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[C@H](CC)CC(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000907581216 981196014 /nfs/dbraw/zinc/19/60/14/981196014.db2.gz HBPDDPUHQDRYQT-GFCCVEGCSA-N -1 0 326.396 3.353 20 30 EGEDRM CCCC[C@@H](ON=C(C)C)C(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC001595651797 982026556 /nfs/dbraw/zinc/02/65/56/982026556.db2.gz KOZZFMDTOAQRJK-CQSZACIVSA-N -1 0 346.387 3.171 20 30 EGEDRM C#Cc1ccc(C(=O)N2CCC[C@H]2c2nc(C(=O)[O-])c(C)s2)cc1 ZINC000910719940 982082098 /nfs/dbraw/zinc/08/20/98/982082098.db2.gz CRHZUKWTUKHXRO-AWEZNQCLSA-N -1 0 340.404 3.108 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1ccc([C@H]2CCCOC2)cc1)C(=O)[O-] ZINC000910923871 982166369 /nfs/dbraw/zinc/16/63/69/982166369.db2.gz WLXOAEFOHKUOMG-IRXDYDNUSA-N -1 0 331.412 3.120 20 30 EGEDRM CCCCCCCNC(=O)Nc1cccc(-n2cc(C(=O)[O-])nn2)c1 ZINC001595704272 982273701 /nfs/dbraw/zinc/27/37/01/982273701.db2.gz BDDJWCQZQWJZID-UHFFFAOYSA-N -1 0 345.403 3.057 20 30 EGEDRM COc1cc(C=NNc2cccc(C(=O)[O-])c2)ccc1OC(F)F ZINC000916255231 982673004 /nfs/dbraw/zinc/67/30/04/982673004.db2.gz LAWGOXQUQVMOFJ-UHFFFAOYSA-N -1 0 336.294 3.441 20 30 EGEDRM N#C[C@@]1(C(=O)NC[C@@H](C(=O)[O-])C2CCCCC2)CC2CCC1CC2 ZINC000923098108 982722493 /nfs/dbraw/zinc/72/24/93/982722493.db2.gz FYOFMZZGTOEULJ-UGSUZCALSA-N -1 0 332.444 3.104 20 30 EGEDRM C#C[C@@H](N[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl)C1CCOCC1 ZINC001588376883 983354383 /nfs/dbraw/zinc/35/43/83/983354383.db2.gz HGYCMXRUDDBNMT-CABCVRRESA-N -1 0 342.222 3.137 20 30 EGEDRM C#C[C@H](Nc1nc(C)cc(C(=O)[O-])n1)c1ccc(Br)cc1 ZINC001588376863 983354562 /nfs/dbraw/zinc/35/45/62/983354562.db2.gz YTIUEAVXKYIBLY-LBPRGKRZSA-N -1 0 346.184 3.032 20 30 EGEDRM C#CC[C@H](NC(=O)C1(c2cccc(Cl)c2)CCCCC1)C(=O)[O-] ZINC001588399276 983415202 /nfs/dbraw/zinc/41/52/02/983415202.db2.gz SSXUEHOJPCCSAP-HNNXBMFYSA-N -1 0 333.815 3.135 20 30 EGEDRM C#CC[C@@H](NC(=O)c1cc(Cl)ccc1SCCCC)C(=O)[O-] ZINC001588413701 983431765 /nfs/dbraw/zinc/43/17/65/983431765.db2.gz GPVHEPITTYRLOJ-CYBMUJFWSA-N -1 0 339.844 3.439 20 30 EGEDRM C#CCOc1ccccc1NC(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001588504490 983547827 /nfs/dbraw/zinc/54/78/27/983547827.db2.gz BQUHPLOFBZXWRP-UHFFFAOYSA-N -1 0 345.742 3.089 20 30 EGEDRM C#Cc1ccc(NC(=O)c2ccccc2S[C@H](C)C(=O)[O-])cc1 ZINC001588517720 983566607 /nfs/dbraw/zinc/56/66/07/983566607.db2.gz FXRKEHLZZDVDNN-GFCCVEGCSA-N -1 0 325.389 3.485 20 30 EGEDRM C#Cc1ccccc1CC(=O)N1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC001588524209 983573998 /nfs/dbraw/zinc/57/39/98/983573998.db2.gz CARIQDCUWJEKSH-OALUTQOASA-N -1 0 333.387 3.027 20 30 EGEDRM C#Cc1ccccc1CC(=O)N[C@@]1(C(=O)[O-])CC[C@@H](C)c2ccccc21 ZINC001588528964 983579261 /nfs/dbraw/zinc/57/92/61/983579261.db2.gz NEWHLCXKCYIGPY-QRQCRPRQSA-N -1 0 347.414 3.204 20 30 EGEDRM C=C(C)C(C)(C)C(=O)NCc1ccc(C(=O)[O-])cc1Br ZINC001588529971 983583149 /nfs/dbraw/zinc/58/31/49/983583149.db2.gz ODYNRMUCMHGXSE-UHFFFAOYSA-N -1 0 340.217 3.366 20 30 EGEDRM C=C(C)[C@H](NC(=O)Nc1cccc(C(=O)[O-])n1)c1ccc(F)c(F)c1 ZINC001588534680 983586245 /nfs/dbraw/zinc/58/62/45/983586245.db2.gz IAVYPCZJWIHBCU-HNNXBMFYSA-N -1 0 347.321 3.497 20 30 EGEDRM C=C(C)C[C@H](C)C(=O)O[C@@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001588536141 983592410 /nfs/dbraw/zinc/59/24/10/983592410.db2.gz PLZKNDATGVWIRI-STQMWFEESA-N -1 0 333.384 3.166 20 30 EGEDRM C=C(C)C[C@H](NC(=O)COc1ccccc1-c1ccccc1)C(=O)[O-] ZINC001588543285 983611292 /nfs/dbraw/zinc/61/12/92/983611292.db2.gz ZVZJIRGVRSCWIM-KRWDZBQOSA-N -1 0 339.391 3.268 20 30 EGEDRM C=C(C)CN(C)C(=O)Nc1nc(-c2ccccc2)c(CC(=O)[O-])s1 ZINC001588561704 983642996 /nfs/dbraw/zinc/64/29/96/983642996.db2.gz YPNDWEPOAUDZBA-UHFFFAOYSA-N -1 0 345.424 3.477 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N1CCCC[C@H]1c1nc2ccccc2n1C ZINC001588615556 983712598 /nfs/dbraw/zinc/71/25/98/983712598.db2.gz YAXSQOFQKXSXJY-INIZCTEOSA-N -1 0 341.411 3.048 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1cccc(-c2ncc3n2CCCC3)c1 ZINC001588634644 983753388 /nfs/dbraw/zinc/75/33/88/983753388.db2.gz ZAGFBCKVCDCVGW-UHFFFAOYSA-N -1 0 339.395 3.246 20 30 EGEDRM C=C1CCC(CNC(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)CC1 ZINC001588650107 983771954 /nfs/dbraw/zinc/77/19/54/983771954.db2.gz YNVHEYFETBSZHR-UHFFFAOYSA-N -1 0 331.412 3.243 20 30 EGEDRM C=CC(C)(C)CCCNC(=O)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC001588673197 983828835 /nfs/dbraw/zinc/82/88/35/983828835.db2.gz MIHTXCKDQVNDGS-CQSZACIVSA-N -1 0 336.354 3.027 20 30 EGEDRM C=CC(C)(C)CCCNS(=O)(=O)c1ccc(Cl)cc1C(=O)[O-] ZINC001588676782 983830904 /nfs/dbraw/zinc/83/09/04/983830904.db2.gz AZPJGWSSXUCCBB-UHFFFAOYSA-N -1 0 345.848 3.309 20 30 EGEDRM C=CC[C@H](Cc1ccccc1)NC(=O)NCc1cc(C(=O)[O-])c(C)o1 ZINC001588744408 984042105 /nfs/dbraw/zinc/04/21/05/984042105.db2.gz KLLHMWNJFLXUCV-OAHLLOKOSA-N -1 0 342.395 3.273 20 30 EGEDRM C=CC[C@H](Sc1nnc(-c2ccc(OC(F)F)cc2)o1)C(=O)[O-] ZINC001588759028 984109558 /nfs/dbraw/zinc/10/95/58/984109558.db2.gz NVUNDVURLVCRDG-JTQLQIEISA-N -1 0 342.323 3.459 20 30 EGEDRM C=CC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC001588770643 984135058 /nfs/dbraw/zinc/13/50/58/984135058.db2.gz BSVMGFCGRVICHA-CZUORRHYSA-N -1 0 337.441 3.106 20 30 EGEDRM C=CC[C@@H]1CCN(C(=O)Nc2cc(C(=O)[O-])cc3cccnc32)C1 ZINC001588773204 984146926 /nfs/dbraw/zinc/14/69/26/984146926.db2.gz XIECENRGVLWGSQ-GFCCVEGCSA-N -1 0 325.368 3.363 20 30 EGEDRM C=CCC[C@H]1CCCN1C(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC001588782036 984169846 /nfs/dbraw/zinc/16/98/46/984169846.db2.gz NESOYNUZAQCWPH-LBPRGKRZSA-N -1 0 328.372 3.224 20 30 EGEDRM C=CCCC[C@H](NC(=O)[C@H](C)Sc1ccc(F)cc1)C(=O)[O-] ZINC001588787827 984188885 /nfs/dbraw/zinc/18/88/85/984188885.db2.gz YJKUTWUDADSEJH-FZMZJTMJSA-N -1 0 325.405 3.232 20 30 EGEDRM C=CCCC[C@@H](NC(=O)[C@@H](C)Sc1ccc(F)cc1)C(=O)[O-] ZINC001588787825 984188924 /nfs/dbraw/zinc/18/89/24/984188924.db2.gz YJKUTWUDADSEJH-BXUZGUMPSA-N -1 0 325.405 3.232 20 30 EGEDRM C=CCCC[C@H](NC(=O)Cc1cccc(Cl)c1Cl)C(=O)[O-] ZINC001588788604 984191612 /nfs/dbraw/zinc/19/16/12/984191612.db2.gz IENCGNXAXDHXIW-LBPRGKRZSA-N -1 0 330.211 3.462 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1cc(C)n(-c2ccc(C)cc2)n1)C(=O)[O-] ZINC001588792502 984209898 /nfs/dbraw/zinc/20/98/98/984209898.db2.gz IWKLFKPPHYHZJJ-MRXNPFEDSA-N -1 0 341.411 3.028 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1c[nH]nc1-c1ccc(Cl)cc1)C(=O)[O-] ZINC001588793106 984215491 /nfs/dbraw/zinc/21/54/91/984215491.db2.gz SLFDCJUGJAMPSR-CQSZACIVSA-N -1 0 347.802 3.269 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1cc(-c2ccc(C)cc2)no1)C(=O)[O-] ZINC001588793290 984217558 /nfs/dbraw/zinc/21/75/58/984217558.db2.gz VQIBSTXAMROULX-CQSZACIVSA-N -1 0 328.368 3.189 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1cc(-c2ccc(C)cc2)no1)C(=O)[O-] ZINC001588793289 984217782 /nfs/dbraw/zinc/21/77/82/984217782.db2.gz VQIBSTXAMROULX-AWEZNQCLSA-N -1 0 328.368 3.189 20 30 EGEDRM C=CCCC[C@@H](NC(=O)Cn1ccc2ccc(Cl)cc21)C(=O)[O-] ZINC001588794129 984224669 /nfs/dbraw/zinc/22/46/69/984224669.db2.gz MCWGGZZZEFVRCC-CQSZACIVSA-N -1 0 334.803 3.220 20 30 EGEDRM C=CCCCCCNC(=O)N1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001588800046 984244029 /nfs/dbraw/zinc/24/40/29/984244029.db2.gz XVIMRZRLSYCRKJ-GFCCVEGCSA-N -1 0 337.445 3.087 20 30 EGEDRM C=CCN(C(C)C)S(=O)(=O)c1ccc(C(=O)[O-])c2ccccc21 ZINC001588820802 984286215 /nfs/dbraw/zinc/28/62/15/984286215.db2.gz SRQUPXKIMYYAFY-UHFFFAOYSA-N -1 0 333.409 3.123 20 30 EGEDRM C=CCN(CC(=O)Nc1ccc(C(=O)[O-])cc1)Cc1cccs1 ZINC001588824001 984295324 /nfs/dbraw/zinc/29/53/24/984295324.db2.gz JXPLJVPNAFQQDV-UHFFFAOYSA-N -1 0 330.409 3.073 20 30 EGEDRM C=CCN(CCc1ccccc1)C(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC001588828698 984308715 /nfs/dbraw/zinc/30/87/15/984308715.db2.gz JREXNCFQLJKWTR-UHFFFAOYSA-N -1 0 327.424 3.279 20 30 EGEDRM C=CCN(Cc1cccc(C#N)c1)[C@@H](C(=O)[O-])c1cccc(OC)c1 ZINC001588832372 984321345 /nfs/dbraw/zinc/32/13/45/984321345.db2.gz GOWDDBFXDJLKCN-LJQANCHMSA-N -1 0 336.391 3.381 20 30 EGEDRM C=CCN(Cc1ccccc1)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC001588832328 984321492 /nfs/dbraw/zinc/32/14/92/984321492.db2.gz CVJXMJINTCUYEI-UHFFFAOYSA-N -1 0 340.379 3.370 20 30 EGEDRM C=CCN(Cc1cccc(C#N)c1)Cn1ncc2cc(C(=O)[O-])ccc21 ZINC001588832815 984326873 /nfs/dbraw/zinc/32/68/73/984326873.db2.gz RRMFEGDBDMCQSN-UHFFFAOYSA-N -1 0 346.390 3.252 20 30 EGEDRM C=CCNc1ncc(C(=O)Nc2cccc(CCC(=O)[O-])c2)s1 ZINC001588849552 984372258 /nfs/dbraw/zinc/37/22/58/984372258.db2.gz YSEGGXSLCKCUBD-UHFFFAOYSA-N -1 0 331.397 3.011 20 30 EGEDRM C=CCOc1cc(OC)ccc1C(=O)Oc1cccc(CC(=O)[O-])c1 ZINC001588869450 984438837 /nfs/dbraw/zinc/43/88/37/984438837.db2.gz AJAICMVDQWNGFS-UHFFFAOYSA-N -1 0 342.347 3.106 20 30 EGEDRM C=CC[S@@](=O)(=NC(=O)c1cc(F)cc(C(=O)[O-])c1)c1ccccc1 ZINC001588878903 984456081 /nfs/dbraw/zinc/45/60/81/984456081.db2.gz NNFVZZKSUGZRLG-DEOSSOPVSA-N -1 0 347.367 3.377 20 30 EGEDRM C=CCn1c(SCC(C)(C)C(=O)[O-])nnc1-c1ccccc1F ZINC001588907293 984538930 /nfs/dbraw/zinc/53/89/30/984538930.db2.gz HWTOXBQNUKEPNM-UHFFFAOYSA-N -1 0 335.404 3.473 20 30 EGEDRM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC001599888868 984670481 /nfs/dbraw/zinc/67/04/81/984670481.db2.gz YNFYEAOYHNPZBI-OAHLLOKOSA-N -1 0 348.402 3.357 20 30 EGEDRM C[C@H]1CN(C)c2ccccc2CN1Cc1cccc(C(=O)[O-])c1C#N ZINC001599927059 985217132 /nfs/dbraw/zinc/21/71/32/985217132.db2.gz MHDDBTRXIRXHEX-AWEZNQCLSA-N -1 0 335.407 3.097 20 30 EGEDRM CC(=O)Nc1ccc(C(C)=NOCc2ccccc2C(=O)[O-])cc1 ZINC001589188587 985585065 /nfs/dbraw/zinc/58/50/65/985585065.db2.gz YCWXIJHQZMLTMF-UHFFFAOYSA-N -1 0 326.352 3.284 20 30 EGEDRM C[C@](C#N)(CCc1ccccc1)NC(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC001589323568 986146654 /nfs/dbraw/zinc/14/66/54/986146654.db2.gz FUJZAONEWMISBR-LHUXKHBRSA-N -1 0 338.363 3.022 20 30 EGEDRM CC(C)(C#N)c1ccc(C(=O)N[C@H]2CCCCC[C@H]2C(=O)[O-])cc1 ZINC001589558880 987311997 /nfs/dbraw/zinc/31/19/97/987311997.db2.gz VGBMGUUSEMWKHN-CVEARBPZSA-N -1 0 328.412 3.251 20 30 EGEDRM CC(C)(C(=O)N[C@H](CC1CCCCC1)C(=O)[O-])c1ccc(C#N)cc1 ZINC001589563555 987325185 /nfs/dbraw/zinc/32/51/85/987325185.db2.gz HFWLWCZQFCJHDD-QGZVFWFLSA-N -1 0 342.439 3.376 20 30 EGEDRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)C[C@H](CC#N)c2ccccc2)C1 ZINC001589605155 987448637 /nfs/dbraw/zinc/44/86/37/987448637.db2.gz GBRDLVRNZNKREM-IRXDYDNUSA-N -1 0 342.439 3.423 20 30 EGEDRM CC(C)(C)C#CC(=O)N[C@@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001589684452 987721202 /nfs/dbraw/zinc/72/12/02/987721202.db2.gz DLZGEGGXJFAOCS-MRXNPFEDSA-N -1 0 342.222 3.459 20 30 EGEDRM CC(C)(C)C#CC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC001589684904 987723685 /nfs/dbraw/zinc/72/36/85/987723685.db2.gz QMIBYBWESOPPME-UHFFFAOYSA-N -1 0 325.364 3.291 20 30 EGEDRM CCc1ccc(C#CC(=O)N[C@@]2(C(=O)[O-])CCCC(C)(C)C2)cc1 ZINC001597495376 988043352 /nfs/dbraw/zinc/04/33/52/988043352.db2.gz UPPGBDMGJJDLRN-FQEVSTJZSA-N -1 0 327.424 3.140 20 30 EGEDRM CCn1c(CN=Nc2cccc(F)c2C(=O)[O-])nc2ccccc21 ZINC001597849097 989575567 /nfs/dbraw/zinc/57/55/67/989575567.db2.gz BTZNXUYCQVSYTH-UHFFFAOYSA-N -1 0 326.331 3.340 20 30 EGEDRM CCn1cc(C(=O)/C=C\c2ccc(C(=O)[O-])cc2Br)cn1 ZINC001597874848 989684416 /nfs/dbraw/zinc/68/44/16/989684416.db2.gz CWRYYIMDLSYQQM-WAYWQWQTSA-N -1 0 349.184 3.260 20 30 EGEDRM CN(C(=O)CC1(C#N)CC1)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001598006967 990162611 /nfs/dbraw/zinc/16/26/11/990162611.db2.gz CZDXFLOVJBRSIV-CYBMUJFWSA-N -1 0 341.194 3.271 20 30 EGEDRM CC(C)(CNC(=O)N[C@@H](CCCC#N)c1ccccc1)CC(=O)[O-] ZINC001590723799 990506087 /nfs/dbraw/zinc/50/60/87/990506087.db2.gz GCLDBCVYEIQTJM-HNNXBMFYSA-N -1 0 331.416 3.222 20 30 EGEDRM CC(C)(Oc1ccccc1)C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001590907479 990874612 /nfs/dbraw/zinc/87/46/12/990874612.db2.gz XYSVGFDLWJPFCL-MRXNPFEDSA-N -1 0 339.347 3.085 20 30 EGEDRM CC(C)C#CC(=O)Nc1ncc(Cc2cccc(C(=O)[O-])c2)s1 ZINC001590927860 990936532 /nfs/dbraw/zinc/93/65/32/990936532.db2.gz LMEFFJKRKIREDP-UHFFFAOYSA-N -1 0 328.393 3.030 20 30 EGEDRM CN(CCc1cccc(C#N)c1)C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001598500366 992427613 /nfs/dbraw/zinc/42/76/13/992427613.db2.gz UZQQUGJTWFKEJI-UHFFFAOYSA-N -1 0 342.782 3.225 20 30 EGEDRM CN(Cc1cc(-c2ccccc2)n[nH]1)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001598504680 992485856 /nfs/dbraw/zinc/48/58/56/992485856.db2.gz BPBFCNNYMWIOTB-IBGZPJMESA-N -1 0 346.390 3.206 20 30 EGEDRM COc1ccc2nc(/C=C/C(=O)c3cc(C(=O)[O-])co3)sc2c1 ZINC001599636518 994297005 /nfs/dbraw/zinc/29/70/05/994297005.db2.gz CDXUNHBYKUWOCD-SNAWJCMRSA-N -1 0 329.333 3.492 20 30 EGEDRM C[C@@H](Nc1ccc(C#N)c([N+](=O)[O-])c1)c1ccc(OCC(=O)[O-])cc1 ZINC001593360008 995021062 /nfs/dbraw/zinc/02/10/62/995021062.db2.gz MOUOQQLZHGRNDI-LLVKDONJSA-N -1 0 341.323 3.103 20 30 EGEDRM C[C@@H](Nc1ccc([N+](=O)[O-])cc1C#N)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593366554 995051185 /nfs/dbraw/zinc/05/11/85/995051185.db2.gz ZEDYMJRSEOXQMU-WBMJQRKESA-N -1 0 339.351 3.210 20 30 EGEDRM C[C@H](OC(=O)[C@@]1(C(=O)[O-])C[C@H]1c1ccccc1)c1ccc(C#N)cc1 ZINC001593491280 995461269 /nfs/dbraw/zinc/46/12/69/995461269.db2.gz MCDSBOOTCNQLCQ-ROOHIHILSA-N -1 0 335.359 3.421 20 30 EGEDRM C[C@H](SCC(=O)Nc1sc2c(c1C#N)CCCCC2)C(=O)[O-] ZINC001593656721 996028011 /nfs/dbraw/zinc/02/80/11/996028011.db2.gz OCUCMBZGOZERJQ-VIFPVBQESA-N -1 0 338.454 3.033 20 30 EGEDRM COc1cc(C(C)=NNc2ccc(C)c(C(=O)[O-])c2)cc(OC)c1O ZINC001599386758 996959799 /nfs/dbraw/zinc/95/97/99/996959799.db2.gz APNTYKOTVBFRGH-UHFFFAOYSA-N -1 0 344.367 3.252 20 30 EGEDRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)c1ccc(F)c(C#N)c1 ZINC001599398504 997172082 /nfs/dbraw/zinc/17/20/82/997172082.db2.gz KWNHVBGCCREPAY-CLTKARDFSA-N -1 0 341.294 3.023 20 30 EGEDRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)C1(C#N)CCCCC1 ZINC001599399784 997193091 /nfs/dbraw/zinc/19/30/91/997193091.db2.gz OSIXDXSSOHZTKY-VURMDHGXSA-N -1 0 329.352 3.172 20 30 EGEDRM COc1ccc([C@@H](C)NCc2cccc(C(=O)[O-])c2C#N)cc1F ZINC001599508386 997252901 /nfs/dbraw/zinc/25/29/01/997252901.db2.gz OCMMSHULHXUULB-LLVKDONJSA-N -1 0 328.343 3.255 20 30 EGEDRM CON(Cc1cccc(C(=O)[O-])c1C#N)[C@@H](C)c1csc(C)n1 ZINC001599319293 997553172 /nfs/dbraw/zinc/55/31/72/997553172.db2.gz UVWMXLZNRIZWCB-JTQLQIEISA-N -1 0 331.397 3.146 20 30 EGEDRM COc1cc(OC(=O)c2ccc(C#N)c(Cl)c2)ccc1C(=O)[O-] ZINC001599448164 998044819 /nfs/dbraw/zinc/04/48/19/998044819.db2.gz QHIYJAWEPQWPAT-UHFFFAOYSA-N -1 0 331.711 3.138 20 30 EGEDRM COC(=O)c1coc(/C=C2/CC/C(=C/c3cc(C(=O)[O-])co3)C2=O)c1 ZINC001599013949 998922463 /nfs/dbraw/zinc/92/24/63/998922463.db2.gz HKYWNNHHZXVAIQ-GGXLTUIBSA-N -1 0 342.303 3.187 20 30 EGEDRM C[C@H]1CCN(CC#Cc2ccc(C(F)(F)F)cc2)[C@H](C(=O)[O-])C1 ZINC001594423606 999582473 /nfs/dbraw/zinc/58/24/73/999582473.db2.gz USSHDFSDUURENG-WFASDCNBSA-N -1 0 325.330 3.242 20 30 EGEDRM CCCN(CC(=O)[O-])c1c(C#N)cnc2ccc(OC(F)F)cc21 ZINC000263419898 283115635 /nfs/dbraw/zinc/11/56/35/283115635.db2.gz PDDZROQZLPJBEW-UHFFFAOYSA-N -1 0 335.310 3.009 20 30 EGEDRM O=C([O-])COc1ccc(/C=C2\CCOc3ccc(F)cc3C2=O)cc1 ZINC000022756619 202091043 /nfs/dbraw/zinc/09/10/43/202091043.db2.gz HJZWOFQRNQDTCA-UKTHLTGXSA-N -1 0 342.322 3.338 20 30 EGEDRM O=C([N-]S(=O)(=O)c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000028874859 202179171 /nfs/dbraw/zinc/17/91/71/202179171.db2.gz DLQRVSFCDQUPNF-UHFFFAOYSA-N -1 0 329.299 3.399 20 30 EGEDRM N#CC(=C([O-])c1ccccc1[N+](=O)[O-])c1ccc(C(F)(F)F)cn1 ZINC000041555729 201092532 /nfs/dbraw/zinc/09/25/32/201092532.db2.gz XTFNZHOFWMFMIH-LLVKDONJSA-N -1 0 335.241 3.499 20 30 EGEDRM C=C[C@](C)(O)CC(=O)Nc1cc(Cl)cc(Br)c1[O-] ZINC000278816874 201311747 /nfs/dbraw/zinc/31/17/47/201311747.db2.gz ILZKXPOTFOHVFC-LBPRGKRZSA-N -1 0 334.597 3.074 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2c(Cl)cccc2Cl)C(=O)O1 ZINC000105639549 204151681 /nfs/dbraw/zinc/15/16/81/204151681.db2.gz LLFYPUWVVHUJBB-GXMNPTEKSA-N -1 0 325.147 3.222 20 30 EGEDRM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2C#N)c1 ZINC000124598485 140929656 /nfs/dbraw/zinc/92/96/56/140929656.db2.gz CTOZEKQPWFNESV-UHFFFAOYSA-N -1 0 332.356 3.091 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2scnc2C2CC2)cc1Cl ZINC000342792157 141147832 /nfs/dbraw/zinc/14/78/32/141147832.db2.gz PFHXCMGFPRYBLN-UHFFFAOYSA-N -1 0 339.829 3.346 20 30 EGEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(SC)c1 ZINC000184765047 144099016 /nfs/dbraw/zinc/09/90/16/144099016.db2.gz QMXKQOROGYXIJM-UHFFFAOYSA-N -1 0 334.422 3.090 20 30 EGEDRM N#Cc1ccc(CCC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC000186050272 144124216 /nfs/dbraw/zinc/12/42/16/144124216.db2.gz NBUWAIGMHXALQC-UHFFFAOYSA-N -1 0 345.742 3.397 20 30 EGEDRM N#Cc1cc(Br)ccc1[N-]S(=O)(=O)c1ccsc1 ZINC000351394580 144263507 /nfs/dbraw/zinc/26/35/07/144263507.db2.gz GQBFJKPLKPZAJO-UHFFFAOYSA-N -1 0 343.227 3.183 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)Nc2ccc(-c3cnco3)cc2)cc1 ZINC000119777911 152227621 /nfs/dbraw/zinc/22/76/21/152227621.db2.gz CVEVUPWZRHKUFK-UHFFFAOYSA-N -1 0 325.349 3.014 20 30 EGEDRM Cc1cccc(OC(F)F)c1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000119985855 152243137 /nfs/dbraw/zinc/24/31/37/152243137.db2.gz MXVPLWAURBKCOI-UHFFFAOYSA-N -1 0 338.335 3.269 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2OC(F)F)o1 ZINC000340999019 155121190 /nfs/dbraw/zinc/12/11/90/155121190.db2.gz TWJUZIHNPUEBIH-UHFFFAOYSA-N -1 0 348.714 3.207 20 30 EGEDRM Cc1nc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)sc1C ZINC000126548013 162307513 /nfs/dbraw/zinc/30/75/13/162307513.db2.gz LNGKFBQOBDANKN-UHFFFAOYSA-N -1 0 327.818 3.086 20 30 EGEDRM CN(Cc1nc(=O)c2sccc2[n-]1)Cc1cccc(C#N)c1F ZINC000343542362 163979947 /nfs/dbraw/zinc/97/99/47/163979947.db2.gz FJEPUVKFUICFJR-UHFFFAOYSA-N -1 0 328.372 3.040 20 30 EGEDRM N#Cc1c(Cl)cccc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000296908405 270042474 /nfs/dbraw/zinc/04/24/74/270042474.db2.gz ZUOJKQAAGCANLE-UHFFFAOYSA-N -1 0 345.752 3.107 20 30 EGEDRM CC(C)n1cc(C#N)c(=NC(=O)c2cc(-c3ccccc3)ns2)[n-]1 ZINC000437034557 270051646 /nfs/dbraw/zinc/05/16/46/270051646.db2.gz FSQOPROUXFNBDF-UHFFFAOYSA-N -1 0 337.408 3.133 20 30 EGEDRM CCCCn1ncc([N-]S(=O)(=O)c2cccc(C#N)c2)c1C(C)C ZINC000480226199 270055535 /nfs/dbraw/zinc/05/55/35/270055535.db2.gz LLJBWJYNNBKUTE-UHFFFAOYSA-N -1 0 346.456 3.479 20 30 EGEDRM Cc1nc(Sc2n[n-]c(=NC3CCCCC3)s2)ccc1C#N ZINC000487908957 270056004 /nfs/dbraw/zinc/05/60/04/270056004.db2.gz MTELLGCTSXOXNG-UHFFFAOYSA-N -1 0 331.470 3.431 20 30 EGEDRM N#Cc1cccnc1[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000191106751 265887860 /nfs/dbraw/zinc/88/78/60/265887860.db2.gz NQNZSMMPXAHZDC-UHFFFAOYSA-N -1 0 328.180 3.061 20 30 EGEDRM CCCCCn1nc(C)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000484437266 267004633 /nfs/dbraw/zinc/00/46/33/267004633.db2.gz IZJYTICPUMPNDJ-UHFFFAOYSA-N -1 0 346.456 3.363 20 30 EGEDRM CCOCc1cc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)ccc1OC ZINC000435344530 267143215 /nfs/dbraw/zinc/14/32/15/267143215.db2.gz VOCFIGLWYAHGLW-WQLSENKSSA-N -1 0 339.395 3.056 20 30 EGEDRM CCOc1ccc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)cc1OCC ZINC000435340197 267158280 /nfs/dbraw/zinc/15/82/80/267158280.db2.gz DVXGLISAMSLEHM-XFXZXTDPSA-N -1 0 339.395 3.308 20 30 EGEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccccc1CC ZINC000488242579 267170004 /nfs/dbraw/zinc/17/00/04/267170004.db2.gz IMJKBCNKKLKGCE-UHFFFAOYSA-N -1 0 330.409 3.320 20 30 EGEDRM CCc1cc(C#N)c([N-]S(=O)(=O)c2cnc(CC)s2)s1 ZINC000515486549 267244779 /nfs/dbraw/zinc/24/47/79/267244779.db2.gz AWIFMNVKMIPUDN-UHFFFAOYSA-N -1 0 327.456 3.002 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccn2)ccc1C#N ZINC000446758348 268017938 /nfs/dbraw/zinc/01/79/38/268017938.db2.gz IAEDUADBYBTVPD-UHFFFAOYSA-N -1 0 341.314 3.081 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2nc(-c3cccs3)ns2)cc1[O-] ZINC000188775636 268048828 /nfs/dbraw/zinc/04/88/28/268048828.db2.gz DJBVZXFGODCMIW-UHFFFAOYSA-N -1 0 328.378 3.096 20 30 EGEDRM Cc1cc(Cl)c2ncc(C#N)c(N3CC[C@@](C)(C(=O)[O-])C3)c2c1 ZINC000263398339 301285608 /nfs/dbraw/zinc/28/56/08/301285608.db2.gz IEYMHCICDKJPTN-QGZVFWFLSA-N -1 0 329.787 3.369 20 30 EGEDRM N#Cc1ccccc1[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000538373064 314243084 /nfs/dbraw/zinc/24/30/84/314243084.db2.gz VRKSTVLTNLZFAJ-UHFFFAOYSA-N -1 0 341.417 3.483 20 30 EGEDRM CCOc1cc(-c2noc(-c3ccc(C#N)[nH]3)n2)cc(Cl)c1[O-] ZINC000350789859 324120004 /nfs/dbraw/zinc/12/00/04/324120004.db2.gz AEMVULIDBZYDAE-UHFFFAOYSA-N -1 0 330.731 3.361 20 30 EGEDRM N#Cc1csc(CN=c2[n-]nc(-c3cc4c(s3)CCCC4)o2)n1 ZINC000576201735 324565479 /nfs/dbraw/zinc/56/54/79/324565479.db2.gz LKOAEBNGKMMYMJ-UHFFFAOYSA-N -1 0 343.437 3.039 20 30 EGEDRM C[C@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000183128145 455235022 /nfs/dbraw/zinc/23/50/22/455235022.db2.gz LJJORISVIAKQNW-CYBMUJFWSA-N -1 0 342.420 3.267 20 30 EGEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)CC1(CC(=O)[O-])CCC1 ZINC000634895382 460587063 /nfs/dbraw/zinc/58/70/63/460587063.db2.gz CAOWAFDDCREZCY-UHFFFAOYSA-N -1 0 331.412 3.245 20 30 EGEDRM C=CC1CCN(C(=O)C[C@]2(C(=O)[O-])CCCc3ccccc32)CC1 ZINC000634904594 460593711 /nfs/dbraw/zinc/59/37/11/460593711.db2.gz SUKIJQGQPAEWSZ-HXUWFJFHSA-N -1 0 327.424 3.160 20 30 EGEDRM N#CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000018895556 453652399 /nfs/dbraw/zinc/65/23/99/453652399.db2.gz BODFRGBUQQQYDU-UHFFFAOYSA-N -1 0 328.802 3.105 20 30 EGEDRM N#CCc1cccc(C(=O)[N-]S(=O)(=O)Cc2ccccc2Cl)c1 ZINC000083791709 453959723 /nfs/dbraw/zinc/95/97/23/453959723.db2.gz TUBHEERYNVQLOC-UHFFFAOYSA-N -1 0 348.811 3.241 20 30 EGEDRM C[S@@](=O)Cc1cccc(C([O-])=C(C#N)c2nc3ccccc3o2)c1 ZINC000041542189 453971699 /nfs/dbraw/zinc/97/16/99/453971699.db2.gz TWLJLEBSITVSRV-BSEYFRJRSA-N -1 0 338.388 3.196 20 30 EGEDRM CCN(CCC#N)C(=O)c1nn(-c2cccc(C(C)C)c2)cc1[O-] ZINC000084408970 453987893 /nfs/dbraw/zinc/98/78/93/453987893.db2.gz OUKOLGANHGCBIZ-UHFFFAOYSA-N -1 0 326.400 3.077 20 30 EGEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000057125708 454104318 /nfs/dbraw/zinc/10/43/18/454104318.db2.gz UCXOPLIALBZDBM-UHFFFAOYSA-N -1 0 336.800 3.411 20 30 EGEDRM N#CC(=C([O-])c1cc2c(s1)CCOC2)c1cnc2ccccc2n1 ZINC000190903021 455401538 /nfs/dbraw/zinc/40/15/38/455401538.db2.gz CDTFMTXKUVCLTB-GFCCVEGCSA-N -1 0 335.388 3.254 20 30 EGEDRM Cc1ccc(F)c(S(=O)(=O)[N-]c2ncccc2OCCCC#N)c1 ZINC000069677255 454132436 /nfs/dbraw/zinc/13/24/36/454132436.db2.gz SBMQYOUGMQRHPF-UHFFFAOYSA-N -1 0 349.387 3.013 20 30 EGEDRM N#Cc1nc(NC(=O)c2cccc(OC3CCCCC3)c2)[n-]c1C#N ZINC000130397225 454195816 /nfs/dbraw/zinc/19/58/16/454195816.db2.gz DPZSHIDQPOWBKP-UHFFFAOYSA-N -1 0 335.367 3.117 20 30 EGEDRM Cn1cc(S(=O)(=O)[N-]C(=O)[C@H]2CC2(Cl)Cl)c2ccccc21 ZINC000095446121 454213664 /nfs/dbraw/zinc/21/36/64/454213664.db2.gz YWLHYTUXPPSUBK-SECBINFHSA-N -1 0 347.223 3.017 20 30 EGEDRM C=C(C)COc1cccc([N-]S(=O)(=O)c2cn(C(C)C)cn2)c1 ZINC000131936407 454300171 /nfs/dbraw/zinc/30/01/71/454300171.db2.gz HZVXEPKHLZUVAB-UHFFFAOYSA-N -1 0 335.429 3.220 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]C(=O)Cc2cccc(F)c2F)c(C)o1 ZINC000097035239 454391650 /nfs/dbraw/zinc/39/16/50/454391650.db2.gz JRXCQPCCPWNPDD-UHFFFAOYSA-N -1 0 329.324 3.063 20 30 EGEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000064479139 454484926 /nfs/dbraw/zinc/48/49/26/454484926.db2.gz ZNNASDDHCYMHSH-UHFFFAOYSA-N -1 0 342.420 3.246 20 30 EGEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(Cl)ccc1C ZINC000064478980 454485292 /nfs/dbraw/zinc/48/52/92/454485292.db2.gz YRTGZLYWEFMEHU-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM CC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000048513935 454495211 /nfs/dbraw/zinc/49/52/11/454495211.db2.gz YIDQEAKWHWGNSI-UHFFFAOYSA-N -1 0 334.319 3.268 20 30 EGEDRM O=C([N-]S(=O)(=O)C1CCCCC1)c1cccc(Br)c1 ZINC000049513820 454550063 /nfs/dbraw/zinc/55/00/63/454550063.db2.gz PYRCYHFHTCTECT-UHFFFAOYSA-N -1 0 346.246 3.416 20 30 EGEDRM CC[C@H](CNC(=O)c1cc(C#N)c(SC)[n-]c1=O)c1ccccc1 ZINC000074344859 454567562 /nfs/dbraw/zinc/56/75/62/454567562.db2.gz PLRCEKHWKGBZRO-GFCCVEGCSA-N -1 0 341.436 3.304 20 30 EGEDRM COCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc([O-])c(Cl)c1 ZINC000123548421 454651884 /nfs/dbraw/zinc/65/18/84/454651884.db2.gz UMXOPNLVNWNWTK-UHFFFAOYSA-N -1 0 344.798 3.206 20 30 EGEDRM N#Cc1ccc(NCC(=O)Nc2ccc(O)c(C(F)(F)F)c2)cc1 ZINC000125401259 454818334 /nfs/dbraw/zinc/81/83/34/454818334.db2.gz YHFCUXKOQYZRAI-UHFFFAOYSA-N -1 0 335.285 3.333 20 30 EGEDRM CC(C)c1csc(C(C#N)=C([O-])c2ccc(S(C)(=O)=O)cc2)n1 ZINC000177747558 454898834 /nfs/dbraw/zinc/89/88/34/454898834.db2.gz RVWCLVXYTNMFHO-CYBMUJFWSA-N -1 0 348.449 3.160 20 30 EGEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(F)c(F)c(F)c2)c1 ZINC000177997548 454925436 /nfs/dbraw/zinc/92/54/36/454925436.db2.gz GKMFXPBTTKCEKK-UHFFFAOYSA-N -1 0 346.717 3.430 20 30 EGEDRM N#CC(=C([O-])c1cccc2c1OCO2)c1nc(-c2ccncc2)cs1 ZINC000114620972 454964546 /nfs/dbraw/zinc/96/45/46/454964546.db2.gz AZKGYGMOFWNHRW-ZDUSSCGKSA-N -1 0 349.371 3.424 20 30 EGEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1nc2c(s1)CCCCC2 ZINC000114850049 454983792 /nfs/dbraw/zinc/98/37/92/454983792.db2.gz FBJLHXPOOSTOGH-UHFFFAOYSA-N -1 0 347.465 3.393 20 30 EGEDRM COCc1nc(C)c(C([O-])=C(C#N)c2nc3ccccc3o2)s1 ZINC000179009075 454998400 /nfs/dbraw/zinc/99/84/00/454998400.db2.gz SYLUCVNZMHEQEQ-JTQLQIEISA-N -1 0 327.365 3.229 20 30 EGEDRM N#CCCN(Cc1cccnc1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000159035517 455347005 /nfs/dbraw/zinc/34/70/05/455347005.db2.gz QTQBNKNYJJVUNJ-UHFFFAOYSA-N -1 0 346.774 3.265 20 30 EGEDRM C=C[C@@H](CC(=O)Nc1cccc(OCC(=O)[O-])c1)c1ccccc1 ZINC000190914729 455404352 /nfs/dbraw/zinc/40/43/52/455404352.db2.gz NTJZHNQAEFDLEH-AWEZNQCLSA-N -1 0 325.364 3.448 20 30 EGEDRM Cc1c(C([O-])=C(C#N)c2cnc3ccccc3n2)cccc1[N+](=O)[O-] ZINC000190942100 455411441 /nfs/dbraw/zinc/41/14/41/455411441.db2.gz AHHMTOBKZGCGIB-ZDUSSCGKSA-N -1 0 332.319 3.337 20 30 EGEDRM CCSc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2OC)c1 ZINC000184855504 455461308 /nfs/dbraw/zinc/46/13/08/455461308.db2.gz VFJUQDPRVIQTMR-UHFFFAOYSA-N -1 0 348.449 3.480 20 30 EGEDRM N#CCc1ccc([N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)cc1 ZINC000185188387 455518004 /nfs/dbraw/zinc/51/80/04/455518004.db2.gz KCBHGWMUFCXPNF-UHFFFAOYSA-N -1 0 329.356 3.174 20 30 EGEDRM N#C[C@H](NC(=O)c1cc(F)c(F)c([O-])c1F)c1ccccc1Cl ZINC000186349443 455749445 /nfs/dbraw/zinc/74/94/45/455749445.db2.gz DQNFNKCKBJSVPX-NSHDSACASA-N -1 0 340.688 3.458 20 30 EGEDRM CCc1cc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)n[nH]1 ZINC000193282659 455750668 /nfs/dbraw/zinc/75/06/68/455750668.db2.gz UUVARBAVKSOOSZ-SNVBAGLBSA-N -1 0 329.310 3.207 20 30 EGEDRM CC[C@@H](CC#N)NC(=O)C(F)(F)c1ccccc1Br ZINC000294911140 455832343 /nfs/dbraw/zinc/83/23/43/455832343.db2.gz IGGVKLPVZUPJNJ-VIFPVBQESA-N -1 0 331.160 3.349 20 30 EGEDRM N#CCCCOc1cccnc1NC(=O)c1cc(F)c([O-])c(F)c1 ZINC000186771627 455834420 /nfs/dbraw/zinc/83/44/20/455834420.db2.gz DHEBOGYNVRPCNY-UHFFFAOYSA-N -1 0 333.294 3.000 20 30 EGEDRM Cc1ncc(CO)c(/C=N/[C@@H]2CCCOc3c(F)cccc32)c1O ZINC000272085124 455842094 /nfs/dbraw/zinc/84/20/94/455842094.db2.gz CHQSAGGVXWNOBO-MSGYXIIISA-N -1 0 330.359 3.060 20 30 EGEDRM N#Cc1ccc(N2CCC[C@@H](CCC(=O)[O-])C2)c(Br)c1 ZINC000213280068 456024296 /nfs/dbraw/zinc/02/42/96/456024296.db2.gz XTWWGAVXEBEOFY-NSHDSACASA-N -1 0 337.217 3.402 20 30 EGEDRM C=CCOc1cc(OC)ccc1C(=O)NCC1(C(=O)[O-])CCCCC1 ZINC000262907341 456068214 /nfs/dbraw/zinc/06/82/14/456068214.db2.gz GXRQZPSJGRQPOP-UHFFFAOYSA-N -1 0 347.411 3.025 20 30 EGEDRM CC(C)(C#N)c1ccc(NC(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)cc1 ZINC000263460135 456151461 /nfs/dbraw/zinc/15/14/61/456151461.db2.gz DHISICKMPLHVRQ-IFXJQAMLSA-N -1 0 341.411 3.206 20 30 EGEDRM COCCOCc1ccc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)cc1 ZINC000290003556 456213728 /nfs/dbraw/zinc/21/37/28/456213728.db2.gz VHXBLAFWYHCRIH-JLHYYAGUSA-N -1 0 339.395 3.086 20 30 EGEDRM N#Cc1ccc(C(=O)N2CCc3c2cccc3C(F)(F)F)cc1[O-] ZINC000189212993 456255990 /nfs/dbraw/zinc/25/59/90/456255990.db2.gz JSLHFOIUCTVOKH-UHFFFAOYSA-N -1 0 332.281 3.486 20 30 EGEDRM N#Cc1ccc(C(=O)N2CCN(C3CC3)c3ccc(F)cc32)cc1[O-] ZINC000189222787 456258830 /nfs/dbraw/zinc/25/88/30/456258830.db2.gz WDSAOMKOKFKJGT-UHFFFAOYSA-N -1 0 337.354 3.032 20 30 EGEDRM COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C#N)cc1Cl ZINC000352904872 456403234 /nfs/dbraw/zinc/40/32/34/456403234.db2.gz ZIBNGHYJGCVYLW-UHFFFAOYSA-N -1 0 340.763 3.160 20 30 EGEDRM C=CCCS(=O)(=O)Nc1ccc(F)cc1OCCC(F)(F)F ZINC000282116120 456415509 /nfs/dbraw/zinc/41/55/09/456415509.db2.gz KDUYZFCXKMGCKB-UHFFFAOYSA-N -1 0 341.326 3.475 20 30 EGEDRM C=C(C)CN(Cc1ccccc1)C(=O)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000352958904 456424885 /nfs/dbraw/zinc/42/48/85/456424885.db2.gz SFIPSRQWXSKHKK-UHFFFAOYSA-N -1 0 349.390 3.248 20 30 EGEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000340740811 456661087 /nfs/dbraw/zinc/66/10/87/456661087.db2.gz PPHALIHQNBCXAN-UHFFFAOYSA-N -1 0 340.763 3.160 20 30 EGEDRM C=CCc1cc(C(=O)NCCCCCCC(=O)[O-])cc(OC)c1OC ZINC000299382549 456675825 /nfs/dbraw/zinc/67/58/25/456675825.db2.gz WYZIPWAKJLDAFU-UHFFFAOYSA-N -1 0 349.427 3.197 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2cnc(C(F)(F)F)c(C#N)c2)n1 ZINC000344634676 456842869 /nfs/dbraw/zinc/84/28/69/456842869.db2.gz LZWOAUWWSFSRDG-SNVBAGLBSA-N -1 0 336.298 3.227 20 30 EGEDRM CCn1nncc1C([O-])=C(C#N)c1nc(-c2ccc(C)cc2)cs1 ZINC000344792390 456859649 /nfs/dbraw/zinc/85/96/49/456859649.db2.gz USCAEEJEWBAIBK-CYBMUJFWSA-N -1 0 337.408 3.220 20 30 EGEDRM N#CCc1cccc(C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)c1 ZINC000345842764 457001264 /nfs/dbraw/zinc/00/12/64/457001264.db2.gz FVWUMRGJKQQKCL-UHFFFAOYSA-N -1 0 338.363 3.249 20 30 EGEDRM N#CC[C@H](CC(=O)N=c1nc(-c2cccnc2)[n-]s1)c1ccccc1 ZINC000359905392 457141179 /nfs/dbraw/zinc/14/11/79/457141179.db2.gz UENQGEVBYYGPSD-CQSZACIVSA-N -1 0 349.419 3.048 20 30 EGEDRM C=CCn1c(-c2ccc3ccccc3n2)n[n-]c1=Nc1c(C)n[nH]c1C ZINC000351114431 457225277 /nfs/dbraw/zinc/22/52/77/457225277.db2.gz KHJYVGVGJFCFHL-UHFFFAOYSA-N -1 0 345.410 3.185 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)c2ccncn2)nn1-c1cc(C)cc(C)c1 ZINC000354456948 457235275 /nfs/dbraw/zinc/23/52/75/457235275.db2.gz BXLARIJCQULVKB-INIZCTEOSA-N -1 0 331.379 3.078 20 30 EGEDRM Cc1ccc(Cc2nc(C([O-])=C(C#N)c3ccncn3)cs2)cc1 ZINC000354460623 457238115 /nfs/dbraw/zinc/23/81/15/457238115.db2.gz DTPJXFRXUAZIPU-CQSZACIVSA-N -1 0 334.404 3.322 20 30 EGEDRM Cc1nc(-c2cccs2)sc1C([O-])=C(C#N)c1ccncn1 ZINC000354464637 457240901 /nfs/dbraw/zinc/24/09/01/457240901.db2.gz IUYNROJNYCVRKI-JTQLQIEISA-N -1 0 326.406 3.460 20 30 EGEDRM CC(C)c1noc(-c2ccccc2C([O-])=C(C#N)c2ccncn2)n1 ZINC000354470533 457245053 /nfs/dbraw/zinc/24/50/53/457245053.db2.gz SIYPHSPFNZZJFS-CQSZACIVSA-N -1 0 333.351 3.140 20 30 EGEDRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)NCC(C)(C)CCC#N)n1 ZINC000360426628 457308423 /nfs/dbraw/zinc/30/84/23/457308423.db2.gz RQQYVVLXUWXRNW-UHFFFAOYSA-N -1 0 344.390 3.085 20 30 EGEDRM CCOC(=O)c1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)cc1 ZINC000355108844 457343155 /nfs/dbraw/zinc/34/31/55/457343155.db2.gz SYZXPGABQLHWTB-CQSZACIVSA-N -1 0 334.331 3.495 20 30 EGEDRM Cc1cc([N-]S(=O)(=O)c2cncc(C#N)c2)ccc1C(F)(F)F ZINC000357141963 457344455 /nfs/dbraw/zinc/34/44/55/457344455.db2.gz AWAHBAYGGKMZPB-UHFFFAOYSA-N -1 0 341.314 3.081 20 30 EGEDRM CC(C)(C)c1[n-]n(Cc2nc3cccnc3s2)c(=O)c1CCC#N ZINC000352342218 457357394 /nfs/dbraw/zinc/35/73/94/457357394.db2.gz PMLXANOYQMDFSU-UHFFFAOYSA-N -1 0 341.440 3.395 20 30 EGEDRM CC(C)Oc1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)cn1 ZINC000361523912 457770109 /nfs/dbraw/zinc/77/01/09/457770109.db2.gz HHRAVBXOWDPZFE-AWEZNQCLSA-N -1 0 332.363 3.302 20 30 EGEDRM C=CCOc1ccc(CN[C@H](C(=O)[O-])c2cccs2)cc1OC ZINC000426778879 457899818 /nfs/dbraw/zinc/89/98/18/457899818.db2.gz BNCBKKHEFNJLLK-INIZCTEOSA-N -1 0 333.409 3.237 20 30 EGEDRM COc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000427108137 457945203 /nfs/dbraw/zinc/94/52/03/457945203.db2.gz BOLIEHMTVNUJJI-UHFFFAOYSA-N -1 0 340.763 3.160 20 30 EGEDRM COc1nc(C)ccc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000362120172 458030820 /nfs/dbraw/zinc/03/08/20/458030820.db2.gz UWORLERYPBABCT-LBPRGKRZSA-N -1 0 335.285 3.303 20 30 EGEDRM C=CCCCS(=O)(=O)[N-]c1nc2c(s1)COc1ccccc1-2 ZINC000427767254 458032456 /nfs/dbraw/zinc/03/24/56/458032456.db2.gz OWRJGCBHMHZJNO-UHFFFAOYSA-N -1 0 336.438 3.410 20 30 EGEDRM CC[C@@H](C)n1nc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)cc1C ZINC000435715334 458188397 /nfs/dbraw/zinc/18/83/97/458188397.db2.gz PQBYDMGGXHUCSW-GFCCVEGCSA-N -1 0 332.429 3.143 20 30 EGEDRM COc1ccc2c(c1[N-]S(=O)(=O)c1ccc(C#N)c(C)c1)CCC2 ZINC000435715932 458189449 /nfs/dbraw/zinc/18/94/49/458189449.db2.gz CZYPYUPBDBSEQA-UHFFFAOYSA-N -1 0 342.420 3.165 20 30 EGEDRM CCC(=O)c1ccc([O-])c(NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)c1 ZINC000436653751 458353485 /nfs/dbraw/zinc/35/34/85/458353485.db2.gz VIDBCMXOZRNGNW-GFCCVEGCSA-N -1 0 338.363 3.263 20 30 EGEDRM C=CCC1(CNC(=O)N=c2[n-]nc(C(F)(F)F)s2)CCCC1 ZINC000454302506 458557438 /nfs/dbraw/zinc/55/74/38/458557438.db2.gz LEHAAZXVWWAORC-UHFFFAOYSA-N -1 0 334.367 3.237 20 30 EGEDRM CCC(CC)(CNC(=O)Nc1ccc(OC(C)C)c(C#N)c1)C(=O)[O-] ZINC000424386377 458630917 /nfs/dbraw/zinc/63/09/17/458630917.db2.gz VLXWNXUPKLOFGU-UHFFFAOYSA-N -1 0 347.415 3.358 20 30 EGEDRM C=C(C)[C@@H](NC(=O)NCCC(C)(C)C(=O)[O-])c1ccc(F)c(F)c1 ZINC000424451188 458646587 /nfs/dbraw/zinc/64/65/87/458646587.db2.gz OKCFLKSQLWKQJA-CQSZACIVSA-N -1 0 340.370 3.382 20 30 EGEDRM COc1cc([N+](=O)[O-])ccc1C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000495210224 458813366 /nfs/dbraw/zinc/81/33/66/458813366.db2.gz DCWIQJCQDYGLIO-GFCCVEGCSA-N -1 0 337.291 3.235 20 30 EGEDRM C=CCOc1ccccc1CNC(=O)CC1(C(=O)[O-])CCCCC1 ZINC000518449200 458869426 /nfs/dbraw/zinc/86/94/26/458869426.db2.gz BQZSMZBTIZDYTL-UHFFFAOYSA-N -1 0 331.412 3.293 20 30 EGEDRM N#C[C@@H]1CC[C@H](Sc2n[n-]c(=NCCc3ccccc3)s2)C1 ZINC000556235232 458940000 /nfs/dbraw/zinc/94/00/00/458940000.db2.gz YNYWVMIPTBNYGY-KGLIPLIRSA-N -1 0 330.482 3.399 20 30 EGEDRM N#CC(=C([O-])c1cc2n(n1)CCC2)c1nc2ccccc2n1C(F)F ZINC000577826534 459102542 /nfs/dbraw/zinc/10/25/42/459102542.db2.gz JSZCSNZOQXRULC-NSHDSACASA-N -1 0 341.321 3.064 20 30 EGEDRM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)NCC1(C#N)CCCCC1 ZINC000594689906 459130841 /nfs/dbraw/zinc/13/08/41/459130841.db2.gz BFWLNUDUWVIVTI-OAHLLOKOSA-N -1 0 343.427 3.145 20 30 EGEDRM C=CCC[C@@H](NC(=O)N[C@H](C)c1ccc(OC(F)F)cc1)C(=O)[O-] ZINC000578116982 459148815 /nfs/dbraw/zinc/14/88/15/459148815.db2.gz DRZMJQIMBFQNBY-ZWNOBZJWSA-N -1 0 342.342 3.068 20 30 EGEDRM C=C(C)COc1cccc(NC(=O)N[C@@H](CC(F)(F)F)C(=O)[O-])c1 ZINC000559586995 459267405 /nfs/dbraw/zinc/26/74/05/459267405.db2.gz XVPIRXJNUVYAPE-LBPRGKRZSA-N -1 0 346.305 3.169 20 30 EGEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccc3nccnc3n2)s1 ZINC000560371010 459333152 /nfs/dbraw/zinc/33/31/52/459333152.db2.gz MDMIZTBTQAJAHH-SNVBAGLBSA-N -1 0 337.408 3.269 20 30 EGEDRM C=C(C)COc1cc(CN=c2[n-]nc(CCC)s2)ccc1OC ZINC000537507026 459366160 /nfs/dbraw/zinc/36/61/60/459366160.db2.gz PPJXZRYCOXVVIM-UHFFFAOYSA-N -1 0 333.457 3.488 20 30 EGEDRM C=CCN(C(=O)Nc1ccc(C#N)cc1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000582463801 459369173 /nfs/dbraw/zinc/36/91/73/459369173.db2.gz DUVOMLZBFWROBL-GOSISDBHSA-N -1 0 349.390 3.274 20 30 EGEDRM C=C(C)[C@H]1OCC[C@@H]1CN=c1[n-]nc(Cc2ccc(F)cc2)s1 ZINC000569383820 459443550 /nfs/dbraw/zinc/44/35/50/459443550.db2.gz YXNMTKPQKKXIDD-CZUORRHYSA-N -1 0 333.432 3.083 20 30 EGEDRM C=CCOc1ccc(CNC(=O)N=c2nc(C(C)(C)C)[n-]s2)cc1 ZINC000562146052 459514046 /nfs/dbraw/zinc/51/40/46/459514046.db2.gz UXTOIOSOEDYURQ-UHFFFAOYSA-N -1 0 346.456 3.144 20 30 EGEDRM Cc1cc(C)cc(-c2n[n-]c(=NC(=O)c3ccc(C#N)s3)s2)c1 ZINC000487012628 459525278 /nfs/dbraw/zinc/52/52/78/459525278.db2.gz JNRWXFCKUSVJBH-UHFFFAOYSA-N -1 0 340.433 3.429 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)N2CC(C)(C)[C@@H]3CCC[C@H]32)cc1C#N ZINC000573638590 459709953 /nfs/dbraw/zinc/70/99/53/459709953.db2.gz SBTVUKQFZSGZBE-CHWSQXEVSA-N -1 0 331.441 3.031 20 30 EGEDRM CCOc1ccc(NS(=O)(=O)CCC(C)(C)C#N)c2ncccc12 ZINC000573687554 459718655 /nfs/dbraw/zinc/71/86/55/459718655.db2.gz BCIAOAINANOKGW-UHFFFAOYSA-N -1 0 347.440 3.315 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)N2c3ccccc3CC[C@H]2C)cc1C#N ZINC000596679848 459725819 /nfs/dbraw/zinc/72/58/19/459725819.db2.gz SZFPQLHBIQTNMB-LLVKDONJSA-N -1 0 339.420 3.362 20 30 EGEDRM C=CCC[C@@H](NC(=O)/C=C\c1ccc(OC(C)C)c(OC)c1)C(=O)[O-] ZINC000493201074 459736571 /nfs/dbraw/zinc/73/65/71/459736571.db2.gz PDKDYSYWEBRSHP-ZHUYAKLQSA-N -1 0 347.411 3.031 20 30 EGEDRM C=C(C)Cn1c(Cc2ccsc2)n[n-]c1=Nc1c(C)nn(C)c1C ZINC000574212101 459791762 /nfs/dbraw/zinc/79/17/62/459791762.db2.gz TVNWONMDETUMJX-UHFFFAOYSA-N -1 0 342.472 3.022 20 30 EGEDRM N#CCN(C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-])C1CCCC1 ZINC000597276817 459902944 /nfs/dbraw/zinc/90/29/44/459902944.db2.gz RVEATZNMJPUMEH-UHFFFAOYSA-N -1 0 344.802 3.140 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cnc(C3CC3)s2)n1 ZINC000609256788 459931690 /nfs/dbraw/zinc/93/16/90/459931690.db2.gz SIOYYEIOPDVYJB-VIFPVBQESA-N -1 0 347.421 3.144 20 30 EGEDRM Cc1ccc(-c2cc(=NC(=O)c3cc4ccccc4n3CC#N)[nH][n-]2)o1 ZINC000618600423 460082334 /nfs/dbraw/zinc/08/23/34/460082334.db2.gz HLSYQVKWAYKMJE-UHFFFAOYSA-N -1 0 345.362 3.131 20 30 EGEDRM CC(C)C[C@@H](C)n1nccc1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000589586346 460106005 /nfs/dbraw/zinc/10/60/05/460106005.db2.gz CUULEMNITPQFFA-CQSZACIVSA-N -1 0 346.456 3.357 20 30 EGEDRM N#CCc1cccc(S(=O)(=O)[N-]c2noc3cc(Cl)ccc32)c1 ZINC000589593261 460108104 /nfs/dbraw/zinc/10/81/04/460108104.db2.gz GOCGTYMSXKYGKR-UHFFFAOYSA-N -1 0 347.783 3.348 20 30 EGEDRM CCCCCN(Cc1ccc(F)cc1)C(=O)N=c1[n-]n(C)cc1C#N ZINC000610561903 460184336 /nfs/dbraw/zinc/18/43/36/460184336.db2.gz FTBGGPVUACNNBZ-UHFFFAOYSA-N -1 0 343.406 3.077 20 30 EGEDRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N([C@H](C)C#N)C3CC3)n2)c1 ZINC000598137646 460185801 /nfs/dbraw/zinc/18/58/01/460185801.db2.gz MFSUMMQFIHTGAK-CYBMUJFWSA-N -1 0 338.411 3.218 20 30 EGEDRM CCCSc1nc(=NC(=O)N[C@@H](C)c2cccc(C#N)c2)s[n-]1 ZINC000610781254 460236164 /nfs/dbraw/zinc/23/61/64/460236164.db2.gz DLMGUWWDEZMPMO-JTQLQIEISA-N -1 0 347.469 3.216 20 30 EGEDRM COc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(CC#N)cc1 ZINC000603492550 460312454 /nfs/dbraw/zinc/31/24/54/460312454.db2.gz VLKRJZMTCUCYOZ-UHFFFAOYSA-N -1 0 336.800 3.215 20 30 EGEDRM COc1ccc(NC(=O)c2ccc(C#N)c([O-])c2)c(Br)c1 ZINC000615428155 460326987 /nfs/dbraw/zinc/32/69/87/460326987.db2.gz CACGMADKYPNBJE-UHFFFAOYSA-N -1 0 347.168 3.287 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2ccc3c(cnn3C(F)F)c2)cc1[O-] ZINC000615429126 460327023 /nfs/dbraw/zinc/32/70/23/460327023.db2.gz RFBPDDLEAFQNDM-UHFFFAOYSA-N -1 0 328.278 3.261 20 30 EGEDRM N#Cc1cccc(C[NH2+][C@H](C(=O)[O-])c2cccc(Br)c2)c1 ZINC000617345452 460822384 /nfs/dbraw/zinc/82/23/84/460822384.db2.gz SQZBNOUFTQQJCX-HNNXBMFYSA-N -1 0 345.196 3.236 20 30 EGEDRM CC(C)(CCC#N)CNC(=O)[C@](C)(CC(=O)[O-])c1ccc(F)cc1 ZINC000601981501 460969469 /nfs/dbraw/zinc/96/94/69/460969469.db2.gz FLBPJYOKFQNVII-GOSISDBHSA-N -1 0 334.391 3.004 20 30 EGEDRM C=CCC[C@H](NC(=O)CCc1ccccc1C(F)(F)F)C(=O)[O-] ZINC000630180688 461052550 /nfs/dbraw/zinc/05/25/50/461052550.db2.gz DYIHEGNGOONSGN-ZDUSSCGKSA-N -1 0 329.318 3.174 20 30 EGEDRM C=CCC1(C(=O)N2CCC(c3ncc(C(=O)[O-])s3)CC2)CCC1 ZINC000630244453 461072457 /nfs/dbraw/zinc/07/24/57/461072457.db2.gz IGPTXFTWSZBYPM-UHFFFAOYSA-N -1 0 334.441 3.294 20 30 EGEDRM C=C(C)C[C@H](NC(=O)CCc1c(Cl)cccc1Cl)C(=O)[O-] ZINC000630322809 461094556 /nfs/dbraw/zinc/09/45/56/461094556.db2.gz WKIVPSICQUAUNU-ZDUSSCGKSA-N -1 0 330.211 3.462 20 30 EGEDRM C=C(C)C[C@H](NC(=O)[C@H](C)c1ccc(Br)cc1)C(=O)[O-] ZINC000630319936 461094810 /nfs/dbraw/zinc/09/48/10/461094810.db2.gz LJEFXESJURJJSR-MFKMUULPSA-N -1 0 340.217 3.088 20 30 EGEDRM C=C(C)C[C@H](NC(=O)CCc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000630319939 461095093 /nfs/dbraw/zinc/09/50/93/461095093.db2.gz LJPZXWVYEGTPRM-ZDUSSCGKSA-N -1 0 329.318 3.174 20 30 EGEDRM C=CCOc1ccc(CN[C@H](C)c2nc(C(=O)[O-])cs2)cc1OC ZINC000630463315 461136292 /nfs/dbraw/zinc/13/62/92/461136292.db2.gz AUWMPHOARHFLCX-LLVKDONJSA-N -1 0 348.424 3.266 20 30 EGEDRM C=C[C@H](CC(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1)c1ccccc1 ZINC000659204370 461222767 /nfs/dbraw/zinc/22/27/67/461222767.db2.gz WKFMTTHWPHSANN-CYBMUJFWSA-N -1 0 327.384 3.001 20 30 EGEDRM C=CCC1(C(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)CCCCC1 ZINC000648251914 462029806 /nfs/dbraw/zinc/02/98/06/462029806.db2.gz NNLKTYZYLDGBMB-UHFFFAOYSA-N -1 0 327.384 3.495 20 30 EGEDRM CC(=O)Nc1ccc(S(=O)(=O)[N-]C(=O)C[C@@H](C)CC(C)C)cc1 ZINC000070029145 519729286 /nfs/dbraw/zinc/72/92/86/519729286.db2.gz HOOZMDGLLUESMY-LBPRGKRZSA-N -1 0 340.445 3.363 20 30 EGEDRM Cc1c(C([O-])=C(C#N)c2nc3ccccc3o2)cnn1-c1ccccn1 ZINC000179008763 547042864 /nfs/dbraw/zinc/04/28/64/547042864.db2.gz WBEGNKCDONYCCK-ZDUSSCGKSA-N -1 0 343.346 3.207 20 30 EGEDRM Cn1cc(C([O-])=C(C#N)c2nc3ccccc3o2)c(-c2cccnc2)n1 ZINC000679537693 549727964 /nfs/dbraw/zinc/72/79/64/549727964.db2.gz ICJLHCKRYBZAHQ-CYBMUJFWSA-N -1 0 343.346 3.113 20 30 EGEDRM CC(=O)c1ccc([O-])c(NC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)c1 ZINC000679726140 549768837 /nfs/dbraw/zinc/76/88/37/549768837.db2.gz YJUUPDMWJJLAQV-SFHVURJKSA-N -1 0 349.390 3.074 20 30 EGEDRM CCOc1cnc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)cn1 ZINC000681721782 550030876 /nfs/dbraw/zinc/03/08/76/550030876.db2.gz XLAREAXOXNMVAD-SNVBAGLBSA-N -1 0 342.355 3.114 20 30 EGEDRM CCc1ccc2c(c1)C(=N[N-]c1nc(-c3ccccc3)no1)C(=O)N2 ZINC000726738357 574569275 /nfs/dbraw/zinc/56/92/75/574569275.db2.gz QKWVOZNXCKQWHV-UHFFFAOYSA-N -1 0 333.351 3.067 20 30 EGEDRM C[C@@H](COc1ccccc1C(F)(F)F)[N-]C(=O)C(F)(F)C(F)F ZINC000749356147 574631162 /nfs/dbraw/zinc/63/11/62/574631162.db2.gz ZAKYLRVSBDVWEX-ZETCQYMHSA-N -1 0 347.230 3.489 20 30 EGEDRM C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc(Cl)nc2)c1 ZINC000727361946 574663332 /nfs/dbraw/zinc/66/33/32/574663332.db2.gz URFWFXNTSFGOIV-UHFFFAOYSA-N -1 0 338.816 3.491 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2sc3c(c2C(=O)[O-])CCCCC3)nc1 ZINC000738430795 574665636 /nfs/dbraw/zinc/66/56/36/574665636.db2.gz PNHVLJOEWHZQIS-UHFFFAOYSA-N -1 0 341.392 3.234 20 30 EGEDRM O=C([O-])C(=O)/C(=C\c1cccnc1Cl)c1ccc2ccccc2n1 ZINC000728695279 574766725 /nfs/dbraw/zinc/76/67/25/574766725.db2.gz TZVGRLIJHYPYLB-RAXLEYEMSA-N -1 0 338.750 3.478 20 30 EGEDRM O=C([O-])C(F)(F)Oc1ccc(/C=C2\COc3ccccc3C2=O)cc1 ZINC000730732139 575014570 /nfs/dbraw/zinc/01/45/70/575014570.db2.gz CQEHCXHHTIFNEE-FMIVXFBMSA-N -1 0 346.285 3.402 20 30 EGEDRM C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(OCC)cc1 ZINC000741656699 575314177 /nfs/dbraw/zinc/31/41/77/575314177.db2.gz GIFGKMJVJPMOIK-UHFFFAOYSA-N -1 0 349.383 3.037 20 30 EGEDRM C=CC[C@@H](NC(=O)N(C)Cc1ccc(C(=O)[O-])cc1)c1ccncc1 ZINC000736097268 575899224 /nfs/dbraw/zinc/89/92/24/575899224.db2.gz ZZYGVDJRHURTJA-QGZVFWFLSA-N -1 0 339.395 3.239 20 30 EGEDRM C[C@@](C#N)(CCc1ccccc1)NC(=O)c1cccc(NC(=O)[O-])c1 ZINC000736203663 575914956 /nfs/dbraw/zinc/91/49/56/575914956.db2.gz VMZIJGRYQNUMTF-IBGZPJMESA-N -1 0 337.379 3.421 20 30 EGEDRM CC(C)=C[C@@H]1[C@H](C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)C1(C)C ZINC000736343382 575940411 /nfs/dbraw/zinc/94/04/11/575940411.db2.gz BNZMTFSCWLVDAR-BZUAXINKSA-N -1 0 327.380 3.466 20 30 EGEDRM CC(C)[C@@H](NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)C(=O)[O-] ZINC000736388712 575948591 /nfs/dbraw/zinc/94/85/91/575948591.db2.gz CRABLKVKLYZYEW-QGZVFWFLSA-N -1 0 338.363 3.190 20 30 EGEDRM C[C@H]1C[C@H]1NC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000736765596 576023718 /nfs/dbraw/zinc/02/37/18/576023718.db2.gz LSEYLLDGPTXVTH-SCLBCKFNSA-N -1 0 334.375 3.315 20 30 EGEDRM CCc1[nH]c(C(=O)N[C@](C)(C#N)C2CCCCC2)c(C)c1C(=O)[O-] ZINC000737242648 576146955 /nfs/dbraw/zinc/14/69/55/576146955.db2.gz VJILMHRACLJECI-GOSISDBHSA-N -1 0 331.416 3.176 20 30 EGEDRM CN(C(=O)[O-])c1ccc(NC(=O)NCc2ccc(C#N)cc2F)cc1 ZINC000737331943 576207737 /nfs/dbraw/zinc/20/77/37/576207737.db2.gz KYOPZLHRRJVASC-UHFFFAOYSA-N -1 0 342.330 3.133 20 30 EGEDRM CN(CCCC(=O)N[C@H](C#N)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000737418805 576224658 /nfs/dbraw/zinc/22/46/58/576224658.db2.gz SDMXKQYNVZGMRY-LLVKDONJSA-N -1 0 344.198 3.064 20 30 EGEDRM CN(CCCC(=O)Nc1cccc(C#Cc2cccs2)c1)C(=O)[O-] ZINC000737431725 576227979 /nfs/dbraw/zinc/22/79/79/576227979.db2.gz YGUQIXJCBWYULO-UHFFFAOYSA-N -1 0 342.420 3.476 20 30 EGEDRM CC(=NNc1cccc([N+](=O)[O-])c1C)c1cccc(OCC(=O)[O-])c1 ZINC000737539082 576242600 /nfs/dbraw/zinc/24/26/00/576242600.db2.gz GUMUXSQDRCKKRH-UHFFFAOYSA-N -1 0 343.339 3.203 20 30 EGEDRM CC(C)N(CC(=O)[O-])C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000737635963 576257859 /nfs/dbraw/zinc/25/78/59/576257859.db2.gz XYVOYUPFNMTKDS-UHFFFAOYSA-N -1 0 337.379 3.237 20 30 EGEDRM Cc1ccc2c(c1)[nH]cc2C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000738667209 576348343 /nfs/dbraw/zinc/34/83/43/576348343.db2.gz GQXDQAIYJUXFAL-KRWDZBQOSA-N -1 0 334.331 3.331 20 30 EGEDRM Cc1cccc2c(CC(=O)O[C@H](C(=O)[O-])c3ccc(C#N)cc3)c[nH]c21 ZINC000738747090 576358487 /nfs/dbraw/zinc/35/84/87/576358487.db2.gz AMOVXAQKOHHSLU-IBGZPJMESA-N -1 0 348.358 3.260 20 30 EGEDRM Cc1cccc2c1ncc(C#N)c2NCCc1ccc(C(=O)[O-])cc1 ZINC000738747524 576358796 /nfs/dbraw/zinc/35/87/96/576358796.db2.gz ITUSYDYPZMQVHJ-UHFFFAOYSA-N -1 0 331.375 3.190 20 30 EGEDRM Cn1c2ccccc2nc1[C@@H](C#N)C(=O)c1cccc(NC(=O)[O-])c1 ZINC000739012403 576373886 /nfs/dbraw/zinc/37/38/86/576373886.db2.gz CSZBGKFRFLNWSQ-ZDUSSCGKSA-N -1 0 334.335 3.153 20 30 EGEDRM N#CCOc1cccc(C=Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)c1 ZINC000739087424 576377316 /nfs/dbraw/zinc/37/73/16/576377316.db2.gz IMYVXCQJVLWJFB-DAXSKMNVSA-N -1 0 347.330 3.106 20 30 EGEDRM N#CCOc1ccc(Cl)cc1COc1ccc(CC(=O)[O-])cc1 ZINC000739086581 576377372 /nfs/dbraw/zinc/37/73/72/576377372.db2.gz BAPZTUBMLYAPHV-UHFFFAOYSA-N -1 0 331.755 3.448 20 30 EGEDRM N#Cc1ccc(C(=O)CSc2nc3ccc(C(=O)[O-])cc3o2)cc1 ZINC000739102497 576377931 /nfs/dbraw/zinc/37/79/31/576377931.db2.gz XYSDPKRYRACCMP-UHFFFAOYSA-N -1 0 338.344 3.373 20 30 EGEDRM N#Cc1ccc(-n2nccc2NC(=O)c2cccc(NC(=O)[O-])c2)cc1 ZINC000739102626 576377974 /nfs/dbraw/zinc/37/79/74/576377974.db2.gz ZRAORYGTPLCMBJ-UHFFFAOYSA-N -1 0 347.334 3.086 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)/C=C\c2cccc(F)c2)C(=O)[O-])cc1 ZINC000739111176 576378495 /nfs/dbraw/zinc/37/84/95/576378495.db2.gz VAPRCLWDQUQWGE-SKHCZCESSA-N -1 0 325.295 3.080 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)CSc2ccc(F)cc2)C(=O)[O-])cc1 ZINC000739115382 576378751 /nfs/dbraw/zinc/37/87/51/576378751.db2.gz PZIUQWHBQHMGAS-INIZCTEOSA-N -1 0 345.351 3.159 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)c2ccc(Cl)cc2F)C(=O)[O-])cc1 ZINC000739116139 576378859 /nfs/dbraw/zinc/37/88/59/576378859.db2.gz ZXQXPTDTOOPSFB-AWEZNQCLSA-N -1 0 333.702 3.333 20 30 EGEDRM N#Cc1ccc([C@@H](OC(=O)c2coc(-c3ccccc3)n2)C(=O)[O-])cc1 ZINC000739117907 576378987 /nfs/dbraw/zinc/37/89/87/576378987.db2.gz NQPIEGLUFMJQQV-MRXNPFEDSA-N -1 0 348.314 3.196 20 30 EGEDRM N#Cc1ccc(OCCCN2C[C@H](CC(=O)[O-])c3ccccc32)cc1 ZINC000739129395 576379127 /nfs/dbraw/zinc/37/91/27/576379127.db2.gz WREONHAYADPKDF-INIZCTEOSA-N -1 0 336.391 3.406 20 30 EGEDRM COc1cc(C/N=C/c2cc([N+](=O)[O-])ccc2[O-])c2ccccc2n1 ZINC000741845238 576727148 /nfs/dbraw/zinc/72/71/48/576727148.db2.gz SEYSIHBWOAZTHX-YBFXNURJSA-N -1 0 337.335 3.476 20 30 EGEDRM C[C@H](Oc1cccc(/C=C\C(=O)c2ccc3c(c2)COC3)c1)C(=O)[O-] ZINC000742437764 576784372 /nfs/dbraw/zinc/78/43/72/576784372.db2.gz XEYJFJFHTCNSPH-UJZCVKTISA-N -1 0 338.359 3.465 20 30 EGEDRM CCO[C@@H](C)c1ncc(C([O-])=C(C#N)C(=O)NC2CCCCC2)s1 ZINC000744027409 576819090 /nfs/dbraw/zinc/81/90/90/576819090.db2.gz SUUUVGUYRLBYET-WCQYABFASA-N -1 0 349.456 3.012 20 30 EGEDRM N#Cc1ccc(NC(=S)N2CCC[C@@H](CC(=O)[O-])C2)cc1Cl ZINC000819100189 597043418 /nfs/dbraw/zinc/04/34/18/597043418.db2.gz BPKTUPONUKBMSS-JTQLQIEISA-N -1 0 337.832 3.095 20 30 EGEDRM Cc1cc(C(=O)Nc2ccccc2C(=O)[O-])nn1-c1cccc(C#N)c1 ZINC000820963610 597610432 /nfs/dbraw/zinc/61/04/32/597610432.db2.gz FYZHWAMTXLQQHR-UHFFFAOYSA-N -1 0 346.346 3.003 20 30 EGEDRM Cc1sc(NC(=O)[C@](C)(C#N)CC(=O)[O-])nc1-c1ccc(C)cc1 ZINC000821051958 598222249 /nfs/dbraw/zinc/22/22/49/598222249.db2.gz FCZUODWQGVYYLX-KRWDZBQOSA-N -1 0 343.408 3.370 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NCc1ccc(Oc2ccccc2)cc1 ZINC000819841869 598226044 /nfs/dbraw/zinc/22/60/44/598226044.db2.gz GCOMPXFNAKZSEH-LJQANCHMSA-N -1 0 338.363 3.100 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1cccc(N2CCCCCC2)c1 ZINC000819857387 598228454 /nfs/dbraw/zinc/22/84/54/598228454.db2.gz WMQWOMYNXQTOOQ-GOSISDBHSA-N -1 0 329.400 3.010 20 30 EGEDRM CC(C)(CNC(=O)[C@](C)(C#N)CC(=O)[O-])Cc1cccc(Cl)c1 ZINC000819948187 598229946 /nfs/dbraw/zinc/22/99/46/598229946.db2.gz GLVREMWEZSJSMV-KRWDZBQOSA-N -1 0 336.819 3.029 20 30 EGEDRM C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(C)CCCC(=O)[O-] ZINC000237286033 600523799 /nfs/dbraw/zinc/52/37/99/600523799.db2.gz FZFMNVWBZJBKDY-UHFFFAOYSA-N -1 0 345.317 3.207 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)[C@@H]2C[C@@]23CCc2ccccc23)C(=O)[O-])cc1 ZINC000833071770 600738782 /nfs/dbraw/zinc/73/87/82/600738782.db2.gz IJMNTDJTAUWRTK-BBTUJRGHSA-N -1 0 347.370 3.131 20 30 EGEDRM C=CCc1ccc(OCC(=O)Nc2ccc(C(=O)[O-])s2)c(OC)c1 ZINC000825705400 600900579 /nfs/dbraw/zinc/90/05/79/600900579.db2.gz GBHRHKIEZNWTIK-UHFFFAOYSA-N -1 0 347.392 3.201 20 30 EGEDRM C#CCCCNC(=O)c1ccccc1SCc1occc1C(=O)[O-] ZINC000825605872 600904357 /nfs/dbraw/zinc/90/43/57/600904357.db2.gz VUYHGRVVFWLDLQ-UHFFFAOYSA-N -1 0 343.404 3.413 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@H](C)C(F)(F)F ZINC000825702703 600967071 /nfs/dbraw/zinc/96/70/71/600967071.db2.gz VWCHZZVMFRUWRR-QMMMGPOBSA-N -1 0 332.274 3.226 20 30 EGEDRM N#Cc1ccc(C(=O)N2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])s1 ZINC000833070420 601288609 /nfs/dbraw/zinc/28/86/09/601288609.db2.gz FORPDNBTPCGPGN-TZMCWYRMSA-N -1 0 332.425 3.115 20 30 EGEDRM COCc1nc2cc(N[C@@H](C(=O)[O-])c3cccc(C#N)c3)ccc2o1 ZINC000831831501 601308045 /nfs/dbraw/zinc/30/80/45/601308045.db2.gz KSRCOQAGBZCOGM-QGZVFWFLSA-N -1 0 337.335 3.084 20 30 EGEDRM O=C([O-])c1ccc(/C=C2/CC/C(=C/c3cccc([N+](=O)[O-])c3)C2=O)[nH]1 ZINC000833354853 601331216 /nfs/dbraw/zinc/33/12/16/601331216.db2.gz DHDHZHWOWNRBHL-KDVDBFTISA-N -1 0 338.319 3.451 20 30 EGEDRM Cc1cc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)c2ccccc2n1 ZINC000832867926 601343348 /nfs/dbraw/zinc/34/33/48/601343348.db2.gz GGKMANBDNYQLOL-GOSISDBHSA-N -1 0 346.342 3.398 20 30 EGEDRM N#Cc1cccc([C@@H](OC(=O)c2ccc(OC(F)F)cc2)C(=O)[O-])c1 ZINC000833077189 601343791 /nfs/dbraw/zinc/34/37/91/601343791.db2.gz MMBZZELNCIVWND-CQSZACIVSA-N -1 0 347.273 3.142 20 30 EGEDRM Cc1cccc(O[C@@H](C)C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000832972493 601347061 /nfs/dbraw/zinc/34/70/61/601347061.db2.gz CHMILMMNIPJEIM-SUMWQHHRSA-N -1 0 339.347 3.003 20 30 EGEDRM N#Cc1cccc([C@H](OC(=O)c2cc(Cl)c(Cl)[nH]2)C(=O)[O-])c1 ZINC000833077741 601348169 /nfs/dbraw/zinc/34/81/69/601348169.db2.gz ZSYRJCKOEVHSLI-NSHDSACASA-N -1 0 339.134 3.176 20 30 EGEDRM N#Cc1cccc([C@@H](OC(=O)c2cc(-c3ccccc3)no2)C(=O)[O-])c1 ZINC000833077515 601349760 /nfs/dbraw/zinc/34/97/60/601349760.db2.gz VEJYPYOHOHHWPE-QGZVFWFLSA-N -1 0 348.314 3.196 20 30 EGEDRM Cn1c(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cc2ccccc21 ZINC000833038813 601350600 /nfs/dbraw/zinc/35/06/00/601350600.db2.gz POZZVERLGIXEIH-KRWDZBQOSA-N -1 0 334.331 3.033 20 30 EGEDRM C[C@@H](Cc1ccc(F)cc1)C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000827586335 601350925 /nfs/dbraw/zinc/35/09/25/601350925.db2.gz KRIBECKZWOOOIA-YVEFUNNKSA-N -1 0 341.338 3.245 20 30 EGEDRM Cc1ccc2c(CC(=O)O[C@H](C(=O)[O-])c3cccc(C#N)c3)c[nH]c2c1 ZINC000832959045 601352205 /nfs/dbraw/zinc/35/22/05/601352205.db2.gz BHZDANPTSPTQBM-IBGZPJMESA-N -1 0 348.358 3.260 20 30 EGEDRM C[C@@H](C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1)c1ccccc1F ZINC000826061395 601352506 /nfs/dbraw/zinc/35/25/06/601352506.db2.gz QEBUHOSFVTZXBX-BZNIZROVSA-N -1 0 327.311 3.170 20 30 EGEDRM COc1ccc([C@@H](C)C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000832216869 601352706 /nfs/dbraw/zinc/35/27/06/601352706.db2.gz ULYYPYVUTRPHFU-PXAZEXFGSA-N -1 0 339.347 3.039 20 30 EGEDRM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000833064892 601427148 /nfs/dbraw/zinc/42/71/48/601427148.db2.gz OKRGFJBKMOYCLS-TVFCKZIOSA-N -1 0 340.423 3.176 20 30 EGEDRM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(C(=O)[O-])cc1 ZINC000821320337 601427483 /nfs/dbraw/zinc/42/74/83/601427483.db2.gz LUHXFXNPEARVQS-ROUUACIJSA-N -1 0 334.375 3.297 20 30 EGEDRM CCc1oc(C(=O)[O-])cc1COC(=O)CSc1ccc(C#N)cc1 ZINC000830389882 601465117 /nfs/dbraw/zinc/46/51/17/601465117.db2.gz WDEHNUXPDYMRPC-UHFFFAOYSA-N -1 0 345.376 3.247 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)C1CC(F)(F)C1 ZINC000825702673 601504168 /nfs/dbraw/zinc/50/41/68/601504168.db2.gz UDRZGEBCZRGLMV-UHFFFAOYSA-N -1 0 326.295 3.073 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)[C@@H]2C[C@H]2Cc2ccccc2)C(=O)[O-])cc1 ZINC000833073082 601604658 /nfs/dbraw/zinc/60/46/58/601604658.db2.gz VIMGBVFJVZPRID-KURKYZTESA-N -1 0 335.359 3.106 20 30 EGEDRM O=C([O-])c1cc(/C=C2/Oc3cc(Br)ccc3C2=O)c[nH]1 ZINC000833298166 601613375 /nfs/dbraw/zinc/61/33/75/601613375.db2.gz PJGCNQBWJPRLIR-UUILKARUSA-N -1 0 334.125 3.092 20 30 EGEDRM Cc1sc(C(=O)[O-])cc1CON=C(N)c1nccc2ccccc21 ZINC000833031548 601636446 /nfs/dbraw/zinc/63/64/46/601636446.db2.gz NHNCVKNNNUHLCK-UHFFFAOYSA-N -1 0 341.392 3.140 20 30 EGEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)NCC(C)(C)C(=O)[O-] ZINC000827217807 601756476 /nfs/dbraw/zinc/75/64/76/601756476.db2.gz JVCKQMJSVVMKOT-LLVKDONJSA-N -1 0 335.429 3.313 20 30 EGEDRM C[C@H](C#N)CSc1ccccc1NC(=O)N1C[C@H](C)[C@H](C(=O)[O-])C1 ZINC000825967394 601792014 /nfs/dbraw/zinc/79/20/14/601792014.db2.gz VRNNWBBCSONXQE-FRRDWIJNSA-N -1 0 347.440 3.123 20 30 EGEDRM C[C@@]1(C(=O)[O-])CCN(C(=O)Nc2ccccc2C#Cc2ccccc2)C1 ZINC000828007890 602011072 /nfs/dbraw/zinc/01/10/72/602011072.db2.gz NAVFBPRVGGWLCR-OAQYLSRUSA-N -1 0 348.402 3.415 20 30 EGEDRM COc1ccc(O)c(C(=O)/C=C\c2ccc(O[C@H](C)C(=O)[O-])cc2)c1 ZINC000794701676 602112355 /nfs/dbraw/zinc/11/23/55/602112355.db2.gz NJZPUYTXIKDQHK-DJTUGOFGSA-N -1 0 342.347 3.149 20 30 EGEDRM Cc1ccc(O)c(C(=O)/C=C/c2ccc(O[C@@H](C)C(=O)[O-])cc2)c1 ZINC000794703550 602112368 /nfs/dbraw/zinc/11/23/68/602112368.db2.gz VQJURHLUOQWXJH-PPOCWRSBSA-N -1 0 326.348 3.449 20 30 EGEDRM C[C@H](CC(=O)[O-])C(=O)Oc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000827349016 602195746 /nfs/dbraw/zinc/19/57/46/602195746.db2.gz NFDBWHSDGLKDMI-GFCCVEGCSA-N -1 0 325.320 3.367 20 30 EGEDRM CN(C(=O)CSc1cccc(C#N)c1)c1ccccc1C(=O)[O-] ZINC000830490633 602289635 /nfs/dbraw/zinc/28/96/35/602289635.db2.gz WXSIQUCLYQNBII-UHFFFAOYSA-N -1 0 326.377 3.012 20 30 EGEDRM CC(C)(C(=O)[O-])[C@@H](NC(=O)c1sccc1C#N)c1ccccc1 ZINC000826105660 604375333 /nfs/dbraw/zinc/37/53/33/604375333.db2.gz FTLSVFUCKMUMSG-AWEZNQCLSA-N -1 0 328.393 3.202 20 30 EGEDRM CC(C)Oc1nnc(SCc2cccc(C(=O)[O-])c2C#N)s1 ZINC000833508103 604550808 /nfs/dbraw/zinc/55/08/08/604550808.db2.gz VMIZGDLOSZCVHX-UHFFFAOYSA-N -1 0 335.410 3.187 20 30 EGEDRM C=C(C)[C@H](CC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-])OCC ZINC000833367284 604570251 /nfs/dbraw/zinc/57/02/51/604570251.db2.gz KABGOXUWJQWYLW-DOTOQJQBSA-N -1 0 333.428 3.326 20 30 EGEDRM CC(C)(C#N)c1ccccc1CSCc1noc(CCC(=O)[O-])n1 ZINC000826080611 604649318 /nfs/dbraw/zinc/64/93/18/604649318.db2.gz BCUYVNIBHNGEMX-UHFFFAOYSA-N -1 0 345.424 3.321 20 30 EGEDRM N#Cc1cccc([C@H](OC(=O)c2ccc(F)c(Cl)c2)C(=O)[O-])c1 ZINC000833077198 604693939 /nfs/dbraw/zinc/69/39/39/604693939.db2.gz MZOBIPNSQGPJOT-AWEZNQCLSA-N -1 0 333.702 3.333 20 30 EGEDRM C=CCOc1ccc(-c2nnc(SC/C=C(\C)C(=O)[O-])o2)cc1 ZINC000825699412 604756299 /nfs/dbraw/zinc/75/62/99/604756299.db2.gz ZLQUFYOJEDQEAF-DHZHZOJOSA-N -1 0 332.381 3.424 20 30 EGEDRM COc1ccc(O)c(C=Nc2ccc(OCC(=O)[O-])c(Cl)c2)c1 ZINC000832424617 604790217 /nfs/dbraw/zinc/79/02/17/604790217.db2.gz GMEHSGKWYDUQEU-UHFFFAOYSA-N -1 0 335.743 3.268 20 30 EGEDRM Cc1cccc2c1ncc(C#N)c2NC[C@H](C(=O)[O-])c1ccccc1 ZINC000832974017 604805074 /nfs/dbraw/zinc/80/50/74/604805074.db2.gz HWRCPTAFLIQCDB-KRWDZBQOSA-N -1 0 331.375 3.117 20 30 EGEDRM CC(C)(C#N)C(=O)Nc1cc(Br)cc(C(=O)[O-])c1Cl ZINC000833409113 604944580 /nfs/dbraw/zinc/94/45/80/604944580.db2.gz ZXWJBBIRKANOOK-UHFFFAOYSA-N -1 0 345.580 3.289 20 30 EGEDRM C#CCCCCC(=O)Oc1ccc(C(=O)[O-])cc1Br ZINC000833362679 605020649 /nfs/dbraw/zinc/02/06/49/605020649.db2.gz FAGJIZJXUGHCOO-UHFFFAOYSA-N -1 0 325.158 3.246 20 30 EGEDRM Cc1sc2ncnc(N=NCc3cccn3[C@H](C)C(=O)[O-])c2c1C ZINC000833759255 605038710 /nfs/dbraw/zinc/03/87/10/605038710.db2.gz YUHRYWVJPXUYFD-SNVBAGLBSA-N -1 0 343.412 3.201 20 30 EGEDRM C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C1CCC(C(=O)[O-])CC1 ZINC000194430432 605083482 /nfs/dbraw/zinc/08/34/82/605083482.db2.gz YAILSJYEBFHPHD-UHFFFAOYSA-N -1 0 346.383 3.000 20 30 EGEDRM C=CCCO[C@H](C)C(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000833373989 605093392 /nfs/dbraw/zinc/09/33/92/605093392.db2.gz MLAJGEVGPCJRGE-SECBINFHSA-N -1 0 342.189 3.067 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@H]1CCC(=O)[C@@H](C)C1 ZINC000833379655 605147030 /nfs/dbraw/zinc/14/70/30/605147030.db2.gz JOFYKAJWEXOESM-AAEUAGOBSA-N -1 0 346.379 3.033 20 30 EGEDRM C=CCCC[C@@H](C)NC(=O)Nc1cc(C(=O)[O-])cc(C(=O)OC)c1 ZINC000833374108 605251385 /nfs/dbraw/zinc/25/13/85/605251385.db2.gz RVNUJGOEURPAKR-LLVKDONJSA-N -1 0 334.372 3.038 20 30 EGEDRM C[C@@H](Nc1ccc(NC(=O)[O-])c(F)c1)C(=O)NC1(C#N)CCCCC1 ZINC000833524853 605261318 /nfs/dbraw/zinc/26/13/18/605261318.db2.gz JSCWWDIKGMLLDC-LLVKDONJSA-N -1 0 348.378 3.059 20 30 EGEDRM C[C@H](Oc1ccccc1C#N)C(=O)OCc1ccc(NC(=O)[O-])cc1 ZINC000833540656 605305112 /nfs/dbraw/zinc/30/51/12/605305112.db2.gz OEDXBJOLNSPSHM-LBPRGKRZSA-N -1 0 340.335 3.159 20 30 EGEDRM C=CCOC(=O)c1sc2[n-]c(-c3cc(C)on3)nc(=O)c2c1C ZINC000794862386 1309611181 /nfs/dbraw/zinc/61/11/81/1309611181.db2.gz PSLOGLOLMRKVQX-UHFFFAOYSA-N -1 0 331.353 3.012 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nc(-c3ccccc3)cs2)cc1 ZINC000007052452 1291056708 /nfs/dbraw/zinc/05/67/08/1291056708.db2.gz YBGTXUYXXCMVNO-UHFFFAOYSA-N -1 0 341.417 3.483 20 30 EGEDRM COc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1OCC(=O)[O-] ZINC000007712637 1291086886 /nfs/dbraw/zinc/08/68/86/1291086886.db2.gz ZYISRSAJRODDBS-QHHAFSJGSA-N -1 0 348.301 3.333 20 30 EGEDRM C=C(C)CN1C(=O)/C(=C\c2ccc([O-])c([N+](=O)[O-])c2)SC1=S ZINC000028964832 1291319732 /nfs/dbraw/zinc/31/97/32/1291319732.db2.gz PWJNLESXMWIFNL-WUXMJOGZSA-N -1 0 336.394 3.078 20 30 EGEDRM COCc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000042233467 1291437034 /nfs/dbraw/zinc/43/70/34/1291437034.db2.gz DVBFNZOJUOUDPM-UHFFFAOYSA-N -1 0 339.800 3.180 20 30 EGEDRM Cc1[nH]c2ccc(C(=O)[N-]S(=O)(=O)c3ccccc3)cc2c1C ZINC000042232658 1291437428 /nfs/dbraw/zinc/43/74/28/1291437428.db2.gz PFPOJWVIKPKKDG-UHFFFAOYSA-N -1 0 328.393 3.478 20 30 EGEDRM CCOc1ccc(S(=O)(=O)[N-]C(=O)Cc2cccs2)cc1 ZINC000042247432 1291438180 /nfs/dbraw/zinc/43/81/80/1291438180.db2.gz MPWOAVZHTBDLIT-UHFFFAOYSA-N -1 0 325.411 3.035 20 30 EGEDRM CCc1ccc(OCC(=O)[N-]S(=O)(=O)c2ccccc2C)cc1 ZINC000046928020 1291556532 /nfs/dbraw/zinc/55/65/32/1291556532.db2.gz AXGXAMOAZZEUSI-UHFFFAOYSA-N -1 0 333.409 3.282 20 30 EGEDRM COc1ccc(Cl)cc1C(=O)[N-]S(=O)(=O)c1ccccc1C ZINC000046928056 1291557088 /nfs/dbraw/zinc/55/70/88/1291557088.db2.gz PAJMPJDNFMAUNE-UHFFFAOYSA-N -1 0 339.800 3.351 20 30 EGEDRM Cc1cccc(OCCC(=O)[N-]S(=O)(=O)c2ccccc2)c1C ZINC000048406577 1291603245 /nfs/dbraw/zinc/60/32/45/1291603245.db2.gz INVFZLHXFLNQJU-UHFFFAOYSA-N -1 0 333.409 3.418 20 30 EGEDRM O=C(CSc1ccc(F)c(F)c1)[N-]S(=O)(=O)c1cccs1 ZINC000048428057 1291604791 /nfs/dbraw/zinc/60/47/91/1291604791.db2.gz IZKUDUTWYXESIM-UHFFFAOYSA-N -1 0 349.405 3.464 20 30 EGEDRM O=C([N-]S(=O)(=O)c1ccccc1F)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000048592523 1291612156 /nfs/dbraw/zinc/61/21/56/1291612156.db2.gz JBPOOBOUGRMUPT-QWHCGFSZSA-N -1 0 337.347 3.414 20 30 EGEDRM O=C([N-]S(=O)(=O)c1ccccc1F)c1cccc(OC(F)F)c1 ZINC000048588677 1291612484 /nfs/dbraw/zinc/61/24/84/1291612484.db2.gz FYTFTJVEQYLJEQ-UHFFFAOYSA-N -1 0 345.298 3.121 20 30 EGEDRM C[C@@H](Oc1ccccc1)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000048612211 1291613620 /nfs/dbraw/zinc/61/36/20/1291613620.db2.gz ZOISBXUELPMQJC-CYBMUJFWSA-N -1 0 345.420 3.288 20 30 EGEDRM CCCCO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000049178073 1291625394 /nfs/dbraw/zinc/62/53/94/1291625394.db2.gz PLZSMVOBJAIKED-MRVPVSSYSA-N -1 0 325.839 3.252 20 30 EGEDRM CC(C)(C)c1ncc(C(=O)[N-]S(=O)(=O)C2CCCCC2)s1 ZINC000058081487 1291878505 /nfs/dbraw/zinc/87/85/05/1291878505.db2.gz RPTPPEXULDTYCP-UHFFFAOYSA-N -1 0 330.475 3.408 20 30 EGEDRM COc1cccc(S(=O)(=O)[N-]C(=O)CCc2ccc(F)cc2)c1 ZINC000058185689 1291882172 /nfs/dbraw/zinc/88/21/72/1291882172.db2.gz ZQMLZPSEBKLIGC-UHFFFAOYSA-N -1 0 337.372 3.112 20 30 EGEDRM CCc1ccsc1C(=O)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000066004202 1292103415 /nfs/dbraw/zinc/10/34/15/1292103415.db2.gz KFHLSPAZGGIMJV-UHFFFAOYSA-N -1 0 331.365 3.282 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])c(/C=N/Cc2ccc3c(c2)OCCCO3)c1 ZINC000066255637 1292108800 /nfs/dbraw/zinc/10/88/00/1292108800.db2.gz VTWRDSZWYRVZSB-WOJGMQOQSA-N -1 0 328.324 3.081 20 30 EGEDRM CC(C)CCO[C@@H](C)C(=O)[N-]S(=O)(=O)C=Cc1ccccc1 ZINC000069283278 1292237747 /nfs/dbraw/zinc/23/77/47/1292237747.db2.gz AMUULKGRANSCFV-WONIAPNHSA-N -1 0 325.430 3.395 20 30 EGEDRM CCOc1ccc(S(=O)(=O)[N-]C(=O)C2(c3ccccc3)CC2)cc1 ZINC000069525052 1292244551 /nfs/dbraw/zinc/24/45/51/1292244551.db2.gz NNNGAMSFSPSWQS-UHFFFAOYSA-N -1 0 345.420 3.462 20 30 EGEDRM CO[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccccc1 ZINC000069525818 1292244929 /nfs/dbraw/zinc/24/49/29/1292244929.db2.gz ONEGUXKLONAAQC-GFCCVEGCSA-N -1 0 345.829 3.434 20 30 EGEDRM O=C([N-]S(=O)(=O)C=Cc1ccccc1)[C@H]1COc2ccccc21 ZINC000073087112 1292305476 /nfs/dbraw/zinc/30/54/76/1292305476.db2.gz XQYFEHWZKRDITB-NKSUMMKUSA-N -1 0 329.377 3.120 20 30 EGEDRM CC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C)cc1Br ZINC000075040529 1292380415 /nfs/dbraw/zinc/38/04/15/1292380415.db2.gz RONXIDCOWVZTNN-VIFPVBQESA-N -1 0 334.235 3.449 20 30 EGEDRM C[C@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000076756245 1292440175 /nfs/dbraw/zinc/44/01/75/1292440175.db2.gz AXDSBHAFHYJOEY-WDEREUQCSA-N -1 0 326.374 3.066 20 30 EGEDRM CCOc1ccc(CC(=O)[N-]S(=O)(=O)c2ccccc2C)cc1 ZINC000077942206 1292490817 /nfs/dbraw/zinc/49/08/17/1292490817.db2.gz HYVSFQCMDSICJY-UHFFFAOYSA-N -1 0 333.409 3.282 20 30 EGEDRM O=C(CSc1ccncc1)[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000077943778 1292491100 /nfs/dbraw/zinc/49/11/00/1292491100.db2.gz XEDNNSINFALBJH-UHFFFAOYSA-N -1 0 342.829 3.173 20 30 EGEDRM O=C(CSc1ccncc1)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000077942733 1292491217 /nfs/dbraw/zinc/49/12/17/1292491217.db2.gz PAFCOLBRUKIEGP-UHFFFAOYSA-N -1 0 348.858 3.234 20 30 EGEDRM Cc1cccc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCCO3)c1 ZINC000091125698 1292821454 /nfs/dbraw/zinc/82/14/54/1292821454.db2.gz DWDUJGJNIPOLMJ-UHFFFAOYSA-N -1 0 331.393 3.014 20 30 EGEDRM CCCON=C([O-])Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000831318368 1292838561 /nfs/dbraw/zinc/83/85/61/1292838561.db2.gz RMJYZHQRHNCOEQ-UHFFFAOYSA-N -1 0 349.441 3.165 20 30 EGEDRM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1cc(C#N)ccc1[O-] ZINC000091696019 1292841261 /nfs/dbraw/zinc/84/12/61/1292841261.db2.gz HUGRGAJTSVJKCE-UHFFFAOYSA-N -1 0 325.324 3.350 20 30 EGEDRM CCCc1ccc(S(=O)(=O)[N-]C(=O)c2cnn(C(C)C)c2C)cc1 ZINC000092693565 1292884187 /nfs/dbraw/zinc/88/41/87/1292884187.db2.gz FZTLBEWKQQIIMV-UHFFFAOYSA-N -1 0 349.456 3.418 20 30 EGEDRM COc1ccc(C(=O)/C=C\c2c(F)cccc2F)cc1CC(=O)[O-] ZINC000096814808 1292954116 /nfs/dbraw/zinc/95/41/16/1292954116.db2.gz BAEZCWGAZGAQCW-SREVYHEPSA-N -1 0 332.302 3.497 20 30 EGEDRM C=CCCOC(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1 ZINC000103649834 1293012326 /nfs/dbraw/zinc/01/23/26/1293012326.db2.gz VUOKYLKRZXRWLU-UHFFFAOYSA-N -1 0 349.383 3.359 20 30 EGEDRM CC(=NN[C@H](C)C(F)(F)F)c1cccc(OCCCC(=O)[O-])c1 ZINC000834998612 1293184717 /nfs/dbraw/zinc/18/47/17/1293184717.db2.gz JVWYADMQEUUYPB-LLVKDONJSA-N -1 0 332.322 3.195 20 30 EGEDRM C=CCC1(C(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000835025913 1293190685 /nfs/dbraw/zinc/19/06/85/1293190685.db2.gz NKLHQEIHAAILCQ-UHFFFAOYSA-N -1 0 327.833 3.281 20 30 EGEDRM C=CCC1(C(=O)[N-]S(=O)(=O)c2ccc(Cl)s2)CCCC1 ZINC000835029213 1293191449 /nfs/dbraw/zinc/19/14/49/1293191449.db2.gz OQLQNHJJGLIBKT-UHFFFAOYSA-N -1 0 333.862 3.343 20 30 EGEDRM Cc1ccc(C([O-])=C(C#N)C(=O)N2CCCC2)cc1Oc1ccncc1 ZINC000115902319 1293196493 /nfs/dbraw/zinc/19/64/93/1293196493.db2.gz FCDZUFUPMYKZQU-QGZVFWFLSA-N -1 0 349.390 3.127 20 30 EGEDRM CC(C)CC(CC(C)C)C(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC000835281543 1293250943 /nfs/dbraw/zinc/25/09/43/1293250943.db2.gz QPSCHAJQSCSCII-UHFFFAOYSA-N -1 0 342.505 3.225 20 30 EGEDRM C=CCC1(C(=O)[N-]S(=O)(=O)Cc2ccc(C)cc2F)CCCC1 ZINC000835347849 1293270631 /nfs/dbraw/zinc/27/06/31/1293270631.db2.gz DNAZTCSXQDNJSD-UHFFFAOYSA-N -1 0 339.432 3.217 20 30 EGEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1csc(-c2ccccc2)n1 ZINC000119781641 1293287441 /nfs/dbraw/zinc/28/74/41/1293287441.db2.gz USMGUZTUJMDINP-AWEZNQCLSA-N -1 0 339.420 3.191 20 30 EGEDRM N#CC(=C([O-])C=Cc1cccnc1)c1nc(-c2ccncc2)cs1 ZINC000120054122 1293301393 /nfs/dbraw/zinc/30/13/93/1293301393.db2.gz VLCRWOCKMLGSID-NHZBNJEXSA-N -1 0 332.388 3.490 20 30 EGEDRM N#CC(C(=O)NC1CC1)=C([O-])c1ccc(OCC2CCCCC2)cc1 ZINC000121332092 1293365286 /nfs/dbraw/zinc/36/52/86/1293365286.db2.gz XHYQEMKWVVFGJJ-GOSISDBHSA-N -1 0 340.423 3.247 20 30 EGEDRM C[C@@H](/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-])C(=O)OC(C)(C)C ZINC000121541064 1293377134 /nfs/dbraw/zinc/37/71/34/1293377134.db2.gz CETYRGALGHWBHA-XUNMKLQISA-N -1 0 328.752 3.103 20 30 EGEDRM N#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000122353835 1293410102 /nfs/dbraw/zinc/41/01/02/1293410102.db2.gz TYNIOAWGNRLKKR-UHFFFAOYSA-N -1 0 340.763 3.182 20 30 EGEDRM CCCc1sc(C([O-])=C(C#N)C(=O)c2nccn2C)cc1CC ZINC000122808124 1293425107 /nfs/dbraw/zinc/42/51/07/1293425107.db2.gz FTMJBMKGTRQVEI-LBPRGKRZSA-N -1 0 329.425 3.202 20 30 EGEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc(-c2ccccc2F)o1 ZINC000123290544 1293439719 /nfs/dbraw/zinc/43/97/19/1293439719.db2.gz PIADAWBQNQFXHU-GFCCVEGCSA-N -1 0 337.310 3.025 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cccc(-n2cccc2)c1 ZINC000125689806 1293514551 /nfs/dbraw/zinc/51/45/51/1293514551.db2.gz VUXMLHAZRGKVEB-SFHVURJKSA-N -1 0 337.423 3.496 20 30 EGEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1ccc2c(c1)CCCC2 ZINC000126661025 1293540323 /nfs/dbraw/zinc/54/03/23/1293540323.db2.gz HSPRSYODNCGYBG-IBGZPJMESA-N -1 0 332.403 3.204 20 30 EGEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1cccc(C(F)(F)F)c1 ZINC000127227860 1293556420 /nfs/dbraw/zinc/55/64/20/1293556420.db2.gz RJRMPNXCOFAWLW-CQSZACIVSA-N -1 0 338.329 3.477 20 30 EGEDRM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(SC(F)F)nc2)c1 ZINC000135248285 1293790204 /nfs/dbraw/zinc/79/02/04/1293790204.db2.gz AUHPVSHYTUGTMI-UHFFFAOYSA-N -1 0 341.364 3.069 20 30 EGEDRM Cc1c(C(=O)/C=C/c2ccc(C(=O)[O-])cc2)nnn1-c1ccccc1 ZINC000147688548 1293880522 /nfs/dbraw/zinc/88/05/22/1293880522.db2.gz KUOYMETUQDDUDS-FMIVXFBMSA-N -1 0 333.347 3.170 20 30 EGEDRM C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C)s1 ZINC000157969892 1294191728 /nfs/dbraw/zinc/19/17/28/1294191728.db2.gz FLVGWUWJDMNGSI-UHFFFAOYSA-N -1 0 325.386 3.008 20 30 EGEDRM C=CCOc1cccc([N-]S(=O)(=O)c2cccc(F)c2C#N)c1 ZINC000158086748 1294196410 /nfs/dbraw/zinc/19/64/10/1294196410.db2.gz CPHZMMYIAPUCIX-UHFFFAOYSA-N -1 0 332.356 3.063 20 30 EGEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1ccc(-c2ccccc2)[nH]1 ZINC000171796875 1294417445 /nfs/dbraw/zinc/41/74/45/1294417445.db2.gz XMRSSGWTKZTXMW-QGZVFWFLSA-N -1 0 343.386 3.321 20 30 EGEDRM COc1ccc(N[C@H](C)c2ccc(C#N)cc2)cc1NS(C)(=O)=O ZINC000173879754 1294472459 /nfs/dbraw/zinc/47/24/59/1294472459.db2.gz YFEYOPBPNIFLTI-GFCCVEGCSA-N -1 0 345.424 3.111 20 30 EGEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1ccc(Oc2ccccc2)o1 ZINC000176539904 1294614078 /nfs/dbraw/zinc/61/40/78/1294614078.db2.gz WPHSPGHPHNAOAQ-OAHLLOKOSA-N -1 0 338.363 3.453 20 30 EGEDRM CC(C)NC(=O)Nc1ccccc1C(=O)Nc1cc(C#N)ccc1[O-] ZINC000179732167 1294819980 /nfs/dbraw/zinc/81/99/80/1294819980.db2.gz NZKYPWZDJNQXAX-UHFFFAOYSA-N -1 0 338.367 3.046 20 30 EGEDRM C#CCCCCC(=O)[N-]S(=O)(=O)c1cc(C(C)(C)C)ccc1C ZINC000180729435 1294911035 /nfs/dbraw/zinc/91/10/35/1294911035.db2.gz RDSIXWQSWJWQDN-UHFFFAOYSA-N -1 0 335.469 3.291 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1csc(-c2ccc(C)o2)n1 ZINC000193382213 1295860340 /nfs/dbraw/zinc/86/03/40/1295860340.db2.gz DIZWBENOOAMYOW-GFCCVEGCSA-N -1 0 345.424 3.340 20 30 EGEDRM C=CCn1c(=O)c2ccc(C(=O)NC(C)(C)CCC)cc2[n-]c1=S ZINC000194176265 1295951788 /nfs/dbraw/zinc/95/17/88/1295951788.db2.gz AUECTRWFTNXNDV-UHFFFAOYSA-N -1 0 345.468 3.180 20 30 EGEDRM COc1ccc(C(=O)/C=C\c2cccc(O[C@@H](C)C(=O)[O-])c2)cc1 ZINC000208114747 1296098611 /nfs/dbraw/zinc/09/86/11/1296098611.db2.gz FLZYNMXHBKCGGT-GXJZLWQJSA-N -1 0 326.348 3.443 20 30 EGEDRM C=CC[C@@H](NC(=O)Nc1ccc(Br)c(Cl)c1)C(=O)[O-] ZINC000232178343 1296172916 /nfs/dbraw/zinc/17/29/16/1296172916.db2.gz HQHFSNYXGONXTB-SNVBAGLBSA-N -1 0 347.596 3.253 20 30 EGEDRM CCOc1cc(C=Nn2c(=S)[n-]nc2-c2ccco2)ccc1O ZINC000254876323 1296479257 /nfs/dbraw/zinc/47/92/57/1296479257.db2.gz IFWDKBLFEMTLLZ-UHFFFAOYSA-N -1 0 330.369 3.187 20 30 EGEDRM O=C([O-])CCOc1ccc(/C=C\C(=O)c2ccc(Cl)nc2)cc1 ZINC000255769162 1296568130 /nfs/dbraw/zinc/56/81/30/1296568130.db2.gz JHUGHAVKBSPNCH-CLTKARDFSA-N -1 0 331.755 3.485 20 30 EGEDRM COc1cccc(/C=C\C(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1OC ZINC000255828512 1296568610 /nfs/dbraw/zinc/56/86/10/1296568610.db2.gz UIXSFZGXGFHXBN-VURMDHGXSA-N -1 0 329.308 3.214 20 30 EGEDRM N#CCc1cccc(NC(=O)c2ccc(Br)c([O-])c2)c1 ZINC000313467499 1297122082 /nfs/dbraw/zinc/12/20/82/1297122082.db2.gz PNHUCDKSYPORCW-UHFFFAOYSA-N -1 0 331.169 3.473 20 30 EGEDRM CC(C)C[C@@](C)(CC(=O)[O-])C(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000872854595 1297142279 /nfs/dbraw/zinc/14/22/79/1297142279.db2.gz DTNCGFRQXIFEKC-UGSOOPFHSA-N -1 0 332.400 3.443 20 30 EGEDRM Cc1nc(-c2ccc(C)cc2)sc1C([O-])=C(C#N)C(=O)NC1CC1 ZINC000873499096 1297544593 /nfs/dbraw/zinc/54/45/93/1297544593.db2.gz WZZUIOJSTNKEST-CQSZACIVSA-N -1 0 339.420 3.028 20 30 EGEDRM COc1cc(/C=C\C(=O)c2occc2C)ccc1OCCC(=O)[O-] ZINC000588460337 1298067417 /nfs/dbraw/zinc/06/74/17/1298067417.db2.gz MOJBDLUVZWHGLI-HYXAFXHYSA-N -1 0 330.336 3.346 20 30 EGEDRM O=C([O-])COc1cccc(/C=C2/Oc3cc(F)cc(F)c3C2=O)c1 ZINC000588450310 1298067444 /nfs/dbraw/zinc/06/74/44/1298067444.db2.gz XLVALVXFSJLSIC-LHHJGKSTSA-N -1 0 332.258 3.044 20 30 EGEDRM O=C([O-])CCOc1cccc(/C=C2/Oc3cc(F)cc(F)c3C2=O)c1 ZINC000588450208 1298067469 /nfs/dbraw/zinc/06/74/69/1298067469.db2.gz LXKNEYUTYLGNPD-VIZOYTHASA-N -1 0 346.285 3.435 20 30 EGEDRM CON=Cc1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)cc1 ZINC000588587484 1298088316 /nfs/dbraw/zinc/08/83/16/1298088316.db2.gz GLCDOSPRLXTYHE-HNNXBMFYSA-N -1 0 330.347 3.100 20 30 EGEDRM O=C([O-])COc1cccc(C(=O)C=Cc2nc(-c3ccccc3)c[nH]2)c1 ZINC000588599301 1298091099 /nfs/dbraw/zinc/09/10/99/1298091099.db2.gz PIGCULCSLQZADR-KTKRTIGZSA-N -1 0 348.358 3.436 20 30 EGEDRM COc1cc(C=NNc2cc(F)c(F)c(F)c2)cc([N+](=O)[O-])c1[O-] ZINC000747638269 1298814761 /nfs/dbraw/zinc/81/47/61/1298814761.db2.gz KBAWBPMGRMZEJR-UHFFFAOYSA-N -1 0 341.245 3.172 20 30 EGEDRM COc1ccccc1-c1cc(C(=O)Nc2cc(C#N)ccc2[O-])no1 ZINC000748411947 1299004122 /nfs/dbraw/zinc/00/41/22/1299004122.db2.gz FGEUCPNCIAORNF-UHFFFAOYSA-N -1 0 335.319 3.180 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)c2cccc(Nc3ncccn3)c2)c1 ZINC000748410687 1299005232 /nfs/dbraw/zinc/00/52/32/1299005232.db2.gz PFXWGSPKPNDLSZ-UHFFFAOYSA-N -1 0 331.335 3.050 20 30 EGEDRM C[C@@H](Oc1cccc(C(=O)/C=C\c2ccc(Cl)nc2)c1)C(=O)[O-] ZINC000748998117 1299122458 /nfs/dbraw/zinc/12/24/58/1299122458.db2.gz NQYNSOGXCZITLV-JPVGGKMYSA-N -1 0 331.755 3.483 20 30 EGEDRM C=CCCCC(=O)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000749034273 1299130736 /nfs/dbraw/zinc/13/07/36/1299130736.db2.gz YXNPUKDLHZGRAN-UHFFFAOYSA-N -1 0 339.310 3.006 20 30 EGEDRM Cn1c(Cl)nc(Cl)c1/C=C\C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000749588430 1299240024 /nfs/dbraw/zinc/24/00/24/1299240024.db2.gz JAVUDQHYGSZXIR-HYXAFXHYSA-N -1 0 342.138 3.237 20 30 EGEDRM CCn1nc(C)c(C(=O)/C=C\c2cccc(OCCC(=O)[O-])c2)c1C ZINC000750909351 1299476306 /nfs/dbraw/zinc/47/63/06/1299476306.db2.gz KZJFHCZJSNONMW-HJWRWDBZSA-N -1 0 342.395 3.269 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])cc1C=NNc1ncccc1C(F)(F)F ZINC000751130320 1299513871 /nfs/dbraw/zinc/51/38/71/1299513871.db2.gz IJPBMMOJXBWVLO-UHFFFAOYSA-N -1 0 326.234 3.160 20 30 EGEDRM Cc1nnc([S-])n(N=C[C@@H](C)Cc2ccc(C(C)(C)C)cc2)c1=O ZINC000754701895 1300194422 /nfs/dbraw/zinc/19/44/22/1300194422.db2.gz YVPXIWVJWNIUBW-LBPRGKRZSA-N -1 0 344.484 3.246 20 30 EGEDRM CC(=NNc1nnc(C)c(=O)[n-]1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000754700725 1300194711 /nfs/dbraw/zinc/19/47/11/1300194711.db2.gz MKPABJUDALYLIN-UHFFFAOYSA-N -1 0 345.712 3.394 20 30 EGEDRM O=C([O-])c1csc(C=NN=c2nc[nH]c3sc4c(c32)CCC4)c1 ZINC000755520984 1300353499 /nfs/dbraw/zinc/35/34/99/1300353499.db2.gz JIVIOMGPNMGBIL-UHFFFAOYSA-N -1 0 344.421 3.386 20 30 EGEDRM Cn1cc(C=Nn2c(=O)c3ccccc3[n-]c2=S)c2ccccc21 ZINC000755617536 1300367109 /nfs/dbraw/zinc/36/71/09/1300367109.db2.gz NDPFLZXQMOWSFX-UHFFFAOYSA-N -1 0 334.404 3.059 20 30 EGEDRM CCCCCCCCCC(=O)[N-]S(=O)(=O)c1cnc(C)s1 ZINC000755886604 1300409641 /nfs/dbraw/zinc/40/96/41/1300409641.db2.gz LXCUYAYUIOXHRT-UHFFFAOYSA-N -1 0 332.491 3.397 20 30 EGEDRM CCC(=NNCc1ccc(C#N)cc1)c1cc(C(=O)[O-])ccc1F ZINC000756895518 1300584235 /nfs/dbraw/zinc/58/42/35/1300584235.db2.gz QKNXAXLXKJRVGT-UHFFFAOYSA-N -1 0 325.343 3.299 20 30 EGEDRM C=C[C@@H](CC(=O)OCC(=O)[N-]OCc1ccccc1)c1ccccc1 ZINC000758911449 1300977483 /nfs/dbraw/zinc/97/74/83/1300977483.db2.gz BIDFASMKZAUPHE-KRWDZBQOSA-N -1 0 339.391 3.138 20 30 EGEDRM O=C(/C=C/c1cnc2ccc(Cl)cn12)c1cc([N+](=O)[O-])ccc1[O-] ZINC000759090843 1301013443 /nfs/dbraw/zinc/01/34/43/1301013443.db2.gz OCCUFFGEABANDF-HWKANZROSA-N -1 0 343.726 3.498 20 30 EGEDRM COCCOc1ccc(/C=C/C(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000759092647 1301014050 /nfs/dbraw/zinc/01/40/50/1301014050.db2.gz YZANEGOANRPDSW-XBXARRHUSA-N -1 0 343.335 3.222 20 30 EGEDRM C=C[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc(C)s1)c1ccccc1 ZINC000759173814 1301031210 /nfs/dbraw/zinc/03/12/10/1301031210.db2.gz WTYBNOXMDRZMBE-ZDUSSCGKSA-N -1 0 335.450 3.221 20 30 EGEDRM O=C([O-])Cc1ccc(C(=O)/C=C\c2cccc(-n3cccn3)c2)cc1 ZINC000760264199 1301241535 /nfs/dbraw/zinc/24/15/35/1301241535.db2.gz QRSCSBLKZCMZDI-YFHOEESVSA-N -1 0 332.359 3.396 20 30 EGEDRM CC#CCCOC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000760273942 1301244085 /nfs/dbraw/zinc/24/40/85/1301244085.db2.gz NAHVFQPUDDIXTO-UHFFFAOYSA-N -1 0 349.433 3.119 20 30 EGEDRM Fc1cccc2[nH]cc(C=Nn3c(=S)[n-]nc3C(F)(F)F)c21 ZINC000763347171 1301882891 /nfs/dbraw/zinc/88/28/91/1301882891.db2.gz ZNOVCEIHRZUZFW-UHFFFAOYSA-N -1 0 329.282 3.088 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc2nc(C)sc2c1 ZINC000763930466 1301983195 /nfs/dbraw/zinc/98/31/95/1301983195.db2.gz NCBUPWBUKUVZSU-CYBMUJFWSA-N -1 0 329.425 3.234 20 30 EGEDRM O=C([O-])c1ccc2c(C=NNc3cc(F)c(F)c(F)c3)[nH]nc2c1 ZINC000765582791 1302286080 /nfs/dbraw/zinc/28/60/80/1302286080.db2.gz ZNJSEFSTUFUEKH-UHFFFAOYSA-N -1 0 334.257 3.124 20 30 EGEDRM CCc1cnccc1C(=O)/C=C/c1cccc(OCCC(=O)[O-])c1 ZINC000766772397 1302514152 /nfs/dbraw/zinc/51/41/52/1302514152.db2.gz RPMCPBPORPMWQB-VOTSOKGWSA-N -1 0 325.364 3.394 20 30 EGEDRM COc1ccc(N=NC(C)c2cccc(C(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000767803721 1302766969 /nfs/dbraw/zinc/76/69/69/1302766969.db2.gz PQCSNLGZEDGLGV-UHFFFAOYSA-N -1 0 329.312 3.138 20 30 EGEDRM C[C@H](Oc1cccc(C(=O)/C=C\c2cccc3nccn32)c1)C(=O)[O-] ZINC000769610089 1303146511 /nfs/dbraw/zinc/14/65/11/1303146511.db2.gz NVMWDBNXODNGBR-YXVBKTCISA-N -1 0 336.347 3.082 20 30 EGEDRM Cc1ccc(N(CCC#N)C(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000772504913 1303539810 /nfs/dbraw/zinc/53/98/10/1303539810.db2.gz AAXNIYCHLZNPFU-UHFFFAOYSA-N -1 0 325.324 3.169 20 30 EGEDRM C=CCS(=O)(=O)[N-]C(=O)CCCCc1ccc(C(C)(C)C)cc1 ZINC000772718231 1303568139 /nfs/dbraw/zinc/56/81/39/1303568139.db2.gz ZJRHAUKCMCPGRP-UHFFFAOYSA-N -1 0 337.485 3.329 20 30 EGEDRM CCC(=Nn1c(=O)c2ccccc2[n-]c1=S)c1ccc(C#N)cc1 ZINC000773034035 1303612206 /nfs/dbraw/zinc/61/22/06/1303612206.db2.gz YEMKWSIFWONRBV-UHFFFAOYSA-N -1 0 334.404 3.219 20 30 EGEDRM COC[C@@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])c1ccc(F)c(F)c1 ZINC000773152115 1303634515 /nfs/dbraw/zinc/63/45/15/1303634515.db2.gz QFRHCGROWJZBPC-XXZGICNZSA-N -1 0 336.294 3.385 20 30 EGEDRM Cc1nc(-c2ccccc2C)sc1C([O-])=C(C#N)C(=O)NC1CC1 ZINC000773980340 1303760313 /nfs/dbraw/zinc/76/03/13/1303760313.db2.gz RLKYXCPEOZMQBS-AWEZNQCLSA-N -1 0 339.420 3.028 20 30 EGEDRM CC(=O)c1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)o1 ZINC000774043159 1303767430 /nfs/dbraw/zinc/76/74/30/1303767430.db2.gz NCISNZQQMMIDOI-GFCCVEGCSA-N -1 0 330.727 3.097 20 30 EGEDRM Cc1nc(C2CCCCC2)sc1C([O-])=C(C#N)C(=O)NC1CC1 ZINC000775228084 1303927389 /nfs/dbraw/zinc/92/73/89/1303927389.db2.gz SJFJBXIUZZCFHA-ZDUSSCGKSA-N -1 0 331.441 3.100 20 30 EGEDRM COc1cccc(OC)c1/C=C/C(=O)c1ccc(CC(=O)[O-])cc1 ZINC000776190494 1304110248 /nfs/dbraw/zinc/11/02/48/1304110248.db2.gz WSWQSCNACSCYPG-ZHACJKMWSA-N -1 0 326.348 3.227 20 30 EGEDRM C=CCC[C@H](C(=O)[N-]S(=O)(=O)c1ccsc1)c1ccccc1 ZINC000778683282 1304479734 /nfs/dbraw/zinc/47/97/34/1304479734.db2.gz YZOKRTRTLJZNCY-HNNXBMFYSA-N -1 0 335.450 3.303 20 30 EGEDRM C=CCC[C@H](NC(=O)N[C@@H](CC(F)F)C(=O)[O-])c1ccccc1 ZINC000780689718 1304725448 /nfs/dbraw/zinc/72/54/48/1304725448.db2.gz KNJFRIQNOTXSBY-STQMWFEESA-N -1 0 326.343 3.102 20 30 EGEDRM C[C@H](Oc1cccc(/C=C\C(=O)c2ccnc(Cl)c2)c1)C(=O)[O-] ZINC000782186386 1304927209 /nfs/dbraw/zinc/92/72/09/1304927209.db2.gz YIIIJUKBOMQPOK-GZTOBOFZSA-N -1 0 331.755 3.483 20 30 EGEDRM CCCCCCCCC(=O)[N-]S(=O)(=O)c1cn(CC(C)C)cn1 ZINC000782702091 1305005618 /nfs/dbraw/zinc/00/56/18/1305005618.db2.gz KWTGUEPEBIUWIS-UHFFFAOYSA-N -1 0 343.493 3.095 20 30 EGEDRM O=C(C/N=C\c1cc([N+](=O)[O-])ccc1[O-])OCc1ccc(Cl)cc1 ZINC000783685395 1305128720 /nfs/dbraw/zinc/12/87/20/1305128720.db2.gz OFSUJVJHEYZGIM-LSCVHKIXSA-N -1 0 348.742 3.116 20 30 EGEDRM CCCCC[C@](C)(CC)C(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1 ZINC000784850550 1305286541 /nfs/dbraw/zinc/28/65/41/1305286541.db2.gz PFQLVZTZDPJQFP-SFHVURJKSA-N -1 0 344.415 3.346 20 30 EGEDRM Cc1ccc(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)cc1 ZINC000786547814 1305595254 /nfs/dbraw/zinc/59/52/54/1305595254.db2.gz XUNNUQDULDHAPJ-INIZCTEOSA-N -1 0 326.783 3.287 20 30 EGEDRM CCc1ccc(C([O-])=C(C#N)C(=O)NCc2ccc(F)cc2F)s1 ZINC000786562583 1305599821 /nfs/dbraw/zinc/59/98/21/1305599821.db2.gz YLWSQKJHXZXSMK-CYBMUJFWSA-N -1 0 348.374 3.228 20 30 EGEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1ccnn1C(C)C)c1ccccc1 ZINC000787035425 1305679525 /nfs/dbraw/zinc/67/95/25/1305679525.db2.gz MROOKJJRJOEKLB-HOTGVXAUSA-N -1 0 338.411 3.054 20 30 EGEDRM C[C@@H]1CCc2[nH]nc(C([O-])=C(C#N)c3cc(C(F)(F)F)ccn3)c2C1 ZINC000893061341 1305685760 /nfs/dbraw/zinc/68/57/60/1305685760.db2.gz KXQOLMSFRQYPBO-SKDRFNHKSA-N -1 0 348.328 3.438 20 30 EGEDRM COC(=O)c1cc(N=Cc2cc([N+](=O)[O-])ccc2[O-])c(C)cc1C ZINC000788284018 1305914318 /nfs/dbraw/zinc/91/43/18/1305914318.db2.gz AAEWXTPZYWZJOW-UHFFFAOYSA-N -1 0 328.324 3.454 20 30 EGEDRM COc1ncc(C(=O)/C=C\c2ccc([N+](=O)[O-])c([O-])c2)cc1Cl ZINC000789156495 1306100525 /nfs/dbraw/zinc/10/05/25/1306100525.db2.gz AKKONHJOJOKTTK-HYXAFXHYSA-N -1 0 334.715 3.254 20 30 EGEDRM CCc1cncc(C([O-])=C(C#N)C(=O)N[C@H](CC)c2ccccc2)c1 ZINC000789491575 1306169902 /nfs/dbraw/zinc/16/99/02/1306169902.db2.gz JWJNTSWIDLUTOH-ZWKOTPCHSA-N -1 0 335.407 3.234 20 30 EGEDRM Cc1nnc(NN=C2CCCc3[nH]c4ccc(Cl)cc4c32)[n-]c1=O ZINC000790289500 1306290232 /nfs/dbraw/zinc/29/02/32/1306290232.db2.gz JEHXIJNRUFMZGD-UHFFFAOYSA-N -1 0 342.790 3.173 20 30 EGEDRM CN(C)C(=O)c1ccc(C(=O)/C=C\c2cc(F)c([O-])c(F)c2)cc1 ZINC000792925679 1309262817 /nfs/dbraw/zinc/26/28/17/1309262817.db2.gz UUISYMADMFPKPJ-BAQGIRSFSA-N -1 0 331.318 3.268 20 30 EGEDRM CC[C@@H](NN=C1CCCc2cc(SC(F)F)ccc21)C(=O)[O-] ZINC000793056813 1309288482 /nfs/dbraw/zinc/28/84/82/1309288482.db2.gz XQBOUPIXMUBWOJ-GFCCVEGCSA-N -1 0 328.384 3.495 20 30 EGEDRM CC[C@H](NN=Cc1ccc(-c2cccc([N+](=O)[O-])c2)s1)C(=O)[O-] ZINC000793057189 1309288514 /nfs/dbraw/zinc/28/85/14/1309288514.db2.gz MFFBPVBFDHWGTC-ZDUSSCGKSA-N -1 0 333.369 3.110 20 30 EGEDRM CC[C@H](NN=Cc1ccc(Oc2ccc(OC)cc2)cc1)C(=O)[O-] ZINC000793077867 1309291489 /nfs/dbraw/zinc/29/14/89/1309291489.db2.gz IYXQXRODUODUGY-KRWDZBQOSA-N -1 0 328.368 3.274 20 30 EGEDRM C[C@H](Oc1cccc(/C=C2\COc3cc(F)ccc3C2=O)c1)C(=O)[O-] ZINC000794728287 1309585415 /nfs/dbraw/zinc/58/54/15/1309585415.db2.gz OCNRBEZRJSGQMI-DELQEKLWSA-N -1 0 342.322 3.336 20 30 EGEDRM C[C@@H](Oc1cccc(/C=C2\COc3cc(F)ccc3C2=O)c1)C(=O)[O-] ZINC000794728292 1309585511 /nfs/dbraw/zinc/58/55/11/1309585511.db2.gz OCNRBEZRJSGQMI-ZTFCMROMSA-N -1 0 342.322 3.336 20 30 EGEDRM C[C@@H](Oc1cccc(/C=C2/CCc3ccc(O)cc3C2=O)c1)C(=O)[O-] ZINC000794960234 1309633810 /nfs/dbraw/zinc/63/38/10/1309633810.db2.gz OVERPJJECCNHRT-CDCQXCROSA-N -1 0 338.359 3.457 20 30 EGEDRM CC(C)(C#N)c1ccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)cc1 ZINC000796635030 1310052247 /nfs/dbraw/zinc/05/22/47/1310052247.db2.gz WSZXSGKWFBRSLA-QGZVFWFLSA-N -1 0 337.423 3.259 20 30 EGEDRM C=CCC(C)(C)C(=O)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000796713802 1310070638 /nfs/dbraw/zinc/07/06/38/1310070638.db2.gz UHJXVEHVMFSVPG-UHFFFAOYSA-N -1 0 335.347 3.113 20 30 EGEDRM Cc1ccnc2ccc(C([O-])=C(C#N)C(=O)NC3CCCCC3)cc12 ZINC000796785912 1310086525 /nfs/dbraw/zinc/08/65/25/1310086525.db2.gz ADNCEDYSQNLTDP-KRWDZBQOSA-N -1 0 335.407 3.315 20 30 EGEDRM CC[C@@H]1CC[C@H](C)CC1=NNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000797402291 1310184192 /nfs/dbraw/zinc/18/41/92/1310184192.db2.gz YJNJHWPACYEOCH-NWDGAFQWSA-N -1 0 339.417 3.075 20 30 EGEDRM Cn1cc(-c2ccc(/C=C\C(=O)c3ccc(O)cc3[O-])s2)cn1 ZINC000800794410 1310805261 /nfs/dbraw/zinc/80/52/61/1310805261.db2.gz FYTMRRAHAZLAGL-UTCJRWHESA-N -1 0 326.377 3.456 20 30 EGEDRM O=C([O-])c1ccc(NN=C2C(=O)Nc3cccc(C(F)(F)F)c32)cc1 ZINC000800803933 1310809503 /nfs/dbraw/zinc/80/95/03/1310809503.db2.gz PNVPVKZZCOCFHR-UHFFFAOYSA-N -1 0 349.268 3.172 20 30 EGEDRM Cn1nc(C/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1C1CC1 ZINC000899227244 1310987221 /nfs/dbraw/zinc/98/72/21/1310987221.db2.gz HSNPZLOEEXWLRK-REZTVBANSA-N -1 0 334.763 3.184 20 30 EGEDRM C#CC[C@@H](NC(=O)Nc1ccc(S[C@@H](C)CC)cc1C)C(=O)[O-] ZINC000900332691 1317275072 /nfs/dbraw/zinc/27/50/72/1317275072.db2.gz FIQSSIPZLRGKLX-SWLSCSKDSA-N -1 0 334.441 3.484 20 30 EGEDRM C=CCC[C@@H](NC(=O)Nc1cc(C)c(OC)cc1Cl)C(=O)[O-] ZINC000900341150 1317277202 /nfs/dbraw/zinc/27/72/02/1317277202.db2.gz UGUHXAIYANBWQM-LLVKDONJSA-N -1 0 326.780 3.198 20 30 EGEDRM C=CCCCCCCNC(=O)c1cc(F)ccc1[N-]S(C)(=O)=O ZINC000805220490 1317327346 /nfs/dbraw/zinc/32/73/46/1317327346.db2.gz UCTNWAULJJDPMU-UHFFFAOYSA-N -1 0 342.436 3.064 20 30 EGEDRM CC(=NNc1ccc(C(=O)[O-])c(F)c1)c1ccnn1CC1CCC1 ZINC000901248973 1317396875 /nfs/dbraw/zinc/39/68/75/1317396875.db2.gz PPRNJOMZXJOBEJ-UHFFFAOYSA-N -1 0 330.363 3.357 20 30 EGEDRM Cc1nc(/C=C/C(=O)c2ccc(OCCCC(=O)[O-])cc2)[nH]c1C ZINC000901427045 1317424680 /nfs/dbraw/zinc/42/46/80/1317424680.db2.gz ZQAHTSFOOGKGLH-MDZDMXLPSA-N -1 0 328.368 3.166 20 30 EGEDRM CC(C)n1cncc1/C=C/C(=O)c1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000901468891 1317433144 /nfs/dbraw/zinc/43/31/44/1317433144.db2.gz OYGYHAZHRODQEV-SBDDDAINSA-N -1 0 328.368 3.212 20 30 EGEDRM Cc1cc(/C=C/C(=O)c2cccc(C(=O)[O-])c2)ccc1-n1cncn1 ZINC000806559085 1317500638 /nfs/dbraw/zinc/50/06/38/1317500638.db2.gz UGSDTNRDRVUYGN-SOFGYWHQSA-N -1 0 333.347 3.170 20 30 EGEDRM O=C([O-])CCOc1cccc(/C=C2\Cc3nc(Cl)ccc3C2=O)c1 ZINC000806579301 1317506418 /nfs/dbraw/zinc/50/64/18/1317506418.db2.gz BXONGFGIGNISRB-XYOKQWHBSA-N -1 0 343.766 3.411 20 30 EGEDRM C=CCC1(C(=O)[N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)CCC1 ZINC000809010970 1317758831 /nfs/dbraw/zinc/75/88/31/1317758831.db2.gz LICLXYUJOIBCPH-UHFFFAOYSA-N -1 0 349.786 3.170 20 30 EGEDRM N#CC1(CS(=O)(=O)[N-]C(=O)c2ccc(C3CCCC3)cc2)CCC1 ZINC000810692131 1318045149 /nfs/dbraw/zinc/04/51/49/1318045149.db2.gz KWJIANDGPXAYSQ-UHFFFAOYSA-N -1 0 346.452 3.098 20 30 EGEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2ccc(C(C)C)cn2)c1 ZINC000810708397 1318047165 /nfs/dbraw/zinc/04/71/65/1318047165.db2.gz DEYOBYUNAYWMOP-KRWDZBQOSA-N -1 0 335.407 3.152 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CC1 ZINC000810986420 1318086859 /nfs/dbraw/zinc/08/68/59/1318086859.db2.gz ZBBQRVGTYBWMOM-RBSFLKMASA-N -1 0 325.474 3.148 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@H](C)c2ccc(Cl)s2)CC1 ZINC000810984319 1318087190 /nfs/dbraw/zinc/08/71/90/1318087190.db2.gz ZMCZCSAZWYCEJU-SECBINFHSA-N -1 0 333.862 3.060 20 30 EGEDRM CC(=NNC[C@H]1CCSC1)c1cc(Br)cc(F)c1[O-] ZINC000811659718 1318221412 /nfs/dbraw/zinc/22/14/12/1318221412.db2.gz WYNJSDXATYPTFS-SECBINFHSA-N -1 0 347.253 3.361 20 30 EGEDRM O=C([O-])c1cc(/C=C/C(=O)c2ccc(Br)nc2)ccc1O ZINC000811696421 1318229791 /nfs/dbraw/zinc/22/97/91/1318229791.db2.gz MPZMHYBKQDAPGE-DAFODLJHSA-N -1 0 348.152 3.144 20 30 EGEDRM O=C([O-])COc1cccc(/C=C2\Oc3cccc(Cl)c3C2=O)c1 ZINC000811699500 1318230401 /nfs/dbraw/zinc/23/04/01/1318230401.db2.gz SLOBZWIUUSVOAA-ZSOIEALJSA-N -1 0 330.723 3.420 20 30 EGEDRM C=CCC[C@@H](NC(=O)c1c(Cl)cccc1OCC1CC1)C(=O)[O-] ZINC000907659372 1318245484 /nfs/dbraw/zinc/24/54/84/1318245484.db2.gz COGGKUFRGUFRAP-CYBMUJFWSA-N -1 0 337.803 3.278 20 30 EGEDRM C#C[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccc(Cl)cc1 ZINC000812351567 1318373528 /nfs/dbraw/zinc/37/35/28/1318373528.db2.gz OWBCHEYQVOKXMO-ZDUSSCGKSA-N -1 0 330.727 3.058 20 30 EGEDRM CCc1nc2ccc(Cl)cn2c1C(=O)Nc1cc(C#N)ccc1[O-] ZINC000812525739 1318405906 /nfs/dbraw/zinc/40/59/06/1318405906.db2.gz LKYMZQWQSNPOLC-UHFFFAOYSA-N -1 0 340.770 3.380 20 30 EGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)c1ncn(C(C)(C)C)n1 ZINC000813058412 1318493103 /nfs/dbraw/zinc/49/31/03/1318493103.db2.gz XPBXXVKMKHTUGG-CYBMUJFWSA-N -1 0 349.394 3.028 20 30 EGEDRM C=CCC(C)(C)C(=O)Nc1cccc(-n2ncc(C(=O)[O-])c2C)c1 ZINC000909639985 1318509340 /nfs/dbraw/zinc/50/93/40/1318509340.db2.gz IRBCUOPJDAQCEL-UHFFFAOYSA-N -1 0 327.384 3.420 20 30 EGEDRM C#CCCCCC(=O)NCc1cccc(-c2nc(C(=O)[O-])cs2)c1 ZINC000909808641 1318525365 /nfs/dbraw/zinc/52/53/65/1318525365.db2.gz KZRSPCLVGBRION-UHFFFAOYSA-N -1 0 342.420 3.318 20 30 EGEDRM CCCCC1N=NC(=S)N1N=Cc1cccc(C(=O)[O-])c1Cl ZINC000814723163 1318805691 /nfs/dbraw/zinc/80/56/91/1318805691.db2.gz KAKRKPJRJZOHBC-UHFFFAOYSA-N -1 0 338.820 3.143 20 30 EGEDRM COc1ccc(C(CCC(C)C)=NNc2nnc(C)c(=O)[n-]2)cc1 ZINC000814734910 1318807906 /nfs/dbraw/zinc/80/79/06/1318807906.db2.gz KQNFLPFFDPAYSK-UHFFFAOYSA-N -1 0 329.404 3.147 20 30 EGEDRM Cn1c2ccccc2nc1NN=Cc1cccc(C(=O)[O-])c1Cl ZINC000814807393 1318821871 /nfs/dbraw/zinc/82/18/71/1318821871.db2.gz RZOAWUCLEUCXIK-UHFFFAOYSA-N -1 0 328.759 3.371 20 30 EGEDRM CC(C)c1nc(C#N)c(N=NCc2cccc(C(=O)[O-])c2Cl)o1 ZINC000814820483 1318823780 /nfs/dbraw/zinc/82/37/80/1318823780.db2.gz FFJBBTGZZQQRJT-UHFFFAOYSA-N -1 0 332.747 3.467 20 30 EGEDRM CC(N=Nc1oc(C(C)(C)C)nc1C#N)c1csc(C(=O)[O-])c1 ZINC000814821609 1318825663 /nfs/dbraw/zinc/82/56/63/1318825663.db2.gz CLLFVCMDWKDEAA-UHFFFAOYSA-N -1 0 332.385 3.440 20 30 EGEDRM Cc1nc(Cl)cc(N=NC2CC(C(=O)[O-])(c3ccccc3)C2)n1 ZINC000814855754 1318832241 /nfs/dbraw/zinc/83/22/41/1318832241.db2.gz RRHWGMBZOGSYDI-UHFFFAOYSA-N -1 0 330.775 3.023 20 30 EGEDRM CC(CCc1ccc(OCCC(=O)[O-])cc1)=NOCC(F)(F)F ZINC000814880471 1318836670 /nfs/dbraw/zinc/83/66/70/1318836670.db2.gz FNADFPITYUYVLD-UHFFFAOYSA-N -1 0 333.306 3.428 20 30 EGEDRM C[C@@H](Oc1cccc(C=NNc2ccc(F)c(F)c2F)c1)C(=O)[O-] ZINC000814945290 1318857246 /nfs/dbraw/zinc/85/72/46/1318857246.db2.gz UPMLGRDKLZCZKT-SECBINFHSA-N -1 0 338.285 3.402 20 30 EGEDRM Cc1c(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)ccn1C(C)C ZINC000816037792 1319092510 /nfs/dbraw/zinc/09/25/10/1319092510.db2.gz XUNYFPYYUHTSIK-SFHVURJKSA-N -1 0 337.423 3.325 20 30 EGEDRM C#CCCCCCC(=O)[N-]S(=O)(=O)[C@@H](c1ccccc1)C(C)C ZINC000816113487 1319104260 /nfs/dbraw/zinc/10/42/60/1319104260.db2.gz UPHJATHQCZRQSA-GOSISDBHSA-N -1 0 335.469 3.413 20 30 EGEDRM N#Cc1nc(NC(=O)c2occc2CSc2ccccc2)[n-]c1C#N ZINC000914535298 1319342397 /nfs/dbraw/zinc/34/23/97/1319342397.db2.gz AKYNXPHLQSYHOH-UHFFFAOYSA-N -1 0 349.375 3.291 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])c(/C=N\Cc2cc(Cl)c3c(c2)OCCO3)c1 ZINC000915112966 1319424273 /nfs/dbraw/zinc/42/42/73/1319424273.db2.gz LIBQKAGOPDEIRP-NVMNQCDNSA-N -1 0 348.742 3.344 20 30 EGEDRM Cc1cc(O)cc2c1C(=O)C(=N[N-]c1ccc(C(F)(F)F)cn1)O2 ZINC000915936909 1319566000 /nfs/dbraw/zinc/56/60/00/1319566000.db2.gz GPECWAYHZMLIMT-UHFFFAOYSA-N -1 0 337.257 3.115 20 30 EGEDRM C[C@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])c1ccc2c(c1)CCC(=O)N2 ZINC000915982082 1319579152 /nfs/dbraw/zinc/57/91/52/1319579152.db2.gz OIIORIYCUQMTHL-ORPVNXHJSA-N -1 0 339.351 3.365 20 30 EGEDRM FC(F)(F)c1n[n-]c(=S)n1N=Cc1cccc(C(F)(F)F)c1 ZINC000916305622 1319637121 /nfs/dbraw/zinc/63/71/21/1319637121.db2.gz YHQZPWWOXRRTME-UHFFFAOYSA-N -1 0 340.252 3.487 20 30 EGEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1cc2c(cccc2Cl)s1 ZINC000916870470 1319717638 /nfs/dbraw/zinc/71/76/38/1319717638.db2.gz BIKRFUNEDSKSGO-NSHDSACASA-N -1 0 332.812 3.500 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(C(F)(F)F)cn1 ZINC000916875805 1319718395 /nfs/dbraw/zinc/71/83/95/1319718395.db2.gz JRSOQQKMPOWPMY-LBPRGKRZSA-N -1 0 341.333 3.119 20 30 EGEDRM C=CCNC(=O)C(C#N)=C([O-])c1ccc(Oc2ccc(F)cc2)cc1 ZINC000916916701 1319724642 /nfs/dbraw/zinc/72/46/42/1319724642.db2.gz ABSMMTVASPYGHP-KRWDZBQOSA-N -1 0 338.338 3.243 20 30 EGEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1cc2ccc(F)cc2s1 ZINC000917040986 1319742650 /nfs/dbraw/zinc/74/26/50/1319742650.db2.gz CMGPNOUUCUIGMF-CYBMUJFWSA-N -1 0 330.384 3.422 20 30 EGEDRM CC(=NNc1[n-]cnc2ncnc1-2)c1ccc2c3c(cccc31)CC2 ZINC000917556111 1319836284 /nfs/dbraw/zinc/83/62/84/1319836284.db2.gz UBTOBRCVMZSSLB-UHFFFAOYSA-N -1 0 328.379 3.441 20 30 EGEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N\Cc2nnc(C3CC3)s2)c1[O-] ZINC000840712051 1321132343 /nfs/dbraw/zinc/13/23/43/1321132343.db2.gz FOGIGWIWLLITLK-WCSRMQSCSA-N -1 0 338.776 3.302 20 30 EGEDRM C#CCCCS(=O)(=O)[N-]c1nc(C)c(Cc2ccccc2)s1 ZINC000840946486 1321183925 /nfs/dbraw/zinc/18/39/25/1321183925.db2.gz OQELNTROZJMEJU-UHFFFAOYSA-N -1 0 334.466 3.197 20 30 EGEDRM C#CCCCS(=O)(=O)[N-]c1ncc(Cc2ccccc2F)s1 ZINC000840946911 1321184037 /nfs/dbraw/zinc/18/40/37/1321184037.db2.gz XKBBCBGLNZMBAA-UHFFFAOYSA-N -1 0 338.429 3.028 20 30 EGEDRM Cc1cccc2[nH]c(C(C#N)=C([O-])[C@@H](C)C(=O)OC(C)(C)C)nc21 ZINC000842308874 1321370153 /nfs/dbraw/zinc/37/01/53/1321370153.db2.gz WBHFEKLISDQYLQ-NEPJUHHUSA-N -1 0 327.384 3.025 20 30 EGEDRM C[C@@H](NCc1ccc(N(C)CCC#N)cc1)c1ncc(C(=O)[O-])s1 ZINC000843305899 1321500503 /nfs/dbraw/zinc/50/05/03/1321500503.db2.gz IRSHYVFXQJFQNI-GFCCVEGCSA-N -1 0 344.440 3.042 20 30 EGEDRM C#CC1CCN(C(=O)c2nn(-c3cccc(C(C)C)c3)cc2[O-])CC1 ZINC000844046412 1321568076 /nfs/dbraw/zinc/56/80/76/1321568076.db2.gz FOVXWYLSPSRWHE-UHFFFAOYSA-N -1 0 337.423 3.187 20 30 EGEDRM Cc1c(N=NCC[C@H]2CCCCC23OCCO3)cccc1C(=O)[O-] ZINC000844625263 1321627136 /nfs/dbraw/zinc/62/71/36/1321627136.db2.gz XSIHQTURHGYNIF-CQSZACIVSA-N -1 0 332.400 3.414 20 30 EGEDRM CC(C)c1[nH]ccc1C([O-])=C(C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC000845526218 1321716270 /nfs/dbraw/zinc/71/62/70/1321716270.db2.gz DWJVBWDQESPENZ-ZDUSSCGKSA-N -1 0 345.349 3.055 20 30 EGEDRM C=C(C)CO[N-]C(=O)COc1ccc(Br)cc1Cl ZINC000846540469 1321791664 /nfs/dbraw/zinc/79/16/64/1321791664.db2.gz WYVNETTXHWSXRB-UHFFFAOYSA-N -1 0 334.597 3.105 20 30 EGEDRM C[C@H](C/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-])C(=O)OC(C)(C)C ZINC000846757247 1321804978 /nfs/dbraw/zinc/80/49/78/1321804978.db2.gz WEFLUSBBSURGAJ-QQWZZVHASA-N -1 0 342.779 3.351 20 30 EGEDRM Cn1nccc1[C@H]1CCCC(N=Nc2ccc(CC(=O)[O-])cc2)C1 ZINC000848414221 1321957614 /nfs/dbraw/zinc/95/76/14/1321957614.db2.gz LEVWLVRKHPZJTM-AWEZNQCLSA-N -1 0 326.400 3.173 20 30 EGEDRM CCc1noc(C2CCC(N=Nc3ccc(CC(=O)[O-])cc3)CC2)n1 ZINC000848415002 1321958398 /nfs/dbraw/zinc/95/83/98/1321958398.db2.gz VGTHVKFGYXCRFX-UHFFFAOYSA-N -1 0 342.399 3.385 20 30 EGEDRM Cc1cc(C)n(CCC(=O)C(C#N)=C([O-])c2c(C)[nH]c3ccccc32)n1 ZINC000920106687 1322137996 /nfs/dbraw/zinc/13/79/96/1322137996.db2.gz WZBHJXNZNAPPLZ-INIZCTEOSA-N -1 0 348.406 3.272 20 30 EGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)Cn1cc(C2CC2)cn1 ZINC000850739497 1322280991 /nfs/dbraw/zinc/28/09/91/1322280991.db2.gz LWQRGOJWWZTEOQ-MRXNPFEDSA-N -1 0 346.390 3.142 20 30 EGEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1cccc(SC(F)(F)F)c1 ZINC000850753110 1322284741 /nfs/dbraw/zinc/28/47/41/1322284741.db2.gz WRJRJPXVKAJSSU-LBPRGKRZSA-N -1 0 342.342 3.243 20 30 EGEDRM N#CC1(CS(=O)(=O)[N-]C(=O)c2ccc(C3CC3)cc2)CCCCC1 ZINC000850949293 1322315589 /nfs/dbraw/zinc/31/55/89/1322315589.db2.gz VIWNILQBOSRFNP-UHFFFAOYSA-N -1 0 346.452 3.098 20 30 EGEDRM C=CCCCCCCCCNC(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000922489973 1322541583 /nfs/dbraw/zinc/54/15/83/1322541583.db2.gz UVOXAUZHDLKETQ-OAHLLOKOSA-N -1 0 349.479 3.316 20 30 EGEDRM COC(=O)c1oc(/C=C2/CCc3oc(C(=O)[O-])c(C)c3C2=O)cc1C ZINC000853004117 1323257965 /nfs/dbraw/zinc/25/79/65/1323257965.db2.gz GISIVFULFUTONO-YFHOEESVSA-N -1 0 344.319 3.187 20 30 EGEDRM Cc1c(NN=Cc2ccc(O[C@H]3CCOC3)cc2)cccc1C(=O)[O-] ZINC000853370169 1325085827 /nfs/dbraw/zinc/08/58/27/1325085827.db2.gz FNVQISPHUOUZSM-INIZCTEOSA-N -1 0 340.379 3.307 20 30 EGEDRM CCn1cc([C@@H]2OCC[C@H]2CN=Nc2cccc(C(=O)[O-])c2C)cn1 ZINC000853369975 1325085872 /nfs/dbraw/zinc/08/58/72/1325085872.db2.gz BPPHDXVQWDQFPK-SUMWQHHRSA-N -1 0 342.399 3.085 20 30 EGEDRM C[C@@H]1C[C@@H](C(=O)[O-])CCC1=NNCc1ccc(Br)cc1 ZINC000853384558 1325087411 /nfs/dbraw/zinc/08/74/11/1325087411.db2.gz LSQNWQZRIXUBPK-PWSUYJOCSA-N -1 0 339.233 3.416 20 30 EGEDRM C#CC[C@@H](NC(=O)N1CCC[C@@]1(CCC)C(=O)[O-])c1ccccc1 ZINC000929033618 1328493405 /nfs/dbraw/zinc/49/34/05/1328493405.db2.gz MOPZKEJKWPHIFC-APWZRJJASA-N -1 0 328.412 3.180 20 30 EGEDRM C=CCC[C@H](NC(=O)N[C@H](C[C@@H]1CCCO1)C(=O)[O-])c1ccccc1 ZINC000929044411 1328495350 /nfs/dbraw/zinc/49/53/50/1328495350.db2.gz MQXPQCCDBCYKRS-YESZJQIVSA-N -1 0 346.427 3.015 20 30 EGEDRM Cc1c(C(=O)/C=C/c2ccc(CC(=O)[O-])cc2)cnn1C(C)(C)C ZINC000863188955 1329533056 /nfs/dbraw/zinc/53/30/56/1329533056.db2.gz TWXZJWCKNWAIRC-MDZDMXLPSA-N -1 0 326.396 3.470 20 30 EGEDRM C=C(Cl)C[C@@H](NCc1ccc(CSC(F)F)o1)C(=O)[O-] ZINC000864518860 1329621562 /nfs/dbraw/zinc/62/15/62/1329621562.db2.gz WLCRCUCBPGKFKB-SNVBAGLBSA-N -1 0 325.764 3.421 20 30 EGEDRM C=CCCCC(=O)N[C@@H]1CCN(C(=O)c2ccccc2O)CC1(C)C ZINC001073477363 1355812013 /nfs/dbraw/zinc/81/20/13/1355812013.db2.gz IQCDRQQZHDBKIR-QGZVFWFLSA-N -1 0 344.455 3.105 20 30 EGEDRM COc1cc(NC(=O)CCC(=O)C2=CC=C[CH]2)ncc1C(F)(F)F ZINC001184241750 1387418725 /nfs/dbraw/zinc/41/87/25/1387418725.db2.gz ZMSWJRWKDLXREY-UHFFFAOYSA-N -1 0 339.293 3.097 20 30 EGEDRM C=CCN(C1CCCCC1)S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001184689423 1387509916 /nfs/dbraw/zinc/50/99/16/1387509916.db2.gz XCLAMRZLOOIBCG-UHFFFAOYSA-N -1 0 337.441 3.203 20 30 EGEDRM Cc1csc([N-]S(=O)(=O)Cc2cc(F)cc(F)c2)c1C#N ZINC001185082958 1387613199 /nfs/dbraw/zinc/61/31/99/1387613199.db2.gz BLTMOAFWRSLFBT-UHFFFAOYSA-N -1 0 328.365 3.148 20 30 EGEDRM N#Cc1cccc(F)c1[N-]S(=O)(=O)c1ccc(-c2cnco2)cc1 ZINC001185222016 1387656080 /nfs/dbraw/zinc/65/60/80/1387656080.db2.gz OARFZJRKUGMLSJ-UHFFFAOYSA-N -1 0 343.339 3.153 20 30 EGEDRM Cc1nc(C#N)ccc1[N-]S(=O)(=O)c1cc2ccccc2s1 ZINC001185429070 1387714067 /nfs/dbraw/zinc/71/40/67/1387714067.db2.gz IXZYUXCBPPHOND-UHFFFAOYSA-N -1 0 329.406 3.277 20 30 EGEDRM N#Cc1c(F)cc(F)cc1[N-]S(=O)(=O)Cc1ccc(F)cc1F ZINC001189831651 1367116729 /nfs/dbraw/zinc/11/67/29/1367116729.db2.gz QEANOAONBSIBGJ-UHFFFAOYSA-N -1 0 344.289 3.057 20 30 EGEDRM Cc1cc(C#N)c([N-]S(=O)(=O)Cc2ccc(F)cc2F)cc1F ZINC001189832002 1367116884 /nfs/dbraw/zinc/11/68/84/1367116884.db2.gz XSFJVGFZVPIZGN-UHFFFAOYSA-N -1 0 340.326 3.226 20 30 EGEDRM N#Cc1ccc2ccccc2c1[N-]S(=O)(=O)c1ncc(F)cc1F ZINC001190173722 1367190517 /nfs/dbraw/zinc/19/05/17/1367190517.db2.gz QPUZWXAVRQLEIH-UHFFFAOYSA-N -1 0 345.330 3.185 20 30 EGEDRM CC(C)Oc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2F)cc1 ZINC001190607999 1367307036 /nfs/dbraw/zinc/30/70/36/1367307036.db2.gz HMBXYBJXQADALP-UHFFFAOYSA-N -1 0 334.372 3.285 20 30 EGEDRM CC(=O)c1ccc(C)cc1[N-]S(=O)(=O)c1cc(C#N)ccc1F ZINC001190655619 1367318224 /nfs/dbraw/zinc/31/82/24/1367318224.db2.gz HOPFYNBLTIXJMR-UHFFFAOYSA-N -1 0 332.356 3.009 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)NC2(c3ccccc3F)CCC2)c1 ZINC001190676798 1367326386 /nfs/dbraw/zinc/32/63/86/1367326386.db2.gz DOELCJPBDKBCLD-UHFFFAOYSA-N -1 0 348.374 3.194 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)N[C@@H]2CCCc3c(F)cccc32)c1 ZINC001190677022 1367326513 /nfs/dbraw/zinc/32/65/13/1367326513.db2.gz HASQPJRILQSLTK-MRXNPFEDSA-N -1 0 348.374 3.192 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2C#N)CC1 ZINC001190806940 1367355299 /nfs/dbraw/zinc/35/52/99/1367355299.db2.gz XWKVYZWSQNTPGA-UHFFFAOYSA-N -1 0 330.331 3.427 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-][C@@H](c2ccc(OC)cc2)C(F)(F)F)CC1 ZINC001190824534 1367360264 /nfs/dbraw/zinc/36/02/64/1367360264.db2.gz OQTFUXWCXAFUBC-ZDUSSCGKSA-N -1 0 349.374 3.327 20 30 EGEDRM C[C@@H](O)c1cccc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC001190932512 1367384613 /nfs/dbraw/zinc/38/46/13/1367384613.db2.gz XZMQTLBUHPTUNK-SNVBAGLBSA-N -1 0 336.800 3.066 20 30 EGEDRM N#Cc1oc2ccccc2c1[N-]C(=O)c1cc(Br)no1 ZINC001191328920 1367477490 /nfs/dbraw/zinc/47/74/90/1367477490.db2.gz JOJBCMMNNVTRJP-UHFFFAOYSA-N -1 0 332.113 3.307 20 30 EGEDRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccccc1CC#N ZINC001191827715 1367604599 /nfs/dbraw/zinc/60/45/99/1367604599.db2.gz FWAIOFBINHTMFF-UHFFFAOYSA-N -1 0 330.409 3.261 20 30 EGEDRM C#Cc1ccc([N-]S(=O)(=O)c2cc(C)ccc2OCC)cc1F ZINC001191833460 1367607156 /nfs/dbraw/zinc/60/71/56/1367607156.db2.gz DUSYVVVYEQXVKW-UHFFFAOYSA-N -1 0 333.384 3.315 20 30 EGEDRM N#Cc1cc(NC(=O)c2cccc(-c3ccccn3)n2)c([O-])cc1F ZINC001192111549 1367689476 /nfs/dbraw/zinc/68/94/76/1367689476.db2.gz UWSYYEWCWGYNTH-UHFFFAOYSA-N -1 0 334.310 3.112 20 30 EGEDRM CCc1cc(C#N)ccc1[N-]S(=O)(=O)c1cnc(Cl)c(C)c1 ZINC001192568348 1367817786 /nfs/dbraw/zinc/81/77/86/1367817786.db2.gz IRZLNZPTMALMNL-UHFFFAOYSA-N -1 0 335.816 3.278 20 30 EGEDRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2cc(C)cc(C#N)c2)c1 ZINC001192817222 1367880791 /nfs/dbraw/zinc/88/07/91/1367880791.db2.gz CJNQGBOJRJJRHZ-UHFFFAOYSA-N -1 0 330.409 3.239 20 30 EGEDRM N#CCS(=O)(=O)[N-]c1cc(Br)c(Cl)cc1Cl ZINC001192985807 1367916608 /nfs/dbraw/zinc/91/66/08/1367916608.db2.gz OKXUDVQZNHAIGT-UHFFFAOYSA-N -1 0 344.017 3.021 20 30 EGEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2ccccc2C(C)C)c1 ZINC001193636636 1368080976 /nfs/dbraw/zinc/08/09/76/1368080976.db2.gz XBMDKYDGHABUSY-UHFFFAOYSA-N -1 0 330.409 3.491 20 30 EGEDRM N#Cc1cccc(C(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)c1[O-] ZINC001193646452 1368083349 /nfs/dbraw/zinc/08/33/49/1368083349.db2.gz KEDZXHUPSACAKK-UHFFFAOYSA-N -1 0 335.338 3.083 20 30 EGEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cccc(SC)c2)c1 ZINC001193679471 1368092899 /nfs/dbraw/zinc/09/28/99/1368092899.db2.gz CURSIDXQHPVZJI-UHFFFAOYSA-N -1 0 334.422 3.090 20 30 EGEDRM CC(C)c1cccc(S(=O)(=O)[N-]c2c(C#N)cnn2C(C)(C)C)c1 ZINC001195116643 1368381927 /nfs/dbraw/zinc/38/19/27/1368381927.db2.gz SDZKKABCLRIANK-UHFFFAOYSA-N -1 0 346.456 3.434 20 30 EGEDRM CC(C)c1cccc(S(=O)(=O)[N-]c2c(C#N)cccc2C#N)c1 ZINC001195153268 1368389432 /nfs/dbraw/zinc/38/94/32/1368389432.db2.gz JJFDYFBBLVBEAW-UHFFFAOYSA-N -1 0 325.393 3.354 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2c[nH]c3ccccc23)cc1Cl ZINC001195310555 1368418600 /nfs/dbraw/zinc/41/86/00/1368418600.db2.gz FYUYJEFZOCSPIC-UHFFFAOYSA-N -1 0 331.784 3.494 20 30 EGEDRM Cc1sc([N-]S(=O)(=O)c2ccc(Cl)cn2)c(C#N)c1C ZINC001196203130 1368567059 /nfs/dbraw/zinc/56/70/59/1368567059.db2.gz CKKWHAJLCYLTTP-UHFFFAOYSA-N -1 0 327.818 3.086 20 30 EGEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cncc(Cl)c1 ZINC001196648622 1368655272 /nfs/dbraw/zinc/65/52/72/1368655272.db2.gz ZYSUQWVIAQBHGI-UHFFFAOYSA-N -1 0 328.180 3.061 20 30 EGEDRM CC(C)Cc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)on1 ZINC001196643795 1368655594 /nfs/dbraw/zinc/65/55/94/1368655594.db2.gz WKGZGSQSLMHGET-UHFFFAOYSA-N -1 0 339.804 3.199 20 30 EGEDRM Cc1cccc(C#N)c1[N-]S(=O)(=O)c1cc(Cl)ccc1C#N ZINC001196680608 1368660804 /nfs/dbraw/zinc/66/08/04/1368660804.db2.gz UNJFWYWIICAVLD-UHFFFAOYSA-N -1 0 331.784 3.193 20 30 EGEDRM COc1ccc(F)cc1[N-]S(=O)(=O)c1cc(Cl)ccc1C#N ZINC001196680589 1368661234 /nfs/dbraw/zinc/66/12/34/1368661234.db2.gz SLWQEVAMJOHYHS-UHFFFAOYSA-N -1 0 340.763 3.160 20 30 EGEDRM COc1nc(C(F)(F)F)c(C(=O)[N-]c2occ(C)c2C#N)s1 ZINC001196835586 1368694774 /nfs/dbraw/zinc/69/47/74/1368694774.db2.gz UVXOHCPGVVCGQF-UHFFFAOYSA-N -1 0 331.275 3.196 20 30 EGEDRM N#Cc1ccc(F)c(F)c1NC(=S)Nc1ccc(C(=O)[O-])cc1 ZINC001197119955 1368748448 /nfs/dbraw/zinc/74/84/48/1368748448.db2.gz YBIRNBFMJRJPPC-UHFFFAOYSA-N -1 0 333.319 3.344 20 30 EGEDRM CCCCCCCC(=O)c1ccc([O-])c(C(=O)N(C)C2COC2)c1 ZINC001197365000 1368799739 /nfs/dbraw/zinc/79/97/39/1368799739.db2.gz HEUSZFMMRCYETE-UHFFFAOYSA-N -1 0 333.428 3.406 20 30 EGEDRM N#Cc1cc(F)cc(F)c1[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC001197609043 1368853846 /nfs/dbraw/zinc/85/38/46/1368853846.db2.gz RIOAOPNSNWYWPN-UHFFFAOYSA-N -1 0 344.289 3.057 20 30 EGEDRM N#Cc1cc(-c2ccccc2)oc1[N-]S(=O)(=O)Cc1ccccn1 ZINC001197782180 1368894931 /nfs/dbraw/zinc/89/49/31/1368894931.db2.gz FXPWGFRTLWWFLV-UHFFFAOYSA-N -1 0 339.376 3.155 20 30 EGEDRM N#Cc1cc(NC(=O)c2ccc(N3CCCCC3)cn2)c([O-])cc1F ZINC001197948177 1368930068 /nfs/dbraw/zinc/93/00/68/1368930068.db2.gz XCGXLRYTWUENLB-UHFFFAOYSA-N -1 0 340.358 3.041 20 30 EGEDRM N#Cc1cccc(Cl)c1[N-]S(=O)(=O)c1cccc(Cl)n1 ZINC001198235211 1368986078 /nfs/dbraw/zinc/98/60/78/1368986078.db2.gz VKUIDAWCKBJYIQ-UHFFFAOYSA-N -1 0 328.180 3.061 20 30 EGEDRM N#Cc1ncc(Br)cc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199802509 1369274551 /nfs/dbraw/zinc/27/45/51/1369274551.db2.gz SWABKVSVNRTRPO-UHFFFAOYSA-N -1 0 335.117 3.073 20 30 EGEDRM N#Cc1cnn(-c2ccc(F)cc2)c1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199815150 1369276272 /nfs/dbraw/zinc/27/62/72/1369276272.db2.gz VKOBPFJVQJUXLD-UHFFFAOYSA-N -1 0 339.286 3.240 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2cnc3cc(F)ccc3c2)cc1C#N ZINC001201294861 1369512942 /nfs/dbraw/zinc/51/29/42/1369512942.db2.gz FLKGSXCDGSYHGE-UHFFFAOYSA-N -1 0 341.367 3.355 20 30 EGEDRM Cc1nc(Cl)sc1S(=O)(=O)[N-]c1cc(C#N)c(C)cc1C ZINC001201764203 1369619425 /nfs/dbraw/zinc/61/94/25/1369619425.db2.gz GWKAOOHWGHVTDI-UHFFFAOYSA-N -1 0 341.845 3.394 20 30 EGEDRM Cc1c(=O)[n-]n(-c2ccccc2)c1NC(=O)Nc1cccc(C#N)c1 ZINC001202798675 1369897218 /nfs/dbraw/zinc/89/72/18/1369897218.db2.gz KWVIEKJFHFHZCG-UHFFFAOYSA-N -1 0 333.351 3.402 20 30 EGEDRM N#Cc1cnn(-c2ccc(F)cc2)c1Nc1ccc(C(=O)[O-])cc1F ZINC001203286264 1370062967 /nfs/dbraw/zinc/06/29/67/1370062967.db2.gz MOSHPRBZPZKLKA-UHFFFAOYSA-N -1 0 340.289 3.464 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)c2cc3c(s2)CCCC3)cc1C#N ZINC001187210087 1388072090 /nfs/dbraw/zinc/07/20/90/1388072090.db2.gz QXIWDBLWUUZTKH-UHFFFAOYSA-N -1 0 343.433 3.171 20 30 EGEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc2c(s1)CCCC2 ZINC001187215501 1388073741 /nfs/dbraw/zinc/07/37/41/1388073741.db2.gz PXAAAOUABNXYJZ-UHFFFAOYSA-N -1 0 348.449 3.308 20 30 EGEDRM CC(=O)c1ccc(-c2noc(CCC(=O)C3=CC=C[CH]3)n2)c(F)c1 ZINC001204656588 1370537854 /nfs/dbraw/zinc/53/78/54/1370537854.db2.gz POUSVPDGYHYGMO-UHFFFAOYSA-N -1 0 325.319 3.280 20 30 EGEDRM COc1c(F)c(F)ccc1-c1noc(CCC(=O)C2=CC=C[CH]2)n1 ZINC001204656009 1370537905 /nfs/dbraw/zinc/53/79/05/1370537905.db2.gz FDIKIJMNYBTOJJ-UHFFFAOYSA-N -1 0 331.298 3.226 20 30 EGEDRM O=C(CCc1nc(-c2cnccc2C(F)(F)F)no1)C1=CC=C[CH]1 ZINC001204656658 1370537985 /nfs/dbraw/zinc/53/79/85/1370537985.db2.gz PVLOGLOBACGNLR-UHFFFAOYSA-N -1 0 334.277 3.353 20 30 EGEDRM CCOC(=O)c1n[nH]cc1C=CC(=O)c1ccc2ccccc2c1[O-] ZINC001116309368 1370883031 /nfs/dbraw/zinc/88/30/31/1370883031.db2.gz ZJXBIVDISHSPLJ-NTMALXAHSA-N -1 0 336.347 3.341 20 30 EGEDRM C=CC[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC001116922561 1371001216 /nfs/dbraw/zinc/00/12/16/1371001216.db2.gz UXKIGNJYNKPGAA-MDZLAQPJSA-N -1 0 328.195 3.242 20 30 EGEDRM CC(C)(C)C(=O)Nc1ccc(C#N)nc1-c1csc(C(=O)[O-])c1 ZINC001206256530 1371005949 /nfs/dbraw/zinc/00/59/49/1371005949.db2.gz CMQKGGJWGRUPEV-UHFFFAOYSA-N -1 0 329.381 3.365 20 30 EGEDRM C=C[C@H](C)O[N-]C(=O)[C@H](NC(=O)OC(C)(C)C)C1CCCCC1 ZINC001118270933 1371155214 /nfs/dbraw/zinc/15/52/14/1371155214.db2.gz GHBLCVFMRRUCOU-GXTWGEPZSA-N -1 0 326.437 3.082 20 30 EGEDRM C=C[C@@H](C)O[N-]C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1 ZINC001118270935 1371155277 /nfs/dbraw/zinc/15/52/77/1371155277.db2.gz GHBLCVFMRRUCOU-OCCSQVGLSA-N -1 0 326.437 3.082 20 30 EGEDRM C=CC[C@@H](NC(=O)/C=C\c1ccc2cc(OC)ccc2c1)C(=O)[O-] ZINC001119636115 1371380462 /nfs/dbraw/zinc/38/04/62/1371380462.db2.gz ZDAYWLNXQQDYFB-XBMZPMPPSA-N -1 0 325.364 3.007 20 30 EGEDRM COc1c(C([O-])=C(C#N)c2nc(C)cs2)cnn1-c1ccccc1 ZINC001122090569 1372173138 /nfs/dbraw/zinc/17/31/38/1372173138.db2.gz MKSNPKOPOHMERI-ZDUSSCGKSA-N -1 0 338.392 3.136 20 30 EGEDRM CCOC(=O)c1c(C)oc(Nc2cc(F)cc(C(=O)[O-])c2)c1C#N ZINC001209887196 1372222904 /nfs/dbraw/zinc/22/29/04/1372222904.db2.gz XFSCFRMQVIUZFI-UHFFFAOYSA-N -1 0 332.287 3.217 20 30 EGEDRM C[Si](C)(C)C#Cc1cccc([N-]S(=O)(=O)c2nccs2)c1 ZINC001187899641 1388186534 /nfs/dbraw/zinc/18/65/34/1388186534.db2.gz RGYQMCWROGJQAA-UHFFFAOYSA-N -1 0 336.514 3.173 20 30 EGEDRM N#Cc1c(Cl)ccc([N-]S(=O)(=O)c2nccs2)c1Cl ZINC001187899062 1388186984 /nfs/dbraw/zinc/18/69/84/1388186984.db2.gz FJHWFKFXYXKVKX-UHFFFAOYSA-N -1 0 334.209 3.122 20 30 EGEDRM CCSc1ccc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)cn1 ZINC001122493142 1372260002 /nfs/dbraw/zinc/26/00/02/1372260002.db2.gz JVUKQCWUBFRJEH-ZDUSSCGKSA-N -1 0 349.419 3.209 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)C(=O)NCc2ccccc2)c(C)n1CC1CC1 ZINC001122499974 1372261684 /nfs/dbraw/zinc/26/16/84/1372261684.db2.gz QXDQSNKCYBSDDG-LJQANCHMSA-N -1 0 349.434 3.154 20 30 EGEDRM N#Cc1c(F)c(Br)ccc1Nc1ccc(C(=O)[O-])nc1 ZINC001210175971 1372288224 /nfs/dbraw/zinc/28/82/24/1372288224.db2.gz BXLZHMZRSUPAHH-UHFFFAOYSA-N -1 0 336.120 3.297 20 30 EGEDRM Cc1cc(C#N)c([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)s1 ZINC001187929868 1388192914 /nfs/dbraw/zinc/19/29/14/1388192914.db2.gz WYZXNEOBWZRSLH-UHFFFAOYSA-N -1 0 348.236 3.431 20 30 EGEDRM CCn1ccnc1[C@H](C#N)C(=O)c1cnn(CC)c1-c1ccccc1 ZINC001123336810 1372431033 /nfs/dbraw/zinc/43/10/33/1372431033.db2.gz LDKPEFHMAINFKF-OAHLLOKOSA-N -1 0 333.395 3.276 20 30 EGEDRM CCC[C@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)C1CCCC1 ZINC001212128964 1372662670 /nfs/dbraw/zinc/66/26/70/1372662670.db2.gz RCFWYNGAYJACHO-HNNXBMFYSA-N -1 0 342.411 3.474 20 30 EGEDRM Cc1oc(Nc2ccc(NC(=O)CCC(=O)[O-])cc2)c(C#N)c1C ZINC001213180796 1372853930 /nfs/dbraw/zinc/85/39/30/1372853930.db2.gz GVLDRXPESXDSJI-UHFFFAOYSA-N -1 0 327.340 3.315 20 30 EGEDRM N#Cc1c([O-])csc1Nc1ccc(OC(F)(F)F)c(CO)c1 ZINC001214826945 1373125527 /nfs/dbraw/zinc/12/55/27/1373125527.db2.gz IGLHDPXHGVLLRO-UHFFFAOYSA-N -1 0 330.287 3.460 20 30 EGEDRM N#Cc1cc(-c2nc(-c3cccc(C(F)(F)F)n3)no2)ccc1[O-] ZINC001216970065 1373373336 /nfs/dbraw/zinc/37/33/36/1373373336.db2.gz ZWAYDAUSZGTKQD-UHFFFAOYSA-N -1 0 332.241 3.395 20 30 EGEDRM Cc1c2cccc(-c3noc(-c4ccc(C#N)cc4[O-])n3)c2nn1C ZINC001217038497 1373381082 /nfs/dbraw/zinc/38/10/82/1373381082.db2.gz AJHVZWPKGDAYNQ-UHFFFAOYSA-N -1 0 331.335 3.176 20 30 EGEDRM CCCCCCCC(=O)c1ccc([O-])c(C(=O)N[C@H](CC)CO)c1 ZINC001221379068 1373771811 /nfs/dbraw/zinc/77/18/11/1373771811.db2.gz BXEGPUFDRQCYHS-OAHLLOKOSA-N -1 0 335.444 3.436 20 30 EGEDRM N#Cc1ccc2c(c1)CCN(C(=O)c1ccc([O-])c(C(F)(F)F)c1)C2 ZINC001188572836 1388333051 /nfs/dbraw/zinc/33/30/51/1388333051.db2.gz WCNJLSCJMGFJBO-UHFFFAOYSA-N -1 0 346.308 3.481 20 30 EGEDRM O=[N+]([O-])c1cccc(F)c1N1CC[C@H](Oc2cccc(/C=N/O)c2)C1 ZINC001226116811 1375206191 /nfs/dbraw/zinc/20/61/91/1375206191.db2.gz UUPQLUJYBQSKBT-FVOVHSBVSA-N -1 0 345.330 3.200 20 30 EGEDRM Cc1nnc(=S)[n-]c1O[C@H](C#C[Si](C)(C)C)c1ccccc1 ZINC001227599201 1375450480 /nfs/dbraw/zinc/45/04/80/1375450480.db2.gz UIAKNXUHGHNHSG-CQSZACIVSA-N -1 0 329.501 3.470 20 30 EGEDRM N#Cc1ccc(=O)[n-]c1O[C@H]1CCOc2ccc(Br)cc21 ZINC001228898747 1375708944 /nfs/dbraw/zinc/70/89/44/1375708944.db2.gz LCFZNYKLLIJVFZ-ZDUSSCGKSA-N -1 0 347.168 3.324 20 30 EGEDRM C[C@H](C#C[Si](C)(C)C)Oc1ccc(C[C@@H]2SC(=O)[N-]C2=O)cc1 ZINC001229624318 1375867530 /nfs/dbraw/zinc/86/75/30/1375867530.db2.gz MRGSFPSOJVHYEN-DOMZBBRYSA-N -1 0 347.512 3.229 20 30 EGEDRM COc1cc(/C=N/O)ccc1O[C@H]1CCCN(c2ccc(C)cn2)C1 ZINC001233804392 1376721198 /nfs/dbraw/zinc/72/11/98/1376721198.db2.gz YZIGXYKKSUENCF-GKXUUXLPSA-N -1 0 341.411 3.255 20 30 EGEDRM Cc1cccc(CS(=O)(=O)[N-]c2sc3c(c2C#N)CCC3)c1 ZINC001259743395 1377123614 /nfs/dbraw/zinc/12/36/14/1377123614.db2.gz XLOWZSLIIZFGEK-UHFFFAOYSA-N -1 0 332.450 3.359 20 30 EGEDRM CC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2C#N)c1 ZINC001189232986 1388490252 /nfs/dbraw/zinc/49/02/52/1388490252.db2.gz WLDKRXRIHWYXCD-UHFFFAOYSA-N -1 0 334.784 3.215 20 30 EGEDRM CC(C)(Cc1ccc(Cl)cc1)C(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC001143815081 1378649469 /nfs/dbraw/zinc/64/94/69/1378649469.db2.gz MFEUUCZKNQKVIY-UHFFFAOYSA-N -1 0 327.775 3.014 20 30 EGEDRM N#Cc1c(F)ccc(NC(=O)c2ccc3cccnc3c2[O-])c1F ZINC001149322435 1379364719 /nfs/dbraw/zinc/36/47/19/1379364719.db2.gz MXTYAPQYCDITMI-UHFFFAOYSA-N -1 0 325.274 3.343 20 30 EGEDRM C[C@@H](NC(=O)c1cc(=O)n(C)[n-]1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC001154054264 1380192327 /nfs/dbraw/zinc/19/23/27/1380192327.db2.gz RWBDSYZPZATOIX-CYBMUJFWSA-N -1 0 346.390 3.155 20 30 EGEDRM N#Cc1ccccc1Oc1nc(Cl)ncc1NCc1cc(=O)[n-]o1 ZINC001158564661 1381301493 /nfs/dbraw/zinc/30/14/93/1381301493.db2.gz OEXKHLWSMDRBTE-UHFFFAOYSA-N -1 0 343.730 3.100 20 30 EGEDRM CC(C)[C@H](C(=O)Nc1nc(C#N)c(C#N)[n-]1)c1cccc(Cl)c1 ZINC001300045198 1383640804 /nfs/dbraw/zinc/64/08/04/1383640804.db2.gz XBASGWAGRRWTJW-AWEZNQCLSA-N -1 0 327.775 3.185 20 30 EGEDRM COC(=O)c1cc(C#N)cc(C)c1Nc1cccc(/C=C/C(=O)[O-])c1 ZINC001174499137 1385113973 /nfs/dbraw/zinc/11/39/73/1385113973.db2.gz MLZOKDYIYMRJNE-VOTSOKGWSA-N -1 0 336.347 3.495 20 30 EGEDRM N#Cc1cnc(Nc2ccc(CC(=O)[O-])cc2)c(Br)c1 ZINC001174950449 1385173925 /nfs/dbraw/zinc/17/39/25/1385173925.db2.gz XMNQFSCGUDTFRY-UHFFFAOYSA-N -1 0 332.157 3.086 20 30 EGEDRM N#Cc1cc(Br)c(F)cc1Nc1cncc(C(=O)[O-])c1 ZINC001175847079 1385420658 /nfs/dbraw/zinc/42/06/58/1385420658.db2.gz YJXIEAYHKIVGNQ-UHFFFAOYSA-N -1 0 336.120 3.297 20 30 EGEDRM N#Cc1cc(Nc2ccc(Cl)cc2S(=O)(=O)[O-])ccc1F ZINC001176618094 1385642173 /nfs/dbraw/zinc/64/21/73/1385642173.db2.gz SQSWPQCALPKJJT-UHFFFAOYSA-N -1 0 326.736 3.341 20 30 EGEDRM CC(C)(C)c1noc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1C#N ZINC001176672294 1385653453 /nfs/dbraw/zinc/65/34/53/1385653453.db2.gz IXNXGXOTPSUVLC-UHFFFAOYSA-N -1 0 330.300 3.194 20 30 EGEDRM C[C@H]1C[C@H](CC(=O)[N-]S(=O)(=O)c2ccccc2C#N)CC(C)(C)C1 ZINC001321475283 1386912786 /nfs/dbraw/zinc/91/27/86/1386912786.db2.gz VCGPWWRQPMJXOE-UONOGXRCSA-N -1 0 348.468 3.216 20 30 EGEDRM N#Cc1cc(NC(=O)COc2nc3ccccc3s2)c([O-])cc1F ZINC001182699137 1387209264 /nfs/dbraw/zinc/20/92/64/1387209264.db2.gz FGSRRGUWFJPLRO-UHFFFAOYSA-N -1 0 343.339 3.030 20 30 EGEDRM C=CCn1c(-c2c[n-]n(CC)c2=O)nnc1N1CCC[C@H](CCC)C1 ZINC001338694323 1389735050 /nfs/dbraw/zinc/73/50/50/1389735050.db2.gz VMAFTLYPECVRKI-AWEZNQCLSA-N -1 0 344.463 3.070 20 30 EGEDRM Cc1c([N-]S(=O)(=O)c2ccc(CC#N)cc2)cnn1C1CCCC1 ZINC001339127570 1389912112 /nfs/dbraw/zinc/91/21/12/1389912112.db2.gz LMUKSBAZKBVKCF-UHFFFAOYSA-N -1 0 344.440 3.174 20 30 EGEDRM CC(C)=CCC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1ccccc1C#N ZINC001332324032 1390086903 /nfs/dbraw/zinc/08/69/03/1390086903.db2.gz HHSWBUVPLCSDKF-CQSZACIVSA-N -1 0 334.441 3.136 20 30 EGEDRM N#CCC[C@@H](NC(=O)N1CCCC[C@H]1CCC(=O)[O-])c1ccccc1 ZINC001339854485 1390176237 /nfs/dbraw/zinc/17/62/37/1390176237.db2.gz GNULRHKADPFOKC-DLBZAZTESA-N -1 0 343.427 3.460 20 30 EGEDRM C=CCC(C)(C)C(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccc(F)cc2F)C1 ZINC001334198427 1390496851 /nfs/dbraw/zinc/49/68/51/1390496851.db2.gz IHACLVWWIATTDR-KGLIPLIRSA-N -1 0 337.366 3.194 20 30 EGEDRM CCSc1cc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)ccn1 ZINC001341915193 1390548966 /nfs/dbraw/zinc/54/89/66/1390548966.db2.gz PTSNJWXUAJICDR-CYBMUJFWSA-N -1 0 349.419 3.209 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(F)c2cccnc12 ZINC001342021811 1390562799 /nfs/dbraw/zinc/56/27/99/1390562799.db2.gz QMXFFQIWHCVFAY-AWEZNQCLSA-N -1 0 327.359 3.003 20 30 EGEDRM CCn1ncc(C([O-])=C(C#N)c2cnc3ccccc3n2)c1C1CC1 ZINC001343477886 1390716464 /nfs/dbraw/zinc/71/64/64/1390716464.db2.gz HIJJSNZMMJWUHL-ZDUSSCGKSA-N -1 0 331.379 3.214 20 30 EGEDRM C=CC[C@H](NC(=O)N[C@@H](C)c1nc(-c2ccccc2)cs1)C(=O)[O-] ZINC001344466051 1390793016 /nfs/dbraw/zinc/79/30/16/1390793016.db2.gz XHQVQMKUVYRVCU-AAEUAGOBSA-N -1 0 345.424 3.200 20 30 EGEDRM C=CC[C@H](NC(=O)N[C@H](C)c1nc(-c2ccccc2)cs1)C(=O)[O-] ZINC001344466054 1390793020 /nfs/dbraw/zinc/79/30/20/1390793020.db2.gz XHQVQMKUVYRVCU-YPMHNXCESA-N -1 0 345.424 3.200 20 30 EGEDRM C=CC[C@H](NC(=O)Nc1ccc(OCC(F)(F)F)c(C)c1)C(=O)[O-] ZINC001344466327 1390793148 /nfs/dbraw/zinc/79/31/48/1390793148.db2.gz ZGYRZPYBYCWLCY-NSHDSACASA-N -1 0 346.305 3.087 20 30 EGEDRM CC(C)c1nc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)cs1 ZINC001346014320 1390900918 /nfs/dbraw/zinc/90/09/18/1390900918.db2.gz PWLAUTDGJYTUEV-LLVKDONJSA-N -1 0 337.408 3.282 20 30 EGEDRM CCn1ccnc1[C@H](C#N)C(=O)c1nn(-c2ccccc2)c2c1CCC2 ZINC001349701611 1391355074 /nfs/dbraw/zinc/35/50/74/1391355074.db2.gz HIFRNNIWUJBHPA-MRXNPFEDSA-N -1 0 345.406 3.067 20 30 EGEDRM CCOc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000821417090 1428401539 /nfs/dbraw/zinc/40/15/39/1428401539.db2.gz ISBTXUOGEBWZOU-JXMROGBWSA-N -1 0 338.342 3.301 20 30 EGEDRM COc1ccc2c(c1)C(=O)C(=Cc1cc(-c3nn[n-]n3)cs1)CC2 ZINC000821849475 1428845142 /nfs/dbraw/zinc/84/51/42/1428845142.db2.gz JQRUBBCSKICFKZ-WDZFZDKYSA-N -1 0 338.392 3.149 20 30 EGEDRM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1ccc(F)cc1F ZINC000823503891 1429028256 /nfs/dbraw/zinc/02/82/56/1429028256.db2.gz KBJMDRVESDBJJW-XYOKQWHBSA-N -1 0 338.317 3.357 20 30 EGEDRM C[C@H]1c2c(c(O)ccc2F)C(=O)C1=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736228700 1429055492 /nfs/dbraw/zinc/05/54/92/1429055492.db2.gz JCOSUXJEIGUISZ-YXYQAXARSA-N -1 0 336.326 3.095 20 30 EGEDRM O=C1c2cccc(Cl)c2OC1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826475875 1429625165 /nfs/dbraw/zinc/62/51/65/1429625165.db2.gz UNRVZWFNMNPUCO-NTUHNPAUSA-N -1 0 342.717 3.275 20 30 EGEDRM C=CCN(Cc1ccccc1)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000823919575 1423243084 /nfs/dbraw/zinc/24/30/84/1423243084.db2.gz KLCHIMFQOJPPBA-UHFFFAOYSA-N -1 0 326.791 3.108 20 30 EGEDRM C=C[C@H](CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1ccccc1 ZINC000823882622 1423658559 /nfs/dbraw/zinc/65/85/59/1423658559.db2.gz AOVMOIIEGGXILS-CYBMUJFWSA-N -1 0 344.378 3.037 20 30 EGEDRM C(=NNc1ccc(-c2nnn[n-]2)cc1)c1cnc(-c2ccccc2)s1 ZINC000735399332 1424810340 /nfs/dbraw/zinc/81/03/40/1424810340.db2.gz KOQYUBQABMJQPX-UHFFFAOYSA-N -1 0 347.407 3.436 20 30 EGEDRM Cc1ccc2c(c1)C(N=Nc1oc(C(C)C)nc1-c1nn[n-]n1)CC2 ZINC000737372291 1424990859 /nfs/dbraw/zinc/99/08/59/1424990859.db2.gz WTOGDVSDAIXHGG-UHFFFAOYSA-N -1 0 337.387 3.049 20 30 EGEDRM Cc1cc2ccccc2nc1NN=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826273278 1425752198 /nfs/dbraw/zinc/75/21/98/1425752198.db2.gz WTNMOZQDWDQJAK-UHFFFAOYSA-N -1 0 329.367 3.169 20 30 EGEDRM Cc1cc(F)ccc1C(=O)C=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826267894 1425907493 /nfs/dbraw/zinc/90/74/93/1425907493.db2.gz AVNJEEWVUSRWJN-XVNBXDOJSA-N -1 0 326.306 3.349 20 30 EGEDRM Cc1ccc(-c2nn[n-]n2)cc1NCc1cccc(OCCCC#N)c1 ZINC000826278527 1426174468 /nfs/dbraw/zinc/17/44/68/1426174468.db2.gz HMKMOQPLXHFILE-UHFFFAOYSA-N -1 0 348.410 3.470 20 30 EGEDRM C#CCCCOC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000823841972 1426311753 /nfs/dbraw/zinc/31/17/53/1426311753.db2.gz WPKOYGCBPFZLCV-UHFFFAOYSA-N -1 0 348.362 3.229 20 30 EGEDRM N#C[C@@H](c1ccccc1)[C@H]1CCCN1c1cccc(F)c1-c1nn[n-]n1 ZINC000822801458 1427428181 /nfs/dbraw/zinc/42/81/81/1427428181.db2.gz JQWJZYBMIPZOGI-GOEBONIOSA-N -1 0 348.385 3.282 20 30 EGEDRM FC(F)(F)Oc1cccc(C=NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737625569 1427678111 /nfs/dbraw/zinc/67/81/11/1427678111.db2.gz CBTXHDJICIOVEQ-UHFFFAOYSA-N -1 0 348.288 3.211 20 30 EGEDRM Cc1ccc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)cc1C ZINC000737307881 1430170593 /nfs/dbraw/zinc/17/05/93/1430170593.db2.gz JAOPPHUGOLNGSS-VOTSOKGWSA-N -1 0 344.378 3.027 20 30 EGEDRM C#CCCCCCC(=O)Oc1c(Cl)cc(-c2nn[n-]n2)cc1OC ZINC000823841176 1441554380 /nfs/dbraw/zinc/55/43/80/1441554380.db2.gz JUZFRRSNEIMRHO-UHFFFAOYSA-N -1 0 348.790 3.018 20 30 EGEDRM O=C1c2ccc(F)cc2CCC1=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000823503491 1441782179 /nfs/dbraw/zinc/78/21/79/1441782179.db2.gz FQOCCAROYRVECG-KPKJPENVSA-N -1 0 338.317 3.357 20 30 EGEDRM Cc1ccc2c(c1C)C(=O)C(=Cc1ccc(-c3nn[n-]n3)cc1)CO2 ZINC000737379530 1442015099 /nfs/dbraw/zinc/01/50/99/1442015099.db2.gz YYXBBEONJYDZHA-DHDCSXOGSA-N -1 0 332.363 3.142 20 30 EGEDRM C=CCCC(N=Nc1oc(CC(C)C)nc1-c1nn[n-]n1)C1CC1 ZINC000823888454 1442124604 /nfs/dbraw/zinc/12/46/04/1442124604.db2.gz MUFLPSYZNCKUIY-UHFFFAOYSA-N -1 0 329.408 3.197 20 30 EGEDRM O=C1c2cc(Cl)ccc2OCC1=Cc1cccc(-c2nn[n-]n2)c1 ZINC000826475455 1443588374 /nfs/dbraw/zinc/58/83/74/1443588374.db2.gz GOWMMBSECDRKJH-GHXNOFRVSA-N -1 0 338.754 3.179 20 30 EGEDRM C=CCCC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735409303 1443654998 /nfs/dbraw/zinc/65/49/98/1443654998.db2.gz YROYAMFFPQCEHI-UHFFFAOYSA-N -1 0 349.394 3.350 20 30 EGEDRM COc1ccc([C@H](C)C(C)N=Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821778063 1443976421 /nfs/dbraw/zinc/97/64/21/1443976421.db2.gz SRHOPOSORQZQAP-GFCCVEGCSA-N -1 0 336.399 3.467 20 30 EGEDRM CCc1ccc(C(=O)C=Cc2ccc(OC)c(-c3nn[n-]n3)c2)s1 ZINC000736676823 1446179871 /nfs/dbraw/zinc/17/98/71/1446179871.db2.gz FMKPRONHDPONFB-DAXSKMNVSA-N -1 0 340.408 3.395 20 30 EGEDRM CC(=NNc1cc(-c2nn[n-]n2)cc(Cl)n1)c1cc(F)ccc1F ZINC000823953507 1446520805 /nfs/dbraw/zinc/52/08/05/1446520805.db2.gz CWQQNWZEPADWKZ-UHFFFAOYSA-N -1 0 349.732 3.029 20 30 EGEDRM COc1ccc(C=NNc2cccc(Cl)c2F)cc1-c1nn[n-]n1 ZINC000737084150 1446582976 /nfs/dbraw/zinc/58/29/76/1446582976.db2.gz XYSHDMNPLOTLEQ-UHFFFAOYSA-N -1 0 346.753 3.114 20 30 EGEDRM COc1ccc(CNc2c(Cl)cccc2C#N)cc1-c1nn[n-]n1 ZINC000826203281 1446782954 /nfs/dbraw/zinc/78/29/54/1446782954.db2.gz HNCGNGFXFJUAQM-UHFFFAOYSA-N -1 0 340.774 3.012 20 30 EGEDRM O=C(C=Cc1nc2c(s1)CCCC2)c1ccc(-c2nn[n-]n2)cc1 ZINC000826403476 1447122352 /nfs/dbraw/zinc/12/23/52/1447122352.db2.gz TXBHBYCZSBHYTR-KTKRTIGZSA-N -1 0 337.408 3.098 20 30 EGEDRM C=C1CCC(C(=O)N[C@@H](C(=O)[O-])c2ccc(OC)c(Cl)c2)CC1 ZINC000909795727 939734259 /nfs/dbraw/zinc/73/42/59/939734259.db2.gz KWAPVAMMJPQVDO-OAHLLOKOSA-N -1 0 337.803 3.337 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)c1cc(CC)c(-c2ccccc2)s1 ZINC001602691715 971297673 /nfs/dbraw/zinc/29/76/73/971297673.db2.gz VEDPDMZFMLPXGE-UHFFFAOYSA-N -1 0 327.405 3.138 20 30 EGEDRM CCCC[C@@H](ON=C(C)C)C(=O)N[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001589639743 949670659 /nfs/dbraw/zinc/67/06/59/949670659.db2.gz KFGZVHCEEVHAFA-CRAIPNDOSA-N -1 0 334.416 3.074 20 30 EGEDRM N#Cc1ccc(N[C@H]2CC[C@@H](C(=O)[O-])C2)c(F)c1Br ZINC000230921494 949743807 /nfs/dbraw/zinc/74/38/07/949743807.db2.gz NAQXKDMJBIGBQG-APPZFPTMSA-N -1 0 327.153 3.125 20 30 EGEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000263480371 950486636 /nfs/dbraw/zinc/48/66/36/950486636.db2.gz KQKNMHLDCYQUIE-RYUDHWBXSA-N -1 0 335.429 3.123 20 30 EGEDRM C=C(C)CCNC(=O)Nc1cc(C(=O)[O-])ccc1Br ZINC000387399462 951316973 /nfs/dbraw/zinc/31/69/73/951316973.db2.gz LCXUBQIDNLNELW-UHFFFAOYSA-N -1 0 327.178 3.235 20 30 EGEDRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2c(Cl)cc(C#N)cc2Cl)C1 ZINC001589271743 953414055 /nfs/dbraw/zinc/41/40/55/953414055.db2.gz GLQPHMYTZIUVKT-PSASIEDQSA-N -1 0 341.194 3.048 20 30 EGEDRM CCn1c2ccc(C#N)cc2nc1NC(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC001593663716 953817113 /nfs/dbraw/zinc/81/71/13/953817113.db2.gz YJJHLKNJUJDFRR-UHFFFAOYSA-N -1 0 348.362 3.187 20 30 EGEDRM C[C@H]1c2c(C#N)c(NC(=O)[C@H]3CC[C@H]3C(=O)[O-])sc2CC[C@@H]1C ZINC001589365790 954190650 /nfs/dbraw/zinc/19/06/50/954190650.db2.gz WBIHRCPLTFKRRG-ZRUFSTJUSA-N -1 0 332.425 3.355 20 30 EGEDRM C#CC[C@H](NC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1ccccc1 ZINC000848581013 955752794 /nfs/dbraw/zinc/75/27/94/955752794.db2.gz JEWODZZMHUYKJW-XBVQOTNRSA-N -1 0 342.439 3.186 20 30 EGEDRM N#Cc1c(NC(=O)[C@@H](C(=O)[O-])C2CCCC2)sc2c1CCCC2 ZINC001594613691 956226074 /nfs/dbraw/zinc/22/60/74/956226074.db2.gz AMVAPJYMCUIVLT-AWEZNQCLSA-N -1 0 332.425 3.328 20 30 EGEDRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2ccc(C3CC3)c(C#N)c2)C1 ZINC000887393179 956258061 /nfs/dbraw/zinc/25/80/61/956258061.db2.gz RZDWLGMWOKQHAA-FZMZJTMJSA-N -1 0 327.384 3.010 20 30 EGEDRM N#Cc1ccc(C2CCN(C(=O)[C@@]3(C(=O)[O-])CC=CCC3)CC2)cc1 ZINC001594618696 956267334 /nfs/dbraw/zinc/26/73/34/956267334.db2.gz WOKWZCABKRGYOA-HXUWFJFHSA-N -1 0 338.407 3.075 20 30 EGEDRM N#Cc1ccc(Oc2ccc(NC(=O)[C@H]3CC[C@H]3C(=O)[O-])cc2)cc1 ZINC001594625207 956307740 /nfs/dbraw/zinc/30/77/40/956307740.db2.gz JRMPVVXBBBHCAO-DLBZAZTESA-N -1 0 336.347 3.400 20 30 EGEDRM N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)Nc1ccccc1C(=O)[O-] ZINC001594627792 956324887 /nfs/dbraw/zinc/32/48/87/956324887.db2.gz VVABXGJZGSQZJM-INIZCTEOSA-N -1 0 335.363 3.456 20 30 EGEDRM C=CCCC[C@H](C(=O)Nc1cnn(CC(=O)[O-])c1)c1ccccc1 ZINC000901694265 956419670 /nfs/dbraw/zinc/41/96/70/956419670.db2.gz QPZGNQVUCNGDCB-INIZCTEOSA-N -1 0 327.384 3.046 20 30 EGEDRM COc1ccc(C)cc1/C=C/C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000013216434 956981415 /nfs/dbraw/zinc/98/14/15/956981415.db2.gz ACJOONBVRJIGCY-RMKNXTFCSA-N -1 0 326.348 3.363 20 30 EGEDRM Cc1ccc(/C=C/C(=O)c2ccc(OCC(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000013344258 957029770 /nfs/dbraw/zinc/02/97/70/957029770.db2.gz NIBSUTLGHHAOBV-RUDMXATFSA-N -1 0 341.319 3.263 20 30 EGEDRM C[C@H](NC(=O)N1CCCC[C@@H]1CCC(=O)[O-])c1ccc(C#N)cc1 ZINC001341244069 957957378 /nfs/dbraw/zinc/95/73/78/957957378.db2.gz LBZCVLLMJGRTDS-XJKSGUPXSA-N -1 0 329.400 3.048 20 30 EGEDRM C#C[C@H](CCC)NC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC001588386940 957983184 /nfs/dbraw/zinc/98/31/84/957983184.db2.gz DXMGDNMLBOLAHT-OAHLLOKOSA-N -1 0 328.412 3.076 20 30 EGEDRM C=CCC[C@@H]1CCCN1C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001341380079 957989392 /nfs/dbraw/zinc/98/93/92/957989392.db2.gz FLTYJABQIGTSTC-VQIMIIECSA-N -1 0 330.428 3.169 20 30 EGEDRM Cc1cc(NC(=O)N[C@H]2CCc3cc(C#N)ccc32)ccc1C(=O)[O-] ZINC001594320122 958120500 /nfs/dbraw/zinc/12/05/00/958120500.db2.gz OOHHOIQZAGAQBC-KRWDZBQOSA-N -1 0 335.363 3.374 20 30 EGEDRM C#CCO[C@@H](C)C(=O)Nc1scc(-c2ccsc2)c1C(=O)[O-] ZINC001588431684 958274309 /nfs/dbraw/zinc/27/43/09/958274309.db2.gz VFJFHXWPXAOEHS-VIFPVBQESA-N -1 0 335.406 3.152 20 30 EGEDRM C=C(C)[C@H](CC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl)OCC ZINC001588441497 958336612 /nfs/dbraw/zinc/33/66/12/958336612.db2.gz JBGDUPLNHVNCOE-NSHDSACASA-N -1 0 329.755 3.487 20 30 EGEDRM Cc1ccc(CCC2CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC2)cc1 ZINC001594355586 958412196 /nfs/dbraw/zinc/41/21/96/958412196.db2.gz LHOSVMRQAQLZJS-FQEVSTJZSA-N -1 0 342.439 3.171 20 30 EGEDRM C=CC[C@H](Cc1ccccc1)NC(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001588453135 958431518 /nfs/dbraw/zinc/43/15/18/958431518.db2.gz PFZUQQVXESHKNR-KUGGDMIFSA-N -1 0 325.364 3.295 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)Nc1ccc(C)c(-c2ccsc2)c1 ZINC001573317744 958454052 /nfs/dbraw/zinc/45/40/52/958454052.db2.gz NEDNIECEOOCINM-UHFFFAOYSA-N -1 0 328.393 3.275 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)[C@H](C)Sc1cc(Cl)ccc1Cl ZINC001573317858 958456324 /nfs/dbraw/zinc/45/63/24/958456324.db2.gz HAUDVAHZSZEKCJ-VIFPVBQESA-N -1 0 346.235 3.020 20 30 EGEDRM C=CCn1c(COc2ccccc2)nnc1SCCCC(=O)[O-] ZINC001588472325 958542093 /nfs/dbraw/zinc/54/20/93/958542093.db2.gz MFTCIAUZYAPOTD-UHFFFAOYSA-N -1 0 333.413 3.000 20 30 EGEDRM O=C([O-])c1cc(NC(=O)C#Cc2ccccc2)ccc1Br ZINC000132308044 958780861 /nfs/dbraw/zinc/78/08/61/958780861.db2.gz HEGFPVFENZHSFH-UHFFFAOYSA-N -1 0 344.164 3.138 20 30 EGEDRM CC(C)(C(=O)Nc1ccccc1CC(=O)[O-])c1cc(F)cc(C#N)c1 ZINC001588611027 959507300 /nfs/dbraw/zinc/50/73/00/959507300.db2.gz IWAGTRUZKAXTDH-UHFFFAOYSA-N -1 0 340.354 3.241 20 30 EGEDRM N#Cc1ccc(N2CCCC[C@@H]2CC(=O)[O-])c(F)c1Br ZINC000231842048 960210400 /nfs/dbraw/zinc/21/04/00/960210400.db2.gz DZAXUQSZWRAPCI-SNVBAGLBSA-N -1 0 341.180 3.293 20 30 EGEDRM C=CCc1cc(C(=O)N(CCC(=O)[O-])CC(C)C)cc(OC)c1OC ZINC000262251834 961592739 /nfs/dbraw/zinc/59/27/39/961592739.db2.gz CVVNQXFRZQBQJH-UHFFFAOYSA-N -1 0 349.427 3.005 20 30 EGEDRM CN(C(=O)c1coc(/C=C/C(=O)[O-])c1)c1cc(Cl)ccc1C#N ZINC001573983114 961779321 /nfs/dbraw/zinc/77/93/21/961779321.db2.gz KXCTUDKOPFECDD-SNAWJCMRSA-N -1 0 330.727 3.179 20 30 EGEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C ZINC001588936189 962503822 /nfs/dbraw/zinc/50/38/22/962503822.db2.gz MOOLDNOOFBDXIG-GXTWGEPZSA-N -1 0 345.399 3.062 20 30 EGEDRM C=C(C)CCC(=O)N[C@](C)(C(=O)[O-])c1cccc(Br)c1 ZINC001517350536 962771989 /nfs/dbraw/zinc/77/19/89/962771989.db2.gz NSDUWQRVJJFDJZ-HNNXBMFYSA-N -1 0 340.217 3.221 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N(C)[C@H](C)c1ccccc1Br ZINC001573325155 962794879 /nfs/dbraw/zinc/79/48/79/962794879.db2.gz FOXUAOIUBGHRCZ-LLVKDONJSA-N -1 0 340.217 3.390 20 30 EGEDRM C=C[C@@H](CC(=O)Nc1[nH]c(C(=O)[O-])cc1C(C)=O)c1ccccc1 ZINC001573347115 962945552 /nfs/dbraw/zinc/94/55/52/962945552.db2.gz JFABOEOVWQOPPM-LBPRGKRZSA-N -1 0 326.352 3.214 20 30 EGEDRM C=C[C@H](CC)CC(=O)N[C@@H](C(=O)[O-])c1ccccc1OC(F)(F)F ZINC001573347292 962947538 /nfs/dbraw/zinc/94/75/38/962947538.db2.gz KJSKIHXSZCUJDP-QMTHXVAHSA-N -1 0 345.317 3.429 20 30 EGEDRM C=CCCC(C)(C)CNC(=O)N1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001573352674 962990309 /nfs/dbraw/zinc/99/03/09/962990309.db2.gz HMRYJUZHPOIVPJ-HXUWFJFHSA-N -1 0 344.455 3.417 20 30 EGEDRM C=CC[C@H]1CCCC[C@@H]1NS(=O)(=O)CC1(C(=O)[O-])CCCCC1 ZINC001573352902 962994475 /nfs/dbraw/zinc/99/44/75/962994475.db2.gz MSEABMQXGAWVBG-GJZGRUSLSA-N -1 0 343.489 3.076 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1cc(C(F)(F)F)ccc1NC)C(=O)[O-] ZINC001573367011 963063158 /nfs/dbraw/zinc/06/31/58/963063158.db2.gz RFJHIAPXYXTMSE-ZDUSSCGKSA-N -1 0 344.333 3.286 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1cc(-c2ccc(F)cc2)on1)C(=O)[O-] ZINC001573367197 963064844 /nfs/dbraw/zinc/06/48/44/963064844.db2.gz SQKSDUQTDPMGDJ-ZDUSSCGKSA-N -1 0 332.331 3.020 20 30 EGEDRM C=C[C@H](Nc1ccc(OC(F)(F)F)c(Br)c1)C(=O)[O-] ZINC000305990452 963172048 /nfs/dbraw/zinc/17/20/48/963172048.db2.gz JELXTSXVDKCMBO-QMMMGPOBSA-N -1 0 340.095 3.399 20 30 EGEDRM C=CCCN(OCc1ccccc1)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000818622412 969187995 /nfs/dbraw/zinc/18/79/95/969187995.db2.gz BGCHSZREXPJBMZ-UHFFFAOYSA-N -1 0 334.416 3.207 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCc2ccc(-c3ccccc3)cc21 ZINC001609693089 970453841 /nfs/dbraw/zinc/45/38/41/970453841.db2.gz ULPRMHJFKCQQLO-RXVVDRJESA-N -1 0 348.402 3.462 20 30 EGEDRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)N(O)Cc1cc(Cl)cc(Cl)c1 ZINC001603322400 972652806 /nfs/dbraw/zinc/65/28/06/972652806.db2.gz NUIORJFFXMYYGQ-AWEZNQCLSA-N -1 0 332.183 3.212 20 30 EGEDRM Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(C)(C)C(=O)[O-] ZINC001605219964 972970021 /nfs/dbraw/zinc/97/00/21/972970021.db2.gz XSAMIIHYVPDCSQ-UHFFFAOYSA-N -1 0 339.351 3.103 20 30 EGEDRM CC[C@@H](CNC(=O)Nc1ccccc1SC[C@@H](C)C#N)C(=O)[O-] ZINC001603565945 973689672 /nfs/dbraw/zinc/68/96/72/973689672.db2.gz QMNZVABKAOUQLH-RYUDHWBXSA-N -1 0 335.429 3.171 20 30 EGEDRM CC(C)c1ccccc1OS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001592003689 976664626 /nfs/dbraw/zinc/66/46/26/976664626.db2.gz FUQLHTFPIVUTRJ-UHFFFAOYSA-N -1 0 345.376 3.148 20 30 EGEDRM C[C@H](CC(=O)[O-])CC(=O)N(CCC#N)C12CC3CC(CC(C3)C1)C2 ZINC001592369605 977877788 /nfs/dbraw/zinc/87/77/88/977877788.db2.gz BATKBRIIFRZVRX-IWUURBKTSA-N -1 0 332.444 3.198 20 30 EGEDRM C[C@@H](CC(=O)[O-])CC(=O)N[C@H](C#N)c1c(Cl)cccc1Cl ZINC001592374787 977903895 /nfs/dbraw/zinc/90/38/95/977903895.db2.gz GODRDPLBVYXSGJ-LDYMZIIASA-N -1 0 329.183 3.175 20 30 EGEDRM C[C@H](CN(Cc1ccccc1)C(=O)c1ccc(F)c(C#N)c1)C(=O)[O-] ZINC001592604818 978547766 /nfs/dbraw/zinc/54/77/66/978547766.db2.gz DLYJFDSUAWDKGJ-CYBMUJFWSA-N -1 0 340.354 3.060 20 30 EGEDRM O=C([O-])c1cccc(NN=C2C(=O)Nc3ccc(C(F)(F)F)cc32)c1 ZINC000754256597 978695893 /nfs/dbraw/zinc/69/58/93/978695893.db2.gz XBTJTSKUFIUUNC-UHFFFAOYSA-N -1 0 349.268 3.172 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1NN=C(C)c1ccccc1[N+](=O)[O-] ZINC000756899127 978700641 /nfs/dbraw/zinc/70/06/41/978700641.db2.gz QZZAMQMMRLZTMU-UHFFFAOYSA-N -1 0 329.312 3.138 20 30 EGEDRM O=C([O-])c1ccc(N=NCc2ccc(F)c(C(F)(F)F)c2)nc1 ZINC000763367677 978720479 /nfs/dbraw/zinc/72/04/79/978720479.db2.gz GCCYEFMYLRWNPK-UHFFFAOYSA-N -1 0 327.237 3.384 20 30 EGEDRM CCOc1cc(CN=Nc2ccc(C(=O)[O-])cn2)cc(Cl)c1OC ZINC000763367402 978720799 /nfs/dbraw/zinc/72/07/99/978720799.db2.gz CTLRRXKWMRAQAP-UHFFFAOYSA-N -1 0 349.774 3.287 20 30 EGEDRM CC(C[C@@H](C)NC(=O)OC(C)(C)C)N=Nc1cccc(C(=O)[O-])c1 ZINC000769566928 978741786 /nfs/dbraw/zinc/74/17/86/978741786.db2.gz MRUILHQYKBUZPD-LLVKDONJSA-N -1 0 335.404 3.476 20 30 EGEDRM O=C([O-])Cn1cc(CN=Nc2cccc(Cl)n2)c2ccccc21 ZINC000793181076 978802268 /nfs/dbraw/zinc/80/22/68/978802268.db2.gz IOZRMSGTYZEWJF-UHFFFAOYSA-N -1 0 328.759 3.220 20 30 EGEDRM C[C@@H](CCc1ccc2c(c1)OCO2)NN=Cc1ccc(C(=O)[O-])cc1 ZINC000802714576 978849823 /nfs/dbraw/zinc/84/98/23/978849823.db2.gz QRZBNTSOZRPQLD-ZDUSSCGKSA-N -1 0 340.379 3.058 20 30 EGEDRM CC(C)(C)OC(=O)NCC1(CN=Nc2ccccc2C(=O)[O-])CCC1 ZINC000814768940 978883333 /nfs/dbraw/zinc/88/33/33/978883333.db2.gz PJPIYKHDNHNGNI-UHFFFAOYSA-N -1 0 347.415 3.478 20 30 EGEDRM C=CCCOCCCCC(=O)N1CC[C@H](C(=O)[O-])c2ccccc21 ZINC000833374797 979173529 /nfs/dbraw/zinc/17/35/29/979173529.db2.gz FAXNDSIXIVHMFO-INIZCTEOSA-N -1 0 331.412 3.355 20 30 EGEDRM CCC(CC)(C(=O)[O-])C(=O)CON=C(c1ccccc1)C(F)(F)F ZINC001595045337 979252395 /nfs/dbraw/zinc/25/23/95/979252395.db2.gz KKSDQTCWWARREB-UHFFFAOYSA-N -1 0 345.317 3.430 20 30 EGEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)OCc1ccc(C(=O)[O-])c(F)c1 ZINC001592834644 979577504 /nfs/dbraw/zinc/57/75/04/979577504.db2.gz UADXLGFOHSVANY-GFCCVEGCSA-N -1 0 341.338 3.318 20 30 EGEDRM CC[C@@](CNc1c(C#N)nnc2ccccc21)(C(=O)[O-])c1ccccc1 ZINC001595172796 979745913 /nfs/dbraw/zinc/74/59/13/979745913.db2.gz PHNPMJXBNUFMSI-FQEVSTJZSA-N -1 0 346.390 3.346 20 30 EGEDRM C=C(C)C[C@H](NC(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000864187754 979835081 /nfs/dbraw/zinc/83/50/81/979835081.db2.gz OCMKMVFIDWTVDU-RYUDHWBXSA-N -1 0 333.281 3.252 20 30 EGEDRM CC[C@@H](c1ccc(Br)cc1)N(CC#N)CCC(=O)[O-] ZINC001595359006 980737655 /nfs/dbraw/zinc/73/76/55/980737655.db2.gz NNNQYHHINMEHAZ-ZDUSSCGKSA-N -1 0 325.206 3.200 20 30 EGEDRM C=C(C)[C@@H](CC(=O)N[C@@](C)(CC(=O)[O-])c1cccc(F)c1)OCC ZINC000909682408 981570112 /nfs/dbraw/zinc/57/01/12/981570112.db2.gz ONQIOPFUUZLWMC-QAPCUYQASA-N -1 0 337.391 3.003 20 30 EGEDRM CCCC[C@H](ON=C(C)C)C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC001595650952 982015623 /nfs/dbraw/zinc/01/56/23/982015623.db2.gz ACKIDMYXLPYQDC-INIZCTEOSA-N -1 0 332.400 3.198 20 30 EGEDRM CCCC[C@@H](ON=C(C)C)C(=O)N[C@@](CC)(C(=O)[O-])c1ccccc1 ZINC001595651783 982025810 /nfs/dbraw/zinc/02/58/10/982025810.db2.gz KIWSBRBTCCKXCM-VQIMIIECSA-N -1 0 348.443 3.464 20 30 EGEDRM CCCC[C@@H](ON=C(C)C)C(=O)Nc1c(C)ccc(C(=O)[O-])c1O ZINC001595652545 982035567 /nfs/dbraw/zinc/03/55/67/982035567.db2.gz VJGMJFBPQGSVBF-CYBMUJFWSA-N -1 0 336.388 3.309 20 30 EGEDRM C=C[C@@](C)(CCOC)C(=O)Nc1nc(C(=O)[O-])c(C(C)C)s1 ZINC000910703216 982072710 /nfs/dbraw/zinc/07/27/10/982072710.db2.gz LNJSVIHIYAGUTF-HNNXBMFYSA-N -1 0 326.418 3.132 20 30 EGEDRM C#CCCCC(=O)N1CCC(c2c[nH]c3ccc(C(=O)[O-])cc32)CC1 ZINC000910956831 982176250 /nfs/dbraw/zinc/17/62/50/982176250.db2.gz GFUCNRCPJYHHLT-UHFFFAOYSA-N -1 0 338.407 3.376 20 30 EGEDRM C#CCC1(C(=O)N2CC[C@@H](c3ncc(C(=O)[O-])s3)C2)CCCCC1 ZINC000911040592 982206627 /nfs/dbraw/zinc/20/66/27/982206627.db2.gz SLSPYBMVODFSLR-CYBMUJFWSA-N -1 0 346.452 3.131 20 30 EGEDRM N#Cc1cc(C(F)(F)F)cc(NC[C@@H](C(=O)[O-])c2ccccc2)n1 ZINC001574790874 983276055 /nfs/dbraw/zinc/27/60/55/983276055.db2.gz GUPFFHNPKHITKJ-CYBMUJFWSA-N -1 0 335.285 3.252 20 30 EGEDRM C#C[C@@H](C)N(C)c1cc(C(=O)[O-])nc2ccc(Br)cc21 ZINC001588368873 983308612 /nfs/dbraw/zinc/30/86/12/983308612.db2.gz VAVVADOGEKDZAQ-SECBINFHSA-N -1 0 333.185 3.153 20 30 EGEDRM C#C[C@@H](C)Oc1ccc(COC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)cc1 ZINC001588369354 983313783 /nfs/dbraw/zinc/31/37/83/983313783.db2.gz JBBKXYSHLWAOLN-FVQBIDKESA-N -1 0 330.380 3.021 20 30 EGEDRM C#C[C@@H](NC(=O)Nc1ccc(C(=O)[O-])cc1C)c1ccc(F)cc1 ZINC001588373769 983339890 /nfs/dbraw/zinc/33/98/90/983339890.db2.gz JOJLFCVEJRQYME-OAHLLOKOSA-N -1 0 326.327 3.328 20 30 EGEDRM C#C[C@@H](NC(=O)c1cccc(C(=O)[O-])c1)c1ccc(Cl)cc1F ZINC001588376763 983353726 /nfs/dbraw/zinc/35/37/26/983353726.db2.gz GRCUWCBNMZQNNN-OAHLLOKOSA-N -1 0 331.730 3.282 20 30 EGEDRM C#CC[C@H](NC(=O)c1ccccc1Sc1ccccc1)C(=O)[O-] ZINC001588417116 983438550 /nfs/dbraw/zinc/43/85/50/983438550.db2.gz YKNOTROUSOULPT-HNNXBMFYSA-N -1 0 325.389 3.044 20 30 EGEDRM C#CCCOc1ccc(C(=O)NC[C@H](C(=O)[O-])C2CCCCC2)cc1 ZINC001588455686 983480635 /nfs/dbraw/zinc/48/06/35/983480635.db2.gz QUDKJLLCQPWPFR-SFHVURJKSA-N -1 0 343.423 3.100 20 30 EGEDRM C#CCCOc1ccc(C(=O)Nc2cccc(F)c2C(=O)[O-])cc1 ZINC001588457598 983482181 /nfs/dbraw/zinc/48/21/81/983482181.db2.gz DTIBOPXLWSDTHK-UHFFFAOYSA-N -1 0 327.311 3.178 20 30 EGEDRM C#CCN(Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1)C1CSC1 ZINC001588469478 983501914 /nfs/dbraw/zinc/50/19/14/983501914.db2.gz HNJPNGCYTXGHKC-UHFFFAOYSA-N -1 0 327.405 3.195 20 30 EGEDRM C#CCN(Cc1ccc(F)cc1)Cc1cc(C(=O)[O-])ccc1OC ZINC001588469930 983503753 /nfs/dbraw/zinc/50/37/53/983503753.db2.gz UQWOGDDFCQPTNW-UHFFFAOYSA-N -1 0 327.355 3.168 20 30 EGEDRM C#CCOc1ccc(C(=O)Oc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC001588497486 983539026 /nfs/dbraw/zinc/53/90/26/983539026.db2.gz JMWMVOHSHXPWIP-UHFFFAOYSA-N -1 0 330.723 3.269 20 30 EGEDRM C#Cc1cccc(N(Cc2ccccc2)Cc2cnc(C(=O)[O-])cn2)c1 ZINC001588523712 983573254 /nfs/dbraw/zinc/57/32/54/983573254.db2.gz VGBRKNXBXONVNA-UHFFFAOYSA-N -1 0 343.386 3.363 20 30 EGEDRM C#Cc1ccccc1CC(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1 ZINC001588528575 983577095 /nfs/dbraw/zinc/57/70/95/983577095.db2.gz BGABDFUICMPMCT-UHFFFAOYSA-N -1 0 342.420 3.301 20 30 EGEDRM C#Cc1ccccc1CC(=O)O[C@@H](Cc1ccc(Cl)cc1)C(=O)[O-] ZINC001588528840 983578605 /nfs/dbraw/zinc/57/86/05/983578605.db2.gz JJILQFRSYSJZDO-KRWDZBQOSA-N -1 0 342.778 3.103 20 30 EGEDRM C#Cc1ccccc1CC(=O)O[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC001588528922 983578937 /nfs/dbraw/zinc/57/89/37/983578937.db2.gz MABDJRFQSKDPMV-QGZVFWFLSA-N -1 0 346.741 3.372 20 30 EGEDRM C=C(C)[C@H](NC(=O)N1CC[C@H](C(=O)[O-])[C@H]1C)c1ccc(F)c(F)c1 ZINC001588534482 983585786 /nfs/dbraw/zinc/58/57/86/983585786.db2.gz GZKZDWXSUIEHRX-GMXABZIVSA-N -1 0 338.354 3.087 20 30 EGEDRM C=C(C)C[C@@H](C)C(=O)OCC(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC001588536575 983594899 /nfs/dbraw/zinc/59/48/99/983594899.db2.gz RSUVMYYTPHVIQO-SECBINFHSA-N -1 0 339.413 3.147 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)Cc1csc(-c2cccc(F)c2)n1)C(=O)[O-] ZINC001588543813 983612435 /nfs/dbraw/zinc/61/24/35/983612435.db2.gz NYLXKJHABZEFLD-CQSZACIVSA-N -1 0 348.399 3.027 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)c1ccc(Nc2nccs2)cc1F)C(=O)[O-] ZINC001588547076 983618368 /nfs/dbraw/zinc/61/83/68/983618368.db2.gz SVCCDHGLFZKDFL-CYBMUJFWSA-N -1 0 349.387 3.175 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)c1ccc(Oc2ccccc2)cn1)C(=O)[O-] ZINC001588547387 983619958 /nfs/dbraw/zinc/61/99/58/983619958.db2.gz ZMFYKPPGAQXGHC-MRXNPFEDSA-N -1 0 326.352 3.023 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)c1csc(N(C)c2ccccc2)n1)C(=O)[O-] ZINC001588548220 983623591 /nfs/dbraw/zinc/62/35/91/983623591.db2.gz OGCKRXXJWPFXRU-CYBMUJFWSA-N -1 0 345.424 3.060 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)c1cccc2c1ccn2CC(C)C)C(=O)[O-] ZINC001588549057 983626552 /nfs/dbraw/zinc/62/65/52/983626552.db2.gz WQEYTTBDXOVDKT-MRXNPFEDSA-N -1 0 328.412 3.447 20 30 EGEDRM C=C(C)CN(C)C(=O)Nc1cccc(C(=O)[O-])c1Br ZINC001588561678 983643009 /nfs/dbraw/zinc/64/30/09/983643009.db2.gz VSHGLRYTFWLLKG-UHFFFAOYSA-N -1 0 327.178 3.187 20 30 EGEDRM C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1ccc(C(=O)[O-])cn1 ZINC001588567785 983647943 /nfs/dbraw/zinc/64/79/43/983647943.db2.gz SHCHQXZIOMGIBA-UHFFFAOYSA-N -1 0 328.416 3.136 20 30 EGEDRM C=C(C)[C@@H]1OCC[C@@H]1C(=O)O[C@H]1CCCc2cc(C(=O)[O-])ccc21 ZINC001588599441 983690277 /nfs/dbraw/zinc/69/02/77/983690277.db2.gz PYHCQICCOQJIEN-ULQDDVLXSA-N -1 0 330.380 3.287 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N(CCCC)[C@@H]1CCc2ncsc2C1 ZINC001588612244 983702243 /nfs/dbraw/zinc/70/22/43/983702243.db2.gz LODKWTWSLQYGKN-CYBMUJFWSA-N -1 0 336.457 3.050 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)NCC1(c2cccc(F)c2F)CCCC1 ZINC001588624816 983735415 /nfs/dbraw/zinc/73/54/15/983735415.db2.gz XNPWFTJEJYZZOM-UHFFFAOYSA-N -1 0 337.366 3.314 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(N(C)C)cc1C(F)(F)F ZINC001588629241 983736168 /nfs/dbraw/zinc/73/61/68/983736168.db2.gz COOUNPWNKHCCRU-UHFFFAOYSA-N -1 0 330.306 3.131 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H](C)c1ccc(Br)cc1F ZINC001588630141 983741750 /nfs/dbraw/zinc/74/17/50/983741750.db2.gz FCGJAKSALZMEPN-VIFPVBQESA-N -1 0 344.180 3.186 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccccc1NC(=O)C[C@H]1C=CCC1 ZINC001588634032 983751797 /nfs/dbraw/zinc/75/17/97/983751797.db2.gz PUVHXAXNVIWHOG-AWEZNQCLSA-N -1 0 342.395 3.341 20 30 EGEDRM C=C[C@@H](C(=O)NC[C@H](Cc1cccc(C)c1)C(=O)[O-])c1ccccc1 ZINC001588663516 983795709 /nfs/dbraw/zinc/79/57/09/983795709.db2.gz IPJSDVNNSLKXFZ-RBUKOAKNSA-N -1 0 337.419 3.324 20 30 EGEDRM C=CC(C)(C)CCCNS(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC001588677105 983834141 /nfs/dbraw/zinc/83/41/41/983834141.db2.gz QTIKOEMYXIAUNT-UHFFFAOYSA-N -1 0 343.420 3.103 20 30 EGEDRM C=CC(C)(C)CCNC(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001588677242 983834835 /nfs/dbraw/zinc/83/48/35/983834835.db2.gz YUXAMKKETHQWIV-HZPDHXFCSA-N -1 0 330.428 3.099 20 30 EGEDRM C=C[C@H](CC(=O)NCc1nc2cc(C(=O)[O-])ccc2[nH]1)c1ccccc1 ZINC001588690557 983874322 /nfs/dbraw/zinc/87/43/22/983874322.db2.gz BLQWDNAHRIEMBK-CYBMUJFWSA-N -1 0 349.390 3.237 20 30 EGEDRM C=CCC(F)(F)C(=O)O[C@@H](C(=O)[O-])c1ccccc1Br ZINC001588743059 984035861 /nfs/dbraw/zinc/03/58/61/984035861.db2.gz QLPJSQFWPSCNQX-SNVBAGLBSA-N -1 0 349.127 3.329 20 30 EGEDRM C=CCC(F)(F)C(=O)N[C@](CC)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001588743294 984037399 /nfs/dbraw/zinc/03/73/99/984037399.db2.gz WIYDOLPJNSBGNL-AWEZNQCLSA-N -1 0 331.746 3.358 20 30 EGEDRM C=CCC1(C(=O)N2CC[C@@](C(=O)[O-])(c3ccccc3)C2)CCCC1 ZINC001588762193 984115333 /nfs/dbraw/zinc/11/53/33/984115333.db2.gz GUCDIGPUPMXWTP-FQEVSTJZSA-N -1 0 327.424 3.378 20 30 EGEDRM C=CCC1(C(=O)N[C@@H](C)c2ccc(OCC(=O)[O-])cc2)CCCC1 ZINC001588763654 984120072 /nfs/dbraw/zinc/12/00/72/984120072.db2.gz VJCWGDOWLLKXMZ-AWEZNQCLSA-N -1 0 331.412 3.464 20 30 EGEDRM C=CC[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC001588770644 984135136 /nfs/dbraw/zinc/13/51/36/984135136.db2.gz BSVMGFCGRVICHA-XJKSGUPXSA-N -1 0 337.441 3.106 20 30 EGEDRM C=CCCC(C)(C)NC(=O)Nc1ccc(C(=O)OC)c(C(=O)[O-])c1 ZINC001588777673 984156881 /nfs/dbraw/zinc/15/68/81/984156881.db2.gz FIIREHSHZVYFPA-UHFFFAOYSA-N -1 0 334.372 3.038 20 30 EGEDRM C=CCCC[C@H](NC(=O)CCc1cnc2ccccc2c1)C(=O)[O-] ZINC001588788719 984192530 /nfs/dbraw/zinc/19/25/30/984192530.db2.gz LEHFFCMDTRDFEI-KRWDZBQOSA-N -1 0 326.396 3.093 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1cc2cc(OC)ccc2nc1C)C(=O)[O-] ZINC001588792576 984210765 /nfs/dbraw/zinc/21/07/65/984210765.db2.gz KCJJPVCAECXICK-QGZVFWFLSA-N -1 0 342.395 3.091 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1cccc(C(=O)OC(C)(C)C)c1)C(=O)[O-] ZINC001588793460 984218834 /nfs/dbraw/zinc/21/88/34/984218834.db2.gz QXPOECJMHJCKDT-HNNXBMFYSA-N -1 0 347.411 3.181 20 30 EGEDRM C=CCCCCNc1cnn(-c2ccccc2C(=O)[O-])c(=O)c1Cl ZINC001588802121 984247498 /nfs/dbraw/zinc/24/74/98/984247498.db2.gz CNXXCNHXPKCMLO-UHFFFAOYSA-N -1 0 347.802 3.352 20 30 EGEDRM C=CCN(CCc1ccccc1)C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC001588829021 984310881 /nfs/dbraw/zinc/31/08/81/984310881.db2.gz YQLCSBQNAWFTRJ-LUAWRHEFSA-N -1 0 325.364 3.248 20 30 EGEDRM C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001588832504 984322632 /nfs/dbraw/zinc/32/26/32/984322632.db2.gz ICVUPKZBWIGWTJ-UHFFFAOYSA-N -1 0 338.338 3.224 20 30 EGEDRM C=CCOCCCNC(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC001588866973 984429437 /nfs/dbraw/zinc/42/94/37/984429437.db2.gz VKHMDLPAKQHONE-UHFFFAOYSA-N -1 0 328.368 3.252 20 30 EGEDRM CCOC(=O)[C@H]1C/C(=C\c2ccc(C(=O)[O-])[nH]2)C(=O)c2ccccc21 ZINC001596567709 984453509 /nfs/dbraw/zinc/45/35/09/984453509.db2.gz ALHFCQODRHQDNR-GDXASINISA-N -1 0 339.347 3.030 20 30 EGEDRM C=CC[S@@](=O)(=NC(=O)c1ccsc1C(=O)[O-])c1ccccc1 ZINC001588878490 984454453 /nfs/dbraw/zinc/45/44/53/984454453.db2.gz ARDDVAQUKJVKGC-QFIPXVFZSA-N -1 0 335.406 3.300 20 30 EGEDRM C=CC[S@@](=O)(=NC(=O)c1ccsc1CC(=O)[O-])c1ccccc1 ZINC001588878859 984455551 /nfs/dbraw/zinc/45/55/51/984455551.db2.gz LZWNQIZVILQZKJ-QHCPKHFHSA-N -1 0 349.433 3.229 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@H](OC)C1CCCC1 ZINC001588882386 984462479 /nfs/dbraw/zinc/46/24/79/984462479.db2.gz PZQQWJSLSSUTQG-QGZVFWFLSA-N -1 0 348.395 3.233 20 30 EGEDRM CCOC(=O)c1ccc(C#N)c(S[C@@H](C)c2ccc(C(=O)[O-])o2)n1 ZINC001596713077 984931541 /nfs/dbraw/zinc/93/15/41/984931541.db2.gz CSCIGVIJNHDCML-VIFPVBQESA-N -1 0 346.364 3.274 20 30 EGEDRM CCO[C@H]1C[C@H]1C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC001596847553 985559614 /nfs/dbraw/zinc/55/96/14/985559614.db2.gz WQAJPYQFTQOXJZ-MOPGFXCFSA-N -1 0 349.386 3.148 20 30 EGEDRM Cc1[nH]c(C2=NNC(=Nc3ccccc3)SC2)c(C)c1C(=O)[O-] ZINC001599960778 985777813 /nfs/dbraw/zinc/77/78/13/985777813.db2.gz XKOWUGYVVYAQDI-UHFFFAOYSA-N -1 0 328.397 3.058 20 30 EGEDRM Cc1c2cc(C#N)ccc2sc1C(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001599977350 986111855 /nfs/dbraw/zinc/11/18/55/986111855.db2.gz GYXPMBGBNNBYOV-GOSISDBHSA-N -1 0 342.420 3.408 20 30 EGEDRM Cc1c2cc(C#N)ccc2sc1C(=O)NCC1(C(=O)[O-])CCCC1 ZINC001599979552 986144358 /nfs/dbraw/zinc/14/43/58/986144358.db2.gz ABUSSNWACSVZEZ-UHFFFAOYSA-N -1 0 342.420 3.456 20 30 EGEDRM C[C@@H](C#N)CN(C)C(=O)Nc1sc2c(c1C(=O)[O-])CCCCC2 ZINC001589330088 986169245 /nfs/dbraw/zinc/16/92/45/986169245.db2.gz YDPJBUMRAOYSBT-JTQLQIEISA-N -1 0 335.429 3.339 20 30 EGEDRM C[C@H](C#N)CSc1ccccc1NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001589331310 986183695 /nfs/dbraw/zinc/18/36/95/986183695.db2.gz ANIVXYAHYHZANE-FRRDWIJNSA-N -1 0 332.425 3.378 20 30 EGEDRM C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1cc(C(=O)[O-])ccc1F ZINC001589334512 986202480 /nfs/dbraw/zinc/20/24/80/986202480.db2.gz FZSRFJWUROCGML-JTQLQIEISA-N -1 0 343.314 3.459 20 30 EGEDRM CCOc1ccc(C[C@H](C)CNc2ccc(C(=O)[O-])nc2C#N)cc1 ZINC001597085208 986649588 /nfs/dbraw/zinc/64/95/88/986649588.db2.gz QSHCSKLZXVMBBB-ZDUSSCGKSA-N -1 0 339.395 3.341 20 30 EGEDRM CCOc1ccc(NC(=O)N(C[C@H](C)C#N)C2CC2)c(C(=O)[O-])c1F ZINC001597118325 986797586 /nfs/dbraw/zinc/79/75/86/986797586.db2.gz TTYMRAHOGQBBMG-SNVBAGLBSA-N -1 0 349.362 3.079 20 30 EGEDRM CCOc1ccc(O)c(/C=N/[C@H]2CCSC3(CC(C(=O)[O-])C3)C2)c1 ZINC001597129580 986840095 /nfs/dbraw/zinc/84/00/95/986840095.db2.gz FFLBVNWUDYCALL-MDVOHLCVSA-N -1 0 349.452 3.339 20 30 EGEDRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)C2(c3cccc(C#N)c3)CC2)cc1 ZINC001589501955 987102886 /nfs/dbraw/zinc/10/28/86/987102886.db2.gz BRBWXTKFUZABON-CYBMUJFWSA-N -1 0 334.375 3.417 20 30 EGEDRM CC(C)(C(=O)[O-])[C@@H](NC(=O)c1ccc(C#N)cc1F)c1ccccc1 ZINC001589599428 987422890 /nfs/dbraw/zinc/42/28/90/987422890.db2.gz WUQBDRBXJNCAJA-INIZCTEOSA-N -1 0 340.354 3.279 20 30 EGEDRM CC(C)(C(=O)[O-])c1csc(NC(=O)[C@@H](CC#N)c2ccccc2)n1 ZINC001589649224 987587017 /nfs/dbraw/zinc/58/70/17/987587017.db2.gz MVVDSRQBJZHBOT-LBPRGKRZSA-N -1 0 343.408 3.141 20 30 EGEDRM CCc1ccc(NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)cc1Cl ZINC001597548728 988265753 /nfs/dbraw/zinc/26/57/53/988265753.db2.gz ZMAZNFFOGPUEGZ-UHFFFAOYSA-N -1 0 335.791 3.125 20 30 EGEDRM CCc1nc(C#N)cc(NCCc2cc3ccc(C(=O)[O-])cc3o2)n1 ZINC001597647321 988676593 /nfs/dbraw/zinc/67/65/93/988676593.db2.gz YGVPBNBUHJSJHO-UHFFFAOYSA-N -1 0 336.351 3.010 20 30 EGEDRM CCc1oc(/C=C2/S/C(=N/C3CCCCC3)NC2=O)cc1C(=O)[O-] ZINC001597790659 989313820 /nfs/dbraw/zinc/31/38/20/989313820.db2.gz CEEOBKZDJLQZAG-NTEUORMPSA-N -1 0 348.424 3.433 20 30 EGEDRM CC(C)(C)c1ccc(C#N)c(N[C@H]2CCCn3nc(C(=O)[O-])cc32)n1 ZINC001590472078 990042775 /nfs/dbraw/zinc/04/27/75/990042775.db2.gz IFSQIXGJNDCTQU-LBPRGKRZSA-N -1 0 339.399 3.092 20 30 EGEDRM CC(C)(CNc1nccc(Oc2cccc(C#N)c2)n1)CC(=O)[O-] ZINC001590780105 990592014 /nfs/dbraw/zinc/59/20/14/990592014.db2.gz LMPCLMPODQZWON-UHFFFAOYSA-N -1 0 326.356 3.053 20 30 EGEDRM CC(C)(Cc1ccc(C#N)cc1)NC(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001590820576 990656860 /nfs/dbraw/zinc/65/68/60/990656860.db2.gz VPIOWDQVCLARQV-CSKARUKUSA-N -1 0 338.363 3.000 20 30 EGEDRM CN(CCC#N)C(=O)Nc1scc(-c2ccccc2)c1C(=O)[O-] ZINC001598468843 991992109 /nfs/dbraw/zinc/99/21/09/991992109.db2.gz RWWLFHOUZDUCQC-UHFFFAOYSA-N -1 0 329.381 3.491 20 30 EGEDRM C[C@H](Nc1ccc(C#N)c([N+](=O)[O-])c1)c1ccc(OCC(=O)[O-])cc1 ZINC001593360009 995020886 /nfs/dbraw/zinc/02/08/86/995020886.db2.gz MOUOQQLZHGRNDI-NSHDSACASA-N -1 0 341.323 3.103 20 30 EGEDRM C[C@@H](ON=Cc1ccc(C(=O)[O-])cc1)C(=O)Nc1ccc(Cl)cc1 ZINC001593610612 995803817 /nfs/dbraw/zinc/80/38/17/995803817.db2.gz FNDKDSSNLFXDDH-LLVKDONJSA-N -1 0 346.770 3.416 20 30 EGEDRM C[C@@]1(C(=O)[O-])CCCN(C(=O)c2c(Cl)cc(C#N)cc2Cl)C1 ZINC001593773144 996470574 /nfs/dbraw/zinc/47/05/74/996470574.db2.gz ROGCGVXJWMRKGS-OAHLLOKOSA-N -1 0 341.194 3.192 20 30 EGEDRM COc1ccc(C(=O)[O-])cc1CN1CCc2c(CC#N)cccc2C1 ZINC001599501698 997135629 /nfs/dbraw/zinc/13/56/29/997135629.db2.gz VCPDLGKHDBGQFV-UHFFFAOYSA-N -1 0 336.391 3.018 20 30 EGEDRM COc1ccc(/C=C\C(=O)[O-])cc1Oc1cc(C#N)sc1[N+](=O)[O-] ZINC001599545362 997913225 /nfs/dbraw/zinc/91/32/25/997913225.db2.gz DPKLGHWCKCWGRJ-HYXAFXHYSA-N -1 0 346.320 3.427 20 30 EGEDRM COc1cc(NC(=O)c2cccc(SCC#N)c2)ccc1C(=O)[O-] ZINC001599441855 997942424 /nfs/dbraw/zinc/94/24/24/997942424.db2.gz LGJMRSAJPDQIOK-UHFFFAOYSA-N -1 0 342.376 3.261 20 30 EGEDRM COCCOc1cccc(F)c1C(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC001599260990 998385309 /nfs/dbraw/zinc/38/53/09/998385309.db2.gz QMEKDCLMYYBTOB-AATRIKPKSA-N -1 0 334.299 3.038 20 30 EGEDRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)Nc1scc(C(C)(C)C)c1C#N ZINC001594155631 998563053 /nfs/dbraw/zinc/56/30/53/998563053.db2.gz DBKDUWKYRGEUNU-ZJUUUORDSA-N -1 0 335.429 3.244 20 30 EGEDRM CO[C@@H](CNc1ccc(C(=O)[O-])nc1C#N)c1ccccc1Cl ZINC001599056737 999235319 /nfs/dbraw/zinc/23/53/19/999235319.db2.gz YSUUOGTXTASTAP-HNNXBMFYSA-N -1 0 331.759 3.104 20 30 EGEDRM N#Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(Cl)nc1 ZINC000037975710 202071633 /nfs/dbraw/zinc/07/16/33/202071633.db2.gz QEVGDUMCTGTHFF-UHFFFAOYSA-N -1 0 328.180 3.061 20 30 EGEDRM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C#N)c(C)c1 ZINC000180732576 241566900 /nfs/dbraw/zinc/56/69/00/241566900.db2.gz KRCXGINTWQTUDH-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3ncccc3c2)c(F)c1 ZINC000095447429 218391657 /nfs/dbraw/zinc/39/16/57/218391657.db2.gz DABTZGNEBIVNNZ-UHFFFAOYSA-N -1 0 327.340 3.046 20 30 EGEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(C)c(Cl)c1 ZINC000184765159 144098977 /nfs/dbraw/zinc/09/89/77/144098977.db2.gz FGNCTQRRCGMAGJ-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM CCCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2OC)cc1 ZINC000184872997 144100307 /nfs/dbraw/zinc/10/03/07/144100307.db2.gz XNLDVZNICSTUBE-UHFFFAOYSA-N -1 0 346.408 3.156 20 30 EGEDRM N#Cc1cccnc1[N-]S(=O)(=O)c1cccc(-c2ccccc2)c1 ZINC000351400053 144263546 /nfs/dbraw/zinc/26/35/46/144263546.db2.gz QOUAJZKIQJAJOS-UHFFFAOYSA-N -1 0 335.388 3.421 20 30 EGEDRM CCc1ncc(S(=O)(=O)[N-]c2cc(Cl)ccc2C#N)s1 ZINC000343157959 155670708 /nfs/dbraw/zinc/67/07/08/155670708.db2.gz DFOTUHNZJWPSOC-UHFFFAOYSA-N -1 0 327.818 3.031 20 30 EGEDRM Cc1csc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)n1 ZINC000337145213 163143093 /nfs/dbraw/zinc/14/30/93/163143093.db2.gz XEWPANPNMNKUBY-UHFFFAOYSA-N -1 0 347.343 3.143 20 30 EGEDRM CCOc1cc(Cl)ccc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000345723493 164252554 /nfs/dbraw/zinc/25/25/54/164252554.db2.gz VMBRAIDXIHEMDE-UHFFFAOYSA-N -1 0 336.800 3.411 20 30 EGEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C)c(C)s1 ZINC000358561578 166900388 /nfs/dbraw/zinc/90/03/88/166900388.db2.gz NBTHSCYNBIKJMK-UHFFFAOYSA-N -1 0 336.438 3.436 20 30 EGEDRM CC(C)(C)n1cc(C#N)c(=NC(=O)c2ccn(Cc3ccccc3)c2)[n-]1 ZINC000359075694 167059651 /nfs/dbraw/zinc/05/96/51/167059651.db2.gz IYABVKTYZIIMMH-UHFFFAOYSA-N -1 0 347.422 3.034 20 30 EGEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1ccc(C(=O)C2CCC2)cc1 ZINC000362713517 167826719 /nfs/dbraw/zinc/82/67/19/167826719.db2.gz BUWOAVSZIBYHCV-UHFFFAOYSA-N -1 0 340.404 3.342 20 30 EGEDRM CC(C)Oc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000427107481 270049692 /nfs/dbraw/zinc/04/96/92/270049692.db2.gz KMWZFCPBAFNPSI-UHFFFAOYSA-N -1 0 334.372 3.285 20 30 EGEDRM CC(=Cc1cccc(OC(F)(F)F)c1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000435337924 270051274 /nfs/dbraw/zinc/05/12/74/270051274.db2.gz ZSOMFRCYKYQHRR-TWGQIWQCSA-N -1 0 335.285 3.409 20 30 EGEDRM Cc1cc(C)c(-c2cc(=NC(=O)c3ccc(C#N)c([O-])c3)[nH][nH]2)cc1C ZINC000443550309 270052394 /nfs/dbraw/zinc/05/23/94/270052394.db2.gz OHUJJNPRFIHZQN-UHFFFAOYSA-N -1 0 346.390 3.253 20 30 EGEDRM Cc1ccc(F)cc1-c1n[n-]c(=NC(=O)c2ccc(C#N)s2)s1 ZINC000469891818 270055156 /nfs/dbraw/zinc/05/51/56/270055156.db2.gz GVPJCAFZUUPVAM-UHFFFAOYSA-N -1 0 344.396 3.260 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)cc1[O-] ZINC000188328024 265669662 /nfs/dbraw/zinc/66/96/62/265669662.db2.gz BHCMKTKCZBIXMQ-KRWDZBQOSA-N -1 0 338.363 3.074 20 30 EGEDRM CC(=Cc1ccc([N+](=O)[O-])cc1Cl)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000193615458 266046710 /nfs/dbraw/zinc/04/67/10/266046710.db2.gz PZOKFUMXCXXHEC-YVMONPNESA-N -1 0 330.731 3.072 20 30 EGEDRM N#Cc1cccnc1[N-]S(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000194717460 266139322 /nfs/dbraw/zinc/13/93/22/266139322.db2.gz CRQUAYROSQJXSE-UHFFFAOYSA-N -1 0 342.207 3.202 20 30 EGEDRM CCCc1nc(C)c([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)s1 ZINC000427331096 267043568 /nfs/dbraw/zinc/04/35/68/267043568.db2.gz XPCGBYSKRBKTSB-UHFFFAOYSA-N -1 0 339.417 3.216 20 30 EGEDRM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1c[nH]c2cccc(F)c21 ZINC000185276791 267288799 /nfs/dbraw/zinc/28/87/99/267288799.db2.gz HXLNGXXLYGSUOS-UHFFFAOYSA-N -1 0 329.356 3.288 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2cc(-c3ccccc3)on2)ccc1C#N ZINC000446809770 268017905 /nfs/dbraw/zinc/01/79/05/268017905.db2.gz KRXFNYCRWJOKGK-UHFFFAOYSA-N -1 0 339.376 3.323 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2ccnn2[C@@H](C)CC(C)C)ccc1C#N ZINC000446807826 268019343 /nfs/dbraw/zinc/01/93/43/268019343.db2.gz FOXRIXTWNFULFP-AWEZNQCLSA-N -1 0 346.456 3.471 20 30 EGEDRM Cc1occc1-c1cc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)no1 ZINC000427771069 268105988 /nfs/dbraw/zinc/10/59/88/268105988.db2.gz NGOYBJDNWYTGFG-UHFFFAOYSA-N -1 0 347.327 3.055 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2ccc(NC3CCOCC3)cc2)cc1[O-] ZINC000442640859 268205819 /nfs/dbraw/zinc/20/58/19/268205819.db2.gz CFWOFJFDMDQUAC-UHFFFAOYSA-N -1 0 337.379 3.107 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C#N)cc1Cl ZINC000180736893 268208060 /nfs/dbraw/zinc/20/80/60/268208060.db2.gz JHUWRGQKRZFQPD-UHFFFAOYSA-N -1 0 335.747 3.023 20 30 EGEDRM CCCOc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2OC)c1 ZINC000184803619 275213499 /nfs/dbraw/zinc/21/34/99/275213499.db2.gz WERSHRGIUWETPT-UHFFFAOYSA-N -1 0 346.408 3.156 20 30 EGEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)c1c(C)cc(C)cc1C ZINC000545294092 314753120 /nfs/dbraw/zinc/75/31/20/314753120.db2.gz TYKSDDOXAUDUOB-UHFFFAOYSA-N -1 0 330.409 3.293 20 30 EGEDRM CC(C)n1cc(N=c2[n-]nc(-c3cccc(C#N)c3)n2C2CC2)cn1 ZINC000563418315 316018588 /nfs/dbraw/zinc/01/85/88/316018588.db2.gz WEFUDTBEUJCNTK-UHFFFAOYSA-N -1 0 333.399 3.095 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(C3CCCCC3)[nH]n2)cc1F ZINC000563769207 316066252 /nfs/dbraw/zinc/06/62/52/316066252.db2.gz YVWPXFNYJXAAJR-UHFFFAOYSA-N -1 0 348.403 3.269 20 30 EGEDRM CC(C)Oc1ccc(NC(=O)N2CCC[C@@H](CC(=O)[O-])C2)cc1C#N ZINC000564309300 316134291 /nfs/dbraw/zinc/13/42/91/316134291.db2.gz ATEKLENVNBUMOU-ZDUSSCGKSA-N -1 0 345.399 3.064 20 30 EGEDRM Cc1cccc([N-]S(=O)(=O)c2ccccc2OC(F)F)c1C#N ZINC000181148323 323470880 /nfs/dbraw/zinc/47/08/80/323470880.db2.gz UFXLLSZTEFJCGD-UHFFFAOYSA-N -1 0 338.335 3.269 20 30 EGEDRM COc1cc(F)cc2sc(NC(=O)c3ccc(C#N)c([O-])c3)nc21 ZINC000188364938 323764938 /nfs/dbraw/zinc/76/49/38/323764938.db2.gz HENWNZJASZOZCI-UHFFFAOYSA-N -1 0 343.339 3.274 20 30 EGEDRM Cc1cc([N-]S(=O)(=O)c2cc(C(C)C)ccc2Cl)ncc1C#N ZINC000579973216 325185543 /nfs/dbraw/zinc/18/55/43/325185543.db2.gz WQOXUUJQIHPTJL-UHFFFAOYSA-N -1 0 349.843 3.261 20 30 EGEDRM Cc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc(C#N)nc1 ZINC000173576938 455308995 /nfs/dbraw/zinc/30/89/95/455308995.db2.gz VTQDELOLEHGHJE-UHFFFAOYSA-N -1 0 341.314 3.081 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)cc1 ZINC000007056084 453025705 /nfs/dbraw/zinc/02/57/05/453025705.db2.gz LPZMJXFNHRVXMQ-UHFFFAOYSA-N -1 0 326.299 3.378 20 30 EGEDRM C[C@@H]1CN(c2c(C#N)cnc3ccc(Cl)cc32)CC[C@@H]1C(=O)[O-] ZINC000600801518 460609443 /nfs/dbraw/zinc/60/94/43/460609443.db2.gz RCZULUYOIZLNHO-MFKMUULPSA-N -1 0 329.787 3.307 20 30 EGEDRM CCN(Cc1cccs1)C(=O)c1cc(C#N)c(SC)[n-]c1=O ZINC000031907431 453857182 /nfs/dbraw/zinc/85/71/82/453857182.db2.gz LRWLKJZBPVMJEG-UHFFFAOYSA-N -1 0 333.438 3.105 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2ccn(-c3cccc(F)c3)n2)n1 ZINC000067893393 453978339 /nfs/dbraw/zinc/97/83/39/453978339.db2.gz JQRFHZBVQJOMRG-ZDUSSCGKSA-N -1 0 326.356 3.266 20 30 EGEDRM N#Cc1cccc(S(=O)(=O)[N-]c2ccccc2OCC2CC2)c1 ZINC000076938141 454050295 /nfs/dbraw/zinc/05/02/95/454050295.db2.gz XIDMKHRNMZRXBA-UHFFFAOYSA-N -1 0 328.393 3.148 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)NCc2cc3ccccc3o2)cc1C#N ZINC000077217000 454077053 /nfs/dbraw/zinc/07/70/53/454077053.db2.gz QVLWMCORURWJEG-UHFFFAOYSA-N -1 0 339.376 3.057 20 30 EGEDRM C=CCOc1cccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)c1 ZINC000057124111 454104389 /nfs/dbraw/zinc/10/43/89/454104389.db2.gz JYWMOEPWJGJDSJ-UHFFFAOYSA-N -1 0 325.336 3.330 20 30 EGEDRM CN(C)C(=O)c1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)cc1 ZINC000077559392 454123349 /nfs/dbraw/zinc/12/33/49/454123349.db2.gz ZAPPLCMPWVNNBF-AWEZNQCLSA-N -1 0 333.347 3.020 20 30 EGEDRM C=C[C@@H](CC(=O)NCc1cccc(OCC(=O)[O-])c1)c1ccccc1 ZINC000191001102 455422566 /nfs/dbraw/zinc/42/25/66/455422566.db2.gz AKPPOZPJXFLIMA-INIZCTEOSA-N -1 0 339.391 3.126 20 30 EGEDRM O=C(CCc1ccco1)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000058426449 454202161 /nfs/dbraw/zinc/20/21/61/454202161.db2.gz ZMQBKZBEKYESIA-UHFFFAOYSA-N -1 0 331.752 3.350 20 30 EGEDRM C=CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000119654170 454211048 /nfs/dbraw/zinc/21/10/48/454211048.db2.gz VRUORFVVGMIDDB-UHFFFAOYSA-N -1 0 348.399 3.396 20 30 EGEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1ccc(-c2nccs2)cc1 ZINC000096695260 454376735 /nfs/dbraw/zinc/37/67/35/454376735.db2.gz RWAMCQJXNPJPEA-UHFFFAOYSA-N -1 0 341.417 3.483 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)Cc2cn(C)c3ccccc23)s1 ZINC000062674590 454385172 /nfs/dbraw/zinc/38/51/72/454385172.db2.gz NNUZTRZIOVXNLW-UHFFFAOYSA-N -1 0 348.449 3.436 20 30 EGEDRM N#CC(=C([O-])c1ccc2nncn2c1)c1nc(-c2ccccc2)cs1 ZINC000073089002 454393178 /nfs/dbraw/zinc/39/31/78/454393178.db2.gz PJKQONXJDCXVSY-AWEZNQCLSA-N -1 0 345.387 3.343 20 30 EGEDRM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(Cl)cn1 ZINC000073314182 454420361 /nfs/dbraw/zinc/42/03/61/454420361.db2.gz FRUQQZAUZKXKTP-UHFFFAOYSA-N -1 0 328.180 3.061 20 30 EGEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000064479003 454485158 /nfs/dbraw/zinc/48/51/58/454485158.db2.gz CKDXRVROXKESAZ-UHFFFAOYSA-N -1 0 340.763 3.160 20 30 EGEDRM O=C(CC[C@@H]1CCCO1)[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000048408445 454487015 /nfs/dbraw/zinc/48/70/15/454487015.db2.gz TWSUMNJGBVTICK-HNNXBMFYSA-N -1 0 333.409 3.444 20 30 EGEDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000048424617 454487518 /nfs/dbraw/zinc/48/75/18/454487518.db2.gz PXLIPZAAOOKQCP-PBWFPOADSA-N -1 0 335.425 3.036 20 30 EGEDRM CCCN(Cc1ccccc1)C(=O)c1cc(C#N)c(SC)[n-]c1=O ZINC000074351574 454568959 /nfs/dbraw/zinc/56/89/59/454568959.db2.gz DZGOUEOYOIMYIQ-UHFFFAOYSA-N -1 0 341.436 3.433 20 30 EGEDRM N#CCc1ccc(NC(=O)c2ccc(Br)cc2[O-])cc1 ZINC000050165425 454577149 /nfs/dbraw/zinc/57/71/49/454577149.db2.gz UKSXBGOPFOBRFR-UHFFFAOYSA-N -1 0 331.169 3.473 20 30 EGEDRM CCOc1ncccc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000093243587 454695387 /nfs/dbraw/zinc/69/53/87/454695387.db2.gz MNVQBIOPJCOZBF-LBPRGKRZSA-N -1 0 335.285 3.384 20 30 EGEDRM COc1ccc(OC(C)C)c([N-]S(=O)(=O)c2cccc(C#N)c2)c1 ZINC000106722798 454714767 /nfs/dbraw/zinc/71/47/67/454714767.db2.gz QJRHQYBLQJLMME-UHFFFAOYSA-N -1 0 346.408 3.155 20 30 EGEDRM C=CCCO[C@H](C)C(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000191473651 455487435 /nfs/dbraw/zinc/48/74/35/455487435.db2.gz BHKVYKWRCMKWIE-DYVFJYSZSA-N -1 0 327.380 3.063 20 30 EGEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(F)cc(F)c2)c1 ZINC000160762837 455495951 /nfs/dbraw/zinc/49/59/51/455495951.db2.gz RKYNEANDOWWARM-UHFFFAOYSA-N -1 0 328.727 3.291 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc3[nH]ccc32)c(Cl)c1 ZINC000183042022 455215560 /nfs/dbraw/zinc/21/55/60/455215560.db2.gz XHTLRIVNCCVMHD-UHFFFAOYSA-N -1 0 331.784 3.494 20 30 EGEDRM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2cc(C#N)ccc2C)n[nH]1 ZINC000159881000 455412698 /nfs/dbraw/zinc/41/26/98/455412698.db2.gz KGYVKFZVMOFHKZ-NSHDSACASA-N -1 0 332.429 3.294 20 30 EGEDRM CCc1noc2ncc(C([O-])=C(C#N)c3cnc4ccccc4n3)cc12 ZINC000190963050 455415552 /nfs/dbraw/zinc/41/55/52/455415552.db2.gz YANMEZMODSEMNX-CYBMUJFWSA-N -1 0 343.346 3.218 20 30 EGEDRM Cc1[nH]nc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)c1C#N ZINC000185649255 455589547 /nfs/dbraw/zinc/58/95/47/455589547.db2.gz IFNAOGGCEVUGHE-UHFFFAOYSA-N -1 0 338.392 3.058 20 30 EGEDRM C=C[C@H](CC(=O)N[C@]1(C(=O)[O-])C[C@H](OCC)C1(C)C)c1ccccc1 ZINC000193030586 455736843 /nfs/dbraw/zinc/73/68/43/455736843.db2.gz SQSYRPJQDJJZEC-IIMJZQEZSA-N -1 0 345.439 3.121 20 30 EGEDRM Cc1cccc(C)c1CS(=O)(=O)[N-]c1nn(C(C)(C)C)cc1C#N ZINC000295299703 455845443 /nfs/dbraw/zinc/84/54/43/455845443.db2.gz MCMPKDNAYQYMQX-UHFFFAOYSA-N -1 0 346.456 3.069 20 30 EGEDRM O=C1OCCN1Cc1ccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000255212797 455862782 /nfs/dbraw/zinc/86/27/82/455862782.db2.gz RUYMQHPAJPNTCL-UHFFFAOYSA-N -1 0 341.323 3.003 20 30 EGEDRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC000263113409 456094272 /nfs/dbraw/zinc/09/42/72/456094272.db2.gz LFGZMTWGZBIKDG-QWHCGFSZSA-N -1 0 329.400 3.062 20 30 EGEDRM C[C@H]1C[C@@H](C(=O)[O-])CN(c2c(C#N)cnc3c(F)c(F)c(F)cc32)C1 ZINC000263230393 456112778 /nfs/dbraw/zinc/11/27/78/456112778.db2.gz QMFHBIPICPEDIP-DTWKUNHWSA-N -1 0 349.312 3.071 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2F)s1 ZINC000337789637 456547299 /nfs/dbraw/zinc/54/72/99/456547299.db2.gz AOKOMVJNFHAEHD-UHFFFAOYSA-N -1 0 348.327 3.161 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cccc(C(C)=O)c2)n1 ZINC000340884265 456739154 /nfs/dbraw/zinc/73/91/54/456739154.db2.gz UUPGQJXNPZGZBJ-ZDUSSCGKSA-N -1 0 342.376 3.012 20 30 EGEDRM CC(C)c1nn(C)cc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000353657965 456836344 /nfs/dbraw/zinc/83/63/44/456836344.db2.gz VKYHWVPUGNBZHB-NSHDSACASA-N -1 0 336.317 3.447 20 30 EGEDRM CCn1nncc1C([O-])=C(C#N)c1nc(-c2ccc(C)cc2)cs1 ZINC000344792392 456859248 /nfs/dbraw/zinc/85/92/48/456859248.db2.gz USCAEEJEWBAIBK-ZDUSSCGKSA-N -1 0 337.408 3.220 20 30 EGEDRM O=C(NCCC12CC3CC(CC(C3)C1)C2)c1cccn2c([O-])nnc12 ZINC000329269724 456864576 /nfs/dbraw/zinc/86/45/76/456864576.db2.gz FIKNAFNSWIGPLT-UHFFFAOYSA-N -1 0 340.427 3.346 20 30 EGEDRM C[C@H]1C[C@H](C([O-])=Nc2cccc(-c3nnnn3C3CC3)c2)CC(=O)N1 ZINC000329355201 456878283 /nfs/dbraw/zinc/87/82/83/456878283.db2.gz VPYVTNUOGGXGLC-JQWIXIFHSA-N -1 0 340.387 3.018 20 30 EGEDRM CC(C)(C)n1cc(C#N)c(=NC(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]23)[n-]1 ZINC000329660162 456923373 /nfs/dbraw/zinc/92/33/73/456923373.db2.gz OJRFNILMPBZIEV-CWRNSKLLSA-N -1 0 328.460 3.477 20 30 EGEDRM C=CCOc1ccccc1CNC(=O)c1cc(C(=O)[O-])c(CC)o1 ZINC000339088075 456934519 /nfs/dbraw/zinc/93/45/19/456934519.db2.gz MKTOPOCJTGGKCV-UHFFFAOYSA-N -1 0 329.352 3.035 20 30 EGEDRM CC[C@@H]1CC[C@H](C(=O)NCc2ccc([C@]3(C)NC(=O)NC3=O)cc2)O1 ZINC000329771613 456938539 /nfs/dbraw/zinc/93/85/39/456938539.db2.gz KATLHGHAQBJRQN-LBTNJELSSA-N -1 0 345.399 3.200 20 30 EGEDRM COC(C)(C)C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000345902658 457005540 /nfs/dbraw/zinc/00/55/40/457005540.db2.gz JPFJBEDBPGWWEJ-UHFFFAOYSA-N -1 0 337.375 3.148 20 30 EGEDRM N#CC[C@@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000356565746 457058796 /nfs/dbraw/zinc/05/87/96/457058796.db2.gz MESZDWPANDOJPC-ZDUSSCGKSA-N -1 0 325.324 3.326 20 30 EGEDRM CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000330776501 457084254 /nfs/dbraw/zinc/08/42/54/457084254.db2.gz JBJPSNQNXPFEMW-XHDPSFHLSA-N -1 0 336.388 3.446 20 30 EGEDRM CC(C)n1cc(C#N)c(=NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)[n-]1 ZINC000331071926 457127786 /nfs/dbraw/zinc/12/77/86/457127786.db2.gz UDGRUIDKWWHTHV-ZYHUDNBSSA-N -1 0 328.338 3.065 20 30 EGEDRM CC1(C)CCCC[C@H]1NC(=O)N=c1[n-]nc(CC(F)(F)F)s1 ZINC000331176834 457142472 /nfs/dbraw/zinc/14/24/72/457142472.db2.gz PYBOWLRIXXJGKN-MRVPVSSYSA-N -1 0 336.383 3.360 20 30 EGEDRM N#CCCCC(=O)Nc1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000360018577 457206181 /nfs/dbraw/zinc/20/61/81/457206181.db2.gz URPIMUGRAZSTPG-UHFFFAOYSA-N -1 0 343.408 3.120 20 30 EGEDRM N#CC(=C([O-])c1cnn(-c2ccccc2)c1C1CC1)c1ccncn1 ZINC000354466104 457240470 /nfs/dbraw/zinc/24/04/70/457240470.db2.gz MJBBIQNOAAJCNR-HNNXBMFYSA-N -1 0 329.363 3.030 20 30 EGEDRM Cc1nn(C)c2nc(C([O-])=C(C#N)c3nc(C(C)C)cs3)ccc12 ZINC000342361948 457256409 /nfs/dbraw/zinc/25/64/09/457256409.db2.gz AICUYYQCUWUQPW-LBPRGKRZSA-N -1 0 339.424 3.347 20 30 EGEDRM N#Cc1ccc(C(F)(F)F)nc1N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000347237337 457304823 /nfs/dbraw/zinc/30/48/23/457304823.db2.gz POCLVCUUGZQGNZ-LBPRGKRZSA-N -1 0 335.285 3.080 20 30 EGEDRM N#Cc1c[nH]c(C(=O)Nc2cc(Br)cc(Cl)c2[O-])c1 ZINC000342472644 457323581 /nfs/dbraw/zinc/32/35/81/457323581.db2.gz JRRGJOVEOUWNDT-UHFFFAOYSA-N -1 0 340.564 3.260 20 30 EGEDRM Cc1[n-][nH]c(=NC(=O)c2cccc(-c3c(F)cccc3F)c2)c1C#N ZINC000357259353 457404990 /nfs/dbraw/zinc/40/49/90/457404990.db2.gz OZDNIJBZEXQLFY-UHFFFAOYSA-N -1 0 338.317 3.209 20 30 EGEDRM Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)CCC3)c1C#N ZINC000357366140 457475172 /nfs/dbraw/zinc/47/51/72/457475172.db2.gz DQUPCLWAYXTGTF-UHFFFAOYSA-N -1 0 340.404 3.187 20 30 EGEDRM N#Cc1cc([N-]S(=O)(=O)c2c(F)c(F)cc(F)c2F)ccc1F ZINC000342851529 457554147 /nfs/dbraw/zinc/55/41/47/457554147.db2.gz IPBVMSYPIWDBCV-UHFFFAOYSA-N -1 0 348.252 3.055 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3nccs3)c2)o1 ZINC000361133582 457603883 /nfs/dbraw/zinc/60/38/83/457603883.db2.gz YCFQZPWLZMADBR-UHFFFAOYSA-N -1 0 331.378 3.076 20 30 EGEDRM CC(C)Cc1n[n-]c(=NC(=O)N(C)[C@@H](C)c2cccc(C#N)c2)s1 ZINC000425621747 457614664 /nfs/dbraw/zinc/61/46/64/457614664.db2.gz LZQDDQUNEVYBOA-LBPRGKRZSA-N -1 0 343.456 3.255 20 30 EGEDRM COc1cncc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)n1 ZINC000361196595 457641978 /nfs/dbraw/zinc/64/19/78/457641978.db2.gz ZRYXNMJUHURGDE-SECBINFHSA-N -1 0 344.783 3.238 20 30 EGEDRM COc1c(C([O-])=C(C#N)c2nc3ccccc3o2)cccc1[N+](=O)[O-] ZINC000361673955 457816315 /nfs/dbraw/zinc/81/63/15/457816315.db2.gz BBBMTCQUIRSYMU-NSHDSACASA-N -1 0 337.291 3.235 20 30 EGEDRM C=CCc1cc(CN[C@H](C(=O)[O-])c2ccsc2)cc(OC)c1O ZINC000426782957 457901014 /nfs/dbraw/zinc/90/10/14/457901014.db2.gz IRCCSEWUSRTDGO-HNNXBMFYSA-N -1 0 333.409 3.106 20 30 EGEDRM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1ccc(CC#N)cc1 ZINC000434628803 458026371 /nfs/dbraw/zinc/02/63/71/458026371.db2.gz UPTRWKRENVUVBP-UHFFFAOYSA-N -1 0 330.409 3.179 20 30 EGEDRM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C#N)c(F)c1 ZINC000358807710 458230662 /nfs/dbraw/zinc/23/06/62/458230662.db2.gz YIAPLZAJRLZDBQ-UHFFFAOYSA-N -1 0 340.763 3.160 20 30 EGEDRM CC(C)(C)c1nc(=NC(=O)c2cccc(SCC#N)c2)s[n-]1 ZINC000429809583 458374000 /nfs/dbraw/zinc/37/40/00/458374000.db2.gz JTSLVAYVEUTPNK-UHFFFAOYSA-N -1 0 332.454 3.125 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cnc(C(C)C)s2)n1 ZINC000448324253 458400466 /nfs/dbraw/zinc/40/04/66/458400466.db2.gz CZXNGIPGSPNDJM-VIFPVBQESA-N -1 0 349.437 3.390 20 30 EGEDRM CCCc1[nH]ccc1C([O-])=C(C#N)c1nc(C(=O)OCC)cs1 ZINC000422120994 458425841 /nfs/dbraw/zinc/42/58/41/458425841.db2.gz NOTMJTQJOVKOOO-NSHDSACASA-N -1 0 331.397 3.090 20 30 EGEDRM COc1ccc(CN=c2[n-]nc(S[C@@H]3CC[C@H](C#N)C3)s2)cc1 ZINC000450779346 458456662 /nfs/dbraw/zinc/45/66/62/458456662.db2.gz WETADXJRYICVHJ-GXTWGEPZSA-N -1 0 346.481 3.365 20 30 EGEDRM CC(=O)Nc1nc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)cs1 ZINC000430597960 458469507 /nfs/dbraw/zinc/46/95/07/458469507.db2.gz BKGYAKMZZFVKDQ-VIFPVBQESA-N -1 0 348.453 3.346 20 30 EGEDRM C=CCn1c([C@@H]2CC[C@H](C)O2)n[n-]c1=Nc1ccc(CC)c(OC)c1 ZINC000453414599 458526170 /nfs/dbraw/zinc/52/61/70/458526170.db2.gz ONPXTZURNIFJTD-BBRMVZONSA-N -1 0 342.443 3.441 20 30 EGEDRM CN(CC(C)(C)C#N)C(=O)N=c1nc(-c2cccc(Cl)c2)[n-]s1 ZINC000455157489 458586951 /nfs/dbraw/zinc/58/69/51/458586951.db2.gz OBLFHXDPKCIFOP-UHFFFAOYSA-N -1 0 349.847 3.294 20 30 EGEDRM C=CC[C@H](CC)NC(=O)N=c1[n-]nc(Cc2cccc(F)c2)s1 ZINC000439501351 458718983 /nfs/dbraw/zinc/71/89/83/458718983.db2.gz SCPXPSDCYDBLCI-ZDUSSCGKSA-N -1 0 334.420 3.166 20 30 EGEDRM Cc1c(F)cccc1S(=O)(=O)[N-]c1cc(C#N)c2ccccc2n1 ZINC000508130135 458757376 /nfs/dbraw/zinc/75/73/76/458757376.db2.gz XRHNJKGXBKDGFP-UHFFFAOYSA-N -1 0 341.367 3.355 20 30 EGEDRM C=CCOc1cccc(NC(=O)N(CC(=O)[O-])Cc2ccccc2)c1 ZINC000516842281 458822264 /nfs/dbraw/zinc/82/22/64/458822264.db2.gz XLGBATKHCDEWIV-UHFFFAOYSA-N -1 0 340.379 3.370 20 30 EGEDRM C=CCOCCCSc1n[n-]c(=Nc2cccc(OC)c2)s1 ZINC000475941809 458972726 /nfs/dbraw/zinc/97/27/26/458972726.db2.gz QQIDIJHRVLUHTI-UHFFFAOYSA-N -1 0 337.470 3.397 20 30 EGEDRM C=CCC[C@@H](NC(=O)NCc1cc(C)cc2c(C)c(C)[nH]c21)C(=O)[O-] ZINC000556710461 458994130 /nfs/dbraw/zinc/99/41/30/458994130.db2.gz MPPHVOKXQZGORR-MRXNPFEDSA-N -1 0 343.427 3.312 20 30 EGEDRM CC(=Cc1cccc(OC2CC2)c1F)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000594695424 459132501 /nfs/dbraw/zinc/13/25/01/459132501.db2.gz GEDMEQMJETVTHP-NTMALXAHSA-N -1 0 325.343 3.191 20 30 EGEDRM C=C[C@H](CC(=O)N=c1nc(-c2cccnc2)[n-]s1)c1ccccc1 ZINC000534736264 459349067 /nfs/dbraw/zinc/34/90/67/459349067.db2.gz QSUYSDXREPYDAU-CYBMUJFWSA-N -1 0 336.420 3.320 20 30 EGEDRM C[C@@H]1CCC[C@](C#N)(NC(=O)c2cccc(Br)c2[O-])C1 ZINC000536689415 459361358 /nfs/dbraw/zinc/36/13/58/459361358.db2.gz PTBBKKYYHAJALU-BMIGLBTASA-N -1 0 337.217 3.357 20 30 EGEDRM C=CCC[C@@H](NC(=O)Nc1ccc2nc(C3CC3)oc2c1)C(=O)[O-] ZINC000569322794 459431352 /nfs/dbraw/zinc/43/13/52/459431352.db2.gz VUUTXBAPEBKBHL-CYBMUJFWSA-N -1 0 329.356 3.246 20 30 EGEDRM C=CCOc1ccccc1C(=O)Nc1ccc(OCC(=O)[O-])cc1C ZINC000485891904 459476984 /nfs/dbraw/zinc/47/69/84/459476984.db2.gz GHMLEMFGICVHCR-UHFFFAOYSA-N -1 0 341.363 3.276 20 30 EGEDRM C[C@H](NS(=O)(=O)c1ccc(C#N)c(F)c1)c1cc2ccccc2o1 ZINC000489034484 459558426 /nfs/dbraw/zinc/55/84/26/459558426.db2.gz BQMXIBKCZKBCHT-NSHDSACASA-N -1 0 344.367 3.483 20 30 EGEDRM C=CCCCS(=O)(=O)[N-][C@H](c1c(F)cccc1F)C(F)(F)F ZINC000489655409 459569572 /nfs/dbraw/zinc/56/95/72/459569572.db2.gz XPWRMQKYIRELEE-GFCCVEGCSA-N -1 0 343.317 3.454 20 30 EGEDRM COC(=O)c1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cc1 ZINC000592398698 459592053 /nfs/dbraw/zinc/59/20/53/459592053.db2.gz HAFCFMFOVJKABT-ZDUSSCGKSA-N -1 0 326.377 3.297 20 30 EGEDRM CNc1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cc1[N+](=O)[O-] ZINC000592399834 459593616 /nfs/dbraw/zinc/59/36/16/459593616.db2.gz WJVATXMTEDVLGO-LLVKDONJSA-N -1 0 342.380 3.460 20 30 EGEDRM COc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2F)c(C)cc1C ZINC000527277665 459621351 /nfs/dbraw/zinc/62/13/51/459621351.db2.gz JTJWUSUHBVWKSQ-UHFFFAOYSA-N -1 0 334.372 3.124 20 30 EGEDRM CC(C)CCN(CCC#N)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000592761823 459686150 /nfs/dbraw/zinc/68/61/50/459686150.db2.gz LRINUMZZWWAYMM-UHFFFAOYSA-N -1 0 339.779 3.356 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)/C=C/c2ccc(OC(C)C)cc2)CC1 ZINC000493618807 459760123 /nfs/dbraw/zinc/76/01/23/459760123.db2.gz CAYZKNXKAIBEMY-JXMROGBWSA-N -1 0 349.452 3.042 20 30 EGEDRM CCc1cc(C#N)c([N-]S(=O)(=O)c2ccc3c(c2)COC3)s1 ZINC000584723663 459791400 /nfs/dbraw/zinc/79/14/00/459791400.db2.gz MLCSIWSOHYMNNO-UHFFFAOYSA-N -1 0 334.422 3.013 20 30 EGEDRM N#CCc1ccc(S(=O)(=O)[N-]c2cccc(C3CC3)n2)c(Cl)c1 ZINC000574999849 459906581 /nfs/dbraw/zinc/90/65/81/459906581.db2.gz ZWSZZIHHAORURY-UHFFFAOYSA-N -1 0 347.827 3.479 20 30 EGEDRM Cc1ccc(C#N)cc1NC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000593950599 460023911 /nfs/dbraw/zinc/02/39/11/460023911.db2.gz DQIKZQSVQVMHNY-KWCYVHTRSA-N -1 0 329.400 3.124 20 30 EGEDRM CCc1cccc(CC)c1S(=O)(=O)[N-]c1cc(C)nn1CCC#N ZINC000609876384 460032263 /nfs/dbraw/zinc/03/22/63/460032263.db2.gz SPNUYHWVINHITQ-UHFFFAOYSA-N -1 0 346.456 3.031 20 30 EGEDRM Cn1ncc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)c1C(F)F ZINC000589830007 460143122 /nfs/dbraw/zinc/14/31/22/460143122.db2.gz CQONMUZDMJUSQR-MRVPVSSYSA-N -1 0 344.243 3.262 20 30 EGEDRM CCCc1ccc([C@@H](NC(=O)N=c2[n-]n(C)cc2C#N)C(C)C)cc1 ZINC000610562217 460184631 /nfs/dbraw/zinc/18/46/31/460184631.db2.gz LAYMWAKXDLQTLZ-KRWDZBQOSA-N -1 0 339.443 3.185 20 30 EGEDRM C[C@@H](NC(=O)N=c1ccc(-c2ccccc2)n[n-]1)c1cccc(C#N)c1 ZINC000610949324 460265293 /nfs/dbraw/zinc/26/52/93/460265293.db2.gz FNHPOBRVGJCHAR-CQSZACIVSA-N -1 0 343.390 3.320 20 30 EGEDRM Cn1ccc2cccc([N-]S(=O)(=O)c3cccc(CC#N)c3)c21 ZINC000619463883 460363148 /nfs/dbraw/zinc/36/31/48/460363148.db2.gz RDVGNFCQQRTKSH-UHFFFAOYSA-N -1 0 325.393 3.045 20 30 EGEDRM CC[C@@](C)(CC(=O)[O-])C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000601985462 460971671 /nfs/dbraw/zinc/97/16/71/460971671.db2.gz YWRIGRQNZKYWDE-AWEZNQCLSA-N -1 0 344.289 3.286 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)CCCOc1ccccc1Cl)C(=O)[O-] ZINC000630325769 461095698 /nfs/dbraw/zinc/09/56/98/461095698.db2.gz LIKKJOPRPGMQMC-CYBMUJFWSA-N -1 0 325.792 3.035 20 30 EGEDRM CC(C)c1csc(C(C#N)=C([O-])c2cncc(N3CCCC3)n2)n1 ZINC000633923594 461329597 /nfs/dbraw/zinc/32/95/97/461329597.db2.gz IWZRJYWRWRDJEX-LBPRGKRZSA-N -1 0 341.440 3.147 20 30 EGEDRM CC(C)c1csc(C(C#N)=C([O-])c2cncc(N3CCCC3)n2)n1 ZINC000633923593 461331040 /nfs/dbraw/zinc/33/10/40/461331040.db2.gz IWZRJYWRWRDJEX-GFCCVEGCSA-N -1 0 341.440 3.147 20 30 EGEDRM C=CCOc1c(Cl)cc(CN=c2[n-]c(C3CC3)no2)cc1OC ZINC000630953287 461434203 /nfs/dbraw/zinc/43/42/03/461434203.db2.gz XQGAPYDFCKDEJK-UHFFFAOYSA-N -1 0 335.791 3.208 20 30 EGEDRM C=CCCC(C)(C)NS(=O)(=O)c1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000663437268 461641080 /nfs/dbraw/zinc/64/10/80/461641080.db2.gz XINXAMZMNDFUOR-UHFFFAOYSA-N -1 0 339.457 3.072 20 30 EGEDRM COCc1nc(C)c(C([O-])=C(C#N)c2nc(C3CC3)cs2)s1 ZINC000647378679 461668474 /nfs/dbraw/zinc/66/84/74/461668474.db2.gz QKWVDWVOYVYELV-JTQLQIEISA-N -1 0 333.438 3.422 20 30 EGEDRM Cn1cnc(-c2ccc(C([O-])=C(C#N)c3nc(C4CC4)cs3)cc2)n1 ZINC000647378934 461668850 /nfs/dbraw/zinc/66/88/50/461668850.db2.gz NWZFZQWVPVYVQT-CQSZACIVSA-N -1 0 349.419 3.306 20 30 EGEDRM Cn1nc(C([O-])=C(C#N)c2nc(C3CC3)cs2)c2c1CCCC2 ZINC000647380250 461669866 /nfs/dbraw/zinc/66/98/66/461669866.db2.gz WVPSZZUVDCCZAF-LBPRGKRZSA-N -1 0 326.425 3.123 20 30 EGEDRM C=C(C)COc1cccc(NC(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)c1 ZINC000647695316 461806553 /nfs/dbraw/zinc/80/65/53/461806553.db2.gz AWNXTQXABLPSLI-XJKSGUPXSA-N -1 0 332.400 3.216 20 30 EGEDRM Cc1nc2ccnn2cc1C([O-])=C(C#N)c1nc(C(C)C)cs1 ZINC000651662907 462294704 /nfs/dbraw/zinc/29/47/04/462294704.db2.gz VNLHKHPDTLZYKU-NSHDSACASA-N -1 0 325.397 3.108 20 30 EGEDRM C=CCC1(CNC(=O)N=c2[n-]nc([C@H]3CCCO3)s2)CCCC1 ZINC000640729617 462506115 /nfs/dbraw/zinc/50/61/15/462506115.db2.gz XBEVMBJQQZUJKE-GFCCVEGCSA-N -1 0 336.461 3.070 20 30 EGEDRM N#CC(=C([O-])c1cc2cccc(F)c2o1)c1nnc2n1CCCCC2 ZINC000123463294 546740962 /nfs/dbraw/zinc/74/09/62/546740962.db2.gz YGUWFPUHTUZWOK-LBPRGKRZSA-N -1 0 338.342 3.380 20 30 EGEDRM Cc1ccc(-c2ccc(N3C[C@@H](C(=O)[O-])CC3=O)cc2C)c(C#N)c1 ZINC000565239774 548075941 /nfs/dbraw/zinc/07/59/41/548075941.db2.gz ZWUHUKSIUJRMEU-HNNXBMFYSA-N -1 0 334.375 3.280 20 30 EGEDRM C[C@@]1(C#N)CCCN(C(=O)c2ccc(C(=O)c3cccc(O)c3)cc2)C1 ZINC000672952867 548509504 /nfs/dbraw/zinc/50/95/04/548509504.db2.gz YTEQHJCVVNHEQN-NRFANRHFSA-N -1 0 348.402 3.389 20 30 EGEDRM CC(C)(C)n1cc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)nn1 ZINC000682990929 550174211 /nfs/dbraw/zinc/17/42/11/550174211.db2.gz AQCIRZROWAUUHM-SNVBAGLBSA-N -1 0 343.387 3.272 20 30 EGEDRM C=C[C@@H](CC(=O)N[C@@H](C(=O)[O-])c1ccccc1F)c1ccccc1 ZINC000683319660 550217720 /nfs/dbraw/zinc/21/77/20/550217720.db2.gz RHKFABQOIWMMCV-SCLBCKFNSA-N -1 0 327.355 3.428 20 30 EGEDRM COc1cccc([C@H](C)C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000738093562 574716564 /nfs/dbraw/zinc/71/65/64/574716564.db2.gz XFLUAFMULLVADJ-SJCJKPOMSA-N -1 0 339.347 3.039 20 30 EGEDRM COCCOc1cccc(/C=C/C(=O)c2csc(C(=O)[O-])c2)c1 ZINC000730149844 574925547 /nfs/dbraw/zinc/92/55/47/574925547.db2.gz ZQMAPMFMVYXWMU-AATRIKPKSA-N -1 0 332.377 3.368 20 30 EGEDRM CSc1ccc([C@H](CC(=O)[O-])/N=C/c2ccc(O)c(O)c2O)cc1 ZINC000738199685 574929480 /nfs/dbraw/zinc/92/94/80/574929480.db2.gz PUAUALZQBLQEBD-VVSAQIQQSA-N -1 0 347.392 3.160 20 30 EGEDRM COCCOc1ccc(/C=C/C(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC000730464140 574990051 /nfs/dbraw/zinc/99/00/51/574990051.db2.gz IDXGUMPADRIZEZ-QPJJXVBHSA-N -1 0 332.377 3.368 20 30 EGEDRM O=C([O-])C(F)(F)Oc1ccc(/C=C/C(=O)c2cccc(O)c2)cc1 ZINC000730730112 575013367 /nfs/dbraw/zinc/01/33/67/575013367.db2.gz VCBGFBXGCARPFH-RMKNXTFCSA-N -1 0 334.274 3.345 20 30 EGEDRM O=C([O-])CCOc1cccc(/C=C2\COc3ccc(F)cc3C2=O)c1 ZINC000731565160 575080780 /nfs/dbraw/zinc/08/07/80/575080780.db2.gz GUMMBTJCMLQHNW-MDWZMJQESA-N -1 0 342.322 3.338 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2ccc3c(c2)CCC(C)(C)O3)C(=O)O1 ZINC000731563753 575080817 /nfs/dbraw/zinc/08/08/17/575080817.db2.gz TXTSFOSKKHFDJT-WLPBJKJWSA-N -1 0 340.375 3.018 20 30 EGEDRM N#Cc1ccc(OCCCONC(=O)c2c(F)cccc2Cl)cc1 ZINC000732194350 575243398 /nfs/dbraw/zinc/24/33/98/575243398.db2.gz APSWEZYPCPFLOM-UHFFFAOYSA-N -1 0 348.761 3.481 20 30 EGEDRM N#CCCCCOC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000733012040 575299987 /nfs/dbraw/zinc/29/99/87/575299987.db2.gz QKPZETCNYWOFCT-UHFFFAOYSA-N -1 0 349.184 3.141 20 30 EGEDRM CCc1cccc2c1NC(=O)C2=N[N-]c1oc(C(C)(C)C)nc1C#N ZINC000733076379 575305544 /nfs/dbraw/zinc/30/55/44/575305544.db2.gz PGFLLIYJABECKF-UHFFFAOYSA-N -1 0 337.383 3.174 20 30 EGEDRM C#CCN(Cc1ccc(F)cc1)C(=O)c1cccc(NC(=O)[O-])c1 ZINC000736079406 575758703 /nfs/dbraw/zinc/75/87/03/575758703.db2.gz MDFPBTOSPPHJAR-UHFFFAOYSA-N -1 0 326.327 3.191 20 30 EGEDRM C=CCSc1ccccc1NC(=O)CS[C@H](C)CC(=O)[O-] ZINC000736114414 575900724 /nfs/dbraw/zinc/90/07/24/575900724.db2.gz KUHWKOKEOQBLTG-LLVKDONJSA-N -1 0 325.455 3.500 20 30 EGEDRM C=CCOc1ccccc1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000736114253 575900754 /nfs/dbraw/zinc/90/07/54/575900754.db2.gz QKDORVABBIWKOD-UHFFFAOYSA-N -1 0 342.307 3.110 20 30 EGEDRM C=CCOc1ccccc1CNC(=O)c1ccc(NC(=O)[O-])cc1 ZINC000736114492 575900791 /nfs/dbraw/zinc/90/07/91/575900791.db2.gz UCAOSQHHZDSRBS-UHFFFAOYSA-N -1 0 326.352 3.271 20 30 EGEDRM Cc1cccc2c1NC(=O)C2=N[N-]c1nc(C(F)(F)F)cs1 ZINC000755906105 575946011 /nfs/dbraw/zinc/94/60/11/575946011.db2.gz XBSHHQCMPHXDMK-UHFFFAOYSA-N -1 0 326.303 3.239 20 30 EGEDRM C[C@@H](CNC(=O)c1ccccc1Sc1ccccc1C#N)C(=O)[O-] ZINC000736604438 575991143 /nfs/dbraw/zinc/99/11/43/575991143.db2.gz QUSFAQYOOUZAKB-LBPRGKRZSA-N -1 0 340.404 3.160 20 30 EGEDRM C[C@@H]1CCc2c(C#N)c(NC(=O)CCCN(C)C(=O)[O-])sc2C1 ZINC000736803065 576034532 /nfs/dbraw/zinc/03/45/32/576034532.db2.gz SDQPKGWFQQUTHH-SNVBAGLBSA-N -1 0 335.429 3.073 20 30 EGEDRM C#Cc1ccc(C(=O)Nc2sc3c(c2C(=O)[O-])CC[C@@H](C)C3)cn1 ZINC000737495794 576237964 /nfs/dbraw/zinc/23/79/64/576237964.db2.gz JZAPYKRVPKIFOY-SNVBAGLBSA-N -1 0 340.404 3.200 20 30 EGEDRM Cc1ncccc1/C=C1/CN(C(=O)[O-])C/C(=C/c2cccnc2C)C1=O ZINC000738369996 576319155 /nfs/dbraw/zinc/31/91/55/576319155.db2.gz NQYAVHGRIXZJNS-XFQWXJFMSA-N -1 0 349.390 3.123 20 30 EGEDRM Cc1ccc(C)c(N=C2NN=C(c3cc(C(=O)[O-])co3)CS2)c1 ZINC000738574965 576338078 /nfs/dbraw/zinc/33/80/78/576338078.db2.gz RTNNPJVMIZGXMC-UHFFFAOYSA-N -1 0 329.381 3.323 20 30 EGEDRM Cc1cccc(C[C@H](CNc2ncc(C#N)cc2Cl)C(=O)[O-])c1 ZINC000738707172 576353135 /nfs/dbraw/zinc/35/31/35/576353135.db2.gz DLLDGVRIIAJFTR-CQSZACIVSA-N -1 0 329.787 3.271 20 30 EGEDRM Cc1cccc(N(CCC#N)C(=O)CSC[C@H](C)C(=O)[O-])c1C ZINC000738724816 576355631 /nfs/dbraw/zinc/35/56/31/576355631.db2.gz LUOQCJIWZLHPSV-ZDUSSCGKSA-N -1 0 334.441 3.004 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)C[C@@H]2CCc3ccccc32)C(=O)[O-])cc1 ZINC000739110587 576378472 /nfs/dbraw/zinc/37/84/72/576378472.db2.gz RFCNQQGYPGKWEU-LPHOPBHVSA-N -1 0 335.359 3.347 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)c2ccc3ncccc3c2)C(=O)[O-])cc1 ZINC000739114004 576378545 /nfs/dbraw/zinc/37/85/45/576378545.db2.gz FGAMVDNJTBCASS-KRWDZBQOSA-N -1 0 332.315 3.089 20 30 EGEDRM N#Cc1ccc(N2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)c(F)c1 ZINC000739123019 576379052 /nfs/dbraw/zinc/37/90/52/576379052.db2.gz KTQRIBWQSKYMAY-UHFFFAOYSA-N -1 0 335.338 3.440 20 30 EGEDRM N#Cc1nnc2ccccc2c1Nc1ccc(OCCCC(=O)[O-])cc1 ZINC000739144974 576379723 /nfs/dbraw/zinc/37/97/23/576379723.db2.gz FLERDGBLEJKFPH-UHFFFAOYSA-N -1 0 348.362 3.489 20 30 EGEDRM N#Cc1ccccc1CN(CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000739146435 576379767 /nfs/dbraw/zinc/37/97/67/576379767.db2.gz DPBSKORQOHYPRB-UHFFFAOYSA-N -1 0 330.334 3.313 20 30 EGEDRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1 ZINC000739573924 576430881 /nfs/dbraw/zinc/43/08/81/576430881.db2.gz MVSCJYAEDVOPRU-SJORKVTESA-N -1 0 348.402 3.311 20 30 EGEDRM Cc1cc(/C=C/C(=O)c2ccc(C(=O)[O-])s2)ccc1-n1cncn1 ZINC000742431900 576783888 /nfs/dbraw/zinc/78/38/88/576783888.db2.gz OETFQNRAOUKJNX-HWKANZROSA-N -1 0 339.376 3.232 20 30 EGEDRM O=C([O-])CCOc1ccc(/C=C\C(=O)c2ccc3c(c2)COC3)cc1 ZINC000742436000 576784166 /nfs/dbraw/zinc/78/41/66/576784166.db2.gz DBXFRBUEYUBWFB-BAQGIRSFSA-N -1 0 338.359 3.466 20 30 EGEDRM C[C@H](/N=C\c1cc(Cl)cc(Cl)c1[O-])C(=O)NCc1ccco1 ZINC000743537890 576811394 /nfs/dbraw/zinc/81/13/94/576811394.db2.gz CRAWCWZWGUDVAB-OQTYBLBQSA-N -1 0 341.194 3.416 20 30 EGEDRM C[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)C(=O)[O-] ZINC000818034587 597320657 /nfs/dbraw/zinc/32/06/57/597320657.db2.gz QHDWBHZACQKMKW-JTQLQIEISA-N -1 0 343.314 3.084 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)OCc1coc(-c2ccc(Cl)cc2)n1 ZINC000819874534 597614326 /nfs/dbraw/zinc/61/43/26/597614326.db2.gz MBMVWDHNIAROCA-MRXNPFEDSA-N -1 0 348.742 3.043 20 30 EGEDRM O=C([O-])C1CCC(N=Nc2ncnc3sc4c(c32)CCC4)CC1 ZINC000814725928 598095473 /nfs/dbraw/zinc/09/54/73/598095473.db2.gz GOHRTWXLQSIEKM-UHFFFAOYSA-N -1 0 330.413 3.223 20 30 EGEDRM CN(Cc1ccccc1-c1ccccc1)C(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC000820607756 598226261 /nfs/dbraw/zinc/22/62/61/598226261.db2.gz UASZPRURXVHBBU-HXUWFJFHSA-N -1 0 336.391 3.317 20 30 EGEDRM C=CCn1c(SC/C=C(/C)C(=O)[O-])nnc1-c1ccccc1F ZINC000825711055 600724689 /nfs/dbraw/zinc/72/46/89/600724689.db2.gz MVHNHCWZIZBCHO-FLIBITNWSA-N -1 0 333.388 3.393 20 30 EGEDRM N#Cc1ccc(CC(=O)N[C@H](CC(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000833072447 600802287 /nfs/dbraw/zinc/80/22/87/600802287.db2.gz MPLVXADWYJPQAQ-MRXNPFEDSA-N -1 0 342.782 3.086 20 30 EGEDRM Cc1cc(OCc2nnc(-c3ccc(C#N)cc3)o2)c(C(=O)[O-])s1 ZINC000832901105 600804296 /nfs/dbraw/zinc/80/42/96/600804296.db2.gz UUMZZVLBMBKCPX-UHFFFAOYSA-N -1 0 341.348 3.255 20 30 EGEDRM N#Cc1cc(NCCc2ccc(NC(=O)[O-])cc2)c2ccccc2n1 ZINC000833069858 600815905 /nfs/dbraw/zinc/81/59/05/600815905.db2.gz VXUYVCMWKDXUDJ-UHFFFAOYSA-N -1 0 332.363 3.273 20 30 EGEDRM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000826881096 600914869 /nfs/dbraw/zinc/91/48/69/600914869.db2.gz DPLGUKLGHVSSGP-QZTJIDSGSA-N -1 0 342.439 3.434 20 30 EGEDRM N#Cc1ccsc1C(=O)N1C[C@@H](C2CCCCC2)C[C@H]1C(=O)[O-] ZINC000833076320 601084769 /nfs/dbraw/zinc/08/47/69/601084769.db2.gz BTGHHVLSRLXXJD-KBPBESRZSA-N -1 0 332.425 3.115 20 30 EGEDRM C=CCn1c(C)cc(C(=O)CN(C)[C@@H](C(=O)[O-])c2ccccc2)c1C ZINC000825705435 601226100 /nfs/dbraw/zinc/22/61/00/601226100.db2.gz HKNKYWHERPNOHB-LJQANCHMSA-N -1 0 340.423 3.231 20 30 EGEDRM N#Cc1ccc(C(=O)N2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])s1 ZINC000833070419 601287943 /nfs/dbraw/zinc/28/79/43/601287943.db2.gz FORPDNBTPCGPGN-OCCSQVGLSA-N -1 0 332.425 3.115 20 30 EGEDRM N#Cc1cccc([C@@H](NCc2cc3c(s2)CCCC3)C(=O)[O-])c1 ZINC000833075108 601302563 /nfs/dbraw/zinc/30/25/63/601302563.db2.gz HRQRONCVACYUQL-QGZVFWFLSA-N -1 0 326.421 3.414 20 30 EGEDRM Cc1ccccc1[C@H]1CN([C@@H](C(=O)[O-])c2cccc(C#N)c2)CCO1 ZINC000832977880 601320540 /nfs/dbraw/zinc/32/05/40/601320540.db2.gz WHWLMOUBLHDXAM-RTBURBONSA-N -1 0 336.391 3.066 20 30 EGEDRM Cc1ccc(O[C@H](C)C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000832952740 601347485 /nfs/dbraw/zinc/34/74/85/601347485.db2.gz BVKAKZRVMGYDCA-CXAGYDPISA-N -1 0 339.347 3.003 20 30 EGEDRM CC(C)c1nc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cs1 ZINC000827144100 601351660 /nfs/dbraw/zinc/35/16/60/601351660.db2.gz BYWQWOVTIRKBRF-CYBMUJFWSA-N -1 0 330.365 3.121 20 30 EGEDRM N#Cc1cccc([C@H](OC(=O)c2ccc(C(F)F)cc2)C(=O)[O-])c1 ZINC000833077416 601352368 /nfs/dbraw/zinc/35/23/68/601352368.db2.gz RXMBLNLOVNRTCJ-AWEZNQCLSA-N -1 0 331.274 3.479 20 30 EGEDRM N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(C(=O)[O-])cc1 ZINC000821320336 601427495 /nfs/dbraw/zinc/42/74/95/601427495.db2.gz LUHXFXNPEARVQS-QZTJIDSGSA-N -1 0 334.375 3.297 20 30 EGEDRM C=CCCCC(=O)N[C@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC000825671112 601434891 /nfs/dbraw/zinc/43/48/91/601434891.db2.gz CUAWXKSUVPUOQS-CYBMUJFWSA-N -1 0 340.217 3.437 20 30 EGEDRM C=CCCCC(=O)N[C@@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000825671639 601437143 /nfs/dbraw/zinc/43/71/43/601437143.db2.gz YHMZMHMHXGJYPM-ZDUSSCGKSA-N -1 0 340.217 3.437 20 30 EGEDRM Cc1c(C(=O)[O-])c2cc(OC(=O)c3cccc(CC#N)c3)ccc2n1C ZINC000832851432 601450795 /nfs/dbraw/zinc/45/07/95/601450795.db2.gz APVKVEILXHNTQG-UHFFFAOYSA-N -1 0 348.358 3.470 20 30 EGEDRM Cc1cc(C#N)ccc1Oc1ccc(C(=O)O[C@H](C)C(=O)[O-])cc1 ZINC000832859164 601748881 /nfs/dbraw/zinc/74/88/81/601748881.db2.gz LVAYJXRNNAZMKW-GFCCVEGCSA-N -1 0 325.320 3.289 20 30 EGEDRM O=C([O-])c1cc(/C=C\C(=O)c2sccc2Br)c[nH]1 ZINC000833298488 601792429 /nfs/dbraw/zinc/79/24/29/601792429.db2.gz WKMANHSRZIZODU-UPHRSURJSA-N -1 0 326.171 3.433 20 30 EGEDRM C[C@@H]1CN([C@H](C(=O)[O-])c2cccc(C#N)c2)C[C@H](c2ccsc2)O1 ZINC000828411849 601886197 /nfs/dbraw/zinc/88/61/97/601886197.db2.gz KTZGFTSRNUCVEO-JLZZUVOBSA-N -1 0 342.420 3.207 20 30 EGEDRM C[C@@H](Oc1ccc(/C=C\C(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)[O-] ZINC000794690117 602105122 /nfs/dbraw/zinc/10/51/22/602105122.db2.gz ICBOBNBNVLPJAS-MQGYJPLLSA-N -1 0 341.319 3.343 20 30 EGEDRM COc1cccc(C(=O)/C=C\c2ccc(O[C@H](C)C(=O)[O-])cc2)c1 ZINC000794692917 602105714 /nfs/dbraw/zinc/10/57/14/602105714.db2.gz ZGEBVWDSMHTHRE-BIRHUZIMSA-N -1 0 326.348 3.443 20 30 EGEDRM COc1ccc(O)c(C(=O)/C=C/c2ccc(O[C@H](C)C(=O)[O-])cc2)c1 ZINC000794701674 602112194 /nfs/dbraw/zinc/11/21/94/602112194.db2.gz NJZPUYTXIKDQHK-BIPYJSMBSA-N -1 0 342.347 3.149 20 30 EGEDRM C[C@@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)C(=O)[O-] ZINC000737689334 602252719 /nfs/dbraw/zinc/25/27/19/602252719.db2.gz NLKUXPLPVBPXNB-SNVBAGLBSA-N -1 0 344.754 3.207 20 30 EGEDRM CC[C@H](OC1CCCCC1)C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000829009710 602271371 /nfs/dbraw/zinc/27/13/71/602271371.db2.gz MLZDKCHNPUFVTE-DLBZAZTESA-N -1 0 345.395 3.355 20 30 EGEDRM C=C(C)[C@H](CC(=O)N1C[C@@H](C2CCCCC2)C[C@@H]1C(=O)[O-])OCC ZINC000833366849 604560515 /nfs/dbraw/zinc/56/05/15/604560515.db2.gz DRLCKEBOZKSYDC-BBWFWOEESA-N -1 0 337.460 3.240 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)/C=C\SCc2ccco2)C(=O)[O-])cc1 ZINC000833073207 604600907 /nfs/dbraw/zinc/60/09/07/604600907.db2.gz XFYHQAYKEULURY-GQSKFBFOSA-N -1 0 343.360 3.267 20 30 EGEDRM C#CC[C@H](NC(=O)Nc1cccc(OCC(=O)[O-])c1)c1ccccc1 ZINC000833360693 604656064 /nfs/dbraw/zinc/65/60/64/604656064.db2.gz ODENVROSTCOZMO-KRWDZBQOSA-N -1 0 338.363 3.036 20 30 EGEDRM C=CCOc1ccc(CN2CCSC[C@H]2CC(=O)[O-])cc1Cl ZINC000833378146 604657573 /nfs/dbraw/zinc/65/75/73/604657573.db2.gz YUKPBCLUBXSDGS-CYBMUJFWSA-N -1 0 341.860 3.297 20 30 EGEDRM CCCOc1cc(CN=Nc2ccc(C(=O)[O-])cn2)ccc1OC ZINC000763369289 604666596 /nfs/dbraw/zinc/66/65/96/604666596.db2.gz DQVFYYKJVGRQEA-UHFFFAOYSA-N -1 0 329.356 3.023 20 30 EGEDRM CC(N=Nc1ccc(C(=O)[O-])cn1)c1nc2ccc(Cl)cc2n1C ZINC000763369680 604668323 /nfs/dbraw/zinc/66/83/23/604668323.db2.gz WALJCDGYTIXYIF-UHFFFAOYSA-N -1 0 343.774 3.156 20 30 EGEDRM C=C[C@H](CC(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21)c1ccccc1 ZINC000833371673 604679059 /nfs/dbraw/zinc/67/90/59/604679059.db2.gz UUSJTDFYARWVMI-KDOFPFPSSA-N -1 0 337.375 3.225 20 30 EGEDRM CCc1cc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)oc1CC ZINC000830213778 604697575 /nfs/dbraw/zinc/69/75/75/604697575.db2.gz FOVIAQHHMINKBT-INIZCTEOSA-N -1 0 327.336 3.259 20 30 EGEDRM C=CCNc1ncc(C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)s1 ZINC000825692120 604741374 /nfs/dbraw/zinc/74/13/74/604741374.db2.gz IXKXEGLWEMJHLB-CYBMUJFWSA-N -1 0 345.424 3.077 20 30 EGEDRM C=CCn1c(COc2ccccc2)nnc1SC/C=C(\C)C(=O)[O-] ZINC000825711285 604749618 /nfs/dbraw/zinc/74/96/18/604749618.db2.gz XKUABZHEJDTZMC-UKTHLTGXSA-N -1 0 345.424 3.166 20 30 EGEDRM C=C[C@H](CC(=O)Nc1nnc(CCCC(=O)[O-])s1)c1ccccc1 ZINC000833371974 604756407 /nfs/dbraw/zinc/75/64/07/604756407.db2.gz YIURCJVTYYQANI-GFCCVEGCSA-N -1 0 345.424 3.244 20 30 EGEDRM C=CCOc1ccc(C(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC000327357165 604857297 /nfs/dbraw/zinc/85/72/97/604857297.db2.gz HHFSZXMOHKXJEN-KRWDZBQOSA-N -1 0 337.375 3.470 20 30 EGEDRM Cc1cccc2[nH]c([C@@H](C#N)C(=O)c3ccc(C(=O)[O-])c(F)c3)nc21 ZINC000832975599 604886286 /nfs/dbraw/zinc/88/62/86/604886286.db2.gz DSFJYVCBRUZZHX-LBPRGKRZSA-N -1 0 337.310 3.199 20 30 EGEDRM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)NCCCF)c2)c1 ZINC000833137937 604945293 /nfs/dbraw/zinc/94/52/93/604945293.db2.gz SNBLFCHMGJQALE-UHFFFAOYSA-N -1 0 340.354 3.266 20 30 EGEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000825681893 604962933 /nfs/dbraw/zinc/96/29/33/604962933.db2.gz LCXXIJALFOXJPV-UHFFFAOYSA-N -1 0 343.354 3.361 20 30 EGEDRM C#CCCCCC(=O)NC[C@@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000833362692 605013072 /nfs/dbraw/zinc/01/30/72/605013072.db2.gz FSMMRMSTJOYEQF-GOSISDBHSA-N -1 0 337.419 3.393 20 30 EGEDRM C=CCc1ccccc1OS(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC000833379989 605013860 /nfs/dbraw/zinc/01/38/60/605013860.db2.gz SMTNKFQFHRXLEW-UHFFFAOYSA-N -1 0 332.377 3.189 20 30 EGEDRM C[C@@H](C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1c(F)cccc1F ZINC000833408405 605035974 /nfs/dbraw/zinc/03/59/74/605035974.db2.gz YJWGZCOKRWXZIP-QLJPJBMISA-N -1 0 345.301 3.309 20 30 EGEDRM Cc1sc2ncnc(N=NCc3cccn3[C@@H](C)C(=O)[O-])c2c1C ZINC000833759254 605038722 /nfs/dbraw/zinc/03/87/22/605038722.db2.gz YUHRYWVJPXUYFD-JTQLQIEISA-N -1 0 343.412 3.201 20 30 EGEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cc(C)[nH]c1C(=O)[O-] ZINC000833374669 605126774 /nfs/dbraw/zinc/12/67/74/605126774.db2.gz WWXLQPZZHKFQPH-UHFFFAOYSA-N -1 0 343.383 3.250 20 30 EGEDRM C[C@H](CC#N)N(C)C(=O)Nc1sc2c(c1C(=O)[O-])CCCCC2 ZINC000833516072 605131649 /nfs/dbraw/zinc/13/16/49/605131649.db2.gz QTUMJQYQUKXGID-SNVBAGLBSA-N -1 0 335.429 3.481 20 30 EGEDRM C[C@H](Nc1ccc(NC(=O)[O-])c(F)c1)C(=O)Nc1cccc(C#N)c1 ZINC000833525144 605261796 /nfs/dbraw/zinc/26/17/96/605261796.db2.gz MYXUTSAANZFBDY-JTQLQIEISA-N -1 0 342.330 3.226 20 30 EGEDRM C[C@]1(C#N)CCCN([C@H](C(=O)[O-])c2ccccc2C(F)(F)F)C1 ZINC000833550813 605421528 /nfs/dbraw/zinc/42/15/28/605421528.db2.gz DOGWESJTIFZNQJ-DZGCQCFKSA-N -1 0 326.318 3.457 20 30 EGEDRM C[C@@H]1C[C@H](NN=Cc2ccc(-c3ccccc3C(=O)[O-])o2)CCO1 ZINC000833597023 605581554 /nfs/dbraw/zinc/58/15/54/605581554.db2.gz IQOWYCBKRMRMNV-CHWSQXEVSA-N -1 0 328.368 3.136 20 30 EGEDRM CC(C)(C(=O)[O-])[C@@H](NC(=O)N1CCC(C)(C#N)CC1)c1ccccc1 ZINC000833551996 605746114 /nfs/dbraw/zinc/74/61/14/605746114.db2.gz XTXZOXPIOCVHRG-HNNXBMFYSA-N -1 0 343.427 3.174 20 30 EGEDRM C=CCn1c(SCc2cc(C(=O)[O-])ccc2F)nnc1C1CC1 ZINC000833380975 605859356 /nfs/dbraw/zinc/85/93/56/605859356.db2.gz WHGLJJNFSWRVQD-UHFFFAOYSA-N -1 0 333.388 3.471 20 30 EGEDRM COc1ccccc1CCC(=O)[N-]S(=O)(=O)c1ccccc1C ZINC000042242541 1291437147 /nfs/dbraw/zinc/43/71/47/1291437147.db2.gz ZHWPYOYQEWXLNP-UHFFFAOYSA-N -1 0 333.409 3.282 20 30 EGEDRM Cc1cccc(C)c1OCC(=O)[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000042250774 1291438463 /nfs/dbraw/zinc/43/84/63/1291438463.db2.gz XIFXJYTZCHAVDI-UHFFFAOYSA-N -1 0 337.372 3.167 20 30 EGEDRM O=C([N-]S(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1F ZINC000046708857 1291551819 /nfs/dbraw/zinc/55/18/19/1291551819.db2.gz JIVHCEVMTNZTLG-UHFFFAOYSA-N -1 0 331.727 3.312 20 30 EGEDRM O=C([N-]S(=O)(=O)c1ccccc1Br)c1cccs1 ZINC000048519570 1291608665 /nfs/dbraw/zinc/60/86/65/1291608665.db2.gz MKDHJIONEOFQPL-UHFFFAOYSA-N -1 0 346.227 3.204 20 30 EGEDRM CC(C)Cc1ccc(CC(=O)[N-]S(=O)(=O)c2cccnc2)cc1 ZINC000048532221 1291610512 /nfs/dbraw/zinc/61/05/12/1291610512.db2.gz MZQGOTKBWDAAII-UHFFFAOYSA-N -1 0 332.425 3.168 20 30 EGEDRM COc1ccc(CCC(=O)[N-]S(=O)(=O)c2ccccc2F)cc1 ZINC000048587686 1291612106 /nfs/dbraw/zinc/61/21/06/1291612106.db2.gz FLQRBMAMGMSKLR-UHFFFAOYSA-N -1 0 337.372 3.112 20 30 EGEDRM O=C([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccsc1 ZINC000048613868 1291613464 /nfs/dbraw/zinc/61/34/64/1291613464.db2.gz LJYYAVKJNCXNEC-UHFFFAOYSA-N -1 0 335.328 3.460 20 30 EGEDRM O=C(CC[C@@H]1CCCO1)[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000058041567 1291874858 /nfs/dbraw/zinc/87/48/58/1291874858.db2.gz LKZPFACGCYNBCM-HNNXBMFYSA-N -1 0 335.425 3.219 20 30 EGEDRM O=C(COc1ccc(F)c(Cl)c1)[N-]S(=O)(=O)C1CCCCC1 ZINC000058074369 1291876872 /nfs/dbraw/zinc/87/68/72/1291876872.db2.gz IYKUBYLBBHMUKQ-UHFFFAOYSA-N -1 0 349.811 3.477 20 30 EGEDRM O=C(CC(C1CC1)C1CC1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000065041777 1292071228 /nfs/dbraw/zinc/07/12/28/1292071228.db2.gz UYFOIWMUACBFFD-UHFFFAOYSA-N -1 0 338.385 3.066 20 30 EGEDRM CSC[C@H](C)C(=O)[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000067001104 1292138521 /nfs/dbraw/zinc/13/85/21/1292138521.db2.gz WRPMOFPMPROGBX-QMMMGPOBSA-N -1 0 341.376 3.350 20 30 EGEDRM CCO[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000069641974 1292246998 /nfs/dbraw/zinc/24/69/98/1292246998.db2.gz SQSCUTSWKFLOKQ-PHDIDXHHSA-N -1 0 344.241 3.125 20 30 EGEDRM COc1ccc2[nH]cc(CC(=O)[N-]S(=O)(=O)c3ccccc3)c2c1 ZINC000075777279 1292411182 /nfs/dbraw/zinc/41/11/82/1292411182.db2.gz JVOLLZLEGCNTGD-UHFFFAOYSA-N -1 0 344.392 3.064 20 30 EGEDRM C[C@H](CC(=O)c1cccc(F)c1)C(=O)[N-]S(=O)(=O)c1ccccc1 ZINC000076755528 1292440047 /nfs/dbraw/zinc/44/00/47/1292440047.db2.gz QHJNXTKIAUWEEC-GFCCVEGCSA-N -1 0 349.383 3.380 20 30 EGEDRM CCCCS(=O)(=O)[N-]C(=O)C[C@H](C)C(=O)c1cccc(F)c1 ZINC000080276591 1292592397 /nfs/dbraw/zinc/59/23/97/1292592397.db2.gz OURSMBICVCUMKE-NSHDSACASA-N -1 0 329.393 3.121 20 30 EGEDRM O=C(Cc1ccccc1Br)[N-]S(=O)(=O)C1CCCC1 ZINC000086054646 1292727645 /nfs/dbraw/zinc/72/76/45/1292727645.db2.gz VLTCJJNGDNLNFM-UHFFFAOYSA-N -1 0 346.246 3.221 20 30 EGEDRM O=C(C[C@H]1CCCCO1)[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000088799432 1292756014 /nfs/dbraw/zinc/75/60/14/1292756014.db2.gz QJVYHPCQAAYHFQ-OAHLLOKOSA-N -1 0 333.409 3.444 20 30 EGEDRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)c1cccc(-c2ccoc2)c1 ZINC000089964020 1292780968 /nfs/dbraw/zinc/78/09/68/1292780968.db2.gz MZJBZOWGEOIBGF-UHFFFAOYSA-N -1 0 346.364 3.245 20 30 EGEDRM CC(C)Oc1ccc(S(=O)(=O)[N-]C(=O)Cc2cccs2)cc1 ZINC000091127293 1292822889 /nfs/dbraw/zinc/82/28/89/1292822889.db2.gz TULFRNCKEDIUDL-UHFFFAOYSA-N -1 0 339.438 3.423 20 30 EGEDRM N#CC(C(=O)Nc1ccc(Cl)cc1Cl)=C([O-])c1cscn1 ZINC000103330221 1293001577 /nfs/dbraw/zinc/00/15/77/1293001577.db2.gz BIHYBOFLNQPYEE-MRVPVSSYSA-N -1 0 340.191 3.411 20 30 EGEDRM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2cscn2)cc1 ZINC000103330130 1293001694 /nfs/dbraw/zinc/00/16/94/1293001694.db2.gz NOOJLCTTWCPHIQ-CQSZACIVSA-N -1 0 327.409 3.447 20 30 EGEDRM COc1cc(C=NN[C@@H](C)C(F)(F)F)cc(Br)c1O ZINC000834996732 1293184105 /nfs/dbraw/zinc/18/41/05/1293184105.db2.gz VSWYZHTUABNRCU-LURJTMIESA-N -1 0 341.127 3.038 20 30 EGEDRM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1ccsn1 ZINC000835064599 1293197769 /nfs/dbraw/zinc/19/77/69/1293197769.db2.gz XERYTPCWIKZNAQ-ZDUSSCGKSA-N -1 0 327.409 3.229 20 30 EGEDRM CCC[C@@H]1CCC[C@@H]1C(=O)[N-]S(=O)(=O)CC1(C#N)CCCCC1 ZINC000835302285 1293257421 /nfs/dbraw/zinc/25/74/21/1293257421.db2.gz JQFGYCVYTSUGFK-CABCVRRESA-N -1 0 340.489 3.123 20 30 EGEDRM CCCCC[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1)C(C)C ZINC000119777294 1293287280 /nfs/dbraw/zinc/28/72/80/1293287280.db2.gz CDYCZOCIRAQUME-MRXNPFEDSA-N -1 0 336.457 3.216 20 30 EGEDRM O=C(/C=C/c1ccc(O)c(F)c1)c1ccc(N2CCOCC2)cc1 ZINC000120695507 1293334260 /nfs/dbraw/zinc/33/42/60/1293334260.db2.gz MXEGBTLLVAJQRY-LREOWRDNSA-N -1 0 327.355 3.264 20 30 EGEDRM CN(C)c1ccc(C#N)c([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000123995133 1293463093 /nfs/dbraw/zinc/46/30/93/1293463093.db2.gz YHRWODNSHPXZRH-UHFFFAOYSA-N -1 0 335.816 3.078 20 30 EGEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(-c2ccccc2F)o1 ZINC000124547768 1293479056 /nfs/dbraw/zinc/47/90/56/1293479056.db2.gz BRCJKATUYABKME-ZDUSSCGKSA-N -1 0 326.327 3.031 20 30 EGEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000130992432 1293676367 /nfs/dbraw/zinc/67/63/67/1293676367.db2.gz GNNGAGIWVWKZFQ-AWEZNQCLSA-N -1 0 349.774 3.020 20 30 EGEDRM COCCOc1cccc(/C=C/C(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000136498061 1293817158 /nfs/dbraw/zinc/81/71/58/1293817158.db2.gz MMKQJRZUBQORHE-FNORWQNLSA-N -1 0 343.335 3.222 20 30 EGEDRM C=CCNC(=O)C(C#N)=C([O-])c1cnc(-c2ccccc2Cl)s1 ZINC000140329272 1293850020 /nfs/dbraw/zinc/85/00/20/1293850020.db2.gz KAPBPPBJBXTKRF-LLVKDONJSA-N -1 0 345.811 3.088 20 30 EGEDRM Cc1nc(CC(=O)C(C#N)=C([O-])c2c(C)[nH]c3ccccc32)cs1 ZINC000147769699 1293880246 /nfs/dbraw/zinc/88/02/46/1293880246.db2.gz NCRJILIMRXWTPH-CQSZACIVSA-N -1 0 337.404 3.376 20 30 EGEDRM CC(C)NC(=O)C(C#N)=C([O-])c1ccc(Cl)c(C(F)(F)F)c1 ZINC000156516955 1294147221 /nfs/dbraw/zinc/14/72/21/1294147221.db2.gz QMRJTFFAFBVWQP-VIFPVBQESA-N -1 0 332.709 3.206 20 30 EGEDRM COc1ccc(-c2n[nH]cc2C=CC(=O)c2ccc(O)cc2[O-])cc1 ZINC000156633165 1294151950 /nfs/dbraw/zinc/15/19/50/1294151950.db2.gz FMUVHXIGUBIXEC-RUDMXATFSA-N -1 0 336.347 3.393 20 30 EGEDRM CC(=O)N(c1nc(/C=C/C(=O)c2cc(F)ccc2[O-])cs1)C1CC1 ZINC000156675043 1294154530 /nfs/dbraw/zinc/15/45/30/1294154530.db2.gz UQFDEFUPGSCEOY-XVNBXDOJSA-N -1 0 346.383 3.399 20 30 EGEDRM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2ccc(CC#N)cc2)n[nH]1 ZINC000159876404 1294249467 /nfs/dbraw/zinc/24/94/67/1294249467.db2.gz SENKSUNFDLFEHE-LBPRGKRZSA-N -1 0 332.429 3.180 20 30 EGEDRM COc1ccccc1NC(=O)C(C#N)=C([O-])c1csc(C(C)C)n1 ZINC000171146222 1294396030 /nfs/dbraw/zinc/39/60/30/1294396030.db2.gz IVYMOWKJSBRYBZ-LLVKDONJSA-N -1 0 343.408 3.236 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)C(=O)NC2CC2)c(C)n1-c1cc(C)cc(C)c1 ZINC000175110681 1294540867 /nfs/dbraw/zinc/54/08/67/1294540867.db2.gz CMGANSJVDVTLPB-LJQANCHMSA-N -1 0 349.434 3.312 20 30 EGEDRM CCCCC[C@H](C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1)C(C)C ZINC000176718401 1294626213 /nfs/dbraw/zinc/62/62/13/1294626213.db2.gz UNQMHGNCGSXLDZ-INIZCTEOSA-N -1 0 336.457 3.216 20 30 EGEDRM COc1cc(C(=O)Nc2cc(C#N)ccc2[O-])ccc1OC(C)C ZINC000176827121 1294636254 /nfs/dbraw/zinc/63/62/54/1294636254.db2.gz AXSCKADIVWDVNA-UHFFFAOYSA-N -1 0 326.352 3.312 20 30 EGEDRM CCc1c(C(=O)Nc2cc(C#N)ccc2[O-])cnn1-c1ccccc1 ZINC000179740246 1294819683 /nfs/dbraw/zinc/81/96/83/1294819683.db2.gz ZITYSSQOYIYTNF-UHFFFAOYSA-N -1 0 332.363 3.264 20 30 EGEDRM CCOC(=O)C1(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)CC1 ZINC000181015541 1294930171 /nfs/dbraw/zinc/93/01/71/1294930171.db2.gz KGMIUTVXHPVPGD-SNVBAGLBSA-N -1 0 348.811 3.469 20 30 EGEDRM C[C@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000183136328 1295101359 /nfs/dbraw/zinc/10/13/59/1295101359.db2.gz MQFDDTLUHLQFDN-SNVBAGLBSA-N -1 0 338.335 3.056 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2O[C@@H](C)C#N)cc1C ZINC000183136891 1295101707 /nfs/dbraw/zinc/10/17/07/1295101707.db2.gz DZXNWRAKBRSSCD-AWEZNQCLSA-N -1 0 330.409 3.395 20 30 EGEDRM CN1C(=O)CCc2cc(C(=O)/C=C\c3cc(F)c([O-])c(F)c3)ccc21 ZINC000255029039 1296489969 /nfs/dbraw/zinc/48/99/69/1296489969.db2.gz GQLPHCFWPNTMDM-KXFIGUGUSA-N -1 0 343.329 3.476 20 30 EGEDRM CCN(C(C)=O)c1nc(/C=C\C(=O)c2ccc(C)cc2[O-])cs1 ZINC000255060154 1296493691 /nfs/dbraw/zinc/49/36/91/1296493691.db2.gz WQPCDBDSBMBFGG-VURMDHGXSA-N -1 0 330.409 3.426 20 30 EGEDRM O=C(C/N=C\c1cc([N+](=O)[O-])ccc1[O-])OCc1ccccc1Cl ZINC000255165471 1296505811 /nfs/dbraw/zinc/50/58/11/1296505811.db2.gz OTDRCYXMTFWOSI-LSCVHKIXSA-N -1 0 348.742 3.116 20 30 EGEDRM C=CCC[C@H](NC(=O)CCc1nc(C)c(-c2ccccc2)o1)C(=O)[O-] ZINC000262875903 1296649773 /nfs/dbraw/zinc/64/97/73/1296649773.db2.gz KCDFPQKCLSKGQU-HNNXBMFYSA-N -1 0 342.395 3.118 20 30 EGEDRM C=CCC[C@@H](NC(=O)c1ccccc1SC(F)(F)F)C(=O)[O-] ZINC000316335053 1297142616 /nfs/dbraw/zinc/14/26/16/1297142616.db2.gz LYRYYDFOWUVWOL-SNVBAGLBSA-N -1 0 333.331 3.448 20 30 EGEDRM CCn1nccc1/C=C\C(=O)c1cc(Br)cc(F)c1[O-] ZINC000588425585 1298064931 /nfs/dbraw/zinc/06/49/31/1298064931.db2.gz PWLNQBPPSCENOO-ARJAWSKDSA-N -1 0 339.164 3.406 20 30 EGEDRM CCN(CC)c1ccc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)cc1F ZINC000588611144 1298092636 /nfs/dbraw/zinc/09/26/36/1298092636.db2.gz VRYPYQAOTLBDJJ-XFXZXTDPSA-N -1 0 340.402 3.496 20 30 EGEDRM CCn1cc(/C=C\C(=O)c2cc(C(=O)[O-])ccc2OC(C)C)cn1 ZINC000876498228 1298794658 /nfs/dbraw/zinc/79/46/58/1298794658.db2.gz RXASZWRGQTURCS-ALCCZGGFSA-N -1 0 328.368 3.285 20 30 EGEDRM C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1cc(C)cc(F)c1 ZINC000747616098 1298811213 /nfs/dbraw/zinc/81/12/13/1298811213.db2.gz IDOMQVUNNFEZLS-UHFFFAOYSA-N -1 0 337.347 3.086 20 30 EGEDRM Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C\c1ccc3c(c1)CCN3C)CC2 ZINC000751523294 1299561886 /nfs/dbraw/zinc/56/18/86/1299561886.db2.gz NDQNHKIGOKWQPK-UVTDQMKNSA-N -1 0 337.375 3.491 20 30 EGEDRM CC[C@@H](C)c1ccc(C([O-])=C(C#N)C(=O)NCCCOC(C)C)cc1 ZINC000756222512 1300454435 /nfs/dbraw/zinc/45/44/35/1300454435.db2.gz BLIPLLKXEQZTJJ-QAPCUYQASA-N -1 0 344.455 3.454 20 30 EGEDRM COc1ccccc1CC(C)N=Nc1ccc(C(=O)[O-])cc1OC ZINC000756905572 1300587830 /nfs/dbraw/zinc/58/78/30/1300587830.db2.gz DJQYQXGNHVSESS-UHFFFAOYSA-N -1 0 328.368 3.433 20 30 EGEDRM COc1cc2c(cc1/C=C/C(=O)c1ccc(O)cc1[O-])O[C@@H](C)C2 ZINC000757472576 1300674864 /nfs/dbraw/zinc/67/48/64/1300674864.db2.gz OWUJPCJHXBAIHS-GQOHGMTASA-N -1 0 326.348 3.326 20 30 EGEDRM COC(=O)c1cccc(C/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])c1 ZINC000757526785 1300680260 /nfs/dbraw/zinc/68/02/60/1300680260.db2.gz MUEYOOGGCZBFLQ-GIJQJNRQSA-N -1 0 348.742 3.360 20 30 EGEDRM CC(C)c1nc(C#N)c(N=NC(C)c2cc([N+](=O)[O-])ccc2[O-])o1 ZINC000758115454 1300787992 /nfs/dbraw/zinc/78/79/92/1300787992.db2.gz DNGCNFQHMXPPKU-UHFFFAOYSA-N -1 0 329.316 3.120 20 30 EGEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)CC(C)(C)C ZINC000759237654 1301048414 /nfs/dbraw/zinc/04/84/14/1301048414.db2.gz KOZJQDSXWRHITO-GFCCVEGCSA-N -1 0 332.400 3.136 20 30 EGEDRM COc1cc(F)ccc1NN=Cc1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000761885096 1301561111 /nfs/dbraw/zinc/56/11/11/1301561111.db2.gz PLCKTDVEQLPUOU-LLVKDONJSA-N -1 0 332.331 3.132 20 30 EGEDRM COc1cc(C(C)=NNc2ccc([N+](=O)[O-])cc2)cc([N+](=O)[O-])c1[O-] ZINC000764641183 1302107384 /nfs/dbraw/zinc/10/73/84/1302107384.db2.gz ONKRUKOXKAFQHN-UHFFFAOYSA-N -1 0 346.299 3.053 20 30 EGEDRM Cc1nc2scc(C3CC3)n2c1C=NNc1cnnc([O-])c1Cl ZINC000764669322 1302114011 /nfs/dbraw/zinc/11/40/11/1302114011.db2.gz LRDHVEPEFULSAO-UHFFFAOYSA-N -1 0 348.819 3.177 20 30 EGEDRM CC(N=Nc1cccnn1)c1cc(Br)cc(Cl)c1[O-] ZINC000764690748 1302119175 /nfs/dbraw/zinc/11/91/75/1302119175.db2.gz VIJGGRUAHXBXRQ-UHFFFAOYSA-N -1 0 341.596 3.434 20 30 EGEDRM C=CCN(CC(=O)[N-]OCc1ccccc1)Cc1ccccc1F ZINC000765493244 1302272867 /nfs/dbraw/zinc/27/28/67/1302272867.db2.gz VDTZLFKSLORTML-UHFFFAOYSA-N -1 0 328.387 3.062 20 30 EGEDRM CCc1nc2ccccc2n1N=Cc1[nH]nc2cc(C(=O)[O-])ccc12 ZINC000765571623 1302284124 /nfs/dbraw/zinc/28/41/24/1302284124.db2.gz GWKLQKZFUSGENV-UHFFFAOYSA-N -1 0 333.351 3.055 20 30 EGEDRM O=C([O-])c1ccc(C(=O)/C=C\c2cncc(Br)c2)s1 ZINC000767356784 1302650517 /nfs/dbraw/zinc/65/05/17/1302650517.db2.gz BYFOHPDJNQHAFE-UPHRSURJSA-N -1 0 338.182 3.500 20 30 EGEDRM CC(C)OCCCNC(=O)C(C#N)=C([O-])c1cccc2ccsc21 ZINC000767958836 1302794011 /nfs/dbraw/zinc/79/40/11/1302794011.db2.gz GOZUHDKBAXAKNV-HNNXBMFYSA-N -1 0 344.436 3.155 20 30 EGEDRM COc1cc(C=NN2CCc3ccccc3C2=O)cc(Cl)c1O ZINC000769593958 1303144826 /nfs/dbraw/zinc/14/48/26/1303144826.db2.gz IMNGHKDHNQTEFU-UHFFFAOYSA-N -1 0 330.771 3.087 20 30 EGEDRM CC(C)NC(=O)C(C#N)=C([O-])c1cccn1[C@@H](C)Cc1ccccc1 ZINC000773767315 1303737085 /nfs/dbraw/zinc/73/70/85/1303737085.db2.gz BDIYKSSXIWDFHJ-RDJZCZTQSA-N -1 0 337.423 3.139 20 30 EGEDRM C=CCS(=O)(=O)[N-]C(=O)C1(c2c(Cl)cccc2Cl)CCC1 ZINC000774155766 1303780998 /nfs/dbraw/zinc/78/09/98/1303780998.db2.gz JPPWIWDECDCFMT-UHFFFAOYSA-N -1 0 348.251 3.047 20 30 EGEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1ccc(C(C)=O)o1)c1ccccc1 ZINC000774259455 1303791709 /nfs/dbraw/zinc/79/17/09/1303791709.db2.gz JCOVZMBRBCVLIO-HUUCEWRRSA-N -1 0 338.363 3.072 20 30 EGEDRM C#CCOc1ccccc1[N-]S(=O)(=O)c1ccc2ncccc2c1 ZINC000775298320 1303936282 /nfs/dbraw/zinc/93/62/82/1303936282.db2.gz PYFNRTMKDYVGET-UHFFFAOYSA-N -1 0 338.388 3.048 20 30 EGEDRM C[C@H]1CCN(Cc2ccccc2)CC1=NNc1cnnc([O-])c1Cl ZINC000776186077 1304107976 /nfs/dbraw/zinc/10/79/76/1304107976.db2.gz QESMPHPABALSDC-LBPRGKRZSA-N -1 0 345.834 3.146 20 30 EGEDRM COC[C@@H](C)NN=C(C)c1cc(Br)cc(Cl)c1[O-] ZINC000777893835 1304362689 /nfs/dbraw/zinc/36/26/89/1304362689.db2.gz VXQMTFXJRQQTOZ-SSDOTTSWSA-N -1 0 335.629 3.157 20 30 EGEDRM O=C([O-])c1cc(/C=C2/CCOc3ccc(F)cc3C2=O)ccc1O ZINC000779357668 1304560588 /nfs/dbraw/zinc/56/05/88/1304560588.db2.gz BOTKIANWCZGXQR-XFFZJAGNSA-N -1 0 328.295 3.278 20 30 EGEDRM Cn1nc(Br)cc1/C=C\C(=O)c1ccc([O-])c(Cl)c1 ZINC000782352469 1304959641 /nfs/dbraw/zinc/95/96/41/1304959641.db2.gz SQVOVKXJYNRQHY-HYXAFXHYSA-N -1 0 341.592 3.438 20 30 EGEDRM Cc1cc(COC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)ccc1C#N ZINC000782547872 1304988517 /nfs/dbraw/zinc/98/85/17/1304988517.db2.gz FRZFVPLBRCMEKQ-UHFFFAOYSA-N -1 0 349.390 3.132 20 30 EGEDRM C=CCCN(OCc1ccccc1)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000783873315 1305156286 /nfs/dbraw/zinc/15/62/86/1305156286.db2.gz SMFGSLBGYXETFO-UHFFFAOYSA-N -1 0 342.351 3.451 20 30 EGEDRM C=C[C@@H](CC(=O)[N-]S(=O)(=O)Cc1cccc(F)c1)c1ccccc1 ZINC000785256884 1305329027 /nfs/dbraw/zinc/32/90/27/1305329027.db2.gz UJEBQSPMYQBLDT-HNNXBMFYSA-N -1 0 347.411 3.132 20 30 EGEDRM CCOc1cccc(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)c1 ZINC000786548953 1305595473 /nfs/dbraw/zinc/59/54/73/1305595473.db2.gz OTTCYCKEDVWNEZ-GOSISDBHSA-N -1 0 336.391 3.033 20 30 EGEDRM C=CC[C@@H](C(=O)[N-]S(=O)(=O)c1ccccc1CC)c1ccccc1 ZINC000786643517 1305613608 /nfs/dbraw/zinc/61/36/08/1305613608.db2.gz OCJZMQRJRWGALK-QGZVFWFLSA-N -1 0 343.448 3.414 20 30 EGEDRM O=C([O-])[C@H]1CCC(=NNC(=S)NC2CCCCC2)c2ccccc21 ZINC000788952474 1306049473 /nfs/dbraw/zinc/04/94/73/1306049473.db2.gz VUWDQTBHZJEYDP-HNNXBMFYSA-N -1 0 345.468 3.150 20 30 EGEDRM COc1cc(C=NNc2ccc3c(cc[nH]c3=O)c2)cc(Cl)c1O ZINC000789073165 1306083576 /nfs/dbraw/zinc/08/35/76/1306083576.db2.gz FSTZJSOEZWMBEL-UHFFFAOYSA-N -1 0 343.770 3.342 20 30 EGEDRM C=CCCCC(=O)[N-]S(=O)(=O)c1cc(C(C)C)c(OC)cc1C ZINC000789524815 1306177849 /nfs/dbraw/zinc/17/78/49/1306177849.db2.gz YJXYTFBYHRFANL-UHFFFAOYSA-N -1 0 339.457 3.288 20 30 EGEDRM CCOc1cncc(/C=C2\CCc3oc(C(=O)[O-])c(C)c3C2=O)c1 ZINC000857202933 1328524654 /nfs/dbraw/zinc/52/46/54/1328524654.db2.gz VYILZRJCZWPRQA-WUXMJOGZSA-N -1 0 327.336 3.292 20 30 EGEDRM CC[C@@H](NN=C(Cc1ccccn1)c1ccc(Cl)cc1F)C(=O)[O-] ZINC000793073918 1309290602 /nfs/dbraw/zinc/29/06/02/1309290602.db2.gz XRKZVDRIZUSUMQ-OAHLLOKOSA-N -1 0 349.793 3.274 20 30 EGEDRM CC(N=Nc1ccc(C(=O)[O-])cc1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000794446713 1309528242 /nfs/dbraw/zinc/52/82/42/1309528242.db2.gz CQWYVFJEZCSTLY-UHFFFAOYSA-N -1 0 333.388 3.040 20 30 EGEDRM C=CCN1C(=O)/C(=C\c2cc(C(=O)[O-])c(C)cc2C)SC1=S ZINC000794927121 1309622614 /nfs/dbraw/zinc/62/26/14/1309622614.db2.gz OXKMDNYLTHPVAX-MDWZMJQESA-N -1 0 333.434 3.389 20 30 EGEDRM COc1ccccc1-n1nccc1/C=C/C(=O)c1ccc(O)cc1[O-] ZINC000797406567 1310185362 /nfs/dbraw/zinc/18/53/62/1310185362.db2.gz UWZYBAVHRGMPRF-RMKNXTFCSA-N -1 0 336.347 3.188 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)Nc1ccc(OCCC)c(Cl)c1 ZINC000797736374 1310240258 /nfs/dbraw/zinc/24/02/58/1310240258.db2.gz QJZDDARFZINYCN-UHFFFAOYSA-N -1 0 326.780 3.233 20 30 EGEDRM O=C(/C=C\c1ccc([N+](=O)[O-])c([O-])c1)c1ccnn1-c1ccccc1 ZINC000798371263 1310348863 /nfs/dbraw/zinc/34/88/63/1310348863.db2.gz LFYRORFNZWIJQV-CLFYSBASSA-N -1 0 335.319 3.382 20 30 EGEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1ccc(C)c(C#N)c1)c1ccccc1 ZINC000799626984 1310590376 /nfs/dbraw/zinc/59/03/76/1310590376.db2.gz MEBLPJYYMHCAIU-RTBURBONSA-N -1 0 345.402 3.457 20 30 EGEDRM CC[C@@](O)(C(=O)Nc1cc(C#N)ccc1[O-])c1cccc(Cl)c1 ZINC000800525250 1310778375 /nfs/dbraw/zinc/77/83/75/1310778375.db2.gz UCENMZIDEMFDBV-KRWDZBQOSA-N -1 0 330.771 3.154 20 30 EGEDRM COC(=O)c1c(F)cccc1NN=C(C)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000800818887 1310811824 /nfs/dbraw/zinc/81/18/24/1310811824.db2.gz URWJFMWUFONWCR-UHFFFAOYSA-N -1 0 347.302 3.062 20 30 EGEDRM C#CCOc1cccc([N-]S(=O)(=O)c2cnc3ccccc3c2)c1 ZINC000800835910 1310816239 /nfs/dbraw/zinc/81/62/39/1310816239.db2.gz IBQCYCVRVRRKGT-UHFFFAOYSA-N -1 0 338.388 3.048 20 30 EGEDRM CC(C)(C#N)CCCOC(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000801379340 1310920861 /nfs/dbraw/zinc/92/08/61/1310920861.db2.gz YINUHGDTMCWUFZ-UHFFFAOYSA-N -1 0 331.347 3.204 20 30 EGEDRM Cc1cccc(Oc2ccc(C([O-])=C(C#N)C(=O)NC(C)C)nc2)c1 ZINC000838787154 1320816403 /nfs/dbraw/zinc/81/64/03/1320816403.db2.gz HFXIIOIWYBHNFR-MRXNPFEDSA-N -1 0 337.379 3.029 20 30 EGEDRM COCCOc1cccc(/C=C/C(=O)c2cccc(C(=O)[O-])c2)c1 ZINC000806559043 1317500602 /nfs/dbraw/zinc/50/06/02/1317500602.db2.gz SOTUTJYNFPOLLU-CMDGGOBGSA-N -1 0 326.348 3.306 20 30 EGEDRM COc1cc(/C=C\C(=O)c2cccc(C(=O)[O-])c2)cc(OC)c1OC ZINC000806558825 1317501049 /nfs/dbraw/zinc/50/10/49/1317501049.db2.gz MYARGSCZUBRQCZ-FPLPWBNLSA-N -1 0 342.347 3.307 20 30 EGEDRM COc1ccc(C(=O)/C=C\c2cn(-c3ccccc3C)nn2)c([O-])c1 ZINC000806573883 1317504066 /nfs/dbraw/zinc/50/40/66/1317504066.db2.gz VIDYHSCJUBOCBZ-YFHOEESVSA-N -1 0 335.363 3.186 20 30 EGEDRM C=C(Cl)CNCc1cc(C)cc(Br)c1OCC(=O)[O-] ZINC000902272718 1317557247 /nfs/dbraw/zinc/55/72/47/1317557247.db2.gz HTYAAUSQGFEUQD-UHFFFAOYSA-N -1 0 348.624 3.063 20 30 EGEDRM Cc1cc([N+](=O)[O-])ccc1NN=Cc1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000807990261 1317608241 /nfs/dbraw/zinc/60/82/41/1317608241.db2.gz WPMVLCDQNRAQLF-GFCCVEGCSA-N -1 0 343.339 3.201 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)C[C@@H](CC)c2ccc(C)cc2)CC1 ZINC000810985974 1318086283 /nfs/dbraw/zinc/08/62/83/1318086283.db2.gz WBYYRSRCXYLMSY-OAHLLOKOSA-N -1 0 335.469 3.433 20 30 EGEDRM C#CC[C@@H](NC(=O)Nc1cccc(CSC2CCCC2)c1)C(=O)[O-] ZINC000908625270 1318374583 /nfs/dbraw/zinc/37/45/83/1318374583.db2.gz GKZJVFGVMLWTLH-MRXNPFEDSA-N -1 0 346.452 3.460 20 30 EGEDRM COc1ccc(-c2n[nH]cc2C=NNc2ccc(C(=O)[O-])cc2)cc1 ZINC000812369900 1318378469 /nfs/dbraw/zinc/37/84/69/1318378469.db2.gz SFJUKUPRPRAANX-UHFFFAOYSA-N -1 0 336.351 3.230 20 30 EGEDRM C[C@H]1CCCN(c2cc(C(=O)Nc3cc(C#N)ccc3[O-])ccn2)C1 ZINC000812525805 1318405973 /nfs/dbraw/zinc/40/59/73/1318405973.db2.gz NHGCPWQUVCBFPM-ZDUSSCGKSA-N -1 0 336.395 3.147 20 30 EGEDRM C=CCOc1ccc(C(=O)N2CCC[C@@]2(CCC)C(=O)[O-])cc1OC ZINC000910116923 1318571463 /nfs/dbraw/zinc/57/14/63/1318571463.db2.gz BTBBGWOSAJDMSU-IBGZPJMESA-N -1 0 347.411 3.120 20 30 EGEDRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1ccc(C)c(C#N)c1 ZINC000814016898 1318663144 /nfs/dbraw/zinc/66/31/44/1318663144.db2.gz TWUPIWNPHZDTNB-KRWDZBQOSA-N -1 0 342.420 3.078 20 30 EGEDRM C=CCC(C)(C)C(=O)N1CCN(c2ccc(C(=O)[O-])cc2)C[C@@H]1C ZINC000911319412 1318736875 /nfs/dbraw/zinc/73/68/75/1318736875.db2.gz WJQQJWZTQQBYRS-AWEZNQCLSA-N -1 0 330.428 3.024 20 30 EGEDRM CCOc1ccc(NC(=S)NN=C2CC[C@H](C(=O)[O-])C[C@@H]2C)cc1 ZINC000814717857 1318804269 /nfs/dbraw/zinc/80/42/69/1318804269.db2.gz VFNURRSVCOTBGR-RYUDHWBXSA-N -1 0 349.456 3.249 20 30 EGEDRM CC(C)CCNC(=S)NN=C1CC[C@@H](C(=O)[O-])C(C)(C)[C@@H]1C ZINC000814758752 1318810256 /nfs/dbraw/zinc/81/02/56/1318810256.db2.gz GUJOQRATXUQBEY-NEPJUHHUSA-N -1 0 327.494 3.010 20 30 EGEDRM C[C@@H]1C(=NNc2cnnc([O-])c2Cl)CCCN1Cc1ccccc1 ZINC000814782201 1318814816 /nfs/dbraw/zinc/81/48/16/1318814816.db2.gz GUGKHVJIFSTIMN-GFCCVEGCSA-N -1 0 345.834 3.288 20 30 EGEDRM CCCCNN=C(C)c1cc(Br)ccc1OCC(=O)[O-] ZINC000814805206 1318821630 /nfs/dbraw/zinc/82/16/30/1318821630.db2.gz BQKWYMHNTKBVLM-UHFFFAOYSA-N -1 0 343.221 3.026 20 30 EGEDRM O=C([O-])C1(c2ccccc2)CC(=NNCc2cccc3cccnc32)C1 ZINC000814803838 1318822011 /nfs/dbraw/zinc/82/20/11/1318822011.db2.gz NORIGCMDSCEKED-UHFFFAOYSA-N -1 0 345.402 3.497 20 30 EGEDRM Cc1nc(C#N)c(N=NC2CC(C(=O)[O-])(c3cccc(Cl)c3)C2)o1 ZINC000814813250 1318822822 /nfs/dbraw/zinc/82/28/22/1318822822.db2.gz XAMRDYKQAXUMFY-UHFFFAOYSA-N -1 0 344.758 3.092 20 30 EGEDRM Cc1ccc(F)c(NC(=S)NN=C2CC[C@@H](C(=O)[O-])[C@H](C)C2)c1 ZINC000814820050 1318823944 /nfs/dbraw/zinc/82/39/44/1318823944.db2.gz RKQJJJAUNLFELW-ZYHUDNBSSA-N -1 0 337.420 3.297 20 30 EGEDRM CC(=NNc1ccnc2ccccc21)c1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000814841230 1318829454 /nfs/dbraw/zinc/82/94/54/1318829454.db2.gz HQHQBSOMDTYUGH-AWEZNQCLSA-N -1 0 349.390 3.345 20 30 EGEDRM COc1ccc(NN=Cc2cccc(C(=O)[O-])c2Cl)c([N+](=O)[O-])c1 ZINC000814882580 1318838548 /nfs/dbraw/zinc/83/85/48/1318838548.db2.gz LQAJURLSTVNKDM-UHFFFAOYSA-N -1 0 349.730 3.401 20 30 EGEDRM CC(CCc1ccc(O[C@H](C)C(=O)[O-])cc1)N=Nc1ccnc(F)c1 ZINC000814902172 1318844760 /nfs/dbraw/zinc/84/47/60/1318844760.db2.gz HLUXOTWIWMZFGG-CYBMUJFWSA-N -1 0 345.374 3.493 20 30 EGEDRM COc1ccc(N=NC(C)c2cccc(OCCCC(=O)[O-])c2)nc1 ZINC000814909658 1318846250 /nfs/dbraw/zinc/84/62/50/1318846250.db2.gz OLZMCYGRVJNOLD-UHFFFAOYSA-N -1 0 343.383 3.170 20 30 EGEDRM CC(=NOC[C@H]1CCOC1)c1oc2cc(C)ccc2c1CC(=O)[O-] ZINC000814912202 1318846734 /nfs/dbraw/zinc/84/67/34/1318846734.db2.gz LXSPMNHYNYAHMP-ZDUSSCGKSA-N -1 0 331.368 3.145 20 30 EGEDRM CC(=NOC[C@@H]1CCOC1)c1oc2cc(C)ccc2c1CC(=O)[O-] ZINC000814912201 1318847101 /nfs/dbraw/zinc/84/71/01/1318847101.db2.gz LXSPMNHYNYAHMP-CYBMUJFWSA-N -1 0 331.368 3.145 20 30 EGEDRM CC(N=Nc1nnc(-c2ccccn2)s1)c1csc(C(=O)[O-])c1 ZINC000814911126 1318847124 /nfs/dbraw/zinc/84/71/24/1318847124.db2.gz UALIFPFOYUIGQW-UHFFFAOYSA-N -1 0 345.409 3.196 20 30 EGEDRM O=C([O-])CNN=Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000814957200 1318860106 /nfs/dbraw/zinc/86/01/06/1318860106.db2.gz WHVHREVBQRMUNM-UHFFFAOYSA-N -1 0 349.730 3.049 20 30 EGEDRM CC(C)(C(=O)Nc1cc(C#N)ccc1[O-])c1ccccc1[N+](=O)[O-] ZINC000815877916 1319066207 /nfs/dbraw/zinc/06/62/07/1319066207.db2.gz LPTODMLEXAGBMQ-UHFFFAOYSA-N -1 0 325.324 3.088 20 30 EGEDRM CC(C)[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1ccc(C#N)s1 ZINC000816110194 1319102972 /nfs/dbraw/zinc/10/29/72/1319102972.db2.gz VFEKDDGLPNVVAN-HNNXBMFYSA-N -1 0 348.449 3.077 20 30 EGEDRM Cc1ccc(NC(=S)NN=Cc2cc([N+](=O)[O-])ccc2[O-])cc1C ZINC000915919235 1319560244 /nfs/dbraw/zinc/56/02/44/1319560244.db2.gz MYJBXXOQTKYOJN-UHFFFAOYSA-N -1 0 344.396 3.238 20 30 EGEDRM CCCNN=Cc1cc(Br)c([O-])c(Br)c1 ZINC000915965493 1319571966 /nfs/dbraw/zinc/57/19/66/1319571966.db2.gz KFUFZVKJKMYHLC-UHFFFAOYSA-N -1 0 336.027 3.251 20 30 EGEDRM CCC(=NNc1nnc(C)c(=O)[n-]1)c1ccc(Cl)cc1Cl ZINC000916279547 1319630973 /nfs/dbraw/zinc/63/09/73/1319630973.db2.gz BGZAHZUTLNQNJI-UHFFFAOYSA-N -1 0 326.187 3.419 20 30 EGEDRM CCc1c2cc(C)ccc2oc1C(C)=NNc1nnc(C)c(=O)[n-]1 ZINC000916282404 1319631412 /nfs/dbraw/zinc/63/14/12/1319631412.db2.gz DFAIJENYAGQTLH-UHFFFAOYSA-N -1 0 325.372 3.339 20 30 EGEDRM CC(C)OCCCNC(=O)C(C#N)=C([O-])c1ccc(C(C)(C)C)cc1 ZINC000916870887 1319717877 /nfs/dbraw/zinc/71/78/77/1319717877.db2.gz NMMWSVUXJHGWRC-QGZVFWFLSA-N -1 0 344.455 3.238 20 30 EGEDRM COc1ccc(C(=O)/C=C\c2ccc3oncc3c2)cc1CC(=O)[O-] ZINC000821032271 1319995367 /nfs/dbraw/zinc/99/53/67/1319995367.db2.gz RSIRYBLACFDMCJ-DJWKRKHSSA-N -1 0 337.331 3.360 20 30 EGEDRM C=CCC[C@H](NC(=O)/C=C\c1ccccc1OC(F)(F)F)C(=O)[O-] ZINC000823368936 1320172501 /nfs/dbraw/zinc/17/25/01/1320172501.db2.gz DZWVUHSVLWLGQP-PRDAAYKISA-N -1 0 343.301 3.134 20 30 EGEDRM CCCCCCCS(=O)(=O)N[C@H](CC(=O)[O-])c1ccccc1 ZINC000841775604 1321311402 /nfs/dbraw/zinc/31/14/02/1321311402.db2.gz UORAODDIQPYPMU-OAHLLOKOSA-N -1 0 327.446 3.092 20 30 EGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)C[C@@H](C)c1cnn(C)c1 ZINC000842281348 1321367259 /nfs/dbraw/zinc/36/72/59/1321367259.db2.gz IEXKNPDVZWLXOW-WBMJQRKESA-N -1 0 348.406 3.295 20 30 EGEDRM CO[C@H](CC(C)C)C(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21 ZINC000842280377 1321367711 /nfs/dbraw/zinc/36/77/11/1321367711.db2.gz CEECLQNZWBBCIV-GDBMZVCRSA-N -1 0 326.396 3.429 20 30 EGEDRM CCOC(=O)[C@@H]1CCC(N=Nc2cccc(C(=O)[O-])c2C)[C@@H](C)C1 ZINC000844622952 1321626476 /nfs/dbraw/zinc/62/64/76/1321626476.db2.gz GGCHCMXREQZCGD-WCQYABFASA-N -1 0 332.400 3.460 20 30 EGEDRM Cc1c(N=NC2CCN(CC(F)(F)F)CC2)cccc1C(=O)[O-] ZINC000844623806 1321626481 /nfs/dbraw/zinc/62/64/81/1321626481.db2.gz MFGMSBALBQGDKG-UHFFFAOYSA-N -1 0 329.322 3.119 20 30 EGEDRM C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccc2nc(C(C)(C)C)sc2c1 ZINC000846155685 1321772835 /nfs/dbraw/zinc/77/28/35/1321772835.db2.gz VCMBLAPFWIPDON-SNVBAGLBSA-N -1 0 347.440 3.155 20 30 EGEDRM Cc1ncc(CO)c(/C=N/Cc2cccc(Br)c2C)c1O ZINC000846756716 1321804961 /nfs/dbraw/zinc/80/49/61/1321804961.db2.gz KWFNYRNCLYBDFS-QGMBQPNBSA-N -1 0 349.228 3.278 20 30 EGEDRM C[C@@H](C/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-])C(=O)OC(C)(C)C ZINC000846757245 1321805027 /nfs/dbraw/zinc/80/50/27/1321805027.db2.gz WEFLUSBBSURGAJ-NRMZQKLJSA-N -1 0 342.779 3.351 20 30 EGEDRM Cc1noc(C2CCC(N=Nc3ccc(CC(=O)[O-])cc3)CC2)n1 ZINC000848414189 1321957537 /nfs/dbraw/zinc/95/75/37/1321957537.db2.gz KSWFGHZEDTVOEL-UHFFFAOYSA-N -1 0 328.372 3.131 20 30 EGEDRM O=C([O-])Cc1ccc(N=NCC[C@H]2CCCCC23OCCO3)cc1 ZINC000848415139 1321958352 /nfs/dbraw/zinc/95/83/52/1321958352.db2.gz XHPHPBMWTANHIQ-OAHLLOKOSA-N -1 0 332.400 3.035 20 30 EGEDRM CC1(C)CC(=NNc2ccc(CC(=O)[O-])cc2)c2ccc(O)cc2O1 ZINC000848415098 1321958405 /nfs/dbraw/zinc/95/84/05/1321958405.db2.gz VZYHVEJDBYGYGA-UHFFFAOYSA-N -1 0 340.379 3.397 20 30 EGEDRM CCOC(=O)[C@@H]1CCC(N=Nc2ccc(CC(=O)[O-])cc2)C[C@@H]1C ZINC000848415968 1321958654 /nfs/dbraw/zinc/95/86/54/1321958654.db2.gz URVROGGDVUCGHS-BLLLJJGKSA-N -1 0 332.400 3.081 20 30 EGEDRM CCCCCCCC[C@@H](C)C(=O)[N-]S(=O)(=O)CC(C)(C)C#N ZINC000850930211 1322311964 /nfs/dbraw/zinc/31/19/64/1322311964.db2.gz RUXKDSRSQZZTGU-CQSZACIVSA-N -1 0 330.494 3.369 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@H]2CCC[C@H]2Cc2ccccc2)CC1 ZINC000851031301 1322325885 /nfs/dbraw/zinc/32/58/85/1322325885.db2.gz BBUDXERNCCEQES-IRXDYDNUSA-N -1 0 347.480 3.200 20 30 EGEDRM C=CCCO[N-]C(=O)CSCc1ccc(Br)cc1 ZINC000856028312 1325439387 /nfs/dbraw/zinc/43/93/87/1325439387.db2.gz GIYYJLTZAZRIFC-UHFFFAOYSA-N -1 0 330.247 3.306 20 30 EGEDRM CC(=CC(=O)OCC([O-])=C(C#N)c1nc(C)cs1)c1cccs1 ZINC000856984847 1325551634 /nfs/dbraw/zinc/55/16/34/1325551634.db2.gz ZDUAABJBXQYHRJ-JXPAYYINSA-N -1 0 346.433 3.336 20 30 EGEDRM Cc1c(C(=O)/C=C\c2ccc(CC(=O)[O-])cc2)cnn1C(C)(C)C ZINC000863188954 1329533070 /nfs/dbraw/zinc/53/30/70/1329533070.db2.gz TWXZJWCKNWAIRC-KTKRTIGZSA-N -1 0 326.396 3.470 20 30 EGEDRM O=C(/C=C/c1cn(C[C@@H]2CCCO2)nn1)c1ccc2ccccc2c1[O-] ZINC000865221411 1329677156 /nfs/dbraw/zinc/67/71/56/1329677156.db2.gz YAWQTLRJNQSKSM-DZZUKKPASA-N -1 0 349.390 3.212 20 30 EGEDRM Cc1cc(C#N)c([N-]S(=O)(=O)c2ccc(-c3cnco3)cc2)s1 ZINC001185185860 1387639755 /nfs/dbraw/zinc/63/97/55/1387639755.db2.gz ISGPPWUEXKKVEX-UHFFFAOYSA-N -1 0 345.405 3.384 20 30 EGEDRM N#CC1(NC(=O)C=C([O-])c2ccccc2Cl)Cc2ccccc2C1 ZINC001185443566 1387717744 /nfs/dbraw/zinc/71/77/44/1387717744.db2.gz AUZALWSGKUVHEX-UHFFFAOYSA-N -1 0 338.794 3.090 20 30 EGEDRM CCC(C)(C)c1ccc(Oc2[n-]c(=O)n(C)c(=O)c2C#N)c(Cl)c1 ZINC001185694006 1387780561 /nfs/dbraw/zinc/78/05/61/1387780561.db2.gz VLIGJDHWCNIKGF-UHFFFAOYSA-N -1 0 347.802 3.079 20 30 EGEDRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2c(C)cccc2C#N)c1 ZINC001189610642 1367068155 /nfs/dbraw/zinc/06/81/55/1367068155.db2.gz KDPBMRMVBQDTLS-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM N#Cc1cc([N-]S(=O)(=O)c2cc(F)cc(F)c2F)cc(F)c1F ZINC001190392405 1367250856 /nfs/dbraw/zinc/25/08/56/1367250856.db2.gz SRCQYNWPWLTUCP-UHFFFAOYSA-N -1 0 348.252 3.055 20 30 EGEDRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2cnccc2C#N)cc1 ZINC001190424402 1367261904 /nfs/dbraw/zinc/26/19/04/1367261904.db2.gz ZRJFPNWVAAQBRE-UHFFFAOYSA-N -1 0 329.425 3.442 20 30 EGEDRM CCOc1cc(F)c(C(=O)Nc2cc(C#N)c(F)cc2[O-])c(F)c1 ZINC001190607345 1367306988 /nfs/dbraw/zinc/30/69/88/1367306988.db2.gz RUUOCYMZQZBBHI-UHFFFAOYSA-N -1 0 336.269 3.332 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]c2nc(-c3ccccn3)ccc2OC)CC1 ZINC001190766147 1367345053 /nfs/dbraw/zinc/34/50/53/1367345053.db2.gz NAWNVDJTPWOSHT-UHFFFAOYSA-N -1 0 345.424 3.003 20 30 EGEDRM N#Cc1cc(NC(=O)c2cncc(C(F)(F)F)c2)c([O-])cc1F ZINC001190936307 1367386948 /nfs/dbraw/zinc/38/69/48/1367386948.db2.gz TZDQCBUVVZNXHB-UHFFFAOYSA-N -1 0 325.221 3.069 20 30 EGEDRM Cc1cc(O)cc(C)c1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC001190973199 1367392168 /nfs/dbraw/zinc/39/21/68/1367392168.db2.gz XFVVTKJWTUZTHV-UHFFFAOYSA-N -1 0 336.800 3.335 20 30 EGEDRM C=CCN1C(=O)CC[C@]12CCCN(C(=O)c1cccc([S-])c1)CC2 ZINC001186141460 1387878135 /nfs/dbraw/zinc/87/81/35/1387878135.db2.gz VQPNBCFRVDWXIN-IBGZPJMESA-N -1 0 344.480 3.149 20 30 EGEDRM C#Cc1cc([N-]S(=O)(=O)c2cc(C)ccc2OCC)ccc1F ZINC001191821333 1367602247 /nfs/dbraw/zinc/60/22/47/1367602247.db2.gz KENFJWDEUBEVLM-UHFFFAOYSA-N -1 0 333.384 3.315 20 30 EGEDRM NC(=NC(=O)c1cc(F)c([O-])cc1F)c1ccc2cc(O)ccc2c1 ZINC001192877508 1367894112 /nfs/dbraw/zinc/89/41/12/1367894112.db2.gz RHSFRTQDIPYTAY-UHFFFAOYSA-N -1 0 342.301 3.075 20 30 EGEDRM CSc1cc(C)nc(SC)c1[N-]C(=O)c1cnccc1C#N ZINC001192962454 1367912307 /nfs/dbraw/zinc/91/23/07/1367912307.db2.gz BDIGGOHKVNHOMU-UHFFFAOYSA-N -1 0 330.438 3.353 20 30 EGEDRM N#CCN(Cc1ccccc1)C(=O)c1cc(Cl)nc(Cl)c1[O-] ZINC001193089279 1367942008 /nfs/dbraw/zinc/94/20/08/1367942008.db2.gz BLGVCZSWFXSOAE-UHFFFAOYSA-N -1 0 336.178 3.260 20 30 EGEDRM CC(C)Oc1cc([N-]S(=O)(=O)[C@@H](C)C#N)cc(C(F)(F)F)c1 ZINC001193157116 1367955957 /nfs/dbraw/zinc/95/59/57/1367955957.db2.gz ATNXWJRCCFOISH-VIFPVBQESA-N -1 0 336.335 3.146 20 30 EGEDRM C#Cc1ccc([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2Cl)cc1 ZINC001193354170 1368007907 /nfs/dbraw/zinc/00/79/07/1368007907.db2.gz NWPUOVDQCXOMOR-UHFFFAOYSA-N -1 0 348.811 3.081 20 30 EGEDRM N#Cc1c(F)cc(Br)cc1[N-]S(=O)(=O)CC1CCC1 ZINC001193523569 1368052887 /nfs/dbraw/zinc/05/28/87/1368052887.db2.gz HUURMMREDQPVRW-UHFFFAOYSA-N -1 0 347.209 3.002 20 30 EGEDRM Cc1cnn(-c2ccc(C)cc2)c1NC(=O)c1cccc(C#N)c1[O-] ZINC001193642792 1368081232 /nfs/dbraw/zinc/08/12/32/1368081232.db2.gz PYAZTPMSDYOMDY-UHFFFAOYSA-N -1 0 332.363 3.319 20 30 EGEDRM N#Cc1cccc(C(=O)N[C@@H](c2ccccc2)c2ccncc2)c1[O-] ZINC001193658063 1368086762 /nfs/dbraw/zinc/08/67/62/1368086762.db2.gz RIOSKWNFWYNZEG-SFHVURJKSA-N -1 0 329.359 3.178 20 30 EGEDRM CCCCCCCOC(=O)N1CCC(NC(=O)C(F)(F)F)CC1 ZINC001194004795 1368165816 /nfs/dbraw/zinc/16/58/16/1368165816.db2.gz AQESKDJPDJIUEI-UHFFFAOYSA-N -1 0 338.370 3.236 20 30 EGEDRM CSc1cc(C)nc(SC)c1[N-]C(=O)c1cncc(C#N)c1 ZINC001194102116 1368183918 /nfs/dbraw/zinc/18/39/18/1368183918.db2.gz COKHFNWLHZCGMA-UHFFFAOYSA-N -1 0 330.438 3.353 20 30 EGEDRM Cc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)c1C#N ZINC001194295893 1368225222 /nfs/dbraw/zinc/22/52/22/1368225222.db2.gz YTPCASDKWMVNEX-UHFFFAOYSA-N -1 0 341.314 3.081 20 30 EGEDRM Cc1ccc([N-]S(=O)(=O)c2ncccc2C(F)(F)F)c(C#N)c1 ZINC001194561405 1368286950 /nfs/dbraw/zinc/28/69/50/1368286950.db2.gz BFXQWOSHPFYHJP-UHFFFAOYSA-N -1 0 341.314 3.081 20 30 EGEDRM Cc1cc([N-]S(=O)(=O)c2ncccc2C(F)(F)F)ccc1C#N ZINC001194572706 1368289594 /nfs/dbraw/zinc/28/95/94/1368289594.db2.gz WLEWYKJJOPNUPJ-UHFFFAOYSA-N -1 0 341.314 3.081 20 30 EGEDRM CC(=O)C1(c2ccccc2)CCN(C(=O)c2ccc(C#N)cc2[O-])CC1 ZINC001195741223 1368480802 /nfs/dbraw/zinc/48/08/02/1368480802.db2.gz JEWBYOGNBZKQOJ-UHFFFAOYSA-N -1 0 348.402 3.027 20 30 EGEDRM Cc1nsc([N-]S(=O)(=O)c2csc3ccccc32)c1C#N ZINC001186442056 1387942501 /nfs/dbraw/zinc/94/25/01/1387942501.db2.gz SWHBKZYAYJYOID-UHFFFAOYSA-N -1 0 335.435 3.339 20 30 EGEDRM N#Cc1c(Cl)c(Cl)ccc1[N-]S(=O)(=O)c1ccc(O)cc1 ZINC001195806682 1368494228 /nfs/dbraw/zinc/49/42/28/1368494228.db2.gz LHVAWJDVSSGUQB-UHFFFAOYSA-N -1 0 343.191 3.371 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2C#N)c(F)c1 ZINC001196387072 1368604605 /nfs/dbraw/zinc/60/46/05/1368604605.db2.gz JWMJYCCQFYJOFV-UHFFFAOYSA-N -1 0 326.299 3.085 20 30 EGEDRM CC(=O)Nc1ccc(NC(=O)c2cc(Cl)c(F)cc2[O-])cc1C#N ZINC001196467181 1368622231 /nfs/dbraw/zinc/62/22/31/1368622231.db2.gz MVPRPLCTJAYBOQ-UHFFFAOYSA-N -1 0 347.733 3.267 20 30 EGEDRM Cc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)c(C#N)c1 ZINC001196680076 1368661146 /nfs/dbraw/zinc/66/11/46/1368661146.db2.gz WSCXLPVEXGNONR-UHFFFAOYSA-N -1 0 331.784 3.193 20 30 EGEDRM COc1ccc(F)c(S(=O)(=O)[N-]c2cc(Cl)cc(C#N)c2)c1 ZINC001196762591 1368678750 /nfs/dbraw/zinc/67/87/50/1368678750.db2.gz ASWJSDFYYBOEBU-UHFFFAOYSA-N -1 0 340.763 3.160 20 30 EGEDRM N#Cc1cc(F)c(F)cc1NC(=S)Nc1ccc(C(=O)[O-])cc1 ZINC001197114624 1368747640 /nfs/dbraw/zinc/74/76/40/1368747640.db2.gz FWERLVWRZCHUDW-UHFFFAOYSA-N -1 0 333.319 3.344 20 30 EGEDRM CCCCCCCC(=O)c1ccc([O-])c(C(=O)Nc2cnnn2C)c1 ZINC001197364899 1368799193 /nfs/dbraw/zinc/79/91/93/1368799193.db2.gz FJDCFOCYHCYHDP-UHFFFAOYSA-N -1 0 344.415 3.316 20 30 EGEDRM N#Cc1c2ccccc2sc1[N-]S(=O)(=O)Cc1cccnc1 ZINC001197421742 1368810119 /nfs/dbraw/zinc/81/01/19/1368810119.db2.gz HLNVOVJKLZKBLG-UHFFFAOYSA-N -1 0 329.406 3.110 20 30 EGEDRM Cc1noc([N-]S(=O)(=O)Cc2cc(Cl)ccc2Cl)c1C#N ZINC001197494411 1368826164 /nfs/dbraw/zinc/82/61/64/1368826164.db2.gz GILUNFXOBAJVNE-UHFFFAOYSA-N -1 0 346.195 3.103 20 30 EGEDRM Cc1ccnc(S(=O)(=O)[N-]c2sc3ccccc3c2C#N)c1 ZINC001197964393 1368933560 /nfs/dbraw/zinc/93/35/60/1368933560.db2.gz DQZNQCQCKFJOMU-UHFFFAOYSA-N -1 0 329.406 3.277 20 30 EGEDRM Cc1cccc(S(=O)(=O)[N-]c2ccc3nc(C#N)sc3c2)c1F ZINC001200799407 1369430882 /nfs/dbraw/zinc/43/08/82/1369430882.db2.gz RGQPCNGMLUEJNE-UHFFFAOYSA-N -1 0 347.396 3.416 20 30 EGEDRM COc1ccc(NC(=S)Nc2cc(C#N)c(F)cc2[O-])c(OC)c1 ZINC001200980890 1369461753 /nfs/dbraw/zinc/46/17/53/1369461753.db2.gz YNJLVGSAIPSNJH-UHFFFAOYSA-N -1 0 347.371 3.229 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2nc3cc(Cl)ccc3o2)cc1C#N ZINC001201287961 1369511253 /nfs/dbraw/zinc/51/12/53/1369511253.db2.gz PYIJUCAOTCQOSX-UHFFFAOYSA-N -1 0 347.783 3.462 20 30 EGEDRM C=CC[C@H](NC(=O)NCC(C)(C)Cc1cccc(Cl)c1)C(=O)[O-] ZINC001116888213 1370995418 /nfs/dbraw/zinc/99/54/18/1370995418.db2.gz WSIXISJSAFZDJB-AWEZNQCLSA-N -1 0 338.835 3.237 20 30 EGEDRM C=CC[C@@H](NC(=O)NCc1cccc(-c2cccc(C)c2)c1)C(=O)[O-] ZINC001116899167 1370997547 /nfs/dbraw/zinc/99/75/47/1370997547.db2.gz DMOLCBWBIFLLNV-GOSISDBHSA-N -1 0 338.407 3.491 20 30 EGEDRM C=CC[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC001116922562 1371001315 /nfs/dbraw/zinc/00/13/15/1371001315.db2.gz UXKIGNJYNKPGAA-WZRBSPASSA-N -1 0 328.195 3.242 20 30 EGEDRM C=CC[C@@H](NC(=O)CCc1cccc(OC2CCCC2)c1)C(=O)[O-] ZINC001116921812 1371001337 /nfs/dbraw/zinc/00/13/37/1371001337.db2.gz JBGXQMYVZXQJHD-QGZVFWFLSA-N -1 0 331.412 3.086 20 30 EGEDRM N#CCc1ccc(S(=O)(=O)Nc2cc(Cl)c([O-])cc2F)cc1 ZINC001117532333 1371051024 /nfs/dbraw/zinc/05/10/24/1371051024.db2.gz CFASLZIRXLCUEK-UHFFFAOYSA-N -1 0 340.763 3.052 20 30 EGEDRM CCOc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Cl)cn1 ZINC001122415558 1372244852 /nfs/dbraw/zinc/24/48/52/1372244852.db2.gz WSPYRKNEVSRAGD-GFCCVEGCSA-N -1 0 343.770 3.095 20 30 EGEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1cc(-c2ccccc2)ccn1 ZINC001122471933 1372254671 /nfs/dbraw/zinc/25/46/71/1372254671.db2.gz RVDNJBMDSYJKFY-KRWDZBQOSA-N -1 0 333.391 3.130 20 30 EGEDRM CC1(C)CC(=O)C=C(Nc2cc(S(=O)(=O)[O-])ccc2Cl)C1 ZINC001210156577 1372283895 /nfs/dbraw/zinc/28/38/95/1372283895.db2.gz YHSQNLIQDRCPHL-UHFFFAOYSA-N -1 0 329.805 3.272 20 30 EGEDRM C[C@@H]1CC(=O)C=C(Nc2ccc3ccc(S(=O)(=O)[O-])cc3c2)C1 ZINC001210772310 1372424166 /nfs/dbraw/zinc/42/41/66/1372424166.db2.gz ADSPBQRRIJCKAQ-NSHDSACASA-N -1 0 331.393 3.381 20 30 EGEDRM N#Cc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC001187961617 1388198856 /nfs/dbraw/zinc/19/88/56/1388198856.db2.gz XHSWZGZFNDWISA-UHFFFAOYSA-N -1 0 328.180 3.061 20 30 EGEDRM Cc1cc(C)c(Nc2ccccc2OCC#N)c(S(=O)(=O)[O-])c1 ZINC001212601866 1372735605 /nfs/dbraw/zinc/73/56/05/1372735605.db2.gz UKDDYCKSYZFEOP-UHFFFAOYSA-N -1 0 332.381 3.196 20 30 EGEDRM N#Cc1cc(Nc2ccc3ccc(S(=O)(=O)[O-])cc3c2)ccc1N ZINC001213439082 1372906952 /nfs/dbraw/zinc/90/69/52/1372906952.db2.gz OTEBHFGXPXJVOB-UHFFFAOYSA-N -1 0 339.376 3.284 20 30 EGEDRM COc1cc(Nc2cnc(C#N)c(C(F)(F)F)c2)cc(C(=O)[O-])c1 ZINC001213586644 1372929912 /nfs/dbraw/zinc/92/99/12/1372929912.db2.gz GRGHJLMGXBHTRC-UHFFFAOYSA-N -1 0 337.257 3.422 20 30 EGEDRM N#Cc1c(Br)cccc1Nc1cc(C(=O)[O-])cnc1F ZINC001215129779 1373174983 /nfs/dbraw/zinc/17/49/83/1373174983.db2.gz CPHAYXLONSZYAW-UHFFFAOYSA-N -1 0 336.120 3.297 20 30 EGEDRM N#Cc1cc(Nc2cc(C(=O)[O-])cnc2F)ccc1Br ZINC001215129769 1373175239 /nfs/dbraw/zinc/17/52/39/1373175239.db2.gz CCXBDFYYEYMRHF-UHFFFAOYSA-N -1 0 336.120 3.297 20 30 EGEDRM N#Cc1nc(Cl)c([N-]c2c(Cl)ccnc2Cl)nc1C#N ZINC001216301175 1373296929 /nfs/dbraw/zinc/29/69/29/1373296929.db2.gz FYOQLCWLFRWVJC-UHFFFAOYSA-N -1 0 325.546 3.319 20 30 EGEDRM COc1ncc(Cl)cc1-c1noc(-c2ccc([O-])c(C#N)c2)n1 ZINC001216969734 1373373368 /nfs/dbraw/zinc/37/33/68/1373373368.db2.gz OUVJCWAFOFFYIM-UHFFFAOYSA-N -1 0 328.715 3.038 20 30 EGEDRM COc1cc(F)c(F)cc1-c1noc(-c2ccc([O-])c(C#N)c2)n1 ZINC001216969864 1373373487 /nfs/dbraw/zinc/37/34/87/1373373487.db2.gz SNQYSVPFDJXPIQ-UHFFFAOYSA-N -1 0 329.262 3.268 20 30 EGEDRM CN(C)/C=N/c1ccc(-c2c(F)cc(C(=O)[O-])cc2F)cc1C#N ZINC001222413075 1373841246 /nfs/dbraw/zinc/84/12/46/1373841246.db2.gz VWFMAPNCOQKCDD-ZVBGSRNCSA-N -1 0 329.306 3.423 20 30 EGEDRM C=CCOCC(COCC=C)Oc1c(F)c(F)c([O-])c(F)c1F ZINC001225878446 1375167937 /nfs/dbraw/zinc/16/79/37/1375167937.db2.gz CARKWRRPCRXXAA-UHFFFAOYSA-N -1 0 336.281 3.101 20 30 EGEDRM C=C[C@@]1(C)CC[C@H](Oc2n[n-]c(=O)cc2Br)C(C)(C)O1 ZINC001226849740 1375345486 /nfs/dbraw/zinc/34/54/86/1375345486.db2.gz QAWBLUBOGGVWNG-HZMBPMFUSA-N -1 0 343.221 3.226 20 30 EGEDRM CC[C@@H](C#Cc1ccccc1)Oc1nc(SC)[n-]c(=O)c1[N+](=O)[O-] ZINC001227627920 1375456435 /nfs/dbraw/zinc/45/64/35/1375456435.db2.gz JZKMZPYNNLGLFG-LBPRGKRZSA-N -1 0 345.380 3.021 20 30 EGEDRM C[C@@H]1CN(C(=O)OC(C)(C)C)CCC[C@H]1Oc1[n-]c(=O)ccc1C#N ZINC001228898821 1375709115 /nfs/dbraw/zinc/70/91/15/1375709115.db2.gz MINHCVOFHGRCQI-TZMCWYRMSA-N -1 0 347.415 3.073 20 30 EGEDRM C=CC[C@H](CCCC)Oc1nc[n-]c(=O)c1I ZINC001228933748 1375720249 /nfs/dbraw/zinc/72/02/49/1375720249.db2.gz RHKCNIPTQXCOFX-SECBINFHSA-N -1 0 348.184 3.301 20 30 EGEDRM C[Si](C)(C)C#C[C@H](Oc1[nH]c(=O)[n-]c(=O)c1F)c1ccccc1 ZINC001229120443 1375768256 /nfs/dbraw/zinc/76/82/56/1375768256.db2.gz SPBVCANALIVGOV-LBPRGKRZSA-N -1 0 332.407 3.028 20 30 EGEDRM COC(=O)c1ccc2c(c1)nc(=O)[n-]c2O[C@@H](CC#N)c1ccccc1 ZINC001230205321 1375967133 /nfs/dbraw/zinc/96/71/33/1375967133.db2.gz RGCNFDVZUVNSMH-INIZCTEOSA-N -1 0 349.346 3.156 20 30 EGEDRM C=C[C@@H](CC(=O)OC(C)(C)C)Oc1[n-]c(=O)nc2cc(F)ccc21 ZINC001230881636 1376176262 /nfs/dbraw/zinc/17/62/62/1376176262.db2.gz ACTBAUKCIDXQPE-NSHDSACASA-N -1 0 334.347 3.140 20 30 EGEDRM N#CC[C@@H]1CCCN(Cc2cc(F)c([O-])c(Br)c2)C1 ZINC001232633278 1376493699 /nfs/dbraw/zinc/49/36/99/1376493699.db2.gz IOCQJLFCMJJKMJ-JTQLQIEISA-N -1 0 327.197 3.419 20 30 EGEDRM N#Cc1c(F)cccc1[N-]S(=O)(=O)CCc1ccc(Cl)cc1 ZINC001189100439 1388457932 /nfs/dbraw/zinc/45/79/32/1388457932.db2.gz DLIWWDLICXHARZ-UHFFFAOYSA-N -1 0 338.791 3.335 20 30 EGEDRM C#C[C@@H](COc1cccc(Cl)c1)Oc1[n-]c(=O)cc(C)c1C#N ZINC001233919444 1376737138 /nfs/dbraw/zinc/73/71/38/1376737138.db2.gz QVEXHJHNRYBYPZ-ZDUSSCGKSA-N -1 0 328.755 3.080 20 30 EGEDRM C#C[C@H](Oc1cc(O)cc([O-])c1C(=O)c1cccc(O)c1)C(C)C ZINC001234162851 1376781229 /nfs/dbraw/zinc/78/12/29/1376781229.db2.gz RRBXNMKTBYMJFC-INIZCTEOSA-N -1 0 326.348 3.071 20 30 EGEDRM N#Cc1ccc(F)c(-c2noc(-c3cccc(CCC(=O)[O-])c3)n2)c1 ZINC001249270714 1377073781 /nfs/dbraw/zinc/07/37/81/1377073781.db2.gz NOWDYFSXHSZULY-UHFFFAOYSA-N -1 0 337.310 3.432 20 30 EGEDRM N#Cc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)ccc1O ZINC001258880868 1377120904 /nfs/dbraw/zinc/12/09/04/1377120904.db2.gz QQLUOPNYNMINNU-UHFFFAOYSA-N -1 0 343.191 3.371 20 30 EGEDRM N#Cc1c(F)c(Cl)ccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC001259091640 1377121210 /nfs/dbraw/zinc/12/12/10/1377121210.db2.gz OOURPPNCZUGYND-UHFFFAOYSA-N -1 0 346.717 3.430 20 30 EGEDRM Cc1ccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)c2ncccc12 ZINC001263306507 1377134321 /nfs/dbraw/zinc/13/43/21/1377134321.db2.gz ZTQFPOZIERLBGS-KRWDZBQOSA-N -1 0 335.407 3.315 20 30 EGEDRM N#Cc1cc(C(=O)Nc2cc([O-])c(F)cc2F)cnc1C(F)(F)F ZINC001298975603 1383448680 /nfs/dbraw/zinc/44/86/80/1383448680.db2.gz XPZHQRRNHXAIRU-UHFFFAOYSA-N -1 0 343.211 3.208 20 30 EGEDRM CC(C)(C)c1noc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c1C#N ZINC001174503370 1385114615 /nfs/dbraw/zinc/11/46/15/1385114615.db2.gz MCPAXMGZYKAIOT-UHFFFAOYSA-N -1 0 330.300 3.194 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1Nc1cc(Br)cnc1C#N ZINC001174671067 1385132217 /nfs/dbraw/zinc/13/22/17/1385132217.db2.gz QYNDEFRMWMBMPD-UHFFFAOYSA-N -1 0 348.156 3.166 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1Nc1nc(C(F)(F)F)ccc1C#N ZINC001174673534 1385132590 /nfs/dbraw/zinc/13/25/90/1385132590.db2.gz HZUQBNPVFYSWIQ-UHFFFAOYSA-N -1 0 337.257 3.422 20 30 EGEDRM N#Cc1ccc(C(=O)[O-])nc1/C=C\c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001317823509 1385514508 /nfs/dbraw/zinc/51/45/08/1385514508.db2.gz MQUWWZPPUQHQSE-DJWKRKHSSA-N -1 0 329.699 3.383 20 30 EGEDRM CC(C)C[C@H](C)n1nccc1[N-]S(=O)(=O)c1ccc(CC#N)cc1 ZINC001318968835 1385902137 /nfs/dbraw/zinc/90/21/37/1385902137.db2.gz OAZQVPPARADURM-AWEZNQCLSA-N -1 0 346.456 3.357 20 30 EGEDRM N#Cc1cccc(NC(=O)N[C@H](Cc2ccccc2Cl)C(=O)[O-])c1 ZINC001320950640 1386767310 /nfs/dbraw/zinc/76/73/10/1386767310.db2.gz YMDPGXYCCNMHLQ-OAHLLOKOSA-N -1 0 343.770 3.029 20 30 EGEDRM C=CC[C@H](NC(=O)c1ccc(COc2ccc(C)cc2C)o1)C(=O)[O-] ZINC001322602574 1387212185 /nfs/dbraw/zinc/21/21/85/1387212185.db2.gz WQROCHXHOATGLY-HNNXBMFYSA-N -1 0 343.379 3.235 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cc2ccccc2n1CC ZINC001342521780 1390621822 /nfs/dbraw/zinc/62/18/22/1390621822.db2.gz SUBBFOPVOXFACN-HNNXBMFYSA-N -1 0 325.412 3.290 20 30 EGEDRM Cc1cc(C)c(C([O-])=C(C#N)C(=O)N2CCCC2)cc1Br ZINC001342611189 1390632319 /nfs/dbraw/zinc/63/23/19/1390632319.db2.gz JTVHKYWLUGTDML-ZDUSSCGKSA-N -1 0 349.228 3.011 20 30 EGEDRM C=C(C)Cn1c(-c2c[n-]n(CC)c2=O)nnc1N1CCCCCCC1 ZINC001343788320 1390736976 /nfs/dbraw/zinc/73/69/76/1390736976.db2.gz XWCJIMWBOKEZQG-UHFFFAOYSA-N -1 0 344.463 3.214 20 30 EGEDRM CNC(=O)Nc1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cc1 ZINC001344965775 1390828104 /nfs/dbraw/zinc/82/81/04/1390828104.db2.gz MLZVEGIVTICXTO-CYBMUJFWSA-N -1 0 340.408 3.262 20 30 EGEDRM CCn1ccnc1C(C#N)=C([O-])[C@@H](C(=O)OC(C)(C)C)C1CCCC1 ZINC001345647262 1390871992 /nfs/dbraw/zinc/87/19/92/1390871992.db2.gz UMZYWBKIHOTXGK-GJZGRUSLSA-N -1 0 345.443 3.227 20 30 EGEDRM CCc1nc(C)c(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)s1 ZINC001347092498 1391000013 /nfs/dbraw/zinc/00/00/13/1391000013.db2.gz OFEMTRVLMKMOGH-NSHDSACASA-N -1 0 337.408 3.029 20 30 EGEDRM O=C(C=Cc1ccc2ncccc2c1)c1ccc(-c2nn[n-]n2)s1 ZINC000826400996 1428228732 /nfs/dbraw/zinc/22/87/32/1428228732.db2.gz MTKAIFANJYFPAD-GQCTYLIASA-N -1 0 333.376 3.373 20 30 EGEDRM O=C(C=Cc1ccn(-c2ccccc2)n1)c1ccc(-c2nn[n-]n2)s1 ZINC000826403090 1428366634 /nfs/dbraw/zinc/36/66/34/1428366634.db2.gz JPYUZHQXJDTNFM-SREVYHEPSA-N -1 0 348.391 3.010 20 30 EGEDRM C#CCOc1ccc(F)cc1N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000823856134 1428913408 /nfs/dbraw/zinc/91/34/08/1428913408.db2.gz KHDWSCHWLYMLBO-GFCCVEGCSA-N -1 0 337.358 3.191 20 30 EGEDRM COCc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000826164422 1428991992 /nfs/dbraw/zinc/99/19/92/1428991992.db2.gz YXGGESWQJQROML-RMKNXTFCSA-N -1 0 338.342 3.048 20 30 EGEDRM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC[C@H]2CCC[C@H](C)C2)o1 ZINC000824280817 1429138412 /nfs/dbraw/zinc/13/84/12/1429138412.db2.gz VLEMLTQVJVLGBY-RYUDHWBXSA-N -1 0 331.424 3.277 20 30 EGEDRM Fc1cc(C=NNc2cccc(-c3nn[n-]n3)c2)c2ncccc2c1 ZINC000822748309 1429194580 /nfs/dbraw/zinc/19/45/80/1429194580.db2.gz SSVLZHDABJXHIL-UHFFFAOYSA-N -1 0 333.330 3.000 20 30 EGEDRM N#Cc1cnc(Oc2ccc(-c3nnn[n-]3)cc2Cl)c(Cl)c1 ZINC000737728011 1429378686 /nfs/dbraw/zinc/37/86/86/1429378686.db2.gz HFJHUDOECUVWEJ-UHFFFAOYSA-N -1 0 333.138 3.232 20 30 EGEDRM COc1ccc2c(c1)C(=O)C(=Cc1ccccc1-c1nn[n-]n1)CC2 ZINC000826211929 1424972977 /nfs/dbraw/zinc/97/29/77/1424972977.db2.gz ALDUJOLKUSECPQ-UVTDQMKNSA-N -1 0 332.363 3.088 20 30 EGEDRM N#Cc1ccc(NC(=O)CCC=Cc2ccccc2)cc1-c1nn[n-]n1 ZINC000737716828 1426059652 /nfs/dbraw/zinc/05/96/52/1426059652.db2.gz VNUISHPRDXZLTF-XBXARRHUSA-N -1 0 344.378 3.170 20 30 EGEDRM O=C1C(=Cc2cc(-c3nnn[n-]3)cs2)CCc2cc(F)ccc21 ZINC000823498234 1426291956 /nfs/dbraw/zinc/29/19/56/1426291956.db2.gz ICLSMWRHHFWCCN-UXBLZVDNSA-N -1 0 326.356 3.280 20 30 EGEDRM Fc1ccc(N=NCc2c[nH]c3ccc(-c4nn[n-]n4)cc23)c(F)c1 ZINC000822782675 1429854233 /nfs/dbraw/zinc/85/42/33/1429854233.db2.gz AHHWKNGFFANZPF-UHFFFAOYSA-N -1 0 339.309 3.072 20 30 EGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(C)(C)CC(C)C ZINC000819743823 1430014177 /nfs/dbraw/zinc/01/41/77/1430014177.db2.gz QEWNTQRTMMGRLC-UHFFFAOYSA-N -1 0 341.459 3.454 20 30 EGEDRM COc1ccc(CNc2ccc(Cl)c(C#N)c2)cc1-c1nn[n-]n1 ZINC000826204004 1430121817 /nfs/dbraw/zinc/12/18/17/1430121817.db2.gz RNGURSODPJKJGF-UHFFFAOYSA-N -1 0 340.774 3.012 20 30 EGEDRM C[C@@H]([NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)cc1F)c1ccc(C#N)cc1 ZINC000824533158 1441548880 /nfs/dbraw/zinc/54/88/80/1441548880.db2.gz ZMMCKEMUXBXANE-NEPJUHHUSA-N -1 0 336.374 3.289 20 30 EGEDRM C=CCCCN(C)c1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000735412783 1441630430 /nfs/dbraw/zinc/63/04/30/1441630430.db2.gz KUOSVKDCUNATKZ-UHFFFAOYSA-N -1 0 330.342 3.096 20 30 EGEDRM N#Cc1ccc(SCCCOc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737721874 1442366119 /nfs/dbraw/zinc/36/61/19/1442366119.db2.gz CTVDJWFTOYLXKX-UHFFFAOYSA-N -1 0 337.408 3.300 20 30 EGEDRM Cc1c(C(=O)C=Cc2cc(C)cc(C)c2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737251993 1443082693 /nfs/dbraw/zinc/08/26/93/1443082693.db2.gz GPKJVMSZKPAMMK-VOTSOKGWSA-N -1 0 347.422 3.436 20 30 EGEDRM O=C1c2cccc(Cl)c2OC1=Cc1ccc(-c2nn[n-]n2)s1 ZINC000823503389 1443867378 /nfs/dbraw/zinc/86/73/78/1443867378.db2.gz FJZCOPWVBIMZGE-POHAHGRESA-N -1 0 330.756 3.198 20 30 EGEDRM O=C(C=Cc1ccc(-n2cccn2)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000826399789 1446118574 /nfs/dbraw/zinc/11/85/74/1446118574.db2.gz GCDZEYJQPPNYBA-DAXSKMNVSA-N -1 0 348.391 3.010 20 30 EGEDRM CC1(C)Cc2cccc(C=CC(=O)c3cccc(-c4nn[n-]n4)c3)c2O1 ZINC000736215090 1446127287 /nfs/dbraw/zinc/12/72/87/1446127287.db2.gz UEIMXFUHSJWURI-KTKRTIGZSA-N -1 0 346.390 3.476 20 30 EGEDRM CC(C)Oc1ccc(NCc2cccc(-c3nn[n-]n3)c2)cc1C#N ZINC000820174603 1446193767 /nfs/dbraw/zinc/19/37/67/1446193767.db2.gz SXERDBKKLIOUMD-UHFFFAOYSA-N -1 0 334.383 3.138 20 30 EGEDRM C=CCCC[C@H](C)OC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000823894498 1446692725 /nfs/dbraw/zinc/69/27/25/1446692725.db2.gz ROUYKUHJEFOQAV-ZDUSSCGKSA-N -1 0 346.456 3.388 20 30 EGEDRM C[C@H](C(=O)[O-])C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 ZINC001602795728 971558229 /nfs/dbraw/zinc/55/82/29/971558229.db2.gz NGNQGQOKXOZREH-POYBYMJQSA-N -1 0 342.298 3.212 20 30 EGEDRM CCCC[C@H](ON=C(C)C)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001589640096 949679606 /nfs/dbraw/zinc/67/96/06/949679606.db2.gz ZGPGSXFVYUYGAB-CABCVRRESA-N -1 0 326.437 3.061 20 30 EGEDRM CCc1ccc([C@@H](C#N)N(C)C(=O)/C=C/c2ccc(C(=O)[O-])o2)cc1 ZINC001593635516 953608270 /nfs/dbraw/zinc/60/82/70/953608270.db2.gz UZJDUEPMVCXHLM-PXUDHTSWSA-N -1 0 338.363 3.277 20 30 EGEDRM C[C@H]1CCN(C(=O)c2c(Cl)cc(C#N)cc2Cl)C[C@H]1C(=O)[O-] ZINC001589348752 954069658 /nfs/dbraw/zinc/06/96/58/954069658.db2.gz UQJBUVJKDAURRC-WCBMZHEXSA-N -1 0 341.194 3.048 20 30 EGEDRM C[C@@H](CN(C)C(=O)c1ccccc1Oc1ccccc1C#N)C(=O)[O-] ZINC001589031511 955524642 /nfs/dbraw/zinc/52/46/42/955524642.db2.gz NZLZSZPQGXVGGR-ZDUSSCGKSA-N -1 0 338.363 3.143 20 30 EGEDRM C#CCN(C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1)C1CCCCC1 ZINC000846129591 955694469 /nfs/dbraw/zinc/69/44/69/955694469.db2.gz OXQTXACEJCPGSJ-FQEVSTJZSA-N -1 0 342.439 3.006 20 30 EGEDRM N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)NCc1ccccc1C(=O)[O-] ZINC001594627725 956324348 /nfs/dbraw/zinc/32/43/48/956324348.db2.gz ULBZUNZRUKVYAS-GOSISDBHSA-N -1 0 349.390 3.133 20 30 EGEDRM C=CCn1c(C)cc(C(=O)COc2ccc(CC(=O)[O-])cc2)c1C ZINC000013420999 957065685 /nfs/dbraw/zinc/06/56/85/957065685.db2.gz AYGGBPIBDKTYPD-UHFFFAOYSA-N -1 0 327.380 3.180 20 30 EGEDRM N#CCSc1ccccc1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000390307629 972274102 /nfs/dbraw/zinc/27/41/02/972274102.db2.gz MWCKUTCVOGQVOO-UHFFFAOYSA-N -1 0 326.377 3.182 20 30 EGEDRM Cc1cc(C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc(C)c1C#N ZINC001594277616 957726011 /nfs/dbraw/zinc/72/60/11/957726011.db2.gz GRVDYZIDTJAEQT-UHOFOFEASA-N -1 0 328.412 3.040 20 30 EGEDRM Cc1nc(NC(=O)c2cc(C)cc(C(=O)[O-])c2)sc1SCC#N ZINC001594289476 957814826 /nfs/dbraw/zinc/81/48/26/957814826.db2.gz YLJBZQMCWOXAJS-UHFFFAOYSA-N -1 0 347.421 3.326 20 30 EGEDRM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H](C(=O)[O-])C(C)(C)C ZINC001588439733 958322463 /nfs/dbraw/zinc/32/24/63/958322463.db2.gz FVGBZYJKYIRXSZ-OAHLLOKOSA-N -1 0 335.448 3.116 20 30 EGEDRM C=CCN(CCc1ccccc1)C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001588464544 958492856 /nfs/dbraw/zinc/49/28/56/958492856.db2.gz ZRSSECFFVIZMJD-UHFFFAOYSA-N -1 0 325.368 3.042 20 30 EGEDRM C=CC[C@@H](OC(=O)[C@H](OC)C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001573328092 958494452 /nfs/dbraw/zinc/49/44/52/958494452.db2.gz AELSISIRCYXRKW-VXGBXAGGSA-N -1 0 333.167 3.253 20 30 EGEDRM C[C@@H](C(=O)[O-])C(=O)N(Cc1ccccc1)c1cc(Cl)ccc1C#N ZINC001588564013 959117668 /nfs/dbraw/zinc/11/76/68/959117668.db2.gz ACUUWTGWLNMISB-GFCCVEGCSA-N -1 0 342.782 3.466 20 30 EGEDRM Cc1c(Cl)cnc(NC[C@@](C)(C(=O)[O-])c2ccccc2)c1C#N ZINC001594262904 959714203 /nfs/dbraw/zinc/71/42/03/959714203.db2.gz UPNSIMHCGJCBFV-QGZVFWFLSA-N -1 0 329.787 3.370 20 30 EGEDRM C[C@@]1(C(=O)[O-])CCCN(c2ccc(C#N)c(Br)c2F)C1 ZINC000231842238 960210807 /nfs/dbraw/zinc/21/08/07/960210807.db2.gz AOSUADHLLLOAHJ-CQSZACIVSA-N -1 0 341.180 3.151 20 30 EGEDRM C[C@@H]1CN(c2cc(C(F)(F)F)c(F)cc2C#N)CC[C@H]1C(=O)[O-] ZINC001573745827 960491283 /nfs/dbraw/zinc/49/12/83/960491283.db2.gz HCVYBOYDXKDFKR-PSASIEDQSA-N -1 0 330.281 3.263 20 30 EGEDRM CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001573857808 961161287 /nfs/dbraw/zinc/16/12/87/961161287.db2.gz XETSAAANBFEYHQ-UHFFFAOYSA-N -1 0 338.367 3.096 20 30 EGEDRM C=CCCO[C@H](C)C(=O)N[C@@H](CC(=O)[O-])c1ccc(SC)cc1 ZINC000262083171 961442935 /nfs/dbraw/zinc/44/29/35/961442935.db2.gz DUTOJXRUIPCVOK-DOMZBBRYSA-N -1 0 337.441 3.022 20 30 EGEDRM CC(C)[C@H](C(=O)[O-])C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl ZINC001588804076 961454963 /nfs/dbraw/zinc/45/49/63/961454963.db2.gz MQXMMXCHMKKXSI-QWRGUYRKSA-N -1 0 329.183 3.031 20 30 EGEDRM N#Cc1cc(NC(=O)N2CCCC[C@H]2CCC(=O)[O-])c(F)cc1F ZINC001574485902 961679445 /nfs/dbraw/zinc/67/94/45/961679445.db2.gz MTHVSWXFJDPPGK-NSHDSACASA-N -1 0 337.326 3.088 20 30 EGEDRM N#Cc1cccc(C2(C(=O)N[C@H]3C[C@H](C(=O)[O-])c4ccccc43)CC2)c1 ZINC001574490039 961708754 /nfs/dbraw/zinc/70/87/54/961708754.db2.gz SCQAQRCMHVIHDC-ROUUACIJSA-N -1 0 346.386 3.019 20 30 EGEDRM CC(C)C[C@@H](NC(=O)c1ccccc1-c1ccccc1C#N)C(=O)[O-] ZINC001588886109 962173994 /nfs/dbraw/zinc/17/39/94/962173994.db2.gz ZMWGITOAYRWRBI-GOSISDBHSA-N -1 0 336.391 3.454 20 30 EGEDRM O=C([O-])[C@@H]1CC[C@H](NC(=O)Nc2ccccc2C#Cc2ccccc2)C1 ZINC001574607857 962180430 /nfs/dbraw/zinc/18/04/30/962180430.db2.gz SROUQZDWZMRRBY-MSOLQXFVSA-N -1 0 348.402 3.461 20 30 EGEDRM CC(C)[C@H](NC(=O)Nc1cccc(C#Cc2cccs2)c1)C(=O)[O-] ZINC001588957561 962600557 /nfs/dbraw/zinc/60/05/57/962600557.db2.gz IXWWJCMKLCBYST-INIZCTEOSA-N -1 0 342.420 3.379 20 30 EGEDRM C#CCN(C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)[C@H]1CCCc2ccccc21 ZINC001573301476 962627609 /nfs/dbraw/zinc/62/76/09/962627609.db2.gz CWYNFHFJTVBKGB-LMMKCTJWSA-N -1 0 339.435 3.417 20 30 EGEDRM C#C[C@H](NC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F)C(C)(C)C ZINC001573303186 962671294 /nfs/dbraw/zinc/67/12/94/962671294.db2.gz WCEBFNVENXLQDZ-LBPRGKRZSA-N -1 0 340.326 3.156 20 30 EGEDRM C#Cc1ccc(NC(=O)N[C@H](C)c2ccc(OCC(=O)[O-])cc2)cc1 ZINC001573313408 962730195 /nfs/dbraw/zinc/73/01/95/962730195.db2.gz HEIDCWLYALHPKU-CYBMUJFWSA-N -1 0 338.363 3.014 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)c1ccc(Oc2ccccc2)nc1)C(=O)[O-] ZINC001573323352 962770537 /nfs/dbraw/zinc/77/05/37/962770537.db2.gz ADFDTSYOUPISMY-OAHLLOKOSA-N -1 0 326.352 3.023 20 30 EGEDRM C=C(C)C[C@H](NC(=O)c1ccc(Oc2ccc(C)cc2)cn1)C(=O)[O-] ZINC001573324174 962781543 /nfs/dbraw/zinc/78/15/43/962781543.db2.gz OAJNLZWNYURMEL-KRWDZBQOSA-N -1 0 340.379 3.332 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)c1csc(Cc2ccc(F)cc2)n1)C(=O)[O-] ZINC001573324649 962788659 /nfs/dbraw/zinc/78/86/59/962788659.db2.gz WSKYGCXGRHKQIU-CYBMUJFWSA-N -1 0 348.399 3.022 20 30 EGEDRM C=CC[C@H](Cc1ccccc1)NC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001573350080 962964249 /nfs/dbraw/zinc/96/42/49/962964249.db2.gz AVMCJYPNONNCPA-OAHLLOKOSA-N -1 0 327.355 3.441 20 30 EGEDRM C#CCCCCC(=O)N[C@H](C[C@@H]1CCCc2ccccc21)C(=O)[O-] ZINC001588440517 964039269 /nfs/dbraw/zinc/03/92/69/964039269.db2.gz YOCRVXDXBOONAR-FUHWJXTLSA-N -1 0 327.424 3.260 20 30 EGEDRM CCCCCCCCC(=O)N1C[C@H](C(=O)[O-])C[C@H](c2cnn(C)c2)C1 ZINC000868452071 969341006 /nfs/dbraw/zinc/34/10/06/969341006.db2.gz SKVNYHMIYUXLMV-JKSUJKDBSA-N -1 0 349.475 3.187 20 30 EGEDRM Cc1cc(C#N)cc(NCc2ccc(N3CCC(C(=O)[O-])CC3)o2)c1 ZINC000904247049 969604310 /nfs/dbraw/zinc/60/43/10/969604310.db2.gz YFTMBQBWSKDVRA-UHFFFAOYSA-N -1 0 339.395 3.373 20 30 EGEDRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)N[C@@H](CCC#N)c2ccccc2)C1 ZINC001336848195 969734187 /nfs/dbraw/zinc/73/41/87/969734187.db2.gz KWGZCLJEBHRKHO-QFBILLFUSA-N -1 0 343.427 3.318 20 30 EGEDRM C=CCC1(NC(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)CCCC1 ZINC001339958267 969742680 /nfs/dbraw/zinc/74/26/80/969742680.db2.gz JEYMBGNJYYCWOU-HOTGVXAUSA-N -1 0 328.412 3.488 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC001609691400 970447576 /nfs/dbraw/zinc/44/75/76/970447576.db2.gz MJBFUUMCEVRENL-SUYBPPKGSA-N -1 0 334.803 3.097 20 30 EGEDRM Cc1c2cc(C#N)ccc2sc1C(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C ZINC001605074379 972699733 /nfs/dbraw/zinc/69/97/33/972699733.db2.gz NJSPTCGGUNUGOP-GWCFXTLKSA-N -1 0 342.420 3.407 20 30 EGEDRM Cc1c2cc(C#N)ccc2sc1C(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C ZINC001605074383 972700076 /nfs/dbraw/zinc/70/00/76/972700076.db2.gz NJSPTCGGUNUGOP-GXFFZTMASA-N -1 0 342.420 3.407 20 30 EGEDRM Cc1c2cc(C#N)ccc2sc1C(=O)N1CCC[C@@H](C)[C@@H]1C(=O)[O-] ZINC001605077367 972712034 /nfs/dbraw/zinc/71/20/34/972712034.db2.gz UBCVGBLNZBZKBF-MEBBXXQBSA-N -1 0 342.420 3.407 20 30 EGEDRM Cc1cc(OC(=O)c2coc(/C=C/C(=O)[O-])c2)c(C)c(C)c1C#N ZINC001605216604 972961148 /nfs/dbraw/zinc/96/11/48/972961148.db2.gz HBVSRQXHNSIVAF-SNAWJCMRSA-N -1 0 325.320 3.394 20 30 EGEDRM C=CCCC[C@H](C)NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC000398065740 973062898 /nfs/dbraw/zinc/06/28/98/973062898.db2.gz JHKBLFSFGXLBJJ-VIFPVBQESA-N -1 0 349.811 3.200 20 30 EGEDRM N#CC[C@H](C(=O)N1CCCc2cc(C(=O)[O-])ccc21)c1ccccc1 ZINC001605581626 973859475 /nfs/dbraw/zinc/85/94/75/973859475.db2.gz FMWMVSIILANYKU-KRWDZBQOSA-N -1 0 334.375 3.361 20 30 EGEDRM N#Cc1ccccc1/C=C/C(=O)N1CC[C@H](C(=O)[O-])c2ccccc21 ZINC001605620329 973943403 /nfs/dbraw/zinc/94/34/03/973943403.db2.gz ZQMVKTSOUNYOEF-FVNWOWOISA-N -1 0 332.359 3.177 20 30 EGEDRM CC(C)c1c(Cl)ncnc1N=NCc1cccn1[C@H](C)C(=O)[O-] ZINC001591923440 976400911 /nfs/dbraw/zinc/40/09/11/976400911.db2.gz PJBVRXAATBLTGG-SNVBAGLBSA-N -1 0 335.795 3.147 20 30 EGEDRM C[C@H](CC=NNC(=S)Nc1ccccc1C(F)(F)F)C(=O)[O-] ZINC001592470414 978221715 /nfs/dbraw/zinc/22/17/15/978221715.db2.gz IISOCVZHOPMFIF-MRVPVSSYSA-N -1 0 333.335 3.088 20 30 EGEDRM COc1ccc2c(c1)C(=NNc1ccc(C(=O)[O-])cn1)CCS2 ZINC000786035515 978795436 /nfs/dbraw/zinc/79/54/36/978795436.db2.gz BMPHDODWGCHKHC-UHFFFAOYSA-N -1 0 329.381 3.100 20 30 EGEDRM O=C([O-])Cn1cc(CN=Nc2c(F)cccc2F)c2ccccc21 ZINC000799882291 978844096 /nfs/dbraw/zinc/84/40/96/978844096.db2.gz LRBXMQGEXWLSAF-UHFFFAOYSA-N -1 0 329.306 3.450 20 30 EGEDRM O=C([O-])Cn1cc(C=NNc2ccc3n[nH]cc3c2)c2ccccc21 ZINC000799884252 978844225 /nfs/dbraw/zinc/84/42/25/978844225.db2.gz JMBYUGQZYUEEOP-UHFFFAOYSA-N -1 0 333.351 3.048 20 30 EGEDRM C[C@H](Oc1ccc(C=NNc2ccc(F)c(F)c2F)cc1)C(=O)[O-] ZINC000814944983 978899614 /nfs/dbraw/zinc/89/96/14/978899614.db2.gz GBJHRBVROFWOCK-VIFPVBQESA-N -1 0 338.285 3.402 20 30 EGEDRM CCC(CC)(CC(=O)[O-])NC(=O)Nc1cc(C)c(N(C)C)cc1C#N ZINC001595050884 979281457 /nfs/dbraw/zinc/28/14/57/979281457.db2.gz HMFZPWVKPQMCOV-UHFFFAOYSA-N -1 0 346.431 3.088 20 30 EGEDRM C=CCc1cc(C(=O)N[C@H](CC(C)(C)C)C(=O)[O-])cc(OC)c1OC ZINC000846120561 979407682 /nfs/dbraw/zinc/40/76/82/979407682.db2.gz RYMYBWXTMONQKG-CQSZACIVSA-N -1 0 349.427 3.052 20 30 EGEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC001592833806 979572392 /nfs/dbraw/zinc/57/23/92/979572392.db2.gz KBZUHMKVTOSSRD-WMLDXEAASA-N -1 0 348.402 3.342 20 30 EGEDRM C[C@@](Cc1ccc(Cl)cc1)(NC(=O)CCCCCC#N)C(=O)[O-] ZINC001592839472 979598033 /nfs/dbraw/zinc/59/80/33/979598033.db2.gz VUZHCPSZZFKDGQ-KRWDZBQOSA-N -1 0 336.819 3.316 20 30 EGEDRM C[C@@H](Cc1ccc(NC(=O)NCC2CCC(C#N)CC2)cc1)C(=O)[O-] ZINC001592868195 979718546 /nfs/dbraw/zinc/71/85/46/979718546.db2.gz WBWHJABVGFGWQQ-JEYLPNPQSA-N -1 0 343.427 3.401 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000864187751 979835236 /nfs/dbraw/zinc/83/52/36/979835236.db2.gz OCMKMVFIDWTVDU-NEPJUHHUSA-N -1 0 333.281 3.252 20 30 EGEDRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1sccc1CC#N ZINC001595360479 980752512 /nfs/dbraw/zinc/75/25/12/980752512.db2.gz IDUFOXOWOJTMKX-HNNXBMFYSA-N -1 0 342.420 3.492 20 30 EGEDRM CCC1CCC(NC(=O)c2ccc(C3(C#N)CC3)cc2)(C(=O)[O-])CC1 ZINC001595424524 981042304 /nfs/dbraw/zinc/04/23/04/981042304.db2.gz BTRIEWOCUAHVJL-UHFFFAOYSA-N -1 0 340.423 3.395 20 30 EGEDRM CC[C@@H](C(=O)[O-])C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 ZINC001594760394 981691786 /nfs/dbraw/zinc/69/17/86/981691786.db2.gz YDOLZOBNNBZDFY-QGZVFWFLSA-N -1 0 338.363 3.187 20 30 EGEDRM CC[C@](C)(CC(=O)[O-])NC(=O)c1sc2ccc(C#N)cc2c1C ZINC001594826166 981989173 /nfs/dbraw/zinc/98/91/73/981989173.db2.gz HIMRZUCHKSWIOS-QGZVFWFLSA-N -1 0 330.409 3.455 20 30 EGEDRM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cc(C)c(C(=O)[O-])o1 ZINC000911748809 982630686 /nfs/dbraw/zinc/63/06/86/982630686.db2.gz SWJSSKOUVNVLAJ-UHFFFAOYSA-N -1 0 345.399 3.282 20 30 EGEDRM N#C[C@]1(C(=O)Nc2cccc(CSCC(=O)[O-])c2)CC12CCCC2 ZINC000923056179 982699245 /nfs/dbraw/zinc/69/92/45/982699245.db2.gz ITIJWLZSDGWIEL-SFHVURJKSA-N -1 0 344.436 3.417 20 30 EGEDRM CC[C@](C)(C#N)C(=O)NC[C@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000923063674 982702203 /nfs/dbraw/zinc/70/22/03/982702203.db2.gz DGLZUDBYWIXTDE-OXJNMPFZSA-N -1 0 338.407 3.139 20 30 EGEDRM N#C[C@@]1(C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)CC2CCC1CC2 ZINC000923104317 982727076 /nfs/dbraw/zinc/72/70/76/982727076.db2.gz WBBWZXJLFOPKOP-CVAQMOAKSA-N -1 0 338.407 3.312 20 30 EGEDRM CC[C@H](C)N(CC(=O)[O-])C(=O)C1(c2ccc(C#N)cc2)CCCC1 ZINC001594969337 982738048 /nfs/dbraw/zinc/73/80/48/982738048.db2.gz ZHQCUFBMFDECGO-AWEZNQCLSA-N -1 0 328.412 3.082 20 30 EGEDRM C#C[C@H](C)NC(=O)Nc1c(OCc2ccccc2)cccc1C(=O)[O-] ZINC001588368063 983303664 /nfs/dbraw/zinc/30/36/64/983303664.db2.gz GEBLSSYLOBTGRV-ZDUSSCGKSA-N -1 0 338.363 3.107 20 30 EGEDRM C#C[C@@H](C)Oc1ccc(COC(=O)C23CCC(C(=O)[O-])(CC2)C3)cc1 ZINC001588369228 983312643 /nfs/dbraw/zinc/31/26/43/983312643.db2.gz GIQYOJHXWGEZQJ-WPUWVODUSA-N -1 0 342.391 3.165 20 30 EGEDRM C#C[C@@H](NC(=O)CC(C)(C)CC(=O)[O-])c1ccc(Cl)cc1F ZINC001588372516 983331764 /nfs/dbraw/zinc/33/17/64/983331764.db2.gz MFQAPIZHDONKPO-CYBMUJFWSA-N -1 0 325.767 3.161 20 30 EGEDRM CCCc1c(C(=O)OCc2ccccc2C#N)[nH]c(C)c1C(=O)[O-] ZINC001596048643 983345143 /nfs/dbraw/zinc/34/51/43/983345143.db2.gz NYLXENSZZXHCAE-UHFFFAOYSA-N -1 0 326.352 3.203 20 30 EGEDRM C#CCC1(NC(=O)Nc2cccc(SCCC(=O)[O-])c2)CCC1 ZINC001588427780 983458025 /nfs/dbraw/zinc/45/80/25/983458025.db2.gz LTRIFOABZVZDNP-UHFFFAOYSA-N -1 0 332.425 3.321 20 30 EGEDRM C#Cc1ccc(C(=O)N[C@@](C)(Cc2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC001588511200 983558691 /nfs/dbraw/zinc/55/86/91/983558691.db2.gz SUQVNLOHSLKTHO-IBGZPJMESA-N -1 0 341.794 3.137 20 30 EGEDRM C#Cc1ccc(NC(=O)NC(C)(C)c2cc(C(=O)[O-])on2)c(Cl)c1 ZINC001588517723 983566515 /nfs/dbraw/zinc/56/65/15/983566515.db2.gz GAMMDPYNHBBRAM-UHFFFAOYSA-N -1 0 347.758 3.064 20 30 EGEDRM C=C(C)CN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC001588567073 983646114 /nfs/dbraw/zinc/64/61/14/983646114.db2.gz BHOMDMJTFDXMAH-UHFFFAOYSA-N -1 0 349.408 3.053 20 30 EGEDRM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC001588567376 983646946 /nfs/dbraw/zinc/64/69/46/983646946.db2.gz KRBRIQXFUHUEEF-QAQDUYKDSA-N -1 0 347.459 3.260 20 30 EGEDRM C=C(C)c1cccc(NC(=O)[C@H](CC(=O)[O-])NC(=O)OC(C)(C)C)c1 ZINC001588605172 983691423 /nfs/dbraw/zinc/69/14/23/983691423.db2.gz BPAZICXZYGJAQD-AWEZNQCLSA-N -1 0 348.399 3.026 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N1CC[C@@H]1c1ccc(Br)cc1 ZINC001588614070 983706336 /nfs/dbraw/zinc/70/63/36/983706336.db2.gz KQPXNSGBLNNQFY-CYBMUJFWSA-N -1 0 338.201 3.144 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)NC(C)(C)c1ccccc1Br ZINC001588619064 983714602 /nfs/dbraw/zinc/71/46/02/983714602.db2.gz JTAJFLHAANQEBH-UHFFFAOYSA-N -1 0 340.217 3.221 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl ZINC001588619258 983715860 /nfs/dbraw/zinc/71/58/60/983715860.db2.gz PEYMLSASKDACQI-NSHDSACASA-N -1 0 327.167 3.095 20 30 EGEDRM C=C1CCN(C(=O)Nc2cccc(C(=O)[O-])c2Br)CC1 ZINC001588649742 983770196 /nfs/dbraw/zinc/77/01/96/983770196.db2.gz ABUXPZMGYCXYMB-UHFFFAOYSA-N -1 0 339.189 3.331 20 30 EGEDRM C=C[C@@H](C(=O)N[C@H](C(=O)[O-])c1ccc(F)c(C)c1)c1ccccc1 ZINC001588663046 983793085 /nfs/dbraw/zinc/79/30/85/983793085.db2.gz BRECZVMULPIGBX-WBVHZDCISA-N -1 0 327.355 3.346 20 30 EGEDRM C=C[C@H](CC(=O)Nc1cc(C(=O)[O-])cc(OC)c1O)c1ccccc1 ZINC001588690691 983876067 /nfs/dbraw/zinc/87/60/67/983876067.db2.gz IILGDJIWMWAUJE-GFCCVEGCSA-N -1 0 341.363 3.397 20 30 EGEDRM C=C[C@@H](Sc1nnc(-c2ccc(OC(F)F)cc2)o1)C(=O)[O-] ZINC001588714164 983950277 /nfs/dbraw/zinc/95/02/77/983950277.db2.gz AGOLEAOGTGZTLB-SECBINFHSA-N -1 0 328.296 3.069 20 30 EGEDRM C=CC1(CC(=O)N2[C@@H]3C[C@@H](C(=O)[O-])O[C@H]3CC[C@H]2C)CCCCC1 ZINC001588714338 983951347 /nfs/dbraw/zinc/95/13/47/983951347.db2.gz FVDLLXLBKBNXCN-WCVJEAGWSA-N -1 0 335.444 3.135 20 30 EGEDRM C=C[C@H]1CCCCN1C(=O)Nc1sc2c(c1C(=O)[O-])CCOC2 ZINC001588718472 983956943 /nfs/dbraw/zinc/95/69/43/983956943.db2.gz CCGJYBYSUITDJZ-JTQLQIEISA-N -1 0 336.413 3.091 20 30 EGEDRM C=CC[C@@H](CC)NC(=O)Nc1cc(C(=O)[O-])ccc1-n1cc(C)cn1 ZINC001588736329 984024181 /nfs/dbraw/zinc/02/41/81/984024181.db2.gz XLLZOICGCCUKAD-CQSZACIVSA-N -1 0 342.399 3.355 20 30 EGEDRM C=CC[C@@H](NC(=O)c1cc(C(=O)[O-])ccc1Cl)c1ccncc1 ZINC001588743470 984037287 /nfs/dbraw/zinc/03/72/87/984037287.db2.gz XINPGRHSROYAON-OAHLLOKOSA-N -1 0 330.771 3.480 20 30 EGEDRM C=CC[C@@H](Cc1ccccc1)NC(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC001588743865 984039861 /nfs/dbraw/zinc/03/98/61/984039861.db2.gz DSYMEQUTQYLQLI-HNNXBMFYSA-N -1 0 326.396 3.247 20 30 EGEDRM C=CCC1(NC(=O)NCCc2ccc(C(=O)[O-])cc2OC)CCCC1 ZINC001588767065 984127679 /nfs/dbraw/zinc/12/76/79/984127679.db2.gz HBWDKTAWTCVMMY-UHFFFAOYSA-N -1 0 346.427 3.124 20 30 EGEDRM C=CCC1(NC(=O)NCc2cccc(OCC(=O)[O-])c2)CCCCC1 ZINC001588767122 984128349 /nfs/dbraw/zinc/12/83/49/984128349.db2.gz KFZMCOMTQJQDPR-UHFFFAOYSA-N -1 0 346.427 3.228 20 30 EGEDRM C=CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(C)cc1C(=O)[O-] ZINC001588771190 984138540 /nfs/dbraw/zinc/13/85/40/984138540.db2.gz QHDZPVANHFVRLI-HIFRSBDPSA-N -1 0 337.441 3.106 20 30 EGEDRM C=CC[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(C)cc1C(=O)[O-] ZINC001588771189 984138693 /nfs/dbraw/zinc/13/86/93/984138693.db2.gz QHDZPVANHFVRLI-DZGCQCFKSA-N -1 0 337.441 3.106 20 30 EGEDRM C=CC[C@@H]1CCN(C(=O)NC[C@@](CC)(C(=O)[O-])c2ccccc2)C1 ZINC001588772202 984141300 /nfs/dbraw/zinc/14/13/00/984141300.db2.gz AFIUDENRQKSSMQ-DNVCBOLYSA-N -1 0 330.428 3.027 20 30 EGEDRM C=CC[C@@H]1CCN1CC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](C)C2 ZINC001588772978 984145840 /nfs/dbraw/zinc/14/58/40/984145840.db2.gz SXWGFDSSASRFIF-NWDGAFQWSA-N -1 0 348.468 3.160 20 30 EGEDRM C=CC[C@@H]1N(C(=O)NCc2ncc(C(=O)[O-])s2)CCCC1(C)C ZINC001588774103 984150870 /nfs/dbraw/zinc/15/08/70/984150870.db2.gz SVYISDLTVBHZBR-LBPRGKRZSA-N -1 0 337.445 3.118 20 30 EGEDRM C=CCC[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC001588782312 984171106 /nfs/dbraw/zinc/17/11/06/984171106.db2.gz SWXPVMJWBXVWBA-GFCCVEGCSA-N -1 0 343.832 3.158 20 30 EGEDRM C=CCCC[C@H](NC(=O)CCc1ccc(Cl)c(F)c1)C(=O)[O-] ZINC001588788599 984191642 /nfs/dbraw/zinc/19/16/42/984191642.db2.gz IEFUVGITXHWHIY-AWEZNQCLSA-N -1 0 327.783 3.337 20 30 EGEDRM C=CCCC[C@H](NC(=O)CO[C@@H]1CCCc2ccccc21)C(=O)[O-] ZINC001588788933 984194444 /nfs/dbraw/zinc/19/44/44/984194444.db2.gz RXOZIHUWWUJOGM-DLBZAZTESA-N -1 0 331.412 3.006 20 30 EGEDRM C=CCCC[C@H](NC(=O)COc1cc(C)ccc1C(C)C)C(=O)[O-] ZINC001588788939 984194510 /nfs/dbraw/zinc/19/45/10/984194510.db2.gz SFMGOVHQQAMEQL-INIZCTEOSA-N -1 0 333.428 3.423 20 30 EGEDRM C=CCCC[C@@H](NC(=O)Cc1cc2cc(Cl)ccc2[nH]1)C(=O)[O-] ZINC001588789064 984196140 /nfs/dbraw/zinc/19/61/40/984196140.db2.gz WRPWSUOMYHOMBA-OAHLLOKOSA-N -1 0 334.803 3.290 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)C(=O)[O-] ZINC001588792419 984209403 /nfs/dbraw/zinc/20/94/03/984209403.db2.gz GVNPZAZUDSNNCN-GFCCVEGCSA-N -1 0 340.763 3.096 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1cc(Cl)cc2cccnc21)C(=O)[O-] ZINC001588792408 984209484 /nfs/dbraw/zinc/20/94/84/984209484.db2.gz GQOIBCYGPZSKPY-CQSZACIVSA-N -1 0 332.787 3.428 20 30 EGEDRM C=CCN(Cc1ccccc1F)C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC001588831636 984315447 /nfs/dbraw/zinc/31/54/47/984315447.db2.gz FYFUVXCHAHFXFS-CSKARUKUSA-N -1 0 329.327 3.345 20 30 EGEDRM C=CCOc1ccc(C(=O)O[C@H](C(=O)[O-])c2ccccc2)cc1OC ZINC001588874654 984448528 /nfs/dbraw/zinc/44/85/28/984448528.db2.gz CSLVNFUUSIKGQP-KRWDZBQOSA-N -1 0 342.347 3.243 20 30 EGEDRM CCOC(=O)[C@@H]1C/C(=C\c2ccc(C(=O)[O-])[nH]2)C(=O)c2ccccc21 ZINC001596567711 984453499 /nfs/dbraw/zinc/45/34/99/984453499.db2.gz ALHFCQODRHQDNR-SLZMIMFISA-N -1 0 339.347 3.030 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@H](C)Cc1ccco1 ZINC001588881823 984461069 /nfs/dbraw/zinc/46/10/69/984461069.db2.gz FPNITRVCYBOQDT-GFCCVEGCSA-N -1 0 344.363 3.499 20 30 EGEDRM C=CCSc1nc2ccccc2c(=O)n1CCCCCC(=O)[O-] ZINC001588882488 984463647 /nfs/dbraw/zinc/46/36/47/984463647.db2.gz WFRADHPITHLPSB-UHFFFAOYSA-N -1 0 332.425 3.320 20 30 EGEDRM C=CCn1c(SCCc2ccccc2C(=O)[O-])nnc1C1CC1 ZINC001588907680 984540012 /nfs/dbraw/zinc/54/00/12/984540012.db2.gz TZNCKQPBDZRARC-UHFFFAOYSA-N -1 0 329.425 3.375 20 30 EGEDRM C=C[C@@H]1OCC[C@H]1C(=O)Nc1cc(-c2ccncc2)sc1C(=O)[O-] ZINC001588916518 984561163 /nfs/dbraw/zinc/56/11/63/984561163.db2.gz PYBMTQBLMASKBI-YPMHNXCESA-N -1 0 344.392 3.038 20 30 EGEDRM CC#CCCNC(=O)Nc1ccc(Oc2ccnc(C(=O)[O-])c2)cc1 ZINC001588927114 984596589 /nfs/dbraw/zinc/59/65/89/984596589.db2.gz NOKABPNPXCYIBB-UHFFFAOYSA-N -1 0 339.351 3.107 20 30 EGEDRM CC#CCN(C)C(=O)c1ccccc1SCc1occc1C(=O)[O-] ZINC001588931115 984601352 /nfs/dbraw/zinc/60/13/52/984601352.db2.gz LBVSBISSHGFRCF-UHFFFAOYSA-N -1 0 343.404 3.365 20 30 EGEDRM Cc1c2cc(C(C)N=Nc3ncncc3F)cnc2sc1C(=O)[O-] ZINC001589017665 985006651 /nfs/dbraw/zinc/00/66/51/985006651.db2.gz YPNGGTZRDJPCDK-UHFFFAOYSA-N -1 0 345.359 3.068 20 30 EGEDRM Cc1[nH]c(-c2ccccc2)nc1C(=O)C=Cc1cc(C(=O)[O-])n(C)c1 ZINC001599939170 985433145 /nfs/dbraw/zinc/43/31/45/985433145.db2.gz FVIUXUUATBOMAZ-CMDGGOBGSA-N -1 0 335.363 3.318 20 30 EGEDRM Cc1c(C#N)cccc1C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC001599973477 986049411 /nfs/dbraw/zinc/04/94/11/986049411.db2.gz VFIFEUGKEPDQJD-UHFFFAOYSA-N -1 0 344.754 3.236 20 30 EGEDRM C[C@H](C#N)CNC(=O)Nc1ccc(Cl)cc1SCCC(=O)[O-] ZINC001589330509 986173565 /nfs/dbraw/zinc/17/35/65/986173565.db2.gz HTEYWSFJMCTDIJ-SECBINFHSA-N -1 0 341.820 3.188 20 30 EGEDRM C[C@@H]1CN(Cc2cccc(C(=O)[O-])c2C#N)c2cccc(F)c2O1 ZINC001594542114 986178238 /nfs/dbraw/zinc/17/82/38/986178238.db2.gz CYTUCDGTESAWHD-LLVKDONJSA-N -1 0 326.327 3.183 20 30 EGEDRM C[C@H](C(=O)[O-])c1ccc(NC(=O)NCC2CCC(C#N)CC2)cc1 ZINC001589512099 987146233 /nfs/dbraw/zinc/14/62/33/987146233.db2.gz HUHDACRNDYSINI-HSBZDZAISA-N -1 0 329.400 3.326 20 30 EGEDRM CC(C)(C#N)c1ccc(C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)cc1 ZINC001589558825 987311224 /nfs/dbraw/zinc/31/12/24/987311224.db2.gz UVTRTMFIXVVLRL-UHFFFAOYSA-N -1 0 348.402 3.384 20 30 EGEDRM CC(C)(C#N)c1ccccc1COC(=O)c1cccc(CC(=O)[O-])c1 ZINC001589560722 987316588 /nfs/dbraw/zinc/31/65/88/987316588.db2.gz OEJIDGIOGNQSHM-UHFFFAOYSA-N -1 0 337.375 3.472 20 30 EGEDRM CC(C)(C)C#CC(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC001589684117 987720005 /nfs/dbraw/zinc/72/00/05/987720005.db2.gz ATXOXLXEWFSWSB-UHFFFAOYSA-N -1 0 328.412 3.363 20 30 EGEDRM CC(C)(C)Oc1ccc(NC(=O)c2ccoc2CC(=O)[O-])cc1C#N ZINC001590410031 989950295 /nfs/dbraw/zinc/95/02/95/989950295.db2.gz VQJSJELCLHWHAY-UHFFFAOYSA-N -1 0 342.351 3.208 20 30 EGEDRM CN(C(=O)CC1(C#N)CC1)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001598006969 990162673 /nfs/dbraw/zinc/16/26/73/990162673.db2.gz CZDXFLOVJBRSIV-ZDUSSCGKSA-N -1 0 341.194 3.271 20 30 EGEDRM CC(C)(C)c1ncc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)s1 ZINC001590550940 990191105 /nfs/dbraw/zinc/19/11/05/990191105.db2.gz SLDXKJDHQKZZKW-ZDUSSCGKSA-N -1 0 344.392 3.295 20 30 EGEDRM CN(Cc1ccc(C(=O)[O-])cc1)c1cc(Br)cnc1C#N ZINC001598513756 992594153 /nfs/dbraw/zinc/59/41/53/992594153.db2.gz XHODKVMTAAEREY-UHFFFAOYSA-N -1 0 346.184 3.050 20 30 EGEDRM CN(Cc1cccc(C#N)c1)C(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC001598525615 992716484 /nfs/dbraw/zinc/71/64/84/992716484.db2.gz VYOXLIFRGPCZOT-UHFFFAOYSA-N -1 0 348.362 3.402 20 30 EGEDRM COc1ccc2ccccc2c1CNc1ccc(C(=O)[O-])nc1C#N ZINC001599635196 994277349 /nfs/dbraw/zinc/27/73/49/994277349.db2.gz KWFWPYDNCOJSBA-UHFFFAOYSA-N -1 0 333.347 3.425 20 30 EGEDRM C[C@H](Nc1ccc([N+](=O)[O-])cc1C#N)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593366551 995050608 /nfs/dbraw/zinc/05/06/08/995050608.db2.gz ZEDYMJRSEOXQMU-BLLLJJGKSA-N -1 0 339.351 3.210 20 30 EGEDRM COC(=O)[C@H](Nc1ccc(CCC#N)cc1)c1cccc(C(=O)[O-])c1 ZINC001598713877 995381861 /nfs/dbraw/zinc/38/18/61/995381861.db2.gz PDBIWIYRAZRAKU-QGZVFWFLSA-N -1 0 338.363 3.167 20 30 EGEDRM CC1(C)CCc2sc(NC(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)c(C#N)c21 ZINC001593924775 996854320 /nfs/dbraw/zinc/85/43/20/996854320.db2.gz SYLOWMMWYLOUEZ-VHSXEESVSA-N -1 0 332.425 3.283 20 30 EGEDRM COc1ccc([C@@H](C)CCNc2ccc(C(=O)[O-])nc2C#N)cc1 ZINC001599507556 997237813 /nfs/dbraw/zinc/23/78/13/997237813.db2.gz RVYZFBLPAZVAOD-LBPRGKRZSA-N -1 0 325.368 3.266 20 30 EGEDRM COCCC(N=Nc1ccc(C(=O)[O-])c(Cl)c1)C1CCOCC1 ZINC001599208367 997453181 /nfs/dbraw/zinc/45/31/81/997453181.db2.gz OQUPVMOYUGHBBC-UHFFFAOYSA-N -1 0 340.807 3.269 20 30 EGEDRM COC(=O)c1cc(Cl)ccc1OCc1cccc(C(=O)[O-])c1C#N ZINC001598936233 997871348 /nfs/dbraw/zinc/87/13/48/997871348.db2.gz WYWYPTSJWJLTPB-UHFFFAOYSA-N -1 0 345.738 3.275 20 30 EGEDRM COCCN(Cc1cccc(C(=O)[O-])c1C#N)[C@@H](C)c1ccccc1 ZINC001599237560 997972292 /nfs/dbraw/zinc/97/22/92/997972292.db2.gz IFZDDYXQOIWNLK-HNNXBMFYSA-N -1 0 338.407 3.466 20 30 EGEDRM CC1=C(Br)CN([C@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC001594090070 998034148 /nfs/dbraw/zinc/03/41/48/998034148.db2.gz DJPVVNAOBNXKLU-AWEZNQCLSA-N -1 0 335.201 3.059 20 30 EGEDRM COCCOc1cccc(F)c1C(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC001599260991 998385401 /nfs/dbraw/zinc/38/54/01/998385401.db2.gz QMEKDCLMYYBTOB-WAYWQWQTSA-N -1 0 334.299 3.038 20 30 EGEDRM COC(=O)c1ccc(/C=C/C(=O)c2ccc(Cl)cc2C(=O)[O-])[nH]1 ZINC001598973479 998560781 /nfs/dbraw/zinc/56/07/81/998560781.db2.gz JRFQQDCOPZVMLI-QPJJXVBHSA-N -1 0 333.727 3.049 20 30 EGEDRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC001594156147 998567020 /nfs/dbraw/zinc/56/70/20/998567020.db2.gz IVIBGEVGMNPLNH-YJBOKZPZSA-N -1 0 348.402 3.413 20 30 EGEDRM C[C@H]1CC[C@@](NC(=O)Cc2ccc(C#N)cc2)(C(=O)[O-])c2ccccc21 ZINC001594315548 999222368 /nfs/dbraw/zinc/22/23/68/999222368.db2.gz YTHZOTOCFQMHEX-QKKBWIMNSA-N -1 0 348.402 3.094 20 30 EGEDRM C[C@@H]1CC[C@@](NC(=O)C#Cc2ccccc2)(C(=O)[O-])c2ccccc21 ZINC001594324303 999250874 /nfs/dbraw/zinc/25/08/74/999250874.db2.gz WRDHWDZRASXUJY-VFNWGFHPSA-N -1 0 333.387 3.032 20 30 EGEDRM C=CCOc1ccc(C(=O)NCC2(C(=O)[O-])CCCCC2)cc1OC ZINC000262727707 201205606 /nfs/dbraw/zinc/20/56/06/201205606.db2.gz GWHDFYNCESFUNQ-UHFFFAOYSA-N -1 0 347.411 3.025 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2cc3c(s2)CCC3)n1 ZINC000007828789 258053365 /nfs/dbraw/zinc/05/33/65/258053365.db2.gz YETGIAJIHAEZOR-LLVKDONJSA-N -1 0 346.433 3.035 20 30 EGEDRM Cc1cccc([C@H]([N-]S(=O)(=O)c2ccc(C#N)o2)C(F)(F)F)c1 ZINC000344677754 144209038 /nfs/dbraw/zinc/20/90/38/144209038.db2.gz WYLTZWAVFVJXSE-ZDUSSCGKSA-N -1 0 344.314 3.042 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)c2cccc3cnccc32)cc1F ZINC000307956816 154136183 /nfs/dbraw/zinc/13/61/83/154136183.db2.gz GJMZMDYKWYJPMT-UHFFFAOYSA-N -1 0 327.340 3.046 20 30 EGEDRM N#Cc1cc(C(F)(F)F)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000317225826 154157741 /nfs/dbraw/zinc/15/77/41/154157741.db2.gz IARUPYXMBFNSIS-UHFFFAOYSA-N -1 0 326.299 3.378 20 30 EGEDRM Cc1cc(NC(=O)[C@H](C)Oc2ccccc2C#N)cc(C(=O)[O-])c1C ZINC000327384625 154186404 /nfs/dbraw/zinc/18/64/04/154186404.db2.gz WKHZCKSFSXRFBG-ZDUSSCGKSA-N -1 0 338.363 3.279 20 30 EGEDRM Cc1[nH]nc([N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)c1C#N ZINC000351672135 165127689 /nfs/dbraw/zinc/12/76/89/165127689.db2.gz GPSWIJMPNUGYEF-UHFFFAOYSA-N -1 0 345.211 3.006 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nccs3)cc2)o1 ZINC000361117037 167526009 /nfs/dbraw/zinc/52/60/09/167526009.db2.gz XNPZOJZVOLNQQP-UHFFFAOYSA-N -1 0 331.378 3.076 20 30 EGEDRM Cc1[n-][nH]c(=NC(=O)c2cccc(OCc3cccc(C)c3)c2)c1C#N ZINC000431671623 270050306 /nfs/dbraw/zinc/05/03/06/270050306.db2.gz DXSBLKAFEHZMAM-UHFFFAOYSA-N -1 0 346.390 3.151 20 30 EGEDRM CC(=Cc1cc(F)ccc1Br)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000193611126 266046566 /nfs/dbraw/zinc/04/65/66/266046566.db2.gz RNBOCXBBNRBFBQ-YVMONPNESA-N -1 0 348.175 3.412 20 30 EGEDRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)C=Cc1cccc(C#N)c1 ZINC000492913812 268023120 /nfs/dbraw/zinc/02/31/20/268023120.db2.gz RUDPBQJQWPEUAU-VURMDHGXSA-N -1 0 345.362 3.009 20 30 EGEDRM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1cc(C)cc(C#N)c1 ZINC000451115347 268092958 /nfs/dbraw/zinc/09/29/58/268092958.db2.gz OMZWQVPJSJRZDD-UHFFFAOYSA-N -1 0 346.456 3.137 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(C4CCC4)nc3c2)o1 ZINC000288686232 268207896 /nfs/dbraw/zinc/20/78/96/268207896.db2.gz XEMSZPDPWCQSJE-UHFFFAOYSA-N -1 0 342.380 3.096 20 30 EGEDRM CCCc1c(NC(=O)c2ncccc2[O-])cnn1-c1cccc(C#N)c1 ZINC000364754871 276054895 /nfs/dbraw/zinc/05/48/95/276054895.db2.gz KQXFWCYAPFLLQY-UHFFFAOYSA-N -1 0 347.378 3.049 20 30 EGEDRM C[C@@H]1C[C@H](C(=O)[O-])CN(c2c(C#N)cnc3ccc(Cl)cc32)C1 ZINC000263172974 297343893 /nfs/dbraw/zinc/34/38/93/297343893.db2.gz JMVCZIBGHVCHEL-MNOVXSKESA-N -1 0 329.787 3.307 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2O)cc1Cl ZINC000076937856 307410271 /nfs/dbraw/zinc/41/02/71/307410271.db2.gz KXJOHFPUOQFAKD-UHFFFAOYSA-N -1 0 343.191 3.371 20 30 EGEDRM Cc1cccc(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2)c1C#N ZINC000132787500 307662766 /nfs/dbraw/zinc/66/27/66/307662766.db2.gz FPOGOKDGVFHPMF-UHFFFAOYSA-N -1 0 339.376 3.323 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2nn(C(C)C)cc2C#N)cc1Cl ZINC000160663289 307893293 /nfs/dbraw/zinc/89/32/93/307893293.db2.gz LVVJUGQEZXZDSI-UHFFFAOYSA-N -1 0 338.820 3.098 20 30 EGEDRM N#Cc1cccc(Sc2n[n-]c(=NCCc3ccccc3)s2)n1 ZINC000535128542 314028309 /nfs/dbraw/zinc/02/83/09/314028309.db2.gz IPUOMAPKHSPJKD-UHFFFAOYSA-N -1 0 339.449 3.032 20 30 EGEDRM CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2ccccc2C#N)c1C1CC1 ZINC000536495542 314117430 /nfs/dbraw/zinc/11/74/30/314117430.db2.gz CBYHDDYCBZBXHD-GFCCVEGCSA-N -1 0 344.440 3.404 20 30 EGEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]c2cncc3ccccc32)c(F)c1 ZINC000538940481 314286935 /nfs/dbraw/zinc/28/69/35/314286935.db2.gz KVWXOBZBKFGPMX-UHFFFAOYSA-N -1 0 345.330 3.185 20 30 EGEDRM N#Cc1ccc(-c2ccc(C(=O)N3CCC(C(=O)[O-])CC3)cc2)cc1 ZINC000572735686 317384301 /nfs/dbraw/zinc/38/43/01/317384301.db2.gz CZHYRXGBDDMXHC-UHFFFAOYSA-N -1 0 334.375 3.162 20 30 EGEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1nc(C(C)(C)C)cs1 ZINC000388849684 324276887 /nfs/dbraw/zinc/27/68/87/324276887.db2.gz FFVXKHUNERZDRE-UHFFFAOYSA-N -1 0 335.454 3.422 20 30 EGEDRM N#Cc1cccc(-c2ccc(C(=O)N3CCC(C(=O)[O-])CC3)cc2)c1 ZINC000575196283 324436278 /nfs/dbraw/zinc/43/62/78/324436278.db2.gz HXERVYCHYNCURR-UHFFFAOYSA-N -1 0 334.375 3.162 20 30 EGEDRM N#Cc1cnc2c(Cl)cccc2c1N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000581547835 325370709 /nfs/dbraw/zinc/37/07/09/325370709.db2.gz AWPSXZROWMPZRE-KPZWWZAWSA-N -1 0 341.798 3.451 20 30 EGEDRM C=CC[C@@H](CC)NC(=O)c1ccc(I)c(O)c1 ZINC000393795833 457468694 /nfs/dbraw/zinc/46/86/94/457468694.db2.gz JOQCMUWGPVRTBY-SNVBAGLBSA-N -1 0 345.180 3.081 20 30 EGEDRM C=CCCC(=O)N[C@H](CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000238099219 455253850 /nfs/dbraw/zinc/25/38/50/455253850.db2.gz JAMKXZPTGWANQD-GFCCVEGCSA-N -1 0 331.290 3.183 20 30 EGEDRM C=CCC(CC=C)C(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)[O-] ZINC000238203162 455258074 /nfs/dbraw/zinc/25/80/74/455258074.db2.gz QVOHACHQSOOBGJ-QGZVFWFLSA-N -1 0 344.386 3.187 20 30 EGEDRM Cc1nc(N2CCC(Nc3cccc(C(=O)[O-])c3)CC2)ccc1C#N ZINC000600675265 460565366 /nfs/dbraw/zinc/56/53/66/460565366.db2.gz KMPZNTRPBNMWNJ-UHFFFAOYSA-N -1 0 336.395 3.041 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)N(C)Cc2ccccc2Cl)cc1C#N ZINC000027605691 453819362 /nfs/dbraw/zinc/81/93/62/453819362.db2.gz DNVYJCXGDORADS-UHFFFAOYSA-N -1 0 347.827 3.306 20 30 EGEDRM COCCOc1ccccc1C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000066516494 453849265 /nfs/dbraw/zinc/84/92/65/453849265.db2.gz XJNDACBKEJXIEJ-CQSZACIVSA-N -1 0 336.347 3.343 20 30 EGEDRM C=CCOc1cccc(NC(=O)c2cc(=O)n(-c3ccc(C)cc3)[n-]2)c1 ZINC000081288270 453856098 /nfs/dbraw/zinc/85/60/98/453856098.db2.gz CCGKPUMZWHQYOI-UHFFFAOYSA-N -1 0 349.390 3.291 20 30 EGEDRM Cc1nn(C)c2nc(C)c(C([O-])=C(C#N)c3nc4ccccc4o3)cc12 ZINC000041539751 453971184 /nfs/dbraw/zinc/97/11/84/453971184.db2.gz BBFWCYIUCNOMOC-CQSZACIVSA-N -1 0 345.362 3.216 20 30 EGEDRM CNc1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)cc1[N+](=O)[O-] ZINC000041547206 453971409 /nfs/dbraw/zinc/97/14/09/453971409.db2.gz ZAOJMBQSKALPSS-LLVKDONJSA-N -1 0 336.307 3.268 20 30 EGEDRM COc1ccc([N+](=O)[O-])cc1C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000041543766 453971598 /nfs/dbraw/zinc/97/15/98/453971598.db2.gz ARMQBYOUSOWLFP-GFCCVEGCSA-N -1 0 337.291 3.235 20 30 EGEDRM O=C(C=Cc1ccc([N+](=O)[O-])cc1)[N-]S(=O)(=O)c1cccs1 ZINC000042243724 454002192 /nfs/dbraw/zinc/00/21/92/454002192.db2.gz PLBISXUEUQDWSU-VMPITWQZSA-N -1 0 338.366 3.015 20 30 EGEDRM Cn1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CC2(Cl)Cl)c2ccccc21 ZINC000095446120 454213701 /nfs/dbraw/zinc/21/37/01/454213701.db2.gz YWLHYTUXPPSUBK-VIFPVBQESA-N -1 0 347.223 3.017 20 30 EGEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(C(F)(F)F)nc1 ZINC000090166772 454288217 /nfs/dbraw/zinc/28/82/17/454288217.db2.gz DHCBBTQBMKZAJU-UHFFFAOYSA-N -1 0 341.314 3.081 20 30 EGEDRM COc1ccc(C)cc1-n1ccc(C(=O)Nc2cc(C#N)ccc2[O-])n1 ZINC000072311689 454293261 /nfs/dbraw/zinc/29/32/61/454293261.db2.gz SOURHUVYFKKZJA-UHFFFAOYSA-N -1 0 348.362 3.019 20 30 EGEDRM C=CCN(CCc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184710844 455434658 /nfs/dbraw/zinc/43/46/58/455434658.db2.gz GPMUWYDVKPRJAP-UHFFFAOYSA-N -1 0 326.352 3.171 20 30 EGEDRM Cc1cc(F)cc(C(=O)[N-]S(=O)(=O)Cc2ccc(Cl)nc2)c1 ZINC000097010570 454386657 /nfs/dbraw/zinc/38/66/57/454386657.db2.gz WJAXTLPJIBFCIA-UHFFFAOYSA-N -1 0 342.779 3.017 20 30 EGEDRM O=C([O-])c1ccc(/C=C\C(=O)c2ccc(N3CCOCC3)cc2)cc1 ZINC000048417721 454487808 /nfs/dbraw/zinc/48/78/08/454487808.db2.gz KTSYZPOIHJEWBV-KMKOMSMNSA-N -1 0 337.375 3.118 20 30 EGEDRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)C1C2CC3CC(C2)CC1C3 ZINC000048490863 454492913 /nfs/dbraw/zinc/49/29/13/454492913.db2.gz HXUZOWDDYWSERB-UHFFFAOYSA-N -1 0 338.429 3.009 20 30 EGEDRM O=C([N-]S(=O)(=O)c1cccnc1)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000048532890 454496727 /nfs/dbraw/zinc/49/67/27/454496727.db2.gz DABCLOCRHBERGP-NXEZZACHSA-N -1 0 336.335 3.096 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2ccn(-c3ccccc3F)n2)n1 ZINC000073973797 454510719 /nfs/dbraw/zinc/51/07/19/454510719.db2.gz GURXYAXCLPRMNV-LLVKDONJSA-N -1 0 326.356 3.266 20 30 EGEDRM CSc1ccc(NC(=O)c2cc(C#N)c(SC)[n-]c2=O)cc1 ZINC000074070788 454528944 /nfs/dbraw/zinc/52/89/44/454528944.db2.gz GWDQRDPAZPSEIP-UHFFFAOYSA-N -1 0 331.422 3.355 20 30 EGEDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc(F)cc2C#N)cc1C ZINC000124591194 454750848 /nfs/dbraw/zinc/75/08/48/454750848.db2.gz ZLUQYNBOOXCXBK-UHFFFAOYSA-N -1 0 349.343 3.023 20 30 EGEDRM CC(C)(C)c1[n-]n(CC(=O)NCC2CCCCC2)c(=O)c1CCC#N ZINC000153476703 454798183 /nfs/dbraw/zinc/79/81/83/454798183.db2.gz GZDAALYJHDUBEZ-UHFFFAOYSA-N -1 0 346.475 3.039 20 30 EGEDRM N#Cc1nc(NC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2Cl)[n-]c1C#N ZINC000111561906 454869116 /nfs/dbraw/zinc/86/91/16/454869116.db2.gz NUWQOGKNUWTQSZ-IUCAKERBSA-N -1 0 346.177 3.202 20 30 EGEDRM CC(C)OC(=O)CCC/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000154222774 454875959 /nfs/dbraw/zinc/87/59/59/454875959.db2.gz ZKWOLCFXBXXUTN-LZYBPNLTSA-N -1 0 328.752 3.105 20 30 EGEDRM CC(C)c1csc(C(C#N)=C([O-])c2cccc(S(C)(=O)=O)c2)n1 ZINC000177747700 454898777 /nfs/dbraw/zinc/89/87/77/454898777.db2.gz SCSRMCFFXSTWGI-CYBMUJFWSA-N -1 0 348.449 3.160 20 30 EGEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000127026791 454933685 /nfs/dbraw/zinc/93/36/85/454933685.db2.gz XVXIOSYEXBGFKM-UHFFFAOYSA-N -1 0 328.802 3.083 20 30 EGEDRM CC(C)Cc1ccc(CCCC(=O)Nc2nc(C#N)c(C#N)[n-]2)cc1 ZINC000151392544 454979711 /nfs/dbraw/zinc/97/97/11/454979711.db2.gz HGKYYAVDKNDFEB-UHFFFAOYSA-N -1 0 335.411 3.313 20 30 EGEDRM CC(C)(C)OC(=O)N1CCC[C@@H]1C/N=C/c1cc([N+](=O)[O-])ccc1[O-] ZINC000170963939 455006624 /nfs/dbraw/zinc/00/66/24/455006624.db2.gz JGGHYUBOUIQSGN-YFEUJDIGSA-N -1 0 349.387 3.119 20 30 EGEDRM CCN(C[C@H](C)C#N)C(=O)c1nn(-c2cccc(C(C)C)c2)cc1[O-] ZINC000155807332 455047892 /nfs/dbraw/zinc/04/78/92/455047892.db2.gz ULUSHKOPCOFGJD-CQSZACIVSA-N -1 0 340.427 3.323 20 30 EGEDRM Cc1cccc(-n2cc(C([O-])=C(C#N)c3nc4ccccc4o3)nn2)c1 ZINC000171330429 455062882 /nfs/dbraw/zinc/06/28/82/455062882.db2.gz AVWXBECBFVZOFN-AWEZNQCLSA-N -1 0 343.346 3.207 20 30 EGEDRM COCCOc1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)cc1 ZINC000171797367 455094415 /nfs/dbraw/zinc/09/44/15/455094415.db2.gz NEVLZRRITIHJAY-HNNXBMFYSA-N -1 0 336.347 3.343 20 30 EGEDRM C=C(C)CN(C)[C@H](C)c1nc(=O)c2c(C)c(C(=O)OCC)sc2[nH]1 ZINC000181289570 455313773 /nfs/dbraw/zinc/31/37/73/455313773.db2.gz QHZIKXVBUMYZDV-LLVKDONJSA-N -1 0 349.456 3.039 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2cc(F)ccc2OCC2CC2)cc1[O-] ZINC000192169941 455568487 /nfs/dbraw/zinc/56/84/87/455568487.db2.gz WDZVHFYJVLHTGU-UHFFFAOYSA-N -1 0 326.327 3.444 20 30 EGEDRM Cn1cc(Br)cc1C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000192794768 455694579 /nfs/dbraw/zinc/69/45/79/455694579.db2.gz PGAHILKFWMSCLZ-JTQLQIEISA-N -1 0 344.168 3.419 20 30 EGEDRM C=C[C@H](CC(=O)N[C@@]1(C(=O)[O-])C[C@H](OCC)C1(C)C)c1ccccc1 ZINC000193030608 455736576 /nfs/dbraw/zinc/73/65/76/455736576.db2.gz SQSYRPJQDJJZEC-PTSWNOGYSA-N -1 0 345.439 3.121 20 30 EGEDRM N#CC(=C([O-])c1cc2ccccc2[nH]c1=O)c1nc2ccccc2o1 ZINC000193534468 455763269 /nfs/dbraw/zinc/76/32/69/455763269.db2.gz JGOQRWYFESLBMY-ZDUSSCGKSA-N -1 0 329.315 3.159 20 30 EGEDRM CC(C)(C)n1cc(C#N)c([N-]S(=O)(=O)c2ccc(C3CC3)cc2)n1 ZINC000295161816 455841419 /nfs/dbraw/zinc/84/14/19/455841419.db2.gz GZWVFPVOLQUKTQ-UHFFFAOYSA-N -1 0 344.440 3.188 20 30 EGEDRM N#CCc1ccccc1S(=O)(=O)Nc1ccc([C@H]2CCOC2)cc1 ZINC000295252004 455844642 /nfs/dbraw/zinc/84/46/42/455844642.db2.gz WUXYTUQUTOGKTJ-INIZCTEOSA-N -1 0 342.420 3.057 20 30 EGEDRM N#C[C@@]1(NC(=O)c2ccc([O-])c(Cl)c2)CCc2ccccc2C1 ZINC000186910360 455850164 /nfs/dbraw/zinc/85/01/64/455850164.db2.gz FFOQPOOGEQGTRM-GOSISDBHSA-N -1 0 326.783 3.227 20 30 EGEDRM COC(=O)N(C)Cc1ccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000255050125 455859185 /nfs/dbraw/zinc/85/91/85/455859185.db2.gz XQIBPWPGDQOQTO-UHFFFAOYSA-N -1 0 343.339 3.249 20 30 EGEDRM O=C(/C=C/c1ccc(O)c(F)c1)c1ccc(N2CCC(O)CC2)cc1 ZINC000270044131 455863512 /nfs/dbraw/zinc/86/35/12/455863512.db2.gz PGUKRWOJNBUASN-LREOWRDNSA-N -1 0 341.382 3.389 20 30 EGEDRM CCc1cc([N-]S(=O)(=O)c2cccc(C#N)c2)c2ccccc2n1 ZINC000194680095 455873301 /nfs/dbraw/zinc/87/33/01/455873301.db2.gz HWBSATWZSZKARP-UHFFFAOYSA-N -1 0 337.404 3.470 20 30 EGEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1nnc(C2CCCCC2)o1 ZINC000194782825 455882741 /nfs/dbraw/zinc/88/27/41/455882741.db2.gz SDDJHQBEQWHJSN-UHFFFAOYSA-N -1 0 346.412 3.098 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)cc1[O-] ZINC000188337393 456046445 /nfs/dbraw/zinc/04/64/45/456046445.db2.gz ZEUILGBATUNDMX-UHFFFAOYSA-N -1 0 349.390 3.189 20 30 EGEDRM C=CCC[C@@H](NC(=O)[C@H](C)Sc1ccccc1Cl)C(=O)[O-] ZINC000262910969 456067894 /nfs/dbraw/zinc/06/78/94/456067894.db2.gz NEWBUUHTYCXOTE-CMPLNLGQSA-N -1 0 327.833 3.356 20 30 EGEDRM COc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(F)cc1C#N ZINC000612735296 460714861 /nfs/dbraw/zinc/71/48/61/460714861.db2.gz WBQUJMQCKQPUQA-UHFFFAOYSA-N -1 0 340.763 3.160 20 30 EGEDRM C=C(C)[C@H](NC(=O)N1CC[C@](C)(C(=O)[O-])C1)c1ccc(F)c(F)c1 ZINC000263401135 456142712 /nfs/dbraw/zinc/14/27/12/456142712.db2.gz SCACPLJUZTXLIZ-YOEHRIQHSA-N -1 0 338.354 3.088 20 30 EGEDRM C[C@@H](CC#N)N(C)C(=O)N=c1[n-]nc(-c2cc3ccccc3o2)s1 ZINC000347746310 456345624 /nfs/dbraw/zinc/34/56/24/456345624.db2.gz XJRGCZBFCKCTQX-JTQLQIEISA-N -1 0 341.396 3.139 20 30 EGEDRM COCCOCc1ccc(C/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000290883148 456456801 /nfs/dbraw/zinc/45/68/01/456456801.db2.gz CCBWFSJTUIVUSC-XDHOZWIPSA-N -1 0 344.367 3.083 20 30 EGEDRM C=CCOc1ccc(C(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])cc1 ZINC000326776348 456698940 /nfs/dbraw/zinc/69/89/40/456698940.db2.gz MFSRRHAKSHSDJJ-GOSISDBHSA-N -1 0 337.375 3.076 20 30 EGEDRM C[C@H](NC(=O)CC1CCCCC1)C(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000328788350 456761798 /nfs/dbraw/zinc/76/17/98/456761798.db2.gz KAWVQBRDTAGHKM-LBPRGKRZSA-N -1 0 330.432 3.030 20 30 EGEDRM CC(C)Oc1c(F)cc([N-]S(=O)(=O)c2ccc(C#N)o2)cc1F ZINC000340968249 456789325 /nfs/dbraw/zinc/78/93/25/456789325.db2.gz KDCQSOAGDWMBFO-UHFFFAOYSA-N -1 0 342.323 3.017 20 30 EGEDRM C[C@@H]1C[C@H](C([O-])=Nc2cccn(CC(F)(F)F)c2=O)CCC1=O ZINC000328958312 456801926 /nfs/dbraw/zinc/80/19/26/456801926.db2.gz PPUQFOVKBURUEB-NXEZZACHSA-N -1 0 330.306 3.004 20 30 EGEDRM O=C(N=c1[n-]nc(CC(F)(F)F)s1)N[C@@H]1CC12CCCCC2 ZINC000329131745 456840340 /nfs/dbraw/zinc/84/03/40/456840340.db2.gz XYMFWFZBFXGBLK-MRVPVSSYSA-N -1 0 334.367 3.114 20 30 EGEDRM CC1(C)C[C@H](NC(=O)N=c2nc(-c3ccccc3)[n-]s2)C(C)(C)O1 ZINC000329235954 456859210 /nfs/dbraw/zinc/85/92/10/456859210.db2.gz JAQVFPHKQROWQA-LBPRGKRZSA-N -1 0 346.456 3.299 20 30 EGEDRM C=C(C[N-]S(=O)(=O)c1c(F)cc(F)cc1F)c1ccccc1 ZINC000344893038 456869463 /nfs/dbraw/zinc/86/94/63/456869463.db2.gz WKNIPRGMJWUKDW-UHFFFAOYSA-N -1 0 327.327 3.096 20 30 EGEDRM Cc1ccc2ncc(/C([O-])=N/[C@@H]3CC[C@@H]4CCC[C@H]4C3)c(=O)n2c1 ZINC000329640057 456919694 /nfs/dbraw/zinc/91/96/94/456919694.db2.gz ZOAVTSDULXLDEZ-SOUVJXGZSA-N -1 0 325.412 3.276 20 30 EGEDRM C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000353857111 456938236 /nfs/dbraw/zinc/93/82/36/456938236.db2.gz LHUMWOCZSXTDCD-SECBINFHSA-N -1 0 334.734 3.462 20 30 EGEDRM O=C(N=c1[n-]nc(C(F)(F)F)s1)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000329796784 456941637 /nfs/dbraw/zinc/94/16/37/456941637.db2.gz FBSPZZWIRUTAKE-DJLDLDEBSA-N -1 0 334.367 3.274 20 30 EGEDRM CC[C@H](c1n[n-]c(=NC(=O)NCC(C)(C)C#N)s1)c1ccccc1 ZINC000349371490 456955420 /nfs/dbraw/zinc/95/54/20/456955420.db2.gz BPBLOUBFWRCWJX-ZDUSSCGKSA-N -1 0 343.456 3.173 20 30 EGEDRM Cc1cc(N=C([O-])C2CCC(NC(=O)C3CC3)CC2)cn(C)c1=O ZINC000330020358 456975347 /nfs/dbraw/zinc/97/53/47/456975347.db2.gz WKLJXNLBVBUBBL-UHFFFAOYSA-N -1 0 331.416 3.207 20 30 EGEDRM C[C@@H](CN(Cc1ccccc1)C(=O)c1ccc(CC#N)cc1)C(=O)[O-] ZINC000345786658 456994369 /nfs/dbraw/zinc/99/43/69/456994369.db2.gz UUIZKNLOEJQQAJ-HNNXBMFYSA-N -1 0 336.391 3.116 20 30 EGEDRM CC(C)c1ccccc1S(=O)(=O)[N-]c1n[nH]c(C2CC2)c1C#N ZINC000362657723 457029587 /nfs/dbraw/zinc/02/95/87/457029587.db2.gz OPVOGKIJSQWGPM-UHFFFAOYSA-N -1 0 330.413 3.083 20 30 EGEDRM COC(=O)c1cc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)cn1C ZINC000346410324 457041521 /nfs/dbraw/zinc/04/15/21/457041521.db2.gz HBYDCIMYBZWHNT-LLVKDONJSA-N -1 0 345.424 3.056 20 30 EGEDRM CC(C)Cn1cc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)cn1 ZINC000359496560 457088265 /nfs/dbraw/zinc/08/82/65/457088265.db2.gz ARGZMEJKJCGOBY-ZDUSSCGKSA-N -1 0 336.317 3.443 20 30 EGEDRM Cc1csc([C@H](C)NC(=O)N=c2nc(C(C)(C)C)[n-]s2)n1 ZINC000330829733 457091855 /nfs/dbraw/zinc/09/18/55/457091855.db2.gz UCFWCFFWSPCONM-QMMMGPOBSA-N -1 0 325.463 3.110 20 30 EGEDRM N#CCc1ccc([N-]S(=O)(=O)c2ccccc2-c2ccno2)cc1 ZINC000354257991 457159839 /nfs/dbraw/zinc/15/98/39/457159839.db2.gz XPTYHXGTBHOFOP-UHFFFAOYSA-N -1 0 339.376 3.208 20 30 EGEDRM C=CCn1c(-c2c[nH]c3ccccc23)n[n-]c1=Nc1c(C)n[nH]c1C ZINC000350798461 457207608 /nfs/dbraw/zinc/20/76/08/457207608.db2.gz QOCIEVHPXLDUOE-UHFFFAOYSA-N -1 0 333.399 3.118 20 30 EGEDRM CC(C)Oc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000351758165 457316661 /nfs/dbraw/zinc/31/66/61/457316661.db2.gz WIZYEKYLEKYEHU-UHFFFAOYSA-N -1 0 334.372 3.285 20 30 EGEDRM C=CCC[C@@H](C(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1)c1ccccc1 ZINC000425298178 457487354 /nfs/dbraw/zinc/48/73/54/457487354.db2.gz IZMZBKVUEKFOFG-HZPDHXFCSA-N -1 0 341.411 3.231 20 30 EGEDRM COc1cc2c(cc1Cl)CN(C(=O)c1ccc(C#N)c(O)c1)CC2 ZINC000361041492 457535590 /nfs/dbraw/zinc/53/55/90/457535590.db2.gz FUMAZHBPTOFPBQ-UHFFFAOYSA-N -1 0 342.782 3.124 20 30 EGEDRM Cc1cccc(S(=O)(=O)[N-]c2cc(C)c(N(C)C)cc2C#N)c1 ZINC000357474301 457551264 /nfs/dbraw/zinc/55/12/64/457551264.db2.gz LWMWCCYOEACIHA-UHFFFAOYSA-N -1 0 329.425 3.042 20 30 EGEDRM C=CCS(=O)(=O)[N-]C(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2 ZINC000408476706 457570888 /nfs/dbraw/zinc/57/08/88/457570888.db2.gz BYGRKBSJFULCJF-UHFFFAOYSA-N -1 0 325.474 3.005 20 30 EGEDRM C=CC[C@@H]1N(S(=O)(=O)c2cc(C(=O)[O-])cs2)CCCC1(C)C ZINC000435469344 458153355 /nfs/dbraw/zinc/15/33/55/458153355.db2.gz UQEOACKFINCRHN-LBPRGKRZSA-N -1 0 343.470 3.202 20 30 EGEDRM CC(C)Nc1cccc(F)c1[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435492862 458154897 /nfs/dbraw/zinc/15/48/97/458154897.db2.gz YOXZAORRLPPUNZ-UHFFFAOYSA-N -1 0 339.417 3.380 20 30 EGEDRM N#Cc1cccc([C@@H]2CN(C(=O)c3ccc([O-])c(Cl)c3)CCO2)c1 ZINC000369368881 458191943 /nfs/dbraw/zinc/19/19/43/458191943.db2.gz IJNZZCJSMUQGEI-KRWDZBQOSA-N -1 0 342.782 3.131 20 30 EGEDRM CCSc1ccc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)cn1 ZINC000429578038 458349894 /nfs/dbraw/zinc/34/98/94/458349894.db2.gz HUSRXCUNKZQLQR-GFCCVEGCSA-N -1 0 337.408 3.263 20 30 EGEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1ccccc1O[C@H](C)C(F)(F)F ZINC000416958080 458358102 /nfs/dbraw/zinc/35/81/02/458358102.db2.gz LMEFZXKBVYGATR-NXEZZACHSA-N -1 0 336.335 3.060 20 30 EGEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(Cl)cc1OCC(F)F ZINC000416953295 458358226 /nfs/dbraw/zinc/35/82/26/458358226.db2.gz HPZULAZVVIJVEZ-SECBINFHSA-N -1 0 338.763 3.028 20 30 EGEDRM N#CC1(NC(=O)c2cc(F)cc(Br)c2[O-])CCCCC1 ZINC000436850221 458393045 /nfs/dbraw/zinc/39/30/45/458393045.db2.gz ZVOVDANTYBVFFJ-UHFFFAOYSA-N -1 0 341.180 3.250 20 30 EGEDRM N#CCC1(CS(=O)(=O)[N-][C@H](C2CCCCC2)C(F)(F)F)CC1 ZINC000451389024 458476159 /nfs/dbraw/zinc/47/61/59/458476159.db2.gz OSIBAXUEWOVAMU-GFCCVEGCSA-N -1 0 338.395 3.111 20 30 EGEDRM Cc1ccc(C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)c(Cl)c1Cl ZINC000451726588 458486387 /nfs/dbraw/zinc/48/63/87/458486387.db2.gz PBQVREHRJQIBCK-UHFFFAOYSA-N -1 0 335.194 3.448 20 30 EGEDRM C=CCOc1cc(OC)ccc1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000431187108 458541191 /nfs/dbraw/zinc/54/11/91/458541191.db2.gz MNGFSNHVPFHBOJ-UHFFFAOYSA-N -1 0 327.336 3.211 20 30 EGEDRM CCC(CC)(CNC(=O)Nc1ccc(CC#N)cc1Cl)C(=O)[O-] ZINC000424389466 458632713 /nfs/dbraw/zinc/63/27/13/458632713.db2.gz KXBSWRVQWQCOSW-UHFFFAOYSA-N -1 0 337.807 3.419 20 30 EGEDRM C=CCOc1cccnc1C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000432002448 458659748 /nfs/dbraw/zinc/65/97/48/458659748.db2.gz VUOSCCHBWKBWCQ-ZDUSSCGKSA-N -1 0 340.379 3.162 20 30 EGEDRM C=CCN(Cc1ccccc1)C(=O)N=c1[n-]nc(SCC)s1 ZINC000515108526 458805398 /nfs/dbraw/zinc/80/53/98/458805398.db2.gz SPJOGSZSNHFUQV-UHFFFAOYSA-N -1 0 334.470 3.292 20 30 EGEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000473479859 458830297 /nfs/dbraw/zinc/83/02/97/458830297.db2.gz CTSKQHWSHZWUHT-UHFFFAOYSA-N -1 0 342.829 3.391 20 30 EGEDRM Cc1cc(C(C#N)=C([O-])c2ccn(CCc3ccccc3)n2)nc(C)n1 ZINC000517689960 458830735 /nfs/dbraw/zinc/83/07/35/458830735.db2.gz CFGOLBQCLPCVMA-KRWDZBQOSA-N -1 0 345.406 3.023 20 30 EGEDRM C=CCOc1ccc(CNC(=O)N=c2[n-]nc(CCCC)s2)cc1 ZINC000554052273 458897269 /nfs/dbraw/zinc/89/72/69/458897269.db2.gz IXUTUMQBRQDSKH-UHFFFAOYSA-N -1 0 346.456 3.189 20 30 EGEDRM C=CCCC(=O)NCCc1c(CC)[n-]n(Cc2ccccc2C)c1=O ZINC000555294194 458905962 /nfs/dbraw/zinc/90/59/62/458905962.db2.gz ZHWRUPDKJVJFPO-KRWDZBQOSA-N -1 0 341.455 3.192 20 30 EGEDRM C[C@@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)C1CCCCC1 ZINC000467138274 458953930 /nfs/dbraw/zinc/95/39/30/458953930.db2.gz JPTLFBOHRLRHRI-SNVBAGLBSA-N -1 0 328.384 3.084 20 30 EGEDRM C=CCCCCNC(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000556707733 458994099 /nfs/dbraw/zinc/99/40/99/458994099.db2.gz DATFGJJVJZVZAK-ZDUSSCGKSA-N -1 0 328.771 3.260 20 30 EGEDRM Cc1c([N-]S(=O)(=O)c2ccc(C#N)cc2F)cnn1C1CCCC1 ZINC000566893357 459017094 /nfs/dbraw/zinc/01/70/94/459017094.db2.gz RWXJOQCFIHTHRJ-UHFFFAOYSA-N -1 0 348.403 3.118 20 30 EGEDRM N#Cc1cnc2ccc(Cl)cc2c1N1CCC[C@@H](CC(=O)[O-])C1 ZINC000557073812 459047108 /nfs/dbraw/zinc/04/71/08/459047108.db2.gz QRUBQCXCDMVMHA-NSHDSACASA-N -1 0 329.787 3.451 20 30 EGEDRM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2cc(CC#N)ccn2)c(C)c1C ZINC000532417100 459085320 /nfs/dbraw/zinc/08/53/20/459085320.db2.gz OGXOINLVTBJJTE-UHFFFAOYSA-N -1 0 343.452 3.491 20 30 EGEDRM N#CC(=C([O-])c1cc2ccncc2s1)c1nnc2n1CCCCC2 ZINC000567341609 459088805 /nfs/dbraw/zinc/08/88/05/459088805.db2.gz CPZOQZLIZJVLGM-LBPRGKRZSA-N -1 0 337.408 3.104 20 30 EGEDRM C=CCOc1cccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])c1 ZINC000567502581 459116877 /nfs/dbraw/zinc/11/68/77/459116877.db2.gz CUNGAZRHGNKSTR-KRWDZBQOSA-N -1 0 340.379 3.069 20 30 EGEDRM C=CCCSCCNC(=O)N[C@@H](C(=O)[O-])c1cccc(C)c1C ZINC000594690647 459131409 /nfs/dbraw/zinc/13/14/09/459131409.db2.gz MONMSKHBTINZGB-OAHLLOKOSA-N -1 0 336.457 3.038 20 30 EGEDRM N#CC1(C(=O)Nc2n[nH]c(-c3ccc4ccccc4n3)n2)CCCC1 ZINC000590556220 459148157 /nfs/dbraw/zinc/14/81/57/459148157.db2.gz BAUTZAWTRYOLEE-UHFFFAOYSA-N -1 0 332.367 3.042 20 30 EGEDRM C=C[C@H](CCC(=O)[O-])NC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000578319089 459180999 /nfs/dbraw/zinc/18/09/99/459180999.db2.gz KZTMZUKWANEOIH-QGZVFWFLSA-N -1 0 330.428 3.070 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)N2CC[C@H](C3CCCC3)C2)cc1C#N ZINC000521992576 459201946 /nfs/dbraw/zinc/20/19/46/459201946.db2.gz REOPUKUZZFBFAS-LBPRGKRZSA-N -1 0 331.441 3.033 20 30 EGEDRM CC(N=Nc1ccc(F)c(C(=O)[O-])c1)[C@@H](C)NC(=O)OC(C)(C)C ZINC000496523783 459225962 /nfs/dbraw/zinc/22/59/62/459225962.db2.gz KRYYZBDYMHNUPK-SECBINFHSA-N -1 0 339.367 3.225 20 30 EGEDRM N#Cc1ccc(CN(C(=O)NCc2cccc(C(=O)[O-])c2)C2CC2)cc1 ZINC000591269889 459344936 /nfs/dbraw/zinc/34/49/36/459344936.db2.gz IVRIJOSJZUCYSY-UHFFFAOYSA-N -1 0 349.390 3.131 20 30 EGEDRM CCc1csc(-n2cc(C([O-])=C(C#N)c3nc(C)cs3)cn2)n1 ZINC000535683316 459355841 /nfs/dbraw/zinc/35/58/41/459355841.db2.gz GAEVRGORAFOJMZ-LBPRGKRZSA-N -1 0 343.437 3.146 20 30 EGEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)CC1(CC(=O)[O-])CCC1 ZINC000591531356 459396767 /nfs/dbraw/zinc/39/67/67/459396767.db2.gz UWODEJGWYHOBPX-UHFFFAOYSA-N -1 0 330.384 3.319 20 30 EGEDRM N#Cc1cc2c(nc1N1C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C1)CCCC2 ZINC000595977540 459490827 /nfs/dbraw/zinc/49/08/27/459490827.db2.gz GPEDXLXEPARMJE-ZWKOTPCHSA-N -1 0 347.418 3.137 20 30 EGEDRM C=CCOc1ccc(C(=O)NC[C@@H](C(=O)[O-])c2ccc(C)cc2)cc1 ZINC000486373451 459499888 /nfs/dbraw/zinc/49/98/88/459499888.db2.gz MZYAXMSRORZUDH-GOSISDBHSA-N -1 0 339.391 3.158 20 30 EGEDRM COc1cccc2c(C(=O)N(CCC#N)c3ccc(F)cc3)[nH]nc21 ZINC000583238887 459505397 /nfs/dbraw/zinc/50/53/97/459505397.db2.gz TVSQUMADLXABHZ-UHFFFAOYSA-N -1 0 338.342 3.271 20 30 EGEDRM CCc1nc(C#N)cc(Sc2n[n-]c(=NC3CCCCC3)s2)n1 ZINC000596069019 459508053 /nfs/dbraw/zinc/50/80/53/459508053.db2.gz ILLSTDQMEVYQJF-UHFFFAOYSA-N -1 0 346.485 3.080 20 30 EGEDRM CC(=O)c1cc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)c(C)nc1C ZINC000486990198 459525301 /nfs/dbraw/zinc/52/53/01/459525301.db2.gz WEJBQMWRMYJDQH-OAHLLOKOSA-N -1 0 332.363 3.267 20 30 EGEDRM C=CCC(=C(O)Nc1nc(-c2cccnc2)ns1)c1ccccc1 ZINC000489656403 459569666 /nfs/dbraw/zinc/56/96/66/459569666.db2.gz OWRPCPASAOVMJW-HNNXBMFYSA-N -1 0 336.420 3.320 20 30 EGEDRM Cc1ccc(F)c(-n2cc([O-])c(C(=O)NCC(C)(C)CCC#N)n2)c1 ZINC000489899957 459572648 /nfs/dbraw/zinc/57/26/48/459572648.db2.gz SEAWBJZPUKYVJT-UHFFFAOYSA-N -1 0 344.390 3.085 20 30 EGEDRM COc1cc(C)c([N-]S(=O)(=O)c2ccc(C#N)cc2F)c(C)c1C ZINC000573160433 459635088 /nfs/dbraw/zinc/63/50/88/459635088.db2.gz HDVQUSCYTLFPJH-UHFFFAOYSA-N -1 0 348.399 3.432 20 30 EGEDRM C=CCC[C@H](NC(=O)Nc1cccc(-n2nc(C)cc2C)c1)C(=O)[O-] ZINC000573182054 459638313 /nfs/dbraw/zinc/63/83/13/459638313.db2.gz RHWHYFZRVUOXHU-INIZCTEOSA-N -1 0 342.399 3.030 20 30 EGEDRM C=CC1CCN(S(=O)(=O)c2ccc3oc(C(=O)[O-])c(C)c3c2)CC1 ZINC000564920746 459779715 /nfs/dbraw/zinc/77/97/15/459779715.db2.gz YLVYHLAOWZEMSW-UHFFFAOYSA-N -1 0 349.408 3.026 20 30 EGEDRM Cc1cn(C2CCCCC2)nc1[N-]S(=O)(=O)CCC(C)(C)C#N ZINC000565426466 459783724 /nfs/dbraw/zinc/78/37/24/459783724.db2.gz HKQGFAUFGVNQQY-UHFFFAOYSA-N -1 0 338.477 3.378 20 30 EGEDRM CCCn1ncc([N-]S(=O)(=O)c2ccc(C#N)cc2C)c1C1CC1 ZINC000584761784 459797765 /nfs/dbraw/zinc/79/77/65/459797765.db2.gz UOLBTILURQIHNF-UHFFFAOYSA-N -1 0 344.440 3.151 20 30 EGEDRM CC[C@@H](c1n[n-]c(=NC(=O)c2ccc(C#N)cn2)s1)c1ccccc1 ZINC000609343568 459948465 /nfs/dbraw/zinc/94/84/65/459948465.db2.gz WNMXZKYLPZHKDY-CQSZACIVSA-N -1 0 349.419 3.021 20 30 EGEDRM Cc1[n-][nH]c(=NC(=O)c2sc3cccc(C)c3c2Cl)c1C#N ZINC000588717579 459974341 /nfs/dbraw/zinc/97/43/41/459974341.db2.gz RQJXQZYQAFERRN-UHFFFAOYSA-N -1 0 330.800 3.441 20 30 EGEDRM CC(C)[C@@H](CNC(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1)C(=O)[O-] ZINC000593958424 460027984 /nfs/dbraw/zinc/02/79/84/460027984.db2.gz WHAHEVGEMCZORD-CQSZACIVSA-N -1 0 347.415 3.214 20 30 EGEDRM C[C@@H]1CN(C(=O)N[C@@H](CCCC#N)c2ccccc2)CC[C@@H]1C(=O)[O-] ZINC000599863982 460351404 /nfs/dbraw/zinc/35/14/04/460351404.db2.gz KFVJWPGWELQIMF-PVAVHDDUSA-N -1 0 343.427 3.174 20 30 EGEDRM N#C[C@H](Cc1ccccc1)Sc1n[n-]c(=NCC(F)(F)F)s1 ZINC000604508393 460438160 /nfs/dbraw/zinc/43/81/60/460438160.db2.gz YKJUOVZSTCTLAN-JTQLQIEISA-N -1 0 344.387 3.161 20 30 EGEDRM C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H]1CCC[C@H]1C(=O)[O-] ZINC000601987404 460972796 /nfs/dbraw/zinc/97/27/96/460972796.db2.gz WVCQCADFLNSSOT-JHJVBQTASA-N -1 0 332.425 3.378 20 30 EGEDRM C=C(C)C[C@H](NC(=O)[C@H](C)Sc1ccccc1Cl)C(=O)[O-] ZINC000630319239 461093903 /nfs/dbraw/zinc/09/39/03/461093903.db2.gz WISXTHQCSGOHAB-JQWIXIFHSA-N -1 0 327.833 3.356 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)c1ccc(OC2CCCC2)c(OC)c1)C(=O)[O-] ZINC000630326999 461096344 /nfs/dbraw/zinc/09/63/44/461096344.db2.gz UWSABNGFDDCJOT-OAHLLOKOSA-N -1 0 347.411 3.166 20 30 EGEDRM C=C(C)COc1cc(CN=c2[n-]nc([C@@H]3C[C@H]3C)o2)ccc1OC ZINC000630962838 461444597 /nfs/dbraw/zinc/44/45/97/461444597.db2.gz SSGPQAZYODJIMR-TZMCWYRMSA-N -1 0 329.400 3.191 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2cn(-c3ccc(Cl)cc3)nn2)n1 ZINC000642281722 461485575 /nfs/dbraw/zinc/48/55/75/461485575.db2.gz DTUPXJIEDSASMA-LBPRGKRZSA-N -1 0 343.799 3.176 20 30 EGEDRM Cn1cc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)c(C2CC2)n1 ZINC000643777971 461802844 /nfs/dbraw/zinc/80/28/44/461802844.db2.gz FELYEELCIYWGAC-NSHDSACASA-N -1 0 334.301 3.201 20 30 EGEDRM CSc1cc(C([O-])=C(C#N)c2nnc3n2CCCCC3)ccc1F ZINC000155607940 546904469 /nfs/dbraw/zinc/90/44/69/546904469.db2.gz XNHHFUMMFXALGO-GFCCVEGCSA-N -1 0 344.415 3.356 20 30 EGEDRM Cn1cc(C(=O)N[C@@H]2CCCN=C2[O-])c(-c2ccc(Cl)s2)n1 ZINC000330020873 547511447 /nfs/dbraw/zinc/51/14/47/547511447.db2.gz WZCAMBLTKLTWGO-SECBINFHSA-N -1 0 338.820 3.226 20 30 EGEDRM CCCn1cc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)nn1 ZINC000678028107 549379500 /nfs/dbraw/zinc/37/95/00/549379500.db2.gz LNRCLUCUXHAENR-SNVBAGLBSA-N -1 0 345.815 3.441 20 30 EGEDRM COc1ccc(O)c(C=Nc2ccc(OCCCC(=O)[O-])cc2)c1 ZINC000738042396 574552537 /nfs/dbraw/zinc/55/25/37/574552537.db2.gz UZJVXBPVCFGLMZ-UHFFFAOYSA-N -1 0 329.352 3.395 20 30 EGEDRM CC(C)(C)c1nc(C([O-])=C(C#N)C(=O)NC2CCCCC2)cs1 ZINC000726732867 574568653 /nfs/dbraw/zinc/56/86/53/574568653.db2.gz LNHYSYMVMSMBEE-LBPRGKRZSA-N -1 0 333.457 3.212 20 30 EGEDRM COc1cc(/C=C\C(=O)c2csc(C(=O)[O-])c2)cc2c1OCCO2 ZINC000730150137 574925498 /nfs/dbraw/zinc/92/54/98/574925498.db2.gz OWTDTRGRHUPWTM-IHWYPQMZSA-N -1 0 346.360 3.122 20 30 EGEDRM COc1cc(/C=C2\Cc3ccc(C)cc3C2=O)ccc1OCC(=O)[O-] ZINC000730948471 575038611 /nfs/dbraw/zinc/03/86/11/575038611.db2.gz FUOXVDYAMRHBHW-OVCLIPMQSA-N -1 0 338.359 3.289 20 30 EGEDRM O=C([O-])COc1cccc(C=NNc2cccc(Br)c2)c1 ZINC000733203630 575319749 /nfs/dbraw/zinc/31/97/49/575319749.db2.gz SZVYWHJRIDWPEZ-UHFFFAOYSA-N -1 0 349.184 3.359 20 30 EGEDRM COc1ccc(C(=O)/C=C\c2cccc(OCC(=O)[O-])c2)cc1OC ZINC000733205455 575319971 /nfs/dbraw/zinc/31/99/71/575319971.db2.gz WKAZWCYZIAZVQC-VURMDHGXSA-N -1 0 342.347 3.063 20 30 EGEDRM C#CCOc1ccc(NC(=O)Nc2ccc(CNC(=O)[O-])cc2)cc1 ZINC000736090194 575898033 /nfs/dbraw/zinc/89/80/33/575898033.db2.gz XFNUKRKKCWGZHJ-UHFFFAOYSA-N -1 0 339.351 3.110 20 30 EGEDRM C=CC[C@@H](NC(=O)c1[nH]c(CC)c(C(=O)[O-])c1C)c1ccncc1 ZINC000736097058 575899213 /nfs/dbraw/zinc/89/92/13/575899213.db2.gz VZDFSNAPPUFOEO-CQSZACIVSA-N -1 0 327.384 3.026 20 30 EGEDRM CC(=O)Nc1ccc(S[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000736166195 575906492 /nfs/dbraw/zinc/90/64/92/575906492.db2.gz YHELPDJHHJVIDQ-MRXNPFEDSA-N -1 0 326.377 3.435 20 30 EGEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(C(=O)[O-])cn1 ZINC000736201090 575914610 /nfs/dbraw/zinc/91/46/10/575914610.db2.gz GEDCJAZDYLTYOP-NSHDSACASA-N -1 0 341.392 3.284 20 30 EGEDRM CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2ccc(C(=O)[O-])cn2)cc1 ZINC000736297862 575929148 /nfs/dbraw/zinc/92/91/48/575929148.db2.gz VNOYHBXACVEGSO-MRXNPFEDSA-N -1 0 337.379 3.072 20 30 EGEDRM CC(C)(NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)C(=O)[O-] ZINC000736339223 575937760 /nfs/dbraw/zinc/93/77/60/575937760.db2.gz NKRNLTQAAUXXLU-UHFFFAOYSA-N -1 0 338.363 3.138 20 30 EGEDRM C[C@@H](COc1cccc(C#N)c1)OC(=O)c1ccc(NC(=O)[O-])cc1 ZINC000736616034 575989590 /nfs/dbraw/zinc/98/95/90/575989590.db2.gz PCRCLEOOMDNVAJ-LBPRGKRZSA-N -1 0 340.335 3.272 20 30 EGEDRM CC[C@H](Cc1ccccc1)C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736904321 576058502 /nfs/dbraw/zinc/05/85/02/576058502.db2.gz SBFGAHCOYGADNB-AEFFLSMTSA-N -1 0 337.375 3.496 20 30 EGEDRM CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000737451503 576231543 /nfs/dbraw/zinc/23/15/43/576231543.db2.gz OHKZTMCDYOPLOJ-UHFFFAOYSA-N -1 0 337.379 3.239 20 30 EGEDRM COc1cc(C=NOCc2cc(C(=O)[O-])co2)cc(Cl)c1OC ZINC000737878481 576269147 /nfs/dbraw/zinc/26/91/47/576269147.db2.gz KNHRCHWRGKPGSW-UHFFFAOYSA-N -1 0 339.731 3.199 20 30 EGEDRM Cc1cc(/C=C\C(=O)N(CC#N)CC(=O)[O-])c(C)n1C1CCCCC1 ZINC000738378206 576319862 /nfs/dbraw/zinc/31/98/62/576319862.db2.gz BZKNRXUFOKNLLF-HJWRWDBZSA-N -1 0 343.427 3.060 20 30 EGEDRM Cc1cc(CN=Nc2c(F)cccc2F)cc(C)c1OCC(=O)[O-] ZINC000738379866 576319894 /nfs/dbraw/zinc/31/98/94/576319894.db2.gz UDMZGBWBLOCUFA-UHFFFAOYSA-N -1 0 334.322 3.491 20 30 EGEDRM Cc1cc(C=NNCc2ccc(F)cc2F)cc(C)c1OCC(=O)[O-] ZINC000738380308 576320124 /nfs/dbraw/zinc/32/01/24/576320124.db2.gz YZLIHQVVWNQQKX-UHFFFAOYSA-N -1 0 348.349 3.169 20 30 EGEDRM N#CCCN(CCC#N)Cc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000739072539 576376780 /nfs/dbraw/zinc/37/67/80/576376780.db2.gz IJHARFLSVUGDDU-UHFFFAOYSA-N -1 0 340.408 3.138 20 30 EGEDRM N#CC(C(=O)CCCNC(=O)[O-])c1nc2cc(Cl)ccc2s1 ZINC000739074902 576376901 /nfs/dbraw/zinc/37/69/01/576376901.db2.gz NGAIADOIVGCSOQ-SECBINFHSA-N -1 0 337.788 3.174 20 30 EGEDRM N#CCCSc1ccccc1NC(=O)c1ccc(C(=O)[O-])nc1 ZINC000739075725 576376981 /nfs/dbraw/zinc/37/69/81/576376981.db2.gz MPHQGOZUNMBUPK-UHFFFAOYSA-N -1 0 327.365 3.038 20 30 EGEDRM N#CCc1ccccc1C(=O)O[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000739091596 576377509 /nfs/dbraw/zinc/37/75/09/576377509.db2.gz GTHXLFBMICWQFI-HNNXBMFYSA-N -1 0 329.739 3.389 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)CCc2cc(F)ccc2F)C(=O)[O-])cc1 ZINC000739109893 576378440 /nfs/dbraw/zinc/37/84/40/576378440.db2.gz OCMTVQDXMRZYRP-KRWDZBQOSA-N -1 0 345.301 3.138 20 30 EGEDRM N#Cc1ccc(COC(=O)CCc2ccc(C(=O)[O-])cc2)c(F)c1 ZINC000739117406 576378930 /nfs/dbraw/zinc/37/89/30/576378930.db2.gz DZTWZFHEEUNINW-UHFFFAOYSA-N -1 0 327.311 3.072 20 30 EGEDRM N#Cc1ccc(Oc2ccc(NC(=O)CCCNC(=O)[O-])cc2)cc1 ZINC000739130979 576379342 /nfs/dbraw/zinc/37/93/42/576379342.db2.gz ZGYYFBOISRSQFN-UHFFFAOYSA-N -1 0 339.351 3.337 20 30 EGEDRM O=C([O-])NCCCC(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC000739959891 576524972 /nfs/dbraw/zinc/52/49/72/576524972.db2.gz FTQFUEDCZZPLPB-UHFFFAOYSA-N -1 0 328.393 3.134 20 30 EGEDRM O=C([O-])c1cc(F)ccc1CON=Cc1c(Cl)nc2ccccn21 ZINC000740078324 576544208 /nfs/dbraw/zinc/54/42/08/576544208.db2.gz SGDMVTQYRLVMSW-UHFFFAOYSA-N -1 0 347.733 3.376 20 30 EGEDRM COc1ccc(/C=C\C(=O)c2cccc(O[C@@H](C)C(=O)[O-])c2)cc1 ZINC000745020067 576838613 /nfs/dbraw/zinc/83/86/13/576838613.db2.gz BBNYBJHSJVKRIX-ZWXCPPHNSA-N -1 0 326.348 3.443 20 30 EGEDRM C[C@H](Oc1cccc(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)c1)C(=O)[O-] ZINC000745020432 576838716 /nfs/dbraw/zinc/83/87/16/576838716.db2.gz FDPCFWJYFUAWHM-UMAGTOLTSA-N -1 0 341.319 3.343 20 30 EGEDRM C=CCCCC(=O)N[C@@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC000825671114 601434921 /nfs/dbraw/zinc/43/49/21/601434921.db2.gz CUAWXKSUVPUOQS-ZDUSSCGKSA-N -1 0 340.217 3.437 20 30 EGEDRM CN(CCC(=O)[O-])C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000737991272 597011199 /nfs/dbraw/zinc/01/11/99/597011199.db2.gz APHGXMIXSSJCCA-UHFFFAOYSA-N -1 0 342.326 3.036 20 30 EGEDRM N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCC(=O)[O-])cc1Cl ZINC000819084363 597491110 /nfs/dbraw/zinc/49/11/10/597491110.db2.gz NLQNHKXZGUQLGG-AWEZNQCLSA-N -1 0 343.770 3.202 20 30 EGEDRM C[C@H](C#N)Oc1ccccc1NC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000819874612 597651554 /nfs/dbraw/zinc/65/15/54/597651554.db2.gz NIYHAHMPVYPCDS-GFCCVEGCSA-N -1 0 339.351 3.249 20 30 EGEDRM CC(C)(C)n1cc(C=NNCCC(=O)[O-])c(-c2ccccc2Cl)n1 ZINC000819940454 597739999 /nfs/dbraw/zinc/73/99/99/597739999.db2.gz GILMNTSTELMORH-UHFFFAOYSA-N -1 0 348.834 3.357 20 30 EGEDRM Cc1nc(NC(=O)c2ccc(C(=O)[O-])cc2)sc1SCC#N ZINC000821175938 598155179 /nfs/dbraw/zinc/15/51/79/598155179.db2.gz AQYVLMHASYNTIQ-UHFFFAOYSA-N -1 0 333.394 3.018 20 30 EGEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H]1C(=O)[O-] ZINC000819874651 598206765 /nfs/dbraw/zinc/20/67/65/598206765.db2.gz OBPNXICWVJMVTE-AAEUAGOBSA-N -1 0 333.413 3.019 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NCC1CCC(c2ccccc2)CC1 ZINC000819835234 598226890 /nfs/dbraw/zinc/22/68/90/598226890.db2.gz UJSUIYIQFGCAIW-GSQSYGFSSA-N -1 0 328.412 3.081 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NCC1CCC(c2ccccc2)CC1 ZINC000819835235 598226953 /nfs/dbraw/zinc/22/69/53/598226953.db2.gz UJSUIYIQFGCAIW-KJXMEXGPSA-N -1 0 328.412 3.081 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(OC2CCCCC2)cc1 ZINC000819855879 598227916 /nfs/dbraw/zinc/22/79/16/598227916.db2.gz DRXSKXLAJDEDTP-SFHVURJKSA-N -1 0 330.384 3.341 20 30 EGEDRM N#CC1CCN(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)CC1 ZINC000739065889 599822943 /nfs/dbraw/zinc/82/29/43/599822943.db2.gz DLERMRZRBOOWHO-UHFFFAOYSA-N -1 0 347.440 3.162 20 30 EGEDRM N#CCc1cccc(C(=O)N[C@H](CC(=O)[O-])c2cccc(Cl)c2)c1 ZINC000776676415 600800384 /nfs/dbraw/zinc/80/03/84/600800384.db2.gz FZKPSRYVWPTASS-MRXNPFEDSA-N -1 0 342.782 3.352 20 30 EGEDRM CCN(Cc1csc(-c2cccc(C(=O)[O-])c2)n1)C[C@H](C)C#N ZINC000829734472 600822124 /nfs/dbraw/zinc/82/21/24/600822124.db2.gz CDOLCQLCPVHVPO-GFCCVEGCSA-N -1 0 329.425 3.490 20 30 EGEDRM C=CCOc1ccc(C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)cc1 ZINC000327182269 600862809 /nfs/dbraw/zinc/86/28/09/600862809.db2.gz WDOBVPGXEVTLIY-OAHLLOKOSA-N -1 0 337.375 3.470 20 30 EGEDRM C#CCOc1ccccc1CNC(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000825631826 601137664 /nfs/dbraw/zinc/13/76/64/601137664.db2.gz NHETZKUNNAGNHG-UHFFFAOYSA-N -1 0 338.363 3.027 20 30 EGEDRM C[C@H](C(=O)[O-])[C@@H](NC(=O)/C=C/c1ccccc1C#N)c1ccccc1 ZINC000826027523 601170278 /nfs/dbraw/zinc/17/02/78/601170278.db2.gz XHDABQJNCVJHBY-GBGXESKGSA-N -1 0 334.375 3.150 20 30 EGEDRM O=C([O-])c1cccc(C(=O)OCC#Cc2ccc(C(F)(F)F)cc2)n1 ZINC000833328884 601174617 /nfs/dbraw/zinc/17/46/17/601174617.db2.gz XVAKMBZKHKEGKL-UHFFFAOYSA-N -1 0 349.264 3.007 20 30 EGEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccnc(C(=O)[O-])c1 ZINC000825967713 601285888 /nfs/dbraw/zinc/28/58/88/601285888.db2.gz ZEOODEQMWZPXHS-NSHDSACASA-N -1 0 341.392 3.284 20 30 EGEDRM Cc1cc(COC(=O)c2ccccc2SCC#N)oc1C(=O)[O-] ZINC000832885497 601303706 /nfs/dbraw/zinc/30/37/06/601303706.db2.gz ORULNCWHGGNJPF-UHFFFAOYSA-N -1 0 331.349 3.259 20 30 EGEDRM O=C([O-])c1ccc(CN=Nc2nc(C(F)(F)F)nc3ccccc32)[nH]1 ZINC000749809445 601335993 /nfs/dbraw/zinc/33/59/93/601335993.db2.gz FPYWCZOHUWIVRW-UHFFFAOYSA-N -1 0 349.272 3.121 20 30 EGEDRM N#Cc1cccc([C@H](OC(=O)c2cc(Cl)ccc2F)C(=O)[O-])c1 ZINC000833077614 601346398 /nfs/dbraw/zinc/34/63/98/601346398.db2.gz XODNOQNARURJTP-AWEZNQCLSA-N -1 0 333.702 3.333 20 30 EGEDRM C[C@@H](SCC(=O)Nc1ccccc1SC[C@@H](C)C#N)C(=O)[O-] ZINC000825967662 601346721 /nfs/dbraw/zinc/34/67/21/601346721.db2.gz YAXHCALMNRCALW-WDEREUQCSA-N -1 0 338.454 3.083 20 30 EGEDRM N#Cc1cc2ccccc2nc1NCCOc1ccc(C(=O)[O-])cc1 ZINC000833071130 601409864 /nfs/dbraw/zinc/40/98/64/601409864.db2.gz XKPVVKQHPHTUIJ-UHFFFAOYSA-N -1 0 333.347 3.296 20 30 EGEDRM Cc1c(C(=O)[O-])c2cc(OC(=O)Cc3cccc(C#N)c3)ccc2n1C ZINC000832852317 601452048 /nfs/dbraw/zinc/45/20/48/601452048.db2.gz RSCMXPYDWYFHKP-UHFFFAOYSA-N -1 0 348.358 3.205 20 30 EGEDRM N#Cc1ccc([C@@H](OC(=O)C2(Cc3ccccc3)CC2)C(=O)[O-])cc1 ZINC000833072560 601683878 /nfs/dbraw/zinc/68/38/78/601683878.db2.gz ODLIFRAKWJHGSZ-QGZVFWFLSA-N -1 0 335.359 3.250 20 30 EGEDRM Cc1sc(C(=O)[O-])cc1COC(=O)/C=C/c1ccccc1C#N ZINC000833030943 601721097 /nfs/dbraw/zinc/72/10/97/601721097.db2.gz FDFAVYMADZLIAK-VOTSOKGWSA-N -1 0 327.361 3.383 20 30 EGEDRM N#Cc1cccc([C@@H](OC(=O)c2cc(F)cc(Cl)c2)C(=O)[O-])c1 ZINC000833077619 601745500 /nfs/dbraw/zinc/74/55/00/601745500.db2.gz XQWJNECNLKHZPF-CQSZACIVSA-N -1 0 333.702 3.333 20 30 EGEDRM N#Cc1ccccc1/C=C\C(=O)Nc1nc(CCCC(=O)[O-])cs1 ZINC000833074831 601748759 /nfs/dbraw/zinc/74/87/59/601748759.db2.gz FHNKWKZQEOKBKG-HJWRWDBZSA-N -1 0 341.392 3.074 20 30 EGEDRM C=CCSCCNC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000825702874 601990138 /nfs/dbraw/zinc/99/01/38/601990138.db2.gz YVKLHXJKCYHTDT-UHFFFAOYSA-N -1 0 348.346 3.444 20 30 EGEDRM N#CC1(NC(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)CCCC1 ZINC000833064207 602003277 /nfs/dbraw/zinc/00/32/77/602003277.db2.gz GEJQELCTNDWYOT-UHFFFAOYSA-N -1 0 341.289 3.361 20 30 EGEDRM C[C@]1(C(=O)[O-])CCN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)C1 ZINC000828016746 602036189 /nfs/dbraw/zinc/03/61/89/602036189.db2.gz WMJQDCPTLMKKCI-FQEVSTJZSA-N -1 0 349.390 3.239 20 30 EGEDRM Cc1cc(/C=C\C(=O)c2ccc(OCC(=O)[O-])cc2)cnc1Cl ZINC000832881893 602099323 /nfs/dbraw/zinc/09/93/23/602099323.db2.gz VVBASPJUOVKMBP-UQCOIBPSSA-N -1 0 331.755 3.403 20 30 EGEDRM COc1cc(C(=O)/C=C\c2ccc(O[C@@H](C)C(=O)[O-])cc2)ccc1O ZINC000794695514 602106655 /nfs/dbraw/zinc/10/66/55/602106655.db2.gz PCDQHLUZTJBBPN-LRAPTIAOSA-N -1 0 342.347 3.149 20 30 EGEDRM C[C@@H](OC1CCCCCC1)C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000827873197 602264828 /nfs/dbraw/zinc/26/48/28/602264828.db2.gz DXCYPOOKRDWIBW-DYVFJYSZSA-N -1 0 345.395 3.355 20 30 EGEDRM C[C@@H](NC(=O)Nc1ccc(C(=O)[O-])c(F)c1)c1cccc(C#N)c1 ZINC000827672153 602385698 /nfs/dbraw/zinc/38/56/98/602385698.db2.gz RIXZNLKCGZHTNR-SNVBAGLBSA-N -1 0 327.315 3.278 20 30 EGEDRM N#Cc1cccc(-c2nnc(COc3ccc(NC(=O)[O-])cc3)o2)c1 ZINC000831145882 603157201 /nfs/dbraw/zinc/15/72/01/603157201.db2.gz DJLMEEXHHAYAFW-UHFFFAOYSA-N -1 0 336.307 3.277 20 30 EGEDRM N#CCCN(C(=O)c1ccc(C(=O)[O-])c(F)c1)c1ccc(F)cc1 ZINC000833065422 604311621 /nfs/dbraw/zinc/31/16/21/604311621.db2.gz BXFAZYIOWWFJKY-UHFFFAOYSA-N -1 0 330.290 3.223 20 30 EGEDRM Cc1cc([C@H](C)OC(=O)CCc2ccc(C#N)cc2)oc1C(=O)[O-] ZINC000832872720 604558811 /nfs/dbraw/zinc/55/88/11/604558811.db2.gz VCFHFJBMIFVZHJ-LBPRGKRZSA-N -1 0 327.336 3.395 20 30 EGEDRM C=C(C)[C@H](CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1C(=O)[O-])OCC ZINC000833366863 604560412 /nfs/dbraw/zinc/56/04/12/604560412.db2.gz DRLCKEBOZKSYDC-IKGGRYGDSA-N -1 0 337.460 3.240 20 30 EGEDRM Cc1cc([C@@H](C)OC(=O)c2ccccc2OCC#N)oc1C(=O)[O-] ZINC000832873428 604573018 /nfs/dbraw/zinc/57/30/18/604573018.db2.gz CJGSVZPBUJHGKU-LLVKDONJSA-N -1 0 329.308 3.107 20 30 EGEDRM C[C@@H]1CN(Cc2cccc(C(=O)[O-])c2C#N)[C@H](c2ccccc2)CO1 ZINC000833628837 604610264 /nfs/dbraw/zinc/61/02/64/604610264.db2.gz BQYNMXSWXCOFSC-KUHUBIRLSA-N -1 0 336.391 3.218 20 30 EGEDRM N#Cc1ccc(C(F)(F)F)nc1N(CCC(=O)[O-])Cc1ccccc1 ZINC000692457074 604631876 /nfs/dbraw/zinc/63/18/76/604631876.db2.gz ZKUFWCYMABKXQF-UHFFFAOYSA-N -1 0 349.312 3.453 20 30 EGEDRM C=CCNc1ncc(C(=O)Nc2ccc(CCC(=O)[O-])cc2)s1 ZINC000825692049 604741262 /nfs/dbraw/zinc/74/12/62/604741262.db2.gz GDBIAQZBAYRCRT-UHFFFAOYSA-N -1 0 331.397 3.011 20 30 EGEDRM C=C[C@H](CC(=O)N1CCOc2c(C(=O)[O-])cccc21)c1ccccc1 ZINC000833371918 604841995 /nfs/dbraw/zinc/84/19/95/604841995.db2.gz WYMIXKSTRDDRRD-CQSZACIVSA-N -1 0 337.375 3.470 20 30 EGEDRM CCn1c2ccc(C#N)cc2nc1NC(=O)c1ccc(NC(=O)[O-])cc1 ZINC000833684184 605052601 /nfs/dbraw/zinc/05/26/01/605052601.db2.gz RYKGOFQFORDVEB-UHFFFAOYSA-N -1 0 349.350 3.270 20 30 EGEDRM C=CCn1c(S[C@H](C(=O)[O-])C2CC2)nnc1-c1ccccc1C ZINC000833380836 605071935 /nfs/dbraw/zinc/07/19/35/605071935.db2.gz QDUMMQBPFYOAHL-AWEZNQCLSA-N -1 0 329.425 3.395 20 30 EGEDRM C#CCOc1ccc(CNc2cc(C(=O)[O-])cc(OC)c2OC)cc1 ZINC000833366772 605490047 /nfs/dbraw/zinc/49/00/47/605490047.db2.gz IGEOPYAYELANOK-UHFFFAOYSA-N -1 0 341.363 3.026 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)N[C@H](C)c2ccc(F)c(F)c2)cc1C#N ZINC000027606502 1291290689 /nfs/dbraw/zinc/29/06/89/1291290689.db2.gz QDQGJQQFNJEFEA-MRVPVSSYSA-N -1 0 349.362 3.150 20 30 EGEDRM CCOc1ccc(C/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc1OC ZINC000032074730 1291376393 /nfs/dbraw/zinc/37/63/93/1291376393.db2.gz QXIXWMINKKWXMH-WOJGMQOQSA-N -1 0 330.340 3.327 20 30 EGEDRM O=C([N-]S(=O)(=O)c1ccc(F)cc1)c1ccc(OC(F)F)cc1 ZINC000042248939 1291438143 /nfs/dbraw/zinc/43/81/43/1291438143.db2.gz UMZZDOWAGDKWRL-UHFFFAOYSA-N -1 0 345.298 3.121 20 30 EGEDRM Cc1ccc(OCC(=O)[N-]S(=O)(=O)c2ccc(F)cc2)c(C)c1 ZINC000042251809 1291438174 /nfs/dbraw/zinc/43/81/74/1291438174.db2.gz MAKWRYYAKWKPHQ-UHFFFAOYSA-N -1 0 337.372 3.167 20 30 EGEDRM CCOc1ccc(S(=O)(=O)[N-]C(=O)Cc2ccc(C)cc2)cc1 ZINC000042247389 1291438365 /nfs/dbraw/zinc/43/83/65/1291438365.db2.gz XDKZNALJEHCBBG-UHFFFAOYSA-N -1 0 333.409 3.282 20 30 EGEDRM Cc1ccc(C)c(OCCC(=O)[N-]S(=O)(=O)c2ccccc2)c1 ZINC000048403943 1291603597 /nfs/dbraw/zinc/60/35/97/1291603597.db2.gz HHRCIQWELILHGJ-UHFFFAOYSA-N -1 0 333.409 3.418 20 30 EGEDRM CS(=O)(=O)[N-]C(=O)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000048480593 1291607256 /nfs/dbraw/zinc/60/72/56/1291607256.db2.gz DBNMWVNFPKBGIR-GHMZBOCLSA-N -1 0 336.438 3.262 20 30 EGEDRM O=C([N-]S(=O)(=O)c1cccc(Cl)c1)c1cc(F)ccc1F ZINC000048495081 1291607899 /nfs/dbraw/zinc/60/78/99/1291607899.db2.gz MJVUHNIIABGZNS-UHFFFAOYSA-N -1 0 331.727 3.312 20 30 EGEDRM COc1ccc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1F ZINC000048612436 1291613837 /nfs/dbraw/zinc/61/38/37/1291613837.db2.gz PXNLSSVTZKRJLZ-UHFFFAOYSA-N -1 0 349.383 3.017 20 30 EGEDRM CCOc1cccc(C(=O)[N-]S(=O)(=O)Cc2ccc(F)cc2)c1 ZINC000054801487 1291762800 /nfs/dbraw/zinc/76/28/00/1291762800.db2.gz ZBCXIWNCZMBQSR-UHFFFAOYSA-N -1 0 337.372 3.059 20 30 EGEDRM C[C@@H](Cc1cccc(F)c1)C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000069282998 1292238077 /nfs/dbraw/zinc/23/80/77/1292238077.db2.gz NHXICRAJOYBELQ-LBPRGKRZSA-N -1 0 346.383 3.221 20 30 EGEDRM C[C@H](Cc1cccc(F)c1)C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000069283001 1292238112 /nfs/dbraw/zinc/23/81/12/1292238112.db2.gz NHXICRAJOYBELQ-GFCCVEGCSA-N -1 0 346.383 3.221 20 30 EGEDRM CC(C)C[C@@H](C)CC(=O)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000070034327 1292254692 /nfs/dbraw/zinc/25/46/92/1292254692.db2.gz PTVXYPZDWJMGBJ-SNVBAGLBSA-N -1 0 346.380 3.451 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@@H]2C)c(Br)c1 ZINC000075040591 1292380204 /nfs/dbraw/zinc/38/02/04/1292380204.db2.gz FEPRFBKKIGJDQT-DTWKUNHWSA-N -1 0 332.219 3.059 20 30 EGEDRM Cc1ccc([N+](=O)[O-])c(C(=O)[N-]S(=O)(=O)c2ccc(C)c(C)c2)c1 ZINC000076757861 1292439913 /nfs/dbraw/zinc/43/99/13/1292439913.db2.gz JYMBBDIENWRPFZ-UHFFFAOYSA-N -1 0 348.380 3.214 20 30 EGEDRM C[C@H](C(=O)[N-]S(=O)(=O)N1CCCCC1)c1ccc(Cl)s1 ZINC000079148842 1292543822 /nfs/dbraw/zinc/54/38/22/1292543822.db2.gz IXCQNSBBAPCLLX-VIFPVBQESA-N -1 0 336.866 3.192 20 30 EGEDRM CCCCCCCS(=O)(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC000829714760 1292607584 /nfs/dbraw/zinc/60/75/84/1292607584.db2.gz AEGBTHQTQYNBPC-GFCCVEGCSA-N -1 0 333.475 3.154 20 30 EGEDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)CCO[C@@H](C)CC(C)C ZINC000088799625 1292756482 /nfs/dbraw/zinc/75/64/82/1292756482.db2.gz PLWQTNBQYMTBIL-AWEZNQCLSA-N -1 0 327.446 3.482 20 30 EGEDRM CC(C)Oc1ccc(S(=O)(=O)[N-]C(=O)c2ccccc2F)cc1 ZINC000091135498 1292822424 /nfs/dbraw/zinc/82/24/24/1292822424.db2.gz LAYXOEWYJFPLDT-UHFFFAOYSA-N -1 0 337.372 3.306 20 30 EGEDRM Cc1c(C(=O)[N-]S(=O)(=O)c2ccc(C)c(C)c2)cnn1C(C)C ZINC000092693154 1292883806 /nfs/dbraw/zinc/88/38/06/1292883806.db2.gz SUHUNDLQPIYNKN-UHFFFAOYSA-N -1 0 335.429 3.083 20 30 EGEDRM CC(C)(C)OC(=O)N[C@@H](CN=Nc1ccc(C(=O)[O-])cc1)CC1CC1 ZINC000834911649 1293174015 /nfs/dbraw/zinc/17/40/15/1293174015.db2.gz FHJUKIIRLTVZLF-OAHLLOKOSA-N -1 0 347.415 3.476 20 30 EGEDRM CCCCC[C@H](C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1)C(C)C ZINC000119777120 1293287952 /nfs/dbraw/zinc/28/79/52/1293287952.db2.gz CDYCZOCIRAQUME-INIZCTEOSA-N -1 0 336.457 3.216 20 30 EGEDRM CCCCCCCCC(=O)[N-]S(=O)(=O)c1cnn(C(C)C)c1 ZINC000835823288 1293386201 /nfs/dbraw/zinc/38/62/01/1293386201.db2.gz GYXPTMOACASJAM-UHFFFAOYSA-N -1 0 329.466 3.020 20 30 EGEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC000122497113 1293414378 /nfs/dbraw/zinc/41/43/78/1293414378.db2.gz RIYXTDFAYLAMOR-KZNAEPCWSA-N -1 0 343.386 3.269 20 30 EGEDRM CCSCc1ccc(C([O-])=C(C#N)C(=O)NC2CCCC2)cc1 ZINC000125730698 1293515241 /nfs/dbraw/zinc/51/52/41/1293515241.db2.gz CERLASIVRBWQBU-INIZCTEOSA-N -1 0 330.453 3.321 20 30 EGEDRM CC(C)COc1cccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)c1 ZINC000127295036 1293559311 /nfs/dbraw/zinc/55/93/11/1293559311.db2.gz BTFAOIZDTNKXMU-SFHVURJKSA-N -1 0 342.439 3.493 20 30 EGEDRM N#CC(C(=O)NC1CC1)=C([O-])c1ccc(-c2ccc(F)cc2)s1 ZINC000129234255 1293618270 /nfs/dbraw/zinc/61/82/70/1293618270.db2.gz BTGDDMQKLKHCBI-ZDUSSCGKSA-N -1 0 328.368 3.155 20 30 EGEDRM COc1ccc(/C=C/C(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1OC ZINC000136517277 1293816863 /nfs/dbraw/zinc/81/68/63/1293816863.db2.gz VFQPZDPWFQDNSA-ZZXKWVIFSA-N -1 0 329.308 3.214 20 30 EGEDRM COc1cc(OC)c(OC)cc1/C=C/C(=O)c1ccc([O-])c(F)c1 ZINC000170851907 1294384180 /nfs/dbraw/zinc/38/41/80/1294384180.db2.gz BZUFOATWVJZFNQ-AATRIKPKSA-N -1 0 332.327 3.453 20 30 EGEDRM O=C([N-]Cc1ccc(OCC(F)(F)F)cc1)C(F)(F)C(F)F ZINC000175846940 1294576208 /nfs/dbraw/zinc/57/62/08/1294576208.db2.gz ZWTLMXRRVXIKOQ-UHFFFAOYSA-N -1 0 333.203 3.144 20 30 EGEDRM N#Cc1cccc(OCCCCC(=O)Nc2cc(C#N)ccc2[O-])c1 ZINC000176833039 1294638222 /nfs/dbraw/zinc/63/82/22/1294638222.db2.gz XGLMCUPPCIKXMP-UHFFFAOYSA-N -1 0 335.363 3.323 20 30 EGEDRM [O-]c1c(Br)cc(Br)cc1/C=N/[C@H]1CCOC1 ZINC000178886217 1294761003 /nfs/dbraw/zinc/76/10/03/1294761003.db2.gz ICBPCTUZKIMDAB-QFKBZZQOSA-N -1 0 349.022 3.125 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000179731065 1294819608 /nfs/dbraw/zinc/81/96/08/1294819608.db2.gz NJXPGMLNBVLCRK-UHFFFAOYSA-N -1 0 331.715 3.007 20 30 EGEDRM COc1cccc(C(=O)Nc2cc(C#N)ccc2[O-])c1OC(F)F ZINC000179734092 1294819709 /nfs/dbraw/zinc/81/97/09/1294819709.db2.gz MAHGGCNCUULORA-UHFFFAOYSA-N -1 0 334.278 3.126 20 30 EGEDRM Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1cc(C#N)ccc1[O-] ZINC000179728374 1294821246 /nfs/dbraw/zinc/82/12/46/1294821246.db2.gz WFSCZWLUZLHCFT-UHFFFAOYSA-N -1 0 332.363 3.319 20 30 EGEDRM C[C@@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000183129404 1295101327 /nfs/dbraw/zinc/10/13/27/1295101327.db2.gz SNSQABOIJCQRQD-JTQLQIEISA-N -1 0 338.335 3.056 20 30 EGEDRM C=C[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc(CC)cc1)c1ccccc1 ZINC000184168307 1295174349 /nfs/dbraw/zinc/17/43/49/1295174349.db2.gz UHXBJFIBMSRTPO-INIZCTEOSA-N -1 0 343.448 3.414 20 30 EGEDRM C[C@@H](C#N)Oc1ccccc1NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000184565220 1295202478 /nfs/dbraw/zinc/20/24/78/1295202478.db2.gz HCYFOYFIAKKXGB-QMMMGPOBSA-N -1 0 336.269 3.353 20 30 EGEDRM COc1cc(/C=C2/Cc3cc(O)ccc3C2=O)c([N+](=O)[O-])cc1OC ZINC000187224627 1295376163 /nfs/dbraw/zinc/37/61/63/1295376163.db2.gz ZXDQRMFDCCTPBA-SDQBBNPISA-N -1 0 341.319 3.140 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)C[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000191267651 1295664916 /nfs/dbraw/zinc/66/49/16/1295664916.db2.gz LARVQZGDUPZYJR-NSHDSACASA-N -1 0 329.318 3.298 20 30 EGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)c1cnn(CC2CC2)c1 ZINC000870123246 1295677957 /nfs/dbraw/zinc/67/79/57/1295677957.db2.gz OAIRAIHKRITZEX-MRXNPFEDSA-N -1 0 346.390 3.288 20 30 EGEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1cccc(Oc2ccccn2)c1 ZINC000870158733 1295708728 /nfs/dbraw/zinc/70/87/28/1295708728.db2.gz JPKANOYRWVTJDC-QGZVFWFLSA-N -1 0 349.390 3.255 20 30 EGEDRM O=C1c2cc(F)cc(F)c2OC/C1=C/c1ccc([N+](=O)[O-])c([O-])c1 ZINC000194661590 1295999610 /nfs/dbraw/zinc/99/96/10/1295999610.db2.gz OFFTUGYUVGVVAT-OQFOIZHKSA-N -1 0 333.246 3.237 20 30 EGEDRM O=C1c2ccc(O)cc2O/C1=C/c1ccc(O)c(Br)c1 ZINC000212105791 1296106271 /nfs/dbraw/zinc/10/62/71/1296106271.db2.gz JESIXYXLFKMDAO-MKMNVTDBSA-N -1 0 333.137 3.477 20 30 EGEDRM Cc1cc(/C=C\C(=O)c2cccc(OCC(=O)[O-])c2)cc(C)c1O ZINC000213725077 1296112434 /nfs/dbraw/zinc/11/24/34/1296112434.db2.gz PFQQLJMFIJDHKN-SREVYHEPSA-N -1 0 326.348 3.369 20 30 EGEDRM [O-]c1c(Cl)cc(Cl)cc1C=Nc1cccc(-n2cnnn2)c1 ZINC000255070703 1296495272 /nfs/dbraw/zinc/49/52/72/1296495272.db2.gz WYRCVHQEVFEMLE-UHFFFAOYSA-N -1 0 334.166 3.425 20 30 EGEDRM Cc1cc(C)n(CCC/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])n1 ZINC000255168693 1296506062 /nfs/dbraw/zinc/50/60/62/1296506062.db2.gz NQHONDUEMHVONW-MFOYZWKCSA-N -1 0 336.779 3.276 20 30 EGEDRM COc1cc(/C=C\C(=O)c2cc(F)ccc2[O-])c([N+](=O)[O-])cc1OC ZINC000255415629 1296530637 /nfs/dbraw/zinc/53/06/37/1296530637.db2.gz AITAHNDRQXIUTK-HYXAFXHYSA-N -1 0 347.298 3.353 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2cnc(-c3cccs3)s2)C(=O)O1 ZINC000255505337 1296540086 /nfs/dbraw/zinc/54/00/86/1296540086.db2.gz SBZAGNZPEIEMIL-WSNITJDQSA-N -1 0 345.401 3.100 20 30 EGEDRM COc1cc(/C=C\C(=O)c2ccc3c(c2)CCO3)cc([N+](=O)[O-])c1[O-] ZINC000255550733 1296544916 /nfs/dbraw/zinc/54/49/16/1296544916.db2.gz ZJMICIHQLLWJJK-RQOWECAXSA-N -1 0 341.319 3.140 20 30 EGEDRM COc1ccc(OC)c(C(=O)/C=C\c2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000255880037 1296575522 /nfs/dbraw/zinc/57/55/22/1296575522.db2.gz MTFIFDVBPVUARB-CLTKARDFSA-N -1 0 329.308 3.214 20 30 EGEDRM C=CCC[C@H](NC(=O)CCCOc1ccccc1Cl)C(=O)[O-] ZINC000262921947 1296652694 /nfs/dbraw/zinc/65/26/94/1296652694.db2.gz OAWAHZIPRQONNT-ZDUSSCGKSA-N -1 0 325.792 3.035 20 30 EGEDRM CC(C)(C)OC(=O)N=c1[nH]c(C=NNc2ccnc(F)c2)cs1 ZINC000872363848 1296925999 /nfs/dbraw/zinc/92/59/99/1296925999.db2.gz TWEIHQGKQGRVHH-UHFFFAOYSA-N -1 0 337.380 3.470 20 30 EGEDRM C=CCCCCCCNS(=O)(=O)c1ccc(CC)c(C(=O)[O-])c1 ZINC000323309219 1297197190 /nfs/dbraw/zinc/19/71/90/1297197190.db2.gz COIGWMYCJHTVQY-UHFFFAOYSA-N -1 0 339.457 3.362 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)N2Cc3ccccc3[C@H](C)C2)cc1C#N ZINC000874487546 1297919704 /nfs/dbraw/zinc/91/97/04/1297919704.db2.gz VFMJAGPSJNRENJ-LLVKDONJSA-N -1 0 339.420 3.140 20 30 EGEDRM CC(C)Oc1ccccc1C=Nn1c(=O)c2ccccc2[n-]c1=S ZINC000725860047 1298378538 /nfs/dbraw/zinc/37/85/38/1298378538.db2.gz VVNHMELYYRJKIY-UHFFFAOYSA-N -1 0 339.420 3.355 20 30 EGEDRM C/C(=C\C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)C(C)(C)C ZINC000744113867 1298413958 /nfs/dbraw/zinc/41/39/58/1298413958.db2.gz ILTITQJQOZRLCM-JXMROGBWSA-N -1 0 340.832 3.009 20 30 EGEDRM CC(C)Oc1ccc(C(=O)[O-])cc1C(=O)/C=C/c1cc2n(n1)CCC2 ZINC000876497935 1298794636 /nfs/dbraw/zinc/79/46/36/1298794636.db2.gz ISNQTNSKYMOHTK-VOTSOKGWSA-N -1 0 340.379 3.211 20 30 EGEDRM COc1ccc2c(c1)O/C(=C/c1ccc(OCCC(=O)[O-])cc1)C2=O ZINC000749132555 1299149863 /nfs/dbraw/zinc/14/98/63/1299149863.db2.gz OWOZYYQMYNGAQU-LICLKQGHSA-N -1 0 340.331 3.165 20 30 EGEDRM CC(=NNc1cccc([N+](=O)[O-])c1C)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000749607883 1299246419 /nfs/dbraw/zinc/24/64/19/1299246419.db2.gz DJKNBCBCLHFBBY-UHFFFAOYSA-N -1 0 330.300 3.353 20 30 EGEDRM CN1CCc2cc(C=[NH+][N-]c3ccc(Cl)c(C(=O)[O-])c3)ccc21 ZINC000752718276 1299782689 /nfs/dbraw/zinc/78/26/89/1299782689.db2.gz MPMZWJRXYOYHGL-UHFFFAOYSA-N -1 0 329.787 3.477 20 30 EGEDRM COC(=O)[C@H](CC1CCCCC1)/N=C/c1cc([N+](=O)[O-])ccc1[O-] ZINC000754827493 1300224010 /nfs/dbraw/zinc/22/40/10/1300224010.db2.gz MJAUOMLTAQUGDA-LZNAANCOSA-N -1 0 334.372 3.231 20 30 EGEDRM O=C([O-])c1ccoc1COc1ccc(C=NO[C@H]2CCCCO2)cc1 ZINC000755821231 1300402780 /nfs/dbraw/zinc/40/27/80/1300402780.db2.gz CAKYYDFUHCRAKZ-KRWDZBQOSA-N -1 0 345.351 3.434 20 30 EGEDRM CC(=O)N1CC[C@H](/N=C/c2cc([N+](=O)[O-])ccc2[O-])c2ccccc21 ZINC000756846428 1300575401 /nfs/dbraw/zinc/57/54/01/1300575401.db2.gz JLBHQSDNEPGFOX-ZVCOJXFSSA-N -1 0 339.351 3.217 20 30 EGEDRM COc1cc2c(cc1/C=C\C(=O)c1ccc(C(=O)[O-])s1)OCO2 ZINC000758931315 1300983114 /nfs/dbraw/zinc/98/31/14/1300983114.db2.gz LUCKVEACAZEDTB-IHWYPQMZSA-N -1 0 332.333 3.080 20 30 EGEDRM Cn1cc(-c2ccccc2C/N=C/c2cc([N+](=O)[O-])ccc2[O-])cn1 ZINC000759034824 1301001742 /nfs/dbraw/zinc/00/17/42/1301001742.db2.gz GGCUYYLKSKYBJY-VXLYETTFSA-N -1 0 336.351 3.320 20 30 EGEDRM C[C@@H](C#N)Oc1ccc(/C=C\C(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000759088584 1301011790 /nfs/dbraw/zinc/01/17/90/1301011790.db2.gz BUAFRHGMHBWSFQ-LDJOOVGUSA-N -1 0 338.319 3.487 20 30 EGEDRM COc1cc(/C=C/C(=O)c2ccc(Cl)nc2)ccc1OCC(=O)[O-] ZINC000759081906 1301012640 /nfs/dbraw/zinc/01/26/40/1301012640.db2.gz CJSROKYGAISBTG-GORDUTHDSA-N -1 0 347.754 3.103 20 30 EGEDRM COCCOc1ccccc1/C=C/C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000759091766 1301013861 /nfs/dbraw/zinc/01/38/61/1301013861.db2.gz SZRXNEGDWNTPOF-SOFGYWHQSA-N -1 0 343.335 3.222 20 30 EGEDRM CCCC=CC(=O)C(C#N)=C([O-])c1c(C)[nH]c(C)c1C(=O)OCC ZINC000759235191 1301046333 /nfs/dbraw/zinc/04/63/33/1301046333.db2.gz AFFLGODUBDYBQR-LJTDUEICSA-N -1 0 330.384 3.056 20 30 EGEDRM C=C[C@H](CC(=O)[N-]S(=O)(=O)c1ccc(C)cc1F)c1ccccc1 ZINC000759407057 1301083017 /nfs/dbraw/zinc/08/30/17/1301083017.db2.gz XNSXINMVQDZESA-CQSZACIVSA-N -1 0 347.411 3.299 20 30 EGEDRM COc1cccc2c1C/C(=C/c1cccc(O[C@@H](C)C(=O)[O-])c1)C2=O ZINC000759667244 1301137710 /nfs/dbraw/zinc/13/77/10/1301137710.db2.gz WZRFLSNRILJRKB-CJAAZZPWSA-N -1 0 338.359 3.370 20 30 EGEDRM CC(N=Nc1ncc(F)cn1)c1ccc(-c2ccc(C(=O)[O-])o2)cc1 ZINC000760246166 1301238812 /nfs/dbraw/zinc/23/88/12/1301238812.db2.gz GGJGSEZGGLLJIR-UHFFFAOYSA-N -1 0 340.314 3.410 20 30 EGEDRM CC(C)c1ccc2c(c1)C(=NNc1[n-]cnc3ncnc1-3)CCCO2 ZINC000767777695 1302761979 /nfs/dbraw/zinc/76/19/79/1302761979.db2.gz XGPSDOWMFPRMHA-UHFFFAOYSA-N -1 0 336.399 3.465 20 30 EGEDRM C[C@H](Oc1cccc(C(=O)/C=C/c2ccc(F)c(C#N)c2)c1)C(=O)[O-] ZINC000770574787 1303287973 /nfs/dbraw/zinc/28/79/73/1303287973.db2.gz ZTWFVOUIKWXERZ-WMADIVHISA-N -1 0 339.322 3.445 20 30 EGEDRM COCCc1nc(C)c(C(C)=NNc2ccc(C(=O)[O-])cc2)s1 ZINC000770590853 1303290471 /nfs/dbraw/zinc/29/04/71/1303290471.db2.gz SNUDNBOZFZMQPA-UHFFFAOYSA-N -1 0 333.413 3.175 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2ccc(C(C)C)nc2)n1 ZINC000772393123 1303528010 /nfs/dbraw/zinc/52/80/10/1303528010.db2.gz QFLHZLVGBYOIFA-ZDUSSCGKSA-N -1 0 343.408 3.003 20 30 EGEDRM O=C(/C=C\c1cc([O-])ccc1[N+](=O)[O-])c1cnn(Cc2ccccc2)c1 ZINC000772800498 1303577834 /nfs/dbraw/zinc/57/78/34/1303577834.db2.gz GOJHGIQVTBFCHP-TWGQIWQCSA-N -1 0 349.346 3.441 20 30 EGEDRM O=C(/C=C\c1cc([O-])ccc1[N+](=O)[O-])c1ccc2c(c1)CCC(=O)N2 ZINC000772805572 1303579577 /nfs/dbraw/zinc/57/95/77/1303579577.db2.gz ITTSOUGWIWQPRY-UQCOIBPSSA-N -1 0 338.319 3.081 20 30 EGEDRM O=C1c2cc([N+](=O)[O-])ccc2CC/C1=C/c1cc([O-])ccc1[N+](=O)[O-] ZINC000773152318 1303634107 /nfs/dbraw/zinc/63/41/07/1303634107.db2.gz VINRBQXCYUPBIX-XFFZJAGNSA-N -1 0 340.291 3.421 20 30 EGEDRM N#CC(C(=O)Nc1ccc(Cl)cc1Cl)=C([O-])c1nccs1 ZINC000774050866 1303768590 /nfs/dbraw/zinc/76/85/90/1303768590.db2.gz HHSLKEQHHQMOSI-MRVPVSSYSA-N -1 0 340.191 3.411 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2nc(-c3ccco3)cs2)ccc1C#N ZINC000775048194 1303895142 /nfs/dbraw/zinc/89/51/42/1303895142.db2.gz HIFNLBSSSYXJAG-UHFFFAOYSA-N -1 0 345.405 3.384 20 30 EGEDRM CO[C@@H]1[C@H](C)[C@H](/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1(C)C ZINC000775630029 1303998298 /nfs/dbraw/zinc/99/82/98/1303998298.db2.gz IZQCVYWLKOZRIX-VVLNKLJVSA-N -1 0 326.780 3.432 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])c(/C=N\Cc2nc(-c3cccc(F)c3)no2)c1 ZINC000775742989 1304026575 /nfs/dbraw/zinc/02/65/75/1304026575.db2.gz ZLIHVCWLSGXPRY-LSCVHKIXSA-N -1 0 342.286 3.109 20 30 EGEDRM COc1cc(/C=C\C(=O)c2cccc(F)c2F)ccc1OCC(=O)[O-] ZINC000776267833 1304124324 /nfs/dbraw/zinc/12/43/24/1304124324.db2.gz GCQUPXWSLSGQLF-ALCCZGGFSA-N -1 0 348.301 3.333 20 30 EGEDRM CCCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC000779320754 1304556238 /nfs/dbraw/zinc/55/62/38/1304556238.db2.gz BPJCWIULMNKGRR-CQSZACIVSA-N -1 0 328.478 3.123 20 30 EGEDRM N#Cc1cc(F)ccc1[N-]S(=O)(=O)c1cccc(C(F)F)c1 ZINC000780715008 1304728080 /nfs/dbraw/zinc/72/80/80/1304728080.db2.gz CCOBDEZTLPTDFJ-UHFFFAOYSA-N -1 0 326.299 3.436 20 30 EGEDRM FC(F)(F)c1n[n-]c(=S)n1N=Cc1cnc(-c2ccco2)s1 ZINC000782133519 1304919086 /nfs/dbraw/zinc/91/90/86/1304919086.db2.gz YVMCKNWHSZDHRF-UHFFFAOYSA-N -1 0 345.331 3.184 20 30 EGEDRM C=C[C@](C)(CCOC)C(=O)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000783679170 1305127595 /nfs/dbraw/zinc/12/75/95/1305127595.db2.gz CGAMPSUYCDWVFF-OAHLLOKOSA-N -1 0 331.334 3.482 20 30 EGEDRM Cc1cc(=O)[n-]c(N=NC2CCCCC[C@H]2NC(=O)OC(C)(C)C)n1 ZINC000783771976 1305143820 /nfs/dbraw/zinc/14/38/20/1305143820.db2.gz OPLAIQOCKKMFPQ-GFCCVEGCSA-N -1 0 349.435 3.116 20 30 EGEDRM C=C(C)[C@H](CC(=O)[N-]S(=O)(=O)c1cccc2ccccc21)OCC ZINC000784582443 1305261593 /nfs/dbraw/zinc/26/15/93/1305261593.db2.gz DPANROUPTUZZKF-INIZCTEOSA-N -1 0 347.436 3.016 20 30 EGEDRM COc1cc(/C=C\C(=O)c2ccc(O)cc2)ccc1OCCC(=O)[O-] ZINC000784957590 1305297365 /nfs/dbraw/zinc/29/73/65/1305297365.db2.gz GLXPNQUYZGOCRJ-WAPJZHGLSA-N -1 0 342.347 3.150 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)ns2)cc1[O-] ZINC000785415673 1305346795 /nfs/dbraw/zinc/34/67/95/1305346795.db2.gz OETRUJOPDFNDRJ-UHFFFAOYSA-N -1 0 340.339 3.174 20 30 EGEDRM Cc1ccsc1C([O-])=C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786547285 1305595591 /nfs/dbraw/zinc/59/55/91/1305595591.db2.gz PMTVDCJZUWOGML-ZDUSSCGKSA-N -1 0 332.812 3.349 20 30 EGEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1cnn(C(C)C)c1)c1ccccc1 ZINC000787034128 1305678522 /nfs/dbraw/zinc/67/85/22/1305678522.db2.gz JPVFARXXQVUPME-IRXDYDNUSA-N -1 0 338.411 3.054 20 30 EGEDRM CC(N=Nc1nnc(-c2ccccn2)s1)c1ccccc1C(=O)[O-] ZINC000788032986 1305850488 /nfs/dbraw/zinc/85/04/88/1305850488.db2.gz ZEUVTCSWEZKTTN-UHFFFAOYSA-N -1 0 339.380 3.134 20 30 EGEDRM CC(=O)c1cc(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)ccc1C ZINC000789493057 1306171073 /nfs/dbraw/zinc/17/10/73/1306171073.db2.gz YRWCHLGXOZHHLE-IBGZPJMESA-N -1 0 348.402 3.145 20 30 EGEDRM N#Cc1cccc([C@H]2CN(Cc3cc(F)cc(F)c3[O-])CCO2)c1 ZINC000894095380 1306216818 /nfs/dbraw/zinc/21/68/18/1306216818.db2.gz QNDBMGSTMFVYLD-QGZVFWFLSA-N -1 0 330.334 3.116 20 30 EGEDRM O=C([O-])c1ccc(N=NC(C[C@@H]2CCOC2)c2ccc(F)cc2)nc1 ZINC000793033531 1309284397 /nfs/dbraw/zinc/28/43/97/1309284397.db2.gz CJZBHJFYPKYXCJ-LBPRGKRZSA-N -1 0 343.358 3.162 20 30 EGEDRM CC[C@@H](NN=C(C)c1cccc(OCc2ccccc2)c1)C(=O)[O-] ZINC000793072707 1309290274 /nfs/dbraw/zinc/29/02/74/1309290274.db2.gz VRYFRRRGHOLUQA-GOSISDBHSA-N -1 0 326.396 3.442 20 30 EGEDRM CC[C@H](NN=C(Cc1cccc(OC)c1)c1ccccc1)C(=O)[O-] ZINC000793073299 1309290366 /nfs/dbraw/zinc/29/03/66/1309290366.db2.gz RTBJMIHKCYXZJW-KRWDZBQOSA-N -1 0 326.396 3.095 20 30 EGEDRM CC[C@H](NN=Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C(=O)[O-] ZINC000793071841 1309290900 /nfs/dbraw/zinc/29/09/00/1309290900.db2.gz HVUKAYLELAAHKM-LBPRGKRZSA-N -1 0 333.369 3.110 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])c(/C=N/[C@H]2CCN(c3ccccc3F)C2)c1 ZINC000793666499 1309425541 /nfs/dbraw/zinc/42/55/41/1309425541.db2.gz FSCOVZXSXLNDDC-UZPSYVQNSA-N -1 0 329.331 3.137 20 30 EGEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1csc2cc(C)ccc12 ZINC000796634400 1310052037 /nfs/dbraw/zinc/05/20/37/1310052037.db2.gz YPZCMBKRGUEOKG-AWEZNQCLSA-N -1 0 344.436 3.075 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(C(F)(F)F)s1 ZINC000796780087 1310086459 /nfs/dbraw/zinc/08/64/59/1310086459.db2.gz RYGNSTWCZHIDLD-SECBINFHSA-N -1 0 332.347 3.396 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)N[C@H](C)c1nc(-c2ccccc2)cs1 ZINC000797719609 1310236246 /nfs/dbraw/zinc/23/62/46/1310236246.db2.gz ATKUOWFWDCZPBJ-GFCCVEGCSA-N -1 0 345.424 3.153 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)Nc1cc(F)c(OC(C)(C)C)c(F)c1 ZINC000797747551 1310241128 /nfs/dbraw/zinc/24/11/28/1310241128.db2.gz VSUIIJOBNRJRSZ-UHFFFAOYSA-N -1 0 342.342 3.247 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(N)c(Cl)c2)s1 ZINC000797815266 1310250961 /nfs/dbraw/zinc/25/09/61/1310250961.db2.gz OALTZUIBXJUMSH-UHFFFAOYSA-N -1 0 348.236 3.310 20 30 EGEDRM C[C@@H](C(=O)C(C#N)=C([O-])c1nccn1C)c1ccc(C(F)(F)F)cc1 ZINC000798844077 1310450342 /nfs/dbraw/zinc/45/03/42/1310450342.db2.gz PYXLHRDUBYWFOT-ZWNOBZJWSA-N -1 0 349.312 3.134 20 30 EGEDRM Cc1[nH]c(C=NNc2ccc(Br)cc2F)cc1C(=O)[O-] ZINC000800811648 1310810771 /nfs/dbraw/zinc/81/07/71/1310810771.db2.gz DALHTININYQNTL-UHFFFAOYSA-N -1 0 340.152 3.369 20 30 EGEDRM Cc1ccc(Oc2ccc(C([O-])=C(C#N)C(=O)NC(C)C)nc2)cc1 ZINC000838788626 1320816280 /nfs/dbraw/zinc/81/62/80/1320816280.db2.gz ODPKDOJGRREDAV-MRXNPFEDSA-N -1 0 337.379 3.029 20 30 EGEDRM COc1ccc(C(=O)[O-])cc1/C=C\C(=O)c1cnn(C(C)C)c1C ZINC000899368261 1317004147 /nfs/dbraw/zinc/00/41/47/1317004147.db2.gz GVAKOETXFPFDKA-ALCCZGGFSA-N -1 0 328.368 3.375 20 30 EGEDRM CCn1cnc(/C=C/C(=O)c2cc(C(=O)[O-])ccc2OC(C)C)c1 ZINC000899386933 1317013652 /nfs/dbraw/zinc/01/36/52/1317013652.db2.gz GOMJXFUUXGIJSX-VOTSOKGWSA-N -1 0 328.368 3.285 20 30 EGEDRM COCCOc1cccc(/C=C\C(=O)c2cccc(C(=O)[O-])c2)c1 ZINC000806559044 1317500481 /nfs/dbraw/zinc/50/04/81/1317500481.db2.gz SOTUTJYNFPOLLU-HJWRWDBZSA-N -1 0 326.348 3.306 20 30 EGEDRM N#Cc1cccc(CC(=O)NCc2cc(Cl)cc(Cl)c2[O-])c1 ZINC000807836480 1317589524 /nfs/dbraw/zinc/58/95/24/1317589524.db2.gz YBPWFJFDDTWUAU-UHFFFAOYSA-N -1 0 335.190 3.430 20 30 EGEDRM C[C@H](Oc1ccc(CN=Nc2nccnc2C2CCC2)cc1)C(=O)[O-] ZINC000807990854 1317607818 /nfs/dbraw/zinc/60/78/18/1317607818.db2.gz CWPMAWBETBVXCZ-LBPRGKRZSA-N -1 0 340.383 3.042 20 30 EGEDRM C#CCOc1ccccc1[N-]S(=O)(=O)c1ccc(C(F)F)cc1 ZINC000808109917 1317625836 /nfs/dbraw/zinc/62/58/36/1317625836.db2.gz LPBGPFJQWDGDRB-UHFFFAOYSA-N -1 0 337.347 3.437 20 30 EGEDRM COCc1cccc(S(=O)(=O)[N-]c2sc(C)c(C)c2C#N)c1 ZINC000903168496 1317667707 /nfs/dbraw/zinc/66/77/07/1317667707.db2.gz KVOZDCCFSFFWTF-UHFFFAOYSA-N -1 0 336.438 3.184 20 30 EGEDRM C=CC[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccc(C)cc1)c1ccccc1 ZINC000809063052 1317764572 /nfs/dbraw/zinc/76/45/72/1317764572.db2.gz HMUWMFTTWDYMOQ-GOSISDBHSA-N -1 0 343.448 3.301 20 30 EGEDRM CCCCn1cc(S(=O)(=O)[N-]c2scc(C)c2C#N)c(C)n1 ZINC000906072804 1318033659 /nfs/dbraw/zinc/03/36/59/1318033659.db2.gz KYUIUBFLELQFQU-UHFFFAOYSA-N -1 0 338.458 3.034 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2cccc(-c3ccoc3)c2)CC1 ZINC000810980984 1318085215 /nfs/dbraw/zinc/08/52/15/1318085215.db2.gz JIQHZFPTJUTMBW-UHFFFAOYSA-N -1 0 331.393 3.115 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)C[C@@H](C)c2ccc(F)cc2F)CC1 ZINC000810980807 1318085957 /nfs/dbraw/zinc/08/59/57/1318085957.db2.gz FWWLJVPQOHOUBL-LLVKDONJSA-N -1 0 343.395 3.013 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2cc3cccc(C)c3s2)CC1 ZINC000810981031 1318086022 /nfs/dbraw/zinc/08/60/22/1318086022.db2.gz KJHOKONLBUNPGM-UHFFFAOYSA-N -1 0 335.450 3.378 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2ccc(SC(C)C)cc2)CC1 ZINC000810985837 1318086451 /nfs/dbraw/zinc/08/64/51/1318086451.db2.gz JAPDKCCUOYISMF-UHFFFAOYSA-N -1 0 339.482 3.355 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)CC1 ZINC000810986419 1318087038 /nfs/dbraw/zinc/08/70/38/1318087038.db2.gz ZBBQRVGTYBWMOM-QLFBSQMISA-N -1 0 325.474 3.148 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2ncsc2C(C)C)n1 ZINC000811264669 1318137616 /nfs/dbraw/zinc/13/76/16/1318137616.db2.gz JWMVPKDBAQGHAZ-JTQLQIEISA-N -1 0 349.437 3.065 20 30 EGEDRM COc1ccc(C(=O)/C=C\c2cccc(F)c2C#N)cc1CC(=O)[O-] ZINC000811688913 1318227649 /nfs/dbraw/zinc/22/76/49/1318227649.db2.gz TWRXLJYZOBAWBU-ALCCZGGFSA-N -1 0 339.322 3.229 20 30 EGEDRM COc1ccc(F)cc1/C=C\C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000812240855 1318349691 /nfs/dbraw/zinc/34/96/91/1318349691.db2.gz UXKUMCAGMQSVEV-ALCCZGGFSA-N -1 0 330.311 3.194 20 30 EGEDRM CC(=NNc1ccccc1C(=O)[O-])c1ccc2c(c1)OCCCO2 ZINC000812444931 1318395066 /nfs/dbraw/zinc/39/50/66/1318395066.db2.gz IWGXJDMSMLVKRZ-UHFFFAOYSA-N -1 0 326.352 3.382 20 30 EGEDRM C=C1CCC(C(=O)N2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)CC1 ZINC000909136551 1318442324 /nfs/dbraw/zinc/44/23/24/1318442324.db2.gz KWWHZAXSTKDKBY-UHFFFAOYSA-N -1 0 338.407 3.497 20 30 EGEDRM C#CCO[N-]C(=O)[C@@H](Sc1cc(F)ccc1F)c1ccccc1 ZINC000812784740 1318453659 /nfs/dbraw/zinc/45/36/59/1318453659.db2.gz GIFUOZCAHKAJRS-INIZCTEOSA-N -1 0 333.359 3.479 20 30 EGEDRM CC(CCCCCCC(=O)[O-])=NNS(=O)(=O)c1ccc(C)cc1 ZINC000814692837 1318800477 /nfs/dbraw/zinc/80/04/77/1318800477.db2.gz GWNPWWVJTDZEGA-UHFFFAOYSA-N -1 0 340.445 3.074 20 30 EGEDRM C[C@@H]1CC(=NNC(=S)N[C@@H]2CCC[C@H](C)[C@@H]2C)CC[C@@H]1C(=O)[O-] ZINC000814758718 1318811139 /nfs/dbraw/zinc/81/11/39/1318811139.db2.gz GFFZZAXPSWOAPI-CUZKYEQNSA-N -1 0 339.505 3.152 20 30 EGEDRM CC(CCc1ccc(OCC(=O)[O-])cc1)N=Nc1ccncc1Cl ZINC000814870246 1318835619 /nfs/dbraw/zinc/83/56/19/1318835619.db2.gz UDEOFVAGLFELQN-UHFFFAOYSA-N -1 0 347.802 3.041 20 30 EGEDRM C[C@H]1CC(N=Nc2cncc(Br)c2)CC[C@@H]1C(=O)[O-] ZINC000814887830 1318840290 /nfs/dbraw/zinc/84/02/90/1318840290.db2.gz YUPAHKRXZOPLPA-UFBFGSQYSA-N -1 0 326.194 3.133 20 30 EGEDRM C[C@@H]1C[C@H](C(=O)[O-])CCC1N=Nc1cncc(Br)c1 ZINC000814886919 1318840457 /nfs/dbraw/zinc/84/04/57/1318840457.db2.gz KACCFJNYRJGTAG-RKDXNWHRSA-N -1 0 326.194 3.133 20 30 EGEDRM C[C@H](Oc1cccc(C=NNc2ccc(F)c(F)c2F)c1)C(=O)[O-] ZINC000814945291 1318857104 /nfs/dbraw/zinc/85/71/04/1318857104.db2.gz UPMLGRDKLZCZKT-VIFPVBQESA-N -1 0 338.285 3.402 20 30 EGEDRM C=CCC(F)(F)C(=O)N[C@@H](C(=O)OC)c1ccc(Cl)c(F)c1 ZINC000815880937 1319066095 /nfs/dbraw/zinc/06/60/95/1319066095.db2.gz XKGYVEJNRLEOMR-LLVKDONJSA-N -1 0 335.709 3.021 20 30 EGEDRM C=CCC(F)(F)C(=O)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000815892036 1319068898 /nfs/dbraw/zinc/06/88/98/1319068898.db2.gz CWUHPLKXXSVARL-UHFFFAOYSA-N -1 0 344.166 3.010 20 30 EGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)c1ncc(C#N)cc1C ZINC000815899482 1319069442 /nfs/dbraw/zinc/06/94/42/1319069442.db2.gz SHPIAFVGBGVSHT-OAHLLOKOSA-N -1 0 342.358 3.257 20 30 EGEDRM C[C@@H]1c2c(c(O)ccc2F)C(=O)/C1=C/c1cnc(N2CCCC2)nc1 ZINC000915987540 1319579456 /nfs/dbraw/zinc/57/94/56/1319579456.db2.gz GQWMKSRDKLOAQY-ZWSXMNCCSA-N -1 0 339.370 3.305 20 30 EGEDRM [O-]c1c(Cl)cc(Cl)cc1C=NNC(=S)Nc1cccnc1 ZINC000916298094 1319633828 /nfs/dbraw/zinc/63/38/28/1319633828.db2.gz FHFQKGUWJLPLMV-UHFFFAOYSA-N -1 0 341.223 3.415 20 30 EGEDRM Cc1nnc([S-])n(N=Cc2c3ccccc3cc3ccccc32)c1=O ZINC000916304109 1319636459 /nfs/dbraw/zinc/63/64/59/1319636459.db2.gz YFWLWLPJUFCDOW-UHFFFAOYSA-N -1 0 346.415 3.424 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1c(Cl)c2ccccc2n1C ZINC000916878477 1319718858 /nfs/dbraw/zinc/71/88/58/1319718858.db2.gz YQQYSTGKWXHXSN-ZDUSSCGKSA-N -1 0 345.830 3.461 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(OCC(C)C)cc1 ZINC000916874637 1319719110 /nfs/dbraw/zinc/71/91/10/1319719110.db2.gz GULYYDQCNRRZDM-KRWDZBQOSA-N -1 0 330.428 3.350 20 30 EGEDRM C=CCNC(=O)C(C#N)=C([O-])c1cc(C)n(-c2cccc(C)c2)c1C ZINC000916917969 1319725045 /nfs/dbraw/zinc/72/50/45/1319725045.db2.gz IZUOCRALZGPXFS-SFHVURJKSA-N -1 0 335.407 3.027 20 30 EGEDRM Cc1nc(C#N)c([N-]N=C2c3ccccc3N(CCC(C)C)C2=O)o1 ZINC000917555086 1319836408 /nfs/dbraw/zinc/83/64/08/1319836408.db2.gz KKKXMFJBHICFHN-UHFFFAOYSA-N -1 0 337.383 3.064 20 30 EGEDRM CCCCCCC[C@H](C)CNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000918381478 1319947288 /nfs/dbraw/zinc/94/72/88/1319947288.db2.gz ZFPWKKSRSWGSIV-LBPRGKRZSA-N -1 0 346.431 3.162 20 30 EGEDRM C=CCC[C@@H](NC(=O)NCc1ccc(OC2CCCC2)cc1)C(=O)[O-] ZINC000837299591 1320594314 /nfs/dbraw/zinc/59/43/14/1320594314.db2.gz WCKUJNZLTHAXTO-QGZVFWFLSA-N -1 0 346.427 3.227 20 30 EGEDRM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@](C)(CCCCCC)C(=O)[O-] ZINC000837300076 1320594534 /nfs/dbraw/zinc/59/45/34/1320594534.db2.gz RDVWNFUMCRIXGQ-RLFYNMQTSA-N -1 0 340.464 3.081 20 30 EGEDRM CC(C)OC(=O)[C@@H](/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-])C(C)C ZINC000840710637 1321132397 /nfs/dbraw/zinc/13/23/97/1321132397.db2.gz TZXQPXRXOBQJDR-OFXGXDKDSA-N -1 0 342.779 3.349 20 30 EGEDRM CCN(C)c1ccc(/C=C2/C[C@@H](C(=O)[O-])c3ccccc3C2=O)cn1 ZINC000843268934 1321496332 /nfs/dbraw/zinc/49/63/32/1321496332.db2.gz OMBWMGJPXFAUKE-OOXMNIKJSA-N -1 0 336.391 3.376 20 30 EGEDRM C=C(C)CON=C([O-])Nc1nnc(C(C)(C)c2ccccc2)s1 ZINC000844531056 1321617311 /nfs/dbraw/zinc/61/73/11/1321617311.db2.gz GEEHQUVHSDZJQL-UHFFFAOYSA-N -1 0 332.429 3.493 20 30 EGEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1coc2ccc(Cl)cc12 ZINC000845451614 1321709095 /nfs/dbraw/zinc/70/90/95/1321709095.db2.gz ONPDDOUJATZHQJ-ZDUSSCGKSA-N -1 0 330.771 3.467 20 30 EGEDRM C=CCC1(C(=O)[N-]S(=O)(=O)Cc2ccc(Cl)cc2)CCC1 ZINC000845889338 1321750853 /nfs/dbraw/zinc/75/08/53/1321750853.db2.gz SQIGANSVKSASTR-UHFFFAOYSA-N -1 0 327.833 3.032 20 30 EGEDRM C=C(C)CO[N-]C(=O)CSc1nc(C)c(Cc2ccccc2)[nH]1 ZINC000846539671 1321792019 /nfs/dbraw/zinc/79/20/19/1321792019.db2.gz COMLSKGXGKFJEZ-UHFFFAOYSA-N -1 0 331.441 3.025 20 30 EGEDRM CC(C)(C)c1cccc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCCC2)c1 ZINC000847676085 1321891506 /nfs/dbraw/zinc/89/15/06/1321891506.db2.gz HQRGXAMESHNWEF-UHFFFAOYSA-N -1 0 348.468 3.128 20 30 EGEDRM COCCCOc1cccc(C=NNc2ccc(CC(=O)[O-])cc2)c1 ZINC000848415949 1321958588 /nfs/dbraw/zinc/95/85/88/1321958588.db2.gz UCHQEZLTMOVKLU-UHFFFAOYSA-N -1 0 342.395 3.175 20 30 EGEDRM C=CCC[C@H](NC(=O)c1cccc(SC(F)(F)F)c1)C(=O)[O-] ZINC000849184540 1322095347 /nfs/dbraw/zinc/09/53/47/1322095347.db2.gz RFWAWRGBVQYHRQ-NSHDSACASA-N -1 0 333.331 3.448 20 30 EGEDRM Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C\c1c(C3CC3)cnn1C)CC2 ZINC000849244004 1322100434 /nfs/dbraw/zinc/10/04/34/1322100434.db2.gz QXCLTKCWSYRVRV-XFFZJAGNSA-N -1 0 326.352 3.110 20 30 EGEDRM Cc1c(C(=O)/C=C\c2ccc(C(=O)[O-])cc2)nnn1-c1ccccc1 ZINC000920389119 1322171253 /nfs/dbraw/zinc/17/12/53/1322171253.db2.gz KUOYMETUQDDUDS-XFXZXTDPSA-N -1 0 333.347 3.170 20 30 EGEDRM Cc1cc(Br)cc(C([O-])=C(C#N)C(=O)N2CCCC2)c1C ZINC000850752131 1322284449 /nfs/dbraw/zinc/28/44/49/1322284449.db2.gz LKSVPKAMYXGKRL-AWEZNQCLSA-N -1 0 349.228 3.011 20 30 EGEDRM CCCCCCCC[C@H](C)C(=O)[N-]S(=O)(=O)c1cnn(CC)c1 ZINC000850878285 1322304846 /nfs/dbraw/zinc/30/48/46/1322304846.db2.gz KWDKXGLRYDZERU-AWEZNQCLSA-N -1 0 343.493 3.095 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@H]2CC[C@H](C3CCC3)CC2)CC1 ZINC000851031611 1322326139 /nfs/dbraw/zinc/32/61/39/1322326139.db2.gz FSXYCAHRWWTWPM-SHTZXODSSA-N -1 0 325.474 3.148 20 30 EGEDRM C#CCCCCCC(=O)[N-]S(=O)(=O)Cc1cc(F)ccc1Cl ZINC000851168683 1322342906 /nfs/dbraw/zinc/34/29/06/1322342906.db2.gz HSUSTBXOIDQNNT-UHFFFAOYSA-N -1 0 345.823 3.009 20 30 EGEDRM C=C[C@@](C)(CCOC)C(=O)Nc1cc(C(=O)[O-])cc2cccnc21 ZINC000923120419 1322696039 /nfs/dbraw/zinc/69/60/39/1322696039.db2.gz RRYMIKWQMFXWBE-SFHVURJKSA-N -1 0 328.368 3.100 20 30 EGEDRM C=CCCO[N-]C(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1C ZINC000856035553 1325441914 /nfs/dbraw/zinc/44/19/14/1325441914.db2.gz CSUPJIZRZDIGEC-HNNXBMFYSA-N -1 0 334.416 3.185 20 30 EGEDRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CCC[C@H](C#N)C3)n2)cc1 ZINC000928221412 1328241519 /nfs/dbraw/zinc/24/15/19/1328241519.db2.gz OZNFOLYOLXWJKL-CQSZACIVSA-N -1 0 338.411 3.077 20 30 EGEDRM CC(C)(C)OC(=O)N[C@H]1CCC(N=Nc2ccc(C(=O)[O-])cc2)C1 ZINC000863063532 1329527124 /nfs/dbraw/zinc/52/71/24/1329527124.db2.gz UBJPGKFYUXBNRV-ZDUSSCGKSA-N -1 0 333.388 3.230 20 30 EGEDRM CC(C)(C)OC(=O)N[C@@H]1CCC(N=Nc2ccc(CC(=O)[O-])cc2)C1 ZINC000863126485 1329529986 /nfs/dbraw/zinc/52/99/86/1329529986.db2.gz JUAKLZQKBBQCTN-CQSZACIVSA-N -1 0 347.415 3.159 20 30 EGEDRM O=C([O-])c1cc(/C=C2\S/C(=N\C3CCCCC3)NC2=O)ccc1F ZINC000863181122 1329532301 /nfs/dbraw/zinc/53/23/01/1329532301.db2.gz VVAVMSMQHZFBJL-ZROIWOOFSA-N -1 0 348.399 3.417 20 30 EGEDRM C=C[C@@H](C)O[N-]C(=O)Cc1sc(C)nc1-c1ccc(OC)cc1 ZINC000869154314 1330425838 /nfs/dbraw/zinc/42/58/38/1330425838.db2.gz QSFUKHJUXOMLOI-LLVKDONJSA-N -1 0 332.425 3.292 20 30 EGEDRM N#Cc1cc(Cl)c(Cl)cc1[N-]S(=O)(=O)C1CCC(=O)CC1 ZINC001194809233 1368328657 /nfs/dbraw/zinc/32/86/57/1368328657.db2.gz KQVAYZPXMTXRGB-UHFFFAOYSA-N -1 0 347.223 3.118 20 30 EGEDRM N#Cc1cnnc(-c2ccccc2)c1NC(=O)CCC(=O)C1=CC=C[CH]1 ZINC001184241382 1387418595 /nfs/dbraw/zinc/41/85/95/1387418595.db2.gz RQXUPCMKWNASNY-UHFFFAOYSA-N -1 0 343.366 3.004 20 30 EGEDRM O=C(CCC(=O)N(Cc1ccccc1)C1CCOCC1)C1=CC=C[CH]1 ZINC001184243020 1387418623 /nfs/dbraw/zinc/41/86/23/1387418623.db2.gz BIBZOLFEPOYVLC-UHFFFAOYSA-N -1 0 338.427 3.244 20 30 EGEDRM CC1(C)COC(c2ccccc2NC(=O)CCC(=O)C2=CC=C[CH]2)=N1 ZINC001184243893 1387418804 /nfs/dbraw/zinc/41/88/04/1387418804.db2.gz KRDCFMVXAPQMFL-UHFFFAOYSA-N -1 0 337.399 3.230 20 30 EGEDRM N#Cc1ncc(F)cc1[N-]S(=O)(=O)c1cc2ccccc2s1 ZINC001185433766 1387715533 /nfs/dbraw/zinc/71/55/33/1387715533.db2.gz OKBPWBJHINGZFQ-UHFFFAOYSA-N -1 0 333.369 3.108 20 30 EGEDRM N#Cc1cccc(O)c1[N-]S(=O)(=O)c1ccc(F)c2ccccc21 ZINC001189388452 1367009210 /nfs/dbraw/zinc/00/92/10/1367009210.db2.gz GLMQMNCFBMXRRF-UHFFFAOYSA-N -1 0 342.351 3.357 20 30 EGEDRM N#Cc1ccc(Cl)cc1[N-]S(=O)(=O)Cc1cccc(F)c1F ZINC001189453240 1367025942 /nfs/dbraw/zinc/02/59/42/1367025942.db2.gz GVTIUPBGKFMVLR-UHFFFAOYSA-N -1 0 342.754 3.432 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)c2ncc(F)cc2F)c2ccccc12 ZINC001190133488 1367181337 /nfs/dbraw/zinc/18/13/37/1367181337.db2.gz BAJCNLRVKGGSDW-UHFFFAOYSA-N -1 0 345.330 3.185 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2nc(Cl)ccc2Cl)c1 ZINC001190619188 1367309914 /nfs/dbraw/zinc/30/99/14/1367309914.db2.gz ARRUAVUJUFBRBI-UHFFFAOYSA-N -1 0 346.170 3.200 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cccc(C(F)F)c2)c1 ZINC001190648134 1367315765 /nfs/dbraw/zinc/31/57/65/1367315765.db2.gz IQDADRWDPUCQHZ-UHFFFAOYSA-N -1 0 326.299 3.436 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]c2ccccc2C(=O)N(CC)CC)CC1 ZINC001190815607 1367357238 /nfs/dbraw/zinc/35/72/38/1367357238.db2.gz RNVQGEJSFSDSLS-UHFFFAOYSA-N -1 0 336.457 3.019 20 30 EGEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ncc(Cl)cc2F)c1 ZINC001190932398 1367383950 /nfs/dbraw/zinc/38/39/50/1367383950.db2.gz HEWJXLGRBRPMTE-UHFFFAOYSA-N -1 0 346.170 3.200 20 30 EGEDRM N#Cc1cccc(Br)c1[N-]S(=O)(=O)CC1CCCC1 ZINC001191526593 1367522020 /nfs/dbraw/zinc/52/20/20/1367522020.db2.gz GSDGQWDKQPFALO-UHFFFAOYSA-N -1 0 343.246 3.253 20 30 EGEDRM C[C@H](C#N)S(=O)(=O)[N-]c1cccc2c(Br)cccc12 ZINC001193097873 1367942663 /nfs/dbraw/zinc/94/26/63/1367942663.db2.gz UODGNRPMDPHJLB-SECBINFHSA-N -1 0 339.214 3.256 20 30 EGEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1c(Cl)ccc2nc(Cl)ccc21 ZINC001193146708 1367953911 /nfs/dbraw/zinc/95/39/11/1367953911.db2.gz REMHMEMETQERSB-ZETCQYMHSA-N -1 0 330.196 3.195 20 30 EGEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1cc(F)ccc1OC1CCCCC1 ZINC001193157825 1367956322 /nfs/dbraw/zinc/95/63/22/1367956322.db2.gz IRPAEBUHIHFYCF-NSHDSACASA-N -1 0 326.393 3.191 20 30 EGEDRM CCOC(=O)c1[nH]c2ccccc2c1NC(=O)c1cccc(C#N)c1[O-] ZINC001193634887 1368081035 /nfs/dbraw/zinc/08/10/35/1368081035.db2.gz KZPWLJHWTAYVGS-UHFFFAOYSA-N -1 0 349.346 3.174 20 30 EGEDRM N#Cc1cccc(C(=O)Nc2c(C#N)cccc2C(F)(F)F)c1[O-] ZINC001193652848 1368085942 /nfs/dbraw/zinc/08/59/42/1368085942.db2.gz PZVYRMLMLGCZOT-UHFFFAOYSA-N -1 0 331.253 3.407 20 30 EGEDRM N#Cc1cccc(C(=O)Nc2cc(OC(F)(F)F)ccc2O)c1[O-] ZINC001193652645 1368086055 /nfs/dbraw/zinc/08/60/55/1368086055.db2.gz KZQOSKGPIJQZLQ-UHFFFAOYSA-N -1 0 338.241 3.120 20 30 EGEDRM CCCCCCCOC(=O)N1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC001194004615 1368165556 /nfs/dbraw/zinc/16/55/56/1368165556.db2.gz XYAJHWWTQUWXDO-UHFFFAOYSA-N -1 0 348.443 3.257 20 30 EGEDRM COc1cc(C)c(S(=O)(=O)[N-]c2ccsc2C#N)c(C)c1C ZINC001194836892 1368331994 /nfs/dbraw/zinc/33/19/94/1368331994.db2.gz GZMDQZXWVUWVKP-UHFFFAOYSA-N -1 0 336.438 3.354 20 30 EGEDRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1cnc(C#N)c(Cl)c1 ZINC001195277429 1368413066 /nfs/dbraw/zinc/41/30/66/1368413066.db2.gz HOQDMXYOKKCTRV-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM Cc1cnn(-c2ccc(C)cc2)c1NC(=O)c1ccc(C#N)cc1[O-] ZINC001195741267 1368481149 /nfs/dbraw/zinc/48/11/49/1368481149.db2.gz RELLLAPYPWEZSQ-UHFFFAOYSA-N -1 0 332.363 3.319 20 30 EGEDRM N#Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(Cl)cn1 ZINC001196246076 1368576446 /nfs/dbraw/zinc/57/64/46/1368576446.db2.gz WUKCFDZTNIVWDF-UHFFFAOYSA-N -1 0 328.180 3.061 20 30 EGEDRM Cc1noc2ccc([N-]S(=O)(=O)c3cc(Cl)ccc3C#N)cc12 ZINC001196680585 1368660788 /nfs/dbraw/zinc/66/07/88/1368660788.db2.gz SHMHKNUDRKOZHJ-UHFFFAOYSA-N -1 0 347.783 3.462 20 30 EGEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(F)cc1C#N ZINC001196680178 1368660883 /nfs/dbraw/zinc/66/08/83/1368660883.db2.gz DLVPWBXPXHCNAT-UHFFFAOYSA-N -1 0 335.747 3.023 20 30 EGEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)CC2 ZINC001196679947 1368661082 /nfs/dbraw/zinc/66/10/82/1368661082.db2.gz RSFMHZSDCBIQSV-UHFFFAOYSA-N -1 0 346.795 3.141 20 30 EGEDRM CCCCCCCC(=O)c1ccc([O-])c(C(=O)Nc2nonc2N)c1 ZINC001197364520 1368799706 /nfs/dbraw/zinc/79/97/06/1368799706.db2.gz BBGHDOGJLRMTNC-UHFFFAOYSA-N -1 0 346.387 3.153 20 30 EGEDRM N#Cc1ccnc([N-]S(=O)(=O)Cc2cc(Cl)ccc2Cl)c1 ZINC001197494566 1368825917 /nfs/dbraw/zinc/82/59/17/1368825917.db2.gz JFXAFMOGSGSGKW-UHFFFAOYSA-N -1 0 342.207 3.202 20 30 EGEDRM N#Cc1c(F)ccc(F)c1[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC001197608177 1368853652 /nfs/dbraw/zinc/85/36/52/1368853652.db2.gz OGTFUPVVEMLKFZ-UHFFFAOYSA-N -1 0 344.289 3.057 20 30 EGEDRM Cc1ccnc(S(=O)(=O)[N-]c2c(Cl)cc(Cl)cc2C#N)c1 ZINC001198000401 1368939515 /nfs/dbraw/zinc/93/95/15/1368939515.db2.gz WSVVXMKIHIJQNB-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2cnc3cccc(F)c3c2)cc1C#N ZINC001201294603 1369512146 /nfs/dbraw/zinc/51/21/46/1369512146.db2.gz BFBLDVGRPUUDHT-UHFFFAOYSA-N -1 0 341.367 3.355 20 30 EGEDRM Cc1sc([N-]S(=O)(=O)c2ccc(C)c(C#N)c2)c(C#N)c1C ZINC001201292588 1369512189 /nfs/dbraw/zinc/51/21/89/1369512189.db2.gz FLODPNKFPMAUGV-UHFFFAOYSA-N -1 0 331.422 3.218 20 30 EGEDRM COc1cc(C#N)c(F)cc1NC(=O)c1cc(F)c(F)c([O-])c1F ZINC001186778576 1388008318 /nfs/dbraw/zinc/00/83/18/1388008318.db2.gz BYLBFEWXVFECNH-UHFFFAOYSA-N -1 0 340.232 3.081 20 30 EGEDRM N#Cc1cc(F)cc([N-]S(=O)(=O)c2cc3c(s2)CCCC3)c1 ZINC001187206427 1388070975 /nfs/dbraw/zinc/07/09/75/1388070975.db2.gz ATXWZMUMZBNSEJ-UHFFFAOYSA-N -1 0 336.413 3.438 20 30 EGEDRM O=C(CCc1nc(-c2ccncc2Br)no1)C1=CC=C[CH]1 ZINC001204655947 1370537990 /nfs/dbraw/zinc/53/79/90/1370537990.db2.gz BEJOVOQSSMLUEW-UHFFFAOYSA-N -1 0 345.176 3.096 20 30 EGEDRM Cc1cc(N=Cc2cc([N+](=O)[O-])ccc2[O-])ccc1N1CCCC1=O ZINC001115824021 1370794333 /nfs/dbraw/zinc/79/43/33/1370794333.db2.gz OKSMNNKUCHNLRE-UHFFFAOYSA-N -1 0 339.351 3.486 20 30 EGEDRM C=CC[C@@H](NC(=O)C[C@H](C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC001116922732 1371001004 /nfs/dbraw/zinc/00/10/04/1371001004.db2.gz ZUMFYIDRJOBSJU-GXFFZTMASA-N -1 0 329.318 3.345 20 30 EGEDRM COC(=O)c1cc(C#N)ccc1Nc1cc(C(=O)[O-])cc(F)c1C ZINC001210008467 1372254816 /nfs/dbraw/zinc/25/48/16/1372254816.db2.gz YCQVYXRATGJMEN-UHFFFAOYSA-N -1 0 328.299 3.234 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2cnn3c2nc(C)cc3C(F)F)n1 ZINC001122479249 1372256013 /nfs/dbraw/zinc/25/60/13/1372256013.db2.gz JYNNURJIMJLWDS-VIFPVBQESA-N -1 0 347.350 3.230 20 30 EGEDRM Cc1ccc(C#N)c([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)c1 ZINC001187925213 1388192225 /nfs/dbraw/zinc/19/22/25/1388192225.db2.gz INVQKVSOPVMVBR-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM N#Cc1cnc(Nc2ccc([O-])c([N+](=O)[O-])c2)c(Br)c1 ZINC001210392729 1372341149 /nfs/dbraw/zinc/34/11/49/1372341149.db2.gz IOSPLBWNQHLPGR-UHFFFAOYSA-N -1 0 335.117 3.073 20 30 EGEDRM N#Cc1cc(Nc2cccc3cc(S(=O)(=O)[O-])ccc32)ccc1O ZINC001210533027 1372373288 /nfs/dbraw/zinc/37/32/88/1372373288.db2.gz RQMQMNOYGADVAF-UHFFFAOYSA-N -1 0 340.360 3.407 20 30 EGEDRM Cc1cc(S(=O)(=O)[O-])c(NC2=CC(=O)C[C@@H](C)C2)cc1Cl ZINC001210773020 1372424121 /nfs/dbraw/zinc/42/41/21/1372424121.db2.gz QHJDBLBODJBFEN-QMMMGPOBSA-N -1 0 329.805 3.190 20 30 EGEDRM Cc1cc(Nc2ccc(C#N)nc2Br)cc(C(=O)[O-])c1 ZINC001211534590 1372575172 /nfs/dbraw/zinc/57/51/72/1372575172.db2.gz AEFIIHFGOIHAEX-UHFFFAOYSA-N -1 0 332.157 3.466 20 30 EGEDRM CCCCCCCCS(=O)(=O)Nc1cccc(S(=O)(=O)[O-])c1 ZINC001188012898 1388214646 /nfs/dbraw/zinc/21/46/46/1388214646.db2.gz ISOZJIYHIBEUPL-UHFFFAOYSA-N -1 0 349.474 3.036 20 30 EGEDRM Cc1csc([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)c1C#N ZINC001188034925 1388223302 /nfs/dbraw/zinc/22/33/02/1388223302.db2.gz XXXOGCJQCYWZBF-UHFFFAOYSA-N -1 0 348.236 3.431 20 30 EGEDRM N#Cc1cccc(Nc2ccc(NC(=O)CCC(=O)[O-])cc2)c1F ZINC001213190020 1372856018 /nfs/dbraw/zinc/85/60/18/1372856018.db2.gz QVLUYFKFHPAOKV-UHFFFAOYSA-N -1 0 327.315 3.244 20 30 EGEDRM N#Cc1ccc(Oc2ccc(-c3noc(-c4cc(=O)[nH][n-]4)n3)cc2)cc1 ZINC001213313566 1372881794 /nfs/dbraw/zinc/88/17/94/1372881794.db2.gz BXNFUYUOSKEUTN-UHFFFAOYSA-N -1 0 345.318 3.496 20 30 EGEDRM COC(=O)c1cc(C#N)cc(Nc2c(F)cc(C(=O)[O-])cc2F)c1 ZINC001215614482 1373217844 /nfs/dbraw/zinc/21/78/44/1373217844.db2.gz IZKYNHFJGAPTGP-UHFFFAOYSA-N -1 0 332.262 3.065 20 30 EGEDRM CNC(=O)c1cc(C#N)cc(C)c1Nc1cc(C)c(C(=O)[O-])c(C)c1 ZINC001216312133 1373298770 /nfs/dbraw/zinc/29/87/70/1373298770.db2.gz BTULZPSOCYHPQP-UHFFFAOYSA-N -1 0 337.379 3.285 20 30 EGEDRM N#Cc1cc(-c2nc(-c3ccc(-n4cccn4)cc3)no2)ccc1[O-] ZINC001216969823 1373373427 /nfs/dbraw/zinc/37/34/27/1373373427.db2.gz RTMONJAZVQRDNY-UHFFFAOYSA-N -1 0 329.319 3.167 20 30 EGEDRM N#Cc1ccc(-c2nc(-c3ccccc3-n3ccnc3)no2)c([O-])c1 ZINC001217039761 1373382146 /nfs/dbraw/zinc/38/21/46/1373382146.db2.gz YXQVUKJRQXMNBJ-UHFFFAOYSA-N -1 0 329.319 3.167 20 30 EGEDRM Cc1c(N=NC[C@@H](C)CNC(=O)OC(C)(C)C)cccc1C(=O)[O-] ZINC001326715880 1388288960 /nfs/dbraw/zinc/28/89/60/1388288960.db2.gz ONBSSNVXBBOHMF-NSHDSACASA-N -1 0 335.404 3.252 20 30 EGEDRM COC(=O)c1ncc2n1CCC[C@H]2O/C(=N\[O-])c1ccc(Cl)cc1 ZINC001223592544 1375039817 /nfs/dbraw/zinc/03/98/17/1375039817.db2.gz BZYRDKPNNGSYJC-YSYRGXBVSA-N -1 0 349.774 3.011 20 30 EGEDRM C=CC[C@@H](NC(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC001326931958 1388354169 /nfs/dbraw/zinc/35/41/69/1388354169.db2.gz WOZWOQFMTBPLSK-JOYOIKCWSA-N -1 0 330.306 3.095 20 30 EGEDRM O=C1OCCN1CCO[C@@H](/C(=N\O)c1ccccc1)c1ccccc1 ZINC001225063398 1375090890 /nfs/dbraw/zinc/09/08/90/1375090890.db2.gz QKHFKNPJVPIEQN-FBKQIBBUSA-N -1 0 340.379 3.075 20 30 EGEDRM C=CC[C@@H](NC(=O)c1ccccc1SCc1ccco1)C(=O)[O-] ZINC001327013443 1388364604 /nfs/dbraw/zinc/36/46/04/1388364604.db2.gz LIIIGUHFUKZNKL-CQSZACIVSA-N -1 0 331.393 3.331 20 30 EGEDRM CCC[C@H](C#Cc1ccccc1)Oc1[n-]c(=O)nc2ncsc21 ZINC001227611811 1375452761 /nfs/dbraw/zinc/45/27/61/1375452761.db2.gz SJICXPACTPMZLW-CYBMUJFWSA-N -1 0 325.393 3.391 20 30 EGEDRM C#C[C@@H]1CCC[C@H]1Oc1c(Cl)cc(S(=O)(=O)[O-])cc1Cl ZINC001227635896 1375457326 /nfs/dbraw/zinc/45/73/26/1375457326.db2.gz VILBWSIRMFAYQN-PRHODGIISA-N -1 0 335.208 3.421 20 30 EGEDRM C#C[C@H]1CCC[C@@H]1Oc1c(Cl)cc(S(=O)(=O)[O-])cc1Cl ZINC001227635900 1375457441 /nfs/dbraw/zinc/45/74/41/1375457441.db2.gz VILBWSIRMFAYQN-UFBFGSQYSA-N -1 0 335.208 3.421 20 30 EGEDRM N#CC[C@@H](Oc1nc(C2CC2)[n-]c(=O)c1[N+](=O)[O-])c1ccccc1 ZINC001228604583 1375614098 /nfs/dbraw/zinc/61/40/98/1375614098.db2.gz VGPLBOWOAAKWPC-GFCCVEGCSA-N -1 0 326.312 3.002 20 30 EGEDRM CC(C)(C)OC(=O)N1CC[C@H](Oc2[n-]c(=O)ccc2C#N)CC1(C)C ZINC001228904995 1375711126 /nfs/dbraw/zinc/71/11/26/1375711126.db2.gz DVHBPBGCISDWQQ-ZDUSSCGKSA-N -1 0 347.415 3.216 20 30 EGEDRM Cc1cc(C#N)c([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1F ZINC001259091492 1377121141 /nfs/dbraw/zinc/12/11/41/1377121141.db2.gz ITCDEYIMJLCIDT-UHFFFAOYSA-N -1 0 326.299 3.085 20 30 EGEDRM Cc1cc(C#N)cc(NC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])c1 ZINC001142126926 1378414219 /nfs/dbraw/zinc/41/42/19/1378414219.db2.gz FWNRSPWFESVKSG-UHFFFAOYSA-N -1 0 336.326 3.149 20 30 EGEDRM N#Cc1ccc2[nH]c(NC(=O)c3cccc(C(F)(F)F)c3[O-])nc2c1 ZINC001149885025 1379460856 /nfs/dbraw/zinc/46/08/56/1379460856.db2.gz YRRSJQVPQCNNFB-UHFFFAOYSA-N -1 0 346.268 3.411 20 30 EGEDRM N#Cc1c[nH]c2cc(NC(=O)c3cc(=O)c4cccc(O)c4[n-]3)ccc12 ZINC001152680587 1379968868 /nfs/dbraw/zinc/96/88/68/1379968868.db2.gz PVLFIJIDYIARHM-UHFFFAOYSA-N -1 0 344.330 3.251 20 30 EGEDRM COC(=O)c1cc(C#N)cc(C)c1Nc1ccc(C(=O)[O-])cc1OC ZINC001174680478 1385133654 /nfs/dbraw/zinc/13/36/54/1385133654.db2.gz XHFAIQZMPLNDNJ-UHFFFAOYSA-N -1 0 340.335 3.104 20 30 EGEDRM N#Cc1cc(F)cc(Nc2ccc(S(=O)(=O)[O-])cc2Cl)c1 ZINC001175684835 1385374346 /nfs/dbraw/zinc/37/43/46/1385374346.db2.gz UKCRMYVEZWWGPA-UHFFFAOYSA-N -1 0 326.736 3.341 20 30 EGEDRM CCCCCC[C@H](C)CC(=O)[N-]S(=O)(=O)c1ccccc1C#N ZINC001318271275 1385639159 /nfs/dbraw/zinc/63/91/59/1385639159.db2.gz ZGTRDHVPDRDQSL-AWEZNQCLSA-N -1 0 336.457 3.360 20 30 EGEDRM C=CC[C@@H](NC(=O)NCC1CCC(c2ccccc2)CC1)C(=O)[O-] ZINC001321145515 1386821525 /nfs/dbraw/zinc/82/15/25/1386821525.db2.gz UJMBNMZSZWTLJR-BDVYOWHSSA-N -1 0 330.428 3.289 20 30 EGEDRM C=CC[C@@H](NC(=O)c1cc2c(s1)-c1ccccc1OC2)C(=O)[O-] ZINC001321206750 1386841177 /nfs/dbraw/zinc/84/11/77/1386841177.db2.gz RAXSUITXQSOPPQ-GFCCVEGCSA-N -1 0 329.377 3.067 20 30 EGEDRM COc1nc(Cl)c(/C=C/C(=O)c2cc(Cl)ccc2[O-])n1C ZINC001322495284 1387195951 /nfs/dbraw/zinc/19/59/51/1387195951.db2.gz LOIFFPNDPGAYLA-GQCTYLIASA-N -1 0 327.167 3.337 20 30 EGEDRM C=CC[C@H](NC(=O)NCCCc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC001322513608 1387198862 /nfs/dbraw/zinc/19/88/62/1387198862.db2.gz GXINOEPFUXZWKO-ZDUSSCGKSA-N -1 0 345.226 3.255 20 30 EGEDRM C=CCC[C@H]1CCCN1c1nnc(-c2ccc([O-])c([N+](=O)[O-])c2)n1C ZINC001338408318 1389676566 /nfs/dbraw/zinc/67/65/66/1389676566.db2.gz XQOMTCAILFWUDD-ZDUSSCGKSA-N -1 0 343.387 3.031 20 30 EGEDRM CCOC(=O)COc1ccc(/C=C/C(=O)c2cc(F)ccc2[O-])cc1 ZINC001332222588 1390055564 /nfs/dbraw/zinc/05/55/64/1390055564.db2.gz FXXYXNUEKRZZJV-WEVVVXLNSA-N -1 0 344.338 3.369 20 30 EGEDRM C=CCn1c(-c2c[n-]n(CC)c2=O)nnc1N1CCCC(C)(C)CC1 ZINC001342025767 1390563068 /nfs/dbraw/zinc/56/30/68/1390563068.db2.gz IBUKLKATEUAZFG-UHFFFAOYSA-N -1 0 344.463 3.070 20 30 EGEDRM C=C(C)Cn1c(-c2c[nH]oc2=O)nnc1N(C)[C@H](C)c1ccco1 ZINC001342190545 1390583443 /nfs/dbraw/zinc/58/34/43/1390583443.db2.gz YLAOYGFZVYIPHY-LLVKDONJSA-N -1 0 329.360 3.005 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cnn(C2CCCCC2)c1 ZINC001342561610 1390626681 /nfs/dbraw/zinc/62/66/81/1390626681.db2.gz UJRBAUYYXSSMHF-QGZVFWFLSA-N -1 0 344.459 3.407 20 30 EGEDRM COc1cc(C([O-])=C(C#N)C(=O)c2c(C)[nH]c3ccccc32)ccn1 ZINC001343316684 1390706835 /nfs/dbraw/zinc/70/68/35/1390706835.db2.gz MHVLLBOCWGALKL-CQSZACIVSA-N -1 0 333.347 3.085 20 30 EGEDRM CCCc1cc(C([O-])=C(C#N)c2nccn2Cc2ccccc2)n[nH]1 ZINC001343705889 1390732111 /nfs/dbraw/zinc/73/21/11/1390732111.db2.gz VUUDWHHSINJXIJ-MRXNPFEDSA-N -1 0 333.395 3.097 20 30 EGEDRM N#CC(=C([O-])c1cnc(OCc2ccccc2)cn1)c1cccc(F)n1 ZINC001344038114 1390751640 /nfs/dbraw/zinc/75/16/40/1390751640.db2.gz YZNAKTVSROKRAC-CQSZACIVSA-N -1 0 348.337 3.080 20 30 EGEDRM C=CC[C@@H](NC(=O)N[C@@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC001344466356 1390793088 /nfs/dbraw/zinc/79/30/88/1390793088.db2.gz ZVEFAYKGBLZMNT-JOYOIKCWSA-N -1 0 330.306 3.095 20 30 EGEDRM CCn1ccnc1C(C#N)=C([O-])C(CC)(CC)C(=O)OC(C)(C)C ZINC001345646670 1390871887 /nfs/dbraw/zinc/87/18/87/1390871887.db2.gz MMIIDBCGMSNWIT-CYBMUJFWSA-N -1 0 333.432 3.227 20 30 EGEDRM CC(C)n1ccc(C([O-])=C(C#N)c2nc3c(cccc3Cl)[nH]2)n1 ZINC001345672951 1390874717 /nfs/dbraw/zinc/87/47/17/1390874717.db2.gz FLMSCPRXRYCHII-SNVBAGLBSA-N -1 0 327.775 3.484 20 30 EGEDRM CCO[C@H](C)c1ncc(C([O-])=C(C#N)c2ncc(Cl)n2C)s1 ZINC001346095575 1390907020 /nfs/dbraw/zinc/90/70/20/1390907020.db2.gz GOUIEAVOUOEDST-BDAKNGLRSA-N -1 0 338.820 3.118 20 30 EGEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1cc(F)cc2ccoc21 ZINC001346228258 1390916656 /nfs/dbraw/zinc/91/66/56/1390916656.db2.gz HEWMDHZVWYDACC-HNNXBMFYSA-N -1 0 328.343 3.343 20 30 EGEDRM N#CCCCOC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737687814 1428752201 /nfs/dbraw/zinc/75/22/01/1428752201.db2.gz MQYJXXSYMPUPRA-UHFFFAOYSA-N -1 0 349.350 3.120 20 30 EGEDRM N#C[C@H](c1ccccc1)[C@@H]1CCCN1c1cccc(F)c1-c1nn[n-]n1 ZINC000822801462 1428804669 /nfs/dbraw/zinc/80/46/69/1428804669.db2.gz JQWJZYBMIPZOGI-ZBFHGGJFSA-N -1 0 348.385 3.282 20 30 EGEDRM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1cccc(OC(F)F)c1 ZINC000826402084 1424001662 /nfs/dbraw/zinc/00/16/62/1424001662.db2.gz MNNFNEXPDQQOBH-CMDGGOBGSA-N -1 0 342.305 3.364 20 30 EGEDRM CCC[C@@H](CN=Nc1oc(C)nc1-c1nn[n-]n1)c1ccccc1 ZINC000825234400 1426419156 /nfs/dbraw/zinc/41/91/56/1426419156.db2.gz ZRRJWXMXCKLNFL-ZDUSSCGKSA-N -1 0 325.376 3.145 20 30 EGEDRM CC(C)(C#N)c1ccccc1CNc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000819892089 1426748010 /nfs/dbraw/zinc/74/80/10/1426748010.db2.gz UDPWPOPACSFPGU-UHFFFAOYSA-N -1 0 336.374 3.419 20 30 EGEDRM Cc1nc(-c2nn[n-]n2)c(N=NC(Cc2ccc(C)cc2)C(C)C)o1 ZINC000737329848 1427177296 /nfs/dbraw/zinc/17/72/96/1427177296.db2.gz OERTZHYXOVZZMV-UHFFFAOYSA-N -1 0 339.403 3.138 20 30 EGEDRM CCCCCC[C@@H](C)NN=Cc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000821050358 1427362146 /nfs/dbraw/zinc/36/21/46/1427362146.db2.gz RCRMQCLELQHDMK-CYBMUJFWSA-N -1 0 330.436 3.158 20 30 EGEDRM O=C1C(=Cc2cc(-c3nn[n-]n3)cs2)CSc2c(F)cccc21 ZINC000823503929 1427575068 /nfs/dbraw/zinc/57/50/68/1427575068.db2.gz KSLVZQWWDBMWSF-YWEYNIOJSA-N -1 0 344.396 3.439 20 30 EGEDRM Clc1cc(-c2nn[n-]n2)cc(N=NC[C@H]2C[C@H]2c2ccccc2)n1 ZINC000826349965 1427813619 /nfs/dbraw/zinc/81/36/19/1427813619.db2.gz BIAVYLQCRPZMFN-OLZOCXBDSA-N -1 0 339.790 3.117 20 30 EGEDRM C=CCOc1ccccc1C=CC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000823931873 1429930038 /nfs/dbraw/zinc/93/00/38/1429930038.db2.gz INVLVPFUKKPZDF-BQYQJAHWSA-N -1 0 338.392 3.389 20 30 EGEDRM O=C1C(=Cc2ccc(-c3nn[n-]n3)s2)CSc2ccc(F)cc21 ZINC000823503744 1441789671 /nfs/dbraw/zinc/78/96/71/1441789671.db2.gz IGYQSHVOQJDCEV-YVMONPNESA-N -1 0 344.396 3.439 20 30 EGEDRM Fc1ccc(CON=Cc2ccc(Cl)cc2)c(-c2nn[n-]n2)c1 ZINC000737649536 1441809401 /nfs/dbraw/zinc/80/94/01/1441809401.db2.gz PDIZLOQDBLTAAN-UHFFFAOYSA-N -1 0 331.738 3.210 20 30 EGEDRM CCOc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821418262 1442296996 /nfs/dbraw/zinc/29/69/96/1442296996.db2.gz YISXINHIQQSSHI-CLFYSBASSA-N -1 0 326.381 3.223 20 30 EGEDRM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1cccc(F)c1F ZINC000826400235 1442432379 /nfs/dbraw/zinc/43/23/79/1442432379.db2.gz SSHZNFLQRZMHNK-VOTSOKGWSA-N -1 0 330.269 3.180 20 30 EGEDRM CCC(N=Nc1oc(C(C)C)nc1-c1nn[n-]n1)c1ccccc1F ZINC000825029780 1443423296 /nfs/dbraw/zinc/42/32/96/1443423296.db2.gz ZJCWCCHZEFTAHA-UHFFFAOYSA-N -1 0 343.366 3.343 20 30 EGEDRM COCc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC000826164391 1443614844 /nfs/dbraw/zinc/61/48/44/1443614844.db2.gz WOJIZOYAVOTZKM-TWGQIWQCSA-N -1 0 338.342 3.048 20 30 EGEDRM Cc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)cnc1Cl ZINC000826266108 1446256370 /nfs/dbraw/zinc/25/63/70/1446256370.db2.gz CFOSYQHBXFSRIF-GORDUTHDSA-N -1 0 343.749 3.259 20 30 EGEDRM Clc1cccc(C=NNc2cc(-c3nnn[n-]3)cc(Cl)n2)c1 ZINC000826353168 1446349714 /nfs/dbraw/zinc/34/97/14/1446349714.db2.gz DWWIIVQYQDUUCM-UHFFFAOYSA-N -1 0 334.170 3.015 20 30 EGEDRM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1cnn(-c2ccccc2)c1 ZINC000822924080 1446516887 /nfs/dbraw/zinc/51/68/87/1446516887.db2.gz WSDCXZPXUBIEMR-SREVYHEPSA-N -1 0 348.391 3.010 20 30 EGEDRM COc1ccccc1C=C1CCc2cc(-c3nn[n-]n3)ccc2C1=O ZINC000821890750 1446935305 /nfs/dbraw/zinc/93/53/05/1446935305.db2.gz PHRSCAPSVUIJHP-KAMYIIQDSA-N -1 0 332.363 3.088 20 30 EGEDRM C#CCCCCCC(=O)Nc1sc(C)c(CC)c1-c1nn[n-]n1 ZINC000823841249 1447127031 /nfs/dbraw/zinc/12/70/31/1447127031.db2.gz KLPIDDUEPWXGTI-UHFFFAOYSA-N -1 0 331.445 3.321 20 30 EGEDRM N#Cc1ccc(Sc2ccc(Cl)c(-c3nn[n-]n3)n2)c(F)c1 ZINC000822832519 1447241663 /nfs/dbraw/zinc/24/16/63/1447241663.db2.gz CDUWVTPBSYESLB-UHFFFAOYSA-N -1 0 332.751 3.077 20 30 EGEDRM C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@](CC)(C(=O)[O-])C1 ZINC001602718483 971375438 /nfs/dbraw/zinc/37/54/38/971375438.db2.gz NKWDXVKCIJBVNG-YLJYHZDGSA-N -1 0 344.455 3.460 20 30 EGEDRM C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@](CC)(C(=O)[O-])C1 ZINC001602718481 971375486 /nfs/dbraw/zinc/37/54/86/971375486.db2.gz NKWDXVKCIJBVNG-XLIONFOSSA-N -1 0 344.455 3.460 20 30 EGEDRM C=CCN(Cc1ccccc1F)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC001602722811 971390054 /nfs/dbraw/zinc/39/00/54/971390054.db2.gz RCZFZFBXDKKHSH-UHFFFAOYSA-N -1 0 342.370 3.422 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NCC1(c2ccc(F)cc2)CCCCC1 ZINC001602780751 971521003 /nfs/dbraw/zinc/52/10/03/971521003.db2.gz MVTUYKOYFAPPFX-GOSISDBHSA-N -1 0 346.402 3.148 20 30 EGEDRM CCCC[C@@H](ON=C(C)C)C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC001589640032 949678212 /nfs/dbraw/zinc/67/82/12/949678212.db2.gz VXHFJQWGKUBPSX-LSDHHAIUSA-N -1 0 326.437 3.204 20 30 EGEDRM CC(C)C[C@H](NC(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1)C(=O)[O-] ZINC001603047896 972110824 /nfs/dbraw/zinc/11/08/24/972110824.db2.gz AZTUUOSUVLETQR-AWEZNQCLSA-N -1 0 347.415 3.356 20 30 EGEDRM N#Cc1ccc(Br)c(CNCc2cccc(C(=O)[O-])c2)c1 ZINC001594617107 956246517 /nfs/dbraw/zinc/24/65/17/956246517.db2.gz DFLRQODZZMEIRR-UHFFFAOYSA-N -1 0 345.196 3.309 20 30 EGEDRM N#Cc1cc(NC(=O)N2CCC[C@H](CC(=O)[O-])C2)ccc1C1CC1 ZINC000887393006 956257828 /nfs/dbraw/zinc/25/78/28/956257828.db2.gz LLRLVZRSLFAJHC-GFCCVEGCSA-N -1 0 327.384 3.154 20 30 EGEDRM N#Cc1ccc(Nc2cccc(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)c2)cc1 ZINC001594624276 956304416 /nfs/dbraw/zinc/30/44/16/956304416.db2.gz XBAZGFUUHDGMHZ-QAPCUYQASA-N -1 0 349.390 3.285 20 30 EGEDRM N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001594626399 956317053 /nfs/dbraw/zinc/31/70/53/956317053.db2.gz ALWPMPLQDVRBDQ-KRWDZBQOSA-N -1 0 335.363 3.456 20 30 EGEDRM C[C@@H](OC(=O)[C@](C)(C#N)CC(=O)[O-])c1ccc(Br)cc1 ZINC001589154405 956363131 /nfs/dbraw/zinc/36/31/31/956363131.db2.gz UDRSTSGBVWAQIK-OTYXRUKQSA-N -1 0 340.173 3.058 20 30 EGEDRM COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)[O-])cc2)c(OC)c1 ZINC000006581388 956876186 /nfs/dbraw/zinc/87/61/86/956876186.db2.gz ZGKMVSQNQGRYFR-BJMVGYQFSA-N -1 0 342.347 3.063 20 30 EGEDRM CC(C)C[C@H](CNC(=O)N(C)[C@H](C)c1cccc(C#N)c1)CC(=O)[O-] ZINC001263070821 957289069 /nfs/dbraw/zinc/28/90/69/957289069.db2.gz JISIYHBXZVVQIL-ZBFHGGJFSA-N -1 0 345.443 3.398 20 30 EGEDRM COc1cc(C#N)cc(Cl)c1OC(=O)c1ccc(C(=O)[O-])cc1 ZINC001594049941 957970317 /nfs/dbraw/zinc/97/03/17/957970317.db2.gz FHGGVAZKARLFHB-UHFFFAOYSA-N -1 0 331.711 3.138 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)N[C@@H](CC1CCCC1)c1ccccc1 ZINC001588409089 958123197 /nfs/dbraw/zinc/12/31/97/958123197.db2.gz BOMHNUJIIOHUHO-KRWDZBQOSA-N -1 0 328.412 3.037 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)[C@@H]1CCCC[C@H]1c1cccc(Cl)c1 ZINC001588417435 958172189 /nfs/dbraw/zinc/17/21/89/958172189.db2.gz OHCUHYZXJLSZEC-JKSUJKDBSA-N -1 0 333.815 3.160 20 30 EGEDRM Cc1ccc(C2(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])CCCC2)c(C)c1 ZINC001594353055 958375580 /nfs/dbraw/zinc/37/55/80/958375580.db2.gz AHPJJGDPOXLDLI-LJQANCHMSA-N -1 0 342.439 3.236 20 30 EGEDRM C=CC[C@H](Cc1ccccc1)NC(=O)c1cccc(OCC(=O)[O-])c1 ZINC001588453140 958431385 /nfs/dbraw/zinc/43/13/85/958431385.db2.gz PJOYOTLZWUCCGO-QGZVFWFLSA-N -1 0 339.391 3.067 20 30 EGEDRM C=CCC[C@@H](C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)c1ccccc1 ZINC001588457293 958447938 /nfs/dbraw/zinc/44/79/38/958447938.db2.gz TUEUHWPSWUJOQT-FGTMMUONSA-N -1 0 327.424 3.306 20 30 EGEDRM C=CCn1c(SCCC2(C(=O)[O-])CCC2)nnc1-c1ccco1 ZINC001588473986 958553786 /nfs/dbraw/zinc/55/37/86/958553786.db2.gz AFCOXBULNXACMR-UHFFFAOYSA-N -1 0 333.413 3.461 20 30 EGEDRM C[C@@H](C(=O)[O-])C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N ZINC001588575526 959220249 /nfs/dbraw/zinc/22/02/49/959220249.db2.gz FKUCIDXYQJSSHJ-MRVPVSSYSA-N -1 0 346.330 3.370 20 30 EGEDRM Cc1c(C#N)cccc1NC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001594253072 959629385 /nfs/dbraw/zinc/62/93/85/959629385.db2.gz NNTTVYFSCCGVJS-DLBZAZTESA-N -1 0 349.390 3.199 20 30 EGEDRM N#Cc1cc(C(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])ccc1Cl ZINC001574478934 961645093 /nfs/dbraw/zinc/64/50/93/961645093.db2.gz AEEINNBZQXKEPH-INIZCTEOSA-N -1 0 340.766 3.036 20 30 EGEDRM CCc1ccc([C@@H](C#N)NC(=O)C2(C(=O)[O-])CCCCCC2)cc1 ZINC001573954555 961663732 /nfs/dbraw/zinc/66/37/32/961663732.db2.gz OBMKMJGXZDLJMO-MRXNPFEDSA-N -1 0 328.412 3.355 20 30 EGEDRM N#CC1(CNC(=O)Nc2cccc(CCC(=O)[O-])c2)CCCCC1 ZINC001574481112 961669665 /nfs/dbraw/zinc/66/96/65/961669665.db2.gz VBIWZACQAFCIAE-UHFFFAOYSA-N -1 0 329.400 3.299 20 30 EGEDRM C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001341448753 962140168 /nfs/dbraw/zinc/14/01/68/962140168.db2.gz FQWCNZVQECIZDI-QZTJIDSGSA-N -1 0 344.455 3.460 20 30 EGEDRM O=C(Nc1cccc(C#Cc2ccccc2)c1)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001574601292 962163227 /nfs/dbraw/zinc/16/32/27/962163227.db2.gz BTZJDFAJOBGVBF-MAEOIBBWSA-N -1 0 334.375 3.071 20 30 EGEDRM C#CC[C@H](NC(=O)NCc1ccc(C(=O)[O-])cc1F)c1ccccc1 ZINC001573302878 962664413 /nfs/dbraw/zinc/66/44/13/962664413.db2.gz RMSPWDAPGCKBPQ-KRWDZBQOSA-N -1 0 340.354 3.088 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)c1cnc(Cc2ccccc2F)s1)C(=O)[O-] ZINC001573323669 962774738 /nfs/dbraw/zinc/77/47/38/962774738.db2.gz FELXUWLCLJJJCN-CYBMUJFWSA-N -1 0 348.399 3.022 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H](C)c1ccc(OCCC)c(OC)c1 ZINC001573331946 962819780 /nfs/dbraw/zinc/81/97/80/962819780.db2.gz FFZCEGKAGNGNOE-ZDUSSCGKSA-N -1 0 335.400 3.082 20 30 EGEDRM C=CC[C@@H](NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)c1ccncc1 ZINC000851648904 969275229 /nfs/dbraw/zinc/27/52/29/969275229.db2.gz DIGLUYIYALJYPP-GOEBONIOSA-N -1 0 333.432 3.135 20 30 EGEDRM C=CCc1cccc(C(C)C)c1NC(=O)c1cnc(C(=O)[O-])cn1 ZINC001609464070 970421159 /nfs/dbraw/zinc/42/11/59/970421159.db2.gz LAKVZHLPZGQAIG-UHFFFAOYSA-N -1 0 325.368 3.279 20 30 EGEDRM Cc1cc(C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)cc(C)c1C#N ZINC001605122499 972784364 /nfs/dbraw/zinc/78/43/64/972784364.db2.gz KVHUUWWLBBQUFK-FUHWJXTLSA-N -1 0 334.375 3.218 20 30 EGEDRM Cc1cc(C(=O)[O-])cc(C(=O)Nc2cc(C#N)ccc2NC2CC2)c1 ZINC001605141370 972819436 /nfs/dbraw/zinc/81/94/36/972819436.db2.gz SFFYFNPLEYIYAK-UHFFFAOYSA-N -1 0 335.363 3.392 20 30 EGEDRM C=CCCC[C@@H](C)NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC000398054853 973060882 /nfs/dbraw/zinc/06/08/82/973060882.db2.gz CYRHNQQDCAZSAI-GFCCVEGCSA-N -1 0 325.430 3.025 20 30 EGEDRM N#CCc1cccc2c1CCN(C(=O)Nc1cccc(C(=O)[O-])c1)C2 ZINC001605601628 973906293 /nfs/dbraw/zinc/90/62/93/973906293.db2.gz ZCTUQEGMBQYHRW-UHFFFAOYSA-N -1 0 335.363 3.041 20 30 EGEDRM N#Cc1ccc(CSCC(=O)OCc2ccc(C(=O)[O-])cc2)cc1 ZINC001605611330 973918852 /nfs/dbraw/zinc/91/88/52/973918852.db2.gz SPMFNVJKHCPIEV-UHFFFAOYSA-N -1 0 341.388 3.233 20 30 EGEDRM CC(C)Oc1c(N=Cc2ccc(O)c(O)c2O)cccc1C(=O)[O-] ZINC001591741456 975754605 /nfs/dbraw/zinc/75/46/05/975754605.db2.gz YPJIOUIRZFPWRT-UHFFFAOYSA-N -1 0 331.324 3.039 20 30 EGEDRM CC(C)c1ccc(SCC(=O)N2CCC(C#N)(C(=O)[O-])CC2)cc1 ZINC001591974342 976587191 /nfs/dbraw/zinc/58/71/91/976587191.db2.gz UBOQUCSYNCWQHK-UHFFFAOYSA-N -1 0 346.452 3.119 20 30 EGEDRM CC(C)c1nc(NC(=O)c2ccc(F)c(C#N)c2)sc1C(=O)[O-] ZINC001592028638 976729654 /nfs/dbraw/zinc/72/96/54/976729654.db2.gz PCLXILHVTZPFDS-UHFFFAOYSA-N -1 0 333.344 3.228 20 30 EGEDRM CC(C)c1ncsc1C(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC001592042189 976767014 /nfs/dbraw/zinc/76/70/14/976767014.db2.gz CEUWSVAMRAOVHC-UHFFFAOYSA-N -1 0 330.365 3.193 20 30 EGEDRM O=C([O-])c1ccc(N=NCc2cnc(-c3cccs3)s2)nc1 ZINC000763368802 978721406 /nfs/dbraw/zinc/72/14/06/978721406.db2.gz AAIHLXZPIZSODF-UHFFFAOYSA-N -1 0 330.394 3.411 20 30 EGEDRM O=C([O-])c1ccc(N=NC2CCN(c3ccc(F)cc3F)CC2)nc1 ZINC000763370958 978722716 /nfs/dbraw/zinc/72/27/16/978722716.db2.gz WISQYYISHIMUKL-UHFFFAOYSA-N -1 0 346.337 3.126 20 30 EGEDRM Cc1cccc(NC(=S)NN=C2CC[C@@H](CC(=O)[O-])[C@H]2C)c1C ZINC000814706789 978874982 /nfs/dbraw/zinc/87/49/82/978874982.db2.gz FUSJLHRNXLVWQQ-OLZOCXBDSA-N -1 0 333.457 3.467 20 30 EGEDRM C[C@H](CNc1ccc(C(=O)[O-])nc1C#N)Oc1cccc(Cl)c1 ZINC001592728894 979239024 /nfs/dbraw/zinc/23/90/24/979239024.db2.gz HJYLYDOAAUNRSH-SNVBAGLBSA-N -1 0 331.759 3.184 20 30 EGEDRM C[C@](CNc1ccc(C(F)(F)F)c(C#N)n1)(C(=O)[O-])c1ccccc1 ZINC001592728844 979239181 /nfs/dbraw/zinc/23/91/81/979239181.db2.gz GOBUCOMCOHAXFA-MRXNPFEDSA-N -1 0 349.312 3.426 20 30 EGEDRM CCN(CC)c1ncc(C=[NH+][N-]c2ccc(CC(=O)[O-])cc2)s1 ZINC000848415227 979468513 /nfs/dbraw/zinc/46/85/13/979468513.db2.gz JRVKZJPULWGCBV-UHFFFAOYSA-N -1 0 332.429 3.062 20 30 EGEDRM C[C@@](Cc1ccc(Cl)cc1)(NC(=O)c1cccc(C#N)c1)C(=O)[O-] ZINC001592841003 979611459 /nfs/dbraw/zinc/61/14/59/979611459.db2.gz WESTWVYQLVGNEK-SFHVURJKSA-N -1 0 342.782 3.027 20 30 EGEDRM C[C@@H](Oc1ccc(C=NNC2CCC(F)(F)CC2)cc1)C(=O)[O-] ZINC000901340528 980260850 /nfs/dbraw/zinc/26/08/50/980260850.db2.gz IMQNOJYXQBOMTQ-LLVKDONJSA-N -1 0 326.343 3.040 20 30 EGEDRM CC[C@@H](OC(=O)c1ccc(OCc2ccccc2C#N)cc1)C(=O)[O-] ZINC001595351907 980662297 /nfs/dbraw/zinc/66/22/97/980662297.db2.gz OIVULBGSBXHYGF-QGZVFWFLSA-N -1 0 339.347 3.157 20 30 EGEDRM CC[C@@H](OC1CCCC1)C(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC001595355569 980703610 /nfs/dbraw/zinc/70/36/10/980703610.db2.gz DHUNLSBKZLZANP-MRXNPFEDSA-N -1 0 331.368 3.037 20 30 EGEDRM CCC[C@H](C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccccn1 ZINC001595539201 981397559 /nfs/dbraw/zinc/39/75/59/981397559.db2.gz ZZBMFNUXLCYFMH-DOTOQJQBSA-N -1 0 338.363 3.206 20 30 EGEDRM C=CCCC[C@H](C(=O)N[C@@H](CC(F)F)C(=O)[O-])c1ccccc1 ZINC000909774377 981615021 /nfs/dbraw/zinc/61/50/21/981615021.db2.gz JBIHSWBZBFDDJU-KBPBESRZSA-N -1 0 325.355 3.351 20 30 EGEDRM C#CC[C@H](NC(=O)C1(c2c(Cl)cccc2Cl)CCC1)C(=O)[O-] ZINC000910046124 981743331 /nfs/dbraw/zinc/74/33/31/981743331.db2.gz LTRXADQULKETNS-LBPRGKRZSA-N -1 0 340.206 3.008 20 30 EGEDRM CCCC[C@H](ON=C(C)C)C(=O)N(CC(=O)[O-])C1CCCCC1 ZINC001595651534 982022823 /nfs/dbraw/zinc/02/28/23/982022823.db2.gz HMOJVWHDYXKPMU-HNNXBMFYSA-N -1 0 326.437 3.204 20 30 EGEDRM CCCC[C@@H](ON=C(C)C)C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001595652194 982031647 /nfs/dbraw/zinc/03/16/47/982031647.db2.gz PZMJQFHIDPMYOX-IXDOHACOSA-N -1 0 346.427 3.387 20 30 EGEDRM C#CCC1(C(=O)Nc2nc3c(s2)CC[C@H](C(=O)[O-])C3)CCCCC1 ZINC000910678836 982054098 /nfs/dbraw/zinc/05/40/98/982054098.db2.gz ZDGBIOQCNQBLTI-LBPRGKRZSA-N -1 0 346.452 3.245 20 30 EGEDRM C=C[C@](C)(CCOC)C(=O)Nc1nc(C(=O)[O-])c(C(C)C)s1 ZINC000910703221 982072404 /nfs/dbraw/zinc/07/24/04/982072404.db2.gz LNJSVIHIYAGUTF-OAHLLOKOSA-N -1 0 326.418 3.132 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1ccc([C@H]2CCCOC2)cc1)C(=O)[O-] ZINC000910923869 982166266 /nfs/dbraw/zinc/16/62/66/982166266.db2.gz WLXOAEFOHKUOMG-DLBZAZTESA-N -1 0 331.412 3.120 20 30 EGEDRM N#C[C@]1(C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)CC2CCC1CC2 ZINC000923104318 982727237 /nfs/dbraw/zinc/72/72/37/982727237.db2.gz WBBWZXJLFOPKOP-FOXTYZJOSA-N -1 0 338.407 3.312 20 30 EGEDRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC001594977115 982754841 /nfs/dbraw/zinc/75/48/41/982754841.db2.gz FLXLKVHEOHKLPA-MRXNPFEDSA-N -1 0 335.403 3.412 20 30 EGEDRM CCCNc1ccc(C#N)cc1NC(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001595936532 983076246 /nfs/dbraw/zinc/07/62/46/983076246.db2.gz GCJTXRRRCOZNEZ-UHFFFAOYSA-N -1 0 341.342 3.470 20 30 EGEDRM C#C[C@@H](NC(=O)N1CCC[C@H]1c1nc(C(=O)[O-])c(C)s1)C(C)(C)C ZINC001588371950 983326638 /nfs/dbraw/zinc/32/66/38/983326638.db2.gz AQMPLNLOYOUVBT-NWDGAFQWSA-N -1 0 349.456 3.044 20 30 EGEDRM C#C[C@H](NC(=O)Cc1ccc(C(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC001588372603 983332315 /nfs/dbraw/zinc/33/23/15/983332315.db2.gz OOJXPXVSDWZFAU-INIZCTEOSA-N -1 0 327.767 3.071 20 30 EGEDRM C#C[C@@H](NC(=O)NCc1cccc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC001588373699 983339109 /nfs/dbraw/zinc/33/91/09/983339109.db2.gz IYQMYUWJODJCAW-MRXNPFEDSA-N -1 0 342.782 3.212 20 30 EGEDRM C#C[C@@H](NC(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1)c1ccccc1 ZINC001588374117 983341573 /nfs/dbraw/zinc/34/15/73/983341573.db2.gz OTQWDSIFGZZANE-RDTXWAMCSA-N -1 0 336.391 3.446 20 30 EGEDRM C#CCC1(C(=O)OCc2cn3cccc(C(=O)[O-])c3n2)CCCCC1 ZINC001588427899 983458973 /nfs/dbraw/zinc/45/89/73/983458973.db2.gz QQLLVWKIJIOEBA-UHFFFAOYSA-N -1 0 340.379 3.050 20 30 EGEDRM C#CCC1(C(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)CCCCC1 ZINC001588428100 983459854 /nfs/dbraw/zinc/45/98/54/983459854.db2.gz AZDSDUJBAFELGE-UHFFFAOYSA-N -1 0 325.368 3.173 20 30 EGEDRM C#CCCOc1ccc(C(=O)Oc2ccc(C(=O)[O-])c(OC)c2)cc1 ZINC001588457454 983481650 /nfs/dbraw/zinc/48/16/50/983481650.db2.gz ASVIPILKVXRJBA-UHFFFAOYSA-N -1 0 340.331 3.015 20 30 EGEDRM C#CCN(C(=O)Nc1cccc(C(=O)[O-])n1)[C@@H]1CCCc2ccccc21 ZINC001588459573 983484921 /nfs/dbraw/zinc/48/49/21/983484921.db2.gz BWWIFBJXDIHPII-QGZVFWFLSA-N -1 0 349.390 3.325 20 30 EGEDRM CCN(C(=O)c1cc(C)c(C(=O)[O-])o1)[C@@H](C)c1ccc(C#N)cc1 ZINC001596164940 983528770 /nfs/dbraw/zinc/52/87/70/983528770.db2.gz YQEGUFZNNYRDJZ-LBPRGKRZSA-N -1 0 326.352 3.381 20 30 EGEDRM CCN(C(=O)c1ccoc1CC(=O)[O-])[C@H](C)c1ccc(C#N)cc1 ZINC001596170847 983536476 /nfs/dbraw/zinc/53/64/76/983536476.db2.gz OEFWEWRCDZVGGP-GFCCVEGCSA-N -1 0 326.352 3.002 20 30 EGEDRM C#CCSCC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC001588506310 983551549 /nfs/dbraw/zinc/55/15/49/983551549.db2.gz PDSURAZGEMYOQY-UHFFFAOYSA-N -1 0 349.411 3.090 20 30 EGEDRM C#Cc1cncc(C(=O)Oc2cccc3c(CC(=O)[O-])cccc23)c1 ZINC001588528975 983579248 /nfs/dbraw/zinc/57/92/48/983579248.db2.gz KTYJEGMJVZGGDG-UHFFFAOYSA-N -1 0 331.327 3.062 20 30 EGEDRM C=C(C)[C@H](NC(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1)c1ccc(F)c(F)c1 ZINC001588533833 983584355 /nfs/dbraw/zinc/58/43/55/983584355.db2.gz AJZYZDUTNYXITK-ZOWXZIJZSA-N -1 0 338.354 3.087 20 30 EGEDRM C=C(C)[C@H](CC(=O)O[C@@H](C(=O)[O-])c1ccccc1Cl)OCC ZINC001588535636 983589946 /nfs/dbraw/zinc/58/99/46/983589946.db2.gz PKDKWJYIROTLOZ-DZGCQCFKSA-N -1 0 326.776 3.380 20 30 EGEDRM C=C(C)C[C@H](NC(=O)CCCSc1ccc(OC)cc1)C(=O)[O-] ZINC001588540866 983605226 /nfs/dbraw/zinc/60/52/26/983605226.db2.gz NWGALELBNCINIA-HNNXBMFYSA-N -1 0 337.441 3.103 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)c1cc(Cl)ccc1OC(C)C)C(=O)[O-] ZINC001588542903 983609962 /nfs/dbraw/zinc/60/99/62/983609962.db2.gz ANORGXKRLZKVGA-CYBMUJFWSA-N -1 0 325.792 3.276 20 30 EGEDRM C=C(C)C[C@H](Nc1nc(C(F)(F)F)nc2ccccc21)C(=O)[O-] ZINC001588554813 983631788 /nfs/dbraw/zinc/63/17/88/983631788.db2.gz QUKZWGOLIXBAMU-NSHDSACASA-N -1 0 325.290 3.480 20 30 EGEDRM C=C(C)CNC(=O)Nc1nc(-c2ccccc2)c(CC(=O)[O-])s1 ZINC001588584719 983661953 /nfs/dbraw/zinc/66/19/53/983661953.db2.gz CUOSKSFNUICFBO-UHFFFAOYSA-N -1 0 331.397 3.135 20 30 EGEDRM C=C[C@H](C(=O)[O-])N1CCN(c2ccc(C(F)(F)F)cc2Cl)CC1 ZINC001588669303 983810594 /nfs/dbraw/zinc/81/05/94/983810594.db2.gz INDPPSVNHSCAKX-GFCCVEGCSA-N -1 0 348.752 3.120 20 30 EGEDRM C=CC(C)(C)CCCNC(=O)N1CCc2c(cccc2C(=O)[O-])C1 ZINC001588672918 983827503 /nfs/dbraw/zinc/82/75/03/983827503.db2.gz DQLITKGOPRXNBA-UHFFFAOYSA-N -1 0 330.428 3.445 20 30 EGEDRM C=CC1CCN(C(=O)NC[C@@](CC)(C(=O)[O-])c2ccccc2)CC1 ZINC001588720140 983964637 /nfs/dbraw/zinc/96/46/37/983964637.db2.gz LGZJTZBYIVDTIC-LJQANCHMSA-N -1 0 330.428 3.027 20 30 EGEDRM C=CC[C@H](C(=O)OCC(=O)c1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC001588731590 984008989 /nfs/dbraw/zinc/00/89/89/984008989.db2.gz KXIIBGGXFLDGOK-KRWDZBQOSA-N -1 0 338.359 3.471 20 30 EGEDRM C=CC[C@@H](Cc1ccccc1)NC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001588745058 984048898 /nfs/dbraw/zinc/04/88/98/984048898.db2.gz UKUSDXRJVZFJRM-SFHVURJKSA-N -1 0 338.407 3.371 20 30 EGEDRM C=CC[C@H](Cc1ccccc1)NC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001588745056 984048974 /nfs/dbraw/zinc/04/89/74/984048974.db2.gz UKUSDXRJVZFJRM-GOSISDBHSA-N -1 0 338.407 3.371 20 30 EGEDRM C=CCC1(C(=O)NCc2nc3cc(C(=O)[O-])ccc3[nH]2)CCCC1 ZINC001588764986 984124972 /nfs/dbraw/zinc/12/49/72/984124972.db2.gz OJXKCYSTQQVFPC-UHFFFAOYSA-N -1 0 327.384 3.014 20 30 EGEDRM C=CCC1(CNC(=O)[C@@]2(C(=O)[O-])C[C@H]2c2ccccc2)CCCC1 ZINC001588767270 984129412 /nfs/dbraw/zinc/12/94/12/984129412.db2.gz RKVONNZMFSPLSO-OXJNMPFZSA-N -1 0 327.424 3.498 20 30 EGEDRM C=CCC1(NC(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)CCOCC1 ZINC001588767241 984129493 /nfs/dbraw/zinc/12/94/93/984129493.db2.gz QDFVKKVLUWBEKM-JKSUJKDBSA-N -1 0 344.411 3.122 20 30 EGEDRM C=CC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(C)cc1C(=O)[O-] ZINC001588771191 984138630 /nfs/dbraw/zinc/13/86/30/984138630.db2.gz QHDZPVANHFVRLI-UKRRQHHQSA-N -1 0 337.441 3.106 20 30 EGEDRM C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001588771722 984141316 /nfs/dbraw/zinc/14/13/16/984141316.db2.gz YSKCIARQJLQAFT-ABAIWWIYSA-N -1 0 332.356 3.158 20 30 EGEDRM C=CC[C@H]1CCN1C(=O)Nc1cccc(C(=O)[O-])c1Br ZINC001588772852 984145211 /nfs/dbraw/zinc/14/52/11/984145211.db2.gz OIMUMIYKDBBOJF-VIFPVBQESA-N -1 0 339.189 3.330 20 30 EGEDRM C=CC[C@H]1N(S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)CCCC1(C)C ZINC001588774414 984152030 /nfs/dbraw/zinc/15/20/30/984152030.db2.gz YCBZWNRGGQZIEK-GFCCVEGCSA-N -1 0 341.429 3.042 20 30 EGEDRM C=CCCC[C@@H](C(=O)N1CCC(C#N)(C(=O)[O-])CC1)c1ccccc1 ZINC001588782468 984172324 /nfs/dbraw/zinc/17/23/24/984172324.db2.gz FSTPIVJKNZXRBE-QGZVFWFLSA-N -1 0 340.423 3.343 20 30 EGEDRM C=CCCC[C@H](NC(=O)COc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001588789100 984197003 /nfs/dbraw/zinc/19/70/03/984197003.db2.gz YBOKXLSAPPOALF-ZDUSSCGKSA-N -1 0 345.317 3.010 20 30 EGEDRM C=CCCC[C@@H](NC(=O)C1(c2ccncc2)CC2(CCC2)C1)C(=O)[O-] ZINC001588789468 984198399 /nfs/dbraw/zinc/19/83/99/984198399.db2.gz BZWULXRGXZVBMT-MRXNPFEDSA-N -1 0 342.439 3.209 20 30 EGEDRM C=CCCC[C@@H](NS(=O)(=O)c1ccccc1C(C)(C)C)C(=O)[O-] ZINC001588798813 984238904 /nfs/dbraw/zinc/23/89/04/984238904.db2.gz RUCWDPXQSKARRH-CQSZACIVSA-N -1 0 339.457 3.072 20 30 EGEDRM C=CCN(C)C(=O)Nc1cc(Br)cc(C(=O)[O-])c1C ZINC001588822947 984293400 /nfs/dbraw/zinc/29/34/00/984293400.db2.gz ZGLSVQTZKINAKF-UHFFFAOYSA-N -1 0 327.178 3.105 20 30 EGEDRM C=CCN(CC1CCCCC1)S(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC001588825787 984302330 /nfs/dbraw/zinc/30/23/30/984302330.db2.gz XYZHRVUDYNFSMW-JKSUJKDBSA-N -1 0 343.489 3.028 20 30 EGEDRM C=CCN(CCC#N)C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001588826546 984304437 /nfs/dbraw/zinc/30/44/37/984304437.db2.gz JSPCMMPGBIHFJL-UHFFFAOYSA-N -1 0 325.727 3.111 20 30 EGEDRM C=CCN(Cc1ccccc1F)Cn1nc(C(=O)[O-])c(Cl)c1C ZINC001588831791 984316883 /nfs/dbraw/zinc/31/68/83/984316883.db2.gz PZNINIOCPYGVIB-UHFFFAOYSA-N -1 0 337.782 3.328 20 30 EGEDRM C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(C(=O)[O-])nc1 ZINC001588831825 984317956 /nfs/dbraw/zinc/31/79/56/984317956.db2.gz RYYQNCHFRJRQGG-UHFFFAOYSA-N -1 0 329.331 3.139 20 30 EGEDRM C=CCN(Cc1cccc(C#N)c1)C(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC001588832747 984325887 /nfs/dbraw/zinc/32/58/87/984325887.db2.gz OKNZSQUVQDOPHF-UHFFFAOYSA-N -1 0 338.407 3.108 20 30 EGEDRM C=CCN(c1ccccc1)S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC001588832768 984326183 /nfs/dbraw/zinc/32/61/83/984326183.db2.gz XLOQDNOHCUUFIN-RAXLEYEMSA-N -1 0 343.404 3.166 20 30 EGEDRM C=CCN1C(=O)N[C@@H](c2ccc(OCC3CC3)cc2)C(C(=O)[O-])=C1C ZINC001588837172 984332443 /nfs/dbraw/zinc/33/24/43/984332443.db2.gz SQOOBNBLVNDPJD-KRWDZBQOSA-N -1 0 342.395 3.086 20 30 EGEDRM C=CCOc1ccc(CN(C)c2ccc(OCC(=O)[O-])cc2)cc1 ZINC001588873861 984446311 /nfs/dbraw/zinc/44/63/11/984446311.db2.gz NRACDMCLBXVGJF-UHFFFAOYSA-N -1 0 327.380 3.351 20 30 EGEDRM C=CCOc1ccc(CC(=O)Nc2cc(C)cc(C(=O)[O-])c2)cc1 ZINC001588874052 984447455 /nfs/dbraw/zinc/44/74/55/984447455.db2.gz UCYMSCHGWWMPFN-UHFFFAOYSA-N -1 0 325.364 3.439 20 30 EGEDRM CCOC(=O)[C@H]1C/C(=C\c2ccoc2C(=O)[O-])C(=O)c2ccccc21 ZINC001596567971 984454082 /nfs/dbraw/zinc/45/40/82/984454082.db2.gz DDXYKIFUKYWMEM-RZXPCSSPSA-N -1 0 340.331 3.295 20 30 EGEDRM C=CCSc1ccccc1C(=O)NCCc1ncc(C(=O)[O-])s1 ZINC001588879844 984459652 /nfs/dbraw/zinc/45/96/52/984459652.db2.gz SPGIJQRIMHMTEW-UHFFFAOYSA-N -1 0 348.449 3.092 20 30 EGEDRM C=CCn1c(CCC2CCCCC2)nnc1N1CC[C@@](C)(C(=O)[O-])C1 ZINC001588898175 984516287 /nfs/dbraw/zinc/51/62/87/984516287.db2.gz SJNPTQRHGFRSIQ-LJQANCHMSA-N -1 0 346.475 3.278 20 30 EGEDRM C=C[C@@H]1OCC[C@H]1C(=O)O[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC001588916690 984562824 /nfs/dbraw/zinc/56/28/24/984562824.db2.gz ZKRGCDRARDACEE-WXHSDQCUSA-N -1 0 345.178 3.253 20 30 EGEDRM C/C(=C\COC(=O)c1cn(CCCC#N)c2ccccc12)C(=O)[O-] ZINC001588991970 984917975 /nfs/dbraw/zinc/91/79/75/984917975.db2.gz MIJLROOJQFNPSF-MDWZMJQESA-N -1 0 326.352 3.133 20 30 EGEDRM CC(N=Nc1ccc(F)c(F)c1F)c1ccc(OCC(=O)[O-])cc1 ZINC001589016408 984994451 /nfs/dbraw/zinc/99/44/51/984994451.db2.gz LTKDJULZTSCUEZ-UHFFFAOYSA-N -1 0 338.285 3.403 20 30 EGEDRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)[C@H](C#N)c1nccc2ccccc21 ZINC001599956009 985690747 /nfs/dbraw/zinc/69/07/47/985690747.db2.gz JHVBMRQZWCEVCM-CQSZACIVSA-N -1 0 333.347 3.368 20 30 EGEDRM Cc1[nH]c(CNc2ccc(OC(F)(F)F)c(C#N)c2)cc1C(=O)[O-] ZINC001599963152 985834364 /nfs/dbraw/zinc/83/43/64/985834364.db2.gz IZODJAHWBGRNNW-UHFFFAOYSA-N -1 0 339.273 3.404 20 30 EGEDRM Cc1c(C#N)cccc1C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC001599972908 986038320 /nfs/dbraw/zinc/03/83/20/986038320.db2.gz BRQJVNAWTKMVMX-INIZCTEOSA-N -1 0 342.782 3.466 20 30 EGEDRM Cc1c2c(nc(SCc3cccc(C(=O)[O-])n3)c1C#N)CCC2 ZINC001599973087 986040978 /nfs/dbraw/zinc/04/09/78/986040978.db2.gz HMANSTGPWIKVSZ-UHFFFAOYSA-N -1 0 325.393 3.136 20 30 EGEDRM C[C@](C#N)(CCc1ccccc1)NC(=O)c1ccc(C(=O)[O-])cc1F ZINC001589324166 986154333 /nfs/dbraw/zinc/15/43/33/986154333.db2.gz WSFXBRRRBFIDEP-LJQANCHMSA-N -1 0 340.354 3.169 20 30 EGEDRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N(C[C@H](C)C#N)C1CC1 ZINC001589329483 986163300 /nfs/dbraw/zinc/16/33/00/986163300.db2.gz OCOLOJFXPUOFDT-GFCCVEGCSA-N -1 0 345.399 3.328 20 30 EGEDRM CCOc1cc(C(=O)[O-])ccc1NC(=O)c1c(F)cc(C#N)cc1F ZINC001597022106 986419066 /nfs/dbraw/zinc/41/90/66/986419066.db2.gz LGXKPWMIIGOCER-UHFFFAOYSA-N -1 0 346.289 3.186 20 30 EGEDRM CCOc1ccc([N+](=O)[O-])cc1/C=C\C(=O)c1cc(C(=O)[O-])co1 ZINC001597142888 986894095 /nfs/dbraw/zinc/89/40/95/986894095.db2.gz OSMWDCXYZHZTQL-HYXAFXHYSA-N -1 0 331.280 3.181 20 30 EGEDRM CC/C(=C\C(=O)N1CCC(C#N)(C(=O)[O-])CC1)c1ccc(C)cc1 ZINC001594691799 987093898 /nfs/dbraw/zinc/09/38/98/987093898.db2.gz NOWRALUNBGREEI-NTCAYCPXSA-N -1 0 326.396 3.005 20 30 EGEDRM C[C@H](C(=O)[O-])c1cccc(NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)c1 ZINC001589523000 987184769 /nfs/dbraw/zinc/18/47/69/987184769.db2.gz RNTVNPYLNWCVOB-GUYCJALGSA-N -1 0 347.374 3.067 20 30 EGEDRM CC[C@@H](C#N)[C@H](OC(=O)c1cc(C(=O)[O-])ccn1)c1cccs1 ZINC001594722852 987217539 /nfs/dbraw/zinc/21/75/39/987217539.db2.gz XGIWKRNAISFECR-HZMBPMFUSA-N -1 0 330.365 3.289 20 30 EGEDRM CC(C)(C#N)c1ccc(C(=O)N[C@H](CC(=O)[O-])C2CCCC2)cc1 ZINC001589557689 987306799 /nfs/dbraw/zinc/30/67/99/987306799.db2.gz FFQNEGMXDOXZBK-MRXNPFEDSA-N -1 0 328.412 3.251 20 30 EGEDRM CC(C)(C)C[C@H](OC(=O)C(C)(C)Oc1ccc(C#N)cc1)C(=O)[O-] ZINC001589760053 988081535 /nfs/dbraw/zinc/08/15/35/988081535.db2.gz LRMPLSYDRWOGOO-AWEZNQCLSA-N -1 0 333.384 3.148 20 30 EGEDRM C[C@@H](CC(=O)[O-])OC(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC001599835580 988736608 /nfs/dbraw/zinc/73/66/08/988736608.db2.gz ZDZMENPWUKABLA-ZDUSSCGKSA-N -1 0 339.347 3.157 20 30 EGEDRM CCc1oc(CN=Nc2oc(C(C)(C)C)nc2C#N)cc1C(=O)[O-] ZINC001597792919 989337552 /nfs/dbraw/zinc/33/75/52/989337552.db2.gz LVSZHTIJXQKMHO-UHFFFAOYSA-N -1 0 330.344 3.143 20 30 EGEDRM CC(C)(C)c1ccc(C#N)c(N2CC[C@@](C(=O)[O-])(c3ccccc3)C2)n1 ZINC001590472155 990043710 /nfs/dbraw/zinc/04/37/10/990043710.db2.gz KROIQQLWFOHAHA-NRFANRHFSA-N -1 0 349.434 3.483 20 30 EGEDRM CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(C#N)o2)cc1 ZINC001590480777 990070934 /nfs/dbraw/zinc/07/09/34/990070934.db2.gz VAOKEAVNULUQBM-OAHLLOKOSA-N -1 0 340.379 3.395 20 30 EGEDRM CC(C)(C)c1csc(NC(=O)c2ccoc2CC(=O)[O-])c1C#N ZINC001590536983 990149455 /nfs/dbraw/zinc/14/94/55/990149455.db2.gz KOVGAZZMBBKZQG-UHFFFAOYSA-N -1 0 332.381 3.390 20 30 EGEDRM COc1ccccc1-n1nccc1/C=C\C(=O)c1cc(C(=O)[O-])co1 ZINC001599695858 991148123 /nfs/dbraw/zinc/14/81/23/991148123.db2.gz KNMOYPJRRPIMFA-SREVYHEPSA-N -1 0 338.319 3.068 20 30 EGEDRM CN(C)c1cc(C#N)cc(C(=O)Nc2ccc3c(C(=O)[O-])c[nH]c3c2)c1 ZINC001598288488 991196011 /nfs/dbraw/zinc/19/60/11/991196011.db2.gz VLEGJRDGKFKIHM-UHFFFAOYSA-N -1 0 348.362 3.056 20 30 EGEDRM CC(C)C[C@H](CNc1nccc(Oc2cccc(C#N)c2)n1)C(=O)[O-] ZINC001591163034 991928415 /nfs/dbraw/zinc/92/84/15/991928415.db2.gz TYDDCISLRPKPAR-CQSZACIVSA-N -1 0 340.383 3.299 20 30 EGEDRM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCC(C)(C)CC(=O)[O-] ZINC001591343357 992325337 /nfs/dbraw/zinc/32/53/37/992325337.db2.gz YCLJKLROFSUWEB-UHFFFAOYSA-N -1 0 345.443 3.227 20 30 EGEDRM C[C@@H](NC(=S)NN=C1CCC[C@H](CCCC(=O)[O-])C1)C1CC1 ZINC001593190637 994124686 /nfs/dbraw/zinc/12/46/86/994124686.db2.gz TWCYIDSTSUNDGK-VXGBXAGGSA-N -1 0 325.478 3.050 20 30 EGEDRM COc1cccc(-c2n[nH]cc2C=CC(=O)c2cc(C(=O)[O-])co2)c1 ZINC001599639901 994342911 /nfs/dbraw/zinc/34/29/11/994342911.db2.gz BEDNZXYWBLLBLR-WAYWQWQTSA-N -1 0 338.319 3.273 20 30 EGEDRM COc1cccc(C(=O)[O-])c1N(C)C(=O)c1ccc(C#N)c(Cl)c1 ZINC001599644851 994410723 /nfs/dbraw/zinc/41/07/23/994410723.db2.gz ZNKGBDLLANRTSW-UHFFFAOYSA-N -1 0 344.754 3.195 20 30 EGEDRM CNC(=O)c1ccc(/C=C/C(=O)c2ccc(Cl)cc2C(=O)[O-])cc1 ZINC001598656909 994536580 /nfs/dbraw/zinc/53/65/80/994536580.db2.gz YIRZUNOGEKNMFP-RUDMXATFSA-N -1 0 343.766 3.294 20 30 EGEDRM C[C@@H](Nc1ccc(C(=O)[O-])nc1C#N)c1cccc(OC(F)F)c1 ZINC001593364097 995039188 /nfs/dbraw/zinc/03/91/88/995039188.db2.gz WZDUEMWPGVLEOX-SECBINFHSA-N -1 0 333.294 3.426 20 30 EGEDRM C[C@H](OC(=O)C(C)(C)c1ccc(C#N)cc1)c1cc(C(=O)[O-])co1 ZINC001593485282 995446670 /nfs/dbraw/zinc/44/66/70/995446670.db2.gz PYLBKCVDZZMQHP-NSHDSACASA-N -1 0 327.336 3.431 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1OCCCOc1cccc(C#N)c1 ZINC001599379510 996809858 /nfs/dbraw/zinc/80/98/58/996809858.db2.gz IIELQKWZURJWHV-UHFFFAOYSA-N -1 0 327.336 3.113 20 30 EGEDRM COC(=O)Nc1ccc(N[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1F ZINC001598886739 996914284 /nfs/dbraw/zinc/91/42/84/996914284.db2.gz OUBZYAVSLQGQRP-HNNXBMFYSA-N -1 0 343.314 3.113 20 30 EGEDRM COc1cc(C(C)=NNc2cccc(C(=O)[O-])c2C)c(OC)cc1O ZINC001599387948 996979072 /nfs/dbraw/zinc/97/90/72/996979072.db2.gz WITRUOJHTVNKLF-UHFFFAOYSA-N -1 0 344.367 3.252 20 30 EGEDRM COc1cc(/C=C\C(=O)[O-])ccc1OCCCC1(C#N)CCOCC1 ZINC001599399283 997185556 /nfs/dbraw/zinc/18/55/56/997185556.db2.gz KAAOSVYUJLRQMZ-XQRVVYSFSA-N -1 0 345.395 3.272 20 30 EGEDRM COc1cc(C#N)ccc1OCc1ccc(C(=O)[O-])c2cccnc12 ZINC001599350208 998079964 /nfs/dbraw/zinc/07/99/64/998079964.db2.gz FWGJUFATLNJEEO-UHFFFAOYSA-N -1 0 334.331 3.392 20 30 EGEDRM COCCOCc1ccc(/C=C/C(=O)c2cc(C(=O)[O-])co2)cc1 ZINC001599253186 998267974 /nfs/dbraw/zinc/26/79/74/998267974.db2.gz QRNIUOYEUCAEPR-VOTSOKGWSA-N -1 0 330.336 3.037 20 30 EGEDRM C[C@@H]1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)[C@H](C(=O)[O-])C1 ZINC001594423443 999580529 /nfs/dbraw/zinc/58/05/29/999580529.db2.gz RSLLKSKWSRCHQV-DOMZBBRYSA-N -1 0 341.329 3.122 20 30 EGEDRM C[C@H]1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)[C@@H](C(=O)[O-])C1 ZINC001594423446 999580898 /nfs/dbraw/zinc/58/08/98/999580898.db2.gz RSLLKSKWSRCHQV-SWLSCSKDSA-N -1 0 341.329 3.122 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2ccc(Cl)c(Cl)c2)C(=O)O1 ZINC000022226833 202081376 /nfs/dbraw/zinc/08/13/76/202081376.db2.gz YGGUNZUKGHNGDN-LYKUJDHUSA-N -1 0 325.147 3.222 20 30 EGEDRM C=CCc1cc(C(=O)NC(CC)(CC)CC(=O)[O-])cc(OC)c1OC ZINC000262146963 201201716 /nfs/dbraw/zinc/20/17/16/201201716.db2.gz SSYCPOJWXQOWLC-UHFFFAOYSA-N -1 0 349.427 3.196 20 30 EGEDRM O=C([O-])c1ccc(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)s1 ZINC000007333305 135680021 /nfs/dbraw/zinc/68/00/21/135680021.db2.gz XUNPYHCHXNXUNU-ZZXKWVIFSA-N -1 0 343.404 3.179 20 30 EGEDRM CC(C)(CCNC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)C(=O)[O-] ZINC000326349126 154182214 /nfs/dbraw/zinc/18/22/14/154182214.db2.gz YASDAADBNRSVNH-UHFFFAOYSA-N -1 0 343.305 3.199 20 30 EGEDRM Cc1csc(NC(=O)C[C@@](C)(C(=O)[O-])c2ccccc2)c1C#N ZINC000349010926 156317075 /nfs/dbraw/zinc/31/70/75/156317075.db2.gz UFVOWWMPCBZVCB-QGZVFWFLSA-N -1 0 328.393 3.299 20 30 EGEDRM Cc1nc(=NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)s[n-]1 ZINC000362133157 157036830 /nfs/dbraw/zinc/03/68/30/157036830.db2.gz HBGKGHQOPIKQEH-UHFFFAOYSA-N -1 0 335.392 3.136 20 30 EGEDRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)c1 ZINC000112266627 162169633 /nfs/dbraw/zinc/16/96/33/162169633.db2.gz CYMNMYKQUFEFRD-UHFFFAOYSA-N -1 0 340.763 3.160 20 30 EGEDRM CCOC(=O)c1cnc(/C=C/c2cc(C#N)cs2)c(C(=O)[O-])c1 ZINC000340949554 163700086 /nfs/dbraw/zinc/70/00/86/163700086.db2.gz GPVGKMKIMBQSEX-ONEGZZNKSA-N -1 0 328.349 3.060 20 30 EGEDRM C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1cc(Cl)c([O-])cc1F ZINC000345648829 164234086 /nfs/dbraw/zinc/23/40/86/164234086.db2.gz HGQJQOGXXRSNDS-VIFPVBQESA-N -1 0 334.734 3.462 20 30 EGEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1csc(-c2cccs2)n1 ZINC000359724786 167214747 /nfs/dbraw/zinc/21/47/47/167214747.db2.gz MWVCRHZRZSONNZ-UHFFFAOYSA-N -1 0 341.421 3.018 20 30 EGEDRM N#Cc1cccc([C@H]2CN(C(=O)c3cc(Cl)ccc3O)CCO2)c1 ZINC000367166932 168187317 /nfs/dbraw/zinc/18/73/17/168187317.db2.gz BJYRXRINVMHZMG-QGZVFWFLSA-N -1 0 342.782 3.131 20 30 EGEDRM Cc1cc(-c2ncccc2[N-]S(=O)(=O)c2ccc(C#N)o2)cs1 ZINC000367927537 168285238 /nfs/dbraw/zinc/28/52/38/168285238.db2.gz PELSWZAVFUVCLD-UHFFFAOYSA-N -1 0 345.405 3.384 20 30 EGEDRM CC(=Cc1cccc(Br)c1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000435335514 270051249 /nfs/dbraw/zinc/05/12/49/270051249.db2.gz IPUGRAPRGUUIIO-RMKNXTFCSA-N -1 0 330.185 3.273 20 30 EGEDRM Cc1sc(CNS(=O)(=O)c2cccc(C)c2C#N)nc1C(C)C ZINC000443071328 270052207 /nfs/dbraw/zinc/05/22/07/270052207.db2.gz PZKOTXSWXUJLBF-UHFFFAOYSA-N -1 0 349.481 3.234 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)(C)C)c(C#N)c2)cn1 ZINC000451091809 270053277 /nfs/dbraw/zinc/05/32/77/270053277.db2.gz XCAVLLOMJVHLAB-UHFFFAOYSA-N -1 0 345.424 3.240 20 30 EGEDRM N#Cc1ccc(C=CC(=O)N=c2nc(-c3ccsc3)[n-]s2)cc1 ZINC000491576036 270057924 /nfs/dbraw/zinc/05/79/24/270057924.db2.gz LPECSFLEWVAALK-WAYWQWQTSA-N -1 0 338.417 3.212 20 30 EGEDRM Cc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)c1C#N ZINC000493106988 270058646 /nfs/dbraw/zinc/05/86/46/270058646.db2.gz QETMMRLDGIXVPP-UHFFFAOYSA-N -1 0 345.380 3.193 20 30 EGEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1c(C)cc(C)cc1C ZINC000184764563 266802692 /nfs/dbraw/zinc/80/26/92/266802692.db2.gz DZVIMOGAKMAJIM-UHFFFAOYSA-N -1 0 330.409 3.293 20 30 EGEDRM CCCN=c1[n-]nc(SCCCOc2cccc(C#N)c2)s1 ZINC000477523429 267020388 /nfs/dbraw/zinc/02/03/88/267020388.db2.gz CHRJFEDGCLYSGM-UHFFFAOYSA-N -1 0 334.470 3.215 20 30 EGEDRM CCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2F)cc1F ZINC000523529768 267172081 /nfs/dbraw/zinc/17/20/81/267172081.db2.gz KMNZRMDVMBEMMV-UHFFFAOYSA-N -1 0 338.335 3.036 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1[O-] ZINC000188214110 268046790 /nfs/dbraw/zinc/04/67/90/268046790.db2.gz NOAIHFFTBGCNED-UHFFFAOYSA-N -1 0 335.132 3.418 20 30 EGEDRM N#Cc1ccc(CNC(=O)c2cc(F)cc(Br)c2[O-])cc1 ZINC000436844814 268230992 /nfs/dbraw/zinc/23/09/92/268230992.db2.gz BDDKSJKDINTVIB-UHFFFAOYSA-N -1 0 349.159 3.095 20 30 EGEDRM N#Cc1ccccc1[N-]S(=O)(=O)c1ccccc1OC(F)(F)F ZINC000193204737 268279111 /nfs/dbraw/zinc/27/91/11/268279111.db2.gz JVUCAFGFIHHENE-UHFFFAOYSA-N -1 0 342.298 3.258 20 30 EGEDRM CC(C)Oc1ccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1C#N ZINC000122089774 307526430 /nfs/dbraw/zinc/52/64/30/307526430.db2.gz FJBPILIMCMYSSJ-UHFFFAOYSA-N -1 0 341.323 3.212 20 30 EGEDRM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2F)cc1C ZINC000134774807 307693008 /nfs/dbraw/zinc/69/30/08/307693008.db2.gz OGMPRDUZAAMITP-UHFFFAOYSA-N -1 0 332.356 3.009 20 30 EGEDRM Cc1[n-]n(-c2ccc(C)cc2C)c(=O)c1C(=O)Nc1cccc(C#N)c1 ZINC000155588878 307816967 /nfs/dbraw/zinc/81/69/67/307816967.db2.gz ARNAVPBTUCDASV-GOSISDBHSA-N -1 0 346.390 3.153 20 30 EGEDRM CCc1ccc(S(=O)(=O)[N-]c2nn(C(C)C)cc2C#N)cc1CC ZINC000158119577 307855201 /nfs/dbraw/zinc/85/52/01/307855201.db2.gz FTKZKNRWIZSGAS-UHFFFAOYSA-N -1 0 346.456 3.261 20 30 EGEDRM N#Cc1cccc(S(=O)(=O)[N-]c2cnc(-c3ccccc3)s2)c1 ZINC000535780381 314073336 /nfs/dbraw/zinc/07/33/36/314073336.db2.gz PVNBPHQXMDRMRV-UHFFFAOYSA-N -1 0 341.417 3.483 20 30 EGEDRM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C#N)c(C)c1 ZINC000538365769 314242254 /nfs/dbraw/zinc/24/22/54/314242254.db2.gz DOKSDSJTAWREDK-UHFFFAOYSA-N -1 0 330.409 3.375 20 30 EGEDRM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2OC)cc1C ZINC000545999321 314802191 /nfs/dbraw/zinc/80/21/91/314802191.db2.gz PMXFBDBBDDQQRF-UHFFFAOYSA-N -1 0 346.408 3.075 20 30 EGEDRM CC(C)(C)n1cc(C#N)cc1NC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000557168731 315499567 /nfs/dbraw/zinc/49/95/67/315499567.db2.gz KDRCUXUKTYBHNR-UHFFFAOYSA-N -1 0 340.383 3.386 20 30 EGEDRM N#Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000182541321 323559022 /nfs/dbraw/zinc/55/90/22/323559022.db2.gz KUPKVJNRLVEMTO-UHFFFAOYSA-N -1 0 338.335 3.003 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)c(F)c2)c(Cl)c1 ZINC000183066788 455221518 /nfs/dbraw/zinc/22/15/18/455221518.db2.gz FYIQANQQDYDPBC-UHFFFAOYSA-N -1 0 346.717 3.430 20 30 EGEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2)c(F)c1 ZINC000357421320 457514035 /nfs/dbraw/zinc/51/40/35/457514035.db2.gz HKIAYGQXFPGKDF-UHFFFAOYSA-N -1 0 346.717 3.430 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2nc(C)c(SCC#N)s2)c(C)o1 ZINC000183110985 455231634 /nfs/dbraw/zinc/23/16/34/455231634.db2.gz NJGGXSZDQWLGBJ-UHFFFAOYSA-N -1 0 343.455 3.078 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2)c(F)c1 ZINC000157998847 455257711 /nfs/dbraw/zinc/25/77/11/455257711.db2.gz DFURGEVYNDPBIR-UHFFFAOYSA-N -1 0 342.298 3.100 20 30 EGEDRM CC(C)(C)C[C@@H]([N-]S(=O)(=O)Cc1cccc(C#N)c1)C(F)(F)F ZINC000183303210 455275026 /nfs/dbraw/zinc/27/50/26/455275026.db2.gz YXTNEJUIMXHDOI-CYBMUJFWSA-N -1 0 348.390 3.345 20 30 EGEDRM N#Cc1cnc(N2CCC[C@H]2c2nc(C(=O)[O-])cs2)c(Cl)c1 ZINC000600675932 460565632 /nfs/dbraw/zinc/56/56/32/460565632.db2.gz PPNRSUMUYYBVKC-NSHDSACASA-N -1 0 334.788 3.103 20 30 EGEDRM N#Cc1nc(NC(=O)CCc2ccc(-c3ccccc3F)o2)[n-]c1C#N ZINC000026270251 453795433 /nfs/dbraw/zinc/79/54/33/453795433.db2.gz VNOCLXYIVRTPJS-UHFFFAOYSA-N -1 0 349.325 3.123 20 30 EGEDRM COc1ccc(NC(=O)c2cc(C#N)c(SC)[n-]c2=O)cc1Cl ZINC000027606063 453819356 /nfs/dbraw/zinc/81/93/56/453819356.db2.gz UPJDBWOUMLJZED-UHFFFAOYSA-N -1 0 349.799 3.295 20 30 EGEDRM N#Cc1nc(NC(=O)c2ccc(OCC3CCCCC3)cc2)[n-]c1C#N ZINC000053799810 453897376 /nfs/dbraw/zinc/89/73/76/453897376.db2.gz BVQVTSKWJIDFEP-UHFFFAOYSA-N -1 0 349.394 3.364 20 30 EGEDRM CC(C)c1cccc(-n2cc([O-])c(C(=O)NCCCCC#N)n2)c1 ZINC000084389172 453987479 /nfs/dbraw/zinc/98/74/79/453987479.db2.gz OYTGSTUYJUKJFK-UHFFFAOYSA-N -1 0 326.400 3.125 20 30 EGEDRM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2C#N)c1 ZINC000055638736 454001624 /nfs/dbraw/zinc/00/16/24/454001624.db2.gz NCSIEJRYAYZCIT-UHFFFAOYSA-N -1 0 343.408 3.098 20 30 EGEDRM CC(=O)c1cccc(S(=O)(=O)[N-]C(=O)C=Cc2ccc(F)cc2)c1 ZINC000045098050 454138857 /nfs/dbraw/zinc/13/88/57/454138857.db2.gz FPTPMRAYMFPIEY-JXMROGBWSA-N -1 0 347.367 3.387 20 30 EGEDRM Cc1nn(C)c(Cl)c1C=CC(=O)[N-]S(=O)(=O)C1CCCCC1 ZINC000058075524 454162990 /nfs/dbraw/zinc/16/29/90/454162990.db2.gz BSALTCQQIIHIOU-CMDGGOBGSA-N -1 0 345.852 3.014 20 30 EGEDRM Cn1cc(S(=O)(=O)[N-]C(=O)Cc2ccc(F)cc2)c2ccccc21 ZINC000095446117 454213856 /nfs/dbraw/zinc/21/38/56/454213856.db2.gz YFAWWJTZCFSPFG-UHFFFAOYSA-N -1 0 346.383 3.205 20 30 EGEDRM C[C@@H](Oc1cccc(/C=C2\CCc3cc(O)ccc3C2=O)c1)C(=O)[O-] ZINC000060364422 454281403 /nfs/dbraw/zinc/28/14/03/454281403.db2.gz RVXRBLUTLMNSQW-KMHUVPDISA-N -1 0 338.359 3.457 20 30 EGEDRM CCc1sc(C([O-])=C(C#N)c2nnc3n2CCCCC3)cc1C ZINC000072678770 454326982 /nfs/dbraw/zinc/32/69/82/454326982.db2.gz UULOUOHTNZRVEE-LBPRGKRZSA-N -1 0 328.441 3.427 20 30 EGEDRM COC(=O)c1[nH]c(C)c(C([O-])=C(C#N)c2nc(C(C)C)cs2)c1C ZINC000132474018 454342944 /nfs/dbraw/zinc/34/29/44/454342944.db2.gz BCUPXSUETMPALN-LLVKDONJSA-N -1 0 345.424 3.488 20 30 EGEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1cccc(-c2ncco2)c1 ZINC000132806770 454367764 /nfs/dbraw/zinc/36/77/64/454367764.db2.gz GOEDXDBBAKMCBU-UHFFFAOYSA-N -1 0 325.349 3.014 20 30 EGEDRM C=CCN(Cc1ccccc1F)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000132887310 454374966 /nfs/dbraw/zinc/37/49/66/454374966.db2.gz SIIYQAISNMRSBN-UHFFFAOYSA-N -1 0 330.315 3.268 20 30 EGEDRM COc1cccc(C(=O)[N-]S(=O)(=O)C=Cc2ccccc2)c1OC ZINC000048529421 454496733 /nfs/dbraw/zinc/49/67/33/454496733.db2.gz MFNORHWRLXDVMY-QXMHVHEDSA-N -1 0 347.392 3.009 20 30 EGEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(CSC)cc1 ZINC000184845278 455458937 /nfs/dbraw/zinc/45/89/37/455458937.db2.gz AXSIWXMRJJJHCY-UHFFFAOYSA-N -1 0 348.449 3.231 20 30 EGEDRM Cc1nc([N-]S(=O)(=O)c2ccc(C)cc2)sc1SCC#N ZINC000066253613 454672521 /nfs/dbraw/zinc/67/25/21/454672521.db2.gz IMJKNMXUEGDUJQ-UHFFFAOYSA-N -1 0 339.467 3.176 20 30 EGEDRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N(C)[C@@H](C)CC#N)n2)cc1 ZINC000137000978 454764055 /nfs/dbraw/zinc/76/40/55/454764055.db2.gz UTHZKHOLHRDCKD-ZDUSSCGKSA-N -1 0 326.400 3.075 20 30 EGEDRM Cc1ccccc1NC(=O)Cn1[n-]c(C(C)(C)C)c(CCC#N)c1=O ZINC000153476568 454797600 /nfs/dbraw/zinc/79/76/00/454797600.db2.gz UNSFEAODNMIQJB-UHFFFAOYSA-N -1 0 340.427 3.290 20 30 EGEDRM N#CCCCOc1cccnc1NC(=O)c1ccc(Cl)cc1[O-] ZINC000110309389 454844118 /nfs/dbraw/zinc/84/41/18/454844118.db2.gz WCLZJZYSLOYDIH-UHFFFAOYSA-N -1 0 331.759 3.375 20 30 EGEDRM C#CCN(C(=O)c1nn(-c2ccc(F)cc2C)cc1[O-])C1CCCC1 ZINC000164020367 454872375 /nfs/dbraw/zinc/87/23/75/454872375.db2.gz ZCSUNAICYFVVHJ-UHFFFAOYSA-N -1 0 341.386 3.043 20 30 EGEDRM C=C(C)CNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000154401929 454893695 /nfs/dbraw/zinc/89/36/95/454893695.db2.gz SFXJMTSPZCYYTC-UHFFFAOYSA-N -1 0 344.436 3.102 20 30 EGEDRM COCc1cccc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC000177996289 454925330 /nfs/dbraw/zinc/92/53/30/454925330.db2.gz ZYSRBLBPBAGLJO-UHFFFAOYSA-N -1 0 336.800 3.159 20 30 EGEDRM COc1c(Cl)cccc1[N-]S(=O)(=O)c1cc(C#N)ccc1C ZINC000114673748 454967921 /nfs/dbraw/zinc/96/79/21/454967921.db2.gz DWFHYUPATOPBSD-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM COCCOc1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)cc1 ZINC000171797363 455094452 /nfs/dbraw/zinc/09/44/52/455094452.db2.gz NEVLZRRITIHJAY-OAHLLOKOSA-N -1 0 336.347 3.343 20 30 EGEDRM Cc1ncc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)c(C)n1 ZINC000179965931 455108240 /nfs/dbraw/zinc/10/82/40/455108240.db2.gz ULLJCWPFSKFLLG-ZDUSSCGKSA-N -1 0 335.392 3.102 20 30 EGEDRM CC(C)(C)c1[n-]n(CCOc2cccc(C#N)c2)c(=O)c1CCC#N ZINC000181689202 455372083 /nfs/dbraw/zinc/37/20/83/455372083.db2.gz CQXZCKVJLLSCMQ-UHFFFAOYSA-N -1 0 338.411 3.293 20 30 EGEDRM C=CCN(CCc1ccccc1)C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000175759863 455493182 /nfs/dbraw/zinc/49/31/82/455493182.db2.gz ZDORAINPGQMGFQ-UHFFFAOYSA-N -1 0 347.418 3.449 20 30 EGEDRM CC(C)(C)OCc1cc(C/N=C/c2cc([N+](=O)[O-])ccc2[O-])no1 ZINC000185917540 455651174 /nfs/dbraw/zinc/65/11/74/455651174.db2.gz JTGLNHQINSUYAX-CAOOACKPSA-N -1 0 333.344 3.223 20 30 EGEDRM C=CCCCS(=O)(=O)[N-][C@@H](c1ccc(OC)cc1)C(F)(F)F ZINC000292586557 455704477 /nfs/dbraw/zinc/70/44/77/455704477.db2.gz MFIYYFFOFOERIU-ZDUSSCGKSA-N -1 0 337.363 3.184 20 30 EGEDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccccc2CC#N)cc1C ZINC000193359741 455754911 /nfs/dbraw/zinc/75/49/11/455754911.db2.gz CUADHIPVGITVDH-UHFFFAOYSA-N -1 0 345.380 3.079 20 30 EGEDRM COc1cc(C=C(C)c2nc(C)c(C#N)c(=O)[nH]2)ccc1OC(F)F ZINC000193611531 455767227 /nfs/dbraw/zinc/76/72/27/455767227.db2.gz SMAHYHOUHZBOOC-RMKNXTFCSA-N -1 0 347.321 3.121 20 30 EGEDRM C=CCC[C@H](NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000193739244 455773667 /nfs/dbraw/zinc/77/36/67/455773667.db2.gz SFRYRDKVXBMSQF-AWEZNQCLSA-N -1 0 327.340 3.133 20 30 EGEDRM COc1ccc([C@@H]([N-]C(=O)C(F)C(F)(F)F)C(F)(F)F)cc1 ZINC000278430705 455835810 /nfs/dbraw/zinc/83/58/10/455835810.db2.gz RPBOSMOKCFJRDE-DTWKUNHWSA-N -1 0 333.203 3.315 20 30 EGEDRM C=CCCS(=O)(=O)[N-]c1ccc(OC(F)F)c2cccnc12 ZINC000187072957 455868702 /nfs/dbraw/zinc/86/87/02/455868702.db2.gz IFKHEXJVIKOUGA-UHFFFAOYSA-N -1 0 328.340 3.154 20 30 EGEDRM C=CC[C@@H](C(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1)c1ccccc1 ZINC000187393632 455903735 /nfs/dbraw/zinc/90/37/35/455903735.db2.gz HASSBPRFMHLTSY-MRXNPFEDSA-N -1 0 335.363 3.328 20 30 EGEDRM N#C[C@@]1(C(=O)NCc2cccc(Br)c2O)CC12CCCC2 ZINC000296525702 455963543 /nfs/dbraw/zinc/96/35/43/455963543.db2.gz AOXBBJBAMJXWGF-MRXNPFEDSA-N -1 0 349.228 3.245 20 30 EGEDRM C=CCC[C@H](NC(=O)[C@H](C)Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000262922040 456068949 /nfs/dbraw/zinc/06/89/49/456068949.db2.gz ODJFRYALZNXCAF-RISCZKNCSA-N -1 0 343.345 3.420 20 30 EGEDRM N#Cc1cccc(Cl)c1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281727783 456304664 /nfs/dbraw/zinc/30/46/64/456304664.db2.gz DIFQBFROQQYEJN-UHFFFAOYSA-N -1 0 345.752 3.107 20 30 EGEDRM Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(Cc1ccccc1)C1CC1 ZINC000298143902 456374478 /nfs/dbraw/zinc/37/44/78/456374478.db2.gz BCSIGKVSZCNKAL-UHFFFAOYSA-N -1 0 349.434 3.400 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2c(C#N)cnn2C2CCCC2)ccc1F ZINC000337784219 456544196 /nfs/dbraw/zinc/54/41/96/456544196.db2.gz WBKSAVAMOFPPKD-UHFFFAOYSA-N -1 0 348.403 3.118 20 30 EGEDRM N#Cc1cc([N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)ccc1F ZINC000340742831 456663025 /nfs/dbraw/zinc/66/30/25/456663025.db2.gz SAIVVJJZZRIQTK-UHFFFAOYSA-N -1 0 346.717 3.430 20 30 EGEDRM CCOC(=O)c1cnc(/C=C\c2cc(C#N)cs2)c(C(=O)[O-])c1 ZINC000340949543 456778380 /nfs/dbraw/zinc/77/83/80/456778380.db2.gz GPVGKMKIMBQSEX-ARJAWSKDSA-N -1 0 328.349 3.060 20 30 EGEDRM CC[C@H](NC(=O)c1cccc([C@]2(C)NC(=O)NC2=O)c1)[C@H]1CCCO1 ZINC000328884680 456783714 /nfs/dbraw/zinc/78/37/14/456783714.db2.gz YSHXBNOLDFBNHO-IYOUNJFTSA-N -1 0 345.399 3.048 20 30 EGEDRM CCOC(=O)c1cnc(/C=C\c2ccc(F)c(C#N)c2)c(C(=O)[O-])c1 ZINC000340962366 456785790 /nfs/dbraw/zinc/78/57/90/456785790.db2.gz TXYFBTXSDYTBOB-XQRVVYSFSA-N -1 0 340.310 3.138 20 30 EGEDRM CCOc1ccc([N+](=O)[O-])c(C([O-])=C(C#N)c2nc(C)cs2)c1 ZINC000338622202 456845946 /nfs/dbraw/zinc/84/59/46/456845946.db2.gz HTRNQPKJYSJFGQ-LBPRGKRZSA-N -1 0 331.353 3.249 20 30 EGEDRM Cc1ccccc1S(=O)(=O)[N-]c1cc(C#N)ccc1OC(F)F ZINC000341746666 456925314 /nfs/dbraw/zinc/92/53/14/456925314.db2.gz ARDDNXZERBSFGR-UHFFFAOYSA-N -1 0 338.335 3.269 20 30 EGEDRM CCCSc1nc(=NC(=O)N2CCOCC3(CCC3)C2)s[n-]1 ZINC000329772800 456939131 /nfs/dbraw/zinc/93/91/31/456939131.db2.gz HRFLYQIIZZZCFQ-UHFFFAOYSA-N -1 0 342.490 3.088 20 30 EGEDRM C[C@H](CN(Cc1ccccc1)C(=O)c1ccc(CC#N)cc1)C(=O)[O-] ZINC000345786662 456994362 /nfs/dbraw/zinc/99/43/62/456994362.db2.gz UUIZKNLOEJQQAJ-OAHLLOKOSA-N -1 0 336.391 3.116 20 30 EGEDRM CN(C)c1cc(C#N)cc(C([O-])=C(C#N)c2cnc3ccccc3n2)c1 ZINC000346246523 457025587 /nfs/dbraw/zinc/02/55/87/457025587.db2.gz SWDFWCWDMNQKQI-INIZCTEOSA-N -1 0 341.374 3.058 20 30 EGEDRM C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356509266 457028917 /nfs/dbraw/zinc/02/89/17/457028917.db2.gz CUXHSCCHBNDELI-UHFFFAOYSA-N -1 0 337.335 3.000 20 30 EGEDRM CCC(CC)c1n[n-]c(=NC(=O)NC[C@@H]2CCO[C@H](C)C2)s1 ZINC000330625861 457062171 /nfs/dbraw/zinc/06/21/71/457062171.db2.gz IDHAZSVUXYVUER-GHMZBOCLSA-N -1 0 326.466 3.005 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2SCCC#N)cn1 ZINC000349944228 457116088 /nfs/dbraw/zinc/11/60/88/457116088.db2.gz KCBRGJDSCUGIQK-UHFFFAOYSA-N -1 0 333.438 3.197 20 30 EGEDRM CN(c1ccccc1)c1ccc(C([O-])=C(C#N)c2ccncn2)cn1 ZINC000354478503 457248928 /nfs/dbraw/zinc/24/89/28/457248928.db2.gz VDKHZVBRYBUNBI-MRXNPFEDSA-N -1 0 329.363 3.130 20 30 EGEDRM Cc1nn(C)c2nc(C([O-])=C(C#N)c3nc4ccccc4s3)ccc12 ZINC000342395914 457277649 /nfs/dbraw/zinc/27/76/49/457277649.db2.gz NKSYDHGKWFZMAV-LBPRGKRZSA-N -1 0 347.403 3.377 20 30 EGEDRM Cc1cn(-c2ccccc2)nc1C([O-])=C(C#N)c1cc(C)nc(C)n1 ZINC000352323634 457356116 /nfs/dbraw/zinc/35/61/16/457356116.db2.gz GQPYFMARTXXDRA-MRXNPFEDSA-N -1 0 331.379 3.078 20 30 EGEDRM C=CCOc1ccc(CN=c2[n-]nc(-c3ccccc3)o2)cc1OC ZINC000357186469 457364543 /nfs/dbraw/zinc/36/45/43/457364543.db2.gz FZUNMUJHJOKPPL-UHFFFAOYSA-N -1 0 337.379 3.344 20 30 EGEDRM N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H](c2ccccc2)C2CC2)c(F)c1 ZINC000342601916 457394582 /nfs/dbraw/zinc/39/45/82/457394582.db2.gz LHIGEVPJMPAHNW-INIZCTEOSA-N -1 0 348.374 3.266 20 30 EGEDRM Cc1cc(Cl)cc([N-]S(=O)(=O)c2ccccc2CC#N)c1O ZINC000355843106 457422519 /nfs/dbraw/zinc/42/25/19/457422519.db2.gz LYEGINRMJCCEIN-UHFFFAOYSA-N -1 0 336.800 3.221 20 30 EGEDRM C=CC[C@H](CC)NS(=O)(=O)c1ccc(F)cc1Br ZINC000393785252 457468187 /nfs/dbraw/zinc/46/81/87/457468187.db2.gz LBPHTEVVKJUNNW-JTQLQIEISA-N -1 0 336.226 3.221 20 30 EGEDRM C=CCCn1cc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)nn1 ZINC000425319758 457494905 /nfs/dbraw/zinc/49/49/05/457494905.db2.gz WHXJXJKXZSRHKX-NSHDSACASA-N -1 0 329.429 3.098 20 30 EGEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(SC)ccc1C ZINC000361783345 457857968 /nfs/dbraw/zinc/85/79/68/457857968.db2.gz WBTJWDANSJPPAJ-UHFFFAOYSA-N -1 0 348.449 3.398 20 30 EGEDRM Cc1nc2ccc(C([O-])=C(C#N)c3cnc4ccccc4n3)cc2n1C ZINC000361841097 457900837 /nfs/dbraw/zinc/90/08/37/457900837.db2.gz BNXUINCXFJRRHT-AWEZNQCLSA-N -1 0 341.374 3.315 20 30 EGEDRM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000427131558 457946816 /nfs/dbraw/zinc/94/68/16/457946816.db2.gz SPVKGTLKBZAOHD-UHFFFAOYSA-N -1 0 340.763 3.160 20 30 EGEDRM CCn1nc(C)c(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)c1C ZINC000362187117 458041002 /nfs/dbraw/zinc/04/10/02/458041002.db2.gz LEDKBROMHSZVIT-GFCCVEGCSA-N -1 0 336.317 3.424 20 30 EGEDRM CC(=O)c1ccc([O-])c(NC(=O)c2cccc(SCC#N)c2)c1 ZINC000436682293 458359018 /nfs/dbraw/zinc/35/90/18/458359018.db2.gz URGFRKFWANKVEN-UHFFFAOYSA-N -1 0 326.377 3.463 20 30 EGEDRM C=CCCOCCN=c1[n-]c(C(F)(F)F)c(Br)s1 ZINC000418889955 458377610 /nfs/dbraw/zinc/37/76/10/458377610.db2.gz CAPFTKOGIWYJBK-UHFFFAOYSA-N -1 0 345.184 3.351 20 30 EGEDRM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000448157708 458396814 /nfs/dbraw/zinc/39/68/14/458396814.db2.gz YFDLLPHQKRUIBR-UHFFFAOYSA-N -1 0 349.438 3.338 20 30 EGEDRM Cc1c(C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)cccc1-c1ccccn1 ZINC000377095566 458460518 /nfs/dbraw/zinc/46/05/18/458460518.db2.gz ZWEKMIMEDULNTB-UHFFFAOYSA-N -1 0 343.390 3.203 20 30 EGEDRM C[C@H](CN=Nc1ccc(C(=O)[O-])cc1F)CNC(=O)OC(C)(C)C ZINC000495879105 458990277 /nfs/dbraw/zinc/99/02/77/458990277.db2.gz ULLOOCUKRYUNDS-JTQLQIEISA-N -1 0 339.367 3.082 20 30 EGEDRM C=CCONC(=O)Nc1cccc2c1CCN2C(=O)OC(C)(C)C ZINC000496127246 459078231 /nfs/dbraw/zinc/07/82/31/459078231.db2.gz HYNQEDKZFOXRSJ-UHFFFAOYSA-N -1 0 333.388 3.223 20 30 EGEDRM Cc1ccc2c(ncc(C#N)c2NC[C@H](C)C(=O)[O-])c1Br ZINC000594541691 459084553 /nfs/dbraw/zinc/08/45/53/459084553.db2.gz WYARKSPECWDDRW-VIFPVBQESA-N -1 0 348.200 3.310 20 30 EGEDRM C=CCn1c(-c2cc(Cl)ccc2Cl)n[n-]c1=Nc1cnn(C)c1 ZINC000579166504 459243490 /nfs/dbraw/zinc/24/34/90/459243490.db2.gz JZVZPHPAXWAOMN-UHFFFAOYSA-N -1 0 349.225 3.337 20 30 EGEDRM C=CCC[C@@H](NC(=O)N[C@H]1CCSc2c(F)cccc21)C(=O)[O-] ZINC000579681188 459250855 /nfs/dbraw/zinc/25/08/55/459250855.db2.gz USBKEWLKAMOMPW-QWHCGFSZSA-N -1 0 338.404 3.081 20 30 EGEDRM N#CCc1cccc(C(=O)NC[C@H]2CCCc3ccc(C(=O)[O-])cc32)c1 ZINC000595245614 459261770 /nfs/dbraw/zinc/26/17/70/459261770.db2.gz PAIDHKPSGOZYKF-GOSISDBHSA-N -1 0 348.402 3.301 20 30 EGEDRM CC(C)(C)OC(=O)N[C@@H]1CCCC(N=Nc2ccc(C(=O)[O-])nc2)C1 ZINC000496693292 459288499 /nfs/dbraw/zinc/28/84/99/459288499.db2.gz UBXMZGLTOQIXMY-LLVKDONJSA-N -1 0 348.403 3.015 20 30 EGEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccc3nccnc3n2)s1 ZINC000560371009 459332645 /nfs/dbraw/zinc/33/26/45/459332645.db2.gz MDMIZTBTQAJAHH-JTQLQIEISA-N -1 0 337.408 3.269 20 30 EGEDRM Cc1cc(C(C#N)=C([O-])c2cnc(-c3cccnc3)s2)nc(C)n1 ZINC000534939167 459353588 /nfs/dbraw/zinc/35/35/88/459353588.db2.gz SHFQDXVOOWDKGJ-CYBMUJFWSA-N -1 0 335.392 3.102 20 30 EGEDRM N#C[C@@H](NC(=O)c1cccc(Br)c1[O-])C1CCCCC1 ZINC000537673588 459367729 /nfs/dbraw/zinc/36/77/29/459367729.db2.gz ARHKRTPRYRFFSM-CYBMUJFWSA-N -1 0 337.217 3.357 20 30 EGEDRM Cn1nc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)c2c1CCCC2 ZINC000582767537 459423724 /nfs/dbraw/zinc/42/37/24/459423724.db2.gz LPLBJFKRKICIQQ-GFCCVEGCSA-N -1 0 348.328 3.203 20 30 EGEDRM CCSc1cc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)ccn1 ZINC000541704815 459480989 /nfs/dbraw/zinc/48/09/89/459480989.db2.gz LJWNVJLYCWIIBZ-LBPRGKRZSA-N -1 0 337.408 3.263 20 30 EGEDRM CC(C)(C)c1ccc(C#N)c(N2Cc3ccccc3[C@H](C(=O)[O-])C2)n1 ZINC000595972499 459489801 /nfs/dbraw/zinc/48/98/01/459489801.db2.gz NAIAYIGIUATNFE-MRXNPFEDSA-N -1 0 335.407 3.439 20 30 EGEDRM C=C[C@@H]1CCCCN1C(=O)N=c1[n-]nc(Cc2ccc(F)cc2)s1 ZINC000562330386 459540016 /nfs/dbraw/zinc/54/00/16/459540016.db2.gz JLNDWMMACJFIKD-CQSZACIVSA-N -1 0 346.431 3.262 20 30 EGEDRM COC(=O)c1cccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)c1 ZINC000592398749 459592091 /nfs/dbraw/zinc/59/20/91/459592091.db2.gz JKGGDHAWFIDJGP-CYBMUJFWSA-N -1 0 326.377 3.297 20 30 EGEDRM C=CCCSCCNC(=O)N=c1[n-]nc(-c2ccccc2)s1 ZINC000596456374 459642668 /nfs/dbraw/zinc/64/26/68/459642668.db2.gz QRHUKNBDTYGCCW-UHFFFAOYSA-N -1 0 334.470 3.058 20 30 EGEDRM C[C@H](C(=O)N=c1[n-]n(C(C)(C)C)cc1C#N)c1ccc(Cl)cc1 ZINC000593080096 459766844 /nfs/dbraw/zinc/76/68/44/459766844.db2.gz DZQODJNTDARYAV-NSHDSACASA-N -1 0 330.819 3.327 20 30 EGEDRM C=CCCCS(=O)(=O)N[C@@H](CC(=O)[O-])c1ccc2ccccc2c1 ZINC000565598100 459786535 /nfs/dbraw/zinc/78/65/35/459786535.db2.gz QNAAMLULELIFBD-KRWDZBQOSA-N -1 0 347.436 3.241 20 30 EGEDRM Cc1ccc(C([O-])=C(C#N)C(=O)NC2CCCC2)cc1C(F)(F)F ZINC000528922810 459817427 /nfs/dbraw/zinc/81/74/27/459817427.db2.gz BVMGUWYXUFBRHL-CYBMUJFWSA-N -1 0 338.329 3.395 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)N[C@@H]2CC[C@@H]2c2ccccc2)cc1C#N ZINC000598305699 459856827 /nfs/dbraw/zinc/85/68/27/459856827.db2.gz ZAHPTULJBQEYSG-UKRRQHHQSA-N -1 0 339.420 3.057 20 30 EGEDRM Cn1cc(C#N)c(=NC(=O)N[C@@H](CC(C)(C)C)c2ccc(F)cc2)[n-]1 ZINC000610561240 460183720 /nfs/dbraw/zinc/18/37/20/460183720.db2.gz HIABKMHZDWOILJ-HNNXBMFYSA-N -1 0 343.406 3.152 20 30 EGEDRM CCCCN(C(=O)N=c1[n-]n(C)cc1C#N)[C@H](C)c1ccc(C)o1 ZINC000610561584 460184564 /nfs/dbraw/zinc/18/45/64/460184564.db2.gz NJTSCAQEUNHKSZ-CYBMUJFWSA-N -1 0 329.404 3.010 20 30 EGEDRM Cn1cc(C#N)c(=NC(=O)N2CCC[C@@H]2c2cccc3ccccc32)[n-]1 ZINC000610565299 460185070 /nfs/dbraw/zinc/18/50/70/460185070.db2.gz SATIHWJHPGSUJG-GOSISDBHSA-N -1 0 345.406 3.236 20 30 EGEDRM CC(C)Cc1nc(=NC(=O)C[C@@H](CC#N)c2ccccc2)s[n-]1 ZINC000598190738 460198956 /nfs/dbraw/zinc/19/89/56/460198956.db2.gz FQFRQAFMOQIVQR-CQSZACIVSA-N -1 0 328.441 3.185 20 30 EGEDRM N#CC[C@H](CC(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1)c1ccccc1 ZINC000619434076 460355666 /nfs/dbraw/zinc/35/56/66/460355666.db2.gz BEYHXGXGKULLRB-CQSZACIVSA-N -1 0 348.362 3.056 20 30 EGEDRM CC[C@H](C)n1ncc([N-]S(=O)(=O)c2cccc(CC#N)c2)c1C ZINC000619463890 460363551 /nfs/dbraw/zinc/36/35/51/460363551.db2.gz SMZTUIMMAHWVIL-LBPRGKRZSA-N -1 0 332.429 3.029 20 30 EGEDRM N#CCc1cccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)on2)c1 ZINC000619569692 460386013 /nfs/dbraw/zinc/38/60/13/460386013.db2.gz WHOCPVWDIQQJRV-UHFFFAOYSA-N -1 0 339.376 3.208 20 30 EGEDRM Cc1nocc1S(=O)(=O)[N-]c1ccccc1SC[C@H](C)C#N ZINC000601974980 460967473 /nfs/dbraw/zinc/96/74/73/460967473.db2.gz FONKYTNGYGIGDZ-SNVBAGLBSA-N -1 0 337.426 3.036 20 30 EGEDRM CC(C)(C)Oc1ccc(NC(=O)[C@H]2CCC[C@@H]2C(=O)[O-])cc1C#N ZINC000601992369 460976371 /nfs/dbraw/zinc/97/63/71/460976371.db2.gz JSMUQXHHGWKLER-KBPBESRZSA-N -1 0 330.384 3.175 20 30 EGEDRM C=C(C)C[C@H](NC(=O)c1sc2ccc(OC)cc2c1C)C(=O)[O-] ZINC000630325106 461095344 /nfs/dbraw/zinc/09/53/44/461095344.db2.gz HTHQPFTYDAAMJD-ZDUSSCGKSA-N -1 0 333.409 3.368 20 30 EGEDRM C=CCOc1ccc(C(=O)N[C@@]2(C(=O)[O-])CC[C@H](C)CC2)cc1OC ZINC000659180802 461204237 /nfs/dbraw/zinc/20/42/37/461204237.db2.gz ZVTIQZBDOBLFJZ-HJGJAMNPSA-N -1 0 347.411 3.023 20 30 EGEDRM C=CC[C@H]1CCCN(C(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)C1 ZINC000659411893 461335340 /nfs/dbraw/zinc/33/53/40/461335340.db2.gz OWYUTPPZIKHUFE-KXBFYZLASA-N -1 0 330.428 3.027 20 30 EGEDRM Cc1c(C([O-])=C(C#N)c2nc(C3CC3)cs2)cnn1-c1ccccn1 ZINC000647378650 461668737 /nfs/dbraw/zinc/66/87/37/461668737.db2.gz OBYFGBJTYMMGGH-ZDUSSCGKSA-N -1 0 349.419 3.400 20 30 EGEDRM C=CCC[C@H](NC(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000654792077 462383364 /nfs/dbraw/zinc/38/33/64/462383364.db2.gz XEYIOUAYBJYWHP-GWCFXTLKSA-N -1 0 344.333 3.485 20 30 EGEDRM CCCc1csc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)n1 ZINC000186630709 535461586 /nfs/dbraw/zinc/46/15/86/535461586.db2.gz MROHUBNNSDSKLI-UHFFFAOYSA-N -1 0 341.845 3.421 20 30 EGEDRM CC(=O)c1ccc([O-])c(NC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)c1 ZINC000679726132 549768975 /nfs/dbraw/zinc/76/89/75/549768975.db2.gz YJUUPDMWJJLAQV-GOSISDBHSA-N -1 0 349.390 3.074 20 30 EGEDRM O=C(c1c([O-])cccc1F)N1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000681235624 549971097 /nfs/dbraw/zinc/97/10/97/549971097.db2.gz YKEOUKHESFBMQR-KNVOCYPGSA-N -1 0 345.214 3.344 20 30 EGEDRM C#Cc1cccc(NC(=S)NNc2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000726435044 574553058 /nfs/dbraw/zinc/55/30/58/574553058.db2.gz WZZUNJDJSCWPHP-UHFFFAOYSA-N -1 0 345.811 3.333 20 30 EGEDRM N#C[C@@H](NC(=O)c1ccc(NC(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000738423689 574661485 /nfs/dbraw/zinc/66/14/85/574661485.db2.gz UQTFYRALAYMJJX-CQSZACIVSA-N -1 0 329.743 3.425 20 30 EGEDRM Cc1nc(CC(C)C)sc1C([O-])=C(C#N)C(=O)NC1CCCCC1 ZINC000727954229 574706221 /nfs/dbraw/zinc/70/62/21/574706221.db2.gz XJRQBHIJBKIBEZ-AWEZNQCLSA-N -1 0 347.484 3.421 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])c(/C=N\[C@@H]2CCN(c3ccc(F)cc3F)C2)c1 ZINC000730146746 574924974 /nfs/dbraw/zinc/92/49/74/574924974.db2.gz DYFNXSGZKGJSPV-HHGUGQKFSA-N -1 0 347.321 3.276 20 30 EGEDRM Oc1ccc(Cl)cc1C=NNC(=S)NCc1ccc(F)cc1 ZINC000730561117 575000985 /nfs/dbraw/zinc/00/09/85/575000985.db2.gz DDEFMBJKRFRSAA-UHFFFAOYSA-N -1 0 337.807 3.183 20 30 EGEDRM C[C@H](OC(=O)c1ccccc1SCc1ccc(C#N)cc1)C(=O)[O-] ZINC000737717465 574997244 /nfs/dbraw/zinc/99/72/44/574997244.db2.gz OSXRECRPOYJFEO-LBPRGKRZSA-N -1 0 341.388 3.480 20 30 EGEDRM O=C([O-])c1ccc(N=NCc2sccc2Br)nc1 ZINC000764907937 575229446 /nfs/dbraw/zinc/22/94/46/575229446.db2.gz RKUQRQBDWZNAOW-UHFFFAOYSA-N -1 0 326.175 3.050 20 30 EGEDRM CC(C)CCN1c2ccccc2C(=N[N-]c2nccnc2Cl)C1=O ZINC000733080099 575306131 /nfs/dbraw/zinc/30/61/31/575306131.db2.gz DQFJVMUBLLYLBT-UHFFFAOYSA-N -1 0 343.818 3.339 20 30 EGEDRM O=C([O-])COc1cccc(CN=Nc2ncc(Cl)cc2Cl)c1 ZINC000733202032 575319543 /nfs/dbraw/zinc/31/95/43/575319543.db2.gz RUTIJWILVPUMAE-UHFFFAOYSA-N -1 0 340.166 3.298 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@H](C)c2cccs2)n1 ZINC000738782272 575421893 /nfs/dbraw/zinc/42/18/93/575421893.db2.gz IUEPWEBQZDRAGZ-GHMZBOCLSA-N -1 0 334.422 3.036 20 30 EGEDRM C#Cc1cccc(NC(=S)N2C[C@@H](CC(=O)[O-])c3ccccc32)c1 ZINC000736090683 575898469 /nfs/dbraw/zinc/89/84/69/575898469.db2.gz GOXMOXHOXWYVED-CQSZACIVSA-N -1 0 336.416 3.443 20 30 EGEDRM C=CC[C@H](NC(=O)N(C)Cc1ccc(C(=O)[O-])cc1)c1ccncc1 ZINC000736097266 575899102 /nfs/dbraw/zinc/89/91/02/575899102.db2.gz ZZYGVDJRHURTJA-KRWDZBQOSA-N -1 0 339.395 3.239 20 30 EGEDRM CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CCNC(=O)[O-])sc2C1 ZINC000736248853 575921484 /nfs/dbraw/zinc/92/14/84/575921484.db2.gz BFTGQIWPGNERLK-JTQLQIEISA-N -1 0 349.456 3.367 20 30 EGEDRM CC(C)C[C@@H](NC(=O)[O-])C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 ZINC000736414818 575953395 /nfs/dbraw/zinc/95/33/95/575953395.db2.gz JPDYCYPIBFOWIV-ZYHUDNBSSA-N -1 0 349.387 3.294 20 30 EGEDRM CC(C)COc1ccc(N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cn1 ZINC000736448239 575964936 /nfs/dbraw/zinc/96/49/36/575964936.db2.gz JSSKFTWIQCTPFQ-QGZVFWFLSA-N -1 0 325.368 3.226 20 30 EGEDRM CC(C)Oc1ccc(NC(=S)NN=Cc2ccoc2C(=O)[O-])cc1 ZINC000736494676 575974284 /nfs/dbraw/zinc/97/42/84/575974284.db2.gz QCEBFHCTIISVOY-UHFFFAOYSA-N -1 0 347.396 3.086 20 30 EGEDRM C[C@H](OC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)C(=O)[O-] ZINC000736687590 576005819 /nfs/dbraw/zinc/00/58/19/576005819.db2.gz CXRBHVAFHKWFCX-JTQLQIEISA-N -1 0 329.283 3.120 20 30 EGEDRM CC[C@@](C)(NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1)C(=O)[O-] ZINC000736861724 576050926 /nfs/dbraw/zinc/05/09/26/576050926.db2.gz UMEVPYHTVDJASC-LJQANCHMSA-N -1 0 337.379 3.285 20 30 EGEDRM CCCNc1ccc(C#N)cc1NC(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000737029294 576084690 /nfs/dbraw/zinc/08/46/90/576084690.db2.gz GAGALVPZLUVTRM-UHFFFAOYSA-N -1 0 340.383 3.276 20 30 EGEDRM CCOc1cc(N[C@H](C(=O)[O-])c2ccc(C#N)cc2)ccc1OC ZINC000737191407 576132349 /nfs/dbraw/zinc/13/23/49/576132349.db2.gz LHZJZXRRPUYRFG-KRWDZBQOSA-N -1 0 326.352 3.203 20 30 EGEDRM CCSc1ccc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)cn1 ZINC000737229097 576139489 /nfs/dbraw/zinc/13/94/89/576139489.db2.gz JHOFRRRYHLOIFF-HNNXBMFYSA-N -1 0 342.376 3.048 20 30 EGEDRM CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000737450852 576231637 /nfs/dbraw/zinc/23/16/37/576231637.db2.gz FIVKARBRJUFDNJ-UHFFFAOYSA-N -1 0 327.315 3.059 20 30 EGEDRM COc1ccc(OC)c(/C=C\C(=O)c2cccc(OCC(=O)[O-])c2)c1 ZINC000738104259 576289011 /nfs/dbraw/zinc/28/90/11/576289011.db2.gz FCBIGYIOAJGSRP-VURMDHGXSA-N -1 0 342.347 3.063 20 30 EGEDRM Cc1[nH]c(C(=O)CSCc2ccc(F)cc2C#N)c(C)c1C(=O)[O-] ZINC000738153926 576294332 /nfs/dbraw/zinc/29/43/32/576294332.db2.gz FBWDGDXKNVVWRX-UHFFFAOYSA-N -1 0 346.383 3.457 20 30 EGEDRM C#Cc1cccc(N(Cc2ccccc2)C(=O)CSCC(=O)[O-])c1 ZINC000738467694 576329094 /nfs/dbraw/zinc/32/90/94/576329094.db2.gz PVZLCAGDQZUBMI-UHFFFAOYSA-N -1 0 339.416 3.019 20 30 EGEDRM Cc1cccc(C[C@@H](CNc2c(C#N)nnc3ccccc32)C(=O)[O-])c1 ZINC000738708498 576353452 /nfs/dbraw/zinc/35/34/52/576353452.db2.gz WDDBWSIPZUZGLX-HNNXBMFYSA-N -1 0 346.390 3.165 20 30 EGEDRM N#Cc1ccc([C@@H](OC(=O)[C@H]2CCCc3ccccc32)C(=O)[O-])cc1 ZINC000739109534 576378493 /nfs/dbraw/zinc/37/84/93/576378493.db2.gz LSNVUIIGZDQDKO-ZWKOTPCHSA-N -1 0 335.359 3.347 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)c2ccc(-c3cnco3)cc2)C(=O)[O-])cc1 ZINC000739114376 576378741 /nfs/dbraw/zinc/37/87/41/576378741.db2.gz GQDDCHOUCMAYSC-KRWDZBQOSA-N -1 0 348.314 3.196 20 30 EGEDRM N#Cc1ccc([C@@H](OC(=O)c2ccc3cc(O)ccc3c2)C(=O)[O-])cc1 ZINC000739114675 576378742 /nfs/dbraw/zinc/37/87/42/576378742.db2.gz KBWFBXDLSQZWAY-GOSISDBHSA-N -1 0 347.326 3.400 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)c2ccnc3ccccc32)C(=O)[O-])cc1 ZINC000739116882 576378851 /nfs/dbraw/zinc/37/88/51/576378851.db2.gz FOBYQNWUYADMQX-KRWDZBQOSA-N -1 0 332.315 3.089 20 30 EGEDRM N#Cc1ccc(SCC(=O)O[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000739133002 576379450 /nfs/dbraw/zinc/37/94/50/576379450.db2.gz XXTBMQQLTGDTPS-INIZCTEOSA-N -1 0 327.361 3.019 20 30 EGEDRM N#Cc1ccccc1-c1ccc(COC(=O)CCCNC(=O)[O-])cc1 ZINC000739140157 576379515 /nfs/dbraw/zinc/37/95/15/576379515.db2.gz PQEWOGGUFPESIV-UHFFFAOYSA-N -1 0 338.363 3.316 20 30 EGEDRM Cc1ccc(F)c(NC(=S)NN=Cc2ccc(C(=O)[O-])cc2)c1 ZINC000745005738 576838332 /nfs/dbraw/zinc/83/83/32/576838332.db2.gz JESKJXGUZFOENI-UHFFFAOYSA-N -1 0 331.372 3.153 20 30 EGEDRM C[C@@H](C(=O)[O-])N(C)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000817762263 597459169 /nfs/dbraw/zinc/45/91/69/597459169.db2.gz CYLAUOGCUPYDEE-NSHDSACASA-N -1 0 342.326 3.035 20 30 EGEDRM CC(C)COc1ccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])cc1Cl ZINC000819980134 598223630 /nfs/dbraw/zinc/22/36/30/598223630.db2.gz KHOBYKWHOAVHKU-INIZCTEOSA-N -1 0 338.791 3.318 20 30 EGEDRM N#Cc1ccccc1CN(CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC000739146546 600145022 /nfs/dbraw/zinc/14/50/22/600145022.db2.gz HDNLGSJCLVERDE-UHFFFAOYSA-N -1 0 330.771 3.004 20 30 EGEDRM CCN(Cc1csc(-c2cccc(C(=O)[O-])c2)n1)C[C@@H](C)C#N ZINC000829734473 600821891 /nfs/dbraw/zinc/82/18/91/600821891.db2.gz CDOLCQLCPVHVPO-LBPRGKRZSA-N -1 0 329.425 3.490 20 30 EGEDRM N#CCCN(CC1CC1)C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000833065766 601129127 /nfs/dbraw/zinc/12/91/27/601129127.db2.gz LPTHTNORDLTNPJ-UHFFFAOYSA-N -1 0 347.440 3.162 20 30 EGEDRM CCc1[nH]c(C(=O)O[C@@H](C)c2ccc(C#N)cc2)c(C)c1C(=O)[O-] ZINC000830202087 601132770 /nfs/dbraw/zinc/13/27/70/601132770.db2.gz GQCVSKYXINDSDE-NSHDSACASA-N -1 0 326.352 3.373 20 30 EGEDRM CCC1CCC(NC(=O)/C=C/c2ccccc2C#N)(C(=O)[O-])CC1 ZINC000829085953 601276201 /nfs/dbraw/zinc/27/62/01/601276201.db2.gz CXJJHPWQPRNACF-BQYQJAHWSA-N -1 0 326.396 3.111 20 30 EGEDRM O=C([O-])CCSCc1cccc(NC(=O)C#Cc2ccccc2)c1 ZINC000833239100 601282708 /nfs/dbraw/zinc/28/27/08/601282708.db2.gz BHYIFNGVEZDDTJ-UHFFFAOYSA-N -1 0 339.416 3.385 20 30 EGEDRM Cc1ccccc1SCC(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832981469 601343555 /nfs/dbraw/zinc/34/35/55/601343555.db2.gz ICWMPVZNNVULDH-KRWDZBQOSA-N -1 0 341.388 3.328 20 30 EGEDRM N#Cc1cccc([C@@H](OC(=O)c2ccc(Cl)cc2F)C(=O)[O-])c1 ZINC000833077531 601346343 /nfs/dbraw/zinc/34/63/43/601346343.db2.gz VNGMZHZIGMMWHN-CQSZACIVSA-N -1 0 333.702 3.333 20 30 EGEDRM COc1cccc([C@H](C)C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000832527859 601350206 /nfs/dbraw/zinc/35/02/06/601350206.db2.gz DCVNKTVKTCVTPQ-SJCJKPOMSA-N -1 0 339.347 3.039 20 30 EGEDRM Cc1c(C(=O)[O-])c2cc(OC(=O)c3sccc3C#N)ccc2n1C ZINC000832851573 601449518 /nfs/dbraw/zinc/44/95/18/601449518.db2.gz FIDQRHFLYWBLOY-UHFFFAOYSA-N -1 0 340.360 3.337 20 30 EGEDRM CCc1oc(C(=O)[O-])cc1COC(=O)/C=C\c1ccccc1C#N ZINC000830384641 601461355 /nfs/dbraw/zinc/46/13/55/601461355.db2.gz YFUBYHBGCBPPLO-FPLPWBNLSA-N -1 0 325.320 3.168 20 30 EGEDRM CCc1nc(CNc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)no1 ZINC000830317973 601606111 /nfs/dbraw/zinc/60/61/11/601606111.db2.gz KIQPZNPDVSAGRM-UHFFFAOYSA-N -1 0 347.374 3.342 20 30 EGEDRM COC(=O)c1ccc(C=NOCc2cc(C(=O)[O-])sc2C)cc1 ZINC000831379514 601628561 /nfs/dbraw/zinc/62/85/61/601628561.db2.gz QOGQTTNXGNQYGL-UHFFFAOYSA-N -1 0 333.365 3.092 20 30 EGEDRM N#Cc1cc(F)c(C(=O)Oc2ccc(C(=O)[O-])cc2Cl)c(F)c1 ZINC000833069540 601650741 /nfs/dbraw/zinc/65/07/41/601650741.db2.gz DYGDGZJAHSOHNJ-UHFFFAOYSA-N -1 0 337.665 3.407 20 30 EGEDRM COc1ccc(NCc2ccc(C#N)cc2OC(F)F)c(C(=O)[O-])c1 ZINC000832413186 601787739 /nfs/dbraw/zinc/78/77/39/601787739.db2.gz IDJDXMRNGKEBMW-UHFFFAOYSA-N -1 0 348.305 3.479 20 30 EGEDRM Cc1ccc(C)c(N=C2NC(=O)/C(=C\c3c[nH]c(C(=O)[O-])c3)S2)c1 ZINC000832926025 601789542 /nfs/dbraw/zinc/78/95/42/601789542.db2.gz BSWFPEOIDKEPOE-VGOFMYFVSA-N -1 0 341.392 3.221 20 30 EGEDRM O=C([O-])c1cc(CN=Nc2c(F)cc(F)cc2Br)c[nH]1 ZINC000814857360 601797548 /nfs/dbraw/zinc/79/75/48/601797548.db2.gz WPGFMZUKSPQYEI-UHFFFAOYSA-N -1 0 344.115 3.200 20 30 EGEDRM O=C([O-])c1ccc(O)c(CN=Nc2nc(C(F)(F)F)cs2)c1 ZINC000833321409 601806995 /nfs/dbraw/zinc/80/69/95/601806995.db2.gz DPDCNTQABDTDLW-UHFFFAOYSA-N -1 0 331.275 3.012 20 30 EGEDRM C[C@H](OC1CCCCCC1)C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000827873198 602264900 /nfs/dbraw/zinc/26/49/00/602264900.db2.gz DXCYPOOKRDWIBW-GUYCJALGSA-N -1 0 345.395 3.355 20 30 EGEDRM CC1(C)C(=O)Nc2ccc(C(=O)/C=C/c3ccoc3C(=O)[O-])cc21 ZINC000828042296 602302621 /nfs/dbraw/zinc/30/26/21/602302621.db2.gz XKEWSURAUVHYLW-GQCTYLIASA-N -1 0 325.320 3.104 20 30 EGEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000827038204 604291061 /nfs/dbraw/zinc/29/10/61/604291061.db2.gz KPUGCXPTDQMJFD-UHFFFAOYSA-N -1 0 342.326 3.435 20 30 EGEDRM C=CCC[C@@H](Nc1cc(C)nc2nc(C(=O)[O-])nn21)c1ccccc1 ZINC000825664529 604463237 /nfs/dbraw/zinc/46/32/37/604463237.db2.gz CTEDGMCZSNYCDX-CQSZACIVSA-N -1 0 337.383 3.250 20 30 EGEDRM CC(=O)Nc1c(C)ccc(NCc2cccc(C(=O)[O-])c2C#N)c1C ZINC000833398012 604537223 /nfs/dbraw/zinc/53/72/23/604537223.db2.gz WCRJXQJFEIFLGD-UHFFFAOYSA-N -1 0 337.379 3.444 20 30 EGEDRM CC(C)C(=O)Nc1ccc(OCc2cccc(C(=O)[O-])c2C#N)cc1 ZINC000833466482 604548750 /nfs/dbraw/zinc/54/87/50/604548750.db2.gz HIRGGVATLOHYMH-UHFFFAOYSA-N -1 0 338.363 3.430 20 30 EGEDRM C=CCNc1nc(C(=O)O[C@@H](C)c2cc(C)c(C(=O)[O-])o2)cs1 ZINC000825692144 604553056 /nfs/dbraw/zinc/55/30/56/604553056.db2.gz KKOQHYVLZQATEW-VIFPVBQESA-N -1 0 336.369 3.259 20 30 EGEDRM Cc1oc(CN(C)C(=O)Nc2cccc(C#N)c2C)cc1C(=O)[O-] ZINC000833025713 604555639 /nfs/dbraw/zinc/55/56/39/604555639.db2.gz QHPDGPORLFREOJ-UHFFFAOYSA-N -1 0 327.340 3.130 20 30 EGEDRM C=CCOc1ccccc1C(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC000833378203 604580104 /nfs/dbraw/zinc/58/01/04/604580104.db2.gz AZHZHGVMMRPXGG-UHFFFAOYSA-N -1 0 337.331 3.178 20 30 EGEDRM CC(C)Cc1nc(C(=O)OCc2cccc(C(=O)[O-])c2C#N)cs1 ZINC000833495345 604583119 /nfs/dbraw/zinc/58/31/19/604583119.db2.gz ZVWRWUGVDPXTAF-UHFFFAOYSA-N -1 0 344.392 3.268 20 30 EGEDRM Cc1cc(F)c(C(=O)OCc2cccc(C(=O)[O-])c2C#N)cc1F ZINC000833744568 604585065 /nfs/dbraw/zinc/58/50/65/604585065.db2.gz ILXDFJPDHVBHSJ-UHFFFAOYSA-N -1 0 331.274 3.200 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)/C=C/SCc2ccco2)C(=O)[O-])cc1 ZINC000833073203 604600938 /nfs/dbraw/zinc/60/09/38/604600938.db2.gz XFYHQAYKEULURY-DYLHUKMJSA-N -1 0 343.360 3.267 20 30 EGEDRM CC(C)(Oc1ccc(C#N)cc1)C(=O)O[C@@H](C(=O)[O-])c1ccccc1 ZINC000826642336 604616291 /nfs/dbraw/zinc/61/62/91/604616291.db2.gz WKMNKECJQXRJMY-MRXNPFEDSA-N -1 0 339.347 3.085 20 30 EGEDRM CCN(C(C)=O)c1nc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2)cs1 ZINC000829602564 604629182 /nfs/dbraw/zinc/62/91/82/604629182.db2.gz QTLJKIYRCDGVOH-CMDGGOBGSA-N -1 0 344.392 3.110 20 30 EGEDRM CC(=NNC(=S)Nc1ccc(F)cc1)c1ccc(C(=O)[O-])cc1 ZINC000825804512 604635917 /nfs/dbraw/zinc/63/59/17/604635917.db2.gz KWGPTMVHWDFTRM-UHFFFAOYSA-N -1 0 331.372 3.235 20 30 EGEDRM Cc1c(C(C)N=Nc2ccc(C(=O)[O-])cn2)cnn1-c1ccccc1 ZINC000763370550 604666919 /nfs/dbraw/zinc/66/69/19/604666919.db2.gz RADXTQNQYOMXMU-UHFFFAOYSA-N -1 0 335.367 3.110 20 30 EGEDRM CCCOc1ccc(CN=Nc2ccc(C(=O)[O-])cn2)cc1OC ZINC000763371737 604669397 /nfs/dbraw/zinc/66/93/97/604669397.db2.gz KGIHHMPDQFDTOO-UHFFFAOYSA-N -1 0 329.356 3.023 20 30 EGEDRM C=C(C)CN(CC)C(=O)CSCc1ccc(C(=O)[O-])cc1F ZINC000833369048 604756576 /nfs/dbraw/zinc/75/65/76/604756576.db2.gz ALYBTLKRDVNGKH-UHFFFAOYSA-N -1 0 325.405 3.182 20 30 EGEDRM N#Cc1ccc(C=Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)c(F)c1 ZINC000833073256 604772216 /nfs/dbraw/zinc/77/22/16/604772216.db2.gz YICOYVIBSUIODN-GQCTYLIASA-N -1 0 335.294 3.215 20 30 EGEDRM N#Cc1ccc(C=Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)c(F)c1 ZINC000833073261 604772367 /nfs/dbraw/zinc/77/23/67/604772367.db2.gz YICOYVIBSUIODN-XQRVVYSFSA-N -1 0 335.294 3.215 20 30 EGEDRM CC(C)Oc1ccc(NC(=O)Cc2cccc(C(=O)[O-])c2)cc1C#N ZINC000833506872 604792509 /nfs/dbraw/zinc/79/25/09/604792509.db2.gz RYKBLENCUHQAFS-UHFFFAOYSA-N -1 0 338.363 3.225 20 30 EGEDRM O=C([O-])Nc1ccc(C(=O)OCC#Cc2cccc(Cl)c2)cc1O ZINC000833282606 604839693 /nfs/dbraw/zinc/83/96/93/604839693.db2.gz JODAJWCLCYBXND-UHFFFAOYSA-N -1 0 345.738 3.344 20 30 EGEDRM C=CCOc1ccc(C(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC000327357166 604857529 /nfs/dbraw/zinc/85/75/29/604857529.db2.gz HHFSZXMOHKXJEN-QGZVFWFLSA-N -1 0 337.375 3.470 20 30 EGEDRM C=CCn1c(S[C@@H](C(=O)[O-])C2CC2)nnc1-c1cccc(OC)c1 ZINC000833381028 605071783 /nfs/dbraw/zinc/07/17/83/605071783.db2.gz XZHRTMWTZPCTLK-CQSZACIVSA-N -1 0 345.424 3.095 20 30 EGEDRM C=CCCC[C@H](C)NC(=O)Nc1cc(C(=O)[O-])cc(OC)c1OC ZINC000833374396 605076806 /nfs/dbraw/zinc/07/68/06/605076806.db2.gz ZIPTXGUAQHCLTI-NSHDSACASA-N -1 0 336.388 3.268 20 30 EGEDRM C[C@@H]1CN(c2ccccc2C=[NH+][N-]c2ccccc2C(=O)[O-])CCO1 ZINC000833634991 605098444 /nfs/dbraw/zinc/09/84/44/605098444.db2.gz MNYZPIWNFTVFLJ-CQSZACIVSA-N -1 0 339.395 3.056 20 30 EGEDRM CC(C)Oc1ccc(NC(=O)Nc2cc(C(=O)[O-])n(C)c2)cc1C#N ZINC000833506460 605181677 /nfs/dbraw/zinc/18/16/77/605181677.db2.gz CZQYKBKMJYHUAB-UHFFFAOYSA-N -1 0 342.355 3.026 20 30 EGEDRM C[C@H](Oc1ccc(/C=C\C(=O)c2ccc(C#N)c(F)c2)cc1)C(=O)[O-] ZINC000794715394 605201157 /nfs/dbraw/zinc/20/11/57/605201157.db2.gz XMMBRAZYNTZRGP-REPPVQDKSA-N -1 0 339.322 3.445 20 30 EGEDRM CC[C@@](NC(=O)c1ccc(C2(C#N)CC2)cc1)(C(=O)[O-])c1ccccc1 ZINC000833643731 605213494 /nfs/dbraw/zinc/21/34/94/605213494.db2.gz ZXGQEJBQFWOSLW-NRFANRHFSA-N -1 0 348.402 3.362 20 30 EGEDRM Cc1ccc(C[C@@H](C)C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000833749039 605460224 /nfs/dbraw/zinc/46/02/24/605460224.db2.gz ZXSKZSWQUHLWAZ-RDTXWAMCSA-N -1 0 337.375 3.414 20 30 EGEDRM C=CCN(CCc1ccco1)C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000833374334 605484243 /nfs/dbraw/zinc/48/42/43/605484243.db2.gz GLARGULZNZSRTK-UHFFFAOYSA-N -1 0 332.331 3.380 20 30 EGEDRM CC(=NNc1cccc(C(=O)[O-])c1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000759179228 605593827 /nfs/dbraw/zinc/59/38/27/605593827.db2.gz LZSQKUBAHCVMOT-UHFFFAOYSA-N -1 0 337.379 3.451 20 30 EGEDRM N#Cc1c(F)cccc1-n1ccc(NCc2ccc(C(=O)[O-])cc2)n1 ZINC000833760884 605932057 /nfs/dbraw/zinc/93/20/57/605932057.db2.gz HXMFDHZHBURLQY-UHFFFAOYSA-N -1 0 336.326 3.193 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)N[C@H](C)c2ccccc2C)cc1C#N ZINC000027605905 1291290601 /nfs/dbraw/zinc/29/06/01/1291290601.db2.gz AGWDLVWYYQMJGK-LLVKDONJSA-N -1 0 327.409 3.180 20 30 EGEDRM O=C([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cc2ccccc2o1 ZINC000042233986 1291437414 /nfs/dbraw/zinc/43/74/14/1291437414.db2.gz RJCXSHDBKDIOGD-UHFFFAOYSA-N -1 0 346.320 3.035 20 30 EGEDRM CC(C)=C[C@@H]1[C@H](C(=O)[N-]S(=O)(=O)c2c(C)noc2C)C1(C)C ZINC000042290814 1291439782 /nfs/dbraw/zinc/43/97/82/1291439782.db2.gz MPQJPUCUIDHPTG-VXGBXAGGSA-N -1 0 326.418 3.175 20 30 EGEDRM Cc1cccc(OCC(=O)[N-]S(=O)(=O)C=Cc2ccccc2)c1 ZINC000042321163 1291440624 /nfs/dbraw/zinc/44/06/24/1291440624.db2.gz YENSWBOTZQXTNK-ZHACJKMWSA-N -1 0 331.393 3.331 20 30 EGEDRM CC(=O)Nc1ccc(S(=O)(=O)[N-]C(=O)CC2CCCCC2)cc1 ZINC000046927268 1291556911 /nfs/dbraw/zinc/55/69/11/1291556911.db2.gz WSIZETBKISQTEG-UHFFFAOYSA-N -1 0 338.429 3.261 20 30 EGEDRM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)c2cc(F)ccc2F)c1 ZINC000048471994 1291605576 /nfs/dbraw/zinc/60/55/76/1291605576.db2.gz STLXIYUQCWDIGD-UHFFFAOYSA-N -1 0 325.336 3.275 20 30 EGEDRM CCCCS(=O)(=O)[N-]C(=O)CCc1ccccc1Br ZINC000048518636 1291609280 /nfs/dbraw/zinc/60/92/80/1291609280.db2.gz HRZICTSWVUPMRG-UHFFFAOYSA-N -1 0 348.262 3.468 20 30 EGEDRM CCc1ccc(CCC(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000048598837 1291612668 /nfs/dbraw/zinc/61/26/68/1291612668.db2.gz NBJYQHZLWKUCPJ-UHFFFAOYSA-N -1 0 342.420 3.399 20 30 EGEDRM CCOCCCC(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000048614582 1291613143 /nfs/dbraw/zinc/61/31/43/1291613143.db2.gz IEYWVGNQOSDVET-UHFFFAOYSA-N -1 0 339.335 3.167 20 30 EGEDRM CC(C)COCCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000048615872 1291613919 /nfs/dbraw/zinc/61/39/19/1291613919.db2.gz CLHATRQJWABGCO-UHFFFAOYSA-N -1 0 339.457 3.273 20 30 EGEDRM CC(C)S(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000050206855 1291641089 /nfs/dbraw/zinc/64/10/89/1291641089.db2.gz FGTZWKRWQOGRBH-VXGBXAGGSA-N -1 0 346.246 3.247 20 30 EGEDRM CCc1ccc(C(=O)[N-]S(=O)(=O)Cc2ccc(Cl)nc2)s1 ZINC000058152786 1291880927 /nfs/dbraw/zinc/88/09/27/1291880927.db2.gz YFYKZPVQXPBIHF-UHFFFAOYSA-N -1 0 344.845 3.194 20 30 EGEDRM C[C@@H](OCC1CC1)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000064667483 1292062826 /nfs/dbraw/zinc/06/28/26/1292062826.db2.gz RGEOMNYEPAEPEA-GFCCVEGCSA-N -1 0 337.441 3.026 20 30 EGEDRM O=C(C=Cc1ccco1)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000064690860 1292063267 /nfs/dbraw/zinc/06/32/67/1292063267.db2.gz RJENHUCOKGMEOL-GQCTYLIASA-N -1 0 329.736 3.431 20 30 EGEDRM CC(C)c1cc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2F)[nH]n1 ZINC000068338273 1292198293 /nfs/dbraw/zinc/19/82/93/1292198293.db2.gz XPJKTIVMWSCFHI-UHFFFAOYSA-N -1 0 345.783 3.019 20 30 EGEDRM CO[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(C)c(C)c1)c1ccccc1 ZINC000069535301 1292244222 /nfs/dbraw/zinc/24/42/22/1292244222.db2.gz XGJZOCSFLHZWPR-MRXNPFEDSA-N -1 0 333.409 3.336 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)Cc2cccc(Cl)c2)cc1 ZINC000070030394 1292254761 /nfs/dbraw/zinc/25/47/61/1292254761.db2.gz CSRJCQWLBZZPDH-UHFFFAOYSA-N -1 0 334.784 3.100 20 30 EGEDRM C[C@H]1CCCC[C@@H]1OCC(=O)[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000073086821 1292305156 /nfs/dbraw/zinc/30/51/56/1292305156.db2.gz RSICDIZREJOYJP-FZMZJTMJSA-N -1 0 329.393 3.066 20 30 EGEDRM O=C(CCC(=O)c1cccs1)[N-]S(=O)(=O)c1ccccc1F ZINC000075799104 1292411071 /nfs/dbraw/zinc/41/10/71/1292411071.db2.gz YPCGDRMBMQNOKW-UHFFFAOYSA-N -1 0 341.385 3.196 20 30 EGEDRM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)C2=Cc3ccccc3OC2)c1 ZINC000077942977 1292491488 /nfs/dbraw/zinc/49/14/88/1292491488.db2.gz SLZAUTXRMJOPKA-UHFFFAOYSA-N -1 0 343.404 3.425 20 30 EGEDRM CC(C)(C(=O)[N-]S(=O)(=O)c1cccnc1)c1cccc(Cl)c1 ZINC000078834080 1292530278 /nfs/dbraw/zinc/53/02/78/1292530278.db2.gz NAPUHJGNTIFMEP-UHFFFAOYSA-N -1 0 338.816 3.358 20 30 EGEDRM O=C([N-]S(=O)(=O)Cc1ccccc1Cl)c1cc(F)cc(F)c1 ZINC000083791350 1292690699 /nfs/dbraw/zinc/69/06/99/1292690699.db2.gz PJUOCEWAQJFYHT-UHFFFAOYSA-N -1 0 345.754 3.453 20 30 EGEDRM O=C(CCc1ccco1)[N-]S(=O)(=O)Cc1ccccc1Cl ZINC000083791628 1292690809 /nfs/dbraw/zinc/69/08/09/1292690809.db2.gz UCHBYNYWEAPTHW-UHFFFAOYSA-N -1 0 327.789 3.352 20 30 EGEDRM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)[N-]S(=O)(=O)C1CCCC1 ZINC000086055481 1292728990 /nfs/dbraw/zinc/72/89/90/1292728990.db2.gz VKYXHXLRINTRFF-SECBINFHSA-N -1 0 349.811 3.475 20 30 EGEDRM CCCS(=O)(=O)[N-]C(=O)[C@@H](Oc1cccc(Cl)c1)C(C)C ZINC000091696808 1292840663 /nfs/dbraw/zinc/84/06/63/1292840663.db2.gz RZUSSAHESGWFEO-ZDUSSCGKSA-N -1 0 333.837 3.440 20 30 EGEDRM CCCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000107022550 1293057830 /nfs/dbraw/zinc/05/78/30/1293057830.db2.gz GGDROJXWDSEESV-NSHDSACASA-N -1 0 342.848 3.233 20 30 EGEDRM CCc1nocc1/C=C/C(=O)c1ccc(OCCCC(=O)[O-])cc1 ZINC000834404927 1293090817 /nfs/dbraw/zinc/09/08/17/1293090817.db2.gz NTJNLVGJSLPZOV-JXMROGBWSA-N -1 0 329.352 3.377 20 30 EGEDRM CC(=NOC(C)C)c1cc(Br)ccc1OCC(=O)[O-] ZINC000834999390 1293184783 /nfs/dbraw/zinc/18/47/83/1293184783.db2.gz AJOABOCODFCOEF-UHFFFAOYSA-N -1 0 330.178 3.062 20 30 EGEDRM CCOC(=O)[C@@H]1CCC(N=Nc2ccc(C(=O)[O-])c(F)c2)[C@@H](C)C1 ZINC000835009740 1293186848 /nfs/dbraw/zinc/18/68/48/1293186848.db2.gz BUNAXLIHVIVQRB-WDEREUQCSA-N -1 0 336.363 3.291 20 30 EGEDRM Cc1ccc(C([O-])=C(C#N)C(=O)N2CCCC2)cc1Oc1ccncc1 ZINC000115902322 1293196550 /nfs/dbraw/zinc/19/65/50/1293196550.db2.gz FCDZUFUPMYKZQU-KRWDZBQOSA-N -1 0 349.390 3.127 20 30 EGEDRM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2ccsn2)cc1 ZINC000835062660 1293196941 /nfs/dbraw/zinc/19/69/41/1293196941.db2.gz QMPIKQNGYAEZJT-CQSZACIVSA-N -1 0 327.409 3.447 20 30 EGEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)C=C(C)CC ZINC000835077094 1293202113 /nfs/dbraw/zinc/20/21/13/1293202113.db2.gz OIJYRVXRIXOIQG-FROQITRMSA-N -1 0 330.384 3.056 20 30 EGEDRM C[C@@H]1CCc2sc(C([O-])=C(C#N)C(=O)NC3CCCC3)cc2C1 ZINC000119746210 1293286819 /nfs/dbraw/zinc/28/68/19/1293286819.db2.gz DNHDGFSDYUZCAT-BXUZGUMPSA-N -1 0 330.453 3.254 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2oc3ccccc3c2CC)CC1 ZINC000835448408 1293293870 /nfs/dbraw/zinc/29/38/70/1293293870.db2.gz FQCZPVBVOIEHBA-UHFFFAOYSA-N -1 0 333.409 3.164 20 30 EGEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1ccc(OCC2CC2)cc1 ZINC000121255333 1293362922 /nfs/dbraw/zinc/36/29/22/1293362922.db2.gz RDQVCXGNZARPMQ-IBGZPJMESA-N -1 0 348.402 3.114 20 30 EGEDRM N#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000122371126 1293411085 /nfs/dbraw/zinc/41/10/85/1293411085.db2.gz BWSSHCWGHVDVAV-UHFFFAOYSA-N -1 0 346.383 3.018 20 30 EGEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)CCc1ccc(-c2ccccc2)o1 ZINC000122859907 1293427554 /nfs/dbraw/zinc/42/75/54/1293427554.db2.gz NDSRBHHOQJNJLS-INIZCTEOSA-N -1 0 347.374 3.204 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2cc(Cl)cc(Cl)c2)C(=O)O1 ZINC000125783348 1293516944 /nfs/dbraw/zinc/51/69/44/1293516944.db2.gz NYYNJBBJKIAXMR-HSWBROFVSA-N -1 0 325.147 3.222 20 30 EGEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1cccc(-n2cccc2)c1 ZINC000126864257 1293546242 /nfs/dbraw/zinc/54/62/42/1293546242.db2.gz PNJFQUHBZGOYNS-LJQANCHMSA-N -1 0 343.386 3.116 20 30 EGEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1cccc(Br)c1 ZINC000127353006 1293560620 /nfs/dbraw/zinc/56/06/20/1293560620.db2.gz QRFFRKMBVANJSO-AWEZNQCLSA-N -1 0 349.228 3.220 20 30 EGEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1cccc(-n2cccc2)c1 ZINC000127380335 1293561863 /nfs/dbraw/zinc/56/18/63/1293561863.db2.gz LJLKHZBAYRVQMW-SFHVURJKSA-N -1 0 335.407 3.249 20 30 EGEDRM CC(C)NC(=O)C(C#N)=C([O-])c1ccc(CCC(F)(F)F)cc1 ZINC000152370413 1293966260 /nfs/dbraw/zinc/96/62/60/1293966260.db2.gz MFXKPUNCIPUDCW-CYBMUJFWSA-N -1 0 326.318 3.029 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2cc(F)cc(C(F)(F)F)c2)C(=O)O1 ZINC000157202956 1294171002 /nfs/dbraw/zinc/17/10/02/1294171002.db2.gz ZVAXSHADVAAWHR-HSWBROFVSA-N -1 0 342.244 3.073 20 30 EGEDRM N#Cc1cccc([N-]S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c1 ZINC000161376234 1294291273 /nfs/dbraw/zinc/29/12/73/1294291273.db2.gz SUTJFLSAPVUMTC-UHFFFAOYSA-N -1 0 348.252 3.055 20 30 EGEDRM C=CC[C@@H](NC(=O)Nc1ccc(Br)cc1Cl)C(=O)[O-] ZINC000161646947 1294297408 /nfs/dbraw/zinc/29/74/08/1294297408.db2.gz SKGBYMVCULSEQB-SNVBAGLBSA-N -1 0 347.596 3.253 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2cnc(-c3ccccc3)s2)C(=O)O1 ZINC000171157444 1294396145 /nfs/dbraw/zinc/39/61/45/1294396145.db2.gz LNMANTSQMUZVBS-KXPUMZMLSA-N -1 0 339.372 3.038 20 30 EGEDRM CC(C)=CCOc1cccc(C([O-])=C(C#N)C(=O)NC2CCCC2)c1 ZINC000173996733 1294475938 /nfs/dbraw/zinc/47/59/38/1294475938.db2.gz HBYROKVGLDLWHW-SFHVURJKSA-N -1 0 340.423 3.413 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(O[C@H](C)CC)cc1 ZINC000175096525 1294539023 /nfs/dbraw/zinc/53/90/23/1294539023.db2.gz FBAGJLAVHGUULW-RHSMWYFYSA-N -1 0 330.428 3.493 20 30 EGEDRM N#Cc1ccc(O)c([N-]S(=O)(=O)c2ccccc2C(F)(F)F)c1 ZINC000175686574 1294568994 /nfs/dbraw/zinc/56/89/94/1294568994.db2.gz RQTBTMRBFYZFJI-UHFFFAOYSA-N -1 0 342.298 3.083 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)c2cccc(OC[C@H]3CCCO3)c2)c1 ZINC000176820733 1294633987 /nfs/dbraw/zinc/63/39/87/1294633987.db2.gz MYCHUBJXWBTOAI-MRXNPFEDSA-N -1 0 338.363 3.074 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)[C@H]2CCCCN2Cc2ccccc2)c1 ZINC000179728995 1294820055 /nfs/dbraw/zinc/82/00/55/1294820055.db2.gz VIYUBSVJJUOJBJ-GOSISDBHSA-N -1 0 335.407 3.257 20 30 EGEDRM Cc1c(C(=O)Nc2cc(C#N)ccc2[O-])cnn1-c1ccccc1C ZINC000179734614 1294820859 /nfs/dbraw/zinc/82/08/59/1294820859.db2.gz NJWNVXQYKAOXSO-UHFFFAOYSA-N -1 0 332.363 3.319 20 30 EGEDRM C=C[C@@H](CC(=O)[N-]S(=O)(=O)c1cc(C)oc1C)c1ccccc1 ZINC000181311237 1294955449 /nfs/dbraw/zinc/95/54/49/1294955449.db2.gz RWYYKSRIAUUEQT-AWEZNQCLSA-N -1 0 333.409 3.061 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])c(/C=N/C[C@H]2COC3(CCCCCC3)O2)c1 ZINC000182236908 1295029578 /nfs/dbraw/zinc/02/95/78/1295029578.db2.gz BHOWZLIBZKXQKD-ZNBBLSJYSA-N -1 0 334.372 3.185 20 30 EGEDRM C[C@@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000183131626 1295100882 /nfs/dbraw/zinc/10/08/82/1295100882.db2.gz VTJOTAMCYVCYDX-JTQLQIEISA-N -1 0 338.335 3.056 20 30 EGEDRM C[C@@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1c(F)cccc1F ZINC000183129174 1295100895 /nfs/dbraw/zinc/10/08/95/1295100895.db2.gz MFDLUCDXJSLASP-JTQLQIEISA-N -1 0 338.335 3.056 20 30 EGEDRM C[C@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000183129421 1295101197 /nfs/dbraw/zinc/10/11/97/1295101197.db2.gz SNSQABOIJCQRQD-SNVBAGLBSA-N -1 0 338.335 3.056 20 30 EGEDRM CN1C(=O)CCc2cc(/C=C/C(=O)c3csc(C(=O)[O-])c3)ccc21 ZINC000187641599 1295405690 /nfs/dbraw/zinc/40/56/90/1295405690.db2.gz AHTRTIPWIYUQJW-ZZXKWVIFSA-N -1 0 341.388 3.251 20 30 EGEDRM C#CCCCC(=O)[N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000191022720 1295639234 /nfs/dbraw/zinc/63/92/34/1295639234.db2.gz JHGZFWYBBNHEKZ-UHFFFAOYSA-N -1 0 333.453 3.343 20 30 EGEDRM C=CCC1(C(=O)[N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)CCC1 ZINC000192188500 1295742250 /nfs/dbraw/zinc/74/22/50/1295742250.db2.gz WWTSEZDHQCFUSC-UHFFFAOYSA-N -1 0 335.469 3.472 20 30 EGEDRM Cc1cc(C)c(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)s1 ZINC000870307969 1295804698 /nfs/dbraw/zinc/80/46/98/1295804698.db2.gz CPKIMSRQCBDZKN-HNNXBMFYSA-N -1 0 326.421 3.312 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(Br)cc1 ZINC000193367558 1295856025 /nfs/dbraw/zinc/85/60/25/1295856025.db2.gz RNEYXGRYHZPCHE-CYBMUJFWSA-N -1 0 337.217 3.078 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cn(CC)c2ccccc12 ZINC000193373855 1295858907 /nfs/dbraw/zinc/85/89/07/1295858907.db2.gz DWOCCGQIPBMIHL-HNNXBMFYSA-N -1 0 325.412 3.290 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cnc(-c2ccccc2)s1 ZINC000193381428 1295861020 /nfs/dbraw/zinc/86/10/20/1295861020.db2.gz QYWZNCPYPWONIP-AWEZNQCLSA-N -1 0 341.436 3.439 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)C(=O)NC2CC2)c(C)n1[C@@H](C)c1ccccc1 ZINC000193464091 1295872751 /nfs/dbraw/zinc/87/27/51/1295872751.db2.gz YAPQIGCYNUNXBF-LIRRHRJNSA-N -1 0 349.434 3.315 20 30 EGEDRM Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H](C)c1ccccc1F ZINC000194023025 1295934342 /nfs/dbraw/zinc/93/43/42/1295934342.db2.gz VEAZRSFCVLWUMT-ZDUSSCGKSA-N -1 0 342.370 3.240 20 30 EGEDRM C[C@@H](Oc1cccc(/C=C\C(=O)c2ccc([N+](=O)[O-])cc2)c1)C(=O)[O-] ZINC000208112131 1296097387 /nfs/dbraw/zinc/09/73/87/1296097387.db2.gz LNMZOSAAPQDYAD-DUWGPSABSA-N -1 0 341.319 3.343 20 30 EGEDRM COc1cc(/C=C\C(=O)c2ccc(C)cc2)ccc1OCC(=O)[O-] ZINC000211361301 1296103538 /nfs/dbraw/zinc/10/35/38/1296103538.db2.gz KIGBMJNSWMTGTA-UITAMQMPSA-N -1 0 326.348 3.363 20 30 EGEDRM COc1ccc(OC)c(C(=O)/C=C\c2ccc(OCC(=O)[O-])cc2)c1 ZINC000211790362 1296105505 /nfs/dbraw/zinc/10/55/05/1296105505.db2.gz FBLVZMXUZJQMHM-UITAMQMPSA-N -1 0 342.347 3.063 20 30 EGEDRM N#CCOc1cc(F)ccc1NC(=O)CC1(CC(=O)[O-])CCCCC1 ZINC000238090529 1296277756 /nfs/dbraw/zinc/27/77/56/1296277756.db2.gz JTEJZCOFTDBPBK-UHFFFAOYSA-N -1 0 348.374 3.482 20 30 EGEDRM COc1cc2c(c(/C=C\C(=O)c3ccc(O)cc3[O-])c1)O[C@@H](C)C2 ZINC000254958079 1296483287 /nfs/dbraw/zinc/48/32/87/1296483287.db2.gz ONHDCHIDYNZDRZ-UUSYTGMJSA-N -1 0 326.348 3.326 20 30 EGEDRM C=CCC[C@@H](NC(=O)c1cc(Cl)ccc1OC(C)C)C(=O)[O-] ZINC000262821775 1296648793 /nfs/dbraw/zinc/64/87/93/1296648793.db2.gz FCUMWWKHLYHCGA-CYBMUJFWSA-N -1 0 325.792 3.276 20 30 EGEDRM C=CCC[C@H](NC(=O)C[C@H](c1ccccc1)C(F)(F)F)C(=O)[O-] ZINC000262923300 1296652089 /nfs/dbraw/zinc/65/20/89/1296652089.db2.gz OEKWMNGVIUWSKD-OLZOCXBDSA-N -1 0 329.318 3.258 20 30 EGEDRM Cc1nn(C)c2nc(Cl)cc(N=NC3CC[C@H](C(=O)[O-])C[C@@H]3C)c12 ZINC000872422737 1296953368 /nfs/dbraw/zinc/95/33/68/1296953368.db2.gz SFUFRYQFIXFNBG-WPRPVWTQSA-N -1 0 349.822 3.219 20 30 EGEDRM C#CC[C@@H](NC(=O)[C@](C)(CC(=O)[O-])c1ccsc1)c1ccccc1 ZINC000872851563 1297140221 /nfs/dbraw/zinc/14/02/21/1297140221.db2.gz CQROHXYPGDLEFA-VQIMIIECSA-N -1 0 341.432 3.361 20 30 EGEDRM C#Cc1cccc(NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)c1 ZINC000321912135 1297184495 /nfs/dbraw/zinc/18/44/95/1297184495.db2.gz SBEUITAVFQTNSL-UHFFFAOYSA-N -1 0 349.795 3.129 20 30 EGEDRM C=CC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(OCC)c(C(C)C)c1 ZINC000873583378 1297609647 /nfs/dbraw/zinc/60/96/47/1297609647.db2.gz NCCRZJUYHYYBID-UHFFFAOYSA-N -1 0 339.457 3.226 20 30 EGEDRM CON=Cc1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)cc1 ZINC000588587485 1298088914 /nfs/dbraw/zinc/08/89/14/1298088914.db2.gz GLCDOSPRLXTYHE-OAHLLOKOSA-N -1 0 330.347 3.100 20 30 EGEDRM O=C(/C=C\c1ccc2c(c1)NC(=O)CO2)c1cc(Cl)ccc1[O-] ZINC000588615862 1298092700 /nfs/dbraw/zinc/09/27/00/1298092700.db2.gz XMMGCEOVGXGLEF-RJRFIUFISA-N -1 0 329.739 3.273 20 30 EGEDRM Cc1n[nH]c(C)c1/C=C/C(=O)c1cc(C(=O)[O-])ccc1OC(C)C ZINC000876498342 1298794714 /nfs/dbraw/zinc/79/47/14/1298794714.db2.gz VMJYTSAKIKHWTE-VOTSOKGWSA-N -1 0 328.368 3.408 20 30 EGEDRM CCCCCCCCc1nnc([N-]C(=O)c2cc(CO)on2)s1 ZINC000748025679 1298912505 /nfs/dbraw/zinc/91/25/05/1298912505.db2.gz UXDBCQGHXMIQEF-UHFFFAOYSA-N -1 0 338.433 3.174 20 30 EGEDRM C=C(C)CN1C(=O)/C(=C/c2ccc([N+](=O)[O-])c([O-])c2)SC1=S ZINC000748358295 1298993494 /nfs/dbraw/zinc/99/34/94/1298993494.db2.gz SVZGFIGLMZGZLZ-SDQBBNPISA-N -1 0 336.394 3.078 20 30 EGEDRM O=C([N-]CCOc1ccc(C(F)(F)F)cc1)C(F)(F)C(F)F ZINC000749351440 1299198951 /nfs/dbraw/zinc/19/89/51/1299198951.db2.gz XFDJKFGCCZFTIP-UHFFFAOYSA-N -1 0 333.203 3.101 20 30 EGEDRM O=C([O-])COc1ccc(/C=C/C(=O)c2cc([N+](=O)[O-])ccc2F)cc1 ZINC000752879154 1299811534 /nfs/dbraw/zinc/81/15/34/1299811534.db2.gz FQLYPGOHAVASCT-FPYGCLRLSA-N -1 0 345.282 3.093 20 30 EGEDRM C#CCOc1cccc([N-]S(=O)(=O)c2cnc3ccsc3c2)c1 ZINC000753080175 1299864964 /nfs/dbraw/zinc/86/49/64/1299864964.db2.gz PUYIJDOHUQEWGE-UHFFFAOYSA-N -1 0 344.417 3.109 20 30 EGEDRM C=CCN(C(=O)c1cc2ccccc2cc1[N-]S(C)(=O)=O)C1CC1 ZINC000754419373 1300143279 /nfs/dbraw/zinc/14/32/79/1300143279.db2.gz PTLMDHDJYCOVOP-UHFFFAOYSA-N -1 0 344.436 3.002 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])c(CN=Nc2nc(C(F)(F)F)cs2)c1 ZINC000755906330 1300413868 /nfs/dbraw/zinc/41/38/68/1300413868.db2.gz XLNOEMZTSRCZBP-UHFFFAOYSA-N -1 0 332.263 3.222 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])c(/C=N\Cc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000756776274 1300564842 /nfs/dbraw/zinc/56/48/42/1300564842.db2.gz UXLILGSWBLNJSD-PXNMLYILSA-N -1 0 335.703 3.481 20 30 EGEDRM CCOc1cc(C=NNc2ccc(C(=O)[O-])cc2OC)ccc1OC ZINC000756901228 1300585542 /nfs/dbraw/zinc/58/55/42/1300585542.db2.gz LSXPTTRGJGMHLB-UHFFFAOYSA-N -1 0 344.367 3.247 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1N=NC1CSCCc2ccccc21 ZINC000756898778 1300586320 /nfs/dbraw/zinc/58/63/20/1300586320.db2.gz CAYDPCKGTRSREQ-UHFFFAOYSA-N -1 0 342.420 3.499 20 30 EGEDRM O=C(/C=C\c1ccc(N2CCOCC2)cc1)c1cc(F)cc(F)c1[O-] ZINC000757474959 1300674565 /nfs/dbraw/zinc/67/45/65/1300674565.db2.gz DUXKLUWGYOQZFR-UTCJRWHESA-N -1 0 345.345 3.403 20 30 EGEDRM COCCOc1cccc(/C=C/C(=O)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000759091238 1301013523 /nfs/dbraw/zinc/01/35/23/1301013523.db2.gz PYHMPBIXOATYDA-FNORWQNLSA-N -1 0 343.335 3.222 20 30 EGEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)C[C@@H](C)C1CC1 ZINC000759240358 1301048370 /nfs/dbraw/zinc/04/83/70/1301048370.db2.gz SKGYIHUFYLKLDC-YGRLFVJLSA-N -1 0 344.411 3.136 20 30 EGEDRM COc1ccc(C=NNc2cc(C)ccc2F)c(OCC(=O)[O-])c1 ZINC000759652405 1301136893 /nfs/dbraw/zinc/13/68/93/1301136893.db2.gz IWGXOMRYEZRNNU-UHFFFAOYSA-N -1 0 332.331 3.052 20 30 EGEDRM COc1ccccc1N1CCC(N=Nc2ccc(C(=O)[O-])cc2)CC1 ZINC000760218646 1301235738 /nfs/dbraw/zinc/23/57/38/1301235738.db2.gz NLKZIUGEBWKTLX-UHFFFAOYSA-N -1 0 339.395 3.462 20 30 EGEDRM CS(=O)(=O)c1ccc(/C=C\C(=O)c2ccc([O-])c(Cl)c2)cc1 ZINC000768751494 1302971060 /nfs/dbraw/zinc/97/10/60/1302971060.db2.gz CETLGMLEILWNAF-YWEYNIOJSA-N -1 0 336.796 3.345 20 30 EGEDRM CCCCCC[C@](C)(CC)C(=O)[N-]S(=O)(=O)CC(C)(C)C#N ZINC000776144952 1304101310 /nfs/dbraw/zinc/10/13/10/1304101310.db2.gz YMBNOYVAYUEFCF-INIZCTEOSA-N -1 0 330.494 3.369 20 30 EGEDRM C=CCC[C@H](C(=O)[N-]S(=O)(=O)c1ccc(F)cc1)c1ccccc1 ZINC000778595571 1304472223 /nfs/dbraw/zinc/47/22/23/1304472223.db2.gz KNACSVZXDBEYLV-KRWDZBQOSA-N -1 0 347.411 3.381 20 30 EGEDRM C=CCC[C@@H](C(=O)[N-]S(=O)(=O)c1ccsc1)c1ccccc1 ZINC000778683284 1304479253 /nfs/dbraw/zinc/47/92/53/1304479253.db2.gz YZOKRTRTLJZNCY-OAHLLOKOSA-N -1 0 335.450 3.303 20 30 EGEDRM C=CCNC(=O)C(C#N)=C([O-])c1cc(C)n(-c2ccccc2C)c1C ZINC000779196702 1304541275 /nfs/dbraw/zinc/54/12/75/1304541275.db2.gz INNOHFLAHBQQKY-KRWDZBQOSA-N -1 0 335.407 3.027 20 30 EGEDRM CC(C)CCCCCC(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC000779314219 1304555120 /nfs/dbraw/zinc/55/51/20/1304555120.db2.gz BASNIGAAERJNJF-UHFFFAOYSA-N -1 0 328.478 3.123 20 30 EGEDRM C[C@H](C#N)Oc1ccccc1NC(=O)C[C@@H](C(=O)[O-])c1ccccc1 ZINC000779703681 1304594164 /nfs/dbraw/zinc/59/41/64/1304594164.db2.gz KEPDFQULVLFPKH-UKRRQHHQSA-N -1 0 338.363 3.174 20 30 EGEDRM C#CCOc1ccccc1[N-]S(=O)(=O)c1cccc(C(F)F)c1 ZINC000780403863 1304686152 /nfs/dbraw/zinc/68/61/52/1304686152.db2.gz YXMTVQQOXPKBAJ-UHFFFAOYSA-N -1 0 337.347 3.437 20 30 EGEDRM COc1cc(F)c(C(=O)/C=C\c2cc(C(=O)[O-])cs2)cc1OC ZINC000782206215 1304931190 /nfs/dbraw/zinc/93/11/90/1304931190.db2.gz ISLWUBPLVBLTJF-ARJAWSKDSA-N -1 0 336.340 3.499 20 30 EGEDRM O=C([O-])c1csc(/C=C2/COc3c(cc(F)cc3[N+](=O)[O-])C2=O)c1 ZINC000782205953 1304931509 /nfs/dbraw/zinc/93/15/09/1304931509.db2.gz FMCATYJRPLMIBL-XFSBKJJWSA-N -1 0 349.295 3.152 20 30 EGEDRM COc1cc(NC(C)=O)ccc1C(=O)/C=C/c1cc(C(=O)[O-])cs1 ZINC000782208297 1304931962 /nfs/dbraw/zinc/93/19/62/1304931962.db2.gz VRJMAERPUNZSSX-GQCTYLIASA-N -1 0 345.376 3.309 20 30 EGEDRM CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(C#N)c(O)c1 ZINC000785535953 1305372437 /nfs/dbraw/zinc/37/24/37/1305372437.db2.gz WDCWPOPMLWKSLY-UHFFFAOYSA-N -1 0 337.423 3.381 20 30 EGEDRM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1cnc(C2CC2)o1 ZINC000892493355 1305404323 /nfs/dbraw/zinc/40/43/23/1305404323.db2.gz HWCLFUKXBQOFQN-LBPRGKRZSA-N -1 0 329.743 3.167 20 30 EGEDRM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1cnc(C2CC2)o1 ZINC000892499187 1305408395 /nfs/dbraw/zinc/40/83/95/1305408395.db2.gz SYVUDVUTFMVHQN-SNVBAGLBSA-N -1 0 347.733 3.306 20 30 EGEDRM Cc1ccc(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)s1 ZINC000786535702 1305592776 /nfs/dbraw/zinc/59/27/76/1305592776.db2.gz TXOGGMHOEQSJSA-ZDUSSCGKSA-N -1 0 332.812 3.349 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)c(C)s1 ZINC000786543795 1305593783 /nfs/dbraw/zinc/59/37/83/1305593783.db2.gz SVYQHJXBCWBUJD-INIZCTEOSA-N -1 0 326.421 3.312 20 30 EGEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1ccc(C#N)s1)c1ccccc1 ZINC000787039219 1305681238 /nfs/dbraw/zinc/68/12/38/1305681238.db2.gz QGYGNEPDBGYHJB-HUUCEWRRSA-N -1 0 337.404 3.210 20 30 EGEDRM C[C@H]1CCc2[nH]nc(C([O-])=C(C#N)c3cc(C(F)(F)F)ccn3)c2C1 ZINC000893061339 1305685614 /nfs/dbraw/zinc/68/56/14/1305685614.db2.gz KXQOLMSFRQYPBO-CABZTGNLSA-N -1 0 348.328 3.438 20 30 EGEDRM O=C([O-])[C@H]1CCC(N=Nc2cnc3ccccc3n2)c2ccccc21 ZINC000789004480 1306062310 /nfs/dbraw/zinc/06/23/10/1306062310.db2.gz GYTUGDXTUKKWRS-AWEZNQCLSA-N -1 0 332.363 3.408 20 30 EGEDRM C#CCOc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2F)cc1 ZINC000790069668 1306256611 /nfs/dbraw/zinc/25/66/11/1306256611.db2.gz XPKYDZQEJPOMDE-UHFFFAOYSA-N -1 0 339.775 3.292 20 30 EGEDRM CC[C@@H](NN=Cc1cc(C)c(OCc2ccccn2)c(C)c1)C(=O)[O-] ZINC000793055287 1309288523 /nfs/dbraw/zinc/28/85/23/1309288523.db2.gz LCTPXTVFOLUZIO-QGZVFWFLSA-N -1 0 341.411 3.064 20 30 EGEDRM CC[C@@H](NN=Cc1ccc(OCc2ccc(F)cc2)cc1)C(=O)[O-] ZINC000793072899 1309291126 /nfs/dbraw/zinc/29/11/26/1309291126.db2.gz RBSBTYWJWSXPPD-QGZVFWFLSA-N -1 0 330.359 3.191 20 30 EGEDRM CC[C@@H](NN=Cc1cccc(OCc2ccc(F)cc2)c1)C(=O)[O-] ZINC000793079888 1309291719 /nfs/dbraw/zinc/29/17/19/1309291719.db2.gz UUNAEXZNQCBTIQ-QGZVFWFLSA-N -1 0 330.359 3.191 20 30 EGEDRM CC[C@@H](NN=C(C)c1ccc(OCc2ccccc2)cc1)C(=O)[O-] ZINC000793077091 1309292087 /nfs/dbraw/zinc/29/20/87/1309292087.db2.gz ABSYHIOBWHZCGR-GOSISDBHSA-N -1 0 326.396 3.442 20 30 EGEDRM O=C([N-]CCc1cccc(OCC(F)(F)F)c1)C(F)(F)C(F)F ZINC000794345163 1309507485 /nfs/dbraw/zinc/50/74/85/1309507485.db2.gz CDWTUWNLTXAQGT-UHFFFAOYSA-N -1 0 347.230 3.187 20 30 EGEDRM CC(C)n1nccc1/C=C(\C(=O)C(=O)[O-])c1ccc2ccccc2n1 ZINC000794931084 1309623966 /nfs/dbraw/zinc/62/39/66/1309623966.db2.gz JIHBHYDXIZQDBW-PTNGSMBKSA-N -1 0 335.363 3.207 20 30 EGEDRM CC(C)(C#N)c1ccc(C([O-])=C(C#N)C(=O)NCc2ccccc2)cc1 ZINC000796635350 1310052827 /nfs/dbraw/zinc/05/28/27/1310052827.db2.gz ZGBGNOPTKUHUKJ-GOSISDBHSA-N -1 0 345.402 3.127 20 30 EGEDRM N#CCCCS(=O)(=O)[N-]C(=O)C1(C2CCCCC2)CCCCC1 ZINC000796810519 1310092242 /nfs/dbraw/zinc/09/22/42/1310092242.db2.gz CCWMIENUASHTBR-UHFFFAOYSA-N -1 0 340.489 3.267 20 30 EGEDRM CC(C)Cc1cccc([C@H](C)C(=O)C(C#N)=C([O-])c2nccn2C)c1 ZINC000797161581 1310148898 /nfs/dbraw/zinc/14/88/98/1310148898.db2.gz FEAWCGDEAOCJLP-WMLDXEAASA-N -1 0 337.423 3.314 20 30 EGEDRM C=CCOC[C@@H](NC(=O)Nc1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000797733849 1310238837 /nfs/dbraw/zinc/23/88/37/1310238837.db2.gz BMALPBIHHYALGA-QGZVFWFLSA-N -1 0 340.379 3.131 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)Nc1cccc(-c2nc(C)c(C)o2)c1 ZINC000797740380 1310240401 /nfs/dbraw/zinc/24/04/01/1310240401.db2.gz RYQLHHRUJQKOEA-UHFFFAOYSA-N -1 0 329.356 3.063 20 30 EGEDRM O=C([O-])c1cc(NN=Cc2cc(C(F)(F)F)[nH]n2)ccc1Cl ZINC000799464924 1310556791 /nfs/dbraw/zinc/55/67/91/1310556791.db2.gz RMIDTFSHMHHNMW-UHFFFAOYSA-N -1 0 332.669 3.226 20 30 EGEDRM COc1ccc2c(c1OC)O/C(=C/c1cc(C(=O)[O-])cs1)C2=O ZINC000799500856 1310563210 /nfs/dbraw/zinc/56/32/10/1310563210.db2.gz JLCDACBNXAGYDF-WUXMJOGZSA-N -1 0 332.333 3.080 20 30 EGEDRM C=CCC(CC=C)C(=O)[N-]S(=O)(=O)Cc1cccc(Cl)c1 ZINC000799649406 1310595121 /nfs/dbraw/zinc/59/51/21/1310595121.db2.gz ZEBUYDQUHCINMB-UHFFFAOYSA-N -1 0 327.833 3.054 20 30 EGEDRM C=CCC1(C(=O)[N-]S(=O)(=O)Cc2c(F)cccc2Cl)CCC1 ZINC000839028923 1320852852 /nfs/dbraw/zinc/85/28/52/1320852852.db2.gz JRJOIEOZHJYZOR-UHFFFAOYSA-N -1 0 345.823 3.172 20 30 EGEDRM CCc1onc(C)c1/C=C/C(=O)c1ccc(OC)c(CC(=O)[O-])c1 ZINC000899342648 1316996586 /nfs/dbraw/zinc/99/65/86/1316996586.db2.gz BVGFUNKBWLTLFA-VOTSOKGWSA-N -1 0 329.352 3.077 20 30 EGEDRM CCc1onc(C)c1/C=C/C(=O)c1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000899351029 1316999648 /nfs/dbraw/zinc/99/96/48/1316999648.db2.gz XIGKCJJSNNQHIS-IDVQTMNDSA-N -1 0 329.352 3.293 20 30 EGEDRM C[C@H](Oc1cccc(/C=C/C(=O)c2cnn(C3CCC3)c2)c1)C(=O)[O-] ZINC000899407504 1317023029 /nfs/dbraw/zinc/02/30/29/1317023029.db2.gz SWBUXCFKAMJZMH-XEHSLEBBSA-N -1 0 340.379 3.356 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2sccc2Cl)n1 ZINC000803769370 1317154314 /nfs/dbraw/zinc/15/43/14/1317154314.db2.gz PWTJDWKGFVWPCJ-MRVPVSSYSA-N -1 0 340.813 3.200 20 30 EGEDRM C=CCSCCNC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000805047869 1317312693 /nfs/dbraw/zinc/31/26/93/1317312693.db2.gz DOSXVANWCXZCHO-UHFFFAOYSA-N -1 0 335.256 3.417 20 30 EGEDRM COC(=O)c1ccc(/C=C2\C[C@H](C(=O)[O-])c3ccccc3C2=O)cc1 ZINC000806559580 1317500961 /nfs/dbraw/zinc/50/09/61/1317500961.db2.gz CPLVWUBGUNQKQL-SHRNQRGKSA-N -1 0 336.343 3.311 20 30 EGEDRM Cc1ccc([N+](=O)[O-])cc1C(=O)/C=C/c1ccc(O)c(C(=O)[O-])c1 ZINC000809154355 1317775906 /nfs/dbraw/zinc/77/59/06/1317775906.db2.gz SYDFWABNOUHQCH-ZZXKWVIFSA-N -1 0 327.292 3.203 20 30 EGEDRM Cc1c(C(=O)/C=C\c2ccc(O)c(C(=O)[O-])c2)cccc1[N+](=O)[O-] ZINC000809157881 1317776764 /nfs/dbraw/zinc/77/67/64/1317776764.db2.gz ORDOFWUYWDHPKY-ALCCZGGFSA-N -1 0 327.292 3.203 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)/C(C)=C\c2ccccc2Cl)CC1 ZINC000810981111 1318085966 /nfs/dbraw/zinc/08/59/66/1318085966.db2.gz MHIGYRXDWIBEGK-QXMHVHEDSA-N -1 0 339.844 3.298 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2ccc(-c3ccco3)s2)CC1 ZINC000810983998 1318087008 /nfs/dbraw/zinc/08/70/08/1318087008.db2.gz OVDLLQXLRSREHN-UHFFFAOYSA-N -1 0 337.422 3.176 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)C[C@H](C)c2c[nH]c3ccccc32)CC1 ZINC000810988732 1318087320 /nfs/dbraw/zinc/08/73/20/1318087320.db2.gz PQVRVHVDDDPAAJ-ZDUSSCGKSA-N -1 0 346.452 3.216 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2oc3c(cccc3F)c2C)CC1 ZINC000810989057 1318087666 /nfs/dbraw/zinc/08/76/66/1318087666.db2.gz YNXOJYXJNKJUMU-UHFFFAOYSA-N -1 0 337.372 3.049 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000810987576 1318087893 /nfs/dbraw/zinc/08/78/93/1318087893.db2.gz QLJOSPOPFNCAMG-UHFFFAOYSA-N -1 0 335.469 3.081 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)CCc2ccc(C)s2)n1 ZINC000811254990 1318132670 /nfs/dbraw/zinc/13/26/70/1318132670.db2.gz XOJDUPROGDBMKY-ZDUSSCGKSA-N -1 0 348.449 3.174 20 30 EGEDRM N#CCc1cccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)n2)c1 ZINC000811827399 1318274437 /nfs/dbraw/zinc/27/44/37/1318274437.db2.gz XKMVMOUXQOOKKK-UHFFFAOYSA-N -1 0 342.207 3.255 20 30 EGEDRM Cc1cc(C)c(S(=O)(=O)[N-]c2cnc(Cl)cc2C#N)c(C)c1 ZINC000811830800 1318276433 /nfs/dbraw/zinc/27/64/33/1318276433.db2.gz GSUUMSYXZCIPKK-UHFFFAOYSA-N -1 0 335.816 3.333 20 30 EGEDRM O=C([O-])C1(c2ccccc2)CC(N=Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000814682859 1318799436 /nfs/dbraw/zinc/79/94/36/1318799436.db2.gz RWDVTGLIWMGLGS-UHFFFAOYSA-N -1 0 325.324 3.179 20 30 EGEDRM O=C([O-])c1ccc2c(c1)CCCC2=NNc1cccc([N+](=O)[O-])c1 ZINC000814694642 1318800950 /nfs/dbraw/zinc/80/09/50/1318800950.db2.gz SEENAOHMVFPHHY-UHFFFAOYSA-N -1 0 325.324 3.446 20 30 EGEDRM C[C@@H]1CC(=NNC(=S)N[C@@H]2CCC[C@H](C)[C@@H]2C)CC[C@H]1C(=O)[O-] ZINC000814758724 1318810779 /nfs/dbraw/zinc/81/07/79/1318810779.db2.gz GFFZZAXPSWOAPI-SZWZKDINSA-N -1 0 339.505 3.152 20 30 EGEDRM Cc1ccc([N+](=O)[O-])cc1N=NC1CC(C(=O)[O-])(c2ccccc2)C1 ZINC000814823472 1318825096 /nfs/dbraw/zinc/82/50/96/1318825096.db2.gz ZQFUCHLHJOKSOF-UHFFFAOYSA-N -1 0 339.351 3.488 20 30 EGEDRM Cc1cc(N=NC(C)CCc2ccc(O[C@H](C)C(=O)[O-])cc2)ncn1 ZINC000814846621 1318830273 /nfs/dbraw/zinc/83/02/73/1318830273.db2.gz VYFHXPDBCXNZCR-CQSZACIVSA-N -1 0 342.399 3.058 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1NN=C1COc2c1cccc2Cl ZINC000814887820 1318839766 /nfs/dbraw/zinc/83/97/66/1318839766.db2.gz YTLYQRUOQODQQH-UHFFFAOYSA-N -1 0 332.743 3.255 20 30 EGEDRM CC(CCc1ccc(OCC(=O)[O-])cc1)N=Nc1ncncc1Cl ZINC000814908824 1318845362 /nfs/dbraw/zinc/84/53/62/1318845362.db2.gz DFNSVFKYVGXOKP-UHFFFAOYSA-N -1 0 348.790 3.014 20 30 EGEDRM CC[C@H](NN=C(CSC)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000814936631 1318854235 /nfs/dbraw/zinc/85/42/35/1318854235.db2.gz COHJAYOWRHXAAD-NSHDSACASA-N -1 0 334.363 3.225 20 30 EGEDRM Cc1ccccc1COc1c(C)cc(C=NNCC(=O)[O-])cc1C ZINC000814960961 1318861329 /nfs/dbraw/zinc/86/13/29/1318861329.db2.gz ZTRLQYCHIOCMGA-UHFFFAOYSA-N -1 0 326.396 3.199 20 30 EGEDRM Cc1nc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)c2ccccn12 ZINC000914600929 1319354602 /nfs/dbraw/zinc/35/46/02/1319354602.db2.gz CTDFPBBYZZRMLT-UHFFFAOYSA-N -1 0 328.759 3.440 20 30 EGEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N/C[C@@H]2Cc3ccccc3O2)c1[O-] ZINC000914701263 1319365629 /nfs/dbraw/zinc/36/56/29/1319365629.db2.gz CNLVPXSKICIFHJ-VFJJTOLMSA-N -1 0 332.743 3.376 20 30 EGEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N\C[C@@H]2Cc3ccccc3O2)c1[O-] ZINC000914701264 1319365978 /nfs/dbraw/zinc/36/59/78/1319365978.db2.gz CNLVPXSKICIFHJ-WUQDTEKSSA-N -1 0 332.743 3.376 20 30 EGEDRM C[C@H]1CN(c2ccccc2C=[NH+][N-]c2ccc(C(=O)[O-])cc2)CCO1 ZINC000915933402 1319565624 /nfs/dbraw/zinc/56/56/24/1319565624.db2.gz JUWCTDCLYJRHJW-AWEZNQCLSA-N -1 0 339.395 3.056 20 30 EGEDRM COc1cc(C=NNc2ccccc2Cl)ccc1OCC(=O)[O-] ZINC000916262341 1319625708 /nfs/dbraw/zinc/62/57/08/1319625708.db2.gz IGPVSYGJHRJEBJ-UHFFFAOYSA-N -1 0 334.759 3.258 20 30 EGEDRM COc1cc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)cc2c1OCO2 ZINC000916259354 1319626294 /nfs/dbraw/zinc/62/62/94/1319626294.db2.gz HKAMJMWBTGDZOI-UHFFFAOYSA-N -1 0 348.742 3.222 20 30 EGEDRM CC(C)Oc1ccc(C([O-])=C(C#N)C(=O)NCc2ccccc2)cc1 ZINC000916886918 1319720621 /nfs/dbraw/zinc/72/06/21/1319720621.db2.gz QJJRHTCAUOTPGV-GOSISDBHSA-N -1 0 336.391 3.113 20 30 EGEDRM Cc1[nH]c(-c2ccccc2)nc1C([O-])=C(C#N)C(=O)Nc1ccccc1 ZINC000916900623 1319723815 /nfs/dbraw/zinc/72/38/15/1319723815.db2.gz SZVCRNOELBQOLQ-INIZCTEOSA-N -1 0 344.374 3.346 20 30 EGEDRM C=CCNC(=O)C(C#N)=C([O-])c1csc(-c2ccc(Cl)cc2)n1 ZINC000916917307 1319725099 /nfs/dbraw/zinc/72/50/99/1319725099.db2.gz IDWCRAMJHFZOMB-GFCCVEGCSA-N -1 0 345.811 3.088 20 30 EGEDRM Cc1cccc2sc(C([O-])=C(C#N)C(=O)NC3CC3)c(Cl)c21 ZINC000916930919 1319726108 /nfs/dbraw/zinc/72/61/08/1319726108.db2.gz KYUMNLLMQCRLKD-JTQLQIEISA-N -1 0 332.812 3.464 20 30 EGEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2cc3ccccc3o2)cc1 ZINC000917036646 1319741668 /nfs/dbraw/zinc/74/16/68/1319741668.db2.gz KMDMABIXXBVMIS-INIZCTEOSA-N -1 0 348.358 3.080 20 30 EGEDRM CC(=NN[C@H](C)c1ccncc1)c1cccc(OCCCC(=O)[O-])c1 ZINC000819818514 1319791368 /nfs/dbraw/zinc/79/13/68/1319791368.db2.gz MYVIEDYAMWJYPK-CQSZACIVSA-N -1 0 341.411 3.400 20 30 EGEDRM CCc1ccccc1-n1cc([O-])c(C(=O)N(CCC#N)CC(C)C)n1 ZINC000824234193 1320240298 /nfs/dbraw/zinc/24/02/98/1320240298.db2.gz FYIJLSRISQKANP-UHFFFAOYSA-N -1 0 340.427 3.152 20 30 EGEDRM C#CCCCCCC(=O)[N-]S(=O)(=O)c1ccc(Cl)c(C)c1 ZINC000847858594 1321907519 /nfs/dbraw/zinc/90/75/19/1321907519.db2.gz WDNCOGCEJVHCPJ-UHFFFAOYSA-N -1 0 327.833 3.037 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])C=Cc2cccc(F)c2)n1 ZINC000920327038 1322163638 /nfs/dbraw/zinc/16/36/38/1322163638.db2.gz HFPNKKSHAAQTMR-FWWRYZNZSA-N -1 0 344.367 3.349 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@@H](C)c2ccccc2C)n1 ZINC000923906232 1322843585 /nfs/dbraw/zinc/84/35/85/1322843585.db2.gz AIZJBTJRKCWGBM-ZFWWWQNUSA-N -1 0 342.420 3.283 20 30 EGEDRM COc1ccc(NN=C(C)c2cc(C(=O)[O-])ccc2OC(C)C)nc1 ZINC000853336174 1325082942 /nfs/dbraw/zinc/08/29/42/1325082942.db2.gz QQQQIGPFCJHGGQ-UHFFFAOYSA-N -1 0 343.383 3.412 20 30 EGEDRM C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)c1ccc([O-])c(Cl)c1 ZINC000854607755 1325283229 /nfs/dbraw/zinc/28/32/29/1325283229.db2.gz RAFQPXZUJAISCX-NSHDSACASA-N -1 0 325.792 3.016 20 30 EGEDRM C=CCn1c(=O)c2ccc(C(=O)N(CC)[C@@H](C)CC)cc2[n-]c1=S ZINC000855149346 1325357100 /nfs/dbraw/zinc/35/71/00/1325357100.db2.gz ZFXMQEIAOFRTAX-LBPRGKRZSA-N -1 0 345.468 3.132 20 30 EGEDRM [NH2+]=C(NC([O-])=Cc1ccc([S-])cc1)c1ccc2cc(O)ccc2c1 ZINC001183189623 1387275223 /nfs/dbraw/zinc/27/52/23/1387275223.db2.gz LPFZQVTXNVOSHG-UHFFFAOYSA-N -1 0 336.416 3.309 20 30 EGEDRM O=C(CCC(=O)C1=CC=C[CH]1)Nc1ccc2ncnc(Cl)c2c1 ZINC001184243936 1387418486 /nfs/dbraw/zinc/41/84/86/1387418486.db2.gz LCDNESILOIQQCF-UHFFFAOYSA-N -1 0 326.763 3.271 20 30 EGEDRM N#Cc1ccc(Cl)cc1[N-]S(=O)(=O)Cc1cc(F)cc(F)c1 ZINC001185134110 1387624980 /nfs/dbraw/zinc/62/49/80/1387624980.db2.gz LPEOAQDSUGTAQT-UHFFFAOYSA-N -1 0 342.754 3.432 20 30 EGEDRM Cc1oc([N-]S(=O)(=O)c2ccc(-c3cnco3)cc2)c(C#N)c1C ZINC001185190749 1387641890 /nfs/dbraw/zinc/64/18/90/1387641890.db2.gz DHRJWMLSOZTKFN-UHFFFAOYSA-N -1 0 343.364 3.224 20 30 EGEDRM Cc1cccc([N-]S(=O)(=O)c2ccc(-c3cnco3)cc2)c1C#N ZINC001185221967 1387656053 /nfs/dbraw/zinc/65/60/53/1387656053.db2.gz MPOBCXGOHZLKMK-UHFFFAOYSA-N -1 0 339.376 3.323 20 30 EGEDRM C=C(C)c1ccccc1NS(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC001185312029 1387679675 /nfs/dbraw/zinc/67/96/75/1387679675.db2.gz HSPQTVLHGJKEOE-UHFFFAOYSA-N -1 0 347.392 3.227 20 30 EGEDRM Cc1coc([N-]S(=O)(=O)c2cc(F)cc(C(F)(F)F)c2)c1C#N ZINC001189958849 1367140332 /nfs/dbraw/zinc/14/03/32/1367140332.db2.gz LAYXQTHRIOFSFD-UHFFFAOYSA-N -1 0 348.277 3.418 20 30 EGEDRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ncc(C#N)nc2C)cc1 ZINC001190424375 1367261631 /nfs/dbraw/zinc/26/16/31/1367261631.db2.gz YZEFUBNVEQEBSF-UHFFFAOYSA-N -1 0 344.440 3.145 20 30 EGEDRM N#Cc1ccc(Cl)nc1[N-]S(=O)(=O)c1ccc(C2CC2)cc1 ZINC001190469717 1367272308 /nfs/dbraw/zinc/27/23/08/1367272308.db2.gz QTEJWKIELHEVJX-UHFFFAOYSA-N -1 0 333.800 3.285 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cnc3ccsc3c2)c1 ZINC001190619354 1367309624 /nfs/dbraw/zinc/30/96/24/1367309624.db2.gz ITHLAKFMMRUODY-UHFFFAOYSA-N -1 0 333.369 3.108 20 30 EGEDRM CC(C)c1ncsc1[N-]S(=O)(=O)c1cc(C#N)ccc1F ZINC001190625600 1367311866 /nfs/dbraw/zinc/31/18/66/1367311866.db2.gz DURAZUDBSPNBTB-UHFFFAOYSA-N -1 0 325.390 3.078 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2ccccc2-c2cnco2)c1 ZINC001190650938 1367316770 /nfs/dbraw/zinc/31/67/70/1367316770.db2.gz PDODZUFPHQUJNU-UHFFFAOYSA-N -1 0 343.339 3.153 20 30 EGEDRM Cc1cc(C#N)c([N-]S(=O)(=O)c2cc(C#N)ccc2F)cc1Cl ZINC001190657804 1367321365 /nfs/dbraw/zinc/32/13/65/1367321365.db2.gz KWBNCBFAJWFQSA-UHFFFAOYSA-N -1 0 349.774 3.332 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-][C@H](c2ccc(OC)cc2)C(F)(F)F)CC1 ZINC001190824533 1367360838 /nfs/dbraw/zinc/36/08/38/1367360838.db2.gz OQTFUXWCXAFUBC-CYBMUJFWSA-N -1 0 349.374 3.327 20 30 EGEDRM N#Cc1c2c(sc1[N-]C(=O)c1cc(Br)no1)CCC2 ZINC001191328972 1367477242 /nfs/dbraw/zinc/47/72/42/1367477242.db2.gz LZAAWQFQTXXVBZ-UHFFFAOYSA-N -1 0 338.186 3.111 20 30 EGEDRM O=C(NC1=C(Cl)C(=O)c2ccccc2C1=O)c1cccc([S-])c1 ZINC001186155326 1387883602 /nfs/dbraw/zinc/88/36/02/1387883602.db2.gz ABHJBRDZUALWLU-UHFFFAOYSA-N -1 0 343.791 3.235 20 30 EGEDRM C=CCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc([S-])c1 ZINC001186157053 1387884425 /nfs/dbraw/zinc/88/44/25/1387884425.db2.gz UUPNUWDSDVWINJ-KRWDZBQOSA-N -1 0 341.432 3.046 20 30 EGEDRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1cc(C#N)ccc1OC ZINC001191829218 1367605229 /nfs/dbraw/zinc/60/52/29/1367605229.db2.gz XCVYNWYTIVTACP-UHFFFAOYSA-N -1 0 346.408 3.075 20 30 EGEDRM N#Cc1ccc(NS(=O)(=O)Cc2ccc(Cl)cc2F)c(F)c1 ZINC001191898677 1367629703 /nfs/dbraw/zinc/62/97/03/1367629703.db2.gz XJAZANBTFQPEEH-UHFFFAOYSA-N -1 0 342.754 3.432 20 30 EGEDRM CC(C)(C)c1ccc(C(=O)Nc2cc(C#N)c(C#N)cc2N)c([O-])c1 ZINC001192323028 1367751226 /nfs/dbraw/zinc/75/12/26/1367751226.db2.gz XEMUDNXGXNVAJW-UHFFFAOYSA-N -1 0 334.379 3.268 20 30 EGEDRM N#Cc1ncc(NC(=O)c2ccc([O-])c(F)c2F)cc1C(F)(F)F ZINC001192826526 1367883123 /nfs/dbraw/zinc/88/31/23/1367883123.db2.gz CBXGWXCXTSWWQY-UHFFFAOYSA-N -1 0 343.211 3.208 20 30 EGEDRM N#Cc1cc(NC(=O)[C@H]2CC(=O)c3cc(Cl)ccc32)c([O-])cc1F ZINC001186251250 1387906641 /nfs/dbraw/zinc/90/66/41/1387906641.db2.gz IQOSOYIUTVSLBC-LBPRGKRZSA-N -1 0 344.729 3.365 20 30 EGEDRM CCc1c(C)nc2sc(C#N)c([N-]S(=O)(=O)[C@H](C)C#N)c2c1C ZINC001193113098 1367948009 /nfs/dbraw/zinc/94/80/09/1367948009.db2.gz ZKDLZUSQLUVSHE-MRVPVSSYSA-N -1 0 348.453 3.001 20 30 EGEDRM N#Cc1c(NC(=O)c2ccc(O)c([O-])c2Cl)sc2c1CCC2 ZINC001193210127 1367967453 /nfs/dbraw/zinc/96/74/53/1367967453.db2.gz UWLVSFVUYCWGCP-UHFFFAOYSA-N -1 0 334.784 3.425 20 30 EGEDRM Cc1cnn(-c2ccc(C)cc2)c1NC(=O)c1ccc([O-])c(C#N)c1 ZINC001193498247 1368045770 /nfs/dbraw/zinc/04/57/70/1368045770.db2.gz JLYNKSWFKVVCDP-UHFFFAOYSA-N -1 0 332.363 3.319 20 30 EGEDRM CCCc1ccc([N-]S(=O)(=O)c2cc(OC)ccc2C#N)cc1 ZINC001193636669 1368080394 /nfs/dbraw/zinc/08/03/94/1368080394.db2.gz XDWZDGMTILSTCX-UHFFFAOYSA-N -1 0 330.409 3.320 20 30 EGEDRM N#Cc1cccc(C(=O)Nc2cn3cc(C(F)(F)F)ccc3n2)c1[O-] ZINC001193642658 1368081749 /nfs/dbraw/zinc/08/17/49/1368081749.db2.gz LUDYISBLQFYDGH-UHFFFAOYSA-N -1 0 346.268 3.183 20 30 EGEDRM C[C@H](NC(=O)c1cccc(C#N)c1[O-])c1nc(-c2ccccc2)c[nH]1 ZINC001193657688 1368086522 /nfs/dbraw/zinc/08/65/22/1368086522.db2.gz BJSRTMMHHUTVCS-LBPRGKRZSA-N -1 0 332.363 3.145 20 30 EGEDRM COc1ccc(CNC(=O)c2cccc(C#N)c2[O-])c2ccccc12 ZINC001193659856 1368086916 /nfs/dbraw/zinc/08/69/16/1368086916.db2.gz RFKFFWWVBROFPP-UHFFFAOYSA-N -1 0 332.359 3.356 20 30 EGEDRM Cc1coc([N-]S(=O)(=O)c2cccc3c(Cl)nccc32)c1C#N ZINC001194465390 1368268772 /nfs/dbraw/zinc/26/87/72/1368268772.db2.gz IOYVLVMQJGOMQB-UHFFFAOYSA-N -1 0 347.783 3.462 20 30 EGEDRM COc1c(Cl)c(Cl)sc1C(=O)[N-]c1onc(C)c1C#N ZINC001194547117 1368283459 /nfs/dbraw/zinc/28/34/59/1368283459.db2.gz LUTMHRWXBYEEPT-UHFFFAOYSA-N -1 0 332.168 3.484 20 30 EGEDRM COc1cc(C#N)c(F)cc1[N-]S(=O)(=O)c1c(C)cccc1C ZINC001194645222 1368302100 /nfs/dbraw/zinc/30/21/00/1368302100.db2.gz ZZUBETFGKVCXJA-UHFFFAOYSA-N -1 0 334.372 3.124 20 30 EGEDRM C[C@]1(CF)CC(F)(F)CN1C(=O)c1c([O-])c(F)c(F)c(F)c1F ZINC001195291439 1368415251 /nfs/dbraw/zinc/41/52/51/1368415251.db2.gz XQZRZGPEGUDWDT-GFCCVEGCSA-N -1 0 345.214 3.158 20 30 EGEDRM Cc1oc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)c(C#N)c1C ZINC001196647576 1368655555 /nfs/dbraw/zinc/65/55/55/1368655555.db2.gz IMVMXCCDPOGKII-UHFFFAOYSA-N -1 0 335.772 3.094 20 30 EGEDRM COc1cc(C)c(S(=O)(=O)[N-]c2c(C)cccc2C#N)c(C)c1 ZINC001196878781 1368704570 /nfs/dbraw/zinc/70/45/70/1368704570.db2.gz AOXJIGYPEXIPCG-UHFFFAOYSA-N -1 0 330.409 3.293 20 30 EGEDRM N#Cc1ccc(F)c(F)c1[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC001197608572 1368853827 /nfs/dbraw/zinc/85/38/27/1368853827.db2.gz ULSJGFDKCCADBN-UHFFFAOYSA-N -1 0 344.289 3.057 20 30 EGEDRM C#Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)ccn1 ZINC001200038998 1369306177 /nfs/dbraw/zinc/30/61/77/1369306177.db2.gz KKXGLLUUHQECIL-UHFFFAOYSA-N -1 0 342.807 3.092 20 30 EGEDRM Cc1cccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)nc2)c1F ZINC001200676756 1369411152 /nfs/dbraw/zinc/41/11/52/1369411152.db2.gz WWPCJQXSCYMKSR-UHFFFAOYSA-N -1 0 333.388 3.131 20 30 EGEDRM COc1ccc(NC(=S)Nc2cc(C#N)c(F)cc2[O-])cc1OC ZINC001201065342 1369474785 /nfs/dbraw/zinc/47/47/85/1369474785.db2.gz LXZYYMYRCXYOTC-UHFFFAOYSA-N -1 0 347.371 3.229 20 30 EGEDRM CC(C)(C#N)c1ccc(NC(=O)c2cc(F)c(F)c([O-])c2F)cn1 ZINC001186770291 1388006973 /nfs/dbraw/zinc/00/69/73/1388006973.db2.gz FGDYQDJWEMXZMO-UHFFFAOYSA-N -1 0 335.285 3.258 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2cnccc2C2CCC2)cc1C#N ZINC001201295083 1369513100 /nfs/dbraw/zinc/51/31/00/1369513100.db2.gz KORWFILVVZOKQI-UHFFFAOYSA-N -1 0 327.409 3.330 20 30 EGEDRM Cc1nc(C#N)c([N-]S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)o1 ZINC001201792898 1369624213 /nfs/dbraw/zinc/62/42/13/1369624213.db2.gz VRGGOSYNVFMIPJ-UHFFFAOYSA-N -1 0 333.413 3.198 20 30 EGEDRM COc1cc(C#N)c(Nc2cc(F)c(C(=O)[O-])c(F)c2)cc1OC ZINC001203324366 1370082668 /nfs/dbraw/zinc/08/26/68/1370082668.db2.gz IBULIJTUPKLPGC-UHFFFAOYSA-N -1 0 334.278 3.295 20 30 EGEDRM N#Cc1ccccc1O[C@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2)C1 ZINC001204157048 1370392895 /nfs/dbraw/zinc/39/28/95/1370392895.db2.gz PWPZXLXDTKLRLE-SFHVURJKSA-N -1 0 336.391 3.300 20 30 EGEDRM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ccc(C#N)cn1 ZINC001116148293 1370847775 /nfs/dbraw/zinc/84/77/75/1370847775.db2.gz ZRQLQBAOTGTABI-UHFFFAOYSA-N -1 0 329.425 3.360 20 30 EGEDRM Cc1oncc1S(=O)(=O)[N-]c1cccc(C#C[Si](C)(C)C)c1 ZINC001187382838 1388102023 /nfs/dbraw/zinc/10/20/23/1388102023.db2.gz MWUZARDWSRMPAF-UHFFFAOYSA-N -1 0 334.473 3.013 20 30 EGEDRM C=CC[C@H](NC(=O)c1ccccc1OCc1ccc(F)cc1)C(=O)[O-] ZINC001116906782 1370998090 /nfs/dbraw/zinc/99/80/90/1370998090.db2.gz UJIFCGXPWUVLMF-INIZCTEOSA-N -1 0 343.354 3.164 20 30 EGEDRM CC(=NN[C@H]1CCCSC1)c1cccc(OCCCC(=O)[O-])c1 ZINC001119362508 1371321944 /nfs/dbraw/zinc/32/19/44/1371321944.db2.gz FDKXDVTXXMCOHU-HNNXBMFYSA-N -1 0 336.457 3.139 20 30 EGEDRM C=CCC[C@H](NC(=O)N[C@H](CC(F)(F)F)C(=O)[O-])c1ccccc1 ZINC001119714468 1371392973 /nfs/dbraw/zinc/39/29/73/1371392973.db2.gz BNIBIAFIUSVPAC-QWHCGFSZSA-N -1 0 344.333 3.399 20 30 EGEDRM N#CC(C(=O)Nc1ccccc1)=C([O-])c1oc(C2CC2)nc1C(F)F ZINC001122448743 1372249862 /nfs/dbraw/zinc/24/98/62/1372249862.db2.gz QDFTXPAONFGCET-NSHDSACASA-N -1 0 345.305 3.451 20 30 EGEDRM N#Cc1sccc1[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC001187931795 1388192498 /nfs/dbraw/zinc/19/24/98/1388192498.db2.gz ALIRSYSPNSHSNW-UHFFFAOYSA-N -1 0 334.209 3.122 20 30 EGEDRM Cc1ccc(-n2ncc(C#N)c2Nc2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC001210393035 1372341128 /nfs/dbraw/zinc/34/11/28/1372341128.db2.gz LVZXSBYWEBJTHI-UHFFFAOYSA-N -1 0 335.323 3.410 20 30 EGEDRM COC(=O)c1sc(Nc2ccc([O-])c([N+](=O)[O-])c2)c(C#N)c1C ZINC001210393392 1372341296 /nfs/dbraw/zinc/34/12/96/1372341296.db2.gz RZDVTMKLSWNVGT-UHFFFAOYSA-N -1 0 333.325 3.072 20 30 EGEDRM C[C@@H]1CC(=O)C=C(Nc2ccc3c(cccc3S(=O)(=O)[O-])c2)C1 ZINC001210773026 1372424224 /nfs/dbraw/zinc/42/42/24/1372424224.db2.gz QKKAUTAAVKHJSM-NSHDSACASA-N -1 0 331.393 3.381 20 30 EGEDRM CCOC(=O)c1c(C)oc(Nc2cccc(C(=O)[O-])c2OC)c1C#N ZINC001211032936 1372473978 /nfs/dbraw/zinc/47/39/78/1372473978.db2.gz HLQFOKJLFINZSF-UHFFFAOYSA-N -1 0 344.323 3.087 20 30 EGEDRM COc1c(Nc2c(C#N)cnn2-c2ccccc2)cccc1C(=O)[O-] ZINC001211034062 1372473992 /nfs/dbraw/zinc/47/39/92/1372473992.db2.gz RZYQZRMCCRAKNW-UHFFFAOYSA-N -1 0 334.335 3.194 20 30 EGEDRM COc1c(Nc2ccc(C#N)nc2Br)cccc1C(=O)[O-] ZINC001211034255 1372474163 /nfs/dbraw/zinc/47/41/63/1372474163.db2.gz WHHDBICQUNWEMX-UHFFFAOYSA-N -1 0 348.156 3.166 20 30 EGEDRM COC(=O)c1sc(Nc2ccc(C(=O)[O-])cc2C)c(C#N)c1C ZINC001211616819 1372590847 /nfs/dbraw/zinc/59/08/47/1372590847.db2.gz YFRIQLMJMMECLO-UHFFFAOYSA-N -1 0 330.365 3.465 20 30 EGEDRM N#CCOc1ccccc1Nc1ccc(S(=O)(=O)[O-])cc1Cl ZINC001212602472 1372736213 /nfs/dbraw/zinc/73/62/13/1372736213.db2.gz BHLGDAPFTBMNLA-UHFFFAOYSA-N -1 0 338.772 3.233 20 30 EGEDRM N#Cc1c(F)cc(F)cc1Nc1ccc(NC(=O)CCC(=O)[O-])cc1 ZINC001213196845 1372857477 /nfs/dbraw/zinc/85/74/77/1372857477.db2.gz UNRXYBOARRIMRD-UHFFFAOYSA-N -1 0 345.305 3.383 20 30 EGEDRM Cc1nc(Nc2cc(C(=O)[O-])c(Cl)cc2F)c(C#N)cc1C#N ZINC001214738849 1373112151 /nfs/dbraw/zinc/11/21/51/1373112151.db2.gz VMXXEMHHAGBAPO-UHFFFAOYSA-N -1 0 330.706 3.368 20 30 EGEDRM COC(=O)c1cc(C#N)cc(C)c1Nc1ccc(F)c(C(=O)[O-])c1F ZINC001215285535 1373194386 /nfs/dbraw/zinc/19/43/86/1373194386.db2.gz PDODZJZNMXWADY-UHFFFAOYSA-N -1 0 346.289 3.373 20 30 EGEDRM N#Cc1cccc(Nc2ccc(S(=O)(=O)[O-])cc2Cl)c1F ZINC001216416853 1373306178 /nfs/dbraw/zinc/30/61/78/1373306178.db2.gz CGPDNTCQUNNMIJ-UHFFFAOYSA-N -1 0 326.736 3.341 20 30 EGEDRM COc1c(F)cc(F)cc1-c1noc(-c2ccc(C#N)cc2[O-])n1 ZINC001217038487 1373381408 /nfs/dbraw/zinc/38/14/08/1373381408.db2.gz ACTFBZIEYQIESR-UHFFFAOYSA-N -1 0 329.262 3.268 20 30 EGEDRM N#Cc1ccc(-c2nc(-c3cc(C(F)(F)F)ccn3)no2)c([O-])c1 ZINC001217039295 1373381756 /nfs/dbraw/zinc/38/17/56/1373381756.db2.gz QIEKEZXMBRTXLW-UHFFFAOYSA-N -1 0 332.241 3.395 20 30 EGEDRM [O-]/N=C(\OC[C@@H]1COc2cscc2O1)c1ccc(Cl)cc1 ZINC001223594582 1375039796 /nfs/dbraw/zinc/03/97/96/1375039796.db2.gz XZYNLRNIXJIKBO-NLPIWRNCSA-N -1 0 325.773 3.394 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)Nc2ccc3occc3c2)cc1C#N ZINC001132489637 1375421549 /nfs/dbraw/zinc/42/15/49/1375421549.db2.gz IBJPKDJXIXQDCZ-UHFFFAOYSA-N -1 0 325.349 3.379 20 30 EGEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ccc(-c2ccccc2)cc1 ZINC001227409673 1375427424 /nfs/dbraw/zinc/42/74/24/1375427424.db2.gz MLFUWJIBXPZGTQ-SFHVURJKSA-N -1 0 348.420 3.191 20 30 EGEDRM C=C[C@H](CCCC)Oc1c([O-])c(C(=O)OCC)oc1C(=O)OCC ZINC001227638225 1375458522 /nfs/dbraw/zinc/45/85/22/1375458522.db2.gz RXFUGXDVQBBUIW-LLVKDONJSA-N -1 0 340.372 3.462 20 30 EGEDRM C[C@@H](Oc1[n-]c(=O)ccc1C#N)c1c(F)c(F)c(F)c(F)c1F ZINC001228898095 1375709320 /nfs/dbraw/zinc/70/93/20/1375709320.db2.gz BVCOQIRHQJMMNF-RXMQYKEDSA-N -1 0 330.212 3.494 20 30 EGEDRM Cc1ccnc(C#N)c1[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC001258836650 1377119414 /nfs/dbraw/zinc/11/94/14/1377119414.db2.gz INMYLGBLICYONP-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM N#CC1(c2ccccc2F)CCN(Cc2ccc(C(=O)[O-])o2)CC1 ZINC001140948763 1378188533 /nfs/dbraw/zinc/18/85/33/1378188533.db2.gz ZFFOVEPTQXGYNA-UHFFFAOYSA-N -1 0 328.343 3.174 20 30 EGEDRM N#Cc1cccc2[nH]nc(NC(=O)c3ccc(C(F)(F)F)cc3[O-])c21 ZINC001148795126 1379269207 /nfs/dbraw/zinc/26/92/07/1379269207.db2.gz VKQPPUBCAKZHNY-UHFFFAOYSA-N -1 0 346.268 3.411 20 30 EGEDRM C[C@@H](CC1CCCCC1)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC001309467204 1384183011 /nfs/dbraw/zinc/18/30/11/1384183011.db2.gz WSLPGBZVTOPFGC-NSHDSACASA-N -1 0 342.411 3.474 20 30 EGEDRM N#Cc1ccc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c2cccnc12 ZINC001174506042 1385114806 /nfs/dbraw/zinc/11/48/06/1385114806.db2.gz ZUCMGIQPWRZRDN-UHFFFAOYSA-N -1 0 334.291 3.456 20 30 EGEDRM COc1cc(Nc2cccc(C#CC(C)(C)O)c2)ccc1C(=O)[O-] ZINC001174686780 1385134401 /nfs/dbraw/zinc/13/44/01/1385134401.db2.gz UQFCPSKSQNHARO-UHFFFAOYSA-N -1 0 325.364 3.259 20 30 EGEDRM N#Cc1cnn(-c2ccc(F)cc2)c1Nc1ccc(C(=O)[O-])s1 ZINC001174804758 1385151240 /nfs/dbraw/zinc/15/12/40/1385151240.db2.gz BTASZDPBVVXOOJ-UHFFFAOYSA-N -1 0 328.328 3.386 20 30 EGEDRM COC(=O)NC(=S)N(c1cc(F)cc(C#N)c1)c1ccccc1N ZINC001175687287 1385374328 /nfs/dbraw/zinc/37/43/28/1385374328.db2.gz IRMIWXBOGCYNEE-UHFFFAOYSA-N -1 0 344.371 3.059 20 30 EGEDRM C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H](CC=C)C(=O)[O-] ZINC001321167387 1386828137 /nfs/dbraw/zinc/82/81/37/1386828137.db2.gz VZEGXAFVYWKBAR-LBPRGKRZSA-N -1 0 343.301 3.029 20 30 EGEDRM C=CC[C@H](NC(=O)c1cc(Cl)ccc1OC1CCCC1)C(=O)[O-] ZINC001321337681 1386879586 /nfs/dbraw/zinc/87/95/86/1386879586.db2.gz DGBBIZOAKSJGIT-AWEZNQCLSA-N -1 0 337.803 3.421 20 30 EGEDRM COc1ccc2c(c1)CC[C@@H]2C(=O)Nc1cc(C#N)c(F)cc1[O-] ZINC001182448394 1387168536 /nfs/dbraw/zinc/16/85/36/1387168536.db2.gz HDXDCWSZWYIDMH-AWEZNQCLSA-N -1 0 326.327 3.080 20 30 EGEDRM C=CC[C@@H](NC(=O)[C@@H](C)Cc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC001322603054 1387212463 /nfs/dbraw/zinc/21/24/63/1387212463.db2.gz VSGIEEXXFJUAHW-GXFFZTMASA-N -1 0 329.318 3.030 20 30 EGEDRM CSc1ccc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)cc1 ZINC001343272052 1390704109 /nfs/dbraw/zinc/70/41/09/1390704109.db2.gz GTZZKZDYTMRVNA-AWEZNQCLSA-N -1 0 334.404 3.424 20 30 EGEDRM N#CC(=C([O-])c1cn2c(n1)CCCC2)c1nc2cc(F)ccc2s1 ZINC001343470648 1390716215 /nfs/dbraw/zinc/71/62/15/1390716215.db2.gz PJMKYYTYAFUAJL-NSHDSACASA-N -1 0 340.383 3.458 20 30 EGEDRM C=CCC[C@@H]1CCCN1C(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC001346349065 1390924371 /nfs/dbraw/zinc/92/43/71/1390924371.db2.gz HCUBALIYFYKZAJ-MRXNPFEDSA-N -1 0 331.412 3.338 20 30 EGEDRM C=CC[C@H](NC(=O)C(C)(C)c1ccc(OC(F)(F)F)cc1)C(=O)[O-] ZINC001347840107 1391133117 /nfs/dbraw/zinc/13/31/17/1391133117.db2.gz NWFQCWDPGYQEFW-LBPRGKRZSA-N -1 0 345.317 3.008 20 30 EGEDRM CC(=NNc1ccccc1Cl)c1ccc(-c2nn[n-]n2)cc1F ZINC000823962259 1426922549 /nfs/dbraw/zinc/92/25/49/1426922549.db2.gz IJVWLXPDICJUIT-UHFFFAOYSA-N -1 0 330.754 3.495 20 30 EGEDRM COc1ccc(CNc2c(Cl)cccc2-c2nn[n-]n2)cc1C#N ZINC000826203245 1428765172 /nfs/dbraw/zinc/76/51/72/1428765172.db2.gz GNXKHTVUKUXDKT-UHFFFAOYSA-N -1 0 340.774 3.012 20 30 EGEDRM C=CCN(Cc1cccs1)Cc1cccc(-c2nn[n-]n2)c1F ZINC000823919929 1428874108 /nfs/dbraw/zinc/87/41/08/1428874108.db2.gz SGQJESWMOKSDAA-UHFFFAOYSA-N -1 0 329.404 3.256 20 30 EGEDRM CC1=CCC[C@H](C)[C@H]1CN=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000824852886 1429019404 /nfs/dbraw/zinc/01/94/04/1429019404.db2.gz SSNQZWXMKTZTDD-JQWIXIFHSA-N -1 0 331.811 3.305 20 30 EGEDRM C[C@@H]1c2c(c(O)ccc2F)C(=O)C1=Cc1ccc(-c2nn[n-]n2)s1 ZINC000820642377 1429421718 /nfs/dbraw/zinc/42/17/18/1429421718.db2.gz IFFAUICIUHLRQY-QCCBYXMRSA-N -1 0 342.355 3.156 20 30 EGEDRM CC1(C)Cc2cc(C=CC(=O)c3cccc(-c4nn[n-]n4)c3)ccc2O1 ZINC000736212804 1429535516 /nfs/dbraw/zinc/53/55/16/1429535516.db2.gz BGZGBAHWAWWSAA-VURMDHGXSA-N -1 0 346.390 3.476 20 30 EGEDRM C[C@@H](NN=Cc1c[nH]c2ccc(-c3nn[n-]n3)cc12)c1ccccc1 ZINC000820438026 1429578251 /nfs/dbraw/zinc/57/82/51/1429578251.db2.gz GLLJKBHXEBMDBS-GFCCVEGCSA-N -1 0 331.383 3.033 20 30 EGEDRM O=C1c2cc(Cl)ccc2CC1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826476024 1423740087 /nfs/dbraw/zinc/74/00/87/1423740087.db2.gz ZCIAYDJXGNFLFL-WZUFQYTHSA-N -1 0 340.745 3.482 20 30 EGEDRM CC[N@H+](CC#Cc1ccc(F)cc1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825396036 1424212491 /nfs/dbraw/zinc/21/24/91/1424212491.db2.gz ZUSRMORVCXEBAW-HNNXBMFYSA-N -1 0 349.413 3.440 20 30 EGEDRM Cc1ccsc1C=CC(=O)c1c(C)n2c(c1-c1nn[n-]n1)CCC2 ZINC000737443022 1425706355 /nfs/dbraw/zinc/70/63/55/1425706355.db2.gz SVOAKBYPVDVEGU-AATRIKPKSA-N -1 0 339.424 3.189 20 30 EGEDRM N#Cc1ccc(Sc2ccc(-c3nn[n-]n3)cn2)cc1C(F)(F)F ZINC000826385893 1425800619 /nfs/dbraw/zinc/80/06/19/1425800619.db2.gz GMTKHRKUDUAPFD-UHFFFAOYSA-N -1 0 348.313 3.303 20 30 EGEDRM C=CCN(CCc1ccco1)c1ncc(Cl)c(C)c1-c1nn[n-]n1 ZINC000823910218 1426324714 /nfs/dbraw/zinc/32/47/14/1426324714.db2.gz ZJCFWNUPVYPRNW-UHFFFAOYSA-N -1 0 344.806 3.052 20 30 EGEDRM C=CC[C@@H](C)NC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000823887992 1426548121 /nfs/dbraw/zinc/54/81/21/1426548121.db2.gz CPFZLNHOEGQMHC-CYBMUJFWSA-N -1 0 349.394 3.353 20 30 EGEDRM CCCCCC[C@@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000736448532 1426679250 /nfs/dbraw/zinc/67/92/50/1426679250.db2.gz ZPJPTSQVYMCLRO-GFCCVEGCSA-N -1 0 326.404 3.283 20 30 EGEDRM COc1ccc2[nH]cc(C(=O)C=Cc3cccc(-c4nn[n-]n4)c3)c2c1 ZINC000737113706 1426694611 /nfs/dbraw/zinc/69/46/11/1426694611.db2.gz FFOBFAPBFQQVCP-YVMONPNESA-N -1 0 345.362 3.253 20 30 EGEDRM N#Cc1ccc(C2=CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)cc1 ZINC000826384882 1429978255 /nfs/dbraw/zinc/97/82/55/1429978255.db2.gz NGBTXFISCZAHRG-UHFFFAOYSA-N -1 0 346.369 3.171 20 30 EGEDRM CC(CCc1n[nH]c2ccccc21)N=Nc1cccc(-c2nn[n-]n2)c1 ZINC000824413363 1430208661 /nfs/dbraw/zinc/20/86/61/1430208661.db2.gz LAVHRONQICGLFU-UHFFFAOYSA-N -1 0 346.398 3.164 20 30 EGEDRM CC(=NNc1ccc(F)cc1C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823958835 1441540314 /nfs/dbraw/zinc/54/03/14/1441540314.db2.gz YOKBLCUGXVMGMZ-UHFFFAOYSA-N -1 0 328.326 3.289 20 30 EGEDRM O=C(C=Cc1cc(F)c(F)cc1F)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826400259 1441722907 /nfs/dbraw/zinc/72/29/07/1441722907.db2.gz UGCRKSJHSLPQMD-DUXPYHPUSA-N -1 0 348.259 3.319 20 30 EGEDRM C(=NNCc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCCc2ccccc21 ZINC000819718696 1441766578 /nfs/dbraw/zinc/76/65/78/1441766578.db2.gz NTIKBIHTEYPKSS-KRWDZBQOSA-N -1 0 332.411 3.062 20 30 EGEDRM C=CCN(C(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1)C1CC1 ZINC000823903966 1441849687 /nfs/dbraw/zinc/84/96/87/1441849687.db2.gz PJIHJBWLFMOKSB-UHFFFAOYSA-N -1 0 345.406 3.324 20 30 EGEDRM O=C(C=Cc1cc(F)c(F)cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000822922010 1441858173 /nfs/dbraw/zinc/85/81/73/1441858173.db2.gz BUVBGHVCEXMHGD-WAYWQWQTSA-N -1 0 330.269 3.180 20 30 EGEDRM O=C1c2ccc(F)cc2OCCC1=Cc1cccc(-c2nn[n-]n2)c1 ZINC000826476053 1441885643 /nfs/dbraw/zinc/88/56/43/1441885643.db2.gz ZTVVIHFZTBLPGB-XYOKQWHBSA-N -1 0 336.326 3.055 20 30 EGEDRM CCCCc1nc(Cl)c(C=NNc2ccc(-c3nn[n-]n3)cc2)[nH]1 ZINC000825296441 1441902454 /nfs/dbraw/zinc/90/24/54/1441902454.db2.gz IZNMZDIIEAZELU-UHFFFAOYSA-N -1 0 344.810 3.032 20 30 EGEDRM O=C1C(=Cc2ccc(-c3nn[n-]n3)s2)Cc2c1c(F)ccc2F ZINC000826475512 1442148943 /nfs/dbraw/zinc/14/89/43/1442148943.db2.gz IHWHAUKCHHLQIH-ALCCZGGFSA-N -1 0 330.319 3.029 20 30 EGEDRM N#Cc1ccc(SCCOc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000737723582 1442206663 /nfs/dbraw/zinc/20/66/63/1442206663.db2.gz XMEKWTZIJLOZTO-UHFFFAOYSA-N -1 0 341.371 3.049 20 30 EGEDRM Fc1cccc(F)c1N=NCc1c[nH]c2ccc(-c3nn[n-]n3)cc12 ZINC000822790979 1442350268 /nfs/dbraw/zinc/35/02/68/1442350268.db2.gz CIMCISMNBWAOLI-UHFFFAOYSA-N -1 0 339.309 3.072 20 30 EGEDRM N#C[C@H]1CCC[C@@H]1NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000826380673 1443206227 /nfs/dbraw/zinc/20/62/27/1443206227.db2.gz JFNATPGRJKWZQI-APWZRJJASA-N -1 0 344.422 3.316 20 30 EGEDRM COc1ccc(C=CC(=O)c2ccc(C)cc2C)cc1-c1nn[n-]n1 ZINC000737080551 1443437926 /nfs/dbraw/zinc/43/79/26/1443437926.db2.gz CPHCKKOEXPPITN-VMPITWQZSA-N -1 0 334.379 3.388 20 30 EGEDRM CC(C)c1nc(-c2nn[n-]n2)c(N=NC[C@@H]2C[C@@H]2c2ccccc2)o1 ZINC000824352439 1443665941 /nfs/dbraw/zinc/66/59/41/1443665941.db2.gz DGDPARVFQNFPCB-QWHCGFSZSA-N -1 0 337.387 3.180 20 30 EGEDRM O=C(C=Cc1nccc2ccccc21)c1ccc(-c2nn[n-]n2)s1 ZINC000826402712 1443955817 /nfs/dbraw/zinc/95/58/17/1443955817.db2.gz AEXCEGFYYJWJDY-AATRIKPKSA-N -1 0 333.376 3.373 20 30 EGEDRM C=CCC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1 ZINC000819729236 1446138109 /nfs/dbraw/zinc/13/81/09/1446138109.db2.gz FROMOLFUOWCRCE-UHFFFAOYSA-N -1 0 336.374 3.076 20 30 EGEDRM COc1ccc(C#N)cc1CNc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000821769340 1446173836 /nfs/dbraw/zinc/17/38/36/1446173836.db2.gz GTPQJRHHOWZFBL-UHFFFAOYSA-N -1 0 340.774 3.012 20 30 EGEDRM C[C@@H]1CCCC[C@@H]1CN=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC000824935738 1446207425 /nfs/dbraw/zinc/20/74/25/1446207425.db2.gz CSUCELDUSKNWSQ-GHMZBOCLSA-N -1 0 331.424 3.376 20 30 EGEDRM Cc1ccc(-c2nn[n-]n2)cc1NCc1ccc(N(C)CCC#N)cc1 ZINC000826278639 1446512798 /nfs/dbraw/zinc/51/27/98/1446512798.db2.gz MNVYKXBLLOOMSD-UHFFFAOYSA-N -1 0 347.426 3.137 20 30 EGEDRM Cc1ccc2c(c1C)C(=O)C(=Cc1cccc(-c3nn[n-]n3)c1)CO2 ZINC000737379462 1446526561 /nfs/dbraw/zinc/52/65/61/1446526561.db2.gz YTHZTCJCYLUBFM-DHDCSXOGSA-N -1 0 332.363 3.142 20 30 EGEDRM C=CCNC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823925229 1447315501 /nfs/dbraw/zinc/31/55/01/1447315501.db2.gz GGTJOYCPYLNUPG-CYBMUJFWSA-N -1 0 348.410 3.080 20 30 EGEDRM Cc1c(C)n(C2CCCC2)c(NC(=O)CS[C@@H](C)C(=O)[O-])c1C#N ZINC001611118710 970898092 /nfs/dbraw/zinc/89/80/92/970898092.db2.gz WCJMXGZWVWMJNZ-LBPRGKRZSA-N -1 0 349.456 3.237 20 30 EGEDRM N#Cc1ccc(F)c(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC001601105965 970934993 /nfs/dbraw/zinc/93/49/93/970934993.db2.gz LYFRNLJTMYZYSF-HIFRSBDPSA-N -1 0 339.326 3.132 20 30 EGEDRM C#CCCOc1ccc(C(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC001602675851 971255082 /nfs/dbraw/zinc/25/50/82/971255082.db2.gz WOFGWNVQRFXMBO-SFHVURJKSA-N -1 0 349.386 3.307 20 30 EGEDRM N#CCCCOc1cccc(NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000326705322 971319405 /nfs/dbraw/zinc/31/94/05/971319405.db2.gz WAIBCZVGWYATRC-UONOGXRCSA-N -1 0 330.384 3.199 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1CCc2c1cccc2-c1ccccc1 ZINC001602780775 971520721 /nfs/dbraw/zinc/52/07/21/971520721.db2.gz NIKVVCPMNUABOG-HXUWFJFHSA-N -1 0 334.375 3.247 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)OCCCc1cccc2ccccc21 ZINC001602781804 971526423 /nfs/dbraw/zinc/52/64/23/971526423.db2.gz JRPMAIPNVBHFRE-IBGZPJMESA-N -1 0 325.364 3.320 20 30 EGEDRM C[C@@H](C(=O)[O-])C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 ZINC001602795724 971558029 /nfs/dbraw/zinc/55/80/29/971558029.db2.gz NGNQGQOKXOZREH-HTRCEHHLSA-N -1 0 342.298 3.212 20 30 EGEDRM CCCC[C@@H](ON=C(C)C)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589639565 949665304 /nfs/dbraw/zinc/66/53/04/949665304.db2.gz CAXPQNWXNZTJSE-BYNSBNAKSA-N -1 0 340.464 3.209 20 30 EGEDRM CCCCCCCCc1nnc(NC(=O)[C@]2(C(=O)[O-])C[C@H]2C)s1 ZINC001589645143 949721031 /nfs/dbraw/zinc/72/10/31/949721031.db2.gz RJSIZMNZVCISQM-BZNIZROVSA-N -1 0 339.461 3.490 20 30 EGEDRM CCN(C(=O)c1coc(/C=C/C(=O)[O-])c1)[C@@H](C)c1ccc(C#N)cc1 ZINC001589710682 950320630 /nfs/dbraw/zinc/32/06/30/950320630.db2.gz LBMCVFSAFUNCQM-XEHSLEBBSA-N -1 0 338.363 3.472 20 30 EGEDRM CCOc1ccc(C#N)cc1NC(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC001592343153 951321101 /nfs/dbraw/zinc/32/11/01/951321101.db2.gz ASPNCQFPHUTGGC-CQSZACIVSA-N -1 0 345.399 3.208 20 30 EGEDRM C[C@@](CNc1cc(F)c(C#N)cc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC001589072136 955781293 /nfs/dbraw/zinc/78/12/93/955781293.db2.gz MGQANSVFYFAYTE-KRWDZBQOSA-N -1 0 343.314 3.060 20 30 EGEDRM N#CCCC[C@H](NC(=O)Cc1ccccc1C(=O)[O-])c1ccccc1 ZINC001594605885 956173286 /nfs/dbraw/zinc/17/32/86/956173286.db2.gz KCKIMCYZTDLZBJ-SFHVURJKSA-N -1 0 336.391 3.479 20 30 EGEDRM O=C([O-])c1cccc(NC(=O)C#Cc2ccc(C(F)(F)F)cc2)c1 ZINC001594667982 956596588 /nfs/dbraw/zinc/59/65/88/956596588.db2.gz QJZWWUUTQBUDMI-UHFFFAOYSA-N -1 0 333.265 3.394 20 30 EGEDRM CN(C)c1ccc(/C=C/C(=O)c2ccc(OCC(=O)[O-])cc2)cc1 ZINC000007621302 956881616 /nfs/dbraw/zinc/88/16/16/956881616.db2.gz MWCKZHWKKCJREF-LFYBBSHMSA-N -1 0 325.364 3.112 20 30 EGEDRM C=CCC[C@@H]1CCCN1C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC001341380076 957989985 /nfs/dbraw/zinc/98/99/85/957989985.db2.gz FLTYJABQIGTSTC-APWZRJJASA-N -1 0 330.428 3.169 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)Nc1cc(Cl)ccc1SCC ZINC001588411261 958149015 /nfs/dbraw/zinc/14/90/15/958149015.db2.gz UCTKAUQWYCPLMU-UHFFFAOYSA-N -1 0 326.805 3.004 20 30 EGEDRM C#CCN(CC(=O)[O-])Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC001588423773 958207344 /nfs/dbraw/zinc/20/73/44/958207344.db2.gz FVMONUGQPPOGJU-UHFFFAOYSA-N -1 0 331.318 3.277 20 30 EGEDRM O=C([O-])COc1ccc(C(=O)/C=C\c2cnn(-c3ccccc3)c2)cc1 ZINC000096891385 958342403 /nfs/dbraw/zinc/34/24/03/958342403.db2.gz NJINJAQVDGCNMT-WDZFZDKYSA-N -1 0 348.358 3.232 20 30 EGEDRM C=C(CNC(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21)c1ccccc1 ZINC001588445902 958378293 /nfs/dbraw/zinc/37/82/93/958378293.db2.gz VJLJLGABLVZPLS-ZWKOTPCHSA-N -1 0 336.391 3.312 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)c1cc(C)c(-c2ccc(F)cc2)s1 ZINC001573319603 958473852 /nfs/dbraw/zinc/47/38/52/958473852.db2.gz DRCQZVBNPVDUCQ-UHFFFAOYSA-N -1 0 331.368 3.023 20 30 EGEDRM C=CC[C@H](OC(=O)[C@@H](OC)C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001573328090 958494536 /nfs/dbraw/zinc/49/45/36/958494536.db2.gz AELSISIRCYXRKW-RYUDHWBXSA-N -1 0 333.167 3.253 20 30 EGEDRM C=CCn1c(SCCCC(=O)[O-])nnc1-c1ccc(OC)cc1 ZINC001588475083 958560451 /nfs/dbraw/zinc/56/04/51/958560451.db2.gz WGUIXGACSJXQJY-UHFFFAOYSA-N -1 0 333.413 3.097 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NCC1(c2ccccc2)CCCCCC1 ZINC001573366240 958626826 /nfs/dbraw/zinc/62/68/26/958626826.db2.gz ZUHCIPYGMFKAMP-IBGZPJMESA-N -1 0 342.439 3.399 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCC[C@@H](c2ccccc2)CC1 ZINC001588538957 958948288 /nfs/dbraw/zinc/94/82/88/958948288.db2.gz RSHGEGHAEJOCQP-JTDSTZFVSA-N -1 0 328.412 3.224 20 30 EGEDRM CC(C)(C(=O)Nc1cccc(CC(=O)[O-])c1)c1cc(F)cc(C#N)c1 ZINC001588611552 959515164 /nfs/dbraw/zinc/51/51/64/959515164.db2.gz XCCNAFSGNOEBQT-UHFFFAOYSA-N -1 0 340.354 3.241 20 30 EGEDRM CC1(C)C[C@]1(C(=O)[O-])C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001573667612 959706134 /nfs/dbraw/zinc/70/61/34/959706134.db2.gz JEYYDALZERXVOV-CQSZACIVSA-N -1 0 326.274 3.016 20 30 EGEDRM C=C(C)[C@@H](CC(=O)N1CCCC[C@@H]1c1ccc(C(=O)[O-])n1C)OCC ZINC001123296681 960451996 /nfs/dbraw/zinc/45/19/96/960451996.db2.gz IYPFWSNKJKPAPQ-NVXWUHKLSA-N -1 0 348.443 3.148 20 30 EGEDRM C[C@@H](Oc1ccc(CN=Nc2ccc(C(C)(C)C)nn2)cc1)C(=O)[O-] ZINC001321817909 961003466 /nfs/dbraw/zinc/00/34/66/961003466.db2.gz DCXJBCATQONRFO-GFCCVEGCSA-N -1 0 342.399 3.072 20 30 EGEDRM CC(C)(C)c1ccc([C@H](C#N)NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)cc1 ZINC001588739833 961160493 /nfs/dbraw/zinc/16/04/93/961160493.db2.gz XGDBJQFBZGBIKV-LZWOXQAQSA-N -1 0 328.412 3.166 20 30 EGEDRM C=CCCO[C@@H](C)C(=O)N[C@H](CC(=O)[O-])c1ccc(SC)cc1 ZINC000262083179 961442846 /nfs/dbraw/zinc/44/28/46/961442846.db2.gz DUTOJXRUIPCVOK-SWLSCSKDSA-N -1 0 337.441 3.022 20 30 EGEDRM CC(C)[C@@H](C(=O)[O-])C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl ZINC001588804074 961455140 /nfs/dbraw/zinc/45/51/40/961455140.db2.gz MQXMMXCHMKKXSI-GHMZBOCLSA-N -1 0 329.183 3.031 20 30 EGEDRM N#Cc1cc([N+](=O)[O-])c(Nc2cccc(CCC(=O)[O-])c2)cc1F ZINC001574485927 961680162 /nfs/dbraw/zinc/68/01/62/961680162.db2.gz NGVRDHXDCKTMPX-UHFFFAOYSA-N -1 0 329.287 3.366 20 30 EGEDRM CC(C)[C@@H]1C[C@@H](CNC(=O)[C@](C)(C#N)CC(=O)[O-])c2ccccc21 ZINC001588953740 962579090 /nfs/dbraw/zinc/57/90/90/962579090.db2.gz AKCPXBXSBVFGEO-AXHNFQJDSA-N -1 0 328.412 3.034 20 30 EGEDRM C#CCCCCn1c(C2CCCC2)nnc1N1CCC(C(=O)[O-])CC1 ZINC001573302085 962644457 /nfs/dbraw/zinc/64/44/57/962644457.db2.gz PTTFSHMGEXPBQV-UHFFFAOYSA-N -1 0 344.459 3.040 20 30 EGEDRM C#CCC1(NC(=O)NCCc2ccc(NC(=O)[O-])cc2)CCCCC1 ZINC001573302501 962655114 /nfs/dbraw/zinc/65/51/14/962655114.db2.gz CAZGCJWIVKGHCT-UHFFFAOYSA-N -1 0 343.427 3.344 20 30 EGEDRM C#CCO[C@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1C(=O)[O-] ZINC001573310923 962690661 /nfs/dbraw/zinc/69/06/61/962690661.db2.gz FGDABUMALVGXKR-CYBMUJFWSA-N -1 0 339.347 3.154 20 30 EGEDRM C#Cc1ccc(NC(=O)NCc2ccc(C(=O)[O-])cc2F)c(Cl)c1 ZINC001573314076 962740641 /nfs/dbraw/zinc/74/06/41/962740641.db2.gz WFVGWFUENSNICJ-UHFFFAOYSA-N -1 0 346.745 3.480 20 30 EGEDRM C=C(C)C[C@H](NC(=O)c1cccc(Oc2ccncc2)c1)C(=O)[O-] ZINC001573324357 962783393 /nfs/dbraw/zinc/78/33/93/962783393.db2.gz PWNZHJWPAPCYFN-INIZCTEOSA-N -1 0 326.352 3.023 20 30 EGEDRM C=CCCC1(CNC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)CCCC1 ZINC001573328745 962811231 /nfs/dbraw/zinc/81/12/31/962811231.db2.gz NRSFTHKMFFWMFY-JKSUJKDBSA-N -1 0 334.460 3.265 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC001573332652 962839361 /nfs/dbraw/zinc/83/93/61/962839361.db2.gz QGGXDXBKCDCGOZ-CQSZACIVSA-N -1 0 339.844 3.454 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N[C@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC001573332761 962842429 /nfs/dbraw/zinc/84/24/29/962842429.db2.gz OTPIMVCOUWOZEL-HNNXBMFYSA-N -1 0 325.767 3.467 20 30 EGEDRM C=CC(C)(C)CCCNC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001573348682 962961135 /nfs/dbraw/zinc/96/11/35/962961135.db2.gz ZMCGAIMONWVNLR-MRXNPFEDSA-N -1 0 330.428 3.372 20 30 EGEDRM C=CCC(F)(F)C(=O)Nc1cc(C(=O)[O-])ccc1-n1cc(C)cn1 ZINC001573350232 962967881 /nfs/dbraw/zinc/96/78/81/962967881.db2.gz GNYXQQMQBBUGLB-UHFFFAOYSA-N -1 0 335.310 3.029 20 30 EGEDRM Cc1oc(C(=O)[O-])cc1COc1cc(Br)ccc1C#N ZINC000308006966 963248455 /nfs/dbraw/zinc/24/84/55/963248455.db2.gz MVLWSNLXYSQRKW-UHFFFAOYSA-N -1 0 336.141 3.499 20 30 EGEDRM CC(C)(C#N)c1ccc(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])cc1 ZINC001609744311 970512718 /nfs/dbraw/zinc/51/27/18/970512718.db2.gz VTEKWLXSIMVTQR-UAGQMJEPSA-N -1 0 340.423 3.346 20 30 EGEDRM Cc1c2cc(C#N)ccc2sc1C(=O)N1CCC[C@@H](C)[C@H]1C(=O)[O-] ZINC001605077362 972712042 /nfs/dbraw/zinc/71/20/42/972712042.db2.gz UBCVGBLNZBZKBF-BMIGLBTASA-N -1 0 342.420 3.407 20 30 EGEDRM C[C@H]1CCc2sc(NC(=O)C3(C(=O)[O-])CCC3)c(C#N)c2[C@H]1C ZINC001603438845 973209921 /nfs/dbraw/zinc/20/99/21/973209921.db2.gz FFLAEEFRQLIAOE-UWVGGRQHSA-N -1 0 332.425 3.499 20 30 EGEDRM N#C[C@@H](C(=O)CCCCC(=O)[O-])C(=O)Nc1cccc2ccccc21 ZINC001605575870 973841611 /nfs/dbraw/zinc/84/16/11/973841611.db2.gz GFPRHJKFSYQJPU-HNNXBMFYSA-N -1 0 338.363 3.132 20 30 EGEDRM N#Cc1ccccc1Oc1ccc(NC(=O)c2cc(C(=O)[O-])n[nH]2)cc1 ZINC001605619912 973940717 /nfs/dbraw/zinc/94/07/17/973940717.db2.gz LVTJSZTUIYLZFW-UHFFFAOYSA-N -1 0 348.318 3.024 20 30 EGEDRM N#Cc1ccccc1/C=C\C(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21 ZINC001605620328 973944027 /nfs/dbraw/zinc/94/40/27/973944027.db2.gz ZQMVKTSOUNYOEF-DOOKAGJSSA-N -1 0 332.359 3.177 20 30 EGEDRM C[C@H](CC(=O)N(CC#N)CCC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001592225768 977412859 /nfs/dbraw/zinc/41/28/59/977412859.db2.gz NNZFMYXNBBKLDH-LLVKDONJSA-N -1 0 342.317 3.026 20 30 EGEDRM C[C@H](CCCC#C[Si](C)(C)C)OC(=O)c1cc(C(=O)[O-])ccn1 ZINC001592476696 978237346 /nfs/dbraw/zinc/23/73/46/978237346.db2.gz BQBXWCFXHKUDLL-CYBMUJFWSA-N -1 0 333.460 3.376 20 30 EGEDRM O=C([O-])c1ccc(N=NCc2ccc(F)c(Br)c2)nc1 ZINC000763369926 978722267 /nfs/dbraw/zinc/72/22/67/978722267.db2.gz YTJFPOXKNTVWBI-UHFFFAOYSA-N -1 0 338.136 3.127 20 30 EGEDRM CCOC(=O)Cc1ccc(C(=O)/C=C/c2cccc(C(=O)[O-])c2)cc1 ZINC000774119427 978745987 /nfs/dbraw/zinc/74/59/87/978745987.db2.gz NLUMXNFEBONEAT-DHZHZOJOSA-N -1 0 338.359 3.387 20 30 EGEDRM CCOc1c(C=NNc2cccc(C(=O)[O-])c2)c(C)nn1CC(C)C ZINC000812374515 978868760 /nfs/dbraw/zinc/86/87/60/978868760.db2.gz CWYIGVWBMJDSQO-UHFFFAOYSA-N -1 0 344.415 3.390 20 30 EGEDRM Cc1cc(CN=Nc2ccccc2C(=O)[O-])c(C)n1C[C@@H]1CCCO1 ZINC000812445214 978869974 /nfs/dbraw/zinc/86/99/74/978869974.db2.gz NBEIDJNDGLJPBE-INIZCTEOSA-N -1 0 341.411 3.428 20 30 EGEDRM O=C([O-])c1cc(C=NOCc2ccc(F)cc2Br)c[nH]1 ZINC000814909991 978897907 /nfs/dbraw/zinc/89/79/07/978897907.db2.gz UZPOTOQEMKEOQX-UHFFFAOYSA-N -1 0 341.136 3.165 20 30 EGEDRM CCOC(=O)c1ccc(N=NC2CC[C@@H](CC(=O)[O-])[C@H]2C)cc1C ZINC000814935281 978899364 /nfs/dbraw/zinc/89/93/64/978899364.db2.gz OEMGFIGCSJPELZ-OLZOCXBDSA-N -1 0 332.400 3.460 20 30 EGEDRM C[C@@](CNc1ccc(C(F)(F)F)c(C#N)n1)(C(=O)[O-])c1ccccc1 ZINC001592728843 979239131 /nfs/dbraw/zinc/23/91/31/979239131.db2.gz GOBUCOMCOHAXFA-INIZCTEOSA-N -1 0 349.312 3.426 20 30 EGEDRM O=C([O-])c1ccc(/C=C2\S/C(=N\C3CCCCC3)NC2=O)cc1F ZINC000849177101 979486811 /nfs/dbraw/zinc/48/68/11/979486811.db2.gz YSERMTDILVVOAV-ZROIWOOFSA-N -1 0 348.399 3.417 20 30 EGEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCc2cccc(C(=O)[O-])c2C1 ZINC001592833077 979567866 /nfs/dbraw/zinc/56/78/66/979567866.db2.gz AFJXEBCNSNOVQX-AWEZNQCLSA-N -1 0 348.402 3.020 20 30 EGEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC001592834690 979578399 /nfs/dbraw/zinc/57/83/99/979578399.db2.gz UYLSXEPXURPNFN-AWEZNQCLSA-N -1 0 336.391 3.393 20 30 EGEDRM CC(C)(CC(=O)[O-])CC(=O)N[C@H](c1cccc(C#N)c1)C(F)(F)F ZINC000873002026 980163312 /nfs/dbraw/zinc/16/33/12/980163312.db2.gz AOOONPQOYNJQRL-CQSZACIVSA-N -1 0 342.317 3.169 20 30 EGEDRM Cc1oc(/C=C2\S/C(=N/C3CCCCC3)NC2=O)cc1C(=O)[O-] ZINC000899341776 980227265 /nfs/dbraw/zinc/22/72/65/980227265.db2.gz JHELRIZPEURGHX-JYRVWZFOSA-N -1 0 334.397 3.179 20 30 EGEDRM C=C(C)C[C@@H](NCc1csc(-c2ccc(OC)cc2)n1)C(=O)[O-] ZINC000901679524 980442445 /nfs/dbraw/zinc/44/24/45/980442445.db2.gz PDADPJPGEJDXOY-OAHLLOKOSA-N -1 0 332.425 3.328 20 30 EGEDRM C=C[C@@](C)(CC)C(=O)NC[C@H](Cc1ccc(OCC)cc1)C(=O)[O-] ZINC000909169281 981430457 /nfs/dbraw/zinc/43/04/57/981430457.db2.gz CCNYOUTYXXYKGW-KXBFYZLASA-N -1 0 333.428 3.047 20 30 EGEDRM CC[C@H](C(=O)[O-])C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 ZINC001594760392 981691709 /nfs/dbraw/zinc/69/17/09/981691709.db2.gz YDOLZOBNNBZDFY-KRWDZBQOSA-N -1 0 338.363 3.187 20 30 EGEDRM C=CCC[C@H](NC(=O)CCCn1ccc(C(=O)[O-])n1)c1ccccc1 ZINC000910250444 981823950 /nfs/dbraw/zinc/82/39/50/981823950.db2.gz KNBXGRUQDITGEZ-INIZCTEOSA-N -1 0 341.411 3.185 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1ccc(C)cc1Br)C(=O)[O-] ZINC000910911728 982160927 /nfs/dbraw/zinc/16/09/27/982160927.db2.gz HFXQRILNWNKBPK-ZDUSSCGKSA-N -1 0 340.217 3.297 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1cc(C)n(-c2ccccn2)c1C)C(=O)[O-] ZINC000910914480 982161488 /nfs/dbraw/zinc/16/14/88/982161488.db2.gz HWDVWSSWPUYRDH-INIZCTEOSA-N -1 0 341.411 3.028 20 30 EGEDRM CCCCCCCS(=O)(=O)Oc1ccc(N(C)C)c(C(=O)[O-])c1 ZINC001595708931 982288076 /nfs/dbraw/zinc/28/80/76/982288076.db2.gz LWCODLNAXVJHSU-UHFFFAOYSA-N -1 0 343.445 3.130 20 30 EGEDRM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)CC(C)(C)CC(=O)[O-] ZINC000911745477 982627303 /nfs/dbraw/zinc/62/73/03/982627303.db2.gz CJOZJBPYKMWAQZ-UHFFFAOYSA-N -1 0 335.448 3.260 20 30 EGEDRM CC[C@H](C)C[C@@H](Nc1ncc(Br)cc1C#N)C(=O)[O-] ZINC001594954166 982684708 /nfs/dbraw/zinc/68/47/08/982684708.db2.gz ZYJJUVLITCLOGH-GZMMTYOYSA-N -1 0 326.194 3.017 20 30 EGEDRM CC[C@](C)(C#N)C(=O)NC[C@@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000923063675 982702421 /nfs/dbraw/zinc/70/24/21/982702421.db2.gz DGLZUDBYWIXTDE-OXQOHEQNSA-N -1 0 338.407 3.139 20 30 EGEDRM C#C[C@@H](Cc1ccccc1)OC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001588370807 983322243 /nfs/dbraw/zinc/32/22/43/983322243.db2.gz NLFMJWPILVGLNE-AWEZNQCLSA-N -1 0 328.751 3.440 20 30 EGEDRM C#C[C@H](NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1ccc(Cl)cc1F ZINC001588373082 983336921 /nfs/dbraw/zinc/33/69/21/983336921.db2.gz ZREHKPKPEUSMQN-HFAKWTLXSA-N -1 0 337.778 3.161 20 30 EGEDRM C#CC[C@H](NC(=O)c1cccc(F)c1Sc1ccccc1)C(=O)[O-] ZINC001588416490 983436799 /nfs/dbraw/zinc/43/67/99/983436799.db2.gz NMHJZFDXWRYEIC-HNNXBMFYSA-N -1 0 343.379 3.183 20 30 EGEDRM C#CC[C@H](NC(=O)c1ccccc1SCc1cccs1)C(=O)[O-] ZINC001588417159 983438772 /nfs/dbraw/zinc/43/87/72/983438772.db2.gz ZGUNUKUCJLOVKO-AWEZNQCLSA-N -1 0 345.445 3.247 20 30 EGEDRM C#CC[C@@H](Nc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-])c1ccccc1 ZINC001588428181 983460640 /nfs/dbraw/zinc/46/06/40/983460640.db2.gz FERRANDQNHOWOB-CQSZACIVSA-N -1 0 325.324 3.173 20 30 EGEDRM C#CCCOc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2cccs2)cc1 ZINC001588455987 983481215 /nfs/dbraw/zinc/48/12/15/983481215.db2.gz YAERPUSNRBWRAW-HNNXBMFYSA-N -1 0 343.404 3.096 20 30 EGEDRM CCN(C(=O)c1cc(C)c(C(=O)[O-])o1)[C@H](C)c1ccc(C#N)cc1 ZINC001596164937 983528727 /nfs/dbraw/zinc/52/87/27/983528727.db2.gz YQEGUFZNNYRDJZ-GFCCVEGCSA-N -1 0 326.352 3.381 20 30 EGEDRM C#Cc1ccc(C(=O)N[C@H](CC(=O)[O-])c2cccc3ccccc32)nc1 ZINC001588516198 983560493 /nfs/dbraw/zinc/56/04/93/983560493.db2.gz DBXJPEBITRBVMX-LJQANCHMSA-N -1 0 344.370 3.162 20 30 EGEDRM C#Cc1ccc(CNC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)cc1 ZINC001588517215 983563974 /nfs/dbraw/zinc/56/39/74/983563974.db2.gz OXRHLWNKXFWVEV-UHFFFAOYSA-N -1 0 328.755 3.341 20 30 EGEDRM C=C(C)[C@H](NC(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C)c1ccc(F)c(F)c1 ZINC001588534484 983585803 /nfs/dbraw/zinc/58/58/03/983585803.db2.gz GZKZDWXSUIEHRX-NVBFEUDRSA-N -1 0 338.354 3.087 20 30 EGEDRM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC001588534941 983587565 /nfs/dbraw/zinc/58/75/65/983587565.db2.gz DCJZGDNFEQNPQC-UNEWFSDZSA-N -1 0 346.427 3.053 20 30 EGEDRM C=C(C)C[C@H](NC(=O)c1ccc(Nc2nccs2)cc1F)C(=O)[O-] ZINC001588547078 983618440 /nfs/dbraw/zinc/61/84/40/983618440.db2.gz SVCCDHGLFZKDFL-ZDUSSCGKSA-N -1 0 349.387 3.175 20 30 EGEDRM C=C(C)C[C@@H](Nc1nn2cc(-c3ccccc3)nc2s1)C(=O)[O-] ZINC001588555036 983633015 /nfs/dbraw/zinc/63/30/15/983633015.db2.gz XPKFUYFGUSNWDN-GFCCVEGCSA-N -1 0 328.397 3.289 20 30 EGEDRM C=C(C)CN(Cc1ccccc1)C(=O)Nc1nc(CC(=O)[O-])cs1 ZINC001588567250 983646588 /nfs/dbraw/zinc/64/65/88/983646588.db2.gz GOUCOLABNBBTPU-UHFFFAOYSA-N -1 0 345.424 3.380 20 30 EGEDRM C=C(C)CN(Cc1ccccc1)C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 ZINC001588567444 983646905 /nfs/dbraw/zinc/64/69/05/983646905.db2.gz LOIBJYHYLHBWKN-TVFCKZIOSA-N -1 0 342.439 3.274 20 30 EGEDRM C=C(C)Cn1c([C@H]2[C@@H]3CCCC[C@@H]32)nnc1N1CCC(C(=O)[O-])CC1 ZINC001588592277 983676869 /nfs/dbraw/zinc/67/68/69/983676869.db2.gz VHYMOLSXHHPTGC-ZSHCYNCHSA-N -1 0 344.459 3.059 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC001588615185 983710580 /nfs/dbraw/zinc/71/05/80/983710580.db2.gz MEVJLMMJTVLGBY-CYBMUJFWSA-N -1 0 348.468 3.149 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N[C@H](C)c1oc2ccc(OC)cc2c1C ZINC001588621686 983720125 /nfs/dbraw/zinc/72/01/25/983720125.db2.gz IIVWIXCFCCOULE-GFCCVEGCSA-N -1 0 331.368 3.348 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H](CCc1ccccc1)C(F)(F)F ZINC001588621787 983720566 /nfs/dbraw/zinc/72/05/66/983720566.db2.gz JWNRXAUJRDZCIF-ZDUSSCGKSA-N -1 0 329.318 3.087 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N[C@H]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC001588622173 983722206 /nfs/dbraw/zinc/72/22/06/983722206.db2.gz QKKDDBPYIZFZDZ-KGLIPLIRSA-N -1 0 341.411 3.126 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(C(=O)OC(C)(C)C)c(C)c1 ZINC001588629831 983739517 /nfs/dbraw/zinc/73/95/17/983739517.db2.gz VXVVAQZDKUMBAU-UHFFFAOYSA-N -1 0 333.384 3.310 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccccc1CNC(=O)OC(C)(C)C ZINC001588633092 983747694 /nfs/dbraw/zinc/74/76/94/983747694.db2.gz BBVWAXIBYVRJGU-UHFFFAOYSA-N -1 0 348.399 3.071 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccccc1O[C@@H](C)C(F)(F)F ZINC001588634636 983753432 /nfs/dbraw/zinc/75/34/32/983753432.db2.gz YOXVOSNKVJHIBY-JTQLQIEISA-N -1 0 331.290 3.376 20 30 EGEDRM C=C[C@H](C(=O)NC[C@H](Cc1cccc(C)c1)C(=O)[O-])c1ccccc1 ZINC001588663515 983795682 /nfs/dbraw/zinc/79/56/82/983795682.db2.gz IPJSDVNNSLKXFZ-OALUTQOASA-N -1 0 337.419 3.324 20 30 EGEDRM C=CCC(C)(C)CNS(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1C ZINC001588736638 984026057 /nfs/dbraw/zinc/02/60/57/984026057.db2.gz QIBZMIDDTYLKMV-UHFFFAOYSA-N -1 0 345.848 3.227 20 30 EGEDRM C=CC[C@H](Cc1ccccc1)NC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001588743570 984038930 /nfs/dbraw/zinc/03/89/30/984038930.db2.gz AANFYILKINTSIN-QGZVFWFLSA-N -1 0 339.391 3.067 20 30 EGEDRM C=CC[C@H]1CCN(C(=O)NC[C@@](CC)(C(=O)[O-])c2ccccc2)C1 ZINC001588772203 984141419 /nfs/dbraw/zinc/14/14/19/984141419.db2.gz AFIUDENRQKSSMQ-HNAYVOBHSA-N -1 0 330.428 3.027 20 30 EGEDRM C=CCCC(=O)Nc1ccc(COC(=O)C[C@@H](C)CC(=O)[O-])cc1 ZINC001588777099 984154933 /nfs/dbraw/zinc/15/49/33/984154933.db2.gz TYGWIHJDMWHCHW-ZDUSSCGKSA-N -1 0 333.384 3.135 20 30 EGEDRM C=CCCC(C)(C)CNS(=O)(=O)c1cccc(Cl)c1C(=O)[O-] ZINC001588777613 984156854 /nfs/dbraw/zinc/15/68/54/984156854.db2.gz FGYHKXNGBMZSRE-UHFFFAOYSA-N -1 0 345.848 3.309 20 30 EGEDRM C=CCCCC(=O)N[C@H](C(=O)[O-])c1ccccc1Br ZINC001588782574 984173295 /nfs/dbraw/zinc/17/32/95/984173295.db2.gz WJYADPPAGVSKJC-ZDUSSCGKSA-N -1 0 326.190 3.047 20 30 EGEDRM C=CCCC[C@@H](NC(=O)[C@H]1CC(C)(C)Oc2ccccc21)C(=O)[O-] ZINC001588790271 984205267 /nfs/dbraw/zinc/20/52/67/984205267.db2.gz UORBRBGJFXHMGJ-LSDHHAIUSA-N -1 0 331.412 3.257 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)C(=O)[O-] ZINC001588792420 984208974 /nfs/dbraw/zinc/20/89/74/984208974.db2.gz GVNPZAZUDSNNCN-LBPRGKRZSA-N -1 0 340.763 3.096 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1c(C)nc2ccccc2c1C)C(=O)[O-] ZINC001588794605 984228737 /nfs/dbraw/zinc/22/87/37/984228737.db2.gz ZRUKWQKMKOZXNW-INIZCTEOSA-N -1 0 326.396 3.391 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1cnn(-c2ccc(C)cc2)c1C)C(=O)[O-] ZINC001588797465 984229664 /nfs/dbraw/zinc/22/96/64/984229664.db2.gz FMDOIYIKTOQBLR-QGZVFWFLSA-N -1 0 341.411 3.028 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1ncccc1Oc1ccccc1)C(=O)[O-] ZINC001588798247 984234407 /nfs/dbraw/zinc/23/44/07/984234407.db2.gz YOMSXSNXRBVAJH-OAHLLOKOSA-N -1 0 340.379 3.413 20 30 EGEDRM C=CCCCCCNC(=O)N1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001588800047 984244336 /nfs/dbraw/zinc/24/43/36/984244336.db2.gz XVIMRZRLSYCRKJ-LBPRGKRZSA-N -1 0 337.445 3.087 20 30 EGEDRM C=CCCN(OCc1ccccc1)C(=O)c1ccoc1CC(=O)[O-] ZINC001588807756 984261075 /nfs/dbraw/zinc/26/10/75/984261075.db2.gz XHUQYCUWWWOJAC-UHFFFAOYSA-N -1 0 329.352 3.057 20 30 EGEDRM C=CCCc1ccccc1NC(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC001588817473 984275924 /nfs/dbraw/zinc/27/59/24/984275924.db2.gz LIIHWKLRMSZAAT-UHFFFAOYSA-N -1 0 342.399 3.465 20 30 EGEDRM C=CCN(CCc1ccccc1)C(=O)NCc1cc(C(=O)[O-])c(C)o1 ZINC001588828724 984309278 /nfs/dbraw/zinc/30/92/78/984309278.db2.gz KZKFFQAXKLHAFJ-UHFFFAOYSA-N -1 0 342.395 3.227 20 30 EGEDRM C=CCN(CCOC)C(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001588829007 984310574 /nfs/dbraw/zinc/31/05/74/984310574.db2.gz YBEXGWITMHXNFP-UHFFFAOYSA-N -1 0 328.368 3.204 20 30 EGEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)c1cccc(CC(=O)[O-])c1 ZINC001588832877 984327477 /nfs/dbraw/zinc/32/74/77/984327477.db2.gz UVHFEQRHBIPWEX-UHFFFAOYSA-N -1 0 339.391 3.151 20 30 EGEDRM C=CCNc1ncc(C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)s1 ZINC001588849375 984370682 /nfs/dbraw/zinc/37/06/82/984370682.db2.gz MYARYJJESVLDRQ-JTQLQIEISA-N -1 0 331.397 3.181 20 30 EGEDRM C=CCOc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc(F)c(C)c2)cc1 ZINC001588869469 984438746 /nfs/dbraw/zinc/43/87/46/984438746.db2.gz CSOGPVVKOFQGJS-KRWDZBQOSA-N -1 0 343.354 3.255 20 30 EGEDRM C=CCOc1ccc(C(=O)O[C@@H](C(=O)[O-])c2ccccc2)cc1OC ZINC001588874656 984448480 /nfs/dbraw/zinc/44/84/80/984448480.db2.gz CSLVNFUUSIKGQP-QGZVFWFLSA-N -1 0 342.347 3.243 20 30 EGEDRM C=CCOc1ccccc1CNC(=O)NCc1ccc(C(=O)[O-])s1 ZINC001588877259 984452166 /nfs/dbraw/zinc/45/21/66/984452166.db2.gz FYUFQHCJBIKARX-UHFFFAOYSA-N -1 0 346.408 3.011 20 30 EGEDRM C=CCOc1cccnc1C(=O)Nc1ccc(C(=O)[O-])cc1CC ZINC001588878957 984456281 /nfs/dbraw/zinc/45/62/81/984456281.db2.gz OYBQOTBHXHWPRD-UHFFFAOYSA-N -1 0 326.352 3.159 20 30 EGEDRM C=CCn1c(-c2ccc(C)cc2C)nnc1N1CC[C@@](C)(C(=O)[O-])C1 ZINC001588888902 984476371 /nfs/dbraw/zinc/47/63/71/984476371.db2.gz HTTCBPGGOMVLCW-LJQANCHMSA-N -1 0 340.427 3.049 20 30 EGEDRM C=CCn1c(SC/C(C)=C/C(=O)[O-])nnc1-c1cccc(OC)c1 ZINC001588907787 984540445 /nfs/dbraw/zinc/54/04/45/984540445.db2.gz XIWYQDPTXKUUAS-FMIVXFBMSA-N -1 0 345.424 3.263 20 30 EGEDRM CCOC(=O)Nc1ccc(N[C@@H]2C[C@@H]3C[C@@H](C(=O)[O-])C[C@@H]23)cc1C#N ZINC001596667536 984734181 /nfs/dbraw/zinc/73/41/81/984734181.db2.gz YCNOZLGTFWXYLJ-KYXHQGGESA-N -1 0 343.383 3.038 20 30 EGEDRM CCOC(=O)c1ccc(OCc2cccc(C(=O)[O-])c2C#N)cc1 ZINC001596726252 984982017 /nfs/dbraw/zinc/98/20/17/984982017.db2.gz IEAVGMVCPRQAPU-UHFFFAOYSA-N -1 0 325.320 3.012 20 30 EGEDRM CC(=NNc1cc(C(=O)[O-])ccc1Br)c1cnoc1C ZINC001589016600 984996521 /nfs/dbraw/zinc/99/65/21/984996521.db2.gz CGYQTVLSLOGUFF-UHFFFAOYSA-N -1 0 338.161 3.280 20 30 EGEDRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)OCc1ccccc1C(C)(C)C#N ZINC001599957561 985715764 /nfs/dbraw/zinc/71/57/64/985715764.db2.gz PDGROAJEIAMXNI-UHFFFAOYSA-N -1 0 340.379 3.488 20 30 EGEDRM Cc1c2cc(C#N)ccc2sc1C(=O)N[C@H](CC1CC1)C(=O)[O-] ZINC001599979462 986142166 /nfs/dbraw/zinc/14/21/66/986142166.db2.gz YVJXSADXFJXBOX-CYBMUJFWSA-N -1 0 328.393 3.065 20 30 EGEDRM C[C@@H](C#N)Oc1ccc(CN=Nc2cccc(F)c2C(=O)[O-])cc1 ZINC001589331307 986184299 /nfs/dbraw/zinc/18/42/99/986184299.db2.gz AKRFUSIYSZPLJG-NSHDSACASA-N -1 0 327.315 3.261 20 30 EGEDRM C[C@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC001589336388 986221256 /nfs/dbraw/zinc/22/12/56/986221256.db2.gz ZMNIBEKJJGMLIX-SNVBAGLBSA-N -1 0 343.314 3.459 20 30 EGEDRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)C2(c3cccc(C#N)c3)CC2)c1 ZINC001589523032 987184641 /nfs/dbraw/zinc/18/46/41/987184641.db2.gz SOBZVKOVQAFHDB-CYBMUJFWSA-N -1 0 334.375 3.417 20 30 EGEDRM CC(C)(C(=O)NCC1(CC(=O)[O-])CCCC1)c1cc(F)cc(C#N)c1 ZINC001589570019 987337867 /nfs/dbraw/zinc/33/78/67/987337867.db2.gz FPVSCSNZRQQZGZ-UHFFFAOYSA-N -1 0 346.402 3.126 20 30 EGEDRM CC(C)(C)C#CC(=O)N(CC(=O)[O-])Cc1ccc(C(F)(F)F)cc1 ZINC001589681869 987715978 /nfs/dbraw/zinc/71/59/78/987715978.db2.gz JBFPJOLTWLSFGW-UHFFFAOYSA-N -1 0 341.329 3.168 20 30 EGEDRM CCc1ccc(C(=O)[O-])c(OC(=O)[C@@H](C)Oc2ccccc2C#N)c1 ZINC001597502469 988067007 /nfs/dbraw/zinc/06/70/07/988067007.db2.gz BTGPVIBKRCWSGY-GFCCVEGCSA-N -1 0 339.347 3.192 20 30 EGEDRM C[C@@H](CC(=O)[O-])NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 ZINC001599832251 988692270 /nfs/dbraw/zinc/69/22/70/988692270.db2.gz BFGCBUPENYXWDH-SUMWQHHRSA-N -1 0 337.379 3.327 20 30 EGEDRM C[C@@H](NCc1cccc(C(=O)[O-])c1C#N)c1ccc([N+](=O)[O-])cc1 ZINC001599841688 988848714 /nfs/dbraw/zinc/84/87/14/988848714.db2.gz DHSSKFCIGVMCOX-LLVKDONJSA-N -1 0 325.324 3.015 20 30 EGEDRM COc1ccccc1N=C1NN=C(c2ccc(C(=O)[O-])cc2)CS1 ZINC001599714095 991422521 /nfs/dbraw/zinc/42/25/21/991422521.db2.gz OLOWOMIOWNQSNZ-UHFFFAOYSA-N -1 0 341.392 3.122 20 30 EGEDRM CC(C)Cc1ccc(CCCC(=O)N(CC#N)CCC(=O)[O-])cc1 ZINC001591484191 992608325 /nfs/dbraw/zinc/60/83/25/992608325.db2.gz VDIUDDADEQGGEA-UHFFFAOYSA-N -1 0 330.428 3.035 20 30 EGEDRM CC(C)Cc1ccc([C@H](C)C(=O)N2CCC(C#N)(C(=O)[O-])CC2)cc1 ZINC001591488966 992617899 /nfs/dbraw/zinc/61/78/99/992617899.db2.gz LNSGATJMWJXARA-HNNXBMFYSA-N -1 0 342.439 3.206 20 30 EGEDRM C[C@@H](NC(=O)Nc1cccc(CCC(=O)[O-])c1)c1cccc(C#N)c1 ZINC001593118517 993830516 /nfs/dbraw/zinc/83/05/16/993830516.db2.gz NTPVMAABVIBBGY-CYBMUJFWSA-N -1 0 337.379 3.458 20 30 EGEDRM COc1cccc(C(=O)[O-])c1OC(=O)c1ccc(Cl)c(C#N)c1 ZINC001599643357 994389995 /nfs/dbraw/zinc/38/99/95/994389995.db2.gz DUEPDVDSTAXLMV-UHFFFAOYSA-N -1 0 331.711 3.138 20 30 EGEDRM C[C@@H](Sc1ccccc1C(=O)N(O)Cc1ccc(F)cc1)C(=O)[O-] ZINC001593668144 996062004 /nfs/dbraw/zinc/06/20/04/996062004.db2.gz NBUUXRQRLOHDLK-LLVKDONJSA-N -1 0 349.383 3.423 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1NC(=O)[C@H](C#N)CCc1ccccc1 ZINC001599371149 998411969 /nfs/dbraw/zinc/41/19/69/998411969.db2.gz PHVBBSAOWAVOKI-HNNXBMFYSA-N -1 0 338.363 3.104 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1OC(=O)[C@]1(C#N)CC2CCC1CC2 ZINC001599377539 998512638 /nfs/dbraw/zinc/51/26/38/998512638.db2.gz DLLMGXKZXLGRKO-LPSAFJIBSA-N -1 0 329.352 3.019 20 30 EGEDRM C[C@H]1[C@H](C(=O)[O-])CCN1c1c(C#N)cnc2c(F)ccc(Cl)c21 ZINC001594170889 998656850 /nfs/dbraw/zinc/65/68/50/998656850.db2.gz LWGQTIOYRJOLJI-WCBMZHEXSA-N -1 0 333.750 3.198 20 30 EGEDRM C[C@H]1CC(=O)N(C)c2ccc(N[C@@H](C(=O)[O-])c3cccc(C#N)c3)cc21 ZINC001594198745 998769808 /nfs/dbraw/zinc/76/98/08/998769808.db2.gz OZAAUZGVNPIXMW-HXPMCKFVSA-N -1 0 349.390 3.266 20 30 EGEDRM C=C(C)CN(CC)C(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC000262629187 201205133 /nfs/dbraw/zinc/20/51/33/201205133.db2.gz FBIWOENRJOONRH-UHFFFAOYSA-N -1 0 326.190 3.186 20 30 EGEDRM O=C([O-])c1cc(C(=O)/C=C/c2nccn2CC(F)(F)F)cs1 ZINC000106586797 204205597 /nfs/dbraw/zinc/20/55/97/204205597.db2.gz QDAQAXTUVAZEDP-OWOJBTEDSA-N -1 0 330.287 3.101 20 30 EGEDRM Cc1onc(CC(=O)Nc2cc(Cl)c([O-])c(Cl)c2)c1C#N ZINC000354629261 141316568 /nfs/dbraw/zinc/31/65/68/141316568.db2.gz WOVKLHAIXOOBSE-UHFFFAOYSA-N -1 0 326.139 3.048 20 30 EGEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccccc1CSC ZINC000184889096 144100225 /nfs/dbraw/zinc/10/02/25/144100225.db2.gz GFEYMPPQAMVBPO-UHFFFAOYSA-N -1 0 348.449 3.231 20 30 EGEDRM N#Cc1nc(NC(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)[n-]c1C#N ZINC000108890072 162086876 /nfs/dbraw/zinc/08/68/76/162086876.db2.gz NHCFSDUVPARVGS-CABCVRRESA-N -1 0 327.347 3.048 20 30 EGEDRM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1nc(C2CC2)cs1 ZINC000114054008 162221308 /nfs/dbraw/zinc/22/13/08/162221308.db2.gz CHDYJMWXCWZJHJ-UHFFFAOYSA-N -1 0 339.829 3.346 20 30 EGEDRM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C)ccc1Cl ZINC000350872712 165076612 /nfs/dbraw/zinc/07/66/12/165076612.db2.gz WHVJVLHAROFRTG-UHFFFAOYSA-N -1 0 335.816 3.363 20 30 EGEDRM Cc1csc(-c2cccc(C(=O)N=c3[nH][n-]c(C4CC4)c3C#N)c2)n1 ZINC000359716024 167212960 /nfs/dbraw/zinc/21/29/60/167212960.db2.gz KWKVORWSYUOBPW-UHFFFAOYSA-N -1 0 349.419 3.265 20 30 EGEDRM Cc1coc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc(C#N)o3)c2)n1 ZINC000367928618 168285383 /nfs/dbraw/zinc/28/53/83/168285383.db2.gz SEGUDPBYQUATAL-UHFFFAOYSA-N -1 0 343.364 3.224 20 30 EGEDRM N#Cc1csc(CN=c2nc(Cc3ccc(F)cc3F)[n-]s2)c1 ZINC000461207370 270054720 /nfs/dbraw/zinc/05/47/20/270054720.db2.gz BUJRTDUWKINOFG-UHFFFAOYSA-N -1 0 348.403 3.374 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)cc1 ZINC000499516277 270058809 /nfs/dbraw/zinc/05/88/09/270058809.db2.gz UPAVQISYPQUFFJ-UHFFFAOYSA-N -1 0 341.417 3.483 20 30 EGEDRM CC1(C)Cc2cccc(S(=O)(=O)[N-]c3cccc(C#N)c3)c2O1 ZINC000195504060 266185200 /nfs/dbraw/zinc/18/52/00/266185200.db2.gz QZOOURSKOFKWFR-UHFFFAOYSA-N -1 0 328.393 3.073 20 30 EGEDRM COc1cc(SC)ccc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000193272700 266846477 /nfs/dbraw/zinc/84/64/77/266846477.db2.gz COINSTCJUMKOJK-UHFFFAOYSA-N -1 0 334.422 3.090 20 30 EGEDRM CN(CCCC(=O)[O-])C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000417799756 267305020 /nfs/dbraw/zinc/30/50/20/267305020.db2.gz XHFUAJYSFIAMCO-UHFFFAOYSA-N -1 0 333.388 3.064 20 30 EGEDRM CC(C)CCc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cn2)cc1 ZINC000110121896 275179992 /nfs/dbraw/zinc/17/99/92/275179992.db2.gz GODRAMTUPJWIPL-UHFFFAOYSA-N -1 0 329.425 3.343 20 30 EGEDRM Cc1cc(F)cc2c1ncc(C#N)c2N1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC000263086069 301307131 /nfs/dbraw/zinc/30/71/31/301307131.db2.gz BSPFEQJTZKCWMO-JQWIXIFHSA-N -1 0 327.359 3.101 20 30 EGEDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(C#N)ccc1C ZINC000063878448 307356173 /nfs/dbraw/zinc/35/61/73/307356173.db2.gz IIUKLRALRCFWHI-UHFFFAOYSA-N -1 0 345.380 3.138 20 30 EGEDRM N#Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000070269172 307376740 /nfs/dbraw/zinc/37/67/40/307376740.db2.gz CMROTFNRTTZPCC-UHFFFAOYSA-N -1 0 328.727 3.291 20 30 EGEDRM CC(C)(C)c1ccc(O)c([N-]S(=O)(=O)c2cccc(C#N)c2)c1 ZINC000078276120 307417225 /nfs/dbraw/zinc/41/72/25/307417225.db2.gz XDGIWKKEIZVKJZ-UHFFFAOYSA-N -1 0 330.409 3.362 20 30 EGEDRM C[C@H]1CCN(c2nc3c(cc2C#N)CCCC3(C)C)C[C@@H]1C(=O)[O-] ZINC000564971480 316239688 /nfs/dbraw/zinc/23/96/88/316239688.db2.gz MMTKPBGZULLQFK-WFASDCNBSA-N -1 0 327.428 3.114 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c3cccnc23)o1 ZINC000571556217 317215867 /nfs/dbraw/zinc/21/58/67/317215867.db2.gz MRVUEGRBHOJPDJ-UHFFFAOYSA-N -1 0 333.756 3.154 20 30 EGEDRM CC(C)(C)n1cc(C#N)c(=NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)[n-]1 ZINC000572583822 317360017 /nfs/dbraw/zinc/36/00/17/317360017.db2.gz QSGFOALGGIHJLG-LSDHHAIUSA-N -1 0 342.830 3.327 20 30 EGEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]c2cc(Cl)ccc2F)c(F)c1 ZINC000128334649 455046262 /nfs/dbraw/zinc/04/62/62/455046262.db2.gz AOZPMRAECDYJBQ-UHFFFAOYSA-N -1 0 346.717 3.430 20 30 EGEDRM N#Cc1cc(Br)ccc1N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000229155769 456125292 /nfs/dbraw/zinc/12/52/92/456125292.db2.gz OVTQYTUTJNMCNP-NSHDSACASA-N -1 0 337.217 3.402 20 30 EGEDRM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000230333191 456137686 /nfs/dbraw/zinc/13/76/86/456137686.db2.gz CDGWUYTUDLLGSW-UHFFFAOYSA-N -1 0 328.802 3.083 20 30 EGEDRM Cc1nsc(Sc2n[n-]c(=NC3CCCCC3)s2)c1C#N ZINC000329325103 456872841 /nfs/dbraw/zinc/87/28/41/456872841.db2.gz INDZBOHESHOKKN-UHFFFAOYSA-N -1 0 337.499 3.492 20 30 EGEDRM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)c3cccnc3)c2)c1 ZINC000238200462 455258453 /nfs/dbraw/zinc/25/84/53/455258453.db2.gz RBIYTVLXPZVBCY-UHFFFAOYSA-N -1 0 342.354 3.432 20 30 EGEDRM CCOc1ccc([N-]S(=O)(=O)c2ccccc2C#N)cc1OCC ZINC000016096191 453594845 /nfs/dbraw/zinc/59/48/45/453594845.db2.gz KFNXQWCAILFIMN-UHFFFAOYSA-N -1 0 346.408 3.156 20 30 EGEDRM C=CCN1C(=O)c2ccccc2N[C@@H]1c1ccc([O-])c([N+](=O)[O-])c1 ZINC000024034873 453722103 /nfs/dbraw/zinc/72/21/03/453722103.db2.gz XKEFJQFLSJSPIY-INIZCTEOSA-N -1 0 325.324 3.053 20 30 EGEDRM C=C(C)CNC(=O)C[C@@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000634940396 460618538 /nfs/dbraw/zinc/61/85/38/460618538.db2.gz CLNGYJRBVSHSEL-OAHLLOKOSA-N -1 0 330.211 3.418 20 30 EGEDRM Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C\c1ccc3c(c1)OCCO3)CC2 ZINC000075443341 453893511 /nfs/dbraw/zinc/89/35/11/453893511.db2.gz NYVGGGNGHBIJNT-WQLSENKSSA-N -1 0 340.331 3.270 20 30 EGEDRM N#CC(=C([O-])c1ccc2c(c1)OCCCO2)c1nc2ccccc2o1 ZINC000041544382 453971216 /nfs/dbraw/zinc/97/12/16/453971216.db2.gz QHQIOMBONLXJMM-ZDUSSCGKSA-N -1 0 334.331 3.479 20 30 EGEDRM N#Cc1nc(NC(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)[n-]c1C#N ZINC000069376600 454100186 /nfs/dbraw/zinc/10/01/86/454100186.db2.gz XPSOZNIEWCPYKL-IUCAKERBSA-N -1 0 346.177 3.202 20 30 EGEDRM CC(=O)Nc1ccc(S(=O)(=O)[N-]C(=O)C[C@H](C)CC(C)C)cc1 ZINC000070029142 454165452 /nfs/dbraw/zinc/16/54/52/454165452.db2.gz HOOZMDGLLUESMY-GFCCVEGCSA-N -1 0 340.445 3.363 20 30 EGEDRM CC(C)n1cc(C(=O)/C=C/c2cccc(OCCC(=O)[O-])c2)cn1 ZINC000058377637 454195285 /nfs/dbraw/zinc/19/52/85/454195285.db2.gz HOQXPTHJLXGARF-VOTSOKGWSA-N -1 0 328.368 3.214 20 30 EGEDRM N#CCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])c1ccccc1 ZINC000120990744 454375086 /nfs/dbraw/zinc/37/50/86/454375086.db2.gz ATISCVOTSYOCGR-AWEZNQCLSA-N -1 0 325.324 3.075 20 30 EGEDRM O=C(CCc1cscn1)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000073086859 454392744 /nfs/dbraw/zinc/39/27/44/454392744.db2.gz ZUIXXMZTVUQYHB-UHFFFAOYSA-N -1 0 336.847 3.136 20 30 EGEDRM N#CC(=C([O-])c1cc2occc2s1)c1nnc2n1CCCCC2 ZINC000606147743 460636780 /nfs/dbraw/zinc/63/67/80/460636780.db2.gz ZOBWLRCBEXECKZ-SNVBAGLBSA-N -1 0 326.381 3.302 20 30 EGEDRM N#CCCCS(=O)(=O)[N-]C(=O)c1ccc(-c2cccs2)s1 ZINC000097084327 454402719 /nfs/dbraw/zinc/40/27/19/454402719.db2.gz ALEXLDCYYADYLA-UHFFFAOYSA-N -1 0 340.451 3.415 20 30 EGEDRM CCOc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)CC)cc1OCC ZINC000048493965 454492998 /nfs/dbraw/zinc/49/29/98/454492998.db2.gz DWHAVTBNYAUFFG-LLVKDONJSA-N -1 0 329.418 3.175 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)N(C)[C@H](C)c2ccccc2)cc1C#N ZINC000073896074 454498490 /nfs/dbraw/zinc/49/84/90/454498490.db2.gz GBRBSNHYXDJPRI-LLVKDONJSA-N -1 0 327.409 3.214 20 30 EGEDRM Cc1cc(C(C#N)=C([O-])c2sccc2Br)nc(C)n1 ZINC000049406358 454547436 /nfs/dbraw/zinc/54/74/36/454547436.db2.gz UZYDHXYUJLEVSA-VIFPVBQESA-N -1 0 336.214 3.408 20 30 EGEDRM Cc1cc([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)n(CCC#N)n1 ZINC000066248061 454671445 /nfs/dbraw/zinc/67/14/45/454671445.db2.gz VOSWUYGWRSWWRF-UHFFFAOYSA-N -1 0 346.456 3.105 20 30 EGEDRM CCOc1cccnc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000093243579 454695870 /nfs/dbraw/zinc/69/58/70/454695870.db2.gz KAUVPSPRUFYIKC-NSHDSACASA-N -1 0 335.285 3.384 20 30 EGEDRM CCOc1ccccc1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000177993506 454925847 /nfs/dbraw/zinc/92/58/47/454925847.db2.gz BLOLFCBSCYVZIN-UHFFFAOYSA-N -1 0 336.800 3.411 20 30 EGEDRM CSc1ccc([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)cc1 ZINC000128431193 455055363 /nfs/dbraw/zinc/05/53/63/455055363.db2.gz PNMNTIMIDSPINQ-UHFFFAOYSA-N -1 0 340.376 3.359 20 30 EGEDRM C[C@@H](Sc1ccccc1C(=O)NCC#Cc1ccccc1)C(=O)[O-] ZINC000237370948 455178137 /nfs/dbraw/zinc/17/81/37/455178137.db2.gz ZVEHHNBDDJYFAO-CQSZACIVSA-N -1 0 339.416 3.033 20 30 EGEDRM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(F)cc2OC(F)F)c1 ZINC000172906827 455207602 /nfs/dbraw/zinc/20/76/02/455207602.db2.gz UFPKRCSJTOODLO-UHFFFAOYSA-N -1 0 342.298 3.100 20 30 EGEDRM N#CCCCOc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])c1 ZINC000157604427 455212365 /nfs/dbraw/zinc/21/23/65/455212365.db2.gz SDSPGAVGFDNRRS-UHFFFAOYSA-N -1 0 341.323 3.235 20 30 EGEDRM C[C@H](/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-])C(=O)OC1CCCC1 ZINC000175066238 455421306 /nfs/dbraw/zinc/42/13/06/455421306.db2.gz CUYXREQYHAXSHG-PCYPHTAMSA-N -1 0 340.763 3.247 20 30 EGEDRM Cc1c(C([O-])=C(C#N)c2nc3ccccc3n2C)oc2c1C(=O)CCC2 ZINC000194086143 455799828 /nfs/dbraw/zinc/79/98/28/455799828.db2.gz WFYAPMXYQSYBTN-LBPRGKRZSA-N -1 0 347.374 3.484 20 30 EGEDRM CC(=NNc1cccc(C(=O)[O-])c1)c1cccc(N2CCOC2=O)c1 ZINC000252475362 455806334 /nfs/dbraw/zinc/80/63/34/455806334.db2.gz ZAXZUIOEGVYFQI-UHFFFAOYSA-N -1 0 339.351 3.178 20 30 EGEDRM CC(C)(C)c1cccc([N-]S(=O)(=O)c2cccc(C#N)c2)c1O ZINC000187082776 455868722 /nfs/dbraw/zinc/86/87/22/455868722.db2.gz VTQWPLWAXZECDT-UHFFFAOYSA-N -1 0 330.409 3.362 20 30 EGEDRM Cc1ccc(NC(=O)C(C)C)cc1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000188307631 456041157 /nfs/dbraw/zinc/04/11/57/456041157.db2.gz VMKLWMHDUITDBX-UHFFFAOYSA-N -1 0 337.379 3.419 20 30 EGEDRM C=CCC[C@H](NC(=O)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000262932898 456069544 /nfs/dbraw/zinc/06/95/44/456069544.db2.gz PCHLWLIWBLIVJC-IHRRRGAJSA-N -1 0 341.329 3.345 20 30 EGEDRM C=CCOCCCC(=O)N[C@H](C[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC000263107041 456095065 /nfs/dbraw/zinc/09/50/65/456095065.db2.gz RNKFQWBICYHQGP-SJLPKXTDSA-N -1 0 345.439 3.049 20 30 EGEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)nn1CCC#N ZINC000271066724 456116861 /nfs/dbraw/zinc/11/68/61/456116861.db2.gz MYGYARMZRRKNHU-UHFFFAOYSA-N -1 0 332.429 3.029 20 30 EGEDRM C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H](C)[C@H](C)C(=O)[O-] ZINC000263485196 456156394 /nfs/dbraw/zinc/15/63/94/456156394.db2.gz VJUBNWSYQBZYOW-UWVGGRQHSA-N -1 0 345.317 3.109 20 30 EGEDRM N#Cc1cnc2c(F)cc(F)cc2c1NC1CCC(C(=O)[O-])CC1 ZINC000263543855 456163383 /nfs/dbraw/zinc/16/33/83/456163383.db2.gz FNXWTYLSZOCEHX-UHFFFAOYSA-N -1 0 331.322 3.440 20 30 EGEDRM COC[C@@H](/N=C/c1c(O)c(C)ncc1CO)c1cccc(Cl)c1 ZINC000289894360 456171656 /nfs/dbraw/zinc/17/16/56/456171656.db2.gz JUCFXFFZYUVLJJ-YSNFCQRUSA-N -1 0 334.803 3.048 20 30 EGEDRM N#C[C@H]1CCC[C@@H]1NC(=O)c1cc(Cl)cc(Br)c1[O-] ZINC000334091105 456299865 /nfs/dbraw/zinc/29/98/65/456299865.db2.gz YSTXMPGMOCSCQO-HQJQHLMTSA-N -1 0 343.608 3.230 20 30 EGEDRM C[C@@H](COCC(F)(F)F)/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000299313429 456655123 /nfs/dbraw/zinc/65/51/23/456655123.db2.gz VOVRHSRVHPYJBG-HJHUVIRGSA-N -1 0 340.685 3.340 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cccc(C(C)=O)c2)n1 ZINC000340884263 456739800 /nfs/dbraw/zinc/73/98/00/456739800.db2.gz UUPGQJXNPZGZBJ-CYBMUJFWSA-N -1 0 342.376 3.012 20 30 EGEDRM CCc1oc(C([O-])=C(C#N)c2nc3ccccc3o2)cc1C(=O)OC ZINC000338581203 456842693 /nfs/dbraw/zinc/84/26/93/456842693.db2.gz GJIMPJGSAOBMPG-LLVKDONJSA-N -1 0 338.319 3.260 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)NC[C@@H]2C[C@H]2C2CCCCC2)cc1C#N ZINC000329361349 456879277 /nfs/dbraw/zinc/87/92/77/456879277.db2.gz YLASAALPQSTMSI-KBPBESRZSA-N -1 0 345.468 3.327 20 30 EGEDRM Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1ccc(F)cc1C#N ZINC000353815524 456919934 /nfs/dbraw/zinc/91/99/34/456919934.db2.gz NAZSJQXNTLJBMF-UHFFFAOYSA-N -1 0 341.367 3.355 20 30 EGEDRM CC(C)(C)n1cc(C#N)c(=NC(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)[n-]1 ZINC000329660170 456923101 /nfs/dbraw/zinc/92/31/01/456923101.db2.gz OJRFNILMPBZIEV-VNQPRFMTSA-N -1 0 328.460 3.477 20 30 EGEDRM CCC(CC)n1nc(C([O-])=C(C#N)c2cc(C)nc(C)n2)cc1C ZINC000345661294 456986249 /nfs/dbraw/zinc/98/62/49/456986249.db2.gz LNZOKLTUFGUCPX-OAHLLOKOSA-N -1 0 325.416 3.450 20 30 EGEDRM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(F)cc1C#N ZINC000362871172 457134314 /nfs/dbraw/zinc/13/43/14/457134314.db2.gz CFFLIFXXGBWRPN-UHFFFAOYSA-N -1 0 340.763 3.160 20 30 EGEDRM N#CC(=C([O-])c1csc(Cc2cccc(F)c2)n1)c1ccncn1 ZINC000354457035 457235052 /nfs/dbraw/zinc/23/50/52/457235052.db2.gz CCYOLUDFWOKLJC-ZDUSSCGKSA-N -1 0 338.367 3.153 20 30 EGEDRM N#CC(=C([O-])c1cnn(-c2ccccc2)c1C1CC1)c1ccncn1 ZINC000354466109 457240740 /nfs/dbraw/zinc/24/07/40/457240740.db2.gz MJBBIQNOAAJCNR-OAHLLOKOSA-N -1 0 329.363 3.030 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cn2)o1 ZINC000342464663 457317476 /nfs/dbraw/zinc/31/74/76/457317476.db2.gz KFZBDGLPKYOUJB-UHFFFAOYSA-N -1 0 325.349 3.014 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ncc(-c3ccccc3)s2)o1 ZINC000342466441 457318488 /nfs/dbraw/zinc/31/84/88/457318488.db2.gz QRWMYCOYYPZGTP-UHFFFAOYSA-N -1 0 331.378 3.076 20 30 EGEDRM CCc1nc(C)c([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)s1 ZINC000360800945 457360818 /nfs/dbraw/zinc/36/08/18/457360818.db2.gz JFUTYWOAUXFGDE-UHFFFAOYSA-N -1 0 341.845 3.340 20 30 EGEDRM N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CC[C@@H]3CCC[C@H]3C2)c(F)c1 ZINC000342611282 457401010 /nfs/dbraw/zinc/40/10/10/457401010.db2.gz XIHBJDGSAXMALM-RWMBFGLXSA-N -1 0 340.395 3.084 20 30 EGEDRM N#CC[C@H](CC(=O)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1)c1ccccc1 ZINC000356023967 457440259 /nfs/dbraw/zinc/44/02/59/457440259.db2.gz MLWVTZMZPBUEKV-CQSZACIVSA-N -1 0 347.378 3.203 20 30 EGEDRM C=CCCC[C@@H](C)NC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000398238904 457496302 /nfs/dbraw/zinc/49/63/02/457496302.db2.gz XUQKCHQPZPVGCM-CXAGYDPISA-N -1 0 343.427 3.208 20 30 EGEDRM Cc1cc2c[nH]nc2c(C([O-])=C(C#N)c2cnc3ccccc3n2)c1 ZINC000361541068 457782514 /nfs/dbraw/zinc/78/25/14/457782514.db2.gz LPGFPACJENZBJW-CQSZACIVSA-N -1 0 327.347 3.305 20 30 EGEDRM CC[C@H](C)[C@H]([N-]S(=O)(=O)CC1(C#N)CCCCC1)C(F)(F)F ZINC000443926369 457826027 /nfs/dbraw/zinc/82/60/27/457826027.db2.gz GLIUYRGRRXPRRF-RYUDHWBXSA-N -1 0 340.411 3.357 20 30 EGEDRM Cc1nn(C)c(Sc2ccccc2)c1C([O-])=C(C#N)c1ccncn1 ZINC000362289649 458084286 /nfs/dbraw/zinc/08/42/86/458084286.db2.gz WXCKLJHBLYWLBT-AWEZNQCLSA-N -1 0 349.419 3.160 20 30 EGEDRM CC(C)(C)[C@@H](NS(=O)(=O)c1cccnc1C#N)c1ccccc1 ZINC000428233039 458101719 /nfs/dbraw/zinc/10/17/19/458101719.db2.gz XAWCHYVTKJFGST-INIZCTEOSA-N -1 0 329.425 3.019 20 30 EGEDRM CC(C)(CC#N)CNC(=O)C[C@@](C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000414094717 458314256 /nfs/dbraw/zinc/31/42/56/458314256.db2.gz GVIGFUVBFWHUJG-QGZVFWFLSA-N -1 0 336.819 3.128 20 30 EGEDRM C=CC[C@@H]1N(C(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)CCCC1(C)C ZINC000447621313 458323028 /nfs/dbraw/zinc/32/30/28/458323028.db2.gz ULCCJTDBLHVRLT-HNNXBMFYSA-N -1 0 341.411 3.237 20 30 EGEDRM N#CC1(CNC(=O)N=c2[n-]nc(-c3cccc(Cl)c3)s2)CCC1 ZINC000417005993 458359174 /nfs/dbraw/zinc/35/91/74/458359174.db2.gz JGDGVUIGHPONMW-UHFFFAOYSA-N -1 0 347.831 3.096 20 30 EGEDRM N#CC1(CNC(=O)N=c2nc(-c3ccccc3Cl)[n-]s2)CCC1 ZINC000417000093 458359241 /nfs/dbraw/zinc/35/92/41/458359241.db2.gz ULBAOGUATGZQDM-UHFFFAOYSA-N -1 0 347.831 3.096 20 30 EGEDRM C=CCC[C@H](NC(=O)c1csc(CCc2ccccc2)n1)C(=O)[O-] ZINC000448990524 458418182 /nfs/dbraw/zinc/41/81/82/458418182.db2.gz HFJNKRVESGBEKV-AWEZNQCLSA-N -1 0 344.436 3.078 20 30 EGEDRM N#CC1(CSc2n[n-]c(=NCCc3cccs3)s2)CCC1 ZINC000450759425 458456437 /nfs/dbraw/zinc/45/64/37/458456437.db2.gz PZWQMRIHXYJJOI-UHFFFAOYSA-N -1 0 336.511 3.462 20 30 EGEDRM COC(=O)c1ccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)o1 ZINC000430602465 458470333 /nfs/dbraw/zinc/47/03/33/458470333.db2.gz LEAFYPGMMQKYDC-VIFPVBQESA-N -1 0 332.381 3.310 20 30 EGEDRM N#CCCC[C@@H]([NH3+])C(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000424173265 458577428 /nfs/dbraw/zinc/57/74/28/458577428.db2.gz OFCHRDJMNGWBHT-MRVPVSSYSA-N -1 0 336.606 3.312 20 30 EGEDRM CC(C)C[C@@H](CNC(=O)Nc1cc(C#N)ccc1OC(C)C)C(=O)[O-] ZINC000424476352 458647924 /nfs/dbraw/zinc/64/79/24/458647924.db2.gz UGSYZVKYBNIHFW-AWEZNQCLSA-N -1 0 347.415 3.214 20 30 EGEDRM COCc1ccc([N-]S(=O)(=O)c2cc(C)sc2C)cc1C#N ZINC000530145838 458695905 /nfs/dbraw/zinc/69/59/05/458695905.db2.gz WLLSTARETRMMIH-UHFFFAOYSA-N -1 0 336.438 3.184 20 30 EGEDRM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(F)c1F ZINC000439627545 458733841 /nfs/dbraw/zinc/73/38/41/458733841.db2.gz VNSORVVIRVHJJU-UHFFFAOYSA-N -1 0 337.351 3.069 20 30 EGEDRM CC(C)(C#N)c1ccc(NC(=O)N2CCC[C@@H](CC(=O)[O-])C2)cc1 ZINC000514663080 458800299 /nfs/dbraw/zinc/80/02/99/458800299.db2.gz POWDSHYLUSDNTD-ZDUSSCGKSA-N -1 0 329.400 3.206 20 30 EGEDRM C=CCC[C@@H](NS(=O)(=O)c1ccccc1-c1ccccc1)C(=O)[O-] ZINC000517271132 458827917 /nfs/dbraw/zinc/82/79/17/458827917.db2.gz GAAKJTGKINEDTJ-MRXNPFEDSA-N -1 0 345.420 3.051 20 30 EGEDRM Cc1c([N-]S(=O)(=O)c2ccc(C#N)cc2C)cnn1CCC(C)C ZINC000440826782 458858407 /nfs/dbraw/zinc/85/84/07/458858407.db2.gz NWBKTXQWAVPGJH-UHFFFAOYSA-N -1 0 346.456 3.219 20 30 EGEDRM C=C(C)C[C@H](C)C(=O)N=c1nc(Cc2ccc(F)cc2F)[n-]s1 ZINC000466738191 458917597 /nfs/dbraw/zinc/91/75/97/458917597.db2.gz RFKWPXXMXAEWMH-JTQLQIEISA-N -1 0 337.395 3.370 20 30 EGEDRM Cc1nn2cccnc2c1C([O-])=C(C#N)c1ccc2ccccc2n1 ZINC000590208069 459101260 /nfs/dbraw/zinc/10/12/60/459101260.db2.gz MPBBCPMXSYNCSX-AWEZNQCLSA-N -1 0 327.347 3.076 20 30 EGEDRM C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1c(=O)[nH][n-]c1-c1ccccc1 ZINC000590398931 459123827 /nfs/dbraw/zinc/12/38/27/459123827.db2.gz CBAFLMLASAZLJO-GFCCVEGCSA-N -1 0 348.362 3.060 20 30 EGEDRM C=CCC[C@H](NC(=O)Nc1cccc(-c2nc(C)c(C)o2)c1)C(=O)[O-] ZINC000578840785 459239499 /nfs/dbraw/zinc/23/94/99/459239499.db2.gz MSTRCPDLAXRJAM-HNNXBMFYSA-N -1 0 343.383 3.499 20 30 EGEDRM C=CCC[C@@H](NC(=O)N[C@@H]1CCSc2c(F)cccc21)C(=O)[O-] ZINC000579681186 459250460 /nfs/dbraw/zinc/25/04/60/459250460.db2.gz USBKEWLKAMOMPW-CHWSQXEVSA-N -1 0 338.404 3.081 20 30 EGEDRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N(CCC#N)C(C)C)n2)c1 ZINC000559376422 459257120 /nfs/dbraw/zinc/25/71/20/459257120.db2.gz IKKAGJBITCKJFF-UHFFFAOYSA-N -1 0 340.427 3.466 20 30 EGEDRM C=CCC[C@H](NC(=O)Nc1ccc(C)c(OC(F)F)c1)C(=O)[O-] ZINC000580409674 459259797 /nfs/dbraw/zinc/25/97/97/459259797.db2.gz CQPXFFQWZICJLO-NSHDSACASA-N -1 0 328.315 3.137 20 30 EGEDRM C=CCCCS(=O)(=O)N[C@H](CC(=O)[O-])c1ccc(C(C)C)cc1 ZINC000581643748 459276411 /nfs/dbraw/zinc/27/64/11/459276411.db2.gz DMYLVRPBHQPEAU-MRXNPFEDSA-N -1 0 339.457 3.211 20 30 EGEDRM CC(C)(CC#N)CNC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000591269810 459345010 /nfs/dbraw/zinc/34/50/10/459345010.db2.gz JFDIXVNRGQVAPM-UHFFFAOYSA-N -1 0 343.427 3.214 20 30 EGEDRM C=CCC[C@H](NC(=O)Nc1ccc2oc(C3CC3)nc2c1)C(=O)[O-] ZINC000560487151 459356833 /nfs/dbraw/zinc/35/68/33/459356833.db2.gz SXZZLWLRGZFKOU-LBPRGKRZSA-N -1 0 329.356 3.246 20 30 EGEDRM C=CCOc1ccc(CN=c2[n-]nc(C(C)(C)C)s2)cc1OC ZINC000537506328 459366348 /nfs/dbraw/zinc/36/63/48/459366348.db2.gz LNBCFUZYTVHUKP-UHFFFAOYSA-N -1 0 333.457 3.443 20 30 EGEDRM N#CC(=C([O-])c1cc2n(n1)CCCC2)c1nc(-c2ccncc2)cs1 ZINC000569559646 459471853 /nfs/dbraw/zinc/47/18/53/459471853.db2.gz IQJKXRVLNFDNGE-CQSZACIVSA-N -1 0 349.419 3.228 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)N2CC3(CCCC3)[C@@H]2C(C)C)cc1C#N ZINC000583737431 459589330 /nfs/dbraw/zinc/58/93/30/459589330.db2.gz WXXCPYRMMWAZIW-AWEZNQCLSA-N -1 0 345.468 3.422 20 30 EGEDRM C=CCC[C@H](NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000565692630 459787067 /nfs/dbraw/zinc/78/70/67/459787067.db2.gz ZUEIDQBXJVXOCD-KRWDZBQOSA-N -1 0 345.420 3.051 20 30 EGEDRM Cc1cc([N-]S(=O)(=O)CCC(C)(C)C#N)nn1C1CCCCC1 ZINC000593216081 459809824 /nfs/dbraw/zinc/80/98/24/459809824.db2.gz TUIQFGGWBAAECD-UHFFFAOYSA-N -1 0 338.477 3.378 20 30 EGEDRM CCC(C#N)(CC)C(=O)[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000528985038 459819567 /nfs/dbraw/zinc/81/95/67/459819567.db2.gz MLDLUOBIVGJLHM-UHFFFAOYSA-N -1 0 349.239 3.128 20 30 EGEDRM Cc1[n-][nH]c(=NC(=O)c2ccccc2SCc2ccco2)c1C#N ZINC000588714858 459973764 /nfs/dbraw/zinc/97/37/64/459973764.db2.gz DTHQYQQNRGRURH-UHFFFAOYSA-N -1 0 338.392 3.149 20 30 EGEDRM C[C@@H](C(=O)N=c1[nH][n-]c(C2CC2)c1C#N)c1ccccc1C(F)(F)F ZINC000588767341 459980003 /nfs/dbraw/zinc/98/00/03/459980003.db2.gz PJICZDHZLKXLKF-SECBINFHSA-N -1 0 348.328 3.342 20 30 EGEDRM CCn1ncc(Cl)c1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000621720346 460027259 /nfs/dbraw/zinc/02/72/59/460027259.db2.gz VLTIZANKXOEMAV-SECBINFHSA-N -1 0 342.708 3.460 20 30 EGEDRM CC(C)(C)n1cc(C#N)c(=NC(=O)c2ccc(C(F)F)cc2F)[n-]1 ZINC000593989281 460042602 /nfs/dbraw/zinc/04/26/02/460042602.db2.gz MSBUNJGXEIAUAN-UHFFFAOYSA-N -1 0 336.317 3.261 20 30 EGEDRM CC(C)(C)n1cc(C#N)c(=NC(=O)[C@H]2CC[C@H](C3CCC3)CC2)[n-]1 ZINC000598817637 460049932 /nfs/dbraw/zinc/04/99/32/460049932.db2.gz VMJWLIRQLDHCFO-SHTZXODSSA-N -1 0 328.460 3.477 20 30 EGEDRM Cc1ccc(Sc2nc(=NC(=O)NCC(C)(C)C#N)s[n-]2)cc1 ZINC000589344058 460077233 /nfs/dbraw/zinc/07/72/33/460077233.db2.gz QPNWCTPUQIXDCA-UHFFFAOYSA-N -1 0 347.469 3.091 20 30 EGEDRM Cc1occc1-c1cc([N-]S(=O)(=O)c2cccc(CC#N)c2)no1 ZINC000589592696 460106915 /nfs/dbraw/zinc/10/69/15/460106915.db2.gz VAPLVLMBXRYJII-UHFFFAOYSA-N -1 0 343.364 3.110 20 30 EGEDRM Cc1cc([N+](=O)[O-])c(C)cc1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000589590950 460107445 /nfs/dbraw/zinc/10/74/45/460107445.db2.gz HHQLIJAZVGQUED-UHFFFAOYSA-N -1 0 345.380 3.079 20 30 EGEDRM Cc1cccc([C@@H]2CCCCCN2C(=O)N=c2[n-]n(C)cc2C#N)c1 ZINC000610561950 460183960 /nfs/dbraw/zinc/18/39/60/460183960.db2.gz GNYXEDLCONVVKY-KRWDZBQOSA-N -1 0 337.427 3.171 20 30 EGEDRM N#Cc1ccc(CNC(=O)C[C@@H](C(=O)[O-])c2ccccc2)cc1Cl ZINC000619743223 460428148 /nfs/dbraw/zinc/42/81/48/460428148.db2.gz KRRMVLRZCSOLHU-OAHLLOKOSA-N -1 0 342.782 3.086 20 30 EGEDRM Cc1nocc1S(=O)(=O)[N-]c1ccccc1S[C@@H](C)CC#N ZINC000601975831 460967044 /nfs/dbraw/zinc/96/70/44/460967044.db2.gz KTVHFSJXYQVMFG-JTQLQIEISA-N -1 0 337.426 3.178 20 30 EGEDRM CC(C)(CCC#N)CNC(=O)C[C@@]1(C(=O)[O-])CCCc2ccccc21 ZINC000601980910 460968704 /nfs/dbraw/zinc/96/87/04/460968704.db2.gz BORSHOBBNVSWCC-FQEVSTJZSA-N -1 0 342.439 3.182 20 30 EGEDRM C=C(C)[C@H](NC(=O)[C@@H](C)S[C@@H](C)C(=O)[O-])c1ccc(F)c(F)c1 ZINC000601993006 460975671 /nfs/dbraw/zinc/97/56/71/460975671.db2.gz RXLLIDGDVHYCLZ-BFVZDQMLSA-N -1 0 343.395 3.293 20 30 EGEDRM C=CC[C@H]1CCCN(C(=O)c2nn(-c3ccc(F)cc3C)cc2[O-])C1 ZINC000617782475 460976021 /nfs/dbraw/zinc/97/60/21/460976021.db2.gz GIIPHJNRKQCZGC-AWEZNQCLSA-N -1 0 343.402 3.454 20 30 EGEDRM C=CCC[C@H](NC(=O)N[C@@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000654803267 462387067 /nfs/dbraw/zinc/38/70/67/462387067.db2.gz YKHSCSPVSVPKGW-GWCFXTLKSA-N -1 0 344.333 3.485 20 30 EGEDRM Cn1cc(C([O-])=C(C#N)c2nc3ccccc3o2)c(-c2ccncc2)n1 ZINC000681352997 549985572 /nfs/dbraw/zinc/98/55/72/549985572.db2.gz FKLCSDCWLDRIQL-CYBMUJFWSA-N -1 0 343.346 3.113 20 30 EGEDRM Cc1ccc(N(CCC#N)C(=O)[C@H](C)S[C@@H](C)CC(=O)[O-])cc1 ZINC000738281230 574561236 /nfs/dbraw/zinc/56/12/36/574561236.db2.gz XARGQXUKNBVODY-KBPBESRZSA-N -1 0 334.441 3.227 20 30 EGEDRM C=CCNC(=O)C(C#N)=C([O-])c1csc(-c2ccccc2Cl)n1 ZINC000727627714 574678349 /nfs/dbraw/zinc/67/83/49/574678349.db2.gz PJNHRIMNYSLCFL-NSHDSACASA-N -1 0 345.811 3.088 20 30 EGEDRM Cc1c(NN=Cc2ccc(OCCC(=O)[O-])cc2)cccc1[N+](=O)[O-] ZINC000727973509 574707849 /nfs/dbraw/zinc/70/78/49/574707849.db2.gz OTDLNINEYHBXEJ-UHFFFAOYSA-N -1 0 343.339 3.203 20 30 EGEDRM Cc1cc(C(=O)/C=C\c2ccc(OCCC(=O)[O-])cc2)ccc1O ZINC000728231621 574731967 /nfs/dbraw/zinc/73/19/67/574731967.db2.gz MGCDLWNGSRTZPC-YWEYNIOJSA-N -1 0 326.348 3.450 20 30 EGEDRM CCOC(=O)C1(C/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])CCC1 ZINC000740763778 574815815 /nfs/dbraw/zinc/81/58/15/574815815.db2.gz OYNGMHJCHDQKBG-IUXPMGMMSA-N -1 0 340.763 3.106 20 30 EGEDRM C#CCOc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000730996902 575042980 /nfs/dbraw/zinc/04/29/80/575042980.db2.gz ZWQRBBKAHTVTFL-UHFFFAOYSA-N -1 0 339.775 3.292 20 30 EGEDRM Cc1ccccc1[C@@H](O)C/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000732714112 575284175 /nfs/dbraw/zinc/28/41/75/575284175.db2.gz RDCFLODTLCHEKA-VHXYRJIDSA-N -1 0 334.759 3.415 20 30 EGEDRM COc1ccc(C)cc1C(=O)/C=C\c1cccc(OCC(=O)[O-])c1 ZINC000733206945 575320696 /nfs/dbraw/zinc/32/06/96/575320696.db2.gz TVADAKLFQZQDLR-FPLPWBNLSA-N -1 0 326.348 3.363 20 30 EGEDRM C#CCOc1ccc(C(=O)Nc2sc(C)c(C)c2C(=O)[O-])cc1 ZINC000736089554 575898026 /nfs/dbraw/zinc/89/80/26/575898026.db2.gz MUYAMLSIJUOSLL-UHFFFAOYSA-N -1 0 329.377 3.327 20 30 EGEDRM C#CCOc1ccc(F)cc1NC(=O)c1ccc(NC(=O)[O-])cc1 ZINC000736089799 575898184 /nfs/dbraw/zinc/89/81/84/575898184.db2.gz QHRGFUNSHYLMDT-UHFFFAOYSA-N -1 0 328.299 3.180 20 30 EGEDRM C#Cc1cccc(N(C(C)C)S(=O)(=O)c2ccc(C(=O)[O-])s2)c1 ZINC000736091387 575898464 /nfs/dbraw/zinc/89/84/64/575898464.db2.gz QMMXEWINLFHPFK-UHFFFAOYSA-N -1 0 349.433 3.031 20 30 EGEDRM C#Cc1cccc(NC(=O)NC[C@H](Cc2cccc(C)c2)C(=O)[O-])c1 ZINC000736091052 575898522 /nfs/dbraw/zinc/89/85/22/575898522.db2.gz NGOONONITFENQS-KRWDZBQOSA-N -1 0 336.391 3.041 20 30 EGEDRM C=CCOc1ccccc1CNC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000736114059 575900272 /nfs/dbraw/zinc/90/02/72/575900272.db2.gz KEFHGMHNFYJDTF-UHFFFAOYSA-N -1 0 326.352 3.271 20 30 EGEDRM CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2ccc(C(=O)[O-])nc2)cc1 ZINC000736296700 575928954 /nfs/dbraw/zinc/92/89/54/575928954.db2.gz IJIMGEBVXYPVIU-MRXNPFEDSA-N -1 0 337.379 3.072 20 30 EGEDRM C[C@H](Cc1ccc(F)cc1)C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736621571 575994452 /nfs/dbraw/zinc/99/44/52/575994452.db2.gz CTZXZNHGZFACFX-PXAZEXFGSA-N -1 0 341.338 3.245 20 30 EGEDRM C[C@@H](OC(=O)c1cc2ccccc2n1CC#N)c1ccc(C(=O)[O-])o1 ZINC000736692889 576007767 /nfs/dbraw/zinc/00/77/67/576007767.db2.gz YHGKGMCWKFOXMD-LLVKDONJSA-N -1 0 338.319 3.374 20 30 EGEDRM CCSc1nnc(S[C@H](C(=O)[O-])c2ccc(C#N)cc2)s1 ZINC000737229772 576139865 /nfs/dbraw/zinc/13/98/65/576139865.db2.gz OXXZBCQRISICKN-JTQLQIEISA-N -1 0 337.451 3.440 20 30 EGEDRM CCc1sc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1C ZINC000737292675 576199981 /nfs/dbraw/zinc/19/99/81/576199981.db2.gz VAWDQFTWAWRIGJ-OAHLLOKOSA-N -1 0 329.377 3.473 20 30 EGEDRM CN(C(=O)CNc1ccc(F)c(NC(=O)[O-])c1)C1(C#N)CCCCC1 ZINC000737321215 576205149 /nfs/dbraw/zinc/20/51/49/576205149.db2.gz CFKUMNFABPJDJG-UHFFFAOYSA-N -1 0 348.378 3.012 20 30 EGEDRM CN(C(=O)CNc1cc(Cl)cc(C(=O)[O-])c1)C1(C#N)CCCCC1 ZINC000737322605 576205581 /nfs/dbraw/zinc/20/55/81/576205581.db2.gz PPHRZYHKTAOIEB-UHFFFAOYSA-N -1 0 349.818 3.135 20 30 EGEDRM CN(Cc1ccc(NC(=O)CCc2ccc(C#N)cc2)cc1)C(=O)[O-] ZINC000737477690 576235494 /nfs/dbraw/zinc/23/54/94/576235494.db2.gz FKZKKHTZNWOBIW-UHFFFAOYSA-N -1 0 337.379 3.239 20 30 EGEDRM COCCOc1cccc(F)c1C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC000737821591 576265309 /nfs/dbraw/zinc/26/53/09/576265309.db2.gz PJPGAIZBVMUMBR-ALCCZGGFSA-N -1 0 334.299 3.038 20 30 EGEDRM N#Cc1cc(NC(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)ccc1F ZINC000738426396 576324269 /nfs/dbraw/zinc/32/42/69/576324269.db2.gz ZNPSHODENPBHDO-OAHLLOKOSA-N -1 0 345.305 3.174 20 30 EGEDRM Cc1cc(NCC(=O)Nc2ccc(C#N)c(Cl)c2)ccc1C(=O)[O-] ZINC000738458415 576328443 /nfs/dbraw/zinc/32/84/43/576328443.db2.gz IDVWLSNMPVIGMM-UHFFFAOYSA-N -1 0 343.770 3.269 20 30 EGEDRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H]1CCCN1c1ccc(C#N)cc1 ZINC000738525248 576334847 /nfs/dbraw/zinc/33/48/47/576334847.db2.gz JAKXPJQJCSKLFV-GOSISDBHSA-N -1 0 349.390 3.172 20 30 EGEDRM Cc1ccc([C@H](CNc2c(C#N)nnc3ccccc32)C(=O)[O-])cc1 ZINC000738567385 576337584 /nfs/dbraw/zinc/33/75/84/576337584.db2.gz DTLABXOOPJLLMP-HNNXBMFYSA-N -1 0 332.363 3.090 20 30 EGEDRM Cc1ccc(N=C2NN=C(c3cc(C(=O)[O-])co3)CS2)c(C)c1 ZINC000738627700 576343605 /nfs/dbraw/zinc/34/36/05/576343605.db2.gz JWNSIOJWFMTZSL-UHFFFAOYSA-N -1 0 329.381 3.323 20 30 EGEDRM Cc1ccc2c(CC(=O)O[C@@H](C(=O)[O-])c3ccc(C#N)cc3)c[nH]c2c1 ZINC000738663832 576347767 /nfs/dbraw/zinc/34/77/67/576347767.db2.gz FHGQZOCVMWWTBZ-LJQANCHMSA-N -1 0 348.358 3.260 20 30 EGEDRM Cc1cccc(C[C@H](CNc2c(C#N)nnc3ccccc32)C(=O)[O-])c1 ZINC000738708502 576353413 /nfs/dbraw/zinc/35/34/13/576353413.db2.gz WDDBWSIPZUZGLX-OAHLLOKOSA-N -1 0 346.390 3.165 20 30 EGEDRM Cc1cccc2[nH]c([C@@H](C#N)C(=O)CCc3ccc(C(=O)[O-])cc3)nc21 ZINC000738747280 576358756 /nfs/dbraw/zinc/35/87/56/576358756.db2.gz RIDKUFFBISOBDE-HNNXBMFYSA-N -1 0 347.374 3.379 20 30 EGEDRM Cc1nc2ccccc2cc1C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000738875580 576366820 /nfs/dbraw/zinc/36/68/20/576366820.db2.gz QXALTDFBABWYTQ-SFHVURJKSA-N -1 0 346.342 3.398 20 30 EGEDRM N#CCn1c(C(=O)O[C@H](C(=O)[O-])c2ccccc2)cc2ccccc21 ZINC000739091799 576377488 /nfs/dbraw/zinc/37/74/88/576377488.db2.gz BQJZMCNPXXIWQE-KRWDZBQOSA-N -1 0 334.331 3.148 20 30 EGEDRM N#Cc1ccc([C@@H](OC(=O)CCc2cccc(F)c2F)C(=O)[O-])cc1 ZINC000739107279 576378299 /nfs/dbraw/zinc/37/82/99/576378299.db2.gz AGXHGTLDYNTERN-QGZVFWFLSA-N -1 0 345.301 3.138 20 30 EGEDRM N#Cc1ccc([C@@H](OC(=O)c2ccc3ncccc3c2)C(=O)[O-])cc1 ZINC000739114005 576378622 /nfs/dbraw/zinc/37/86/22/576378622.db2.gz FGAMVDNJTBCASS-QGZVFWFLSA-N -1 0 332.315 3.089 20 30 EGEDRM N#Cc1ccc([C@@H](Sc2nccc(C(F)(F)F)n2)C(=O)[O-])cc1 ZINC000739117009 576378806 /nfs/dbraw/zinc/37/88/06/576378806.db2.gz HHEAXMCYOOAVJZ-LLVKDONJSA-N -1 0 339.298 3.285 20 30 EGEDRM CC(=NN=c1cc[nH]c(N(C)C)n1)c1ccc(Cl)c(Cl)c1[O-] ZINC000739411845 576408739 /nfs/dbraw/zinc/40/87/39/576408739.db2.gz RGHPMKKVIHJTAH-UHFFFAOYSA-N -1 0 340.214 3.391 20 30 EGEDRM O=C([O-])c1ccc(/C=C2/Oc3ccc(Br)cc3C2=O)o1 ZINC000740122448 576551408 /nfs/dbraw/zinc/55/14/08/576551408.db2.gz FEMGGHSATCEKLW-WUXMJOGZSA-N -1 0 335.109 3.357 20 30 EGEDRM C=CC[C@H](NC(=O)c1nn(-c2ccccc2)cc1[O-])c1ccncc1 ZINC000743415081 576808887 /nfs/dbraw/zinc/80/88/87/576808887.db2.gz LUMRMMMKIAFXAZ-INIZCTEOSA-N -1 0 334.379 3.020 20 30 EGEDRM N#Cc1ccc(F)c(CNC(=O)c2cccc(Br)c2[O-])c1 ZINC000743726806 576815324 /nfs/dbraw/zinc/81/53/24/576815324.db2.gz MIJYYACMIZGPCK-UHFFFAOYSA-N -1 0 349.159 3.095 20 30 EGEDRM CC[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)C(=O)[O-] ZINC000818289949 597199618 /nfs/dbraw/zinc/19/96/18/597199618.db2.gz PHGMEBOIJOCDPN-DLBZAZTESA-N -1 0 337.379 3.327 20 30 EGEDRM C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000820102488 597604282 /nfs/dbraw/zinc/60/42/82/597604282.db2.gz YDXJHDKNRVXGTG-PSLIRLAXSA-N -1 0 343.210 3.045 20 30 EGEDRM Cc1nc(-c2ccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])cc2)cs1 ZINC000821153078 598223005 /nfs/dbraw/zinc/22/30/05/598223005.db2.gz NPKAJPPPKCYJLW-INIZCTEOSA-N -1 0 329.381 3.062 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000819856022 598225615 /nfs/dbraw/zinc/22/56/15/598225615.db2.gz FLRVVDUXBCORBB-IBGZPJMESA-N -1 0 349.346 3.294 20 30 EGEDRM N#CCOc1ccc(CC(=O)Oc2cc(Cl)ccc2C(=O)[O-])cc1 ZINC000739087626 600422125 /nfs/dbraw/zinc/42/21/25/600422125.db2.gz LDYWVNOFDQIGKA-UHFFFAOYSA-N -1 0 345.738 3.089 20 30 EGEDRM CC(=NN=Cc1ccc(-c2ccccc2C(=O)[O-])o1)c1cnccn1 ZINC000825798800 600689605 /nfs/dbraw/zinc/68/96/05/600689605.db2.gz YVYGWNNAACCKQX-UHFFFAOYSA-N -1 0 334.335 3.278 20 30 EGEDRM C[C@@H](Oc1ccccc1C#N)c1nc(-c2cccc(C(=O)[O-])c2)no1 ZINC000827895349 600701283 /nfs/dbraw/zinc/70/12/83/600701283.db2.gz IJYDQIBDUYTTRU-LLVKDONJSA-N -1 0 335.319 3.446 20 30 EGEDRM C=CCn1c(SC/C=C(/C)C(=O)[O-])nnc1-c1ccc(OC)cc1 ZINC000825711315 600726228 /nfs/dbraw/zinc/72/62/28/600726228.db2.gz YYKDVBQUOCHTFU-XFXZXTDPSA-N -1 0 345.424 3.263 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)[C@H]2C[C@@]23CCc2ccccc23)C(=O)[O-])cc1 ZINC000833071772 600738687 /nfs/dbraw/zinc/73/86/87/600738687.db2.gz IJMNTDJTAUWRTK-LVCYWYKZSA-N -1 0 347.370 3.131 20 30 EGEDRM Cc1cc(F)cc2c1ncc(C#N)c2N1CCC(CC(=O)[O-])CC1 ZINC000832890153 600810733 /nfs/dbraw/zinc/81/07/33/600810733.db2.gz QLOIAPWEFMNCLK-UHFFFAOYSA-N -1 0 327.359 3.245 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1cncc(C)c1 ZINC000825705394 600966859 /nfs/dbraw/zinc/96/68/59/600966859.db2.gz FLRTUSLOORTMHR-UHFFFAOYSA-N -1 0 327.336 3.045 20 30 EGEDRM C#CCOc1cc(F)ccc1NC(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000825625438 601045141 /nfs/dbraw/zinc/04/51/41/601045141.db2.gz BQVIMRUKVLDILX-UHFFFAOYSA-N -1 0 346.289 3.319 20 30 EGEDRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(C#N)s2)cc1 ZINC000832777296 601283254 /nfs/dbraw/zinc/28/32/54/601283254.db2.gz HGNQATUBSFOZSR-ZDUSSCGKSA-N -1 0 346.433 3.287 20 30 EGEDRM N#CCCCOc1cccc(N[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000833066051 601302100 /nfs/dbraw/zinc/30/21/00/601302100.db2.gz UMIGENNAWJGUED-GOSISDBHSA-N -1 0 335.363 3.479 20 30 EGEDRM CC(=O)Nc1cc(N[C@H](C(=O)[O-])c2cccc(C#N)c2)ccc1Cl ZINC000825890440 601302898 /nfs/dbraw/zinc/30/28/98/601302898.db2.gz LEXCHYWMRGRPPN-INIZCTEOSA-N -1 0 343.770 3.408 20 30 EGEDRM CCCOc1ccc2c(c1)C(=O)/C(=C\c1ccc(C(=O)[O-])[nH]1)CO2 ZINC000829538103 601331318 /nfs/dbraw/zinc/33/13/18/601331318.db2.gz ZPJFHUQVSYRIQM-FLIBITNWSA-N -1 0 327.336 3.160 20 30 EGEDRM O=C([O-])c1ccc(C=NNc2ccc(OCC(F)(F)F)cc2)[nH]1 ZINC000833311756 601337020 /nfs/dbraw/zinc/33/70/20/601337020.db2.gz CMCBNWQKYAHZDQ-UHFFFAOYSA-N -1 0 327.262 3.100 20 30 EGEDRM CC(C)=C[C@@H]1[C@@H](C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)C1(C)C ZINC000826647650 601345524 /nfs/dbraw/zinc/34/55/24/601345524.db2.gz JAORGMACQQZHLB-PMPSAXMXSA-N -1 0 327.380 3.466 20 30 EGEDRM N#Cc1cccc([C@H](OC(=O)c2ccc(-n3cccc3)cc2)C(=O)[O-])c1 ZINC000833077593 601347247 /nfs/dbraw/zinc/34/72/47/601347247.db2.gz XDVFMBWHFLKOPP-SFHVURJKSA-N -1 0 346.342 3.332 20 30 EGEDRM N#Cc1cccc([C@@H](OC(=O)c2ccc(-n3cccc3)cc2)C(=O)[O-])c1 ZINC000833077592 601347282 /nfs/dbraw/zinc/34/72/82/601347282.db2.gz XDVFMBWHFLKOPP-GOSISDBHSA-N -1 0 346.342 3.332 20 30 EGEDRM N#Cc1cccc([C@H](OC(=O)c2cccc3ncccc32)C(=O)[O-])c1 ZINC000833077670 601348255 /nfs/dbraw/zinc/34/82/55/601348255.db2.gz YRWLIUXCFGBNKS-KRWDZBQOSA-N -1 0 332.315 3.089 20 30 EGEDRM C[C@@H](Cc1cccc(F)c1)C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000827586111 601350923 /nfs/dbraw/zinc/35/09/23/601350923.db2.gz GPKPAYXKSBUEFP-SJCJKPOMSA-N -1 0 341.338 3.245 20 30 EGEDRM C[C@H](Cc1cccc(F)c1)C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000827586109 601350996 /nfs/dbraw/zinc/35/09/96/601350996.db2.gz GPKPAYXKSBUEFP-PXAZEXFGSA-N -1 0 341.338 3.245 20 30 EGEDRM N#Cc1cccc([C@H](OC(=O)[C@@H]2C[C@@]23CCc2ccccc23)C(=O)[O-])c1 ZINC000833075083 601355182 /nfs/dbraw/zinc/35/51/82/601355182.db2.gz HJJPRGMCVWBJTN-BBTUJRGHSA-N -1 0 347.370 3.131 20 30 EGEDRM N#CCc1cccc(-c2nc(COc3cccc(C(=O)[O-])c3)no2)c1 ZINC000833069378 601366274 /nfs/dbraw/zinc/36/62/74/601366274.db2.gz VEEAEXKXMJKLLD-UHFFFAOYSA-N -1 0 335.319 3.080 20 30 EGEDRM N#Cc1ccccc1/C=C\c1nc(COc2cccc(C(=O)[O-])c2)no1 ZINC000833075100 601367184 /nfs/dbraw/zinc/36/71/84/601367184.db2.gz LMLOSZKDNUSKFN-HJWRWDBZSA-N -1 0 347.330 3.389 20 30 EGEDRM N#Cc1ccccc1-c1ccccc1C(=O)N[C@H](CC(=O)[O-])C1CC1 ZINC000833074996 601526844 /nfs/dbraw/zinc/52/68/44/601526844.db2.gz IKCOXLFWAGTOTA-GOSISDBHSA-N -1 0 334.375 3.208 20 30 EGEDRM C[C@@H](C(=O)[O-])[C@H](NC(=O)Nc1ccc(CC#N)cc1)c1ccccc1 ZINC000826039182 601616126 /nfs/dbraw/zinc/61/61/26/601616126.db2.gz OPAJFDXWERYPQI-DYVFJYSZSA-N -1 0 337.379 3.336 20 30 EGEDRM C[C@@H](CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)C(=O)[O-] ZINC000827493389 601621665 /nfs/dbraw/zinc/62/16/65/601621665.db2.gz SNFHBOPGOXTXKE-LBPRGKRZSA-N -1 0 339.351 3.193 20 30 EGEDRM C[C@@H](CNC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)C(=O)[O-] ZINC000827493561 601624554 /nfs/dbraw/zinc/62/45/54/601624554.db2.gz VZNSKQUWCMDLIV-LBPRGKRZSA-N -1 0 339.351 3.193 20 30 EGEDRM CC(C)(CNC(=O)Nc1cccc(C#Cc2cccs2)c1)C(=O)[O-] ZINC000826591264 601750696 /nfs/dbraw/zinc/75/06/96/601750696.db2.gz XXTCVVYXUNCKFQ-UHFFFAOYSA-N -1 0 342.420 3.380 20 30 EGEDRM C[C@H]1CN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)C[C@H]1C(=O)[O-] ZINC000828401674 601757227 /nfs/dbraw/zinc/75/72/27/601757227.db2.gz JFIRSZXIUZAFSE-SCLBCKFNSA-N -1 0 349.390 3.095 20 30 EGEDRM N#Cc1ccc(CC(=O)Nc2scc(C3CC3)c2C(=O)[O-])cc1 ZINC000833073099 601808459 /nfs/dbraw/zinc/80/84/59/601808459.db2.gz VMOGNWMDLUUXPV-UHFFFAOYSA-N -1 0 326.377 3.377 20 30 EGEDRM CCCn1nc(C)c(/C=C/C(=O)c2ccc(OCC(=O)[O-])cc2)c1C ZINC000829591161 601851353 /nfs/dbraw/zinc/85/13/53/601851353.db2.gz OTKHZEIAFRWQII-MDZDMXLPSA-N -1 0 342.395 3.269 20 30 EGEDRM C=CCC(CC=C)C(=O)N(C)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000825659866 602007437 /nfs/dbraw/zinc/00/74/37/602007437.db2.gz JKFLVZDURMFQAY-OAHLLOKOSA-N -1 0 341.329 3.456 20 30 EGEDRM N#Cc1cc(NC(=O)N[C@@H]2CCCCCC[C@H]2C(=O)[O-])ccc1F ZINC000833069841 602037945 /nfs/dbraw/zinc/03/79/45/602037945.db2.gz UYHZPUAQKXNBPG-UKRRQHHQSA-N -1 0 333.363 3.242 20 30 EGEDRM O=C([O-])COc1ccc(C(=O)/C=C/c2cccc(-n3cccn3)c2)cc1 ZINC000833252841 602099453 /nfs/dbraw/zinc/09/94/53/602099453.db2.gz KWVJFSWQKKIGRB-BJMVGYQFSA-N -1 0 348.358 3.232 20 30 EGEDRM COc1ccc(-c2csc(C(C#N)C(=O)[C@H](C)CC(=O)[O-])n2)cc1 ZINC000832124512 602186109 /nfs/dbraw/zinc/18/61/09/602186109.db2.gz PTBWWCHBUILLPF-MFKMUULPSA-N -1 0 344.392 3.106 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)cc1 ZINC000833071460 602260067 /nfs/dbraw/zinc/26/00/67/602260067.db2.gz HJJWLKQDIDGKTK-UHFFFAOYSA-N -1 0 346.342 3.427 20 30 EGEDRM N#CCSc1ccccc1C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000391639543 602395414 /nfs/dbraw/zinc/39/54/14/602395414.db2.gz PYHKQIVZGRIBAQ-UHFFFAOYSA-N -1 0 330.340 3.392 20 30 EGEDRM CC[C@@H](C#N)Oc1cccc(CNc2ccc(C(=O)[O-])c(C)n2)c1 ZINC000833635821 604461594 /nfs/dbraw/zinc/46/15/94/604461594.db2.gz ATZBXHUOEUVGKY-AWEZNQCLSA-N -1 0 325.368 3.381 20 30 EGEDRM Cc1cc(N2CCC[C@@H]2CC(=O)[O-])n2c3ccccc3nc2c1C#N ZINC000832890507 604469370 /nfs/dbraw/zinc/46/93/70/604469370.db2.gz GZLYHDWXGQTHEM-CYBMUJFWSA-N -1 0 334.379 3.111 20 30 EGEDRM C=CCN(CC=C)C(=O)Nc1cc(C(=O)[O-])ccc1-n1cc(C)cn1 ZINC000833375001 604491321 /nfs/dbraw/zinc/49/13/21/604491321.db2.gz DFRFOLDCPXJJER-UHFFFAOYSA-N -1 0 340.383 3.085 20 30 EGEDRM C=CC1CCN(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])CC1 ZINC000825660040 604535513 /nfs/dbraw/zinc/53/55/13/604535513.db2.gz NWKCQAPJEUIQJD-INIZCTEOSA-N -1 0 330.428 3.446 20 30 EGEDRM Cc1cc([C@H](C)OC(=O)/C=C/c2ccccc2C#N)oc1C(=O)[O-] ZINC000832875157 604560722 /nfs/dbraw/zinc/56/07/22/604560722.db2.gz MTGXPSGEVFYHIA-GUOLPTJISA-N -1 0 325.320 3.476 20 30 EGEDRM Cc1cc([C@H](C)OC(=O)[C@H](C)Oc2ccccc2C#N)oc1C(=O)[O-] ZINC000832873873 604563231 /nfs/dbraw/zinc/56/32/31/604563231.db2.gz ITEWAGNVMGVFOA-RYUDHWBXSA-N -1 0 343.335 3.230 20 30 EGEDRM C=CCn1c(SCC(=O)c2cccc(C(=O)[O-])c2)nnc1C1CC1 ZINC000833380513 604670064 /nfs/dbraw/zinc/67/00/64/604670064.db2.gz IHYRYUFPAUWABN-UHFFFAOYSA-N -1 0 343.408 3.015 20 30 EGEDRM CC(C)(C#N)c1ccccc1CN1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC000826081401 604671077 /nfs/dbraw/zinc/67/10/77/604671077.db2.gz RGPGIJFLUZKAIV-GOSISDBHSA-N -1 0 336.391 3.340 20 30 EGEDRM Cc1cc(F)cc2c1ncc(C#N)c2NC[C@H](C(=O)[O-])c1ccccc1 ZINC000832890583 604803668 /nfs/dbraw/zinc/80/36/68/604803668.db2.gz YBVQTRIMQQZECY-KRWDZBQOSA-N -1 0 349.365 3.256 20 30 EGEDRM N#Cc1c(Cl)nsc1NC[C@H](Cc1cccc(F)c1)C(=O)[O-] ZINC000833760875 604829084 /nfs/dbraw/zinc/82/90/84/604829084.db2.gz HIIHVTQGQYVRSL-VIFPVBQESA-N -1 0 339.779 3.163 20 30 EGEDRM C=CCc1cc(OC)ccc1OC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000825705904 604878417 /nfs/dbraw/zinc/87/84/17/604878417.db2.gz VHFJHPWZUCLWBW-UHFFFAOYSA-N -1 0 330.311 3.480 20 30 EGEDRM Cc1c(NC(=O)NC2(c3cccc(C#N)c3)CC2)cccc1C(=O)[O-] ZINC000833742325 604938469 /nfs/dbraw/zinc/93/84/69/604938469.db2.gz QRMOZVZWRBBUNT-UHFFFAOYSA-N -1 0 335.363 3.376 20 30 EGEDRM C#CC[C@H](NC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1)c1ccccc1 ZINC000833360954 604988903 /nfs/dbraw/zinc/98/89/03/604988903.db2.gz UCKPGLZTWWEUCG-SJORKVTESA-N -1 0 342.439 3.283 20 30 EGEDRM C[C@H](Oc1ccc(/C=C/C(=O)c2ccc(C#N)s2)cc1)C(=O)[O-] ZINC000794703730 605000166 /nfs/dbraw/zinc/00/01/66/605000166.db2.gz VFVZYKBLLJADPW-VUQUXZKVSA-N -1 0 327.361 3.368 20 30 EGEDRM C=C(Cl)COC(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-] ZINC000833369866 605018503 /nfs/dbraw/zinc/01/85/03/605018503.db2.gz GXQHVQHEHARDRX-UHFFFAOYSA-N -1 0 345.760 3.071 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@@H]1CCC(=O)[C@@H](C)C1 ZINC000833379658 605146895 /nfs/dbraw/zinc/14/68/95/605146895.db2.gz JOFYKAJWEXOESM-WCQYABFASA-N -1 0 346.379 3.033 20 30 EGEDRM C=C(C)CN(C)C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC000833368986 605396889 /nfs/dbraw/zinc/39/68/89/605396889.db2.gz YYTNWBYLAJTTRP-UHFFFAOYSA-N -1 0 346.305 3.366 20 30 EGEDRM C=C(C)CN(C)C(=O)Nc1cc(C(=O)[O-])c(F)cc1Br ZINC000833368454 605396913 /nfs/dbraw/zinc/39/69/13/605396913.db2.gz JZWILRAHOCKFFR-UHFFFAOYSA-N -1 0 345.168 3.326 20 30 EGEDRM CN(CC#Cc1ccccc1Cl)c1ccc(OCC(=O)[O-])cc1 ZINC000833691492 605435805 /nfs/dbraw/zinc/43/58/05/605435805.db2.gz OMNPPNBPQIUSJM-UHFFFAOYSA-N -1 0 329.783 3.291 20 30 EGEDRM C=CCN(CCc1ccco1)C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000833374587 605483980 /nfs/dbraw/zinc/48/39/80/605483980.db2.gz RZRWZJCPYCQEOP-UHFFFAOYSA-N -1 0 332.331 3.380 20 30 EGEDRM C#CCNC(=O)c1ccccc1NCc1cc(C(=O)[O-])ccc1Cl ZINC000833365832 605783326 /nfs/dbraw/zinc/78/33/26/605783326.db2.gz TUJNQPNNYDGFAY-UHFFFAOYSA-N -1 0 342.782 3.013 20 30 EGEDRM CC(C)c1nc(-c2nnn[n-]2)c(N=NC[C@H]2CCc3ccccc32)o1 ZINC000824352526 607887273 /nfs/dbraw/zinc/88/72/73/607887273.db2.gz HCHWGEHVBQONDJ-GFCCVEGCSA-N -1 0 337.387 3.106 20 30 EGEDRM O=C([O-])C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccc2ccccc2n1 ZINC000032642011 1291381978 /nfs/dbraw/zinc/38/19/78/1291381978.db2.gz QPCNIHPMFKGOHS-RVDMUPIBSA-N -1 0 348.314 3.337 20 30 EGEDRM COc1ccccc1CCC(=O)[N-]S(=O)(=O)c1cccs1 ZINC000042244000 1291437098 /nfs/dbraw/zinc/43/70/98/1291437098.db2.gz OPQYNGXEEHJYNX-UHFFFAOYSA-N -1 0 325.411 3.035 20 30 EGEDRM O=C(Cc1c(F)cccc1Cl)[N-]S(=O)(=O)c1cccs1 ZINC000042243906 1291437507 /nfs/dbraw/zinc/43/75/07/1291437507.db2.gz ZZTCKKCWKVAZCO-UHFFFAOYSA-N -1 0 333.793 3.429 20 30 EGEDRM C[C@@H](Oc1ccccc1)C(=O)[N-]S(=O)(=O)C=Cc1ccccc1 ZINC000042320867 1291440406 /nfs/dbraw/zinc/44/04/06/1291440406.db2.gz GIZBIRBBLOXRNR-XTZCOPOCSA-N -1 0 331.393 3.411 20 30 EGEDRM CC(C)c1cc(C(=O)[N-]S(=O)(=O)c2ccc3ccccc3c2)[nH]n1 ZINC000048408167 1291603620 /nfs/dbraw/zinc/60/36/20/1291603620.db2.gz KBGGNHSUDKZTCY-UHFFFAOYSA-N -1 0 343.408 3.380 20 30 EGEDRM Cc1ccc(C(=O)CCC(=O)[N-]S(=O)(=O)c2cccs2)s1 ZINC000048427935 1291604298 /nfs/dbraw/zinc/60/42/98/1291604298.db2.gz JSYXPSPPYIMXQB-UHFFFAOYSA-N -1 0 343.451 3.426 20 30 EGEDRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)c1ccc2ccccc2c1 ZINC000048490107 1291607039 /nfs/dbraw/zinc/60/70/39/1291607039.db2.gz FFXCOPLYCIVXGZ-UHFFFAOYSA-N -1 0 330.365 3.138 20 30 EGEDRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)C=Cc1ccc(Cl)s1 ZINC000048491113 1291607606 /nfs/dbraw/zinc/60/76/06/1291607606.db2.gz KLHMFNAOLRDSRG-GQCTYLIASA-N -1 0 346.817 3.365 20 30 EGEDRM N#Cc1ccc(CCC(=O)[N-]S(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000048495391 1291607566 /nfs/dbraw/zinc/60/75/66/1291607566.db2.gz HKOOSIDRCJHCMG-UHFFFAOYSA-N -1 0 348.811 3.490 20 30 EGEDRM O=C(C[C@H]1C=CCC1)[N-]S(=O)(=O)c1ccccc1Br ZINC000048519592 1291608965 /nfs/dbraw/zinc/60/89/65/1291608965.db2.gz IOAVACDMGJVJJK-JTQLQIEISA-N -1 0 344.230 3.451 20 30 EGEDRM CC(C)S(=O)(=O)[N-]C(=O)c1ccccc1SC(F)(F)F ZINC000049417537 1291628066 /nfs/dbraw/zinc/62/80/66/1291628066.db2.gz KTHROBJSURPDQG-UHFFFAOYSA-N -1 0 327.349 3.341 20 30 EGEDRM N#Cc1cccc(S(=O)(=O)[N-]C(=O)c2cc3ccccc3s2)c1 ZINC000048598955 1291611957 /nfs/dbraw/zinc/61/19/57/1291611957.db2.gz ZZVDCWKZRHKSAU-UHFFFAOYSA-N -1 0 342.401 3.466 20 30 EGEDRM Cc1oc(C)c(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCC3)c1C ZINC000048612918 1291613346 /nfs/dbraw/zinc/61/33/46/1291613346.db2.gz WJPZTBDXADYHJH-UHFFFAOYSA-N -1 0 333.409 3.387 20 30 EGEDRM CC(C)CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000049302205 1291627428 /nfs/dbraw/zinc/62/74/28/1291627428.db2.gz KLYXQQMJEXFCTO-SECBINFHSA-N -1 0 339.866 3.498 20 30 EGEDRM CCCCS(=O)(=O)[N-]C(=O)c1ccc(Br)c(F)c1 ZINC000049416873 1291628455 /nfs/dbraw/zinc/62/84/55/1291628455.db2.gz PDYCFKNGLSKLGA-UHFFFAOYSA-N -1 0 338.198 3.023 20 30 EGEDRM COc1ccccc1CCC(=O)[N-]S(=O)(=O)C1CCCCC1 ZINC000058072182 1291877170 /nfs/dbraw/zinc/87/71/70/1291877170.db2.gz AEHIWKNWAPEHBA-UHFFFAOYSA-N -1 0 325.430 3.247 20 30 EGEDRM CCc1ccc(C(=O)[N-]S(=O)(=O)Cc2ccc(Cl)nc2)cc1 ZINC000058151205 1291881368 /nfs/dbraw/zinc/88/13/68/1291881368.db2.gz CVJXIPMPMYCZNM-UHFFFAOYSA-N -1 0 338.816 3.132 20 30 EGEDRM COc1cc(/C=C2\CCc3cc(O)ccc3C2=O)cc([N+](=O)[O-])c1[O-] ZINC000060340085 1291920550 /nfs/dbraw/zinc/92/05/50/1291920550.db2.gz FTVGVLNFSPGGNI-WUXMJOGZSA-N -1 0 341.319 3.227 20 30 EGEDRM CCc1ccsc1C(=O)[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC000066003432 1292103434 /nfs/dbraw/zinc/10/34/34/1292103434.db2.gz PTIBRKDQDDYVHT-UHFFFAOYSA-N -1 0 327.402 3.284 20 30 EGEDRM CCO[C@@H](CC)C(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000066504433 1292118741 /nfs/dbraw/zinc/11/87/41/1292118741.db2.gz WVTUUQGJUDSAHA-NSHDSACASA-N -1 0 339.335 3.166 20 30 EGEDRM CCCCO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000068490948 1292204648 /nfs/dbraw/zinc/20/46/48/1292204648.db2.gz BAPSTVSJHBWSTG-SECBINFHSA-N -1 0 337.800 3.330 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)CC(C)C)c(Br)c1 ZINC000075040521 1292380488 /nfs/dbraw/zinc/38/04/88/1292380488.db2.gz BLLOEJITUDJEJT-UHFFFAOYSA-N -1 0 334.235 3.449 20 30 EGEDRM C[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000076756242 1292440149 /nfs/dbraw/zinc/44/01/49/1292440149.db2.gz AXDSBHAFHYJOEY-GHMZBOCLSA-N -1 0 326.374 3.066 20 30 EGEDRM CCCCCCCS(=O)(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC000829714761 1292607859 /nfs/dbraw/zinc/60/78/59/1292607859.db2.gz AEGBTHQTQYNBPC-LBPRGKRZSA-N -1 0 333.475 3.154 20 30 EGEDRM Cc1nc([N-]S(=O)(=O)c2ccc(OCC(C)C)cc2)ccc1C#N ZINC000830134531 1292670089 /nfs/dbraw/zinc/67/00/89/1292670089.db2.gz QCWZSSUPTLRSFS-UHFFFAOYSA-N -1 0 345.424 3.097 20 30 EGEDRM C=CCOCCCC(=O)[N-]S(=O)(=O)Cc1ccccc1Cl ZINC000083791364 1292690884 /nfs/dbraw/zinc/69/08/84/1292690884.db2.gz KOHVVMRWPPTESP-UHFFFAOYSA-N -1 0 331.821 3.109 20 30 EGEDRM C=CCCOC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC000103649826 1293012291 /nfs/dbraw/zinc/01/22/91/1293012291.db2.gz VRBIQSFZSRFZTC-UHFFFAOYSA-N -1 0 349.383 3.359 20 30 EGEDRM CC(CCc1ccc(O[C@H](C)C(=O)[O-])cc1)N=N[C@@H](C)C(F)(F)F ZINC000834999849 1293184890 /nfs/dbraw/zinc/18/48/90/1293184890.db2.gz YODOXXFNIDXKSC-NEPJUHHUSA-N -1 0 346.349 3.387 20 30 EGEDRM CC1(C)Cc2nc(N)sc2C(=[NH+][N-]c2ccc(C(=O)[O-])c(F)c2)C1 ZINC000835009413 1293186407 /nfs/dbraw/zinc/18/64/07/1293186407.db2.gz SIFATDGUEDXNCE-UHFFFAOYSA-N -1 0 348.403 3.351 20 30 EGEDRM COCCn1c(C)cc(CN=Nc2ccc(C(=O)[O-])c(F)c2)c1C ZINC000835009971 1293186801 /nfs/dbraw/zinc/18/68/01/1293186801.db2.gz JRWOLUMYQKUICQ-UHFFFAOYSA-N -1 0 333.363 3.035 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cc2cccnc2s1 ZINC000835056089 1293194906 /nfs/dbraw/zinc/19/49/06/1293194906.db2.gz BWKFJCOUEBLLAT-ZDUSSCGKSA-N -1 0 329.425 3.315 20 30 EGEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000119722540 1293285748 /nfs/dbraw/zinc/28/57/48/1293285748.db2.gz ONYQTCRAOYNBFB-QGZVFWFLSA-N -1 0 349.434 3.428 20 30 EGEDRM C=CCC1(C(=O)[N-]S(=O)(=O)c2ccc(C)c(F)c2F)CCCC1 ZINC000835454993 1293294163 /nfs/dbraw/zinc/29/41/63/1293294163.db2.gz FRTDBJOMDBAQJO-UHFFFAOYSA-N -1 0 343.395 3.215 20 30 EGEDRM Cc1ccc(SCCC(=O)C(C#N)=C([O-])c2nccn2C)cc1C ZINC000122676886 1293420721 /nfs/dbraw/zinc/42/07/21/1293420721.db2.gz ITVHAJISWAJSKO-HNNXBMFYSA-N -1 0 341.436 3.111 20 30 EGEDRM Cc1c2cc(Cl)ccc2oc1C([O-])=C(C#N)C(=O)N1CCCC1 ZINC000124567058 1293479071 /nfs/dbraw/zinc/47/90/71/1293479071.db2.gz MNDHDTNOKYSILI-CYBMUJFWSA-N -1 0 330.771 3.340 20 30 EGEDRM N#Cc1cc(F)ccc1[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000124580863 1293479729 /nfs/dbraw/zinc/47/97/29/1293479729.db2.gz WNPAYYPFMVHDMW-UHFFFAOYSA-N -1 0 346.170 3.200 20 30 EGEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1cncc(-c2ccccc2)c1 ZINC000124601447 1293480137 /nfs/dbraw/zinc/48/01/37/1293480137.db2.gz ITMXPIIOEJNONX-SFHVURJKSA-N -1 0 333.391 3.130 20 30 EGEDRM Cc1[nH]c2ccc(C([O-])=C(C#N)C(=O)NCc3ccccc3)cc2c1C ZINC000126691674 1293541312 /nfs/dbraw/zinc/54/13/12/1293541312.db2.gz DYDNMUFDXYSIDW-GOSISDBHSA-N -1 0 345.402 3.424 20 30 EGEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1cccc(C(F)(F)F)c1 ZINC000127228082 1293556260 /nfs/dbraw/zinc/55/62/60/1293556260.db2.gz RJRMPNXCOFAWLW-AWEZNQCLSA-N -1 0 338.329 3.477 20 30 EGEDRM COc1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])c([O-])c2)c(OC)c1 ZINC000129507140 1293626138 /nfs/dbraw/zinc/62/61/38/1293626138.db2.gz SWXPOPPEEZLKJT-XBXARRHUSA-N -1 0 329.308 3.214 20 30 EGEDRM CNC(=O)C(C#N)=C([O-])c1ccc(COc2ccc3ccccc3c2)o1 ZINC000133259375 1293740554 /nfs/dbraw/zinc/74/05/54/1293740554.db2.gz YZHNTSHJBLSEAD-KRWDZBQOSA-N -1 0 348.358 3.080 20 30 EGEDRM N#Cc1ccc(C(=O)/C=C/c2ccc(OCCC(=O)[O-])cc2)s1 ZINC000134496700 1293774513 /nfs/dbraw/zinc/77/45/13/1293774513.db2.gz VOZQIRCZROERLS-XVNBXDOJSA-N -1 0 327.361 3.369 20 30 EGEDRM COc1cc(OC)c(OC)cc1/C=C/C(=O)c1cc(F)ccc1[O-] ZINC000156667002 1294154459 /nfs/dbraw/zinc/15/44/59/1294154459.db2.gz HFQIFCIVSMGDSI-GQCTYLIASA-N -1 0 332.327 3.453 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)c2cc(-c3ccc4c(c3)CCO4)no2)c1 ZINC000157203158 1294171047 /nfs/dbraw/zinc/17/10/47/1294171047.db2.gz WHECZPLOXZGXBJ-UHFFFAOYSA-N -1 0 347.330 3.106 20 30 EGEDRM Cc1c(C([O-])=C(C#N)C(=O)N2CCCC2)cccc1-c1ccccn1 ZINC000166785256 1294363412 /nfs/dbraw/zinc/36/34/12/1294363412.db2.gz RYTNSIFJKBDIQK-KRWDZBQOSA-N -1 0 333.391 3.002 20 30 EGEDRM CCc1ccc(-c2ccc(C([O-])=C(C#N)C(=O)N3CCCC3)o2)cc1 ZINC000173937817 1294473938 /nfs/dbraw/zinc/47/39/38/1294473938.db2.gz XTUBUWJYXODQFG-INIZCTEOSA-N -1 0 336.391 3.454 20 30 EGEDRM Cc1nc(-c2cccc(C([O-])=C(C#N)C(=O)N3CCCC3)c2)cs1 ZINC000173937039 1294474043 /nfs/dbraw/zinc/47/40/43/1294474043.db2.gz NEALUXLDNMUJRU-OAHLLOKOSA-N -1 0 339.420 3.063 20 30 EGEDRM CCCN(CC)c1ccc(C([O-])=C(C#N)C(=O)NC2CCCC2)cc1 ZINC000173998985 1294476060 /nfs/dbraw/zinc/47/60/60/1294476060.db2.gz XXWKRBKSFLJUNA-SFHVURJKSA-N -1 0 341.455 3.304 20 30 EGEDRM CC[C@H](C)Oc1ccc(C([O-])=C(C#N)C(=O)NC2CCCC2)cc1 ZINC000175118934 1294540605 /nfs/dbraw/zinc/54/06/05/1294540605.db2.gz MBPPHKHMOSTETN-GUYCJALGSA-N -1 0 328.412 3.245 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)CCc1cccc(OC2CCCC2)c1 ZINC000191247965 1295661132 /nfs/dbraw/zinc/66/11/32/1295661132.db2.gz CLKBLZCMYMFNJU-UHFFFAOYSA-N -1 0 331.412 3.040 20 30 EGEDRM C=CCC1(C(=O)[N-]S(=O)(=O)c2ccccc2C(F)(F)F)CCC1 ZINC000192188587 1295742545 /nfs/dbraw/zinc/74/25/45/1295742545.db2.gz SKDONFZOVRGPCZ-UHFFFAOYSA-N -1 0 347.358 3.257 20 30 EGEDRM O=C1c2cc([N+](=O)[O-])ccc2CC/C1=C/c1ccc([O-])c([N+](=O)[O-])c1 ZINC000193154026 1295837875 /nfs/dbraw/zinc/83/78/75/1295837875.db2.gz ONGUPGSMXKSGIO-GHXNOFRVSA-N -1 0 340.291 3.421 20 30 EGEDRM COc1cc(/C=C\C(=O)c2cc(F)ccc2F)cc([N+](=O)[O-])c1[O-] ZINC000211344191 1296103959 /nfs/dbraw/zinc/10/39/59/1296103959.db2.gz NIFYGXGKLMVJTD-DJWKRKHSSA-N -1 0 335.262 3.483 20 30 EGEDRM Cc1ccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])cc1C(=O)NC(C)C ZINC000254953643 1296483507 /nfs/dbraw/zinc/48/35/07/1296483507.db2.gz NSKMRHMABDQCRA-UHFFFAOYSA-N -1 0 341.367 3.498 20 30 EGEDRM COc1ccc2c(c1)C(=O)/C(=C\c1cccc(OCCC(=O)[O-])c1)C2 ZINC000255058501 1296493568 /nfs/dbraw/zinc/49/35/68/1296493568.db2.gz SDFLETJOJKKVPK-DHDCSXOGSA-N -1 0 338.359 3.371 20 30 EGEDRM O=C1c2cc(F)cc(F)c2OC/C1=C\c1ccc([N+](=O)[O-])c([O-])c1 ZINC000255289856 1296515071 /nfs/dbraw/zinc/51/50/71/1296515071.db2.gz OFFTUGYUVGVVAT-YCRREMRBSA-N -1 0 333.246 3.237 20 30 EGEDRM O=C(/C=C\c1ccc([N+](=O)[O-])c([O-])c1)c1c(Cl)nc2ccccn21 ZINC000255529605 1296543087 /nfs/dbraw/zinc/54/30/87/1296543087.db2.gz NYFMQOAARDNSGL-ALCCZGGFSA-N -1 0 343.726 3.498 20 30 EGEDRM CC(C)C[C@@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])C(=O)OC(C)(C)C ZINC000255554111 1296546623 /nfs/dbraw/zinc/54/66/23/1296546623.db2.gz GIFIIXAAYMNMKE-FNHQQPGVSA-N -1 0 336.388 3.476 20 30 EGEDRM C=CCC[C@@H](NC(=O)c1cc(C)c(OC(F)F)c(C)c1)C(=O)[O-] ZINC000262853873 1296649885 /nfs/dbraw/zinc/64/98/85/1296649885.db2.gz ICEQCDGSHRSJGD-GFCCVEGCSA-N -1 0 327.327 3.054 20 30 EGEDRM C=CCC[C@H](NC(=O)[C@H](C)Oc1cccc(Cl)c1Cl)C(=O)[O-] ZINC000263001474 1296655853 /nfs/dbraw/zinc/65/58/53/1296655853.db2.gz WJGWBEBMYUHZIP-ONGXEEELSA-N -1 0 346.210 3.296 20 30 EGEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(-c2cccc(F)c2)s1 ZINC000873496922 1297543325 /nfs/dbraw/zinc/54/33/25/1297543325.db2.gz FQMVXVSRCGVCEC-AWEZNQCLSA-N -1 0 342.395 3.499 20 30 EGEDRM O=C(/C=C\c1nccn1-c1ccccc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000588579677 1298087649 /nfs/dbraw/zinc/08/76/49/1298087649.db2.gz KQLMPNKMHKWQMG-HJWRWDBZSA-N -1 0 335.319 3.382 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)/C=C\c1cccc(OC2CCCC2)c1 ZINC000588592902 1298088981 /nfs/dbraw/zinc/08/89/81/1298088981.db2.gz NOZCYJZLJPDJGC-KHPPLWFESA-N -1 0 329.396 3.120 20 30 EGEDRM Cc1cc(O)cc2c1C(=O)/C(=C/c1cccc(OCCC(=O)[O-])c1)O2 ZINC000746684945 1298641603 /nfs/dbraw/zinc/64/16/03/1298641603.db2.gz VNGVSFIUPCHNSI-SXGWCWSVSA-N -1 0 340.331 3.170 20 30 EGEDRM C#Cc1cccc(NC(=O)c2nn(-c3ccc(F)cc3F)cc2[O-])c1 ZINC000748022641 1298910680 /nfs/dbraw/zinc/91/06/80/1298910680.db2.gz PWPVCTHNHLKVET-UHFFFAOYSA-N -1 0 339.301 3.090 20 30 EGEDRM CCC(N=Nc1nccn(C)c1=O)c1cc(Cl)cc(Cl)c1[O-] ZINC000748080072 1298924325 /nfs/dbraw/zinc/92/43/25/1298924325.db2.gz PGPMIFUHRGQJPE-UHFFFAOYSA-N -1 0 341.198 3.019 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)c2ccc(OCC(F)(F)F)cc2)c1 ZINC000748410375 1299003117 /nfs/dbraw/zinc/00/31/17/1299003117.db2.gz JFNHTPYXQWSKER-UHFFFAOYSA-N -1 0 336.269 3.457 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)c2csc(-c3ccc(O)cc3)n2)c1 ZINC000748410622 1299004144 /nfs/dbraw/zinc/00/41/44/1299004144.db2.gz NMAWMFNRLPQGJK-UHFFFAOYSA-N -1 0 337.360 3.345 20 30 EGEDRM C[C@H](Oc1cccc(C(=O)/C=C/c2ccc(Cl)nc2)c1)C(=O)[O-] ZINC000748998122 1299122156 /nfs/dbraw/zinc/12/21/56/1299122156.db2.gz NQYNSOGXCZITLV-ZRQQLDRUSA-N -1 0 331.755 3.483 20 30 EGEDRM N#C[C@H]([N-]C(=O)C(F)(F)C(F)F)c1ccc(OC(F)(F)F)cc1 ZINC000749386396 1299206213 /nfs/dbraw/zinc/20/62/13/1299206213.db2.gz SBJDVSRIKIJUNS-QMMMGPOBSA-N -1 0 344.186 3.166 20 30 EGEDRM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1ccc(C#N)s1 ZINC000750684096 1299440379 /nfs/dbraw/zinc/44/03/79/1299440379.db2.gz MDOPJCCHSFNTRR-SNVBAGLBSA-N -1 0 329.768 3.234 20 30 EGEDRM COc1cc2c(c(C=NNc3ccccc3C(=O)[O-])c1)O[C@@H](C)C2 ZINC000755600942 1300363788 /nfs/dbraw/zinc/36/37/88/1300363788.db2.gz LEYARTXEAFSZLD-NSHDSACASA-N -1 0 326.352 3.163 20 30 EGEDRM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(N(C)C)ccc2C#N)c(C)c1 ZINC000756361227 1300475299 /nfs/dbraw/zinc/47/52/99/1300475299.db2.gz WZXGEUBUNKSHGE-UHFFFAOYSA-N -1 0 343.452 3.350 20 30 EGEDRM CC(=O)N1CC[C@@H](/N=C\c2cc([N+](=O)[O-])ccc2[O-])c2ccccc21 ZINC000756846417 1300575670 /nfs/dbraw/zinc/57/56/70/1300575670.db2.gz JLBHQSDNEPGFOX-VXIUPONVSA-N -1 0 339.351 3.217 20 30 EGEDRM COc1ccc(C(C)=NNc2ccc(C(=O)[O-])cc2OC)c(F)c1 ZINC000756901730 1300585197 /nfs/dbraw/zinc/58/51/97/1300585197.db2.gz YWDXYZLITZDMKP-UHFFFAOYSA-N -1 0 332.331 3.377 20 30 EGEDRM COc1ccc(O)c(C(=O)/C=C\c2cccc(O[C@H](C)C(=O)[O-])c2)c1 ZINC000757466898 1300673048 /nfs/dbraw/zinc/67/30/48/1300673048.db2.gz AIWWWOYQJJTDQF-XYLWRLHESA-N -1 0 342.347 3.149 20 30 EGEDRM Cc1ccc(C(=O)/C=C\c2cc3c(cc2[N+](=O)[O-])OCCO3)c([O-])c1 ZINC000757475822 1300675035 /nfs/dbraw/zinc/67/50/35/1300675035.db2.gz MOJFMNUTDFMKEE-HYXAFXHYSA-N -1 0 341.319 3.276 20 30 EGEDRM Cc1nn(C)c2ncc(/C=C/C(=O)c3cc(F)cc(F)c3[O-])cc12 ZINC000757477030 1300676401 /nfs/dbraw/zinc/67/64/01/1300676401.db2.gz XSXZJYXBQMFGSC-ONEGZZNKSA-N -1 0 329.306 3.157 20 30 EGEDRM [O-]c1c(Br)cc(Br)cc1C=NNC1CC1 ZINC000758127494 1300791757 /nfs/dbraw/zinc/79/17/57/1300791757.db2.gz QBICNSUPQSAYMC-UHFFFAOYSA-N -1 0 334.011 3.003 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])c(/C=N\CCCc2ccc3c(c2)OCCO3)c1 ZINC000758359237 1300860321 /nfs/dbraw/zinc/86/03/21/1300860321.db2.gz PECKMLNCUFDNDL-UNOMPAQXSA-N -1 0 342.351 3.123 20 30 EGEDRM Cc1cc(COc2ccc(C=NOCC(F)F)cc2)oc1C(=O)[O-] ZINC000758907555 1300976433 /nfs/dbraw/zinc/97/64/33/1300976433.db2.gz YECBZPLNEWMMCZ-UHFFFAOYSA-N -1 0 339.294 3.481 20 30 EGEDRM O=C([O-])Cn1cc(/C=C/C(=O)c2cc3c(ccc4ccccc34)o2)nn1 ZINC000759074748 1301010594 /nfs/dbraw/zinc/01/05/94/1301010594.db2.gz HWQGFAJUZXBDEV-VOTSOKGWSA-N -1 0 347.330 3.158 20 30 EGEDRM O=C(/C=C/c1cccc(-n2cccn2)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000759091829 1301013649 /nfs/dbraw/zinc/01/36/49/1301013649.db2.gz VNYAGPNPJXSHMW-FNORWQNLSA-N -1 0 335.319 3.382 20 30 EGEDRM CC(=O)c1c(C)[nH]c(C(=O)Nc2cc(C#N)ccc2[O-])c1C(C)C ZINC000759713594 1301147041 /nfs/dbraw/zinc/14/70/41/1301147041.db2.gz OPDSSGWEUWWMOU-UHFFFAOYSA-N -1 0 325.368 3.479 20 30 EGEDRM CN(C)[C@@H](C(=O)Nc1cc(C#N)ccc1[O-])c1cccc(Cl)c1 ZINC000759720391 1301147883 /nfs/dbraw/zinc/14/78/83/1301147883.db2.gz CKVCJBPZEDGRAY-MRXNPFEDSA-N -1 0 329.787 3.159 20 30 EGEDRM CCC(=NNC(=S)NCc1ccccc1)c1ccc(C(=O)[O-])cc1 ZINC000760226138 1301236495 /nfs/dbraw/zinc/23/64/95/1301236495.db2.gz ZVSZJKSRGUOCBB-UHFFFAOYSA-N -1 0 341.436 3.163 20 30 EGEDRM CCC(=NNc1nc2ccccc2c(=O)[nH]1)c1ccc(C(=O)[O-])cc1 ZINC000760261114 1301240966 /nfs/dbraw/zinc/24/09/66/1301240966.db2.gz XCPSRTGNIFAGLX-UHFFFAOYSA-N -1 0 336.351 3.260 20 30 EGEDRM O=C([O-])CCOc1cccc(C=NNCc2ccc(Cl)cc2)c1 ZINC000764718306 1302121371 /nfs/dbraw/zinc/12/13/71/1302121371.db2.gz MHRWLJXSZGHCPD-UHFFFAOYSA-N -1 0 332.787 3.317 20 30 EGEDRM Cc1ccc(Cl)c2c1NC(=O)C2=N[N-]c1ncnc2ccsc21 ZINC000764835753 1302146151 /nfs/dbraw/zinc/14/61/51/1302146151.db2.gz QSJJLEAVGWTSCQ-UHFFFAOYSA-N -1 0 343.799 3.421 20 30 EGEDRM O=C([O-])c1cccc(/C=C2/S/C(=N\C3CCCCC3)NC2=O)c1 ZINC000765827564 1302336013 /nfs/dbraw/zinc/33/60/13/1302336013.db2.gz WGVCAHXBCLOAGZ-GXDHUFHOSA-N -1 0 330.409 3.277 20 30 EGEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N\C[C@H](O)c2ccc(F)cc2)c1[O-] ZINC000766283960 1302421689 /nfs/dbraw/zinc/42/16/89/1302421689.db2.gz OWNPVPQXAPQDQW-YCTMVFBPSA-N -1 0 338.722 3.245 20 30 EGEDRM [O-]c1c(Cl)cc(Cl)cc1C=NNC(=S)Nc1ccccn1 ZINC000767804079 1302766160 /nfs/dbraw/zinc/76/61/60/1302766160.db2.gz MCQMFAWGGFQWKW-UHFFFAOYSA-N -1 0 341.223 3.415 20 30 EGEDRM O=C(/C=C/c1cnc(N2CCCC2)nc1)c1ccc([O-])c(Cl)c1 ZINC000768751442 1302971073 /nfs/dbraw/zinc/97/10/73/1302971073.db2.gz AOCRCHXIIIUNBG-HWKANZROSA-N -1 0 329.787 3.332 20 30 EGEDRM COc1ccc(C=NNc2c(C)cccc2F)c(OCC(=O)[O-])c1 ZINC000769827610 1303181034 /nfs/dbraw/zinc/18/10/34/1303181034.db2.gz FZRZQWWYFWTBTE-UHFFFAOYSA-N -1 0 332.331 3.052 20 30 EGEDRM C#CCOc1cccc(-c2noc(-c3ccc([N+](=O)[O-])c([O-])c3)n2)c1 ZINC000770864094 1303322721 /nfs/dbraw/zinc/32/27/21/1303322721.db2.gz ARMXHNPXYWMMHS-UHFFFAOYSA-N -1 0 337.291 3.029 20 30 EGEDRM Cc1nc(C)c(C(C)N=Nc2nccnc2C(C)C)cc1C(=O)[O-] ZINC000773076808 1303619301 /nfs/dbraw/zinc/61/93/01/1303619301.db2.gz APPXPBPTSRWEJU-UHFFFAOYSA-N -1 0 327.388 3.146 20 30 EGEDRM O=C([O-])Cc1ccc(C(=O)/C=C/c2ccn(-c3ccccc3)n2)cc1 ZINC000773151820 1303634053 /nfs/dbraw/zinc/63/40/53/1303634053.db2.gz WWMHZJBPIAGHBY-ZHACJKMWSA-N -1 0 332.359 3.396 20 30 EGEDRM C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1c(C)cccc1F ZINC000775280726 1303933395 /nfs/dbraw/zinc/93/33/95/1303933395.db2.gz LZLAELWOMVTJCL-UHFFFAOYSA-N -1 0 337.347 3.086 20 30 EGEDRM O=C(/C=C\c1ccc([N+](=O)[O-])cc1F)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000777920561 1304366643 /nfs/dbraw/zinc/36/66/43/1304366643.db2.gz OZUKARQMPALOFD-DJWKRKHSSA-N -1 0 332.243 3.244 20 30 EGEDRM C=CC[C@H](C(=O)[N-]S(=O)(=O)Cc1cccc(C)c1)c1ccccc1 ZINC000778809900 1304494083 /nfs/dbraw/zinc/49/40/83/1304494083.db2.gz FRSJIRFPMDRUDB-SFHVURJKSA-N -1 0 343.448 3.301 20 30 EGEDRM CCCCc1ccc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCCC2)cc1 ZINC000779322064 1304555905 /nfs/dbraw/zinc/55/59/05/1304555905.db2.gz ZKDPJUQVCIQUCQ-UHFFFAOYSA-N -1 0 348.468 3.173 20 30 EGEDRM COc1ccc([C@@H]([N-]C(=O)C(F)(F)C(F)F)C(F)(F)F)cc1 ZINC000780300634 1304673712 /nfs/dbraw/zinc/67/37/12/1304673712.db2.gz GFWYILRIWBYCHB-MRVPVSSYSA-N -1 0 333.203 3.315 20 30 EGEDRM C=CCC[C@@H](NC(=O)N(CC(=O)[O-])CC(F)(F)F)c1ccccc1 ZINC000780688861 1304725430 /nfs/dbraw/zinc/72/54/30/1304725430.db2.gz BZWNWFDWNYPYPQ-CYBMUJFWSA-N -1 0 344.333 3.352 20 30 EGEDRM C=CCC[C@H](NC(=O)N(CC(=O)[O-])CC(F)(F)F)c1ccccc1 ZINC000780688863 1304725585 /nfs/dbraw/zinc/72/55/85/1304725585.db2.gz BZWNWFDWNYPYPQ-ZDUSSCGKSA-N -1 0 344.333 3.352 20 30 EGEDRM COC(=O)COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2[O-])cc1 ZINC000782184135 1304927122 /nfs/dbraw/zinc/92/71/22/1304927122.db2.gz GUNLMNMKUXQYBO-XBXARRHUSA-N -1 0 346.766 3.494 20 30 EGEDRM CSc1nnc(C/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])s1 ZINC000782193571 1304928853 /nfs/dbraw/zinc/92/88/53/1304928853.db2.gz AHYFNBXRAIHBMZ-PQMHYQBVSA-N -1 0 344.805 3.146 20 30 EGEDRM CN1C(=O)CCc2cc(C(=O)/C=C\c3cc(C(=O)[O-])cs3)ccc21 ZINC000782207810 1304932375 /nfs/dbraw/zinc/93/23/75/1304932375.db2.gz RSGVGGZJUOKDSI-XQRVVYSFSA-N -1 0 341.388 3.251 20 30 EGEDRM FC(F)(F)c1n[n-]c(=S)n1N=Cc1cc(Cl)cc2c1OCC2 ZINC000782897570 1305021851 /nfs/dbraw/zinc/02/18/51/1305021851.db2.gz BLMRICDEBUTPRF-UHFFFAOYSA-N -1 0 348.737 3.056 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)n2)c(F)c1 ZINC000783607102 1305114918 /nfs/dbraw/zinc/11/49/18/1305114918.db2.gz IKPIJMPWJGEOBB-UHFFFAOYSA-N -1 0 346.170 3.200 20 30 EGEDRM Cn1ncc2c1nc(N=NC1CC(c3ccc(Cl)cc3)C1)[n-]c2=O ZINC000783845324 1305151603 /nfs/dbraw/zinc/15/16/03/1305151603.db2.gz DXIQIXRGWTVYNX-UHFFFAOYSA-N -1 0 342.790 3.068 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cc(C(F)(F)F)ccn1 ZINC000892464965 1305387291 /nfs/dbraw/zinc/38/72/91/1305387291.db2.gz MMBFFWBFEDMRQT-GFCCVEGCSA-N -1 0 341.333 3.119 20 30 EGEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2coc3ccccc23)c1 ZINC000786538541 1305592437 /nfs/dbraw/zinc/59/24/37/1305592437.db2.gz FWEUFMHEJULNRN-MRXNPFEDSA-N -1 0 332.359 3.380 20 30 EGEDRM Cc1cccc(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)c1 ZINC000786535488 1305593195 /nfs/dbraw/zinc/59/31/95/1305593195.db2.gz RLSWUVIPLRNRJL-MRXNPFEDSA-N -1 0 326.783 3.287 20 30 EGEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2cc(C)c(F)c(C)c2)c1 ZINC000786547254 1305594962 /nfs/dbraw/zinc/59/49/62/1305594962.db2.gz PIMSZACVLZFMJC-KRWDZBQOSA-N -1 0 338.382 3.390 20 30 EGEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2cnc3ccsc3c2)c1 ZINC000786548924 1305595011 /nfs/dbraw/zinc/59/50/11/1305595011.db2.gz OJPGNXSXWBBHLG-HNNXBMFYSA-N -1 0 349.415 3.244 20 30 EGEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2cnc3ccsc3c2)c1 ZINC000786548926 1305595553 /nfs/dbraw/zinc/59/55/53/1305595553.db2.gz OJPGNXSXWBBHLG-OAHLLOKOSA-N -1 0 349.415 3.244 20 30 EGEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1ccc2c(c1)CCO2)c1ccccc1 ZINC000787035345 1305680095 /nfs/dbraw/zinc/68/00/95/1305680095.db2.gz DNMDUTMDHRAGEY-MSOLQXFVSA-N -1 0 348.402 3.211 20 30 EGEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1ccc2c(c1)COC2)c1ccccc1 ZINC000787042808 1305682680 /nfs/dbraw/zinc/68/26/80/1305682680.db2.gz YSRXKYQTPSTQBE-RBUKOAKNSA-N -1 0 348.402 3.307 20 30 EGEDRM C#Cc1cccc([N-]S(=O)(=O)c2c(F)c(F)cc(F)c2F)c1 ZINC000788138277 1305877548 /nfs/dbraw/zinc/87/75/48/1305877548.db2.gz BATPLMQOFXUIMX-UHFFFAOYSA-N -1 0 329.274 3.025 20 30 EGEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)C[C@@H](C)CC ZINC000791781768 1309063166 /nfs/dbraw/zinc/06/31/66/1309063166.db2.gz DCXCVCIQKCQLIR-GXFFZTMASA-N -1 0 332.400 3.136 20 30 EGEDRM O=C([O-])c1ccc(N=NC(C[C@H]2CCOC2)c2ccc(F)cc2)nc1 ZINC000793033529 1309285083 /nfs/dbraw/zinc/28/50/83/1309285083.db2.gz CJZBHJFYPKYXCJ-GFCCVEGCSA-N -1 0 343.358 3.162 20 30 EGEDRM COc1cc2c(cc1OC)C(=NNc1ccc(C(=O)[O-])cc1)CC2 ZINC000794446898 1309529026 /nfs/dbraw/zinc/52/90/26/1309529026.db2.gz DPXWJLZFPCCIKT-UHFFFAOYSA-N -1 0 326.352 3.164 20 30 EGEDRM COCCCOc1ccc(C/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000794679285 1309571451 /nfs/dbraw/zinc/57/14/51/1309571451.db2.gz GHCFPUZCIFOMGI-CPNJWEJPSA-N -1 0 344.367 3.335 20 30 EGEDRM COC(=O)c1csc(C(C)=NNc2ccc(C(=O)[O-])cc2OC)c1 ZINC000794923484 1309622793 /nfs/dbraw/zinc/62/27/93/1309622793.db2.gz PUEFRMSVGZIYFP-UHFFFAOYSA-N -1 0 348.380 3.078 20 30 EGEDRM COc1ccccc1-n1nccc1C=NNc1ccccc1C(=O)[O-] ZINC000797400440 1310184174 /nfs/dbraw/zinc/18/41/74/1310184174.db2.gz BKNRNHDIBHSLOQ-UHFFFAOYSA-N -1 0 336.351 3.025 20 30 EGEDRM Cc1[nH]c(C=NNc2ccc(OCC(F)(F)F)cc2)cc1C(=O)[O-] ZINC000800812185 1310809963 /nfs/dbraw/zinc/80/99/63/1310809963.db2.gz YHZCHVOLKPKNDU-UHFFFAOYSA-N -1 0 341.289 3.408 20 30 EGEDRM CCCCCCCCc1nnc(NC(=O)c2cc(=O)n(C)[n-]2)s1 ZINC000823115166 1320155408 /nfs/dbraw/zinc/15/54/08/1320155408.db2.gz CZAWPPMFHLFATH-UHFFFAOYSA-N -1 0 337.449 3.133 20 30 EGEDRM CCCc1nc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)co1 ZINC000802042667 1316975991 /nfs/dbraw/zinc/97/59/91/1316975991.db2.gz UZRSUDWVNYMTAD-SNVBAGLBSA-N -1 0 349.749 3.381 20 30 EGEDRM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc(Cl)nc3C)nc1-2 ZINC000802094278 1316979366 /nfs/dbraw/zinc/97/93/66/1316979366.db2.gz PTSGEBPEBVIKNY-LLVKDONJSA-N -1 0 325.759 3.113 20 30 EGEDRM Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C/c1cnn(CC3CCC3)c1)CC2 ZINC000899348110 1316997121 /nfs/dbraw/zinc/99/71/21/1316997121.db2.gz PEOPVQVNSRNDEP-VGOFMYFVSA-N -1 0 340.379 3.495 20 30 EGEDRM COc1ccc(C(=O)[O-])cc1/C=C/C(=O)c1cnn(C2CCC2)c1 ZINC000899401719 1317020442 /nfs/dbraw/zinc/02/04/42/1317020442.db2.gz ZJDAWTIJVSBPEV-FNORWQNLSA-N -1 0 326.352 3.211 20 30 EGEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1occ2c1CCC2)c1ccccc1 ZINC000802799104 1317043016 /nfs/dbraw/zinc/04/30/16/1317043016.db2.gz FJRWJJNYZWBCKE-IRXDYDNUSA-N -1 0 336.391 3.358 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)C(C2CCC2)C2CCC2)n1 ZINC000803788332 1317163015 /nfs/dbraw/zinc/16/30/15/1317163015.db2.gz RPWMROHPRVPPAF-CQSZACIVSA-N -1 0 346.452 3.387 20 30 EGEDRM Cc1nc(C(C)(C)C)sc1C(=O)/C=C\c1c(C(=O)[O-])cnn1C ZINC000901457428 1317429232 /nfs/dbraw/zinc/42/92/32/1317429232.db2.gz LDOWPBNYDCRQQA-SREVYHEPSA-N -1 0 333.413 3.077 20 30 EGEDRM Cc1ccccc1-n1cc(/C=C\C(=O)c2cc(F)cc(F)c2[O-])nn1 ZINC000806573398 1317504102 /nfs/dbraw/zinc/50/41/02/1317504102.db2.gz IXEGSIUIECKXQA-SREVYHEPSA-N -1 0 341.317 3.456 20 30 EGEDRM CCSCc1ccnc([N-]S(=O)(=O)c2cccc(C)c2C#N)c1 ZINC000903100261 1317653869 /nfs/dbraw/zinc/65/38/69/1317653869.db2.gz LQRHPEOUVJKYNW-UHFFFAOYSA-N -1 0 347.465 3.316 20 30 EGEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1ocnc1C1CC1)c1ccccc1 ZINC000809003061 1317758035 /nfs/dbraw/zinc/75/80/35/1317758035.db2.gz LPOPYRNMRUTDIY-GJZGRUSLSA-N -1 0 337.379 3.142 20 30 EGEDRM COCCOCc1ccc(/C=C\C(=O)c2ccc(OC)cc2[O-])cc1 ZINC000809157871 1317776909 /nfs/dbraw/zinc/77/69/09/1317776909.db2.gz OPEIREGHQCVJEL-YFHOEESVSA-N -1 0 342.391 3.460 20 30 EGEDRM COc1ccc2c(c1F)C/C(=C\c1ccc(O)c(C(=O)[O-])c1)C2=O ZINC000809158481 1317776965 /nfs/dbraw/zinc/77/69/65/1317776965.db2.gz ZESPUMHOEOKMHI-UXBLZVDNSA-N -1 0 328.295 3.061 20 30 EGEDRM O=C([O-])c1ccc2c(c1)CCCCC2N=Nc1ccc([N+](=O)[O-])cn1 ZINC000811637987 1318216043 /nfs/dbraw/zinc/21/60/43/1318216043.db2.gz PZJYYBAIQOVKSU-UHFFFAOYSA-N -1 0 340.339 3.231 20 30 EGEDRM C=C[C@@H](CC)CC(=O)Nc1cccc(-n2ncc(C(=O)[O-])c2C)c1 ZINC000907647639 1318244392 /nfs/dbraw/zinc/24/43/92/1318244392.db2.gz RIKGNFKDZHFKEN-ZDUSSCGKSA-N -1 0 327.384 3.420 20 30 EGEDRM C=C[C@@](C)(CC)C(=O)Nc1cccc(-n2ncc(C(=O)[O-])c2C)c1 ZINC000909640379 1318509814 /nfs/dbraw/zinc/50/98/14/1318509814.db2.gz MCHKDGKUJONXLH-SFHVURJKSA-N -1 0 327.384 3.420 20 30 EGEDRM N#CC(=C([O-])c1cccc2c[nH]nc21)c1cc(C(F)(F)F)ccn1 ZINC000813213066 1318514074 /nfs/dbraw/zinc/51/40/74/1318514074.db2.gz ILEDNARZCICJKO-LBPRGKRZSA-N -1 0 330.269 3.467 20 30 EGEDRM C#CCC1(C(=O)N[C@H](C)c2ccc(OCC(=O)[O-])cc2)CCCCC1 ZINC000909789995 1318524552 /nfs/dbraw/zinc/52/45/52/1318524552.db2.gz NZGHQOREMCPYBT-OAHLLOKOSA-N -1 0 343.423 3.301 20 30 EGEDRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1ccc(C)c(C#N)c1 ZINC000814016899 1318663596 /nfs/dbraw/zinc/66/35/96/1318663596.db2.gz TWUPIWNPHZDTNB-QGZVFWFLSA-N -1 0 342.420 3.078 20 30 EGEDRM O=c1[n-][nH]c(=O)n1N=Cc1ccccc1Oc1ccc(F)cc1Cl ZINC000814232878 1318706754 /nfs/dbraw/zinc/70/67/54/1318706754.db2.gz PRSNYTORWOBWCQ-UHFFFAOYSA-N -1 0 348.721 3.156 20 30 EGEDRM O=C([O-])c1cccc(CN=Nc2nncc3ccccc32)c1Cl ZINC000814705561 1318802342 /nfs/dbraw/zinc/80/23/42/1318802342.db2.gz GFBURXMOSSPQPV-UHFFFAOYSA-N -1 0 326.743 3.427 20 30 EGEDRM CCOc1ccc(NC(=S)NN=C2CC[C@@H](C(=O)[O-])C[C@H]2C)cc1 ZINC000814717859 1318803975 /nfs/dbraw/zinc/80/39/75/1318803975.db2.gz VFNURRSVCOTBGR-VXGBXAGGSA-N -1 0 349.456 3.249 20 30 EGEDRM C[C@@H]1C[C@@H](C(=O)[O-])CCC1N=Nc1ncnc2sc3c(c21)CCC3 ZINC000814726676 1318806832 /nfs/dbraw/zinc/80/68/32/1318806832.db2.gz ZZAJJJWQXDNVEL-ZJUUUORDSA-N -1 0 344.440 3.469 20 30 EGEDRM CC(CCc1ccc(OCC(=O)[O-])cc1)N=Nc1cccc(C#N)c1 ZINC000814786259 1318816303 /nfs/dbraw/zinc/81/63/03/1318816303.db2.gz BBLRXCPQAXXEEZ-UHFFFAOYSA-N -1 0 337.379 3.442 20 30 EGEDRM C[C@@H]1C(=NNCc2ccc(Br)cc2)CC[C@H]1CC(=O)[O-] ZINC000814829379 1318826780 /nfs/dbraw/zinc/82/67/80/1318826780.db2.gz RMSGBTTUANFRAD-JQWIXIFHSA-N -1 0 339.233 3.416 20 30 EGEDRM CC(CCc1ccc(OCCC(=O)[O-])cc1)N=Nc1ccc(F)cn1 ZINC000814842333 1318830244 /nfs/dbraw/zinc/83/02/44/1318830244.db2.gz CKCXDLFWXAFIIE-UHFFFAOYSA-N -1 0 345.374 3.495 20 30 EGEDRM O=C([O-])c1ccc2c(c1)CCCC2=NNc1nc2ccccc2c(=O)[nH]1 ZINC000814868876 1318834271 /nfs/dbraw/zinc/83/42/71/1318834271.db2.gz LWCKHFAKWVIMLQ-UHFFFAOYSA-N -1 0 348.362 3.186 20 30 EGEDRM C[C@H](CCc1ccc2c(c1)OCO2)NN=C1CC[C@H](CC(=O)[O-])[C@@H]1C ZINC000814924548 1318850398 /nfs/dbraw/zinc/85/03/98/1318850398.db2.gz RHNYPSUZUHMUOH-VNHYZAJKSA-N -1 0 346.427 3.203 20 30 EGEDRM CC(CCc1ccc(OCC(=O)[O-])cc1)N=Nc1ncccc1F ZINC000814926964 1318851039 /nfs/dbraw/zinc/85/10/39/1318851039.db2.gz RHMSETGNFABCPY-UHFFFAOYSA-N -1 0 331.347 3.105 20 30 EGEDRM CC(=NNCc1ccccc1N(C)C)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C ZINC000814925999 1318851613 /nfs/dbraw/zinc/85/16/13/1318851613.db2.gz PUUWCGRMBGCKCW-CVEARBPZSA-N -1 0 331.460 3.355 20 30 EGEDRM CC(N=Nc1cccc(F)n1)c1cccc(OCCCC(=O)[O-])c1 ZINC000814927819 1318851739 /nfs/dbraw/zinc/85/17/39/1318851739.db2.gz ILDPGOIFAMAONC-UHFFFAOYSA-N -1 0 331.347 3.300 20 30 EGEDRM O=c1c2ccccc2[n-]c(=S)n1N=Cc1cccc2cccnc12 ZINC000818269627 1319526427 /nfs/dbraw/zinc/52/64/27/1319526427.db2.gz HQNQUTAWOADLOO-UHFFFAOYSA-N -1 0 332.388 3.116 20 30 EGEDRM COc1ccc(/C=C/C(=O)c2ccc(CC(=O)[O-])cc2)cc1OC ZINC000915991203 1319580888 /nfs/dbraw/zinc/58/08/88/1319580888.db2.gz ZPYXQIFACHBCKW-WEVVVXLNSA-N -1 0 326.348 3.227 20 30 EGEDRM COc1cc(/C=C\C(=O)c2cccc(C)c2)ccc1OCC(=O)[O-] ZINC000916153279 1319611432 /nfs/dbraw/zinc/61/14/32/1319611432.db2.gz KNYAHJPBUBBOJE-VURMDHGXSA-N -1 0 326.348 3.363 20 30 EGEDRM O=C([O-])c1ccc(NN=Cc2cc(Cl)c3c(c2)OCCO3)cc1 ZINC000917022954 1319740306 /nfs/dbraw/zinc/74/03/06/1319740306.db2.gz UAFZZFXFLIXQJT-UHFFFAOYSA-N -1 0 332.743 3.255 20 30 EGEDRM Cc1cc(C=Nn2c([S-])nnc(C)c2=O)c(C)n1C1CCCCC1 ZINC000917027081 1319741643 /nfs/dbraw/zinc/74/16/43/1319741643.db2.gz WEFZQAVQAQAMSI-UHFFFAOYSA-N -1 0 345.472 3.041 20 30 EGEDRM CC(C)COc1ccc(C([O-])=C(C#N)C(=O)NC2CCCC2)cc1 ZINC000917040135 1319743375 /nfs/dbraw/zinc/74/33/75/1319743375.db2.gz KWIGYAOGXYSIEI-KRWDZBQOSA-N -1 0 328.412 3.103 20 30 EGEDRM C=CCO[N-]C(=O)CSc1nnc(-c2ccccc2)n1[C@@H](C)CC ZINC000837046021 1320568902 /nfs/dbraw/zinc/56/89/02/1320568902.db2.gz DHOGFWNAGFESRT-ZDUSSCGKSA-N -1 0 346.456 3.242 20 30 EGEDRM C#CCCCS(=O)(=O)[N-]c1cccc2oc(C(F)(F)F)nc21 ZINC000840946079 1321182852 /nfs/dbraw/zinc/18/28/52/1321182852.db2.gz FLHRJPHXKMLUEO-UHFFFAOYSA-N -1 0 332.303 3.002 20 30 EGEDRM C#CCCCS(=O)(=O)[N-]c1nc(-c2ccc3c(c2)CCC3)cs1 ZINC000840946507 1321183958 /nfs/dbraw/zinc/18/39/58/1321183958.db2.gz OXYVHHHYPZQVRN-UHFFFAOYSA-N -1 0 346.477 3.454 20 30 EGEDRM CO[C@H](CC(C)C)C(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21 ZINC000842280379 1321367149 /nfs/dbraw/zinc/36/71/49/1321367149.db2.gz CEECLQNZWBBCIV-GOEBONIOSA-N -1 0 326.396 3.429 20 30 EGEDRM CC(C)=CCC[C@H](C)CC(=O)[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000842676631 1321416339 /nfs/dbraw/zinc/41/63/39/1321416339.db2.gz DNUGYAUMJPBOIJ-AWEZNQCLSA-N -1 0 334.441 3.136 20 30 EGEDRM Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C\c1ccnn1CC(C)C)CC2 ZINC000843270145 1321496147 /nfs/dbraw/zinc/49/61/47/1321496147.db2.gz XADXFRIEVQMWOQ-WQLSENKSSA-N -1 0 328.368 3.351 20 30 EGEDRM C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cccc(COC2CCCCC2)c1 ZINC000846153365 1321771938 /nfs/dbraw/zinc/77/19/38/1321771938.db2.gz GMBXQKHWGBXQKA-CQSZACIVSA-N -1 0 346.427 3.097 20 30 EGEDRM C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccc(SC(C)(C)C)cc1C ZINC000846153274 1321772106 /nfs/dbraw/zinc/77/21/06/1321772106.db2.gz FFFHPDLDUPMICB-GFCCVEGCSA-N -1 0 336.457 3.446 20 30 EGEDRM C=C[C@@H](C)O[N-]C(=O)[C@H](C)Oc1ccc(C)cc1Br ZINC000846548857 1321793282 /nfs/dbraw/zinc/79/32/82/1321793282.db2.gz GSQMQSYYWSQSCH-MNOVXSKESA-N -1 0 328.206 3.147 20 30 EGEDRM CCOC(=O)[C@@H]1CCC(N=Nc2ccc(CC(=O)[O-])cc2)[C@H](C)C1 ZINC000848415348 1321958410 /nfs/dbraw/zinc/95/84/10/1321958410.db2.gz ZSISHMVYBUDJOB-TZMCWYRMSA-N -1 0 332.400 3.081 20 30 EGEDRM CCCCCCCC[C@H](C)C(=O)[N-]S(=O)(=O)CC(C)(C)C#N ZINC000850930198 1322312048 /nfs/dbraw/zinc/31/20/48/1322312048.db2.gz RUXKDSRSQZZTGU-AWEZNQCLSA-N -1 0 330.494 3.369 20 30 EGEDRM CSc1cc(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)c(C)o1 ZINC000850977383 1322318525 /nfs/dbraw/zinc/31/85/25/1322318525.db2.gz SUUGIACFKIEWRH-OAHLLOKOSA-N -1 0 342.420 3.257 20 30 EGEDRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CC1(C#N)CCCCC1 ZINC000851043627 1322326705 /nfs/dbraw/zinc/32/67/05/1322326705.db2.gz RKZVVABOWJAHQM-MRXNPFEDSA-N -1 0 348.468 3.448 20 30 EGEDRM CCCCCCCC(=O)[N-]S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000851192959 1322350154 /nfs/dbraw/zinc/35/01/54/1322350154.db2.gz YEFWSQDXWNFELG-UHFFFAOYSA-N -1 0 340.420 3.004 20 30 EGEDRM CCC(Cc1ccc(C(F)(F)F)cc1)N=Nc1nnc(C)c(=O)[n-]1 ZINC000853269939 1325074769 /nfs/dbraw/zinc/07/47/69/1325074769.db2.gz CJOIKQDZTOBYEF-UHFFFAOYSA-N -1 0 339.321 3.325 20 30 EGEDRM C=CCCO[N-]C(=O)COc1ccc(Br)cc1Cl ZINC000856029051 1325441434 /nfs/dbraw/zinc/44/14/34/1325441434.db2.gz XYOSAYBIFFABMW-UHFFFAOYSA-N -1 0 334.597 3.105 20 30 EGEDRM C=CCCC(C)(C)NC(=O)c1ccc2c(c1)[n-]c(=S)n(CC)c2=O ZINC000856374051 1325488992 /nfs/dbraw/zinc/48/89/92/1325488992.db2.gz KQIFBWULHOVQBT-UHFFFAOYSA-N -1 0 345.468 3.180 20 30 EGEDRM CC(C)=C[C@@H]1[C@@H](C(=O)OCC([O-])=C(C#N)c2nc(C)cs2)C1(C)C ZINC000927720621 1328119554 /nfs/dbraw/zinc/11/95/54/1328119554.db2.gz RNZVXVQPWVSTSI-NFAWXSAZSA-N -1 0 346.452 3.409 20 30 EGEDRM C=CC[C@H](NC(=O)N(C)C1(C(=O)[O-])CCCCC1)c1ccncc1 ZINC000929034704 1328493428 /nfs/dbraw/zinc/49/34/28/1328493428.db2.gz UYBYPALJESYVNE-HNNXBMFYSA-N -1 0 331.416 3.128 20 30 EGEDRM O=C([O-])Cc1ccc(/C=C2/S/C(=N/C3CCCCC3)NC2=O)cc1 ZINC000863180210 1329532265 /nfs/dbraw/zinc/53/22/65/1329532265.db2.gz HGXATVHVIOAQIM-XNTDXEJSSA-N -1 0 344.436 3.206 20 30 EGEDRM CC(=NNCC(F)(F)C(F)(F)F)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C ZINC000863183336 1329532582 /nfs/dbraw/zinc/53/25/82/1329532582.db2.gz VOKBVYVLVXHYQM-BDAKNGLRSA-N -1 0 330.297 3.287 20 30 EGEDRM COC(=O)c1cc(-c2cc(C#N)ccc2[O-])cn1C(=O)OC(C)(C)C ZINC000863711702 1329576397 /nfs/dbraw/zinc/57/63/97/1329576397.db2.gz ICKXOCMHAAVUMV-UHFFFAOYSA-N -1 0 342.351 3.302 20 30 EGEDRM C[C@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC001323564265 1387390271 /nfs/dbraw/zinc/39/02/71/1387390271.db2.gz RLEXTJCCIVSQPF-CQSZACIVSA-N -1 0 340.489 3.123 20 30 EGEDRM O=C(CCC(=O)N1CCOC[C@@H]1c1ccc(Cl)cc1)C1=CC=C[CH]1 ZINC001184243168 1387418780 /nfs/dbraw/zinc/41/87/80/1387418780.db2.gz DXSAQLKKISPMGM-QGZVFWFLSA-N -1 0 344.818 3.290 20 30 EGEDRM O=C(CCC(=O)N1C[C@H]2[C@@H](C1)CCC[C@@H]2OCC1CC1)C1=CC=C[CH]1 ZINC001184245594 1387419560 /nfs/dbraw/zinc/41/95/60/1387419560.db2.gz ZBCSFNUYNIGVCL-HBFSDRIKSA-N -1 0 342.459 3.090 20 30 EGEDRM N#Cc1c(Cl)cccc1[N-]S(=O)(=O)c1cccnc1Cl ZINC001184875125 1387552058 /nfs/dbraw/zinc/55/20/58/1387552058.db2.gz GXNUVYIZZAETSI-UHFFFAOYSA-N -1 0 328.180 3.061 20 30 EGEDRM Cc1cnc(C#N)c([N-]S(=O)(=O)c2cc3ccccc3s2)c1 ZINC001185425654 1387713370 /nfs/dbraw/zinc/71/33/70/1387713370.db2.gz VYMJGRWGRDKCQR-UHFFFAOYSA-N -1 0 329.406 3.277 20 30 EGEDRM N#Cc1c(F)c(Cl)ccc1[N-]S(=O)(=O)c1ccc(Cl)nc1 ZINC001185688072 1387778271 /nfs/dbraw/zinc/77/82/71/1387778271.db2.gz YUJYLAKXUILNHD-UHFFFAOYSA-N -1 0 346.170 3.200 20 30 EGEDRM N#Cc1ncccc1[N-]S(=O)(=O)c1ccc(F)c2ccccc21 ZINC001189354940 1367001695 /nfs/dbraw/zinc/00/16/95/1367001695.db2.gz BZKURQFZMNRTCP-UHFFFAOYSA-N -1 0 327.340 3.046 20 30 EGEDRM N#Cc1cc(Cc2ccccc2)sc1[N-]S(=O)(=O)CCCF ZINC001189865054 1367120936 /nfs/dbraw/zinc/12/09/36/1367120936.db2.gz HOOVUSGHWLKTOP-UHFFFAOYSA-N -1 0 338.429 3.312 20 30 EGEDRM N#Cc1c(F)ccc(F)c1[N-]S(=O)(=O)c1cc(F)cc(F)c1F ZINC001190395116 1367251749 /nfs/dbraw/zinc/25/17/49/1367251749.db2.gz BZASQWONPIYQOZ-UHFFFAOYSA-N -1 0 348.252 3.055 20 30 EGEDRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2cccnc2C#N)cc1 ZINC001190423950 1367261733 /nfs/dbraw/zinc/26/17/33/1367261733.db2.gz SYKORFYJMQDQBJ-UHFFFAOYSA-N -1 0 329.425 3.442 20 30 EGEDRM CC(C)Oc1cccc([N-]S(=O)(=O)c2cc(C#N)ccc2F)c1 ZINC001190647755 1367315056 /nfs/dbraw/zinc/31/50/56/1367315056.db2.gz JQXVNWRTTNVRQV-UHFFFAOYSA-N -1 0 334.372 3.285 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cccc3c2C(=O)CCC3)c1 ZINC001190655199 1367319124 /nfs/dbraw/zinc/31/91/24/1367319124.db2.gz AHDPYRVHAATQSE-UHFFFAOYSA-N -1 0 344.367 3.017 20 30 EGEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc3ncoc3c2)c1 ZINC001190932314 1367384562 /nfs/dbraw/zinc/38/45/62/1367384562.db2.gz HEOPMPOVXOEEIM-UHFFFAOYSA-N -1 0 333.756 3.154 20 30 EGEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cnc3occc3c2)c1 ZINC001190942334 1367387533 /nfs/dbraw/zinc/38/75/33/1367387533.db2.gz DKBPVARPIINDFC-UHFFFAOYSA-N -1 0 333.756 3.154 20 30 EGEDRM Cc1noc2ccc([N-]S(=O)(=O)c3cc(C#N)ccc3Cl)cc12 ZINC001190970026 1367391614 /nfs/dbraw/zinc/39/16/14/1367391614.db2.gz WYVMFZPUHPGPMQ-UHFFFAOYSA-N -1 0 347.783 3.462 20 30 EGEDRM C#Cc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)cc1F ZINC001190981403 1367394456 /nfs/dbraw/zinc/39/44/56/1367394456.db2.gz JPHLZHSBMQMBLW-UHFFFAOYSA-N -1 0 334.759 3.133 20 30 EGEDRM N#CCc1cc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)ccc1F ZINC001190986008 1367395803 /nfs/dbraw/zinc/39/58/03/1367395803.db2.gz KJNQEAKHCHOCNX-UHFFFAOYSA-N -1 0 349.774 3.218 20 30 EGEDRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccc(C#N)c(C#N)c2)c1 ZINC001191185895 1367441265 /nfs/dbraw/zinc/44/12/65/1367441265.db2.gz FJCWXKJSFHBXJB-UHFFFAOYSA-N -1 0 348.387 3.087 20 30 EGEDRM CCCCc1ccc(S(=O)(=O)[N-]c2cc(C#N)cnc2C)cc1 ZINC001191233530 1367453899 /nfs/dbraw/zinc/45/38/99/1367453899.db2.gz PGCNSCLOAKFHRT-UHFFFAOYSA-N -1 0 329.425 3.405 20 30 EGEDRM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1ccc(C#N)cc1O ZINC001191698877 1367563975 /nfs/dbraw/zinc/56/39/75/1367563975.db2.gz XHNLRIWHYRVSPT-UHFFFAOYSA-N -1 0 346.408 3.197 20 30 EGEDRM N#Cc1cc(F)ccc1[N-]S(=O)(=O)Cc1ccc(Cl)cc1F ZINC001191904277 1367632855 /nfs/dbraw/zinc/63/28/55/1367632855.db2.gz TWPNDHULZZGDDS-UHFFFAOYSA-N -1 0 342.754 3.432 20 30 EGEDRM COc1cc(C(=O)Nc2cc(C#N)c(F)cc2[O-])c(F)c(F)c1F ZINC001193054103 1367932771 /nfs/dbraw/zinc/93/27/71/1367932771.db2.gz JMRJSTPYZOOYKH-UHFFFAOYSA-N -1 0 340.232 3.081 20 30 EGEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1cccc2c(Br)cccc12 ZINC001193097874 1367943735 /nfs/dbraw/zinc/94/37/35/1367943735.db2.gz UODGNRPMDPHJLB-VIFPVBQESA-N -1 0 339.214 3.256 20 30 EGEDRM CC(=O)Nc1ccc(NC(=O)c2ccc([O-])c(C#N)c2)cc1Cl ZINC001193506484 1368047515 /nfs/dbraw/zinc/04/75/15/1368047515.db2.gz SJGIGDULBBFGDY-UHFFFAOYSA-N -1 0 329.743 3.128 20 30 EGEDRM O=c1c2ccccc2[n-]c(=S)n1N=CCCc1ccc(F)cc1 ZINC001325279481 1387927556 /nfs/dbraw/zinc/92/75/56/1387927556.db2.gz PVLAZONETRZUFA-UHFFFAOYSA-N -1 0 327.384 3.291 20 30 EGEDRM C=CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1c(C)cccc1C ZINC001194642224 1368301280 /nfs/dbraw/zinc/30/12/80/1368301280.db2.gz BLMSTROVSUAICQ-UHFFFAOYSA-N -1 0 345.420 3.447 20 30 EGEDRM N#Cc1ccccc1NC(=S)Nc1nc(Br)ccc1O ZINC001196286107 1368583662 /nfs/dbraw/zinc/58/36/62/1368583662.db2.gz LXYSXKNDOSEKOL-UHFFFAOYSA-N -1 0 349.213 3.230 20 30 EGEDRM N#Cc1cccc(-c2cc(O)cc(C(=O)N3CCC[C@H](C#N)C3)c2)c1 ZINC001196316012 1368587442 /nfs/dbraw/zinc/58/74/42/1368587442.db2.gz NJUOIVFEVRPOJY-OAHLLOKOSA-N -1 0 331.375 3.307 20 30 EGEDRM Cc1cc(C#N)ccc1[N-]S(=O)(=O)c1cc(Cl)ccc1C#N ZINC001196639600 1368654517 /nfs/dbraw/zinc/65/45/17/1368654517.db2.gz LKVARRUDIDMDNN-UHFFFAOYSA-N -1 0 331.784 3.193 20 30 EGEDRM CCc1ncsc1[N-]S(=O)(=O)c1cc(Cl)ccc1C#N ZINC001196651836 1368656171 /nfs/dbraw/zinc/65/61/71/1368656171.db2.gz KSUVNTLMCXRCKL-UHFFFAOYSA-N -1 0 327.818 3.031 20 30 EGEDRM COc1ccc(F)c(S(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2)c1 ZINC001196719830 1368670102 /nfs/dbraw/zinc/67/01/02/1368670102.db2.gz TZYNZEYGAHKFTL-UHFFFAOYSA-N -1 0 340.763 3.160 20 30 EGEDRM N#Cc1cccc(-c2cc(C(=O)Nc3cc(C#N)c(F)cc3[O-])no2)c1 ZINC001196768089 1368679622 /nfs/dbraw/zinc/67/96/22/1368679622.db2.gz KYYYDUQGYYVOBU-UHFFFAOYSA-N -1 0 348.293 3.182 20 30 EGEDRM N#C[C@@H](NC(=S)Nc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1 ZINC001197127659 1368749698 /nfs/dbraw/zinc/74/96/98/1368749698.db2.gz XUWDVJQTLNIUQE-CQSZACIVSA-N -1 0 329.356 3.075 20 30 EGEDRM CCCCCCCC(=O)c1ccc([O-])c(C(=O)N[C@H]2C[C@H](O)C2)c1 ZINC001197364868 1368799331 /nfs/dbraw/zinc/79/93/31/1368799331.db2.gz DPJKYYJZBGYXBK-SHTZXODSSA-N -1 0 333.428 3.189 20 30 EGEDRM CCCCCCCC(=O)c1ccc([O-])c(C(=O)N2C[C@H](O)[C@@H](C)C2)c1 ZINC001197366212 1368799373 /nfs/dbraw/zinc/79/93/73/1368799373.db2.gz RQEIXXPPJQJHOH-LIRRHRJNSA-N -1 0 347.455 3.388 20 30 EGEDRM COc1cc(S(=O)(=O)[N-]c2c(C)ccc(C)c2C#N)ccc1F ZINC001200559440 1369389236 /nfs/dbraw/zinc/38/92/36/1369389236.db2.gz MUBPQYKZIDVXSD-UHFFFAOYSA-N -1 0 334.372 3.124 20 30 EGEDRM CCC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C#N)c1 ZINC001201321972 1369519523 /nfs/dbraw/zinc/51/95/23/1369519523.db2.gz AQTYSXJIDOLUDJ-UHFFFAOYSA-N -1 0 328.393 3.260 20 30 EGEDRM Cc1nc(Cl)sc1S(=O)(=O)[N-]c1c(C)cccc1C#N ZINC001201760223 1369618219 /nfs/dbraw/zinc/61/82/19/1369618219.db2.gz GMTMXFGPFXLTPD-UHFFFAOYSA-N -1 0 327.818 3.086 20 30 EGEDRM CCCCCCCCCCS(=O)(=O)[N-]c1cccnc1C(N)=O ZINC001201833677 1369630844 /nfs/dbraw/zinc/63/08/44/1369630844.db2.gz AZXQOTNLLFYRNE-UHFFFAOYSA-N -1 0 341.477 3.063 20 30 EGEDRM N#Cc1ccc(-c2ccccc2[N-]S(=O)(=O)c2ccco2)nc1 ZINC001186863703 1388017469 /nfs/dbraw/zinc/01/74/69/1388017469.db2.gz SRXZESZBQUCFKA-UHFFFAOYSA-N -1 0 325.349 3.014 20 30 EGEDRM N#Cc1cccc(NC(=O)Nc2nc(Br)ccc2[O-])c1 ZINC001202777869 1369887741 /nfs/dbraw/zinc/88/77/41/1369887741.db2.gz IAAFWNXCZPNTMU-UHFFFAOYSA-N -1 0 333.145 3.065 20 30 EGEDRM N#Cc1cc(F)ccc1[N-]S(=O)(=O)c1cc2c(s1)CCCC2 ZINC001187208507 1388072315 /nfs/dbraw/zinc/07/23/15/1388072315.db2.gz FJJDSKROLXMLDA-UHFFFAOYSA-N -1 0 336.413 3.438 20 30 EGEDRM CC(C)(C)OC(=O)N1CC(c2cc(C#N)cc([N-]c3nnco3)c2)C1 ZINC001204645670 1370536211 /nfs/dbraw/zinc/53/62/11/1370536211.db2.gz XSFKSRXRZOUYPQ-UHFFFAOYSA-N -1 0 341.371 3.019 20 30 EGEDRM COc1c(F)cc(F)cc1-c1noc(CCC(=O)C2=CC=C[CH]2)n1 ZINC001204656207 1370537884 /nfs/dbraw/zinc/53/78/84/1370537884.db2.gz FXNADEROBXZJFL-UHFFFAOYSA-N -1 0 331.298 3.226 20 30 EGEDRM O=C(CCc1nc(-c2ccc(C(F)(F)F)nc2)no1)C1=CC=C[CH]1 ZINC001204656997 1370538459 /nfs/dbraw/zinc/53/84/59/1370538459.db2.gz XUJPOQRRLYCLHQ-UHFFFAOYSA-N -1 0 334.277 3.353 20 30 EGEDRM N#Cc1nc(-c2ccsc2C(=O)[O-])c(-c2ccccc2)nc1C#N ZINC001205564890 1370792825 /nfs/dbraw/zinc/79/28/25/1370792825.db2.gz DSIKKUWZOFPMQU-UHFFFAOYSA-N -1 0 332.344 3.314 20 30 EGEDRM C[C@H]1CCc2nc([N-]S(=O)(=O)c3cccc(CC#N)c3)sc2C1 ZINC001117687488 1371064286 /nfs/dbraw/zinc/06/42/86/1371064286.db2.gz MVHAZMYJENZACP-NSHDSACASA-N -1 0 347.465 3.135 20 30 EGEDRM Cc1ccc(-n2ncc(C#N)c2Nc2cccc(CC(=O)[O-])c2)cc1 ZINC001210068200 1372265705 /nfs/dbraw/zinc/26/57/05/1372265705.db2.gz MNKAMRNHMJJZPH-UHFFFAOYSA-N -1 0 332.363 3.423 20 30 EGEDRM N#Cc1cncc(Nc2ccc(S(=O)(=O)[O-])c3ccccc23)c1 ZINC001210086306 1372268861 /nfs/dbraw/zinc/26/88/61/1372268861.db2.gz CPQBGZPKNGFCIG-UHFFFAOYSA-N -1 0 325.349 3.097 20 30 EGEDRM N#Cc1cc(N)c(Nc2ccc(C(=O)[O-])c(C(F)(F)F)c2)cc1C#N ZINC001211490437 1372567441 /nfs/dbraw/zinc/56/74/41/1372567441.db2.gz XTQVPSHGERKDBM-UHFFFAOYSA-N -1 0 346.268 3.473 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCCC[C@@H]2c2ccccc2)o1 ZINC001211866240 1372624104 /nfs/dbraw/zinc/62/41/04/1372624104.db2.gz YWHQFZOVNQTGPV-DOTOQJQBSA-N -1 0 344.436 3.404 20 30 EGEDRM N#Cc1cc(Cl)c(-c2noc(-c3cc([O-])[nH]c(=O)c3)n2)cc1Cl ZINC001212566499 1372729492 /nfs/dbraw/zinc/72/94/92/1372729492.db2.gz XWCVHDMWIYVNTE-UHFFFAOYSA-N -1 0 349.133 3.388 20 30 EGEDRM COc1ccc(Nc2cc(S(=O)(=O)[O-])ccc2Cl)c(C#N)c1 ZINC001212785379 1372771361 /nfs/dbraw/zinc/77/13/61/1372771361.db2.gz QJLJYCPZBZCKMO-UHFFFAOYSA-N -1 0 338.772 3.211 20 30 EGEDRM N#C[C@H]1CC=C(Nc2ccc3c(O)cc(S(=O)(=O)[O-])cc3c2)CC1 ZINC001212863912 1372787054 /nfs/dbraw/zinc/78/70/54/1372787054.db2.gz JMXGOBLBIFWPAL-NSHDSACASA-N -1 0 344.392 3.412 20 30 EGEDRM N#Cc1ccc(-c2noc(-c3nc[n-]c3[N+](=O)[O-])n2)c2ccccc12 ZINC001212892909 1372791246 /nfs/dbraw/zinc/79/12/46/1372791246.db2.gz BOJCCBZHISGBEP-UHFFFAOYSA-N -1 0 332.279 3.060 20 30 EGEDRM N#Cc1cccc(-c2nc(-c3ccc4c(c3)CCCC4=O)no2)c1[O-] ZINC001216980283 1373375070 /nfs/dbraw/zinc/37/50/70/1373375070.db2.gz ZHQFMYJLEZQNPX-UHFFFAOYSA-N -1 0 331.331 3.500 20 30 EGEDRM N#CCCN(Cc1cccnc1)C(=O)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188571786 1388332902 /nfs/dbraw/zinc/33/29/02/1388332902.db2.gz DMJMELRGPGTDJH-UHFFFAOYSA-N -1 0 349.312 3.362 20 30 EGEDRM C=CC[C@@H](NC(=O)NCc1ccc(OC2CCCCC2)cc1)C(=O)[O-] ZINC001326929124 1388353146 /nfs/dbraw/zinc/35/31/46/1388353146.db2.gz CJKAKZFUJPZRSR-QGZVFWFLSA-N -1 0 346.427 3.227 20 30 EGEDRM C=CC[C@H](NC(=O)Nc1ccc(C)c(-c2nc(C)co2)c1)C(=O)[O-] ZINC001326930108 1388353988 /nfs/dbraw/zinc/35/39/88/1388353988.db2.gz JGAVVNGPZSHXNL-AWEZNQCLSA-N -1 0 329.356 3.109 20 30 EGEDRM C[C@H](Oc1[n-]c(=O)c(F)cc1C#N)c1cccc(Br)n1 ZINC001226014471 1375190618 /nfs/dbraw/zinc/19/06/18/1375190618.db2.gz XSJBOBIRMFMQHB-ZETCQYMHSA-N -1 0 338.136 3.095 20 30 EGEDRM C=C[C@@H](CCCCC)Oc1c(C(=O)OCC)c[nH]c(=O)c1[N+](=O)[O-] ZINC001226307565 1375236280 /nfs/dbraw/zinc/23/62/80/1375236280.db2.gz NDSONQNHYYVXRZ-NSHDSACASA-N -1 0 338.360 3.386 20 30 EGEDRM C=C[C@@H](CCC)Oc1cc(O)cc([O-])c1C(=O)c1ccc(O)c(O)c1 ZINC001228520259 1375585606 /nfs/dbraw/zinc/58/56/06/1375585606.db2.gz XLSPOQFJMWORFU-ZDUSSCGKSA-N -1 0 344.363 3.474 20 30 EGEDRM C[C@H](Oc1[n-]c(=O)ccc1C#N)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001228898224 1375709074 /nfs/dbraw/zinc/70/90/74/1375709074.db2.gz DEVPYQRTZCVBCI-LBPRGKRZSA-N -1 0 347.415 3.073 20 30 EGEDRM C=C[C@H](CC(=O)OC(C)(C)C)Oc1[n-]c(=O)nc2cc(F)ccc21 ZINC001230881620 1376174245 /nfs/dbraw/zinc/17/42/45/1376174245.db2.gz ACTBAUKCIDXQPE-LLVKDONJSA-N -1 0 334.347 3.140 20 30 EGEDRM CCOC([O-])=NC(=S)N=c1[nH]cccc1-c1ccc(F)c(C#N)c1 ZINC001235899655 1376913782 /nfs/dbraw/zinc/91/37/82/1376913782.db2.gz MDFLJKOBVBMJJQ-UHFFFAOYSA-N -1 0 344.371 3.202 20 30 EGEDRM COc1cc(C#N)cc(-c2cc(C(=O)[O-])ccc2C)c1OC(C)=O ZINC001241000271 1377018776 /nfs/dbraw/zinc/01/87/76/1377018776.db2.gz AEEZKMULVMTCCV-UHFFFAOYSA-N -1 0 325.320 3.166 20 30 EGEDRM N#Cc1cnn(C2CCOCC2)c1Nc1ccc(C(=O)[O-])cc1Cl ZINC001248551945 1377069008 /nfs/dbraw/zinc/06/90/08/1377069008.db2.gz ZLYXOGYMCVSHHI-UHFFFAOYSA-N -1 0 346.774 3.201 20 30 EGEDRM C=CCOC(=O)N1CCN(Cc2cc(Cl)c([O-])c(Cl)c2)CC1 ZINC001140836059 1378156159 /nfs/dbraw/zinc/15/61/59/1378156159.db2.gz KOMRGYZNOUWHSG-UHFFFAOYSA-N -1 0 345.226 3.139 20 30 EGEDRM N#Cc1cc(NC(=O)CCCC(=O)Nc2ccccc2)c([O-])cc1F ZINC001143563786 1378617701 /nfs/dbraw/zinc/61/77/01/1378617701.db2.gz LBNQNHLMRAONLT-UHFFFAOYSA-N -1 0 341.342 3.150 20 30 EGEDRM C[C@H](C#N)c1ccc(NC(=O)c2cc(=O)n(-c3ccccc3)[n-]2)cc1 ZINC001147883553 1379097091 /nfs/dbraw/zinc/09/70/91/1379097091.db2.gz FWQJXRDVILXUQK-CYBMUJFWSA-N -1 0 332.363 3.045 20 30 EGEDRM CC(=O)Nc1ccc(Cl)c(C(=O)Nc2cc(C#N)c(F)cc2[O-])c1 ZINC001148858349 1379284977 /nfs/dbraw/zinc/28/49/77/1379284977.db2.gz BXPANOPBHLNLOR-UHFFFAOYSA-N -1 0 347.733 3.267 20 30 EGEDRM N#CCOc1cc(F)ccc1NC(=O)c1ncc2ccccc2c1[O-] ZINC001150696337 1379597040 /nfs/dbraw/zinc/59/70/40/1379597040.db2.gz WEPLNGHYKBUJDK-UHFFFAOYSA-N -1 0 337.310 3.234 20 30 EGEDRM C#C[C@](C)(CC)Nc1ncccc1S(=O)(=O)[N-]c1cccc(F)c1 ZINC001158743277 1381379402 /nfs/dbraw/zinc/37/94/02/1381379402.db2.gz SQKQCXSWNHSJIG-QGZVFWFLSA-N -1 0 347.415 3.235 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1Nc1cnc(C#N)c(C(F)(F)F)c1 ZINC001174674616 1385132988 /nfs/dbraw/zinc/13/29/88/1385132988.db2.gz CHQPLFCUVUEKIW-UHFFFAOYSA-N -1 0 337.257 3.422 20 30 EGEDRM N#Cc1cnnc(-c2ccccc2)c1Nc1ccc(CC(=O)[O-])cc1 ZINC001174949412 1385173447 /nfs/dbraw/zinc/17/34/47/1385173447.db2.gz GZWFQWPWUSHBMG-UHFFFAOYSA-N -1 0 330.347 3.386 20 30 EGEDRM CCOC(=O)c1c(C)oc(Nc2cc(C(=O)[O-])ccc2C)c1C#N ZINC001174983827 1385178708 /nfs/dbraw/zinc/17/87/08/1385178708.db2.gz SQBVKEZXCGTLEQ-UHFFFAOYSA-N -1 0 328.324 3.387 20 30 EGEDRM COC(=O)c1scc(C#N)c1Nc1c(F)cc(F)c([O-])c1F ZINC001176664155 1385650408 /nfs/dbraw/zinc/65/04/08/1385650408.db2.gz MEJWIZGUTZWLOD-UHFFFAOYSA-N -1 0 328.271 3.273 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)c2cnc(Cl)cc2Cl)cc1 ZINC001319816103 1386312133 /nfs/dbraw/zinc/31/21/33/1386312133.db2.gz QTUKLLMXNFPKFC-UHFFFAOYSA-N -1 0 328.180 3.061 20 30 EGEDRM C=CC[C@H](NC(=O)NCc1ccccc1Oc1ccccc1)C(=O)[O-] ZINC001322512816 1387198889 /nfs/dbraw/zinc/19/88/89/1387198889.db2.gz AMAIIRHWQBIOHL-INIZCTEOSA-N -1 0 340.379 3.307 20 30 EGEDRM C=CCn1c(-c2c[n-]n(CC)c2=O)nnc1N1CCCCCCCC1 ZINC001340206876 1390250268 /nfs/dbraw/zinc/25/02/68/1390250268.db2.gz DLRDVGWNZHCIFR-UHFFFAOYSA-N -1 0 344.463 3.214 20 30 EGEDRM O=C([O-])c1csc(C=NNc2cncc(Br)c2)c1 ZINC001341193662 1390454502 /nfs/dbraw/zinc/45/45/02/1390454502.db2.gz VTICGEMJSKBBRC-UHFFFAOYSA-N -1 0 326.175 3.050 20 30 EGEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1cc(-n2cccc2)ccc1Cl ZINC001341916683 1390549307 /nfs/dbraw/zinc/54/93/07/1390549307.db2.gz CUQRPUOKZVEOBT-OAHLLOKOSA-N -1 0 341.798 3.076 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2ccc3cc(OC)ccc3c2)CC1 ZINC001343534324 1390720739 /nfs/dbraw/zinc/72/07/39/1390720739.db2.gz KSJZPBNFEJTVDJ-UHFFFAOYSA-N -1 0 345.420 3.017 20 30 EGEDRM C=CC[C@H](NC(=O)N[C@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC001344466357 1390793041 /nfs/dbraw/zinc/79/30/41/1390793041.db2.gz ZVEFAYKGBLZMNT-SKDRFNHKSA-N -1 0 330.306 3.095 20 30 EGEDRM CCn1c(C([O-])=C(C#N)C(=O)NC2CCCCC2)cc2ccccc21 ZINC001344559885 1390799575 /nfs/dbraw/zinc/79/95/75/1390799575.db2.gz WSZNKMYCOUUFSX-MRXNPFEDSA-N -1 0 337.423 3.433 20 30 EGEDRM C=CC[C@@H](NC(=O)NCc1ccc(C)cc1O[C@H](C)CC)C(=O)[O-] ZINC001348023250 1391161695 /nfs/dbraw/zinc/16/16/95/1391161695.db2.gz DWIDQKDRABGJRM-UKRRQHHQSA-N -1 0 334.416 3.001 20 30 EGEDRM C[C@@H]1CCc2nc(C=NNc3ccc(CC(=O)[O-])cc3)sc2C1 ZINC001349823438 1391372452 /nfs/dbraw/zinc/37/24/52/1391372452.db2.gz MJLFXNPKFBMMNE-LLVKDONJSA-N -1 0 329.425 3.341 20 30 EGEDRM COc1cc(C)ccc1C(=O)C=Cc1ccc(-c2nn[n-]n2)s1 ZINC000821707918 1428971566 /nfs/dbraw/zinc/97/15/66/1428971566.db2.gz HRDFTRSBSKAFJT-QPJJXVBHSA-N -1 0 326.381 3.141 20 30 EGEDRM C=CCCCNc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000823894006 1429567910 /nfs/dbraw/zinc/56/79/10/1429567910.db2.gz DNIISERMFKKWML-UHFFFAOYSA-N -1 0 329.795 3.084 20 30 EGEDRM C#CCCCSc1nc(C)cc(C(F)(F)F)c1-c1nn[n-]n1 ZINC000823840971 1423684233 /nfs/dbraw/zinc/68/42/33/1423684233.db2.gz HGCCXPJNYCENQZ-UHFFFAOYSA-N -1 0 327.335 3.094 20 30 EGEDRM CCCCC[C@@H](C)CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000821049305 1424129533 /nfs/dbraw/zinc/12/95/33/1424129533.db2.gz KLHOUOOPWLHEBX-GFCCVEGCSA-N -1 0 326.404 3.283 20 30 EGEDRM C=CCCC(=O)Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000735409240 1424681391 /nfs/dbraw/zinc/68/13/91/1424681391.db2.gz WGCFQFWGPWDNMT-UHFFFAOYSA-N -1 0 349.394 3.350 20 30 EGEDRM O=C(C=Cc1coc(-c2ccccc2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737808443 1429773077 /nfs/dbraw/zinc/77/30/77/1429773077.db2.gz TXQLRPZZPOWCFZ-KHPPLWFESA-N -1 0 343.346 3.418 20 30 EGEDRM O=C1c2cc(Cl)ccc2CC1=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000826475821 1425178925 /nfs/dbraw/zinc/17/89/25/1425178925.db2.gz RZTVDYMOMLGBGD-WUXMJOGZSA-N -1 0 340.745 3.482 20 30 EGEDRM O=C1C(=Cc2ccc(-c3nn[n-]n3)s2)CCc2cc(F)ccc21 ZINC000823505321 1425690480 /nfs/dbraw/zinc/69/04/80/1425690480.db2.gz ZXUOXBYFYVZOCO-NTMALXAHSA-N -1 0 326.356 3.280 20 30 EGEDRM C[C@H]1c2c(c(O)ccc2F)C(=O)C1=Cc1cc(-c2nnn[n-]2)cs1 ZINC000820643752 1426350844 /nfs/dbraw/zinc/35/08/44/1426350844.db2.gz YTKHYJRYYHLNLQ-SUKXWOPLSA-N -1 0 342.355 3.156 20 30 EGEDRM C=C[C@H](CC(=O)OCc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000823883183 1427180069 /nfs/dbraw/zinc/18/00/69/1427180069.db2.gz KIDPNWISTDPEPA-CQSZACIVSA-N -1 0 334.379 3.270 20 30 EGEDRM CCOc1cccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000821426311 1427400188 /nfs/dbraw/zinc/40/01/88/1427400188.db2.gz BZMXXJREYXUQMM-CMDGGOBGSA-N -1 0 338.342 3.301 20 30 EGEDRM Clc1ccc(C=NNCc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000822573705 1429872296 /nfs/dbraw/zinc/87/22/96/1429872296.db2.gz FGJCMXRVNLMWOG-UHFFFAOYSA-N -1 0 347.209 3.297 20 30 EGEDRM O=C1c2cc(F)ccc2CCC1=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000826475431 1430202967 /nfs/dbraw/zinc/20/29/67/1430202967.db2.gz GDRJFUZMNBOPKO-KPKJPENVSA-N -1 0 338.317 3.357 20 30 EGEDRM O=C1C(=Cc2ccc3c(c2)CCO3)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000823505194 1441943660 /nfs/dbraw/zinc/94/36/60/1441943660.db2.gz YVNATJVDLCFWFI-GDNBJRDFSA-N -1 0 344.374 3.014 20 30 EGEDRM FC(F)(F)c1ccc(CON=Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826368141 1442158809 /nfs/dbraw/zinc/15/88/09/1442158809.db2.gz DAVPGWWZQHZADS-UHFFFAOYSA-N -1 0 347.300 3.436 20 30 EGEDRM CCC(CC)CN(CCC#N)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000825108065 1442215505 /nfs/dbraw/zinc/21/55/05/1442215505.db2.gz UUDIJSHMFHNXTA-UHFFFAOYSA-N -1 0 333.827 3.071 20 30 EGEDRM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1cccc(F)c1F ZINC000823504280 1443246117 /nfs/dbraw/zinc/24/61/17/1443246117.db2.gz OJSCWBMKEKUKMG-FMIVXFBMSA-N -1 0 338.317 3.357 20 30 EGEDRM CCCCCCCCOCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000736448118 1443431628 /nfs/dbraw/zinc/43/16/28/1443431628.db2.gz JUGVCJCOOKLYNV-UHFFFAOYSA-N -1 0 337.449 3.244 20 30 EGEDRM N#Cc1cc(F)ccc1CSCc1cccc(-c2nn[n-]n2)c1F ZINC000826384207 1443498950 /nfs/dbraw/zinc/49/89/50/1443498950.db2.gz LOOURFIFUYDWTO-UHFFFAOYSA-N -1 0 343.362 3.450 20 30 EGEDRM CCCCCCCCC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821048958 1443840793 /nfs/dbraw/zinc/84/07/93/1443840793.db2.gz HFSHTVGWINMQBL-UHFFFAOYSA-N -1 0 333.411 3.373 20 30 EGEDRM CCO[C@H]1CC(N=Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1(C)C ZINC000825576127 1443927173 /nfs/dbraw/zinc/92/71/73/1443927173.db2.gz CNIALUMVDHTDHN-ZDUSSCGKSA-N -1 0 334.811 3.123 20 30 EGEDRM C[C@@H](Nc1ccc(F)cc1OCC#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000820456911 1443928549 /nfs/dbraw/zinc/92/85/49/1443928549.db2.gz WZUZVXQTZVIGMV-LLVKDONJSA-N -1 0 338.346 3.081 20 30 EGEDRM CCOc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000825649077 1444027980 /nfs/dbraw/zinc/02/79/80/1444027980.db2.gz KQJBKJBBODHUGQ-TWGQIWQCSA-N -1 0 338.342 3.301 20 30 EGEDRM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1cc2c(s1)CCC2 ZINC000822923780 1446526069 /nfs/dbraw/zinc/52/60/69/1446526069.db2.gz UHATZTVFJMFDDP-PLNGDYQASA-N -1 0 328.422 3.375 20 30 EGEDRM CCCC[C@H](CCC)Sc1nc(N)c(-c2nn[n-]n2)cc1C#N ZINC000736438533 1446919601 /nfs/dbraw/zinc/91/96/01/1446919601.db2.gz NTNXGXNCBLKVDW-NSHDSACASA-N -1 0 331.449 3.167 20 30 EGEDRM Cn1cc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)c2ccccc21 ZINC000822670000 1446986882 /nfs/dbraw/zinc/98/68/82/1446986882.db2.gz XVOGPIISWUFZJB-VOTSOKGWSA-N -1 0 335.392 3.316 20 30 EGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C=C1CC[C@H](C)C1 ZINC000819743853 1447205665 /nfs/dbraw/zinc/20/56/65/1447205665.db2.gz RBESHKDCKHEEKG-YEQVNJDRSA-N -1 0 337.427 3.128 20 30 EGEDRM C[C@H](CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)CC(C)(C)C ZINC000735974921 1447325503 /nfs/dbraw/zinc/32/55/03/1447325503.db2.gz DPDWGNUFLLGNDC-LLVKDONJSA-N -1 0 326.404 3.139 20 30 EGEDRM C=CCn1cc2ccc(NC(=O)c3coc(/C=C/C(=O)[O-])c3)cc2n1 ZINC001602730887 971410411 /nfs/dbraw/zinc/41/04/11/971410411.db2.gz IANQZNGUKQTIRK-AATRIKPKSA-N -1 0 337.335 3.165 20 30 EGEDRM O=C([O-])c1ccc(C(=O)Nc2cccc(C#Cc3ccccn3)c2)cc1 ZINC001595221930 949260392 /nfs/dbraw/zinc/26/03/92/949260392.db2.gz BBDFPNQNEMZYAL-UHFFFAOYSA-N -1 0 342.354 3.432 20 30 EGEDRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 ZINC001602852371 971689103 /nfs/dbraw/zinc/68/91/03/971689103.db2.gz AEBKDEQDGDQFCE-CYBMUJFWSA-N -1 0 343.408 3.367 20 30 EGEDRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccccc2SCC#N)C1 ZINC000320500194 950992245 /nfs/dbraw/zinc/99/22/45/950992245.db2.gz XWTUNHPLPYNDOZ-QGZVFWFLSA-N -1 0 332.425 3.019 20 30 EGEDRM C[C@@H]1CN(C(=O)c2c(Cl)cc(C#N)cc2Cl)CC[C@@H]1C(=O)[O-] ZINC001589381782 954282163 /nfs/dbraw/zinc/28/21/63/954282163.db2.gz CGOKCAYTIBRAIJ-SCZZXKLOSA-N -1 0 341.194 3.048 20 30 EGEDRM C[C@@H]1CN(C(=O)c2c(Cl)cc(C#N)cc2Cl)CC[C@H]1C(=O)[O-] ZINC001589381779 954282502 /nfs/dbraw/zinc/28/25/02/954282502.db2.gz CGOKCAYTIBRAIJ-PSASIEDQSA-N -1 0 341.194 3.048 20 30 EGEDRM C[C@H](CN(C)C(=O)Nc1cccc(C#Cc2ccccc2)c1)C(=O)[O-] ZINC001589028397 955507117 /nfs/dbraw/zinc/50/71/17/955507117.db2.gz HFHCQTUMGKYQQT-OAHLLOKOSA-N -1 0 336.391 3.271 20 30 EGEDRM N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)cc1 ZINC001594602529 956148692 /nfs/dbraw/zinc/14/86/92/956148692.db2.gz XOMXWLMSWLTXGP-JQHSSLGASA-N -1 0 349.390 3.327 20 30 EGEDRM N#Cc1cccc(Oc2ccnc(NC3CCC(C(=O)[O-])CC3)n2)c1 ZINC001594628809 956337525 /nfs/dbraw/zinc/33/75/25/956337525.db2.gz QHZISGQNUUZMQK-UHFFFAOYSA-N -1 0 338.367 3.196 20 30 EGEDRM C=CCn1c(SCc2occc2C(=O)[O-])nnc1-c1ccncc1 ZINC000013417536 957058035 /nfs/dbraw/zinc/05/80/35/957058035.db2.gz PVMWGIINLCPDNG-UHFFFAOYSA-N -1 0 342.380 3.110 20 30 EGEDRM Cc1cc(C#N)cc(NC(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)c1 ZINC001594273918 957698125 /nfs/dbraw/zinc/69/81/25/957698125.db2.gz HKRXFNOCAIIBKC-IRXDYDNUSA-N -1 0 335.363 3.301 20 30 EGEDRM COc1cc(C#N)cc(Cl)c1OC(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001594050129 957973847 /nfs/dbraw/zinc/97/38/47/957973847.db2.gz SLEGJYZHRSKRTP-HWKANZROSA-N -1 0 347.710 3.130 20 30 EGEDRM C#C[C@@H](CCC)NC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC001588386936 957982888 /nfs/dbraw/zinc/98/28/88/957982888.db2.gz DXMGDNMLBOLAHT-HNNXBMFYSA-N -1 0 328.412 3.076 20 30 EGEDRM C=CCOc1ccccc1CNC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC001343038734 958018531 /nfs/dbraw/zinc/01/85/31/958018531.db2.gz SFYIPKMSWQDEBH-INIZCTEOSA-N -1 0 346.427 3.180 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)c1cc2cc(C(F)(F)F)ccc2s1 ZINC001588416813 958166037 /nfs/dbraw/zinc/16/60/37/958166037.db2.gz UTIFMSMHORLPNR-UHFFFAOYSA-N -1 0 341.310 3.080 20 30 EGEDRM Cc1ccc(C#N)cc1NC(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001594342780 958308183 /nfs/dbraw/zinc/30/81/83/958308183.db2.gz VGZKFJUZFOOEFN-RDJZCZTQSA-N -1 0 335.363 3.301 20 30 EGEDRM C#Cc1ccccc1CC(=O)N1C[C@@H](CCC(=O)[O-])Cc2ccccc21 ZINC001588439828 958324296 /nfs/dbraw/zinc/32/42/96/958324296.db2.gz SZLWVTFHOASDHX-INIZCTEOSA-N -1 0 347.414 3.281 20 30 EGEDRM C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001588444607 958363761 /nfs/dbraw/zinc/36/37/61/958363761.db2.gz KJTFNELEESIONB-SDBXPKJASA-N -1 0 327.739 3.097 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)CCCCc1ccc(Cl)c(Cl)c1 ZINC001573319418 958471880 /nfs/dbraw/zinc/47/18/80/958471880.db2.gz XSYOOJSKPLOYPB-UHFFFAOYSA-N -1 0 342.222 3.253 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)c1ccc(Oc2ccccc2Cl)cc1 ZINC001573319324 958472247 /nfs/dbraw/zinc/47/22/47/958472247.db2.gz ANHWDTOFMNQMGR-UHFFFAOYSA-N -1 0 343.766 3.292 20 30 EGEDRM C=CCN(Cc1cccc(C#N)c1)C(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001588464487 958493276 /nfs/dbraw/zinc/49/32/76/958493276.db2.gz UYEVDIWCLZVZCN-SREVYHEPSA-N -1 0 336.347 3.077 20 30 EGEDRM C=CC(C)(C)CC(=O)Nc1scc(-c2cnn(C)c2)c1C(=O)[O-] ZINC001573329371 958508724 /nfs/dbraw/zinc/50/87/24/958508724.db2.gz FCBABSAKAPTTGB-UHFFFAOYSA-N -1 0 333.413 3.388 20 30 EGEDRM C[C@@](C#N)(CCc1ccccc1)NC(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001573364918 958617261 /nfs/dbraw/zinc/61/72/61/958617261.db2.gz RJMUELJRQFORDX-UCFODXPJSA-N -1 0 338.363 3.022 20 30 EGEDRM Cc1cc(C)c2c(c1)C(=O)/C(=C\c1ccc(OCC(=O)[O-])cc1)CO2 ZINC000141662782 958974784 /nfs/dbraw/zinc/97/47/84/958974784.db2.gz KVZNBYCKKGWTDE-DHDCSXOGSA-N -1 0 338.359 3.426 20 30 EGEDRM C[C@@H](C(=O)[O-])C(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2 ZINC001588585259 959302257 /nfs/dbraw/zinc/30/22/57/959302257.db2.gz KEVKREBRXTXNJL-SECBINFHSA-N -1 0 326.377 3.045 20 30 EGEDRM COc1cccc2c1CC/C(=C\c1ccc(OCC(=O)[O-])cc1)C2=O ZINC000194593949 959619855 /nfs/dbraw/zinc/61/98/55/959619855.db2.gz MXYMUMNEOBDPLE-SDNWHVSQSA-N -1 0 338.359 3.371 20 30 EGEDRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC001573712173 959856757 /nfs/dbraw/zinc/85/67/57/959856757.db2.gz RENXGZBWPKXHKX-OXQOHEQNSA-N -1 0 347.414 3.412 20 30 EGEDRM C[C@@H]1CCc2c(C#N)c(NC(=O)c3ccc(C(=O)[O-])cn3)sc2C1 ZINC001573737905 960461024 /nfs/dbraw/zinc/46/10/24/960461024.db2.gz CLLZXQBDIQBUIG-SECBINFHSA-N -1 0 341.392 3.090 20 30 EGEDRM N#Cc1cnc(Nc2cccc(CC(=O)[O-])c2)c(Br)c1 ZINC001210068446 960606256 /nfs/dbraw/zinc/60/62/56/960606256.db2.gz ZXGQGCSEBRXLPQ-UHFFFAOYSA-N -1 0 332.157 3.086 20 30 EGEDRM Cc1cc(C(=O)[O-])cc(C(=O)N[C@@](C)(C#N)CCc2ccccc2)c1 ZINC001574315672 960784457 /nfs/dbraw/zinc/78/44/57/960784457.db2.gz RWTSVRXEWSIFFX-HXUWFJFHSA-N -1 0 336.391 3.338 20 30 EGEDRM Cc1ccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])cc1OCCC(C)C ZINC001574374493 961081775 /nfs/dbraw/zinc/08/17/75/961081775.db2.gz WYCFFEDCFFMWOG-GOSISDBHSA-N -1 0 332.400 3.363 20 30 EGEDRM N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001574488640 961697089 /nfs/dbraw/zinc/69/70/89/961697089.db2.gz DDAYRJBFWAGQIB-GOSISDBHSA-N -1 0 349.390 3.384 20 30 EGEDRM CC(C)[C@@H]1C[C@@H](CNC(=O)[C@@](C)(C#N)CC(=O)[O-])c2ccccc21 ZINC001588953741 962579040 /nfs/dbraw/zinc/57/90/40/962579040.db2.gz AKCPXBXSBVFGEO-IYJAJMOOSA-N -1 0 328.412 3.034 20 30 EGEDRM C#Cc1ccc(CNC(=O)c2ccc(NC(=O)[O-])cc2Cl)cc1 ZINC001573311696 962709349 /nfs/dbraw/zinc/70/93/49/962709349.db2.gz FEBFBOMKSDCHBH-UHFFFAOYSA-N -1 0 328.755 3.341 20 30 EGEDRM C#Cc1cncc(C(=O)O[C@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)c1 ZINC001573314144 962742422 /nfs/dbraw/zinc/74/24/22/962742422.db2.gz YVZOOAOQGRKIQU-CQSZACIVSA-N -1 0 349.264 3.222 20 30 EGEDRM C=C(CNC(=O)N1CCc2cc(C(=O)[O-])ccc2C1)c1ccccc1 ZINC001573339078 962884817 /nfs/dbraw/zinc/88/48/17/962884817.db2.gz NWCAURYJHZYSHD-UHFFFAOYSA-N -1 0 336.391 3.166 20 30 EGEDRM C=CC(C)(C)NC(=O)Nc1cc(C(=O)[O-])c(F)cc1Br ZINC001573347078 962945751 /nfs/dbraw/zinc/94/57/51/962945751.db2.gz IRKVZRZRWCOGCZ-UHFFFAOYSA-N -1 0 345.168 3.373 20 30 EGEDRM C=CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001573353375 963000421 /nfs/dbraw/zinc/00/04/21/963000421.db2.gz UDNYBBJXBAVZMD-CJNGLKHVSA-N -1 0 337.441 3.106 20 30 EGEDRM C=CCC[C@@H](NC(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21)c1ccccc1 ZINC001573357560 963017593 /nfs/dbraw/zinc/01/75/93/963017593.db2.gz OTFRXUIKLNLCIF-ILOCAZANSA-N -1 0 342.439 3.492 20 30 EGEDRM C=CCN(CCc1ccco1)C(=O)NCc1ccc(NC(=O)[O-])cc1 ZINC001573368147 963074949 /nfs/dbraw/zinc/07/49/49/963074949.db2.gz IZJLYVMUDCAIJM-UHFFFAOYSA-N -1 0 343.383 3.310 20 30 EGEDRM C=CCCCNC(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000311558472 963489386 /nfs/dbraw/zinc/48/93/86/963489386.db2.gz NREMIVARMZLHAO-UHFFFAOYSA-N -1 0 327.178 3.235 20 30 EGEDRM C#CCCCCCCSc1nc2nc(C)cc(C(=O)[O-])c2c(=O)[nH]1 ZINC001588442318 964056255 /nfs/dbraw/zinc/05/62/55/964056255.db2.gz RBODKEMKMOGKJI-UHFFFAOYSA-N -1 0 345.424 3.413 20 30 EGEDRM Cc1cccc([C@@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)C(=O)[O-])c1 ZINC001594393285 970218360 /nfs/dbraw/zinc/21/83/60/970218360.db2.gz MMBPMFJIXBSWQD-QGZVFWFLSA-N -1 0 334.375 3.106 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCc2ccc(-c3ccccc3)cc21 ZINC001609693088 970453679 /nfs/dbraw/zinc/45/36/79/970453679.db2.gz ULPRMHJFKCQQLO-NQIIRXRSSA-N -1 0 348.402 3.462 20 30 EGEDRM Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)[C@](C)(C#N)CC(=O)[O-] ZINC001605397292 973373638 /nfs/dbraw/zinc/37/36/38/973373638.db2.gz DTVJMBHJXPFAFV-ZBEGNZNMSA-N -1 0 337.445 3.099 20 30 EGEDRM N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CC[C@H]2C(=O)[O-])cc1 ZINC001605575717 973838928 /nfs/dbraw/zinc/83/89/28/973838928.db2.gz CVSLWXAFCZWNRL-KSZLIROESA-N -1 0 334.375 3.391 20 30 EGEDRM N#CCCCn1cc(C(=O)N2CCCC[C@@H]2C(=O)[O-])c2ccccc21 ZINC001605582028 973864299 /nfs/dbraw/zinc/86/42/99/973864299.db2.gz RVARCPJAFLYQTO-QGZVFWFLSA-N -1 0 339.395 3.024 20 30 EGEDRM N#CCc1cccc(NC(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC001605601529 973904511 /nfs/dbraw/zinc/90/45/11/973904511.db2.gz QOIMGBNVPORTAY-IAGOWNOFSA-N -1 0 335.363 3.187 20 30 EGEDRM N#Cc1ccc(C2(C(=O)Nc3cc(C(=O)[O-])ccn3)CCCC2)cc1 ZINC001605602198 973911560 /nfs/dbraw/zinc/91/15/60/973911560.db2.gz SWEHLKRUDJVTCR-UHFFFAOYSA-N -1 0 335.363 3.102 20 30 EGEDRM CC(C)Oc1ccc(NC(=O)N[C@](C)(CC(=O)[O-])C2CC2)cc1C#N ZINC001591786544 975956474 /nfs/dbraw/zinc/95/64/74/975956474.db2.gz GZNIAQGMVCZALD-GOSISDBHSA-N -1 0 345.399 3.110 20 30 EGEDRM CC(C)c1sc(NC(=O)[C@@]2(C#N)CC23CCCC3)nc1C(=O)[O-] ZINC001592108923 976898424 /nfs/dbraw/zinc/89/84/24/976898424.db2.gz ZJOZGLZVPHNSGZ-INIZCTEOSA-N -1 0 333.413 3.377 20 30 EGEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001592226003 977415187 /nfs/dbraw/zinc/41/51/87/977415187.db2.gz SBGBHWDWPBKXKM-UPJWGTAASA-N -1 0 347.440 3.408 20 30 EGEDRM C[C@@](CC(=O)[O-])(NCC1(C#N)CC1)c1ccc(Br)cc1 ZINC001592318661 977705466 /nfs/dbraw/zinc/70/54/66/977705466.db2.gz CLEATKXORUAITL-AWEZNQCLSA-N -1 0 337.217 3.032 20 30 EGEDRM C[C@H](Cc1ccc(N[C@@H](C)CC2(C#N)CCOCC2)cc1)C(=O)[O-] ZINC001592459494 978178526 /nfs/dbraw/zinc/17/85/26/978178526.db2.gz MIMUDEAYJJQOLE-CABCVRRESA-N -1 0 330.428 3.461 20 30 EGEDRM Cc1cc(CN=Nc2ccc(C(=O)[O-])cn2)c(C)n1Cc1ccco1 ZINC000763367942 978720585 /nfs/dbraw/zinc/72/05/85/978720585.db2.gz HVKXGFTUXREXQX-UHFFFAOYSA-N -1 0 338.367 3.285 20 30 EGEDRM C#CCOc1cccc(Cl)c1C=NNc1cccc(C(=O)[O-])c1 ZINC000777418048 978781380 /nfs/dbraw/zinc/78/13/80/978781380.db2.gz GTQUWTJJRBSECV-UHFFFAOYSA-N -1 0 328.755 3.496 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1N=NC(C)c1cnn(C(C)C)c1C ZINC000787162479 978795985 /nfs/dbraw/zinc/79/59/85/978795985.db2.gz LBPSERQYTKJLHH-UHFFFAOYSA-N -1 0 330.388 3.315 20 30 EGEDRM COc1ccc2c(c1OC)O/C(=C/c1ccc(C(=O)[O-])cc1)C2=O ZINC000799498319 978841394 /nfs/dbraw/zinc/84/13/94/978841394.db2.gz HDVUIHAZDIBBOM-NTEUORMPSA-N -1 0 326.304 3.018 20 30 EGEDRM CC(C)COc1ccc(N[C@H](C(=O)[O-])c2cccc(C#N)c2)cn1 ZINC000826905451 978950895 /nfs/dbraw/zinc/95/08/95/978950895.db2.gz LHYXWTCWDGWOKQ-KRWDZBQOSA-N -1 0 325.368 3.226 20 30 EGEDRM COc1cccc(F)c1[C@@H](C)N[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832557923 979046928 /nfs/dbraw/zinc/04/69/28/979046928.db2.gz CQUBGIYIJKOXCZ-PIGZYNQJSA-N -1 0 328.343 3.182 20 30 EGEDRM C=CCc1ccc(OC(=O)Cc2cccc(C(=O)[O-])c2)c(OC)c1 ZINC000833379964 979176371 /nfs/dbraw/zinc/17/63/71/979176371.db2.gz RNVQHQXYVMJGOJ-UHFFFAOYSA-N -1 0 326.348 3.270 20 30 EGEDRM C#CC[C@H]1CCCN(C(=O)c2ccccc2S[C@@H](C)C(=O)[O-])C1 ZINC000851615900 979537929 /nfs/dbraw/zinc/53/79/29/979537929.db2.gz KRBYETLHHMPBOH-KBPBESRZSA-N -1 0 331.437 3.127 20 30 EGEDRM C=C(C)C[C@H](NC(=O)[C@H](C)Sc1ccc(Cl)cc1)C(=O)[O-] ZINC000864188607 979837298 /nfs/dbraw/zinc/83/72/98/979837298.db2.gz UGIONMDSLVWWQM-GWCFXTLKSA-N -1 0 327.833 3.356 20 30 EGEDRM C=CCC[C@H](NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)c1ccccc1 ZINC000872740512 980134412 /nfs/dbraw/zinc/13/44/12/980134412.db2.gz XMDGDDGEQGOSOS-BBWFWOEESA-N -1 0 331.412 3.080 20 30 EGEDRM CC[C@H](c1ccc(Br)cc1)N(CC#N)CCC(=O)[O-] ZINC001595359005 980737635 /nfs/dbraw/zinc/73/76/35/980737635.db2.gz NNNQYHHINMEHAZ-CYBMUJFWSA-N -1 0 325.206 3.200 20 30 EGEDRM CCC[C@@H](C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccccn1 ZINC001595539204 981397761 /nfs/dbraw/zinc/39/77/61/981397761.db2.gz ZZBMFNUXLCYFMH-WBVHZDCISA-N -1 0 338.363 3.206 20 30 EGEDRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC001594792088 981857482 /nfs/dbraw/zinc/85/74/82/981857482.db2.gz LJMIZRWXROVKEG-SQGPQFPESA-N -1 0 340.423 3.154 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1[nH]c(C)c(C(C)=O)c1CCC)C(=O)[O-] ZINC000910914072 982161709 /nfs/dbraw/zinc/16/17/09/982161709.db2.gz HAGXKEPZWGJLEX-AWEZNQCLSA-N -1 0 334.416 3.018 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1ccc([C@@H]2CCCOC2)cc1)C(=O)[O-] ZINC000910923870 982166143 /nfs/dbraw/zinc/16/61/43/982166143.db2.gz WLXOAEFOHKUOMG-IAGOWNOFSA-N -1 0 331.412 3.120 20 30 EGEDRM CCCCCCCCNC(=O)NC(C)(C)c1cc(C(=O)[O-])on1 ZINC001595704719 982279121 /nfs/dbraw/zinc/27/91/21/982279121.db2.gz XCTOIMONOZXUKP-UHFFFAOYSA-N -1 0 325.409 3.268 20 30 EGEDRM CC(C)(C#N)C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000917659628 982681137 /nfs/dbraw/zinc/68/11/37/982681137.db2.gz HVEPTEYAEOGSGM-UHFFFAOYSA-N -1 0 332.359 3.273 20 30 EGEDRM C=CCO[C@H]1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2Cl)C1 ZINC001118253061 982948457 /nfs/dbraw/zinc/94/84/57/982948457.db2.gz GONNFYSMMILZHG-HZMBPMFUSA-N -1 0 330.211 3.396 20 30 EGEDRM C#Cc1ccc(NC(=O)NC[C@@H](C(=O)[O-])c2ccccc2)c(Cl)c1 ZINC001573463850 983042660 /nfs/dbraw/zinc/04/26/60/983042660.db2.gz IGYRZWPWAGFQLY-CQSZACIVSA-N -1 0 342.782 3.311 20 30 EGEDRM C#C[C@H](NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1F ZINC001588373085 983336720 /nfs/dbraw/zinc/33/67/20/983336720.db2.gz ZREHKPKPEUSMQN-ZETOZRRWSA-N -1 0 337.778 3.161 20 30 EGEDRM C#C[C@@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(Cl)cc1F ZINC001588378502 983363153 /nfs/dbraw/zinc/36/31/53/983363153.db2.gz YZZNUKFZSNCREC-SJORKVTESA-N -1 0 342.757 3.441 20 30 EGEDRM C#CC[C@@H](NC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1)c1ccccc1 ZINC001588407566 983428650 /nfs/dbraw/zinc/42/86/50/983428650.db2.gz KDPBPKGPCCVFJY-RTBURBONSA-N -1 0 348.402 3.145 20 30 EGEDRM C#CC[C@H](NC(=O)c1csc(-c2ccc(Cl)cc2)c1)C(=O)[O-] ZINC001588422273 983445411 /nfs/dbraw/zinc/44/54/11/983445411.db2.gz VLKJFWMBQJDSLW-ZDUSSCGKSA-N -1 0 333.796 3.275 20 30 EGEDRM CCN(C(=O)C[C@@H](CC#N)c1ccccc1)c1ncc(C(=O)[O-])s1 ZINC001596134142 983483162 /nfs/dbraw/zinc/48/31/62/983483162.db2.gz UQODMILCXTXDOU-CYBMUJFWSA-N -1 0 343.408 3.282 20 30 EGEDRM C#CCN(Cc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC001588469765 983503498 /nfs/dbraw/zinc/50/34/98/983503498.db2.gz QHYGMWCVXAFZED-UHFFFAOYSA-N -1 0 326.327 3.191 20 30 EGEDRM C#CCOc1cc(F)ccc1NC(=O)c1ccccc1CCC(=O)[O-] ZINC001588498783 983544117 /nfs/dbraw/zinc/54/41/17/983544117.db2.gz GKIKHMINADENTD-UHFFFAOYSA-N -1 0 341.338 3.107 20 30 EGEDRM C#CCOc1ccccc1NC(=O)Nc1ccc(C(=O)[O-])cc1OC ZINC001588505135 983549816 /nfs/dbraw/zinc/54/98/16/983549816.db2.gz UTPRBOAFKQRRIQ-UHFFFAOYSA-N -1 0 340.335 3.049 20 30 EGEDRM C#Cc1ccc(C(=O)N[C@H](CC(=O)[O-])c2cccc3ccccc32)cn1 ZINC001588516642 983561543 /nfs/dbraw/zinc/56/15/43/983561543.db2.gz USMTWZYANDSWPB-LJQANCHMSA-N -1 0 344.370 3.162 20 30 EGEDRM C#Cc1ccc(CNC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC001588517214 983563987 /nfs/dbraw/zinc/56/39/87/983563987.db2.gz OWFXIFBPCXZEJW-UHFFFAOYSA-N -1 0 328.755 3.341 20 30 EGEDRM C=C(C)C(C)(C)C(=O)N1CCC(Cc2ncc(C(=O)[O-])s2)CC1 ZINC001588530392 983584312 /nfs/dbraw/zinc/58/43/12/983584312.db2.gz ZYGWQFNAZYTLFD-UHFFFAOYSA-N -1 0 336.457 3.225 20 30 EGEDRM C=C(C)Cn1c(CC(C)C)nnc1N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC001588597938 983680991 /nfs/dbraw/zinc/68/09/91/983680991.db2.gz OEWYZDJOZMDQRX-UHFFFAOYSA-N -1 0 346.431 3.289 20 30 EGEDRM C=C(CC(C)C)C(=O)N1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)[O-])C1 ZINC001588606263 983696752 /nfs/dbraw/zinc/69/67/52/983696752.db2.gz UFOYCKAVBLMCRC-LSDHHAIUSA-N -1 0 337.366 3.194 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N[C@H]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC001588623093 983726526 /nfs/dbraw/zinc/72/65/26/983726526.db2.gz JOLDPGHCKDALPA-LBPRGKRZSA-N -1 0 346.814 3.216 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)NCCc1c[nH]c2cc(F)c(Cl)cc12 ZINC001588624642 983733959 /nfs/dbraw/zinc/73/39/59/983733959.db2.gz QRKSNBMEMMTIML-UHFFFAOYSA-N -1 0 338.766 3.040 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1cc2ccccc2cc1C(=O)OCC ZINC001588629228 983735960 /nfs/dbraw/zinc/73/59/60/983735960.db2.gz CAOROUNVQFOCQS-UHFFFAOYSA-N -1 0 341.363 3.376 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1cnn(-c2ccccc2C)c1C(F)F ZINC001588634016 983751731 /nfs/dbraw/zinc/75/17/31/983751731.db2.gz PGZOGCUOWQFBGU-UHFFFAOYSA-N -1 0 349.337 3.478 20 30 EGEDRM C=C1CCC(CNC(=O)Nc2cc(COC)cc(C(=O)[O-])c2)CC1 ZINC001588649888 983770914 /nfs/dbraw/zinc/77/09/14/983770914.db2.gz KGARQIRBZDQEAY-UHFFFAOYSA-N -1 0 332.400 3.399 20 30 EGEDRM C=C1CN(C(=O)Nc2c(OCc3ccccc3)cccc2C(=O)[O-])C1 ZINC001588650497 983772310 /nfs/dbraw/zinc/77/23/10/983772310.db2.gz FZFKXVRWWXQGQR-UHFFFAOYSA-N -1 0 338.363 3.368 20 30 EGEDRM C=C[C@@H](Sc1nc2sc(C)c(C)c2c(=O)n1C(C)C)C(=O)[O-] ZINC001588714258 983950793 /nfs/dbraw/zinc/95/07/93/983950793.db2.gz DJSFAQTVOIFUCV-SNVBAGLBSA-N -1 0 338.454 3.387 20 30 EGEDRM C=CC1CCN(C(=O)Nc2ccc(O[C@@H](C)C(=O)[O-])c(F)c2)CC1 ZINC001588719933 983963966 /nfs/dbraw/zinc/96/39/66/983963966.db2.gz HFUDGTYJDOAURD-NSHDSACASA-N -1 0 336.363 3.108 20 30 EGEDRM C=CCC(C)(C)Cn1c(C2CCCC2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001588736418 984024662 /nfs/dbraw/zinc/02/46/62/984024662.db2.gz JBRSYBBVIQSSKU-OAHLLOKOSA-N -1 0 346.475 3.449 20 30 EGEDRM C=CC[C@H](Cc1ccccc1)NC(=O)NCc1ccc(C(=O)[O-])s1 ZINC001588743882 984039818 /nfs/dbraw/zinc/03/98/18/984039818.db2.gz FBMNQNZXKAUSII-CQSZACIVSA-N -1 0 344.436 3.433 20 30 EGEDRM C=CC[C@H](Cc1ccccc1)NC(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC001588743869 984040127 /nfs/dbraw/zinc/04/01/27/984040127.db2.gz DSYMEQUTQYLQLI-OAHLLOKOSA-N -1 0 326.396 3.247 20 30 EGEDRM C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC001588744479 984042608 /nfs/dbraw/zinc/04/26/08/984042608.db2.gz MMGUEHMRXZUNCW-YESZJQIVSA-N -1 0 330.428 3.116 20 30 EGEDRM C=CC[C@@H](Sc1nc(=O)c2c3c(sc2[nH]1)CCCC3)C(=O)[O-] ZINC001588759164 984110330 /nfs/dbraw/zinc/11/03/30/984110330.db2.gz QMDKNIZLPHKSPA-SNVBAGLBSA-N -1 0 336.438 3.397 20 30 EGEDRM C=CCC1(NC(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)CCOCC1 ZINC001588767005 984127692 /nfs/dbraw/zinc/12/76/92/984127692.db2.gz CZXLCJALGOJTMQ-UHFFFAOYSA-N -1 0 343.383 3.113 20 30 EGEDRM C=CCC1(CNC(=O)[C@]2(C(=O)[O-])C[C@H]2c2ccccc2)CCCC1 ZINC001588767269 984129416 /nfs/dbraw/zinc/12/94/16/984129416.db2.gz RKVONNZMFSPLSO-JXFKEZNVSA-N -1 0 327.424 3.498 20 30 EGEDRM C=CC[C@H]1CCCC[C@H]1NC(=O)NC(C)(C)c1cc(C(=O)[O-])on1 ZINC001588770890 984136891 /nfs/dbraw/zinc/13/68/91/984136891.db2.gz KJIFHNJXAOZBQO-NWDGAFQWSA-N -1 0 335.404 3.042 20 30 EGEDRM C=CC[C@H]1CCN(C(=O)NCc2ccc(OCCCC(=O)[O-])cc2)C1 ZINC001588772301 984142415 /nfs/dbraw/zinc/14/24/15/984142415.db2.gz CONNADFWPNFESR-INIZCTEOSA-N -1 0 346.427 3.038 20 30 EGEDRM C=CCCC(C)(C)CNS(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC001588777477 984156451 /nfs/dbraw/zinc/15/64/51/984156451.db2.gz AFNFJIPLYKPANO-UHFFFAOYSA-N -1 0 343.420 3.103 20 30 EGEDRM C=CCC[C@@H](NC(=O)N1CCC(C#N)(C(=O)[O-])CC1)c1ccccc1 ZINC001588778727 984162513 /nfs/dbraw/zinc/16/25/13/984162513.db2.gz KDUKVRULTAHDTP-MRXNPFEDSA-N -1 0 341.411 3.094 20 30 EGEDRM C=CCC[C@@H](NS(=O)(=O)c1cc(C)c(C(=O)[O-])o1)c1ccccc1 ZINC001588779261 984165352 /nfs/dbraw/zinc/16/53/52/984165352.db2.gz VCXFFOCBFXHWRV-CQSZACIVSA-N -1 0 349.408 3.272 20 30 EGEDRM C=CCCC[C@H](C(=O)NCc1ocnc1C(=O)[O-])c1ccccc1 ZINC001588782554 984172941 /nfs/dbraw/zinc/17/29/41/984172941.db2.gz IULWPDFRPWLFKN-AWEZNQCLSA-N -1 0 328.368 3.129 20 30 EGEDRM C=CCC[C@@H]1CCCN1C(=O)Nc1cc(COC)cc(C(=O)[O-])c1 ZINC001588782752 984174656 /nfs/dbraw/zinc/17/46/56/984174656.db2.gz ZTWUUOJTOKDLDI-MRXNPFEDSA-N -1 0 332.400 3.494 20 30 EGEDRM C=CCCC[C@@H](NC(=O)C[C@H](c1cccs1)n1cccc1)C(=O)[O-] ZINC001588789283 984197728 /nfs/dbraw/zinc/19/77/28/984197728.db2.gz ALJORAJLAHGQPZ-HUUCEWRRSA-N -1 0 346.452 3.455 20 30 EGEDRM C=CCCC[C@@H](NC(=O)/C=C\c1nc2ccccc2s1)C(=O)[O-] ZINC001588789924 984202130 /nfs/dbraw/zinc/20/21/30/984202130.db2.gz NCJKSGSAVGKJIM-BSYHEUMXSA-N -1 0 330.409 3.235 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1ccc(C)c(Br)c1)C(=O)[O-] ZINC001588792427 984209516 /nfs/dbraw/zinc/20/95/16/984209516.db2.gz HBWVGDHFNVGBET-CYBMUJFWSA-N -1 0 340.217 3.297 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1c[nH]nc1-c1ccc(Cl)cc1)C(=O)[O-] ZINC001588793105 984215622 /nfs/dbraw/zinc/21/56/22/984215622.db2.gz SLFDCJUGJAMPSR-AWEZNQCLSA-N -1 0 347.802 3.269 20 30 EGEDRM C=CCCC[C@H](NS(=O)(=O)/C=C\c1ccc(Cl)cc1)C(=O)[O-] ZINC001588797486 984230152 /nfs/dbraw/zinc/23/01/52/984230152.db2.gz GFGHLNCHRCEXPQ-BMSUMIBZSA-N -1 0 343.832 3.040 20 30 EGEDRM C=CCOc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(F)c(C)c2)cc1 ZINC001588869470 984438945 /nfs/dbraw/zinc/43/89/45/984438945.db2.gz CSOGPVVKOFQGJS-QGZVFWFLSA-N -1 0 343.354 3.255 20 30 EGEDRM C=CCn1c(SCC(C)(C)C(=O)[O-])nnc1-c1ccc(OC)cc1 ZINC001588907608 984540100 /nfs/dbraw/zinc/54/01/00/984540100.db2.gz PWPJMHDLUCXAIT-UHFFFAOYSA-N -1 0 347.440 3.343 20 30 EGEDRM C=CCn1c(Sc2ncc(C(=O)[O-])cc2Cl)nnc1C1CC1 ZINC001588910447 984549752 /nfs/dbraw/zinc/54/97/52/984549752.db2.gz YPTBTVZEFLWMKM-UHFFFAOYSA-N -1 0 336.804 3.239 20 30 EGEDRM Cc1c(C#N)cccc1C(=O)O[C@H](Cc1ccc(Cl)cc1)C(=O)[O-] ZINC001599973464 986048272 /nfs/dbraw/zinc/04/82/72/986048272.db2.gz UTQKSQCKUFSDBE-MRXNPFEDSA-N -1 0 343.766 3.373 20 30 EGEDRM CC(C)(C#N)CC(=O)O[C@@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC001589554252 987299747 /nfs/dbraw/zinc/29/97/47/987299747.db2.gz ZSQCVBXPMSUJHL-GFCCVEGCSA-N -1 0 329.274 3.314 20 30 EGEDRM CC(C)(C#N)c1ccc(C(=O)NC[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC001589557504 987306393 /nfs/dbraw/zinc/30/63/93/987306393.db2.gz DQJGYMMYIKKHEM-KRWDZBQOSA-N -1 0 336.391 3.086 20 30 EGEDRM CC(C)(C(=O)[O-])C(=O)CSc1ccc(C#N)c(C(F)(F)F)c1 ZINC001589588761 987387386 /nfs/dbraw/zinc/38/73/86/987387386.db2.gz IDVHXKMMSKVFDC-UHFFFAOYSA-N -1 0 331.315 3.349 20 30 EGEDRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)CCCCOc1cccc(C#N)c1 ZINC001589701375 987796661 /nfs/dbraw/zinc/79/66/61/987796661.db2.gz YUWVMSRAQDGLID-MRXNPFEDSA-N -1 0 346.427 3.113 20 30 EGEDRM CCc1ccc(C#CC(=O)N[C@@H](CC(=O)[O-])c2cccc(C)c2)cc1 ZINC001597495431 988042815 /nfs/dbraw/zinc/04/28/15/988042815.db2.gz VYVJRSNPHWLTOZ-IBGZPJMESA-N -1 0 335.403 3.241 20 30 EGEDRM CC(C)(C)OC1CC(CC(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC001590374755 989873013 /nfs/dbraw/zinc/87/30/13/989873013.db2.gz UMJRWRRAQABUFS-PUJMQQBBSA-N -1 0 345.395 3.211 20 30 EGEDRM CC(C)(C)c1cc(NC(=O)CCc2ocnc2C(=O)[O-])c(C#N)s1 ZINC001590463119 990036897 /nfs/dbraw/zinc/03/68/97/990036897.db2.gz FXDPYAGPNVBKGJ-UHFFFAOYSA-N -1 0 347.396 3.175 20 30 EGEDRM CC(C)(C)n1cc(CSCc2cccc(C(=O)[O-])c2C#N)nn1 ZINC001590593759 990249647 /nfs/dbraw/zinc/24/96/47/990249647.db2.gz QWPXLDFYMHKFGR-UHFFFAOYSA-N -1 0 330.413 3.036 20 30 EGEDRM CC(C)(CC#N)CNC(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001590615328 990289089 /nfs/dbraw/zinc/28/90/89/990289089.db2.gz SBHMUMQPOKXSPM-UHFFFAOYSA-N -1 0 327.743 3.239 20 30 EGEDRM CN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001598509309 992549391 /nfs/dbraw/zinc/54/93/91/992549391.db2.gz POFRZRMMHXVXAJ-UHFFFAOYSA-N -1 0 345.305 3.199 20 30 EGEDRM COc1ccc(NC(=O)c2ccc(Cl)c(C#N)c2)c(C(=O)[O-])c1 ZINC001599596403 993753355 /nfs/dbraw/zinc/75/33/55/993753355.db2.gz XWRDKQKOSBMBDB-UHFFFAOYSA-N -1 0 330.727 3.171 20 30 EGEDRM CN1CCN(Cc2cccc(C(=O)[O-])c2C#N)c2ccc(Cl)cc21 ZINC001598620063 993988447 /nfs/dbraw/zinc/98/84/47/993988447.db2.gz XEMWSWHKZSMQTE-UHFFFAOYSA-N -1 0 341.798 3.366 20 30 EGEDRM COc1ccc2c(c1)C(C)(C)/C(=C/c1cc(C(=O)[O-])n(C)c1)C2=O ZINC001599625569 994143213 /nfs/dbraw/zinc/14/32/13/994143213.db2.gz RPNWTUUASZEBBX-VIZOYTHASA-N -1 0 325.364 3.289 20 30 EGEDRM COc1cccc(C#CCOC(=O)C23CCC(C(=O)[O-])(CC2)CC3)c1 ZINC001599640075 994345337 /nfs/dbraw/zinc/34/53/37/994345337.db2.gz FGKFOVOXCREDGH-UHFFFAOYSA-N -1 0 342.391 3.015 20 30 EGEDRM COc1cccc(C(=O)/C(=C\c2cc(C(=O)[O-])co2)c2ncc[nH]2)c1 ZINC001599641441 994365302 /nfs/dbraw/zinc/36/53/02/994365302.db2.gz VSLWGAQMFNUFSN-OQLLNIDSSA-N -1 0 338.319 3.133 20 30 EGEDRM C[C@@H](Nc1ccc([N+](=O)[O-])cc1C#N)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593366553 995050949 /nfs/dbraw/zinc/05/09/49/995050949.db2.gz ZEDYMJRSEOXQMU-MLGOLLRUSA-N -1 0 339.351 3.210 20 30 EGEDRM C[C@H](OCCCNc1ccc(C(=O)[O-])nc1C#N)c1ccccc1 ZINC001593608006 995791504 /nfs/dbraw/zinc/79/15/04/995791504.db2.gz BBUPKTREULOPNA-ZDUSSCGKSA-N -1 0 325.368 3.231 20 30 EGEDRM C[C@@H](OCCCNc1ccc(C(=O)[O-])nc1C#N)c1ccccc1 ZINC001593608005 995791750 /nfs/dbraw/zinc/79/17/50/995791750.db2.gz BBUPKTREULOPNA-CYBMUJFWSA-N -1 0 325.368 3.231 20 30 EGEDRM C[C@H](Sc1ccccc1C(=O)NCc1cccc(C#N)c1)C(=O)[O-] ZINC001593672559 996077212 /nfs/dbraw/zinc/07/72/12/996077212.db2.gz FIEYTOOFEUXZOR-LBPRGKRZSA-N -1 0 340.404 3.053 20 30 EGEDRM COC(=O)Nc1ccccc1OCc1cccc(C(=O)[O-])c1C#N ZINC001598887650 996928858 /nfs/dbraw/zinc/92/88/58/996928858.db2.gz BIZRUJMVCQBNMB-UHFFFAOYSA-N -1 0 326.308 3.014 20 30 EGEDRM COCc1cc(NC(=O)[C@H](CC#N)c2ccccc2)cc(C(=O)[O-])c1 ZINC001599283659 996936501 /nfs/dbraw/zinc/93/65/01/996936501.db2.gz DROWYLPCABUMPU-QGZVFWFLSA-N -1 0 338.363 3.167 20 30 EGEDRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)c1cc(C#N)ccc1C ZINC001599396460 997134922 /nfs/dbraw/zinc/13/49/22/997134922.db2.gz OININCZSOXCOFD-SOFGYWHQSA-N -1 0 337.331 3.192 20 30 EGEDRM CON=Cc1ccc(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC001599320500 997572594 /nfs/dbraw/zinc/57/25/94/997572594.db2.gz IMMNLMLCUVOHEZ-UHFFFAOYSA-N -1 0 332.743 3.271 20 30 EGEDRM COC(=O)c1cc(Cl)cc(NCc2cccc(C(=O)[O-])c2C#N)c1 ZINC001598936303 997872209 /nfs/dbraw/zinc/87/22/09/997872209.db2.gz ZVFOIDNPTPEIHE-UHFFFAOYSA-N -1 0 344.754 3.309 20 30 EGEDRM COc1cc(OC)c2ncc(C#N)c(SCCCC(=O)[O-])c2c1 ZINC001599449564 998068756 /nfs/dbraw/zinc/06/87/56/998068756.db2.gz HUNAZMTXRMRROF-UHFFFAOYSA-N -1 0 332.381 3.081 20 30 EGEDRM C[C@@H]1CC[C@@](NC(=O)c2cc(C#N)cs2)(C(=O)[O-])c2ccccc21 ZINC001594315142 999219972 /nfs/dbraw/zinc/21/99/72/999219972.db2.gz UEXGWGPNWIGOCV-ZMZPIMSZSA-N -1 0 340.404 3.227 20 30 EGEDRM C=C(C)COc1cccc(NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)c1 ZINC000277057263 201300975 /nfs/dbraw/zinc/30/09/75/201300975.db2.gz QUAOZGNQNGGVOF-UHFFFAOYSA-N -1 0 344.333 3.037 20 30 EGEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccccc1C(C)C ZINC000184768033 144099035 /nfs/dbraw/zinc/09/90/35/144099035.db2.gz NCPSTOFBENUVSS-UHFFFAOYSA-N -1 0 330.409 3.491 20 30 EGEDRM COc1ccc(F)cc1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000187041092 144150526 /nfs/dbraw/zinc/15/05/26/144150526.db2.gz QHJCQBOUCUXNLU-UHFFFAOYSA-N -1 0 340.763 3.160 20 30 EGEDRM Cc1oc2ccc([N-]S(=O)(=O)c3ccc(C#N)nc3)cc2c1C ZINC000187056575 144151018 /nfs/dbraw/zinc/15/10/18/144151018.db2.gz XWTOSBUUNOFWLJ-UHFFFAOYSA-N -1 0 327.365 3.117 20 30 EGEDRM N#Cc1ccc(Br)cc1[N-]S(=O)(=O)c1ccsc1 ZINC000351309913 144262025 /nfs/dbraw/zinc/26/20/25/144262025.db2.gz YLINMCFMVOQEAY-UHFFFAOYSA-N -1 0 343.227 3.183 20 30 EGEDRM CC(C)c1ccccc1S(=O)(=O)[N-]c1nn(C(C)(C)C)cc1C#N ZINC000189029944 153047277 /nfs/dbraw/zinc/04/72/77/153047277.db2.gz YSYGNCVEBXSGHF-UHFFFAOYSA-N -1 0 346.456 3.434 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2O)s1 ZINC000318678286 154159787 /nfs/dbraw/zinc/15/97/87/154159787.db2.gz KWIFODHHSQROLM-UHFFFAOYSA-N -1 0 348.327 3.145 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)c2c(F)cc(F)cc2F)c(Cl)c1 ZINC000317811296 154160263 /nfs/dbraw/zinc/16/02/63/154160263.db2.gz NCIHMZBIBTVAQD-UHFFFAOYSA-N -1 0 346.717 3.430 20 30 EGEDRM Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)cn1 ZINC000337147517 163144008 /nfs/dbraw/zinc/14/40/08/163144008.db2.gz ZDBGBKMUAYRLML-UHFFFAOYSA-N -1 0 341.314 3.081 20 30 EGEDRM COc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C#N)cc1Cl ZINC000343810853 164040168 /nfs/dbraw/zinc/04/01/68/164040168.db2.gz GZCMCHIBDGMKQD-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM COc1ccc(C(=O)CSc2ccc(C#N)cc2)c2occ([O-])c21 ZINC000351679119 165129197 /nfs/dbraw/zinc/12/91/97/165129197.db2.gz UXFXENDMOOOIJG-UHFFFAOYSA-N -1 0 339.372 3.117 20 30 EGEDRM CCC[C@]1(C)CCCN(C(=O)c2cc(C#N)c(SC)[n-]c2=O)C1 ZINC000330720353 270045259 /nfs/dbraw/zinc/04/52/59/270045259.db2.gz FBUVTPDKDFPXPV-QGZVFWFLSA-N -1 0 333.457 3.423 20 30 EGEDRM Cc1cccc([N-]S(=O)(=O)c2cnc3ccc(F)cc3c2)c1C#N ZINC000430071750 270050197 /nfs/dbraw/zinc/05/01/97/270050197.db2.gz ORSYJHKZNXEBBL-UHFFFAOYSA-N -1 0 341.367 3.355 20 30 EGEDRM CC(=Cc1ccc(Br)cc1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000435338600 270051237 /nfs/dbraw/zinc/05/12/37/270051237.db2.gz HDOLRIPCPLCUJH-VQHVLOKHSA-N -1 0 330.185 3.273 20 30 EGEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000185432576 265878450 /nfs/dbraw/zinc/87/84/50/265878450.db2.gz IVXRNRCYCPVADX-UHFFFAOYSA-N -1 0 341.323 3.212 20 30 EGEDRM CCN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])[C@@H](C)c1ccc(C#N)cc1 ZINC000157644514 266097665 /nfs/dbraw/zinc/09/76/65/266097665.db2.gz YDYIBGNYZZDKIL-LBPRGKRZSA-N -1 0 339.351 3.395 20 30 EGEDRM CCOc1cc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)cc(Cl)c1O ZINC000193612730 266306458 /nfs/dbraw/zinc/30/64/58/266306458.db2.gz UBVBAAATQWHARU-WEVVVXLNSA-N -1 0 345.786 3.268 20 30 EGEDRM CCc1c(NC(=O)c2ccc(C#N)c([O-])c2)cnn1CCC(C)C ZINC000427420480 267242782 /nfs/dbraw/zinc/24/27/82/267242782.db2.gz LCJSBSGMACRHFU-UHFFFAOYSA-N -1 0 326.400 3.321 20 30 EGEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1nc2c(s1)C[C@H](C)CC2 ZINC000332205233 267399525 /nfs/dbraw/zinc/39/95/25/267399525.db2.gz IPOKTCPEJJVDAC-SNVBAGLBSA-N -1 0 347.465 3.249 20 30 EGEDRM Cc1cc(Cl)cc([N-]S(=O)(=O)c2ccc(C#N)cc2F)c1O ZINC000525174385 268002809 /nfs/dbraw/zinc/00/28/09/268002809.db2.gz ZBPSNHANRCZIKY-UHFFFAOYSA-N -1 0 340.763 3.166 20 30 EGEDRM CCSCc1ccnc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c1 ZINC000278488987 268024287 /nfs/dbraw/zinc/02/42/87/268024287.db2.gz LAYDFRNGNBPRBF-UHFFFAOYSA-N -1 0 347.465 3.316 20 30 EGEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccccc1OC(C)C ZINC000513422266 268030211 /nfs/dbraw/zinc/03/02/11/268030211.db2.gz SWPSUHBMRNRXHN-UHFFFAOYSA-N -1 0 330.409 3.455 20 30 EGEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1noc2ccc(Cl)cc21 ZINC000427644703 268030507 /nfs/dbraw/zinc/03/05/07/268030507.db2.gz KGMIUYXFDXVETQ-UHFFFAOYSA-N -1 0 347.783 3.462 20 30 EGEDRM Cc1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2N(C)C)c1C#N ZINC000440809913 268056697 /nfs/dbraw/zinc/05/66/97/268056697.db2.gz OCEDVLGVDMYHIP-UHFFFAOYSA-N -1 0 349.843 3.387 20 30 EGEDRM Cn1cc(CN=c2[n-]nc([C@@H]3CCCc4ccccc43)s2)cc1C#N ZINC000432429665 268127050 /nfs/dbraw/zinc/12/70/50/268127050.db2.gz QBKJMHAEWCTHIS-QGZVFWFLSA-N -1 0 349.463 3.250 20 30 EGEDRM N#Cc1cccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])c1 ZINC000436478615 268282968 /nfs/dbraw/zinc/28/29/68/268282968.db2.gz MZUZMCVGURGSBW-UHFFFAOYSA-N -1 0 342.298 3.083 20 30 EGEDRM CCCOc1cc(F)ccc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000161293501 307901424 /nfs/dbraw/zinc/90/14/24/307901424.db2.gz KCZLHNIBCIVRMA-UHFFFAOYSA-N -1 0 334.372 3.287 20 30 EGEDRM COc1ccccc1[C@@H](CC(C)C)NS(=O)(=O)c1ccc(C#N)o1 ZINC000553487065 315266304 /nfs/dbraw/zinc/26/63/04/315266304.db2.gz UZTXRAHJGJPBCB-OAHLLOKOSA-N -1 0 348.424 3.226 20 30 EGEDRM CCc1cc(C#N)c([N-]S(=O)(=O)c2sccc2OC)s1 ZINC000570493886 317063777 /nfs/dbraw/zinc/06/37/77/317063777.db2.gz ZAQCECGYHDUJHC-UHFFFAOYSA-N -1 0 328.440 3.053 20 30 EGEDRM CN(Cc1nc(=O)c2sccc2[n-]1)c1ccc2cc(C#N)ccc2n1 ZINC000571253397 317172152 /nfs/dbraw/zinc/17/21/52/317172152.db2.gz YIRDZYMZIFTNQI-UHFFFAOYSA-N -1 0 347.403 3.453 20 30 EGEDRM CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)on1 ZINC000186594659 323733678 /nfs/dbraw/zinc/73/36/78/323733678.db2.gz LHNJWLGVCLPBPO-UHFFFAOYSA-N -1 0 339.804 3.298 20 30 EGEDRM COC[C@@H](C)Oc1cccc(-c2cccc(OCC(=O)[O-])c2C#N)c1 ZINC000579253277 325085641 /nfs/dbraw/zinc/08/56/41/325085641.db2.gz NZFXPJBRWAPCFA-CYBMUJFWSA-N -1 0 341.363 3.102 20 30 EGEDRM Cc1[n-][nH]c(=NC(=O)C2(Cc3cccs3)CCCCC2)c1C#N ZINC000579296486 325088862 /nfs/dbraw/zinc/08/88/62/325088862.db2.gz AQCGIAJTWXDVDL-UHFFFAOYSA-N -1 0 328.441 3.205 20 30 EGEDRM Cc1ccc(-c2[n-][nH]c(=NC(=O)C3(c4cccc(C#N)c4)CC3)c2C)o1 ZINC000581765707 325389285 /nfs/dbraw/zinc/38/92/85/325389285.db2.gz DECOXZPBAHMONY-UHFFFAOYSA-N -1 0 346.390 3.250 20 30 EGEDRM N#Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000180734549 455236289 /nfs/dbraw/zinc/23/62/89/455236289.db2.gz FALVHWPZOYFKOG-UHFFFAOYSA-N -1 0 328.727 3.291 20 30 EGEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1cccc(Br)c1 ZINC000003452009 452767531 /nfs/dbraw/zinc/76/75/31/452767531.db2.gz ZWAHCMKODZBRPY-UHFFFAOYSA-N -1 0 337.198 3.122 20 30 EGEDRM Cc1cc2sc([N-]S(=O)(=O)c3ccc(C#N)cc3)nc2c(C)c1 ZINC000007055268 453025840 /nfs/dbraw/zinc/02/58/40/453025840.db2.gz WQDYEWNCFXBUQA-UHFFFAOYSA-N -1 0 343.433 3.008 20 30 EGEDRM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C#N)cc1OCC ZINC000007927752 453135973 /nfs/dbraw/zinc/13/59/73/453135973.db2.gz KAOIDFSPKFUGIA-UHFFFAOYSA-N -1 0 346.408 3.156 20 30 EGEDRM CC[C@](C)(CC(=O)[O-])C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000634893456 460586109 /nfs/dbraw/zinc/58/61/09/460586109.db2.gz QQQKROCJZMZEOR-MRXNPFEDSA-N -1 0 341.329 3.064 20 30 EGEDRM N#Cc1cc([N-]S(=O)(=O)c2cc(F)cc(F)c2)ccc1Cl ZINC000010514778 453294701 /nfs/dbraw/zinc/29/47/01/453294701.db2.gz DXJUJPFBFGRAKH-UHFFFAOYSA-N -1 0 328.727 3.291 20 30 EGEDRM CC(C)Oc1cccc(C=CC(=O)[N-]S(=O)(=O)c2cccnc2)c1 ZINC000067600269 453947421 /nfs/dbraw/zinc/94/74/21/453947421.db2.gz ZNVXXRKFZYPNOC-CMDGGOBGSA-N -1 0 346.408 3.227 20 30 EGEDRM Cc1cc(C(C#N)=C([O-])c2cc(-c3ccc(F)cc3)[nH]n2)nc(C)n1 ZINC000041559954 453971776 /nfs/dbraw/zinc/97/17/76/453971776.db2.gz BSQPMAOKBURGHJ-CQSZACIVSA-N -1 0 335.342 3.113 20 30 EGEDRM C[S@@](=O)Cc1cccc(C([O-])=C(C#N)c2nc3ccccc3o2)c1 ZINC000041542183 453971798 /nfs/dbraw/zinc/97/17/98/453971798.db2.gz TWLJLEBSITVSRV-SHACYNPGSA-N -1 0 338.388 3.196 20 30 EGEDRM N#Cc1ccc(OC(F)F)c([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000076195376 453978207 /nfs/dbraw/zinc/97/82/07/453978207.db2.gz FSDWHUGTQQKEQT-UHFFFAOYSA-N -1 0 342.298 3.100 20 30 EGEDRM CC(C)CS(=O)(=O)[N-]C(=O)C=Cc1cnc(C(C)(C)C)s1 ZINC000076910409 454047736 /nfs/dbraw/zinc/04/77/36/454047736.db2.gz ANNBRQXVGJPVHO-VOTSOKGWSA-N -1 0 330.475 3.396 20 30 EGEDRM CCCc1nc(C)c(C([O-])=C(C#N)c2nnc3n2CCCCC3)s1 ZINC000077479751 454110361 /nfs/dbraw/zinc/11/03/61/454110361.db2.gz AMILONOMTHWGIW-LBPRGKRZSA-N -1 0 343.456 3.212 20 30 EGEDRM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ncccc1OCCCC#N ZINC000069677748 454132120 /nfs/dbraw/zinc/13/21/20/454132120.db2.gz AUMRNERWDBYEMG-UHFFFAOYSA-N -1 0 349.387 3.013 20 30 EGEDRM Cc1c2cccc(Cl)c2oc1C(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC000045581102 454168526 /nfs/dbraw/zinc/16/85/26/454168526.db2.gz ZGQXQHLLGXOLTO-UHFFFAOYSA-N -1 0 325.715 3.113 20 30 EGEDRM CC(C)c1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])c1 ZINC000130313242 454189024 /nfs/dbraw/zinc/18/90/24/454189024.db2.gz YNYATAOGMWALKE-UHFFFAOYSA-N -1 0 345.380 3.391 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2)cc1Cl ZINC000059772034 454262981 /nfs/dbraw/zinc/26/29/81/454262981.db2.gz DDTJFXWXEISDIL-UHFFFAOYSA-N -1 0 328.727 3.291 20 30 EGEDRM N#CCC[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccccc1 ZINC000120986955 454374158 /nfs/dbraw/zinc/37/41/58/454374158.db2.gz ARLLPYQEQXVFSQ-AWEZNQCLSA-N -1 0 325.324 3.075 20 30 EGEDRM COc1ccc([N+](=O)[O-])c(C([O-])=C(C#N)c2nc3ccccc3o2)c1 ZINC000063236147 454397815 /nfs/dbraw/zinc/39/78/15/454397815.db2.gz OLEJRXFPXRTUIT-GFCCVEGCSA-N -1 0 337.291 3.235 20 30 EGEDRM N#CC(=C([O-])c1cc2occc2s1)c1nnc2n1CCCCC2 ZINC000606147742 460636666 /nfs/dbraw/zinc/63/66/66/460636666.db2.gz ZOBWLRCBEXECKZ-JTQLQIEISA-N -1 0 326.381 3.302 20 30 EGEDRM Cc1ccc(C([O-])=C(C#N)c2nc3ccccc3n2C)cc1[N+](=O)[O-] ZINC000123444671 454637911 /nfs/dbraw/zinc/63/79/11/454637911.db2.gz BGYITDCBJPMIJY-ZDUSSCGKSA-N -1 0 334.335 3.280 20 30 EGEDRM C=CCN(CCc1ccccc1)Cc1c([O-])nnn1-c1ccccc1 ZINC000065943194 454641993 /nfs/dbraw/zinc/64/19/93/454641993.db2.gz INBQHDVFTLIZLK-UHFFFAOYSA-N -1 0 334.423 3.204 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(CC3CCCCC3)[nH]n2)cc1 ZINC000162670874 454792689 /nfs/dbraw/zinc/79/26/89/454792689.db2.gz PWBWLDWCLSABBF-UHFFFAOYSA-N -1 0 344.440 3.205 20 30 EGEDRM Cn1ncc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)c1C1CC1 ZINC000146868679 454860924 /nfs/dbraw/zinc/86/09/24/454860924.db2.gz POYGKLFJQRCWFR-NSHDSACASA-N -1 0 334.301 3.201 20 30 EGEDRM CC(C)n1cc(C#N)c([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)n1 ZINC000164015047 454871713 /nfs/dbraw/zinc/87/17/13/454871713.db2.gz ALUNASBLLAAWTL-UHFFFAOYSA-N -1 0 346.456 3.434 20 30 EGEDRM N#CC(=C([O-])c1csc([C@@H]2CCCO2)n1)c1nc2ccccc2[nH]1 ZINC000165270517 454897063 /nfs/dbraw/zinc/89/70/63/454897063.db2.gz QVKDTVQNMQNPPK-HZMBPMFUSA-N -1 0 338.392 3.361 20 30 EGEDRM N#CC(=C([O-])c1n[nH]c2c1CCCC2)c1nc(-c2ccncc2)cs1 ZINC000114620994 454964828 /nfs/dbraw/zinc/96/48/28/454964828.db2.gz UUTIBPXAFKQKQI-CYBMUJFWSA-N -1 0 349.419 3.297 20 30 EGEDRM CC(C)(C)c1[n-]n(CCOc2ccc(C#N)cc2)c(=O)c1CCC#N ZINC000151845551 455039539 /nfs/dbraw/zinc/03/95/39/455039539.db2.gz QDJYNWKFJWBZSV-UHFFFAOYSA-N -1 0 338.411 3.293 20 30 EGEDRM COc1cc(C([O-])=C(C#N)c2nc3ccccc3o2)ccc1[N+](=O)[O-] ZINC000171330379 455062887 /nfs/dbraw/zinc/06/28/87/455062887.db2.gz IJIJHQMSDHWEIC-LLVKDONJSA-N -1 0 337.291 3.235 20 30 EGEDRM COc1ccc(C(=O)/C=C/c2cn(C)nc2-c2ccncc2)c([O-])c1 ZINC000156621021 455139493 /nfs/dbraw/zinc/13/94/93/455139493.db2.gz ORVXIZMXECDHFW-ZZXKWVIFSA-N -1 0 335.363 3.092 20 30 EGEDRM CC(C)Oc1cccc(C([O-])=C(C#N)c2cnc3ccccc3n2)n1 ZINC000190947191 455412125 /nfs/dbraw/zinc/41/21/25/455412125.db2.gz SGPPPUKSLNZKKU-ZDUSSCGKSA-N -1 0 332.363 3.302 20 30 EGEDRM CCCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000161295861 455556231 /nfs/dbraw/zinc/55/62/31/455556231.db2.gz LQDVIAOQIUCUPL-UHFFFAOYSA-N -1 0 334.372 3.287 20 30 EGEDRM Cc1csc(NC(=O)CC2(C(=O)[O-])Cc3ccccc3C2)c1C#N ZINC000284981871 455771506 /nfs/dbraw/zinc/77/15/06/455771506.db2.gz FXJVLKNDBQRSMK-UHFFFAOYSA-N -1 0 340.404 3.127 20 30 EGEDRM N#C[C@]1(NC(=O)c2ccc3[n-]c(=S)oc3c2)CCc2ccccc2C1 ZINC000186894920 455847897 /nfs/dbraw/zinc/84/78/97/455847897.db2.gz GVVZQCBLMVQRGJ-IBGZPJMESA-N -1 0 349.415 3.298 20 30 EGEDRM C=CCCO[C@H](C)C(=O)N[C@@H](C[C@@H]1CCCc2ccccc21)C(=O)[O-] ZINC000262911698 456068025 /nfs/dbraw/zinc/06/80/25/456068025.db2.gz DNZZLWQBAWUROU-HFTRVMKXSA-N -1 0 345.439 3.047 20 30 EGEDRM N#CCc1cccc(S(=O)(=O)[N-]c2nc3c(s2)CCCCC3)c1 ZINC000225398893 456080216 /nfs/dbraw/zinc/08/02/16/456080216.db2.gz MHKANVKYDDEPFH-UHFFFAOYSA-N -1 0 347.465 3.279 20 30 EGEDRM C=CCOCCCC(=O)N[C@@H](C[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC000263107035 456094384 /nfs/dbraw/zinc/09/43/84/456094384.db2.gz RNKFQWBICYHQGP-AEFFLSMTSA-N -1 0 345.439 3.049 20 30 EGEDRM N#Cc1ccccc1COc1cccc(CN=c2[n-]c(C3CC3)no2)c1 ZINC000347760773 456355350 /nfs/dbraw/zinc/35/53/50/456355350.db2.gz QDZWJWMQYOTIOB-UHFFFAOYSA-N -1 0 346.390 3.432 20 30 EGEDRM CCCCCCCS(=O)(=O)[N-]c1nnc(Cc2ccccc2)o1 ZINC000282094784 456412688 /nfs/dbraw/zinc/41/26/88/456412688.db2.gz YUODYIBTQDDZKD-UHFFFAOYSA-N -1 0 337.445 3.373 20 30 EGEDRM C=CCOc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)cc1 ZINC000347888938 456423844 /nfs/dbraw/zinc/42/38/44/456423844.db2.gz QLSATGDXRGYMHL-KRWDZBQOSA-N -1 0 343.354 3.336 20 30 EGEDRM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)[C@@H]3CCCCO3)c2)c1 ZINC000343163081 456444442 /nfs/dbraw/zinc/44/44/42/456444442.db2.gz WDBSYOBZCUFWAA-IBGZPJMESA-N -1 0 349.386 3.292 20 30 EGEDRM CCc1c([N-]S(=O)(=O)c2cccc(C#N)c2)cnn1CCC(C)C ZINC000276857864 456600955 /nfs/dbraw/zinc/60/09/55/456600955.db2.gz FZTBPFDYSFRMRP-UHFFFAOYSA-N -1 0 346.456 3.164 20 30 EGEDRM Cc1ccc(CS(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2c2cccnc2)c(F)c1 ZINC000328594511 456716057 /nfs/dbraw/zinc/71/60/57/456716057.db2.gz POHLIILZCSCCRZ-LSDHHAIUSA-N -1 0 348.399 3.119 20 30 EGEDRM C=CCCCS(=O)(=O)[N-]c1nnc(CCCc2cccs2)o1 ZINC000291897644 456791350 /nfs/dbraw/zinc/79/13/50/456791350.db2.gz PVPUQRPSFDXIHP-UHFFFAOYSA-N -1 0 341.458 3.014 20 30 EGEDRM CC1(C)Cc2cc(S(=O)(=O)[N-]c3ccc(F)cc3C#N)ccc2O1 ZINC000353815584 456919826 /nfs/dbraw/zinc/91/98/26/456919826.db2.gz NQYZYTYUSFKOPQ-UHFFFAOYSA-N -1 0 346.383 3.212 20 30 EGEDRM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)C[C@H]3CCOC3)c2)c1 ZINC000362745993 457074987 /nfs/dbraw/zinc/07/49/87/457074987.db2.gz FVGRCHQQPBYWMR-QGZVFWFLSA-N -1 0 349.386 3.150 20 30 EGEDRM Cc1ccsc1S(=O)(=O)[N-]c1cc(C#N)ccc1OC(F)F ZINC000356725203 457136073 /nfs/dbraw/zinc/13/60/73/457136073.db2.gz WFWXEEFOYQGKFC-UHFFFAOYSA-N -1 0 344.364 3.330 20 30 EGEDRM C=CC[C@H]1N(C(=O)N=c2nc([C@@H](C)OC)[n-]s2)CCCC1(C)C ZINC000350719524 457199111 /nfs/dbraw/zinc/19/91/11/457199111.db2.gz UABCKUAMLDRJDW-VXGBXAGGSA-N -1 0 338.477 3.266 20 30 EGEDRM C=CC[C@H]1N(C(=O)N=c2nc([C@H](C)OC)[n-]s2)CCCC1(C)C ZINC000350719522 457199883 /nfs/dbraw/zinc/19/98/83/457199883.db2.gz UABCKUAMLDRJDW-NWDGAFQWSA-N -1 0 338.477 3.266 20 30 EGEDRM C=CCn1c(CCCc2cccs2)n[n-]c1=Nc1c(C)n[nH]c1C ZINC000351071794 457218857 /nfs/dbraw/zinc/21/88/57/457218857.db2.gz FRKJIPFMASGCTE-UHFFFAOYSA-N -1 0 342.472 3.206 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)c2ccncn2)nc(-c2ccc(Cl)cc2)n1 ZINC000354464949 457240829 /nfs/dbraw/zinc/24/08/29/457240829.db2.gz LGVCCCFNDZTRNN-AWEZNQCLSA-N -1 0 349.781 3.386 20 30 EGEDRM COc1ccc(-c2nc(C([O-])=C(C#N)c3ccncn3)cs2)cc1 ZINC000354472639 457245993 /nfs/dbraw/zinc/24/59/93/457245993.db2.gz PDSFAZJIWBFCCA-CYBMUJFWSA-N -1 0 336.376 3.099 20 30 EGEDRM Cn1cc(/C=C/C(=O)c2ccc(CC(=O)[O-])cc2)c(-c2ccncc2)n1 ZINC000363210101 457258482 /nfs/dbraw/zinc/25/84/82/457258482.db2.gz AZJKUKKWFMNHIV-VOTSOKGWSA-N -1 0 347.374 3.005 20 30 EGEDRM N#Cc1cccnc1[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000342570015 457371574 /nfs/dbraw/zinc/37/15/74/457371574.db2.gz QCNYVXXJBCTXMM-UHFFFAOYSA-N -1 0 328.180 3.061 20 30 EGEDRM N#CC(=C([O-])c1cccc2c1OCC(=O)N2)c1nc2ccccc2s1 ZINC000352696946 457539052 /nfs/dbraw/zinc/53/90/52/457539052.db2.gz UPKRXDFQKHXCOT-LLVKDONJSA-N -1 0 349.371 3.117 20 30 EGEDRM N#CC(=C([O-])c1cccc2c1OCC(=O)N2)c1nc2ccccc2s1 ZINC000352696947 457539646 /nfs/dbraw/zinc/53/96/46/457539646.db2.gz UPKRXDFQKHXCOT-NSHDSACASA-N -1 0 349.371 3.117 20 30 EGEDRM CC1(C)Cc2cccc(S(=O)(=O)[N-]c3ccc(C#N)c(F)c3)c2O1 ZINC000357474093 457551515 /nfs/dbraw/zinc/55/15/15/457551515.db2.gz LHIRNQHIAJVJCS-UHFFFAOYSA-N -1 0 346.383 3.212 20 30 EGEDRM Cc1nc([N-]S(=O)(=O)c2ccc(C#N)o2)ccc1-c1ccccc1 ZINC000357528206 457580767 /nfs/dbraw/zinc/58/07/67/457580767.db2.gz HANKAEQBYZCYDH-UHFFFAOYSA-N -1 0 339.376 3.323 20 30 EGEDRM Cc1cn2cc(C([O-])=C(C#N)c3cnc4ccccc4n3)sc2n1 ZINC000361530542 457773059 /nfs/dbraw/zinc/77/30/59/457773059.db2.gz YXRPIFIDXSNHHF-LLVKDONJSA-N -1 0 333.376 3.138 20 30 EGEDRM Cc1csc([C@H](NS(=O)(=O)c2ccc(C#N)c(C)c2)C2CC2)n1 ZINC000443913316 457823564 /nfs/dbraw/zinc/82/35/64/457823564.db2.gz MYIPDTYXNDLZIK-OAHLLOKOSA-N -1 0 347.465 3.061 20 30 EGEDRM N#CC(=C([O-])c1c[nH]nc1-c1cc2ccccc2o1)c1ccncn1 ZINC000444455024 457899922 /nfs/dbraw/zinc/89/99/22/457899922.db2.gz RFBQBVBDJFHBJJ-LBPRGKRZSA-N -1 0 329.319 3.103 20 30 EGEDRM C=CCCCS(=O)(=O)[N-]c1nc2c(cccc2COC)s1 ZINC000427780044 458035293 /nfs/dbraw/zinc/03/52/93/458035293.db2.gz IUWUBYFBFGFANV-UHFFFAOYSA-N -1 0 326.443 3.151 20 30 EGEDRM COCc1ncc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)s1 ZINC000362171636 458039572 /nfs/dbraw/zinc/03/95/72/458039572.db2.gz LUECVUBOWCIGAK-SECBINFHSA-N -1 0 341.314 3.193 20 30 EGEDRM N#Cc1cc(F)c(C(=O)Nc2cc3c(cc2F)CCC(=O)N3)c(F)c1 ZINC000445524824 458059459 /nfs/dbraw/zinc/05/94/59/458059459.db2.gz QKFGWSRDXUWGGW-UHFFFAOYSA-N -1 0 345.280 3.113 20 30 EGEDRM C=CCN=c1[n-]nc(SCc2ncccc2C(F)(F)F)s1 ZINC000428064271 458074459 /nfs/dbraw/zinc/07/44/59/458074459.db2.gz PCDYROBLXATXQE-UHFFFAOYSA-N -1 0 332.376 3.264 20 30 EGEDRM Cc1nn(C)c(Sc2ccccc2)c1C([O-])=C(C#N)c1ccncn1 ZINC000362289650 458084546 /nfs/dbraw/zinc/08/45/46/458084546.db2.gz WXCKLJHBLYWLBT-CQSZACIVSA-N -1 0 349.419 3.160 20 30 EGEDRM N#Cc1ccc(C(=O)[O-])nc1/C=C\c1nccn1Cc1ccccc1 ZINC000358826796 458242315 /nfs/dbraw/zinc/24/23/15/458242315.db2.gz MXFWECDDKKZDEL-HJWRWDBZSA-N -1 0 330.347 3.067 20 30 EGEDRM CCCOc1cccnc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000429115168 458273736 /nfs/dbraw/zinc/27/37/36/458273736.db2.gz NTUZQIWEMNZPSI-ZDUSSCGKSA-N -1 0 334.379 3.247 20 30 EGEDRM C=C[C@H]1CCCCN1C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000447575544 458315213 /nfs/dbraw/zinc/31/52/13/458315213.db2.gz YOYQQYAOUDZMHH-ZDUSSCGKSA-N -1 0 331.803 3.412 20 30 EGEDRM C=CC[C@@H](Cc1ccccc1)NC(=O)N=c1[n-]nc(C(F)F)s1 ZINC000416775237 458354908 /nfs/dbraw/zinc/35/49/08/458354908.db2.gz LPYDRCQFTSMXEC-NSHDSACASA-N -1 0 338.383 3.207 20 30 EGEDRM C=CCC[C@@H](CO)N=c1[n-]c(C(F)(F)F)c(Br)s1 ZINC000418966906 458377562 /nfs/dbraw/zinc/37/75/62/458377562.db2.gz YRBIMKQTTZNUED-LURJTMIESA-N -1 0 345.184 3.085 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cnc(C(C)C)s2)n1 ZINC000448324252 458399686 /nfs/dbraw/zinc/39/96/86/458399686.db2.gz CZXNGIPGSPNDJM-SECBINFHSA-N -1 0 349.437 3.390 20 30 EGEDRM C=CCC[C@@H](NC(=O)c1csc(CCc2ccccc2)n1)C(=O)[O-] ZINC000448990525 458418160 /nfs/dbraw/zinc/41/81/60/458418160.db2.gz HFJNKRVESGBEKV-CQSZACIVSA-N -1 0 344.436 3.078 20 30 EGEDRM CC(C)(C)OC(=O)N[C@@H]1CCCC1N=Nc1ccc(C(=O)[O-])cc1 ZINC000494400177 458670033 /nfs/dbraw/zinc/67/00/33/458670033.db2.gz RGVOVDDHWLBITA-CYBMUJFWSA-N -1 0 333.388 3.230 20 30 EGEDRM C=CCN(C)C(=O)N=c1[n-]nc(-c2ccc(Cl)cc2F)s1 ZINC000471313368 458689711 /nfs/dbraw/zinc/68/97/11/458689711.db2.gz GICQCWIWZYEOAG-UHFFFAOYSA-N -1 0 326.784 3.069 20 30 EGEDRM C=CCCC[C@H](C)[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000509202768 458770151 /nfs/dbraw/zinc/77/01/51/458770151.db2.gz LXSOVQSTGOOQRQ-QMMMGPOBSA-N -1 0 325.327 3.266 20 30 EGEDRM CC(C)(C#N)c1ccc(NC(=O)N2CCC[C@H](CC(=O)[O-])C2)cc1 ZINC000514663079 458800419 /nfs/dbraw/zinc/80/04/19/458800419.db2.gz POWDSHYLUSDNTD-CYBMUJFWSA-N -1 0 329.400 3.206 20 30 EGEDRM C=CCC[C@H](NS(=O)(=O)c1ccccc1-c1ccccc1)C(=O)[O-] ZINC000517271131 458827481 /nfs/dbraw/zinc/82/74/81/458827481.db2.gz GAAKJTGKINEDTJ-INIZCTEOSA-N -1 0 345.420 3.051 20 30 EGEDRM Cc1cc(C#N)cnc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000551865095 458889651 /nfs/dbraw/zinc/88/96/51/458889651.db2.gz NRXDQBLAQGEPDG-GFCCVEGCSA-N -1 0 330.269 3.166 20 30 EGEDRM C=CCC[C@H](NC(=O)NCCc1csc2ccccc12)C(=O)[O-] ZINC000518918870 458900371 /nfs/dbraw/zinc/90/03/71/458900371.db2.gz QCHAKVBFOKRRBN-AWEZNQCLSA-N -1 0 332.425 3.162 20 30 EGEDRM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1cc(C)cc(C#N)c1 ZINC000556289300 458945993 /nfs/dbraw/zinc/94/59/93/458945993.db2.gz VJVAUERWZJMJDK-UHFFFAOYSA-N -1 0 332.429 3.062 20 30 EGEDRM CCO[C@H](C)c1ncc(C([O-])=C(C#N)c2cc(C)nc(C)n2)s1 ZINC000442645150 459020430 /nfs/dbraw/zinc/02/04/30/459020430.db2.gz ILCVGGMFUSAMNP-ZYHUDNBSSA-N -1 0 330.413 3.138 20 30 EGEDRM CC(C)Cn1cc(NC(=O)c2ccc(C#N)c([O-])c2)c(C(F)F)n1 ZINC000442670357 459022783 /nfs/dbraw/zinc/02/27/83/459022783.db2.gz FFQMTXBWLIKEQO-UHFFFAOYSA-N -1 0 334.326 3.306 20 30 EGEDRM C=C(C)Cn1c(Cc2ccsc2)n[n-]c1=Nc1c(C)n[nH]c1C ZINC000567292840 459081646 /nfs/dbraw/zinc/08/16/46/459081646.db2.gz NVYPSADXALMCKN-UHFFFAOYSA-N -1 0 328.445 3.012 20 30 EGEDRM COc1ccc(CN=c2[n-]nc(C3CC3)s2)cc1OCCCC#N ZINC000558194716 459138817 /nfs/dbraw/zinc/13/88/17/459138817.db2.gz VQLIQTJOTWBDOI-UHFFFAOYSA-N -1 0 344.440 3.141 20 30 EGEDRM C=C(C)CN(Cc1ccccc1)S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000479900534 459172671 /nfs/dbraw/zinc/17/26/71/459172671.db2.gz JZSSPKNAMXFYDD-UHFFFAOYSA-N -1 0 345.420 3.152 20 30 EGEDRM N#CC1CCC(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000582183293 459323021 /nfs/dbraw/zinc/32/30/21/459323021.db2.gz IBGALKOSACWWJD-UHFFFAOYSA-N -1 0 337.763 3.014 20 30 EGEDRM C=CCSCCNC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000591269299 459344385 /nfs/dbraw/zinc/34/43/85/459344385.db2.gz DESLXBCHSOUDIW-UHFFFAOYSA-N -1 0 348.468 3.193 20 30 EGEDRM C=CCN(C(=O)N=c1[n-]nc(C(C)(C)c2ccccc2)s1)C1CC1 ZINC000540129537 459378956 /nfs/dbraw/zinc/37/89/56/459378956.db2.gz HZFRCBNCCODKSA-UHFFFAOYSA-N -1 0 342.468 3.468 20 30 EGEDRM C=CCCCS(=O)(=O)[N-][C@H](c1ccc(F)cc1)C(F)(F)F ZINC000489496835 459565119 /nfs/dbraw/zinc/56/51/19/459565119.db2.gz MCOXKVXCGJXHCX-GFCCVEGCSA-N -1 0 325.327 3.315 20 30 EGEDRM C=CCC[C@H](NC(=O)NCc1c(OC)ccc2ccccc21)C(=O)[O-] ZINC000571737936 459572359 /nfs/dbraw/zinc/57/23/59/459572359.db2.gz WFELEAVSMPQYNP-INIZCTEOSA-N -1 0 342.395 3.067 20 30 EGEDRM C#C[C@H](NC(=O)c1s[n-]c(=O)c1Cl)c1ccc(Cl)cc1F ZINC000491096716 459598492 /nfs/dbraw/zinc/59/84/92/459598492.db2.gz VRLJOROISFYBIL-VIFPVBQESA-N -1 0 345.182 3.399 20 30 EGEDRM N#Cc1[n-]c(=NC[C@@H](OC2CCCC2)C(F)(F)F)sc1Cl ZINC000596414954 459629105 /nfs/dbraw/zinc/62/91/05/459629105.db2.gz FMIGMIWLSLIPMZ-SECBINFHSA-N -1 0 339.770 3.392 20 30 EGEDRM CC(C)CCc1ccc([N-]S(=O)(=O)c2cncc(C#N)c2)cc1 ZINC000573173796 459635560 /nfs/dbraw/zinc/63/55/60/459635560.db2.gz UTAYZHPHWQTXQV-UHFFFAOYSA-N -1 0 329.425 3.343 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)N2c3ccccc3CC[C@@H]2C)cc1C#N ZINC000596679849 459726113 /nfs/dbraw/zinc/72/61/13/459726113.db2.gz SZFPQLHBIQTNMB-NSHDSACASA-N -1 0 339.420 3.362 20 30 EGEDRM C[C@@H](C(=O)N=c1[n-]n(C(C)(C)C)cc1C#N)c1ccc(Cl)cc1 ZINC000593080095 459767232 /nfs/dbraw/zinc/76/72/32/459767232.db2.gz DZQODJNTDARYAV-LLVKDONJSA-N -1 0 330.819 3.327 20 30 EGEDRM C=C(C)COc1cccc(NC(=O)N2CC[C@@H](C)C[C@@H]2C(=O)[O-])c1 ZINC000574389122 459812563 /nfs/dbraw/zinc/81/25/63/459812563.db2.gz VCQQCMXIFOIWQZ-CZUORRHYSA-N -1 0 332.400 3.359 20 30 EGEDRM CCC(C#N)(CC)C(=O)[N-]S(=O)(=O)c1csc2ccccc21 ZINC000529015171 459820999 /nfs/dbraw/zinc/82/09/99/459820999.db2.gz RXNYLUUOLYBANU-UHFFFAOYSA-N -1 0 336.438 3.036 20 30 EGEDRM C=CCC1(NC(=O)c2cccc(C(F)(F)F)c2[O-])CCOCC1 ZINC000618251740 459941628 /nfs/dbraw/zinc/94/16/28/459941628.db2.gz RDMBGYRXQQGKLS-UHFFFAOYSA-N -1 0 329.318 3.266 20 30 EGEDRM C=CCCOCC(=O)N1CCC([C@H](CC(=O)[O-])c2ccccc2)CC1 ZINC000621543759 459955316 /nfs/dbraw/zinc/95/53/16/459955316.db2.gz GCYMKYHTBWCCOQ-GOSISDBHSA-N -1 0 345.439 3.076 20 30 EGEDRM N#CCc1ccc(C(=O)N2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])cc1 ZINC000598660547 459982577 /nfs/dbraw/zinc/98/25/77/459982577.db2.gz ASGSTJKHQFGKOZ-QZTJIDSGSA-N -1 0 340.423 3.248 20 30 EGEDRM CC(=O)c1cc(C#N)ccc1NC(=O)CC1(C(=O)[O-])CCCCC1 ZINC000575850109 460017414 /nfs/dbraw/zinc/01/74/14/460017414.db2.gz OSOBMJPXSSGBQU-UHFFFAOYSA-N -1 0 328.368 3.125 20 30 EGEDRM CC(C)Sc1ccc([C@H](C)NC(=O)N=c2[n-]n(C)cc2C#N)cc1 ZINC000610564962 460185218 /nfs/dbraw/zinc/18/52/18/460185218.db2.gz USSSYCYHAZNBKM-LBPRGKRZSA-N -1 0 343.456 3.097 20 30 EGEDRM N#Cc1ccc(C(=O)[O-])nc1/C=C\c1cc2c(c(Cl)c1)OCO2 ZINC000603614127 460328536 /nfs/dbraw/zinc/32/85/36/460328536.db2.gz URVGQVZDSGOVQT-IWQZZHSRSA-N -1 0 328.711 3.204 20 30 EGEDRM N#C[C@@H](Cc1ccccc1)Sc1n[n-]c(=NCC(F)(F)F)s1 ZINC000604508395 460439005 /nfs/dbraw/zinc/43/90/05/460439005.db2.gz YKJUOVZSTCTLAN-SNVBAGLBSA-N -1 0 344.387 3.161 20 30 EGEDRM CCn1cc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)c(C)n1 ZINC000626300323 460469203 /nfs/dbraw/zinc/46/92/03/460469203.db2.gz YNQILENMQGDDEG-NSHDSACASA-N -1 0 343.337 3.446 20 30 EGEDRM C=CCC[C@@H](NC(=O)CCc1ccccc1C(F)(F)F)C(=O)[O-] ZINC000630180687 461052398 /nfs/dbraw/zinc/05/23/98/461052398.db2.gz DYIHEGNGOONSGN-CYBMUJFWSA-N -1 0 329.318 3.174 20 30 EGEDRM C=C(C)C[C@H](NC(=O)c1ccc(OC)c(OC2CCCC2)c1)C(=O)[O-] ZINC000630319578 461094063 /nfs/dbraw/zinc/09/40/63/461094063.db2.gz CTIQJYUYZSGHBQ-HNNXBMFYSA-N -1 0 347.411 3.166 20 30 EGEDRM C=C(C)C[C@H](NC(=O)c1sc(Cc2ccccc2)nc1C)C(=O)[O-] ZINC000630323956 461095560 /nfs/dbraw/zinc/09/55/60/461095560.db2.gz CIKPYCGZUNFBKC-AWEZNQCLSA-N -1 0 344.436 3.192 20 30 EGEDRM CC(C)(CCC(=O)[O-])Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000263448515 535009420 /nfs/dbraw/zinc/00/94/20/535009420.db2.gz ZLRJKWHDJGTZMM-UHFFFAOYSA-N -1 0 328.328 3.070 20 30 EGEDRM CC(C)c1nnc2n1CCN(C([O-])=Nc1nc3ccsc3s1)C2 ZINC000329592241 547502016 /nfs/dbraw/zinc/50/20/16/547502016.db2.gz ZDSLVLARTLYUOM-UHFFFAOYSA-N -1 0 348.457 3.134 20 30 EGEDRM CCCn1cc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)nn1 ZINC000678028849 549379705 /nfs/dbraw/zinc/37/97/05/549379705.db2.gz YDTSPZKSQDMEDE-ZDUSSCGKSA-N -1 0 337.408 3.302 20 30 EGEDRM Cc1cn2ccnc(C([O-])=C(C#N)c3ccc4ccccc4n3)c2n1 ZINC000683372483 550223079 /nfs/dbraw/zinc/22/30/79/550223079.db2.gz LLMQQPIDPCOUMQ-CQSZACIVSA-N -1 0 327.347 3.076 20 30 EGEDRM CC(=NNc1nc(C)cc(=O)[nH]1)c1ccc(Cl)c(Cl)c1[O-] ZINC000727650890 574681251 /nfs/dbraw/zinc/68/12/51/574681251.db2.gz WOERNLNCGMQVDM-UHFFFAOYSA-N -1 0 327.171 3.339 20 30 EGEDRM CCn1c(C)cc(C=Nn2c(=O)c3ccccc3[n-]c2=S)c1C ZINC000728225972 574731119 /nfs/dbraw/zinc/73/11/19/574731119.db2.gz BZNAJFXHVPUONT-UHFFFAOYSA-N -1 0 326.425 3.006 20 30 EGEDRM COc1cc(C#N)ccc1OCCOc1cc(C(=O)[O-])ccc1C ZINC000737844520 574987795 /nfs/dbraw/zinc/98/77/95/574987795.db2.gz NKOOBTGJRMIMEY-UHFFFAOYSA-N -1 0 327.336 3.031 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])c(/C=N\C[C@@H](O)c2c(F)cccc2Cl)c1 ZINC000741166165 574998458 /nfs/dbraw/zinc/99/84/58/574998458.db2.gz XLYQPDBVKRIZCH-ZMNVVMRHSA-N -1 0 338.722 3.245 20 30 EGEDRM COc1cc(C(=O)[O-])cc(NCc2ccc(C#N)cc2F)c1OC ZINC000737859445 575057658 /nfs/dbraw/zinc/05/76/58/575057658.db2.gz YBBQIFMVCWCFPI-UHFFFAOYSA-N -1 0 330.315 3.025 20 30 EGEDRM O=C([O-])CCOc1ccc(/C=C2\COc3ccc(F)cc3C2=O)cc1 ZINC000731564829 575080830 /nfs/dbraw/zinc/08/08/30/575080830.db2.gz APHNFVJATAWKKD-UKTHLTGXSA-N -1 0 342.322 3.338 20 30 EGEDRM COc1ccc(OC)c(C(=O)/C=C\c2cccc(OCC(=O)[O-])c2)c1 ZINC000733204852 575319754 /nfs/dbraw/zinc/31/97/54/575319754.db2.gz BUOXSWJWGSJUCZ-VURMDHGXSA-N -1 0 342.347 3.063 20 30 EGEDRM CN(C)c1ccc(C(=O)/C=C/c2cccc(OCC(=O)[O-])c2)cc1 ZINC000733206502 575320477 /nfs/dbraw/zinc/32/04/77/575320477.db2.gz MDOVSMCTSDBYDQ-IZZDOVSWSA-N -1 0 325.364 3.112 20 30 EGEDRM C#Cc1ccc(C(=O)OCc2c3ccccc3sc2C(=O)[O-])cn1 ZINC000736092572 575898311 /nfs/dbraw/zinc/89/83/11/575898311.db2.gz HVTIQQLTENURGF-UHFFFAOYSA-N -1 0 337.356 3.333 20 30 EGEDRM C=CCc1cc(C(=O)Nc2cc(C)[nH]c2C(=O)[O-])cc(OC)c1OC ZINC000736113909 575900259 /nfs/dbraw/zinc/90/02/59/575900259.db2.gz DNVQZYKYAQUBSH-UHFFFAOYSA-N -1 0 344.367 3.019 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@@H]1Cc2ccccc21 ZINC000736113872 575900262 /nfs/dbraw/zinc/90/02/62/575900262.db2.gz CLUVNFPUIGPSRF-MRXNPFEDSA-N -1 0 338.359 3.367 20 30 EGEDRM C=CCOc1ccccc1CNC(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000736114574 575900698 /nfs/dbraw/zinc/90/06/98/575900698.db2.gz XNUOABWHEFNMAK-UHFFFAOYSA-N -1 0 344.342 3.410 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@H](C)c1ccco1 ZINC000736114185 575900707 /nfs/dbraw/zinc/90/07/07/575900707.db2.gz JGXZCWRXQLPQMC-LLVKDONJSA-N -1 0 330.336 3.424 20 30 EGEDRM C[C@H](C#N)CSc1ccccc1NC(=O)CCCN(C)C(=O)[O-] ZINC000736202373 575914854 /nfs/dbraw/zinc/91/48/54/575914854.db2.gz MWACBDWBWDSCLV-GFCCVEGCSA-N -1 0 335.429 3.267 20 30 EGEDRM CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2ccc(C(=O)[O-])nc2)cc1 ZINC000736296699 575928956 /nfs/dbraw/zinc/92/89/56/575928956.db2.gz IJIMGEBVXYPVIU-INIZCTEOSA-N -1 0 337.379 3.072 20 30 EGEDRM C[C@H](COc1cccc(C#N)c1)OC(=O)c1cccc(NC(=O)[O-])c1 ZINC000736616532 575989558 /nfs/dbraw/zinc/98/95/58/575989558.db2.gz RQOQBUUKZDKTQE-GFCCVEGCSA-N -1 0 340.335 3.272 20 30 EGEDRM CC[C@](C)(NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)C(=O)[O-] ZINC000736860861 576050499 /nfs/dbraw/zinc/05/04/99/576050499.db2.gz BJYVKUVKPLCMBR-IBGZPJMESA-N -1 0 338.363 3.334 20 30 EGEDRM CCc1[nH]c(C(=O)N[C@H](C#N)c2ccc(Cl)cc2)c(C)c1C(=O)[O-] ZINC000737241346 576146604 /nfs/dbraw/zinc/14/66/04/576146604.db2.gz NKBXJYWQVCHFEA-CYBMUJFWSA-N -1 0 345.786 3.232 20 30 EGEDRM CCc1ccc(CCC(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000737260674 576150092 /nfs/dbraw/zinc/15/00/92/576150092.db2.gz WTTFXLVXUVVITL-IBGZPJMESA-N -1 0 337.375 3.422 20 30 EGEDRM COC(=O)[C@H](Nc1ccc(F)c(NC(=O)[O-])c1)c1ccc(C#N)cc1 ZINC000737575993 576249063 /nfs/dbraw/zinc/24/90/63/576249063.db2.gz DFZYDCFHISOLIN-OAHLLOKOSA-N -1 0 343.314 3.113 20 30 EGEDRM COC(=O)[C@@H](Nc1ccc(F)c(NC(=O)[O-])c1)c1ccc(C#N)cc1 ZINC000737575992 576249144 /nfs/dbraw/zinc/24/91/44/576249144.db2.gz DFZYDCFHISOLIN-HNNXBMFYSA-N -1 0 343.314 3.113 20 30 EGEDRM Cc1cc(C)cc(N(CCC#N)C(=O)CS[C@H](C)CC(=O)[O-])c1 ZINC000738223572 576301940 /nfs/dbraw/zinc/30/19/40/576301940.db2.gz XQLRZDKNYGEPIC-CQSZACIVSA-N -1 0 334.441 3.147 20 30 EGEDRM Cc1c(NC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)cccc1C(=O)[O-] ZINC000738300908 576311914 /nfs/dbraw/zinc/31/19/14/576311914.db2.gz XSIZYEXMUOAPQQ-GOSISDBHSA-N -1 0 349.390 3.172 20 30 EGEDRM N#Cc1c(F)cccc1Oc1ccc(C(=O)NCCCC(=O)[O-])cc1 ZINC000738424700 576323962 /nfs/dbraw/zinc/32/39/62/576323962.db2.gz AUHJHCBXCJMLRE-UHFFFAOYSA-N -1 0 342.326 3.084 20 30 EGEDRM N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NCCC(=O)[O-])c1 ZINC000738424903 576324025 /nfs/dbraw/zinc/32/40/25/576324025.db2.gz GQTJCTAQHJBOLW-UHFFFAOYSA-N -1 0 344.754 3.208 20 30 EGEDRM N#Cc1cccc(Oc2ccc(NC(=O)NCCCC(=O)[O-])cc2)c1 ZINC000738434028 576325739 /nfs/dbraw/zinc/32/57/39/576325739.db2.gz PFDCMLMQERVMSJ-UHFFFAOYSA-N -1 0 339.351 3.337 20 30 EGEDRM Cc1ccc(-c2csc(C(C#N)C(=O)[C@H]3C[C@H]3C(=O)[O-])n2)cc1 ZINC000738487680 576331037 /nfs/dbraw/zinc/33/10/37/576331037.db2.gz DHNAGGUNOVNCRI-YNEHKIRRSA-N -1 0 326.377 3.016 20 30 EGEDRM Cc1ccc(-c2csc(C(C#N)C(=O)CCCNC(=O)[O-])n2)cc1 ZINC000738487591 576331101 /nfs/dbraw/zinc/33/11/01/576331101.db2.gz BTYARFPHNXFPKW-CYBMUJFWSA-N -1 0 343.408 3.343 20 30 EGEDRM Cc1cccc2[nH]c([C@@H](C#N)C(=O)c3cccc(NC(=O)[O-])c3)nc21 ZINC000738747356 576358675 /nfs/dbraw/zinc/35/86/75/576358675.db2.gz UTFLTMSCPNFRDJ-ZDUSSCGKSA-N -1 0 334.335 3.451 20 30 EGEDRM Cc1ccccc1[C@H]1CN([C@H](C(=O)[O-])c2ccc(C#N)cc2)CCO1 ZINC000738769447 576360282 /nfs/dbraw/zinc/36/02/82/576360282.db2.gz PSWWQHOTVDJLLK-MOPGFXCFSA-N -1 0 336.391 3.066 20 30 EGEDRM Cn1c(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc2ccccc21 ZINC000739013124 576373988 /nfs/dbraw/zinc/37/39/88/576373988.db2.gz WANIKQZGNIKMIY-QGZVFWFLSA-N -1 0 334.331 3.033 20 30 EGEDRM N#Cc1cc(NC(=O)NCCc2ccc(NC(=O)[O-])cc2)ccc1F ZINC000739099278 576377847 /nfs/dbraw/zinc/37/78/47/576377847.db2.gz SDSMMDIJCPMCPV-UHFFFAOYSA-N -1 0 342.330 3.151 20 30 EGEDRM N#Cc1ccc(-c2ccc(OCc3noc(CCC(=O)[O-])n3)cc2)cc1 ZINC000739099243 576377865 /nfs/dbraw/zinc/37/78/65/576377865.db2.gz QWQORIOKNKUMFB-UHFFFAOYSA-N -1 0 349.346 3.204 20 30 EGEDRM N#Cc1ccc(NC[C@H](Cc2cccc3ccccc32)C(=O)[O-])nc1 ZINC000739121849 576379080 /nfs/dbraw/zinc/37/90/80/576379080.db2.gz WTLPNEZJRNPKAK-KRWDZBQOSA-N -1 0 331.375 3.462 20 30 EGEDRM N#Cc1ccc(OCCCOC(=O)c2cccc(NC(=O)[O-])c2)cc1 ZINC000739128998 576379200 /nfs/dbraw/zinc/37/92/00/576379200.db2.gz NRRMGPFAHMGMDQ-UHFFFAOYSA-N -1 0 340.335 3.274 20 30 EGEDRM N#Cc1ccccc1/C=C/C(=O)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC000739140640 576379555 /nfs/dbraw/zinc/37/95/55/576379555.db2.gz WKFLZWKENHJMIW-NCUBBLFSSA-N -1 0 334.375 3.294 20 30 EGEDRM N#Cc1nnc2ccccc2c1NCCc1ccc(NC(=O)[O-])cc1 ZINC000739145724 576379707 /nfs/dbraw/zinc/37/97/07/576379707.db2.gz UXMZFKAHRVKODX-UHFFFAOYSA-N -1 0 333.351 3.246 20 30 EGEDRM N#Cc1cnc2c(F)cc(F)cc2c1N1CCC(CC(=O)[O-])CC1 ZINC000739144965 576379766 /nfs/dbraw/zinc/37/97/66/576379766.db2.gz DZYGNWWWLMTEMG-UHFFFAOYSA-N -1 0 331.322 3.076 20 30 EGEDRM O=C([O-])C1CCN(C(=O)Nc2cccc(C#Cc3ccccc3)c2)CC1 ZINC000739593363 576433290 /nfs/dbraw/zinc/43/32/90/576433290.db2.gz YNIQYKLACPBLNV-UHFFFAOYSA-N -1 0 348.402 3.415 20 30 EGEDRM Fc1ccc2oc(C=Nn3c(=S)[n-]nc3C(F)(F)F)cc2c1 ZINC000741756821 576717584 /nfs/dbraw/zinc/71/75/84/576717584.db2.gz JQCBASKHVDRKAN-UHFFFAOYSA-N -1 0 330.266 3.353 20 30 EGEDRM O=C([O-])c1cc(NN=Cc2cnc3ccccc3n2)ccc1Cl ZINC000744755670 576833795 /nfs/dbraw/zinc/83/37/95/576833795.db2.gz HTIYDYFYCJWQOD-UHFFFAOYSA-N -1 0 326.743 3.427 20 30 EGEDRM COc1ccccc1/C=C\C(=O)c1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000745020861 576838695 /nfs/dbraw/zinc/83/86/95/576838695.db2.gz ISDNSBCOIFCCGG-BSYHEUMXSA-N -1 0 326.348 3.443 20 30 EGEDRM COc1c(O)cccc1/C=C\C(=O)c1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000745021119 576838708 /nfs/dbraw/zinc/83/87/08/576838708.db2.gz MJJBJZQDNUSNMW-ZWLSGLHFSA-N -1 0 342.347 3.149 20 30 EGEDRM N#Cc1ccccc1Sc1ccccc1C(=O)NCCCC(=O)[O-] ZINC000819111084 597282047 /nfs/dbraw/zinc/28/20/47/597282047.db2.gz KZSXTSFEGUMXSU-UHFFFAOYSA-N -1 0 340.404 3.304 20 30 EGEDRM C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC000820102489 597604582 /nfs/dbraw/zinc/60/45/82/597604582.db2.gz YDXJHDKNRVXGTG-RFAUZJTJSA-N -1 0 343.210 3.045 20 30 EGEDRM N#Cc1cc(Cl)c(C(=O)NCc2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC000821329716 598185979 /nfs/dbraw/zinc/18/59/79/598185979.db2.gz GIFKJIJDEBNNOJ-UHFFFAOYSA-N -1 0 349.173 3.493 20 30 EGEDRM C[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])c1ccc(Cl)cc1Cl ZINC000820114541 598222401 /nfs/dbraw/zinc/22/24/01/598222401.db2.gz PDPCPBKYAIVKFD-RTHLEPHNSA-N -1 0 329.183 3.175 20 30 EGEDRM Cc1ccccc1-c1csc(NC(=O)[C@](C)(C#N)CC(=O)[O-])n1 ZINC000821120169 598224036 /nfs/dbraw/zinc/22/40/36/598224036.db2.gz PRPBEWAUBAMMIF-INIZCTEOSA-N -1 0 329.381 3.062 20 30 EGEDRM Cc1cc(NC(=O)[C@](C)(C#N)CC(=O)[O-])ccc1Oc1cccnc1 ZINC000821008686 598225308 /nfs/dbraw/zinc/22/53/08/598225308.db2.gz JTRZBORKPDLKHL-SFHVURJKSA-N -1 0 339.351 3.125 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000819849151 598230936 /nfs/dbraw/zinc/23/09/36/598230936.db2.gz XUPPJXUZWFDTNS-GFCCVEGCSA-N -1 0 345.580 3.046 20 30 EGEDRM O=C(C=Cc1ccc(-c2nn[nH]n2)cc1F)c1cc(Cl)ccc1[O-] ZINC000822922500 607460108 /nfs/dbraw/zinc/46/01/08/607460108.db2.gz GPRJCJPUBPQCQO-HYXAFXHYSA-N -1 0 344.733 3.261 20 30 EGEDRM Cc1ccc(N2C(=O)N[C@H](c3ccc(C#N)o3)C(C(=O)[O-])=C2C)cc1 ZINC000828133868 600781522 /nfs/dbraw/zinc/78/15/22/600781522.db2.gz AUDYAGDICJQHGK-MRXNPFEDSA-N -1 0 337.335 3.089 20 30 EGEDRM C=CCOc1ccc(OCC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)cc1 ZINC000825698310 600808258 /nfs/dbraw/zinc/80/82/58/600808258.db2.gz CVDPHGCZJRDFCW-UHFFFAOYSA-N -1 0 329.352 3.156 20 30 EGEDRM CN(Cc1cnn(-c2ccccc2)c1)[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000830869641 600983869 /nfs/dbraw/zinc/98/38/69/600983869.db2.gz ATNKVKAVSZGHIU-IBGZPJMESA-N -1 0 346.390 3.002 20 30 EGEDRM C=CCOc1ccccc1C(=O)O[C@H](C(=O)[O-])c1ccccc1F ZINC000825702328 601099089 /nfs/dbraw/zinc/09/90/89/601099089.db2.gz KHFUOUXJRMFFMI-INIZCTEOSA-N -1 0 330.311 3.373 20 30 EGEDRM COc1cc(C#N)cc(Cl)c1OC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000831861283 601147329 /nfs/dbraw/zinc/14/73/29/601147329.db2.gz SWIWSFJQDLZGCO-GHMZBOCLSA-N -1 0 337.759 3.017 20 30 EGEDRM CC(C)c1csc([C@H](C#N)C(=O)c2cccc(OCC(=O)[O-])c2)n1 ZINC000827139203 601194408 /nfs/dbraw/zinc/19/44/08/601194408.db2.gz FZAQXMGYFACAAA-CYBMUJFWSA-N -1 0 344.392 3.220 20 30 EGEDRM C#CCOc1cccc([C@H](C)OC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c1 ZINC000825631252 601238869 /nfs/dbraw/zinc/23/88/69/601238869.db2.gz AAHTWFQKJJFYKF-CWRNSKLLSA-N -1 0 330.380 3.194 20 30 EGEDRM COc1cc(C(=O)[O-])cc(NCc2cc(C#N)ccc2F)c1OC ZINC000831914040 601251155 /nfs/dbraw/zinc/25/11/55/601251155.db2.gz YPGRYYVRNWEFKH-UHFFFAOYSA-N -1 0 330.315 3.025 20 30 EGEDRM Cc1ccc(NCC(=O)Nc2cc(Cl)ccc2C#N)cc1C(=O)[O-] ZINC000832951060 601301942 /nfs/dbraw/zinc/30/19/42/601301942.db2.gz BAEAJEXBCFBMLM-UHFFFAOYSA-N -1 0 343.770 3.269 20 30 EGEDRM N#CCCCOc1cccc(N[C@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000833066055 601302210 /nfs/dbraw/zinc/30/22/10/601302210.db2.gz UMIGENNAWJGUED-SFHVURJKSA-N -1 0 335.363 3.479 20 30 EGEDRM N#Cc1cccc([C@@H](Nc2ccc(OCC(F)F)cc2)C(=O)[O-])c1 ZINC000833075907 601307666 /nfs/dbraw/zinc/30/76/66/601307666.db2.gz OEBWUPPTISDBSM-MRXNPFEDSA-N -1 0 332.306 3.440 20 30 EGEDRM O=C([O-])c1ccc(/C=C/C(=O)c2ccc(Br)s2)[nH]1 ZINC000833312699 601330350 /nfs/dbraw/zinc/33/03/50/601330350.db2.gz UALZBHRAYYIPMH-DUXPYHPUSA-N -1 0 326.171 3.433 20 30 EGEDRM Cc1cccc(C)c1N=C1NC(=O)/C(=C\c2ccc(C(=O)[O-])[nH]2)S1 ZINC000832964669 601330713 /nfs/dbraw/zinc/33/07/13/601330713.db2.gz ONKZXJMTYGJVSR-MDWZMJQESA-N -1 0 341.392 3.221 20 30 EGEDRM Cc1cccc(OCCC(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000832972061 601344393 /nfs/dbraw/zinc/34/43/93/601344393.db2.gz HVOPBFKHPQDPBH-SFHVURJKSA-N -1 0 339.347 3.005 20 30 EGEDRM N#Cc1cccc([C@@H](OC(=O)C23CC4CC(CC(C4)C2)C3)C(=O)[O-])c1 ZINC000833074607 601345296 /nfs/dbraw/zinc/34/52/96/601345296.db2.gz BMZSWTOCGQDSLK-SJFHUFEGSA-N -1 0 339.391 3.444 20 30 EGEDRM C[C@@H](Cc1ccccc1F)C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000827592732 601353346 /nfs/dbraw/zinc/35/33/46/601353346.db2.gz TVSHVULZQKYLOF-YVEFUNNKSA-N -1 0 341.338 3.245 20 30 EGEDRM N#Cc1cccc([C@@H](OC(=O)c2cccc3cnccc32)C(=O)[O-])c1 ZINC000833075388 601355074 /nfs/dbraw/zinc/35/50/74/601355074.db2.gz AEGXNDOVHNILSK-QGZVFWFLSA-N -1 0 332.315 3.089 20 30 EGEDRM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000833064890 601427184 /nfs/dbraw/zinc/42/71/84/601427184.db2.gz OKRGFJBKMOYCLS-FJIDUMEYSA-N -1 0 340.423 3.176 20 30 EGEDRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)c1cc(C#N)cs1 ZINC000827049843 601536461 /nfs/dbraw/zinc/53/64/61/601536461.db2.gz ZWROZOMWXALHEP-UHFFFAOYSA-N -1 0 330.365 3.357 20 30 EGEDRM O=C([O-])c1ccc(/C=C2\Oc3cc(Br)ccc3C2=O)o1 ZINC000833311875 601613353 /nfs/dbraw/zinc/61/33/53/601613353.db2.gz DZFKIFZGCBLSIW-SDQBBNPISA-N -1 0 335.109 3.357 20 30 EGEDRM C[C@@H](CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)C(=O)[O-] ZINC000827486371 601617333 /nfs/dbraw/zinc/61/73/33/601617333.db2.gz NEMXYOJMQSYMGH-GUYCJALGSA-N -1 0 337.379 3.184 20 30 EGEDRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1c(F)cc(C#N)cc1F)c1ccccc1 ZINC000826038784 601683744 /nfs/dbraw/zinc/68/37/44/601683744.db2.gz HJCZRDCRUGOGBV-QLJPJBMISA-N -1 0 344.317 3.028 20 30 EGEDRM O=C([O-])c1cc(/C=C\C(=O)c2ccc(Br)s2)c[nH]1 ZINC000833297861 601791535 /nfs/dbraw/zinc/79/15/35/601791535.db2.gz KRAHAAJFHLXBAC-UPHRSURJSA-N -1 0 326.171 3.433 20 30 EGEDRM N#CCOc1cccc(NC(=O)N[C@H]2CCCCCC[C@@H]2C(=O)[O-])c1 ZINC000833067685 602033723 /nfs/dbraw/zinc/03/37/23/602033723.db2.gz HQOBFGLDODTZCJ-HOTGVXAUSA-N -1 0 345.399 3.134 20 30 EGEDRM COc1ccc(C#N)cc1NC(=O)N[C@@H]1CCCCCC[C@@H]1C(=O)[O-] ZINC000832152900 602036229 /nfs/dbraw/zinc/03/62/29/602036229.db2.gz PUBWEFSDAZQCPL-UONOGXRCSA-N -1 0 345.399 3.112 20 30 EGEDRM N#CCSc1ccccc1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000321981516 602073115 /nfs/dbraw/zinc/07/31/15/602073115.db2.gz CPGXFGTUTFDKMS-UHFFFAOYSA-N -1 0 326.377 3.182 20 30 EGEDRM Cc1cc(O)cc2c1C(=O)/C(=C/c1ccc(O[C@H](C)C(=O)[O-])cc1)O2 ZINC000832900017 602110054 /nfs/dbraw/zinc/11/00/54/602110054.db2.gz WYDCNCDFLGXTFY-OUZNOSRWSA-N -1 0 340.331 3.169 20 30 EGEDRM Cc1cc(O)cc2c1C(=O)/C(=C/c1ccc(O[C@@H](C)C(=O)[O-])cc1)O2 ZINC000832900008 602110082 /nfs/dbraw/zinc/11/00/82/602110082.db2.gz WYDCNCDFLGXTFY-FSKGUYTJSA-N -1 0 340.331 3.169 20 30 EGEDRM C=CCn1c(SCc2ccc(C(=O)[O-])o2)nnc1-c1ccccn1 ZINC000825710827 602242988 /nfs/dbraw/zinc/24/29/88/602242988.db2.gz COEFWQILMFNNBG-UHFFFAOYSA-N -1 0 342.380 3.110 20 30 EGEDRM N#Cc1ccc(-c2nnc(COc3ccc(NC(=O)[O-])cc3)o2)cc1 ZINC000831122485 603157263 /nfs/dbraw/zinc/15/72/63/603157263.db2.gz JCRWLUQEHKLLLC-UHFFFAOYSA-N -1 0 336.307 3.277 20 30 EGEDRM CC(C)(C(=O)[O-])[C@@H](NC(=O)c1cccc(CC#N)c1)c1ccccc1 ZINC000826102876 604382715 /nfs/dbraw/zinc/38/27/15/604382715.db2.gz KNZXPNCNHWKHLF-KRWDZBQOSA-N -1 0 336.391 3.335 20 30 EGEDRM Cc1c(C#N)cccc1NC(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC000832849354 604453592 /nfs/dbraw/zinc/45/35/92/604453592.db2.gz FGUSGHCAAAZWKF-UHFFFAOYSA-N -1 0 333.347 3.158 20 30 EGEDRM COc1ccc(C#N)cc1COC(=O)c1cccc(NC(=O)[O-])c1 ZINC000832153215 604596915 /nfs/dbraw/zinc/59/69/15/604596915.db2.gz WXJXYAFECWYOIC-UHFFFAOYSA-N -1 0 326.308 3.014 20 30 EGEDRM C[C@@H](OC(=O)C(C)(C)Oc1ccc(C#N)cc1)c1ccc(C(=O)[O-])o1 ZINC000827809977 604616181 /nfs/dbraw/zinc/61/61/81/604616181.db2.gz KBIIWZIXTCOHNN-LLVKDONJSA-N -1 0 343.335 3.311 20 30 EGEDRM CC(=NNC(=S)NCc1ccccc1)[C@H](C)CCCCC(=O)[O-] ZINC000814714580 604634903 /nfs/dbraw/zinc/63/49/03/604634903.db2.gz MYPMHQRMLXJTSC-CYBMUJFWSA-N -1 0 335.473 3.308 20 30 EGEDRM C=C[C@@H](CC(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21)c1ccccc1 ZINC000833371675 604679346 /nfs/dbraw/zinc/67/93/46/604679346.db2.gz UUSJTDFYARWVMI-KSSFIOAISA-N -1 0 337.375 3.225 20 30 EGEDRM C[C@@H](Oc1ccc(/C=C\C(=O)c2ccc(Cl)nc2)cc1)C(=O)[O-] ZINC000794703588 604743912 /nfs/dbraw/zinc/74/39/12/604743912.db2.gz TYSNZQUCNCHAIV-LAUIRUGDSA-N -1 0 331.755 3.483 20 30 EGEDRM C#CC[C@@H](NC(=O)N1CCc2ccc(C(=O)[O-])cc2C1)c1ccccc1 ZINC000833360972 604816872 /nfs/dbraw/zinc/81/68/72/604816872.db2.gz UIBSFMKCLICEMI-LJQANCHMSA-N -1 0 348.402 3.217 20 30 EGEDRM Cc1ccc2cc(C(=O)O[C@@H](C(=O)[O-])c3cccc(C#N)c3)ccc2n1 ZINC000832961978 604844303 /nfs/dbraw/zinc/84/43/03/604844303.db2.gz MFFLASLJRLPKKA-GOSISDBHSA-N -1 0 346.342 3.398 20 30 EGEDRM C#CCOc1ccc([C@H](C)OC(=O)c2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000825631638 604883177 /nfs/dbraw/zinc/88/31/77/604883177.db2.gz HDCJROGWUCDDQS-LBPRGKRZSA-N -1 0 342.322 3.454 20 30 EGEDRM C=CCN(C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F)C1CC1 ZINC000833374978 604918754 /nfs/dbraw/zinc/91/87/54/604918754.db2.gz PTSDVLKCLCTCKA-UHFFFAOYSA-N -1 0 326.299 3.169 20 30 EGEDRM C=CCC[C@@H](NC(=O)[C@H](C)NC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000833373046 604980141 /nfs/dbraw/zinc/98/01/41/604980141.db2.gz DNESQHHIIHIHKB-GXFFZTMASA-N -1 0 344.333 3.485 20 30 EGEDRM C=CCN(C(C)C)S(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC000315695650 605018519 /nfs/dbraw/zinc/01/85/19/605018519.db2.gz OCMLRPCYFTVWPT-UHFFFAOYSA-N -1 0 339.438 3.185 20 30 EGEDRM CC(C)(C)c1cc(NC(=O)CCSCC(=O)[O-])c(C#N)s1 ZINC000833450580 605026268 /nfs/dbraw/zinc/02/62/68/605026268.db2.gz WCAHPBAUSZSJCO-UHFFFAOYSA-N -1 0 326.443 3.064 20 30 EGEDRM C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C(=O)[O-])C1CC1 ZINC000833379821 605072276 /nfs/dbraw/zinc/07/22/76/605072276.db2.gz MTTRCFKNBADDCQ-OAHLLOKOSA-N -1 0 329.425 3.010 20 30 EGEDRM CC(C)(C#N)c1ccccc1COC(=O)C1CCC(C(=O)[O-])CC1 ZINC000833412897 605075321 /nfs/dbraw/zinc/07/53/21/605075321.db2.gz GSJGMEHGPYUXST-UHFFFAOYSA-N -1 0 329.396 3.422 20 30 EGEDRM CC(N=Nc1ccccc1C(=O)[O-])c1ccc2c(c1)CCC(=O)N2C ZINC000754713149 605097549 /nfs/dbraw/zinc/09/75/49/605097549.db2.gz CVSNOEQKTAQFEU-UHFFFAOYSA-N -1 0 337.379 3.130 20 30 EGEDRM C[C@H](Oc1ccc(/C=C\C(=O)c2ccnc(Cl)c2)cc1)C(=O)[O-] ZINC000794709496 605145466 /nfs/dbraw/zinc/14/54/66/605145466.db2.gz BQQOMXDWBDAUGT-IBHLPDHGSA-N -1 0 331.755 3.483 20 30 EGEDRM C[C@H](C(=O)[O-])[C@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)c1ccccc1 ZINC000833411203 605215251 /nfs/dbraw/zinc/21/52/51/605215251.db2.gz NFAPILZTVZEYST-KSSFIOAISA-N -1 0 348.402 3.434 20 30 EGEDRM CC(C)CN(C(=O)Cc1ccccc1C(=O)[O-])c1ccc(C#N)cc1 ZINC000833485203 605239627 /nfs/dbraw/zinc/23/96/27/605239627.db2.gz GLHABXHBYNIJCJ-UHFFFAOYSA-N -1 0 336.391 3.488 20 30 EGEDRM N#CCCN(C(=O)Cc1ccccc1C(=O)[O-])c1ccc(F)cc1 ZINC000833760387 605247734 /nfs/dbraw/zinc/24/77/34/605247734.db2.gz OXHITCPTGJAWES-UHFFFAOYSA-N -1 0 326.327 3.013 20 30 EGEDRM C=CCOc1cccnc1C(=O)Nc1ccc(NC(=O)[O-])c(F)c1 ZINC000833378809 605304257 /nfs/dbraw/zinc/30/42/57/605304257.db2.gz OATGVSYWKFLGHU-UHFFFAOYSA-N -1 0 331.303 3.128 20 30 EGEDRM N#CCCCNc1cc(C(=O)[O-])nc2ccc(Br)cc21 ZINC000833760514 605380106 /nfs/dbraw/zinc/38/01/06/605380106.db2.gz XAUGBBPNKHKDQZ-UHFFFAOYSA-N -1 0 334.173 3.411 20 30 EGEDRM C#CCCCCCC(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1 ZINC000833361706 605580220 /nfs/dbraw/zinc/58/02/20/605580220.db2.gz IAZYTNXMJQNNBP-UHFFFAOYSA-N -1 0 331.397 3.359 20 30 EGEDRM CC(C)(C(=O)[O-])c1ccc(NC(=O)N2CCC(C)(C#N)CC2)cc1 ZINC000833552025 605713394 /nfs/dbraw/zinc/71/33/94/605713394.db2.gz YLNLTKALXNTVPG-UHFFFAOYSA-N -1 0 329.400 3.206 20 30 EGEDRM COc1cccc(/C=C/C(=O)c2cccc(OCC(=O)[O-])c2)c1OC ZINC000008322886 1291102534 /nfs/dbraw/zinc/10/25/34/1291102534.db2.gz VJBJBWPAJYABED-MDZDMXLPSA-N -1 0 342.347 3.063 20 30 EGEDRM Cc1cc(C)c(NC(=O)C/N=C/c2cc([N+](=O)[O-])ccc2[O-])c(C)c1 ZINC000035370200 1291392723 /nfs/dbraw/zinc/39/27/23/1291392723.db2.gz PZUKUGZPWMNEKE-DJKKODMXSA-N -1 0 341.367 3.283 20 30 EGEDRM O=C([N-]S(=O)(=O)c1cccs1)c1ccc(-n2cccc2)cc1 ZINC000042243422 1291437157 /nfs/dbraw/zinc/43/71/57/1291437157.db2.gz ZJTQAWSPAMBIOY-UHFFFAOYSA-N -1 0 332.406 3.232 20 30 EGEDRM COc1ccc(CC(=O)[N-]S(=O)(=O)c2ccc(C)cc2)cc1F ZINC000042235362 1291437199 /nfs/dbraw/zinc/43/71/99/1291437199.db2.gz AAFDHEXPOAVDPZ-UHFFFAOYSA-N -1 0 337.372 3.031 20 30 EGEDRM COc1cccc(CCC(=O)[N-]S(=O)(=O)c2cccs2)c1 ZINC000042243506 1291437419 /nfs/dbraw/zinc/43/74/19/1291437419.db2.gz IRBCQHSFGQODHT-UHFFFAOYSA-N -1 0 325.411 3.035 20 30 EGEDRM CC(C)=C[C@H]1[C@@H](C(=O)[N-]S(=O)(=O)c2c(C)noc2C)C1(C)C ZINC000042290805 1291438997 /nfs/dbraw/zinc/43/89/97/1291438997.db2.gz MPQJPUCUIDHPTG-RYUDHWBXSA-N -1 0 326.418 3.175 20 30 EGEDRM O=C(CCSc1ccc(F)cc1)[N-]S(=O)(=O)c1cccnc1 ZINC000042323532 1291440517 /nfs/dbraw/zinc/44/05/17/1291440517.db2.gz LNEFTLJMJRXHQF-UHFFFAOYSA-N -1 0 340.401 3.048 20 30 EGEDRM C[C@@H](Oc1ccccc1)C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000046708888 1291552015 /nfs/dbraw/zinc/55/20/15/1291552015.db2.gz HOSPGNVXKHBNAU-LLVKDONJSA-N -1 0 339.800 3.453 20 30 EGEDRM O=C([N-]S(=O)(=O)c1ccc(Cl)s1)c1cc(F)cc(F)c1 ZINC000046928854 1291557621 /nfs/dbraw/zinc/55/76/21/1291557621.db2.gz SVUMYKUVKPQKPV-UHFFFAOYSA-N -1 0 337.756 3.373 20 30 EGEDRM CS[C@@H](C)C(=O)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000048409303 1291603168 /nfs/dbraw/zinc/60/31/68/1291603168.db2.gz YITKFENSQKLYPT-LURJTMIESA-N -1 0 328.242 3.390 20 30 EGEDRM CC[C@@H](C(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000048418546 1291604389 /nfs/dbraw/zinc/60/43/89/1291604389.db2.gz JNLYOQJJLSDJMZ-OAHLLOKOSA-N -1 0 348.380 3.434 20 30 EGEDRM CS(=O)(=O)[N-]C(=O)c1ccccc1SCc1ccc(C#N)cc1 ZINC000048479222 1291606483 /nfs/dbraw/zinc/60/64/83/1291606483.db2.gz LYMIQJIIEYFEKK-UHFFFAOYSA-N -1 0 346.433 3.115 20 30 EGEDRM CS(=O)(=O)[N-]C(=O)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000048480591 1291606732 /nfs/dbraw/zinc/60/67/32/1291606732.db2.gz DBNMWVNFPKBGIR-QWRGUYRKSA-N -1 0 336.438 3.262 20 30 EGEDRM CSc1ccc(C)c(C(=O)[N-]S(=O)(=O)c2cccs2)c1 ZINC000048499620 1291607642 /nfs/dbraw/zinc/60/76/42/1291607642.db2.gz TXQCBHFNHBCQKX-UHFFFAOYSA-N -1 0 327.452 3.472 20 30 EGEDRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)CCc1ccc(Cl)s1 ZINC000048491612 1291607835 /nfs/dbraw/zinc/60/78/35/1291607835.db2.gz OCOSEBIZNJEGQI-UHFFFAOYSA-N -1 0 348.833 3.284 20 30 EGEDRM CCCCS(=O)(=O)[N-]C(=O)COc1ccc(Cl)c(Cl)c1 ZINC000048518617 1291609089 /nfs/dbraw/zinc/60/90/89/1291609089.db2.gz KRCQVBCFFYJRRI-UHFFFAOYSA-N -1 0 340.228 3.459 20 30 EGEDRM C=CCOc1ccccc1C(=O)[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC000048569030 1291611198 /nfs/dbraw/zinc/61/11/98/1291611198.db2.gz UHYLPJHCPJGODI-UHFFFAOYSA-N -1 0 349.383 3.225 20 30 EGEDRM O=C([N-]S(=O)(=O)c1ccccc1F)c1ccccc1OC(F)F ZINC000048588902 1291612478 /nfs/dbraw/zinc/61/24/78/1291612478.db2.gz LGQZUEINQDILSZ-UHFFFAOYSA-N -1 0 345.298 3.121 20 30 EGEDRM COc1cccc(S(=O)(=O)[N-]C(=O)C2(c3ccccc3)CC2)c1 ZINC000058186884 1291882660 /nfs/dbraw/zinc/88/26/60/1291882660.db2.gz QZZQUCSNSTUAFJ-UHFFFAOYSA-N -1 0 331.393 3.072 20 30 EGEDRM O=C([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)s1 ZINC000060494728 1291926044 /nfs/dbraw/zinc/92/60/44/1291926044.db2.gz WIAHXUCINCWTAD-UHFFFAOYSA-N -1 0 346.773 3.003 20 30 EGEDRM Cc1ccc(C#N)cc1NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000064070636 1292041138 /nfs/dbraw/zinc/04/11/38/1292041138.db2.gz ANHDBALUZSFZNQ-UHFFFAOYSA-N -1 0 336.376 3.430 20 30 EGEDRM O=C(CC(C1CC1)C1CC1)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000065041757 1292071119 /nfs/dbraw/zinc/07/11/19/1292071119.db2.gz ZYZOUEVOCODVRV-UHFFFAOYSA-N -1 0 338.385 3.066 20 30 EGEDRM Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C\c1csc([N+](=O)[O-])c1)CC2 ZINC000066407792 1292115796 /nfs/dbraw/zinc/11/57/96/1292115796.db2.gz UBOJIHBTSHDGEZ-WTKPLQERSA-N -1 0 333.321 3.468 20 30 EGEDRM COc1cccc2cc(C(=O)[N-]S(=O)(=O)c3cccs3)oc21 ZINC000069524727 1292244297 /nfs/dbraw/zinc/24/42/97/1292244297.db2.gz QLLPRMHKMUJMCA-UHFFFAOYSA-N -1 0 337.378 3.196 20 30 EGEDRM O=C([O-])CCOc1ccc(/C=C2\CCc3cc(O)ccc3C2=O)cc1 ZINC000072079818 1292275065 /nfs/dbraw/zinc/27/50/65/1292275065.db2.gz QMZUOARJUQVHDJ-RVDMUPIBSA-N -1 0 338.359 3.458 20 30 EGEDRM CCCCC[C@H](C)CC(=O)[N-]S(=O)(=O)c1c(C)nn(C)c1C ZINC000076761329 1292441792 /nfs/dbraw/zinc/44/17/92/1292441792.db2.gz BOZINIQEMRGFCY-NSHDSACASA-N -1 0 329.466 3.289 20 30 EGEDRM CCCCS(=O)(=O)[N-]C(=O)c1ccc(F)c(Br)c1 ZINC000076761774 1292441866 /nfs/dbraw/zinc/44/18/66/1292441866.db2.gz JMQQUANQNFXPPD-UHFFFAOYSA-N -1 0 338.198 3.023 20 30 EGEDRM COc1ccc(S(=O)(=O)[N-]C(=O)c2oc(C)cc2C)c(C)c1C ZINC000079154273 1292544011 /nfs/dbraw/zinc/54/40/11/1292544011.db2.gz DTTUSZIRVUDLMW-UHFFFAOYSA-N -1 0 337.397 3.215 20 30 EGEDRM CCCCS(=O)(=O)[N-]C(=O)c1ccc(C)c(Br)c1 ZINC000080251664 1292591593 /nfs/dbraw/zinc/59/15/93/1292591593.db2.gz NTOMIOOKVKLHKA-UHFFFAOYSA-N -1 0 334.235 3.192 20 30 EGEDRM COc1csc(C(=O)[N-]S(=O)(=O)c2cccc(Cl)c2)c1 ZINC000080251089 1292591767 /nfs/dbraw/zinc/59/17/67/1292591767.db2.gz QGDUGGCHGJXAKH-UHFFFAOYSA-N -1 0 331.802 3.104 20 30 EGEDRM CC(C)c1csc(C(C#N)=C([O-])[C@H]2Cc3ccccc3C(=O)O2)n1 ZINC000080453981 1292603989 /nfs/dbraw/zinc/60/39/89/1292603989.db2.gz ADSOFFWXYIJVPF-UKRRQHHQSA-N -1 0 340.404 3.224 20 30 EGEDRM O=C([N-]S(=O)(=O)C[C@@H]1CCCCO1)c1cccc(-c2ccoc2)c1 ZINC000089968258 1292782561 /nfs/dbraw/zinc/78/25/61/1292782561.db2.gz CHBATTWPZJGVTD-INIZCTEOSA-N -1 0 349.408 3.150 20 30 EGEDRM Cn1cc(C(=O)[N-]S(=O)(=O)C=Cc2ccccc2)c(C(C)(C)C)n1 ZINC000092313832 1292863150 /nfs/dbraw/zinc/86/31/50/1292863150.db2.gz CNCVQQBDWOTEGK-ZHACJKMWSA-N -1 0 347.440 3.023 20 30 EGEDRM C#Cc1cccc(N(C)C(=O)c2ccc(Br)cc2[O-])c1 ZINC000094106395 1292942525 /nfs/dbraw/zinc/94/25/25/1292942525.db2.gz GJHNXKKADWBVAZ-UHFFFAOYSA-N -1 0 330.181 3.413 20 30 EGEDRM CCCCCCCC(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000107023632 1293058015 /nfs/dbraw/zinc/05/80/15/1293058015.db2.gz ZENWEKBMMLWLKQ-UHFFFAOYSA-N -1 0 342.848 3.377 20 30 EGEDRM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(SC)o1 ZINC000112484024 1293128376 /nfs/dbraw/zinc/12/83/76/1293128376.db2.gz OMIYVGDPUIYLQF-LLVKDONJSA-N -1 0 344.392 3.361 20 30 EGEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1nc(-c2ccco2)cs1 ZINC000114850063 1293179013 /nfs/dbraw/zinc/17/90/13/1293179013.db2.gz OPXLWVIZENAGNC-UHFFFAOYSA-N -1 0 345.405 3.384 20 30 EGEDRM Cc1ccc(C([O-])=C(C#N)C(=O)NC(C)C)cc1Oc1ccncc1 ZINC000115905019 1293196638 /nfs/dbraw/zinc/19/66/38/1293196638.db2.gz NWEAGYSWDLHYGX-INIZCTEOSA-N -1 0 337.379 3.029 20 30 EGEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1cc2cccnc2s1 ZINC000835062701 1293196826 /nfs/dbraw/zinc/19/68/26/1293196826.db2.gz WMWVVUKYFLVMTD-ZDUSSCGKSA-N -1 0 327.409 3.068 20 30 EGEDRM Cc1ccc(C([O-])=C(C#N)C(=O)NCc2ccccc2)c2c1CCC2 ZINC000835061929 1293197117 /nfs/dbraw/zinc/19/71/17/1293197117.db2.gz PUGVNPODVHSRFE-LJQANCHMSA-N -1 0 332.403 3.123 20 30 EGEDRM C=CCC1(C(=O)[N-]S(=O)(=O)c2cc(C)c(C)s2)CCCC1 ZINC000835272462 1293248917 /nfs/dbraw/zinc/24/89/17/1293248917.db2.gz QTLSGYODFPQDSG-UHFFFAOYSA-N -1 0 327.471 3.306 20 30 EGEDRM C=CCC1(C(=O)[N-]S(=O)(=O)Cc2cccc(Cl)c2)CCCC1 ZINC000835395310 1293282483 /nfs/dbraw/zinc/28/24/83/1293282483.db2.gz ZKJQJGIIGKRWQA-UHFFFAOYSA-N -1 0 341.860 3.423 20 30 EGEDRM Cc1cccc(/C=C/C(=O)c2ccc([O-])c(CN3CCOCC3)c2)c1 ZINC000119819764 1293290065 /nfs/dbraw/zinc/29/00/65/1293290065.db2.gz VUCXFUZVRNXWRC-FNORWQNLSA-N -1 0 337.419 3.429 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@H]2CCC[C@H]2c2ccccc2)CC1 ZINC000835449630 1293293831 /nfs/dbraw/zinc/29/38/31/1293293831.db2.gz QFHXJPQSILTXQK-HOTGVXAUSA-N -1 0 333.453 3.125 20 30 EGEDRM Cc1ccc(-c2nc(C([O-])=C(C#N)C(=O)NC3CCCC3)cs2)o1 ZINC000119912937 1293294192 /nfs/dbraw/zinc/29/41/92/1293294192.db2.gz DNCOTHCZDSYAMV-LBPRGKRZSA-N -1 0 343.408 3.093 20 30 EGEDRM CC(C)CC1(C(=O)[N-]S(=O)(=O)Cc2cccc(C#N)c2)CCCC1 ZINC000120865383 1293342606 /nfs/dbraw/zinc/34/26/06/1293342606.db2.gz GHTHRXADBUAGRE-UHFFFAOYSA-N -1 0 348.468 3.111 20 30 EGEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)CSc1ccc2ccccc2c1 ZINC000122575077 1293417430 /nfs/dbraw/zinc/41/74/30/1293417430.db2.gz FUMWQEXNSZGKBX-INIZCTEOSA-N -1 0 349.415 3.257 20 30 EGEDRM C[C@@H](C(=O)C(C#N)=C([O-])c1nccn1C)c1ccc2ccccc2c1 ZINC000123129538 1293434360 /nfs/dbraw/zinc/43/43/60/1293434360.db2.gz JYEHMGYFZIWOTE-CXAGYDPISA-N -1 0 331.375 3.269 20 30 EGEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1cccc(Oc2ccccc2)c1 ZINC000123316865 1293441104 /nfs/dbraw/zinc/44/11/04/1293441104.db2.gz RASPFARJOPOOMU-KRWDZBQOSA-N -1 0 345.358 3.418 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cc(Cl)c(Cl)n1C ZINC000125668607 1293514190 /nfs/dbraw/zinc/51/41/90/1293514190.db2.gz JCOSOLOVAXGKFU-SNVBAGLBSA-N -1 0 344.242 3.351 20 30 EGEDRM COc1ccc(C([O-])=C(C#N)C(=O)N2CCCC2)cc1-c1ccccc1 ZINC000127635621 1293569668 /nfs/dbraw/zinc/56/96/68/1293569668.db2.gz FHHKHBUIRLOQGG-SFHVURJKSA-N -1 0 348.402 3.307 20 30 EGEDRM C=CCNc1ncc(C(=O)Nc2ccc3[n-]c(=S)oc3c2)s1 ZINC000131899733 1293703553 /nfs/dbraw/zinc/70/35/53/1293703553.db2.gz OZBXTPMSGBZGOC-UHFFFAOYSA-N -1 0 332.410 3.423 20 30 EGEDRM C#CC[C@@H](C)OC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000132735269 1293727487 /nfs/dbraw/zinc/72/74/87/1293727487.db2.gz SHBNFKGWXDQPJT-GFCCVEGCSA-N -1 0 349.433 3.118 20 30 EGEDRM C=C[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC000135958173 1293805483 /nfs/dbraw/zinc/80/54/83/1293805483.db2.gz GDDSRDLJNCZBHQ-HNNXBMFYSA-N -1 0 329.421 3.160 20 30 EGEDRM Cc1ccc(/C=C/C(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000136500997 1293816908 /nfs/dbraw/zinc/81/69/08/1293816908.db2.gz YREAEYFSDRVIOQ-GQCTYLIASA-N -1 0 328.280 3.413 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)Cc2cc(Br)ccc2F)c1 ZINC000157203605 1294171075 /nfs/dbraw/zinc/17/10/75/1294171075.db2.gz IPJGUUYGVBCVPH-UHFFFAOYSA-N -1 0 349.159 3.347 20 30 EGEDRM Cc1ccc([N+](=O)[O-])cc1C(=O)/C=C/c1cc([O-])ccc1[N+](=O)[O-] ZINC000157314824 1294174595 /nfs/dbraw/zinc/17/45/95/1294174595.db2.gz MMGXZBFQRLARLR-XVNBXDOJSA-N -1 0 328.280 3.413 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(SCC)nc1 ZINC000171034888 1294391289 /nfs/dbraw/zinc/39/12/89/1294391289.db2.gz IOHICCGYNWXISR-AWEZNQCLSA-N -1 0 333.457 3.213 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)Cc2ccc(F)c(Br)c2)c1 ZINC000176815962 1294634700 /nfs/dbraw/zinc/63/47/00/1294634700.db2.gz LAEXNPXKHIEISG-UHFFFAOYSA-N -1 0 349.159 3.347 20 30 EGEDRM COc1cc(C(=O)Nc2cc(C#N)ccc2[O-])ccc1OC(F)F ZINC000176828855 1294635960 /nfs/dbraw/zinc/63/59/60/1294635960.db2.gz UVVAZNZOPHZDBA-UHFFFAOYSA-N -1 0 334.278 3.126 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2cnc(-c3cccs3)s2)C(=O)O1 ZINC000177609423 1294682127 /nfs/dbraw/zinc/68/21/27/1294682127.db2.gz SBZAGNZPEIEMIL-ISZGNANSSA-N -1 0 345.401 3.100 20 30 EGEDRM CC(=CC(=O)C(C#N)=C([O-])c1nccn1C)c1ccccc1Cl ZINC000178475070 1294736764 /nfs/dbraw/zinc/73/67/64/1294736764.db2.gz RDXLNLOSNFPNGK-YGNAEDSMSA-N -1 0 327.771 3.069 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)C2(c3cccc(F)c3)CCOCC2)c1 ZINC000179738612 1294820913 /nfs/dbraw/zinc/82/09/13/1294820913.db2.gz VKGPSXCTOUEKTQ-UHFFFAOYSA-N -1 0 340.354 3.090 20 30 EGEDRM CCCCN(CC)c1ccc(C([O-])=C(C#N)C(=O)NC(C)C)cc1 ZINC000179982285 1294847818 /nfs/dbraw/zinc/84/78/18/1294847818.db2.gz KPRNOFNCMRYXKN-KRWDZBQOSA-N -1 0 329.444 3.160 20 30 EGEDRM O=C1c2ccc(F)cc2OCC/C1=C/c1ccc([N+](=O)[O-])c([O-])c1 ZINC000180456928 1294890840 /nfs/dbraw/zinc/89/08/40/1294890840.db2.gz CPXNBDZCEUEMPE-XFFZJAGNSA-N -1 0 329.283 3.488 20 30 EGEDRM COc1ccc(S(=O)(=O)[N-]c2ccccc2O[C@H](C)C#N)c(C)c1 ZINC000183125501 1295100309 /nfs/dbraw/zinc/10/03/09/1295100309.db2.gz CMAIPRFFCYRNNR-CYBMUJFWSA-N -1 0 346.408 3.095 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2O[C@H](C)C#N)cc1C ZINC000183136909 1295101499 /nfs/dbraw/zinc/10/14/99/1295101499.db2.gz DZXNWRAKBRSSCD-CQSZACIVSA-N -1 0 330.409 3.395 20 30 EGEDRM C=CCn1c(=O)c2ccc(C(=O)N[C@@H](C)[C@@H](C)CC)cc2[n-]c1=S ZINC000194675184 1295998881 /nfs/dbraw/zinc/99/88/81/1295998881.db2.gz LOXXPXIWKXEBQX-RYUDHWBXSA-N -1 0 345.468 3.036 20 30 EGEDRM O=C(/C=C\c1cc(O)ccc1Br)c1ccc(O)cc1[O-] ZINC000254925549 1296480129 /nfs/dbraw/zinc/48/01/29/1296480129.db2.gz QEBSTBZXLQANNK-BHQIHCQQSA-N -1 0 335.153 3.462 20 30 EGEDRM O=C(/C=C\c1ccc(N2CCOCC2)cc1)c1cc(F)ccc1[O-] ZINC000254958277 1296482971 /nfs/dbraw/zinc/48/29/71/1296482971.db2.gz SDKQHCZLQOUNTE-CLTKARDFSA-N -1 0 327.355 3.264 20 30 EGEDRM O=C(/C=C\c1ccccc1F)c1ccc([O-])c(CN2CCOCC2)c1 ZINC000255043962 1296491040 /nfs/dbraw/zinc/49/10/40/1296491040.db2.gz DXZSMFTYBXVVNO-ALCCZGGFSA-N -1 0 341.382 3.260 20 30 EGEDRM COc1ccc2c(c1)C(=O)/C(=C/c1cc([O-])ccc1[N+](=O)[O-])CCO2 ZINC000255069942 1296494849 /nfs/dbraw/zinc/49/48/49/1296494849.db2.gz LEEFVABXJGLGJF-DHZHZOJOSA-N -1 0 341.319 3.358 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2csc(-c3cccs3)n2)C(=O)O1 ZINC000255312127 1296518679 /nfs/dbraw/zinc/51/86/79/1296518679.db2.gz GALLPATXMWTODS-ZRUQZJFASA-N -1 0 345.401 3.100 20 30 EGEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N\C[C@H](O)C2CCCCC2)c1[O-] ZINC000255338713 1296521254 /nfs/dbraw/zinc/52/12/54/1296521254.db2.gz YBYHGVSGUUXUPJ-RHUPODBASA-N -1 0 326.780 3.314 20 30 EGEDRM C=CCC[C@H](NC(=O)[C@H](C)c1ccc(Br)s1)C(=O)[O-] ZINC000263018204 1296656526 /nfs/dbraw/zinc/65/65/26/1296656526.db2.gz XWBRHDFXVMUULZ-BDAKNGLRSA-N -1 0 346.246 3.150 20 30 EGEDRM C=CCC(CC=C)C(=O)N[C@](C)(CC(=O)[O-])c1cccc(OC)c1 ZINC000263273746 1296673623 /nfs/dbraw/zinc/67/36/23/1296673623.db2.gz XTLCOCBOVVTRHV-LJQANCHMSA-N -1 0 331.412 3.270 20 30 EGEDRM C=CCOc1ccc(/C=C/C(=O)N[C@](C)(CCC)C(=O)[O-])cc1OC ZINC000746373298 1298578000 /nfs/dbraw/zinc/57/80/00/1298578000.db2.gz YOBDRMHZMABLBS-LHUXKHBRSA-N -1 0 347.411 3.033 20 30 EGEDRM CC(N=Nc1oc(C(C)(C)C)nc1C#N)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000749608235 1299246440 /nfs/dbraw/zinc/24/64/40/1299246440.db2.gz KECFCXVHZUJPJV-UHFFFAOYSA-N -1 0 343.343 3.294 20 30 EGEDRM C[C@@H](Oc1cccc(/C=C2\Oc3ccc(F)cc3C2=O)c1)C(=O)[O-] ZINC000749746987 1299263041 /nfs/dbraw/zinc/26/30/41/1299263041.db2.gz PYDLODVPSDYXRG-NUEDXCKTSA-N -1 0 328.295 3.294 20 30 EGEDRM [O-]c1c(F)cc(C=NN2C(=S)N=NC2c2cccs2)cc1F ZINC000749854184 1299287406 /nfs/dbraw/zinc/28/74/06/1299287406.db2.gz HDEKAXLZNSIJHU-UHFFFAOYSA-N -1 0 338.364 3.161 20 30 EGEDRM C=CCn1c(C)cc(C([O-])=CS(=O)(=O)c2cccc(F)c2)c1C ZINC000752251185 1299715154 /nfs/dbraw/zinc/71/51/54/1299715154.db2.gz NTCZSCAOEYFCPA-UHFFFAOYSA-N -1 0 335.400 3.087 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1NN=Cc1cccc(OC(F)F)c1 ZINC000756898863 1300586253 /nfs/dbraw/zinc/58/62/53/1300586253.db2.gz DYQDPPJCRZLRRA-UHFFFAOYSA-N -1 0 336.294 3.441 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1N=NCc1ccc(OC(F)F)cc1 ZINC000756906238 1300587422 /nfs/dbraw/zinc/58/74/22/1300587422.db2.gz WGIKZWGIFAVRRP-UHFFFAOYSA-N -1 0 336.294 3.441 20 30 EGEDRM CS(=O)(=O)c1ccc(/C=C\C(=O)c2cc(Cl)ccc2[O-])cc1 ZINC000757468634 1300673985 /nfs/dbraw/zinc/67/39/85/1300673985.db2.gz UADMRGXYWRQZIS-YWEYNIOJSA-N -1 0 336.796 3.345 20 30 EGEDRM CC(=NNc1nc2cc(F)c(F)cc2[nH]1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000758097942 1300784908 /nfs/dbraw/zinc/78/49/08/1300784908.db2.gz JFQCPZUWKKDUNX-UHFFFAOYSA-N -1 0 347.281 3.291 20 30 EGEDRM COc1ccc(C(=O)/C=C/c2nc(Cl)cs2)cc1CC(=O)[O-] ZINC000759075791 1301010094 /nfs/dbraw/zinc/01/00/94/1301010094.db2.gz OBNLJKBPOHKSOI-HWKANZROSA-N -1 0 337.784 3.328 20 30 EGEDRM C#CCCCCNC(=O)c1nn(-c2ccc(C(C)C)cc2)cc1[O-] ZINC000759094384 1301014017 /nfs/dbraw/zinc/01/40/17/1301014017.db2.gz OYITVUNWNLXKSE-UHFFFAOYSA-N -1 0 325.412 3.235 20 30 EGEDRM CCCC=CC(=O)C(C#N)=C([O-])c1c(C)[nH]c(C)c1C(=O)OCC ZINC000759235193 1301046120 /nfs/dbraw/zinc/04/61/20/1301046120.db2.gz AFFLGODUBDYBQR-MMQHEFTJSA-N -1 0 330.384 3.056 20 30 EGEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)C[C@@H]1C=CCC1 ZINC000759233879 1301046277 /nfs/dbraw/zinc/04/62/77/1301046277.db2.gz BXEHUOUVYHIAJF-ZIAGYGMSSA-N -1 0 342.395 3.056 20 30 EGEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)C1(C)CCCC1 ZINC000759234862 1301046442 /nfs/dbraw/zinc/04/64/42/1301046442.db2.gz BSWUZRDDGJFTFT-CYBMUJFWSA-N -1 0 344.411 3.280 20 30 EGEDRM CCCC=CC(=O)C(C#N)=C([O-])c1c(C)[nH]c(C)c1C(=O)OCC ZINC000759235194 1301047000 /nfs/dbraw/zinc/04/70/00/1301047000.db2.gz AFFLGODUBDYBQR-XEHSLEBBSA-N -1 0 330.384 3.056 20 30 EGEDRM COc1cccc2c1C/C(=C\c1cc(OC)c([O-])c([N+](=O)[O-])c1)C2=O ZINC000759667373 1301138140 /nfs/dbraw/zinc/13/81/40/1301138140.db2.gz XKJYBIRETLAKFR-IZZDOVSWSA-N -1 0 341.319 3.140 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2ccc(F)c(Cl)c2Cl)C(=O)O1 ZINC000761473922 1301478961 /nfs/dbraw/zinc/47/89/61/1301478961.db2.gz JJAFRKZTUGXRGW-KTLBGCOUSA-N -1 0 343.137 3.361 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cccc([C@@H]2CCOC2)c1 ZINC000762025739 1301593610 /nfs/dbraw/zinc/59/36/10/1301593610.db2.gz VIVDCUYCZDGDGS-QZTJIDSGSA-N -1 0 342.439 3.209 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)CCCc1ccc(Cl)c(Cl)c1 ZINC000762049335 1301601067 /nfs/dbraw/zinc/60/10/67/1301601067.db2.gz BAXDYPIQKCPMEB-UHFFFAOYSA-N -1 0 330.211 3.415 20 30 EGEDRM CC#CCNC(=O)c1ccsc1NC(=O)c1ccc(Cl)cc1[O-] ZINC000763174080 1301836072 /nfs/dbraw/zinc/83/60/72/1301836072.db2.gz MPLCGOYUQSURRR-UHFFFAOYSA-N -1 0 348.811 3.113 20 30 EGEDRM COc1cc(OC)c(OC)cc1N=Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000764413874 1302059971 /nfs/dbraw/zinc/05/99/71/1302059971.db2.gz MSEVWHNBJKHLKA-UHFFFAOYSA-N -1 0 332.312 3.077 20 30 EGEDRM O=C([O-])c1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])s1 ZINC000766033835 1302374710 /nfs/dbraw/zinc/37/47/10/1302374710.db2.gz NTLUJENDFIUFEZ-DUXPYHPUSA-N -1 0 348.292 3.159 20 30 EGEDRM CCc1cnccc1C(=O)/C=C\c1cccc(OCCC(=O)[O-])c1 ZINC000766772396 1302513827 /nfs/dbraw/zinc/51/38/27/1302513827.db2.gz RPMCPBPORPMWQB-SREVYHEPSA-N -1 0 325.364 3.394 20 30 EGEDRM CC(N=Nc1cc(C#N)cc(Cl)n1)c1ccc(CC(=O)[O-])cc1 ZINC000768382740 1302894289 /nfs/dbraw/zinc/89/42/89/1302894289.db2.gz YTWFYNRQHFGTBZ-UHFFFAOYSA-N -1 0 328.759 3.070 20 30 EGEDRM Cc1cc(Cl)cc2c1OCCCC2=NNc1[n-]cnc2ncnc1-2 ZINC000768483176 1302916827 /nfs/dbraw/zinc/91/68/27/1302916827.db2.gz MYCCLADETMRDBE-UHFFFAOYSA-N -1 0 342.790 3.304 20 30 EGEDRM O=C([O-])c1csc(C=NNc2ccnc(Br)c2)c1 ZINC000769803758 1303176664 /nfs/dbraw/zinc/17/66/64/1303176664.db2.gz YRJFEOLURLMWOF-UHFFFAOYSA-N -1 0 326.175 3.050 20 30 EGEDRM C=CCNC(=O)C(C#N)=C([O-])c1ccc(OCCCC)cc1Cl ZINC000770846205 1303320358 /nfs/dbraw/zinc/32/03/58/1303320358.db2.gz HQLATHOQOIELJC-CQSZACIVSA-N -1 0 334.803 3.144 20 30 EGEDRM C=CCNC(=O)C(C#N)=C([O-])c1ccc(OCCCC)cc1Cl ZINC000770846202 1303320819 /nfs/dbraw/zinc/32/08/19/1303320819.db2.gz HQLATHOQOIELJC-AWEZNQCLSA-N -1 0 334.803 3.144 20 30 EGEDRM COc1ccc(C=NN[C@@H]2CCCCC2(C)C)c(OCC(=O)[O-])c1 ZINC000773125095 1303628949 /nfs/dbraw/zinc/62/89/49/1303628949.db2.gz MUGNPEYNVNKDBM-MRXNPFEDSA-N -1 0 334.416 3.051 20 30 EGEDRM Cc1c(C(=O)/C=C\c2cccc(C(=O)[O-])c2)nnn1-c1ccccc1 ZINC000774126388 1303777177 /nfs/dbraw/zinc/77/71/77/1303777177.db2.gz KYAYNDMLCDFWTH-KHPPLWFESA-N -1 0 333.347 3.170 20 30 EGEDRM CN(C)c1nccc(C/N=C/c2cc(Cl)cc(Cl)c2[O-])n1 ZINC000775633892 1303999635 /nfs/dbraw/zinc/99/96/35/1303999635.db2.gz MUQUTOFAEUYEEK-REZTVBANSA-N -1 0 325.199 3.174 20 30 EGEDRM CCc1cnccc1C(=O)/C=C\c1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000776192354 1304110578 /nfs/dbraw/zinc/11/05/78/1304110578.db2.gz PCOTYCVLNDNZQN-MEJMFZKBSA-N -1 0 325.364 3.392 20 30 EGEDRM C=CCSc1ccccc1C(=O)[N-]S(=O)(=O)c1ccccc1C ZINC000777282251 1304279733 /nfs/dbraw/zinc/27/97/33/1304279733.db2.gz PDSUXCUSXNXJFS-UHFFFAOYSA-N -1 0 347.461 3.392 20 30 EGEDRM CNC(=O)C(C#N)=C([O-])c1cc(-c2ccccc2)nc2ccc(C)cc21 ZINC000780311307 1304675740 /nfs/dbraw/zinc/67/57/40/1304675740.db2.gz AETONUFTAGCIAI-QGZVFWFLSA-N -1 0 343.386 3.279 20 30 EGEDRM CCCCCCCCCCC(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000780608576 1304714696 /nfs/dbraw/zinc/71/46/96/1304714696.db2.gz KLRVIDDOJGDNBU-OAHLLOKOSA-N -1 0 333.494 3.142 20 30 EGEDRM C=C[C@H](C)OC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000781576802 1304843887 /nfs/dbraw/zinc/84/38/87/1304843887.db2.gz OOLDPPFUWODVBH-LBPRGKRZSA-N -1 0 349.383 3.358 20 30 EGEDRM COc1cc(C=NNc2cc(C)ccc2F)ccc1OCCC(=O)[O-] ZINC000783854392 1305152522 /nfs/dbraw/zinc/15/25/22/1305152522.db2.gz PPTJWNXLTAFUJC-UHFFFAOYSA-N -1 0 346.358 3.442 20 30 EGEDRM Cc1ccnc(Oc2ccc(C([O-])=C(C#N)C(=O)N3CCCC3)cc2)c1 ZINC000892458244 1305384866 /nfs/dbraw/zinc/38/48/66/1305384866.db2.gz WHRZZVLCCPPUMJ-KRWDZBQOSA-N -1 0 349.390 3.127 20 30 EGEDRM N#CC(C(=O)NCc1cccc(Cl)c1)=C([O-])c1ccc(Cl)o1 ZINC000786530199 1305590384 /nfs/dbraw/zinc/59/03/84/1305590384.db2.gz FZMOURTZVQDEFZ-NSHDSACASA-N -1 0 337.162 3.225 20 30 EGEDRM Cc1cc(F)ccc1C([O-])=C(C#N)C(=O)NCc1ccc(F)cc1F ZINC000786561801 1305599210 /nfs/dbraw/zinc/59/92/10/1305599210.db2.gz PKZQIMSNAMWULT-OAHLLOKOSA-N -1 0 346.308 3.051 20 30 EGEDRM CCON=Cc1ccc(Cl)c(I)c1[O-] ZINC000788709572 1306001253 /nfs/dbraw/zinc/00/12/53/1306001253.db2.gz MPPJLGFJCJVXQO-UHFFFAOYSA-N -1 0 325.533 3.021 20 30 EGEDRM Cc1cccc([N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)c1C#N ZINC000789764719 1306212620 /nfs/dbraw/zinc/21/26/20/1306212620.db2.gz OIGYNCIAQCIHAM-UHFFFAOYSA-N -1 0 329.356 3.288 20 30 EGEDRM Cn1nc(C(F)F)c2cc(C(=O)Nc3cc(C#N)ccc3[O-])sc21 ZINC000792278252 1309154579 /nfs/dbraw/zinc/15/45/79/1309154579.db2.gz VSRDVMUGEGWRMG-UHFFFAOYSA-N -1 0 348.334 3.402 20 30 EGEDRM CC[C@H](NN=C(Cc1ccccn1)c1ccc(Cl)cc1F)C(=O)[O-] ZINC000793073917 1309290656 /nfs/dbraw/zinc/29/06/56/1309290656.db2.gz XRKZVDRIZUSUMQ-HNNXBMFYSA-N -1 0 349.793 3.274 20 30 EGEDRM CC[C@@H](NN=Cc1cn(Cc2ccccc2)nc1C(C)(C)C)C(=O)[O-] ZINC000793072757 1309291120 /nfs/dbraw/zinc/29/11/20/1309291120.db2.gz WEFJBTXECCECEB-MRXNPFEDSA-N -1 0 342.443 3.016 20 30 EGEDRM Cc1cc(C)c(C(=O)[O-])cc1/C=C/C(=O)c1cn(-c2ccccc2)nn1 ZINC000794940821 1309626533 /nfs/dbraw/zinc/62/65/33/1309626533.db2.gz CXSROPVBYRJLEJ-CMDGGOBGSA-N -1 0 347.374 3.478 20 30 EGEDRM CC[C@@H]1CCCC[C@H]1C(=O)OCC([O-])=C(C#N)c1nc(C)cs1 ZINC000796318930 1309965698 /nfs/dbraw/zinc/96/56/98/1309965698.db2.gz BMOINOHSMPOCCG-MCIONIFRSA-N -1 0 334.441 3.387 20 30 EGEDRM N#CC(C(=O)NC1CC1)=C([O-])c1ccc2nc(-c3ccccc3)oc2c1 ZINC000796633389 1310051479 /nfs/dbraw/zinc/05/14/79/1310051479.db2.gz CZBRIUOEOHWNJC-HNNXBMFYSA-N -1 0 345.358 3.096 20 30 EGEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1csc2cc(C)ccc12 ZINC000796634401 1310051890 /nfs/dbraw/zinc/05/18/90/1310051890.db2.gz YPZCMBKRGUEOKG-CQSZACIVSA-N -1 0 344.436 3.075 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(C(F)(F)F)s1 ZINC000796780089 1310086367 /nfs/dbraw/zinc/08/63/67/1310086367.db2.gz RYGNSTWCZHIDLD-VIFPVBQESA-N -1 0 332.347 3.396 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000797704455 1310234437 /nfs/dbraw/zinc/23/44/37/1310234437.db2.gz WDQWTQGZXMKVDG-JTQLQIEISA-N -1 0 330.306 3.049 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)Nc1ccc(Oc2cccnc2)c(C)c1 ZINC000797738154 1310240430 /nfs/dbraw/zinc/24/04/30/1310240430.db2.gz AZQTYQCIWODKJH-UHFFFAOYSA-N -1 0 341.367 3.287 20 30 EGEDRM C=CC[C@@H](CC)NC(=O)c1cccc(I)c1[O-] ZINC000799035154 1310471559 /nfs/dbraw/zinc/47/15/59/1310471559.db2.gz ULBFBJJOXLSHJJ-SECBINFHSA-N -1 0 345.180 3.081 20 30 EGEDRM CCCCCCCS(=O)(=O)[N-]c1n[nH]c(C(F)(F)F)c1C ZINC000799641010 1310593094 /nfs/dbraw/zinc/59/30/94/1310593094.db2.gz VSGMCAHXZZALON-UHFFFAOYSA-N -1 0 327.372 3.449 20 30 EGEDRM Cc1cccc(Oc2ccc(C([O-])=C(C#N)C(=O)N3CCCC3)nc2)c1 ZINC000838788134 1320816714 /nfs/dbraw/zinc/81/67/14/1320816714.db2.gz SCGKEQPYSLEITQ-KRWDZBQOSA-N -1 0 349.390 3.127 20 30 EGEDRM C=C[C@@H](CC)CC(=O)N1CCC(c2nc(C)c(C(=O)[O-])s2)CC1 ZINC000899298301 1316986942 /nfs/dbraw/zinc/98/69/42/1316986942.db2.gz OBRYIDULPSRZDW-LBPRGKRZSA-N -1 0 336.457 3.458 20 30 EGEDRM CCCc1nc(C([O-])=C(C#N)C(=O)N[C@@H](CC)c2ccccc2)co1 ZINC000802218354 1316990034 /nfs/dbraw/zinc/99/00/34/1316990034.db2.gz BVLQXXMJLKLDLP-CABCVRRESA-N -1 0 339.395 3.217 20 30 EGEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1cccc(N(C)C)c1)c1ccccc1 ZINC000802219252 1316990380 /nfs/dbraw/zinc/99/03/80/1316990380.db2.gz ULCGYPNJUZUQMP-MOPGFXCFSA-N -1 0 349.434 3.343 20 30 EGEDRM C[C@H](Oc1cccc(C(=O)/C=C/c2ccnn2C2CCC2)c1)C(=O)[O-] ZINC000899350510 1316998556 /nfs/dbraw/zinc/99/85/56/1316998556.db2.gz GRAUXVSCELZOBX-XEHSLEBBSA-N -1 0 340.379 3.356 20 30 EGEDRM C[C@H](Oc1ccc(/C=C/C(=O)c2cnn(C3CCC3)c2)cc1)C(=O)[O-] ZINC000899401240 1317020324 /nfs/dbraw/zinc/02/03/24/1317020324.db2.gz SMIISSGCYWWRLC-RSPDNQDQSA-N -1 0 340.379 3.356 20 30 EGEDRM COc1ccc(C(=O)/C=C\c2c(C)nn(-c3ccccn3)c2C)c([O-])c1 ZINC000802705141 1317026070 /nfs/dbraw/zinc/02/60/70/1317026070.db2.gz BNYFVQGIGHBOQX-KTKRTIGZSA-N -1 0 349.390 3.494 20 30 EGEDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N(O)Cc1cccc2ccccc21 ZINC000900091759 1317234321 /nfs/dbraw/zinc/23/43/21/1317234321.db2.gz LVIRQEUJJNSHNG-UHFFFAOYSA-N -1 0 338.319 3.485 20 30 EGEDRM C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cccc(Cl)c1[O-] ZINC000804464636 1317239115 /nfs/dbraw/zinc/23/91/15/1317239115.db2.gz PVBSKBPYNQKSOA-UHFFFAOYSA-N -1 0 335.787 3.349 20 30 EGEDRM COc1cc(C#N)ccc1OCCOC(=O)c1ccc([O-])c(Cl)c1 ZINC000805336712 1317344400 /nfs/dbraw/zinc/34/44/00/1317344400.db2.gz XYYNMCQNCKRHEQ-UHFFFAOYSA-N -1 0 347.754 3.162 20 30 EGEDRM C=CCC[C@H](C)Nc1ccc(C(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000901696609 1317464335 /nfs/dbraw/zinc/46/43/35/1317464335.db2.gz NVLGOICNPVQKPX-AWEZNQCLSA-N -1 0 330.428 3.390 20 30 EGEDRM O=C([O-])c1cccc(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)c1 ZINC000806558635 1317501058 /nfs/dbraw/zinc/50/10/58/1317501058.db2.gz IARZKVBWPQEWKH-RMKNXTFCSA-N -1 0 337.375 3.118 20 30 EGEDRM CCOC(=O)c1ccc(/C=C2\C[C@H](C(=O)[O-])c3ccccc3C2=O)o1 ZINC000806563225 1317502691 /nfs/dbraw/zinc/50/26/91/1317502691.db2.gz UCKRXYVVIJHYGG-GDXASINISA-N -1 0 340.331 3.295 20 30 EGEDRM COc1cc(F)c(C(=O)/C=C\c2ccc(O)c(C(=O)[O-])c2)cc1OC ZINC000809158856 1317776824 /nfs/dbraw/zinc/77/68/24/1317776824.db2.gz XSTXDFYYSPENDY-HYXAFXHYSA-N -1 0 346.310 3.143 20 30 EGEDRM CC[C@@H](CN1CCOCC1)/N=C/c1cc(Cl)cc(Cl)c1[O-] ZINC000905002749 1317914135 /nfs/dbraw/zinc/91/41/35/1317914135.db2.gz LSMWXQGOPYOSDA-VVSAQIQQSA-N -1 0 331.243 3.229 20 30 EGEDRM CCc1c(C)sc([N-]S(=O)(=O)c2ccc3c(c2)COC3)c1C#N ZINC000906073600 1318033938 /nfs/dbraw/zinc/03/39/38/1318033938.db2.gz PRPJPGMOSTYGND-UHFFFAOYSA-N -1 0 348.449 3.322 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2cccc(OCC=C(C)C)c2)CC1 ZINC000810987810 1318087527 /nfs/dbraw/zinc/08/75/27/1318087527.db2.gz AODYBJGUBNPMAD-UHFFFAOYSA-N -1 0 349.452 3.200 20 30 EGEDRM N#Cc1c(F)cccc1/C=C(\C(=O)C(=O)[O-])c1ccc2ccccc2n1 ZINC000811686012 1318226863 /nfs/dbraw/zinc/22/68/63/1318226863.db2.gz KSMLFQYFGXVBGZ-UVTDQMKNSA-N -1 0 346.317 3.440 20 30 EGEDRM C=C[C@H](CC)CC(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1 ZINC000907841814 1318272136 /nfs/dbraw/zinc/27/21/36/1318272136.db2.gz LUNFVURYJCDIBW-CQSZACIVSA-N -1 0 330.428 3.390 20 30 EGEDRM C#C[C@@H](NC(=O)c1n[n-]c2ccccc2c1=O)c1ccc(Cl)cc1 ZINC000811945532 1318294145 /nfs/dbraw/zinc/29/41/45/1318294145.db2.gz WGLXSODHYDUJEZ-CQSZACIVSA-N -1 0 337.766 3.093 20 30 EGEDRM C#CCO[N-]C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000812784455 1318453695 /nfs/dbraw/zinc/45/36/95/1318453695.db2.gz PABRDMNDGDDPMT-UHFFFAOYSA-N -1 0 340.326 3.052 20 30 EGEDRM C#CCC1(C(=O)N[C@@H](C)c2ccc(OCC(=O)[O-])cc2)CCCCC1 ZINC000909789994 1318524391 /nfs/dbraw/zinc/52/43/91/1318524391.db2.gz NZGHQOREMCPYBT-HNNXBMFYSA-N -1 0 343.423 3.301 20 30 EGEDRM C#CCCCC(=O)N1CCC([C@H](CC(=O)[O-])c2ccccc2)CC1 ZINC000910029356 1318551523 /nfs/dbraw/zinc/55/15/23/1318551523.db2.gz AWSIYYQUOLGKAR-GOSISDBHSA-N -1 0 327.424 3.287 20 30 EGEDRM C=C(C)[C@H](CC(=O)Nc1cccc(C(=O)[O-])c1OC(C)C)OCC ZINC000911734329 1318763337 /nfs/dbraw/zinc/76/33/37/1318763337.db2.gz QPMQBBGVNCJEHU-HNNXBMFYSA-N -1 0 335.400 3.482 20 30 EGEDRM COc1cccc(-c2n[nH]cc2C=NNc2ccc(C(=O)[O-])cc2)c1 ZINC000814681163 1318799015 /nfs/dbraw/zinc/79/90/15/1318799015.db2.gz ZYSFBNQEUJIWGB-UHFFFAOYSA-N -1 0 336.351 3.230 20 30 EGEDRM O=C([O-])c1ccc(NN=C2COc3ccc(Br)cc32)cc1 ZINC000814680914 1318799385 /nfs/dbraw/zinc/79/93/85/1318799385.db2.gz OCMUYEDDEOQDIJ-UHFFFAOYSA-N -1 0 347.168 3.356 20 30 EGEDRM C[C@@H]1CC(N=Nc2ncnc3sc4c(c32)CCC4)CC[C@H]1C(=O)[O-] ZINC000814725790 1318805452 /nfs/dbraw/zinc/80/54/52/1318805452.db2.gz CLIZFHJMPDWRKL-MWLCHTKSSA-N -1 0 344.440 3.469 20 30 EGEDRM COc1ccc(CNN=C(C)c2cccc(O[C@@H](C)C(=O)[O-])c2)cc1 ZINC000814811227 1318823154 /nfs/dbraw/zinc/82/31/54/1318823154.db2.gz WLRBLZPTPHJLEX-AWEZNQCLSA-N -1 0 342.395 3.061 20 30 EGEDRM COc1cc([N+](=O)[O-])ccc1NN=Cc1cc(C(=O)[O-])c(C)cc1C ZINC000814821924 1318825537 /nfs/dbraw/zinc/82/55/37/1318825537.db2.gz NLNLNINKEQDLTM-UHFFFAOYSA-N -1 0 343.339 3.364 20 30 EGEDRM Cc1ccc(N=NC2CC(C(=O)[O-])(c3cccc(Cl)c3)C2)nn1 ZINC000814840215 1318829553 /nfs/dbraw/zinc/82/95/53/1318829553.db2.gz GRAUZPGDAMLTFD-UHFFFAOYSA-N -1 0 330.775 3.023 20 30 EGEDRM Cc1nc(Cl)cc(N=NC(C)c2cccc(O[C@@H](C)C(=O)[O-])c2)n1 ZINC000814855219 1318831825 /nfs/dbraw/zinc/83/18/25/1318831825.db2.gz HXLGEMPOTMZFAK-JTQLQIEISA-N -1 0 348.790 3.126 20 30 EGEDRM CC(=NNCCc1ccccc1F)c1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000814875861 1318837393 /nfs/dbraw/zinc/83/73/93/1318837393.db2.gz ZLXARWHVZUHZNP-AWEZNQCLSA-N -1 0 344.386 3.234 20 30 EGEDRM CC[C@H](C)NN=C(C)c1cc(Br)ccc1OCC(=O)[O-] ZINC000814912777 1318847112 /nfs/dbraw/zinc/84/71/12/1318847112.db2.gz AOLKNANSWORVCU-VIFPVBQESA-N -1 0 343.221 3.025 20 30 EGEDRM C=CCC(F)(F)C(=O)N[C@H](C(=O)OC)c1ccc(Cl)c(F)c1 ZINC000815880938 1319066174 /nfs/dbraw/zinc/06/61/74/1319066174.db2.gz XKGYVEJNRLEOMR-NSHDSACASA-N -1 0 335.709 3.021 20 30 EGEDRM C[C@H](C(=O)Nc1cc(C#N)ccc1[O-])[C@H]1OCCc2sccc21 ZINC000815877760 1319066324 /nfs/dbraw/zinc/06/63/24/1319066324.db2.gz GFKZLVKTXIPTBP-MGPLVRAMSA-N -1 0 328.393 3.214 20 30 EGEDRM C=CCC(F)(F)C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000815898752 1319069050 /nfs/dbraw/zinc/06/90/50/1319069050.db2.gz RIGHUBHLEOJQDL-UHFFFAOYSA-N -1 0 344.166 3.010 20 30 EGEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1ncoc1C1CC1)c1ccccc1 ZINC000816038915 1319092406 /nfs/dbraw/zinc/09/24/06/1319092406.db2.gz KCEOZNYIEMYBLL-GJZGRUSLSA-N -1 0 337.379 3.142 20 30 EGEDRM N#Cc1nc(NC(=O)c2ccccc2SCc2ccco2)[n-]c1C#N ZINC000914532800 1319341783 /nfs/dbraw/zinc/34/17/83/1319341783.db2.gz YLMDOKHDPSBUCJ-UHFFFAOYSA-N -1 0 349.375 3.291 20 30 EGEDRM O=C([O-])c1cccc(NN=Cc2cccc(Br)c2O)c1 ZINC000915935702 1319564958 /nfs/dbraw/zinc/56/49/58/1319564958.db2.gz GTKPHGXZFWTTNA-UHFFFAOYSA-N -1 0 335.157 3.299 20 30 EGEDRM CC(=NNC(=S)Nc1ccccc1F)c1ccc(CC(=O)[O-])cc1 ZINC000915936863 1319565242 /nfs/dbraw/zinc/56/52/42/1319565242.db2.gz FNAXCUBJRAZHFN-UHFFFAOYSA-N -1 0 345.399 3.163 20 30 EGEDRM O=C1OCCN1Cc1cccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000915982176 1319579557 /nfs/dbraw/zinc/57/95/57/1319579557.db2.gz RAUUJJFSYYBYCN-UHFFFAOYSA-N -1 0 341.323 3.003 20 30 EGEDRM CC(C)(C)OC(=O)C(C)(C)CC/N=C\c1cc([N+](=O)[O-])ccc1[O-] ZINC000818992642 1319609280 /nfs/dbraw/zinc/60/92/80/1319609280.db2.gz RYUWMLHHYAYZCS-WQRHYEAKSA-N -1 0 336.388 3.477 20 30 EGEDRM COc1cc(/C=C\C(=O)c2cccc(OCC(=O)[O-])c2)cc(OC)c1 ZINC000916157943 1319611595 /nfs/dbraw/zinc/61/15/95/1319611595.db2.gz YNCYMAODLXCVDH-SREVYHEPSA-N -1 0 342.347 3.063 20 30 EGEDRM O=C([O-])c1ccccc1C=NN1C(=O)c2cccc3cccc(c32)C1=O ZINC000916306066 1319637344 /nfs/dbraw/zinc/63/73/44/1319637344.db2.gz KEMKMCXJONEISY-UHFFFAOYSA-N -1 0 344.326 3.168 20 30 EGEDRM O=C([O-])COc1ccccc1CN=Nc1ccc(C(F)(F)F)cn1 ZINC000916592848 1319680172 /nfs/dbraw/zinc/68/01/72/1319680172.db2.gz ZPLFUGDFAFQQBZ-UHFFFAOYSA-N -1 0 339.273 3.010 20 30 EGEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(C#Cc2ccccc2)cc1 ZINC000916871566 1319717761 /nfs/dbraw/zinc/71/77/61/1319717761.db2.gz PGBDIXLGRQICTJ-HXUWFJFHSA-N -1 0 342.398 3.031 20 30 EGEDRM O=C([O-])c1cc(NN=Cc2cccc3c2OCCO3)ccc1Cl ZINC000917532617 1319828654 /nfs/dbraw/zinc/82/86/54/1319828654.db2.gz NHFCVYWLGKYKKV-UHFFFAOYSA-N -1 0 332.743 3.255 20 30 EGEDRM CC(C)(C)c1ncc(/C=C/C(=O)c2cccc(OCC(=O)[O-])c2)cn1 ZINC000840712654 1321133042 /nfs/dbraw/zinc/13/30/42/1321133042.db2.gz DZHQWUITVMDEOE-BQYQJAHWSA-N -1 0 340.379 3.134 20 30 EGEDRM Cc1c([N-][NH+]=Cc2ccc(N3CCOCC3)s2)cccc1C(=O)[O-] ZINC000844626752 1321627079 /nfs/dbraw/zinc/62/70/79/1321627079.db2.gz BUAOPJSEFSWYKF-UHFFFAOYSA-N -1 0 345.424 3.037 20 30 EGEDRM C=C(C)CO[N-]C(=O)C(=O)Nc1ccc(OCC2CCCCC2)cc1 ZINC000846149913 1321772240 /nfs/dbraw/zinc/77/22/40/1321772240.db2.gz UCAYSTHCHNILSG-UHFFFAOYSA-N -1 0 346.427 3.208 20 30 EGEDRM C=CCN(CC(=O)[O-])Cc1c(C)nn(Cc2ccc(Cl)cc2)c1C ZINC000846263216 1321780766 /nfs/dbraw/zinc/78/07/66/1321780766.db2.gz GFIWCWNBJQNQCA-UHFFFAOYSA-N -1 0 347.846 3.274 20 30 EGEDRM C=C(C)CO[N-]C(=O)C1(c2cc(F)cc(Br)c2)CC1 ZINC000846534016 1321791065 /nfs/dbraw/zinc/79/10/65/1321791065.db2.gz RORMQQDYYNRJJD-UHFFFAOYSA-N -1 0 328.181 3.244 20 30 EGEDRM CC(C)(C)OC(=O)N1CCC(N=Nc2ccc(CC(=O)[O-])cc2)CC1 ZINC000848414926 1321958250 /nfs/dbraw/zinc/95/82/50/1321958250.db2.gz FXWNZUHJJBOEKC-UHFFFAOYSA-N -1 0 347.415 3.113 20 30 EGEDRM C[C@@H]1CN(CC/N=C/c2cc(Cl)cc(Cl)c2[O-])[C@H](C)CO1 ZINC000849169288 1322093881 /nfs/dbraw/zinc/09/38/81/1322093881.db2.gz ASLWGHRBGJDPIE-CTDROBFWSA-N -1 0 331.243 3.227 20 30 EGEDRM CC(C)(C)c1n[nH]cc1C=CC(=O)c1cccc(OCC(=O)[O-])c1 ZINC000920064693 1322133459 /nfs/dbraw/zinc/13/34/59/1322133459.db2.gz JFNVFZNLBAMOQF-FPLPWBNLSA-N -1 0 328.368 3.067 20 30 EGEDRM COc1cc(C)cc2c1OC/C(=C/c1ccc([O-])c([N+](=O)[O-])c1)C2=O ZINC000920389896 1322171000 /nfs/dbraw/zinc/17/10/00/1322171000.db2.gz QGLIPIQSLFKYAS-GHXNOFRVSA-N -1 0 341.319 3.276 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])C=C(C)c2ccco2)n1 ZINC000850794796 1322294302 /nfs/dbraw/zinc/29/43/02/1322294302.db2.gz PWVLFFVNPUYTED-BRNRAETOSA-N -1 0 330.365 3.193 20 30 EGEDRM CC(C)c1cccc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCCCC2)c1 ZINC000850949522 1322315339 /nfs/dbraw/zinc/31/53/39/1322315339.db2.gz XZWZDWSBLGZECY-UHFFFAOYSA-N -1 0 348.468 3.344 20 30 EGEDRM C=CC[N@H+](Cc1cc(=O)oc2cc([O-])c(Cl)cc12)[C@@H](C)COC ZINC000852356747 1323182354 /nfs/dbraw/zinc/18/23/54/1323182354.db2.gz NCKXFNWDDXLCRQ-NSHDSACASA-N -1 0 337.803 3.175 20 30 EGEDRM C=CCCO[N-]C(=O)[C@H](C)Oc1ccc(C)cc1Br ZINC000856030307 1325440662 /nfs/dbraw/zinc/44/06/62/1325440662.db2.gz BZMPQYUDJYJGBJ-NSHDSACASA-N -1 0 328.206 3.149 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)CC(C2CCC2)C2CCC2)CC1 ZINC000860773267 1329353684 /nfs/dbraw/zinc/35/36/84/1329353684.db2.gz IVGZRJVFERFEQF-UHFFFAOYSA-N -1 0 325.474 3.148 20 30 EGEDRM N#Cc1cc(F)ccc1Nc1cc(S(=O)(=O)[O-])ccc1Cl ZINC001210556386 1372377943 /nfs/dbraw/zinc/37/79/43/1372377943.db2.gz OHYFMSBHYVQMLD-UHFFFAOYSA-N -1 0 326.736 3.341 20 30 EGEDRM Cc1ccc([C@@]2(C)CN(C(=O)CCC(=O)C3=CC=C[CH]3)CCO2)cc1 ZINC001184243960 1387418442 /nfs/dbraw/zinc/41/84/42/1387418442.db2.gz NTJZDEBEEHTZHZ-OAQYLSRUSA-N -1 0 338.427 3.119 20 30 EGEDRM Cc1ccccc1-c1cc(NC(=O)CCC(=O)C2=CC=C[CH]2)n(C)n1 ZINC001184241396 1387418830 /nfs/dbraw/zinc/41/88/30/1387418830.db2.gz RZUKTDFKWWSRFK-UHFFFAOYSA-N -1 0 334.399 3.384 20 30 EGEDRM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1c[nH]c(C(F)(F)F)c1 ZINC001323948553 1387499431 /nfs/dbraw/zinc/49/94/31/1387499431.db2.gz JQPHJAWUUVAPHB-UHFFFAOYSA-N -1 0 329.303 3.014 20 30 EGEDRM N#Cc1ccc(NC(=O)c2cc(Cl)c(C#N)c(Cl)n2)c([O-])c1 ZINC001184807620 1387543306 /nfs/dbraw/zinc/54/33/06/1387543306.db2.gz DPHUPWVQGINYSA-UHFFFAOYSA-N -1 0 333.134 3.090 20 30 EGEDRM N#Cc1cccc(C(F)(F)F)c1[N-]S(=O)(=O)c1ccsc1 ZINC001185390309 1387701837 /nfs/dbraw/zinc/70/18/37/1387701837.db2.gz CXWCZADSYHBTMZ-UHFFFAOYSA-N -1 0 332.328 3.439 20 30 EGEDRM CC(C)n1ncc(C#N)c1[N-]S(=O)(=O)c1cc2ccccc2s1 ZINC001185429415 1387714192 /nfs/dbraw/zinc/71/41/92/1387714192.db2.gz KVRRJZBWYJQHTB-UHFFFAOYSA-N -1 0 346.437 3.351 20 30 EGEDRM Cc1cc([N-]S(=O)(=O)c2ccc(F)c3ccccc32)cnc1C#N ZINC001189355671 1367001288 /nfs/dbraw/zinc/00/12/88/1367001288.db2.gz OSDAOPVQCNWKFH-UHFFFAOYSA-N -1 0 341.367 3.355 20 30 EGEDRM N#Cc1ccc(O)c([N-]S(=O)(=O)c2ccc(F)c3ccccc32)c1 ZINC001189385753 1367008644 /nfs/dbraw/zinc/00/86/44/1367008644.db2.gz OYIHPIQKBAKCAP-UHFFFAOYSA-N -1 0 342.351 3.357 20 30 EGEDRM N#CCc1cc([N-]S(=O)(=O)c2cc(F)cc(F)c2F)ccc1F ZINC001190395437 1367252007 /nfs/dbraw/zinc/25/20/07/1367252007.db2.gz NPLQRQWVGTUHLK-UHFFFAOYSA-N -1 0 344.289 3.110 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cccnc2C2CCC2)c1 ZINC001190619206 1367310226 /nfs/dbraw/zinc/31/02/26/1367310226.db2.gz BDGYJBUMBMWQEP-UHFFFAOYSA-N -1 0 331.372 3.161 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)c1 ZINC001190648732 1367316778 /nfs/dbraw/zinc/31/67/78/1367316778.db2.gz YULDFIXXHKXPKL-UHFFFAOYSA-N -1 0 328.727 3.291 20 30 EGEDRM CC(=O)c1cccc([N-]S(=O)(=O)c2cc(C#N)ccc2F)c1C ZINC001190656132 1367320223 /nfs/dbraw/zinc/32/02/23/1367320223.db2.gz UCGWDYRLYHSCRS-UHFFFAOYSA-N -1 0 332.356 3.009 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-][C@H](c2cccc(F)c2)C(F)(F)F)CC1 ZINC001190821803 1367360593 /nfs/dbraw/zinc/36/05/93/1367360593.db2.gz LPISXBQFVHGKGY-GFCCVEGCSA-N -1 0 337.338 3.457 20 30 EGEDRM CCc1ccc(C)nc1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC001190926747 1367384671 /nfs/dbraw/zinc/38/46/71/1367384671.db2.gz ZMZMJKZPIIJZFD-UHFFFAOYSA-N -1 0 335.816 3.278 20 30 EGEDRM Cc1cnc(Cl)cc1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC001190939256 1367386891 /nfs/dbraw/zinc/38/68/91/1367386891.db2.gz XEPXVMXPKJVDOQ-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2csc(C#N)c2)c1 ZINC001191157615 1367434851 /nfs/dbraw/zinc/43/48/51/1367434851.db2.gz GJVZNTPAJOZBAA-UHFFFAOYSA-N -1 0 329.406 3.277 20 30 EGEDRM CCCCc1ccc(S(=O)(=O)[N-]c2ccc(C#N)nc2C)cc1 ZINC001191233822 1367453746 /nfs/dbraw/zinc/45/37/46/1367453746.db2.gz TWFNQVRQTWGDMB-UHFFFAOYSA-N -1 0 329.425 3.405 20 30 EGEDRM N#Cc1c(Cl)cccc1[N-]S(=O)(=O)C(Cl)(Cl)Cl ZINC001192034462 1367670821 /nfs/dbraw/zinc/67/08/21/1367670821.db2.gz GXUZQXJRJBUQPX-UHFFFAOYSA-N -1 0 334.011 3.281 20 30 EGEDRM C[C@@H](C#N)c1ccc([N-]S(=O)(=O)C(Cl)(Cl)Cl)cc1 ZINC001192035715 1367672172 /nfs/dbraw/zinc/67/21/72/1367672172.db2.gz XSBKPPYEIAAICU-ZETCQYMHSA-N -1 0 327.620 3.383 20 30 EGEDRM Cn1nccc1-c1cccc(C(=O)Nc2cc(C#N)c(F)cc2[O-])c1 ZINC001192297969 1367742807 /nfs/dbraw/zinc/74/28/07/1367742807.db2.gz SXNZPLISNKDZQQ-UHFFFAOYSA-N -1 0 336.326 3.056 20 30 EGEDRM Cc1cc(Cl)ncc1S(=O)(=O)[N-]c1c(C)cc(C#N)cc1C ZINC001192356421 1367761009 /nfs/dbraw/zinc/76/10/09/1367761009.db2.gz PVGIJPAKBGYGEN-UHFFFAOYSA-N -1 0 335.816 3.333 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(CC#N)c2)cnc1Cl ZINC001192579906 1367823849 /nfs/dbraw/zinc/82/38/49/1367823849.db2.gz ROOJHJWCRZIDDE-UHFFFAOYSA-N -1 0 339.779 3.049 20 30 EGEDRM COc1cccc([C@H](C)NC(=O)Nc2cc(C#N)c(F)cc2[O-])c1 ZINC001192893380 1367898665 /nfs/dbraw/zinc/89/86/65/1367898665.db2.gz RLIHNQGUJWFIGL-JTQLQIEISA-N -1 0 329.331 3.294 20 30 EGEDRM N#Cc1ccc(F)c(F)c1NC(=O)c1cc(Cl)nc(Cl)c1[O-] ZINC001193092956 1367942319 /nfs/dbraw/zinc/94/23/19/1367942319.db2.gz FKRNSQSREWUJNW-UHFFFAOYSA-N -1 0 344.104 3.496 20 30 EGEDRM Cc1c(Br)ccc(N)c1NC(=O)c1ccc([O-])c(C#N)c1 ZINC001193506787 1368047690 /nfs/dbraw/zinc/04/76/90/1368047690.db2.gz XXWRDMLWYOPGED-UHFFFAOYSA-N -1 0 346.184 3.169 20 30 EGEDRM CC(=O)C1(c2ccccc2)CCN(C(=O)c2cccc(C#N)c2[O-])CC1 ZINC001193644042 1368082595 /nfs/dbraw/zinc/08/25/95/1368082595.db2.gz MQJOBEDALYDZQU-UHFFFAOYSA-N -1 0 348.402 3.027 20 30 EGEDRM CC(C)(CNC(=O)c1cccc(C#N)c1[O-])c1c[nH]c2ccccc21 ZINC001193658993 1368086880 /nfs/dbraw/zinc/08/68/80/1368086880.db2.gz INTDILLYBQXUFO-UHFFFAOYSA-N -1 0 333.391 3.453 20 30 EGEDRM N#Cc1ccncc1[N-]S(=O)(=O)c1ccc(-c2cccs2)cc1 ZINC001194142777 1368191291 /nfs/dbraw/zinc/19/12/91/1368191291.db2.gz YGQZGYWNFFESCI-UHFFFAOYSA-N -1 0 341.417 3.483 20 30 EGEDRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1ccc(C#N)c(C#N)c1 ZINC001195309970 1368418805 /nfs/dbraw/zinc/41/88/05/1368418805.db2.gz QVQURSOYZNUVCV-UHFFFAOYSA-N -1 0 331.784 3.193 20 30 EGEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1c(C)cccc1Cl ZINC001195317186 1368419760 /nfs/dbraw/zinc/41/97/60/1368419760.db2.gz POHGWYFHAZVVTM-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM COc1cc(C)c(S(=O)(=O)[N-]c2scc(C)c2C#N)c(C)c1 ZINC001196843200 1368696543 /nfs/dbraw/zinc/69/65/43/1368696543.db2.gz PCVFFDVDFLYZIX-UHFFFAOYSA-N -1 0 336.438 3.354 20 30 EGEDRM C=CCCN(Cc1ccccc1)S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198761856 1369107735 /nfs/dbraw/zinc/10/77/35/1369107735.db2.gz XRIDTISXQRIQSX-UHFFFAOYSA-N -1 0 345.420 3.152 20 30 EGEDRM N#Cc1nc(Cl)ccc1[N-]S(=O)(=O)c1ccc2occc2c1 ZINC001198819056 1369121102 /nfs/dbraw/zinc/12/11/02/1369121102.db2.gz XULFSDLUNCYQFY-UHFFFAOYSA-N -1 0 333.756 3.154 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)no2)cc1C#N ZINC001201292791 1369512388 /nfs/dbraw/zinc/51/23/88/1369512388.db2.gz MTXSQUBRFFZGLL-UHFFFAOYSA-N -1 0 339.376 3.323 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C#N)cc1C#N ZINC001201319771 1369518486 /nfs/dbraw/zinc/51/84/86/1369518486.db2.gz JBDQHYLRRKGERJ-UHFFFAOYSA-N -1 0 331.784 3.193 20 30 EGEDRM COC(=O)c1cc(C#N)cc(C)c1Nc1ccc(C(=O)[O-])cc1F ZINC001203298620 1370070711 /nfs/dbraw/zinc/07/07/11/1370070711.db2.gz CEJHSZRFRKVRNR-UHFFFAOYSA-N -1 0 328.299 3.234 20 30 EGEDRM CCOC(=O)c1ccc(C#N)c(-c2cc(F)c(F)c(C(=O)[O-])c2)c1 ZINC001206038575 1370946206 /nfs/dbraw/zinc/94/62/06/1370946206.db2.gz GUFLBGHFSMDNQE-UHFFFAOYSA-N -1 0 331.274 3.378 20 30 EGEDRM N#CCCN(CCC#N)Cc1cc(Cl)cc(Br)c1[O-] ZINC001119509257 1371358322 /nfs/dbraw/zinc/35/83/22/1371358322.db2.gz BTIDTMBCDFLRQB-UHFFFAOYSA-N -1 0 342.624 3.437 20 30 EGEDRM C=CCCCCN(C)S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001187571370 1388127020 /nfs/dbraw/zinc/12/70/20/1388127020.db2.gz HBSXPILBVOKNLF-UHFFFAOYSA-N -1 0 331.821 3.015 20 30 EGEDRM CCCCCCCCCCCCS(=O)(=O)[N-]c1cn(C)nn1 ZINC001187722640 1388150011 /nfs/dbraw/zinc/15/00/11/1388150011.db2.gz LTROHVHDGYKZKD-UHFFFAOYSA-N -1 0 330.498 3.478 20 30 EGEDRM CC(C)Cn1ncc(C([O-])=C(C#N)c2nccn2C)c1-c1ccccc1 ZINC001122605757 1372282301 /nfs/dbraw/zinc/28/23/01/1372282301.db2.gz BCHWXAQNFICQFY-MRXNPFEDSA-N -1 0 347.422 3.430 20 30 EGEDRM Cc1cc(Nc2ccc3ccc(S(=O)(=O)[O-])cc3c2)cnc1C#N ZINC001210205151 1372294495 /nfs/dbraw/zinc/29/44/95/1372294495.db2.gz DJPKCSRGSGRMFK-UHFFFAOYSA-N -1 0 339.376 3.405 20 30 EGEDRM CCn1cc(Cl)cc1C([O-])=C(C#N)C(=O)NCc1cccc(C)c1 ZINC001122990086 1372356293 /nfs/dbraw/zinc/35/62/93/1372356293.db2.gz VARJCZQJMCHDIH-OAHLLOKOSA-N -1 0 343.814 3.109 20 30 EGEDRM N#Cc1cc(Nc2ccc3ccc(S(=O)(=O)[O-])cc3c2)ccc1O ZINC001210532276 1372372868 /nfs/dbraw/zinc/37/28/68/1372372868.db2.gz DZAMOYKVIPBRHU-UHFFFAOYSA-N -1 0 340.360 3.407 20 30 EGEDRM C[C@H]1CC(=O)C=C(Nc2ccc3c(O)cc(S(=O)(=O)[O-])cc3c2)C1 ZINC001210772958 1372424067 /nfs/dbraw/zinc/42/40/67/1372424067.db2.gz OUNAOAQDXRFVEB-SNVBAGLBSA-N -1 0 347.392 3.087 20 30 EGEDRM N#Cc1cc(Nc2ccc(NC(=O)CCC(=O)[O-])cc2)ccc1F ZINC001213187526 1372856231 /nfs/dbraw/zinc/85/62/31/1372856231.db2.gz UDHVCWOHPXCWFT-UHFFFAOYSA-N -1 0 327.315 3.244 20 30 EGEDRM N#Cc1cc(Nc2cccc3cc(S(=O)(=O)[O-])ccc32)ccc1N ZINC001213439286 1372906945 /nfs/dbraw/zinc/90/69/45/1372906945.db2.gz YZTMSGICSMHZEP-UHFFFAOYSA-N -1 0 339.376 3.284 20 30 EGEDRM CSc1cccc(COC(=O)c2cc(C#N)c(SC)[n-]c2=O)c1 ZINC001128631061 1373299411 /nfs/dbraw/zinc/29/94/11/1373299411.db2.gz QCDTYXHOMXNBBI-UHFFFAOYSA-N -1 0 346.433 3.460 20 30 EGEDRM N#Cc1cccc(-c2noc(-c3cc([O-])c(F)cc3[N+](=O)[O-])n2)c1 ZINC001216950868 1373369363 /nfs/dbraw/zinc/36/93/63/1373369363.db2.gz HNJULTMSKRTEPA-UHFFFAOYSA-N -1 0 326.243 3.028 20 30 EGEDRM N#Cc1cc(-c2nc(-c3ccc(C(F)(F)F)cn3)no2)ccc1[O-] ZINC001216969475 1373372903 /nfs/dbraw/zinc/37/29/03/1373372903.db2.gz GHVQANCHWJMMOP-UHFFFAOYSA-N -1 0 332.241 3.395 20 30 EGEDRM N#Cc1cccc(-c2noc(-c3cc4ccc([O-])cc4oc3=O)n2)c1 ZINC001217438406 1373444225 /nfs/dbraw/zinc/44/42/25/1373444225.db2.gz JHUXPLKUJHHAPL-UHFFFAOYSA-N -1 0 331.287 3.087 20 30 EGEDRM N#Cc1ccc(-c2noc(-c3cc(=O)c4cc(Cl)ccc4[n-]3)n2)nc1 ZINC001217443518 1373445419 /nfs/dbraw/zinc/44/54/19/1373445419.db2.gz ADAZUOFGWFOCKT-UHFFFAOYSA-N -1 0 349.737 3.165 20 30 EGEDRM N#Cc1cccc2c(=O)cc(-c3nc(-c4ccccc4F)no3)[n-]c12 ZINC001217503487 1373455810 /nfs/dbraw/zinc/45/58/10/1373455810.db2.gz LKXHOJXFMHRGAF-UHFFFAOYSA-N -1 0 332.294 3.256 20 30 EGEDRM N#Cc1cccc2c(=O)cc(-c3nc(-c4cccc(F)c4)no3)[n-]c12 ZINC001217503386 1373456090 /nfs/dbraw/zinc/45/60/90/1373456090.db2.gz IERDZMUOKMINBF-UHFFFAOYSA-N -1 0 332.294 3.256 20 30 EGEDRM C=C1CC=C(F)C=C1NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC001188335216 1388292567 /nfs/dbraw/zinc/29/25/67/1388292567.db2.gz OOWFBPGYKJUYIK-UHFFFAOYSA-N -1 0 343.763 3.014 20 30 EGEDRM COc1ccc(OC)c(NC(=O)Nc2cc(C#N)c(F)cc2[O-])c1 ZINC001188349494 1388295219 /nfs/dbraw/zinc/29/52/19/1388295219.db2.gz FSQJQVQRZVVAQX-UHFFFAOYSA-N -1 0 331.303 3.064 20 30 EGEDRM C=C[C@]1(C)CC[C@H](Oc2[nH]c(=O)ncc2C(F)(F)F)C(C)(C)O1 ZINC001225576846 1375126671 /nfs/dbraw/zinc/12/66/71/1375126671.db2.gz NOXATGVOSUVYPY-IINYFYTJSA-N -1 0 332.322 3.482 20 30 EGEDRM C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ccc(-c2ccccc2)cc1 ZINC001227409672 1375427803 /nfs/dbraw/zinc/42/78/03/1375427803.db2.gz MLFUWJIBXPZGTQ-GOSISDBHSA-N -1 0 348.420 3.191 20 30 EGEDRM C=C[C@@H](C#CC(C)(C)C)Oc1cc([O-])c(C(=O)OC)cc1[N+](=O)[O-] ZINC001228814376 1375686882 /nfs/dbraw/zinc/68/68/82/1375686882.db2.gz MFHXMWPAYIAFKG-NSHDSACASA-N -1 0 333.340 3.070 20 30 EGEDRM C[C@@H](Oc1[n-]c(=O)ccc1C#N)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001228898223 1375708342 /nfs/dbraw/zinc/70/83/42/1375708342.db2.gz DEVPYQRTZCVBCI-GFCCVEGCSA-N -1 0 347.415 3.073 20 30 EGEDRM CCC1=C(Oc2cccc3c2cccc3S(=O)(=O)[O-])C(=O)[C@H](C)O1 ZINC001229354903 1375816656 /nfs/dbraw/zinc/81/66/56/1375816656.db2.gz ANSGELHJWKREJF-JTQLQIEISA-N -1 0 348.376 3.075 20 30 EGEDRM CCCCCCCOc1ccc(OC(=O)[C@H](O)CCC(=O)[O-])cc1 ZINC001229383878 1375823702 /nfs/dbraw/zinc/82/37/02/1375823702.db2.gz UVVYUJIBXPJZOB-MRXNPFEDSA-N -1 0 338.400 3.167 20 30 EGEDRM C=CCOc1ccccc1[C@H](C)Oc1nc(C)[n-]c(=O)c1[N+](=O)[O-] ZINC001229382597 1375823711 /nfs/dbraw/zinc/82/37/11/1375823711.db2.gz VAGHZIYKXWAHEL-JTQLQIEISA-N -1 0 331.328 3.104 20 30 EGEDRM C=C1O[C@@H](C)C(=O)C1Oc1ccc2c(c1)oc(=O)c1cc([O-])ccc21 ZINC001229798358 1375895450 /nfs/dbraw/zinc/89/54/50/1375895450.db2.gz WQGGKJUWWDXZQF-VIFPVBQESA-N -1 0 338.315 3.250 20 30 EGEDRM CCOc1ccc(C)cc1NC(=O)c1cc(=O)c2cc(C#N)ccc2[n-]1 ZINC001154555387 1380304940 /nfs/dbraw/zinc/30/49/40/1380304940.db2.gz DCFXAGMBNUMYKX-UHFFFAOYSA-N -1 0 347.374 3.359 20 30 EGEDRM N=C(Nc1ncc(Cl)cc1C(=O)[O-])c1ccc2cc(O)ccc2c1 ZINC001171184218 1384462817 /nfs/dbraw/zinc/46/28/17/1384462817.db2.gz DYUMAXMCEHVOGL-UHFFFAOYSA-N -1 0 341.754 3.329 20 30 EGEDRM COC(=O)c1sc(Nc2ccc(C(=O)[O-])c(F)c2)c(C#N)c1C ZINC001175154923 1385206582 /nfs/dbraw/zinc/20/65/82/1385206582.db2.gz YOXTYGBRYJQDQT-UHFFFAOYSA-N -1 0 334.328 3.296 20 30 EGEDRM CCOC(=O)COc1ccc(/C=C/C(=O)c2ccc([O-])c(F)c2)cc1 ZINC001319400636 1386104631 /nfs/dbraw/zinc/10/46/31/1386104631.db2.gz LILKHQHFUUDBHE-WEVVVXLNSA-N -1 0 344.338 3.369 20 30 EGEDRM C=CCSc1ccccc1C(=O)OCC(=O)c1ccc(O)cc1O ZINC001320454738 1386613949 /nfs/dbraw/zinc/61/39/49/1386613949.db2.gz QHTFMUMDWVAWJM-UHFFFAOYSA-N -1 0 344.388 3.416 20 30 EGEDRM C=CC[C@H](NC(=O)Nc1ccc(SC(F)(F)F)cc1)C(=O)[O-] ZINC001321112733 1386812879 /nfs/dbraw/zinc/81/28/79/1386812879.db2.gz ZLSBXRBWMFBYRU-JTQLQIEISA-N -1 0 334.319 3.449 20 30 EGEDRM C=CC[C@@H](NC(=O)Cc1csc(-c2ccc(CC)cc2)n1)C(=O)[O-] ZINC001321339459 1386880205 /nfs/dbraw/zinc/88/02/05/1386880205.db2.gz ODABNZBYWHTVER-OAHLLOKOSA-N -1 0 344.436 3.061 20 30 EGEDRM C[C@@H]1C[C@@H](CC(=O)[N-]S(=O)(=O)c2ccccc2C#N)CC(C)(C)C1 ZINC001321475281 1386912611 /nfs/dbraw/zinc/91/26/11/1386912611.db2.gz VCGPWWRQPMJXOE-KGLIPLIRSA-N -1 0 348.468 3.216 20 30 EGEDRM COc1ccc(CCCC(=O)Nc2cc(C#N)c(F)cc2[O-])cc1 ZINC001181216209 1386961390 /nfs/dbraw/zinc/96/13/90/1386961390.db2.gz PZDGGIOFHAZULJ-UHFFFAOYSA-N -1 0 328.343 3.373 20 30 EGEDRM C=CC[C@H](NC(=O)[C@@H](CC)c1ccc(Br)cc1)C(=O)[O-] ZINC001329215013 1389023991 /nfs/dbraw/zinc/02/39/91/1389023991.db2.gz MDYULBDAMWEVCP-STQMWFEESA-N -1 0 340.217 3.088 20 30 EGEDRM C=CC[C@H](NC(=O)NC[C@@H](C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001330816297 1389535809 /nfs/dbraw/zinc/53/58/09/1389535809.db2.gz CSMCJBFYDAYJSU-MFKMUULPSA-N -1 0 344.333 3.137 20 30 EGEDRM C=CC[C@@H](NC(=O)c1ccc(OCCCC)cc1Cl)C(=O)[O-] ZINC001339523699 1390055318 /nfs/dbraw/zinc/05/53/18/1390055318.db2.gz LUONZCRXOGUHEY-CQSZACIVSA-N -1 0 325.792 3.278 20 30 EGEDRM C=CC[C@H](NC(=O)c1cc(C)n(-c2ccccc2C)c1C)C(=O)[O-] ZINC001339865505 1390178669 /nfs/dbraw/zinc/17/86/69/1390178669.db2.gz WTZATSBSFCWXAP-INIZCTEOSA-N -1 0 326.396 3.162 20 30 EGEDRM C=CC[C@@H](NC(=O)N1CCCC[C@@H]1CCC(=O)[O-])c1ccncc1 ZINC001340476629 1390294711 /nfs/dbraw/zinc/29/47/11/1390294711.db2.gz IOYKOXXXPUHZID-HZPDHXFCSA-N -1 0 331.416 3.128 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cc2ccccc2n1CC ZINC001342521849 1390621761 /nfs/dbraw/zinc/62/17/61/1390621761.db2.gz SUBBFOPVOXFACN-OAHLLOKOSA-N -1 0 325.412 3.290 20 30 EGEDRM Cc1cc(C(C#N)=C([O-])c2oc(C3CC3)nc2C(F)F)nc(C)n1 ZINC001343575672 1390723871 /nfs/dbraw/zinc/72/38/71/1390723871.db2.gz IGRRCVVHTDQTRU-JTQLQIEISA-N -1 0 332.310 3.387 20 30 EGEDRM C=C(C)Cn1c(-c2c[n-]n(CC)c2=O)nnc1N1CCCC[C@H](C)C1 ZINC001343966596 1390747142 /nfs/dbraw/zinc/74/71/42/1390747142.db2.gz NGNIKRFNWHMFIK-AWEZNQCLSA-N -1 0 344.463 3.070 20 30 EGEDRM C=CCC[C@H]1CCCN1C(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC001346349064 1390924474 /nfs/dbraw/zinc/92/44/74/1390924474.db2.gz HCUBALIYFYKZAJ-INIZCTEOSA-N -1 0 331.412 3.338 20 30 EGEDRM C[C@H]1CCc2nc(C=NNc3ccc(CC(=O)[O-])cc3)sc2C1 ZINC001349823441 1391372182 /nfs/dbraw/zinc/37/21/82/1391372182.db2.gz MJLFXNPKFBMMNE-NSHDSACASA-N -1 0 329.425 3.341 20 30 EGEDRM CC(C)(C#N)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735571455 1428276028 /nfs/dbraw/zinc/27/60/28/1428276028.db2.gz DJMZTBLIKDCFBD-UHFFFAOYSA-N -1 0 348.366 3.147 20 30 EGEDRM Cc1ccsc1C(C)N=Nc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000735451350 1428846065 /nfs/dbraw/zinc/84/60/65/1428846065.db2.gz YJOQTUDQUFVZHT-UHFFFAOYSA-N -1 0 331.405 3.184 20 30 EGEDRM C[C@@H](NN=C1CCCc2cc(-c3nn[n-]n3)ccc21)c1ccccc1 ZINC000820438684 1424539022 /nfs/dbraw/zinc/53/90/22/1424539022.db2.gz USZDYZVREIJEAJ-CYBMUJFWSA-N -1 0 332.411 3.258 20 30 EGEDRM O=C(C=Cc1cncc2ccccc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000822935832 1424920211 /nfs/dbraw/zinc/92/02/11/1424920211.db2.gz OSLJKEAWTCGOCA-KTKRTIGZSA-N -1 0 327.347 3.311 20 30 EGEDRM N#CCOc1ccc(COc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000737697803 1424960818 /nfs/dbraw/zinc/96/08/18/1424960818.db2.gz NFJIDDRQLBQHNW-UHFFFAOYSA-N -1 0 341.758 3.001 20 30 EGEDRM N#CCCCOc1cccc(NCc2cc(-c3nn[n-]n3)cs2)c1 ZINC000822806040 1425311361 /nfs/dbraw/zinc/31/13/61/1425311361.db2.gz IGWKAHWRQNUJSM-UHFFFAOYSA-N -1 0 340.412 3.223 20 30 EGEDRM CC(=NNc1cc(-c2nn[n-]n2)cc(Cl)n1)c1cccc(Cl)c1 ZINC000823958831 1425567563 /nfs/dbraw/zinc/56/75/63/1425567563.db2.gz YIDQXHUICBJZBB-UHFFFAOYSA-N -1 0 348.197 3.405 20 30 EGEDRM CC(C)c1ncc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000820206580 1426475280 /nfs/dbraw/zinc/47/52/80/1426475280.db2.gz RBQRJXOGZWTIHF-BQYQJAHWSA-N -1 0 325.397 3.343 20 30 EGEDRM C[C@H]1CCC[C@@H](CCSc2nc(N)c(-c3nn[n-]n3)cc2C#N)C1 ZINC000820697110 1426510574 /nfs/dbraw/zinc/51/05/74/1426510574.db2.gz DXLXOAACINJGCG-QWRGUYRKSA-N -1 0 343.460 3.024 20 30 EGEDRM CCC[C@H](C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736417717 1426587946 /nfs/dbraw/zinc/58/79/46/1426587946.db2.gz VFOQXVVSYGLOGD-INIZCTEOSA-N -1 0 346.394 3.261 20 30 EGEDRM Cc1cc(F)ccc1C(=O)C=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000822204409 1427121846 /nfs/dbraw/zinc/12/18/46/1427121846.db2.gz OCRMNOFZVZSMHF-QPJJXVBHSA-N -1 0 326.306 3.349 20 30 EGEDRM N#Cc1ccccc1SCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000822842637 1427573965 /nfs/dbraw/zinc/57/39/65/1427573965.db2.gz RKQJKCLRKHAFSY-UHFFFAOYSA-N -1 0 337.408 3.300 20 30 EGEDRM COc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1-c1nn[n-]n1 ZINC000737081630 1428074776 /nfs/dbraw/zinc/07/47/76/1428074776.db2.gz QDPQCZZLZNFHGG-QHHAFSJGSA-N -1 0 342.305 3.050 20 30 EGEDRM O=C(C=Cc1cccc2cnccc12)c1ccc(-c2nn[n-]n2)cc1F ZINC000826401470 1429936113 /nfs/dbraw/zinc/93/61/13/1429936113.db2.gz ZUPXGLUDYMAWCF-ALCCZGGFSA-N -1 0 345.337 3.450 20 30 EGEDRM Cc1c(Cl)cnc(N[C@@H](C)c2cccc(C#N)c2)c1-c1nn[n-]n1 ZINC000826238424 1430231123 /nfs/dbraw/zinc/23/11/23/1430231123.db2.gz GCNQPZNTYVVNIW-JTQLQIEISA-N -1 0 339.790 3.268 20 30 EGEDRM CC[N@H+](Cc1cc(-c2nnn[n-]2)cs1)[C@@H](C)c1ccc(C#N)cc1 ZINC000825428288 1441923842 /nfs/dbraw/zinc/92/38/42/1441923842.db2.gz IFSRSZTYPXXUML-LBPRGKRZSA-N -1 0 338.440 3.383 20 30 EGEDRM CCC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccccc1F ZINC000825028414 1441980422 /nfs/dbraw/zinc/98/04/22/1441980422.db2.gz IBBCQFGUCCRGHY-UHFFFAOYSA-N -1 0 345.769 3.280 20 30 EGEDRM C(=NNc1ccc(-c2nn[n-]n2)cc1)c1cccc(-c2ccccn2)c1 ZINC000823861345 1441985250 /nfs/dbraw/zinc/98/52/50/1441985250.db2.gz FIRSRSIEPKAIDI-UHFFFAOYSA-N -1 0 341.378 3.375 20 30 EGEDRM COc1ccc(Cl)cc1C=CC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000826208623 1442328868 /nfs/dbraw/zinc/32/88/68/1442328868.db2.gz SJHPRPBNSCXOJB-DUXPYHPUSA-N -1 0 346.799 3.486 20 30 EGEDRM Cc1ccccc1C(=NNCc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000822345603 1442427414 /nfs/dbraw/zinc/42/74/14/1442427414.db2.gz LVXTWVFERDGHRV-UHFFFAOYSA-N -1 0 332.411 3.079 20 30 EGEDRM Cc1cc2ccccc2nc1NN=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000826272965 1443079828 /nfs/dbraw/zinc/07/98/28/1443079828.db2.gz JCTJCFGWROYBEJ-UHFFFAOYSA-N -1 0 347.357 3.308 20 30 EGEDRM CCCC[C@@H](CC)CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000736438108 1443098739 /nfs/dbraw/zinc/09/87/39/1443098739.db2.gz LSHXYABBINGNQQ-GFCCVEGCSA-N -1 0 326.404 3.283 20 30 EGEDRM O=C1c2ccccc2SCC1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826475587 1443197752 /nfs/dbraw/zinc/19/77/52/1443197752.db2.gz KKMPMXXMSIXQEQ-YRNVUSSQSA-N -1 0 338.367 3.378 20 30 EGEDRM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1c(F)cccc1F ZINC000823498392 1443428361 /nfs/dbraw/zinc/42/83/61/1443428361.db2.gz NMQLLODBYARSLR-PKNBQFBNSA-N -1 0 338.317 3.357 20 30 EGEDRM C=C[C@@H](CC(=O)N(C)c1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000823882607 1443946767 /nfs/dbraw/zinc/94/67/67/1443946767.db2.gz AJXJVLUAJZVANX-AWEZNQCLSA-N -1 0 333.395 3.189 20 30 EGEDRM O=C1c2cc(Cl)ccc2OC1=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000823503500 1444008457 /nfs/dbraw/zinc/00/84/57/1444008457.db2.gz FVDBAJMOKFHGAJ-MKMNVTDBSA-N -1 0 342.717 3.275 20 30 EGEDRM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1ccc(Cl)nc1 ZINC000823504769 1446119013 /nfs/dbraw/zinc/11/90/13/1446119013.db2.gz ULJJYLNXECYLPG-GHXNOFRVSA-N -1 0 337.770 3.128 20 30 EGEDRM Cc1nc(-c2nn[n-]n2)c(N=NC[C@H](C)c2cccc(Cl)c2)o1 ZINC000826322763 1446520419 /nfs/dbraw/zinc/52/04/19/1446520419.db2.gz ANGMGXWNWLCPOW-QMMMGPOBSA-N -1 0 331.767 3.018 20 30 EGEDRM O=C1c2cc(Cl)ccc2CC1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826476023 1446958376 /nfs/dbraw/zinc/95/83/76/1446958376.db2.gz ZCIAYDJXGNFLFL-VZUCSPMQSA-N -1 0 340.745 3.482 20 30 EGEDRM C=CCCCCCN(C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000735407984 1447309654 /nfs/dbraw/zinc/30/96/54/1447309654.db2.gz CTWUVEYDARBMMD-UHFFFAOYSA-N -1 0 344.419 3.085 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC001602691272 971294272 /nfs/dbraw/zinc/29/42/72/971294272.db2.gz DQZHCHJOBZRSAQ-UHFFFAOYSA-N -1 0 345.439 3.147 20 30 EGEDRM C=CCn1c(S[C@@H](CC)C(=O)[O-])nnc1-c1ccc(OC)cc1 ZINC001602730821 971409320 /nfs/dbraw/zinc/40/93/20/971409320.db2.gz DMXJAZVFCRLDPD-ZDUSSCGKSA-N -1 0 333.413 3.095 20 30 EGEDRM CCN(C(=O)/C=C\c1ccc(C(=O)[O-])o1)[C@@H](C)c1ccc(C#N)cc1 ZINC001589700859 950238953 /nfs/dbraw/zinc/23/89/53/950238953.db2.gz YWVPTSMILMOEMQ-FUWURINLSA-N -1 0 338.363 3.472 20 30 EGEDRM CC[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)C(=O)[O-] ZINC001593619403 953521431 /nfs/dbraw/zinc/52/14/31/953521431.db2.gz RYXLYIQZNZHUDQ-HNNXBMFYSA-N -1 0 339.351 3.335 20 30 EGEDRM C[C@H]1CCc2c(sc(NC(=O)c3cc(C#N)ccn3)c2C(=O)[O-])C1 ZINC001589364707 954180380 /nfs/dbraw/zinc/18/03/80/954180380.db2.gz XWHKOYZAZCUMRC-VIFPVBQESA-N -1 0 341.392 3.090 20 30 EGEDRM C[C@H]1CCc2nc(NC(=O)c3cccc(C(=O)[O-])c3)c(C#N)cc2C1 ZINC001589365224 954185479 /nfs/dbraw/zinc/18/54/79/954185479.db2.gz JOYNXBUKHRPDPE-NSHDSACASA-N -1 0 335.363 3.029 20 30 EGEDRM C[C@H](NC(=O)Nc1cccc(CCC(=O)[O-])c1)c1ccc(C#N)cc1 ZINC001589107958 956035499 /nfs/dbraw/zinc/03/54/99/956035499.db2.gz AJZAXONFFFOPNJ-ZDUSSCGKSA-N -1 0 337.379 3.458 20 30 EGEDRM N#CC1(C(=O)Nc2cc(C(=O)[O-])ccc2Br)CCCC1 ZINC001594600968 956129072 /nfs/dbraw/zinc/12/90/72/956129072.db2.gz FOGMDDPQEGSBHK-UHFFFAOYSA-N -1 0 337.173 3.170 20 30 EGEDRM N#C[C@H](NC(=O)C1(CC(=O)[O-])CCC1)c1cccc(Cl)c1Cl ZINC001594602551 956147963 /nfs/dbraw/zinc/14/79/63/956147963.db2.gz XQABMYUGBPDYGQ-NSHDSACASA-N -1 0 341.194 3.319 20 30 EGEDRM N#CCCN(C(=O)CCCCC(=O)[O-])C12CC3CC(CC(C3)C1)C2 ZINC001594609020 956188736 /nfs/dbraw/zinc/18/87/36/956188736.db2.gz JHCXNNJLQNLAIU-UHFFFAOYSA-N -1 0 332.444 3.342 20 30 EGEDRM N#Cc1ccc(Cl)c(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)c1 ZINC001594619516 956268040 /nfs/dbraw/zinc/26/80/40/956268040.db2.gz DUPWFHYPTGBVNR-CQDKDKBSSA-N -1 0 332.787 3.070 20 30 EGEDRM N#CCCc1ccc(NC(=O)N2CCCC[C@@H]2CCC(=O)[O-])cc1 ZINC000899318518 956287717 /nfs/dbraw/zinc/28/77/17/956287717.db2.gz UWUQZBOVIRYSQM-MRXNPFEDSA-N -1 0 329.400 3.394 20 30 EGEDRM N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001594626714 956319558 /nfs/dbraw/zinc/31/95/58/956319558.db2.gz FXAALQNQVDGRBF-CXOKCQFOSA-N -1 0 336.347 3.056 20 30 EGEDRM CC(C)c1ccc(C[C@H]2CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C2)cc1 ZINC001603100617 972177023 /nfs/dbraw/zinc/17/70/23/972177023.db2.gz XIOWVSLZFFSGHP-OXQOHEQNSA-N -1 0 342.439 3.206 20 30 EGEDRM C[C@H](S[C@@H](C)C(=O)C=C1N(C)c2ccccc2C1(C)C)C(=O)[O-] ZINC001589168896 956449344 /nfs/dbraw/zinc/44/93/44/956449344.db2.gz TVEZUVLDTHTWOO-ATARQRRYSA-N -1 0 333.453 3.462 20 30 EGEDRM COc1ccc(/C=C/C(=O)c2ccc(OCC(=O)[O-])cc2)cc1F ZINC000007909490 956883835 /nfs/dbraw/zinc/88/38/35/956883835.db2.gz TYFHIGDBARXIEP-KRXBUXKQSA-N -1 0 330.311 3.194 20 30 EGEDRM C=CCOc1ccc(CNC(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC001121899681 957226858 /nfs/dbraw/zinc/22/68/58/957226858.db2.gz DPGUNOSJDRYKEG-MRXNPFEDSA-N -1 0 346.427 3.038 20 30 EGEDRM Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@H](C)CC(=O)[O-])cc1 ZINC001594274039 957700680 /nfs/dbraw/zinc/70/06/80/957700680.db2.gz MGIKKOLSSQCRSY-CYBMUJFWSA-N -1 0 338.363 3.252 20 30 EGEDRM Cc1cc(NC(=O)c2ccn(-c3cccc(C#N)c3)n2)ccc1C(=O)[O-] ZINC001594325065 958158578 /nfs/dbraw/zinc/15/85/78/958158578.db2.gz WEDNOYKHUIYSGQ-UHFFFAOYSA-N -1 0 346.346 3.003 20 30 EGEDRM C[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])C1(c2ccccc2)CCCC1 ZINC001603216705 972331550 /nfs/dbraw/zinc/33/15/50/972331550.db2.gz VHWIVOHVDZLVIA-KSSFIOAISA-N -1 0 328.412 3.008 20 30 EGEDRM C#Cc1cccc(N(Cc2ccco2)C(=O)CCCCC(=O)[O-])c1 ZINC001588438850 958306112 /nfs/dbraw/zinc/30/61/12/958306112.db2.gz FGGOQFRHEZTSEC-UHFFFAOYSA-N -1 0 325.364 3.439 20 30 EGEDRM C#Cc1cccc(N(Cc2cccs2)C(=O)[C@@H]2CC[C@H]2C(=O)[O-])c1 ZINC001588439790 958322558 /nfs/dbraw/zinc/32/25/58/958322558.db2.gz SGCYMPCYPBPZTD-IAGOWNOFSA-N -1 0 339.416 3.373 20 30 EGEDRM C=C[C@H](CC(=O)N[C@@H](C(=O)[O-])c1ccc(F)cc1)c1ccccc1 ZINC001588451172 958406497 /nfs/dbraw/zinc/40/64/97/958406497.db2.gz OFNPUDDXAKTWLA-FZKQIMNGSA-N -1 0 327.355 3.428 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)Nc1ccccc1Oc1cccc(C)c1 ZINC001573317228 958447974 /nfs/dbraw/zinc/44/79/74/958447974.db2.gz DCZSEVJULQADAX-UHFFFAOYSA-N -1 0 338.363 3.339 20 30 EGEDRM C=CCn1c(-c2cccc(Cl)c2)nnc1N1CCC(C(=O)[O-])CC1 ZINC001588470468 958527990 /nfs/dbraw/zinc/52/79/90/958527990.db2.gz OECUDSYVXYWDKP-UHFFFAOYSA-N -1 0 346.818 3.086 20 30 EGEDRM Cc1cccc(C(=O)[O-])c1NC(=O)c1cc2ccccc2n1CC#N ZINC001594390985 958719190 /nfs/dbraw/zinc/71/91/90/958719190.db2.gz MNTZLDWEQUAMIB-UHFFFAOYSA-N -1 0 333.347 3.424 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc([C@@H](F)C(F)(F)F)cc1 ZINC001588541962 958967326 /nfs/dbraw/zinc/96/73/26/958967326.db2.gz OUAKEEMYVANTDW-YPMHNXCESA-N -1 0 332.253 3.203 20 30 EGEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001573554829 959248092 /nfs/dbraw/zinc/24/80/92/959248092.db2.gz HMLDASRJGNPKMK-XQRVVYSFSA-N -1 0 340.335 3.289 20 30 EGEDRM C[C@H](C(=O)[O-])c1noc(-c2cccc(OCc3ccccc3C#N)c2)n1 ZINC001588602756 959448029 /nfs/dbraw/zinc/44/80/29/959448029.db2.gz LFOULKNNXZEZTQ-LBPRGKRZSA-N -1 0 349.346 3.375 20 30 EGEDRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)Nc1sc2c(c1C#N)CCCCCC2 ZINC001594231295 959472769 /nfs/dbraw/zinc/47/27/69/959472769.db2.gz NOAHWKPWVGJXOV-QGHHPUGFSA-N -1 0 332.425 3.328 20 30 EGEDRM C[C@](NC(=O)c1cccc(SCC#N)c1)(C(=O)[O-])c1ccccc1 ZINC001573625734 959539482 /nfs/dbraw/zinc/53/94/82/959539482.db2.gz UEBOLTSNAPRFCW-GOSISDBHSA-N -1 0 340.404 3.032 20 30 EGEDRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)Nc1sc2c(c1C#N)C[C@@H](C)C[C@H]2C ZINC001573745805 960490752 /nfs/dbraw/zinc/49/07/52/960490752.db2.gz GSLCIWNTGLKURJ-QTIJHVDKSA-N -1 0 332.425 3.355 20 30 EGEDRM C=CCO[C@@H]1CCN([C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C1 ZINC001326547380 961107006 /nfs/dbraw/zinc/10/70/06/961107006.db2.gz NIVZIAQVARFWJE-RISCZKNCSA-N -1 0 330.211 3.396 20 30 EGEDRM N#Cc1cc(C(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])ccc1Cl ZINC001574478956 961644925 /nfs/dbraw/zinc/64/49/25/961644925.db2.gz AEEINNBZQXKEPH-MRXNPFEDSA-N -1 0 340.766 3.036 20 30 EGEDRM N#Cc1cccc(-c2csc(NC(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)n2)c1 ZINC001574488537 961695685 /nfs/dbraw/zinc/69/56/85/961695685.db2.gz BGOHDKLKLSKWNT-QWHCGFSZSA-N -1 0 341.392 3.121 20 30 EGEDRM N#Cc1cccc2[nH]cc(C(=O)N[C@@H]3C[C@H](C(=O)[O-])c4ccccc43)c21 ZINC001574489670 961706206 /nfs/dbraw/zinc/70/62/06/961706206.db2.gz MARSGZGIGZPIFL-WMLDXEAASA-N -1 0 345.358 3.083 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1cccc(COCc2ccco2)c1 ZINC001573337975 962870027 /nfs/dbraw/zinc/87/00/27/962870027.db2.gz UYJHXLAVONNXJK-UHFFFAOYSA-N -1 0 329.352 3.356 20 30 EGEDRM C=C1CCC(C(=O)N2CCN(c3ccc(C(=O)[O-])cc3)C[C@@H]2C)CC1 ZINC001573344268 962915281 /nfs/dbraw/zinc/91/52/81/962915281.db2.gz QTSRKABVRSYIHC-HNNXBMFYSA-N -1 0 342.439 3.168 20 30 EGEDRM C=C[C@@H](CC)CC(=O)N[C@H](C(=O)[O-])c1ccccc1OC(F)(F)F ZINC001573347284 962947212 /nfs/dbraw/zinc/94/72/12/962947212.db2.gz KJSKIHXSZCUJDP-HZMBPMFUSA-N -1 0 345.317 3.429 20 30 EGEDRM C=CC1(CC(=O)Nc2nnc(CCCC(=O)[O-])s2)CCCCC1 ZINC001573351001 962974506 /nfs/dbraw/zinc/97/45/06/962974506.db2.gz ORFLOPIWVQLYRM-UHFFFAOYSA-N -1 0 337.445 3.411 20 30 EGEDRM C=CC[C@H]1CCCC[C@H]1NS(=O)(=O)CC1(C(=O)[O-])CCCCC1 ZINC001573352906 962994489 /nfs/dbraw/zinc/99/44/89/962994489.db2.gz MSEABMQXGAWVBG-LSDHHAIUSA-N -1 0 343.489 3.076 20 30 EGEDRM C=CCCC[C@H](NC(=O)CCOc1ccc(Cl)c(F)c1)C(=O)[O-] ZINC001573356424 963006695 /nfs/dbraw/zinc/00/66/95/963006695.db2.gz BQAQDMUJJYQTBE-AWEZNQCLSA-N -1 0 343.782 3.174 20 30 EGEDRM C=CCCOCCNC(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC001573360195 963033480 /nfs/dbraw/zinc/03/34/80/963033480.db2.gz JWPRVNYWDDIFDZ-UHFFFAOYSA-N -1 0 328.368 3.252 20 30 EGEDRM C=CCCCN(CC)S(=O)(=O)c1ccc(NC(=O)[O-])c(Cl)c1 ZINC001573367212 963064554 /nfs/dbraw/zinc/06/45/54/963064554.db2.gz SSTDXSRPQCCRNK-UHFFFAOYSA-N -1 0 346.836 3.407 20 30 EGEDRM C=CCN(CCc1ccccc1)C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001573369313 963094722 /nfs/dbraw/zinc/09/47/22/963094722.db2.gz XXBCSBKSZVBIPF-PKNBQFBNSA-N -1 0 325.364 3.248 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@@H]1C[C@H]1C(F)(F)F ZINC001573378311 963105484 /nfs/dbraw/zinc/10/54/84/963105484.db2.gz IWGYIJPUCJQDPT-GHMZBOCLSA-N -1 0 344.285 3.226 20 30 EGEDRM C#C[C@H](CCC)NC(=O)Nc1cc(C(=O)[O-])ccc1Br ZINC000230014598 967723393 /nfs/dbraw/zinc/72/33/93/967723393.db2.gz QANJHQLXVIGPKC-SNVBAGLBSA-N -1 0 339.189 3.071 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCc2ccc(-c3ccccc3)cc21 ZINC001609693087 970453764 /nfs/dbraw/zinc/45/37/64/970453764.db2.gz ULPRMHJFKCQQLO-GHTZIAJQSA-N -1 0 348.402 3.462 20 30 EGEDRM Cc1cc(C(=O)[O-])cc(C(=O)Nc2nc3c(cc2C#N)C[C@@H](C)CC3)c1 ZINC001605141206 972818491 /nfs/dbraw/zinc/81/84/91/972818491.db2.gz RZJSXIILGANGMH-NSHDSACASA-N -1 0 349.390 3.337 20 30 EGEDRM Cc1cc(F)c(C#N)cc1NC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001605178681 972887892 /nfs/dbraw/zinc/88/78/92/972887892.db2.gz CAUSXMGFWMESNZ-WCFLWFBJSA-N -1 0 347.390 3.263 20 30 EGEDRM N#CCCc1ccc(NC(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC001605585839 973877268 /nfs/dbraw/zinc/87/72/68/973877268.db2.gz JXVUKDHHYXEEIH-OAHLLOKOSA-N -1 0 329.400 3.251 20 30 EGEDRM O=C([O-])c1ccccc1C1CCN(C(=O)C#Cc2cccs2)CC1 ZINC001606517425 974011864 /nfs/dbraw/zinc/01/18/64/974011864.db2.gz OCLLQWDYSQJFKM-UHFFFAOYSA-N -1 0 339.416 3.204 20 30 EGEDRM CCCN(C(=O)c1coc(/C=C\C(=O)[O-])c1)c1snc(C)c1C#N ZINC001603654724 974022261 /nfs/dbraw/zinc/02/22/61/974022261.db2.gz DDPKQKCOPDHGHC-PLNGDYQASA-N -1 0 345.380 3.071 20 30 EGEDRM CC(C)Nc1nnc(SCc2cccc(C(=O)[O-])c2C#N)s1 ZINC001591672561 975437072 /nfs/dbraw/zinc/43/70/72/975437072.db2.gz ZRYQLOZEXYBPNF-UHFFFAOYSA-N -1 0 334.426 3.221 20 30 EGEDRM CC(C)Oc1ccc(NC(=O)N(C)CC(C)(C)C#N)c(C(=O)[O-])c1 ZINC001591786877 975962481 /nfs/dbraw/zinc/96/24/81/975962481.db2.gz WDHBGKHYYRKLPW-UHFFFAOYSA-N -1 0 333.388 3.185 20 30 EGEDRM CC(C)Oc1ccc(NC(=O)c2cc(C#N)ccc2F)c(C(=O)[O-])c1 ZINC001591788039 975967464 /nfs/dbraw/zinc/96/74/64/975967464.db2.gz KXAFUDHTQATMRE-UHFFFAOYSA-N -1 0 342.326 3.435 20 30 EGEDRM C[C@H](CC(=O)[O-])CC(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl ZINC001592374786 977903561 /nfs/dbraw/zinc/90/35/61/977903561.db2.gz GODRDPLBVYXSGJ-KWQFWETISA-N -1 0 329.183 3.175 20 30 EGEDRM C[C@@H](CC(=O)[O-])CC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC001592394498 977945248 /nfs/dbraw/zinc/94/52/48/977945248.db2.gz IUCHSOLUNUCUOW-GFCCVEGCSA-N -1 0 339.351 3.185 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1NN=Cc1c[nH]nc1-c1ccc(C)o1 ZINC000756906262 978702616 /nfs/dbraw/zinc/70/26/16/978702616.db2.gz XIVZHKJQDSNWCP-UHFFFAOYSA-N -1 0 340.339 3.131 20 30 EGEDRM C=CCOc1ccc(/C=C/C(=O)N[C@@](C)(CC)CC(=O)[O-])cc1OC ZINC000767052963 978732604 /nfs/dbraw/zinc/73/26/04/978732604.db2.gz XGTBPDANRLWGAJ-RQMBKDMJSA-N -1 0 347.411 3.033 20 30 EGEDRM O=C([O-])c1ccc(N=NC2CCCOc3cc(Cl)ccc32)nc1 ZINC000774585418 978746736 /nfs/dbraw/zinc/74/67/36/978746736.db2.gz JCNSWIJKJBZBNW-UHFFFAOYSA-N -1 0 331.759 3.422 20 30 EGEDRM CC(N=Nc1ccc(C(=O)[O-])cn1)c1cc(Br)cs1 ZINC000782267283 978792409 /nfs/dbraw/zinc/79/24/09/978792409.db2.gz QMNHABTYDDBNIV-UHFFFAOYSA-N -1 0 340.202 3.440 20 30 EGEDRM CCc1cnccc1C(=O)/C=C\c1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000794699934 978817841 /nfs/dbraw/zinc/81/78/41/978817841.db2.gz DGSRHVKRTASLQR-XURPKSDJSA-N -1 0 325.364 3.392 20 30 EGEDRM C[C@@H](Oc1ccc(/C=C2/Oc3cc(F)cc(F)c3C2=O)cc1)C(=O)[O-] ZINC000794714009 978818409 /nfs/dbraw/zinc/81/84/09/978818409.db2.gz TVXMSPUUIGZYKV-UXWFALKESA-N -1 0 346.285 3.433 20 30 EGEDRM COc1cc2c(cc1F)C/C(=C\c1ccc(OCC(=O)[O-])cc1)C2=O ZINC000798372056 978835937 /nfs/dbraw/zinc/83/59/37/978835937.db2.gz UPACBENFKMHFBG-AWNIVKPZSA-N -1 0 342.322 3.120 20 30 EGEDRM CC[C@@H](C)n1nc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1C ZINC001595021567 979098086 /nfs/dbraw/zinc/09/80/86/979098086.db2.gz AUXRSYYRRPLHIV-BZNIZROVSA-N -1 0 341.367 3.017 20 30 EGEDRM CC(C)(CC(=O)[O-])CC(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1 ZINC000833452411 979186855 /nfs/dbraw/zinc/18/68/55/979186855.db2.gz DQQTWNJMXVIXHW-GFCCVEGCSA-N -1 0 342.317 3.277 20 30 EGEDRM C=C(C)[C@@H]1OCC[C@H]1CNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000844219797 979384001 /nfs/dbraw/zinc/38/40/01/979384001.db2.gz WPOFQFQQUWZLOW-UNLYUMJVSA-N -1 0 332.356 3.086 20 30 EGEDRM CCCCCCCC[C@H](C)C(=O)N1CC[C@@H](OC)C[C@H]1C(=O)[O-] ZINC000851622498 979555107 /nfs/dbraw/zinc/55/51/07/979555107.db2.gz BIHXTNHTPDHPSC-XHSDSOJGSA-N -1 0 327.465 3.464 20 30 EGEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC001592834691 979578498 /nfs/dbraw/zinc/57/84/98/979578498.db2.gz UYLSXEPXURPNFN-CQSZACIVSA-N -1 0 336.391 3.393 20 30 EGEDRM CC[C@](CNc1ccc(C#N)c([N+](=O)[O-])c1)(C(=O)[O-])c1ccccc1 ZINC001595172682 979744392 /nfs/dbraw/zinc/74/43/92/979744392.db2.gz LRTZPXKBEBLXTR-GOSISDBHSA-N -1 0 339.351 3.311 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1)C(=O)[O-] ZINC000864188601 979837213 /nfs/dbraw/zinc/83/72/13/979837213.db2.gz UECVHXQETLTQPT-CQSZACIVSA-N -1 0 348.399 3.183 20 30 EGEDRM C=CC1(CC(=O)N2CC[C@H](C(=O)[O-])C[C@@H]2[C@@H]2CCCO2)CCCCC1 ZINC000899545536 980229972 /nfs/dbraw/zinc/22/99/72/980229972.db2.gz AHZIZZJQQVYWGL-BBWFWOEESA-N -1 0 349.471 3.384 20 30 EGEDRM CC[C@](NC(=O)c1cccc(C#N)c1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595271017 980287674 /nfs/dbraw/zinc/28/76/74/980287674.db2.gz VZVRPNRQMZNTGR-GOSISDBHSA-N -1 0 342.782 3.332 20 30 EGEDRM C=CCCn1cc(/C=C2/CCCc3cc(C(=O)[O-])ccc3C2=O)nn1 ZINC000901523539 980344000 /nfs/dbraw/zinc/34/40/00/980344000.db2.gz FAOHZCWCLCNBNG-KAMYIIQDSA-N -1 0 337.379 3.155 20 30 EGEDRM C=C(C)[C@@H](CC(=O)NCCc1cc2ccc(C(=O)[O-])cc2o1)OCC ZINC000908222744 981283051 /nfs/dbraw/zinc/28/30/51/981283051.db2.gz XYBZTHUONAMKML-MRXNPFEDSA-N -1 0 345.395 3.161 20 30 EGEDRM C=C(C)[C@H](CC(=O)N(Cc1ccccc1)C[C@H](C)C(=O)[O-])OCC ZINC000908841796 981375134 /nfs/dbraw/zinc/37/51/34/981375134.db2.gz OBIVYOIGPDFYHZ-RDJZCZTQSA-N -1 0 333.428 3.107 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1oc2ccc(OC)cc2c1C)C(=O)[O-] ZINC000910918734 982164207 /nfs/dbraw/zinc/16/42/07/982164207.db2.gz OTOMZJPMCBGCDY-AWEZNQCLSA-N -1 0 331.368 3.289 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1cccc([C@@H]2CCCOC2)c1)C(=O)[O-] ZINC000910921796 982165482 /nfs/dbraw/zinc/16/54/82/982165482.db2.gz GCVXLLUNOWOPHH-SJORKVTESA-N -1 0 331.412 3.120 20 30 EGEDRM CCCCC[C@H](Nc1cc(C#N)c(Br)cn1)C(=O)[O-] ZINC001595688036 982181744 /nfs/dbraw/zinc/18/17/44/982181744.db2.gz VTOICYVANXQLIM-NSHDSACASA-N -1 0 326.194 3.161 20 30 EGEDRM CCCCCCCC(=O)N[C@@](C)(Cn1cnc2ccccc21)C(=O)[O-] ZINC001595702030 982260221 /nfs/dbraw/zinc/26/02/21/982260221.db2.gz AQWYQQQNZTYQIQ-IBGZPJMESA-N -1 0 345.443 3.356 20 30 EGEDRM CC[C@@H](C)C[C@@H](Nc1ncc(Br)cc1C#N)C(=O)[O-] ZINC001594954172 982684413 /nfs/dbraw/zinc/68/44/13/982684413.db2.gz ZYJJUVLITCLOGH-LDYMZIIASA-N -1 0 326.194 3.017 20 30 EGEDRM C#C[C@H](Cc1ccccc1)OC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001588370808 983322291 /nfs/dbraw/zinc/32/22/91/983322291.db2.gz NLFMJWPILVGLNE-CQSZACIVSA-N -1 0 328.751 3.440 20 30 EGEDRM C#C[C@@H](NC(=O)Nc1cccc(CSCC(=O)[O-])c1)C(C)(C)C ZINC001588373868 983340283 /nfs/dbraw/zinc/34/02/83/983340283.db2.gz KTIMWZJYQLNORQ-CQSZACIVSA-N -1 0 334.441 3.174 20 30 EGEDRM C#C[C@@H](NC(=O)c1ccc(C(=O)[O-])cc1F)c1ccc(Cl)cc1F ZINC001588378142 983361087 /nfs/dbraw/zinc/36/10/87/983361087.db2.gz VMFZBHDVGDRUAR-OAHLLOKOSA-N -1 0 349.720 3.421 20 30 EGEDRM C#CC[C@H](NC(=O)/C(=C\c1ccc(F)cc1)c1cccs1)C(=O)[O-] ZINC001588393677 983399672 /nfs/dbraw/zinc/39/96/72/983399672.db2.gz FCEXWORJUXNNSW-SZGZABIGSA-N -1 0 343.379 3.021 20 30 EGEDRM C#CC[C@@H]1CCCN(C(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)C1 ZINC001588431486 983465225 /nfs/dbraw/zinc/46/52/25/983465225.db2.gz JJKPUZQDABFVCM-SNVBAGLBSA-N -1 0 338.766 3.445 20 30 EGEDRM C#CCCOc1ccc(C(=O)Nc2cc(OC)ccc2C(=O)[O-])cc1 ZINC001588456104 983481320 /nfs/dbraw/zinc/48/13/20/983481320.db2.gz ZCMDICFCIIJJHV-UHFFFAOYSA-N -1 0 339.347 3.048 20 30 EGEDRM C#CCOc1ccccc1NC(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC001588504448 983547841 /nfs/dbraw/zinc/54/78/41/983547841.db2.gz BBAUQWKRPPHADX-UHFFFAOYSA-N -1 0 328.299 3.180 20 30 EGEDRM C=C(C)[C@H](CC(=O)N1CCCc2c(C(=O)[O-])ccc(C)c21)OCC ZINC001588530233 983583914 /nfs/dbraw/zinc/58/39/14/983583914.db2.gz WKTNQIMHIFYMJY-INIZCTEOSA-N -1 0 331.412 3.344 20 30 EGEDRM C=C(C)[C@@H](CC(=O)N(CC(=O)[O-])[C@H](CC)c1ccccc1)OCC ZINC001588530318 983584286 /nfs/dbraw/zinc/58/42/86/983584286.db2.gz ZEQLIQPAGIVJOL-IAGOWNOFSA-N -1 0 333.428 3.422 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)c1cc(Cl)c(Cl)cc1OC)C(=O)[O-] ZINC001588542977 983610383 /nfs/dbraw/zinc/61/03/83/983610383.db2.gz BJDNYEKNCRNNGL-LLVKDONJSA-N -1 0 332.183 3.151 20 30 EGEDRM C=C(C)Cn1c(CC(C)C)nnc1N1CCC[C@H](CCC(=O)[O-])C1 ZINC001588598316 983682851 /nfs/dbraw/zinc/68/28/51/983682851.db2.gz YQMKMMKKCCHIOQ-OAHLLOKOSA-N -1 0 334.464 3.134 20 30 EGEDRM C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1 ZINC001588599443 983690341 /nfs/dbraw/zinc/69/03/41/983690341.db2.gz QCGJRRSSMKYYGX-UWVGGRQHSA-N -1 0 338.429 3.059 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N(C)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC001588607155 983700148 /nfs/dbraw/zinc/70/01/48/983700148.db2.gz UWRHGJYHBHAWJV-AEFFLSMTSA-N -1 0 331.412 3.034 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N[C@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC001588622201 983722529 /nfs/dbraw/zinc/72/25/29/983722529.db2.gz RCYIMUJPXQEJEA-GFCCVEGCSA-N -1 0 335.375 3.213 20 30 EGEDRM C=C[C@@H](C(=O)[O-])N1CCN(C(=O)OC(C)(C)C)Cc2c(C)cccc21 ZINC001588670242 983819786 /nfs/dbraw/zinc/81/97/86/983819786.db2.gz YVFNRIIKJMDWQB-HNNXBMFYSA-N -1 0 346.427 3.191 20 30 EGEDRM C=C[C@@H](CC)CC(=O)N[C@H](C(=O)[O-])c1ccc(Br)cc1 ZINC001588691277 983879550 /nfs/dbraw/zinc/87/95/50/983879550.db2.gz WJFSQQLHRNIEFY-HZMBPMFUSA-N -1 0 340.217 3.293 20 30 EGEDRM C=C[C@@H](Sc1nnc2c3ccccc3n(CCC)c2n1)C(=O)[O-] ZINC001588714714 983953019 /nfs/dbraw/zinc/95/30/19/983953019.db2.gz LLDSEKFTYYQHBB-GFCCVEGCSA-N -1 0 328.397 3.121 20 30 EGEDRM C=CC[C@H](CC)NC(=O)Nc1cc(C(=O)[O-])ccc1-n1cc(C)cn1 ZINC001588736327 984023932 /nfs/dbraw/zinc/02/39/32/984023932.db2.gz XLLZOICGCCUKAD-AWEZNQCLSA-N -1 0 342.399 3.355 20 30 EGEDRM C=CCC(F)(F)C(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC001588742763 984034579 /nfs/dbraw/zinc/03/45/79/984034579.db2.gz KXIAXWDHQMPQNQ-UHFFFAOYSA-N -1 0 325.336 3.427 20 30 EGEDRM C=CCC1(NC(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)CCOCC1 ZINC001588767105 984128280 /nfs/dbraw/zinc/12/82/80/984128280.db2.gz JMUQNQAKENGOIL-CQSZACIVSA-N -1 0 346.427 3.197 20 30 EGEDRM C=CC[C@H]1CCCC[C@H]1NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001588771725 984141282 /nfs/dbraw/zinc/14/12/82/984141282.db2.gz YSKCIARQJLQAFT-XHDPSFHLSA-N -1 0 332.356 3.158 20 30 EGEDRM C=CCCC[C@H](C(=O)Nc1cc(C(=O)[O-])nn1C)c1ccccc1 ZINC001588783024 984176112 /nfs/dbraw/zinc/17/61/12/984176112.db2.gz UITRBDCAQAQAOE-AWEZNQCLSA-N -1 0 327.384 3.197 20 30 EGEDRM C=CCCC[C@H](NC(=O)CCC(=O)c1cc(C)sc1C)C(=O)[O-] ZINC001588788401 984189611 /nfs/dbraw/zinc/18/96/11/984189611.db2.gz AWKULVZXMMYNHF-AWEZNQCLSA-N -1 0 337.441 3.254 20 30 EGEDRM C=CCCC[C@@H](NC(=O)CO[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC001588788936 984194518 /nfs/dbraw/zinc/19/45/18/984194518.db2.gz RXOZIHUWWUJOGM-SJORKVTESA-N -1 0 331.412 3.006 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1)C(=O)[O-] ZINC001588792497 984210133 /nfs/dbraw/zinc/21/01/33/984210133.db2.gz ISYDLZJSPFUAQG-CYBMUJFWSA-N -1 0 347.802 3.269 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1cc(F)c(Cl)c(N)c1Cl)C(=O)[O-] ZINC001588793040 984215989 /nfs/dbraw/zinc/21/59/89/984215989.db2.gz ROIQBAJXHKXBCB-SECBINFHSA-N -1 0 349.189 3.254 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1ccc(N(CC)C(C)C)cc1)C(=O)[O-] ZINC001588793423 984219065 /nfs/dbraw/zinc/21/90/65/984219065.db2.gz QIPLCKADXFSBTR-QGZVFWFLSA-N -1 0 332.444 3.461 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1cc(C)sc1-n1cccc1)C(=O)[O-] ZINC001588793392 984219088 /nfs/dbraw/zinc/21/90/88/984219088.db2.gz XAOCWUVZSPGBFT-CQSZACIVSA-N -1 0 332.425 3.387 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1cc(-c2ccc(C)c(C)c2)n[nH]1)C(=O)[O-] ZINC001588793488 984219541 /nfs/dbraw/zinc/21/95/41/984219541.db2.gz YEPBKAWMKLJACM-HNNXBMFYSA-N -1 0 341.411 3.233 20 30 EGEDRM C=CCCNC(=O)Nc1ccc(Br)c(C(=O)[O-])c1C ZINC001588807281 984258538 /nfs/dbraw/zinc/25/85/38/984258538.db2.gz GWXIJZFUNCJWMH-UHFFFAOYSA-N -1 0 327.178 3.153 20 30 EGEDRM C=CCN(CCc1ccccc1)C(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001588828728 984309511 /nfs/dbraw/zinc/30/95/11/984309511.db2.gz LGPPHCKATMUEBI-UHFFFAOYSA-N -1 0 327.355 3.395 20 30 EGEDRM C=CCN(Cc1ccccc1)Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1 ZINC001588832351 984321682 /nfs/dbraw/zinc/32/16/82/984321682.db2.gz FKUMCNBAAOHFGW-UHFFFAOYSA-N -1 0 349.390 3.222 20 30 EGEDRM C=CCOc1ccc(COC(=O)Cc2cccc(C(=O)[O-])c2)cc1 ZINC001588872726 984442102 /nfs/dbraw/zinc/44/21/02/984442102.db2.gz FIUPIRAXCWZSGB-UHFFFAOYSA-N -1 0 326.348 3.236 20 30 EGEDRM C=CCOc1ccc(CC(=O)N[C@@]2(C(=O)[O-])CCCC(C)(C)C2)cc1 ZINC001588873740 984445880 /nfs/dbraw/zinc/44/58/80/984445880.db2.gz KCIFLWOVQYBAQE-FQEVSTJZSA-N -1 0 345.439 3.334 20 30 EGEDRM C=CCOc1cccnc1C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001588877532 984454018 /nfs/dbraw/zinc/45/40/18/984454018.db2.gz YDFJPZBHJHKQCX-UHFFFAOYSA-N -1 0 337.335 3.078 20 30 EGEDRM C=CC[S@](=O)(=NC(=O)c1ccsc1C(=O)[O-])c1ccccc1 ZINC001588878489 984454541 /nfs/dbraw/zinc/45/45/41/984454541.db2.gz ARDDVAQUKJVKGC-JOCHJYFZSA-N -1 0 335.406 3.300 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001588881616 984460664 /nfs/dbraw/zinc/46/06/64/984460664.db2.gz COBOQWKYBSMTNC-DFBGVHRSSA-N -1 0 330.380 3.464 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)C[C@@H](C)[C@H]1CCCO1 ZINC001588882414 984463032 /nfs/dbraw/zinc/46/30/32/984463032.db2.gz RVWCNLIJYMVTAP-IUODEOHRSA-N -1 0 348.395 3.233 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)Cc1ccccc1F ZINC001588884769 984464035 /nfs/dbraw/zinc/46/40/35/984464035.db2.gz AKYRKFWJKSMBQY-UHFFFAOYSA-N -1 0 344.338 3.409 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1cc(C2CC2)no1 ZINC001588885691 984469253 /nfs/dbraw/zinc/46/92/53/984469253.db2.gz WQWKZAFGBYUBMV-UHFFFAOYSA-N -1 0 343.335 3.207 20 30 EGEDRM C=CCn1c(SCC2(C(=O)[O-])CC2)nnc1-c1cccc(OC)c1 ZINC001588907144 984538334 /nfs/dbraw/zinc/53/83/34/984538334.db2.gz CNHDBAWKBLNDGU-UHFFFAOYSA-N -1 0 345.424 3.097 20 30 EGEDRM C[C@H](CC(=O)[O-])NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 ZINC001599887189 984650626 /nfs/dbraw/zinc/65/06/26/984650626.db2.gz BFGCBUPENYXWDH-CXAGYDPISA-N -1 0 337.379 3.327 20 30 EGEDRM Cc1c(C#N)cccc1-c1nc(COc2cccc(C(=O)[O-])c2)no1 ZINC001599973441 986047345 /nfs/dbraw/zinc/04/73/45/986047345.db2.gz UBSCYUFQVMRGKY-UHFFFAOYSA-N -1 0 335.319 3.194 20 30 EGEDRM C[C@@H](C#N)CN(C(=O)Nc1cccc(CSCC(=O)[O-])c1)C1CC1 ZINC001589330131 986170258 /nfs/dbraw/zinc/17/02/58/986170258.db2.gz YYKLCUGLFGSXCJ-LBPRGKRZSA-N -1 0 347.440 3.160 20 30 EGEDRM C[C@H](C#N)CSc1ccccc1NC(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001589331622 986188632 /nfs/dbraw/zinc/18/86/32/986188632.db2.gz JZNHZFOFXWKNAM-SNVBAGLBSA-N -1 0 329.381 3.217 20 30 EGEDRM C[C@@H](C#N)OCCSCc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001589331965 986194636 /nfs/dbraw/zinc/19/46/36/986194636.db2.gz UVUPUWQENNEUED-NSHDSACASA-N -1 0 332.381 3.202 20 30 EGEDRM CCOc1cc(C#N)ccc1OC(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001596993732 986288518 /nfs/dbraw/zinc/28/85/18/986288518.db2.gz UZYHORDKDBPLAF-UHFFFAOYSA-N -1 0 325.320 3.183 20 30 EGEDRM CC[C@H](C#N)C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC001594722190 987209986 /nfs/dbraw/zinc/20/99/86/987209986.db2.gz LFEZAMKMTZGGBM-MRXNPFEDSA-N -1 0 332.359 3.273 20 30 EGEDRM CC(C)(C#N)c1ccc(C(=O)N2CCc3c2cccc3C(=O)[O-])cc1 ZINC001589557810 987307704 /nfs/dbraw/zinc/30/77/04/987307704.db2.gz HOSRJQXPQORSJK-UHFFFAOYSA-N -1 0 334.375 3.389 20 30 EGEDRM CC(C)(C(=O)OCc1csc(C(=O)[O-])c1)c1cc(F)cc(C#N)c1 ZINC001589680754 987706501 /nfs/dbraw/zinc/70/65/01/987706501.db2.gz DMVGWNYWJULKEJ-UHFFFAOYSA-N -1 0 347.367 3.478 20 30 EGEDRM CC(C)(C(=O)O[C@H]1CCC[C@@H](C(=O)[O-])C1)c1cc(F)cc(C#N)c1 ZINC001589681134 987709815 /nfs/dbraw/zinc/70/98/15/987709815.db2.gz UBBSCQXIOGRJRW-DOMZBBRYSA-N -1 0 333.359 3.162 20 30 EGEDRM CC(C)(C)C#CC(=O)N[C@H](C[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC001589684560 987721850 /nfs/dbraw/zinc/72/18/50/987721850.db2.gz JIZLRWDQMQQPSK-NVXWUHKLSA-N -1 0 327.424 3.116 20 30 EGEDRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)C1(c2ccc(C#N)cc2)CCCC1 ZINC001589700035 987789311 /nfs/dbraw/zinc/78/93/11/987789311.db2.gz ISTSPALWOXQQOL-INIZCTEOSA-N -1 0 342.439 3.376 20 30 EGEDRM CCc1ccc(C#CC(=O)NC[C@H](C(=O)[O-])C2CCCCCC2)cc1 ZINC001597494956 988040495 /nfs/dbraw/zinc/04/04/95/988040495.db2.gz MREKZUVJZZVMGL-IBGZPJMESA-N -1 0 341.451 3.388 20 30 EGEDRM CCc1ccc(C#CC(=O)N[C@@H](CC(=O)[O-])c2ccc(C)cc2)cc1 ZINC001597495028 988040525 /nfs/dbraw/zinc/04/05/25/988040525.db2.gz OYRZFQUDPLFUPD-IBGZPJMESA-N -1 0 335.403 3.241 20 30 EGEDRM CCc1ccc(C#CC(=O)N(CCCC(=O)[O-])Cc2ccccc2)cc1 ZINC001597495118 988041584 /nfs/dbraw/zinc/04/15/84/988041584.db2.gz RJNDULMHVFPPMY-UHFFFAOYSA-N -1 0 349.430 3.494 20 30 EGEDRM CC(C)(C)CN(CCC#N)CCOc1ccc(/C=C\C(=O)[O-])cc1 ZINC001589779836 988144311 /nfs/dbraw/zinc/14/43/11/988144311.db2.gz AACHSNDXCCSXRZ-YFHOEESVSA-N -1 0 330.428 3.425 20 30 EGEDRM CCc1ccc(NC(=O)Cc2cccc(OCC#N)c2)c(C(=O)[O-])c1 ZINC001597545079 988246102 /nfs/dbraw/zinc/24/61/02/988246102.db2.gz PTKFYUBZOKJVJB-UHFFFAOYSA-N -1 0 338.363 3.031 20 30 EGEDRM C[C@@H](CC(=O)[O-])NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 ZINC001599832250 988691895 /nfs/dbraw/zinc/69/18/95/988691895.db2.gz BFGCBUPENYXWDH-GUYCJALGSA-N -1 0 337.379 3.327 20 30 EGEDRM CC(C)(C)c1ccc(C(=O)OCc2cccc(C(=O)[O-])c2C#N)nc1 ZINC001590481747 990076144 /nfs/dbraw/zinc/07/61/44/990076144.db2.gz RNMBJHYTHIOFBC-UHFFFAOYSA-N -1 0 338.363 3.306 20 30 EGEDRM CN(C(=O)Nc1cccc(CSCC(=O)[O-])c1)[C@H]1CCC[C@@H]1C#N ZINC001598061511 990334124 /nfs/dbraw/zinc/33/41/24/990334124.db2.gz JEXFNHCYRGIKIF-HIFRSBDPSA-N -1 0 347.440 3.160 20 30 EGEDRM CN(C)c1ccc(OC(=O)[C@]2(C#N)CC3CCC2CC3)cc1C(=O)[O-] ZINC001598329242 991360091 /nfs/dbraw/zinc/36/00/91/991360091.db2.gz MCKBLFAUAKRXRU-RMTLACHYSA-N -1 0 342.395 3.076 20 30 EGEDRM CN(C)c1ccc(OC(=O)CC2(C#N)CCCCC2)cc1C(=O)[O-] ZINC001598329321 991362175 /nfs/dbraw/zinc/36/21/75/991362175.db2.gz PSUIVHQDVNBGHV-UHFFFAOYSA-N -1 0 330.384 3.220 20 30 EGEDRM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Oc1ccc(C(=O)[O-])cc1 ZINC001591052821 991461712 /nfs/dbraw/zinc/46/17/12/991461712.db2.gz WZYRRMWAVBHNRO-QGZVFWFLSA-N -1 0 339.347 3.265 20 30 EGEDRM CC(C)CN(CCC(=O)[O-])c1nccc(Oc2cccc(C#N)c2)n1 ZINC001591339648 992317588 /nfs/dbraw/zinc/31/75/88/992317588.db2.gz PWFRNKKKNBCYJJ-UHFFFAOYSA-N -1 0 340.383 3.078 20 30 EGEDRM CN(Cc1cc(C#N)cs1)C(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC001598507477 992525214 /nfs/dbraw/zinc/52/52/14/992525214.db2.gz RQXXILGDLZBHGC-UHFFFAOYSA-N -1 0 332.425 3.003 20 30 EGEDRM CC(C)N(Cc1ccc(C#N)cc1)C(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001591596857 992825442 /nfs/dbraw/zinc/82/54/42/992825442.db2.gz RHHJUGCKKRDFTI-UHFFFAOYSA-N -1 0 336.391 3.236 20 30 EGEDRM COc1ccc(NCCCOc2ccc(C#N)cc2)c(C(=O)[O-])c1 ZINC001599597758 993771044 /nfs/dbraw/zinc/77/10/44/993771044.db2.gz WOIRKCMMMZSMKS-UHFFFAOYSA-N -1 0 326.352 3.146 20 30 EGEDRM C[C@@H](NC(=O)Nc1ccc(F)c(C(=O)[O-])c1F)c1cccc(C#N)c1 ZINC001593114930 993796365 /nfs/dbraw/zinc/79/63/65/993796365.db2.gz GDWQTZFZUWHHRY-SECBINFHSA-N -1 0 345.305 3.417 20 30 EGEDRM COc1ccc2nc(/C=C\C(=O)c3cc(C(=O)[O-])co3)sc2c1 ZINC001599636517 994296590 /nfs/dbraw/zinc/29/65/90/994296590.db2.gz CDXUNHBYKUWOCD-PLNGDYQASA-N -1 0 329.333 3.492 20 30 EGEDRM C[C@H](ON=Cc1ccc(C(=O)[O-])cc1)C(=O)Nc1ccc(Cl)cc1 ZINC001593610613 995803610 /nfs/dbraw/zinc/80/36/10/995803610.db2.gz FNDKDSSNLFXDDH-NSHDSACASA-N -1 0 346.770 3.416 20 30 EGEDRM C[C@@H](Sc1ccccc1C(=O)NCc1ccc(C#N)cc1)C(=O)[O-] ZINC001593672921 996080031 /nfs/dbraw/zinc/08/00/31/996080031.db2.gz MHDOWXKGRGXSBT-GFCCVEGCSA-N -1 0 340.404 3.053 20 30 EGEDRM C[C@H](Sc1nc2c(cc1C#N)CCCC2)c1nc(C(=O)[O-])co1 ZINC001593678780 996095225 /nfs/dbraw/zinc/09/52/25/996095225.db2.gz AARWYWSLVBAYGG-VIFPVBQESA-N -1 0 329.381 3.372 20 30 EGEDRM C[C@H](c1cccc(C#N)c1)N(C)Cc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001593699262 996169674 /nfs/dbraw/zinc/16/96/74/996169674.db2.gz SOCSWEPWUSKNAY-GFCCVEGCSA-N -1 0 334.379 3.326 20 30 EGEDRM CC1(C)C[C@@H](n2nc(C(=O)[O-])cc2-c2ccc(C#N)cc2)CCO1 ZINC001593864328 996665546 /nfs/dbraw/zinc/66/55/46/996665546.db2.gz SEZVKJAXERUFEW-AWEZNQCLSA-N -1 0 325.368 3.250 20 30 EGEDRM COc1cc(C(=O)Oc2ccc(C(=O)[O-])cc2Cl)ccc1C#N ZINC001599386821 996961477 /nfs/dbraw/zinc/96/14/77/996961477.db2.gz DREPEAUSOWURDR-UHFFFAOYSA-N -1 0 331.711 3.138 20 30 EGEDRM COc1ccc(/C=C/C(=O)[O-])cc1OC(=O)/C=C\c1ccccc1C#N ZINC001599544880 997906390 /nfs/dbraw/zinc/90/63/90/997906390.db2.gz VFVNXOGUXKAPFN-WAKDDQPJSA-N -1 0 349.342 3.283 20 30 EGEDRM COc1cc(Nc2ccc(C(=O)[O-])nc2C#N)ccc1Br ZINC001599445433 998001665 /nfs/dbraw/zinc/00/16/65/998001665.db2.gz KMYUNVNPRJTQFE-UHFFFAOYSA-N -1 0 348.156 3.166 20 30 EGEDRM COc1cc(C#N)cc(Cl)c1OC(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC001599349451 998067237 /nfs/dbraw/zinc/06/72/37/998067237.db2.gz TXPKVIFBBALMQI-HWKANZROSA-N -1 0 347.710 3.130 20 30 EGEDRM C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001594172846 998663771 /nfs/dbraw/zinc/66/37/71/998663771.db2.gz HZJCEGPYHZOUIX-GYIHYUDTSA-N -1 0 335.359 3.277 20 30 EGEDRM COC(=O)c1cccc(CSCc2cccc(C(=O)[O-])c2)c1C#N ZINC001598999888 998814812 /nfs/dbraw/zinc/81/48/12/998814812.db2.gz OSYFMARAIITCKX-UHFFFAOYSA-N -1 0 341.388 3.476 20 30 EGEDRM CO[C@H](C(=O)[O-])c1ccccc1OCCCOc1cccc(C#N)c1 ZINC001599026763 999021937 /nfs/dbraw/zinc/02/19/37/999021937.db2.gz NMYJOHJOLZKFIF-SFHVURJKSA-N -1 0 341.363 3.178 20 30 EGEDRM C=CCCO[C@@H](C)C(=O)[N-]OCc1ccc(F)cc1Br ZINC000188923153 201045796 /nfs/dbraw/zinc/04/57/96/201045796.db2.gz BOSWOAVTGMHUPM-JTQLQIEISA-N -1 0 346.196 3.117 20 30 EGEDRM C=CCc1cc(C(=O)N[C@](C)(CC(=O)[O-])C(C)C)cc(OC)c1OC ZINC000263062630 201205742 /nfs/dbraw/zinc/20/57/42/201205742.db2.gz STFRJNFBWFACRM-LJQANCHMSA-N -1 0 349.427 3.052 20 30 EGEDRM C=C[C@@H](CC(=O)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1)c1ccccc1 ZINC000263165168 201207389 /nfs/dbraw/zinc/20/73/89/201207389.db2.gz YGCIMHLJPNPIDF-BLLLJJGKSA-N -1 0 341.329 3.212 20 30 EGEDRM C=C(C)COc1cc(CNCc2cc(C(=O)[O-])co2)ccc1OC ZINC000276955536 201299541 /nfs/dbraw/zinc/29/95/41/201299541.db2.gz FHBGMMHLVULCGT-UHFFFAOYSA-N -1 0 331.368 3.231 20 30 EGEDRM N#Cc1cc([N+](=O)[O-])ccc1NC(=O)CC1(CC(=O)[O-])CCCCC1 ZINC000029011363 201387721 /nfs/dbraw/zinc/38/77/21/201387721.db2.gz MDLOAEPYZRHMET-UHFFFAOYSA-N -1 0 345.355 3.220 20 30 EGEDRM N#Cc1nc(NC(=O)c2ccc(-c3ccc(F)cc3)cc2F)[n-]c1C#N ZINC000069564309 203019401 /nfs/dbraw/zinc/01/94/01/203019401.db2.gz BOQBXCNMKXAOFC-UHFFFAOYSA-N -1 0 349.300 3.351 20 30 EGEDRM C=CCn1c(=O)c2ccc(C(=O)N3CCC(C)CC3)cc2[n-]c1=S ZINC000017355539 211966586 /nfs/dbraw/zinc/96/65/86/211966586.db2.gz QIBOELHCJYWSAU-UHFFFAOYSA-N -1 0 343.452 3.117 20 30 EGEDRM CCCCc1cc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)n[nH]1 ZINC000159946664 206271438 /nfs/dbraw/zinc/27/14/38/206271438.db2.gz HMTBABVNCLFVDT-UHFFFAOYSA-N -1 0 338.820 3.078 20 30 EGEDRM N#Cc1cccc(S(=O)(=O)[N-]c2cc(F)ccc2OCC2CC2)c1 ZINC000189478279 153072509 /nfs/dbraw/zinc/07/25/09/153072509.db2.gz UFEOVCSJBFNMCJ-UHFFFAOYSA-N -1 0 346.383 3.287 20 30 EGEDRM Cc1cc(Cl)cnc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000313837001 154154812 /nfs/dbraw/zinc/15/48/12/154154812.db2.gz FEZAPNSQURVTHP-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM N#Cc1nc(NC(=O)c2cccc(Nc3ccccc3)c2)[n-]c1C#N ZINC000345298929 156041679 /nfs/dbraw/zinc/04/16/79/156041679.db2.gz MXPHTXHFOCXSLN-UHFFFAOYSA-N -1 0 328.335 3.149 20 30 EGEDRM N#Cc1cc(Oc2ccc([N-]S(=O)(=O)c3ccco3)cc2)ccn1 ZINC000357330907 166649576 /nfs/dbraw/zinc/64/95/76/166649576.db2.gz PGAVISKYINVUFD-UHFFFAOYSA-N -1 0 341.348 3.139 20 30 EGEDRM C[C@@H](Cc1cccc(Cl)c1)C(=O)N=c1[nH][n-]c(C2CC2)c1C#N ZINC000359724087 167214855 /nfs/dbraw/zinc/21/48/55/167214855.db2.gz LJQPEVIUORHUCF-JTQLQIEISA-N -1 0 328.803 3.051 20 30 EGEDRM N#CC(=C([O-])c1c[nH]c(C#N)c1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000181489453 270038755 /nfs/dbraw/zinc/03/87/55/270038755.db2.gz DIPUUDBUAPUSPA-HNNXBMFYSA-N -1 0 343.371 3.372 20 30 EGEDRM N#Cc1cnc2ccccc2c1NCCCNC(=O)c1cccc(O)c1 ZINC000301390280 270044027 /nfs/dbraw/zinc/04/40/27/270044027.db2.gz AGJBCQHMXIPZQE-UHFFFAOYSA-N -1 0 346.390 3.044 20 30 EGEDRM CCCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435478282 267027936 /nfs/dbraw/zinc/02/79/36/267027936.db2.gz SVONVJRUZCRVPD-UHFFFAOYSA-N -1 0 340.401 3.348 20 30 EGEDRM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)n[nH]1 ZINC000435725580 267031094 /nfs/dbraw/zinc/03/10/94/267031094.db2.gz YSEJXLXYFHASDJ-LLVKDONJSA-N -1 0 332.429 3.294 20 30 EGEDRM CCOC(=O)CCc1ccc(NC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000442972540 267116079 /nfs/dbraw/zinc/11/60/79/267116079.db2.gz MDTUSINCBOBYJY-UHFFFAOYSA-N -1 0 338.363 3.012 20 30 EGEDRM C[C@H](C#N)CSc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000340973706 267123231 /nfs/dbraw/zinc/12/32/31/267123231.db2.gz ZBLSNFAOIONVOG-LLVKDONJSA-N -1 0 347.421 3.204 20 30 EGEDRM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1ccccc1OC(F)F ZINC000179026993 267289510 /nfs/dbraw/zinc/28/95/10/267289510.db2.gz GIRCOONWEOOVGF-UHFFFAOYSA-N -1 0 338.335 3.269 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2cc(C3CCCC3)[nH]n2)ccc1C#N ZINC000331942777 267359830 /nfs/dbraw/zinc/35/98/30/267359830.db2.gz PLSPEKNGXXPMCO-UHFFFAOYSA-N -1 0 330.413 3.048 20 30 EGEDRM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000189273907 267390997 /nfs/dbraw/zinc/39/09/97/267390997.db2.gz WKMSFDHBTZEHMP-UHFFFAOYSA-N -1 0 345.380 3.193 20 30 EGEDRM Cc1[n-][nH]c(=NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)c1C#N ZINC000431677182 267911167 /nfs/dbraw/zinc/91/11/67/267911167.db2.gz CESRKABPHWXETQ-VHSXEESVSA-N -1 0 335.194 3.061 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2nc(-c3cccc(O)c3)cs2)cc1[O-] ZINC000191083713 268048054 /nfs/dbraw/zinc/04/80/54/268048054.db2.gz GAFVIAVMNGRKQY-UHFFFAOYSA-N -1 0 337.360 3.345 20 30 EGEDRM Cc1ccc2nc([N-]S(=O)(=O)c3ccc(C#N)c(F)c3)sc2c1 ZINC000427786229 268048996 /nfs/dbraw/zinc/04/89/96/268048996.db2.gz GCTRVTYCSNMPLT-UHFFFAOYSA-N -1 0 347.396 3.416 20 30 EGEDRM Cc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(C)(C)O3)c1C#N ZINC000440817579 268056376 /nfs/dbraw/zinc/05/63/76/268056376.db2.gz CZEQLBOVYJPZOU-UHFFFAOYSA-N -1 0 342.420 3.381 20 30 EGEDRM N#Cc1c(F)cccc1CSc1n[n-]c(=NCc2ccco2)s1 ZINC000488213826 268164465 /nfs/dbraw/zinc/16/44/65/268164465.db2.gz IDRRQTGYOFABCP-UHFFFAOYSA-N -1 0 346.412 3.468 20 30 EGEDRM N#Cc1ccc(C(=O)[O-])nc1/C=C\c1ccc(O)c(Br)c1 ZINC000436630100 268207282 /nfs/dbraw/zinc/20/72/82/268207282.db2.gz ZIJYVRFLGULVJS-RJRFIUFISA-N -1 0 345.152 3.290 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2Cc2ccccc2)cn1 ZINC000195439156 268207322 /nfs/dbraw/zinc/20/73/22/268207322.db2.gz LCFANURHZYKXAU-UHFFFAOYSA-N -1 0 349.415 3.345 20 30 EGEDRM COc1ccc2nc(/C=C\c3cc(C#N)n(C)c3)cc(C(=O)[O-])c2c1 ZINC000358660714 295279500 /nfs/dbraw/zinc/27/95/00/295279500.db2.gz LZHGVDRMQOLTQM-ARJAWSKDSA-N -1 0 333.347 3.322 20 30 EGEDRM C[C@]1(C(=O)[O-])CCN(c2c(C#N)cnc3c(F)ccc(Cl)c32)C1 ZINC000262968191 300785295 /nfs/dbraw/zinc/78/52/95/300785295.db2.gz ATNAAIIAEBQVAA-INIZCTEOSA-N -1 0 333.750 3.200 20 30 EGEDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2C#N)c1[N+](=O)[O-] ZINC000191788679 301558839 /nfs/dbraw/zinc/55/88/39/301558839.db2.gz YFZFUYMXLAXXMF-UHFFFAOYSA-N -1 0 349.343 3.023 20 30 EGEDRM N#Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccccc1OC(F)F ZINC000183396476 303183815 /nfs/dbraw/zinc/18/38/15/303183815.db2.gz VGWNIMWBZJCFIO-UHFFFAOYSA-N -1 0 342.298 3.100 20 30 EGEDRM CCc1ccccc1S(=O)(=O)[N-]c1cc(C#N)c2ccccc2n1 ZINC000508124761 312088908 /nfs/dbraw/zinc/08/89/08/312088908.db2.gz JYWMJALPEIEMDT-UHFFFAOYSA-N -1 0 337.404 3.470 20 30 EGEDRM Cc1cc(=NC(=O)c2ccccc2Oc2ccccc2C#N)[n-]nc1C ZINC000537575281 314190171 /nfs/dbraw/zinc/19/01/71/314190171.db2.gz KZKSTGDWEQBVKT-UHFFFAOYSA-N -1 0 344.374 3.432 20 30 EGEDRM Cc1cccc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)c1C#N ZINC000539465231 314315421 /nfs/dbraw/zinc/31/54/21/314315421.db2.gz DBRSWERLEPVHDA-UHFFFAOYSA-N -1 0 345.380 3.193 20 30 EGEDRM CC(C)(C)Cc1csc([N-]S(=O)(=O)c2ccc(C#N)cc2)n1 ZINC000540653605 314394332 /nfs/dbraw/zinc/39/43/32/314394332.db2.gz HTLUVECUPBLZPN-UHFFFAOYSA-N -1 0 335.454 3.404 20 30 EGEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)c1cccc(C)c1Cl ZINC000545293692 314753076 /nfs/dbraw/zinc/75/30/76/314753076.db2.gz AFGHDYVPMKHUKZ-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM CCc1cc(C#N)c([N-]S(=O)(=O)c2ccc(OC)c(F)c2)s1 ZINC000564624048 316176707 /nfs/dbraw/zinc/17/67/07/316176707.db2.gz JRSNVHAGZJZDMW-UHFFFAOYSA-N -1 0 340.401 3.131 20 30 EGEDRM COC(=O)C1(C/N=C/c2cc(Cl)cc(Cl)c2[O-])CCOCC1 ZINC000180423259 455167061 /nfs/dbraw/zinc/16/70/61/455167061.db2.gz ZAGQJVCNVMFLOK-QGMBQPNBSA-N -1 0 346.210 3.088 20 30 EGEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1c[nH]nc1-c1ccccc1 ZINC000179094524 323368574 /nfs/dbraw/zinc/36/85/74/323368574.db2.gz JJHXJJYBQKOMTP-UHFFFAOYSA-N -1 0 338.392 3.058 20 30 EGEDRM N#Cc1cnc2c(F)c(F)c(F)cc2c1N1CCC[C@H](CC(=O)[O-])C1 ZINC000581596514 325374600 /nfs/dbraw/zinc/37/46/00/325374600.db2.gz KZSKUYFCIJJWAL-SECBINFHSA-N -1 0 349.312 3.215 20 30 EGEDRM CCc1cc(C#N)c([N-]S(=O)(=O)c2ccc(C#N)cc2C)s1 ZINC000582579657 325452240 /nfs/dbraw/zinc/45/22/40/325452240.db2.gz RPQPTJUEWYSEBK-UHFFFAOYSA-N -1 0 331.422 3.163 20 30 EGEDRM N#Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(F)c1F ZINC000180733140 455235819 /nfs/dbraw/zinc/23/58/19/455235819.db2.gz KGBOECKKUFWEJF-UHFFFAOYSA-N -1 0 328.727 3.291 20 30 EGEDRM Cc1ccc(-n2cc(C([O-])=C(C#N)c3nc4ccccc4o3)nn2)cc1 ZINC000054736327 453945277 /nfs/dbraw/zinc/94/52/77/453945277.db2.gz GJIYVKXILPFSOU-CQSZACIVSA-N -1 0 343.346 3.207 20 30 EGEDRM COc1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)cc1[N+](=O)[O-] ZINC000041545354 453971178 /nfs/dbraw/zinc/97/11/78/453971178.db2.gz ZCDOVKQLAIQIPO-NSHDSACASA-N -1 0 337.291 3.235 20 30 EGEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1ccc(OC(F)F)c(F)c1 ZINC000055638275 454001739 /nfs/dbraw/zinc/00/17/39/454001739.db2.gz ZBGKAOMMQRFNNC-UHFFFAOYSA-N -1 0 342.298 3.100 20 30 EGEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(F)cc1C ZINC000057125767 454104330 /nfs/dbraw/zinc/10/43/30/454104330.db2.gz MDCMFKMJMPTAHN-UHFFFAOYSA-N -1 0 334.372 3.205 20 30 EGEDRM CCCc1nc(C)c(C([O-])=C(C#N)c2nnc3n2CCCCC3)s1 ZINC000077479748 454110651 /nfs/dbraw/zinc/11/06/51/454110651.db2.gz AMILONOMTHWGIW-GFCCVEGCSA-N -1 0 343.456 3.212 20 30 EGEDRM C=CCS(=O)(=O)[N-]C(=O)C=Cc1cn(CCC#N)c2ccccc12 ZINC000089286247 454133415 /nfs/dbraw/zinc/13/34/15/454133415.db2.gz SRMVEXNYTSYMPE-CMDGGOBGSA-N -1 0 343.408 3.040 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)N2CCC[C@H]2c2ccsc2)cc1C#N ZINC000060674724 454310209 /nfs/dbraw/zinc/31/02/09/454310209.db2.gz HQESAHCSYUHZNZ-ZDUSSCGKSA-N -1 0 345.449 3.420 20 30 EGEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1c(C)cc(C)cc1C ZINC000064479108 454485736 /nfs/dbraw/zinc/48/57/36/454485736.db2.gz NSXIAHXBUYWYEL-UHFFFAOYSA-N -1 0 330.409 3.293 20 30 EGEDRM COCCn1nc(C)c(C(=O)/C=C/c2cc(F)c([O-])c(F)c2)c1C ZINC000122311655 454522202 /nfs/dbraw/zinc/52/22/02/454522202.db2.gz USXLHRJEQMDNAS-SNAWJCMRSA-N -1 0 336.338 3.026 20 30 EGEDRM CCc1c([N-]S(=O)(=O)c2cccc(C)c2C#N)cnn1CC(C)C ZINC000160390428 455453531 /nfs/dbraw/zinc/45/35/31/455453531.db2.gz BOETUBZDFWMAJD-UHFFFAOYSA-N -1 0 346.456 3.082 20 30 EGEDRM Cc1cc(C(C#N)=C([O-])c2sccc2Br)nc(C)n1 ZINC000049406355 454546787 /nfs/dbraw/zinc/54/67/87/454546787.db2.gz UZYDHXYUJLEVSA-SECBINFHSA-N -1 0 336.214 3.408 20 30 EGEDRM Cc1cc(C(C#N)=C([O-])c2ccc(Br)s2)nc(C)n1 ZINC000049405793 454547356 /nfs/dbraw/zinc/54/73/56/454547356.db2.gz PYSSMBAYALHXGH-VIFPVBQESA-N -1 0 336.214 3.408 20 30 EGEDRM CC(C)c1cc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)nn1C ZINC000080252885 454556651 /nfs/dbraw/zinc/55/66/51/454556651.db2.gz AZLNBWHCLKADRZ-NSHDSACASA-N -1 0 336.317 3.447 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)N[C@@H](C)CCc2ccccc2)cc1C#N ZINC000074344642 454567666 /nfs/dbraw/zinc/56/76/66/454567666.db2.gz UKJASCDOIYMZOH-LBPRGKRZSA-N -1 0 341.436 3.132 20 30 EGEDRM CCc1ncncc1C([O-])=C(C#N)c1nc2ccccc2n1C(F)F ZINC000051656482 454633542 /nfs/dbraw/zinc/63/35/42/454633542.db2.gz XHIGQDOTLQFORR-JTQLQIEISA-N -1 0 341.321 3.274 20 30 EGEDRM C[C@H]1CCC[C@@H](OCCCCCC(=O)Nc2nc(C#N)c(C#N)[n-]2)C1 ZINC000153482977 454798521 /nfs/dbraw/zinc/79/85/21/454798521.db2.gz DLLUMUZNZOUIKN-UONOGXRCSA-N -1 0 343.431 3.247 20 30 EGEDRM COc1ccc(C)cc1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000177993937 454925345 /nfs/dbraw/zinc/92/53/45/454925345.db2.gz UJADZJGXPBTZRY-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM CCOc1ccccc1[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000128058179 455022451 /nfs/dbraw/zinc/02/24/51/455022451.db2.gz MEWCSOWQMHUWGD-UHFFFAOYSA-N -1 0 338.335 3.036 20 30 EGEDRM Cc1ccc(-c2ccc(C(=O)N3CCC(C(=O)[O-])CC3)cc2)cc1C#N ZINC000600964829 460659287 /nfs/dbraw/zinc/65/92/87/460659287.db2.gz GOLHPJKRMJWUHA-UHFFFAOYSA-N -1 0 348.402 3.471 20 30 EGEDRM N#CC(=C([O-])c1cc2ccccc2[nH]c1=O)c1nc2ccccc2o1 ZINC000193534452 455763243 /nfs/dbraw/zinc/76/32/43/455763243.db2.gz JGOQRWYFESLBMY-CYBMUJFWSA-N -1 0 329.315 3.159 20 30 EGEDRM C=CCOc1cccc([N-]S(=O)(=O)c2cc(C)ccc2OC)c1 ZINC000194030365 455794140 /nfs/dbraw/zinc/79/41/40/455794140.db2.gz QSFIHRFRXCIJIH-UHFFFAOYSA-N -1 0 333.409 3.369 20 30 EGEDRM CCOc1ccccc1N=c1[n-]nc(S[C@H](C#N)C2CC2)s1 ZINC000601070336 460698515 /nfs/dbraw/zinc/69/85/15/460698515.db2.gz QBRLSUFEWJMTHR-CYBMUJFWSA-N -1 0 332.454 3.497 20 30 EGEDRM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccccc1OC(F)F ZINC000195446685 455962594 /nfs/dbraw/zinc/96/25/94/455962594.db2.gz UACQJTAEWJAQGZ-UHFFFAOYSA-N -1 0 338.335 3.269 20 30 EGEDRM Cc1c(NC(=O)c2ccc(C#N)c([O-])c2)cccc1C(=O)N1CCCC1 ZINC000188403217 456055711 /nfs/dbraw/zinc/05/57/11/456055711.db2.gz SYPOGDNIVXOFGR-UHFFFAOYSA-N -1 0 349.390 3.061 20 30 EGEDRM C=CCC[C@H](NC(=O)c1cc(C2CC2)nc2ccc(F)cc21)C(=O)[O-] ZINC000262830898 456061134 /nfs/dbraw/zinc/06/11/34/456061134.db2.gz FWIRAZVTLSXWBF-INIZCTEOSA-N -1 0 342.370 3.401 20 30 EGEDRM C=CCC[C@H](NC(=O)[C@H](C)Cc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000262905590 456067745 /nfs/dbraw/zinc/06/77/45/456067745.db2.gz MSFQQAAFNVIHOR-RISCZKNCSA-N -1 0 343.345 3.420 20 30 EGEDRM C=CCC[C@H](NC(=O)[C@@H](C)Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000262922039 456068912 /nfs/dbraw/zinc/06/89/12/456068912.db2.gz ODJFRYALZNXCAF-FZMZJTMJSA-N -1 0 343.345 3.420 20 30 EGEDRM C=CCC[C@@H](NC(=O)C(C)(C)Oc1cccc(Cl)c1)C(=O)[O-] ZINC000262951161 456071667 /nfs/dbraw/zinc/07/16/67/456071667.db2.gz QQWXSWAMLAKLMJ-CYBMUJFWSA-N -1 0 325.792 3.033 20 30 EGEDRM C=CCOCCCC(=O)N[C@H](C[C@@H]1CCCc2ccccc21)C(=O)[O-] ZINC000263107038 456094292 /nfs/dbraw/zinc/09/42/92/456094292.db2.gz RNKFQWBICYHQGP-FUHWJXTLSA-N -1 0 345.439 3.049 20 30 EGEDRM Cc1cc([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)nn1CCC#N ZINC000271068521 456118113 /nfs/dbraw/zinc/11/81/13/456118113.db2.gz NJYUAZBNJMEZFI-UHFFFAOYSA-N -1 0 346.456 3.105 20 30 EGEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)nn1CCC#N ZINC000271077236 456119626 /nfs/dbraw/zinc/11/96/26/456119626.db2.gz QGFYLGCXDZNSHM-UHFFFAOYSA-N -1 0 346.456 3.204 20 30 EGEDRM C=C(C)COc1cccc(NC(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)c1 ZINC000263489583 456158324 /nfs/dbraw/zinc/15/83/24/456158324.db2.gz ODXSROURMQEZLF-IFXJQAMLSA-N -1 0 344.411 3.360 20 30 EGEDRM Cc1c(C(=O)/C=C/c2ccc([N+](=O)[O-])c([O-])c2)cnn1C(C)(C)C ZINC000188879495 456159200 /nfs/dbraw/zinc/15/92/00/456159200.db2.gz QJQSAINOKPBGAL-SOFGYWHQSA-N -1 0 329.356 3.456 20 30 EGEDRM C=CCOc1ccc(C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000237059178 456226349 /nfs/dbraw/zinc/22/63/49/456226349.db2.gz KVHLCHBZEGWVTH-UHFFFAOYSA-N -1 0 325.364 3.222 20 30 EGEDRM Cc1ccc(C(=O)CC(C)(C)CC(=O)Nc2nc(C#N)c(C#N)[n-]2)cc1 ZINC000189143037 456239086 /nfs/dbraw/zinc/23/90/86/456239086.db2.gz OFVLUZFOLBHFHB-UHFFFAOYSA-N -1 0 349.394 3.089 20 30 EGEDRM CC(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3cnccn3)sc2C1 ZINC000297773002 456291850 /nfs/dbraw/zinc/29/18/50/456291850.db2.gz MWTGOHPMEFDDGS-LLVKDONJSA-N -1 0 326.425 3.423 20 30 EGEDRM C=CCC[C@@H](NC(=O)Nc1cc(C)cc(Br)c1)C(=O)[O-] ZINC000315939074 456612501 /nfs/dbraw/zinc/61/25/01/456612501.db2.gz SGUYEVVUDXJIFT-GFCCVEGCSA-N -1 0 341.205 3.298 20 30 EGEDRM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)COCC3CC3)c2)c1 ZINC000341126807 456819268 /nfs/dbraw/zinc/81/92/68/456819268.db2.gz RKYWSDBVCXCUSX-UHFFFAOYSA-N -1 0 349.386 3.150 20 30 EGEDRM C[C@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])[C@@H]1OCCc2sccc21 ZINC000292192121 456880830 /nfs/dbraw/zinc/88/08/30/456880830.db2.gz ZBMAKAQQPNWXHI-OQIULSQXSA-N -1 0 332.381 3.483 20 30 EGEDRM COC(=O)c1ccc(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)s1 ZINC000345396154 456977685 /nfs/dbraw/zinc/97/76/85/456977685.db2.gz MHBKGNNRRJSSOD-JTQLQIEISA-N -1 0 339.376 3.210 20 30 EGEDRM COc1cc(C)c(Br)cc1C([O-])=C(C#N)c1ccncn1 ZINC000354053398 457034420 /nfs/dbraw/zinc/03/44/20/457034420.db2.gz MIDFZCHPJSDFKU-NSHDSACASA-N -1 0 346.184 3.046 20 30 EGEDRM CC(=O)Nc1cccc(N=c2[n-]nc(SCC3(C#N)CC3)s2)c1 ZINC000347016320 457196618 /nfs/dbraw/zinc/19/66/18/457196618.db2.gz BSHSBVJINHFIRG-UHFFFAOYSA-N -1 0 345.453 3.058 20 30 EGEDRM CC(=O)c1ccc(-c2ccc(C([O-])=C(C#N)c3ccncn3)o2)cc1 ZINC000354471747 457244821 /nfs/dbraw/zinc/24/48/21/457244821.db2.gz UBDXOCNSVROLMG-HNNXBMFYSA-N -1 0 331.331 3.429 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)c2ccncn2)nn1-c1ccc(Cl)cc1 ZINC000354471742 457245144 /nfs/dbraw/zinc/24/51/44/457245144.db2.gz OOGBZXNETTVSLR-AWEZNQCLSA-N -1 0 337.770 3.114 20 30 EGEDRM COc1ccccc1OCc1ccc(C([O-])=C(C#N)c2ccncn2)o1 ZINC000354473744 457246058 /nfs/dbraw/zinc/24/60/58/457246058.db2.gz WEGBWPGQVIFBKN-CQSZACIVSA-N -1 0 349.346 3.147 20 30 EGEDRM CC(C)Oc1ncccc1C([O-])=C(C#N)c1cnc2ccccc2n1 ZINC000342391360 457275060 /nfs/dbraw/zinc/27/50/60/457275060.db2.gz ZAOHSPUFXJCCDO-AWEZNQCLSA-N -1 0 332.363 3.302 20 30 EGEDRM CCc1c(C([O-])=C(C#N)c2ccncn2)cnn1-c1ccccc1C ZINC000352367352 457358680 /nfs/dbraw/zinc/35/86/80/457358680.db2.gz NSYQZCPRBBNWKH-AWEZNQCLSA-N -1 0 331.379 3.023 20 30 EGEDRM CCCc1nc(C)c([N-]S(=O)(=O)c2ccccc2CC#N)s1 ZINC000355826555 457421868 /nfs/dbraw/zinc/42/18/68/457421868.db2.gz BNMNLJXZZVVCPH-UHFFFAOYSA-N -1 0 335.454 3.271 20 30 EGEDRM C[C@@H](c1cccc(C#N)c1)N(C)C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000425645595 457621207 /nfs/dbraw/zinc/62/12/07/457621207.db2.gz CTDHTDFMNPNBOO-NSHDSACASA-N -1 0 343.456 3.354 20 30 EGEDRM CSc1c(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)cnn1C ZINC000361195569 457641861 /nfs/dbraw/zinc/64/18/61/457641861.db2.gz KGXZWTYCQNIGBI-VIFPVBQESA-N -1 0 340.330 3.046 20 30 EGEDRM N#CC(=C([O-])c1cnn(-c2ccccc2)c1)c1cnc2ccccc2n1 ZINC000361538138 457779381 /nfs/dbraw/zinc/77/93/81/457779381.db2.gz BOWLEMSXVNANPW-INIZCTEOSA-N -1 0 339.358 3.306 20 30 EGEDRM Cc1c(C(=O)N=c2[n-]n(C(C)C)cc2C#N)cnn1C1CCCCC1 ZINC000358199361 457853959 /nfs/dbraw/zinc/85/39/59/457853959.db2.gz RAUUDLGDOMBBHM-UHFFFAOYSA-N -1 0 340.431 3.020 20 30 EGEDRM C=CCOc1ccc(CN[C@@H](C(=O)[O-])c2cccs2)cc1OC ZINC000426778880 457900324 /nfs/dbraw/zinc/90/03/24/457900324.db2.gz BNCBKKHEFNJLLK-MRXNPFEDSA-N -1 0 333.409 3.237 20 30 EGEDRM C=CCc1cc(CN[C@@H](C(=O)[O-])c2cccs2)cc(OC)c1O ZINC000426787262 457903167 /nfs/dbraw/zinc/90/31/67/457903167.db2.gz CNCQQORAKPACRJ-OAHLLOKOSA-N -1 0 333.409 3.106 20 30 EGEDRM C=CCCCS(=O)(=O)[N-]c1nnc(C[C@H](C)CC(C)(C)C)o1 ZINC000427749384 458031046 /nfs/dbraw/zinc/03/10/46/458031046.db2.gz PDPUPRAYUXTMSV-LBPRGKRZSA-N -1 0 329.466 3.392 20 30 EGEDRM CC(C)c1cc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)nn1C ZINC000362141563 458033924 /nfs/dbraw/zinc/03/39/24/458033924.db2.gz XXVPELAMKZXLRH-NSHDSACASA-N -1 0 336.317 3.447 20 30 EGEDRM Cc1coc(-c2cccc([N-]S(=O)(=O)c3ccc(C#N)s3)c2)n1 ZINC000369186117 458116917 /nfs/dbraw/zinc/11/69/17/458116917.db2.gz ZFXIQKODIOEYAX-UHFFFAOYSA-N -1 0 345.405 3.384 20 30 EGEDRM CC(C)n1ccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)n1 ZINC000358645842 458126035 /nfs/dbraw/zinc/12/60/35/458126035.db2.gz CXIKQUCXOOQYQU-ZDUSSCGKSA-N -1 0 337.408 3.473 20 30 EGEDRM C=CC[C@H]1N(S(=O)(=O)c2cc(C(=O)[O-])cs2)CCCC1(C)C ZINC000435469343 458153250 /nfs/dbraw/zinc/15/32/50/458153250.db2.gz UQEOACKFINCRHN-GFCCVEGCSA-N -1 0 343.470 3.202 20 30 EGEDRM Cc1cc2n[nH]cc2cc1[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000358796789 458222868 /nfs/dbraw/zinc/22/28/68/458222868.db2.gz FTJMPXMGPSKJIL-UHFFFAOYSA-N -1 0 346.799 3.197 20 30 EGEDRM CC(C)c1ccc(-n2cc([O-])c(C(=O)NCC3(CC#N)CC3)n2)cc1 ZINC000435957863 458229025 /nfs/dbraw/zinc/22/90/25/458229025.db2.gz MQBRWSRTNRGLIU-UHFFFAOYSA-N -1 0 338.411 3.125 20 30 EGEDRM C=C[C@@H]1CCCCN1S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1C ZINC000447157704 458268930 /nfs/dbraw/zinc/26/89/30/458268930.db2.gz OIGKBMRSTLJIHT-GFCCVEGCSA-N -1 0 343.832 3.076 20 30 EGEDRM C=C[C@@H]1CCCCN1C(=O)c1nn(-c2ccccc2CC)cc1[O-] ZINC000429474721 458336439 /nfs/dbraw/zinc/33/64/39/458336439.db2.gz LIPYKYCOVNJFSH-OAHLLOKOSA-N -1 0 325.412 3.321 20 30 EGEDRM COC(=O)c1ccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)[nH]1 ZINC000429564864 458346884 /nfs/dbraw/zinc/34/68/84/458346884.db2.gz GTSAEJWHKULSND-SECBINFHSA-N -1 0 331.397 3.045 20 30 EGEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccccc1O[C@@H](C)C(F)(F)F ZINC000416958086 458358634 /nfs/dbraw/zinc/35/86/34/458358634.db2.gz LMEFZXKBVYGATR-UWVGGRQHSA-N -1 0 336.335 3.060 20 30 EGEDRM C=CCC[C@H](NC(=O)[C@@H](OC1CCCC1)c1ccccc1)C(=O)[O-] ZINC000448991656 458418090 /nfs/dbraw/zinc/41/80/90/458418090.db2.gz JNFVFGWAHZTOFR-IRXDYDNUSA-N -1 0 331.412 3.223 20 30 EGEDRM COc1ccc(CN=c2[n-]nc(S[C@H]3CC[C@@H](C#N)C3)s2)cc1 ZINC000450779357 458456789 /nfs/dbraw/zinc/45/67/89/458456789.db2.gz WETADXJRYICVHJ-OCCSQVGLSA-N -1 0 346.481 3.365 20 30 EGEDRM C[C@H]1CCC[C@](C#N)([N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)C1 ZINC000450993717 458462237 /nfs/dbraw/zinc/46/22/37/458462237.db2.gz WOMWSGLSINAINL-XPTSAGLGSA-N -1 0 348.802 3.369 20 30 EGEDRM C[C@@H]1CCC[C@](C#N)([N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)C1 ZINC000450993716 458462571 /nfs/dbraw/zinc/46/25/71/458462571.db2.gz WOMWSGLSINAINL-OTYXRUKQSA-N -1 0 348.802 3.369 20 30 EGEDRM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)s2)cc1-c1ncco1 ZINC000373820246 458614288 /nfs/dbraw/zinc/61/42/88/458614288.db2.gz TWUVTBLMMKPBPB-UHFFFAOYSA-N -1 0 345.405 3.384 20 30 EGEDRM CC(C)C[C@H](CNC(=O)Nc1ccc(C(C)(C)C#N)cc1)C(=O)[O-] ZINC000424466526 458647391 /nfs/dbraw/zinc/64/73/91/458647391.db2.gz GSQBCXSVVNPQPU-CYBMUJFWSA-N -1 0 331.416 3.356 20 30 EGEDRM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2OC)c(C)c1 ZINC000546707872 458662374 /nfs/dbraw/zinc/66/23/74/458662374.db2.gz ZDTJKJLCGRMFSS-UHFFFAOYSA-N -1 0 346.408 3.075 20 30 EGEDRM CCCc1nc(C)c(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)s1 ZINC000530708248 458815401 /nfs/dbraw/zinc/81/54/01/458815401.db2.gz JBBWZYOWLOGZGP-LLVKDONJSA-N -1 0 339.424 3.474 20 30 EGEDRM Cc1ccc2nc(C([O-])=C(C#N)c3nnc4n3CCCCC4)ccc2c1 ZINC000551927661 458889752 /nfs/dbraw/zinc/88/97/52/458889752.db2.gz JNCKMJKLMDJENZ-OAHLLOKOSA-N -1 0 345.406 3.351 20 30 EGEDRM C=CCc1cc(CN=c2nc(C(C)C)[n-]s2)cc(OC)c1OC ZINC000566714827 458986814 /nfs/dbraw/zinc/98/68/14/458986814.db2.gz AQWVAMGQEWXEJH-UHFFFAOYSA-N -1 0 333.457 3.441 20 30 EGEDRM CCc1cccc(S(=O)(=O)[N-]c2cc(C)c(N(C)C)cc2C#N)c1 ZINC000567443062 459105437 /nfs/dbraw/zinc/10/54/37/459105437.db2.gz RFNBWSRJSSEYLY-UHFFFAOYSA-N -1 0 343.452 3.296 20 30 EGEDRM CCc1cc(C#N)c([N-]S(=O)(=O)c2cccc(COC)c2)s1 ZINC000590592715 459155446 /nfs/dbraw/zinc/15/54/46/459155446.db2.gz VKVMSIYUFAJOFW-UHFFFAOYSA-N -1 0 336.438 3.129 20 30 EGEDRM C=CCn1c(-c2ccc(Cl)cc2)n[n-]c1=Nc1c(C)n[nH]c1C ZINC000558456222 459161826 /nfs/dbraw/zinc/16/18/26/459161826.db2.gz RVBJLRXFDUBHEL-UHFFFAOYSA-N -1 0 328.807 3.290 20 30 EGEDRM C=CCC[C@H](NC(=O)N[C@H]1CCSc2c(F)cccc21)C(=O)[O-] ZINC000579681189 459250989 /nfs/dbraw/zinc/25/09/89/459250989.db2.gz USBKEWLKAMOMPW-STQMWFEESA-N -1 0 338.404 3.081 20 30 EGEDRM N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)C[C@@H](C(=O)[O-])c1ccccc1 ZINC000591325084 459355557 /nfs/dbraw/zinc/35/55/57/459355557.db2.gz UOEWVTOXNJAGAC-RTBURBONSA-N -1 0 348.402 3.310 20 30 EGEDRM O=C([O-])[C@@H]1CCCCN1C(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC000539574202 459377422 /nfs/dbraw/zinc/37/74/22/459377422.db2.gz QBBBXXNVBSYQMA-IBGZPJMESA-N -1 0 333.387 3.166 20 30 EGEDRM CC(C)(C)OC(=O)NC(C)(C)CN=Nc1ccc(C(=O)[O-])cc1F ZINC000497019239 459408263 /nfs/dbraw/zinc/40/82/63/459408263.db2.gz IQNATEZLROHZMU-UHFFFAOYSA-N -1 0 339.367 3.225 20 30 EGEDRM CC(C)C[C@H](CNc1cccc(-n2cccn2)c1C#N)CC(=O)[O-] ZINC000595971275 459490237 /nfs/dbraw/zinc/49/02/37/459490237.db2.gz JVNDGFRSRXFWAA-AWEZNQCLSA-N -1 0 326.400 3.293 20 30 EGEDRM COC(=O)c1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cc1 ZINC000592398697 459592152 /nfs/dbraw/zinc/59/21/52/459592152.db2.gz HAFCFMFOVJKABT-CYBMUJFWSA-N -1 0 326.377 3.297 20 30 EGEDRM COC(=O)c1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)c(F)c1 ZINC000592399466 459593541 /nfs/dbraw/zinc/59/35/41/459593541.db2.gz REEUMAPFAWNPLZ-LBPRGKRZSA-N -1 0 344.367 3.436 20 30 EGEDRM C=CCOc1ccc(/C=C\C(=O)NC(C)(C)CCC(=O)[O-])cc1OC ZINC000492116717 459691608 /nfs/dbraw/zinc/69/16/08/459691608.db2.gz IBBABSCKBDYXIM-CLFYSBASSA-N -1 0 347.411 3.033 20 30 EGEDRM COc1ccc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)cn1 ZINC000592974102 459725909 /nfs/dbraw/zinc/72/59/09/459725909.db2.gz NTZMXZDQILSVQS-LLVKDONJSA-N -1 0 327.340 3.329 20 30 EGEDRM CCC(C#N)(CC)C(=O)[N-]S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000528970840 459819556 /nfs/dbraw/zinc/81/95/56/459819556.db2.gz HZBRPSHUSKVPEE-UHFFFAOYSA-N -1 0 342.486 3.180 20 30 EGEDRM C=C(C)Cn1c(CC(F)(F)F)n[n-]c1=Nc1cccc(OC)c1 ZINC000566222483 459825786 /nfs/dbraw/zinc/82/57/86/459825786.db2.gz ZAYSGVBOBMGYHX-UHFFFAOYSA-N -1 0 326.322 3.133 20 30 EGEDRM C=CCC1(NC(=O)N=c2ccc(C(F)(F)F)n[n-]2)CCCCC1 ZINC000574727986 459860641 /nfs/dbraw/zinc/86/06/41/459860641.db2.gz PAXGLLSXLYSLRY-UHFFFAOYSA-N -1 0 328.338 3.318 20 30 EGEDRM Cn1c(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)ccc1[N+](=O)[O-] ZINC000609321851 459943196 /nfs/dbraw/zinc/94/31/96/459943196.db2.gz NZLKQHVZTSLNGJ-SECBINFHSA-N -1 0 344.327 3.172 20 30 EGEDRM Cn1c(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)ccc1[N+](=O)[O-] ZINC000609321852 459944065 /nfs/dbraw/zinc/94/40/65/459944065.db2.gz NZLKQHVZTSLNGJ-VIFPVBQESA-N -1 0 344.327 3.172 20 30 EGEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1ccccc1SCC(F)(F)F ZINC000610254560 460097585 /nfs/dbraw/zinc/09/75/85/460097585.db2.gz VXGZHFNZSHGQTM-SECBINFHSA-N -1 0 338.376 3.385 20 30 EGEDRM C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)N=c1[n-]n(C)cc1C#N ZINC000610564539 460183893 /nfs/dbraw/zinc/18/38/93/460183893.db2.gz IQVQBWNTQLKGDI-RYUDHWBXSA-N -1 0 345.834 3.023 20 30 EGEDRM N#Cc1cnc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)s1 ZINC000610725169 460226809 /nfs/dbraw/zinc/22/68/09/460226809.db2.gz JXKNDUNWFOZXIU-UHFFFAOYSA-N -1 0 347.465 3.285 20 30 EGEDRM CC(C)c1ccc2c(c1)[C@@H](NC(=O)N=c1[n-]n(C)cc1C#N)CCC2 ZINC000611195566 460306400 /nfs/dbraw/zinc/30/64/00/460306400.db2.gz DITYUHAEQCIGFJ-KRWDZBQOSA-N -1 0 337.427 3.036 20 30 EGEDRM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000619461145 460362296 /nfs/dbraw/zinc/36/22/96/460362296.db2.gz HHMHJZSQVVHBIB-UHFFFAOYSA-N -1 0 336.800 3.215 20 30 EGEDRM CC[C@H](C)n1nc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1C ZINC000619463619 460362938 /nfs/dbraw/zinc/36/29/38/460362938.db2.gz CLSKNSDXUAKNOF-LBPRGKRZSA-N -1 0 332.429 3.029 20 30 EGEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)C1(c2cccs2)CCCCC1 ZINC000601738318 460886202 /nfs/dbraw/zinc/88/62/02/460886202.db2.gz SCWPFTVJOLHTLZ-UHFFFAOYSA-N -1 0 340.452 3.483 20 30 EGEDRM N#Cc1ccc(-n2[n-]c3c(c2=O)CSCC3)c(C(F)(F)F)c1 ZINC000601950994 460958826 /nfs/dbraw/zinc/95/88/26/460958826.db2.gz YJLOPWHZUSFZGR-SECBINFHSA-N -1 0 325.315 3.033 20 30 EGEDRM N#Cc1cccc(-c2cc(=O)n(CCCOCc3ccccc3)[n-]2)c1 ZINC000601954628 460959461 /nfs/dbraw/zinc/95/94/61/460959461.db2.gz QMDTUUQDMSVKCZ-UHFFFAOYSA-N -1 0 333.391 3.102 20 30 EGEDRM C[C@@H](S[C@H](C)C(=O)Nc1scc(C(C)(C)C)c1C#N)C(=O)[O-] ZINC000601994348 460977247 /nfs/dbraw/zinc/97/72/47/460977247.db2.gz QLATWHLBIFWEHO-RKDXNWHRSA-N -1 0 340.470 3.451 20 30 EGEDRM C=CCN(CC1CCCCC1)C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000659758733 461402362 /nfs/dbraw/zinc/40/23/62/461402362.db2.gz XTOZANKOYLQOQT-UHFFFAOYSA-N -1 0 331.412 3.359 20 30 EGEDRM C=CCOc1c(Cl)cc(CN=c2[n-]nc(C(C)C)o2)cc1OC ZINC000630952556 461433796 /nfs/dbraw/zinc/43/37/96/461433796.db2.gz IYWIOHHCIUMQLY-UHFFFAOYSA-N -1 0 337.807 3.454 20 30 EGEDRM C=CCN(C(=O)N=c1[n-]nc(-c2c(F)cccc2F)s1)C1CC1 ZINC000640440836 462405856 /nfs/dbraw/zinc/40/58/56/462405856.db2.gz MBLBJRDPAQXUQT-UHFFFAOYSA-N -1 0 336.367 3.088 20 30 EGEDRM C=CCCCCCN(C)C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000652109523 462437161 /nfs/dbraw/zinc/43/71/61/462437161.db2.gz LRUYNNRQABXBSX-LJQANCHMSA-N -1 0 332.444 3.417 20 30 EGEDRM C=C[C@H](CC(=O)NCc1nc(C)c(C(=O)[O-])s1)c1ccccc1 ZINC000683324849 550218149 /nfs/dbraw/zinc/21/81/49/550218149.db2.gz PPNMGDREDWPJEL-GFCCVEGCSA-N -1 0 330.409 3.126 20 30 EGEDRM Cc1nnc(NN=Cc2ccc(Cl)c(C(F)(F)F)c2)[n-]c1=O ZINC000727254419 574656057 /nfs/dbraw/zinc/65/60/57/574656057.db2.gz SFOBCGQRUSTLFW-UHFFFAOYSA-N -1 0 331.685 3.004 20 30 EGEDRM O=C([O-])C1CCC(=NNCc2ccc(Br)cc2)CC1 ZINC000738532103 574776224 /nfs/dbraw/zinc/77/62/24/574776224.db2.gz XJQLZMRUILFWTA-UHFFFAOYSA-N -1 0 325.206 3.170 20 30 EGEDRM CON=Cc1ccc(C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)cc1 ZINC000737838882 574965395 /nfs/dbraw/zinc/96/53/95/574965395.db2.gz DMBNLSSFQYYCEA-KRWDZBQOSA-N -1 0 340.379 3.003 20 30 EGEDRM C[C@@H](OC(=O)c1ccccc1Sc1ccccc1C#N)C(=O)[O-] ZINC000737719988 575016933 /nfs/dbraw/zinc/01/69/33/575016933.db2.gz XVMAOPSKKPWANV-LLVKDONJSA-N -1 0 327.361 3.339 20 30 EGEDRM N#Cc1ccc(Oc2c3ccccc3nnc2-c2nnn[n-]2)c(Cl)c1 ZINC000737722538 575083924 /nfs/dbraw/zinc/08/39/24/575083924.db2.gz WDDMQGQCKKAWST-UHFFFAOYSA-N -1 0 349.741 3.127 20 30 EGEDRM CCc1cccc2c1NC(=O)C2=N[N-]c1nc(-c2ccccc2)no1 ZINC000733075976 575305572 /nfs/dbraw/zinc/30/55/72/575305572.db2.gz FFFRTNYEJBEYKE-UHFFFAOYSA-N -1 0 333.351 3.067 20 30 EGEDRM CCc1ccccc1NN=Cc1ccc(OC)cc1OCC(=O)[O-] ZINC000734365107 575474057 /nfs/dbraw/zinc/47/40/57/575474057.db2.gz BRDVZKNZCYVXLU-UHFFFAOYSA-N -1 0 328.368 3.167 20 30 EGEDRM O=C([O-])c1csc(CN=Nc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000755651726 575593288 /nfs/dbraw/zinc/59/32/88/575593288.db2.gz YWDIMDVYFUMSDP-UHFFFAOYSA-N -1 0 325.733 3.454 20 30 EGEDRM C#CCOc1cccc(Oc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])c1 ZINC000736087144 575897708 /nfs/dbraw/zinc/89/77/08/575897708.db2.gz CHCVRVPPPZCEHK-VQHVLOKHSA-N -1 0 339.303 3.497 20 30 EGEDRM C=C(C)CN(CC)C(=O)[C@H](C)Sc1nc2ccc(C(=O)[O-])cc2o1 ZINC000736095042 575898859 /nfs/dbraw/zinc/89/88/59/575898859.db2.gz GGMPADRGILLFKT-NSHDSACASA-N -1 0 348.424 3.431 20 30 EGEDRM C=CC[C@@H](NC(=O)N1Cc2ccc(C(=O)[O-])cc2C1)c1ccncc1 ZINC000736096948 575899244 /nfs/dbraw/zinc/89/92/44/575899244.db2.gz UDUPHKQZBFAALK-QGZVFWFLSA-N -1 0 337.379 3.122 20 30 EGEDRM C=CCCC(=O)OCC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC000736097366 575899272 /nfs/dbraw/zinc/89/92/72/575899272.db2.gz JUPKJUULWXVGHE-UHFFFAOYSA-N -1 0 346.166 3.140 20 30 EGEDRM C[C@@H](Cc1ccc(F)cc1)C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736621575 575994412 /nfs/dbraw/zinc/99/44/12/575994412.db2.gz CTZXZNHGZFACFX-YVEFUNNKSA-N -1 0 341.338 3.245 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2cc3occc3s2)n1 ZINC000736893507 576056122 /nfs/dbraw/zinc/05/61/22/576056122.db2.gz UNCBUMQECHHRDW-SECBINFHSA-N -1 0 346.389 3.293 20 30 EGEDRM CCO[C@@H](C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccccc1 ZINC000737157724 576126400 /nfs/dbraw/zinc/12/64/00/576126400.db2.gz WUZHTHNVOFVBNX-DLBZAZTESA-N -1 0 339.347 3.005 20 30 EGEDRM CCc1[nH]c(C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)c(C)c1C(=O)[O-] ZINC000737241348 576146620 /nfs/dbraw/zinc/14/66/20/576146620.db2.gz NKBXJYWQVCHFEA-ZDUSSCGKSA-N -1 0 345.786 3.232 20 30 EGEDRM CN(CCCC(=O)N1CCCSC1=Nc1ccccc1)C(=O)[O-] ZINC000737416961 576224252 /nfs/dbraw/zinc/22/42/52/576224252.db2.gz DDYRYCWSRRRVAX-UHFFFAOYSA-N -1 0 335.429 3.030 20 30 EGEDRM N#CCCSc1ccccc1NC(=O)c1ccc(C(=O)[O-])cn1 ZINC000739076551 576377020 /nfs/dbraw/zinc/37/70/20/576377020.db2.gz YWXVMJIKOIBZSJ-UHFFFAOYSA-N -1 0 327.365 3.038 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)c2cc(Cl)c(Cl)[nH]2)C(=O)[O-])cc1 ZINC000739113943 576378537 /nfs/dbraw/zinc/37/85/37/576378537.db2.gz CPVVPRFXCSSUFS-NSHDSACASA-N -1 0 339.134 3.176 20 30 EGEDRM O=C([O-])C(F)(F)Oc1ccc(/C=C2/Oc3ccccc3C2=O)cc1 ZINC000742437980 576784253 /nfs/dbraw/zinc/78/42/53/576784253.db2.gz YLBUJYWQGHFPKY-NTEUORMPSA-N -1 0 332.258 3.359 20 30 EGEDRM N#CCC[C@H](NC(=O)Nc1cccc(CC(=O)[O-])c1)c1ccccc1 ZINC000821320142 597355428 /nfs/dbraw/zinc/35/54/28/597355428.db2.gz JYNPCMZBOUIJFK-KRWDZBQOSA-N -1 0 337.379 3.480 20 30 EGEDRM CC(C)(C)Oc1c(F)cc(NC(=O)[C@](C)(C#N)CC(=O)[O-])cc1F ZINC000819927096 597721198 /nfs/dbraw/zinc/72/11/98/597721198.db2.gz BKCVGDPVTMKYDC-INIZCTEOSA-N -1 0 340.326 3.085 20 30 EGEDRM N#Cc1ccc(C2=CCN(C(=O)c3cccc(C(=O)[O-])c3)CC2)cc1 ZINC000821329914 598149298 /nfs/dbraw/zinc/14/92/98/598149298.db2.gz OAWPTKUDKNWIEX-UHFFFAOYSA-N -1 0 332.359 3.186 20 30 EGEDRM C#CCn1cnc(-c2ccccc2)c1NC(=O)c1ccc(C(=O)[O-])cc1 ZINC000819705806 598155259 /nfs/dbraw/zinc/15/52/59/598155259.db2.gz HNHQIGNWBAVJRE-UHFFFAOYSA-N -1 0 345.358 3.134 20 30 EGEDRM CN1C(=O)CCc2cc(C(=O)/C=C\c3cccc(C(=O)[O-])c3)ccc21 ZINC000606442757 598201658 /nfs/dbraw/zinc/20/16/58/598201658.db2.gz CQYXRRAPMCMVNX-UITAMQMPSA-N -1 0 335.359 3.190 20 30 EGEDRM Cc1c(C(=O)/C=C\c2cccc(C(=O)[O-])c2)cnn1-c1ccccn1 ZINC000774128612 598201722 /nfs/dbraw/zinc/20/17/22/598201722.db2.gz ACWKITOFRIRIQN-HJWRWDBZSA-N -1 0 333.347 3.170 20 30 EGEDRM C=CCNC(=O)Nc1ccc(NCc2cccc(C(=O)[O-])c2)cc1 ZINC000819720223 598203682 /nfs/dbraw/zinc/20/36/82/598203682.db2.gz OJGZVDXWQDCYKC-UHFFFAOYSA-N -1 0 325.368 3.304 20 30 EGEDRM Cc1sc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])nc1-c1ccccc1 ZINC000821257866 598222330 /nfs/dbraw/zinc/22/23/30/598222330.db2.gz WOLCXSWPTBHOPJ-MRXNPFEDSA-N -1 0 329.381 3.062 20 30 EGEDRM Cc1nc(-c2cccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])c2)cs1 ZINC000821152451 598222807 /nfs/dbraw/zinc/22/28/07/598222807.db2.gz BXJWJEXPPQANJC-INIZCTEOSA-N -1 0 329.381 3.062 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NCC1(c2ccccc2)CCCCC1 ZINC000819833057 598223775 /nfs/dbraw/zinc/22/37/75/598223775.db2.gz DYHCQTPBERJCQP-GOSISDBHSA-N -1 0 328.412 3.009 20 30 EGEDRM C[C@@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])c1c(Cl)ccc(F)c1Cl ZINC000820113537 598224714 /nfs/dbraw/zinc/22/47/14/598224714.db2.gz BNOSELOJILDXCT-UOWDBTKRSA-N -1 0 347.173 3.314 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000819846854 598229750 /nfs/dbraw/zinc/22/97/50/598229750.db2.gz HGKWMVFOLWJEBS-AWEZNQCLSA-N -1 0 328.290 3.125 20 30 EGEDRM Cc1cc(-c2csc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])n2)ccc1F ZINC000820949288 598230079 /nfs/dbraw/zinc/23/00/79/598230079.db2.gz LLUQJSLHEIVMGX-MRXNPFEDSA-N -1 0 347.371 3.201 20 30 EGEDRM C=CCN(Cc1ccccc1F)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000263467700 600027525 /nfs/dbraw/zinc/02/75/25/600027525.db2.gz KMYSNBBSTNWCJU-UHFFFAOYSA-N -1 0 334.391 3.167 20 30 EGEDRM Cc1ccc(NC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)cc1C(=O)[O-] ZINC000832942314 601066505 /nfs/dbraw/zinc/06/65/05/601066505.db2.gz XRHIADPBLVTPIT-GOSISDBHSA-N -1 0 349.390 3.172 20 30 EGEDRM N#Cc1cccc(C(=O)N2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])c1 ZINC000833073905 601091567 /nfs/dbraw/zinc/09/15/67/601091567.db2.gz KBPVFMCYXPVJQZ-IAGOWNOFSA-N -1 0 326.396 3.054 20 30 EGEDRM N#CCc1ccc(NC(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)cc1 ZINC000833069421 601309766 /nfs/dbraw/zinc/30/97/66/601309766.db2.gz XOXPNSSRYULRQD-MRXNPFEDSA-N -1 0 341.342 3.229 20 30 EGEDRM CSc1ccc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000832774517 601346570 /nfs/dbraw/zinc/34/65/70/601346570.db2.gz NEXRTGSACHFQLP-HNNXBMFYSA-N -1 0 327.361 3.263 20 30 EGEDRM CSc1ccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000832774518 601346635 /nfs/dbraw/zinc/34/66/35/601346635.db2.gz NEXRTGSACHFQLP-OAHLLOKOSA-N -1 0 327.361 3.263 20 30 EGEDRM Cn1cc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)c2ccccc21 ZINC000833042264 601347057 /nfs/dbraw/zinc/34/70/57/601347057.db2.gz LFSHKIHSYWDNRA-QGZVFWFLSA-N -1 0 334.331 3.033 20 30 EGEDRM CCOc1c(F)cccc1C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830026729 601354737 /nfs/dbraw/zinc/35/47/37/601354737.db2.gz AUWMUFQHUFDAPK-OAHLLOKOSA-N -1 0 343.310 3.079 20 30 EGEDRM CCOC(=O)c1ccc(C#N)c(SCc2cc(C)c(C(=O)[O-])o2)n1 ZINC000829878274 601405937 /nfs/dbraw/zinc/40/59/37/601405937.db2.gz QZUYIJQDFFCESL-UHFFFAOYSA-N -1 0 346.364 3.022 20 30 EGEDRM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000833064893 601427137 /nfs/dbraw/zinc/42/71/37/601427137.db2.gz OKRGFJBKMOYCLS-XDNAFOTISA-N -1 0 340.423 3.176 20 30 EGEDRM C[C@@H](OC(=O)c1ccc(Sc2ccccc2C#N)cc1)C(=O)[O-] ZINC000827860245 601430481 /nfs/dbraw/zinc/43/04/81/601430481.db2.gz CGCNYBQPPQTQDQ-LLVKDONJSA-N -1 0 327.361 3.339 20 30 EGEDRM N#Cc1ccc([C@H](Nc2ccc(OCC(F)F)cc2)C(=O)[O-])cc1 ZINC000833071333 601433941 /nfs/dbraw/zinc/43/39/41/601433941.db2.gz FCWPRERVKCDGQK-INIZCTEOSA-N -1 0 332.306 3.440 20 30 EGEDRM C=CCCCC(=O)Nc1cccc(C(=O)N2CCCC[C@@H]2C(=O)[O-])c1 ZINC000825671538 601437810 /nfs/dbraw/zinc/43/78/10/601437810.db2.gz SKNPOJORIUXSQF-MRXNPFEDSA-N -1 0 344.411 3.061 20 30 EGEDRM N#Cc1ccccc1-c1ccccc1C(=O)N[C@@H](CC(=O)[O-])C1CC1 ZINC000833074997 601526682 /nfs/dbraw/zinc/52/66/82/601526682.db2.gz IKCOXLFWAGTOTA-SFHVURJKSA-N -1 0 334.375 3.208 20 30 EGEDRM Cc1sc(C(=O)[O-])cc1COC(=O)CSc1ccc(C#N)cc1 ZINC000833031168 601727951 /nfs/dbraw/zinc/72/79/51/601727951.db2.gz HYMMSGHLFOWPOK-UHFFFAOYSA-N -1 0 347.417 3.462 20 30 EGEDRM COc1ccc(C(=O)[O-])c(OCc2ccc(C#N)cc2OC(F)F)c1 ZINC000832183207 601786587 /nfs/dbraw/zinc/78/65/87/601786587.db2.gz RUJXFEUPBIUKCX-UHFFFAOYSA-N -1 0 349.289 3.445 20 30 EGEDRM C[C@H]1CN(C(=O)Nc2ccccc2C#Cc2ccccc2)C[C@@H]1C(=O)[O-] ZINC000828378151 601796321 /nfs/dbraw/zinc/79/63/21/601796321.db2.gz OSTWEJWLKHSWTM-YJBOKZPZSA-N -1 0 348.402 3.271 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)CCc1ccoc1 ZINC000825702573 601800247 /nfs/dbraw/zinc/80/02/47/601800247.db2.gz QNULVHJLVMFUSO-UHFFFAOYSA-N -1 0 330.336 3.253 20 30 EGEDRM C[C@H](C#N)CN(C)C(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000825966527 601987772 /nfs/dbraw/zinc/98/77/72/601987772.db2.gz GEGLOHGQWZYVNN-MRVPVSSYSA-N -1 0 329.278 3.027 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)c2c[nH]c3ccc(F)cc32)C(=O)[O-])cc1 ZINC000833073108 602104814 /nfs/dbraw/zinc/10/48/14/602104814.db2.gz VRIBUOUVDWSCNT-INIZCTEOSA-N -1 0 338.294 3.161 20 30 EGEDRM COc1cccc(C(=O)/C=C/c2ccc(O[C@H](C)C(=O)[O-])cc2)c1 ZINC000794692918 602105577 /nfs/dbraw/zinc/10/55/77/602105577.db2.gz ZGEBVWDSMHTHRE-RUNBWSAHSA-N -1 0 326.348 3.443 20 30 EGEDRM Cc1cc(NCc2nnc(-c3ccc(C#N)cc3)o2)ccc1C(=O)[O-] ZINC000821041937 602128062 /nfs/dbraw/zinc/12/80/62/602128062.db2.gz ZOPPPUDFEDBBHZ-UHFFFAOYSA-N -1 0 334.335 3.227 20 30 EGEDRM CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000826723878 602187810 /nfs/dbraw/zinc/18/78/10/602187810.db2.gz ZIGDEAQWPNXBPO-HNNXBMFYSA-N -1 0 344.392 3.360 20 30 EGEDRM C[C@H](OC1CCCCCC1)C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000827873845 602264875 /nfs/dbraw/zinc/26/48/75/602264875.db2.gz QXNDIXWIOLCVQU-GUYCJALGSA-N -1 0 345.395 3.355 20 30 EGEDRM N#C[C@H](NC(=O)c1cccc(NC(=O)[O-])c1)c1ccc(Cl)cc1 ZINC000739074891 602684113 /nfs/dbraw/zinc/68/41/13/602684113.db2.gz MXABIYAOIYCERD-AWEZNQCLSA-N -1 0 329.743 3.425 20 30 EGEDRM N#Cc1c(NC(=O)c2ccc(C(=O)[O-])c(F)c2)sc2c1CCC2 ZINC000833068502 604375515 /nfs/dbraw/zinc/37/55/15/604375515.db2.gz YXXBAMDFDZWIAE-UHFFFAOYSA-N -1 0 330.340 3.198 20 30 EGEDRM N#Cc1c(CSc2nnnn2C2CCCCC2)cccc1C(=O)[O-] ZINC000833761306 604551587 /nfs/dbraw/zinc/55/15/87/604551587.db2.gz UCOCTMCXFONERU-UHFFFAOYSA-N -1 0 343.412 3.040 20 30 EGEDRM C#CCOCCC(=O)Nc1ccc(Oc2ccccc2)cc1C(=O)[O-] ZINC000833364203 604555292 /nfs/dbraw/zinc/55/52/92/604555292.db2.gz LHKZGUQTLDKGLI-UHFFFAOYSA-N -1 0 339.347 3.156 20 30 EGEDRM Cc1cc([C@H](C)OC(=O)[C@@H](C)Oc2ccc(C#N)cc2)oc1C(=O)[O-] ZINC000832877052 604555428 /nfs/dbraw/zinc/55/54/28/604555428.db2.gz SCDUEJSCKAUVAH-NWDGAFQWSA-N -1 0 343.335 3.230 20 30 EGEDRM C=C(C)[C@H](CC(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1)OCC ZINC000833367848 604561422 /nfs/dbraw/zinc/56/14/22/604561422.db2.gz WUUMZUVYGGKNRG-GJZGRUSLSA-N -1 0 339.819 3.343 20 30 EGEDRM COc1ccc(C#N)cc1COC(=O)c1ccccc1N(C)C(=O)[O-] ZINC000832153114 604596868 /nfs/dbraw/zinc/59/68/68/604596868.db2.gz UIGQQEGOHGIJRY-UHFFFAOYSA-N -1 0 340.335 3.038 20 30 EGEDRM C[C@H]1CN(Cc2cccc(C(=O)[O-])c2C#N)C[C@H](c2ccsc2)O1 ZINC000833630403 604613878 /nfs/dbraw/zinc/61/38/78/604613878.db2.gz SGNLSCJWHGXNSG-YVEFUNNKSA-N -1 0 342.420 3.280 20 30 EGEDRM COc1ccc(NC(=S)NN=C(C)c2ccc(C(=O)[O-])cc2)cc1 ZINC000832408188 604637071 /nfs/dbraw/zinc/63/70/71/604637071.db2.gz QOOSIDNMZVQGKG-UHFFFAOYSA-N -1 0 343.408 3.104 20 30 EGEDRM Cc1ccc2cc(C(=O)O[C@H](C(=O)[O-])c3cccc(C#N)c3)ccc2n1 ZINC000832961979 604844322 /nfs/dbraw/zinc/84/43/22/604844322.db2.gz MFFLASLJRLPKKA-SFHVURJKSA-N -1 0 346.342 3.398 20 30 EGEDRM O=C([O-])c1ccc(CCC(=O)OCC#Cc2ccc(F)cc2)cc1 ZINC000833102143 604865257 /nfs/dbraw/zinc/86/52/57/604865257.db2.gz MCHALQZROCDTGI-UHFFFAOYSA-N -1 0 326.323 3.051 20 30 EGEDRM CN(C(=O)c1cc2ccccc2n1CC#N)C1(C(=O)[O-])CCCCC1 ZINC000833686570 604867392 /nfs/dbraw/zinc/86/73/92/604867392.db2.gz YRDWWCLLIYPFNO-UHFFFAOYSA-N -1 0 339.395 3.024 20 30 EGEDRM C#Cc1ccc(C(=O)O[C@@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)nc1 ZINC000833368496 604881643 /nfs/dbraw/zinc/88/16/43/604881643.db2.gz OTKWQKQNRQQMSR-AWEZNQCLSA-N -1 0 349.264 3.222 20 30 EGEDRM C=CCN(C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12)C1CC1 ZINC000833374977 604969911 /nfs/dbraw/zinc/96/99/11/604969911.db2.gz BVKQEENYMXFDCB-UHFFFAOYSA-N -1 0 340.379 3.486 20 30 EGEDRM C[C@H](C(=O)[O-])n1cccc1CN=Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000833406033 605039830 /nfs/dbraw/zinc/03/98/30/605039830.db2.gz KLXZUKUSZFSALG-SECBINFHSA-N -1 0 336.735 3.141 20 30 EGEDRM C#CCOc1cccc([C@H](C)OC(=O)C2CCC(C(=O)[O-])CC2)c1 ZINC000833366999 605116830 /nfs/dbraw/zinc/11/68/30/605116830.db2.gz OMOOGDLNTSFQFU-NFOMZHRRSA-N -1 0 330.380 3.194 20 30 EGEDRM C=CCN(CC=C)C(=O)Nc1ccc(Br)cc1C(=O)[O-] ZINC000050208681 605130150 /nfs/dbraw/zinc/13/01/50/605130150.db2.gz VHBVAADUBICFTP-UHFFFAOYSA-N -1 0 339.189 3.353 20 30 EGEDRM CC(=NNc1ccc(C(=O)[O-])c(Cl)c1)c1ccc2c(c1)CC(=O)N2 ZINC000833386441 605155927 /nfs/dbraw/zinc/15/59/27/605155927.db2.gz DVQOJGQSHIUWRW-UHFFFAOYSA-N -1 0 343.770 3.369 20 30 EGEDRM C=CCOc1ccccc1C(=O)O[C@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC000833378827 605499448 /nfs/dbraw/zinc/49/94/48/605499448.db2.gz OLUSEGYYJZKOPB-QGZVFWFLSA-N -1 0 344.338 3.243 20 30 EGEDRM C=CCOc1ccc(C(=O)Oc2ccc(CC(=O)[O-])cc2F)cc1 ZINC000833377862 605801091 /nfs/dbraw/zinc/80/10/91/605801091.db2.gz PPKRMRRYXFENFF-UHFFFAOYSA-N -1 0 330.311 3.237 20 30 EGEDRM Cc1ccc(F)cc1CN=Nc1oc(C(C)(C)C)nc1-c1nnn[n-]1 ZINC000826289499 609304293 /nfs/dbraw/zinc/30/42/93/609304293.db2.gz CPHIKFSNHAYKSK-UHFFFAOYSA-N -1 0 343.366 3.046 20 30 EGEDRM Fc1ccc(C=CC=Nn2c(=S)[n-]nc2C(F)(F)F)cc1F ZINC000794863603 1309611691 /nfs/dbraw/zinc/61/16/91/1309611691.db2.gz HAYFOJHJJNONEW-CWSYNHRASA-N -1 0 334.273 3.411 20 30 EGEDRM C[C@H](/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1nnc2ccccn21 ZINC000015149757 1291146769 /nfs/dbraw/zinc/14/67/69/1291146769.db2.gz XPXFQTDTGFKVMS-PCYPHTAMSA-N -1 0 345.746 3.177 20 30 EGEDRM C[C@@H](/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1nnc2ccccn21 ZINC000015149755 1291147056 /nfs/dbraw/zinc/14/70/56/1291147056.db2.gz XPXFQTDTGFKVMS-YFEDRJBBSA-N -1 0 345.746 3.177 20 30 EGEDRM COc1ccc(C(=O)/C=C\c2cc(OC)c([O-])c([N+](=O)[O-])c2)c(F)c1 ZINC000033432126 1291386210 /nfs/dbraw/zinc/38/62/10/1291386210.db2.gz HUIAQJAAUDUDLN-UTCJRWHESA-N -1 0 347.298 3.353 20 30 EGEDRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)CCc1ccccc1Cl ZINC000042291469 1291439752 /nfs/dbraw/zinc/43/97/52/1291439752.db2.gz PJYLZOLGNCHKNO-UHFFFAOYSA-N -1 0 342.804 3.223 20 30 EGEDRM O=C([N-]S(=O)(=O)c1cccnc1)c1ccc(SC(F)F)cc1 ZINC000042323011 1291440414 /nfs/dbraw/zinc/44/04/14/1291440414.db2.gz SQTYXHYJCVXRCA-UHFFFAOYSA-N -1 0 344.364 3.090 20 30 EGEDRM Cc1c(C(=O)[N-]S(=O)(=O)C=Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000042320835 1291440438 /nfs/dbraw/zinc/44/04/38/1291440438.db2.gz PKASVWZPTKXIII-ZHACJKMWSA-N -1 0 346.364 3.209 20 30 EGEDRM Cc1ccc(OCC(=O)[N-]S(=O)(=O)C=Cc2ccccc2)cc1 ZINC000042319483 1291440654 /nfs/dbraw/zinc/44/06/54/1291440654.db2.gz IWBPINXDVQFGBC-VAWYXSNFSA-N -1 0 331.393 3.331 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccccc2OC(F)F)cc1 ZINC000046927540 1291556804 /nfs/dbraw/zinc/55/68/04/1291556804.db2.gz PKDCVLKRIYXUML-UHFFFAOYSA-N -1 0 341.335 3.290 20 30 EGEDRM Cc1ccc(OCC(=O)[N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000046928845 1291557946 /nfs/dbraw/zinc/55/79/46/1291557946.db2.gz NXWMKJYEFVTVDZ-UHFFFAOYSA-N -1 0 345.829 3.434 20 30 EGEDRM CS[C@H](C)C(=O)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000048409305 1291603768 /nfs/dbraw/zinc/60/37/68/1291603768.db2.gz YITKFENSQKLYPT-ZCFIWIBFSA-N -1 0 328.242 3.390 20 30 EGEDRM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]C(=O)CCn1cccn1 ZINC000048471682 1291605623 /nfs/dbraw/zinc/60/56/23/1291605623.db2.gz YMDUWWFTFCWLPG-UHFFFAOYSA-N -1 0 349.456 3.225 20 30 EGEDRM C[C@@H](OCc1ccccc1)C(=O)[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000048454568 1291606211 /nfs/dbraw/zinc/60/62/11/1291606211.db2.gz AMROWQIXKYRTCI-GFCCVEGCSA-N -1 0 337.372 3.076 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(OC(C)C)nc2)cc1C ZINC000048474875 1291606643 /nfs/dbraw/zinc/60/66/43/1291606643.db2.gz OEOPYKNRWWGNAQ-UHFFFAOYSA-N -1 0 348.424 3.179 20 30 EGEDRM O=C(CCc1ccc(F)cc1)[N-]S(=O)(=O)c1ccccc1F ZINC000048588104 1291612390 /nfs/dbraw/zinc/61/23/90/1291612390.db2.gz RRDYQKARRVREHH-UHFFFAOYSA-N -1 0 325.336 3.243 20 30 EGEDRM Cc1cccc(C)c1OCC(=O)[N-]S(=O)(=O)c1ccccc1F ZINC000048587717 1291612712 /nfs/dbraw/zinc/61/27/12/1291612712.db2.gz NBUVAAXYZJUSSG-UHFFFAOYSA-N -1 0 337.372 3.167 20 30 EGEDRM O=C([N-]S(=O)(=O)c1ccc(Cl)cc1)c1ccnc(Cl)c1 ZINC000048619093 1291614284 /nfs/dbraw/zinc/61/42/84/1291614284.db2.gz OYWYXVQUTIKRMD-UHFFFAOYSA-N -1 0 331.180 3.082 20 30 EGEDRM O=C([N-]S(=O)(=O)c1cccc(Cl)c1)c1ccnc(Cl)c1 ZINC000048619272 1291614700 /nfs/dbraw/zinc/61/47/00/1291614700.db2.gz GEIXYCRVVSSGLR-UHFFFAOYSA-N -1 0 331.180 3.082 20 30 EGEDRM CCCCC1CCC(C(=O)[N-]S(=O)(=O)c2cnn(C)c2)CC1 ZINC000048675811 1291616161 /nfs/dbraw/zinc/61/61/61/1291616161.db2.gz XWWNMJNUCMFQFZ-UHFFFAOYSA-N -1 0 327.450 3.062 20 30 EGEDRM CCCOCC(=O)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000049178049 1291624995 /nfs/dbraw/zinc/62/49/95/1291624995.db2.gz RIJNGKDEVYXTSE-UHFFFAOYSA-N -1 0 326.201 3.065 20 30 EGEDRM Cc1nn(C)c(C)c1[C@H](C)C(=O)[N-]S(=O)(=O)C=Cc1ccccc1 ZINC000060766055 1291940815 /nfs/dbraw/zinc/94/08/15/1291940815.db2.gz ZMFCIJVERKFUKT-IIANPFDCSA-N -1 0 347.440 3.098 20 30 EGEDRM C=CCCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000065647604 1292084562 /nfs/dbraw/zinc/08/45/62/1292084562.db2.gz LSMSXLBVQLYPCV-ZDUSSCGKSA-N -1 0 337.441 3.192 20 30 EGEDRM Cc1cccc(OCCCCC(=O)[N-]S(=O)(=O)c2cccnc2)c1 ZINC000066002896 1292103623 /nfs/dbraw/zinc/10/36/23/1292103623.db2.gz BISUMOUTKXWDRJ-UHFFFAOYSA-N -1 0 348.424 3.285 20 30 EGEDRM CS[C@H](C)C(=O)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000069641918 1292246721 /nfs/dbraw/zinc/24/67/21/1292246721.db2.gz QBOHIJRJISGUQN-SCSAIBSYSA-N -1 0 334.271 3.452 20 30 EGEDRM CCc1ccc([C@H](C)C(=O)[N-]S(=O)(=O)C[C@H]2CCCCO2)cc1 ZINC000070036554 1292254333 /nfs/dbraw/zinc/25/43/33/1292254333.db2.gz BWESVINFAUGFIC-XJKSGUPXSA-N -1 0 339.457 3.208 20 30 EGEDRM COC[C@H](C)S(=O)(=O)[N-]C(=O)C=Cc1ccc(C(C)(C)C)cc1 ZINC000073839502 1292327746 /nfs/dbraw/zinc/32/77/46/1292327746.db2.gz HGTGLWYSEGMJOX-YKWSONSWSA-N -1 0 339.457 3.319 20 30 EGEDRM O=C(CSc1ccncc1)[N-]S(=O)(=O)c1ccccc1Cl ZINC000075797656 1292410819 /nfs/dbraw/zinc/41/08/19/1292410819.db2.gz HOENXEGLRFLXRS-UHFFFAOYSA-N -1 0 342.829 3.173 20 30 EGEDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)CCC(=O)c1ccccc1 ZINC000076756382 1292440353 /nfs/dbraw/zinc/44/03/53/1292440353.db2.gz QGTWNJXROKRGDN-UHFFFAOYSA-N -1 0 331.393 3.303 20 30 EGEDRM C[C@H]1CC[C@@H](CCC(=O)[N-]S(=O)(=O)c2ccc(Cl)s2)O1 ZINC000076757338 1292440465 /nfs/dbraw/zinc/44/04/65/1292440465.db2.gz SLDLESKDRXHAOS-IUCAKERBSA-N -1 0 337.850 3.394 20 30 EGEDRM CCC[C@H](C)C(=O)[N-]S(=O)(=O)c1cc(C)c(C)c([N+](=O)[O-])c1 ZINC000076759211 1292441214 /nfs/dbraw/zinc/44/12/14/1292441214.db2.gz BFVCIGCAPWRYQI-VIFPVBQESA-N -1 0 328.390 3.293 20 30 EGEDRM Cc1cccc(C(=O)[N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)n1 ZINC000078775902 1292526261 /nfs/dbraw/zinc/52/62/61/1292526261.db2.gz PDYOFVDRLACASG-UHFFFAOYSA-N -1 0 344.314 3.102 20 30 EGEDRM Cc1cc(C)c(C(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2F)o1 ZINC000079149441 1292544616 /nfs/dbraw/zinc/54/46/16/1292544616.db2.gz JGGFGPHSLPRRAK-UHFFFAOYSA-N -1 0 331.752 3.382 20 30 EGEDRM CC1(C)C(C(=O)[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000080251586 1292592377 /nfs/dbraw/zinc/59/23/77/1292592377.db2.gz FENAHFCMTKBLJE-UHFFFAOYSA-N -1 0 340.401 3.063 20 30 EGEDRM CC[C@H](Oc1cccc(C)c1)C(=O)[N-]S(=O)(=O)C1CCCC1 ZINC000086054435 1292727787 /nfs/dbraw/zinc/72/77/87/1292727787.db2.gz ISYTZZGTCUIVIE-HNNXBMFYSA-N -1 0 325.430 3.381 20 30 EGEDRM CC(C)Oc1ccc(S(=O)(=O)[N-]C(=O)c2ccsc2)cc1 ZINC000091127267 1292822411 /nfs/dbraw/zinc/82/24/11/1292822411.db2.gz MDZTWUJXSRFAGH-UHFFFAOYSA-N -1 0 325.411 3.229 20 30 EGEDRM COc1cc(/C=C\C(=O)c2ccc(N(C)C)cc2)cc([N+](=O)[O-])c1[O-] ZINC000096765842 1292953511 /nfs/dbraw/zinc/95/35/11/1292953511.db2.gz DBIREDFMOABIKU-WTKPLQERSA-N -1 0 342.351 3.271 20 30 EGEDRM CN(CCCCN=Nc1ccccc1C(=O)[O-])C(=O)OC(C)(C)C ZINC000834936343 1293177981 /nfs/dbraw/zinc/17/79/81/1293177981.db2.gz XIZOEHCXUOATFG-UHFFFAOYSA-N -1 0 335.404 3.430 20 30 EGEDRM CCOC(=O)[C@H]1CCC(N=Nc2ccc(C(=O)[O-])c(F)c2)C[C@H]1C ZINC000835010102 1293186528 /nfs/dbraw/zinc/18/65/28/1293186528.db2.gz OHINZFNPQVWNRH-MFKMUULPSA-N -1 0 336.363 3.291 20 30 EGEDRM CC(=NN[C@H]1CCOC1(C)C)c1oc2cc(C)ccc2c1CC(=O)[O-] ZINC000835020721 1293189693 /nfs/dbraw/zinc/18/96/93/1293189693.db2.gz KBYWBFHXQUWORW-INIZCTEOSA-N -1 0 344.411 3.249 20 30 EGEDRM CC(C)CC(CC(C)C)C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000835038398 1293192233 /nfs/dbraw/zinc/19/22/33/1293192233.db2.gz QZZSWNPINFQTCR-UHFFFAOYSA-N -1 0 336.457 3.072 20 30 EGEDRM C[C@H]1CCc2c(C([O-])=C(C#N)C(=O)NC3CCCC3)csc2C1 ZINC000119713135 1293284277 /nfs/dbraw/zinc/28/42/77/1293284277.db2.gz SVVVBBLRJAUTSM-SMDDNHRTSA-N -1 0 330.453 3.254 20 30 EGEDRM CCCc1sc(C([O-])=C(C#N)C(=O)c2nccn2C)cc1CC ZINC000122807912 1293425358 /nfs/dbraw/zinc/42/53/58/1293425358.db2.gz FTMJBMKGTRQVEI-GFCCVEGCSA-N -1 0 329.425 3.202 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)C(=O)N2CCCC2)c(C)n1Cc1ccccc1 ZINC000124573043 1293479178 /nfs/dbraw/zinc/47/91/78/1293479178.db2.gz AJHJWKOACHQDJR-LJQANCHMSA-N -1 0 349.434 3.098 20 30 EGEDRM COCCCNC(=O)C(C#N)=C([O-])c1ccc(C2CCCCC2)cc1 ZINC000125032995 1293492772 /nfs/dbraw/zinc/49/27/72/1293492772.db2.gz ZQZFBPNPRGKKCY-SFHVURJKSA-N -1 0 342.439 3.209 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(-n2cccc2)cc1 ZINC000125627017 1293512750 /nfs/dbraw/zinc/51/27/50/1293512750.db2.gz ZQMVOBKVYPYRIM-SFHVURJKSA-N -1 0 337.423 3.496 20 30 EGEDRM CSc1ccc(C)c(C([O-])=C(C#N)C(=O)NC2CCCCC2)c1 ZINC000127344947 1293560777 /nfs/dbraw/zinc/56/07/77/1293560777.db2.gz FLLPMFPTWBRMOT-INIZCTEOSA-N -1 0 330.453 3.488 20 30 EGEDRM CCCOc1ccc(C([O-])=C(C#N)C(=O)NC(C)C)cc1OCCC ZINC000130869126 1293672110 /nfs/dbraw/zinc/67/21/10/1293672110.db2.gz SBKQXLMWBJILFB-OAHLLOKOSA-N -1 0 346.427 3.111 20 30 EGEDRM CNC(=O)C(C#N)=C([O-])c1ccc(COc2ccc3ccccc3c2)o1 ZINC000133259604 1293740755 /nfs/dbraw/zinc/74/07/55/1293740755.db2.gz YZHNTSHJBLSEAD-QGZVFWFLSA-N -1 0 348.358 3.080 20 30 EGEDRM O=C(/C=C/c1ccc(-n2cccn2)cc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000136515426 1293816336 /nfs/dbraw/zinc/81/63/36/1293816336.db2.gz POZGCVOWNUVKEW-XBXARRHUSA-N -1 0 335.319 3.382 20 30 EGEDRM CC(C)NC(=O)C(C#N)=C([O-])c1ccc(CCC(F)(F)F)cc1 ZINC000152370322 1293966087 /nfs/dbraw/zinc/96/60/87/1293966087.db2.gz MFXKPUNCIPUDCW-ZDUSSCGKSA-N -1 0 326.318 3.029 20 30 EGEDRM CC(C)NC(=O)C(C#N)=C([O-])c1ccc(Cl)c(C(F)(F)F)c1 ZINC000156517063 1294146999 /nfs/dbraw/zinc/14/69/99/1294146999.db2.gz QMRJTFFAFBVWQP-SECBINFHSA-N -1 0 332.709 3.206 20 30 EGEDRM O=C(/C=C/c1ccc(N2CCOCC2)c(F)c1)c1ccc(F)cc1[O-] ZINC000156712905 1294156595 /nfs/dbraw/zinc/15/65/95/1294156595.db2.gz SFPQMPAUMWIDRO-QHHAFSJGSA-N -1 0 345.345 3.403 20 30 EGEDRM COCCOc1ccc(C(=O)/C=C/c2cccc(C(=O)[O-])c2)cc1 ZINC000158302545 1294202369 /nfs/dbraw/zinc/20/23/69/1294202369.db2.gz BNNMHXBUCLNLIL-BJMVGYQFSA-N -1 0 326.348 3.306 20 30 EGEDRM COc1cc(/C=C/C(=O)c2ccc([O-])c(F)c2)cc(OC)c1OC ZINC000170852008 1294384291 /nfs/dbraw/zinc/38/42/91/1294384291.db2.gz GEUJIYKDPZNSFG-GQCTYLIASA-N -1 0 332.327 3.453 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)c2ccc(Br)c(F)c2)c1 ZINC000176397104 1294604157 /nfs/dbraw/zinc/60/41/57/1294604157.db2.gz BQKXSCXPYDMNHJ-UHFFFAOYSA-N -1 0 335.132 3.418 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)CCCc2nnc(-c3ccccc3)o2)c1 ZINC000176827297 1294636209 /nfs/dbraw/zinc/63/62/09/1294636209.db2.gz KFFODMIOUIORAL-UHFFFAOYSA-N -1 0 348.362 3.275 20 30 EGEDRM Cc1cc(C(=O)Nc2cc(C#N)ccc2[O-])c2cnn(C(C)C)c2n1 ZINC000176832191 1294637308 /nfs/dbraw/zinc/63/73/08/1294637308.db2.gz SQKYUXMMPHAPDC-UHFFFAOYSA-N -1 0 335.367 3.150 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(CC)c([N+](=O)[O-])c1 ZINC000177594703 1294679452 /nfs/dbraw/zinc/67/94/52/1294679452.db2.gz BHVGVFJCXSIXAW-HNNXBMFYSA-N -1 0 345.399 3.176 20 30 EGEDRM Cc1ccc(C([O-])=C(C#N)C(=O)NC2CCCC2)cc1Br ZINC000177604994 1294681173 /nfs/dbraw/zinc/68/11/73/1294681173.db2.gz LZINLDYQBLVSIX-CYBMUJFWSA-N -1 0 349.228 3.139 20 30 EGEDRM CCCCN(CC)c1ccc(C([O-])=C(C#N)C(=O)NC(C)C)cc1 ZINC000179982267 1294848383 /nfs/dbraw/zinc/84/83/83/1294848383.db2.gz KPRNOFNCMRYXKN-QGZVFWFLSA-N -1 0 329.444 3.160 20 30 EGEDRM Cc1nn(-c2ccccc2)cc1C/N=C/c1cc([N+](=O)[O-])ccc1[O-] ZINC000180199760 1294868200 /nfs/dbraw/zinc/86/82/00/1294868200.db2.gz VAOMAZNJKROHLL-VXLYETTFSA-N -1 0 336.351 3.414 20 30 EGEDRM COc1cc(/C=C/C(=O)c2cccc(OCC(=O)[O-])c2)ccc1C ZINC000193125576 1295836096 /nfs/dbraw/zinc/83/60/96/1295836096.db2.gz KRPSBTUTGZACMS-CMDGGOBGSA-N -1 0 326.348 3.363 20 30 EGEDRM C[C@@H]1CCc2[nH]c3ccc(C([O-])=C(C#N)C(=O)N4CCCC4)cc3c2C1 ZINC000193356141 1295857007 /nfs/dbraw/zinc/85/70/07/1295857007.db2.gz PBADTZAPMCKOIM-DYVFJYSZSA-N -1 0 349.434 3.238 20 30 EGEDRM C=CCn1c(=O)c2ccc(C(=O)N[C@H](C)[C@@H](C)CC)cc2[n-]c1=S ZINC000194675157 1295999588 /nfs/dbraw/zinc/99/95/88/1295999588.db2.gz LOXXPXIWKXEBQX-NWDGAFQWSA-N -1 0 345.468 3.036 20 30 EGEDRM COc1cc(/C=C\C(=O)c2ccc(F)cc2F)ccc1OCC(=O)[O-] ZINC000211157247 1296103924 /nfs/dbraw/zinc/10/39/24/1296103924.db2.gz ZYISRSAJRODDBS-KXFIGUGUSA-N -1 0 348.301 3.333 20 30 EGEDRM N#CC(=C([O-])C=Cc1cccnc1)c1nc(-c2ccncc2)cs1 ZINC000255205190 1296508715 /nfs/dbraw/zinc/50/87/15/1296508715.db2.gz VLCRWOCKMLGSID-JZIMQPMSSA-N -1 0 332.388 3.490 20 30 EGEDRM Cc1c(C(=O)/C=C\c2cc([O-])ccc2[N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000255430491 1296533190 /nfs/dbraw/zinc/53/31/90/1296533190.db2.gz MUHLXFCUQRAROZ-YVMONPNESA-N -1 0 328.280 3.413 20 30 EGEDRM CN(CCO)c1ccc(N=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC000255836899 1296570466 /nfs/dbraw/zinc/57/04/66/1296570466.db2.gz QVANUPVGKRJTPR-UHFFFAOYSA-N -1 0 349.774 3.133 20 30 EGEDRM O=C(/C=C\c1cnn(Cc2ccc(F)cc2)c1)c1ccc(O)cc1[O-] ZINC000588535213 1298080150 /nfs/dbraw/zinc/08/01/50/1298080150.db2.gz VVYMATODOZTKFG-BAQGIRSFSA-N -1 0 338.338 3.378 20 30 EGEDRM O=C(/C=C\c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(F)cc1[O-] ZINC000588594720 1298090696 /nfs/dbraw/zinc/09/06/96/1298090696.db2.gz NUQSQLPUHICVSG-KXFIGUGUSA-N -1 0 332.243 3.244 20 30 EGEDRM O=c1c2ccccc2[n-]c(=S)n1N=Cc1c(F)cccc1Cl ZINC000725860090 1298378654 /nfs/dbraw/zinc/37/86/54/1298378654.db2.gz WSVHJYRKMPUWCP-UHFFFAOYSA-N -1 0 333.775 3.360 20 30 EGEDRM C[C@H](CCc1ccc2c(c1)OCO2)/N=C/c1cc([N+](=O)[O-])ccc1[O-] ZINC000745624098 1298436183 /nfs/dbraw/zinc/43/61/83/1298436183.db2.gz FMTZSYRTSFUWQY-AINDZBIGSA-N -1 0 342.351 3.469 20 30 EGEDRM C[C@@H](Oc1cccc(/C=C2/COc3c(F)cccc3C2=O)c1)C(=O)[O-] ZINC000746683552 1298640357 /nfs/dbraw/zinc/64/03/57/1298640357.db2.gz CZOOKWBOHNURCX-JYVXZMADSA-N -1 0 342.322 3.336 20 30 EGEDRM COC[C@@H]([N-]C(=O)C(F)(F)C(F)F)c1cccc(C(F)(F)F)c1 ZINC000749392811 1299207296 /nfs/dbraw/zinc/20/72/96/1299207296.db2.gz FVRQHBPUAKDLGC-SECBINFHSA-N -1 0 347.230 3.410 20 30 EGEDRM COc1ccccc1C1(C/N=C/c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000749451015 1299217705 /nfs/dbraw/zinc/21/77/05/1299217705.db2.gz GTBMFSABHGACPP-YBFXNURJSA-N -1 0 326.352 3.460 20 30 EGEDRM Cc1[nH]c2ccc(Cl)cc2c1C=NNc1[n-]cnc2ncnc1-2 ZINC000752727257 1299782157 /nfs/dbraw/zinc/78/21/57/1299782157.db2.gz NWUGQSNIWFCRRY-UHFFFAOYSA-N -1 0 325.763 3.242 20 30 EGEDRM CN(CC(=O)[O-])c1ccc(C(F)(F)F)cc1C=NNC1CCCC1 ZINC000755689658 1300379360 /nfs/dbraw/zinc/37/93/60/1300379360.db2.gz RJGFSSITXZGASM-UHFFFAOYSA-N -1 0 343.349 3.092 20 30 EGEDRM Cc1cc2c(c(F)c1)NC(=O)C2=N[N-]c1nc(C(F)(F)F)cs1 ZINC000755901940 1300411991 /nfs/dbraw/zinc/41/19/91/1300411991.db2.gz YKOPBKMIUYBJNL-UHFFFAOYSA-N -1 0 344.293 3.378 20 30 EGEDRM CC(=O)N1CC[C@H](/N=C\c2cc([N+](=O)[O-])ccc2[O-])c2ccccc21 ZINC000756846425 1300575689 /nfs/dbraw/zinc/57/56/89/1300575689.db2.gz JLBHQSDNEPGFOX-YLRSXTQRSA-N -1 0 339.351 3.217 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1NN=Cc1cc(OC)c(OC)cc1C ZINC000756901469 1300585403 /nfs/dbraw/zinc/58/54/03/1300585403.db2.gz RHGAPDJNKWIDFE-UHFFFAOYSA-N -1 0 344.367 3.165 20 30 EGEDRM CCc1nc(CN=Nc2ccc(C(=O)[O-])cc2OC)c2ccccn12 ZINC000756906201 1300587467 /nfs/dbraw/zinc/58/74/67/1300587467.db2.gz UJWSTKNQACLKEV-UHFFFAOYSA-N -1 0 338.367 3.050 20 30 EGEDRM N#CC(C(=O)NC1CC1)=C([O-])c1cccc(-c2c(F)cccc2F)c1 ZINC000757408113 1300669930 /nfs/dbraw/zinc/66/99/30/1300669930.db2.gz GYBPEJOIHUGMNK-CQSZACIVSA-N -1 0 340.329 3.233 20 30 EGEDRM Cc1ccc(O)c(C(=O)/C=C\c2cccc(O[C@H](C)C(=O)[O-])c2)c1 ZINC000757467740 1300672890 /nfs/dbraw/zinc/67/28/90/1300672890.db2.gz JGJCQYIUDVNMAA-FNOHHLHBSA-N -1 0 326.348 3.449 20 30 EGEDRM C#CCOc1ccc(/C=C\C(=O)c2ccc(O)cc2[O-])cc1OCC ZINC000757466938 1300673886 /nfs/dbraw/zinc/67/38/86/1300673886.db2.gz AIZLXMSOSCGRAK-UITAMQMPSA-N -1 0 338.359 3.405 20 30 EGEDRM COc1ccc(/C=C/C(=O)c2cc(F)cc(F)c2[O-])cc1[N+](=O)[O-] ZINC000757475163 1300675589 /nfs/dbraw/zinc/67/55/89/1300675589.db2.gz ZACFJQIJGHIZBQ-DUXPYHPUSA-N -1 0 335.262 3.483 20 30 EGEDRM Cc1nn(C)c2ncc(/C=C\C(=O)c3cc(F)cc(F)c3[O-])cc12 ZINC000757477029 1300676721 /nfs/dbraw/zinc/67/67/21/1300676721.db2.gz XSXZJYXBQMFGSC-ARJAWSKDSA-N -1 0 329.306 3.157 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)C(C)(C)C2CCCC2)n1 ZINC000757837115 1300744724 /nfs/dbraw/zinc/74/47/24/1300744724.db2.gz NRKBPYHRHTWMHY-CYBMUJFWSA-N -1 0 334.441 3.387 20 30 EGEDRM CC(=NNC(=S)Nc1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000758093950 1300784246 /nfs/dbraw/zinc/78/42/46/1300784246.db2.gz YFBFULVBXVZPJI-UHFFFAOYSA-N -1 0 330.369 3.011 20 30 EGEDRM [O-]c1c(F)cc(C=NNc2cncc(Br)c2)cc1F ZINC000758122063 1300790941 /nfs/dbraw/zinc/79/09/41/1300790941.db2.gz CXMBPQZCQUNZST-UHFFFAOYSA-N -1 0 328.116 3.274 20 30 EGEDRM CC(=O)Nc1ccc(/C=C/C(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000759091747 1301014009 /nfs/dbraw/zinc/01/40/09/1301014009.db2.gz SQAPRXXRELXBRE-XBXARRHUSA-N -1 0 326.308 3.155 20 30 EGEDRM O=C(/C=C/c1cnn(-c2ccccc2)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000759091100 1301014166 /nfs/dbraw/zinc/01/41/66/1301014166.db2.gz OXAWRTPZEPCTAM-SOFGYWHQSA-N -1 0 335.319 3.382 20 30 EGEDRM N#CCOc1cc(F)ccc1NC(=O)CC1(C(=O)[O-])CCCCC1 ZINC000760207090 1301234566 /nfs/dbraw/zinc/23/45/66/1301234566.db2.gz QGAFYTABNWTEOO-UHFFFAOYSA-N -1 0 334.347 3.092 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)c1ccc2[nH]c3c(c2c1)CCCCC3 ZINC000762022332 1301593565 /nfs/dbraw/zinc/59/35/65/1301593565.db2.gz TUSWCYLUVLLMJF-UHFFFAOYSA-N -1 0 326.396 3.150 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)c1cccc(-c2ccccc2OCC)c1 ZINC000762049681 1301600986 /nfs/dbraw/zinc/60/09/86/1301600986.db2.gz CNAKZMFXMKCSOO-UHFFFAOYSA-N -1 0 339.391 3.465 20 30 EGEDRM O=C1Nc2cccc(Cl)c2C1=N[N-]c1ncnc2ccsc21 ZINC000764834289 1302144984 /nfs/dbraw/zinc/14/49/84/1302144984.db2.gz DPOSXCARQUXEHU-UHFFFAOYSA-N -1 0 329.772 3.113 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1NN=Cc1ncccc1C(F)(F)F ZINC000765584960 1302285238 /nfs/dbraw/zinc/28/52/38/1302285238.db2.gz URJZJHICELGNFT-UHFFFAOYSA-N -1 0 339.273 3.253 20 30 EGEDRM CCN(c1ccc(C([O-])=C(C#N)C(=O)NC2CCCC2)cc1)C(C)C ZINC000770109360 1303222224 /nfs/dbraw/zinc/22/22/24/1303222224.db2.gz FCIDDYOSNKSFFQ-GOSISDBHSA-N -1 0 341.455 3.303 20 30 EGEDRM C[C@H](C(=O)C(C#N)=C([O-])c1nccn1C)c1ccccc1C(F)(F)F ZINC000770871511 1303324442 /nfs/dbraw/zinc/32/44/42/1303324442.db2.gz NIKGLZICNOWYLB-CMPLNLGQSA-N -1 0 349.312 3.134 20 30 EGEDRM C#CCOc1ccccc1-c1noc(-c2ccc([N+](=O)[O-])c([O-])c2)n1 ZINC000770877208 1303325034 /nfs/dbraw/zinc/32/50/34/1303325034.db2.gz XVTOXLABXPFICV-UHFFFAOYSA-N -1 0 337.291 3.029 20 30 EGEDRM C[C@@H](Cc1ccccc1)n1cccc1C([O-])=C(C#N)C(=O)N1CCCC1 ZINC000773765589 1303737271 /nfs/dbraw/zinc/73/72/71/1303737271.db2.gz YEDKIJQFIDMDOE-FUHWJXTLSA-N -1 0 349.434 3.237 20 30 EGEDRM Cc1nc(C2CCCCC2)sc1C([O-])=C(C#N)C(=O)N1CCCC1 ZINC000775230879 1303927225 /nfs/dbraw/zinc/92/72/25/1303927225.db2.gz ALNYGMJTTAGVIG-CQSZACIVSA-N -1 0 345.468 3.444 20 30 EGEDRM COc1cc(Cl)ccc1[N-]S(=O)(=O)c1cccc(C)c1C#N ZINC000775297806 1303936113 /nfs/dbraw/zinc/93/61/13/1303936113.db2.gz XBRNFKVWYDYJOO-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM CO[C@@H]1[C@H](C)[C@@H](/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1(C)C ZINC000775630030 1303998115 /nfs/dbraw/zinc/99/81/15/1303998115.db2.gz IZQCVYWLKOZRIX-XOJBPGSPSA-N -1 0 326.780 3.432 20 30 EGEDRM CC[C@@H](C)Oc1cc(C/N=C/c2cc([N+](=O)[O-])ccc2[O-])ccn1 ZINC000776725298 1304188315 /nfs/dbraw/zinc/18/83/15/1304188315.db2.gz IXBQGWNTCWEMHN-MBNTZHJCSA-N -1 0 329.356 3.492 20 30 EGEDRM Cc1cc2ccccc2nc1N=NCc1ccccc1OCC(=O)[O-] ZINC000776786265 1304198353 /nfs/dbraw/zinc/19/83/53/1304198353.db2.gz UGZQOSWZTQZPSR-UHFFFAOYSA-N -1 0 335.363 3.453 20 30 EGEDRM C=CCSc1ccccc1C(=O)[N-]S(=O)(=O)C[C@@H](C)CCC ZINC000777316002 1304282456 /nfs/dbraw/zinc/28/24/56/1304282456.db2.gz VCTVXRMVZCMXOJ-ZDUSSCGKSA-N -1 0 341.498 3.461 20 30 EGEDRM O=C([O-])c1cc(C(=O)/C=C/c2cccc(Br)n2)cs1 ZINC000777916428 1304365569 /nfs/dbraw/zinc/36/55/69/1304365569.db2.gz ITPZEKRWULUDLQ-SNAWJCMRSA-N -1 0 338.182 3.500 20 30 EGEDRM COc1ccc(-c2nc(SCC3(C#N)CC3)[n-]c(=O)c2C#N)cc1 ZINC000777914142 1304365479 /nfs/dbraw/zinc/36/54/79/1304365479.db2.gz YTKFTJYCTDOROY-UHFFFAOYSA-N -1 0 338.392 3.125 20 30 EGEDRM CC[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC000779319463 1304556053 /nfs/dbraw/zinc/55/60/53/1304556053.db2.gz VGCSJROJDGNISB-OAHLLOKOSA-N -1 0 340.489 3.123 20 30 EGEDRM CC[C@@H](C)CCCCC(=O)[N-]S(=O)(=O)c1cccc(F)c1C#N ZINC000781603328 1304846581 /nfs/dbraw/zinc/84/65/81/1304846581.db2.gz VXQYBXOEHOJIFU-GFCCVEGCSA-N -1 0 340.420 3.109 20 30 EGEDRM N#Cc1c[n-]n2c1nc(COC(=O)CCCC1CCCCC1)cc2=O ZINC000781823424 1304880625 /nfs/dbraw/zinc/88/06/25/1304880625.db2.gz CFVWPNLLLQEGMK-UHFFFAOYSA-N -1 0 342.399 3.100 20 30 EGEDRM COC(=O)COc1ccc(/C=C\C(=O)c2cc(Cl)ccc2[O-])cc1 ZINC000782184136 1304927322 /nfs/dbraw/zinc/92/73/22/1304927322.db2.gz GUNLMNMKUXQYBO-YWEYNIOJSA-N -1 0 346.766 3.494 20 30 EGEDRM COC(=O)COc1ccc(/C=C\C(=O)c2ccc(C)cc2[O-])cc1 ZINC000782183797 1304927707 /nfs/dbraw/zinc/92/77/07/1304927707.db2.gz DOFVRUDZFKYHSL-POHAHGRESA-N -1 0 326.348 3.149 20 30 EGEDRM COc1cc(/C=C\C(=O)c2ccnc(Cl)c2)ccc1OCC(=O)[O-] ZINC000782194779 1304928329 /nfs/dbraw/zinc/92/83/29/1304928329.db2.gz QXQCJQFOOJCENB-RQOWECAXSA-N -1 0 347.754 3.103 20 30 EGEDRM Cc1ccc2cc(C=Nn3c(=S)[n-]nc3C(F)(F)F)ccc2n1 ZINC000783512150 1305101142 /nfs/dbraw/zinc/10/11/42/1305101142.db2.gz UEPONIFKUYIVTM-UHFFFAOYSA-N -1 0 337.330 3.324 20 30 EGEDRM COc1cc(C=NNc2ccc(F)cc2)ccc1OCCC(=O)[O-] ZINC000783782667 1305145483 /nfs/dbraw/zinc/14/54/83/1305145483.db2.gz GMTWPVJQRVLROL-UHFFFAOYSA-N -1 0 332.331 3.134 20 30 EGEDRM C=CC(C)(C)CC(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000892423430 1305365655 /nfs/dbraw/zinc/36/56/55/1305365655.db2.gz DYVIMIKCSSNCKL-UHFFFAOYSA-N -1 0 335.347 3.113 20 30 EGEDRM CON(C(=O)c1ccc(C#N)c([O-])c1)[C@@H]1CCCOc2ccccc21 ZINC000785608543 1305391369 /nfs/dbraw/zinc/39/13/69/1305391369.db2.gz SWIPXOYOXBOJTN-MRXNPFEDSA-N -1 0 338.363 3.181 20 30 EGEDRM CC(C)(C#N)CC(=O)[N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000786277547 1305548390 /nfs/dbraw/zinc/54/83/90/1305548390.db2.gz HHAITEITZPAIRO-UHFFFAOYSA-N -1 0 348.468 3.479 20 30 EGEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2csc(Cl)c2)c1 ZINC000786541187 1305594119 /nfs/dbraw/zinc/59/41/19/1305594119.db2.gz KTBURIMFVBAGCI-ZDUSSCGKSA-N -1 0 332.812 3.349 20 30 EGEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1ccc(C#N)s1)c1ccccc1 ZINC000787039203 1305681173 /nfs/dbraw/zinc/68/11/73/1305681173.db2.gz QGYGNEPDBGYHJB-CABCVRRESA-N -1 0 337.404 3.210 20 30 EGEDRM COc1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)nc1Cl ZINC000792109803 1309122472 /nfs/dbraw/zinc/12/24/72/1309122472.db2.gz VALDYZNWECYHFQ-SNVBAGLBSA-N -1 0 338.754 3.177 20 30 EGEDRM N#CC(=C([O-])C1=Cc2ccccc2OC1)c1cnc2ccccc2n1 ZINC000792110519 1309122617 /nfs/dbraw/zinc/12/26/17/1309122617.db2.gz RBIROQIHUVXNNF-HNNXBMFYSA-N -1 0 327.343 3.282 20 30 EGEDRM CCCCCCC[C@H](CC(=O)[O-])NS(=O)(=O)c1cc(C)oc1C ZINC000792564501 1309188965 /nfs/dbraw/zinc/18/89/65/1309188965.db2.gz XBCPNUADDQELSW-CQSZACIVSA-N -1 0 345.461 3.379 20 30 EGEDRM CCCOc1c(Cl)cc(C=NN[C@H](CC)C(=O)[O-])cc1OCC ZINC000793077359 1309291674 /nfs/dbraw/zinc/29/16/74/1309291674.db2.gz FAPYNOVJUDJBFY-CYBMUJFWSA-N -1 0 342.823 3.314 20 30 EGEDRM Cc1[nH]c(C=NNCc2c(Cl)cccc2Cl)cc1C(=O)[O-] ZINC000793115332 1309298031 /nfs/dbraw/zinc/29/80/31/1309298031.db2.gz REPYJDQWNVJLPA-UHFFFAOYSA-N -1 0 326.183 3.452 20 30 EGEDRM COc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccccc1CC#N ZINC000794594938 1309550124 /nfs/dbraw/zinc/55/01/24/1309550124.db2.gz DAWXVHBIBFLORM-UHFFFAOYSA-N -1 0 336.800 3.215 20 30 EGEDRM COc1c(C)cc(C(C)=NNc2[n-]cnc3ncnc2-3)cc1Cl ZINC000794901791 1309617850 /nfs/dbraw/zinc/61/78/50/1309617850.db2.gz OSRYREYATZSYEH-UHFFFAOYSA-N -1 0 330.779 3.159 20 30 EGEDRM N#CC[C@@H](CC(=O)[N-]S(=O)(=O)CC1CCCCC1)c1ccccc1 ZINC000796674515 1310060701 /nfs/dbraw/zinc/06/07/01/1310060701.db2.gz SMCIKZQYXKLDIN-KRWDZBQOSA-N -1 0 348.468 3.100 20 30 EGEDRM Cc1c2cc(C#N)ccc2sc1C([O-])=C(C#N)C(=O)c1nccn1C ZINC000796980968 1310119816 /nfs/dbraw/zinc/11/98/16/1310119816.db2.gz IDTCZRFUNWSZTQ-ZDUSSCGKSA-N -1 0 348.387 3.020 20 30 EGEDRM CC[C@@H]1CC[C@@H](C)CC1=NNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000797402294 1310183687 /nfs/dbraw/zinc/18/36/87/1310183687.db2.gz YJNJHWPACYEOCH-VXGBXAGGSA-N -1 0 339.417 3.075 20 30 EGEDRM N#Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000798211018 1310317647 /nfs/dbraw/zinc/31/76/47/1310317647.db2.gz UULDCJVPTJUUGZ-UHFFFAOYSA-N -1 0 347.827 3.286 20 30 EGEDRM N#Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000798210790 1310317920 /nfs/dbraw/zinc/31/79/20/1310317920.db2.gz KKCISDCNUHVRBQ-UHFFFAOYSA-N -1 0 346.170 3.200 20 30 EGEDRM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cnc(Cl)cc1C#N ZINC000798210777 1310318263 /nfs/dbraw/zinc/31/82/63/1310318263.db2.gz JWEXCXXRKJGIKP-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM Cc1ccc2c(C=Nn3c(=O)c4ccccc4[n-]c3=S)c[nH]c2c1 ZINC000917540981 1319832920 /nfs/dbraw/zinc/83/29/20/1319832920.db2.gz IOBBDXAHYJERAG-UHFFFAOYSA-N -1 0 334.404 3.357 20 30 EGEDRM CC[C@@H](CC(F)(F)F)C(=O)OCC([O-])=C(C#N)c1nc(C)cs1 ZINC000838119956 1320730796 /nfs/dbraw/zinc/73/07/96/1320730796.db2.gz MHBZZPJENYFAKE-UWVGGRQHSA-N -1 0 348.346 3.150 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cc(Br)co1 ZINC000838788204 1320816155 /nfs/dbraw/zinc/81/61/55/1320816155.db2.gz SWPKALUIDJFRFC-NSHDSACASA-N -1 0 341.205 3.061 20 30 EGEDRM CCn1cnc(/C=C/C(=O)c2ccc(OCCCC(=O)[O-])cc2)c1 ZINC000899338065 1316995624 /nfs/dbraw/zinc/99/56/24/1316995624.db2.gz LVWCKHUWLNBKMV-JXMROGBWSA-N -1 0 328.368 3.043 20 30 EGEDRM CC(C)c1ccc2c(c1)C(=O)/C(=C\c1cc(C(=O)[O-])nn1C)CCO2 ZINC000899364228 1317002040 /nfs/dbraw/zinc/00/20/40/1317002040.db2.gz OCEDXVMOQAUARP-JYRVWZFOSA-N -1 0 340.379 3.291 20 30 EGEDRM C[C@@H](Oc1ccc(/C=C/C(=O)c2cnn(C3CCC3)c2)cc1)C(=O)[O-] ZINC000899401244 1317020119 /nfs/dbraw/zinc/02/01/19/1317020119.db2.gz SMIISSGCYWWRLC-UTSBKAFOSA-N -1 0 340.379 3.356 20 30 EGEDRM Cn1cc(/C=C2/CCc3occ(C(=O)[O-])c3C2=O)c(C(C)(C)C)n1 ZINC000901517253 1317437926 /nfs/dbraw/zinc/43/79/26/1317437926.db2.gz YTEWKFPUEJKYOL-YFHOEESVSA-N -1 0 328.368 3.221 20 30 EGEDRM C=CCCCCCCNC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000807774612 1317585496 /nfs/dbraw/zinc/58/54/96/1317585496.db2.gz AAWXHIIKDXTHID-UHFFFAOYSA-N -1 0 331.441 3.490 20 30 EGEDRM C#CCC(C)(C)C(=O)[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000810871348 1318071907 /nfs/dbraw/zinc/07/19/07/1318071907.db2.gz LUHSARYVEATQTL-UHFFFAOYSA-N -1 0 348.251 3.156 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2ccc(-c3ccccc3F)o2)CC1 ZINC000810984956 1318086571 /nfs/dbraw/zinc/08/65/71/1318086571.db2.gz QVGTYGJJDNIJAE-UHFFFAOYSA-N -1 0 349.383 3.254 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)CCc2ccc(C(C)C)cc2)CC1 ZINC000810983674 1318087071 /nfs/dbraw/zinc/08/70/71/1318087071.db2.gz FTFFGLRLHOIIGR-UHFFFAOYSA-N -1 0 335.469 3.297 20 30 EGEDRM C#CC[C@H](NC(=O)Nc1cccc(COC2CCCCC2)c1)C(=O)[O-] ZINC000908618560 1318374171 /nfs/dbraw/zinc/37/41/71/1318374171.db2.gz MZMONFVACIXWSM-KRWDZBQOSA-N -1 0 344.411 3.134 20 30 EGEDRM C=CCCC(=O)[C@H]1CCCN1C(=O)CCCc1ccc(O)c(F)c1 ZINC000908659054 1318383032 /nfs/dbraw/zinc/38/30/32/1318383032.db2.gz IWERNSTYAQAQOX-MRXNPFEDSA-N -1 0 333.403 3.380 20 30 EGEDRM O=C([O-])c1ccccc1NN=Cc1cc(Cl)c2c(c1)OCCO2 ZINC000812444943 1318394725 /nfs/dbraw/zinc/39/47/25/1318394725.db2.gz JDIYURBRTSKFQM-UHFFFAOYSA-N -1 0 332.743 3.255 20 30 EGEDRM CCC(=O)c1ccc([O-])c(NC(=O)Cc2ccc(OCC#N)cc2)c1 ZINC000812707759 1318442282 /nfs/dbraw/zinc/44/22/82/1318442282.db2.gz MNWDFWVTCXGOON-UHFFFAOYSA-N -1 0 338.363 3.068 20 30 EGEDRM CCCCCCCCCCC(=O)[N-]S(=O)(=O)c1cnn(C)c1C ZINC000813956443 1318657525 /nfs/dbraw/zinc/65/75/25/1318657525.db2.gz LXZDKUZRPVXCHZ-UHFFFAOYSA-N -1 0 343.493 3.064 20 30 EGEDRM C=CC(C)(C)CC(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC000911360820 1318737334 /nfs/dbraw/zinc/73/73/34/1318737334.db2.gz YLVHUXSIZLERJW-UHFFFAOYSA-N -1 0 325.792 3.061 20 30 EGEDRM CC(=NNc1nc2ccccc2[nH]1)c1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000814709252 1318802284 /nfs/dbraw/zinc/80/22/84/1318802284.db2.gz WKEMRWVPDDYBFA-GFCCVEGCSA-N -1 0 338.367 3.251 20 30 EGEDRM Cc1ccc(NC(=S)NN=C2CC[C@H](C(=O)[O-])C[C@@H]2C)c(C)c1 ZINC000814707078 1318802396 /nfs/dbraw/zinc/80/23/96/1318802396.db2.gz IWOVURLFUWYRTP-STQMWFEESA-N -1 0 333.457 3.467 20 30 EGEDRM Cc1c(C=Nn2c(=S)[n-]nc2C(F)(F)F)n(C)c2ccccc12 ZINC000814724175 1318805422 /nfs/dbraw/zinc/80/54/22/1318805422.db2.gz QSJLXTDKPDRPOG-UHFFFAOYSA-N -1 0 339.346 3.268 20 30 EGEDRM O=C([O-])c1ccccc1NN=Cc1ncc(Br)s1 ZINC000814768678 1318812005 /nfs/dbraw/zinc/81/20/05/1318812005.db2.gz IHBGPOAGYMIICB-UHFFFAOYSA-N -1 0 326.175 3.050 20 30 EGEDRM CC(CCc1ccc(OCC(=O)[O-])cc1)=NNCc1ccccc1 ZINC000814751214 1318809400 /nfs/dbraw/zinc/80/94/00/1318809400.db2.gz IEDFQDFIVVQDCD-UHFFFAOYSA-N -1 0 326.396 3.248 20 30 EGEDRM Cc1cc(C)c(C(=O)[O-])cc1C=NNCCCOc1ccccc1 ZINC000814838728 1318828851 /nfs/dbraw/zinc/82/88/51/1318828851.db2.gz ZJVFBJSIGPOUGX-UHFFFAOYSA-N -1 0 326.396 3.394 20 30 EGEDRM Cc1ccc(N=NC(C)CCc2ccc(O[C@@H](C)C(=O)[O-])cc2)nn1 ZINC000814841002 1318829840 /nfs/dbraw/zinc/82/98/40/1318829840.db2.gz XKLZBTZUROXWEY-AWEZNQCLSA-N -1 0 342.399 3.058 20 30 EGEDRM Cc1cc(N=NC(C)CCc2ccc(OCCC(=O)[O-])cc2)ncn1 ZINC000814846546 1318830213 /nfs/dbraw/zinc/83/02/13/1318830213.db2.gz SJFMERRNZWJNTM-UHFFFAOYSA-N -1 0 342.399 3.059 20 30 EGEDRM C[C@H]1C(N=Nc2ccc(Br)nc2)CC[C@@H]1CC(=O)[O-] ZINC000814847199 1318830652 /nfs/dbraw/zinc/83/06/52/1318830652.db2.gz DFYUTXFVGIHAML-RKDXNWHRSA-N -1 0 326.194 3.133 20 30 EGEDRM Cc1nc(Cl)cc(N=NC(C)c2cccc(O[C@H](C)C(=O)[O-])c2)n1 ZINC000814855220 1318830974 /nfs/dbraw/zinc/83/09/74/1318830974.db2.gz HXLGEMPOTMZFAK-SNVBAGLBSA-N -1 0 348.790 3.126 20 30 EGEDRM COc1cc(F)cc(N=NC2CC(C(=O)[O-])(c3ccccc3)C2)c1 ZINC000814870529 1318835242 /nfs/dbraw/zinc/83/52/42/1318835242.db2.gz GSNGDMUTYMLURN-UHFFFAOYSA-N -1 0 328.343 3.419 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1N=NCc1nc2c(s1)CCCC2 ZINC000814886922 1318839225 /nfs/dbraw/zinc/83/92/25/1318839225.db2.gz KCMXEDJGSZGSGZ-UHFFFAOYSA-N -1 0 331.397 3.175 20 30 EGEDRM COc1ccc(N=NC2CC(C(=O)[O-])(c3cccc(Cl)c3)C2)nc1 ZINC000814909924 1318845455 /nfs/dbraw/zinc/84/54/55/1318845455.db2.gz SIPHGINJLBKRJR-UHFFFAOYSA-N -1 0 345.786 3.328 20 30 EGEDRM CCC(=NN[C@H]1CCCOC1)c1ccc(OCCCCC(=O)[O-])cc1 ZINC000814909073 1318846446 /nfs/dbraw/zinc/84/64/46/1318846446.db2.gz WJXSOWZPKHGLFP-INIZCTEOSA-N -1 0 348.443 3.203 20 30 EGEDRM Cc1cc(C)c(C(=O)[O-])cc1C=NNCc1ccccc1N(C)C ZINC000814926198 1318852064 /nfs/dbraw/zinc/85/20/64/1318852064.db2.gz SVLJOXXINVTJBD-UHFFFAOYSA-N -1 0 325.412 3.191 20 30 EGEDRM O=C([O-])COc1ccc(/C=C\C(=O)c2ccc(-n3cccn3)cc2)cc1 ZINC000912859278 1318945809 /nfs/dbraw/zinc/94/58/09/1318945809.db2.gz JKZYETQXPZQQGW-WCIBSUBMSA-N -1 0 348.358 3.232 20 30 EGEDRM C[C@H](C(=O)Nc1cc(C#N)ccc1[O-])[C@@H]1OCCc2sccc21 ZINC000815877761 1319066234 /nfs/dbraw/zinc/06/62/34/1319066234.db2.gz GFKZLVKTXIPTBP-QFYYESIMSA-N -1 0 328.393 3.214 20 30 EGEDRM COc1cc(Cl)cc(C([O-])=C(C#N)C(=O)NC2CCCCC2)c1 ZINC000815907994 1319072029 /nfs/dbraw/zinc/07/20/29/1319072029.db2.gz PZQPCYZMCWUWHV-HNNXBMFYSA-N -1 0 334.803 3.120 20 30 EGEDRM CCc1nc(C)c(C([O-])=C(C#N)C(=O)N[C@@H](CC)c2ccccc2)o1 ZINC000816039534 1319092579 /nfs/dbraw/zinc/09/25/79/1319092579.db2.gz YPRLSFQHNHTGHO-GJZGRUSLSA-N -1 0 339.395 3.135 20 30 EGEDRM Cc1ccc(C)c(NC(=S)NN=Cc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000915911802 1319559924 /nfs/dbraw/zinc/55/99/24/1319559924.db2.gz FPKKXQMTXKNYFM-UHFFFAOYSA-N -1 0 344.396 3.238 20 30 EGEDRM CCCNN=Cc1cc(Br)cc(Br)c1[O-] ZINC000915966114 1319572537 /nfs/dbraw/zinc/57/25/37/1319572537.db2.gz XZMAZTAEJAQIHO-UHFFFAOYSA-N -1 0 336.027 3.251 20 30 EGEDRM O=C([O-])CCOc1ccc(/C=C/C(=O)c2ccc3c(c2)CCO3)cc1 ZINC000915987211 1319578769 /nfs/dbraw/zinc/57/87/69/1319578769.db2.gz YVNDIPHUYAIWLI-XVNBXDOJSA-N -1 0 338.359 3.371 20 30 EGEDRM CC(C)(C)OC(=O)C(C)(C)CC/N=C/c1cc([N+](=O)[O-])ccc1[O-] ZINC000818992641 1319608266 /nfs/dbraw/zinc/60/82/66/1319608266.db2.gz RYUWMLHHYAYZCS-WOJGMQOQSA-N -1 0 336.388 3.477 20 30 EGEDRM COc1ccc(/C=C\C(=O)c2cccc(OCC(=O)[O-])c2)cc1OC ZINC000916157722 1319612410 /nfs/dbraw/zinc/61/24/10/1319612410.db2.gz SXFCRXXMDUQZCD-VURMDHGXSA-N -1 0 342.347 3.063 20 30 EGEDRM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1noc2c1CCCC2 ZINC000916909438 1319723620 /nfs/dbraw/zinc/72/36/20/1319723620.db2.gz BIWMCXKCLCKNTE-LLVKDONJSA-N -1 0 343.770 3.168 20 30 EGEDRM CC(C)NC(=O)C(C#N)=C([O-])c1ccc2[nH]c3c(c2c1)CCCCC3 ZINC000916951049 1319727840 /nfs/dbraw/zinc/72/78/40/1319727840.db2.gz DNIAWQRKKUNVOZ-INIZCTEOSA-N -1 0 337.423 3.284 20 30 EGEDRM COCCOc1cccc(/C=C\C(=O)c2ccc(C(=O)[O-])s2)c1 ZINC000917142909 1319762526 /nfs/dbraw/zinc/76/25/26/1319762526.db2.gz DIZSJBWUTORWEX-WAYWQWQTSA-N -1 0 332.377 3.368 20 30 EGEDRM C=C(C)C(C)(C)C(=O)C(C#N)=C([O-])c1c(C)[nH]c(C)c1C(=O)OCC ZINC000819951581 1319810277 /nfs/dbraw/zinc/81/02/77/1319810277.db2.gz CWESWQWAUSANIA-CYBMUJFWSA-N -1 0 344.411 3.302 20 30 EGEDRM N#C[C@H]1CC[C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000823891775 1320214706 /nfs/dbraw/zinc/21/47/06/1320214706.db2.gz VUFMRDKLUAXSCR-GZMMTYOYSA-N -1 0 328.199 3.190 20 30 EGEDRM C=C(Cl)CNC(=O)Nc1cc(C)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC000836738258 1320527902 /nfs/dbraw/zinc/52/79/02/1320527902.db2.gz HAHHRAFZCSAZMH-UHFFFAOYSA-N -1 0 349.740 3.048 20 30 EGEDRM CCC[C@@H]1CCC[C@@H]1C(=O)OCC([O-])=C(C#N)c1nc(C)cs1 ZINC000837831708 1320691420 /nfs/dbraw/zinc/69/14/20/1320691420.db2.gz HHBVRSYJVXYWSR-HZSPNIEDSA-N -1 0 334.441 3.387 20 30 EGEDRM O=C([O-])c1cc(NN=Cc2c[nH]nc2-c2cccnc2)ccc1Cl ZINC000839384788 1320911598 /nfs/dbraw/zinc/91/15/98/1320911598.db2.gz ZWPPUEDWDKGPQA-UHFFFAOYSA-N -1 0 341.758 3.269 20 30 EGEDRM C#CCCCS(=O)(=O)[N-]c1ncccc1O[C@@H](C)c1ccccc1 ZINC000840948851 1321183580 /nfs/dbraw/zinc/18/35/80/1321183580.db2.gz LRPLSPSJBFFTME-HNNXBMFYSA-N -1 0 344.436 3.377 20 30 EGEDRM CCOC(=O)[C@H]1CCC(N=Nc2cccc(C(=O)[O-])c2C)C[C@@H]1C ZINC000844624452 1321626396 /nfs/dbraw/zinc/62/63/96/1321626396.db2.gz PYUKSYPMDSDYCO-FZMZJTMJSA-N -1 0 332.400 3.460 20 30 EGEDRM C=C[C@H](C)O[N-]C(=O)[C@H](CC(C)C)NC(=O)c1ccc(Cl)cc1 ZINC000846542246 1321791483 /nfs/dbraw/zinc/79/14/83/1321791483.db2.gz XPNTYMYBKBGLEQ-WFASDCNBSA-N -1 0 338.835 3.107 20 30 EGEDRM C=C[C@@H](C)O[N-]C(=O)CSc1nc(C)nc2sc(C)c(C)c21 ZINC000846542221 1321791540 /nfs/dbraw/zinc/79/15/40/1321791540.db2.gz XAUQSNVOBQVCTC-MRVPVSSYSA-N -1 0 337.470 3.331 20 30 EGEDRM C=CCn1c(=O)c2ccc(C(=O)N(CCC)C(C)C)cc2[n-]c1=S ZINC000848291997 1321948743 /nfs/dbraw/zinc/94/87/43/1321948743.db2.gz LMEPTJBZXHOXJS-UHFFFAOYSA-N -1 0 345.468 3.132 20 30 EGEDRM CCOC(=O)C[C@@H]1CCCCC1N=Nc1ccc(CC(=O)[O-])cc1 ZINC000848415116 1321958581 /nfs/dbraw/zinc/95/85/81/1321958581.db2.gz WPMFBPOZQSFCHR-AWEZNQCLSA-N -1 0 332.400 3.225 20 30 EGEDRM CCCOc1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)c(C)c1 ZINC000849241770 1322099582 /nfs/dbraw/zinc/09/95/82/1322099582.db2.gz NAVRRIXYSJXOGJ-POZKEBTKSA-N -1 0 328.364 3.012 20 30 EGEDRM COc1cc(/C=C2/Cc3cc(C)ccc3C2=O)ccc1OCC(=O)[O-] ZINC000921263959 1322282656 /nfs/dbraw/zinc/28/26/56/1322282656.db2.gz MFVPUDIGBIVSRR-NVNXTCNLSA-N -1 0 338.359 3.289 20 30 EGEDRM Cn1ccc(C([O-])=C(C#N)C(=O)NC2CCCC2)c1-c1ccccc1 ZINC000850767473 1322286166 /nfs/dbraw/zinc/28/61/66/1322286166.db2.gz BYHMOTUELBDGBC-QGZVFWFLSA-N -1 0 335.407 3.073 20 30 EGEDRM CC(C)(C#N)C(=O)N1CCC([C@H](CC(=O)[O-])c2ccccc2)CC1 ZINC000923087944 1322689660 /nfs/dbraw/zinc/68/96/60/1322689660.db2.gz CPOJQFMWIUINME-MRXNPFEDSA-N -1 0 328.412 3.033 20 30 EGEDRM C#CCN(Cc1ccc(F)cc1)C(=O)NC[C@H](CC(=O)[O-])CC(C)C ZINC000851653746 1323068807 /nfs/dbraw/zinc/06/88/07/1323068807.db2.gz ZPWRSAGJZAWXQM-INIZCTEOSA-N -1 0 348.418 3.108 20 30 EGEDRM C[C@@H]1CCN(c2c(Cl)cccc2C#N)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000853988980 1325198193 /nfs/dbraw/zinc/19/81/93/1325198193.db2.gz GURDNIUIZDKDLG-SKDRFNHKSA-N -1 0 345.752 3.105 20 30 EGEDRM C=CC[C@H](NC(=O)N[C@H](CC1CCCCC1)C(=O)[O-])c1ccncc1 ZINC000929033226 1328492542 /nfs/dbraw/zinc/49/25/42/1328492542.db2.gz KXNJQKWJJJLLJT-DLBZAZTESA-N -1 0 345.443 3.422 20 30 EGEDRM CC(C[C@H]1CCCC(=O)N1)N=Nc1nc2ccccc2[nH]c1=S ZINC000863125049 1329530008 /nfs/dbraw/zinc/53/00/08/1329530008.db2.gz LSJBKMUCDWCBCT-LLVKDONJSA-N -1 0 329.429 3.139 20 30 EGEDRM C=CCC[C@H](NC(=O)/C=C\c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000864142315 1329601549 /nfs/dbraw/zinc/60/15/49/1329601549.db2.gz GBISQRKIYANMPL-XPSMFNQNSA-N -1 0 327.302 3.254 20 30 EGEDRM CC(C)(C#N)CS(=O)(=O)[N-]C(=O)c1ccc(-c2ccccc2)s1 ZINC001323471469 1387373685 /nfs/dbraw/zinc/37/36/85/1387373685.db2.gz LCUWMTXAQBUPOM-UHFFFAOYSA-N -1 0 348.449 3.024 20 30 EGEDRM CC(C)Oc1ccc(CCNC(=O)CCC(=O)C2=CC=C[CH]2)cc1 ZINC001184246046 1387419485 /nfs/dbraw/zinc/41/94/85/1387419485.db2.gz IRZNOOWGJZTHHX-UHFFFAOYSA-N -1 0 326.416 3.182 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccsc2)c(OC(F)(F)F)c1 ZINC001185382902 1387698715 /nfs/dbraw/zinc/69/87/15/1387698715.db2.gz PDEYAXVSZAOSLY-UHFFFAOYSA-N -1 0 348.327 3.319 20 30 EGEDRM N#Cc1c(Cl)cccc1[N-]S(=O)(=O)Cc1ccc(F)cc1F ZINC001189827631 1367115773 /nfs/dbraw/zinc/11/57/73/1367115773.db2.gz RTRAQOVZVNEMIO-UHFFFAOYSA-N -1 0 342.754 3.432 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]c2ccc(C#N)cc2OC(F)(F)F)CC1 ZINC001190805386 1367354196 /nfs/dbraw/zinc/35/41/96/1367354196.db2.gz JNEHFXZQDRIKOH-UHFFFAOYSA-N -1 0 346.330 3.307 20 30 EGEDRM Cc1c(Cl)ccc(S(=O)(=O)[N-]c2cccnc2C#N)c1Cl ZINC001191728841 1367572926 /nfs/dbraw/zinc/57/29/26/1367572926.db2.gz OFCIPNPXYRFOLR-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM Cc1nc(C#N)c([N-]S(=O)(=O)c2ccc(Cl)c(C)c2Cl)o1 ZINC001191732153 1367573876 /nfs/dbraw/zinc/57/38/76/1367573876.db2.gz XBEHTCWDYMERMX-UHFFFAOYSA-N -1 0 346.195 3.271 20 30 EGEDRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(C#N)c(F)c1 ZINC001191820955 1367600498 /nfs/dbraw/zinc/60/04/98/1367600498.db2.gz ABAZUEWDYQYBLA-UHFFFAOYSA-N -1 0 334.372 3.205 20 30 EGEDRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(C)c(C#N)c1 ZINC001191821281 1367601999 /nfs/dbraw/zinc/60/19/99/1367601999.db2.gz HMLHLIXNHNGVEO-UHFFFAOYSA-N -1 0 330.409 3.375 20 30 EGEDRM Cc1cc(C#N)cc(C)c1[N-]S(=O)(=O)C(Cl)(Cl)Cl ZINC001192035320 1367672502 /nfs/dbraw/zinc/67/25/02/1367672502.db2.gz PXGVRCVJMGZFMP-UHFFFAOYSA-N -1 0 327.620 3.245 20 30 EGEDRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2scc(C)c2C#N)c1 ZINC001192755983 1367868490 /nfs/dbraw/zinc/86/84/90/1367868490.db2.gz GUSBQMWWMIOSHL-UHFFFAOYSA-N -1 0 336.438 3.300 20 30 EGEDRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C)c(C#N)c2)c1 ZINC001192805716 1367878482 /nfs/dbraw/zinc/87/84/82/1367878482.db2.gz NXBHDTAADIHSSY-UHFFFAOYSA-N -1 0 330.409 3.239 20 30 EGEDRM N#Cc1ccc(NC(=O)c2cc(Cl)nc(Cl)c2[O-])c(C#N)c1 ZINC001193094368 1367942699 /nfs/dbraw/zinc/94/26/99/1367942699.db2.gz YSJFNGKVNMUEQU-UHFFFAOYSA-N -1 0 333.134 3.090 20 30 EGEDRM N#Cc1cc(C(=O)Nc2nc(Cl)c(Cl)nc2Cl)ccc1[O-] ZINC001193500017 1368045955 /nfs/dbraw/zinc/04/59/55/1368045955.db2.gz ZACWEIGQCCUTJH-UHFFFAOYSA-N -1 0 343.557 3.266 20 30 EGEDRM C[C@@H]1OC2(CCN(C(=O)c3ccc([O-])c(C#N)c3)CC2)c2ccccc21 ZINC001193505653 1368047462 /nfs/dbraw/zinc/04/74/62/1368047462.db2.gz LHVQOTWRSXFDLE-AWEZNQCLSA-N -1 0 348.402 3.487 20 30 EGEDRM CCOC(=O)Nc1ccc(NC(=O)c2ccc([O-])c(C#N)c2)cc1 ZINC001193506552 1368047615 /nfs/dbraw/zinc/04/76/15/1368047615.db2.gz TWFRCVZTGKYORR-UHFFFAOYSA-N -1 0 325.324 3.085 20 30 EGEDRM COc1cc(OC)c(NC(=O)c2cccc(C#N)c2[O-])cc1Cl ZINC001193634239 1368080449 /nfs/dbraw/zinc/08/04/49/1368080449.db2.gz BCKYKDKYPFHBJP-UHFFFAOYSA-N -1 0 332.743 3.187 20 30 EGEDRM CCCOc1ccc([N-]S(=O)(=O)c2cc(OC)ccc2C#N)cc1 ZINC001193679518 1368092950 /nfs/dbraw/zinc/09/29/50/1368092950.db2.gz FRHIJCDDRKRNIJ-UHFFFAOYSA-N -1 0 346.408 3.156 20 30 EGEDRM N#Cc1oc2ccccc2c1[N-]C(=O)c1ncn(-c2cccc(F)c2)n1 ZINC001193744510 1368106733 /nfs/dbraw/zinc/10/67/33/1368106733.db2.gz CXZLASMHMZTAJT-UHFFFAOYSA-N -1 0 347.309 3.277 20 30 EGEDRM N#Cc1sccc1NC(=O)c1cn(-c2cccc(Cl)c2)nn1 ZINC001194140135 1368190213 /nfs/dbraw/zinc/19/02/13/1368190213.db2.gz KQBBMOYWOMTXTA-UHFFFAOYSA-N -1 0 329.772 3.106 20 30 EGEDRM C#Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)cc1F ZINC001194304503 1368227226 /nfs/dbraw/zinc/22/72/26/1368227226.db2.gz QHTMANWZMLFTLX-UHFFFAOYSA-N -1 0 344.289 3.022 20 30 EGEDRM COc1ccc(C#N)c([N-]S(=O)(=O)c2c(C)cccc2Cl)c1 ZINC001195310314 1368418684 /nfs/dbraw/zinc/41/86/84/1368418684.db2.gz YOZNXFNMCHCWGR-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM CN(CC1(C)COC1)C(=O)c1cc(O)cc(-c2cccc(C#N)c2)c1 ZINC001196315363 1368587248 /nfs/dbraw/zinc/58/72/48/1368587248.db2.gz CYPJWRLEJFYYJT-UHFFFAOYSA-N -1 0 336.391 3.039 20 30 EGEDRM Cc1nc(C#N)c([N-]S(=O)(=O)Cc2cc(Cl)ccc2Cl)o1 ZINC001197504717 1368829165 /nfs/dbraw/zinc/82/91/65/1368829165.db2.gz MMXOAXDDJXOYOL-UHFFFAOYSA-N -1 0 346.195 3.103 20 30 EGEDRM C=CCSc1ncccc1C(=O)Nc1ccc2[nH][nH]c(=O)c2c1 ZINC001199740338 1369264977 /nfs/dbraw/zinc/26/49/77/1369264977.db2.gz LGAKJIVITZVDCM-UHFFFAOYSA-N -1 0 326.381 3.194 20 30 EGEDRM CC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C)c2F)c(C#N)c1 ZINC001200798846 1369430845 /nfs/dbraw/zinc/43/08/45/1369430845.db2.gz QFMMLYGIKDOAQZ-UHFFFAOYSA-N -1 0 332.356 3.009 20 30 EGEDRM C#Cc1cc([N-]S(=O)(=O)c2sc(Cl)nc2C)ccc1F ZINC001201760572 1369618471 /nfs/dbraw/zinc/61/84/71/1369618471.db2.gz NJPILEJUQXJBPD-UHFFFAOYSA-N -1 0 330.793 3.026 20 30 EGEDRM N#Cc1ncccc1[N-]S(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC001187036690 1388043719 /nfs/dbraw/zinc/04/37/19/1388043719.db2.gz VOJPLRLGALIYTC-UHFFFAOYSA-N -1 0 342.207 3.202 20 30 EGEDRM O=C(CCc1nc(-c2cccc(C(F)(F)F)n2)no1)C1=CC=C[CH]1 ZINC001204656447 1370537871 /nfs/dbraw/zinc/53/78/71/1370537871.db2.gz LBKNJCDHUUVPJG-UHFFFAOYSA-N -1 0 334.277 3.353 20 30 EGEDRM Cn1c(C=NNc2ccccc2F)c(Br)cc1C(=O)[O-] ZINC001116077423 1370832925 /nfs/dbraw/zinc/83/29/25/1370832925.db2.gz SREXYAWWGPIYCM-UHFFFAOYSA-N -1 0 340.152 3.071 20 30 EGEDRM COC(=O)c1cc(C#N)cc(C)c1Nc1ccc(OC)c(C(=O)[O-])c1 ZINC001209904207 1372228766 /nfs/dbraw/zinc/22/87/66/1372228766.db2.gz DXMMKYYITPDGKX-UHFFFAOYSA-N -1 0 340.335 3.104 20 30 EGEDRM COc1cc(C#N)c(Nc2cc(C(=O)[O-])cc(F)c2C)cc1OC ZINC001210007418 1372253720 /nfs/dbraw/zinc/25/37/20/1372253720.db2.gz FNFUDRRHRUPEPO-UHFFFAOYSA-N -1 0 330.315 3.465 20 30 EGEDRM N#Cc1cncc(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)c1 ZINC001210086337 1372268803 /nfs/dbraw/zinc/26/88/03/1372268803.db2.gz DZZSFKAWMWLPNI-UHFFFAOYSA-N -1 0 341.326 3.178 20 30 EGEDRM CCOC(=O)c1c(C)oc(Nc2cccc(C(=O)[O-])c2F)c1C#N ZINC001210238188 1372301302 /nfs/dbraw/zinc/30/13/02/1372301302.db2.gz IKMLYNATOIEOFP-UHFFFAOYSA-N -1 0 332.287 3.217 20 30 EGEDRM COC(=O)c1cc(Nc2cc(Cl)cc(C(=O)[O-])c2)ccc1C#N ZINC001211969547 1372642623 /nfs/dbraw/zinc/64/26/23/1372642623.db2.gz OTESPFWZPCDHTA-UHFFFAOYSA-N -1 0 330.727 3.440 20 30 EGEDRM Cc1cc(-c2noc(C(=O)[N-]c3c(F)cccc3F)n2)ccc1C#N ZINC001212171175 1372666824 /nfs/dbraw/zinc/66/68/24/1372666824.db2.gz PPXCJMNBGVZELG-UHFFFAOYSA-N -1 0 340.289 3.447 20 30 EGEDRM CCCCCCCCS(=O)(=O)[N-]c1cc(F)ccc1C(N)=O ZINC001188012917 1388214556 /nfs/dbraw/zinc/21/45/56/1388214556.db2.gz JPINVHMJMZKPOI-UHFFFAOYSA-N -1 0 330.425 3.027 20 30 EGEDRM N#CC1(c2ccc(Nc3nc[n-]c(=O)c3Br)cc2)CC1 ZINC001212251572 1372679691 /nfs/dbraw/zinc/67/96/91/1372679691.db2.gz KKRLACDULOWJRG-UHFFFAOYSA-N -1 0 331.173 3.243 20 30 EGEDRM CCCCCCCCS(=O)(=O)N[C@@H]1c2cc(C)ccc2NC1=O ZINC001188021778 1388217182 /nfs/dbraw/zinc/21/71/82/1388217182.db2.gz SOOLFSYWIHVCCS-MRXNPFEDSA-N -1 0 338.473 3.268 20 30 EGEDRM Cc1cc(C#N)c(Nc2ccc(NC(=O)CCC(=O)[O-])cc2)s1 ZINC001213179313 1372854115 /nfs/dbraw/zinc/85/41/15/1372854115.db2.gz JGXOHEIXDKBTCR-UHFFFAOYSA-N -1 0 329.381 3.475 20 30 EGEDRM N#Cc1ccc(Nc2ccc(NC(=O)CCC(=O)[O-])cc2)c(F)c1 ZINC001213189528 1372855927 /nfs/dbraw/zinc/85/59/27/1372855927.db2.gz JRGSKFLLQYPCHY-UHFFFAOYSA-N -1 0 327.315 3.244 20 30 EGEDRM Cc1cc(-c2noc(-c3cc(=O)c4ccccc4[n-]3)n2)ccc1C#N ZINC001217368704 1373432974 /nfs/dbraw/zinc/43/29/74/1373432974.db2.gz YKFOTEPATWVQDC-UHFFFAOYSA-N -1 0 328.331 3.425 20 30 EGEDRM C=CC[C@H](NC(=O)[C@@H](C)Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001327013004 1388364628 /nfs/dbraw/zinc/36/46/28/1388364628.db2.gz HEPSFEFICNMNTM-GWCFXTLKSA-N -1 0 329.318 3.030 20 30 EGEDRM N#Cc1cc(F)c(=O)[n-]c1O[C@@H]1CC[C@@H](OCc2ccccc2)C1 ZINC001226016398 1375190424 /nfs/dbraw/zinc/19/04/24/1375190424.db2.gz SVHJFNSHBDPIPF-HUUCEWRRSA-N -1 0 328.343 3.315 20 30 EGEDRM C=C[C@]1(C)CC[C@H](Oc2n[n-]c(=O)cc2Br)C(C)(C)O1 ZINC001226849741 1375345534 /nfs/dbraw/zinc/34/55/34/1375345534.db2.gz QAWBLUBOGGVWNG-IINYFYTJSA-N -1 0 343.221 3.226 20 30 EGEDRM C=CC[C@@H](C=C)Oc1cc([O-])c(Br)cc1C(=O)OC ZINC001227360042 1375422089 /nfs/dbraw/zinc/42/20/89/1375422089.db2.gz QRPJUKUKGXRWQA-SECBINFHSA-N -1 0 327.174 3.451 20 30 EGEDRM CSc1ncc(C#N)c(OC(=C([O-])c2ccco2)c2ccco2)n1 ZINC001228682868 1375640187 /nfs/dbraw/zinc/64/01/87/1375640187.db2.gz HPTOQLIKOGNGFP-CQSZACIVSA-N -1 0 341.348 3.259 20 30 EGEDRM CC(C)CCOC(=O)[C@H](Oc1[n-]c(=O)ccc1C#N)c1ccccc1 ZINC001228901163 1375710405 /nfs/dbraw/zinc/71/04/05/1375710405.db2.gz JUGCAKXQOPWNGL-QGZVFWFLSA-N -1 0 340.379 3.368 20 30 EGEDRM C#CC[C@H](C)Oc1nc(SC)[n-]c(=O)c1Oc1ccc(OC)cc1 ZINC001231123574 1376208066 /nfs/dbraw/zinc/20/80/66/1376208066.db2.gz JGPCAXWIYNSQOF-NSHDSACASA-N -1 0 346.408 3.496 20 30 EGEDRM C[C@@H](Oc1cc([O-])c([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1C#N ZINC001231222869 1376214156 /nfs/dbraw/zinc/21/41/56/1376214156.db2.gz CAYOADYFKUVAAV-SECBINFHSA-N -1 0 329.268 3.220 20 30 EGEDRM CCCCCCC[C@H](C)OC1=C([O-])C(C(=O)OC)N=C1C(=O)OC ZINC001234350275 1376814836 /nfs/dbraw/zinc/81/48/36/1376814836.db2.gz GRYASEJDAFKAML-NSHDSACASA-N -1 0 341.404 3.421 20 30 EGEDRM C=C[C@H](CCCCCC)OC1=C([O-])C(C(=O)OC)N=C1C(=O)OC ZINC001234353591 1376816266 /nfs/dbraw/zinc/81/62/66/1376816266.db2.gz BVOJVRZXJDIBHQ-LLVKDONJSA-N -1 0 339.388 3.197 20 30 EGEDRM Cc1ccc(F)c(-c2nccnc2[C@@H](C#N)C(=O)OC(C)(C)C)c1[O-] ZINC001236389360 1376952350 /nfs/dbraw/zinc/95/23/50/1376952350.db2.gz BBAWINRGWWAPEZ-LLVKDONJSA-N -1 0 343.358 3.246 20 30 EGEDRM N#Cc1ccc2c(c1)CN(Cc1ccc(Cl)cc1C(=O)[O-])CC2 ZINC001142646854 1378469063 /nfs/dbraw/zinc/46/90/63/1378469063.db2.gz GQIJTAWORMYNHT-UHFFFAOYSA-N -1 0 326.783 3.468 20 30 EGEDRM CN(C)[C@@H](C(=O)Nc1cc(C#N)c(F)cc1[O-])c1ccccc1Cl ZINC001143615382 1378625427 /nfs/dbraw/zinc/62/54/27/1378625427.db2.gz CWGSFFWQMAONHI-MRXNPFEDSA-N -1 0 347.777 3.298 20 30 EGEDRM N#Cc1oc2ccccc2c1[N-]C(=O)c1cncc(Br)n1 ZINC001147863927 1379093329 /nfs/dbraw/zinc/09/33/29/1379093329.db2.gz WEVDSEWQYNSPEE-UHFFFAOYSA-N -1 0 343.140 3.109 20 30 EGEDRM C=CCOc1ccc(C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)cc1 ZINC001148463396 1379178111 /nfs/dbraw/zinc/17/81/11/1379178111.db2.gz AEYLHYOEZBZPAX-UHFFFAOYSA-N -1 0 335.363 3.395 20 30 EGEDRM CC(=NNCC1CCOCC1)c1oc2cc(C)ccc2c1CC(=O)[O-] ZINC001327801516 1388597334 /nfs/dbraw/zinc/59/73/34/1388597334.db2.gz JZPUTEIITSTSSR-UHFFFAOYSA-N -1 0 344.411 3.109 20 30 EGEDRM CC(C)c1cccc(NC(=O)c2cc(=O)c3cc(C#N)ccc3[n-]2)n1 ZINC001154552257 1380304709 /nfs/dbraw/zinc/30/47/09/1380304709.db2.gz OVLJCQWOQHYOSS-UHFFFAOYSA-N -1 0 332.363 3.170 20 30 EGEDRM COC(=O)c1cc(C(=O)[N-]c2ccccc2S[C@@H](C)CC#N)on1 ZINC001293360710 1382276666 /nfs/dbraw/zinc/27/66/66/1382276666.db2.gz BTQGWEJJPLZBCC-JTQLQIEISA-N -1 0 345.380 3.108 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC3(C#N)CCC3)cn2)cc1 ZINC001162309324 1382727339 /nfs/dbraw/zinc/72/73/39/1382727339.db2.gz GDAPDLIWASENTG-UHFFFAOYSA-N -1 0 342.424 3.049 20 30 EGEDRM Cc1nn(C)c(C)c1CNc1cc(/C=N/[O-])cc(C(F)(F)F)c1 ZINC001162884891 1382905121 /nfs/dbraw/zinc/90/51/21/1382905121.db2.gz URSJNNKAZFVQCQ-IFRROFPPSA-N -1 0 326.322 3.476 20 30 EGEDRM COc1ccccc1-c1ccc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)s1 ZINC001300044173 1383640873 /nfs/dbraw/zinc/64/08/73/1383640873.db2.gz CJSLYFBAZVULTR-UHFFFAOYSA-N -1 0 349.375 3.142 20 30 EGEDRM C#C[C@@](C)(CC)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)nc1 ZINC001169698215 1384174817 /nfs/dbraw/zinc/17/48/17/1384174817.db2.gz RQVIMGAWTBAJLG-SFHVURJKSA-N -1 0 343.452 3.405 20 30 EGEDRM C[C@H](CC#N)NCc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1 ZINC001171641436 1384590151 /nfs/dbraw/zinc/59/01/51/1384590151.db2.gz KDNUORNGJMJWMX-SNVBAGLBSA-N -1 0 342.399 3.182 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1N=NCc1nc(-c2ccccc2)c[nH]1 ZINC001319504878 1386151316 /nfs/dbraw/zinc/15/13/16/1386151316.db2.gz OLFXUZXSBGTWSX-UHFFFAOYSA-N -1 0 336.351 3.230 20 30 EGEDRM N#CCOc1ccc(NC(=O)c2cccc(Br)c2[O-])cc1 ZINC001319718980 1386267563 /nfs/dbraw/zinc/26/75/63/1386267563.db2.gz VMBXBLAHVVJNFN-UHFFFAOYSA-N -1 0 347.168 3.309 20 30 EGEDRM CCOCCON=Cc1cccc(OCc2cccc(C(=O)[O-])c2)c1 ZINC001320393617 1386598186 /nfs/dbraw/zinc/59/81/86/1386598186.db2.gz KBPJQCWEEMYFBN-UHFFFAOYSA-N -1 0 343.379 3.351 20 30 EGEDRM C=CC[C@H](NC(=O)Nc1ccc(OC2CCCC2)c(F)c1)C(=O)[O-] ZINC001321149404 1386822395 /nfs/dbraw/zinc/82/23/95/1386822395.db2.gz NVFZHNJXUIEHKB-AWEZNQCLSA-N -1 0 336.363 3.298 20 30 EGEDRM C=CC[C@H](NC(=O)c1cn(Cc2ccccc2)c2ccccc12)C(=O)[O-] ZINC001321167540 1386827884 /nfs/dbraw/zinc/82/78/84/1386827884.db2.gz XURDZUUDPICRFR-SFHVURJKSA-N -1 0 348.402 3.449 20 30 EGEDRM CC(C)Oc1ccccc1[N-]S(=O)(=O)c1ccc(CC#N)cc1 ZINC001322285635 1387141288 /nfs/dbraw/zinc/14/12/88/1387141288.db2.gz GENLAZICBAQZCY-UHFFFAOYSA-N -1 0 330.409 3.341 20 30 EGEDRM CCOC(=O)COc1ccc(/C=C\C(=O)c2ccc(F)cc2[O-])cc1 ZINC001322495867 1387195584 /nfs/dbraw/zinc/19/55/84/1387195584.db2.gz TYWBCSYYHVWKFD-YHYXMXQVSA-N -1 0 344.338 3.369 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)N(c2ccccc2)[C@H]2C[C@H]2C)cc1C#N ZINC001338198823 1389582562 /nfs/dbraw/zinc/58/25/62/1389582562.db2.gz JJTBMLQFKQPQRP-ABAIWWIYSA-N -1 0 339.420 3.436 20 30 EGEDRM N#CCC[C@H](NC(=O)N1CCCC[C@@H]1CCC(=O)[O-])c1ccccc1 ZINC001339854509 1390176082 /nfs/dbraw/zinc/17/60/82/1390176082.db2.gz GNULRHKADPFOKC-SJORKVTESA-N -1 0 343.427 3.460 20 30 EGEDRM C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC001339946137 1390196050 /nfs/dbraw/zinc/19/60/50/1390196050.db2.gz LCVCWGGNOABVDK-MRXNPFEDSA-N -1 0 330.428 3.070 20 30 EGEDRM C=CCn1c(-c2c[n-]n(CC)c2=O)nnc1N(C)c1ccc(C)cc1 ZINC001340206740 1390250057 /nfs/dbraw/zinc/25/00/57/1390250057.db2.gz ALTCLIXMVZICDW-UHFFFAOYSA-N -1 0 338.415 3.129 20 30 EGEDRM N#CC(=C([O-])C=Cc1cccc(F)c1)c1nc(N)c2ccccc2n1 ZINC001343272839 1390704110 /nfs/dbraw/zinc/70/41/10/1390704110.db2.gz LUNKBFQQVYSPTE-WHLNPGIBSA-N -1 0 332.338 3.241 20 30 EGEDRM Cn1ccc2c1cccc2C([O-])=C(C#N)c1nc(N)c2ccccc2n1 ZINC001343445232 1390714507 /nfs/dbraw/zinc/71/45/07/1390714507.db2.gz BJVDIUZPKBUPAY-OAHLLOKOSA-N -1 0 341.374 3.194 20 30 EGEDRM N#CC(=C([O-])c1cccc2c[nH]nc21)c1nccn1Cc1ccccc1 ZINC001343980592 1390748124 /nfs/dbraw/zinc/74/81/24/1390748124.db2.gz XTGHSCKEPGHMNP-KRWDZBQOSA-N -1 0 341.374 3.298 20 30 EGEDRM Cc1cc(F)ccc1-n1ccc(C([O-])=C(C#N)c2cccc(F)n2)n1 ZINC001344021453 1390750761 /nfs/dbraw/zinc/75/07/61/1390750761.db2.gz KCQDUENDEFFDMP-ZDUSSCGKSA-N -1 0 338.317 3.344 20 30 EGEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1cc(C)nc(C)c1)c1ccccc1 ZINC001344580846 1390800923 /nfs/dbraw/zinc/80/09/23/1390800923.db2.gz URJKBVZJLDQAAT-ROUUACIJSA-N -1 0 335.407 3.288 20 30 EGEDRM CCc1nc(C)c(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)s1 ZINC001347092497 1390999894 /nfs/dbraw/zinc/99/98/94/1390999894.db2.gz OFEMTRVLMKMOGH-LLVKDONJSA-N -1 0 337.408 3.029 20 30 EGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H](C)C(C)(C)C ZINC000735418732 1429264301 /nfs/dbraw/zinc/26/43/01/1429264301.db2.gz HTAYYHDCSZOXSU-CYBMUJFWSA-N -1 0 327.432 3.064 20 30 EGEDRM Cc1cc(F)ccc1C(C)N=Nc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000735450844 1424792618 /nfs/dbraw/zinc/79/26/18/1424792618.db2.gz FZEFJZCUOKPDIK-UHFFFAOYSA-N -1 0 343.366 3.262 20 30 EGEDRM O=C(C=Cc1cccc(F)c1F)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826401212 1424952902 /nfs/dbraw/zinc/95/29/02/1424952902.db2.gz SNMSNXXROWVOOG-ALCCZGGFSA-N -1 0 330.269 3.180 20 30 EGEDRM C=CCC(CC=C)C(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000819733929 1425181426 /nfs/dbraw/zinc/18/14/26/1425181426.db2.gz FLWPXDUJMGZVRG-UHFFFAOYSA-N -1 0 331.807 3.251 20 30 EGEDRM Cc1ccc(C(C)N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)cc1 ZINC000823953586 1425430121 /nfs/dbraw/zinc/43/01/21/1425430121.db2.gz ICARQSWPFCFCSD-UHFFFAOYSA-N -1 0 327.779 3.060 20 30 EGEDRM N#Cc1ccc(NCc2ccccc2-c2nn[n-]n2)cc1C(F)(F)F ZINC000737718952 1425512285 /nfs/dbraw/zinc/51/22/85/1425512285.db2.gz OAZAEIWUAWZFPI-UHFFFAOYSA-N -1 0 344.300 3.369 20 30 EGEDRM CCOc1ccccc1C=NNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825654132 1426503867 /nfs/dbraw/zinc/50/38/67/1426503867.db2.gz PEAXDVOZKMNPNQ-UHFFFAOYSA-N -1 0 342.790 3.365 20 30 EGEDRM C=CCNc1nnc(S[C@H](C)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000735433003 1427084270 /nfs/dbraw/zinc/08/42/70/1427084270.db2.gz XYZMECYMKFITHW-SECBINFHSA-N -1 0 345.457 3.169 20 30 EGEDRM C[C@@H]1CCC[C@@H](CCSc2nc(N)c(-c3nn[n-]n3)cc2C#N)C1 ZINC000820697107 1427195375 /nfs/dbraw/zinc/19/53/75/1427195375.db2.gz DXLXOAACINJGCG-MNOVXSKESA-N -1 0 343.460 3.024 20 30 EGEDRM N#C[C@@H](Cc1ccccc1)Sc1ccc(-c2nn[n-]n2)cc1F ZINC000737674857 1427609146 /nfs/dbraw/zinc/60/91/46/1427609146.db2.gz MACIGATUPSIKEM-CYBMUJFWSA-N -1 0 325.372 3.233 20 30 EGEDRM C[C@@H](C=NNCc1ccc(-c2nn[n-]n2)cc1)c1cccc(Cl)c1 ZINC000824384959 1427944278 /nfs/dbraw/zinc/94/42/78/1427944278.db2.gz INWYPSSVALNJIR-LBPRGKRZSA-N -1 0 340.818 3.399 20 30 EGEDRM O=C(C=Cc1cncc2ccccc12)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826403345 1427982990 /nfs/dbraw/zinc/98/29/90/1427982990.db2.gz PQRLNKGNKPSYRO-VURMDHGXSA-N -1 0 345.337 3.450 20 30 EGEDRM N#Cc1ccc2c(c1)CCC(=Cc1ccc(-c3nn[n-]n3)cc1F)C2=O ZINC000822837373 1429782562 /nfs/dbraw/zinc/78/25/62/1429782562.db2.gz LQAFMVPQVAWGCS-ZSOIEALJSA-N -1 0 345.337 3.090 20 30 EGEDRM C[C@H]1c2c(c(O)ccc2F)C(=O)C1=Cc1ccccc1-c1nn[n-]n1 ZINC000824860740 1442149689 /nfs/dbraw/zinc/14/96/89/1442149689.db2.gz XLDPLHHBKFNNBQ-ZPBHHCQCSA-N -1 0 336.326 3.095 20 30 EGEDRM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC(C)Cc2cccs2)o1 ZINC000736066486 1442315230 /nfs/dbraw/zinc/31/52/30/1442315230.db2.gz NLORRDQEWNJXGL-UHFFFAOYSA-N -1 0 345.432 3.145 20 30 EGEDRM C[C@@H](CCC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000824402100 1443246436 /nfs/dbraw/zinc/24/64/36/1443246436.db2.gz UBQJPUMKJSWBQF-ZDUSSCGKSA-N -1 0 346.394 3.261 20 30 EGEDRM O=C1c2cc(Cl)ccc2OC1=Cc1cc(-c2nnn[n-]2)cs1 ZINC000823504154 1443442452 /nfs/dbraw/zinc/44/24/52/1443442452.db2.gz MUHPPZBWXBHUHP-LFYBBSHMSA-N -1 0 330.756 3.198 20 30 EGEDRM CCOc1cccc(C=N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1O ZINC000821427502 1446947073 /nfs/dbraw/zinc/94/70/73/1446947073.db2.gz UHIZDPYRBREJHQ-XHEYCZLTSA-N -1 0 337.383 3.151 20 30 EGEDRM O=C(C=Cc1cncc2ccccc12)c1ccc(-c2nn[n-]n2)cc1F ZINC000826402777 1446951004 /nfs/dbraw/zinc/95/10/04/1446951004.db2.gz BOCDMZCJTPHZEL-SOFGYWHQSA-N -1 0 345.337 3.450 20 30 EGEDRM CCCCCCCC(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000864176269 939255478 /nfs/dbraw/zinc/25/54/78/939255478.db2.gz XYKQDCIKMULKBD-KRWDZBQOSA-N -1 0 336.388 3.371 20 30 EGEDRM C=CC1(CC(=O)N[C@H](C(=O)[O-])[C@H]2CCC[C@@H](OC)C2)CCCCC1 ZINC000907695507 939301119 /nfs/dbraw/zinc/30/11/19/939301119.db2.gz GGDYQOXXFGKNIS-UXLLHSPISA-N -1 0 337.460 3.288 20 30 EGEDRM N#Cc1cccc(-c2cc(C(=O)Nc3cccc(CC(=O)[O-])c3)on2)c1 ZINC001601115935 970935801 /nfs/dbraw/zinc/93/58/01/970935801.db2.gz FISXLPXSDGHEGY-UHFFFAOYSA-N -1 0 347.330 3.093 20 30 EGEDRM C#C[C@@H](NC(=O)[C@@]1(C(=O)[O-])CC=CCC1)c1ccc(Cl)cc1F ZINC001602673441 971240221 /nfs/dbraw/zinc/24/02/21/971240221.db2.gz URWNSKKGFZJBKB-RHSMWYFYSA-N -1 0 335.762 3.081 20 30 EGEDRM C#CCN(C(=O)Nc1cc(C(=O)[O-])ccn1)[C@@H]1CCCc2ccccc21 ZINC001602675790 971254305 /nfs/dbraw/zinc/25/43/05/971254305.db2.gz REEZRORZAZYMKC-QGZVFWFLSA-N -1 0 349.390 3.325 20 30 EGEDRM C#CCSc1ccc(COC(=O)[C@]2(C(=O)[O-])CC=CCC2)cc1 ZINC001602704562 971335402 /nfs/dbraw/zinc/33/54/02/971335402.db2.gz KYSJRQDYEBXLFL-GOSISDBHSA-N -1 0 330.405 3.266 20 30 EGEDRM C=CCCC(C)(C)CNC(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001602718939 971379592 /nfs/dbraw/zinc/37/95/92/971379592.db2.gz GETDKMBFZCXEAK-LJQANCHMSA-N -1 0 332.444 3.321 20 30 EGEDRM C=CCCC1(CNC(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)CCCC1 ZINC001602719039 971380661 /nfs/dbraw/zinc/38/06/61/971380661.db2.gz LGBUPRJCLIALBP-UHFFFAOYSA-N -1 0 348.447 3.351 20 30 EGEDRM C=CCn1c(S[C@@H](CC)C(=O)[O-])nc2cc(Cl)ccc2c1=O ZINC001602730946 971410167 /nfs/dbraw/zinc/41/01/67/971410167.db2.gz LTJDFPQJIKSTBA-LBPRGKRZSA-N -1 0 338.816 3.191 20 30 EGEDRM CC(C)c1ccccc1N=C1SCCCN1C(=O)[C@H](C)C(=O)[O-] ZINC001602796823 971563555 /nfs/dbraw/zinc/56/35/55/971563555.db2.gz IMIPVAMAXRUJQQ-LBPRGKRZSA-N -1 0 334.441 3.484 20 30 EGEDRM CCN(C(=O)c1cccc(Oc2ccc(C#N)cc2)c1)[C@H](C)C(=O)[O-] ZINC001589711439 950334310 /nfs/dbraw/zinc/33/43/10/950334310.db2.gz VLDSBQQHCYJGMA-CYBMUJFWSA-N -1 0 338.363 3.286 20 30 EGEDRM O=C([O-])CCc1cccc(NC(=O)C(=O)/C=C/c2ccc(F)cc2)c1 ZINC001595063053 951520908 /nfs/dbraw/zinc/52/09/08/951520908.db2.gz CPFLYFVJKCGGHM-UXBLZVDNSA-N -1 0 341.338 3.064 20 30 EGEDRM CCc1ccc(C#CC(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC001593633819 953596872 /nfs/dbraw/zinc/59/68/72/953596872.db2.gz QRONWEHHTHDUJI-OALUTQOASA-N -1 0 333.387 3.030 20 30 EGEDRM C[C@H]1CCN(C(=O)c2c(Cl)cc(C#N)cc2Cl)C[C@@H]1C(=O)[O-] ZINC001589348758 954069038 /nfs/dbraw/zinc/06/90/38/954069038.db2.gz UQJBUVJKDAURRC-WPRPVWTQSA-N -1 0 341.194 3.048 20 30 EGEDRM C[C@@H]1CCc2c(sc(NC(=O)c3cc(C#N)ccn3)c2C(=O)[O-])C1 ZINC001589364706 954180330 /nfs/dbraw/zinc/18/03/30/954180330.db2.gz XWHKOYZAZCUMRC-SECBINFHSA-N -1 0 341.392 3.090 20 30 EGEDRM O=C([O-])[C@H]1c2ccccc2CC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC001594964307 955034937 /nfs/dbraw/zinc/03/49/37/955034937.db2.gz GNUOTVAKWIEBPZ-GOSISDBHSA-N -1 0 325.795 3.376 20 30 EGEDRM C[C@H](CN(C)C(=O)c1ccccc1Oc1ccccc1C#N)C(=O)[O-] ZINC001589031510 955524335 /nfs/dbraw/zinc/52/43/35/955524335.db2.gz NZLZSZPQGXVGGR-CYBMUJFWSA-N -1 0 338.363 3.143 20 30 EGEDRM C[C@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589117474 956103612 /nfs/dbraw/zinc/10/36/12/956103612.db2.gz GQDQIEPMEXZZDU-VBNZEHGJSA-N -1 0 342.439 3.353 20 30 EGEDRM N#CC1(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)CCCCC1 ZINC001594603597 956156013 /nfs/dbraw/zinc/15/60/13/956156013.db2.gz GHLMRGCEUPNCJB-CVEARBPZSA-N -1 0 341.411 3.073 20 30 EGEDRM N#Cc1ccc(C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1Cl ZINC001594617944 956257262 /nfs/dbraw/zinc/25/72/62/956257262.db2.gz UBRXWJILALUWDF-GOEBONIOSA-N -1 0 340.766 3.255 20 30 EGEDRM N#Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC001594628603 956333382 /nfs/dbraw/zinc/33/33/82/956333382.db2.gz FWWRFFMWGJKZGK-MANSERQUSA-N -1 0 346.386 3.091 20 30 EGEDRM N#Cc1cnc(NCc2ccc(C(=O)[O-])cc2)c(Br)c1 ZINC001594632861 956353888 /nfs/dbraw/zinc/35/38/88/956353888.db2.gz FOVSGUHYMUCJBT-UHFFFAOYSA-N -1 0 332.157 3.026 20 30 EGEDRM C[C@H](OC(=O)[C@](C)(C#N)CC(=O)[O-])c1ccc(Br)cc1 ZINC001589154406 956362490 /nfs/dbraw/zinc/36/24/90/956362490.db2.gz UDRSTSGBVWAQIK-XPTSAGLGSA-N -1 0 340.173 3.058 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)N[C@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC001588409310 958125856 /nfs/dbraw/zinc/12/58/56/958125856.db2.gz DZOUFLXBQOIPQU-ZBFHGGJFSA-N -1 0 348.830 3.096 20 30 EGEDRM C=C[C@@H](CC(=O)N[C@H](C(=O)[O-])c1ccc(F)cc1)c1ccccc1 ZINC001588451174 958406069 /nfs/dbraw/zinc/40/60/69/958406069.db2.gz OFNPUDDXAKTWLA-UGSOOPFHSA-N -1 0 327.355 3.428 20 30 EGEDRM C=CC[C@H](Cc1ccccc1)NC(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001588453111 958431342 /nfs/dbraw/zinc/43/13/42/958431342.db2.gz NQFGIZJAUZVIRB-ZBTGYSDGSA-N -1 0 325.364 3.295 20 30 EGEDRM C=CC[C@H](Cc1ccccc1)NC(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001588453134 958431710 /nfs/dbraw/zinc/43/17/10/958431710.db2.gz PFZUQQVXESHKNR-HBIYDYFMSA-N -1 0 325.364 3.295 20 30 EGEDRM C#CCN(Cc1ccccc1)C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001573327571 958491556 /nfs/dbraw/zinc/49/15/56/958491556.db2.gz RDKQDKJQVZRTAU-RBUKOAKNSA-N -1 0 348.402 3.145 20 30 EGEDRM C=CCOc1ccc(CC(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1 ZINC001588466409 958512025 /nfs/dbraw/zinc/51/20/25/958512025.db2.gz OLWZRYJGIHFSBC-RRQGHBQHSA-N -1 0 345.439 3.046 20 30 EGEDRM Cc1cccc(-c2cnc(NC(=O)[C@](C)(C#N)CC(=O)[O-])s2)c1 ZINC001594386016 958668782 /nfs/dbraw/zinc/66/87/82/958668782.db2.gz MXWPJSSYFRUXCM-INIZCTEOSA-N -1 0 329.381 3.062 20 30 EGEDRM Cc1cccc([C@@H](NC(=O)Nc2ccc(C#N)cc2Cl)C(=O)[O-])c1 ZINC001594397398 958781352 /nfs/dbraw/zinc/78/13/52/958781352.db2.gz KIUUNVQNIDTHLW-OAHLLOKOSA-N -1 0 343.770 3.468 20 30 EGEDRM C[C@H](C(=O)[O-])C(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 ZINC001588584464 959288371 /nfs/dbraw/zinc/28/83/71/959288371.db2.gz DSZFKNHEPVHGDD-UWVGGRQHSA-N -1 0 334.441 3.430 20 30 EGEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)NC1(CC(=O)[O-])CCCCC1 ZINC001573608341 959465714 /nfs/dbraw/zinc/46/57/14/959465714.db2.gz PSHPFFOEKCJLAW-CQSZACIVSA-N -1 0 328.412 3.031 20 30 EGEDRM Cc1c2cc(C#N)ccc2sc1C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC001594255751 959645151 /nfs/dbraw/zinc/64/51/51/959645151.db2.gz KYDLPKYWTVSJJJ-MFKMUULPSA-N -1 0 342.420 3.264 20 30 EGEDRM Cc1c2cc(C#N)ccc2sc1C(=O)NC1CCC(C(=O)[O-])CC1 ZINC001594257369 959662996 /nfs/dbraw/zinc/66/29/96/959662996.db2.gz PEXVKYZZFPIIPI-UHFFFAOYSA-N -1 0 342.420 3.455 20 30 EGEDRM CN(C)c1ccc(C(=O)/C=C\c2ccc(OCC(=O)[O-])cc2)cc1 ZINC000211393735 959684894 /nfs/dbraw/zinc/68/48/94/959684894.db2.gz VAKDEUHHEOESKC-XGICHPGQSA-N -1 0 325.364 3.112 20 30 EGEDRM CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2ccc(C(=O)[O-])nc2)s1 ZINC001588742220 961179069 /nfs/dbraw/zinc/17/90/69/961179069.db2.gz YCQHYEKUPBBLPN-JTQLQIEISA-N -1 0 329.381 3.024 20 30 EGEDRM CC(C)(CCC(=O)[O-])Nc1nccc(Oc2cccc(C#N)c2)n1 ZINC001588768379 961255414 /nfs/dbraw/zinc/25/54/14/961255414.db2.gz PMVHSBPFHMUTAK-UHFFFAOYSA-N -1 0 326.356 3.196 20 30 EGEDRM N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc(C(=O)[O-])n[nH]2)cc1 ZINC001574474547 961641214 /nfs/dbraw/zinc/64/12/14/961641214.db2.gz POVNCCXOKDRNGE-HNNXBMFYSA-N -1 0 346.346 3.016 20 30 EGEDRM N#Cc1ccccc1/C=C/C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001574489067 961700917 /nfs/dbraw/zinc/70/09/17/961700917.db2.gz GIJGNSWAJWGUDZ-GBXWSJCFSA-N -1 0 332.359 3.001 20 30 EGEDRM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCCC(C)(C)C(=O)[O-] ZINC001340493853 962097674 /nfs/dbraw/zinc/09/76/74/962097674.db2.gz FWYGMAZGFTUALN-UHFFFAOYSA-N -1 0 345.443 3.227 20 30 EGEDRM C=C(C)C[C@H](NC(=O)c1cc(F)c(C(F)(F)F)c(F)c1)C(=O)[O-] ZINC001573322151 962765524 /nfs/dbraw/zinc/76/55/24/962765524.db2.gz VGHOULOOKJMMDL-JTQLQIEISA-N -1 0 337.244 3.133 20 30 EGEDRM C=C(C)C[C@@H](NCc1ccc(C(=O)[O-])c(Cl)c1)C(=O)OCC ZINC001573323372 962771209 /nfs/dbraw/zinc/77/12/09/962771209.db2.gz ANZGLINSEWSXEW-CQSZACIVSA-N -1 0 325.792 3.026 20 30 EGEDRM C=CCCCCn1c(C2CCC2)nnc1N1CCC[C@H](C(=O)[O-])C1 ZINC001573365437 963053496 /nfs/dbraw/zinc/05/34/96/963053496.db2.gz GMVMRGDREBLUCA-HNNXBMFYSA-N -1 0 332.448 3.203 20 30 EGEDRM C=CCN(CCc1ccccc1)C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001573369312 963094033 /nfs/dbraw/zinc/09/40/33/963094033.db2.gz XXBCSBKSZVBIPF-LUAWRHEFSA-N -1 0 325.364 3.248 20 30 EGEDRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)N[C@H](CCC#N)c2ccccc2)C1 ZINC001336848196 969734184 /nfs/dbraw/zinc/73/41/84/969734184.db2.gz KWGZCLJEBHRKHO-VQIMIIECSA-N -1 0 343.427 3.318 20 30 EGEDRM N#Cc1ccc(CNC(=O)N2CCCC[C@@H]2CCC(=O)[O-])cc1Cl ZINC001339863784 969740638 /nfs/dbraw/zinc/74/06/38/969740638.db2.gz BUYGFUKSVWLAMO-CQSZACIVSA-N -1 0 349.818 3.141 20 30 EGEDRM O=C([O-])[C@@H]1CC[C@H]1C(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC001595180428 970323449 /nfs/dbraw/zinc/32/34/49/970323449.db2.gz HMYVFYFKUOAIQH-HZPDHXFCSA-N -1 0 325.389 3.197 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC001609691397 970447928 /nfs/dbraw/zinc/44/79/28/970447928.db2.gz MJBFUUMCEVRENL-DXCKQFNASA-N -1 0 334.803 3.097 20 30 EGEDRM CC1(C)C[C@]1(C(=O)[O-])C(=O)N(O)Cc1cc(Cl)cc(Cl)c1 ZINC001603322401 972652768 /nfs/dbraw/zinc/65/27/68/972652768.db2.gz NUIORJFFXMYYGQ-CQSZACIVSA-N -1 0 332.183 3.212 20 30 EGEDRM Cc1c2cc(C#N)ccc2sc1C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC001605074670 972702826 /nfs/dbraw/zinc/70/28/26/972702826.db2.gz WKSHXACPNKNBAF-ZWNOBZJWSA-N -1 0 342.420 3.264 20 30 EGEDRM N#CC[C@@H](C(=O)N1CCCc2cc(C(=O)[O-])ccc21)c1ccccc1 ZINC001605581627 973860037 /nfs/dbraw/zinc/86/00/37/973860037.db2.gz FMWMVSIILANYKU-QGZVFWFLSA-N -1 0 334.375 3.361 20 30 EGEDRM N#Cc1c(NC(=O)/C=C/c2ccc(C(=O)[O-])o2)sc2c1CCC2 ZINC001605590980 973886028 /nfs/dbraw/zinc/88/60/28/973886028.db2.gz RGJLHKXBVCECLE-FNORWQNLSA-N -1 0 328.349 3.052 20 30 EGEDRM CN(C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl)[C@H]1CCC[C@@H]1C#N ZINC001604034813 974557107 /nfs/dbraw/zinc/55/71/07/974557107.db2.gz DHRYHEHHEDEEAG-KCJUWKMLSA-N -1 0 339.754 3.333 20 30 EGEDRM C[C@H](CC(=O)[O-])Sc1nc2c(c(C#N)c1C#N)CCCCCC2 ZINC001592424256 978044692 /nfs/dbraw/zinc/04/46/92/978044692.db2.gz OJTGBYWPEKXQRG-LLVKDONJSA-N -1 0 329.425 3.439 20 30 EGEDRM CCOc1c(Cl)cc(CN=Nc2ccc(C(=O)[O-])cn2)cc1OC ZINC000763377502 978723130 /nfs/dbraw/zinc/72/31/30/978723130.db2.gz QJPXSPWCWCVNAQ-UHFFFAOYSA-N -1 0 349.774 3.287 20 30 EGEDRM CC(C[C@H](C)NC(=O)OC(C)(C)C)N=Nc1cccc(C(=O)[O-])c1 ZINC000769566930 978742462 /nfs/dbraw/zinc/74/24/62/978742462.db2.gz MRUILHQYKBUZPD-NSHDSACASA-N -1 0 335.404 3.476 20 30 EGEDRM CC(N=Nc1cccc(C(=O)[O-])c1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000794452252 978812862 /nfs/dbraw/zinc/81/28/62/978812862.db2.gz ULRPGTJMTGWUSD-UHFFFAOYSA-N -1 0 333.388 3.040 20 30 EGEDRM CC(=NNC(=S)Nc1ccc(C)cc1)c1cc(C(=O)[O-])cs1 ZINC000814713953 978875323 /nfs/dbraw/zinc/87/53/23/978875323.db2.gz LNCDINLKXOWILQ-UHFFFAOYSA-N -1 0 333.438 3.465 20 30 EGEDRM Cc1ccc(C)c(NC(=S)NN=C2CC[C@@H](CC(=O)[O-])[C@@H]2C)c1 ZINC000814707742 978875330 /nfs/dbraw/zinc/87/53/30/978875330.db2.gz VEAMUGCVFFLPHS-STQMWFEESA-N -1 0 333.457 3.467 20 30 EGEDRM O=C([O-])c1ccc(NN=Cc2cnc([C@H]3CCCO3)s2)cc1F ZINC000835009832 979244648 /nfs/dbraw/zinc/24/46/48/979244648.db2.gz DXCCFFUJVCYIFO-CYBMUJFWSA-N -1 0 335.360 3.278 20 30 EGEDRM COc1cc2c(cc1C=NNc1ccc(CC(=O)[O-])cc1)O[C@H](C)C2 ZINC000848416091 979468067 /nfs/dbraw/zinc/46/80/67/979468067.db2.gz YPBBOOICYGWURS-GFCCVEGCSA-N -1 0 340.379 3.092 20 30 EGEDRM C[C@@H](CSc1c(C#N)cnc2c(F)c(F)c(F)cc21)C(=O)[O-] ZINC001592830412 979554690 /nfs/dbraw/zinc/55/46/90/979554690.db2.gz RPNFQJIOCQOVHK-LURJTMIESA-N -1 0 326.299 3.337 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)[C@H](C)Sc1ccc(Cl)cc1)C(=O)[O-] ZINC000864188608 979837276 /nfs/dbraw/zinc/83/72/76/979837276.db2.gz UGIONMDSLVWWQM-GXFFZTMASA-N -1 0 327.833 3.356 20 30 EGEDRM C=C(C)C[C@H](NC(=O)/C=C(/C)c1ccccc1OC(F)F)C(=O)[O-] ZINC000864188898 979838790 /nfs/dbraw/zinc/83/87/90/979838790.db2.gz XIYRRWDNSAJXOW-FUWURINLSA-N -1 0 339.338 3.227 20 30 EGEDRM C=CCCC[C@H](C(=O)NCC1(C(=O)[O-])CCOCC1)c1ccccc1 ZINC000901702688 980457270 /nfs/dbraw/zinc/45/72/70/980457270.db2.gz IBGQTCZXJPBISZ-KRWDZBQOSA-N -1 0 345.439 3.124 20 30 EGEDRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1ccc(C#N)s1 ZINC001595360718 980754795 /nfs/dbraw/zinc/75/47/95/980754795.db2.gz NCWQXMOVVAIZNJ-CQSZACIVSA-N -1 0 328.393 3.298 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)c1ccc(OC(F)F)c(Cl)c1)C(=O)[O-] ZINC000910294660 981848116 /nfs/dbraw/zinc/84/81/16/981848116.db2.gz RIRGCQZOEUPQEA-SNVBAGLBSA-N -1 0 333.718 3.091 20 30 EGEDRM CCCC[C@@H](NC(=O)c1c(Cl)cc(C#N)cc1Cl)C(=O)[O-] ZINC001595636365 981916383 /nfs/dbraw/zinc/91/63/83/981916383.db2.gz OKQBSUSNAUQLMT-LLVKDONJSA-N -1 0 329.183 3.238 20 30 EGEDRM CCCC[C@@H](ON=C(C)C)C(=O)Nc1nc2c(cccc2C(=O)[O-])[nH]1 ZINC001595652135 982030974 /nfs/dbraw/zinc/03/09/74/982030974.db2.gz PFHQMKIXLCHNTO-CYBMUJFWSA-N -1 0 346.387 3.171 20 30 EGEDRM CCCC[C@@H](ON=C(C)C)C(=O)NC1(C(=O)[O-])CCCCCC1 ZINC001595652970 982037655 /nfs/dbraw/zinc/03/76/55/982037655.db2.gz ZDZMVVKVUKOGBE-CQSZACIVSA-N -1 0 326.437 3.251 20 30 EGEDRM CCCC[C@@H](ON=C(C)C)C(=O)N1CCc2cccc(C(=O)[O-])c2C1 ZINC001595652905 982037679 /nfs/dbraw/zinc/03/76/79/982037679.db2.gz YWXNZJKHLKMQAK-QGZVFWFLSA-N -1 0 346.427 3.241 20 30 EGEDRM CCCC[C@H](ON=C(C)C)C(=O)N1CCc2cccc(C(=O)[O-])c2C1 ZINC001595652904 982038117 /nfs/dbraw/zinc/03/81/17/982038117.db2.gz YWXNZJKHLKMQAK-KRWDZBQOSA-N -1 0 346.427 3.241 20 30 EGEDRM C=C(C)[C@@H](CC(=O)Nc1nc(C(=O)[O-])c(C(C)C)s1)OCC ZINC000910704152 982073860 /nfs/dbraw/zinc/07/38/60/982073860.db2.gz WBROEYCIHZGALA-SNVBAGLBSA-N -1 0 326.418 3.275 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1cnn(CC(C)C)c1C(F)F)C(=O)[O-] ZINC000910911777 982160818 /nfs/dbraw/zinc/16/08/18/982160818.db2.gz ICRAJQMPNBGBFA-GFCCVEGCSA-N -1 0 343.374 3.016 20 30 EGEDRM C=CCCC[C@H](NC(=O)CCCc1c[nH]c2ccccc12)C(=O)[O-] ZINC000910918694 982164036 /nfs/dbraw/zinc/16/40/36/982164036.db2.gz NZQINMFELQXYPT-KRWDZBQOSA-N -1 0 328.412 3.416 20 30 EGEDRM CCCCCCCNS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC001595704288 982273587 /nfs/dbraw/zinc/27/35/87/982273587.db2.gz CRPXRMVIXVJVRT-FMIVXFBMSA-N -1 0 325.430 3.033 20 30 EGEDRM CC[C@@H](C)C[C@@H](NC(=O)C1(c2ccc(C#N)cc2)CCCC1)C(=O)[O-] ZINC001594936313 982593697 /nfs/dbraw/zinc/59/36/97/982593697.db2.gz JTMMIGXCWZIIDK-RHSMWYFYSA-N -1 0 342.439 3.376 20 30 EGEDRM Cc1c(NC(=O)C2(C#N)CCC2)cc(Br)cc1C(=O)[O-] ZINC000923098604 982722476 /nfs/dbraw/zinc/72/24/76/982722476.db2.gz XIYHEMUUBLBMQR-UHFFFAOYSA-N -1 0 337.173 3.088 20 30 EGEDRM CCCOC(=O)c1ccc(NCc2cccc(C(=O)[O-])c2C#N)cc1 ZINC001595942391 983098374 /nfs/dbraw/zinc/09/83/74/983098374.db2.gz UGRHBSGIBGZBFR-UHFFFAOYSA-N -1 0 338.363 3.435 20 30 EGEDRM C#C[C@@H](NC(=O)c1ccc(/C=C\C(=O)[O-])o1)c1ccc(Cl)cc1F ZINC001588377491 983357244 /nfs/dbraw/zinc/35/72/44/983357244.db2.gz MWEVYRGQVUNVFH-BMWLXYDHSA-N -1 0 347.729 3.274 20 30 EGEDRM C#CC[C@@H](CCOC)NC(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001588393458 983398242 /nfs/dbraw/zinc/39/82/42/983398242.db2.gz FWUXBCMEJLWHEQ-ZDUSSCGKSA-N -1 0 340.379 3.088 20 30 EGEDRM C#CC[C@H](NC(=O)NCCCCC1(C(=O)[O-])CCC1)c1ccccc1 ZINC001588407511 983428423 /nfs/dbraw/zinc/42/84/23/983428423.db2.gz JFFMOHCYRPQTNO-KRWDZBQOSA-N -1 0 342.439 3.475 20 30 EGEDRM C#CCC1(C(=O)Nc2cc(CCC(=O)[O-])ccc2O)CCCCC1 ZINC001588428670 983462939 /nfs/dbraw/zinc/46/29/39/983462939.db2.gz XFMUHRDJYQUJKS-UHFFFAOYSA-N -1 0 329.396 3.322 20 30 EGEDRM CCN(C(=O)c1cc(C(=O)[O-])oc1C)[C@H](C)c1ccc(C#N)cc1 ZINC001596160407 983523518 /nfs/dbraw/zinc/52/35/18/983523518.db2.gz AYHLWHPDQASINA-LLVKDONJSA-N -1 0 326.352 3.381 20 30 EGEDRM C#Cc1cccc(NC(=O)NC[C@](CC)(C(=O)[O-])c2ccccc2)c1 ZINC001588524207 983574075 /nfs/dbraw/zinc/57/40/75/983574075.db2.gz BZBZUXMRNWQVQN-FQEVSTJZSA-N -1 0 336.391 3.222 20 30 EGEDRM C=C(Br)CNc1cc(C(F)(F)F)c(C(=O)[O-])cn1 ZINC001588529343 983581110 /nfs/dbraw/zinc/58/11/10/983581110.db2.gz VTZKDOPCZUBVCD-UHFFFAOYSA-N -1 0 325.084 3.119 20 30 EGEDRM C=C(C)C[C@H](NC(=O)c1ccc(-c2csc(C)n2)s1)C(=O)[O-] ZINC001588546592 983616202 /nfs/dbraw/zinc/61/62/02/983616202.db2.gz NVQSIMDVLUWFNJ-JTQLQIEISA-N -1 0 336.438 3.329 20 30 EGEDRM C=C(C)CN(Cc1ccccc1)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001588568016 983649043 /nfs/dbraw/zinc/64/90/43/983649043.db2.gz ZPPADKQLUBBAME-UHFFFAOYSA-N -1 0 327.384 3.334 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N1CCC(c2nc3c(s2)CCCC3)CC1 ZINC001588614105 983706620 /nfs/dbraw/zinc/70/66/20/983706620.db2.gz MCTQMHYSOHSYET-UHFFFAOYSA-N -1 0 348.468 3.149 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)NCCOc1ccccc1-c1ccccc1 ZINC001588624589 983733182 /nfs/dbraw/zinc/73/31/82/983733182.db2.gz OUAHPBONSRBHPH-UHFFFAOYSA-N -1 0 339.391 3.270 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)NCc1ccnc(OC2CCC(C)CC2)c1 ZINC001588629678 983738538 /nfs/dbraw/zinc/73/85/38/983738538.db2.gz ICRPGFVEZUQMGE-UHFFFAOYSA-N -1 0 346.427 3.076 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)NCc1ccc(-c2csc(C)n2)s1 ZINC001588630287 983742823 /nfs/dbraw/zinc/74/28/23/983742823.db2.gz WIUFRTWMJVPRPG-UHFFFAOYSA-N -1 0 336.438 3.217 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1nn(-c2ccc(Cl)cc2)cc1C ZINC001588633560 983749937 /nfs/dbraw/zinc/74/99/37/983749937.db2.gz OJZPUQIXKDNOCG-UHFFFAOYSA-N -1 0 333.775 3.194 20 30 EGEDRM C=CC(C)(C)CCCNC(=O)c1cc(C(=O)[O-])nn1-c1ccccc1 ZINC001588673221 983829143 /nfs/dbraw/zinc/82/91/43/983829143.db2.gz MZHDMJPVUQNHBZ-UHFFFAOYSA-N -1 0 341.411 3.293 20 30 EGEDRM C=C[C@@H](C)ONC(=O)Nc1nc(-c2ccccc2)c(CC(=O)[O-])s1 ZINC001588687805 983871988 /nfs/dbraw/zinc/87/19/88/983871988.db2.gz SLNKDNRLHOALQR-SNVBAGLBSA-N -1 0 347.396 3.065 20 30 EGEDRM C=C[C@H](Sc1nnc(-c2ccc(N(CC)CC)cc2)o1)C(=O)[O-] ZINC001588715463 983955885 /nfs/dbraw/zinc/95/58/85/983955885.db2.gz XORCLIWSQPBWIE-ZDUSSCGKSA-N -1 0 333.413 3.314 20 30 EGEDRM C=CC[C@@H](C(=O)OCC(=O)c1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC001588731591 984008869 /nfs/dbraw/zinc/00/88/69/984008869.db2.gz KXIIBGGXFLDGOK-QGZVFWFLSA-N -1 0 338.359 3.471 20 30 EGEDRM C=CCC1(C(=O)N[C@H]2CCCn3nc(C(=O)[O-])cc32)CCCCC1 ZINC001588762977 984117913 /nfs/dbraw/zinc/11/79/13/984117913.db2.gz PARAAUZWSDWTHD-ZDUSSCGKSA-N -1 0 331.416 3.059 20 30 EGEDRM C=CC[C@H]1N(S(=O)(=O)c2cccc(C(=O)[O-])c2)CCCC1(C)C ZINC001588773589 984148409 /nfs/dbraw/zinc/14/84/09/984148409.db2.gz APRIWSIFYKEJER-OAHLLOKOSA-N -1 0 337.441 3.140 20 30 EGEDRM C=CC[C@@H]1N(C(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)CCCC1(C)C ZINC001588773745 984149165 /nfs/dbraw/zinc/14/91/65/984149165.db2.gz HYEPLTKOFZGRFD-AWEZNQCLSA-N -1 0 348.447 3.301 20 30 EGEDRM C=CCC[C@H](C(=O)N1CCSC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC001588777251 984155944 /nfs/dbraw/zinc/15/59/44/984155944.db2.gz YFCJIHAMBRIIEI-HOTGVXAUSA-N -1 0 333.453 3.013 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1ccc(-n2nc(C)cc2C)cc1)C(=O)[O-] ZINC001588792461 984209281 /nfs/dbraw/zinc/20/92/81/984209281.db2.gz HUAVMDQXQHXCRB-KRWDZBQOSA-N -1 0 341.411 3.028 20 30 EGEDRM C=CCCCCNS(=O)(=O)c1ccc(C(=O)[O-])c2ccccc21 ZINC001588802134 984248226 /nfs/dbraw/zinc/24/82/26/984248226.db2.gz CZLPUCAZUGQRLK-UHFFFAOYSA-N -1 0 333.409 3.173 20 30 EGEDRM C=CCCN(OCc1ccccc1)C(=O)c1oc(C(=O)[O-])cc1C ZINC001588807248 984258710 /nfs/dbraw/zinc/25/87/10/984258710.db2.gz DNIZKLKVTXOPBJ-UHFFFAOYSA-N -1 0 329.352 3.436 20 30 EGEDRM C=CCN(Cc1cccs1)C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC001588831685 984316613 /nfs/dbraw/zinc/31/66/13/984316613.db2.gz JFQZHCDXZVEMID-UHFFFAOYSA-N -1 0 344.436 3.387 20 30 EGEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001588832381 984322221 /nfs/dbraw/zinc/32/22/21/984322221.db2.gz GWVRBBQFXJYDJY-CVEARBPZSA-N -1 0 346.427 3.036 20 30 EGEDRM C=CCN(Cc1ccc(OC)cc1)Cn1nc(C(=O)[O-])c(Cl)c1C ZINC001588832831 984326647 /nfs/dbraw/zinc/32/66/47/984326647.db2.gz SEKZQGFVRMLORQ-UHFFFAOYSA-N -1 0 349.818 3.197 20 30 EGEDRM C=CCN1C(=O)N[C@@H](c2ccc3nc(C)sc3c2)C(C(=O)[O-])=C1C ZINC001588837273 984333596 /nfs/dbraw/zinc/33/35/96/984333596.db2.gz XDALYKAORLRNLO-HNNXBMFYSA-N -1 0 343.408 3.216 20 30 EGEDRM C=CCOc1ccc(CC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC001588875030 984450646 /nfs/dbraw/zinc/45/06/46/984450646.db2.gz RCICMKUKPXTKAL-UHFFFAOYSA-N -1 0 339.391 3.151 20 30 EGEDRM C=CCn1c(C)nnc1SCc1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001588896075 984498442 /nfs/dbraw/zinc/49/84/42/984498442.db2.gz FOGVOGISXKFWJO-UHFFFAOYSA-N -1 0 329.425 3.181 20 30 EGEDRM C=CCn1c([C@@H](C)C(C)C)nnc1N1CCC(CCC(=O)[O-])CC1 ZINC001588896848 984505165 /nfs/dbraw/zinc/50/51/65/984505165.db2.gz UWMWZZAMWPGVEW-AWEZNQCLSA-N -1 0 334.464 3.305 20 30 EGEDRM C=CCn1c(C2CCC2)nnc1N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001588898082 984515825 /nfs/dbraw/zinc/51/58/25/984515825.db2.gz YZLRJKGUNHJQIQ-AWEZNQCLSA-N -1 0 332.448 3.059 20 30 EGEDRM C=CCn1c(S[C@@H](C(=O)[O-])C(C)(C)C)nc2ccccc2c1=O ZINC001588905068 984535016 /nfs/dbraw/zinc/53/50/16/984535016.db2.gz ORQYRWGIFIMTIK-ZDUSSCGKSA-N -1 0 332.425 3.174 20 30 EGEDRM C=CCn1cc2ccc(NC(=O)c3c(C)[nH]c(C(=O)[O-])c3C)cc2n1 ZINC001588909109 984542444 /nfs/dbraw/zinc/54/24/44/984542444.db2.gz JVSYEQHSRVUGJD-UHFFFAOYSA-N -1 0 338.367 3.118 20 30 EGEDRM C=CCn1nnnc1S[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC001588912916 984553384 /nfs/dbraw/zinc/55/33/84/984553384.db2.gz SIRUAPDAQOZQKG-JTQLQIEISA-N -1 0 345.211 3.084 20 30 EGEDRM CC(N=Nc1cccc(F)c1C(=O)[O-])c1ccc2c(c1)CCC(=O)N2 ZINC001589017675 985006368 /nfs/dbraw/zinc/00/63/68/985006368.db2.gz ZCNALCJZRLQENS-UHFFFAOYSA-N -1 0 341.342 3.245 20 30 EGEDRM CCO[C@H]1C[C@@H]1C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC001596847554 985559725 /nfs/dbraw/zinc/55/97/25/985559725.db2.gz WQAJPYQFTQOXJZ-OALUTQOASA-N -1 0 349.386 3.148 20 30 EGEDRM CC(=O)Nc1ccc(OCc2cccc(C(=O)[O-])c2C#N)c(F)c1F ZINC001589199942 985642954 /nfs/dbraw/zinc/64/29/54/985642954.db2.gz NETMABLAFLBRRX-UHFFFAOYSA-N -1 0 346.289 3.072 20 30 EGEDRM Cc1[nH]c2ccccc2c1CC(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC001599965735 985902009 /nfs/dbraw/zinc/90/20/09/985902009.db2.gz VKVZRRVCTTZQAU-UHFFFAOYSA-N -1 0 348.358 3.332 20 30 EGEDRM CC(=O)c1ccc(C#N)cc1N1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC001589273848 985978133 /nfs/dbraw/zinc/97/81/33/985978133.db2.gz SHCOPROHTIWYIZ-UHFFFAOYSA-N -1 0 338.338 3.161 20 30 EGEDRM CCOc1cc(CON=Cc2ccc(C(=O)[O-])cc2)ccc1[N+](=O)[O-] ZINC001597038144 986484071 /nfs/dbraw/zinc/48/40/71/986484071.db2.gz GSGIPZOVPXADSO-UHFFFAOYSA-N -1 0 344.323 3.242 20 30 EGEDRM C[C@@H]1CO[C@@H](C(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)C1 ZINC001594587759 986487211 /nfs/dbraw/zinc/48/72/11/986487211.db2.gz RJMVHCYKFKFDRM-IFXJQAMLSA-N -1 0 349.386 3.148 20 30 EGEDRM C[C@H](C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(F)cc1F ZINC001589540075 987239231 /nfs/dbraw/zinc/23/92/31/987239231.db2.gz HOUIQFOINJHHOS-MGPLVRAMSA-N -1 0 345.301 3.309 20 30 EGEDRM CC(C)(C#N)CCCOc1ccc(Br)nc1C(=O)[O-] ZINC001589554792 987303042 /nfs/dbraw/zinc/30/30/42/987303042.db2.gz NUNMWBCYORIJOG-UHFFFAOYSA-N -1 0 327.178 3.251 20 30 EGEDRM CC(C)(C#N)CCS(=O)(=O)c1cc2ccccc2cc1C(=O)[O-] ZINC001589554930 987305061 /nfs/dbraw/zinc/30/50/61/987305061.db2.gz WWEIXTIEHIKJPS-UHFFFAOYSA-N -1 0 331.393 3.252 20 30 EGEDRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)C[C@@H](CC#N)c2ccccc2)C1 ZINC001589605154 987448522 /nfs/dbraw/zinc/44/85/22/987448522.db2.gz GBRDLVRNZNKREM-IAGOWNOFSA-N -1 0 342.439 3.423 20 30 EGEDRM CCc1cc(C#N)ccc1OC(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC001597424197 987747217 /nfs/dbraw/zinc/74/72/17/987747217.db2.gz MROIFJXRWWNGNG-UHFFFAOYSA-N -1 0 348.358 3.379 20 30 EGEDRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC001589700701 987792885 /nfs/dbraw/zinc/79/28/85/987792885.db2.gz OUOWAANRXWEBMQ-CYBMUJFWSA-N -1 0 341.329 3.063 20 30 EGEDRM CCc1ccc(NCc2nnc(-c3ccc(C#N)cc3)o2)c(C(=O)[O-])c1 ZINC001597551525 988276294 /nfs/dbraw/zinc/27/62/94/988276294.db2.gz JSGWWRDSVLGJOP-UHFFFAOYSA-N -1 0 348.362 3.481 20 30 EGEDRM C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)/C=C\c1ccccc1C#N ZINC001599831721 988685382 /nfs/dbraw/zinc/68/53/82/988685382.db2.gz OCEJHZDTLZCYQG-SSCKCOOKSA-N -1 0 334.375 3.073 20 30 EGEDRM C[C@@H]1CN(c2c(C#N)cnc3c(F)c(F)c(F)cc32)C[C@H]1CC(=O)[O-] ZINC001599868141 989305215 /nfs/dbraw/zinc/30/52/15/989305215.db2.gz DLFCKLDUWGUFHE-RKDXNWHRSA-N -1 0 349.312 3.071 20 30 EGEDRM CC(C)(C)c1ccc([C@@H](O)CNc2ccc(C(=O)[O-])nc2C#N)cc1 ZINC001590479512 990052709 /nfs/dbraw/zinc/05/27/09/990052709.db2.gz DAFYXKVQKPKKIP-KRWDZBQOSA-N -1 0 339.395 3.094 20 30 EGEDRM CN(C(=O)Nc1cccc(SCCC(=O)[O-])c1)[C@@H]1CCC[C@@H]1C#N ZINC001598061695 990334887 /nfs/dbraw/zinc/33/48/87/990334887.db2.gz MLYRAFYGMFRUNM-IUODEOHRSA-N -1 0 347.440 3.409 20 30 EGEDRM CN(CC#Cc1ccccc1)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001598375675 991561247 /nfs/dbraw/zinc/56/12/47/991561247.db2.gz BMEXILJNWWPTPB-QGZVFWFLSA-N -1 0 333.309 3.213 20 30 EGEDRM CN(CCC#N)c1ccc(CNc2cnc(C(=O)[O-])c(Cl)c2)cc1 ZINC001598469180 991997508 /nfs/dbraw/zinc/99/75/08/991997508.db2.gz UNWZJIWFGIZBLA-UHFFFAOYSA-N -1 0 344.802 3.395 20 30 EGEDRM CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1cccc(CC(=O)[O-])c1 ZINC001591596422 992821806 /nfs/dbraw/zinc/82/18/06/992821806.db2.gz CDXLYFXIRNCEQF-UHFFFAOYSA-N -1 0 336.391 3.236 20 30 EGEDRM COc1cccc(C(=O)[O-])c1OC(=O)c1cc(C)c(C#N)c(C)c1 ZINC001599644021 994398787 /nfs/dbraw/zinc/39/87/87/994398787.db2.gz SDVXLETZDNZPOT-UHFFFAOYSA-N -1 0 325.320 3.101 20 30 EGEDRM COC(=O)[C@H](C)n1cccc1C=NNc1ccc(C(=O)[O-])c(Cl)c1 ZINC001598692083 995081112 /nfs/dbraw/zinc/08/11/12/995081112.db2.gz NUABXMINIUAVFG-JTQLQIEISA-N -1 0 349.774 3.020 20 30 EGEDRM C[C@@H](Sc1nc2c(cc1C#N)CCCC2)c1nc(C(=O)[O-])co1 ZINC001593678779 996095342 /nfs/dbraw/zinc/09/53/42/996095342.db2.gz AARWYWSLVBAYGG-SECBINFHSA-N -1 0 329.381 3.372 20 30 EGEDRM C[C@]1(C#N)CCN(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)C1 ZINC001593743352 996367164 /nfs/dbraw/zinc/36/71/64/996367164.db2.gz VCUBONUPJCZGBE-QGZVFWFLSA-N -1 0 347.440 3.162 20 30 EGEDRM COC[C@H](NCc1cccc(C(=O)[O-])c1C#N)c1ccc(Cl)cc1 ZINC001599176923 996865459 /nfs/dbraw/zinc/86/54/59/996865459.db2.gz SOIWGCOZVUVXJC-KRWDZBQOSA-N -1 0 344.798 3.387 20 30 EGEDRM COC(=O)c1cc(Cl)ccc1C(=O)/C=C\c1c[nH]c(C(=O)[O-])c1 ZINC001598935813 997862911 /nfs/dbraw/zinc/86/29/11/997862911.db2.gz MXOVPZMTSKDPCF-DJWKRKHSSA-N -1 0 333.727 3.049 20 30 EGEDRM C[C@H]1CC[C@@](NC(=O)Cc2cccc(C#N)c2)(C(=O)[O-])c2ccccc21 ZINC001594312693 999200668 /nfs/dbraw/zinc/20/06/68/999200668.db2.gz CRRNTKHUJONNQJ-QKKBWIMNSA-N -1 0 348.402 3.094 20 30 EGEDRM C[C@@H]1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)[C@@H](C(=O)[O-])C1 ZINC001594423444 999580804 /nfs/dbraw/zinc/58/08/04/999580804.db2.gz RSLLKSKWSRCHQV-IUODEOHRSA-N -1 0 341.329 3.122 20 30 EGEDRM C[C@@H]1CCc2c(sc(NC(=O)CSCCC#N)c2C(=O)[O-])C1 ZINC001594443930 999632118 /nfs/dbraw/zinc/63/21/18/999632118.db2.gz KLBSEHSEFJPALL-SECBINFHSA-N -1 0 338.454 3.156 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)N2CCC[C@H]2c2cccs2)cc1C#N ZINC000027610062 202157086 /nfs/dbraw/zinc/15/70/86/202157086.db2.gz JOLWQYNWPJWDKF-LBPRGKRZSA-N -1 0 345.449 3.420 20 30 EGEDRM COc1ccc(-n2ccc(C([O-])=C(C#N)c3nc(C)cs3)n2)cc1 ZINC000066504244 201157780 /nfs/dbraw/zinc/15/77/80/201157780.db2.gz RIIXMCWZBHQCCT-CQSZACIVSA-N -1 0 338.392 3.136 20 30 EGEDRM C=CCC(CC=C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000262185433 201201156 /nfs/dbraw/zinc/20/11/56/201201156.db2.gz QMPJAZMNJOBNRF-KRWDZBQOSA-N -1 0 326.396 3.048 20 30 EGEDRM C=C[C@@H](CC(=O)N1CC[C@](C(=O)[O-])(C(F)(F)F)C1)c1ccccc1 ZINC000263165171 201207879 /nfs/dbraw/zinc/20/78/79/201207879.db2.gz YGCIMHLJPNPIDF-LRDDRELGSA-N -1 0 341.329 3.212 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2F)cc1F ZINC000357460723 241860849 /nfs/dbraw/zinc/86/08/49/241860849.db2.gz BHRBLVKDFPXSDO-UHFFFAOYSA-N -1 0 328.727 3.291 20 30 EGEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1sc2ccccc2c1Cl ZINC000103502696 204082462 /nfs/dbraw/zinc/08/24/62/204082462.db2.gz HXSBGWZNTJZULS-LLVKDONJSA-N -1 0 332.812 3.500 20 30 EGEDRM C=CCCC(=O)N[C@@H](CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000238204553 204903473 /nfs/dbraw/zinc/90/34/73/204903473.db2.gz JAMKXZPTGWANQD-LBPRGKRZSA-N -1 0 331.290 3.183 20 30 EGEDRM CC[C@@H]1CCc2nc(NC(=O)c3ccc(C#N)c([O-])c3)sc2C1 ZINC000442729505 269676946 /nfs/dbraw/zinc/67/69/46/269676946.db2.gz AGAWFXDSJUCISD-SNVBAGLBSA-N -1 0 327.409 3.488 20 30 EGEDRM N#Cc1cccc(S(=O)(=O)[N-]c2ccccc2OC(F)(F)F)c1 ZINC000012535934 207166643 /nfs/dbraw/zinc/16/66/43/207166643.db2.gz ISQAIZYIPFBZOC-UHFFFAOYSA-N -1 0 342.298 3.258 20 30 EGEDRM COc1ccc(OC)c(C(=O)[N-]S(=O)(=O)C=Cc2ccccc2)c1 ZINC000040153191 258059690 /nfs/dbraw/zinc/05/96/90/258059690.db2.gz QVWQRGRHJCAHME-ZHACJKMWSA-N -1 0 347.392 3.009 20 30 EGEDRM N#Cc1ccc(CN=c2[n-]nc(CCCc3cccs3)o2)c(F)c1 ZINC000347903281 141213168 /nfs/dbraw/zinc/21/31/68/141213168.db2.gz XRIWCORCTYTSCF-UHFFFAOYSA-N -1 0 342.399 3.351 20 30 EGEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(SC)cc1 ZINC000064477140 161565080 /nfs/dbraw/zinc/56/50/80/161565080.db2.gz RYOFPWNFJYNQAV-UHFFFAOYSA-N -1 0 348.449 3.480 20 30 EGEDRM COc1cc(CN=c2[n-]nc(-c3ccc4c(c3)CCC4)o2)ccc1C#N ZINC000340563646 163608492 /nfs/dbraw/zinc/60/84/92/163608492.db2.gz WEBWSKZPLYLSOT-UHFFFAOYSA-N -1 0 346.390 3.140 20 30 EGEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1cc(F)c(Cl)cc1Cl ZINC000359720737 167214186 /nfs/dbraw/zinc/21/41/86/167214186.db2.gz WSIJLWNJOGLIEP-UHFFFAOYSA-N -1 0 339.157 3.279 20 30 EGEDRM CC(C)Sc1ccccc1C(=O)N=c1[nH][n-]c(C2CC2)c1C#N ZINC000359727857 167216195 /nfs/dbraw/zinc/21/61/95/167216195.db2.gz URYQPYIPPBEQOC-UHFFFAOYSA-N -1 0 326.425 3.333 20 30 EGEDRM CCCn1c(C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)cc2ccccc21 ZINC000359728497 167216413 /nfs/dbraw/zinc/21/64/13/167216413.db2.gz XJEHBKWUIPEVFP-UHFFFAOYSA-N -1 0 333.395 3.198 20 30 EGEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(C(F)(F)F)nc1 ZINC000090166804 264937067 /nfs/dbraw/zinc/93/70/67/264937067.db2.gz OXATYCWSMRZASN-UHFFFAOYSA-N -1 0 341.314 3.081 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)F)cc2)s1 ZINC000435493553 270051207 /nfs/dbraw/zinc/05/12/07/270051207.db2.gz JCFWITXYEMQXNX-UHFFFAOYSA-N -1 0 344.364 3.064 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2OC(F)F)s1 ZINC000435485859 270051337 /nfs/dbraw/zinc/05/13/37/270051337.db2.gz YLVSEHWAGQADOO-UHFFFAOYSA-N -1 0 348.327 3.161 20 30 EGEDRM Cc1cccc(OC(F)F)c1[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435486910 270051361 /nfs/dbraw/zinc/05/13/61/270051361.db2.gz MDTQIOACQASZSU-UHFFFAOYSA-N -1 0 344.364 3.330 20 30 EGEDRM CC(=Cc1ccc(F)c(Br)c1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000193611306 266047055 /nfs/dbraw/zinc/04/70/55/266047055.db2.gz LGOLSWXAYKWZLJ-YVMONPNESA-N -1 0 348.175 3.412 20 30 EGEDRM CCCNc1ccc(C#N)cc1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436961642 267025028 /nfs/dbraw/zinc/02/50/28/267025028.db2.gz BXBDHWASVDPHGW-UHFFFAOYSA-N -1 0 340.339 3.246 20 30 EGEDRM CCCc1nc(C)c([N-]S(=O)(=O)c2ccc(C#N)s2)s1 ZINC000435488063 267043182 /nfs/dbraw/zinc/04/31/82/267043182.db2.gz AKLJTIVNPYZMLN-UHFFFAOYSA-N -1 0 327.456 3.138 20 30 EGEDRM CCSCc1ccccc1C(=O)N=c1[n-]n(C(C)C)cc1C#N ZINC000448192071 267180110 /nfs/dbraw/zinc/18/01/10/267180110.db2.gz UFVJGFMNIVACFC-UHFFFAOYSA-N -1 0 328.441 3.263 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2cc(C)c(N(C)C)cc2C#N)c(C)c1 ZINC000519491514 268042822 /nfs/dbraw/zinc/04/28/22/268042822.db2.gz ZBVKKSNTVNQZDQ-UHFFFAOYSA-N -1 0 343.452 3.350 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2nnc(/C=C/c3ccco3)s2)cc1[O-] ZINC000188743346 268047871 /nfs/dbraw/zinc/04/78/71/268047871.db2.gz GJQQJQPOZKKFHR-AATRIKPKSA-N -1 0 338.348 3.131 20 30 EGEDRM Cc1noc(-c2ccc(C)c(NC(=O)c3ccc(C#N)c([O-])c3)c2)n1 ZINC000527483122 268095608 /nfs/dbraw/zinc/09/56/08/268095608.db2.gz DYQAUDBHEWJTBL-UHFFFAOYSA-N -1 0 334.335 3.183 20 30 EGEDRM N#Cc1c(F)ccc(CN=c2[n-]nc(-c3ccccn3)s2)c1Cl ZINC000432752941 268161077 /nfs/dbraw/zinc/16/10/77/268161077.db2.gz RADFNNSAIWILFU-UHFFFAOYSA-N -1 0 345.790 3.298 20 30 EGEDRM N#Cc1ccc(C(=O)[O-])nc1/C=C/c1ccc(Oc2cnccn2)cc1 ZINC000437535997 268207255 /nfs/dbraw/zinc/20/72/55/268207255.db2.gz KMEKRLFUMAOKJD-XVNBXDOJSA-N -1 0 344.330 3.404 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3cnco3)cc2)c(F)c1 ZINC000523530222 268260487 /nfs/dbraw/zinc/26/04/87/268260487.db2.gz HCPRJQLPGLYMTO-UHFFFAOYSA-N -1 0 343.339 3.153 20 30 EGEDRM C[C@@H]1C[C@@H](C(=O)[O-])CN(c2c(C#N)cnc3ccc(Cl)cc32)C1 ZINC000263172971 297216405 /nfs/dbraw/zinc/21/64/05/297216405.db2.gz JMVCZIBGHVCHEL-GHMZBOCLSA-N -1 0 329.787 3.307 20 30 EGEDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2c(C#N)cnn2C2CCCC2)c1 ZINC000337763096 301558541 /nfs/dbraw/zinc/55/85/41/301558541.db2.gz LDFYIPJYQLVYPP-UHFFFAOYSA-N -1 0 344.440 3.288 20 30 EGEDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C)c1C#N ZINC000537271266 314171120 /nfs/dbraw/zinc/17/11/20/314171120.db2.gz SILOHARWEFVIBL-UHFFFAOYSA-N -1 0 345.380 3.138 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2cc(-c3cccc(Cl)c3)on2)cc1[O-] ZINC000562381875 315826282 /nfs/dbraw/zinc/82/62/82/315826282.db2.gz ALYDUNZMNGJREV-UHFFFAOYSA-N -1 0 339.738 3.246 20 30 EGEDRM CC1(C)CCCc2sc([N-]S(=O)(=O)c3cccc(C#N)c3)nc21 ZINC000570494540 317063437 /nfs/dbraw/zinc/06/34/37/317063437.db2.gz ZGEQECRVZKWGJR-UHFFFAOYSA-N -1 0 347.465 3.429 20 30 EGEDRM CC1(C)Cc2cccc([N-]S(=O)(=O)c3ccc(C#N)c(F)c3)c2O1 ZINC000572791670 317392313 /nfs/dbraw/zinc/39/23/13/317392313.db2.gz RKQMFQPVDVMOKF-UHFFFAOYSA-N -1 0 346.383 3.212 20 30 EGEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1c[nH]nc1-c1ccccc1 ZINC000179096473 323368934 /nfs/dbraw/zinc/36/89/34/323368934.db2.gz IKFHESADIMADDX-UHFFFAOYSA-N -1 0 338.392 3.058 20 30 EGEDRM N#Cc1ccc(C(=O)[O-])nc1/C=C\c1ccc([N+](=O)[O-])cc1Cl ZINC000342235300 323939287 /nfs/dbraw/zinc/93/92/87/323939287.db2.gz VDKDWWWCAJOCAF-DJWKRKHSSA-N -1 0 329.699 3.383 20 30 EGEDRM CC(C)n1cc(C#N)c([N-]S(=O)(=O)c2ccc(C3CC3)cc2)n1 ZINC000575514619 324463640 /nfs/dbraw/zinc/46/36/40/324463640.db2.gz GFLKFWCNZBZKGA-UHFFFAOYSA-N -1 0 330.413 3.014 20 30 EGEDRM CC[C@@](C)(CC(=O)[O-])C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000634856747 460561670 /nfs/dbraw/zinc/56/16/70/460561670.db2.gz ZLBMSIOKCURQGE-INIZCTEOSA-N -1 0 341.329 3.064 20 30 EGEDRM N#Cc1cccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)c1 ZINC000007057217 453025651 /nfs/dbraw/zinc/02/56/51/453025651.db2.gz HKLHGVXJAXXROT-UHFFFAOYSA-N -1 0 326.299 3.378 20 30 EGEDRM C[C@H]1CN(c2c(C#N)cnc3c(F)ccc(Cl)c32)CC[C@@H]1C(=O)[O-] ZINC000600800927 460609437 /nfs/dbraw/zinc/60/94/37/460609437.db2.gz NUSZUUVKUKVFGL-ONGXEEELSA-N -1 0 347.777 3.446 20 30 EGEDRM Cc1nc2ccc([N-]S(=O)(=O)c3ccccc3C#N)cc2s1 ZINC000016153955 453597361 /nfs/dbraw/zinc/59/73/61/453597361.db2.gz UKOPZJLUJVRHGX-UHFFFAOYSA-N -1 0 329.406 3.277 20 30 EGEDRM N#Cc1nc(NC(=O)c2cc3c(s2)-c2ccccc2CC3)[n-]c1C#N ZINC000026275899 453795885 /nfs/dbraw/zinc/79/58/85/453795885.db2.gz MSTZFMAOBFYYIV-UHFFFAOYSA-N -1 0 345.387 3.232 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)N(C)[C@@H]2CCc3ccccc32)cc1C#N ZINC000031906116 453857255 /nfs/dbraw/zinc/85/72/55/453857255.db2.gz HAQZVNVQWQXHJE-OAHLLOKOSA-N -1 0 339.420 3.140 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)N(Cc2ccccc2)C2CC2)cc1C#N ZINC000031906336 453857265 /nfs/dbraw/zinc/85/72/65/453857265.db2.gz IFHZMSVWRDHUAH-UHFFFAOYSA-N -1 0 339.420 3.186 20 30 EGEDRM C=CCN(Cc1ccc(OC)cc1)Cc1nc(=O)c2sccc2[n-]1 ZINC000054271942 453919856 /nfs/dbraw/zinc/91/98/56/453919856.db2.gz PDOAVLWLGGOEII-UHFFFAOYSA-N -1 0 341.436 3.181 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2nnn(-c3cccc(C)c3)c2C)n1 ZINC000054428387 453930525 /nfs/dbraw/zinc/93/05/25/453930525.db2.gz FSDPWZJSEFXWAH-CQSZACIVSA-N -1 0 337.408 3.139 20 30 EGEDRM O=C(C=C(C1CC1)C1CC1)[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000054429440 453930587 /nfs/dbraw/zinc/93/05/87/453930587.db2.gz VUQHTZDRZZEBNR-UHFFFAOYSA-N -1 0 349.437 3.083 20 30 EGEDRM N#CCCCOc1cccc([N-]S(=O)(=O)c2ccccc2F)c1 ZINC000054828020 453949581 /nfs/dbraw/zinc/94/95/81/453949581.db2.gz ZBWKYOVKLDARNA-UHFFFAOYSA-N -1 0 334.372 3.309 20 30 EGEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(F)ccc1C ZINC000057125665 454104115 /nfs/dbraw/zinc/10/41/15/454104115.db2.gz GGGDPMBYGHHUDD-UHFFFAOYSA-N -1 0 334.372 3.205 20 30 EGEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000057125692 454104240 /nfs/dbraw/zinc/10/42/40/454104240.db2.gz BGLHKVPKSLEBNI-UHFFFAOYSA-N -1 0 336.800 3.411 20 30 EGEDRM COc1ccc([N+](=O)[O-])cc1C([O-])=C(C#N)c1cnc2ccccc2n1 ZINC000190922682 455406875 /nfs/dbraw/zinc/40/68/75/455406875.db2.gz NWTQNAYWXUAACF-CYBMUJFWSA-N -1 0 348.318 3.037 20 30 EGEDRM O=C(C=Cc1ccccc1)[N-]S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000058150851 454166023 /nfs/dbraw/zinc/16/60/23/454166023.db2.gz IYUKLTHCDRVMCP-VQHVLOKHSA-N -1 0 336.800 3.235 20 30 EGEDRM COc1cccc(S(=O)(=O)[N-]C(=O)C=Cc2ccccc2OC)c1 ZINC000058187557 454169255 /nfs/dbraw/zinc/16/92/55/454169255.db2.gz QGLNAHDXPILTOE-ZHACJKMWSA-N -1 0 347.392 3.062 20 30 EGEDRM Cc1c(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)cnn1C ZINC000119997542 454245567 /nfs/dbraw/zinc/24/55/67/454245567.db2.gz IRJODWZFAHEHHP-SNVBAGLBSA-N -1 0 330.800 3.482 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)C=Cc2ccncc2)cc1Cl ZINC000079172018 454377475 /nfs/dbraw/zinc/37/74/75/454377475.db2.gz SPUDHVGDXUTFTC-HWKANZROSA-N -1 0 336.800 3.402 20 30 EGEDRM O=C(C=Cc1ccc(Cl)nc1)[N-]S(=O)(=O)c1cccs1 ZINC000091436893 454435469 /nfs/dbraw/zinc/43/54/69/454435469.db2.gz YHYYAQYFDBRXDB-GQCTYLIASA-N -1 0 328.802 3.155 20 30 EGEDRM N#Cc1nc(NC(=O)CCc2ccc(Cl)c(Cl)c2)[n-]c1C#N ZINC000101638787 454478894 /nfs/dbraw/zinc/47/88/94/454478894.db2.gz LQIWSHHTBJTRII-UHFFFAOYSA-N -1 0 334.166 3.031 20 30 EGEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000064479054 454485337 /nfs/dbraw/zinc/48/53/37/454485337.db2.gz QBBLVXUODMBGMW-UHFFFAOYSA-N -1 0 340.763 3.160 20 30 EGEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C)cc1Cl ZINC000064479026 454485604 /nfs/dbraw/zinc/48/56/04/454485604.db2.gz AVJRIIIVHJJQAG-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM CC(C)COCCC(=O)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000048461354 454491238 /nfs/dbraw/zinc/49/12/38/454491238.db2.gz SHLGCNIPSWTJBC-UHFFFAOYSA-N -1 0 325.839 3.109 20 30 EGEDRM Cc1cc([N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)n(CCC#N)n1 ZINC000066247940 454671755 /nfs/dbraw/zinc/67/17/55/454671755.db2.gz REVZVVNFKPXWCR-UHFFFAOYSA-N -1 0 346.456 3.140 20 30 EGEDRM O=C(Nc1n[nH]c(C(F)(F)F)n1)c1cc(F)cc(C(F)(F)F)c1 ZINC000125447945 454822912 /nfs/dbraw/zinc/82/29/12/454822912.db2.gz MLVUABGPWPQZJW-UHFFFAOYSA-N -1 0 342.174 3.234 20 30 EGEDRM CCCNc1ccc(C#N)cc1NC(=O)c1cnc2ccccc2c1O ZINC000175789466 455497183 /nfs/dbraw/zinc/49/71/83/455497183.db2.gz QOEYYSUJYRXKDK-UHFFFAOYSA-N -1 0 346.390 3.474 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])c(/C=N/[C@H]2CCCN(c3ccccc3)C2)c1 ZINC000114990676 454989927 /nfs/dbraw/zinc/98/99/27/454989927.db2.gz MSNSSSNYOWQWIJ-UZUMKDMXSA-N -1 0 325.368 3.388 20 30 EGEDRM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000170933186 455001945 /nfs/dbraw/zinc/00/19/45/455001945.db2.gz ZPOFTZQTSVYKLK-UHFFFAOYSA-N -1 0 326.299 3.085 20 30 EGEDRM Cc1cccc(-n2cc(C([O-])=C(C#N)c3nc4ccccc4o3)nn2)c1 ZINC000171330423 455062410 /nfs/dbraw/zinc/06/24/10/455062410.db2.gz AVWXBECBFVZOFN-CQSZACIVSA-N -1 0 343.346 3.207 20 30 EGEDRM COc1cc(C([O-])=C(C#N)c2nc3ccccc3o2)ccc1[N+](=O)[O-] ZINC000171330384 455062789 /nfs/dbraw/zinc/06/27/89/455062789.db2.gz IJIJHQMSDHWEIC-NSHDSACASA-N -1 0 337.291 3.235 20 30 EGEDRM CN(C)C(=O)Nc1cccc(C([O-])=C(C#N)c2nc3ccccc3o2)c1 ZINC000172545695 455161172 /nfs/dbraw/zinc/16/11/72/455161172.db2.gz KPLGGHJYIXMKHP-AWEZNQCLSA-N -1 0 348.362 3.411 20 30 EGEDRM COc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000183005095 455209024 /nfs/dbraw/zinc/20/90/24/455209024.db2.gz YENDFCWMVFXLHR-UHFFFAOYSA-N -1 0 340.763 3.160 20 30 EGEDRM CCCC[C@H](/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-])C(=O)OC ZINC000184305836 455369842 /nfs/dbraw/zinc/36/98/42/455369842.db2.gz LUWLBXBPADXSOE-AXLKIAQESA-N -1 0 328.752 3.105 20 30 EGEDRM Cc1c(C([O-])=C(C#N)c2cnc3ccccc3n2)cnn1C(C)(C)C ZINC000190906571 455402149 /nfs/dbraw/zinc/40/21/49/455402149.db2.gz NJZVDKLVXWEEEM-CYBMUJFWSA-N -1 0 333.395 3.380 20 30 EGEDRM N#CC(=C([O-])c1cc(F)cc2nccnc21)c1cnc2ccccc2n1 ZINC000190935570 455409498 /nfs/dbraw/zinc/40/94/98/455409498.db2.gz WHZXHALBLJPKJR-ZDUSSCGKSA-N -1 0 343.321 3.202 20 30 EGEDRM Cc1ccc(-c2cc(C([O-])=C(C#N)c3nc4ccccc4[nH]3)n[nH]2)o1 ZINC000194088981 455801289 /nfs/dbraw/zinc/80/12/89/455801289.db2.gz SAUFQDMLDSKLII-LLVKDONJSA-N -1 0 331.335 3.345 20 30 EGEDRM CCCC(C#N)(CCC)NS(=O)(=O)C[C@@H](OC)c1ccccc1 ZINC000295145012 455841079 /nfs/dbraw/zinc/84/10/79/455841079.db2.gz DOSIZJMRMNEVDR-MRXNPFEDSA-N -1 0 338.473 3.156 20 30 EGEDRM CCCCCCC[C@@H](C)CNC(=O)Cc1c(C)nc2cc[n-]n2c1=O ZINC000253540123 455851242 /nfs/dbraw/zinc/85/12/42/455851242.db2.gz VZBFXTSJJHRIBY-CQSZACIVSA-N -1 0 346.475 3.399 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3cccs3)c2)cn1 ZINC000195450253 455963071 /nfs/dbraw/zinc/96/30/71/455963071.db2.gz HVQCVBDVEDYLAH-UHFFFAOYSA-N -1 0 341.417 3.483 20 30 EGEDRM COc1cc(NC(=O)c2ccc(C#N)c([O-])c2)c(OC)cc1Cl ZINC000188221736 456024829 /nfs/dbraw/zinc/02/48/29/456024829.db2.gz BKDLOXXZTUEXOI-UHFFFAOYSA-N -1 0 332.743 3.187 20 30 EGEDRM CCOCCOCc1cccc(NC(=O)c2ccc(C#N)c([O-])c2)c1 ZINC000188330219 456044987 /nfs/dbraw/zinc/04/49/87/456044987.db2.gz ICJBYTJLXRZRKM-UHFFFAOYSA-N -1 0 340.379 3.069 20 30 EGEDRM CC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(C#N)c([O-])c2)c1 ZINC000188365895 456051275 /nfs/dbraw/zinc/05/12/75/456051275.db2.gz KIZNDGWCGHZTND-UHFFFAOYSA-N -1 0 329.743 3.128 20 30 EGEDRM C=CCC[C@@H](NC(=O)c1cc(C2CC2)nc2ccc(F)cc21)C(=O)[O-] ZINC000262830901 456061397 /nfs/dbraw/zinc/06/13/97/456061397.db2.gz FWIRAZVTLSXWBF-MRXNPFEDSA-N -1 0 342.370 3.401 20 30 EGEDRM C=CCC[C@@H](NC(=O)[C@H](C)Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000262922038 456068364 /nfs/dbraw/zinc/06/83/64/456068364.db2.gz ODJFRYALZNXCAF-BXUZGUMPSA-N -1 0 343.345 3.420 20 30 EGEDRM COc1cc(NC(=O)c2ccc(C#N)c([O-])c2)ccc1Br ZINC000188607651 456094976 /nfs/dbraw/zinc/09/49/76/456094976.db2.gz BGLWWEVNQITVGG-UHFFFAOYSA-N -1 0 347.168 3.287 20 30 EGEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000263486489 456156230 /nfs/dbraw/zinc/15/62/30/456156230.db2.gz MVLAGKKVSZCUHV-STQMWFEESA-N -1 0 347.440 3.267 20 30 EGEDRM C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC(C(=O)[O-])CC1 ZINC000263484593 456156305 /nfs/dbraw/zinc/15/63/05/456156305.db2.gz MDQPONKLTWBDMD-GFCCVEGCSA-N -1 0 347.440 3.267 20 30 EGEDRM C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000263493962 456158106 /nfs/dbraw/zinc/15/81/06/456158106.db2.gz PYAUJZOBQWNOHG-STQMWFEESA-N -1 0 347.440 3.409 20 30 EGEDRM CCCOc1ccc(/C=N/CCc2cn3c(n2)SCC3)c(O)c1 ZINC000274340900 456256519 /nfs/dbraw/zinc/25/65/19/456256519.db2.gz OUEZOLAQFSCJNW-WOJGMQOQSA-N -1 0 331.441 3.145 20 30 EGEDRM CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)c2cccs2)C1=O ZINC000298224722 456396942 /nfs/dbraw/zinc/39/69/42/456396942.db2.gz UEDHBGSNCCZBDF-MRXNPFEDSA-N -1 0 337.445 3.064 20 30 EGEDRM CCCOc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000303944854 456494861 /nfs/dbraw/zinc/49/48/61/456494861.db2.gz ZCHDVIXIMRJNOC-UHFFFAOYSA-N -1 0 330.409 3.456 20 30 EGEDRM CCOC(=O)c1cnc(/C=C/c2ccc(C#N)cc2F)c(C(=O)[O-])c1 ZINC000340966696 456787421 /nfs/dbraw/zinc/78/74/21/456787421.db2.gz PJXVFBYBAQRKDK-AATRIKPKSA-N -1 0 340.310 3.138 20 30 EGEDRM COc1ccc(S(=O)(=O)[N-]c2ccccc2CC#N)c(Cl)c1 ZINC000340967577 456788761 /nfs/dbraw/zinc/78/87/61/456788761.db2.gz APUFVPGJIMWZCH-UHFFFAOYSA-N -1 0 336.800 3.215 20 30 EGEDRM CCc1nc(C([O-])=C(C#N)c2nc(C)cs2)nn1-c1ccccc1 ZINC000344947406 456873590 /nfs/dbraw/zinc/87/35/90/456873590.db2.gz UKZLTWNZWPYGSD-ZDUSSCGKSA-N -1 0 337.408 3.085 20 30 EGEDRM N#C[C@H](NC(=O)c1cc(F)c(F)c([O-])c1F)c1ccc(Cl)cc1 ZINC000348869722 456884759 /nfs/dbraw/zinc/88/47/59/456884759.db2.gz OKTKKNKMDKIMKG-NSHDSACASA-N -1 0 340.688 3.458 20 30 EGEDRM CS(=O)(=O)[N-]c1ccccc1C(=O)NCC1CCC(F)(F)CC1 ZINC000330404610 457039107 /nfs/dbraw/zinc/03/91/07/457039107.db2.gz PPTGXXSRFHYZNK-UHFFFAOYSA-N -1 0 346.399 3.188 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2ccc3nnc(C(C)(C)C)n3c2)n1 ZINC000346415902 457041744 /nfs/dbraw/zinc/04/17/44/457041744.db2.gz OCTBJMSDAMGQIA-LBPRGKRZSA-N -1 0 339.424 3.282 20 30 EGEDRM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)C[C@@H]3CCOC3)c2)c1 ZINC000362745992 457074919 /nfs/dbraw/zinc/07/49/19/457074919.db2.gz FVGRCHQQPBYWMR-KRWDZBQOSA-N -1 0 349.386 3.150 20 30 EGEDRM Cc1cc(C)cc(-c2n[n-]c(=NC(=O)N[C@@H]3CCC[C@H]3C#N)s2)c1 ZINC000331726332 457240359 /nfs/dbraw/zinc/24/03/59/457240359.db2.gz MPLNRDWLOCRXTB-GXTWGEPZSA-N -1 0 341.440 3.058 20 30 EGEDRM N#Cc1cncc(S(=O)(=O)[N-]c2ccccc2-c2cccs2)c1 ZINC000357016980 457278810 /nfs/dbraw/zinc/27/88/10/457278810.db2.gz HWBQCNWAKRUVDJ-UHFFFAOYSA-N -1 0 341.417 3.483 20 30 EGEDRM C=CC[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000360474293 457313063 /nfs/dbraw/zinc/31/30/63/457313063.db2.gz ODQKGWVBWYQLLF-SSDOTTSWSA-N -1 0 339.200 3.145 20 30 EGEDRM CCCc1cc(C([O-])=C(C#N)c2nc(C(=O)OCC)cs2)ccn1 ZINC000354966263 457332642 /nfs/dbraw/zinc/33/26/42/457332642.db2.gz MLLXCDIPZFNUNE-ZDUSSCGKSA-N -1 0 343.408 3.157 20 30 EGEDRM CC(C)(C)c1nc(=NC(=O)C[C@@H](CC#N)c2ccccc2)s[n-]1 ZINC000355607307 457394218 /nfs/dbraw/zinc/39/42/18/457394218.db2.gz MZRJJPQRIIFYDO-CYBMUJFWSA-N -1 0 328.441 3.284 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2cc(C)c(N(C)C)cc2C#N)ccc1F ZINC000357462249 457544581 /nfs/dbraw/zinc/54/45/81/457544581.db2.gz BXGDBTUPEFBUDL-UHFFFAOYSA-N -1 0 347.415 3.181 20 30 EGEDRM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cc(C)c(N(C)C)cc1C#N ZINC000357478992 457554922 /nfs/dbraw/zinc/55/49/22/457554922.db2.gz NRVCRXONNMIOOA-UHFFFAOYSA-N -1 0 347.415 3.181 20 30 EGEDRM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(OCC)c1 ZINC000443416375 457761816 /nfs/dbraw/zinc/76/18/16/457761816.db2.gz JQBZQHORITUTIS-UHFFFAOYSA-N -1 0 345.424 3.190 20 30 EGEDRM N#CC(=C([O-])c1cc(F)cc([N+](=O)[O-])c1)c1cnc2ccccc2n1 ZINC000361541342 457782293 /nfs/dbraw/zinc/78/22/93/457782293.db2.gz OIGBZZWRQXBHRE-CYBMUJFWSA-N -1 0 336.282 3.167 20 30 EGEDRM C=CCCCS(=O)(=O)[N-][C@](C)(c1ccc(F)cc1)C(F)(F)F ZINC000427772662 458033776 /nfs/dbraw/zinc/03/37/76/458033776.db2.gz GEFKAPMSUNUQCQ-CYBMUJFWSA-N -1 0 339.354 3.489 20 30 EGEDRM Cc1cc(CN=c2[n-]nc(CCCc3ccccc3)o2)ccc1C#N ZINC000446945936 458248255 /nfs/dbraw/zinc/24/82/55/458248255.db2.gz LPWHKFONFOMSBN-UHFFFAOYSA-N -1 0 332.407 3.459 20 30 EGEDRM N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NCCCCCC(=O)[O-] ZINC000414608619 458324697 /nfs/dbraw/zinc/32/46/97/458324697.db2.gz KHUUZSSMFRDLDR-DLBZAZTESA-N -1 0 343.427 3.113 20 30 EGEDRM C=CC[C@H]1N(C(=O)NCc2nc(C(F)(F)F)n[nH]2)CCCC1(C)C ZINC000447833491 458351702 /nfs/dbraw/zinc/35/17/02/458351702.db2.gz ONJMZBNIRLCHHV-SNVBAGLBSA-N -1 0 345.369 3.100 20 30 EGEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1ccccc1O[C@@H](C)C(F)(F)F ZINC000416958088 458358583 /nfs/dbraw/zinc/35/85/83/458358583.db2.gz LMEFZXKBVYGATR-VHSXEESVSA-N -1 0 336.335 3.060 20 30 EGEDRM CC(C)c1nnc(Cn2[n-]c(C(C)(C)C)c(CCC#N)c2=O)s1 ZINC000418902091 458377424 /nfs/dbraw/zinc/37/74/24/458377424.db2.gz PIUVOGXQZIBLTH-UHFFFAOYSA-N -1 0 333.461 3.366 20 30 EGEDRM C=CCC[C@H](NC(=O)c1cccc2c3c([nH]c21)CCCC3)C(=O)[O-] ZINC000448991738 458418759 /nfs/dbraw/zinc/41/87/59/458418759.db2.gz JZHIGAOMLRLUCS-INIZCTEOSA-N -1 0 326.396 3.196 20 30 EGEDRM Cc1csc(S(=O)(=O)[N-]c2c(C#N)cnn2C2CCCC2)c1 ZINC000451024047 458462989 /nfs/dbraw/zinc/46/29/89/458462989.db2.gz WECHHYBJEUFCTJ-UHFFFAOYSA-N -1 0 336.442 3.041 20 30 EGEDRM Cc1[n-][nH]c(=NC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)c1C#N ZINC000431677183 458605951 /nfs/dbraw/zinc/60/59/51/458605951.db2.gz CESRKABPHWXETQ-ZJUUUORDSA-N -1 0 335.194 3.061 20 30 EGEDRM Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1ccc(CC#N)cc1 ZINC000548611477 458872443 /nfs/dbraw/zinc/87/24/43/458872443.db2.gz XJKIXDPTRCFDLU-UHFFFAOYSA-N -1 0 337.404 3.410 20 30 EGEDRM C=CC[C@H](CC)NC(=O)N=c1[n-]nc(Cc2ccc(C)cc2)s1 ZINC000466367247 458896091 /nfs/dbraw/zinc/89/60/91/458896091.db2.gz RKSVLWVPPBICGX-AWEZNQCLSA-N -1 0 330.457 3.335 20 30 EGEDRM CCC[C@H](C#N)NC(=O)c1nn(-c2cccc(C(C)C)c2)cc1[O-] ZINC000555664277 458907617 /nfs/dbraw/zinc/90/76/17/458907617.db2.gz JTEBCUCGIJNMMA-CQSZACIVSA-N -1 0 326.400 3.123 20 30 EGEDRM Cc1ccc(-c2ccc(C(=O)N3CCC[C@@H]3C(=O)[O-])cc2)c(C#N)c1 ZINC000577125150 458984461 /nfs/dbraw/zinc/98/44/61/458984461.db2.gz MTZBMHRDTBWVPN-GOSISDBHSA-N -1 0 334.375 3.223 20 30 EGEDRM C=CCN=c1[n-]nc(Sc2nc(C3CCCC3)ns2)s1 ZINC000577168705 458990827 /nfs/dbraw/zinc/99/08/27/458990827.db2.gz WKCTUSNVIFMWRD-UHFFFAOYSA-N -1 0 325.488 3.218 20 30 EGEDRM N#CCc1ccc(NC(=O)N2CCC[C@@H](CC(=O)[O-])C2)c(Cl)c1 ZINC000557169175 459054362 /nfs/dbraw/zinc/05/43/62/459054362.db2.gz ZSSXSECNEYPDRM-LBPRGKRZSA-N -1 0 335.791 3.125 20 30 EGEDRM C[C@@H](NC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1ccc(C#N)cc1 ZINC000594522945 459079657 /nfs/dbraw/zinc/07/96/57/459079657.db2.gz MOAUVXIGNJVYSW-GUYJKWIASA-N -1 0 343.427 3.054 20 30 EGEDRM C=CCONC(=O)Nc1ccc(CN(C)C(=O)OC(C)(C)C)cc1 ZINC000496204163 459107716 /nfs/dbraw/zinc/10/77/16/459107716.db2.gz DVYFNHKKARGGOV-UHFFFAOYSA-N -1 0 335.404 3.293 20 30 EGEDRM Cc1cc(C)cc([C@H](NC(=O)NCC2(C#N)CCCCC2)C(=O)[O-])c1 ZINC000594691198 459131891 /nfs/dbraw/zinc/13/18/91/459131891.db2.gz RJKYRKYHTHAITQ-INIZCTEOSA-N -1 0 343.427 3.202 20 30 EGEDRM C=CCC[C@H](NC(=O)N[C@H](C)c1ccc(OC(F)F)cc1)C(=O)[O-] ZINC000578116981 459148871 /nfs/dbraw/zinc/14/88/71/459148871.db2.gz DRZMJQIMBFQNBY-MFKMUULPSA-N -1 0 342.342 3.068 20 30 EGEDRM N#Cc1cc(-c2ccc(C(=O)N3CCC(C(=O)[O-])CC3)cc2)cs1 ZINC000594871994 459164162 /nfs/dbraw/zinc/16/41/62/459164162.db2.gz MNCJVAAAPPXWIZ-UHFFFAOYSA-N -1 0 340.404 3.224 20 30 EGEDRM CC(C)(C)OC(=O)N[C@H]1CCCC(N=Nc2ccc(C(=O)[O-])nc2)C1 ZINC000496693293 459288522 /nfs/dbraw/zinc/28/85/22/459288522.db2.gz UBXMZGLTOQIXMY-NSHDSACASA-N -1 0 348.403 3.015 20 30 EGEDRM C[C@H]1CCc2onc(C([O-])=C(C#N)c3cnc4ccccc4n3)c2C1 ZINC000560001023 459290676 /nfs/dbraw/zinc/29/06/76/459290676.db2.gz TZDNQRRRXCOROC-WCQYABFASA-N -1 0 332.363 3.233 20 30 EGEDRM C=CCOc1cccc([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c1 ZINC000523460100 459305649 /nfs/dbraw/zinc/30/56/49/459305649.db2.gz LKHCRWXEGOVPBS-UHFFFAOYSA-N -1 0 348.380 3.269 20 30 EGEDRM N#CCc1ccc(C(=O)N=c2[n-]nc(CC3CCCCC3)s2)cc1 ZINC000535453910 459355904 /nfs/dbraw/zinc/35/59/04/459355904.db2.gz LPEJTDMESGECFI-UHFFFAOYSA-N -1 0 340.452 3.401 20 30 EGEDRM N#Cc1ccc(C(=O)N=c2[n-]nc(CC3CCCCC3)s2)s1 ZINC000487319760 459528964 /nfs/dbraw/zinc/52/89/64/459528964.db2.gz MUQRQYCNPJOBKG-UHFFFAOYSA-N -1 0 332.454 3.268 20 30 EGEDRM COc1cc(C([O-])=C(C#N)c2nc(C3CC3)cs2)ccc1[N+](=O)[O-] ZINC000592398281 459592306 /nfs/dbraw/zinc/59/23/06/459592306.db2.gz BJELJQWUWJXTPB-NSHDSACASA-N -1 0 343.364 3.427 20 30 EGEDRM C=C(C)CS(=O)(=O)Nc1cc(F)c(NC(C)(C)C)cc1C(=O)[O-] ZINC000573211631 459643622 /nfs/dbraw/zinc/64/36/22/459643622.db2.gz XWRMQMWCSMBCOC-UHFFFAOYSA-N -1 0 344.408 3.052 20 30 EGEDRM CC(=O)Nc1cc(C([O-])=C(C#N)c2nc(C(C)C)cs2)ccn1 ZINC000528966869 459819705 /nfs/dbraw/zinc/81/97/05/459819705.db2.gz NUWLRDSRRCREKS-GFCCVEGCSA-N -1 0 328.397 3.110 20 30 EGEDRM COc1cc(CN=c2[n-]nc(CC3CCCCC3)o2)ccc1C#N ZINC000575863720 460020193 /nfs/dbraw/zinc/02/01/93/460020193.db2.gz IGUVZKPURIAQJO-UHFFFAOYSA-N -1 0 326.400 3.107 20 30 EGEDRM C[C@@H](NC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000593953251 460025433 /nfs/dbraw/zinc/02/54/33/460025433.db2.gz SVMBERCWESKOEM-JIMOISOXSA-N -1 0 349.818 3.469 20 30 EGEDRM CCO[C@H](C)c1ncc(C(=O)Nc2nc(C)cc(C)c2C#N)s1 ZINC000598853205 460068030 /nfs/dbraw/zinc/06/80/30/460068030.db2.gz MNHORTYSPQAJOO-LLVKDONJSA-N -1 0 330.413 3.376 20 30 EGEDRM C=CCN(Cc1ccccc1F)C(=O)N=c1nc(CCC)[n-]s1 ZINC000576624696 460179891 /nfs/dbraw/zinc/17/98/91/460179891.db2.gz DUNKQHUULRJCAE-UHFFFAOYSA-N -1 0 334.420 3.272 20 30 EGEDRM CCCSc1nc(=NC(=O)N[C@H](C)c2cccc(C#N)c2)s[n-]1 ZINC000610781255 460236187 /nfs/dbraw/zinc/23/61/87/460236187.db2.gz DLMGUWWDEZMPMO-SNVBAGLBSA-N -1 0 347.469 3.216 20 30 EGEDRM CCc1c([N-]S(=O)(=O)c2ccc(C#N)cc2C)cnn1CC(C)C ZINC000611132368 460293641 /nfs/dbraw/zinc/29/36/41/460293641.db2.gz LCKDRWFGMYCMDN-UHFFFAOYSA-N -1 0 346.456 3.082 20 30 EGEDRM C=CCCOCCCCC(=O)Nc1c(=O)[nH][n-]c1-c1ccccc1 ZINC000615280083 460302586 /nfs/dbraw/zinc/30/25/86/460302586.db2.gz AUHAAQZWPAFYGS-UHFFFAOYSA-N -1 0 329.400 3.484 20 30 EGEDRM CCOC(=O)c1cc(NC(=O)c2ccc(C#N)c([O-])c2)ccc1Cl ZINC000615468741 460333764 /nfs/dbraw/zinc/33/37/64/460333764.db2.gz ZFTJOSUABDARIA-UHFFFAOYSA-N -1 0 344.754 3.346 20 30 EGEDRM N#CCc1cccc(S(=O)(=O)[N-]c2ccccc2OCC2CC2)c1 ZINC000619462904 460362975 /nfs/dbraw/zinc/36/29/75/460362975.db2.gz AKVMKTSAWIGHJB-UHFFFAOYSA-N -1 0 342.420 3.342 20 30 EGEDRM N#Cc1cncc(S(=O)(=O)[N-]c2nc(C3CCCCC3)cs2)c1 ZINC000601959808 460961994 /nfs/dbraw/zinc/96/19/94/460961994.db2.gz MHRUWRUAVCJQLV-UHFFFAOYSA-N -1 0 348.453 3.258 20 30 EGEDRM C[C@H](C#N)CSc1ccccc1NC(=O)[C@H]1CCC[C@@H]1C(=O)[O-] ZINC000601987402 460972592 /nfs/dbraw/zinc/97/25/92/460972592.db2.gz WVCQCADFLNSSOT-AGIUHOORSA-N -1 0 332.425 3.378 20 30 EGEDRM CCc1c([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)cnn1CC(C)C ZINC000618089713 461084193 /nfs/dbraw/zinc/08/41/93/461084193.db2.gz XPKVWEZGPAQGHU-UHFFFAOYSA-N -1 0 346.456 3.082 20 30 EGEDRM C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000646173376 461115920 /nfs/dbraw/zinc/11/59/20/461115920.db2.gz ACMOMBFISSJIFL-MNOVXSKESA-N -1 0 342.848 3.352 20 30 EGEDRM C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(C)[C@@H](CC)C(=O)[O-] ZINC000653336564 461637538 /nfs/dbraw/zinc/63/75/38/461637538.db2.gz HLGVDRDNNYLGBH-LBPRGKRZSA-N -1 0 345.317 3.205 20 30 EGEDRM N#CC(=C([O-])c1cc2n(n1)CCC2)c1nc2cc(F)ccc2s1 ZINC000651639349 462284343 /nfs/dbraw/zinc/28/43/43/462284343.db2.gz BXKKLOZORVOSOV-LLVKDONJSA-N -1 0 326.356 3.068 20 30 EGEDRM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2nn(C(C)C)cc2C#N)c1C ZINC000160661107 534065241 /nfs/dbraw/zinc/06/52/41/534065241.db2.gz VFORAXVAZFOSLP-UHFFFAOYSA-N -1 0 346.456 3.370 20 30 EGEDRM Cc1nn2cccnc2c1C([O-])=C(C#N)c1nc(C(C)C)cs1 ZINC000080457054 546598558 /nfs/dbraw/zinc/59/85/58/546598558.db2.gz PVTQWDRAIPALLJ-NSHDSACASA-N -1 0 325.397 3.108 20 30 EGEDRM N#C[C@H](C(=O)c1cccc2[nH]c(=O)oc21)c1ccc(C(F)(F)F)cn1 ZINC000152077955 546865337 /nfs/dbraw/zinc/86/53/37/546865337.db2.gz RWBZJQOIMOTEPC-JTQLQIEISA-N -1 0 347.252 3.025 20 30 EGEDRM C=CCOc1ccc(C(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC000193091612 547210422 /nfs/dbraw/zinc/21/04/22/547210422.db2.gz RMDJQFWXUJOTCN-HXUWFJFHSA-N -1 0 339.391 3.024 20 30 EGEDRM N#Cc1ccc(C(=O)CNC(=O)c2ccc(Cl)c(Cl)c2[O-])cc1 ZINC000671862883 548369471 /nfs/dbraw/zinc/36/94/71/548369471.db2.gz OKBHODYOBFLBDK-UHFFFAOYSA-N -1 0 349.173 3.183 20 30 EGEDRM C=CCCOCC(=O)N[C@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000678981819 549609268 /nfs/dbraw/zinc/60/92/68/549609268.db2.gz XAIVIJJEZMVZAB-MRXNPFEDSA-N -1 0 333.428 3.209 20 30 EGEDRM Cn1nc(C([O-])=C(C#N)c2ccc3ccccc3n2)cc1OC(F)F ZINC000681042176 549946376 /nfs/dbraw/zinc/94/63/76/549946376.db2.gz IRCYVCFONIGABC-LLVKDONJSA-N -1 0 342.305 3.060 20 30 EGEDRM CCOc1cnc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)cn1 ZINC000681721773 550030557 /nfs/dbraw/zinc/03/05/57/550030557.db2.gz XLAREAXOXNMVAD-JTQLQIEISA-N -1 0 342.355 3.114 20 30 EGEDRM CN(C)c1ccc(/C=C\C(=O)c2ccc(CC(=O)[O-])cc2)cc1F ZINC000727654038 574681731 /nfs/dbraw/zinc/68/17/31/574681731.db2.gz GDXGVININOWLDU-POHAHGRESA-N -1 0 327.355 3.415 20 30 EGEDRM O=C([O-])c1ccoc1COc1ccc(CN=Nc2ccccn2)cc1 ZINC000730946409 575038714 /nfs/dbraw/zinc/03/87/14/575038714.db2.gz UOVNRAJKYSGNHA-UHFFFAOYSA-N -1 0 337.335 3.398 20 30 EGEDRM CC(=NNc1nc(C)cc(=O)[nH]1)c1cccc(OC(F)(F)F)c1 ZINC000730946011 575038279 /nfs/dbraw/zinc/03/82/79/575038279.db2.gz XWLFSHWXMSBTOE-UHFFFAOYSA-N -1 0 326.278 3.225 20 30 EGEDRM C[C@H](Oc1cccc(/C=C2\COc3ccc(F)cc3C2=O)c1)C(=O)[O-] ZINC000731564853 575080776 /nfs/dbraw/zinc/08/07/76/575080776.db2.gz AYHANSZUWIKPLK-DELQEKLWSA-N -1 0 342.322 3.336 20 30 EGEDRM CCOc1ccc(C(=O)/C=C/c2cccc(OCC(=O)[O-])c2)cc1 ZINC000733207565 575320679 /nfs/dbraw/zinc/32/06/79/575320679.db2.gz ZWULZGFOBPRSFG-IZZDOVSWSA-N -1 0 326.348 3.445 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@H](C)c2cccs2)n1 ZINC000738782275 575422118 /nfs/dbraw/zinc/42/21/18/575422118.db2.gz IUEPWEBQZDRAGZ-MNOVXSKESA-N -1 0 334.422 3.036 20 30 EGEDRM C=CCN(Cc1cccs1)C(=O)[C@@H](C)S[C@H](C)CC(=O)[O-] ZINC000736108943 575897576 /nfs/dbraw/zinc/89/75/76/575897576.db2.gz XCZAXPZXGNGOMR-VXGBXAGGSA-N -1 0 327.471 3.248 20 30 EGEDRM C#CCOc1cccc(NC(=O)c2[nH]c(C)c(C(=O)[O-])c2CCC)c1 ZINC000736090179 575898121 /nfs/dbraw/zinc/89/81/21/575898121.db2.gz WPVQJTSQIJEBGK-UHFFFAOYSA-N -1 0 340.379 3.238 20 30 EGEDRM C=CCCCCCN(C)S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000736097239 575899218 /nfs/dbraw/zinc/89/92/18/575899218.db2.gz AZZCNLDCELUKJY-UHFFFAOYSA-N -1 0 345.848 3.405 20 30 EGEDRM C=CCCCCCN(C)S(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC000736098238 575899499 /nfs/dbraw/zinc/89/94/99/575899499.db2.gz XSBKJBSDUKIWJR-UHFFFAOYSA-N -1 0 345.848 3.405 20 30 EGEDRM C=CCOc1ccccc1CNC(=O)c1ccccc1NC(=O)[O-] ZINC000736113792 575900395 /nfs/dbraw/zinc/90/03/95/575900395.db2.gz GNQWSYMSXXOUFC-UHFFFAOYSA-N -1 0 326.352 3.271 20 30 EGEDRM C=CCn1c(=O)c2ccccc2nc1SCc1cc(C(=O)[O-])co1 ZINC000736117447 575901349 /nfs/dbraw/zinc/90/13/49/575901349.db2.gz KFIQLDRDSATZEO-UHFFFAOYSA-N -1 0 342.376 3.166 20 30 EGEDRM C=CCn1c(S[C@H](CCCC)C(=O)[O-])nnc1-c1ccncc1 ZINC000736118167 575901361 /nfs/dbraw/zinc/90/13/61/575901361.db2.gz RDUUVYNMFMYKCD-CYBMUJFWSA-N -1 0 332.429 3.262 20 30 EGEDRM CC(=O)Nc1ccc(S[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000736166194 575906590 /nfs/dbraw/zinc/90/65/90/575906590.db2.gz YHELPDJHHJVIDQ-INIZCTEOSA-N -1 0 326.377 3.435 20 30 EGEDRM CCC(N=Nc1oc(C)nc1-c1nnn[n-]1)c1ccc(Cl)s1 ZINC000736304433 575930783 /nfs/dbraw/zinc/93/07/83/575930783.db2.gz NEMUGIUJPISCDY-UHFFFAOYSA-N -1 0 337.796 3.104 20 30 EGEDRM CC(C)[C@H](NC(=O)[O-])C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000736377048 575946122 /nfs/dbraw/zinc/94/61/22/575946122.db2.gz RLFYPCSAECNEJD-SFHVURJKSA-N -1 0 336.391 3.317 20 30 EGEDRM C=C(Cl)CNC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000736687653 576005944 /nfs/dbraw/zinc/00/59/44/576005944.db2.gz CMXJBTWTEKWZPH-UHFFFAOYSA-N -1 0 345.708 3.079 20 30 EGEDRM CN(C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1)C1CC1 ZINC000737329425 576207298 /nfs/dbraw/zinc/20/72/98/576207298.db2.gz MXGSDEWCZDSRKC-UHFFFAOYSA-N -1 0 334.375 3.411 20 30 EGEDRM CN(C(=O)c1cc2ccccc2n1CC#N)c1ccccc1C(=O)[O-] ZINC000737336943 576209171 /nfs/dbraw/zinc/20/91/71/576209171.db2.gz QQFOMNPHEFGEEI-UHFFFAOYSA-N -1 0 333.347 3.140 20 30 EGEDRM CN(CCCC(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1)C(=O)[O-] ZINC000737415078 576223996 /nfs/dbraw/zinc/22/39/96/576223996.db2.gz DWRXBXZAPQIJSL-CYBMUJFWSA-N -1 0 343.408 3.376 20 30 EGEDRM N#CC(CCOC(=O)[C@H]1C[C@H]1C(=O)[O-])(c1ccccc1)c1ccccc1 ZINC000739075320 576376909 /nfs/dbraw/zinc/37/69/09/576376909.db2.gz RFZYGIFGHSELQN-MSOLQXFVSA-N -1 0 349.386 3.150 20 30 EGEDRM N#Cc1c(COC(=O)CCc2ccc(C(=O)[O-])cc2)cn2ccccc12 ZINC000739092519 576377560 /nfs/dbraw/zinc/37/75/60/576377560.db2.gz FOHHBGBDWJTFLG-UHFFFAOYSA-N -1 0 348.358 3.185 20 30 EGEDRM N#CCn1c(C(=O)N2Cc3ccc(C(=O)[O-])cc3C2)cc2ccccc21 ZINC000739092990 576377565 /nfs/dbraw/zinc/37/75/65/576377565.db2.gz YFBBONYHPUABMB-UHFFFAOYSA-N -1 0 345.358 3.019 20 30 EGEDRM N#CCn1c(C(=O)Nc2sccc2C(=O)[O-])cc2ccccc21 ZINC000739092424 576377607 /nfs/dbraw/zinc/37/76/07/576377607.db2.gz DZYMKXGXMRBVKB-UHFFFAOYSA-N -1 0 325.349 3.177 20 30 EGEDRM N#CCn1c(C(=O)OCc2ccc(C(=O)[O-])cc2)cc2ccccc21 ZINC000739093509 576377627 /nfs/dbraw/zinc/37/76/27/576377627.db2.gz RLDYSCZGQSGBPJ-UHFFFAOYSA-N -1 0 334.331 3.220 20 30 EGEDRM N#Cc1ccc([C@@H](OC(=O)Cc2ccccc2Cl)C(=O)[O-])cc1 ZINC000739114674 576378715 /nfs/dbraw/zinc/37/87/15/576378715.db2.gz KBQIOQDBWOIJRQ-MRXNPFEDSA-N -1 0 329.739 3.123 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)c2coc(-c3ccccc3)n2)C(=O)[O-])cc1 ZINC000739117903 576378969 /nfs/dbraw/zinc/37/89/69/576378969.db2.gz NQPIEGLUFMJQQV-INIZCTEOSA-N -1 0 348.314 3.196 20 30 EGEDRM N#Cc1cnc2c(F)cc(F)cc2c1N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000739145304 576379771 /nfs/dbraw/zinc/37/97/71/576379771.db2.gz LBMMKQKHWDMCNY-CYBMUJFWSA-N -1 0 343.333 3.076 20 30 EGEDRM O=C([O-])c1ccc(COc2ccccc2CN=Nc2cccnn2)cc1 ZINC000740134870 576553116 /nfs/dbraw/zinc/55/31/16/576553116.db2.gz HVMZTEDQDDRZQI-UHFFFAOYSA-N -1 0 348.362 3.200 20 30 EGEDRM C/C(=C\C(=O)Nc1nc(C#N)c(C#N)[n-]1)c1cccc(C(F)(F)F)c1 ZINC000743305907 576805383 /nfs/dbraw/zinc/80/53/83/576805383.db2.gz ZOBUJFGXWWYDIE-WEVVVXLNSA-N -1 0 345.284 3.214 20 30 EGEDRM Cc1nnc(NN=Cc2cc(Cl)ccc2OC2CCCC2)[n-]c1=O ZINC000743427067 576809060 /nfs/dbraw/zinc/80/90/60/576809060.db2.gz NTZYDSOIQMTFRR-UHFFFAOYSA-N -1 0 347.806 3.306 20 30 EGEDRM CN(CCC(=O)[O-])C(=O)c1ccccc1Sc1ccccc1C#N ZINC000818457310 597006593 /nfs/dbraw/zinc/00/65/93/597006593.db2.gz UCFFNPZTTVBXKI-UHFFFAOYSA-N -1 0 340.404 3.256 20 30 EGEDRM C[C@@H](C(=O)[O-])N(C)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 ZINC000817762407 597464140 /nfs/dbraw/zinc/46/41/40/597464140.db2.gz LOLPJMHXKMAEHQ-ZDUSSCGKSA-N -1 0 338.363 3.090 20 30 EGEDRM Cc1cc(NC(=O)Nc2cccc(OCC#N)c2)ccc1C(=O)[O-] ZINC000821034125 597470717 /nfs/dbraw/zinc/47/07/17/597470717.db2.gz NXNOSYSLBGNPSU-UHFFFAOYSA-N -1 0 325.324 3.240 20 30 EGEDRM O=C([O-])c1cccc(/C=C\C(=O)c2ccc(N3CCOC3=O)cc2)c1 ZINC000774125676 598201595 /nfs/dbraw/zinc/20/15/95/598201595.db2.gz AOZVHGLGDLIYGM-WTKPLQERSA-N -1 0 337.331 3.238 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000819857752 598225609 /nfs/dbraw/zinc/22/56/09/598225609.db2.gz ZTIBDVDJVSMZAF-MRXNPFEDSA-N -1 0 329.381 3.117 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1nc(/C=C\c2ccccc2)cs1 ZINC000819865684 598227852 /nfs/dbraw/zinc/22/78/52/598227852.db2.gz NGQBRYUSMQZUHQ-QWPQOLDESA-N -1 0 341.392 3.257 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(Sc2ccncc2)cc1 ZINC000819857168 598230873 /nfs/dbraw/zinc/23/08/73/598230873.db2.gz SWNGXWCOTLHRHT-QGZVFWFLSA-N -1 0 341.392 3.176 20 30 EGEDRM CC(C)Cc1nc(-c2nnn[n-]2)c(N=NC(C)CC2CCCC2)o1 ZINC000824392136 607782759 /nfs/dbraw/zinc/78/27/59/607782759.db2.gz MNPRGLHVBYLGEX-UHFFFAOYSA-N -1 0 331.424 3.421 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)c2ccc(C(F)F)cc2)C(=O)[O-])cc1 ZINC000739115289 600616019 /nfs/dbraw/zinc/61/60/19/600616019.db2.gz PQHOZPTXZOLHOK-AWEZNQCLSA-N -1 0 331.274 3.479 20 30 EGEDRM COc1ccc(C=Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)cc1C#N ZINC000737982736 600983248 /nfs/dbraw/zinc/98/32/48/600983248.db2.gz NMZTWWCRGMKBLM-CLTKARDFSA-N -1 0 347.330 3.084 20 30 EGEDRM C#CCOc1cc(F)ccc1NC(=O)Nc1cccc(C(=O)[O-])c1C ZINC000825626121 601015003 /nfs/dbraw/zinc/01/50/03/601015003.db2.gz UXTZEQLDNJCLMQ-UHFFFAOYSA-N -1 0 342.326 3.488 20 30 EGEDRM C[C@H](NC(=O)Nc1ccc(F)c(C(=O)[O-])c1)c1cccc(C#N)c1 ZINC000827671026 601025777 /nfs/dbraw/zinc/02/57/77/601025777.db2.gz BCMAWEZLIGNARN-JTQLQIEISA-N -1 0 327.315 3.278 20 30 EGEDRM N#Cc1ccc(C(=O)N2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])cc1 ZINC000833070426 601085629 /nfs/dbraw/zinc/08/56/29/601085629.db2.gz FZKYNJMJBWKQNN-IAGOWNOFSA-N -1 0 326.396 3.054 20 30 EGEDRM O=C(C#Cc1ccccc1)NCc1c2ccccc2sc1C(=O)[O-] ZINC000833091927 601281920 /nfs/dbraw/zinc/28/19/20/601281920.db2.gz IKZWQOLYEROLNL-UHFFFAOYSA-N -1 0 335.384 3.267 20 30 EGEDRM CC(C)NC(=O)Nc1ccc(C(=O)/C=C/c2ccc(C(=O)[O-])[nH]2)cc1 ZINC000826975856 601331246 /nfs/dbraw/zinc/33/12/46/601331246.db2.gz COKMIYALEGOLRW-CSKARUKUSA-N -1 0 341.367 3.139 20 30 EGEDRM Cc1ccc(O[C@H](C)C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000832952741 601347644 /nfs/dbraw/zinc/34/76/44/601347644.db2.gz BVKAKZRVMGYDCA-DYVFJYSZSA-N -1 0 339.347 3.003 20 30 EGEDRM N#Cc1cccc([C@@H](OC(=O)c2ccc(-c3cnco3)cc2)C(=O)[O-])c1 ZINC000833077467 601350496 /nfs/dbraw/zinc/35/04/96/601350496.db2.gz UAYYPJSAZNGZIU-QGZVFWFLSA-N -1 0 348.314 3.196 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1ncccc1C ZINC000825706020 601441763 /nfs/dbraw/zinc/44/17/63/601441763.db2.gz XNVVXCFTVQKKEV-UHFFFAOYSA-N -1 0 327.336 3.045 20 30 EGEDRM C=CCCCC(=O)N[C@@H](C(=O)[O-])c1ccc(Br)cc1 ZINC000825671423 601449910 /nfs/dbraw/zinc/44/99/10/601449910.db2.gz PNIORBIBAKISSS-CYBMUJFWSA-N -1 0 326.190 3.047 20 30 EGEDRM N#Cc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)cc1 ZINC000013173773 601620923 /nfs/dbraw/zinc/62/09/23/601620923.db2.gz CQWLUZBBMWVQCR-HNNXBMFYSA-N -1 0 328.755 3.157 20 30 EGEDRM C[C@H](CNC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)C(=O)[O-] ZINC000827492906 601623551 /nfs/dbraw/zinc/62/35/51/601623551.db2.gz JMPYUJRMHSWZBI-GFCCVEGCSA-N -1 0 339.351 3.193 20 30 EGEDRM C=CCOc1ccccc1C(=O)OCc1ccc(C(=O)[O-])c(F)c1 ZINC000825702530 601720745 /nfs/dbraw/zinc/72/07/45/601720745.db2.gz PLYIJKILPDXLSI-UHFFFAOYSA-N -1 0 330.311 3.446 20 30 EGEDRM Cc1sc(C(=O)[O-])cc1COC(=O)c1ccccc1OCC#N ZINC000833033214 601725579 /nfs/dbraw/zinc/72/55/79/601725579.db2.gz SXJILSMTZTXMOU-UHFFFAOYSA-N -1 0 331.349 3.014 20 30 EGEDRM C[C@@]1(C(=O)[O-])CCN(C(=O)Nc2cccc(C#Cc3ccccc3)c2)C1 ZINC000828007457 601986007 /nfs/dbraw/zinc/98/60/07/601986007.db2.gz CCEMEXDBHLBJEU-OAQYLSRUSA-N -1 0 348.402 3.415 20 30 EGEDRM CC(C)C[C@H](C#N)NC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000826753760 601994116 /nfs/dbraw/zinc/99/41/16/601994116.db2.gz FQXVTMHFSCVTKC-GFCCVEGCSA-N -1 0 343.305 3.463 20 30 EGEDRM N#C[C@@H]1CCC[C@@H]1NC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000833064284 602026783 /nfs/dbraw/zinc/02/67/83/602026783.db2.gz HBTVMEYFSNQYBY-UFBFGSQYSA-N -1 0 341.289 3.217 20 30 EGEDRM COc1cc(NCc2ccc(F)c(C#N)c2)c(C(=O)[O-])cc1OC ZINC000832027213 602099282 /nfs/dbraw/zinc/09/92/82/602099282.db2.gz VRYUVUDKFKWVHL-UHFFFAOYSA-N -1 0 330.315 3.025 20 30 EGEDRM C[C@@H](Oc1ccc(/C=C\C(=O)c2ccc3c(c2)CCO3)cc1)C(=O)[O-] ZINC000794700753 602107953 /nfs/dbraw/zinc/10/79/53/602107953.db2.gz YLTNKEMVTFMQHT-IBSXUBTNSA-N -1 0 338.359 3.370 20 30 EGEDRM COc1ccc2c(c1)C(=O)/C(=C\c1ccc(O[C@H](C)C(=O)[O-])cc1)C2 ZINC000794700246 602112390 /nfs/dbraw/zinc/11/23/90/602112390.db2.gz ICKHMRAWRINGHK-CDCQXCROSA-N -1 0 338.359 3.370 20 30 EGEDRM C[C@@](C#N)(CCc1ccccc1)NC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000825967029 604313036 /nfs/dbraw/zinc/31/30/36/604313036.db2.gz QLCABNPKFUYWGV-IBGZPJMESA-N -1 0 340.354 3.169 20 30 EGEDRM CC(C)(C(=O)[O-])[C@H](NC(=O)c1sccc1C#N)c1ccccc1 ZINC000826105661 604375317 /nfs/dbraw/zinc/37/53/17/604375317.db2.gz FTLSVFUCKMUMSG-CQSZACIVSA-N -1 0 328.393 3.202 20 30 EGEDRM COc1cc(C#N)cc(Cl)c1OC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000831861012 604376697 /nfs/dbraw/zinc/37/66/97/604376697.db2.gz KCMFLLFGDDQHBT-UHFFFAOYSA-N -1 0 349.701 3.277 20 30 EGEDRM Cc1cnn(-c2ccc(C(=O)[O-])cc2NC(=O)c2ccc(C#N)cc2)c1 ZINC000833754453 604486113 /nfs/dbraw/zinc/48/61/13/604486113.db2.gz PIBLOSQOLRAASU-UHFFFAOYSA-N -1 0 346.346 3.003 20 30 EGEDRM C=CCN(C(=O)Nc1cc(C(=O)[O-])ccc1-n1cc(C)cn1)C(C)C ZINC000833374861 604491180 /nfs/dbraw/zinc/49/11/80/604491180.db2.gz JQDZRDLOSNYMBU-UHFFFAOYSA-N -1 0 342.399 3.307 20 30 EGEDRM C=CCOc1ccccc1CNC(=O)Nc1cc(C(=O)[O-])cs1 ZINC000825702301 604496089 /nfs/dbraw/zinc/49/60/89/604496089.db2.gz ISFMTMBBOALJNN-UHFFFAOYSA-N -1 0 332.381 3.333 20 30 EGEDRM COCc1nc(CSCc2cccc(C(=O)[O-])c2C#N)cs1 ZINC000833725701 604538800 /nfs/dbraw/zinc/53/88/00/604538800.db2.gz DLFMAEKTXHPWGR-UHFFFAOYSA-N -1 0 334.422 3.293 20 30 EGEDRM Cc1c(C#N)cccc1NC(=O)N[C@H]1CCCCCC[C@H]1C(=O)[O-] ZINC000832849571 604557356 /nfs/dbraw/zinc/55/73/56/604557356.db2.gz JHZCTSOTTZAJFC-ZBFHGGJFSA-N -1 0 329.400 3.412 20 30 EGEDRM C=CCN(Cc1cc(C)c(OCC(=O)[O-])c(C)c1)CC(F)(F)F ZINC000833374704 604607544 /nfs/dbraw/zinc/60/75/44/604607544.db2.gz YXYYNYNPWZAOKG-UHFFFAOYSA-N -1 0 331.334 3.317 20 30 EGEDRM COc1cc(OC)c(OC)cc1/C=C/C(=O)c1ccc(C(=O)[O-])cc1 ZINC000832034608 604627239 /nfs/dbraw/zinc/62/72/39/604627239.db2.gz ZTOCQGKDIRQHJY-CMDGGOBGSA-N -1 0 342.347 3.307 20 30 EGEDRM CC(C)(C#N)c1ccccc1CN1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC000826081402 604670950 /nfs/dbraw/zinc/67/09/50/604670950.db2.gz RGPGIJFLUZKAIV-SFHVURJKSA-N -1 0 336.391 3.340 20 30 EGEDRM N#Cc1ccc([C@@H](OC(=O)Cc2ccc(F)cc2Cl)C(=O)[O-])cc1 ZINC000833073188 604692455 /nfs/dbraw/zinc/69/24/55/604692455.db2.gz WYSCXZKJWFPZOX-MRXNPFEDSA-N -1 0 347.729 3.262 20 30 EGEDRM C=CCn1c(Sc2nc(Cl)c(C(=O)[O-])s2)nnc1C1CC1 ZINC000833380851 604820931 /nfs/dbraw/zinc/82/09/31/604820931.db2.gz QKTZUBMHTMMQQV-UHFFFAOYSA-N -1 0 342.833 3.301 20 30 EGEDRM N#Cc1ccc(NC(=O)CCc2ccc(C(=O)[O-])cc2)c(Cl)c1 ZINC000833073516 604913616 /nfs/dbraw/zinc/91/36/16/604913616.db2.gz QFPYVBMHIWJYJR-UHFFFAOYSA-N -1 0 328.755 3.481 20 30 EGEDRM C[C@@H](C(=O)OCc1cccc(C(=O)[O-])c1C#N)c1c(F)cccc1F ZINC000833409434 605036214 /nfs/dbraw/zinc/03/62/14/605036214.db2.gz LTDYVJYSMFEVJR-SNVBAGLBSA-N -1 0 345.301 3.382 20 30 EGEDRM C=CCn1c(S[C@H](C(=O)[O-])C2CC2)nnc1-c1ccc(OC)cc1 ZINC000833380762 605070319 /nfs/dbraw/zinc/07/03/19/605070319.db2.gz OKDYLTNUMWECDS-AWEZNQCLSA-N -1 0 345.424 3.095 20 30 EGEDRM CC(C)(C(=O)[O-])c1ccc(NC(=O)N2CCC(CC#N)CC2)cc1 ZINC000833418358 605096942 /nfs/dbraw/zinc/09/69/42/605096942.db2.gz IAGGKIPZSUGVCK-UHFFFAOYSA-N -1 0 329.400 3.206 20 30 EGEDRM C[C@@H](C(=O)[O-])[C@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)c1ccccc1 ZINC000833411202 605215428 /nfs/dbraw/zinc/21/54/28/605215428.db2.gz NFAPILZTVZEYST-KDOFPFPSSA-N -1 0 348.402 3.434 20 30 EGEDRM N#Cc1ccc(Cl)cc1Oc1snc(Cl)c1-c1nnn[n-]1 ZINC000826385512 608190951 /nfs/dbraw/zinc/19/09/51/608190951.db2.gz PQMGFJZMIAWMQT-UHFFFAOYSA-N -1 0 339.167 3.294 20 30 EGEDRM CC(C)(C)n1ncc2c1nc(N=NC=CCc1ccccc1)[n-]c2=O ZINC000769811044 1303178933 /nfs/dbraw/zinc/17/89/33/1303178933.db2.gz YKHVYCRAQHBVML-XNFARFMYSA-N -1 0 336.399 3.398 20 30 EGEDRM C#Cc1cccc(NC(=O)CCn2c(=O)c3ccccc3[n-]c2=S)c1 ZINC000022409041 1291213966 /nfs/dbraw/zinc/21/39/66/1291213966.db2.gz JKGRDLVBZXZRIW-UHFFFAOYSA-N -1 0 349.415 3.069 20 30 EGEDRM Cc1ccc([C@H](O)C/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC000032075109 1291376163 /nfs/dbraw/zinc/37/61/63/1291376163.db2.gz RXLQMBFIKYTULI-RIEVCORGSA-N -1 0 334.759 3.415 20 30 EGEDRM Cn1c(Cl)c(Cl)cc1C(=O)[N-]S(=O)(=O)c1ccccc1 ZINC000042232739 1291437379 /nfs/dbraw/zinc/43/73/79/1291437379.db2.gz ODPVEDRQBROXBN-UHFFFAOYSA-N -1 0 333.196 3.025 20 30 EGEDRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)c1oc2ccccc2c1C ZINC000042290126 1291439659 /nfs/dbraw/zinc/43/96/59/1291439659.db2.gz BDONXIBNRUWQOJ-UHFFFAOYSA-N -1 0 334.353 3.040 20 30 EGEDRM Cc1cc2occ(CC(=O)[N-]S(=O)(=O)c3cccnc3)c2cc1C ZINC000042323581 1291440498 /nfs/dbraw/zinc/44/04/98/1291440498.db2.gz VYYZULXRZQUHRF-UHFFFAOYSA-N -1 0 344.392 3.333 20 30 EGEDRM COc1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)c2ccccc12 ZINC000044013274 1291467371 /nfs/dbraw/zinc/46/73/71/1291467371.db2.gz RYLICBCUIDCBJS-QRBZPYHOSA-N -1 0 336.343 3.077 20 30 EGEDRM Cc1cc(C)c(OCC(=O)[N-]S(=O)(=O)c2ccccc2)c(C)c1 ZINC000046708703 1291552151 /nfs/dbraw/zinc/55/21/51/1291552151.db2.gz GEZPMXCKJPAGDV-UHFFFAOYSA-N -1 0 333.409 3.336 20 30 EGEDRM COc1cccc(CC(=O)[N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000046928777 1291557644 /nfs/dbraw/zinc/55/76/44/1291557644.db2.gz JBVNYPCXIJFACA-UHFFFAOYSA-N -1 0 345.829 3.298 20 30 EGEDRM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)[C@@H](C)Oc2ccccc2)c1 ZINC000046929278 1291557876 /nfs/dbraw/zinc/55/78/76/1291557876.db2.gz LIHDJBNOUSAJBP-CQSZACIVSA-N -1 0 333.409 3.416 20 30 EGEDRM C[C@H](Oc1ccccc1Cl)C(=O)[N-]S(=O)(=O)c1ccccc1 ZINC000048406146 1291603074 /nfs/dbraw/zinc/60/30/74/1291603074.db2.gz DDFPEDKFPSWQJF-NSHDSACASA-N -1 0 339.800 3.453 20 30 EGEDRM O=C([N-]S(=O)(=O)c1ccccc1)c1csc(-c2ccco2)n1 ZINC000048406033 1291603724 /nfs/dbraw/zinc/60/37/24/1291603724.db2.gz SZDRNAHDMDGCCG-UHFFFAOYSA-N -1 0 334.378 3.097 20 30 EGEDRM CCOc1ccc(S(=O)(=O)[N-]C(=O)c2c(C)oc(C)c2C)cc1 ZINC000048452208 1291605730 /nfs/dbraw/zinc/60/57/30/1291605730.db2.gz QFMKCHUKBHIZSO-UHFFFAOYSA-N -1 0 337.397 3.297 20 30 EGEDRM Cc1ccc(C)c(C(=O)CCC(=O)[N-]S(=O)(=O)c2cccnc2)c1 ZINC000048531759 1291610480 /nfs/dbraw/zinc/61/04/80/1291610480.db2.gz SPIXEEGGXXOEDO-UHFFFAOYSA-N -1 0 346.408 3.007 20 30 EGEDRM Cc1ccc(CCC(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)c(C)c1 ZINC000048599464 1291612288 /nfs/dbraw/zinc/61/22/88/1291612288.db2.gz OYZFABXTQXBTRR-UHFFFAOYSA-N -1 0 342.420 3.453 20 30 EGEDRM N#Cc1cccc(S(=O)(=O)[N-]C(=O)c2ccc(Cl)cc2F)c1 ZINC000048599241 1291612642 /nfs/dbraw/zinc/61/26/42/1291612642.db2.gz DCSVVKHAEQKNGY-UHFFFAOYSA-N -1 0 338.747 3.044 20 30 EGEDRM Cc1cc(C(=O)[N-]S(=O)(=O)N(C)Cc2ccccc2)c(C)s1 ZINC000048677157 1291615426 /nfs/dbraw/zinc/61/54/26/1291615426.db2.gz JXHZGKTUBZZMFL-UHFFFAOYSA-N -1 0 338.454 3.046 20 30 EGEDRM O=C([N-]S(=O)(=O)N1CCCCC1)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000052794038 1291712821 /nfs/dbraw/zinc/71/28/21/1291712821.db2.gz KCXNHLSCJBPJSR-GHMZBOCLSA-N -1 0 342.383 3.042 20 30 EGEDRM COc1cccc(S(=O)(=O)[N-]C(=O)Cc2c[nH]c3ccccc23)c1 ZINC000058186105 1291882107 /nfs/dbraw/zinc/88/21/07/1291882107.db2.gz DTHTXEYTZDHOIJ-UHFFFAOYSA-N -1 0 344.392 3.064 20 30 EGEDRM COc1ccc(CCCC(=O)[N-]S(=O)(=O)c2ccccc2)cc1 ZINC000061066940 1291959298 /nfs/dbraw/zinc/95/92/98/1291959298.db2.gz LNMKLJOHLDLJBO-UHFFFAOYSA-N -1 0 333.409 3.363 20 30 EGEDRM CCO[C@H](CC)C(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000066004096 1292103618 /nfs/dbraw/zinc/10/36/18/1292103618.db2.gz WVTUUQGJUDSAHA-LLVKDONJSA-N -1 0 339.335 3.166 20 30 EGEDRM O=C(C[C@@H]1CCCO1)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000069641911 1292246333 /nfs/dbraw/zinc/24/63/33/1292246333.db2.gz XHVPLWJFMGWXRC-LURJTMIESA-N -1 0 344.241 3.269 20 30 EGEDRM O=C(C[C@H]1CCCO1)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000069641913 1292246725 /nfs/dbraw/zinc/24/67/25/1292246725.db2.gz XHVPLWJFMGWXRC-ZCFIWIBFSA-N -1 0 344.241 3.269 20 30 EGEDRM C=CCCC(=O)[N-]S(=O)(=O)c1ccc(C)cc1Br ZINC000075040545 1292380279 /nfs/dbraw/zinc/38/02/79/1292380279.db2.gz HXLQNHFEVGLJNT-UHFFFAOYSA-N -1 0 332.219 3.369 20 30 EGEDRM CCC=C(C)C(=O)[N-]S(=O)(=O)c1cc(C)c(C)c([N+](=O)[O-])c1 ZINC000078556453 1292515945 /nfs/dbraw/zinc/51/59/45/1292515945.db2.gz SJIKCYMSAPTRQY-TWGQIWQCSA-N -1 0 326.374 3.213 20 30 EGEDRM C=CCC1(O)CCN(C(=O)c2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000829695304 1292605028 /nfs/dbraw/zinc/60/50/28/1292605028.db2.gz DMZZYWPSBHJZHK-UHFFFAOYSA-N -1 0 330.211 3.242 20 30 EGEDRM N#CCCN(Cc1ccccn1)Cc1cccc(Br)c1[O-] ZINC000093100566 1292908357 /nfs/dbraw/zinc/90/83/57/1292908357.db2.gz PTQSKXVXCSUDDR-UHFFFAOYSA-N -1 0 346.228 3.466 20 30 EGEDRM CCCc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CC2(Cl)Cl)cc1 ZINC000097465417 1292960956 /nfs/dbraw/zinc/96/09/56/1292960956.db2.gz WTPUGRKOAONADY-LLVKDONJSA-N -1 0 336.240 3.478 20 30 EGEDRM C[C@H](Oc1cccc(C=NN[C@H]2CCc3c2cccc3F)c1)C(=O)[O-] ZINC000835020520 1293189535 /nfs/dbraw/zinc/18/95/35/1293189535.db2.gz NFUFHJNKGFDRKV-SGTLLEGYSA-N -1 0 342.370 3.289 20 30 EGEDRM CC(CC1(C(=O)[O-])CCC1)N=Nc1cccc(Br)n1 ZINC000835023495 1293190314 /nfs/dbraw/zinc/19/03/14/1293190314.db2.gz JEZRDOPGWPOPIX-UHFFFAOYSA-N -1 0 326.194 3.277 20 30 EGEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(C(F)(F)F)n1 ZINC000116600931 1293209254 /nfs/dbraw/zinc/20/92/54/1293209254.db2.gz HFNIMGSKJUKPCU-UHFFFAOYSA-N -1 0 341.314 3.081 20 30 EGEDRM C=CCC1(C(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2F)CCCC1 ZINC000835108285 1293211112 /nfs/dbraw/zinc/21/11/12/1293211112.db2.gz FFZQJFAOJCBMGC-UHFFFAOYSA-N -1 0 345.823 3.421 20 30 EGEDRM N#CCCN(Cc1ccccn1)C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000118887097 1293246035 /nfs/dbraw/zinc/24/60/35/1293246035.db2.gz AUUZEWPXLBRJIS-UHFFFAOYSA-N -1 0 338.392 3.068 20 30 EGEDRM COC(=O)COc1ccc(/C=C/C(=O)c2ccc([O-])c(Cl)c2)cc1 ZINC000119277483 1293263348 /nfs/dbraw/zinc/26/33/48/1293263348.db2.gz AHVASGJBNWBWNR-XBXARRHUSA-N -1 0 346.766 3.494 20 30 EGEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1ccc(Oc2cccnc2)cc1 ZINC000120285084 1293314813 /nfs/dbraw/zinc/31/48/13/1293314813.db2.gz DEIYUPHFNWDTJA-SFHVURJKSA-N -1 0 349.390 3.255 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cccc(OC(F)(F)F)c1 ZINC000121465582 1293372433 /nfs/dbraw/zinc/37/24/33/1293372433.db2.gz UTLFQBJJLKSZLS-ZDUSSCGKSA-N -1 0 342.317 3.214 20 30 EGEDRM C=CCC1(C(=O)[N-]S(=O)(=O)c2sccc2Cl)CCCC1 ZINC000835947358 1293408435 /nfs/dbraw/zinc/40/84/35/1293408435.db2.gz RAOBXLSXXSFFFY-UHFFFAOYSA-N -1 0 333.862 3.343 20 30 EGEDRM N#CC(=C([O-])C1=CCCCCC1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000123408043 1293442909 /nfs/dbraw/zinc/44/29/09/1293442909.db2.gz JDSKUMSKHOTBLP-OAHLLOKOSA-N -1 0 348.410 3.264 20 30 EGEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(SC(F)(F)F)cc1 ZINC000124600978 1293479767 /nfs/dbraw/zinc/47/97/67/1293479767.db2.gz BPUVJGAGMIAUKC-GFCCVEGCSA-N -1 0 342.342 3.243 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(OC(F)F)cc1 ZINC000125591981 1293511516 /nfs/dbraw/zinc/51/15/16/1293511516.db2.gz DYAFGMBZUULBSJ-CQSZACIVSA-N -1 0 338.354 3.307 20 30 EGEDRM CC(=O)Nc1ccc(Cl)c(C(=O)Nc2cc(C#N)ccc2[O-])c1 ZINC000129874639 1293637813 /nfs/dbraw/zinc/63/78/13/1293637813.db2.gz OWHZFDRKRIQMIW-UHFFFAOYSA-N -1 0 329.743 3.128 20 30 EGEDRM C[C@@H]1c2c(c(O)ccc2F)C(=O)/C1=C/c1ccc(-n2cncn2)cc1 ZINC000137838652 1293832214 /nfs/dbraw/zinc/83/22/14/1293832214.db2.gz OFCCMOFTLRWROQ-KYJZABPNSA-N -1 0 335.338 3.495 20 30 EGEDRM COc1cc(OC)c(OC)cc1/C=C/C(=O)c1ccc(F)cc1[O-] ZINC000156712313 1294156405 /nfs/dbraw/zinc/15/64/05/1294156405.db2.gz KOZZNLAERIXBOP-QPJJXVBHSA-N -1 0 332.327 3.453 20 30 EGEDRM C=CCC[C@@H](OC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O)C1CC1 ZINC000159706820 1294244402 /nfs/dbraw/zinc/24/44/02/1294244402.db2.gz QGCBLYGVTZEIHZ-OAHLLOKOSA-N -1 0 344.436 3.124 20 30 EGEDRM COc1cc(/C=C/C(=O)c2ccc([O-])c(F)c2)c([N+](=O)[O-])cc1OC ZINC000170851880 1294383796 /nfs/dbraw/zinc/38/37/96/1294383796.db2.gz XNPALPFUIYPLTC-HWKANZROSA-N -1 0 347.298 3.353 20 30 EGEDRM CCCCC[C@@H](C)CC(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1 ZINC000174147121 1294483101 /nfs/dbraw/zinc/48/31/01/1294483101.db2.gz LJCLGJZUHWVRDY-CQSZACIVSA-N -1 0 336.457 3.111 20 30 EGEDRM O=C1c2cc(F)cc(F)c2OC/C1=C\c1cc([O-])ccc1[N+](=O)[O-] ZINC000178724292 1294751814 /nfs/dbraw/zinc/75/18/14/1294751814.db2.gz FEEMDKWVRNZBQX-YCRREMRBSA-N -1 0 333.246 3.237 20 30 EGEDRM COCCOc1ccc(Cl)cc1C(=O)Nc1cc(C#N)ccc1[O-] ZINC000179741097 1294822437 /nfs/dbraw/zinc/82/24/37/1294822437.db2.gz FKRJDKUWQPUGFY-UHFFFAOYSA-N -1 0 346.770 3.195 20 30 EGEDRM N#CCOc1cc(F)ccc1NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000183238962 1295106998 /nfs/dbraw/zinc/10/69/98/1295106998.db2.gz XPYCFOQRWIUXST-UHFFFAOYSA-N -1 0 340.232 3.103 20 30 EGEDRM C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC000185109416 1295241769 /nfs/dbraw/zinc/24/17/69/1295241769.db2.gz JHNODGGPYAXDRG-UHFFFAOYSA-N -1 0 349.383 3.214 20 30 EGEDRM CN1C(=O)CCc2cc(/C=C/C(=O)c3ccc([O-])c(F)c3)ccc21 ZINC000187641333 1295405084 /nfs/dbraw/zinc/40/50/84/1295405084.db2.gz ONDGVVFFUMAXBC-XVNBXDOJSA-N -1 0 325.339 3.336 20 30 EGEDRM COc1ccc(O)c(C(=O)/C=C/c2ccc3c(c2)CCC(=O)N3C)c1 ZINC000187644523 1295405718 /nfs/dbraw/zinc/40/57/18/1295405718.db2.gz DLZAAVORZFJFRF-XBXARRHUSA-N -1 0 337.375 3.206 20 30 EGEDRM C#CCCCC(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000191999587 1295725990 /nfs/dbraw/zinc/72/59/90/1295725990.db2.gz PWUUADMFZZZWGU-UHFFFAOYSA-N -1 0 342.420 3.229 20 30 EGEDRM Cc1noc(C)c1/C=C/C(=O)c1ccc(OCCCC(=O)[O-])cc1 ZINC000192878279 1295809113 /nfs/dbraw/zinc/80/91/13/1295809113.db2.gz XRCHWGOJEVZFEE-MDZDMXLPSA-N -1 0 329.352 3.431 20 30 EGEDRM COc1cc(/C=C\C(=O)c2ccc(F)cc2[O-])c([N+](=O)[O-])cc1OC ZINC000255419774 1296532374 /nfs/dbraw/zinc/53/23/74/1296532374.db2.gz YSRVJPZSBITMFC-UTCJRWHESA-N -1 0 347.298 3.353 20 30 EGEDRM CN(C)c1cccc(C/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])n1 ZINC000255556474 1296545798 /nfs/dbraw/zinc/54/57/98/1296545798.db2.gz VYHGMVLVDPZPNG-IUXPMGMMSA-N -1 0 334.763 3.034 20 30 EGEDRM COc1ccc(N=Cc2cc(Cl)ccc2O)cc1-n1nnnc1C ZINC000255573088 1296549045 /nfs/dbraw/zinc/54/90/45/1296549045.db2.gz UBMMUGQSSCMHIT-UHFFFAOYSA-N -1 0 343.774 3.089 20 30 EGEDRM COC(=O)[C@H](C/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-])CC(C)C ZINC000255842735 1296570766 /nfs/dbraw/zinc/57/07/66/1296570766.db2.gz HZIGBEGHDGQVBT-XAXWUXFESA-N -1 0 342.779 3.208 20 30 EGEDRM O=C(/C=C\c1ccc(-n2cccn2)cc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000255912469 1296579175 /nfs/dbraw/zinc/57/91/75/1296579175.db2.gz POZGCVOWNUVKEW-YWEYNIOJSA-N -1 0 335.319 3.382 20 30 EGEDRM CC(C)(CCC(=O)[O-])NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000261601479 1296593691 /nfs/dbraw/zinc/59/36/91/1296593691.db2.gz BLXITAQDCOGOKC-UHFFFAOYSA-N -1 0 343.305 3.342 20 30 EGEDRM C=CCC[C@@H](NC(=O)CCCc1ncc(-c2ccccc2)o1)C(=O)[O-] ZINC000263043985 1296657574 /nfs/dbraw/zinc/65/75/74/1296657574.db2.gz ZXCWZZDNDCHBFE-OAHLLOKOSA-N -1 0 342.395 3.200 20 30 EGEDRM COc1cc(/C=C2\Cc3ccccc3C2=O)ccc1OCCC(=O)[O-] ZINC000588429771 1298065827 /nfs/dbraw/zinc/06/58/27/1298065827.db2.gz VIUFPDZYOCVROF-XNTDXEJSSA-N -1 0 338.359 3.371 20 30 EGEDRM COC(=O)[C@H](C)Oc1ccc(C=CC(=O)c2sccc2[O-])cc1 ZINC000588598981 1298091127 /nfs/dbraw/zinc/09/11/27/1298091127.db2.gz LUCSGVVSBXFGTC-OFSNVTPPSA-N -1 0 332.377 3.290 20 30 EGEDRM COCCCOc1cccc(C=NNc2ccc(C(=O)[O-])cc2)c1 ZINC000746483789 1298594059 /nfs/dbraw/zinc/59/40/59/1298594059.db2.gz NEIZSNZFANAYEN-UHFFFAOYSA-N -1 0 328.368 3.246 20 30 EGEDRM CC(C)Cc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2O)cc1 ZINC000748674290 1299057866 /nfs/dbraw/zinc/05/78/66/1299057866.db2.gz PFGGYKLFTQNZSO-UHFFFAOYSA-N -1 0 330.409 3.263 20 30 EGEDRM N#Cc1ccc(O)c([N-]S(=O)(=O)c2cc(Cl)sc2Cl)c1 ZINC000748674271 1299057997 /nfs/dbraw/zinc/05/79/97/1299057997.db2.gz NQRGUGJTNHSJSR-UHFFFAOYSA-N -1 0 349.220 3.433 20 30 EGEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1ccnc(Oc2ccccc2)c1 ZINC000749342515 1299196816 /nfs/dbraw/zinc/19/68/16/1299196816.db2.gz CLILUIOSAABURE-KRWDZBQOSA-N -1 0 349.390 3.255 20 30 EGEDRM O=C(/C=C\c1cnc2ccc(Cl)cn12)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000749591261 1299241274 /nfs/dbraw/zinc/24/12/74/1299241274.db2.gz VCNOWVMAMGSKHN-HYXAFXHYSA-N -1 0 343.726 3.498 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])cc1C=NNc1ccc(C(F)(F)F)cn1 ZINC000751131951 1299514192 /nfs/dbraw/zinc/51/41/92/1299514192.db2.gz WSSMJKHIVVVAJL-UHFFFAOYSA-N -1 0 326.234 3.160 20 30 EGEDRM CCC(N=Nc1ccc(C(F)(F)F)nn1)c1ccc(C(=O)[O-])cc1 ZINC000754708610 1300195492 /nfs/dbraw/zinc/19/54/92/1300195492.db2.gz CEUCVTBPRXWPDG-UHFFFAOYSA-N -1 0 338.289 3.420 20 30 EGEDRM C#CCOc1ccc(NS(=O)(=O)c2cc(F)cc(Cl)c2)cc1 ZINC000755411642 1300337545 /nfs/dbraw/zinc/33/75/45/1300337545.db2.gz BJUZTCZSBVVHJX-UHFFFAOYSA-N -1 0 339.775 3.292 20 30 EGEDRM COc1cccc(-c2n[nH]cc2C=CC(=O)c2ccc(O)cc2[O-])c1 ZINC000757471338 1300672698 /nfs/dbraw/zinc/67/26/98/1300672698.db2.gz BHCNDVLFPZKRNG-VMPITWQZSA-N -1 0 336.347 3.393 20 30 EGEDRM COc1cc(/C=C\C(=O)c2cc(C)ccc2O)ccc1OCC(=O)[O-] ZINC000757468662 1300673383 /nfs/dbraw/zinc/67/33/83/1300673383.db2.gz UVGNDTHNEDCEJU-DAXSKMNVSA-N -1 0 342.347 3.069 20 30 EGEDRM COc1cccc(-c2n[nH]cc2C=CC(=O)c2ccc(O)cc2[O-])c1 ZINC000757471339 1300674042 /nfs/dbraw/zinc/67/40/42/1300674042.db2.gz BHCNDVLFPZKRNG-YVMONPNESA-N -1 0 336.347 3.393 20 30 EGEDRM O=C(/C=C\c1cnn(-c2ccccc2)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000759091104 1301013498 /nfs/dbraw/zinc/01/34/98/1301013498.db2.gz OXAWRTPZEPCTAM-VURMDHGXSA-N -1 0 335.319 3.382 20 30 EGEDRM COc1cccc(/C=C/C(=O)c2cc([N+](=O)[O-])ccc2[O-])c1OC ZINC000759091784 1301014075 /nfs/dbraw/zinc/01/40/75/1301014075.db2.gz UHFAJQBNDAIXOJ-SOFGYWHQSA-N -1 0 329.308 3.214 20 30 EGEDRM N#Cc1cnc([N-]S(=O)(=O)/C=C\c2ccccc2Cl)s1 ZINC000759151861 1301026899 /nfs/dbraw/zinc/02/68/99/1301026899.db2.gz RGRUVOCNOSOGNX-WAYWQWQTSA-N -1 0 325.802 3.081 20 30 EGEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)CCC1CCC1 ZINC000759230729 1301046588 /nfs/dbraw/zinc/04/65/88/1301046588.db2.gz HEGSMUWYIBEZSB-CQSZACIVSA-N -1 0 344.411 3.280 20 30 EGEDRM FC(F)(F)c1n[n-]c(=S)n1N=Cc1cnc(C2CCC2)s1 ZINC000760230192 1301238061 /nfs/dbraw/zinc/23/80/61/1301238061.db2.gz BWWVKZJTPHYBPK-UHFFFAOYSA-N -1 0 333.364 3.192 20 30 EGEDRM Cc1cc(/C=C\C(=O)c2cccc(OCC(=O)[O-])c2)cnc1Cl ZINC000760262883 1301241218 /nfs/dbraw/zinc/24/12/18/1301241218.db2.gz LYKRRCNYSNSLEN-WAYWQWQTSA-N -1 0 331.755 3.403 20 30 EGEDRM Cc1ccccc1-c1cccc(/C=C\C(=O)c2cnc([O-])n(C)c2=O)c1 ZINC000761813140 1301545005 /nfs/dbraw/zinc/54/50/05/1301545005.db2.gz TYJCFSBYGXIUDU-KHPPLWFESA-N -1 0 346.386 3.357 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000762050318 1301601052 /nfs/dbraw/zinc/60/10/52/1301601052.db2.gz LUAKYWFUBDRHAT-UHFFFAOYSA-N -1 0 326.396 3.115 20 30 EGEDRM CN(C)c1cc(F)ccc1C(=O)/C=C\c1ccc([N+](=O)[O-])c([O-])c1 ZINC000764443778 1302064631 /nfs/dbraw/zinc/06/46/31/1302064631.db2.gz XUQQJKAGXLQYDY-YWEYNIOJSA-N -1 0 330.315 3.402 20 30 EGEDRM COc1cc(C(C)=NNc2ccccc2[N+](=O)[O-])cc([N+](=O)[O-])c1[O-] ZINC000764650361 1302110089 /nfs/dbraw/zinc/11/00/89/1302110089.db2.gz VRWPCASTJZOPHJ-UHFFFAOYSA-N -1 0 346.299 3.053 20 30 EGEDRM COC(=O)c1coc(C(=O)/C=C\c2cccc(C(=O)[O-])c2Cl)c1 ZINC000766501862 1302462701 /nfs/dbraw/zinc/46/27/01/1302462701.db2.gz JSTFTJVWEYCCPI-WAYWQWQTSA-N -1 0 334.711 3.314 20 30 EGEDRM CC(=NNCC(F)(F)F)c1cc(Br)c(F)cc1[O-] ZINC000769825387 1303181264 /nfs/dbraw/zinc/18/12/64/1303181264.db2.gz SJHDLMUACYNMTQ-UHFFFAOYSA-N -1 0 329.091 3.170 20 30 EGEDRM CCC(CC)n1ccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)n1 ZINC000769946051 1303196980 /nfs/dbraw/zinc/19/69/80/1303196980.db2.gz NQGOEXDBEPOMLE-OAHLLOKOSA-N -1 0 330.432 3.016 20 30 EGEDRM O=C1c2cc(F)ccc2OCC/C1=C/c1cc([O-])ccc1[N+](=O)[O-] ZINC000772798161 1303578184 /nfs/dbraw/zinc/57/81/84/1303578184.db2.gz SUNLHQCXAQKNQJ-YFHOEESVSA-N -1 0 329.283 3.488 20 30 EGEDRM N#Cc1ccc(/C=C\C(=O)c2cccc(OCC(=O)[O-])c2)c(F)c1 ZINC000772798614 1303578563 /nfs/dbraw/zinc/57/85/63/1303578563.db2.gz VJVLRMGGJTVXCZ-SREVYHEPSA-N -1 0 325.295 3.057 20 30 EGEDRM CCOc1nc(C([O-])=C(C#N)C(=O)Nc2cccc3ccccc32)co1 ZINC000773979631 1303759892 /nfs/dbraw/zinc/75/98/92/1303759892.db2.gz JECSULJYUQUQCD-AWEZNQCLSA-N -1 0 349.346 3.188 20 30 EGEDRM CC(C)Cn1ccc2c1cccc2C([O-])=C(C#N)C(=O)c1nccn1C ZINC000774143750 1303778775 /nfs/dbraw/zinc/77/87/75/1303778775.db2.gz VSKCJINXEYZSTM-MRXNPFEDSA-N -1 0 348.406 3.236 20 30 EGEDRM COC(=O)c1ccccc1NN=C(C)c1ccc(C(=O)[O-])c(F)c1 ZINC000776777043 1304197853 /nfs/dbraw/zinc/19/78/53/1304197853.db2.gz UMCIFDSSNMZWDN-UHFFFAOYSA-N -1 0 330.315 3.147 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cc(C)n([C@@H](C)CC)n1 ZINC000778295662 1304432325 /nfs/dbraw/zinc/43/23/25/1304432325.db2.gz RUSOUVQXQIWLCT-ZFWWWQNUSA-N -1 0 332.448 3.182 20 30 EGEDRM CCCCCC[C@H](C)C(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC000779318055 1304555197 /nfs/dbraw/zinc/55/51/97/1304555197.db2.gz MHCVAUUMAVWEPA-AWEZNQCLSA-N -1 0 328.478 3.123 20 30 EGEDRM Cc1ccc(C(=O)/C=C\c2ccc(O)c(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000779357718 1304560865 /nfs/dbraw/zinc/56/08/65/1304560865.db2.gz KKYLTONXUUOIMX-UTCJRWHESA-N -1 0 327.292 3.203 20 30 EGEDRM CC(=NN[C@@H]1CCCOC1)c1cc(Br)cc(Cl)c1[O-] ZINC000780260657 1304666693 /nfs/dbraw/zinc/66/66/93/1304666693.db2.gz GAQOOTVKTHDALU-SNVBAGLBSA-N -1 0 347.640 3.301 20 30 EGEDRM CN1C(=O)CCc2cc(C(=O)/C=C/c3cc(C(=O)[O-])cs3)ccc21 ZINC000782207809 1304932130 /nfs/dbraw/zinc/93/21/30/1304932130.db2.gz RSGVGGZJUOKDSI-GQCTYLIASA-N -1 0 341.388 3.251 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cc(C(F)(F)F)ccn1 ZINC000892464967 1305386919 /nfs/dbraw/zinc/38/69/19/1305386919.db2.gz MMBFFWBFEDMRQT-LBPRGKRZSA-N -1 0 341.333 3.119 20 30 EGEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2ccc(Cl)s2)c1 ZINC000786549806 1305595173 /nfs/dbraw/zinc/59/51/73/1305595173.db2.gz LGHWAINTSVYZGZ-GFCCVEGCSA-N -1 0 332.812 3.349 20 30 EGEDRM Cc1ccsc1C([O-])=C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786547284 1305595318 /nfs/dbraw/zinc/59/53/18/1305595318.db2.gz PMTVDCJZUWOGML-CYBMUJFWSA-N -1 0 332.812 3.349 20 30 EGEDRM Cc1cc(C)cc(C([O-])=C(C#N)C(=O)NCc2ccc(F)c(F)c2)c1 ZINC000786573021 1305602408 /nfs/dbraw/zinc/60/24/08/1305602408.db2.gz UBDRJKDNXPSLMO-OAHLLOKOSA-N -1 0 342.345 3.221 20 30 EGEDRM O=C([O-])C(F)(F)Oc1ccc(/C=C\C(=O)c2cncs2)cc1 ZINC000787172799 1305700741 /nfs/dbraw/zinc/70/07/41/1305700741.db2.gz POTHDQMRGJCFAT-UTCJRWHESA-N -1 0 325.292 3.095 20 30 EGEDRM C#CCOc1ccccc1[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000790067255 1306255843 /nfs/dbraw/zinc/25/58/43/1306255843.db2.gz BPFZWCUAJDBCHF-UHFFFAOYSA-N -1 0 339.775 3.292 20 30 EGEDRM COCCN(C)c1ccc(/C=C\C(=O)c2cc(F)cc(F)c2[O-])cn1 ZINC000790221810 1306277954 /nfs/dbraw/zinc/27/79/54/1306277954.db2.gz GTEJGXIURJDQED-HYXAFXHYSA-N -1 0 348.349 3.044 20 30 EGEDRM C[C@H](Oc1cccc(CN=Nc2cccc(F)c2[N+](=O)[O-])c1)C(=O)[O-] ZINC000790310672 1306298222 /nfs/dbraw/zinc/29/82/22/1306298222.db2.gz JZFQCGJYLUITFE-JTQLQIEISA-N -1 0 347.302 3.032 20 30 EGEDRM C=CCC1(C(=O)[N-]S(=O)(=O)c2cccc3ccccc32)CCC1 ZINC000791886970 1309082471 /nfs/dbraw/zinc/08/24/71/1309082471.db2.gz GOUFCPHKRQDEKJ-UHFFFAOYSA-N -1 0 329.421 3.391 20 30 EGEDRM N#CC(=C([O-])C1=Cc2cc(F)ccc2OC1)c1cnc2ccccc2n1 ZINC000792108018 1309121069 /nfs/dbraw/zinc/12/10/69/1309121069.db2.gz BHDDTHOPKCXHCF-HNNXBMFYSA-N -1 0 345.333 3.421 20 30 EGEDRM CC[C@@H](NN=Cc1cn(-c2ccc(C)cc2)nc1C(C)(C)C)C(=O)[O-] ZINC000793056723 1309288610 /nfs/dbraw/zinc/28/86/10/1309288610.db2.gz JWSVPJLQYVOSSJ-MRXNPFEDSA-N -1 0 342.443 3.265 20 30 EGEDRM CC[C@@H](NN=C1CCCOc2c(Cl)c(Cl)ccc21)C(=O)[O-] ZINC000793070466 1309290940 /nfs/dbraw/zinc/29/09/40/1309290940.db2.gz BGXMTSDOUVYVET-SNVBAGLBSA-N -1 0 331.199 3.323 20 30 EGEDRM CC[C@@H](NN=C1CCC(O)(c2ccc(C(C)C)cc2)CC1)C(=O)[O-] ZINC000793070741 1309291108 /nfs/dbraw/zinc/29/11/08/1309291108.db2.gz DIUQLWGBEFRANI-DUSLRRAJSA-N -1 0 332.444 3.380 20 30 EGEDRM COc1cc(C=NNCC2(C)CCCC2)ccc1OCCC(=O)[O-] ZINC000793083678 1309292798 /nfs/dbraw/zinc/29/27/98/1309292798.db2.gz DVWUGSWQDUXMPY-UHFFFAOYSA-N -1 0 334.416 3.053 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1N=NCc1cn(C)c2ccc(F)cc12 ZINC000794858027 1309610122 /nfs/dbraw/zinc/61/01/22/1309610122.db2.gz QJPNJEOPTFFXEN-UHFFFAOYSA-N -1 0 341.342 3.470 20 30 EGEDRM CC(C)n1nccc1/C=C\C(=O)c1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000794935401 1309626095 /nfs/dbraw/zinc/62/60/95/1309626095.db2.gz QRJYBHJHBXSTLY-WSROAFLRSA-N -1 0 328.368 3.212 20 30 EGEDRM CC(C)NC(=O)C(C#N)=C([O-])c1ccc2nc(-c3ccccc3)oc2c1 ZINC000796630419 1310050719 /nfs/dbraw/zinc/05/07/19/1310050719.db2.gz OXIWVJGWLWDSMT-HNNXBMFYSA-N -1 0 347.374 3.342 20 30 EGEDRM CC(C)(C#N)c1ccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)cc1 ZINC000796635023 1310052297 /nfs/dbraw/zinc/05/22/97/1310052297.db2.gz WSZXSGKWFBRSLA-KRWDZBQOSA-N -1 0 337.423 3.259 20 30 EGEDRM CC(C)(C#N)c1ccc(C(=O)[N-]S(=O)(=O)CC2CCCCC2)cc1 ZINC000796674952 1310061291 /nfs/dbraw/zinc/06/12/91/1310061291.db2.gz SWCLVBNAOOHBOP-UHFFFAOYSA-N -1 0 348.468 3.128 20 30 EGEDRM C=CCC(C)(C)C(=O)[N-]S(=O)(=O)C1CCC(C(F)(F)F)CC1 ZINC000797273211 1310165700 /nfs/dbraw/zinc/16/57/00/1310165700.db2.gz USOYWRNMNLCZKS-UHFFFAOYSA-N -1 0 341.395 3.156 20 30 EGEDRM COC(=O)c1cccc(COC(=O)c2cc([S-])ccc2F)c1C#N ZINC000798724407 1310430218 /nfs/dbraw/zinc/43/02/18/1310430218.db2.gz NHDGCOMYQVUUBE-UHFFFAOYSA-N -1 0 345.351 3.130 20 30 EGEDRM CCc1cccc(C)c1NN=Cc1ccc(OC)cc1OCC(=O)[O-] ZINC000799494236 1310562078 /nfs/dbraw/zinc/56/20/78/1310562078.db2.gz FSXAUBFDGAISIY-UHFFFAOYSA-N -1 0 342.395 3.475 20 30 EGEDRM CC(N=Nc1ncc(Cl)cn1)c1cccc(OCCCC(=O)[O-])c1 ZINC000857220593 1328524836 /nfs/dbraw/zinc/52/48/36/1328524836.db2.gz LGPBBVPLZBJLIW-UHFFFAOYSA-N -1 0 348.790 3.210 20 30 EGEDRM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1coc(C2CC2)n1 ZINC000802041088 1316976012 /nfs/dbraw/zinc/97/60/12/1316976012.db2.gz VXEFPQLGPDXNMD-LBPRGKRZSA-N -1 0 329.743 3.167 20 30 EGEDRM C=CCC[C@H](NC(=O)Nc1ccc(N2CCCC2)cc1C)C(=O)[O-] ZINC000900324801 1317272969 /nfs/dbraw/zinc/27/29/69/1317272969.db2.gz ZXEMMDGZSDYAKV-INIZCTEOSA-N -1 0 331.416 3.136 20 30 EGEDRM C#CCN(Cc1ccccc1)C(=O)c1cccc(Br)c1[O-] ZINC000804837175 1317291480 /nfs/dbraw/zinc/29/14/80/1317291480.db2.gz AGWCHPIWDDAZJN-UHFFFAOYSA-N -1 0 344.208 3.430 20 30 EGEDRM CCCCCCCOc1ccc(CN2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000901490290 1317435621 /nfs/dbraw/zinc/43/56/21/1317435621.db2.gz NGPXDWRMFQUSMX-GOSISDBHSA-N -1 0 335.444 3.321 20 30 EGEDRM CC(C)(C)c1ccc(S(=O)(=O)[N-]C(=O)CCCCCC#N)s1 ZINC000805901153 1317436549 /nfs/dbraw/zinc/43/65/49/1317436549.db2.gz ALASTKDVAMKFIA-UHFFFAOYSA-N -1 0 342.486 3.325 20 30 EGEDRM Cc1nc(/C=C\C(=O)c2cc(C(=O)[O-])ccc2OC(C)C)[nH]c1C ZINC000901543453 1317443710 /nfs/dbraw/zinc/44/37/10/1317443710.db2.gz YXKAMIPBLVRIBW-VURMDHGXSA-N -1 0 328.368 3.408 20 30 EGEDRM C=CCC[C@@H](NCc1nc2cc(Br)ccc2o1)C(=O)[O-] ZINC000901690215 1317463754 /nfs/dbraw/zinc/46/37/54/1317463754.db2.gz LRBGSDWZICWUMG-SNVBAGLBSA-N -1 0 339.189 3.099 20 30 EGEDRM Cc1nn(C)c2sc(C(=O)/C=C\c3cc([O-])ccc3[N+](=O)[O-])cc12 ZINC000806578953 1317506193 /nfs/dbraw/zinc/50/61/93/1317506193.db2.gz QEGSMEIWXFTVPT-UTCJRWHESA-N -1 0 343.364 3.453 20 30 EGEDRM C=CCCN(OCc1ccccc1)C(=O)C(=O)c1ccc(O)cc1 ZINC000807330578 1317562820 /nfs/dbraw/zinc/56/28/20/1317562820.db2.gz GDQSDJHIEMFQKO-UHFFFAOYSA-N -1 0 325.364 3.111 20 30 EGEDRM CCO[C@H]1CC(N=Nc2ccc(Cl)c(C(=O)[O-])c2)[C@@H]1SC ZINC000807943433 1317603000 /nfs/dbraw/zinc/60/30/00/1317603000.db2.gz GAPOZHXBGCJFQJ-STQMWFEESA-N -1 0 328.821 3.347 20 30 EGEDRM Cc1cc([N+](=O)[O-])ccc1NN=Cc1ccc(OCCC(=O)[O-])cc1 ZINC000807990816 1317608121 /nfs/dbraw/zinc/60/81/21/1317608121.db2.gz NDKDFTJGHUDSML-UHFFFAOYSA-N -1 0 343.339 3.203 20 30 EGEDRM Cc1cccc(S(=O)(=O)[N-]c2cc(C3CCCC3)nn2C)c1C#N ZINC000903108127 1317654382 /nfs/dbraw/zinc/65/43/82/1317654382.db2.gz NDAKSQYUPHQLHB-UHFFFAOYSA-N -1 0 344.440 3.059 20 30 EGEDRM C[C@@](CC(=O)[O-])(C(=O)NCc1cc(C#N)ccc1F)C1CCCCC1 ZINC000905129652 1317926300 /nfs/dbraw/zinc/92/63/00/1317926300.db2.gz VPTCOIIBPHATEY-IBGZPJMESA-N -1 0 346.402 3.375 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)/C(C)=C\c2ccc(Cl)cc2)CC1 ZINC000810984508 1318086324 /nfs/dbraw/zinc/08/63/24/1318086324.db2.gz DCENMORFLQKNIP-QXMHVHEDSA-N -1 0 339.844 3.298 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2ccccc2SC(C)C)CC1 ZINC000810983001 1318086945 /nfs/dbraw/zinc/08/69/45/1318086945.db2.gz CRURAUXJWBDOFJ-UHFFFAOYSA-N -1 0 339.482 3.355 20 30 EGEDRM O=C([O-])c1csc(/C=C/C(=O)c2ccc(Br)nc2)c1 ZINC000811697048 1318229805 /nfs/dbraw/zinc/22/98/05/1318229805.db2.gz QNQPQBHJGRRRFL-NSCUHMNNSA-N -1 0 338.182 3.500 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2cnc(Cl)cc2C#N)sc1C ZINC000811830290 1318275938 /nfs/dbraw/zinc/27/59/38/1318275938.db2.gz HZHZSKKFWQEVII-UHFFFAOYSA-N -1 0 327.818 3.086 20 30 EGEDRM CC(=NOCCOC(C)C)c1cc(Br)cc(F)c1[O-] ZINC000812237564 1318349741 /nfs/dbraw/zinc/34/97/41/1318349741.db2.gz GNYLOXRSILAOGW-UHFFFAOYSA-N -1 0 334.185 3.459 20 30 EGEDRM C#CCC1(C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)CCCCC1 ZINC000909450105 1318475422 /nfs/dbraw/zinc/47/54/22/1318475422.db2.gz JCQNYCXEPRSQRS-UHFFFAOYSA-N -1 0 325.408 3.243 20 30 EGEDRM CC(=NNC(=S)Nc1ccccc1C)c1cc(C(=O)[O-])cs1 ZINC000814712831 1318802780 /nfs/dbraw/zinc/80/27/80/1318802780.db2.gz OQMJYTKRVVTMRB-UHFFFAOYSA-N -1 0 333.438 3.465 20 30 EGEDRM COc1ccc(NC(=S)NN=C(C)c2csc(C(=O)[O-])c2)cc1 ZINC000814717518 1318804250 /nfs/dbraw/zinc/80/42/50/1318804250.db2.gz LAOOSIQPPVBHFP-UHFFFAOYSA-N -1 0 349.437 3.166 20 30 EGEDRM C[C@H]1C(=NNC(=S)N[C@H]2CCC[C@@H](C)[C@H]2C)CC[C@@H]1CC(=O)[O-] ZINC000814758406 1318811199 /nfs/dbraw/zinc/81/11/99/1318811199.db2.gz AJBSVAPKBKLUAE-KSTCHIGDSA-N -1 0 339.505 3.152 20 30 EGEDRM O=C([O-])c1cccc(C=NNCCCOc2ccccc2)c1Cl ZINC000814838269 1318827778 /nfs/dbraw/zinc/82/77/78/1318827778.db2.gz GZRIYPIJZQVAHB-UHFFFAOYSA-N -1 0 332.787 3.431 20 30 EGEDRM Cc1ccnc(N=NC(C)c2cccc(OCCCC(=O)[O-])c2)c1 ZINC000814868542 1318834730 /nfs/dbraw/zinc/83/47/30/1318834730.db2.gz XBZRNWXLCPJZPH-UHFFFAOYSA-N -1 0 327.384 3.470 20 30 EGEDRM COc1ccc(NN=C(C)c2cccc(O[C@@H](C)C(=O)[O-])c2)cc1 ZINC000814885378 1318837936 /nfs/dbraw/zinc/83/79/36/1318837936.db2.gz XPAGSJYFGCYXGL-ZDUSSCGKSA-N -1 0 328.368 3.383 20 30 EGEDRM CC[C@@H](NN=C1CCCc2sc(Br)cc21)C(=O)[O-] ZINC000814936818 1318854255 /nfs/dbraw/zinc/85/42/55/1318854255.db2.gz KZCFCDZIPUTJBG-MRVPVSSYSA-N -1 0 331.235 3.004 20 30 EGEDRM Cc1ccc2c(c1)oc(C(C)N=Nc1ncncc1F)c2CC(=O)[O-] ZINC000814939826 1318856312 /nfs/dbraw/zinc/85/63/12/1318856312.db2.gz FRUVSPDMNADZLC-UHFFFAOYSA-N -1 0 342.330 3.134 20 30 EGEDRM CCOc1ccc(NN=Cc2ccc(O[C@H](C)C(=O)[O-])cc2)cc1 ZINC000814984951 1318863340 /nfs/dbraw/zinc/86/33/40/1318863340.db2.gz NBLRUMLHYNRMCI-CYBMUJFWSA-N -1 0 328.368 3.383 20 30 EGEDRM CCCCc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000916177081 1319617040 /nfs/dbraw/zinc/61/70/40/1319617040.db2.gz MSOLSTROWJGHOI-UHFFFAOYSA-N -1 0 342.420 3.020 20 30 EGEDRM O=c1c2ccccc2ncn1N=Cc1cc(Cl)cc(Cl)c1[O-] ZINC000916369662 1319645175 /nfs/dbraw/zinc/64/51/75/1319645175.db2.gz IPTOSVOFRSKDQP-UHFFFAOYSA-N -1 0 334.162 3.291 20 30 EGEDRM CC(C)OCc1ccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)cc1 ZINC000916895174 1319721710 /nfs/dbraw/zinc/72/17/10/1319721710.db2.gz GJHCFQYAWHPHDC-SFHVURJKSA-N -1 0 342.439 3.383 20 30 EGEDRM N#Cc1ccccc1C=CC(=O)Nc1c(=O)[nH][n-]c1-c1ccccc1 ZINC000820465234 1319894499 /nfs/dbraw/zinc/89/44/99/1319894499.db2.gz JDQQFVDGVUOSQT-ZHACJKMWSA-N -1 0 330.347 3.306 20 30 EGEDRM CCC[C@@H]1CCC[C@H]1C(=O)OCC([O-])=C(C#N)c1nc(C)cs1 ZINC000837831712 1320691308 /nfs/dbraw/zinc/69/13/08/1320691308.db2.gz HHBVRSYJVXYWSR-MGPQQGTHSA-N -1 0 334.441 3.387 20 30 EGEDRM O=C1[C@H](/N=C\c2cc(Cl)cc(Cl)c2[O-])C[C@@H]2CCCCN12 ZINC000840708486 1321132176 /nfs/dbraw/zinc/13/21/76/1321132176.db2.gz BUNIVFQUXYEHEW-AYCGUQNHSA-N -1 0 327.211 3.271 20 30 EGEDRM C#CCCCS(=O)(=O)[N-]c1noc2ccc(C(F)(F)F)cc21 ZINC000840950262 1321184607 /nfs/dbraw/zinc/18/46/07/1321184607.db2.gz LTNYEQBLOKLSNK-UHFFFAOYSA-N -1 0 332.303 3.002 20 30 EGEDRM CC(C)=CCC[C@@H](C)CC(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC000842756349 1321428344 /nfs/dbraw/zinc/42/83/44/1321428344.db2.gz FDLJAFZEMCSMQW-OAHLLOKOSA-N -1 0 340.489 3.289 20 30 EGEDRM N#CC(=C([O-])c1coc(C2CCOCC2)n1)c1nc(C2CC2)cs1 ZINC000842944088 1321452789 /nfs/dbraw/zinc/45/27/89/1321452789.db2.gz IMFDTIGFXUNUFF-GFCCVEGCSA-N -1 0 343.408 3.393 20 30 EGEDRM CC(C)Cn1nccc1/C=C/C(=O)c1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000843268311 1321496121 /nfs/dbraw/zinc/49/61/21/1321496121.db2.gz HNRUFSSSEVAGTI-NPQIQWPPSA-N -1 0 342.395 3.287 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2coc3ccc(Cl)cc23)CC1 ZINC000845572124 1321719227 /nfs/dbraw/zinc/71/92/27/1321719227.db2.gz OAYZMPYGGKHVFW-UHFFFAOYSA-N -1 0 339.800 3.255 20 30 EGEDRM C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccc(OCC2CCCCC2)cc1 ZINC000846152882 1321771897 /nfs/dbraw/zinc/77/18/97/1321771897.db2.gz CEGNJXWCVHIOSC-AWEZNQCLSA-N -1 0 346.427 3.207 20 30 EGEDRM C=C[C@H](C)O[N-]C(=O)C1(c2cc(Br)ccc2OC)CC1 ZINC000846554256 1321793322 /nfs/dbraw/zinc/79/33/22/1321793322.db2.gz JBOXFNZVCAQXLW-JTQLQIEISA-N -1 0 340.217 3.112 20 30 EGEDRM CC1(C)OCc2cc(C=NNc3ccc(CC(=O)[O-])cc3)ccc2O1 ZINC000848414979 1321958606 /nfs/dbraw/zinc/95/86/06/1321958606.db2.gz UROSLTYUZRRYRU-UHFFFAOYSA-N -1 0 340.379 3.405 20 30 EGEDRM C[C@H](Oc1cccc(C(=O)/C=C/c2c(C3CC3)cnn2C)c1)C(=O)[O-] ZINC000849245335 1322100960 /nfs/dbraw/zinc/10/09/60/1322100960.db2.gz HEWKEXFQBNVCJI-BCPZQOPPSA-N -1 0 340.379 3.046 20 30 EGEDRM CC(C)(C)c1nc(C=Nn2c(=O)c3ccccc3[n-]c2=S)cs1 ZINC000920370192 1322168835 /nfs/dbraw/zinc/16/88/35/1322168835.db2.gz FDBUBPOUKUGDON-UHFFFAOYSA-N -1 0 344.465 3.321 20 30 EGEDRM COc1cc(/C=C2/Cc3c(cccc3F)C2=O)ccc1OCC(=O)[O-] ZINC000921267101 1322281941 /nfs/dbraw/zinc/28/19/41/1322281941.db2.gz XGQHGGYNTNZIDM-GHXNOFRVSA-N -1 0 342.322 3.120 20 30 EGEDRM N#CCCCC(=O)O[C@@H]1C[C@@H]([N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000851179079 1322346202 /nfs/dbraw/zinc/34/62/02/1322346202.db2.gz PEEYDGQVDKREJU-CHWSQXEVSA-N -1 0 340.301 3.088 20 30 EGEDRM N#Cc1ncc(C(F)(F)F)cc1N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000852910079 1323252046 /nfs/dbraw/zinc/25/20/46/1323252046.db2.gz MELGVPCGFUUZGP-JTQLQIEISA-N -1 0 327.306 3.053 20 30 EGEDRM CCCCCCCCC(=O)[N-]S(=O)(=O)c1csnc1Cl ZINC000861395237 1329415710 /nfs/dbraw/zinc/41/57/10/1329415710.db2.gz JTWWAAYTOBLBGE-UHFFFAOYSA-N -1 0 338.882 3.352 20 30 EGEDRM CCCOCSc1nc(-c2ccc(OC)cc2)c(C#N)c(=O)[n-]1 ZINC000863276353 1329543425 /nfs/dbraw/zinc/54/34/25/1329543425.db2.gz AJHXWFVJVXLWIC-UHFFFAOYSA-N -1 0 331.397 3.206 20 30 EGEDRM O=C([O-])/C=C/c1ccc(/C=C2\S/C(=N/C3CCCC3)NC2=O)cc1 ZINC000865214902 1329676533 /nfs/dbraw/zinc/67/65/33/1329676533.db2.gz GHHICRBOHPTBFX-RKVFCIRRSA-N -1 0 342.420 3.287 20 30 EGEDRM O=C(/C=C/c1cn(C[C@H]2CCCO2)nn1)c1ccc2ccccc2c1[O-] ZINC000865221414 1329677083 /nfs/dbraw/zinc/67/70/83/1329677083.db2.gz YAWQTLRJNQSKSM-XAVKZTDYSA-N -1 0 349.390 3.212 20 30 EGEDRM CC(C)C[C@@H](CC(=O)OC(C)(C)C)NC(=O)CCC(=O)C1=CC=C[CH]1 ZINC001184246341 1387419463 /nfs/dbraw/zinc/41/94/63/1387419463.db2.gz QEAIYZLYPGVOMT-INIZCTEOSA-N -1 0 348.463 3.299 20 30 EGEDRM N#CCN(Cc1ccccc1)C(=O)C=C([O-])c1ccccc1Cl ZINC001185436690 1387717233 /nfs/dbraw/zinc/71/72/33/1387717233.db2.gz UYRJAQOZZQYXCQ-UHFFFAOYSA-N -1 0 326.783 3.465 20 30 EGEDRM N#Cc1cc([N-]S(=O)(=O)c2cc3ccccc3s2)c(O)cc1F ZINC001185463431 1387722067 /nfs/dbraw/zinc/72/20/67/1387722067.db2.gz ZFPHDBWGXLTLKC-UHFFFAOYSA-N -1 0 348.380 3.418 20 30 EGEDRM Cc1c(F)cccc1S(=O)(=O)[N-]c1cc(F)c(C#N)c(F)c1 ZINC001185837397 1387811352 /nfs/dbraw/zinc/81/13/52/1387811352.db2.gz ZSQSDEQBYYVZSC-UHFFFAOYSA-N -1 0 326.299 3.085 20 30 EGEDRM N#Cc1cc(F)c([N-]S(=O)(=O)c2cc(F)cc(F)c2F)cc1F ZINC001190388331 1367248894 /nfs/dbraw/zinc/24/88/94/1367248894.db2.gz UXDYPFTXJRWMSC-UHFFFAOYSA-N -1 0 348.252 3.055 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2ccccc2C(F)F)c1 ZINC001190648731 1367316745 /nfs/dbraw/zinc/31/67/45/1367316745.db2.gz YTRWGPRXPQZNOZ-UHFFFAOYSA-N -1 0 326.299 3.436 20 30 EGEDRM N#Cc1cc(NC(=O)c2csc(N3CCCCC3)n2)c([O-])cc1F ZINC001190668624 1367323251 /nfs/dbraw/zinc/32/32/51/1367323251.db2.gz FDSVTFGRLPMCHS-UHFFFAOYSA-N -1 0 346.387 3.102 20 30 EGEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccnc(C3CC3)c2)c1 ZINC001190942360 1367387364 /nfs/dbraw/zinc/38/73/64/1367387364.db2.gz FBSLZBIBCXIXLP-UHFFFAOYSA-N -1 0 333.800 3.285 20 30 EGEDRM Cc1ncc(C(=O)Nc2ccc3[n-]c(=S)sc3c2)cc1C#N ZINC001192294077 1367741588 /nfs/dbraw/zinc/74/15/88/1367741588.db2.gz QNLGUAYOESAWBA-UHFFFAOYSA-N -1 0 326.406 3.412 20 30 EGEDRM NC(=NC(=O)c1c([O-])ccc(F)c1F)c1ccc2cc(O)ccc2c1 ZINC001192788014 1367874015 /nfs/dbraw/zinc/87/40/15/1367874015.db2.gz YTHXMABSYMRCOB-UHFFFAOYSA-N -1 0 342.301 3.075 20 30 EGEDRM N#Cc1cccc(Cl)c1[N-]S(=O)(=O)c1cnccc1Cl ZINC001192893768 1367898297 /nfs/dbraw/zinc/89/82/97/1367898297.db2.gz HDCYYCISUUSKHG-UHFFFAOYSA-N -1 0 328.180 3.061 20 30 EGEDRM C[C@H](C#N)S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1C(F)(F)F ZINC001193145988 1367953103 /nfs/dbraw/zinc/95/31/03/1367953103.db2.gz DSCHWOBAGBJXTD-ZCFIWIBFSA-N -1 0 346.252 3.378 20 30 EGEDRM C[C@@H](C#N)S(=O)(=O)[N-][C@@H](c1cccc2ccccc21)C(F)(F)F ZINC001193194640 1367962309 /nfs/dbraw/zinc/96/23/09/1367962309.db2.gz VCSQSXPKZULDFU-HZMBPMFUSA-N -1 0 342.342 3.275 20 30 EGEDRM N#Cc1cc(C(=O)NCCc2ccccc2C(F)(F)F)ccc1[O-] ZINC001193515517 1368051564 /nfs/dbraw/zinc/05/15/64/1368051564.db2.gz OAFRQYAUINMTAH-UHFFFAOYSA-N -1 0 334.297 3.255 20 30 EGEDRM N#Cc1ccc(NC(=O)c2cccc(C#N)c2[O-])c(OC(F)(F)F)c1 ZINC001193646984 1368082587 /nfs/dbraw/zinc/08/25/87/1368082587.db2.gz RVCHNCLBFWPFDX-UHFFFAOYSA-N -1 0 347.252 3.286 20 30 EGEDRM N#Cc1cccc(C(=O)N[C@H]2CCc3[nH]c4ccccc4c3C2)c1[O-] ZINC001193657862 1368086544 /nfs/dbraw/zinc/08/65/44/1368086544.db2.gz JDXREXWRDQEWSI-ZDUSSCGKSA-N -1 0 331.375 3.032 20 30 EGEDRM COc1ccc(CC2(NC(=O)c3cccc(C#N)c3[O-])CCC2)cc1 ZINC001193658615 1368086694 /nfs/dbraw/zinc/08/66/94/1368086694.db2.gz BPAWNEFSDUUPHJ-UHFFFAOYSA-N -1 0 336.391 3.168 20 30 EGEDRM Cc1csc([N-]S(=O)(=O)Cc2noc3ccccc32)c1C#N ZINC001194044015 1368172733 /nfs/dbraw/zinc/17/27/33/1368172733.db2.gz KNAWVZIKQQEEGM-UHFFFAOYSA-N -1 0 333.394 3.011 20 30 EGEDRM Cc1cccc(C)c1S(=O)(=O)[N-]c1ccc(C(C)(C)C#N)nc1 ZINC001194606211 1368296010 /nfs/dbraw/zinc/29/60/10/1368296010.db2.gz XOPYLSAFVKZZGW-UHFFFAOYSA-N -1 0 329.425 3.300 20 30 EGEDRM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(F)c2C#N)c(C)c1C ZINC001194863916 1368337483 /nfs/dbraw/zinc/33/74/83/1368337483.db2.gz JCHSOPBLKFSVEL-UHFFFAOYSA-N -1 0 348.399 3.432 20 30 EGEDRM CCN(C(=O)c1ccc(C#N)cc1[O-])[C@H](C)Cc1ccc(OC)cc1 ZINC001195733155 1368479526 /nfs/dbraw/zinc/47/95/26/1368479526.db2.gz AZISGNUYLDSPBR-CQSZACIVSA-N -1 0 338.407 3.366 20 30 EGEDRM CC(=O)c1ccc(NC(=S)Nc2ccc(C(=O)[O-])cc2)c(C#N)c1 ZINC001197115648 1368747418 /nfs/dbraw/zinc/74/74/18/1368747418.db2.gz LDKLFNZLUTXKPV-UHFFFAOYSA-N -1 0 339.376 3.268 20 30 EGEDRM N#Cc1ccsc1[N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC001197643348 1368862427 /nfs/dbraw/zinc/86/24/27/1368862427.db2.gz XGLBQYXXZOTYET-UHFFFAOYSA-N -1 0 330.793 3.354 20 30 EGEDRM C=CS(=O)(=O)[N-]c1cc(OC)c(OCc2ccccc2)cc1C#N ZINC001198621065 1369075677 /nfs/dbraw/zinc/07/56/77/1369075677.db2.gz RDUKCJGTQUHESR-UHFFFAOYSA-N -1 0 344.392 3.031 20 30 EGEDRM CCCOc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C#N)c1 ZINC001201322617 1369520131 /nfs/dbraw/zinc/52/01/31/1369520131.db2.gz PMIIOUDWZVSFIV-UHFFFAOYSA-N -1 0 330.409 3.456 20 30 EGEDRM CCCCCCCCCCS(=O)(=O)[N-]c1cn(C)nc1OC ZINC001201831594 1369630026 /nfs/dbraw/zinc/63/00/26/1369630026.db2.gz SRBNKXPYCDTOTO-UHFFFAOYSA-N -1 0 331.482 3.311 20 30 EGEDRM CCOc1cc(-c2noc(CCC(=O)C3=CC=C[CH]3)n2)ccc1OC ZINC001204656313 1370537957 /nfs/dbraw/zinc/53/79/57/1370537957.db2.gz JZUIMTAIMVMCFS-UHFFFAOYSA-N -1 0 339.371 3.346 20 30 EGEDRM O=C([O-])c1nnc(-c2c(F)cc(F)c(F)c2F)cc1C(F)(F)F ZINC001205167439 1370668093 /nfs/dbraw/zinc/66/80/93/1370668093.db2.gz FWJNXZQEOHFGFN-UHFFFAOYSA-N -1 0 340.154 3.417 20 30 EGEDRM C=CC[C@H](NC(=O)c1cc(-c2ccccn2)ccc1Cl)C(=O)[O-] ZINC001116922408 1371001087 /nfs/dbraw/zinc/00/10/87/1371001087.db2.gz SANJFPWFSSZMPQ-HNNXBMFYSA-N -1 0 330.771 3.161 20 30 EGEDRM N#Cc1nc(-c2csc(C(=O)[O-])c2)c(-c2ccccc2)nc1C#N ZINC001206264617 1371008064 /nfs/dbraw/zinc/00/80/64/1371008064.db2.gz ACVSILKNUNLETA-UHFFFAOYSA-N -1 0 332.344 3.314 20 30 EGEDRM C=CC[C@H](NC(=O)/C=C/c1ccc2cc(OC)ccc2c1)C(=O)[O-] ZINC001119636112 1371380791 /nfs/dbraw/zinc/38/07/91/1371380791.db2.gz ZDAYWLNXQQDYFB-BHMZLHOFSA-N -1 0 325.364 3.007 20 30 EGEDRM COC(=O)c1cc(Nc2cc(C(=O)[O-])cc(F)c2C)ccc1C#N ZINC001210011296 1372255002 /nfs/dbraw/zinc/25/50/02/1372255002.db2.gz VGCRMJIOODQFQE-UHFFFAOYSA-N -1 0 328.299 3.234 20 30 EGEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1nsc2ccccc21 ZINC001122541482 1372270405 /nfs/dbraw/zinc/27/04/05/1372270405.db2.gz SYBDXLNTUFCLGI-ZDUSSCGKSA-N -1 0 327.409 3.068 20 30 EGEDRM COc1cccc(Nc2ccc(S(=O)(=O)[O-])cc2Cl)c1C#N ZINC001210127364 1372276751 /nfs/dbraw/zinc/27/67/51/1372276751.db2.gz ZRBKVVRITSURTQ-UHFFFAOYSA-N -1 0 338.772 3.211 20 30 EGEDRM Cc1cc(C#N)ccc1[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC001187925659 1388192068 /nfs/dbraw/zinc/19/20/68/1388192068.db2.gz PSLXWMBYJHARKD-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM COc1ccc(Nc2cc(Cl)cc(C#N)c2)c(S(=O)(=O)[O-])c1 ZINC001210539365 1372374651 /nfs/dbraw/zinc/37/46/51/1372374651.db2.gz XUOZZASRWFBOMH-UHFFFAOYSA-N -1 0 338.772 3.211 20 30 EGEDRM CCc1cc(C([O-])=C(C#N)c2nc3c(cccc3Cl)[nH]2)nn1C ZINC001123344640 1372434939 /nfs/dbraw/zinc/43/49/39/1372434939.db2.gz BLSYFDAIECTXAN-SNVBAGLBSA-N -1 0 327.775 3.002 20 30 EGEDRM CCCCCCCCS(=O)(=O)[N-]c1cc2nc(C)cc(C)n2n1 ZINC001187994770 1388207822 /nfs/dbraw/zinc/20/78/22/1388207822.db2.gz RLMDTSUWGYTLNX-UHFFFAOYSA-N -1 0 338.477 3.448 20 30 EGEDRM COC(=O)c1sc(Nc2ccc(C(=O)[O-])c(C)c2)c(C#N)c1C ZINC001211648115 1372595368 /nfs/dbraw/zinc/59/53/68/1372595368.db2.gz SCHXFUYGJDIFBQ-UHFFFAOYSA-N -1 0 330.365 3.465 20 30 EGEDRM CCCCCCCCS(=O)(=O)[N-]c1cccc(F)c1C(N)=O ZINC001188012612 1388214574 /nfs/dbraw/zinc/21/45/74/1388214574.db2.gz DUTIUFFXJLLCQN-UHFFFAOYSA-N -1 0 330.425 3.027 20 30 EGEDRM Cc1ccc(C#N)c([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)c1 ZINC001188034897 1388224018 /nfs/dbraw/zinc/22/40/18/1388224018.db2.gz UBEYMSUYPUTBBR-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM N#CC1(c2cccc(Nc3nc[n-]c(=O)c3Br)c2)CC1 ZINC001213318381 1372882001 /nfs/dbraw/zinc/88/20/01/1372882001.db2.gz STPUPYCCTIUUQC-UHFFFAOYSA-N -1 0 331.173 3.243 20 30 EGEDRM N#Cc1ccc(-c2ccc(-c3noc(-c4cc(=O)[nH][n-]4)n3)cc2)cc1 ZINC001213316617 1372882217 /nfs/dbraw/zinc/88/22/17/1372882217.db2.gz TXXBKFIPJSQZME-UHFFFAOYSA-N -1 0 329.319 3.371 20 30 EGEDRM CN(C(=O)c1c[n-]c2ccccc2c1=O)c1cc(Cl)ccc1C#N ZINC001126864134 1373042898 /nfs/dbraw/zinc/04/28/98/1373042898.db2.gz QHGGWJDCSMJDLE-UHFFFAOYSA-N -1 0 337.766 3.330 20 30 EGEDRM N#Cc1cccc2c1c(N)nn2-c1c(Cl)cc(C(=O)[O-])cc1Cl ZINC001214512034 1373071861 /nfs/dbraw/zinc/07/18/61/1373071861.db2.gz PZZFRCBKFJEKQC-UHFFFAOYSA-N -1 0 347.161 3.484 20 30 EGEDRM Cc1c(Cl)c(Nc2c(C#N)cnc3ccnn32)ccc1C(=O)[O-] ZINC001215690099 1373231859 /nfs/dbraw/zinc/23/18/59/1373231859.db2.gz AARCWBMXQJDMGS-UHFFFAOYSA-N -1 0 327.731 3.005 20 30 EGEDRM COc1c(F)cc(-c2noc(-c3cccc(C#N)c3[O-])n2)cc1F ZINC001216980201 1373374419 /nfs/dbraw/zinc/37/44/19/1373374419.db2.gz VAHJHWZHYYYALH-UHFFFAOYSA-N -1 0 329.262 3.268 20 30 EGEDRM N#Cc1cccc(-c2nc(-c3ccc(C(F)(F)F)cn3)no2)c1[O-] ZINC001216980221 1373375000 /nfs/dbraw/zinc/37/50/00/1373375000.db2.gz VVYRBHIRNIDQTB-UHFFFAOYSA-N -1 0 332.241 3.395 20 30 EGEDRM CC1(C)CC(=O)CC[C@H]1Oc1[n-]c(=O)cc(C(F)(F)F)c1C#N ZINC001226064746 1375198524 /nfs/dbraw/zinc/19/85/24/1375198524.db2.gz PFORPWILNNTLMF-LLVKDONJSA-N -1 0 328.290 3.204 20 30 EGEDRM C=C(C)[C@@H]1CC[C@H](C)C[C@@H]1Oc1ccc(O)cc1S(=O)(=O)[O-] ZINC001226413483 1375256416 /nfs/dbraw/zinc/25/64/16/1375256416.db2.gz QVQIIXOJRGTSRA-WHOFXGATSA-N -1 0 326.414 3.399 20 30 EGEDRM O=c1nc2nc[nH]c2c(O[C@@H](C#Cc2ccccc2)c2ccccc2)[n-]1 ZINC001227073545 1375384723 /nfs/dbraw/zinc/38/47/23/1375384723.db2.gz NSCZQTOCHJCELF-INIZCTEOSA-N -1 0 342.358 3.230 20 30 EGEDRM C=C[C@@H](CC(=O)OC(C)(C)C)Oc1n[n-]c(=O)c(Cl)c1Cl ZINC001227601788 1375450890 /nfs/dbraw/zinc/45/08/90/1375450890.db2.gz HCSWAAVZBPSYRW-ZETCQYMHSA-N -1 0 335.187 3.154 20 30 EGEDRM C[C@H](Oc1[n-]c(=O)ccc1C#N)c1ncc(C(F)(F)F)cc1F ZINC001228900237 1375709066 /nfs/dbraw/zinc/70/90/66/1375709066.db2.gz CVMONDKRBRMWHZ-ZETCQYMHSA-N -1 0 327.237 3.352 20 30 EGEDRM C#C[C@H](COc1cccc(C(F)(F)F)c1)Oc1[n-]c(=O)ccc1C#N ZINC001228901779 1375709667 /nfs/dbraw/zinc/70/96/67/1375709667.db2.gz NWLBBNKUXULIPZ-CYBMUJFWSA-N -1 0 348.280 3.137 20 30 EGEDRM C#CC(C#C)Oc1cc([O-])cc2oc(-c3ccc(OC)cc3)cc(=O)c12 ZINC001229576386 1375857088 /nfs/dbraw/zinc/85/70/88/1375857088.db2.gz OANPHXDYARHOFQ-UHFFFAOYSA-N -1 0 346.338 3.188 20 30 EGEDRM C=C1O[C@H](CC)C(=O)C1Oc1[n-]c(=O)nc2c3ccccc3oc21 ZINC001230664474 1376121141 /nfs/dbraw/zinc/12/11/41/1376121141.db2.gz REKFKULXYXKWGY-SNVBAGLBSA-N -1 0 326.308 3.070 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)CCc2ccc(Cl)cc2)c(C#N)c1 ZINC001189111044 1388461293 /nfs/dbraw/zinc/46/12/93/1388461293.db2.gz XNGFDWPCJZFSIC-UHFFFAOYSA-N -1 0 345.811 3.068 20 30 EGEDRM N#Cc1cc2c(nc1-c1cc(OC(F)(F)F)ccc1[O-])CCOC2 ZINC001244458499 1377037753 /nfs/dbraw/zinc/03/77/53/1377037753.db2.gz PALKZWOMMGDEDF-UHFFFAOYSA-N -1 0 336.269 3.297 20 30 EGEDRM O=C1C=C2CN(Cc3cc(Cl)c([O-])c(Cl)c3)CC[C@H]2S1 ZINC001140835503 1378156220 /nfs/dbraw/zinc/15/62/20/1378156220.db2.gz XNDZOLMMYRDREE-GFCCVEGCSA-N -1 0 330.236 3.473 20 30 EGEDRM N#Cc1cc(N)c(NC(=O)c2cc(Cl)cc(Cl)c2[O-])cc1C#N ZINC001148812685 1379274353 /nfs/dbraw/zinc/27/43/53/1379274353.db2.gz YJBYTBONEXVSBF-UHFFFAOYSA-N -1 0 347.161 3.277 20 30 EGEDRM COc1cc(C(=O)Nc2cc(C#N)c(F)cc2[O-])nc2ccccc21 ZINC001152336163 1379913341 /nfs/dbraw/zinc/91/33/41/1379913341.db2.gz ZUJNXCQATHQPJF-UHFFFAOYSA-N -1 0 337.310 3.212 20 30 EGEDRM Cc1ncc(C#N)cc1NC(=O)c1cc(=O)c2cc(Cl)ccc2[n-]1 ZINC001153901512 1380153300 /nfs/dbraw/zinc/15/33/00/1380153300.db2.gz NRUYEOZIICCTST-UHFFFAOYSA-N -1 0 338.754 3.009 20 30 EGEDRM Cc1ccc2ccc(C(=O)Nc3ccc(C#N)cc3C#N)c([O-])c2n1 ZINC001155660570 1380479934 /nfs/dbraw/zinc/47/99/34/1380479934.db2.gz UKIIBSVYGJKNNL-UHFFFAOYSA-N -1 0 328.331 3.244 20 30 EGEDRM N#Cc1cccc(Oc2nc(Cl)ncc2NCc2cc(=O)[n-]o2)c1 ZINC001158565238 1381302425 /nfs/dbraw/zinc/30/24/25/1381302425.db2.gz XKQBJLISBMKXJF-UHFFFAOYSA-N -1 0 343.730 3.100 20 30 EGEDRM CSc1nc(Cl)c(/C=N/[O-])c(N[C@](C)(C#N)CC(C)C)n1 ZINC001162516861 1382779269 /nfs/dbraw/zinc/77/92/69/1382779269.db2.gz OASCKDYEDKWSIV-UDRREKMYSA-N -1 0 327.841 3.400 20 30 EGEDRM C=C(C)c1ccc(NC2([P@@](=O)([O-])O)Cc3ccccc3C2)nc1 ZINC001167933677 1383772298 /nfs/dbraw/zinc/77/22/98/1383772298.db2.gz BFYCETINPFXALW-UHFFFAOYSA-N -1 0 330.324 3.199 20 30 EGEDRM COc1ncc(NC(=O)c2cc(Cl)cc(Cl)c2[O-])cc1C#N ZINC001303461325 1383799676 /nfs/dbraw/zinc/79/96/76/1383799676.db2.gz YJHCRMADNONDIS-UHFFFAOYSA-N -1 0 338.150 3.227 20 30 EGEDRM C[C@@](C#N)(Nc1cccc(S(=O)(=O)[O-])c1)c1ccccc1Cl ZINC001169387884 1384142769 /nfs/dbraw/zinc/14/27/69/1384142769.db2.gz ASLDTYUHKNPFMR-HNNXBMFYSA-N -1 0 336.800 3.438 20 30 EGEDRM N#Cc1nc(Cl)c([N-]c2c(F)cc(F)c(F)c2F)nc1C#N ZINC001176350283 1385558805 /nfs/dbraw/zinc/55/88/05/1385558805.db2.gz ZIXOOYSSYVKIDS-UHFFFAOYSA-N -1 0 327.628 3.173 20 30 EGEDRM C=CC[C@@H](NC(=O)Nc1cc(Cl)c(OC)c(Cl)c1)C(=O)[O-] ZINC001321148026 1386822273 /nfs/dbraw/zinc/82/22/73/1386822273.db2.gz GKXNBEKYJFNDEF-SNVBAGLBSA-N -1 0 333.171 3.153 20 30 EGEDRM CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(CC#N)cc1 ZINC001322287217 1387142817 /nfs/dbraw/zinc/14/28/17/1387142817.db2.gz WBGYJXTXUPWKQB-UHFFFAOYSA-N -1 0 334.372 3.091 20 30 EGEDRM C=CC[C@H](NC(=O)Nc1ccc(Cl)c(OC(F)F)c1)C(=O)[O-] ZINC001322514183 1387198700 /nfs/dbraw/zinc/19/87/00/1387198700.db2.gz PQFNQWJJCQNPKP-VIFPVBQESA-N -1 0 334.706 3.092 20 30 EGEDRM C=CCC[C@@H]1CCCN1C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC001337549573 1389384570 /nfs/dbraw/zinc/38/45/70/1389384570.db2.gz CEZNUIJOBZRGNY-CQSZACIVSA-N -1 0 329.375 3.288 20 30 EGEDRM C=CCC[C@H]1CCCN1c1nnc(-c2cccc([O-])c2[N+](=O)[O-])n1C ZINC001338301769 1389624646 /nfs/dbraw/zinc/62/46/46/1389624646.db2.gz OEQVIFISPDWUEB-LBPRGKRZSA-N -1 0 343.387 3.031 20 30 EGEDRM CCc1cccc(N(C)c2nnc(-c3c[n-]c(=O)c(C#N)c3)n2CC)c1 ZINC001340109703 1390228396 /nfs/dbraw/zinc/22/83/96/1390228396.db2.gz MRUKAMHNFCUWGZ-UHFFFAOYSA-N -1 0 348.410 3.268 20 30 EGEDRM Cc1cccc(-n2cc(O)c(C(=O)OCC3(CC#N)CC3)n2)c1C ZINC001333230371 1390269189 /nfs/dbraw/zinc/26/91/89/1390269189.db2.gz VOPIXXRSPHEKGM-UHFFFAOYSA-N -1 0 325.368 3.045 20 30 EGEDRM C=CC[C@H](Cc1ccccc1)NC(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C ZINC001340585263 1390320574 /nfs/dbraw/zinc/32/05/74/1390320574.db2.gz LOIHHFORNDTTAA-USXIJHARSA-N -1 0 330.428 3.069 20 30 EGEDRM Cn1ccc2c1cccc2C([O-])=C(C#N)c1nc(N)c2ccccc2n1 ZINC001343445230 1390714468 /nfs/dbraw/zinc/71/44/68/1390714468.db2.gz BJVDIUZPKBUPAY-HNNXBMFYSA-N -1 0 341.374 3.194 20 30 EGEDRM COc1cccn2ncc(C([O-])=C(C#N)c3nc(C(C)C)cs3)c12 ZINC001344343143 1390784847 /nfs/dbraw/zinc/78/48/47/1390784847.db2.gz PPBGSXXEMCKDGJ-LLVKDONJSA-N -1 0 340.408 3.413 20 30 EGEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1cccc2c1OCC2)c1ccccc1 ZINC001344580540 1390800921 /nfs/dbraw/zinc/80/09/21/1390800921.db2.gz RZOOMRWREDPUJA-ZWKOTPCHSA-N -1 0 348.402 3.211 20 30 EGEDRM CCn1ccnc1C(C#N)=C([O-])c1nc(-c2cccs2)oc1C ZINC001345647331 1390871924 /nfs/dbraw/zinc/87/19/24/1390871924.db2.gz WLOOSGOHDLZONJ-NSHDSACASA-N -1 0 326.381 3.418 20 30 EGEDRM C=C(CC)CNC(=O)N(CCC)Cc1nc(=O)c2sccc2[n-]1 ZINC001348070487 1391169231 /nfs/dbraw/zinc/16/92/31/1391169231.db2.gz FFMOKKFYLSVDIW-UHFFFAOYSA-N -1 0 334.445 3.285 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cc1C#N ZINC001348628326 1391245947 /nfs/dbraw/zinc/24/59/47/1391245947.db2.gz CYTTVNNEZKFALO-OUCADQQQSA-N -1 0 345.468 3.469 20 30 EGEDRM Cc1nc2cc(NS(=O)(=O)c3ccc(CC#N)cc3)ccc2s1 ZINC001352726713 1391836806 /nfs/dbraw/zinc/83/68/06/1391836806.db2.gz RISPMMRTLFLVBR-UHFFFAOYSA-N -1 0 343.433 3.472 20 30 EGEDRM C[C@H](C#N)Oc1ccccc1N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824035045 1428835463 /nfs/dbraw/zinc/83/54/63/1428835463.db2.gz SDZBTGMUAWYMRT-CHWSQXEVSA-N -1 0 334.383 3.331 20 30 EGEDRM O=C1c2cc(Cl)ccc2OCC1=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826475474 1428891022 /nfs/dbraw/zinc/89/10/22/1428891022.db2.gz GXVHBUMDEWWJJS-KPKJPENVSA-N -1 0 338.754 3.179 20 30 EGEDRM CCCCCCCCNC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000825271102 1428896669 /nfs/dbraw/zinc/89/66/69/1428896669.db2.gz GUVLYFBPSURFCO-UHFFFAOYSA-N -1 0 348.426 3.166 20 30 EGEDRM COc1ccc(C)cc1C=C1CCc2cc(-c3nn[n-]n3)ccc2C1=O ZINC000821782227 1429017498 /nfs/dbraw/zinc/01/74/98/1429017498.db2.gz BPDADGPSLWDNEA-SDNWHVSQSA-N -1 0 346.390 3.396 20 30 EGEDRM C#CCCCCCC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000823842268 1429154425 /nfs/dbraw/zinc/15/44/25/1429154425.db2.gz ZWPXWCSUPYEKCC-UHFFFAOYSA-N -1 0 341.415 3.176 20 30 EGEDRM COC(=O)CCCC[C@H](C)C(C)N=Nc1cccc(-c2nn[n-]n2)c1 ZINC000821659978 1429161294 /nfs/dbraw/zinc/16/12/94/1429161294.db2.gz ASVLCJUZPMQIKC-LBPRGKRZSA-N -1 0 344.419 3.024 20 30 EGEDRM CC(=NNc1ccc2ccccc2n1)c1ccc(-c2nn[n-]n2)s1 ZINC000823958579 1423750971 /nfs/dbraw/zinc/75/09/71/1423750971.db2.gz RHWKOFCDHLXUOQ-UHFFFAOYSA-N -1 0 335.396 3.313 20 30 EGEDRM COc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)c(F)c1 ZINC000821769388 1424049690 /nfs/dbraw/zinc/04/96/90/1424049690.db2.gz HBIIBCQAXJPLKE-QPJJXVBHSA-N -1 0 342.305 3.050 20 30 EGEDRM C=CCOc1ccccc1CNc1ccc(-c2nn[n-]n2)cc1F ZINC000735437192 1425297203 /nfs/dbraw/zinc/29/72/03/1425297203.db2.gz ZRFHHZYNGFEIJO-UHFFFAOYSA-N -1 0 325.347 3.183 20 30 EGEDRM C[C@H](C#N)CN(C)Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000735504237 1425931008 /nfs/dbraw/zinc/93/10/08/1425931008.db2.gz MHUGCOXLGRHQHP-CQSZACIVSA-N -1 0 332.411 3.125 20 30 EGEDRM O=C(C=Cc1ccccc1OC(F)F)c1ccc(-c2nn[n-]n2)s1 ZINC000826403026 1426128977 /nfs/dbraw/zinc/12/89/77/1426128977.db2.gz IAXZPDSMLINITJ-WAYWQWQTSA-N -1 0 348.334 3.426 20 30 EGEDRM Cc1ccc(C2CC(=NNCc3ccc(-c4nn[n-]n4)cc3)C2)cc1 ZINC000822232233 1426537860 /nfs/dbraw/zinc/53/78/60/1426537860.db2.gz YBDSNXQKMGKVOY-UHFFFAOYSA-N -1 0 332.411 3.198 20 30 EGEDRM N#CCC[C@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000826381332 1427059535 /nfs/dbraw/zinc/05/95/35/1427059535.db2.gz HVLGAIYFKKYTLX-INIZCTEOSA-N -1 0 347.382 3.033 20 30 EGEDRM N#Cc1ccc(CSCc2ccc(F)cc2-c2nn[n-]n2)c(F)c1 ZINC000737719372 1427214211 /nfs/dbraw/zinc/21/42/11/1427214211.db2.gz SXPRXEJXHODLMC-UHFFFAOYSA-N -1 0 343.362 3.450 20 30 EGEDRM C=CCCCSCC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000735413232 1427823475 /nfs/dbraw/zinc/82/34/75/1427823475.db2.gz QSWHOZOSZKQZIA-UHFFFAOYSA-N -1 0 337.836 3.158 20 30 EGEDRM N#Cc1cc(CSc2cccc(Cl)c2-c2nn[n-]n2)ccn1 ZINC000826383599 1429874983 /nfs/dbraw/zinc/87/49/83/1429874983.db2.gz IHMGOURBCQXJCB-UHFFFAOYSA-N -1 0 328.788 3.079 20 30 EGEDRM CCc1ccc([C@H](C)C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC000736684585 1430071556 /nfs/dbraw/zinc/07/15/56/1430071556.db2.gz AWOZPRPXYCQYJR-LBPRGKRZSA-N -1 0 346.394 3.043 20 30 EGEDRM C=C[C@H](CC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823882582 1430073702 /nfs/dbraw/zinc/07/37/02/1430073702.db2.gz ACIDGAAAYOLJAQ-MRXNPFEDSA-N -1 0 347.422 3.185 20 30 EGEDRM COc1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc1C ZINC000821786525 1430176249 /nfs/dbraw/zinc/17/62/49/1430176249.db2.gz FGQZISAFJHLYKA-GDNBJRDFSA-N -1 0 346.390 3.396 20 30 EGEDRM O=C1C(=Cc2ccc(F)c(-c3nn[n-]n3)c2)Cc2c1c(F)ccc2F ZINC000826475457 1441513553 /nfs/dbraw/zinc/51/35/53/1441513553.db2.gz GPGKGTFVRGMGHI-UITAMQMPSA-N -1 0 342.280 3.106 20 30 EGEDRM CC1(C)Cc2cc(C=CC(=O)c3cccc(-c4nn[n-]n4)c3)ccc2O1 ZINC000736212803 1441691259 /nfs/dbraw/zinc/69/12/59/1441691259.db2.gz BGZGBAHWAWWSAA-SOFGYWHQSA-N -1 0 346.390 3.476 20 30 EGEDRM Clc1cc(-c2nn[n-]n2)cc(N=NC2CCC[C@H](C3CC3)C2)n1 ZINC000826349987 1442128281 /nfs/dbraw/zinc/12/82/81/1442128281.db2.gz CIOFMIUTDHHTKQ-JTQLQIEISA-N -1 0 331.811 3.283 20 30 EGEDRM Cc1cc(C)c2c(c1)C(=O)C(=Cc1cc(-c3nnn[n-]3)cs1)CO2 ZINC000822195346 1446416023 /nfs/dbraw/zinc/41/60/23/1446416023.db2.gz PKJFFYOGLPFVJY-VZUCSPMQSA-N -1 0 338.392 3.204 20 30 EGEDRM Cc1cc(F)ccc1C(=O)C=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826267893 1446620950 /nfs/dbraw/zinc/62/09/50/1446620950.db2.gz AVNJEEWVUSRWJN-CLTKARDFSA-N -1 0 326.306 3.349 20 30 EGEDRM COc1ccc(C=NNc2cccc3c2CCCC3)cc1-c1nn[n-]n1 ZINC000737084174 1446744079 /nfs/dbraw/zinc/74/40/79/1446744079.db2.gz YTVRIWXKTKADAU-UHFFFAOYSA-N -1 0 348.410 3.200 20 30 EGEDRM C#CC[C@H](NC(=O)N[C@@H](C(=O)[O-])C1CCCCC1)c1ccccc1 ZINC000780698342 939146732 /nfs/dbraw/zinc/14/67/32/939146732.db2.gz ZDCQVTYVCHIVGF-DLBZAZTESA-N -1 0 328.412 3.084 20 30 EGEDRM CCCCCCCCNC(=O)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC000321708126 970799620 /nfs/dbraw/zinc/79/96/20/970799620.db2.gz COHCMBFVIJOJTN-CQSZACIVSA-N -1 0 338.370 3.396 20 30 EGEDRM C#CCCCCCC(=O)Nc1scc(-c2cnn(C)c2)c1C(=O)[O-] ZINC001602675729 971253002 /nfs/dbraw/zinc/25/30/02/971253002.db2.gz LNKKVPSNUAZLSM-UHFFFAOYSA-N -1 0 345.424 3.369 20 30 EGEDRM C[C@H]1CCCC[C@@H]1CN=Nc1oc(C(C)(C)C)nc1-c1nnn[n-]1 ZINC000824935743 946999930 /nfs/dbraw/zinc/99/99/30/946999930.db2.gz CSUCELDUSKNWSQ-WDEREUQCSA-N -1 0 331.424 3.376 20 30 EGEDRM C=CCCC(C)(C)CNC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001602718976 971379889 /nfs/dbraw/zinc/37/98/89/971379889.db2.gz IFFRCOVYPVOTQM-MRXNPFEDSA-N -1 0 330.428 3.372 20 30 EGEDRM C=CCOc1cc(OC)ccc1C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-] ZINC001602728993 971399601 /nfs/dbraw/zinc/39/96/01/971399601.db2.gz UZMVPJYBQHKCAK-HNNXBMFYSA-N -1 0 349.427 3.269 20 30 EGEDRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)C[C@H](CC#N)c2ccccc2)C1 ZINC001589592584 949106457 /nfs/dbraw/zinc/10/64/57/949106457.db2.gz YHAXICPFFIPVES-QFBILLFUSA-N -1 0 328.412 3.177 20 30 EGEDRM CC(C)[C@@H](CNc1ccc(C#N)c(Br)c1F)C(=O)[O-] ZINC000231842393 949757760 /nfs/dbraw/zinc/75/77/60/949757760.db2.gz QQBUKKYRDBOXDU-SECBINFHSA-N -1 0 329.169 3.229 20 30 EGEDRM C=C(C)CN(C)C(=O)Nc1cc(C(=O)[O-])ccc1Br ZINC000234286079 949819872 /nfs/dbraw/zinc/81/98/72/949819872.db2.gz LSRUJVMBQCQNKA-UHFFFAOYSA-N -1 0 327.178 3.187 20 30 EGEDRM C=CC[C@@H](C)NC(=O)Nc1cc(C(=O)[O-])ccc1Br ZINC000235415541 949862437 /nfs/dbraw/zinc/86/24/37/949862437.db2.gz PQKVYYCBWSDEIW-MRVPVSSYSA-N -1 0 327.178 3.233 20 30 EGEDRM CC(C)(C#N)c1ccc(C(=O)NC2(C(=O)[O-])CCCCCC2)cc1 ZINC001602831149 971657144 /nfs/dbraw/zinc/65/71/44/971657144.db2.gz SGFNTYUBJHIIQP-UHFFFAOYSA-N -1 0 328.412 3.395 20 30 EGEDRM CCOC(=O)Nc1ccc(NCc2cccc(C(=O)[O-])c2)cc1C#N ZINC001590958806 951033149 /nfs/dbraw/zinc/03/31/49/951033149.db2.gz SZZAMLFKWYAIRY-UHFFFAOYSA-N -1 0 339.351 3.437 20 30 EGEDRM CC[C@@H](NC(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)C(=O)[O-] ZINC001593603870 953418387 /nfs/dbraw/zinc/41/83/87/953418387.db2.gz IYGZCDSMYNWUCV-OAHLLOKOSA-N -1 0 339.351 3.335 20 30 EGEDRM C[C@H]1CN(C(=O)c2ccc(C#Cc3ccccc3)cc2)CC[C@@H]1C(=O)[O-] ZINC001589393448 954351653 /nfs/dbraw/zinc/35/16/53/954351653.db2.gz YGGHEXBEWQHCDS-JXFKEZNVSA-N -1 0 347.414 3.269 20 30 EGEDRM O=C([O-])c1cccc(/C=C\C(=O)c2cc3c(s2)SCC(=O)N3)c1 ZINC000774128922 955325497 /nfs/dbraw/zinc/32/54/97/955325497.db2.gz BCUMMRVBTISWLG-PLNGDYQASA-N -1 0 345.401 3.387 20 30 EGEDRM N#CCc1ccccc1C(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC001594611541 956216935 /nfs/dbraw/zinc/21/69/35/956216935.db2.gz WOMBXXBECAQURI-UHFFFAOYSA-N -1 0 348.402 3.471 20 30 EGEDRM N#Cc1cc(C(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)ccc1Cl ZINC001594613878 956227186 /nfs/dbraw/zinc/22/71/86/956227186.db2.gz GMTCIZSQJRBRAG-CQSZACIVSA-N -1 0 340.766 3.430 20 30 EGEDRM CC1(C)C[C@]1(C(=O)[O-])C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1 ZINC001589211785 956696263 /nfs/dbraw/zinc/69/62/63/956696263.db2.gz DHMNLATXJRXDKJ-IAQYHMDHSA-N -1 0 341.194 3.175 20 30 EGEDRM COc1ccc(/C=C/C(=O)c2ccc(OCC(=O)[O-])cc2)cc1C ZINC000011298496 956890494 /nfs/dbraw/zinc/89/04/94/956890494.db2.gz ZAIFGNGBXPWVTE-YCRREMRBSA-N -1 0 326.348 3.363 20 30 EGEDRM CC1CC(C#N)(C(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)C1 ZINC001589263452 957066250 /nfs/dbraw/zinc/06/62/50/957066250.db2.gz NDERWQRFJOKVLF-UHFFFAOYSA-N -1 0 326.396 3.031 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC001588397316 958055045 /nfs/dbraw/zinc/05/50/45/958055045.db2.gz DEMBSWXXHMWUEG-SFHVURJKSA-N -1 0 339.416 3.066 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)NCCc1ccc(C2CCCCC2)cc1 ZINC001588408606 958113521 /nfs/dbraw/zinc/11/35/21/958113521.db2.gz UUYRCGXSQUXNQH-UHFFFAOYSA-N -1 0 342.439 3.006 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)N[C@@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC001588409307 958125987 /nfs/dbraw/zinc/12/59/87/958125987.db2.gz DZOUFLXBQOIPQU-GDBMZVCRSA-N -1 0 348.830 3.096 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)c1ccc(-c2ccc(F)cc2C)c(F)c1 ZINC001588415897 958159376 /nfs/dbraw/zinc/15/93/76/958159376.db2.gz CLLQQCSBCOMNNM-UHFFFAOYSA-N -1 0 343.329 3.100 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2 ZINC001588416928 958165450 /nfs/dbraw/zinc/16/54/50/958165450.db2.gz WZSZFMHXYGHXQJ-ZDUSSCGKSA-N -1 0 333.453 3.059 20 30 EGEDRM COc1ccc(C#N)cc1NC(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC001594075190 958214098 /nfs/dbraw/zinc/21/40/98/958214098.db2.gz QJKFVFFLAFXAJC-UHFFFAOYSA-N -1 0 325.324 3.218 20 30 EGEDRM C=C[C@](C)(CCOC)C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001588450935 958401894 /nfs/dbraw/zinc/40/18/94/958401894.db2.gz IDGRIOQWKICYMA-OAHLLOKOSA-N -1 0 329.755 3.345 20 30 EGEDRM C=CC[C@@H](Cc1ccccc1)NC(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001588453047 958429919 /nfs/dbraw/zinc/42/99/19/958429919.db2.gz MZAXTBBMJIDLCO-HNNXBMFYSA-N -1 0 325.368 3.089 20 30 EGEDRM C=C1CCC(CNC(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)CC1 ZINC001573329527 958509721 /nfs/dbraw/zinc/50/97/21/958509721.db2.gz IACBXKYXWFHCNO-IRXDYDNUSA-N -1 0 328.412 3.345 20 30 EGEDRM C=CC[S@](=O)(=NC(=O)c1coc(/C=C/C(=O)[O-])c1)c1ccccc1 ZINC001588469667 958518350 /nfs/dbraw/zinc/51/83/50/958518350.db2.gz STCZVMYUUOUNHS-HCXLOTKHSA-N -1 0 345.376 3.231 20 30 EGEDRM C=CCOc1ccc(COC(=O)c2coc(/C=C/C(=O)[O-])c2)cc1 ZINC001588469821 958520356 /nfs/dbraw/zinc/52/03/56/958520356.db2.gz WBDZZUBNJZLUPI-BQYQJAHWSA-N -1 0 328.320 3.299 20 30 EGEDRM CC(C)(C#N)c1ccc(C(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC001573381143 958660247 /nfs/dbraw/zinc/66/02/47/958660247.db2.gz DLLIAWCEERIYEQ-HXUWFJFHSA-N -1 0 336.391 3.218 20 30 EGEDRM CC(C)(C)n1cc(C#N)cc1NC(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001573463527 958928327 /nfs/dbraw/zinc/92/83/27/958928327.db2.gz GKOMDHRAAFBHMM-ALCCZGGFSA-N -1 0 327.340 3.058 20 30 EGEDRM CC(C)(C)c1ccc2c(c1)CCCN2C(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC001588539050 958949600 /nfs/dbraw/zinc/94/96/00/958949600.db2.gz VFGGOHFNAUUQOS-LJQANCHMSA-N -1 0 328.412 3.268 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCc2ccc(-c3ccccc3)cc2C1 ZINC001588539095 958951852 /nfs/dbraw/zinc/95/18/52/958951852.db2.gz XATFPBNSTRFMFV-NRFANRHFSA-N -1 0 348.402 3.243 20 30 EGEDRM CC(C)(C)[C@H]1CCc2nc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])sc2C1 ZINC001588539976 958956643 /nfs/dbraw/zinc/95/66/43/958956643.db2.gz IXPPVWOEZYCDPC-DYZYQPBXSA-N -1 0 349.456 3.237 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc([C@@H](F)C(F)(F)F)cc1 ZINC001588541960 958967415 /nfs/dbraw/zinc/96/74/15/958967415.db2.gz OUAKEEMYVANTDW-DGCLKSJQSA-N -1 0 332.253 3.203 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)OCc1nc(C2CCCCC2)cs1 ZINC001588543700 958983124 /nfs/dbraw/zinc/98/31/24/958983124.db2.gz QLBUDYGVLACXDO-INIZCTEOSA-N -1 0 336.413 3.239 20 30 EGEDRM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@@H](C(=O)[O-])C(C)(C)C ZINC001573518116 959117599 /nfs/dbraw/zinc/11/75/99/959117599.db2.gz OEZDQJALVUIANG-INIZCTEOSA-N -1 0 330.428 3.290 20 30 EGEDRM C[C@@H]1CCC[C@H](C(=O)[O-])N1Cc1ccc(Br)cc1C#N ZINC001594216447 959334063 /nfs/dbraw/zinc/33/40/63/959334063.db2.gz WNPJQOMRUXTJDK-QMTHXVAHSA-N -1 0 337.217 3.148 20 30 EGEDRM COc1ccc(C(=O)/C=C\c2ccc(OCC(=O)[O-])cc2)cc1OC ZINC000211783800 959696089 /nfs/dbraw/zinc/69/60/89/959696089.db2.gz REOAJHBANLGTAR-UITAMQMPSA-N -1 0 342.347 3.063 20 30 EGEDRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001573667611 959707388 /nfs/dbraw/zinc/70/73/88/959707388.db2.gz JEYYDALZERXVOV-AWEZNQCLSA-N -1 0 326.274 3.016 20 30 EGEDRM Cc1cc(C(=O)[O-])cc(C(=O)N(C)c2cc(Cl)ccc2C#N)c1 ZINC001574315059 960778167 /nfs/dbraw/zinc/77/81/67/960778167.db2.gz HWISDYSKFTUOJH-UHFFFAOYSA-N -1 0 328.755 3.495 20 30 EGEDRM N#CCC[C@H](NC(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1ccccc1 ZINC001263063594 960862216 /nfs/dbraw/zinc/86/22/16/960862216.db2.gz YVIUZJVBUOKUSQ-WBVHZDCISA-N -1 0 343.427 3.318 20 30 EGEDRM N#CCC[C@H](NC(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1ccccc1 ZINC001263063593 960862755 /nfs/dbraw/zinc/86/27/55/960862755.db2.gz YVIUZJVBUOKUSQ-RDJZCZTQSA-N -1 0 343.427 3.318 20 30 EGEDRM N#CCC[C@@H](NC(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1ccccc1 ZINC001263063592 960862861 /nfs/dbraw/zinc/86/28/61/960862861.db2.gz YVIUZJVBUOKUSQ-NVXWUHKLSA-N -1 0 343.427 3.318 20 30 EGEDRM N#C[C@H](NC(=O)C1(CC(=O)[O-])CCC1)c1ccc(Cl)c(Cl)c1 ZINC001574474450 961639966 /nfs/dbraw/zinc/63/99/66/961639966.db2.gz OJKPAAVHRUOUOF-LBPRGKRZSA-N -1 0 341.194 3.319 20 30 EGEDRM CC(C)[C@@H](CNC(=O)Nc1scc(C(C)(C)C)c1C#N)C(=O)[O-] ZINC001588826981 961675722 /nfs/dbraw/zinc/67/57/22/961675722.db2.gz GCSBQCAHVIOOAT-LLVKDONJSA-N -1 0 337.445 3.396 20 30 EGEDRM CC(C)C[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)C(=O)[O-] ZINC001588862875 962009923 /nfs/dbraw/zinc/00/99/23/962009923.db2.gz KFWPBTFMUANLAY-INIZCTEOSA-N -1 0 343.427 3.181 20 30 EGEDRM O=C([O-])c1ncccc1NC(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC001574607557 962174535 /nfs/dbraw/zinc/17/45/35/962174535.db2.gz FYTZXFMRQDTCJW-UHFFFAOYSA-N -1 0 342.354 3.432 20 30 EGEDRM C=C(C)C[C@H](NC(=O)c1cc(-c2ccc(CC)cc2)on1)C(=O)[O-] ZINC001573322027 962764294 /nfs/dbraw/zinc/76/42/94/962764294.db2.gz UFPXGKAWLKEGDZ-HNNXBMFYSA-N -1 0 328.368 3.053 20 30 EGEDRM C=C(C)C[C@H](NC(=O)c1cnc(Cc2ccccc2F)s1)C(=O)[O-] ZINC001573323670 962774688 /nfs/dbraw/zinc/77/46/88/962774688.db2.gz FELXUWLCLJJJCN-ZDUSSCGKSA-N -1 0 348.399 3.022 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)NCc1cccc(OCc2ccccc2)c1 ZINC001573336632 962860047 /nfs/dbraw/zinc/86/00/47/962860047.db2.gz DYIIOCPHWOGRJR-UHFFFAOYSA-N -1 0 339.391 3.303 20 30 EGEDRM C=C1CCC(CNC(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)CC1 ZINC001573344373 962916920 /nfs/dbraw/zinc/91/69/20/962916920.db2.gz VFGWENVKROUDEU-UHFFFAOYSA-N -1 0 328.372 3.129 20 30 EGEDRM C=C1CCC(CNS(=O)(=O)c2cccc(Cl)c2C(=O)[O-])CC1 ZINC001573344447 962918981 /nfs/dbraw/zinc/91/89/81/962918981.db2.gz YZENJLJIYOQQKT-UHFFFAOYSA-N -1 0 343.832 3.063 20 30 EGEDRM C=C[C@@H](C(=O)Nc1cc(C(=O)[O-])cc(C(=O)OC)c1)c1ccccc1 ZINC001573345018 962925095 /nfs/dbraw/zinc/92/50/95/962925095.db2.gz DPVWPMJOOMTCTD-MRXNPFEDSA-N -1 0 339.347 3.080 20 30 EGEDRM C=C[C@@H](C(=O)N1CCOc2ccccc2[C@H]1C(=O)[O-])c1ccccc1 ZINC001573345216 962929336 /nfs/dbraw/zinc/92/93/36/962929336.db2.gz LIBFOXOMRUGXMW-QAPCUYQASA-N -1 0 337.375 3.003 20 30 EGEDRM C=CCC1(CNS(=O)(=O)c2cc(C(=O)[O-])c(Cl)o2)CCCC1 ZINC001573352560 962988842 /nfs/dbraw/zinc/98/88/42/962988842.db2.gz GBBPQHKJKWMYCZ-UHFFFAOYSA-N -1 0 347.820 3.046 20 30 EGEDRM C#CCCCCC(=O)N[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001588440481 964037424 /nfs/dbraw/zinc/03/74/24/964037424.db2.gz WXGFEAIWTUDDBN-CQSZACIVSA-N -1 0 327.302 3.298 20 30 EGEDRM O=C([O-])C1(C(=O)Nc2cccc(C#Cc3ccccc3)c2)CC=CC1 ZINC001605942296 972890841 /nfs/dbraw/zinc/89/08/41/972890841.db2.gz QBRGIYHJTRPICY-UHFFFAOYSA-N -1 0 331.371 3.446 20 30 EGEDRM N#Cc1cc(F)c(NC[C@@H](CC2CC2)C(=O)[O-])cc1Br ZINC000405385967 973863011 /nfs/dbraw/zinc/86/30/11/973863011.db2.gz FBMYAYYBYLBIOJ-SNVBAGLBSA-N -1 0 341.180 3.373 20 30 EGEDRM N#CC[C@H](C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21)c1ccccc1 ZINC001605582251 973865347 /nfs/dbraw/zinc/86/53/47/973865347.db2.gz WYVFFJKAPRCMKS-BMGDILEWSA-N -1 0 334.375 3.113 20 30 EGEDRM N#CCCc1ccc(NC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1 ZINC001605585837 973877203 /nfs/dbraw/zinc/87/72/03/973877203.db2.gz JXVUKDHHYXEEIH-HNNXBMFYSA-N -1 0 329.400 3.251 20 30 EGEDRM N#Cc1ccccc1Sc1ccc(-c2nc(CC(=O)[O-])no2)cc1 ZINC001605619989 973940995 /nfs/dbraw/zinc/94/09/95/973940995.db2.gz PPYWZLTXLOJXOY-UHFFFAOYSA-N -1 0 337.360 3.387 20 30 EGEDRM CCCCCCCCc1nnc(NC(=O)[C@H]2CC[C@H]2C(=O)[O-])s1 ZINC001603640328 973980564 /nfs/dbraw/zinc/98/05/64/973980564.db2.gz CHGUGJBNCQSPPO-NWDGAFQWSA-N -1 0 339.461 3.490 20 30 EGEDRM CC(C)Sc1ccccc1NC(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001591829566 976092783 /nfs/dbraw/zinc/09/27/83/976092783.db2.gz QLADMMIDINBHEG-UHFFFAOYSA-N -1 0 347.440 3.409 20 30 EGEDRM CC(C)c1ncc(C(=O)OCC#Cc2cccc(C(=O)[O-])c2)s1 ZINC001592034018 976750405 /nfs/dbraw/zinc/75/04/05/976750405.db2.gz SUHFXJGLFBNQEF-UHFFFAOYSA-N -1 0 329.377 3.173 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1NN=C(C)c1cc([N+](=O)[O-])ccc1C ZINC000756901493 978701732 /nfs/dbraw/zinc/70/17/32/978701732.db2.gz RYDOIVWXUACBFI-UHFFFAOYSA-N -1 0 343.339 3.446 20 30 EGEDRM CCC(N=Nc1ccc(C(=O)[O-])cc1OC)c1ccc(O)c(F)c1 ZINC000756906273 978702771 /nfs/dbraw/zinc/70/27/71/978702771.db2.gz XTEZZEGPGOQVRE-UHFFFAOYSA-N -1 0 332.331 3.464 20 30 EGEDRM C=CCOc1cc(OC)ccc1C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000761665945 978714019 /nfs/dbraw/zinc/71/40/19/978714019.db2.gz VYZORYDWLDGZNT-UHFFFAOYSA-N -1 0 345.326 3.350 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1[N-][NH+]=C(C)c1ccccc1N(C)C ZINC000769583019 978742570 /nfs/dbraw/zinc/74/25/70/978742570.db2.gz ABDNGHMAEOGVQP-UHFFFAOYSA-N -1 0 327.384 3.296 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1NN=C(C)c1cnc(OC)c(Cl)c1 ZINC000789033097 978798069 /nfs/dbraw/zinc/79/80/69/978798069.db2.gz BVUUKRDLNKEGPV-UHFFFAOYSA-N -1 0 349.774 3.287 20 30 EGEDRM O=C([O-])Cn1cc(C=NNCc2ccc(F)c(F)c2)c2ccccc21 ZINC000799876424 978843434 /nfs/dbraw/zinc/84/34/34/978843434.db2.gz YJWFXVYCSGVBCD-UHFFFAOYSA-N -1 0 343.333 3.128 20 30 EGEDRM COc1cc(C=NNc2ccccc2C(=O)[O-])ccc1OC(F)F ZINC000812442147 978868896 /nfs/dbraw/zinc/86/88/96/978868896.db2.gz RLMYLBJHDHAHOV-UHFFFAOYSA-N -1 0 336.294 3.441 20 30 EGEDRM COc1cccc(-c2n[nH]cc2C=NNc2ccccc2C(=O)[O-])c1 ZINC000814768975 978883237 /nfs/dbraw/zinc/88/32/37/978883237.db2.gz QVPZHMWRDMDNSK-UHFFFAOYSA-N -1 0 336.351 3.230 20 30 EGEDRM C[C@@H](CNc1ccc(C(=O)[O-])nc1C#N)Oc1cccc(Cl)c1 ZINC001592728891 979238995 /nfs/dbraw/zinc/23/89/95/979238995.db2.gz HJYLYDOAAUNRSH-JTQLQIEISA-N -1 0 331.759 3.184 20 30 EGEDRM C=C(C)[C@@H]1OCC[C@@H]1CNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000844219796 979384094 /nfs/dbraw/zinc/38/40/94/979384094.db2.gz WPOFQFQQUWZLOW-UECWQGKISA-N -1 0 332.356 3.086 20 30 EGEDRM Cc1c(NN=Cc2cnc([C@@H]3CCCO3)s2)cccc1C(=O)[O-] ZINC000844622687 979397555 /nfs/dbraw/zinc/39/75/55/979397555.db2.gz BNQKVJHJFUTNAS-AWEZNQCLSA-N -1 0 331.397 3.447 20 30 EGEDRM CC[C@](NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)(C(=O)[O-])c1ccccc1 ZINC001595258807 980259175 /nfs/dbraw/zinc/25/91/75/980259175.db2.gz BCCWPHOAWINXGE-WAOWUJCRSA-N -1 0 348.402 3.168 20 30 EGEDRM CC[C@H](OC1CCCCC1)C(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC001595357257 980720775 /nfs/dbraw/zinc/72/07/75/980720775.db2.gz WSQMHQZQTZAWQQ-KRWDZBQOSA-N -1 0 345.395 3.428 20 30 EGEDRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1sccc1CC#N ZINC001595360480 980752386 /nfs/dbraw/zinc/75/23/86/980752386.db2.gz IDUFOXOWOJTMKX-OAHLLOKOSA-N -1 0 342.420 3.492 20 30 EGEDRM CCC[C@H](C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccccn1 ZINC001595539203 981397464 /nfs/dbraw/zinc/39/74/64/981397464.db2.gz ZZBMFNUXLCYFMH-RDJZCZTQSA-N -1 0 338.363 3.206 20 30 EGEDRM C=C[C@](C)(CCOC)C(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC000909214308 981433876 /nfs/dbraw/zinc/43/38/76/981433876.db2.gz NKKZABZAEBZXOG-GOSISDBHSA-N -1 0 347.436 3.445 20 30 EGEDRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)/C=C/c1ccccc1C#N ZINC001594779517 981781121 /nfs/dbraw/zinc/78/11/21/981781121.db2.gz AOALBXDUXYISCX-VYENPZKTSA-N -1 0 326.396 3.063 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1cnn(CC)c1-c1ccccc1)C(=O)[O-] ZINC000910916290 982163392 /nfs/dbraw/zinc/16/33/92/982163392.db2.gz GUFCXTKBKXDIFY-MRXNPFEDSA-N -1 0 341.411 3.109 20 30 EGEDRM C[C@@H]1CCC[C@H](NC(=S)NN=Cc2ccc(C(=O)[O-])cc2)[C@H]1C ZINC000916352080 982675328 /nfs/dbraw/zinc/67/53/28/982675328.db2.gz IMZQDDMQRCCRNC-XUJVJEKNSA-N -1 0 333.457 3.008 20 30 EGEDRM C[C@H](Oc1ccc(NC(=O)[C@]2(C#N)CC23CCCC3)cc1F)C(=O)[O-] ZINC000923098685 982723344 /nfs/dbraw/zinc/72/33/44/982723344.db2.gz NKCXEPORHPUWHS-BBATYDOGSA-N -1 0 346.358 3.090 20 30 EGEDRM CCC(C#N)(CC)C(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000923105539 982727763 /nfs/dbraw/zinc/72/77/63/982727763.db2.gz BLECMGBTOBTWTB-UHFFFAOYSA-N -1 0 339.189 3.416 20 30 EGEDRM CCCN(Cc1ccc(C#N)cc1)C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001595885879 982910788 /nfs/dbraw/zinc/91/07/88/982910788.db2.gz KVFBNQYCGMEFIN-NTMALXAHSA-N -1 0 338.363 3.301 20 30 EGEDRM CCCN(Cc1ccc(C#N)cc1)C(=O)c1c(C)coc1CC(=O)[O-] ZINC001595886121 982913876 /nfs/dbraw/zinc/91/38/76/982913876.db2.gz YRRJBIPSMYUTPG-UHFFFAOYSA-N -1 0 340.379 3.139 20 30 EGEDRM CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C(=O)[O-])cn1 ZINC001595886133 982915371 /nfs/dbraw/zinc/91/53/71/982915371.db2.gz ZJWGUKWXXQOUIN-UHFFFAOYSA-N -1 0 338.367 3.096 20 30 EGEDRM C#C[C@H](NC(=O)Nc1cc(C(=O)[O-])cc2cccnc21)C(C)(C)C ZINC001588373972 983340305 /nfs/dbraw/zinc/34/03/05/983340305.db2.gz MSYAMCFMIXAFJV-AWEZNQCLSA-N -1 0 325.368 3.102 20 30 EGEDRM C#C[C@@H](NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F)c1ccccc1 ZINC001588374075 983340946 /nfs/dbraw/zinc/34/09/46/983340946.db2.gz ODRXSPXCLNLAQX-CQSZACIVSA-N -1 0 330.290 3.159 20 30 EGEDRM C#C[C@H](NC(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1)C(C)C ZINC001588374328 983343508 /nfs/dbraw/zinc/34/35/08/983343508.db2.gz UMALQUBRPOWIQS-INIZCTEOSA-N -1 0 343.427 3.154 20 30 EGEDRM C#C[C@@H](N[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl)C1CCOCC1 ZINC001588376889 983354753 /nfs/dbraw/zinc/35/47/53/983354753.db2.gz HGYCMXRUDDBNMT-HUUCEWRRSA-N -1 0 342.222 3.137 20 30 EGEDRM C#C[C@H]1CCCCN1C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC001588381833 983367655 /nfs/dbraw/zinc/36/76/55/983367655.db2.gz BKSRZWXFYUETMN-HNNXBMFYSA-N -1 0 332.425 3.024 20 30 EGEDRM C#C[C@H]1CCCN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC001588383370 983380814 /nfs/dbraw/zinc/38/08/14/983380814.db2.gz XGYASGGFXYDAGI-ZDUSSCGKSA-N -1 0 326.421 3.354 20 30 EGEDRM C#CC[C@@H](Cc1ccccc1)NC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001588393443 983398312 /nfs/dbraw/zinc/39/83/12/983398312.db2.gz BSUYVYAYEIECIQ-HNNXBMFYSA-N -1 0 341.794 3.403 20 30 EGEDRM C#CC[C@@H](NC(=O)/C(=C/c1ccc(F)cc1)c1cccs1)C(=O)[O-] ZINC001588393674 983399799 /nfs/dbraw/zinc/39/97/99/983399799.db2.gz FCEXWORJUXNNSW-ATGUSINASA-N -1 0 343.379 3.021 20 30 EGEDRM C#CCCOc1ccc(C(=O)Nc2cc(F)cc(C(=O)[O-])c2F)cc1 ZINC001588455320 983479084 /nfs/dbraw/zinc/47/90/84/983479084.db2.gz JNKVMVGZCLPHGJ-UHFFFAOYSA-N -1 0 345.301 3.317 20 30 EGEDRM C#CCOc1ccccc1NC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001588504543 983548294 /nfs/dbraw/zinc/54/82/94/983548294.db2.gz CUMIDHXKOVPEFX-UHFFFAOYSA-N -1 0 346.289 3.319 20 30 EGEDRM C#Cc1ccc(C(=O)N[C@](C)(Cc2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC001588511204 983558701 /nfs/dbraw/zinc/55/87/01/983558701.db2.gz SUQVNLOHSLKTHO-LJQANCHMSA-N -1 0 341.794 3.137 20 30 EGEDRM C#C[C@H]1CC[C@H](NC(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)CC1 ZINC001588511503 983559919 /nfs/dbraw/zinc/55/99/19/983559919.db2.gz YLEGBKXSTCIDJI-CTYIDZIISA-N -1 0 344.411 3.486 20 30 EGEDRM C#Cc1ccccc1CC(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001588528703 983577857 /nfs/dbraw/zinc/57/78/57/983577857.db2.gz DWXGBEJRWICOKV-LJQANCHMSA-N -1 0 347.414 3.145 20 30 EGEDRM C=C(C)[C@H](CC(=O)O[C@H](C(=O)[O-])c1ccccc1Cl)OCC ZINC001588535639 983590019 /nfs/dbraw/zinc/59/00/19/983590019.db2.gz PKDKWJYIROTLOZ-ZFWWWQNUSA-N -1 0 326.776 3.380 20 30 EGEDRM C=C(C)C[C@@H](C)C(=O)O[C@@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001588536137 983592578 /nfs/dbraw/zinc/59/25/78/983592578.db2.gz PLZKNDATGVWIRI-OLZOCXBDSA-N -1 0 333.384 3.166 20 30 EGEDRM C=C(C)C[C@H](NC(=O)[C@@H](C)CC(=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC001588537146 983597936 /nfs/dbraw/zinc/59/79/36/983597936.db2.gz JFBBYIRMENIXGD-FZMZJTMJSA-N -1 0 337.803 3.085 20 30 EGEDRM C=C(C)C[C@H](NC(=O)c1cc(Br)c(C)cc1C)C(=O)[O-] ZINC001588543335 983611266 /nfs/dbraw/zinc/61/12/66/983611266.db2.gz GIHYRQMLQSVLSG-ZDUSSCGKSA-N -1 0 340.217 3.215 20 30 EGEDRM C=C(C)COc1cc(/C=C/c2ncncc2C(=O)[O-])ccc1OC ZINC001588573542 983653221 /nfs/dbraw/zinc/65/32/21/983653221.db2.gz PRAGUUNTVLITJV-GQCTYLIASA-N -1 0 326.352 3.309 20 30 EGEDRM C=C(C)c1cccc(NC(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)c1 ZINC001588605481 983693131 /nfs/dbraw/zinc/69/31/31/983693131.db2.gz IZUCBSRSBBFEFN-UHFFFAOYSA-N -1 0 328.372 3.380 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N1CCC(Cc2cc(F)cc(F)c2)CC1 ZINC001588614374 983707321 /nfs/dbraw/zinc/70/73/21/983707321.db2.gz SMKWHCSJNJWIOF-UHFFFAOYSA-N -1 0 337.366 3.167 20 30 EGEDRM C=CC(C)(C)CCCNC(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC001588673127 983828829 /nfs/dbraw/zinc/82/88/29/983828829.db2.gz KSOATJXOFDTAND-UHFFFAOYSA-N -1 0 325.434 3.274 20 30 EGEDRM C=CC[C@@H](C(=O)Nc1cc(C(=O)[O-])cc(OC)c1O)c1ccccc1 ZINC001588721554 983972664 /nfs/dbraw/zinc/97/26/64/983972664.db2.gz PNQHWADKMUKOLU-CQSZACIVSA-N -1 0 341.363 3.397 20 30 EGEDRM C=CC[C@@H](OC(=O)c1csc(Cc2ccc(C)cc2)n1)C(=O)[O-] ZINC001588759487 984112101 /nfs/dbraw/zinc/11/21/01/984112101.db2.gz VBGBDZSWVAEHOE-CQSZACIVSA-N -1 0 331.393 3.228 20 30 EGEDRM C=CC[C@@H]1CCCN(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)C1 ZINC001588770792 984136151 /nfs/dbraw/zinc/13/61/51/984136151.db2.gz HHUHAVYYFAFFQU-CQSZACIVSA-N -1 0 332.400 3.360 20 30 EGEDRM C=CCC[C@H](C(=O)N1CCSC[C@H](C(=O)[O-])C1)c1ccccc1 ZINC001588777250 984156017 /nfs/dbraw/zinc/15/60/17/984156017.db2.gz YFCJIHAMBRIIEI-CVEARBPZSA-N -1 0 333.453 3.013 20 30 EGEDRM C=CCCC[C@@H](NC(=O)C(F)(F)c1ccccc1OCC)C(=O)[O-] ZINC001588787864 984188846 /nfs/dbraw/zinc/18/88/46/984188846.db2.gz ZQXJUPBMMXPZMK-CYBMUJFWSA-N -1 0 341.354 3.103 20 30 EGEDRM C=CCCC[C@H](NC(=O)COc1ccc(C(C)C)c(C)c1)C(=O)[O-] ZINC001588788825 984193864 /nfs/dbraw/zinc/19/38/64/984193864.db2.gz PBDWJHYKGWCHPH-KRWDZBQOSA-N -1 0 333.428 3.423 20 30 EGEDRM C=CCCC[C@@H](NC(=O)[C@@H]1CC(C)(C)Oc2ccccc21)C(=O)[O-] ZINC001588790270 984205378 /nfs/dbraw/zinc/20/53/78/984205378.db2.gz UORBRBGJFXHMGJ-HUUCEWRRSA-N -1 0 331.412 3.257 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1csc(-c2cccs2)n1)C(=O)[O-] ZINC001588797392 984229679 /nfs/dbraw/zinc/22/96/79/984229679.db2.gz DWZGRZQNGNASRH-JTQLQIEISA-N -1 0 336.438 3.411 20 30 EGEDRM C=CCCC[C@@H](NS(=O)(=O)c1ccc(C(C)(C)C)s1)C(=O)[O-] ZINC001588798726 984238338 /nfs/dbraw/zinc/23/83/38/984238338.db2.gz PVMTWWRYFRBLNG-LLVKDONJSA-N -1 0 345.486 3.133 20 30 EGEDRM C=CCN(Cc1ccccc1F)C(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC001588831673 984315832 /nfs/dbraw/zinc/31/58/32/984315832.db2.gz IAQBAPGJAUZXCC-BQYQJAHWSA-N -1 0 329.327 3.345 20 30 EGEDRM C=CCNC(=O)Nc1c(OCc2ccccc2)cccc1C(=O)[O-] ZINC001588844441 984358159 /nfs/dbraw/zinc/35/81/59/984358159.db2.gz YZRGGLPGUGTGBF-UHFFFAOYSA-N -1 0 326.352 3.271 20 30 EGEDRM C=CCOc1ccc(CNC(=O)NCc2ccc(C(=O)[O-])s2)cc1 ZINC001588873756 984446057 /nfs/dbraw/zinc/44/60/57/984446057.db2.gz KTWYKJWSGJXVTB-UHFFFAOYSA-N -1 0 346.408 3.011 20 30 EGEDRM C=CCOc1ccc(CC(=O)Nc2nc(CC)c(C(=O)[O-])s2)cc1 ZINC001588874062 984447624 /nfs/dbraw/zinc/44/76/24/984447624.db2.gz UPSJHWKYTWIEOG-UHFFFAOYSA-N -1 0 346.408 3.150 20 30 EGEDRM C=CCSc1ccccc1C(=O)N(C)c1ncc(C(=O)[O-])s1 ZINC001588879577 984458454 /nfs/dbraw/zinc/45/84/54/984458454.db2.gz GEUPVYAYSRKPOP-UHFFFAOYSA-N -1 0 334.422 3.396 20 30 EGEDRM C=CCc1cc(C(=O)Oc2ccccc2C(=O)[O-])cc(OC)c1OC ZINC001588885479 984468034 /nfs/dbraw/zinc/46/80/34/984468034.db2.gz MOEXNEZWAUXXIW-UHFFFAOYSA-N -1 0 342.347 3.350 20 30 EGEDRM CCOCc1cc(/C=C\C(=O)c2cc(C(=O)[O-])co2)ccc1OC ZINC001596946504 986097722 /nfs/dbraw/zinc/09/77/22/986097722.db2.gz SOBMLTXHLHAMRA-XQRVVYSFSA-N -1 0 330.336 3.419 20 30 EGEDRM C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001589331861 986193551 /nfs/dbraw/zinc/19/35/51/986193551.db2.gz QTZYKOSGXACNCG-UPJWGTAASA-N -1 0 347.440 3.313 20 30 EGEDRM C[C@@H](C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc(F)c(F)c1 ZINC001589541104 987252194 /nfs/dbraw/zinc/25/21/94/987252194.db2.gz YMULVYJFCBCDRR-QLJPJBMISA-N -1 0 345.301 3.309 20 30 EGEDRM CC(C)(C#N)CC(=O)O[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001589554053 987296953 /nfs/dbraw/zinc/29/69/53/987296953.db2.gz TXVNJXLHCUUVNF-GFCCVEGCSA-N -1 0 329.274 3.471 20 30 EGEDRM CC(C)(C#N)CC[S@@](=O)Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001589554595 987301357 /nfs/dbraw/zinc/30/13/57/987301357.db2.gz GIBKCZDXEKVYAT-XMMPIXPASA-N -1 0 346.408 3.228 20 30 EGEDRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2[nH]c3ccccc3c2C#N)C1 ZINC001589611329 987462109 /nfs/dbraw/zinc/46/21/09/987462109.db2.gz GCGALKMOABFLDJ-LBPRGKRZSA-N -1 0 339.395 3.003 20 30 EGEDRM CCc1[nH]c(C(=O)NCc2ccc(C#N)c(Cl)c2)c(C)c1C(=O)[O-] ZINC001597369327 987554040 /nfs/dbraw/zinc/55/40/40/987554040.db2.gz SOSYNFLWTWAYOA-UHFFFAOYSA-N -1 0 345.786 3.039 20 30 EGEDRM CC(C)(C(=O)[O-])c1ccc(NC(=O)NCc2ccc(C#N)s2)cc1 ZINC001589637529 987556550 /nfs/dbraw/zinc/55/65/50/987556550.db2.gz DPTPSOQNYBZZSB-UHFFFAOYSA-N -1 0 343.408 3.304 20 30 EGEDRM CCc1ccc(C#CC(=O)NC2(C(=O)[O-])CCC(CC)CC2)cc1 ZINC001597494667 988037279 /nfs/dbraw/zinc/03/72/79/988037279.db2.gz FFIGKGBXJLXAKZ-UHFFFAOYSA-N -1 0 327.424 3.140 20 30 EGEDRM CCc1ccc(C#CC(=O)N[C@H](CC(=O)[O-])c2cccc(C)c2)cc1 ZINC001597495432 988042830 /nfs/dbraw/zinc/04/28/30/988042830.db2.gz VYVJRSNPHWLTOZ-LJQANCHMSA-N -1 0 335.403 3.241 20 30 EGEDRM CCc1nnc(NC[C@@H](CC2CCCC2)C(=O)[O-])c(C#N)c1CC ZINC001597734818 989071786 /nfs/dbraw/zinc/07/17/86/989071786.db2.gz HXNLVIFIJDWODB-CYBMUJFWSA-N -1 0 330.432 3.166 20 30 EGEDRM CN(C(=O)[C@@H](C#N)CCc1ccccc1)[C@H](C(=O)[O-])c1ccccc1 ZINC001597989667 990075531 /nfs/dbraw/zinc/07/55/31/990075531.db2.gz CXKWRRSDOQEYJR-MSOLQXFVSA-N -1 0 336.391 3.043 20 30 EGEDRM CN(C(=O)CSCc1ccccc1C(=O)[O-])C1(C#N)CCCCC1 ZINC001598033111 990253635 /nfs/dbraw/zinc/25/36/35/990253635.db2.gz HEJHQCDEMRWRCO-UHFFFAOYSA-N -1 0 346.452 3.303 20 30 EGEDRM CC(C)[C@H](Cc1ccccc1)NN=Cc1cccn1[C@@H](C)C(=O)[O-] ZINC001590993085 991210344 /nfs/dbraw/zinc/21/03/44/991210344.db2.gz GQCSPQINHKLWBM-YJBOKZPZSA-N -1 0 327.428 3.325 20 30 EGEDRM CN(Cc1cccc(C#N)c1)c1ncc(C(=O)[O-])cc1C(F)(F)F ZINC001598525584 992715376 /nfs/dbraw/zinc/71/53/76/992715376.db2.gz UFIHHOGOYWLPOA-UHFFFAOYSA-N -1 0 335.285 3.307 20 30 EGEDRM COc1ccc(Oc2ccc(CN(CC#N)CCC(=O)[O-])cc2)cc1 ZINC001599608837 993924250 /nfs/dbraw/zinc/92/42/50/993924250.db2.gz SNFBWJUMCXXOPX-UHFFFAOYSA-N -1 0 340.379 3.288 20 30 EGEDRM COc1ccc2ncc(C#N)c(OCc3ccsc3C(=O)[O-])c2c1 ZINC001599637503 994310290 /nfs/dbraw/zinc/31/02/90/994310290.db2.gz FKPHNACELOITMD-UHFFFAOYSA-N -1 0 340.360 3.454 20 30 EGEDRM C[C@H](Nc1nc(C(F)(F)F)ccc1C#N)c1ncc(C(=O)[O-])s1 ZINC001593374161 995072456 /nfs/dbraw/zinc/07/24/56/995072456.db2.gz PGGBABLECLFUMP-LURJTMIESA-N -1 0 342.302 3.300 20 30 EGEDRM C[C@]1(C#N)CCCN([C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)C1 ZINC001593743180 996366046 /nfs/dbraw/zinc/36/60/46/996366046.db2.gz PYPXRANKZCZQMC-UKRRQHHQSA-N -1 0 326.318 3.457 20 30 EGEDRM COc1ccc(/C=C/C(=O)c2cc(C(=O)[O-])cs2)cc1[N+](=O)[O-] ZINC001599544473 997900819 /nfs/dbraw/zinc/90/08/19/997900819.db2.gz SBMPTXMIHGBJBU-DUXPYHPUSA-N -1 0 333.321 3.259 20 30 EGEDRM COc1cc(OCCCOc2cccc(C#N)c2)ccc1C(=O)[O-] ZINC001599456658 998199371 /nfs/dbraw/zinc/19/93/71/998199371.db2.gz HZTRPMMZNBTLAS-UHFFFAOYSA-N -1 0 327.336 3.113 20 30 EGEDRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC001594156981 998573108 /nfs/dbraw/zinc/57/31/08/998573108.db2.gz PCKVMAFKPRHRJA-BEFAXECRSA-N -1 0 348.402 3.413 20 30 EGEDRM C[C@@H]1[C@H](C(=O)[O-])CCN1c1c(C#N)cnc2ccc(OC(F)F)cc21 ZINC001594170980 998656489 /nfs/dbraw/zinc/65/64/89/998656489.db2.gz NZAYOCAASWBSPD-BXKDBHETSA-N -1 0 347.321 3.007 20 30 EGEDRM C[C@@H]1[C@@H](C(=O)[O-])CCN1c1c(C#N)cnc2c(F)ccc(Cl)c21 ZINC001594170888 998656666 /nfs/dbraw/zinc/65/66/66/998656666.db2.gz LWGQTIOYRJOLJI-SCZZXKLOSA-N -1 0 333.750 3.198 20 30 EGEDRM COC(=O)c1cccc(COc2ccc(Cl)cc2C(=O)[O-])c1C#N ZINC001598993934 998761892 /nfs/dbraw/zinc/76/18/92/998761892.db2.gz LDOKODYHZBDXDG-UHFFFAOYSA-N -1 0 345.738 3.275 20 30 EGEDRM C[C@H]1C[C@H](CON=C(CCCCC(=O)[O-])C(F)(F)F)CCO1 ZINC001594242394 998920460 /nfs/dbraw/zinc/92/04/60/998920460.db2.gz HIIJNXZJJQQWNT-WDEREUQCSA-N -1 0 325.327 3.381 20 30 EGEDRM C[C@H]1CCc2c(C#N)c(NC(=O)c3cc(C(=O)[O-])co3)sc2C1 ZINC001594444628 999634679 /nfs/dbraw/zinc/63/46/79/999634679.db2.gz WWZQTLHVKSFOFM-QMMMGPOBSA-N -1 0 330.365 3.288 20 30 EGEDRM N#Cc1nc(NC(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2Cl)[n-]c1C#N ZINC000095393138 218324947 /nfs/dbraw/zinc/32/49/47/218324947.db2.gz BIYSYZAPOCSBBP-ZJUUUORDSA-N -1 0 346.177 3.202 20 30 EGEDRM CCc1c([N-]S(=O)(=O)c2ccc(C#N)cc2)cnn1C(CC)CC ZINC000359653587 141398836 /nfs/dbraw/zinc/39/88/36/141398836.db2.gz VGBKQILDZMPMNF-UHFFFAOYSA-N -1 0 346.456 3.479 20 30 EGEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(Cl)ccc1C ZINC000184773857 144099690 /nfs/dbraw/zinc/09/96/90/144099690.db2.gz MMWQMFCHEKBQIP-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM Cc1ccsc1S(=O)(=O)[N-]c1cc(C#N)c2ccccc2n1 ZINC000351219911 144260229 /nfs/dbraw/zinc/26/02/29/144260229.db2.gz ICSXJFGLDAIMGK-UHFFFAOYSA-N -1 0 329.406 3.277 20 30 EGEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1cc(F)ccc1OCC1CC1 ZINC000189477019 153073660 /nfs/dbraw/zinc/07/36/60/153073660.db2.gz KDXHYSVRXWQRME-UHFFFAOYSA-N -1 0 346.383 3.287 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)NCc2ccc3ccccc3c2)cc1C#N ZINC000074384339 161685812 /nfs/dbraw/zinc/68/58/12/161685812.db2.gz QZVNJOCJSHEQQL-UHFFFAOYSA-N -1 0 349.415 3.464 20 30 EGEDRM N#Cc1nc(NC(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)[n-]c1C#N ZINC000108890073 162087703 /nfs/dbraw/zinc/08/77/03/162087703.db2.gz NHCFSDUVPARVGS-LSDHHAIUSA-N -1 0 327.347 3.048 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nc(C3CC3)cs2)c(Cl)c1 ZINC000126553576 162307201 /nfs/dbraw/zinc/30/72/01/162307201.db2.gz YTOVVOOUVNEYLZ-UHFFFAOYSA-N -1 0 339.829 3.346 20 30 EGEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1ccccc1OCC(F)F ZINC000130975573 162386473 /nfs/dbraw/zinc/38/64/73/162386473.db2.gz AHNHCHNVNXOKGD-UHFFFAOYSA-N -1 0 338.335 3.003 20 30 EGEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1ccccc1Oc1ccncc1 ZINC000359719894 167213593 /nfs/dbraw/zinc/21/35/93/167213593.db2.gz UOCYLONYSRJLEW-UHFFFAOYSA-N -1 0 345.362 3.020 20 30 EGEDRM Cc1coc(-c2cc([N-]S(=O)(=O)c3ccc(C#N)o3)ccc2C)n1 ZINC000367450623 168227702 /nfs/dbraw/zinc/22/77/02/168227702.db2.gz KXNWEHRPXSVACA-UHFFFAOYSA-N -1 0 343.364 3.224 20 30 EGEDRM CSc1c(F)cc([N-]S(=O)(=O)c2ccc(C#N)s2)cc1F ZINC000435477556 269810492 /nfs/dbraw/zinc/81/04/92/269810492.db2.gz BLKZUECVXYYEHJ-UHFFFAOYSA-N -1 0 346.405 3.421 20 30 EGEDRM CC(C)n1cc(C#N)c(=NC(=O)[C@H]2CC(C)(C)Oc3ccccc32)[n-]1 ZINC000415252145 270047741 /nfs/dbraw/zinc/04/77/41/270047741.db2.gz GHHDEZCPOVOGJE-HNNXBMFYSA-N -1 0 338.411 3.041 20 30 EGEDRM Cc1[n-][nH]c(=NC(=O)c2ccc(-c3ccc(C)cc3)cc2F)c1C#N ZINC000431696458 270050075 /nfs/dbraw/zinc/05/00/75/270050075.db2.gz ZFEBDQYTHVIFQX-UHFFFAOYSA-N -1 0 334.354 3.379 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)C3CCC3)cc2)s1 ZINC000435500963 270051293 /nfs/dbraw/zinc/05/12/93/270051293.db2.gz JFSGSZBWPHQKSH-UHFFFAOYSA-N -1 0 346.433 3.403 20 30 EGEDRM Cc1ccc(F)cc1-c1n[n-]c(=NC(=O)c2cc(C#N)cs2)s1 ZINC000469878481 270055154 /nfs/dbraw/zinc/05/51/54/270055154.db2.gz GHKHADTXAIWIJU-UHFFFAOYSA-N -1 0 344.396 3.260 20 30 EGEDRM CCCc1ccc(S(=O)(=O)[N-]c2nn(C(C)(C)C)cc2C#N)cc1 ZINC000178733278 266085590 /nfs/dbraw/zinc/08/55/90/266085590.db2.gz QGFVERZDSGPOCF-UHFFFAOYSA-N -1 0 346.456 3.263 20 30 EGEDRM CCCCCn1nc(C)cc1[N-]S(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000446807768 267003649 /nfs/dbraw/zinc/00/36/49/267003649.db2.gz DVFLYUCEICMAIE-UHFFFAOYSA-N -1 0 346.456 3.363 20 30 EGEDRM CCCCCc1ccc([N-]S(=O)(=O)c2ccc(C#N)nc2)cc1 ZINC000509649864 267004544 /nfs/dbraw/zinc/00/45/44/267004544.db2.gz IZDVNQTYQDBUBK-UHFFFAOYSA-N -1 0 329.425 3.487 20 30 EGEDRM CC[C@@H](C(=O)N=c1[n-]n(C(C)(C)C)cc1C#N)c1ccc(F)cc1 ZINC000415252124 267183491 /nfs/dbraw/zinc/18/34/91/267183491.db2.gz GGDNANDEJMEXOA-OAHLLOKOSA-N -1 0 328.391 3.203 20 30 EGEDRM Cc1cc(NC(=O)c2ccc(C#N)c([O-])c2)n(-c2ccc(F)cc2)n1 ZINC000187854816 267345954 /nfs/dbraw/zinc/34/59/54/267345954.db2.gz OIOALGPSALLXKG-UHFFFAOYSA-N -1 0 336.326 3.149 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cn1 ZINC000164940835 268208239 /nfs/dbraw/zinc/20/82/39/268208239.db2.gz YCOCOZAGDWYZNI-UHFFFAOYSA-N -1 0 328.180 3.061 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2OC(F)(F)F)s1 ZINC000318975849 268208323 /nfs/dbraw/zinc/20/83/23/268208323.db2.gz ZXORRTCVSFKKKC-UHFFFAOYSA-N -1 0 348.327 3.319 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cnc3ccccc3c2)cc1F ZINC000427129804 268260965 /nfs/dbraw/zinc/26/09/65/268260965.db2.gz BASNGJGBCJKRMP-UHFFFAOYSA-N -1 0 327.340 3.046 20 30 EGEDRM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cc(C#N)c2ccccc2n1 ZINC000508124476 312089130 /nfs/dbraw/zinc/08/91/30/312089130.db2.gz HLUDNNCKWAXYLN-UHFFFAOYSA-N -1 0 341.367 3.355 20 30 EGEDRM N#Cc1cccnc1Sc1n[n-]c(=NCCc2ccccc2)s1 ZINC000560639584 315714997 /nfs/dbraw/zinc/71/49/97/315714997.db2.gz DAKQFZPNOFMZNJ-UHFFFAOYSA-N -1 0 339.449 3.032 20 30 EGEDRM N#Cc1c[nH]c(C(=O)Nc2c([O-])cc(Br)cc2Cl)c1 ZINC000563947832 316096024 /nfs/dbraw/zinc/09/60/24/316096024.db2.gz LNLNPQZZGOSHFJ-UHFFFAOYSA-N -1 0 340.564 3.260 20 30 EGEDRM N#Cc1ccccc1[N-]S(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000007056962 323211499 /nfs/dbraw/zinc/21/14/99/323211499.db2.gz HNSSTEDQIMFWSD-UHFFFAOYSA-N -1 0 342.298 3.258 20 30 EGEDRM CCOc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2F)ccc1C ZINC000580471996 325255872 /nfs/dbraw/zinc/25/58/72/325255872.db2.gz AUAKLBACIYKHPL-UHFFFAOYSA-N -1 0 334.372 3.205 20 30 EGEDRM CC(C)(C)C[C@H]([N-]S(=O)(=O)CC(C)(C)CC#N)C(F)(F)F ZINC000451381192 458474477 /nfs/dbraw/zinc/47/44/77/458474477.db2.gz ZUSORLZNYGJJBS-JTQLQIEISA-N -1 0 328.400 3.213 20 30 EGEDRM N#Cc1nc(NC(=O)c2ccc(Oc3ccc(F)cc3)cc2)[n-]c1C#N ZINC000026269816 453795469 /nfs/dbraw/zinc/79/54/69/453795469.db2.gz QTZUXEMIFPXZES-UHFFFAOYSA-N -1 0 347.309 3.337 20 30 EGEDRM CSc1cccc(NC(=O)c2cc(C#N)c(SC)[n-]c2=O)c1 ZINC000027605961 453819414 /nfs/dbraw/zinc/81/94/14/453819414.db2.gz UJAXQRJSYODFBU-UHFFFAOYSA-N -1 0 331.422 3.355 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2ccc(OCC(F)(F)F)nc2)n1 ZINC000041516993 453970352 /nfs/dbraw/zinc/97/03/52/453970352.db2.gz ZTLQCLIJDDSBBL-SNVBAGLBSA-N -1 0 341.314 3.278 20 30 EGEDRM CCOC(=O)Nc1ccc(C([O-])=C(C#N)c2cc(C)nc(C)n2)cc1 ZINC000041562332 453972272 /nfs/dbraw/zinc/97/22/72/453972272.db2.gz NAGTWSRDZDWOSP-OAHLLOKOSA-N -1 0 338.367 3.152 20 30 EGEDRM COCCOc1ccccc1C(=O)[C@H](C#N)c1cnc2ccccc2n1 ZINC000190890692 455397988 /nfs/dbraw/zinc/39/79/88/455397988.db2.gz VYQXGOINXHADHE-OAHLLOKOSA-N -1 0 347.374 3.145 20 30 EGEDRM Cc1ccc2nc([N-]S(=O)(=O)c3ccc(C#N)cc3)sc2c1 ZINC000057717570 454143640 /nfs/dbraw/zinc/14/36/40/454143640.db2.gz RWIWYRQKRMLIRR-UHFFFAOYSA-N -1 0 329.406 3.277 20 30 EGEDRM COC(=O)c1[nH]c(C)c(C([O-])=C(C#N)c2nc(C(C)C)cs2)c1C ZINC000132474261 454342844 /nfs/dbraw/zinc/34/28/44/454342844.db2.gz BCUPXSUETMPALN-NSHDSACASA-N -1 0 345.424 3.488 20 30 EGEDRM COc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000078998756 454352341 /nfs/dbraw/zinc/35/23/41/454352341.db2.gz YJTYYINRRGKBIP-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000063878682 454457672 /nfs/dbraw/zinc/45/76/72/454457672.db2.gz HRAHSQOAEUQFAL-UHFFFAOYSA-N -1 0 326.299 3.085 20 30 EGEDRM C=CCN1C(=O)c2ccccc2N[C@H]1c1ccc([N+](=O)[O-])c([O-])c1 ZINC000133714848 454458813 /nfs/dbraw/zinc/45/88/13/454458813.db2.gz GONYIIYBBNTOGQ-MRXNPFEDSA-N -1 0 325.324 3.053 20 30 EGEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000064479178 454485696 /nfs/dbraw/zinc/48/56/96/454485696.db2.gz KKXRDUARSUKBRX-UHFFFAOYSA-N -1 0 340.763 3.160 20 30 EGEDRM O=C(C=Cc1c(F)cccc1F)[N-]S(=O)(=O)c1cccs1 ZINC000048448558 454490248 /nfs/dbraw/zinc/49/02/48/454490248.db2.gz KRSJNVOKXVFJKY-VOTSOKGWSA-N -1 0 329.349 3.385 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)c(C)c1 ZINC000048475093 454492168 /nfs/dbraw/zinc/49/21/68/454492168.db2.gz JMAMKTAEMDRSQR-YIONKMFJSA-N -1 0 349.452 3.344 20 30 EGEDRM CCOc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)CC)cc1OCC ZINC000048493967 454493288 /nfs/dbraw/zinc/49/32/88/454493288.db2.gz DWHAVTBNYAUFFG-NSHDSACASA-N -1 0 329.418 3.175 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2ccccc2OC[C@H]2CCCO2)n1 ZINC000073974579 454510544 /nfs/dbraw/zinc/51/05/44/454510544.db2.gz RMMKTMIDLLBPIC-HIFRSBDPSA-N -1 0 342.420 3.499 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2cccnc2OCC(F)(F)F)n1 ZINC000122302848 454520349 /nfs/dbraw/zinc/52/03/49/454520349.db2.gz RYXSMESANGJPKI-SNVBAGLBSA-N -1 0 341.314 3.278 20 30 EGEDRM CC(C)c1csc(C(C#N)=C([O-])c2cnn(C)c2-n2cccc2)n1 ZINC000080458104 454583527 /nfs/dbraw/zinc/58/35/27/454583527.db2.gz MJZKXOXVWMALPO-GFCCVEGCSA-N -1 0 339.424 3.281 20 30 EGEDRM CC(C)(C)c1[n-]n(Cc2cccc([N+](=O)[O-])c2)c(=O)c1CCC#N ZINC000153475659 454798003 /nfs/dbraw/zinc/79/80/03/454798003.db2.gz SJWZFHSJZNPCOY-UHFFFAOYSA-N -1 0 328.372 3.299 20 30 EGEDRM CC(C)c1[n-]n(-c2ccccc2)c(=O)c1C(=O)Nc1cccc(C#N)c1 ZINC000155599039 455021351 /nfs/dbraw/zinc/02/13/51/455021351.db2.gz QYRLOEXZTZCZLM-KRWDZBQOSA-N -1 0 346.390 3.172 20 30 EGEDRM C=CCN(CCc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179459543 455049173 /nfs/dbraw/zinc/04/91/73/455049173.db2.gz HONANRNKXVFZPT-UHFFFAOYSA-N -1 0 326.352 3.171 20 30 EGEDRM CCOc1cccc([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)c1 ZINC000129152783 455100226 /nfs/dbraw/zinc/10/02/26/455100226.db2.gz AAAQKWUTKBJHSK-UHFFFAOYSA-N -1 0 338.335 3.036 20 30 EGEDRM N#Cc1c(Cl)cccc1S(=O)(=O)N[C@H]1CCCc2occc21 ZINC000156363302 455109470 /nfs/dbraw/zinc/10/94/70/455109470.db2.gz VKJMRNIEVHQHHP-ZDUSSCGKSA-N -1 0 336.800 3.161 20 30 EGEDRM COC(=O)c1ccccc1Cn1[n-]c(C(C)(C)C)c(CCC#N)c1=O ZINC000182938920 455195119 /nfs/dbraw/zinc/19/51/19/455195119.db2.gz KIRFUTIFSHAILP-UHFFFAOYSA-N -1 0 341.411 3.177 20 30 EGEDRM Cc1cccc(S(=O)(=O)[N-]c2ncccc2OCCCC#N)c1F ZINC000181042069 455280447 /nfs/dbraw/zinc/28/04/47/455280447.db2.gz GDFDJZUYPFOYIY-UHFFFAOYSA-N -1 0 349.387 3.013 20 30 EGEDRM Cc1nn(C(C)(C)C)cc1C([O-])=C(C#N)c1cnc2ccccc2n1 ZINC000190912637 455403932 /nfs/dbraw/zinc/40/39/32/455403932.db2.gz CQNSANUMXONBHT-CYBMUJFWSA-N -1 0 333.395 3.380 20 30 EGEDRM CCc1noc2ncc(C([O-])=C(C#N)c3cnc4ccccc4n3)cc12 ZINC000190963034 455415564 /nfs/dbraw/zinc/41/55/64/455415564.db2.gz YANMEZMODSEMNX-ZDUSSCGKSA-N -1 0 343.346 3.218 20 30 EGEDRM CCc1ccc(-c2ccc(C(=O)Nc3nc(C#N)c(C#N)[n-]3)o2)cc1 ZINC000175293595 455435449 /nfs/dbraw/zinc/43/54/49/455435449.db2.gz HAWQIUJDVYFWSJ-UHFFFAOYSA-N -1 0 331.335 3.228 20 30 EGEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1c(C)cccc1SC ZINC000185334480 455542893 /nfs/dbraw/zinc/54/28/93/455542893.db2.gz JZZBQDOPWCCLGT-UHFFFAOYSA-N -1 0 348.449 3.398 20 30 EGEDRM CCCn1nc(C)c(/C=C/C(=O)c2ccc(CC(=O)[O-])cc2)c1C ZINC000268359839 455661609 /nfs/dbraw/zinc/66/16/09/455661609.db2.gz WJWIGJPLKZVQER-MDZDMXLPSA-N -1 0 326.396 3.433 20 30 EGEDRM CC(=O)c1cc(C([O-])=C(C#N)c2nnc3n2CCCCC3)ccc1C ZINC000192793529 455694558 /nfs/dbraw/zinc/69/45/58/455694558.db2.gz ASHCSMVPOHQGQC-INIZCTEOSA-N -1 0 336.395 3.006 20 30 EGEDRM N#Cc1c(F)ccc(CN=c2[n-]nc([C@H]3CCCO3)s2)c1Cl ZINC000601067924 460697683 /nfs/dbraw/zinc/69/76/83/460697683.db2.gz FJJYBRQRHQZCSQ-LLVKDONJSA-N -1 0 338.795 3.088 20 30 EGEDRM CCc1ccccc1S(=O)(=O)[N-]c1ncccc1OCCCC#N ZINC000188029995 455982086 /nfs/dbraw/zinc/98/20/86/455982086.db2.gz HOAQJXFWHNQMKC-UHFFFAOYSA-N -1 0 345.424 3.127 20 30 EGEDRM C=CCC(CC=C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000262185434 456008891 /nfs/dbraw/zinc/00/88/91/456008891.db2.gz QMPJAZMNJOBNRF-QGZVFWFLSA-N -1 0 326.396 3.048 20 30 EGEDRM Cc1cccc(NC(=O)c2ccc(C#N)c([O-])c2)c1C(=O)N1CCCC1 ZINC000188309740 456040432 /nfs/dbraw/zinc/04/04/32/456040432.db2.gz GBSZOORRNAGNIK-UHFFFAOYSA-N -1 0 349.390 3.061 20 30 EGEDRM CC(C)NC(=O)Nc1ccccc1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000188319373 456042977 /nfs/dbraw/zinc/04/29/77/456042977.db2.gz NZWFENSRKPFMQX-UHFFFAOYSA-N -1 0 338.367 3.046 20 30 EGEDRM Cc1ccnc(-c2ccc(NC(=O)c3ccc(C#N)c([O-])c3)cc2)n1 ZINC000188661072 456106793 /nfs/dbraw/zinc/10/67/93/456106793.db2.gz FAPMYMDSHYABNO-UHFFFAOYSA-N -1 0 330.347 3.282 20 30 EGEDRM COc1cc(/C=C/C(=O)c2cnn(C(C)C)c2C)cc([N+](=O)[O-])c1[O-] ZINC000188894456 456164542 /nfs/dbraw/zinc/16/45/42/456164542.db2.gz PIVJACDNMZDQTM-AATRIKPKSA-N -1 0 345.355 3.291 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)[C@H](C)c1ccc(Br)cc1)C(=O)[O-] ZINC000630319937 461094549 /nfs/dbraw/zinc/09/45/49/461094549.db2.gz LJEFXESJURJJSR-ZWNOBZJWSA-N -1 0 340.217 3.088 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2c(C#N)cnn2C2CCCC2)c(C)c1 ZINC000337739055 456516549 /nfs/dbraw/zinc/51/65/49/456516549.db2.gz AJCVUWLBBYEFLV-UHFFFAOYSA-N -1 0 344.440 3.288 20 30 EGEDRM C[C@H]1C[C@@H](C([O-])=Nc2cccn(CC(F)(F)F)c2=O)CCC1=O ZINC000328958321 456801232 /nfs/dbraw/zinc/80/12/32/456801232.db2.gz PPUQFOVKBURUEB-UWVGGRQHSA-N -1 0 330.306 3.004 20 30 EGEDRM COCCOc1cncc(C([O-])=C(C#N)c2nc(C(C)C)cs2)c1 ZINC000338673844 456850739 /nfs/dbraw/zinc/85/07/39/456850739.db2.gz ISGXPDFXOGBMAV-AWEZNQCLSA-N -1 0 345.424 3.177 20 30 EGEDRM CCn1nncc1C([O-])=C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000344855299 456869028 /nfs/dbraw/zinc/86/90/28/456869028.db2.gz NJUZELQSVQCEIF-SECBINFHSA-N -1 0 331.788 3.051 20 30 EGEDRM C[C@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])[C@H]1OCCc2sccc21 ZINC000292192123 456880825 /nfs/dbraw/zinc/88/08/25/456880825.db2.gz ZBMAKAQQPNWXHI-PSVXHJADSA-N -1 0 332.381 3.483 20 30 EGEDRM CC[C@@H]1CC[C@H](C(=O)NCc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)O1 ZINC000329771612 456938520 /nfs/dbraw/zinc/93/85/20/456938520.db2.gz KATLHGHAQBJRQN-HBUWYVDXSA-N -1 0 345.399 3.200 20 30 EGEDRM CC(C)c1csc(C(C#N)=C([O-])c2ccnc(-n3cccn3)c2)n1 ZINC000353876866 456946284 /nfs/dbraw/zinc/94/62/84/456946284.db2.gz NCHWMNJENGHWAX-ZDUSSCGKSA-N -1 0 337.408 3.337 20 30 EGEDRM CC1(C)CC[C@H](CNC(=O)c2cccc([C@@]3(C)NC(=O)NC3=O)c2)O1 ZINC000330252382 457012924 /nfs/dbraw/zinc/01/29/24/457012924.db2.gz OHPVUJCVFXXWJS-FZKQIMNGSA-N -1 0 345.399 3.048 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)nn1C(F)F ZINC000342018210 457062333 /nfs/dbraw/zinc/06/23/33/457062333.db2.gz MVCQMFRWIRPJOU-SECBINFHSA-N -1 0 344.243 3.491 20 30 EGEDRM CSc1nc(C(C)C)nc(C)c1C([O-])=Nc1cc(C)cn(C)c1=O ZINC000331153976 457139472 /nfs/dbraw/zinc/13/94/72/457139472.db2.gz VEWRUQLXACFGPZ-UHFFFAOYSA-N -1 0 346.456 3.274 20 30 EGEDRM CC(C)(O)CCNC(=O)c1cc(Br)cc(Cl)c1[O-] ZINC000331237458 457150880 /nfs/dbraw/zinc/15/08/80/457150880.db2.gz NEGJMPGLLARELG-UHFFFAOYSA-N -1 0 336.613 3.274 20 30 EGEDRM N#CC(=C([O-])c1ccc(COc2ccc(F)cc2)o1)c1ccncn1 ZINC000354460925 457238440 /nfs/dbraw/zinc/23/84/40/457238440.db2.gz GHFSIXYVGVSHLP-HNNXBMFYSA-N -1 0 337.310 3.278 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2scnc2-c2ccccc2)o1 ZINC000342449900 457309992 /nfs/dbraw/zinc/30/99/92/457309992.db2.gz OOTKZLWADRUPON-UHFFFAOYSA-N -1 0 331.378 3.076 20 30 EGEDRM C=CCCCC(=O)N=c1cc(-c2ccn(Cc3ccccc3)n2)[n-][nH]1 ZINC000360446710 457312014 /nfs/dbraw/zinc/31/20/14/457312014.db2.gz WLPLHIZJOKLBPS-UHFFFAOYSA-N -1 0 335.411 3.038 20 30 EGEDRM CC[C@@H](C)Oc1cc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)ccn1 ZINC000347292643 457334570 /nfs/dbraw/zinc/33/45/70/457334570.db2.gz CFCXUEWWRWMNPU-TZMCWYRMSA-N -1 0 349.394 3.329 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)N[C@@H](C)c2c(C)cccc2C)cc1C#N ZINC000355175528 457345079 /nfs/dbraw/zinc/34/50/79/457345079.db2.gz UBDVOKBSJJCPDE-LBPRGKRZSA-N -1 0 341.436 3.489 20 30 EGEDRM N#CCc1ccccc1S(=O)(=O)[N-]c1cccc2ccc(O)cc21 ZINC000355827509 457421158 /nfs/dbraw/zinc/42/11/58/457421158.db2.gz FDZKAJSYEAUVOM-UHFFFAOYSA-N -1 0 338.388 3.412 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2C#N)cc1F ZINC000357460800 457544051 /nfs/dbraw/zinc/54/40/51/457544051.db2.gz BUBGXZNHSBNLQB-UHFFFAOYSA-N -1 0 335.747 3.023 20 30 EGEDRM C=CCOc1ccccc1C=Cc1nc(C)c(CCC(=O)[O-])c(=O)[nH]1 ZINC000443445997 457767028 /nfs/dbraw/zinc/76/70/28/457767028.db2.gz SCVAWEXXDILHRH-NTMALXAHSA-N -1 0 340.379 3.243 20 30 EGEDRM N#CC(=C([O-])c1cn2ccnc2s1)c1ccc(C(F)(F)F)cn1 ZINC000443529573 457777251 /nfs/dbraw/zinc/77/72/51/457777251.db2.gz HAFIPARKKFFXFU-SECBINFHSA-N -1 0 336.298 3.300 20 30 EGEDRM Cc1nc(CNCc2cccc(OCCCC#N)c2)sc1C(=O)[O-] ZINC000426697685 457878263 /nfs/dbraw/zinc/87/82/63/457878263.db2.gz VEAUIDJRXPQNQF-UHFFFAOYSA-N -1 0 345.424 3.122 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2OC(F)F)cc1F ZINC000427118186 457945157 /nfs/dbraw/zinc/94/51/57/457945157.db2.gz UIQAMZAKJWPTLE-UHFFFAOYSA-N -1 0 342.298 3.100 20 30 EGEDRM CC(C)c1cnc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)s1 ZINC000427795958 458036626 /nfs/dbraw/zinc/03/66/26/458036626.db2.gz GFZNSYXHDGQQAS-UHFFFAOYSA-N -1 0 325.390 3.078 20 30 EGEDRM CC(C)n1ncc2ccc([N-]S(=O)(=O)c3ccc(C#N)s3)cc21 ZINC000435486234 458153483 /nfs/dbraw/zinc/15/34/83/458153483.db2.gz FQRFKZSHTZMADC-UHFFFAOYSA-N -1 0 346.437 3.351 20 30 EGEDRM CC(C)(CC#N)CNC(=O)c1cc(Cl)cc(Br)c1[O-] ZINC000412416407 458197640 /nfs/dbraw/zinc/19/76/40/458197640.db2.gz JEVJKCNBLDIBRC-UHFFFAOYSA-N -1 0 345.624 3.478 20 30 EGEDRM CC(C)c1ccc(-n2cc([O-])c(C(=O)NCC3(C#N)CCC3)n2)cc1 ZINC000416346279 458343544 /nfs/dbraw/zinc/34/35/44/458343544.db2.gz KRRGLLPASIYCDX-UHFFFAOYSA-N -1 0 338.411 3.125 20 30 EGEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1cnn(-c2ccc(C)cc2)c1C(C)C ZINC000416959925 458358272 /nfs/dbraw/zinc/35/82/72/458358272.db2.gz NOWAECKMOCPFRS-HNNXBMFYSA-N -1 0 346.456 3.348 20 30 EGEDRM C=CCC[C@@H](NC(=O)c1cccc2c3c([nH]c21)CCCC3)C(=O)[O-] ZINC000448991739 458418259 /nfs/dbraw/zinc/41/82/59/458418259.db2.gz JZHIGAOMLRLUCS-MRXNPFEDSA-N -1 0 326.396 3.196 20 30 EGEDRM CC(C)(C)Oc1ccc([N-]S(=O)(=O)c2ccc(C#N)o2)cc1C#N ZINC000451087625 458464991 /nfs/dbraw/zinc/46/49/91/458464991.db2.gz PFBHCSWIFJHKFT-UHFFFAOYSA-N -1 0 345.380 3.001 20 30 EGEDRM N#C[C@H]1N(C(=O)c2ccc([O-])c(Cl)c2)CCC[C@]12CCCCO2 ZINC000377274488 458495134 /nfs/dbraw/zinc/49/51/34/458495134.db2.gz ZSKCAMLOMNGZHE-NVXWUHKLSA-N -1 0 334.803 3.113 20 30 EGEDRM CC(C)[C@@H](C#N)NS(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000468820458 458538355 /nfs/dbraw/zinc/53/83/55/458538355.db2.gz DZHFSJFQVLZUGP-LLVKDONJSA-N -1 0 328.846 3.381 20 30 EGEDRM C=C(C)CN(C)C(=O)N=c1[n-]nc(-c2ccc(Cl)cc2F)s1 ZINC000471317386 458689260 /nfs/dbraw/zinc/68/92/60/458689260.db2.gz ORUYZQKAWKYRCI-UHFFFAOYSA-N -1 0 340.811 3.459 20 30 EGEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)c1ccccc1SC ZINC000547703459 458776161 /nfs/dbraw/zinc/77/61/61/458776161.db2.gz JWWIKDWTHZZRDU-UHFFFAOYSA-N -1 0 334.422 3.090 20 30 EGEDRM C=CCCc1nc(-c2n[nH]c(-c3cccc(Br)c3)n2)no1 ZINC000551433966 458888758 /nfs/dbraw/zinc/88/87/58/458888758.db2.gz GVKFOAAOUIUDRI-UHFFFAOYSA-N -1 0 346.188 3.403 20 30 EGEDRM C[C@@H](CN=Nc1ccc(C(=O)[O-])cc1F)CNC(=O)OC(C)(C)C ZINC000495879106 458990824 /nfs/dbraw/zinc/99/08/24/458990824.db2.gz ULLOOCUKRYUNDS-SNVBAGLBSA-N -1 0 339.367 3.082 20 30 EGEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1nc(C2CCC2)cs1 ZINC000521183484 459126857 /nfs/dbraw/zinc/12/68/57/459126857.db2.gz DCRWOMBIDSJRFU-UHFFFAOYSA-N -1 0 349.437 3.092 20 30 EGEDRM C=CCCCCCNC(=O)c1cc(C(=O)[O-])n(-c2ccccc2)n1 ZINC000578247236 459170281 /nfs/dbraw/zinc/17/02/81/459170281.db2.gz PBLVWWDIMUPHDA-UHFFFAOYSA-N -1 0 327.384 3.047 20 30 EGEDRM COC(=O)c1cc(Cl)cc(NC(=O)[C@]2(C#N)CC23CCCC3)c1O ZINC000590763664 459207877 /nfs/dbraw/zinc/20/78/77/459207877.db2.gz ZFQRCUUDGLHQGI-QGZVFWFLSA-N -1 0 348.786 3.245 20 30 EGEDRM N#CC(=C([O-])c1coc(C2CCOCC2)n1)c1cnc2ccccc2n1 ZINC000558948415 459225650 /nfs/dbraw/zinc/22/56/50/459225650.db2.gz XMLJFBOOTWDPGR-CYBMUJFWSA-N -1 0 348.362 3.002 20 30 EGEDRM N#CC(=C([O-])c1noc2c1CCCC2)c1cc(C(F)(F)F)ccn1 ZINC000579781359 459252102 /nfs/dbraw/zinc/25/21/02/459252102.db2.gz ZCEBVQKVWYTYLG-LLVKDONJSA-N -1 0 335.285 3.457 20 30 EGEDRM CC(C)C[C@H](CNC(=O)N[C@H](CCC#N)c1ccccc1)CC(=O)[O-] ZINC000595261312 459263848 /nfs/dbraw/zinc/26/38/48/459263848.db2.gz VVXFTQIPKMCNKP-DOTOQJQBSA-N -1 0 345.443 3.468 20 30 EGEDRM C=CCC[C@@H](NC(=O)NCCCSc1ccc(F)cc1)C(=O)[O-] ZINC000583008783 459465756 /nfs/dbraw/zinc/46/57/56/459465756.db2.gz BFQUJBHSWUSUDD-CQSZACIVSA-N -1 0 340.420 3.027 20 30 EGEDRM CC(C)C[C@H](CNC(=O)Nc1cc(C#N)cn1C(C)(C)C)CC(=O)[O-] ZINC000596062450 459504981 /nfs/dbraw/zinc/50/49/81/459504981.db2.gz OVDKARNOHDQFDC-ZDUSSCGKSA-N -1 0 348.447 3.373 20 30 EGEDRM Cc1ccc(Br)cc1-c1n[n-]c(=NC[C@H](C)C#N)s1 ZINC000526046969 459538784 /nfs/dbraw/zinc/53/87/84/459538784.db2.gz ADMSOLRIUGIKMG-MRVPVSSYSA-N -1 0 337.246 3.270 20 30 EGEDRM C=C(C)CN(Cc1ccccc1)C(=O)N=c1[n-]nc(C2CC2)s1 ZINC000571105144 459565041 /nfs/dbraw/zinc/56/50/41/459565041.db2.gz CFIRFTDMVWAOJR-UHFFFAOYSA-N -1 0 328.441 3.448 20 30 EGEDRM Cc1ccc(-c2nnc(S(=O)(=O)CCCCC(C)(C)C#N)[n-]2)cc1 ZINC000562497817 459572956 /nfs/dbraw/zinc/57/29/56/459572956.db2.gz LHLKBMPLKRBZFK-UHFFFAOYSA-N -1 0 346.456 3.274 20 30 EGEDRM C#C[C@H]([N-]S(=O)(=O)[C@H](C)C(F)(F)F)c1ccc(Cl)cc1F ZINC000491787375 459674498 /nfs/dbraw/zinc/67/44/98/459674498.db2.gz VKIGALAPRHQUHS-HQJQHLMTSA-N -1 0 343.729 3.024 20 30 EGEDRM O=C1OCCN1c1cc(N=Cc2cc([N+](=O)[O-])ccc2[O-])ccc1F ZINC000492675776 459716333 /nfs/dbraw/zinc/71/63/33/459716333.db2.gz REPRBFFPWMTTGD-UHFFFAOYSA-N -1 0 345.286 3.147 20 30 EGEDRM C=C(CC)CNc1nc(CN(C)C)nc2sc(C(=O)[O-])c(C)c21 ZINC000573923123 459757438 /nfs/dbraw/zinc/75/74/38/459757438.db2.gz GXOCNJDSYRDHDD-UHFFFAOYSA-N -1 0 334.445 3.138 20 30 EGEDRM CC(C)C[C@@H](C(=O)N=c1[n-]n(C)cc1C#N)c1ccc(Cl)cc1 ZINC000598817406 460050042 /nfs/dbraw/zinc/05/00/42/460050042.db2.gz SNWRXTZDOMLKPF-OAHLLOKOSA-N -1 0 330.819 3.135 20 30 EGEDRM CCOc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000610123705 460066723 /nfs/dbraw/zinc/06/67/23/460066723.db2.gz NPSPVOLUVFLCKO-UHFFFAOYSA-N -1 0 330.409 3.375 20 30 EGEDRM C[C@H](c1ccccc1)N(CC1CCC1)C(=O)N=c1[n-]n(C)cc1C#N ZINC000610564544 460183695 /nfs/dbraw/zinc/18/36/95/460183695.db2.gz IRNYMYJYKFGBMQ-CQSZACIVSA-N -1 0 337.427 3.109 20 30 EGEDRM N#Cc1c[n-][nH]c1=NC(=O)C1(c2c(Cl)cccc2Cl)CCC1 ZINC000601637832 460853643 /nfs/dbraw/zinc/85/36/43/460853643.db2.gz BFSOOZWCWDJYSQ-UHFFFAOYSA-N -1 0 335.194 3.070 20 30 EGEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)c1ccc(OC(C)C)cc1 ZINC000613268351 460888755 /nfs/dbraw/zinc/88/87/55/460888755.db2.gz USJYOCUHYDOGEG-UHFFFAOYSA-N -1 0 346.408 3.155 20 30 EGEDRM C[C@@H](C#N)Cn1[n-]c(-c2ccc(OCc3ccccc3)cc2)cc1=O ZINC000601935261 460951402 /nfs/dbraw/zinc/95/14/02/460951402.db2.gz RSJTYFHJGWMHSI-HNNXBMFYSA-N -1 0 333.391 3.362 20 30 EGEDRM C[C@H](C#N)CSc1ccccc1NC(=O)[C@H]1[C@@H](C(=O)[O-])C1(C)C ZINC000601984534 460971659 /nfs/dbraw/zinc/97/16/59/460971659.db2.gz PBZCRDKJGARGSX-HONMWMINSA-N -1 0 332.425 3.234 20 30 EGEDRM C=C(C)C[C@H](NC(=O)[C@H](C)c1ccc(Br)s1)C(=O)[O-] ZINC000630325821 461095442 /nfs/dbraw/zinc/09/54/42/461095442.db2.gz MJEKWCDDAOUTMP-BDAKNGLRSA-N -1 0 346.246 3.150 20 30 EGEDRM N#CC(=C([O-])c1cn(Cc2ccccc2)nn1)c1nc(C2CC2)cs1 ZINC000647374555 461665425 /nfs/dbraw/zinc/66/54/25/461665425.db2.gz GJHLDAPJBRKFBA-AWEZNQCLSA-N -1 0 349.419 3.150 20 30 EGEDRM COc1ccc2nc(/C=C/c3nc(C#N)cs3)cc(C(=O)[O-])c2c1 ZINC000357146706 537044443 /nfs/dbraw/zinc/04/44/43/537044443.db2.gz IQGDBVGXBVMJBS-GORDUTHDSA-N -1 0 337.360 3.440 20 30 EGEDRM CC(C)c1ncc(C([O-])=C(C#N)c2nnc3n2CCCCC3)s1 ZINC000122683306 546734394 /nfs/dbraw/zinc/73/43/94/546734394.db2.gz FEPZLEYKFLXHHY-NSHDSACASA-N -1 0 329.429 3.074 20 30 EGEDRM COc1ccc(C(C)=NNc2ccccc2C(=O)[O-])cc1NC(C)=O ZINC000726422917 574553427 /nfs/dbraw/zinc/55/34/27/574553427.db2.gz CJUGOLUQJJDIFS-UHFFFAOYSA-N -1 0 341.367 3.188 20 30 EGEDRM COc1ccc2[nH]c(S[C@@H](C(=O)[O-])c3ccc(C#N)cc3)nc2c1 ZINC000738079521 574665591 /nfs/dbraw/zinc/66/55/91/574665591.db2.gz QBAOOTFTJYUELZ-OAHLLOKOSA-N -1 0 339.376 3.361 20 30 EGEDRM COc1cc(/C=C2/Cc3c(cccc3C)C2=O)ccc1OCC(=O)[O-] ZINC000729151073 574818723 /nfs/dbraw/zinc/81/87/23/574818723.db2.gz ONAWMAFCWIGXAQ-ZSOIEALJSA-N -1 0 338.359 3.289 20 30 EGEDRM O=C([O-])c1cc(C(=O)/C=C\c2ccc(-n3cncn3)c(F)c2)cs1 ZINC000730150361 574925825 /nfs/dbraw/zinc/92/58/25/574925825.db2.gz SIAWIRHATBOYEX-RQOWECAXSA-N -1 0 343.339 3.062 20 30 EGEDRM N#Cc1cccc(NN=Cc2ccc(OC(F)(F)C(=O)[O-])cc2)c1 ZINC000730728059 575013395 /nfs/dbraw/zinc/01/33/95/575013395.db2.gz INTBZMUQSIAFGO-UHFFFAOYSA-N -1 0 331.278 3.060 20 30 EGEDRM O=C([O-])C(F)(F)Oc1ccc(CN=Nc2ncccc2Cl)cc1 ZINC000730728364 575013398 /nfs/dbraw/zinc/01/33/98/575013398.db2.gz SQTBSIANPWEGRH-UHFFFAOYSA-N -1 0 341.701 3.237 20 30 EGEDRM C=C1CCN(C(=O)c2cc3ccccc3cc2[N-]S(C)(=O)=O)CC1 ZINC000731197245 575059248 /nfs/dbraw/zinc/05/92/48/575059248.db2.gz PZQCTTMVXMJISO-UHFFFAOYSA-N -1 0 344.436 3.004 20 30 EGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)c1ccn(C(C)C)n1 ZINC000733680526 575380031 /nfs/dbraw/zinc/38/00/31/575380031.db2.gz WEHAUZCREPELSG-AWEZNQCLSA-N -1 0 334.379 3.459 20 30 EGEDRM Cc1nn(C)c(C)c1C(=NNc1ccccc1C(=O)[O-])C(F)(F)F ZINC000733906805 575408902 /nfs/dbraw/zinc/40/89/02/575408902.db2.gz HNYIQXKPJXTNLX-UHFFFAOYSA-N -1 0 340.305 3.114 20 30 EGEDRM C=CCCCCCN(C)S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000736097542 575899177 /nfs/dbraw/zinc/89/91/77/575899177.db2.gz MYWLFYIXAIFEFB-UHFFFAOYSA-N -1 0 325.430 3.060 20 30 EGEDRM C=CC[C@H](NC(=O)N1Cc2ccc(C(=O)[O-])cc2C1)c1ccncc1 ZINC000736096944 575899191 /nfs/dbraw/zinc/89/91/91/575899191.db2.gz UDUPHKQZBFAALK-KRWDZBQOSA-N -1 0 337.379 3.122 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@@H](C)c1ccco1 ZINC000736114187 575900683 /nfs/dbraw/zinc/90/06/83/575900683.db2.gz JGXZCWRXQLPQMC-NSHDSACASA-N -1 0 330.336 3.424 20 30 EGEDRM C=CCn1c(S[C@H](CCCC)C(=O)[O-])nc2sccc2c1=O ZINC000736117922 575901332 /nfs/dbraw/zinc/90/13/32/575901332.db2.gz OKZZCAPLLSTGHA-LLVKDONJSA-N -1 0 338.454 3.380 20 30 EGEDRM CC(C)(C)n1cc(C#N)cc1NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000736306357 575929597 /nfs/dbraw/zinc/92/95/97/575929597.db2.gz QEQQZCPUAVZUQF-UHFFFAOYSA-N -1 0 339.395 3.384 20 30 EGEDRM C[C@H](NC(=O)Nc1ccc(C(=O)[O-])cc1F)c1ccc(C#N)cc1 ZINC000736649887 575996467 /nfs/dbraw/zinc/99/64/67/575996467.db2.gz XLRJHTSIALHZOT-JTQLQIEISA-N -1 0 327.315 3.278 20 30 EGEDRM CN(C(=O)[O-])c1ccc(NC(=O)CSc2ccc(C#N)cc2)cc1 ZINC000737333736 576208939 /nfs/dbraw/zinc/20/89/39/576208939.db2.gz ZAGKWNBCJCVBQY-UHFFFAOYSA-N -1 0 341.392 3.403 20 30 EGEDRM CC(C)Oc1ccc(NC(=S)NN=C2CCC(C(=O)[O-])CC2)cc1 ZINC000737643484 576259438 /nfs/dbraw/zinc/25/94/38/576259438.db2.gz IJZRAHLYQCNFKY-UHFFFAOYSA-N -1 0 349.456 3.391 20 30 EGEDRM Cc1c(NC(=O)NCc2ccc(C#N)cc2F)cccc1C(=O)[O-] ZINC000738306610 576312481 /nfs/dbraw/zinc/31/24/81/576312481.db2.gz XLNKYBXRCKHVPA-UHFFFAOYSA-N -1 0 327.315 3.026 20 30 EGEDRM Cc1cc(F)cc2c1ncc(C#N)c2NCc1ccc(C(=O)[O-])cc1 ZINC000738397602 576321393 /nfs/dbraw/zinc/32/13/93/576321393.db2.gz UKJOTRXLLUGDJO-UHFFFAOYSA-N -1 0 335.338 3.286 20 30 EGEDRM N#Cc1cccc(COc2ccc(NC(=O)CCC(=O)[O-])cc2F)c1 ZINC000738434192 576325732 /nfs/dbraw/zinc/32/57/32/576325732.db2.gz WMWQUYUZWVYZML-UHFFFAOYSA-N -1 0 342.326 3.080 20 30 EGEDRM Cn1ccc2c1cccc2C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000739038236 576375411 /nfs/dbraw/zinc/37/54/11/576375411.db2.gz ATSUMWWXGVYQQG-KRWDZBQOSA-N -1 0 334.331 3.033 20 30 EGEDRM N#CCOc1ccc(CNC(=O)Nc2cccc(NC(=O)[O-])c2)cc1 ZINC000739088067 576377334 /nfs/dbraw/zinc/37/73/34/576377334.db2.gz OXCQJZQXWPEMGW-UHFFFAOYSA-N -1 0 340.339 3.001 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)c2cc3cc(F)ccc3[nH]2)C(=O)[O-])cc1 ZINC000739115670 576378739 /nfs/dbraw/zinc/37/87/39/576378739.db2.gz UXHTXDHTCLVDFH-INIZCTEOSA-N -1 0 338.294 3.161 20 30 EGEDRM N#Cc1ccc(CNC(=O)Nc2cccc(NC(=O)[O-])c2)c(F)c1 ZINC000739117534 576378917 /nfs/dbraw/zinc/37/89/17/576378917.db2.gz GIBXDROVIXKGGX-UHFFFAOYSA-N -1 0 328.303 3.109 20 30 EGEDRM N#Cc1ccc([C@H](Sc2ncn(-c3ccccc3)n2)C(=O)[O-])cc1 ZINC000739118324 576379004 /nfs/dbraw/zinc/37/90/04/576379004.db2.gz QLOQUJXKCGUTHO-HNNXBMFYSA-N -1 0 336.376 3.057 20 30 EGEDRM N#Cc1ccc(CN(C(=O)CCc2ccc(C(=O)[O-])cc2)C2CC2)cc1 ZINC000739117338 576379005 /nfs/dbraw/zinc/37/90/05/576379005.db2.gz LHSJQZPBNUZQME-UHFFFAOYSA-N -1 0 348.402 3.380 20 30 EGEDRM N#Cc1ccc(SCC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)cc1 ZINC000739131601 576379339 /nfs/dbraw/zinc/37/93/39/576379339.db2.gz ANTKBEXPAKERPX-UHFFFAOYSA-N -1 0 348.330 3.265 20 30 EGEDRM N#Cc1cccc(OCCCCC(=O)Oc2ccc(C(=O)[O-])cc2)c1 ZINC000739140390 576379477 /nfs/dbraw/zinc/37/94/77/576379477.db2.gz SREJCXYCRXNCIU-UHFFFAOYSA-N -1 0 339.347 3.411 20 30 EGEDRM O=[N+]([O-])c1ccc(C=NNc2cccc(C(F)(F)F)n2)cc1[O-] ZINC000739421185 576409905 /nfs/dbraw/zinc/40/99/05/576409905.db2.gz FZXWAKCZFGULIH-UHFFFAOYSA-N -1 0 326.234 3.160 20 30 EGEDRM O=C([O-])COc1cccc(CN=Cc2cc3ccccc3[nH]c2=O)c1 ZINC000739830976 576508467 /nfs/dbraw/zinc/50/84/67/576508467.db2.gz HEFXEOXBZKHSKA-JAIQZWGSSA-N -1 0 336.347 3.023 20 30 EGEDRM O=c1c2ccccc2[n-]c(=S)n1N=Cc1nccc2ccccc21 ZINC000740761162 576624163 /nfs/dbraw/zinc/62/41/63/576624163.db2.gz WOFQGBZIXOLUBV-UHFFFAOYSA-N -1 0 332.388 3.116 20 30 EGEDRM COc1ccc2c(c1)C(=O)/C(=C/c1cccc(OCC(=O)[O-])c1)CC2 ZINC000741848898 576727369 /nfs/dbraw/zinc/72/73/69/576727369.db2.gz QQTAWOJNGBJFII-OQLLNIDSSA-N -1 0 338.359 3.371 20 30 EGEDRM C[C@@H](Oc1cccc(/C=C\C(=O)c2ccc3c(c2)COC3)c1)C(=O)[O-] ZINC000742437761 576784312 /nfs/dbraw/zinc/78/43/12/576784312.db2.gz XEYJFJFHTCNSPH-DMTLFAOVSA-N -1 0 338.359 3.465 20 30 EGEDRM N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@@H](C(=O)[O-])C2)cc1 ZINC000819084357 596909332 /nfs/dbraw/zinc/90/93/32/596909332.db2.gz NKSSTYUMTHSINJ-AEFFLSMTSA-N -1 0 349.390 3.280 20 30 EGEDRM C=CCOc1ccccc1CNC(=O)Nc1ccccc1CC(=O)[O-] ZINC000817685870 597322284 /nfs/dbraw/zinc/32/22/84/597322284.db2.gz QXHIYOVYHANZJE-UHFFFAOYSA-N -1 0 340.379 3.200 20 30 EGEDRM N#CCC[C@@H](NC(=O)Nc1ccccc1CC(=O)[O-])c1ccccc1 ZINC000821320074 597355367 /nfs/dbraw/zinc/35/53/67/597355367.db2.gz IUQMDAQGHFYPFH-MRXNPFEDSA-N -1 0 337.379 3.480 20 30 EGEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H]1C(=O)[O-] ZINC000820071594 598206892 /nfs/dbraw/zinc/20/68/92/598206892.db2.gz BJTNBJRGQNBLDF-YPMHNXCESA-N -1 0 333.413 3.162 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1 ZINC000819873358 598221557 /nfs/dbraw/zinc/22/15/57/598221557.db2.gz APAAZFGQOOYCNF-LJQANCHMSA-N -1 0 334.331 3.135 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(-c2ccccc2)cc1F ZINC000819846388 598223785 /nfs/dbraw/zinc/22/37/85/598223785.db2.gz CDMHVWQYMQFUGP-SFHVURJKSA-N -1 0 326.327 3.436 20 30 EGEDRM C[C@H](OC(=O)[C@@](C)(C#N)CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000820161434 598228148 /nfs/dbraw/zinc/22/81/48/598228148.db2.gz PCWWDBSZCMROKS-LKFCYVNXSA-N -1 0 345.273 3.194 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NCCc1ccc(-c2ccccc2)cc1 ZINC000819842005 598230706 /nfs/dbraw/zinc/23/07/06/598230706.db2.gz HMWVIIJCAQRSFJ-FQEVSTJZSA-N -1 0 336.391 3.017 20 30 EGEDRM C=CCNC(=O)Nc1ccc(N[C@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000825687404 600735421 /nfs/dbraw/zinc/73/54/21/600735421.db2.gz JABRLOIRTBLGHY-INIZCTEOSA-N -1 0 343.358 3.371 20 30 EGEDRM CCOc1c(F)cccc1C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000830027244 600736053 /nfs/dbraw/zinc/73/60/53/600736053.db2.gz TVAARFXINMRBRI-OAHLLOKOSA-N -1 0 343.310 3.079 20 30 EGEDRM C#CCCCNC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000825605826 601011005 /nfs/dbraw/zinc/01/10/05/601011005.db2.gz RPOIOUVKZHLBKQ-UHFFFAOYSA-N -1 0 346.386 3.320 20 30 EGEDRM C[C@H](C(=O)[O-])[C@H](NC(=O)/C=C/c1ccccc1C#N)c1ccccc1 ZINC000826027526 601170075 /nfs/dbraw/zinc/17/00/75/601170075.db2.gz XHDABQJNCVJHBY-HBBBSCFVSA-N -1 0 334.375 3.150 20 30 EGEDRM CC(=O)Nc1ccc(N[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1Cl ZINC000825903142 601299383 /nfs/dbraw/zinc/29/93/83/601299383.db2.gz WFHRLFZVIFKUBE-MRXNPFEDSA-N -1 0 343.770 3.408 20 30 EGEDRM CN(Cc1ccc(Br)o1)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830811191 601311347 /nfs/dbraw/zinc/31/13/47/601311347.db2.gz ROODUGDLICTRAJ-AWEZNQCLSA-N -1 0 349.184 3.171 20 30 EGEDRM Cc1ccc(C)c(N=C2NC(=O)/C(=C/c3ccc(C(=O)[O-])[nH]3)S2)c1 ZINC000832926179 601330840 /nfs/dbraw/zinc/33/08/40/601330840.db2.gz HWMKHSBNUQXWSL-ZSOIEALJSA-N -1 0 341.392 3.221 20 30 EGEDRM N#Cc1cccc([C@@H](OC(=O)c2cc3c(cccc3F)[nH]2)C(=O)[O-])c1 ZINC000833077277 601348747 /nfs/dbraw/zinc/34/87/47/601348747.db2.gz OHFBJPVVZJHINN-MRXNPFEDSA-N -1 0 338.294 3.161 20 30 EGEDRM Cc1nc(C(C)C)sc1C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832993850 601349534 /nfs/dbraw/zinc/34/95/34/601349534.db2.gz HKSVTRSJQLLUNW-CYBMUJFWSA-N -1 0 344.392 3.429 20 30 EGEDRM COc1ccc([C@H](C)C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000832216870 601352925 /nfs/dbraw/zinc/35/29/25/601352925.db2.gz ULYYPYVUTRPHFU-SJCJKPOMSA-N -1 0 339.347 3.039 20 30 EGEDRM C[C@@H](C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1cccc(F)c1 ZINC000826061326 601354523 /nfs/dbraw/zinc/35/45/23/601354523.db2.gz KVUPTBORBJKRIX-BDJLRTHQSA-N -1 0 327.311 3.170 20 30 EGEDRM N#Cc1cccc([C@H](OC(=O)[C@@H]2C[C@H]2C2CCCCC2)C(=O)[O-])c1 ZINC000833075576 601355076 /nfs/dbraw/zinc/35/50/76/601355076.db2.gz MIOVUQPQLATBHI-BBWFWOEESA-N -1 0 327.380 3.444 20 30 EGEDRM CCCn1nc(C)c(/C=C\C(=O)c2ccc(OCC(=O)[O-])cc2)c1C ZINC000829591155 601851254 /nfs/dbraw/zinc/85/12/54/601851254.db2.gz OTKHZEIAFRWQII-KTKRTIGZSA-N -1 0 342.395 3.269 20 30 EGEDRM N#CCc1cccc(C(=O)Oc2ccc(SCC(=O)[O-])cc2)c1 ZINC000833068927 601877043 /nfs/dbraw/zinc/87/70/43/601877043.db2.gz HPWFGGIBQPLRRA-UHFFFAOYSA-N -1 0 327.361 3.149 20 30 EGEDRM CC(C)[C@H](C#N)NC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000826669910 602006463 /nfs/dbraw/zinc/00/64/63/602006463.db2.gz WXCCHVZMJAFPSM-NSHDSACASA-N -1 0 329.278 3.073 20 30 EGEDRM C=C(C)COCCNC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000825647319 602048669 /nfs/dbraw/zinc/04/86/69/602048669.db2.gz JERDZFNAQNUFIW-UHFFFAOYSA-N -1 0 346.305 3.118 20 30 EGEDRM Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](C)CC(=O)[O-] ZINC000832901236 602093838 /nfs/dbraw/zinc/09/38/38/602093838.db2.gz MGELIKVYEGIJDF-LBPRGKRZSA-N -1 0 339.351 3.103 20 30 EGEDRM COc1ccc2c(c1)O/C(=C/c1ccc(O[C@@H](C)C(=O)[O-])cc1)C2=O ZINC000794698783 602111697 /nfs/dbraw/zinc/11/16/97/602111697.db2.gz BXUSTINIEFKOHX-DTQASYIRSA-N -1 0 340.331 3.163 20 30 EGEDRM COc1ccc(O)c(C(=O)/C=C\c2ccc(O[C@@H](C)C(=O)[O-])cc2)c1 ZINC000794701680 602112224 /nfs/dbraw/zinc/11/22/24/602112224.db2.gz NJZPUYTXIKDQHK-LRAPTIAOSA-N -1 0 342.347 3.149 20 30 EGEDRM CCc1nnc(Nc2ccc(CN(C)C(=O)[O-])cc2)c(C#N)c1CC ZINC000830335663 602126062 /nfs/dbraw/zinc/12/60/62/602126062.db2.gz USLXHOPFXXVOQY-UHFFFAOYSA-N -1 0 339.399 3.326 20 30 EGEDRM C#CCCCCNC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000825605626 602225289 /nfs/dbraw/zinc/22/52/89/602225289.db2.gz KKAFADUTOFZIER-UHFFFAOYSA-N -1 0 340.379 3.228 20 30 EGEDRM C=CCn1c(SCc2cc(C(=O)[O-])co2)nnc1-c1ccccn1 ZINC000825710971 602242666 /nfs/dbraw/zinc/24/26/66/602242666.db2.gz JKIJAPCQFUCVNB-UHFFFAOYSA-N -1 0 342.380 3.110 20 30 EGEDRM CCC(=O)c1ccc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000828573793 602270669 /nfs/dbraw/zinc/27/06/69/602270669.db2.gz BOUKUVUJQQSXLL-KRWDZBQOSA-N -1 0 337.331 3.134 20 30 EGEDRM N#C[C@@H](NC(=O)c1cccc(NC(=O)[O-])c1)c1ccc(Cl)cc1 ZINC000739074893 602684098 /nfs/dbraw/zinc/68/40/98/602684098.db2.gz MXABIYAOIYCERD-CQSZACIVSA-N -1 0 329.743 3.425 20 30 EGEDRM N#Cc1ccc([C@@H](C(=O)[O-])N2CCc3c(F)cc(F)cc3C2)cc1 ZINC000833072727 604510589 /nfs/dbraw/zinc/51/05/89/604510589.db2.gz YCUATRDMBKJTKW-KRWDZBQOSA-N -1 0 328.318 3.020 20 30 EGEDRM C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1Cc1cccc(C(=O)[O-])c1C#N ZINC000833632583 604538074 /nfs/dbraw/zinc/53/80/74/604538074.db2.gz MPRDYYZXEYZZDX-LLVKDONJSA-N -1 0 337.335 3.116 20 30 EGEDRM CC(C)NC(=O)c1ccccc1NCc1cccc(C(=O)[O-])c1C#N ZINC000833502767 604538087 /nfs/dbraw/zinc/53/80/87/604538087.db2.gz UXVKVLIMFTWUQA-UHFFFAOYSA-N -1 0 337.379 3.007 20 30 EGEDRM O=C([O-])C[C@H]1CCCN1C(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC000833211998 604594429 /nfs/dbraw/zinc/59/44/29/604594429.db2.gz SJQCMZIJHFMFCE-LJQANCHMSA-N -1 0 333.387 3.166 20 30 EGEDRM COc1cc(/C=C\C(=O)c2ccc(C(=O)[O-])cc2)ccc1OCC#N ZINC000831977569 604626987 /nfs/dbraw/zinc/62/69/87/604626987.db2.gz SQDKCOQJGFUAQV-WAPJZHGLSA-N -1 0 337.331 3.192 20 30 EGEDRM CC(N=Nc1ccc(C(=O)[O-])cn1)c1ccc(Br)cc1 ZINC000763367409 604665766 /nfs/dbraw/zinc/66/57/66/604665766.db2.gz CYMIDBKOOSLPPA-UHFFFAOYSA-N -1 0 334.173 3.378 20 30 EGEDRM Cc1nc(-c2ccccc2)[nH]c1C(C)N=Nc1ccc(C(=O)[O-])cn1 ZINC000763370533 604666653 /nfs/dbraw/zinc/66/66/53/604666653.db2.gz QTVFGMOVMOXITJ-UHFFFAOYSA-N -1 0 335.367 3.314 20 30 EGEDRM N#Cc1ccc([C@H](C(=O)[O-])N2CCc3ccc(F)c(F)c3C2)cc1 ZINC000833072279 604679479 /nfs/dbraw/zinc/67/94/79/604679479.db2.gz QTORPCBBVSMKLZ-QGZVFWFLSA-N -1 0 328.318 3.020 20 30 EGEDRM CC(C)(C#N)c1ccccc1COC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000826080815 604691115 /nfs/dbraw/zinc/69/11/15/604691115.db2.gz GGYZGNUUEIEIEO-KBPBESRZSA-N -1 0 329.396 3.422 20 30 EGEDRM C=C[C@H](CC(=O)N(CCC(=O)[O-])Cc1ccncc1)c1ccccc1 ZINC000833372029 604778303 /nfs/dbraw/zinc/77/83/03/604778303.db2.gz ZQWQXWDMBVPCCI-QGZVFWFLSA-N -1 0 338.407 3.245 20 30 EGEDRM C=CCNc1nnc(Sc2nc(Cl)c(C(=O)[O-])s2)s1 ZINC000833376018 604821396 /nfs/dbraw/zinc/82/13/96/604821396.db2.gz QTSIGWDFJUOWTO-UHFFFAOYSA-N -1 0 334.835 3.095 20 30 EGEDRM C=CCN(CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-])C1CC1 ZINC000833375202 604971982 /nfs/dbraw/zinc/97/19/82/604971982.db2.gz IWFUVNSZJKLHMW-UHFFFAOYSA-N -1 0 343.210 3.281 20 30 EGEDRM C#C[C@H](Cc1ccccc1)OC(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC000833360498 605020610 /nfs/dbraw/zinc/02/06/10/605020610.db2.gz KKAHIOLYJBHBJY-MRXNPFEDSA-N -1 0 347.370 3.127 20 30 EGEDRM C[C@@H](C(=O)[O-])n1cccc1CN=Nc1ccc([N+](=O)[O-])cc1Cl ZINC000833406022 605039765 /nfs/dbraw/zinc/03/97/65/605039765.db2.gz KCARNKCGJDMAOE-VIFPVBQESA-N -1 0 336.735 3.141 20 30 EGEDRM C#CCOc1ccc([C@@H](C)OC(=O)C2CCC(C(=O)[O-])CC2)cc1 ZINC000833367373 605116939 /nfs/dbraw/zinc/11/69/39/605116939.db2.gz VZAJPCKIJSJAPC-IUDNXUCKSA-N -1 0 330.380 3.194 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@H]1CCC(=O)[C@H](C)C1 ZINC000833379659 605146990 /nfs/dbraw/zinc/14/69/90/605146990.db2.gz JOFYKAJWEXOESM-YPMHNXCESA-N -1 0 346.379 3.033 20 30 EGEDRM CC(N=Nc1ccc(C(=O)[O-])cn1)c1ccc([N+](=O)[O-])cc1Cl ZINC000782226986 605153593 /nfs/dbraw/zinc/15/35/93/605153593.db2.gz DBBGCYAMYHFRFP-UHFFFAOYSA-N -1 0 334.719 3.178 20 30 EGEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC000833374582 605173856 /nfs/dbraw/zinc/17/38/56/605173856.db2.gz RRWZTCJDRYBPHD-UHFFFAOYSA-N -1 0 341.367 3.009 20 30 EGEDRM COc1ccc(C(=O)/C=C\c2cc(OC)c([O-])c([N+](=O)[O-])c2)cc1 ZINC000033679896 1291387071 /nfs/dbraw/zinc/38/70/71/1291387071.db2.gz LTQZENFKBZSLGY-BAQGIRSFSA-N -1 0 329.308 3.214 20 30 EGEDRM Cc1cc(Cl)ccc1OCC(=O)[N-]S(=O)(=O)c1cccs1 ZINC000042244206 1291437117 /nfs/dbraw/zinc/43/71/17/1291437117.db2.gz RGORQLPETQLSQS-UHFFFAOYSA-N -1 0 345.829 3.434 20 30 EGEDRM O=C([N-]S(=O)(=O)c1cccnc1)c1ccc(-c2ccccc2F)o1 ZINC000042321695 1291440202 /nfs/dbraw/zinc/44/02/02/1291440202.db2.gz GQOOFTLBQILQTJ-UHFFFAOYSA-N -1 0 346.339 3.174 20 30 EGEDRM Cc1cc(C(=O)[N-]S(=O)(=O)Cc2ccc(F)cc2)sc1C ZINC000045100330 1291505045 /nfs/dbraw/zinc/50/50/45/1291505045.db2.gz MJBSBQUCOLBLLI-UHFFFAOYSA-N -1 0 327.402 3.339 20 30 EGEDRM Cc1c(C(=O)[N-]S(=O)(=O)c2ccccc2C)oc2c1C(=O)CCC2 ZINC000048426838 1291604138 /nfs/dbraw/zinc/60/41/38/1291604138.db2.gz MQLWAFIGKMZAAM-UHFFFAOYSA-N -1 0 347.392 3.109 20 30 EGEDRM CCOc1ccc(S(=O)(=O)[N-]C(=O)c2cc(F)ccc2F)cc1 ZINC000048452082 1291605633 /nfs/dbraw/zinc/60/56/33/1291605633.db2.gz RMKHKINFDNQQRU-UHFFFAOYSA-N -1 0 341.335 3.057 20 30 EGEDRM CC1=NN(c2ccc(C(=O)[N-]S(=O)(=O)c3cccs3)cc2)CC1 ZINC000048450090 1291605927 /nfs/dbraw/zinc/60/59/27/1291605927.db2.gz DBZLMMPXCVLPLM-UHFFFAOYSA-N -1 0 349.437 3.028 20 30 EGEDRM CC[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1)c1ccccc1 ZINC000048496903 1291607887 /nfs/dbraw/zinc/60/78/87/1291607887.db2.gz AGBAAMONEJEIKS-MRXNPFEDSA-N -1 0 328.393 3.397 20 30 EGEDRM N#Cc1cccc(S(=O)(=O)[N-]C(=O)Cc2ccccc2Cl)c1 ZINC000048598235 1291612375 /nfs/dbraw/zinc/61/23/75/1291612375.db2.gz DCGLGVLUBAEOOT-UHFFFAOYSA-N -1 0 334.784 3.100 20 30 EGEDRM Cc1nc(C)c(C(=O)[N-]S(=O)(=O)C2=Cc3ccccc3CC2)s1 ZINC000058036960 1291875106 /nfs/dbraw/zinc/87/51/06/1291875106.db2.gz PIGHRZPQXLWXLG-UHFFFAOYSA-N -1 0 348.449 3.382 20 30 EGEDRM N#CC(=C([O-])c1ccc(N2CCOC2=O)cc1)c1nc2ccccc2o1 ZINC000066516654 1292119696 /nfs/dbraw/zinc/11/96/96/1292119696.db2.gz JYBRATPYVDJLCZ-AWEZNQCLSA-N -1 0 347.330 3.274 20 30 EGEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N/C[C@@H](O)c2cccc(F)c2)c1[O-] ZINC000068722835 1292213195 /nfs/dbraw/zinc/21/31/95/1292213195.db2.gz BZSCLIZVDMJCJD-LLVIWDJBSA-N -1 0 338.722 3.245 20 30 EGEDRM C=CCn1c(=O)c2ccc(C(=O)NC(CC)CC)cc2[n-]c1=S ZINC000069525009 1292244082 /nfs/dbraw/zinc/24/40/82/1292244082.db2.gz DTANLGJQYVBZOF-UHFFFAOYSA-N -1 0 331.441 3.163 20 30 EGEDRM COc1ccc(F)cc1C(=O)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000069525812 1292244814 /nfs/dbraw/zinc/24/48/14/1292244814.db2.gz NQFXNMSIZJCHKF-UHFFFAOYSA-N -1 0 349.792 3.243 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCOc3ccccc32)cc1 ZINC000077558616 1292471910 /nfs/dbraw/zinc/47/19/10/1292471910.db2.gz NSCLMUUXNLMVTH-OAHLLOKOSA-N -1 0 331.393 3.207 20 30 EGEDRM O=C([N-]S(=O)(=O)C=Cc1ccccc1)C1=Cc2ccccc2OC1 ZINC000078776106 1292525213 /nfs/dbraw/zinc/52/52/13/1292525213.db2.gz YWUUAGFHRHKOTR-ZHACJKMWSA-N -1 0 341.388 3.420 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@@H]2CCC(C)=C(C)C2)n1 ZINC000829799977 1292624209 /nfs/dbraw/zinc/62/42/09/1292624209.db2.gz SLPBHPQMFFSCGX-ZIAGYGMSSA-N -1 0 332.425 3.308 20 30 EGEDRM COc1cc(OC)c(OC)cc1/C=C/C(=O)c1ccc(O)cc1[O-] ZINC000082156579 1292677505 /nfs/dbraw/zinc/67/75/05/1292677505.db2.gz AZNIBGZCLFHAFA-QPJJXVBHSA-N -1 0 330.336 3.020 20 30 EGEDRM O=C([N-]S(=O)(=O)C1CCCC1)c1sccc1Br ZINC000086054969 1292727278 /nfs/dbraw/zinc/72/72/78/1292727278.db2.gz REQDWHDGFNYZOJ-UHFFFAOYSA-N -1 0 338.248 3.088 20 30 EGEDRM O=C([N-]S(=O)(=O)C1CCCC1)c1csc(-c2cccs2)n1 ZINC000086054984 1292727866 /nfs/dbraw/zinc/72/78/66/1292727866.db2.gz QXLYJKSJBWUHJP-UHFFFAOYSA-N -1 0 342.467 3.449 20 30 EGEDRM O=C(CCCOc1ccc(F)cc1F)[N-]S(=O)(=O)C1CCCC1 ZINC000086055511 1292728449 /nfs/dbraw/zinc/72/84/49/1292728449.db2.gz KDLPNQFYEWOHOG-UHFFFAOYSA-N -1 0 347.383 3.353 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)CCSc2ccccn2)cc1 ZINC000088799559 1292756797 /nfs/dbraw/zinc/75/67/97/1292756797.db2.gz SKWHVHJKYOAPBN-UHFFFAOYSA-N -1 0 336.438 3.218 20 30 EGEDRM O=C(/C=C/c1ccn(-c2ccccc2)n1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000090988599 1292807363 /nfs/dbraw/zinc/80/73/63/1292807363.db2.gz FRCDJVRDQRGOMG-VQHVLOKHSA-N -1 0 335.319 3.382 20 30 EGEDRM C[C@H](CC(=O)[N-]S(=O)(=O)N1CCCC1)Cc1ccc(Cl)cc1 ZINC000091441841 1292835123 /nfs/dbraw/zinc/83/51/23/1292835123.db2.gz RHHGYVOYALAUOT-LBPRGKRZSA-N -1 0 344.864 3.206 20 30 EGEDRM O=C([N-]S(=O)(=O)c1ccccc1F)C1(Cc2ccccc2)CC1 ZINC000092693759 1292883665 /nfs/dbraw/zinc/88/36/65/1292883665.db2.gz MRGMJDNIWQJKNU-UHFFFAOYSA-N -1 0 333.384 3.494 20 30 EGEDRM CCCC(=CC(=O)[N-]S(=O)(=O)c1c(C)nn(C)c1C)CCC ZINC000092693474 1292884323 /nfs/dbraw/zinc/88/43/23/1292884323.db2.gz FTNGMERWDHOHCT-UHFFFAOYSA-N -1 0 327.450 3.209 20 30 EGEDRM C=CCC1(C(=O)[N-]S(=O)(=O)c2cnc3ccccc3c2)CCCC1 ZINC000835345373 1293269427 /nfs/dbraw/zinc/26/94/27/1293269427.db2.gz FJURILHEJZHPOP-UHFFFAOYSA-N -1 0 344.436 3.176 20 30 EGEDRM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])c1cccc2c1OCO2 ZINC000120983550 1293349913 /nfs/dbraw/zinc/34/99/13/1293349913.db2.gz YJBNNQBWTAUPGP-AWEZNQCLSA-N -1 0 346.342 3.410 20 30 EGEDRM Cc1ccc(-c2cncc(C([O-])=C(C#N)C(=O)N3CCCC3)c2)cc1 ZINC000124488780 1293476868 /nfs/dbraw/zinc/47/68/68/1293476868.db2.gz SVINAPFELDIYCY-SFHVURJKSA-N -1 0 333.391 3.002 20 30 EGEDRM CCC(CC)C(=O)N1CCC(/N=C/c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000126901139 1293546937 /nfs/dbraw/zinc/54/69/37/1293546937.db2.gz CYJVEHOWUZZMMU-XDHOZWIPSA-N -1 0 347.415 3.147 20 30 EGEDRM Cc1c(C(=O)/C=C/c2ccc([O-])c([N+](=O)[O-])c2)cccc1[N+](=O)[O-] ZINC000130126652 1293645274 /nfs/dbraw/zinc/64/52/74/1293645274.db2.gz QNKRSXZUKOBLGP-FNORWQNLSA-N -1 0 328.280 3.413 20 30 EGEDRM N#C[C@H]([N-]C(=O)C(F)(F)C1(O)CCC1)c1ccc(Cl)c(Cl)c1 ZINC000131023349 1293677078 /nfs/dbraw/zinc/67/70/78/1293677078.db2.gz OLBZDDJKZCEVPY-NSHDSACASA-N -1 0 349.164 3.225 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2ccc(F)cc2C(F)(F)F)C(=O)O1 ZINC000151377338 1293921685 /nfs/dbraw/zinc/92/16/85/1293921685.db2.gz ZADYUCHSUFQEIE-LYKUJDHUSA-N -1 0 342.244 3.073 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)C(=O)NCc2ccccc2)ccc1Cl ZINC000151587432 1293931122 /nfs/dbraw/zinc/93/11/22/1293931122.db2.gz NWKJZXIKFAWQAR-HNNXBMFYSA-N -1 0 326.783 3.287 20 30 EGEDRM CC(C)(C)Oc1cccc(CCC(=O)Nc2cc(C#N)ccc2[O-])n1 ZINC000163063576 1294327573 /nfs/dbraw/zinc/32/75/73/1294327573.db2.gz RWHHDWBEUQNVGU-UHFFFAOYSA-N -1 0 339.395 3.407 20 30 EGEDRM N#Cc1ccc(O)c([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)c1 ZINC000175686857 1294569282 /nfs/dbraw/zinc/56/92/82/1294569282.db2.gz ZKAVJGTVCQLTDV-UHFFFAOYSA-N -1 0 343.191 3.371 20 30 EGEDRM O=C([N-]Cc1cccc(OCC(F)(F)F)c1)C(F)(F)C(F)F ZINC000175998710 1294583998 /nfs/dbraw/zinc/58/39/98/1294583998.db2.gz BBDGFTICZLCWOQ-UHFFFAOYSA-N -1 0 333.203 3.144 20 30 EGEDRM C=CCCCC(=O)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000176520290 1294612147 /nfs/dbraw/zinc/61/21/47/1294612147.db2.gz FEAHAKGXQDJUIL-UHFFFAOYSA-N -1 0 328.242 3.216 20 30 EGEDRM C=CCC[C@H](C)OC(=O)c1ccc2c(c1)[n-]c(=S)n(CC)c2=O ZINC000180162713 1294864056 /nfs/dbraw/zinc/86/40/56/1294864056.db2.gz ZICFGWNBZBSQNM-NSHDSACASA-N -1 0 332.425 3.217 20 30 EGEDRM O=C1c2c(F)ccc(F)c2OC/C1=C/c1ccc([O-])c([N+](=O)[O-])c1 ZINC000181474948 1294974675 /nfs/dbraw/zinc/97/46/75/1294974675.db2.gz HUORZLSAXMTBIM-UITAMQMPSA-N -1 0 333.246 3.237 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccnc(Cl)c2)c(Cl)c1 ZINC000186647406 1295339227 /nfs/dbraw/zinc/33/92/27/1295339227.db2.gz NJIZYIIYIXFBEY-UHFFFAOYSA-N -1 0 328.180 3.061 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)C[C@H](C)c1ccccc1C(F)(F)F ZINC000191267688 1295664188 /nfs/dbraw/zinc/66/41/88/1295664188.db2.gz DUXJESXFQFSOIZ-NSHDSACASA-N -1 0 329.318 3.298 20 30 EGEDRM Cc1nc(-c2ccc(C([O-])=C(C#N)C(=O)NC(C)C)s2)cs1 ZINC000870142382 1295700770 /nfs/dbraw/zinc/70/07/70/1295700770.db2.gz IKKKGBRJFDGRNL-JTQLQIEISA-N -1 0 333.438 3.027 20 30 EGEDRM CC(C)OCCCNC(=O)C(C#N)=C([O-])c1csc2ccccc12 ZINC000193363199 1295855972 /nfs/dbraw/zinc/85/59/72/1295855972.db2.gz GFEMKOCUSFCAEK-AWEZNQCLSA-N -1 0 344.436 3.155 20 30 EGEDRM CC1(C)CN(CC/N=C/c2cc(Cl)cc(Cl)c2[O-])CCO1 ZINC000195176912 1296044273 /nfs/dbraw/zinc/04/42/73/1296044273.db2.gz JRLOOMCSCGXKAU-GIJQJNRQSA-N -1 0 331.243 3.229 20 30 EGEDRM O=C([O-])CCOc1ccc(/C=C\C(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000207807814 1296097080 /nfs/dbraw/zinc/09/70/80/1296097080.db2.gz CILBAVHTCHZJAD-KMKOMSMNSA-N -1 0 341.319 3.344 20 30 EGEDRM C=CCC[C@H](NC(=O)[C@H](F)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000263524229 1296687967 /nfs/dbraw/zinc/68/79/67/1296687967.db2.gz IWTZLWGMIGUAMC-NWDGAFQWSA-N -1 0 333.281 3.252 20 30 EGEDRM CC(C)(C)OC(=O)N=c1[nH]c(C=NO[C@@H]2CCCCO2)cs1 ZINC000872360138 1296924303 /nfs/dbraw/zinc/92/43/03/1296924303.db2.gz BQHWIODLRDOKDD-LLVKDONJSA-N -1 0 327.406 3.367 20 30 EGEDRM C=CCC[C@H](NC(=O)c1ccccc1SC(F)(F)F)C(=O)[O-] ZINC000316335052 1297142901 /nfs/dbraw/zinc/14/29/01/1297142901.db2.gz LYRYYDFOWUVWOL-JTQLQIEISA-N -1 0 333.331 3.448 20 30 EGEDRM CC(C)(C)c1csc([N-]S(=O)(=O)c2ccc(CC#N)cc2)n1 ZINC000317665412 1297146132 /nfs/dbraw/zinc/14/61/32/1297146132.db2.gz DVWBWDHWTVVCDZ-UHFFFAOYSA-N -1 0 335.454 3.307 20 30 EGEDRM COc1cc(/C=C\C(=O)c2ccccc2)ccc1OCCC(=O)[O-] ZINC000588460283 1298067408 /nfs/dbraw/zinc/06/74/08/1298067408.db2.gz SAUSNQHGQHSSFW-CLFYSBASSA-N -1 0 326.348 3.445 20 30 EGEDRM CC(C)c1nc(C#N)c([N-]N=C2C(=O)Nc3c2c(Cl)ccc3F)o1 ZINC000745612102 1298430516 /nfs/dbraw/zinc/43/05/16/1298430516.db2.gz PCXPVZDEVBQAAI-UHFFFAOYSA-N -1 0 347.737 3.230 20 30 EGEDRM Cn1ncc2c1nc(N=NC1CCC[C@@H](C(C)(C)C)CC1)[n-]c2=O ZINC000746575449 1298616055 /nfs/dbraw/zinc/61/60/55/1298616055.db2.gz HIVGJJGYVLCPCZ-LLVKDONJSA-N -1 0 330.436 3.463 20 30 EGEDRM N#Cc1ccc(OCCCOC(=O)c2c(F)cc([O-])cc2F)cc1 ZINC000746983963 1298701409 /nfs/dbraw/zinc/70/14/09/1298701409.db2.gz CJQJEINZRITGGS-UHFFFAOYSA-N -1 0 333.290 3.168 20 30 EGEDRM N#Cc1c(COC(=O)c2c(F)cc([O-])cc2F)cn2ccccc12 ZINC000746987256 1298702954 /nfs/dbraw/zinc/70/29/54/1298702954.db2.gz UBOYABFLCMAVQQ-UHFFFAOYSA-N -1 0 328.274 3.152 20 30 EGEDRM CCc1nn(C)cc1/C=C/C(=O)c1cc(C(=O)[O-])ccc1OC(C)C ZINC000876498181 1298794876 /nfs/dbraw/zinc/79/48/76/1298794876.db2.gz QWFUPGRCLMYIQB-SOFGYWHQSA-N -1 0 342.395 3.364 20 30 EGEDRM COc1cc(/C=C2/Cc3ccc(F)cc3C2=O)ccc1OCC(=O)[O-] ZINC000749004042 1299123701 /nfs/dbraw/zinc/12/37/01/1299123701.db2.gz SGLFUURIAYIWLQ-MLPAPPSSSA-N -1 0 342.322 3.120 20 30 EGEDRM Cc1cc(=O)[n-]c(N=NC2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000753690854 1300006059 /nfs/dbraw/zinc/00/60/59/1300006059.db2.gz GUEJVGBSPSYBSU-LBPRGKRZSA-N -1 0 341.371 3.210 20 30 EGEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1ccc([C@@H](C)CC)cc1 ZINC000756222560 1300454411 /nfs/dbraw/zinc/45/44/11/1300454411.db2.gz DQQLHTICGDFFFW-YOEHRIQHSA-N -1 0 330.428 3.065 20 30 EGEDRM COc1ccc(C(=O)/C=C\c2cccc3c2OCCCO3)c([O-])c1 ZINC000757472765 1300675099 /nfs/dbraw/zinc/67/50/99/1300675099.db2.gz SGKJSVKKDIJLEK-TWGQIWQCSA-N -1 0 326.348 3.458 20 30 EGEDRM CC(=NNC1CCOCC1)c1ccc(-c2ccc(C(=O)[O-])o2)cc1 ZINC000757599011 1300691763 /nfs/dbraw/zinc/69/17/63/1300691763.db2.gz PDARNUZDXQDKMO-UHFFFAOYSA-N -1 0 328.368 3.137 20 30 EGEDRM CC(C)Cc1nc(C#N)c(N=NC(C)c2cc([N+](=O)[O-])ccc2[O-])o1 ZINC000758117663 1300789498 /nfs/dbraw/zinc/78/94/98/1300789498.db2.gz RYTNOSPJVAKHHN-UHFFFAOYSA-N -1 0 343.343 3.195 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])c(/C=N/CCCc2ccc3c(c2)OCCO3)c1 ZINC000758359239 1300861271 /nfs/dbraw/zinc/86/12/71/1300861271.db2.gz PECKMLNCUFDNDL-XDHOZWIPSA-N -1 0 342.351 3.123 20 30 EGEDRM N#CCc1ccccc1CC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000758476892 1300895306 /nfs/dbraw/zinc/89/53/06/1300895306.db2.gz RVSCPQDMFYTASU-UHFFFAOYSA-N -1 0 345.742 3.201 20 30 EGEDRM O=C(/C=C\c1cnn(Cc2ccccc2)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000759092323 1301013311 /nfs/dbraw/zinc/01/33/11/1301013311.db2.gz YNLXXTUENODPIP-VURMDHGXSA-N -1 0 349.346 3.441 20 30 EGEDRM COc1ccc(/C=C\C(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1[N+](=O)[O-] ZINC000759089053 1301013562 /nfs/dbraw/zinc/01/35/62/1301013562.db2.gz FEZRXJLYTVTLET-DJWKRKHSSA-N -1 0 344.279 3.113 20 30 EGEDRM CCCC(C)=CC(=O)C(C#N)=C([O-])c1c(C)[nH]c(C)c1C(=O)OCC ZINC000759240785 1301048162 /nfs/dbraw/zinc/04/81/62/1301048162.db2.gz UARDBXXSACLVRY-MARXPDLDSA-N -1 0 344.411 3.446 20 30 EGEDRM O=C1Nc2ccc(-c3ccccc3)cc2C1=N[N-]c1ncc(F)cn1 ZINC000760253204 1301240208 /nfs/dbraw/zinc/24/02/08/1301240208.db2.gz AKPVWIDXQMFVKV-UHFFFAOYSA-N -1 0 333.326 3.051 20 30 EGEDRM C#CCOc1ccc([N-]S(=O)(=O)c2cc(F)c(C)cc2F)cc1 ZINC000762607416 1301711581 /nfs/dbraw/zinc/71/15/81/1301711581.db2.gz DBPNDFAVFPQPLS-UHFFFAOYSA-N -1 0 337.347 3.086 20 30 EGEDRM COCCOc1ccc(C(=O)/C=C\c2cccc(C(=O)[O-])c2)cc1 ZINC000765822804 1302335421 /nfs/dbraw/zinc/33/54/21/1302335421.db2.gz BNNMHXBUCLNLIL-YHYXMXQVSA-N -1 0 326.348 3.306 20 30 EGEDRM CNc1c(C([O-])=C(C#N)c2nc3ccccc3n2C)cccc1[N+](=O)[O-] ZINC000765967440 1302357885 /nfs/dbraw/zinc/35/78/85/1302357885.db2.gz OZPBYBJDNPHTFN-LBPRGKRZSA-N -1 0 349.350 3.013 20 30 EGEDRM CCCCCCCS(=O)(=O)c1nc(-c2ccccc2F)n[n-]1 ZINC000774019905 1303764914 /nfs/dbraw/zinc/76/49/14/1303764914.db2.gz XUNZYVXIXYDOPJ-UHFFFAOYSA-N -1 0 325.409 3.355 20 30 EGEDRM Cc1nnc(N=NC2CCC[C@H]2c2ccc(OC(C)C)cc2)[n-]c1=O ZINC000776760995 1304194376 /nfs/dbraw/zinc/19/43/76/1304194376.db2.gz ZITXJHCSXJDAKM-HNNXBMFYSA-N -1 0 341.415 3.408 20 30 EGEDRM CC(=NNC(=S)Nc1ccccc1F)c1ccc(C(=O)[O-])c(F)c1 ZINC000776757958 1304195312 /nfs/dbraw/zinc/19/53/12/1304195312.db2.gz CKMWZJNOKCYUKT-UHFFFAOYSA-N -1 0 349.362 3.374 20 30 EGEDRM Cc1cc2ccccc2nc1NN=Cc1ccc(OCC(=O)[O-])cc1 ZINC000776785512 1304199066 /nfs/dbraw/zinc/19/90/66/1304199066.db2.gz HQANIAFOXPOZAO-UHFFFAOYSA-N -1 0 335.363 3.453 20 30 EGEDRM Cc1ccc(C(=O)/C=C/c2ccc(O)c(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000779357849 1304561025 /nfs/dbraw/zinc/56/10/25/1304561025.db2.gz KKYLTONXUUOIMX-ZZXKWVIFSA-N -1 0 327.292 3.203 20 30 EGEDRM C=C[C@@](C)(CCOC)C(=O)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000783679169 1305127803 /nfs/dbraw/zinc/12/78/03/1305127803.db2.gz CGAMPSUYCDWVFF-HNNXBMFYSA-N -1 0 331.334 3.482 20 30 EGEDRM O=C(C/N=C/c1cc([N+](=O)[O-])ccc1[O-])OCc1ccc(Cl)cc1 ZINC000783685396 1305128769 /nfs/dbraw/zinc/12/87/69/1305128769.db2.gz OFSUJVJHEYZGIM-QGMBQPNBSA-N -1 0 348.742 3.116 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2csc(N3CCCCC3)n2)n1 ZINC000892416848 1305361365 /nfs/dbraw/zinc/36/13/65/1305361365.db2.gz AHMDUWZOOYPCNS-LLVKDONJSA-N -1 0 332.454 3.388 20 30 EGEDRM CCn1c(C)cc(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)c1C ZINC000786540890 1305594142 /nfs/dbraw/zinc/59/41/42/1305594142.db2.gz NGFWFRBFCMLQBO-GOSISDBHSA-N -1 0 337.423 3.072 20 30 EGEDRM COc1csc(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)c1 ZINC000786546695 1305595609 /nfs/dbraw/zinc/59/56/09/1305595609.db2.gz KDDZMOHKXZYTFK-ZDUSSCGKSA-N -1 0 348.811 3.049 20 30 EGEDRM Cc1cc(C)cc(C([O-])=C(C#N)C(=O)NCc2ccc(F)cc2F)c1 ZINC000786564822 1305599545 /nfs/dbraw/zinc/59/95/45/1305599545.db2.gz UAXZDXXAJZNUPQ-MRXNPFEDSA-N -1 0 342.345 3.221 20 30 EGEDRM Cc1cc(F)cc(C([O-])=C(C#N)C(=O)NCc2ccc(F)c(F)c2)c1 ZINC000786566210 1305601079 /nfs/dbraw/zinc/60/10/79/1305601079.db2.gz XBWNBXKKCQJCGB-AWEZNQCLSA-N -1 0 346.308 3.051 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)C(=O)NCc2ccc(F)c(F)c2)sc1C ZINC000786573427 1305602641 /nfs/dbraw/zinc/60/26/41/1305602641.db2.gz ZEDUDVHRIHVHBS-GFCCVEGCSA-N -1 0 348.374 3.282 20 30 EGEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1ccnn1C(C)C)c1ccccc1 ZINC000787035427 1305679513 /nfs/dbraw/zinc/67/95/13/1305679513.db2.gz MROOKJJRJOEKLB-JKSUJKDBSA-N -1 0 338.411 3.054 20 30 EGEDRM CCc1cncc(C([O-])=C(C#N)C(=O)N[C@@H](CC)c2ccccc2)c1 ZINC000789491355 1306169665 /nfs/dbraw/zinc/16/96/65/1306169665.db2.gz JWJNTSWIDLUTOH-MSOLQXFVSA-N -1 0 335.407 3.234 20 30 EGEDRM Cc1nn(C)c(/C=C\C(=O)c2ccc(F)cc2[O-])c1Br ZINC000790599891 1306357889 /nfs/dbraw/zinc/35/78/89/1306357889.db2.gz FVFYLUJVHZYKCG-WAYWQWQTSA-N -1 0 339.164 3.232 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])c1 ZINC000790841375 1308873501 /nfs/dbraw/zinc/87/35/01/1308873501.db2.gz PNKWDBITFLUIKM-UHFFFAOYSA-N -1 0 349.705 3.146 20 30 EGEDRM CCCCCCCC(=O)[N-]S(=O)(=O)Cc1ccc(C)cc1F ZINC000792088703 1309119082 /nfs/dbraw/zinc/11/90/82/1309119082.db2.gz VAIXYVJHXYVWIS-UHFFFAOYSA-N -1 0 329.437 3.441 20 30 EGEDRM CC[C@H](NN=Cc1c(C)nn(-c2cc(C)ccc2C)c1Cl)C(=O)[O-] ZINC000793056348 1309288338 /nfs/dbraw/zinc/28/83/38/1309288338.db2.gz GEVCZZMJQWZSSP-AWEZNQCLSA-N -1 0 348.834 3.238 20 30 EGEDRM CCCCCC[C@](C)(CC)C(=O)[N-]S(=O)(=O)CC1(C#N)CC1 ZINC000793200641 1309315555 /nfs/dbraw/zinc/31/55/55/1309315555.db2.gz CXQJJASOOZVWGF-HNNXBMFYSA-N -1 0 328.478 3.123 20 30 EGEDRM CC(N=Nc1ccccc1C(=O)[O-])C1CN(C(=O)OC(C)(C)C)C1 ZINC000794482695 1309535815 /nfs/dbraw/zinc/53/58/15/1309535815.db2.gz KSYRNGWNNSBAPP-UHFFFAOYSA-N -1 0 333.388 3.040 20 30 EGEDRM COc1cc(OC)c(/C=C/C(=O)c2ccc([O-])c(F)c2)c(OC)c1 ZINC000794707843 1309579658 /nfs/dbraw/zinc/57/96/58/1309579658.db2.gz NTWRTBDZTJUGHI-FNORWQNLSA-N -1 0 332.327 3.453 20 30 EGEDRM C[C@@H](Oc1ccc(C=NNc2ccc(F)c([N+](=O)[O-])c2)cc1)C(=O)[O-] ZINC000794931633 1309624013 /nfs/dbraw/zinc/62/40/13/1309624013.db2.gz ZPUSQNLPVUUASH-SNVBAGLBSA-N -1 0 347.302 3.032 20 30 EGEDRM COC(=O)c1ccc(Cl)c(/C=C\C(=O)c2ccc(O)cc2[O-])c1 ZINC000794940884 1309627158 /nfs/dbraw/zinc/62/71/58/1309627158.db2.gz DORPFOGMEWQBAU-CLTKARDFSA-N -1 0 332.739 3.434 20 30 EGEDRM N#CC(C(=O)NC1CC1)=C([O-])c1ccc2nc(-c3ccccc3)oc2c1 ZINC000796633390 1310050883 /nfs/dbraw/zinc/05/08/83/1310050883.db2.gz CZBRIUOEOHWNJC-OAHLLOKOSA-N -1 0 345.358 3.096 20 30 EGEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1cnc2c(F)cccc2c1 ZINC000796748099 1310077804 /nfs/dbraw/zinc/07/78/04/1310077804.db2.gz OXFLGDBFYWWJBH-OAHLLOKOSA-N -1 0 339.370 3.145 20 30 EGEDRM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])c1cncs1 ZINC000796747089 1310078940 /nfs/dbraw/zinc/07/89/40/1310078940.db2.gz MJRHRDMWXGNSGL-SECBINFHSA-N -1 0 349.799 3.075 20 30 EGEDRM N#Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000798210687 1310317657 /nfs/dbraw/zinc/31/76/57/1310317657.db2.gz GAXFTDMYCXBCTN-UHFFFAOYSA-N -1 0 346.170 3.200 20 30 EGEDRM O=C(/C=C/c1ccc([N+](=O)[O-])c([O-])c1)c1ccnn1-c1ccccc1 ZINC000798371265 1310348946 /nfs/dbraw/zinc/34/89/46/1310348946.db2.gz LFYRORFNZWIJQV-VQHVLOKHSA-N -1 0 335.319 3.382 20 30 EGEDRM COC(=O)[C@@H](OC(=O)c1cc([S-])ccc1F)c1cccc(C#N)c1 ZINC000798725394 1310430976 /nfs/dbraw/zinc/43/09/76/1310430976.db2.gz ZAKTXGHGYIKRNF-HNNXBMFYSA-N -1 0 345.351 3.057 20 30 EGEDRM Cc1[nH]c(C=NNCc2ccc(C(F)(F)F)cc2)cc1C(=O)[O-] ZINC000800810221 1310809373 /nfs/dbraw/zinc/80/93/73/1310809373.db2.gz JEUJANATDACYMR-UHFFFAOYSA-N -1 0 325.290 3.164 20 30 EGEDRM N#CCOC(=O)c1nn(-c2cc(Cl)c(Cl)cc2Cl)cc1[O-] ZINC000801381027 1310921390 /nfs/dbraw/zinc/92/13/90/1310921390.db2.gz UPYCVNDDJTXBEZ-UHFFFAOYSA-N -1 0 346.557 3.218 20 30 EGEDRM CCON(CC1CCCCC1)C(=O)c1cc(C#N)c(SC)[n-]c1=O ZINC000837197315 1320584998 /nfs/dbraw/zinc/58/49/98/1320584998.db2.gz PWLFISYFYMMPPG-UHFFFAOYSA-N -1 0 349.456 3.355 20 30 EGEDRM CC(CCc1ccc(OCC(=O)[O-])cc1)N=Nc1ncc(Cl)cn1 ZINC000857221059 1328524927 /nfs/dbraw/zinc/52/49/27/1328524927.db2.gz RVFAYHWTESAFCS-UHFFFAOYSA-N -1 0 348.790 3.014 20 30 EGEDRM CCn1cc(/C=C/C(=O)c2ccc(OCCCC(=O)[O-])cc2)c(C)n1 ZINC000899338865 1316995195 /nfs/dbraw/zinc/99/51/95/1316995195.db2.gz RVZYBFWXICLJCV-DHZHZOJOSA-N -1 0 342.395 3.351 20 30 EGEDRM N#Cc1ccc(-n2[n-]c(C3CCOCC3)cc2=O)cc1C(F)(F)F ZINC000899350411 1316998181 /nfs/dbraw/zinc/99/81/81/1316998181.db2.gz YNUNUAGVDQBFCW-UHFFFAOYSA-N -1 0 337.301 3.096 20 30 EGEDRM C[C@@H](Oc1cccc(/C=C/C(=O)c2cnn(C3CCC3)c2)c1)C(=O)[O-] ZINC000899407502 1317022717 /nfs/dbraw/zinc/02/27/17/1317022717.db2.gz SWBUXCFKAMJZMH-MMQHEFTJSA-N -1 0 340.379 3.356 20 30 EGEDRM C#CC[C@H](NC(=O)Nc1cccc(CSC(C)C)c1C)C(=O)[O-] ZINC000900336315 1317275692 /nfs/dbraw/zinc/27/56/92/1317275692.db2.gz RKSFFINMEIOJBF-HNNXBMFYSA-N -1 0 334.441 3.235 20 30 EGEDRM CC(C)(C)OCc1ccccc1[N-]S(=O)(=O)c1cncc(C#N)c1 ZINC000901739989 1317470792 /nfs/dbraw/zinc/47/07/92/1317470792.db2.gz WBSSDMXAFXSSLO-UHFFFAOYSA-N -1 0 345.424 3.069 20 30 EGEDRM O=C([O-])[C@H]1C/C(=C\c2cccc3c2OCCO3)C(=O)c2ccccc21 ZINC000806561426 1317501813 /nfs/dbraw/zinc/50/18/13/1317501813.db2.gz VHYXAASSVPOZSV-ISBHARSQSA-N -1 0 336.343 3.296 20 30 EGEDRM C[C@@H](Oc1ccc(/C=C2\Cc3nc(Cl)ccc3C2=O)cc1)C(=O)[O-] ZINC000806578072 1317506400 /nfs/dbraw/zinc/50/64/00/1317506400.db2.gz MIUKLYPNOGRVOA-ZDIKFAODSA-N -1 0 343.766 3.409 20 30 EGEDRM COc1ccc(C(=O)/C=C\c2ccc(O)c(C(=O)[O-])c2)c(C)c1OC ZINC000809156697 1317776018 /nfs/dbraw/zinc/77/60/18/1317776018.db2.gz JGXOPEFEFNFUIB-DAXSKMNVSA-N -1 0 342.347 3.312 20 30 EGEDRM O=C([O-])c1cc(/C=C\C(=O)c2cnn(-c3ccccc3)c2)ccc1O ZINC000809153722 1317776110 /nfs/dbraw/zinc/77/61/10/1317776110.db2.gz CNTOHCUDIWURNZ-VURMDHGXSA-N -1 0 334.331 3.172 20 30 EGEDRM CCc1c(C)sc([N-]S(=O)(=O)c2cnn(C(C)C)c2)c1C#N ZINC000906072363 1318033664 /nfs/dbraw/zinc/03/36/64/1318033664.db2.gz IBSQHQJJVDQOKW-UHFFFAOYSA-N -1 0 338.458 3.069 20 30 EGEDRM COCc1nc(C/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])cs1 ZINC000811625238 1318215534 /nfs/dbraw/zinc/21/55/34/1318215534.db2.gz HPZJTRKISMPKRS-TVPGTPATSA-N -1 0 341.776 3.176 20 30 EGEDRM O=C([O-])c1ccc2c(c1)CCCCC2N=Nc1nccnc1Cl ZINC000811644444 1318218026 /nfs/dbraw/zinc/21/80/26/1318218026.db2.gz ZRUJMZPZENVTJG-UHFFFAOYSA-N -1 0 330.775 3.371 20 30 EGEDRM CCCCCCCS(=O)(=O)[N-]c1nc2cc(Cl)ccn2n1 ZINC000811833321 1318276086 /nfs/dbraw/zinc/27/60/86/1318276086.db2.gz XGXCLZYXVMJSGZ-UHFFFAOYSA-N -1 0 330.841 3.095 20 30 EGEDRM C=CCc1cc(C(=O)N[C@H](CC(=O)[O-])C(C)(C)C)cc(OC)c1OC ZINC000908018685 1318292173 /nfs/dbraw/zinc/29/21/73/1318292173.db2.gz LQRKZBUGNWBYDQ-OAHLLOKOSA-N -1 0 349.427 3.052 20 30 EGEDRM C#CCC1(C(=O)NCCc2ccc(C(=O)[O-])cc2OC)CCCCC1 ZINC000909628666 1318506411 /nfs/dbraw/zinc/50/64/11/1318506411.db2.gz HVZMJOLDRNJDNU-UHFFFAOYSA-N -1 0 343.423 3.026 20 30 EGEDRM C#CCC1(C(=O)N2CC[C@@](C(=O)[O-])(c3ccccc3)C2)CCCCC1 ZINC000909862628 1318531336 /nfs/dbraw/zinc/53/13/36/1318531336.db2.gz PFCXVMBOWAZDIT-NRFANRHFSA-N -1 0 339.435 3.215 20 30 EGEDRM COCc1ccccc1C=C(C)C=CC([O-])=C1C(=O)C=C(C)OC1=O ZINC000814187744 1318693368 /nfs/dbraw/zinc/69/33/68/1318693368.db2.gz RHZJEWXQWRVMAV-JWHVRZMCSA-N -1 0 340.375 3.008 20 30 EGEDRM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2OCC#N)s1 ZINC000814211475 1318702133 /nfs/dbraw/zinc/70/21/33/1318702133.db2.gz GRWIVJMFFPHHRF-UHFFFAOYSA-N -1 0 340.401 3.207 20 30 EGEDRM CC(=NNc1cccc([N+](=O)[O-])c1)c1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000814694524 1318800137 /nfs/dbraw/zinc/80/01/37/1318800137.db2.gz NZFMVPXQFGOWBC-GFCCVEGCSA-N -1 0 343.339 3.283 20 30 EGEDRM Cc1cccc(C)c1NC(=S)NN=C1CC[C@H](C(=O)[O-])C[C@H]1C ZINC000814706963 1318801415 /nfs/dbraw/zinc/80/14/15/1318801415.db2.gz HNYYDBFDKOQBLP-OLZOCXBDSA-N -1 0 333.457 3.467 20 30 EGEDRM Cc1cccc(NC(=S)NN=C2CC[C@H](C(=O)[O-])C[C@@H]2C)c1C ZINC000814706875 1318801433 /nfs/dbraw/zinc/80/14/33/1318801433.db2.gz GLYKZXDYSFNLLF-AAEUAGOBSA-N -1 0 333.457 3.467 20 30 EGEDRM Cc1cccc(C)c1NC(=S)NN=C1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000814707517 1318801705 /nfs/dbraw/zinc/80/17/05/1318801705.db2.gz QVUBPPFTECTULS-GXTWGEPZSA-N -1 0 333.457 3.467 20 30 EGEDRM Cc1cc(N=NC(C)c2cccc(OCCCC(=O)[O-])c2)nc(C)n1 ZINC000814807230 1318820992 /nfs/dbraw/zinc/82/09/92/1318820992.db2.gz LSRUOFBBDVYUJA-UHFFFAOYSA-N -1 0 342.399 3.173 20 30 EGEDRM CC(=NNCc1cc(F)ccc1F)c1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000814808614 1318822649 /nfs/dbraw/zinc/82/26/49/1318822649.db2.gz CWEDLLBIILBJPL-GFCCVEGCSA-N -1 0 348.349 3.331 20 30 EGEDRM COC(=O)c1cccc(NN=Cc2cccc(C(=O)[O-])c2Cl)c1 ZINC000814901112 1318842568 /nfs/dbraw/zinc/84/25/68/1318842568.db2.gz YQORXMAIKRHAOQ-UHFFFAOYSA-N -1 0 332.743 3.271 20 30 EGEDRM C[C@H]1C[C@H](C(=O)[O-])CCC1N=Nc1ccnc(Br)c1 ZINC000814904681 1318844378 /nfs/dbraw/zinc/84/43/78/1318844378.db2.gz UNQYEVMSDHEXFN-DTWKUNHWSA-N -1 0 326.194 3.133 20 30 EGEDRM C[C@@H]1CC(N=Nc2ccnc(Br)c2)CC[C@@H]1C(=O)[O-] ZINC000814904503 1318844699 /nfs/dbraw/zinc/84/46/99/1318844699.db2.gz MBHNZPMLUDNHFM-KCJUWKMLSA-N -1 0 326.194 3.133 20 30 EGEDRM O=C([O-])C1(c2cccc(Cl)c2)CC(N=Nc2cccc(F)n2)C1 ZINC000814928138 1318851493 /nfs/dbraw/zinc/85/14/93/1318851493.db2.gz YFNPDBVVSOSTLQ-UHFFFAOYSA-N -1 0 333.750 3.458 20 30 EGEDRM C[C@@H](C(=O)Nc1cc(C#N)ccc1[O-])[C@H]1OCCc2sccc21 ZINC000815877762 1319066896 /nfs/dbraw/zinc/06/68/96/1319066896.db2.gz GFKZLVKTXIPTBP-QLJPJBMISA-N -1 0 328.393 3.214 20 30 EGEDRM CNC(=O)C(C#N)=C([O-])c1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000815911768 1319072374 /nfs/dbraw/zinc/07/23/74/1319072374.db2.gz NTUDSOSTGCIYDK-LLVKDONJSA-N -1 0 336.269 3.034 20 30 EGEDRM O=C1CCCN1Cc1cccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000914600429 1319354416 /nfs/dbraw/zinc/35/44/16/1319354416.db2.gz VBGWFCNCQBYAJP-UHFFFAOYSA-N -1 0 339.351 3.173 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)Nc2ccc(N(C)C)c(C)c2)cc1C#N ZINC000915070939 1319417359 /nfs/dbraw/zinc/41/73/59/1319417359.db2.gz WPWAOIYRCOTCGI-UHFFFAOYSA-N -1 0 342.424 3.008 20 30 EGEDRM CCCCCN1c2ccccc2C(=N[N-]c2nc(C)cc(C)n2)C1=O ZINC000916242012 1319624181 /nfs/dbraw/zinc/62/41/81/1319624181.db2.gz VUBKTDJKEOXRAM-UHFFFAOYSA-N -1 0 337.427 3.446 20 30 EGEDRM CC(C)(C)n1cc(C(=O)C([O-])=C(C#N)c2ccc3ccccc3n2)cn1 ZINC000916848426 1319713682 /nfs/dbraw/zinc/71/36/82/1319713682.db2.gz FWRRJFYOWAJPKA-HNNXBMFYSA-N -1 0 346.390 3.245 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(COC(C)C)cc1 ZINC000916877449 1319718730 /nfs/dbraw/zinc/71/87/30/1319718730.db2.gz FLXIAYQVNYXANP-KRWDZBQOSA-N -1 0 330.428 3.240 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(C(F)(F)F)cn1 ZINC000916875801 1319719245 /nfs/dbraw/zinc/71/92/45/1319719245.db2.gz JRSOQQKMPOWPMY-GFCCVEGCSA-N -1 0 341.333 3.119 20 30 EGEDRM Fc1ccc2[nH]c3c(c2c1)C(=NNc1[n-]cnc2ncnc1-2)CCC3 ZINC000917555697 1319836115 /nfs/dbraw/zinc/83/61/15/1319836115.db2.gz MHIXWDLFPBYTJP-UHFFFAOYSA-N -1 0 335.346 3.126 20 30 EGEDRM C=C[C@@H]1OCCC[C@H]1NC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000836616931 1320512589 /nfs/dbraw/zinc/51/25/89/1320512589.db2.gz YYLFQXXEDWRWRQ-OLZOCXBDSA-N -1 0 345.226 3.232 20 30 EGEDRM CCC[C@@H]1CCC[C@@H]1C(=O)OCC([O-])=C(C#N)c1nc(C)cs1 ZINC000837831714 1320691070 /nfs/dbraw/zinc/69/10/70/1320691070.db2.gz HHBVRSYJVXYWSR-RDBSUJKOSA-N -1 0 334.441 3.387 20 30 EGEDRM O=C([O-])c1ccc(NN=Cc2ccc(OC[C@@H]3CCCO3)cc2)cc1 ZINC000839382450 1320910652 /nfs/dbraw/zinc/91/06/52/1320910652.db2.gz TUMNJHPLXXBQOB-SFHVURJKSA-N -1 0 340.379 3.389 20 30 EGEDRM C#CCCCS(=O)(=O)[N-]c1nc(-c2ccc(C)s2)cs1 ZINC000840946478 1321183558 /nfs/dbraw/zinc/18/35/58/1321183558.db2.gz OIIRYZARFBMKSJ-UHFFFAOYSA-N -1 0 326.468 3.335 20 30 EGEDRM CC(C)(C)n1cc(C(=O)C([O-])=C(C#N)c2nc(C3CC3)cs2)cn1 ZINC000842941016 1321452134 /nfs/dbraw/zinc/45/21/34/1321452134.db2.gz GTNNTLNRCAJYRJ-LBPRGKRZSA-N -1 0 342.424 3.031 20 30 EGEDRM CCCCCCCCCS(=O)(=O)NC1CCC(C(=O)[O-])CC1 ZINC000844689797 1321637096 /nfs/dbraw/zinc/63/70/96/1321637096.db2.gz ZHZBTEBLGMKYCW-UHFFFAOYSA-N -1 0 333.494 3.300 20 30 EGEDRM C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccc(S[C@H](C)CC)cc1C ZINC000846156100 1321772568 /nfs/dbraw/zinc/77/25/68/1321772568.db2.gz SPIMMJHIJRRJLV-QWHCGFSZSA-N -1 0 336.457 3.446 20 30 EGEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2cccc(C3CC3)c2)cc1 ZINC000847625319 1321885521 /nfs/dbraw/zinc/88/55/21/1321885521.db2.gz IQIYURIHYPFPCF-IBGZPJMESA-N -1 0 348.402 3.211 20 30 EGEDRM C[C@@H](OC(=O)c1ccc([O-])c(Cl)c1)C(=O)Nc1cccc(C#N)c1 ZINC000848950434 1322050948 /nfs/dbraw/zinc/05/09/48/1322050948.db2.gz STQRNWXOOSGSNQ-SNVBAGLBSA-N -1 0 344.754 3.101 20 30 EGEDRM COc1ccc(C(=O)/C=C\c2ccc(O[C@H]3CCOC3)cc2)c([O-])c1 ZINC000849247250 1322101524 /nfs/dbraw/zinc/10/15/24/1322101524.db2.gz RBQANAAWMCHJAZ-ASRSSLEJSA-N -1 0 340.375 3.465 20 30 EGEDRM C=CCS(=O)(=O)[N-]C(=O)[C@H](CC(C)C)c1ccc(Cl)cc1 ZINC000850912836 1322310327 /nfs/dbraw/zinc/31/03/27/1322310327.db2.gz HUOVNUFYNLDQTJ-CQSZACIVSA-N -1 0 329.849 3.102 20 30 EGEDRM Cc1cc(Br)c(C(=O)[O-])cc1NC(=O)C1(C#N)CCC1 ZINC000923105636 1322693455 /nfs/dbraw/zinc/69/34/55/1322693455.db2.gz UUJUOJJFMGLWPU-UHFFFAOYSA-N -1 0 337.173 3.088 20 30 EGEDRM CCCn1nccc1/C=C/C(=O)c1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000853005814 1323259718 /nfs/dbraw/zinc/25/97/18/1323259718.db2.gz VULFUTRYLYAQFT-GWJCSSMESA-N -1 0 328.368 3.041 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)N[C@@H](CC)c1ccccc1OC(F)F ZINC000929032950 1328492287 /nfs/dbraw/zinc/49/22/87/1328492287.db2.gz XUAONLQYOCPQDZ-LBPRGKRZSA-N -1 0 342.342 3.021 20 30 EGEDRM C=CC[C@@H](NC(=O)N1CCC[C@@]1(CCC)C(=O)[O-])c1ccncc1 ZINC000929032732 1328492728 /nfs/dbraw/zinc/49/27/28/1328492728.db2.gz HTPJFELILBVRGU-QAPCUYQASA-N -1 0 331.416 3.128 20 30 EGEDRM COc1cc(OC)c(C(=O)[O-])cc1/C=C/C(=O)c1coc(C(C)C)n1 ZINC000863190773 1329532924 /nfs/dbraw/zinc/53/29/24/1329532924.db2.gz BGJKSNNOYOKGGZ-AATRIKPKSA-N -1 0 345.351 3.410 20 30 EGEDRM N#Cc1cccc(NC(=S)Nc2nc(Br)ccc2[O-])c1 ZINC001197674728 1368870263 /nfs/dbraw/zinc/87/02/63/1368870263.db2.gz BJUNSYVCBAXZBG-UHFFFAOYSA-N -1 0 349.213 3.230 20 30 EGEDRM C[C@@H]([N-]C(=O)C(F)(F)OCC(F)(F)F)c1cc(F)cc(F)c1 ZINC001183194367 1387276920 /nfs/dbraw/zinc/27/69/20/1387276920.db2.gz HMCWMPOCELSPSV-ZCFIWIBFSA-N -1 0 333.203 3.314 20 30 EGEDRM CC[C@H](CC#N)NC(=O)CCC(=O)C=C([O-])c1ccc(Cl)cc1 ZINC001184118839 1387396032 /nfs/dbraw/zinc/39/60/32/1387396032.db2.gz ONEJWMNSBCWINK-CQSZACIVSA-N -1 0 334.803 3.071 20 30 EGEDRM O=C(CCC(=O)C1=CC=C[CH]1)N[C@@H](c1ccccc1)c1ccncc1 ZINC001184243265 1387418517 /nfs/dbraw/zinc/41/85/17/1387418517.db2.gz BDYJVKFZXQSIBS-NRFANRHFSA-N -1 0 331.395 3.337 20 30 EGEDRM O=C(CCC(=O)C1=CC=C[CH]1)Nc1nc(F)c(F)c(Cl)c1F ZINC001184241370 1387418566 /nfs/dbraw/zinc/41/85/66/1387418566.db2.gz RDZPRBQJVIEZMN-UHFFFAOYSA-N -1 0 329.685 3.141 20 30 EGEDRM CCCCCCCN(C)S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001184679813 1387507460 /nfs/dbraw/zinc/50/74/60/1387507460.db2.gz WCYICLMOAPMZQL-UHFFFAOYSA-N -1 0 327.446 3.284 20 30 EGEDRM N#Cc1cc(F)cc(F)c1[N-]S(=O)(=O)Cc1ccc(F)c(F)c1 ZINC001189317087 1366986990 /nfs/dbraw/zinc/98/69/90/1366986990.db2.gz ZXSILDSFMAWSGH-UHFFFAOYSA-N -1 0 344.289 3.057 20 30 EGEDRM N#Cc1cccc(Cl)c1[N-]S(=O)(=O)Cc1cccc(F)c1F ZINC001189453529 1367026187 /nfs/dbraw/zinc/02/61/87/1367026187.db2.gz PRKWUXTYTVNHPB-UHFFFAOYSA-N -1 0 342.754 3.432 20 30 EGEDRM N#Cc1c(F)ccc(F)c1[N-]S(=O)(=O)Cc1cc(F)ccc1F ZINC001189697373 1367089385 /nfs/dbraw/zinc/08/93/85/1367089385.db2.gz QZPICVRZLKMHAZ-UHFFFAOYSA-N -1 0 344.289 3.057 20 30 EGEDRM N#Cc1oc2ccccc2c1[N-]S(=O)(=O)c1cc(C#N)ccc1F ZINC001190617394 1367310397 /nfs/dbraw/zinc/31/03/97/1367310397.db2.gz JBFFOVCUSYKQGC-UHFFFAOYSA-N -1 0 341.323 3.116 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(-c3cnco3)cc2)c1 ZINC001190647697 1367315108 /nfs/dbraw/zinc/31/51/08/1367315108.db2.gz HCWJSQDUHGACBA-UHFFFAOYSA-N -1 0 343.339 3.153 20 30 EGEDRM CCCOc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2F)cc1 ZINC001190648738 1367316074 /nfs/dbraw/zinc/31/60/74/1367316074.db2.gz YZOUQFHMGSMWKE-UHFFFAOYSA-N -1 0 334.372 3.287 20 30 EGEDRM COc1cc(Cl)cc([N-]S(=O)(=O)c2cc(C#N)ccc2F)c1 ZINC001190650550 1367316340 /nfs/dbraw/zinc/31/63/40/1367316340.db2.gz GRBAWHOIBLSUMQ-UHFFFAOYSA-N -1 0 340.763 3.160 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]c2cc(OC)c(Cl)cc2OC)CC1 ZINC001190762666 1367344461 /nfs/dbraw/zinc/34/44/61/1367344461.db2.gz RLNWUYGAHJLDEE-UHFFFAOYSA-N -1 0 331.821 3.208 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2C#N)CC1 ZINC001190815606 1367357116 /nfs/dbraw/zinc/35/71/16/1367357116.db2.gz RNFDHBNDCABAKU-UHFFFAOYSA-N -1 0 346.330 3.307 20 30 EGEDRM N=C(c1ccccc1N)N(O)C(=O)c1nc(-c2ccccc2)cs1 ZINC001191047620 1367409266 /nfs/dbraw/zinc/40/92/66/1367409266.db2.gz GDLURBWYXQBCBK-UHFFFAOYSA-N -1 0 338.392 3.249 20 30 EGEDRM CCCCCCCNC(=O)Nc1ccc(OC)cc1S(=O)(=O)[O-] ZINC001191106885 1367424361 /nfs/dbraw/zinc/42/43/61/1367424361.db2.gz VHQWJNLYDWNIGT-UHFFFAOYSA-N -1 0 344.433 3.034 20 30 EGEDRM CCCCc1ccc(S(=O)(=O)[N-]c2c(C#N)cnn2C(C)C)cc1 ZINC001191233835 1367454513 /nfs/dbraw/zinc/45/45/13/1367454513.db2.gz UKCXQKZNELLNDO-UHFFFAOYSA-N -1 0 346.456 3.479 20 30 EGEDRM N#CC1=C([N-]S(=O)(=O)Cc2ccc(Cl)cc2F)SCC1=O ZINC001191866193 1367619532 /nfs/dbraw/zinc/61/95/32/1367619532.db2.gz OTQNNIMXTPQRNK-UHFFFAOYSA-N -1 0 346.792 3.060 20 30 EGEDRM Cc1cc(Cl)ncc1S(=O)(=O)[N-]c1ccc([C@H](C)C#N)cc1 ZINC001192356672 1367761326 /nfs/dbraw/zinc/76/13/26/1367761326.db2.gz WVOVYHWGJBYDME-LLVKDONJSA-N -1 0 335.816 3.471 20 30 EGEDRM N#Cc1ccc(NC(=O)c2cc(F)c([O-])cc2F)c2cccnc12 ZINC001192879283 1367894583 /nfs/dbraw/zinc/89/45/83/1367894583.db2.gz FKZPRECYSYGRDS-UHFFFAOYSA-N -1 0 325.274 3.343 20 30 EGEDRM N#Cc1cccc2[nH]nc(NC(=O)c3cc(Cl)nc(Cl)c3[O-])c21 ZINC001193083654 1367939215 /nfs/dbraw/zinc/93/92/15/1367939215.db2.gz VSYCAEQCABTCHT-UHFFFAOYSA-N -1 0 348.149 3.094 20 30 EGEDRM N#Cc1ccc(NC(=O)c2cc(O)c([O-])c(Cl)c2)c2cccnc12 ZINC001193624669 1368077390 /nfs/dbraw/zinc/07/73/90/1368077390.db2.gz IXOUVNOSDMPROP-UHFFFAOYSA-N -1 0 339.738 3.423 20 30 EGEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)c1 ZINC001193635880 1368080745 /nfs/dbraw/zinc/08/07/45/1368080745.db2.gz GNSCXQFKVDZJDG-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2ccc(C3CCC3)nc2)c1 ZINC001193654078 1368086042 /nfs/dbraw/zinc/08/60/42/1368086042.db2.gz SWHUABOKEUCNJP-UHFFFAOYSA-N -1 0 343.408 3.030 20 30 EGEDRM Cc1cc(NC(=O)c2ccc(C#N)cc2[O-])nc(C)c1Br ZINC001195733615 1368479418 /nfs/dbraw/zinc/47/94/18/1368479418.db2.gz TWZYCNAXWNFVKE-UHFFFAOYSA-N -1 0 346.184 3.291 20 30 EGEDRM Cc1ccccc1-c1cc(NC(=O)c2ccc(C#N)cc2[O-])n(C)n1 ZINC001195740376 1368480920 /nfs/dbraw/zinc/48/09/20/1368480920.db2.gz DJPJFYUNEPCARO-UHFFFAOYSA-N -1 0 332.363 3.225 20 30 EGEDRM N#Cc1cc(Cl)cc(Cl)c1[N-]S(=O)(=O)c1ccc(O)cc1 ZINC001195795056 1368492021 /nfs/dbraw/zinc/49/20/21/1368492021.db2.gz XOVLVRBFWRBRNL-UHFFFAOYSA-N -1 0 343.191 3.371 20 30 EGEDRM Cn1cccc1-c1cc(C(=O)[N-]c2c(C#N)ccc(F)c2F)no1 ZINC001195999092 1368532526 /nfs/dbraw/zinc/53/25/26/1368532526.db2.gz HNDSTOLMZWOJSS-UHFFFAOYSA-N -1 0 328.278 3.082 20 30 EGEDRM COc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)ccc1C ZINC001196679734 1368661102 /nfs/dbraw/zinc/66/11/02/1368661102.db2.gz IOQQDXFJAUEZBZ-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM N#Cc1cc(F)c(NC(=S)Nc2ccc(C(=O)[O-])cc2)cc1F ZINC001197107675 1368745973 /nfs/dbraw/zinc/74/59/73/1368745973.db2.gz KKICNCMLJUXQTH-UHFFFAOYSA-N -1 0 333.319 3.344 20 30 EGEDRM Cc1cc(Br)oc1C(=O)Nc1cc(C#N)c(F)cc1[O-] ZINC001197326596 1368788314 /nfs/dbraw/zinc/78/83/14/1368788314.db2.gz MIAFDOJVWZVRPY-UHFFFAOYSA-N -1 0 339.120 3.319 20 30 EGEDRM N#Cc1ccc(F)cc1[N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC001197673820 1368870423 /nfs/dbraw/zinc/87/04/23/1368870423.db2.gz YZJREMVPLJXFKJ-UHFFFAOYSA-N -1 0 342.754 3.432 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2nc(C(F)(F)F)cs2)cc1C#N ZINC001201293141 1369512380 /nfs/dbraw/zinc/51/23/80/1369512380.db2.gz QLYLRHHMQXUOGC-UHFFFAOYSA-N -1 0 347.343 3.143 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2cccc3c2C(=O)CCC3)cc1C#N ZINC001201323062 1369520125 /nfs/dbraw/zinc/52/01/25/1369520125.db2.gz YORDIKXZPKUUMR-UHFFFAOYSA-N -1 0 340.404 3.187 20 30 EGEDRM Cc1cc(C)c(Nc2cc(F)c(C#N)c(F)c2)c(S(=O)(=O)[O-])c1 ZINC001203678721 1370214620 /nfs/dbraw/zinc/21/46/20/1370214620.db2.gz RNRPHPSIJTYMGY-UHFFFAOYSA-N -1 0 338.335 3.444 20 30 EGEDRM Cc1oncc1S(=O)(=O)[N-]c1ccc(C#C[Si](C)(C)C)cc1 ZINC001187370547 1388100273 /nfs/dbraw/zinc/10/02/73/1388100273.db2.gz HKJCBXRSGWPGEZ-UHFFFAOYSA-N -1 0 334.473 3.013 20 30 EGEDRM C=CC[C@@H](NC(=O)c1ccc(-c2ccc(OC)cc2)cc1F)C(=O)[O-] ZINC001116906488 1370998257 /nfs/dbraw/zinc/99/82/57/1370998257.db2.gz KZLXJCXIPGHLEK-QGZVFWFLSA-N -1 0 343.354 3.260 20 30 EGEDRM C=CC[C@@H](NC(=O)c1cc(-c2ccccn2)ccc1Cl)C(=O)[O-] ZINC001116922409 1371001192 /nfs/dbraw/zinc/00/11/92/1371001192.db2.gz SANJFPWFSSZMPQ-OAHLLOKOSA-N -1 0 330.771 3.161 20 30 EGEDRM N#CCC(=O)Nc1nc2ccccc2nc1-c1cc(F)c([O-])cc1F ZINC001206767869 1371158119 /nfs/dbraw/zinc/15/81/19/1371158119.db2.gz LMEIAUKKKDIVOG-UHFFFAOYSA-N -1 0 340.289 3.133 20 30 EGEDRM CCOc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Cl)cn1 ZINC001122415559 1372244508 /nfs/dbraw/zinc/24/45/08/1372244508.db2.gz WSPYRKNEVSRAGD-LBPRGKRZSA-N -1 0 343.770 3.095 20 30 EGEDRM CNC(=O)c1cc(C#N)cc(C)c1Nc1cc(C(=O)[O-])cc(F)c1C ZINC001210011627 1372255931 /nfs/dbraw/zinc/25/59/31/1372255931.db2.gz WIJIHLPXFKXUIV-UHFFFAOYSA-N -1 0 341.342 3.116 20 30 EGEDRM N#Cc1cnn(-c2cccc(Cl)c2)c1Nc1ccc(C(=O)[O-])nc1 ZINC001210172180 1372287491 /nfs/dbraw/zinc/28/74/91/1372287491.db2.gz TUYZVKYEUWYRTD-UHFFFAOYSA-N -1 0 339.742 3.234 20 30 EGEDRM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3csc(-c4ccco4)n3)nc1-2 ZINC001122712425 1372304469 /nfs/dbraw/zinc/30/44/69/1372304469.db2.gz AHYTTZIEJXKBFJ-JTQLQIEISA-N -1 0 349.375 3.473 20 30 EGEDRM N#CC(=C([O-])c1csc(N2CCCCC2)n1)c1cccc(F)n1 ZINC001122738207 1372310626 /nfs/dbraw/zinc/31/06/26/1372310626.db2.gz QYZNOFTZJMEIFF-LLVKDONJSA-N -1 0 330.388 3.158 20 30 EGEDRM C[C@H]1CC(=O)C=C(Nc2ccc(S(=O)(=O)[O-])c3ccccc23)C1 ZINC001210773589 1372424474 /nfs/dbraw/zinc/42/44/74/1372424474.db2.gz ZSQFCIUUQQRAOY-LLVKDONJSA-N -1 0 331.393 3.381 20 30 EGEDRM N#Cc1cccc2c1c(N)nn2-c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC001211481318 1372567028 /nfs/dbraw/zinc/56/70/28/1372567028.db2.gz FENPBRXWRWHVTQ-UHFFFAOYSA-N -1 0 346.268 3.196 20 30 EGEDRM N#Cc1cc(N)c(Nc2cc(C(=O)[O-])c(Cl)cc2F)cc1C#N ZINC001214748059 1373114650 /nfs/dbraw/zinc/11/46/50/1373114650.db2.gz JLWJXDVXFBBALS-UHFFFAOYSA-N -1 0 330.706 3.246 20 30 EGEDRM N#Cc1cc(Nc2cnc(F)c(C(=O)[O-])c2)ccc1N1CCCC1 ZINC001215113563 1373172124 /nfs/dbraw/zinc/17/21/24/1373172124.db2.gz FZECZDCINBIOEW-UHFFFAOYSA-N -1 0 326.331 3.134 20 30 EGEDRM COC(=O)c1ccc(Nc2c(F)cc(C(=O)[O-])cc2F)c(C#N)c1 ZINC001215616704 1373218381 /nfs/dbraw/zinc/21/83/81/1373218381.db2.gz WGDQCSZPUYSNHE-UHFFFAOYSA-N -1 0 332.262 3.065 20 30 EGEDRM COc1cc(/C=C/C(=O)c2ccccc2[O-])ccc1O[C@H]1C[C@H](O)C1 ZINC001218360719 1373603005 /nfs/dbraw/zinc/60/30/05/1373603005.db2.gz AJCXNWPVZKKCQP-AONXAHLYSA-N -1 0 340.375 3.199 20 30 EGEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])OCc1ccc(CCCC)cc1 ZINC001223847831 1375045012 /nfs/dbraw/zinc/04/50/12/1375045012.db2.gz PWACZXQQPVWHCF-KRWDZBQOSA-N -1 0 342.457 3.005 20 30 EGEDRM CCCCCCC[C@@H](C)Oc1nc(=O)[n-]c(C(=O)OC)c1[N+](=O)[O-] ZINC001226652789 1375300221 /nfs/dbraw/zinc/30/02/21/1375300221.db2.gz NPNOOMFZEAPQKU-SNVBAGLBSA-N -1 0 341.364 3.005 20 30 EGEDRM C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ccc(C)cc1C(C)(C)C ZINC001227449964 1375432426 /nfs/dbraw/zinc/43/24/26/1375432426.db2.gz JZASVQBLDDKMNC-CQSZACIVSA-N -1 0 342.457 3.130 20 30 EGEDRM C=CC[C@@H](CCC)Oc1c([O-])c(C(=O)OC)sc1C(=O)OC ZINC001227620914 1375454403 /nfs/dbraw/zinc/45/44/03/1375454403.db2.gz XBSVZYBXFCNWHT-VIFPVBQESA-N -1 0 328.386 3.151 20 30 EGEDRM C=CC[C@H](Oc1[n-]c(=O)nc2ncn(C)c21)c1ccc(Cl)cc1 ZINC001228675724 1375636537 /nfs/dbraw/zinc/63/65/37/1375636537.db2.gz WZMPPIGPFBXUFX-LBPRGKRZSA-N -1 0 330.775 3.419 20 30 EGEDRM C[C@H](Oc1[n-]c(=O)ccc1C#N)c1c(F)c(F)c(F)c(F)c1F ZINC001228898097 1375709085 /nfs/dbraw/zinc/70/90/85/1375709085.db2.gz BVCOQIRHQJMMNF-YFKPBYRVSA-N -1 0 330.212 3.494 20 30 EGEDRM CCc1c(C)nc2sc(C#N)c([N-]S(=O)(=O)CC3CC3)c2c1C ZINC001188938450 1388414276 /nfs/dbraw/zinc/41/42/76/1388414276.db2.gz GEJWLNPSHLIDAM-UHFFFAOYSA-N -1 0 349.481 3.499 20 30 EGEDRM COc1ccccc1OC[C@@H](C)Oc1ccc(/C=N/O)cc1OC ZINC001233802516 1376719487 /nfs/dbraw/zinc/71/94/87/1376719487.db2.gz HBDLTOKCMBPBAF-OTGIAGGSSA-N -1 0 331.368 3.358 20 30 EGEDRM Cc1ccc(C(=O)[O-])cc1-c1nc2ccccc2nc1C(C#N)C#N ZINC001241000866 1377018646 /nfs/dbraw/zinc/01/86/46/1377018646.db2.gz VJZRUNGXHVJUSA-UHFFFAOYSA-N -1 0 328.331 3.434 20 30 EGEDRM N#CC[C@H]1CCC[N@@H+](Cc2cc(Br)c(F)cc2[O-])C1 ZINC001144300275 1378713346 /nfs/dbraw/zinc/71/33/46/1378713346.db2.gz ZWXCWHWCKGCSQD-SNVBAGLBSA-N -1 0 327.197 3.419 20 30 EGEDRM C=CC[C@@H](NC(=O)c1cc(=O)n(-c2ccccc2)[n-]1)c1ccccc1 ZINC001147893865 1379098195 /nfs/dbraw/zinc/09/81/95/1379098195.db2.gz RVWXXEVSNCDPSV-QGZVFWFLSA-N -1 0 333.391 3.213 20 30 EGEDRM CC(C)(C)OC(=O)c1ccccc1C(=O)Nc1ccc(C#N)cc1O ZINC001148384854 1379160461 /nfs/dbraw/zinc/16/04/61/1379160461.db2.gz KVXMWGIAEVTMBP-UHFFFAOYSA-N -1 0 338.363 3.471 20 30 EGEDRM N=C(c1ccccc1N)N(O)C(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001148812255 1379273184 /nfs/dbraw/zinc/27/31/84/1379273184.db2.gz UIFCXYCXKAVILH-UHFFFAOYSA-N -1 0 340.166 3.138 20 30 EGEDRM N#Cc1ccc(NC(=O)c2cc3cccc(O)c3cc2[O-])c(C#N)c1 ZINC001149653796 1379421653 /nfs/dbraw/zinc/42/16/53/1379421653.db2.gz RGKOYQFGKUVUPT-UHFFFAOYSA-N -1 0 329.315 3.247 20 30 EGEDRM CC(C)(C#N)c1ccc(NC(=O)c2cc(=O)c3cccc(O)c3[n-]2)cn1 ZINC001152668988 1379966967 /nfs/dbraw/zinc/96/69/67/1379966967.db2.gz DQBUBRLKRXYHFN-UHFFFAOYSA-N -1 0 348.362 3.094 20 30 EGEDRM N#Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2c(=O)[nH][n-]c2-c2ccccc2)c1 ZINC001159366569 1381778613 /nfs/dbraw/zinc/77/86/13/1381778613.db2.gz PSCOJKBOLPTNKS-JKSUJKDBSA-N -1 0 344.374 3.396 20 30 EGEDRM Cc1ccc(C(=NO)Nc2cc(/C=N/[O-])cc(C(F)(F)F)c2)nc1 ZINC001169411861 1384145366 /nfs/dbraw/zinc/14/53/66/1384145366.db2.gz IGRNYALZFLLUFT-DNTJNYDQSA-N -1 0 338.289 3.465 20 30 EGEDRM N#Cc1c([O-])csc1Nc1ccc(CN2CCOCC2)cc1F ZINC001176489352 1385603363 /nfs/dbraw/zinc/60/33/63/1385603363.db2.gz YCPPGJKLKBOTCF-UHFFFAOYSA-N -1 0 333.388 3.040 20 30 EGEDRM C=CCn1cc(Nc2cccc3cc(S(=O)(=O)[O-])ccc32)cn1 ZINC001176548625 1385621447 /nfs/dbraw/zinc/62/14/47/1385621447.db2.gz LDIAMWWSCZORPR-UHFFFAOYSA-N -1 0 329.381 3.213 20 30 EGEDRM Cn1cc(-c2ccc(/C=C/c3nc(C(=O)[O-])ccc3C#N)cc2)cn1 ZINC001321071519 1386801066 /nfs/dbraw/zinc/80/10/66/1386801066.db2.gz CZCZZHIONUAOHM-XBXARRHUSA-N -1 0 330.347 3.222 20 30 EGEDRM N#Cc1cc(NC(=O)Cc2ccccc2OC(F)F)c([O-])cc1F ZINC001181077034 1386930705 /nfs/dbraw/zinc/93/07/05/1386930705.db2.gz HHIMDTYBUFTYMM-UHFFFAOYSA-N -1 0 336.269 3.186 20 30 EGEDRM C=CC[C@@H](NC(=O)NCCCc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC001322513607 1387198671 /nfs/dbraw/zinc/19/86/71/1387198671.db2.gz GXINOEPFUXZWKO-CYBMUJFWSA-N -1 0 345.226 3.255 20 30 EGEDRM C=CC[C@H](NC(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3)C(=O)[O-] ZINC001322600766 1387211770 /nfs/dbraw/zinc/21/17/70/1387211770.db2.gz IEBJFYAMGXWGPM-DIFFPNOSSA-N -1 0 326.396 3.052 20 30 EGEDRM C=CC[C@H](Cc1ccccc1)NC(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C ZINC001340585260 1390320571 /nfs/dbraw/zinc/32/05/71/1390320571.db2.gz LOIHHFORNDTTAA-BHYGNILZSA-N -1 0 330.428 3.069 20 30 EGEDRM C=C(C)Cn1c(-c2c[n-]n(CC)c2=O)nnc1N(CC)C1CCCC1 ZINC001342249412 1390591433 /nfs/dbraw/zinc/59/14/33/1390591433.db2.gz ZQZSFBCNXQEVDF-UHFFFAOYSA-N -1 0 344.463 3.212 20 30 EGEDRM Cc1cc(CCC(=O)C(C#N)=C([O-])c2c(C)[nH]c3ccccc32)no1 ZINC001342512171 1390620643 /nfs/dbraw/zinc/62/06/43/1390620643.db2.gz YYWNONQXKCWHCZ-OAHLLOKOSA-N -1 0 335.363 3.297 20 30 EGEDRM COC(=O)Nc1ccc(C([O-])=C(C#N)c2nc(C)cs2)c(C)c1 ZINC001343390873 1390710625 /nfs/dbraw/zinc/71/06/25/1390710625.db2.gz YDYCMTGACQLPEA-CYBMUJFWSA-N -1 0 329.381 3.428 20 30 EGEDRM COc1cc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)ccn1 ZINC001343441563 1390714309 /nfs/dbraw/zinc/71/43/09/1390714309.db2.gz GEFHLTKTKGICGC-LLVKDONJSA-N -1 0 327.340 3.329 20 30 EGEDRM CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2ccc(CC#N)cc2)c1C ZINC001343543296 1390721593 /nfs/dbraw/zinc/72/15/93/1390721593.db2.gz IGCYALAYPSPXOE-GFCCVEGCSA-N -1 0 332.429 3.029 20 30 EGEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1cc(C)nc(C)c1)c1ccccc1 ZINC001344580844 1390800833 /nfs/dbraw/zinc/80/08/33/1390800833.db2.gz URJKBVZJLDQAAT-QZTJIDSGSA-N -1 0 335.407 3.288 20 30 EGEDRM CC(C)n1ccc(C([O-])=C(C#N)c2nc3c(cccc3Cl)[nH]2)n1 ZINC001345672946 1390874822 /nfs/dbraw/zinc/87/48/22/1390874822.db2.gz FLMSCPRXRYCHII-JTQLQIEISA-N -1 0 327.775 3.484 20 30 EGEDRM C=C(C)Cn1c(-c2c[n-]n(CC)c2=O)nnc1N1C[C@H](C)C[C@@H]1CC ZINC001346670732 1390968518 /nfs/dbraw/zinc/96/85/18/1390968518.db2.gz NXXFZUJEPIZGSK-KGLIPLIRSA-N -1 0 344.463 3.068 20 30 EGEDRM C=C(C)CCC(=O)N(C)[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC001347564939 1391093381 /nfs/dbraw/zinc/09/33/81/1391093381.db2.gz WIVHNEONQMWTCK-CQSZACIVSA-N -1 0 340.217 3.390 20 30 EGEDRM CCCCCCCC[C@@H](C)CC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000825272250 1428865960 /nfs/dbraw/zinc/86/59/60/1428865960.db2.gz ZAMPQWZGUDJACI-CYBMUJFWSA-N -1 0 347.467 3.316 20 30 EGEDRM N#Cc1ccc(NC(=O)CCCC2CCCCC2)cc1-c1nn[n-]n1 ZINC000737715892 1429013048 /nfs/dbraw/zinc/01/30/48/1429013048.db2.gz HAFQHKHOTDGUPE-UHFFFAOYSA-N -1 0 338.415 3.427 20 30 EGEDRM CC(C)Oc1ccc(C#N)cc1NCc1cc(-c2nn[n-]n2)cs1 ZINC000824324376 1425357613 /nfs/dbraw/zinc/35/76/13/1425357613.db2.gz MZBDXFINFZNOBS-UHFFFAOYSA-N -1 0 340.412 3.199 20 30 EGEDRM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1cccc(OC(F)F)c1 ZINC000826402085 1425844759 /nfs/dbraw/zinc/84/47/59/1425844759.db2.gz MNNFNEXPDQQOBH-HJWRWDBZSA-N -1 0 342.305 3.364 20 30 EGEDRM C=CCC[C@H](OC(=O)CCc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000823894490 1425973279 /nfs/dbraw/zinc/97/32/79/1425973279.db2.gz RKJSROFCWKVXRO-INIZCTEOSA-N -1 0 326.400 3.087 20 30 EGEDRM CCCCCCCCCN(C)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736446502 1426105310 /nfs/dbraw/zinc/10/53/10/1426105310.db2.gz CKAZUGBYJQKHRO-UHFFFAOYSA-N -1 0 330.436 3.084 20 30 EGEDRM C=CCSCCNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000735437187 1426327386 /nfs/dbraw/zinc/32/73/86/1426327386.db2.gz ZJZGIJSUNNYHPD-UHFFFAOYSA-N -1 0 329.351 3.217 20 30 EGEDRM O=C(C=Cc1cncc2ccccc12)c1cccc(-c2nn[n-]n2)c1 ZINC000822934850 1426815349 /nfs/dbraw/zinc/81/53/49/1426815349.db2.gz DIFVJZRFEWLRBX-HJWRWDBZSA-N -1 0 327.347 3.311 20 30 EGEDRM C=CCN(Cc1ccccc1)Cc1ccc(-c2nn[n-]n2)cc1OC ZINC000823919753 1426846585 /nfs/dbraw/zinc/84/65/85/1426846585.db2.gz PEQQEEAGZFLPJL-UHFFFAOYSA-N -1 0 335.411 3.064 20 30 EGEDRM COc1ccc(C)cc1C(=O)C=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826190390 1441940884 /nfs/dbraw/zinc/94/08/84/1441940884.db2.gz ZQPQKEZVZXLHOV-ALCCZGGFSA-N -1 0 338.342 3.219 20 30 EGEDRM Fc1ccc(NCC#Cc2cccc(Cl)c2)cc1-c1nn[n-]n1 ZINC000822779535 1442253173 /nfs/dbraw/zinc/25/31/73/1442253173.db2.gz VXYDCLQYFOPISC-UHFFFAOYSA-N -1 0 327.750 3.123 20 30 EGEDRM CC(=NNc1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823962950 1443108505 /nfs/dbraw/zinc/10/85/05/1443108505.db2.gz TVMZFLSECXEWCH-UHFFFAOYSA-N -1 0 330.754 3.495 20 30 EGEDRM CCC(Cc1ccccc1)N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000825125508 1443554711 /nfs/dbraw/zinc/55/47/11/1443554711.db2.gz CUJRVFDKSZMCDB-UHFFFAOYSA-N -1 0 341.806 3.336 20 30 EGEDRM C=CCC(CC=C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000819734552 1443558064 /nfs/dbraw/zinc/55/80/64/1443558064.db2.gz QXJYEDRFIZLMNF-UHFFFAOYSA-N -1 0 349.341 3.175 20 30 EGEDRM C=C[C@@H](CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000823882667 1443982838 /nfs/dbraw/zinc/98/28/38/1443982838.db2.gz BJDXCSKFVGEJLU-ZDUSSCGKSA-N -1 0 344.378 3.037 20 30 EGEDRM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1cc(Cl)ccc1[O-] ZINC000822922802 1444005841 /nfs/dbraw/zinc/00/58/41/1444005841.db2.gz JXAHZOYZONCUTI-RQOWECAXSA-N -1 0 332.772 3.183 20 30 EGEDRM O=C(C=Cc1nccc2ccccc21)c1ccc(-c2nn[n-]n2)s1 ZINC000826402713 1444035470 /nfs/dbraw/zinc/03/54/70/1444035470.db2.gz AEXCEGFYYJWJDY-WAYWQWQTSA-N -1 0 333.376 3.373 20 30 EGEDRM COc1ccc(CSCc2ccccc2-c2nn[n-]n2)cc1C#N ZINC000826207844 1446236906 /nfs/dbraw/zinc/23/69/06/1446236906.db2.gz HIQICSLCUNYTJY-UHFFFAOYSA-N -1 0 337.408 3.180 20 30 EGEDRM CCOc1ccc(O)c(C=Nc2cc(-c3nn[n-]n3)ccc2Cl)c1 ZINC000821426232 1447078634 /nfs/dbraw/zinc/07/86/34/1447078634.db2.gz ALXCLIRCSDQHSI-UHFFFAOYSA-N -1 0 343.774 3.375 20 30 EGEDRM C#Cc1cccc(NC(=O)N[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c1 ZINC000797736861 939199484 /nfs/dbraw/zinc/19/94/84/939199484.db2.gz ICRNFPMLDBWZCA-HNNXBMFYSA-N -1 0 346.745 3.408 20 30 EGEDRM C=CCCCNC(=O)N[C@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000909123606 939383378 /nfs/dbraw/zinc/38/33/78/939383378.db2.gz XOPBUHPUAJYVOZ-LBPRGKRZSA-N -1 0 330.306 3.097 20 30 EGEDRM N#CCc1ccc(OCc2cccc(NC(=O)CCC(=O)[O-])c2)cc1 ZINC001601077307 970928110 /nfs/dbraw/zinc/92/81/10/970928110.db2.gz WKXCHOYXBSOGSE-UHFFFAOYSA-N -1 0 338.363 3.135 20 30 EGEDRM C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1ccccc1C(=O)[O-] ZINC001602722719 971388487 /nfs/dbraw/zinc/38/84/87/971388487.db2.gz JOXHQBGSFFQXAN-UHFFFAOYSA-N -1 0 349.390 3.154 20 30 EGEDRM C=CCOc1ccc(C(=O)N2CCCC[C@H]2CCC(=O)[O-])cc1OC ZINC000262158306 950075177 /nfs/dbraw/zinc/07/51/77/950075177.db2.gz CKFQVLSNECPNOV-HNNXBMFYSA-N -1 0 347.411 3.120 20 30 EGEDRM CC(C)(CCC(=O)[O-])NC(=O)C1(c2ccc(C#N)cc2)CCCC1 ZINC001602933579 971898916 /nfs/dbraw/zinc/89/89/16/971898916.db2.gz AWODCYJDDWVALS-UHFFFAOYSA-N -1 0 328.412 3.130 20 30 EGEDRM CC[C@H](C)[C@H](Nc1ccc(C#N)c(Br)c1F)C(=O)[O-] ZINC001593615097 953496401 /nfs/dbraw/zinc/49/64/01/953496401.db2.gz RCTHEPRPYKVCOZ-MADCSZMMSA-N -1 0 329.169 3.371 20 30 EGEDRM CN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001593759461 954470625 /nfs/dbraw/zinc/47/06/25/954470625.db2.gz VQLHYNFUZHKHJF-UHFFFAOYSA-N -1 0 337.379 3.239 20 30 EGEDRM Cc1cc(Br)cnc1N=NC1CCC(C(=O)[O-])CC1 ZINC000819828424 955452888 /nfs/dbraw/zinc/45/28/88/955452888.db2.gz CJZMCIDRYPSWKC-UHFFFAOYSA-N -1 0 326.194 3.195 20 30 EGEDRM C=C(C)CCNC(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000387504595 972126200 /nfs/dbraw/zinc/12/62/00/972126200.db2.gz XZYWOMNJUMQYGY-UHFFFAOYSA-N -1 0 327.178 3.235 20 30 EGEDRM N#Cc1cc(C(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)ccc1Cl ZINC001594613877 956226518 /nfs/dbraw/zinc/22/65/18/956226518.db2.gz GMTCIZSQJRBRAG-AWEZNQCLSA-N -1 0 340.766 3.430 20 30 EGEDRM N#Cc1ccc(-c2nnc(CNc3cccc(CCC(=O)[O-])c3)o2)cc1 ZINC001594617335 956248617 /nfs/dbraw/zinc/24/86/17/956248617.db2.gz GYIQKPZWHKBOQT-UHFFFAOYSA-N -1 0 348.362 3.238 20 30 EGEDRM N#Cc1ccc(C2(C(=O)Nc3cccc(CCC(=O)[O-])c3)CC2)cc1 ZINC001594618740 956267197 /nfs/dbraw/zinc/26/71/97/956267197.db2.gz YWGDAALBXPZDMO-UHFFFAOYSA-N -1 0 334.375 3.246 20 30 EGEDRM N#Cc1ccc(C2(NC(=O)Nc3cccc(C(=O)[O-])c3)CCC2)cc1 ZINC001594618717 956267226 /nfs/dbraw/zinc/26/72/26/956267226.db2.gz YBADYUISQYHBAB-UHFFFAOYSA-N -1 0 335.363 3.457 20 30 EGEDRM N#Cc1ccccc1N(C(=O)c1coc(/C=C\C(=O)[O-])c1)C1CCC1 ZINC001594632425 956353195 /nfs/dbraw/zinc/35/31/95/956353195.db2.gz YNOOLBRQVVAOFM-HJWRWDBZSA-N -1 0 336.347 3.448 20 30 EGEDRM C[C@]1(C(=O)[O-])CCCN1C(=O)c1cn(CCCC#N)c2ccccc12 ZINC001589188892 956585191 /nfs/dbraw/zinc/58/51/91/956585191.db2.gz LERZSUHCOJYSBX-LJQANCHMSA-N -1 0 339.395 3.024 20 30 EGEDRM C#C[C@@H](NC(=O)Nc1cncc(C(=O)[O-])c1)c1ccc(Cl)cc1F ZINC001588373324 957966400 /nfs/dbraw/zinc/96/64/00/957966400.db2.gz DCPHVEOCKDGHCL-CQSZACIVSA-N -1 0 347.733 3.068 20 30 EGEDRM C=CCC[C@H]1CCCN1C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001341380078 957989552 /nfs/dbraw/zinc/98/95/52/957989552.db2.gz FLTYJABQIGTSTC-QFBILLFUSA-N -1 0 330.428 3.169 20 30 EGEDRM C#C[C@@H](NC(=O)[C@H](C(=O)[O-])C1CCCC1)c1ccc(Cl)cc1F ZINC001588388060 957992154 /nfs/dbraw/zinc/99/21/54/957992154.db2.gz PCBAQGUOEXKGRG-HUUCEWRRSA-N -1 0 337.778 3.161 20 30 EGEDRM C#CCCCCC(=O)Nc1sc(C(=O)OCC)c(C)c1C(=O)[O-] ZINC001588390995 958018382 /nfs/dbraw/zinc/01/83/82/958018382.db2.gz YRWXNSFTDYJXTR-UHFFFAOYSA-N -1 0 337.397 3.064 20 30 EGEDRM Cc1cc(NC(=O)C(=O)/C=C/c2ccc(F)cc2)ccc1C(=O)[O-] ZINC001594313276 958048122 /nfs/dbraw/zinc/04/81/22/958048122.db2.gz DIYICQYJFFPAEZ-RUDMXATFSA-N -1 0 327.311 3.053 20 30 EGEDRM Cc1cc(NC(=O)C(=O)/C=C\c2ccc(F)cc2)ccc1C(=O)[O-] ZINC001594313277 958048212 /nfs/dbraw/zinc/04/82/12/958048212.db2.gz DIYICQYJFFPAEZ-WTKPLQERSA-N -1 0 327.311 3.053 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)N[C@H](CC1CCCC1)c1ccccc1 ZINC001588409090 958123299 /nfs/dbraw/zinc/12/32/99/958123299.db2.gz BOMHNUJIIOHUHO-QGZVFWFLSA-N -1 0 328.412 3.037 20 30 EGEDRM Cc1ccc(C(=O)/C=C/C(=O)Nc2cccc(CCC(=O)[O-])c2)cc1 ZINC001594342907 958311727 /nfs/dbraw/zinc/31/17/27/958311727.db2.gz DININAUSCOUIGB-ZHACJKMWSA-N -1 0 337.375 3.390 20 30 EGEDRM COc1ccc(/C=C\C(=O)c2ccc(OCC(=O)[O-])cc2)cc1OC ZINC000096792497 958340765 /nfs/dbraw/zinc/34/07/65/958340765.db2.gz VAFJMQJNQNUXGV-OQFOIZHKSA-N -1 0 342.347 3.063 20 30 EGEDRM C=CCCCCCCNC(=O)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC000391478641 972340529 /nfs/dbraw/zinc/34/05/29/972340529.db2.gz XWIQEPPPYYGGHN-CQSZACIVSA-N -1 0 336.354 3.172 20 30 EGEDRM C=CC[C@H](Cc1ccccc1)NC(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001588453066 958431884 /nfs/dbraw/zinc/43/18/84/958431884.db2.gz MZAXTBBMJIDLCO-OAHLLOKOSA-N -1 0 325.368 3.089 20 30 EGEDRM C#Cc1ccc([C@@H](OC(=O)CCCCC(=O)[O-])C(F)(F)F)cc1 ZINC001573327022 958482325 /nfs/dbraw/zinc/48/23/25/958482325.db2.gz AHXNRHXOWDLIAJ-OAHLLOKOSA-N -1 0 328.286 3.460 20 30 EGEDRM C#CCSc1ccc(COC(=O)[C@@H](C(=O)[O-])C2CCCC2)cc1 ZINC001573327378 958488523 /nfs/dbraw/zinc/48/85/23/958488523.db2.gz MRZQOFGUZIPRAE-MRXNPFEDSA-N -1 0 332.421 3.346 20 30 EGEDRM C#CCSCC(=O)Nc1scc(-c2ccsc2)c1C(=O)[O-] ZINC001573327703 958490859 /nfs/dbraw/zinc/49/08/59/958490859.db2.gz UJYZHEXCWJBWKC-UHFFFAOYSA-N -1 0 337.447 3.480 20 30 EGEDRM C=CCOc1ccc(CC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1 ZINC001588466410 958511368 /nfs/dbraw/zinc/51/13/68/958511368.db2.gz OLWZRYJGIHFSBC-XOKHGSTOSA-N -1 0 345.439 3.046 20 30 EGEDRM C=CCn1c(S[C@H](CC(C)C)C(=O)[O-])nnc1-c1ccccn1 ZINC001588472027 958538403 /nfs/dbraw/zinc/53/84/03/958538403.db2.gz IGCWITVKQCJYFT-CYBMUJFWSA-N -1 0 332.429 3.118 20 30 EGEDRM C=CCn1cc2ccc(NC(=O)C3(C(=O)[O-])CCCCC3)cc2n1 ZINC001588474379 958557190 /nfs/dbraw/zinc/55/71/90/958557190.db2.gz IMRBHYRUKJKKKN-UHFFFAOYSA-N -1 0 327.384 3.196 20 30 EGEDRM C=CCn1ncc2ccc(NC(=O)/C=C\c3ccc(C(=O)[O-])o3)cc21 ZINC001588474729 958558538 /nfs/dbraw/zinc/55/85/38/958558538.db2.gz NUAHPUPLYVWKRS-VURMDHGXSA-N -1 0 337.335 3.165 20 30 EGEDRM C[C@](C#N)(CCc1ccccc1)NC(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001573364915 958617426 /nfs/dbraw/zinc/61/74/26/958617426.db2.gz RJMUELJRQFORDX-IHHMQQGQSA-N -1 0 338.363 3.022 20 30 EGEDRM C[C@@H](C(=O)[O-])N(C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1)C1CC1 ZINC001573373057 958642923 /nfs/dbraw/zinc/64/29/23/958642923.db2.gz ASJSQHOLIPWJFU-NSHDSACASA-N -1 0 345.399 3.205 20 30 EGEDRM C=CCOc1ccc(CC(=O)Nc2ccccc2CC(=O)[O-])cc1 ZINC001573378793 958659033 /nfs/dbraw/zinc/65/90/33/958659033.db2.gz UCBXWWAJJOVMMV-UHFFFAOYSA-N -1 0 325.364 3.060 20 30 EGEDRM CC(C)(C)CC[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)C(=O)[O-] ZINC001573394601 958711413 /nfs/dbraw/zinc/71/14/13/958711413.db2.gz FIFIABJXDTULSB-ARFHVFGLSA-N -1 0 328.412 3.057 20 30 EGEDRM CC(C)[C@@H](C(=O)[O-])C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC001573489769 959005618 /nfs/dbraw/zinc/00/56/18/959005618.db2.gz OPSADFONZGZPEK-MRXNPFEDSA-N -1 0 342.420 3.260 20 30 EGEDRM Cc1c2cc(C#N)ccc2sc1C(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-] ZINC001574296857 960698438 /nfs/dbraw/zinc/69/84/38/960698438.db2.gz SDGOZLURZFXRSX-NOZJJQNGSA-N -1 0 328.393 3.159 20 30 EGEDRM CO[C@H](C)CC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000237181839 960884480 /nfs/dbraw/zinc/88/44/80/960884480.db2.gz SNWIXMIHUOAKAS-CQSZACIVSA-N -1 0 337.375 3.148 20 30 EGEDRM CC(C)(C)c1ccc([C@H](C#N)NC(=O)C2(CC(=O)[O-])CCC2)cc1 ZINC001588739343 961148014 /nfs/dbraw/zinc/14/80/14/961148014.db2.gz BPGRQDBHEPTMNF-HNNXBMFYSA-N -1 0 328.412 3.310 20 30 EGEDRM O=C([O-])COc1ccc(C=NNc2nc3ccccc3s2)cc1 ZINC000254500119 961319573 /nfs/dbraw/zinc/31/95/73/961319573.db2.gz RRRPRDMABXXUEM-UHFFFAOYSA-N -1 0 327.365 3.206 20 30 EGEDRM N#Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2cccc(CCC(=O)[O-])c2)c1 ZINC001574489857 961708843 /nfs/dbraw/zinc/70/88/43/961708843.db2.gz RFOIBYRXBHPCFO-ZWKOTPCHSA-N -1 0 334.375 3.318 20 30 EGEDRM C=CCOC[C@@H](NC(=O)C[C@@H](C)c1ccc(C(C)C)cc1)C(=O)[O-] ZINC000263113181 962265934 /nfs/dbraw/zinc/26/59/34/962265934.db2.gz UVEQFDMOKQLRTB-RHSMWYFYSA-N -1 0 333.428 3.076 20 30 EGEDRM C#CCOCCC(=O)Nc1cc(-c2ccccc2)sc1C(=O)[O-] ZINC001573311184 962694907 /nfs/dbraw/zinc/69/49/07/962694907.db2.gz JBPYMJSELIRQNL-UHFFFAOYSA-N -1 0 329.377 3.092 20 30 EGEDRM C#CCSc1ccc(COC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC001573311845 962713523 /nfs/dbraw/zinc/71/35/23/962713523.db2.gz ICKBQIGYTFLKKV-HUUCEWRRSA-N -1 0 332.421 3.346 20 30 EGEDRM C=C(C)C[C@H](NC(=O)c1csc(-c2ccccc2F)n1)C(=O)[O-] ZINC001573324194 962782188 /nfs/dbraw/zinc/78/21/88/962782188.db2.gz OLAVSNRRUDNGAH-LBPRGKRZSA-N -1 0 334.372 3.098 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1cccc(Cn2ccnc2C(C)C)c1 ZINC001573338122 962871733 /nfs/dbraw/zinc/87/17/33/962871733.db2.gz YALUWSNUSZLDAC-UHFFFAOYSA-N -1 0 341.411 3.414 20 30 EGEDRM C=C[C@H](C(=O)N1CCOc2ccccc2[C@@H]1C(=O)[O-])c1ccccc1 ZINC001573345215 962928754 /nfs/dbraw/zinc/92/87/54/962928754.db2.gz LIBFOXOMRUGXMW-MAUKXSAKSA-N -1 0 337.375 3.003 20 30 EGEDRM C=CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001573350043 962962872 /nfs/dbraw/zinc/96/28/72/962962872.db2.gz AEWXUUKJPDMQFE-HLIPFELVSA-N -1 0 342.439 3.213 20 30 EGEDRM C=CCN(C)c1nnc(CC(C)C)n1Cc1cccc(NC(=O)[O-])c1 ZINC001573360661 963040833 /nfs/dbraw/zinc/04/08/33/963040833.db2.gz ULQAOFIREIKSIQ-UHFFFAOYSA-N -1 0 343.431 3.237 20 30 EGEDRM C=C[C@@H](Nc1ccc(OC(F)(F)F)c(Br)c1)C(=O)[O-] ZINC000305990449 963172067 /nfs/dbraw/zinc/17/20/67/963172067.db2.gz JELXTSXVDKCMBO-MRVPVSSYSA-N -1 0 340.095 3.399 20 30 EGEDRM CC(C)CN(CC(=O)[O-])c1cc(Br)c(C#N)cc1F ZINC000311470658 963481398 /nfs/dbraw/zinc/48/13/98/963481398.db2.gz IOUTUQQCXFRZIC-UHFFFAOYSA-N -1 0 329.169 3.007 20 30 EGEDRM CC(C)(CCNc1ccc(C#N)c(Br)c1F)C(=O)[O-] ZINC000311629045 963498509 /nfs/dbraw/zinc/49/85/09/963498509.db2.gz VCFUXTAQSSUSHD-UHFFFAOYSA-N -1 0 329.169 3.373 20 30 EGEDRM C=CC[C@H](NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)c1ccncc1 ZINC000851648905 969274736 /nfs/dbraw/zinc/27/47/36/969274736.db2.gz DIGLUYIYALJYPP-HOCLYGCPSA-N -1 0 333.432 3.135 20 30 EGEDRM C=CCCCCCCNS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000320500535 970671010 /nfs/dbraw/zinc/67/10/10/970671010.db2.gz JOPMARLJGOYMEX-UHFFFAOYSA-N -1 0 345.848 3.453 20 30 EGEDRM Cc1cc(C#N)cc(C)c1CC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-] ZINC001605102106 972757048 /nfs/dbraw/zinc/75/70/48/972757048.db2.gz NKAFYJIIRQROOP-INIZCTEOSA-N -1 0 330.428 3.113 20 30 EGEDRM N#Cc1ccc(N2CCC3(C[C@H]3C(=O)[O-])CC2)cc1Br ZINC000405370137 973853487 /nfs/dbraw/zinc/85/34/87/973853487.db2.gz OSBOXVSETVNYLE-LBPRGKRZSA-N -1 0 335.201 3.012 20 30 EGEDRM N#CC[C@H](C(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21)c1ccccc1 ZINC001605582253 973865448 /nfs/dbraw/zinc/86/54/48/973865448.db2.gz WYVFFJKAPRCMKS-WBAXXEDZSA-N -1 0 334.375 3.113 20 30 EGEDRM N#Cc1ccc(Cl)c(C(=O)Nc2cccc(CCC(=O)[O-])c2)c1 ZINC001605611305 973917885 /nfs/dbraw/zinc/91/78/85/973917885.db2.gz QTTLSJRUICXCEB-UHFFFAOYSA-N -1 0 328.755 3.481 20 30 EGEDRM N#Cc1cccc(CC(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)c1 ZINC001605617670 973936229 /nfs/dbraw/zinc/93/62/29/973936229.db2.gz UYAZTVSKDHGVIN-UHFFFAOYSA-N -1 0 348.402 3.205 20 30 EGEDRM CC(C)c1cccc2c1NC(=O)C2=NNc1ccc(CC(=O)[O-])cc1 ZINC001591994184 976628756 /nfs/dbraw/zinc/62/87/56/976628756.db2.gz IGUZJZCMBQFHPM-UHFFFAOYSA-N -1 0 337.379 3.205 20 30 EGEDRM CC(C)c1sc(NC(=O)[C@]2(C#N)CC23CCCC3)nc1C(=O)[O-] ZINC001592108925 976898226 /nfs/dbraw/zinc/89/82/26/976898226.db2.gz ZJOZGLZVPHNSGZ-MRXNPFEDSA-N -1 0 333.413 3.377 20 30 EGEDRM C[C@H](CC#Cc1cccnc1)OC(=O)[C@@]1(C(=O)[O-])C[C@H]1c1ccccc1 ZINC001592211149 977258812 /nfs/dbraw/zinc/25/88/12/977258812.db2.gz JCTYJOSYNUZEOE-YWMUFLPLSA-N -1 0 349.386 3.013 20 30 EGEDRM C[C@](CC(=O)[O-])(NCC#Cc1ccccc1Cl)c1ccccn1 ZINC001592321574 977722397 /nfs/dbraw/zinc/72/23/97/977722397.db2.gz MTYLGLQENTVAOS-GOSISDBHSA-N -1 0 328.799 3.066 20 30 EGEDRM O=C([O-])COc1ccc(C=NNc2cccc(Br)c2)cc1 ZINC000745988240 978680514 /nfs/dbraw/zinc/68/05/14/978680514.db2.gz RKNKONDXOBEWBK-UHFFFAOYSA-N -1 0 349.184 3.359 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1NN=Cc1cnc(-c2ccccc2)nc1 ZINC000756901745 978701729 /nfs/dbraw/zinc/70/17/29/978701729.db2.gz ZKABTHZCUHWWDU-UHFFFAOYSA-N -1 0 348.362 3.296 20 30 EGEDRM Cc1ccc(CN=Nc2ccc(C(=O)[O-])cn2)c(Br)c1 ZINC000763368571 978721382 /nfs/dbraw/zinc/72/13/82/978721382.db2.gz PQWBGCVNUFHHNH-UHFFFAOYSA-N -1 0 334.173 3.297 20 30 EGEDRM O=C([O-])c1ccc(N=NCc2ccccc2OCc2cccnc2)nc1 ZINC000763370194 978722007 /nfs/dbraw/zinc/72/20/07/978722007.db2.gz NEJWEZOMKHOCEW-UHFFFAOYSA-N -1 0 348.362 3.200 20 30 EGEDRM COc1cc(CN=Nc2ccc(C(=O)[O-])cn2)ccc1OC(C)C ZINC000763371652 978722792 /nfs/dbraw/zinc/72/27/92/978722792.db2.gz GNSFLHRIUNCPGM-UHFFFAOYSA-N -1 0 329.356 3.022 20 30 EGEDRM N#CCc1ccc(C(=O)N[C@H](CC(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000776673154 978768820 /nfs/dbraw/zinc/76/88/20/978768820.db2.gz MTFYXIMFGLOLOR-MRXNPFEDSA-N -1 0 342.782 3.352 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1NN=C(C)c1ccc(F)cc1[N+](=O)[O-] ZINC000783864661 978794078 /nfs/dbraw/zinc/79/40/78/978794078.db2.gz XXFNXRIJSLEWMH-UHFFFAOYSA-N -1 0 347.302 3.277 20 30 EGEDRM O=C([O-])Cn1cc(C=NNc2nc3ccccc3[nH]2)c2ccccc21 ZINC000799868329 978842853 /nfs/dbraw/zinc/84/28/53/978842853.db2.gz VRSJNBAJSZDTRG-UHFFFAOYSA-N -1 0 333.351 3.048 20 30 EGEDRM Cc1ccc(C)c(NC(=S)NN=C2CC[C@H](CC(=O)[O-])[C@H]2C)c1 ZINC000814707739 978875359 /nfs/dbraw/zinc/87/53/59/978875359.db2.gz VEAMUGCVFFLPHS-CHWSQXEVSA-N -1 0 333.457 3.467 20 30 EGEDRM C[C@@H](CCc1ccc2c(c1)OCO2)NN=Cc1cccc(C(=O)[O-])c1 ZINC000814924623 978898657 /nfs/dbraw/zinc/89/86/57/978898657.db2.gz VELJSUSSERMKCF-ZDUSSCGKSA-N -1 0 340.379 3.058 20 30 EGEDRM Cc1cc(Br)cnc1N=NC1CC[C@@H](CC(=O)[O-])[C@@H]1C ZINC000819828717 978925040 /nfs/dbraw/zinc/92/50/40/978925040.db2.gz NNVHECNUEJVIEB-UWVGGRQHSA-N -1 0 340.221 3.441 20 30 EGEDRM CC[C@H](CC(F)(F)F)C(=O)OCC#Cc1cccc(C(=O)[O-])c1 ZINC001595040111 979220253 /nfs/dbraw/zinc/22/02/53/979220253.db2.gz ZCWIPWYAFDKCNC-GFCCVEGCSA-N -1 0 328.286 3.258 20 30 EGEDRM CCCCCCCCc1nnc(NC(=O)C2(C(=O)[O-])CC2)s1 ZINC000844246751 979391570 /nfs/dbraw/zinc/39/15/70/979391570.db2.gz QZOLDOCVDDISQG-UHFFFAOYSA-N -1 0 325.434 3.244 20 30 EGEDRM O=C([O-])Cc1ccc([N-][NH+]=Cc2ccc(N3CCCCC3)o2)cc1 ZINC000848415251 979468317 /nfs/dbraw/zinc/46/83/17/979468317.db2.gz KOZQXFVBQMBCEL-UHFFFAOYSA-N -1 0 327.384 3.343 20 30 EGEDRM C[C@H](Cc1ccc(NC(=O)N2CCC[C@@H](CC#N)C2)cc1)C(=O)[O-] ZINC001592861236 979696836 /nfs/dbraw/zinc/69/68/36/979696836.db2.gz QIRUELFDXXBGKS-HIFRSBDPSA-N -1 0 329.400 3.107 20 30 EGEDRM CC[C@](CNc1c(C#N)nnc2ccccc21)(C(=O)[O-])c1ccccc1 ZINC001595172797 979745985 /nfs/dbraw/zinc/74/59/85/979745985.db2.gz PHNPMJXBNUFMSI-HXUWFJFHSA-N -1 0 346.390 3.346 20 30 EGEDRM C=CC(C)(C)CC(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000909135843 981425401 /nfs/dbraw/zinc/42/54/01/981425401.db2.gz DWYYHUXSCOWICZ-UHFFFAOYSA-N -1 0 326.396 3.353 20 30 EGEDRM C#CCC1(C(=O)NC[C@H](C(=O)[O-])c2ccc(C)cc2)CCCCC1 ZINC000909250718 981445107 /nfs/dbraw/zinc/44/51/07/981445107.db2.gz SSAZADRHUCCSDP-KRWDZBQOSA-N -1 0 327.424 3.253 20 30 EGEDRM C=CCCC[C@H](C(=O)N[C@H](CC(F)F)C(=O)[O-])c1ccccc1 ZINC000909774380 981615008 /nfs/dbraw/zinc/61/50/08/981615008.db2.gz JBIHSWBZBFDDJU-UONOGXRCSA-N -1 0 325.355 3.351 20 30 EGEDRM CC[C@H](C(=O)[O-])N(C(=O)c1cc(C#N)ccc1F)c1ccccc1 ZINC001594768251 981728749 /nfs/dbraw/zinc/72/87/49/981728749.db2.gz SHSGOWRJSLQDTL-MRXNPFEDSA-N -1 0 326.327 3.207 20 30 EGEDRM CC[C@@H](C(=O)OCc1cccc(C(=O)[O-])c1C#N)c1c(C)noc1C ZINC001594774802 981754823 /nfs/dbraw/zinc/75/48/23/981754823.db2.gz IBQVAZPKAHUISU-CYBMUJFWSA-N -1 0 342.351 3.098 20 30 EGEDRM CCCC[C@H](ON=C(C)C)C(=O)Nc1c(C)ccc(C(=O)[O-])c1O ZINC001595652546 982035370 /nfs/dbraw/zinc/03/53/70/982035370.db2.gz VJGMJFBPQGSVBF-ZDUSSCGKSA-N -1 0 336.388 3.309 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1ccc(Br)s1)C(=O)[O-] ZINC000910916578 982163211 /nfs/dbraw/zinc/16/32/11/982163211.db2.gz YQOXIWKGSMTFFL-QMMMGPOBSA-N -1 0 332.219 3.050 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1c(C)nn(-c2ccccc2)c1C)C(=O)[O-] ZINC000910919250 982164438 /nfs/dbraw/zinc/16/44/38/982164438.db2.gz VOCAKYRRXMTRNE-MRXNPFEDSA-N -1 0 341.411 3.028 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1cn(CC(C)C)nc1C(F)F)C(=O)[O-] ZINC000910926470 982167333 /nfs/dbraw/zinc/16/73/33/982167333.db2.gz TZLXBSOOMKRDHY-GFCCVEGCSA-N -1 0 343.374 3.016 20 30 EGEDRM C[C@@H](Cc1ccc(NC(=O)[C@@]2(C#N)CC23CCCC3)cc1)C(=O)[O-] ZINC000923075905 982708213 /nfs/dbraw/zinc/70/82/13/982708213.db2.gz MDROUOWCYPBLRT-DJJJIMSYSA-N -1 0 326.396 3.362 20 30 EGEDRM C#C[C@H](NC(=O)C1(C(=O)[O-])CC2(CCC2)C1)c1ccc(Cl)cc1 ZINC001588372659 983332942 /nfs/dbraw/zinc/33/29/42/983332942.db2.gz QEMDAGPAWLHNNM-AWEZNQCLSA-N -1 0 331.799 3.166 20 30 EGEDRM C#C[C@H](N[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1)C1CCOCC1 ZINC001588378156 983361885 /nfs/dbraw/zinc/36/18/85/983361885.db2.gz VSFXHAJWLNLXNB-GJZGRUSLSA-N -1 0 342.222 3.137 20 30 EGEDRM C#CC[C@H](NC(=O)c1cc(Cl)ccc1SCCCC)C(=O)[O-] ZINC001588413703 983431885 /nfs/dbraw/zinc/43/18/85/983431885.db2.gz GPVHEPITTYRLOJ-ZDUSSCGKSA-N -1 0 339.844 3.439 20 30 EGEDRM C#CCCOc1ccc(C(=O)Nc2nc(CC)c(C(=O)[O-])s2)cc1 ZINC001588458340 983483156 /nfs/dbraw/zinc/48/31/56/983483156.db2.gz NFKAZQYMJOTKBF-UHFFFAOYSA-N -1 0 344.392 3.058 20 30 EGEDRM C#CCN(Cc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])c(OC)c1 ZINC001588469288 983501372 /nfs/dbraw/zinc/50/13/72/983501372.db2.gz BOJZHSLWBOAGBM-UHFFFAOYSA-N -1 0 338.363 3.061 20 30 EGEDRM C#CCN1C(=O)c2ccccc2N[C@]12CCC[C@H](CCCC(=O)[O-])C2 ZINC001588471443 983505997 /nfs/dbraw/zinc/50/59/97/983505997.db2.gz OBPJKMZEXULFJR-MGPUTAFESA-N -1 0 340.423 3.329 20 30 EGEDRM C=C(C)C(C)(C)C(=O)N1CCN(c2ccc(C(=O)[O-])cc2)C[C@H]1C ZINC001588529833 983582416 /nfs/dbraw/zinc/58/24/16/983582416.db2.gz HTLVBIXBNKEDJT-CQSZACIVSA-N -1 0 330.428 3.024 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)/C=C\Sc1cc(F)ccc1F)C(=O)[O-] ZINC001588541052 983606373 /nfs/dbraw/zinc/60/63/73/983606373.db2.gz RISWNXBVMQUOOI-FOQNGQEVSA-N -1 0 327.352 3.106 20 30 EGEDRM C=C(C)CCn1c(Br)nc(C(=O)[O-])c1Br ZINC001588561509 983642022 /nfs/dbraw/zinc/64/20/22/983642022.db2.gz HHCXFMLZVBYQLL-UHFFFAOYSA-N -1 0 337.999 3.073 20 30 EGEDRM C=C(C)CN(Cc1ccc(CO)o1)Cc1cc(C(=O)[O-])oc1CC ZINC001588567850 983648025 /nfs/dbraw/zinc/64/80/25/983648025.db2.gz UIIXQFNWFRZWGT-UHFFFAOYSA-N -1 0 333.384 3.204 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N1CCCC[C@H]1c1nc2ccccc2o1 ZINC001588614926 983709081 /nfs/dbraw/zinc/70/90/81/983709081.db2.gz DYNKSQLPMOYDMP-AWEZNQCLSA-N -1 0 328.368 3.302 20 30 EGEDRM C=C1CCC(C(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)CC1 ZINC001588644184 983768720 /nfs/dbraw/zinc/76/87/20/983768720.db2.gz GGMKMXDTRQUANT-CQSZACIVSA-N -1 0 325.767 3.467 20 30 EGEDRM C=C1CCC(CNC(=O)N2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)CC1 ZINC001588650018 983771607 /nfs/dbraw/zinc/77/16/07/983771607.db2.gz SMJSZZGTOSODMY-QZTJIDSGSA-N -1 0 342.439 3.243 20 30 EGEDRM C=C[C@H](C(=O)[O-])N1CC[C@@H](CNC(=O)OC(C)(C)C)c2ccccc21 ZINC001588662675 983790770 /nfs/dbraw/zinc/79/07/70/983790770.db2.gz FHZXUMMTAZHPIA-DZGCQCFKSA-N -1 0 346.427 3.144 20 30 EGEDRM C=CC(C)(C)CNC(=O)N[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001588677152 983833727 /nfs/dbraw/zinc/83/37/27/983833727.db2.gz UKJWPCBNNSPMQS-GFCCVEGCSA-N -1 0 344.333 3.500 20 30 EGEDRM C=C[C@@](C)(CC)C(=O)N[C@@H](CC(=O)[O-])Cc1cc(F)c(F)cc1F ZINC001588681282 983839085 /nfs/dbraw/zinc/83/90/85/983839085.db2.gz VFIPFQKNOORVDG-DIFFPNOSSA-N -1 0 343.345 3.208 20 30 EGEDRM C=C[C@@](C)(CCOC)C(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1 ZINC001588683188 983848091 /nfs/dbraw/zinc/84/80/91/983848091.db2.gz VNLCCDWJMNQZTA-INIZCTEOSA-N -1 0 340.445 3.306 20 30 EGEDRM C=C[C@H](CC(=O)N1CCCc2nc(C(=O)[O-])ccc21)c1ccccc1 ZINC001588690574 983875341 /nfs/dbraw/zinc/87/53/41/983875341.db2.gz CMUDPEBJKURIGE-CQSZACIVSA-N -1 0 336.391 3.419 20 30 EGEDRM C=C[C@@H](CC(=O)Nc1cc(C(=O)[O-])cc(OC)c1O)c1ccccc1 ZINC001588690692 983876135 /nfs/dbraw/zinc/87/61/35/983876135.db2.gz IILGDJIWMWAUJE-LBPRGKRZSA-N -1 0 341.363 3.397 20 30 EGEDRM C=C[C@H](Sc1nnc(NCc2ccc(F)cc2)s1)C(=O)[O-] ZINC001588714162 983950111 /nfs/dbraw/zinc/95/01/11/983950111.db2.gz AGKZSACQLQMREW-JTQLQIEISA-N -1 0 325.390 3.021 20 30 EGEDRM C=C[C@H](Sc1nccn1-c1ccc(Br)cc1)C(=O)[O-] ZINC001588715335 983955282 /nfs/dbraw/zinc/95/52/82/983955282.db2.gz WEDSDLYOOJWCER-NSHDSACASA-N -1 0 339.214 3.366 20 30 EGEDRM C=CCC(C)(C)Cn1c(C2CCC2)nnc1N1CCC(C(=O)[O-])CC1 ZINC001588736299 984023961 /nfs/dbraw/zinc/02/39/61/984023961.db2.gz GWXRHRZRNSIRNI-UHFFFAOYSA-N -1 0 346.475 3.449 20 30 EGEDRM C=CCC1(C(=O)OCc2cc(C(=O)[O-])ccc2Cl)CCOCC1 ZINC001588766983 984126955 /nfs/dbraw/zinc/12/69/55/984126955.db2.gz CEVFLFKFQBCSON-UHFFFAOYSA-N -1 0 338.787 3.454 20 30 EGEDRM C=CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC001588770642 984135165 /nfs/dbraw/zinc/13/51/65/984135165.db2.gz BSVMGFCGRVICHA-CJNGLKHVSA-N -1 0 337.441 3.106 20 30 EGEDRM C=CCCC[C@H](NC(=O)[C@@H](C)Oc1ccccc1Cl)C(=O)[O-] ZINC001588786154 984182864 /nfs/dbraw/zinc/18/28/64/984182864.db2.gz MZQNDGXVDHZBQB-YPMHNXCESA-N -1 0 325.792 3.033 20 30 EGEDRM C=CCCC[C@H](NC(=O)[C@H](C)Oc1ccccc1Cl)C(=O)[O-] ZINC001588786149 984182963 /nfs/dbraw/zinc/18/29/63/984182963.db2.gz MZQNDGXVDHZBQB-AAEUAGOBSA-N -1 0 325.792 3.033 20 30 EGEDRM C=CCCC[C@@H](NC(=O)C(C)(C)Cc1ccccc1OC)C(=O)[O-] ZINC001588787790 984188609 /nfs/dbraw/zinc/18/86/09/984188609.db2.gz YDUKBJJRYGMLKD-OAHLLOKOSA-N -1 0 333.428 3.190 20 30 EGEDRM C=CCCC[C@@H](NC(=O)CCCc1ccc(F)c(F)c1)C(=O)[O-] ZINC001588788432 984189470 /nfs/dbraw/zinc/18/94/70/984189470.db2.gz BWSCPGYZIWDKRN-OAHLLOKOSA-N -1 0 325.355 3.213 20 30 EGEDRM C=CCCC[C@@H](NC(=O)CCc1ccc(Cl)c(F)c1)C(=O)[O-] ZINC001588788600 984191539 /nfs/dbraw/zinc/19/15/39/984191539.db2.gz IEFUVGITXHWHIY-CQSZACIVSA-N -1 0 327.783 3.337 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1ccc(Cl)cc1OCC)C(=O)[O-] ZINC001588792653 984211165 /nfs/dbraw/zinc/21/11/65/984211165.db2.gz KXDFCTIDGXOPKJ-ZDUSSCGKSA-N -1 0 325.792 3.278 20 30 EGEDRM C=CCCOCCCCC(=O)N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001588810415 984266892 /nfs/dbraw/zinc/26/68/92/984266892.db2.gz PFEHCNGSVHJGQA-UHFFFAOYSA-N -1 0 331.412 3.033 20 30 EGEDRM C=CCCSCCNC(=O)Nc1cc(C(=O)[O-])cc2cccnc21 ZINC001588814800 984273549 /nfs/dbraw/zinc/27/35/49/984273549.db2.gz REZJYEYBBCDTIK-UHFFFAOYSA-N -1 0 345.424 3.364 20 30 EGEDRM C=CCN(CCC#N)C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC001588826526 984304239 /nfs/dbraw/zinc/30/42/39/984304239.db2.gz IEBZMCWSFJSITM-UHFFFAOYSA-N -1 0 347.440 3.328 20 30 EGEDRM C=CCN(CCc1ccco1)C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001588829192 984312613 /nfs/dbraw/zinc/31/26/13/984312613.db2.gz HYKPQGCPUAJHOQ-UHFFFAOYSA-N -1 0 346.358 3.308 20 30 EGEDRM C=CCN(Cc1ccccc1F)C(=O)C1(C(=O)[O-])CC2(CCC2)C1 ZINC001588831596 984314935 /nfs/dbraw/zinc/31/49/35/984314935.db2.gz CNMXORUVCGCNHU-UHFFFAOYSA-N -1 0 331.387 3.375 20 30 EGEDRM C=CCN(Cc1ccccc1)C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC001588832348 984321363 /nfs/dbraw/zinc/32/13/63/984321363.db2.gz FINFZNCTLCHDKU-UHFFFAOYSA-N -1 0 338.407 3.325 20 30 EGEDRM C=CCOC[C@H](NC(=O)CC1CCC(C(C)(C)C)CC1)C(=O)[O-] ZINC001588853636 984385003 /nfs/dbraw/zinc/38/50/03/984385003.db2.gz DGILNDXZPKKDNG-NRXISQOPSA-N -1 0 325.449 3.001 20 30 EGEDRM C=CCOc1ccc(CC(=O)Nc2cc(C(=O)[O-])cnc2Cl)cc1 ZINC001588873660 984444822 /nfs/dbraw/zinc/44/48/22/984444822.db2.gz FPCPNPWTUOHDDC-UHFFFAOYSA-N -1 0 346.770 3.179 20 30 EGEDRM C=CCSc1ccccc1C(=O)OCc1ccc(C(=O)[O-])cn1 ZINC001588879866 984460041 /nfs/dbraw/zinc/46/00/41/984460041.db2.gz VUSNSVDGCFHFEH-UHFFFAOYSA-N -1 0 329.377 3.415 20 30 EGEDRM C=CCc1ccccc1OS(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001588886766 984473589 /nfs/dbraw/zinc/47/35/89/984473589.db2.gz QRWPQLCJLKWAJK-UHFFFAOYSA-N -1 0 332.377 3.022 20 30 EGEDRM C[C@H](OC(=O)Cc1cccc(OCC#N)c1)c1ccc(C(=O)[O-])cc1 ZINC001599904312 984903458 /nfs/dbraw/zinc/90/34/58/984903458.db2.gz DVLFEGYWVWOAEV-ZDUSSCGKSA-N -1 0 339.347 3.134 20 30 EGEDRM CC(=NOCc1c(C)nsc1C)c1ccc(OCC(=O)[O-])cc1 ZINC001589022024 985015833 /nfs/dbraw/zinc/01/58/33/985015833.db2.gz ZRLFSXHPHSWHRW-UHFFFAOYSA-N -1 0 334.397 3.164 20 30 EGEDRM Cc1[nH]c(C(=O)CSc2cccc(F)c2C#N)c(C)c1C(=O)[O-] ZINC001599949704 985587075 /nfs/dbraw/zinc/58/70/75/985587075.db2.gz PLXBJOOAYRVLMV-UHFFFAOYSA-N -1 0 332.356 3.316 20 30 EGEDRM CC(=O)Nc1cccc2c1CCCN2Cc1cccc(C(=O)[O-])c1C#N ZINC001589216257 985714481 /nfs/dbraw/zinc/71/44/81/985714481.db2.gz UWTBYJAMOPQHIH-UHFFFAOYSA-N -1 0 349.390 3.168 20 30 EGEDRM CC(=O)c1nn(C(C)C)c(C)c1OCc1cccc(C(=O)[O-])c1C#N ZINC001589322561 986134679 /nfs/dbraw/zinc/13/46/79/986134679.db2.gz IYNCLFPXNCYLDR-UHFFFAOYSA-N -1 0 341.367 3.124 20 30 EGEDRM C[C@@](C#N)(CCc1ccccc1)NC(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC001589324057 986153161 /nfs/dbraw/zinc/15/31/61/986153161.db2.gz SLBDGSBBMGEAOV-FQQSSWHASA-N -1 0 338.363 3.022 20 30 EGEDRM Cc1c(C(=O)[O-])cc(CN=Nc2ncnc(Cl)c2C(C)C)n1C ZINC001599984645 986212345 /nfs/dbraw/zinc/21/23/45/986212345.db2.gz WFXBOBNELBPKSC-UHFFFAOYSA-N -1 0 335.795 3.045 20 30 EGEDRM CCOc1ccc(C#N)cc1NCc1ccc(OCC(=O)[O-])cc1 ZINC001597056095 986539235 /nfs/dbraw/zinc/53/92/35/986539235.db2.gz QNLNXJPHLGKIIR-UHFFFAOYSA-N -1 0 326.352 3.032 20 30 EGEDRM CCOc1ccc(C[C@@H](CNc2snc(C)c2C#N)C(=O)[O-])cc1 ZINC001597095844 986697432 /nfs/dbraw/zinc/69/74/32/986697432.db2.gz QTEBCCQUYQVDDW-ZDUSSCGKSA-N -1 0 345.424 3.077 20 30 EGEDRM CC[C@H](C#N)[C@H](OC(=O)c1cc(C(=O)[O-])ccn1)c1cccs1 ZINC001594722855 987217355 /nfs/dbraw/zinc/21/73/55/987217355.db2.gz XGIWKRNAISFECR-YGRLFVJLSA-N -1 0 330.365 3.289 20 30 EGEDRM CC(C)(C(=O)NCC1(C(=O)[O-])CCCCC1)c1cc(F)cc(C#N)c1 ZINC001589570516 987339167 /nfs/dbraw/zinc/33/91/67/987339167.db2.gz MLOPPPUFHPXGRU-UHFFFAOYSA-N -1 0 346.402 3.126 20 30 EGEDRM CCc1ccc(C#CC(=O)NC[C@](CC)(C(=O)[O-])c2ccccc2)cc1 ZINC001597495630 988044408 /nfs/dbraw/zinc/04/44/08/988044408.db2.gz YFNTXPZOZULIQR-QFIPXVFZSA-N -1 0 349.430 3.149 20 30 EGEDRM CSCc1ccc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC001599802718 988203586 /nfs/dbraw/zinc/20/35/86/988203586.db2.gz XPNGMXZHHXRDKP-INIZCTEOSA-N -1 0 341.388 3.404 20 30 EGEDRM CSc1ccc(CNC(=O)Nc2cc(C(=O)[O-])cs2)cc1C#N ZINC001599813054 988372342 /nfs/dbraw/zinc/37/23/42/988372342.db2.gz KHNCDTAOMHPGQM-UHFFFAOYSA-N -1 0 347.421 3.362 20 30 EGEDRM CSc1ccc(NC(=O)c2ncc(C#N)cc2Cl)cc1C(=O)[O-] ZINC001599820676 988507547 /nfs/dbraw/zinc/50/75/47/988507547.db2.gz IDIOXSWEVXASPL-UHFFFAOYSA-N -1 0 347.783 3.279 20 30 EGEDRM CCc1nc(NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)sc1C(=O)[O-] ZINC001597680841 988811255 /nfs/dbraw/zinc/81/12/55/988811255.db2.gz WLIIKIJOCOOSFZ-NWDGAFQWSA-N -1 0 341.392 3.018 20 30 EGEDRM CC(C)(C)c1ccc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)nc1 ZINC001590481766 990076868 /nfs/dbraw/zinc/07/68/68/990076868.db2.gz SLLOOCRQYBXXDY-INIZCTEOSA-N -1 0 338.363 3.233 20 30 EGEDRM CC(C)(C)c1ncc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)s1 ZINC001590550939 990190897 /nfs/dbraw/zinc/19/08/97/990190897.db2.gz SLDXKJDHQKZZKW-CYBMUJFWSA-N -1 0 344.392 3.295 20 30 EGEDRM CC(C)(C)n1cc(C#N)cc1NC(=O)NC1(CC(=O)[O-])CCCC1 ZINC001590587735 990236877 /nfs/dbraw/zinc/23/68/77/990236877.db2.gz XTEUTPDUJHNBLE-UHFFFAOYSA-N -1 0 332.404 3.024 20 30 EGEDRM CN(C(=O)c1cccc(SCC#N)c1)[C@H](C(=O)[O-])c1ccccc1 ZINC001598091348 990433847 /nfs/dbraw/zinc/43/38/47/990433847.db2.gz HPRCVCKFSDFEBV-INIZCTEOSA-N -1 0 340.404 3.200 20 30 EGEDRM COc1cccc2cc(CN[C@H](C(=O)[O-])c3ccc(C#N)cc3)oc21 ZINC001599692563 991094014 /nfs/dbraw/zinc/09/40/14/991094014.db2.gz MZAOHPRRNVRJSK-KRWDZBQOSA-N -1 0 336.347 3.229 20 30 EGEDRM CN(C)c1ccccc1CNN=Cc1c[nH]c2ccc(C(=O)[O-])cc12 ZINC001598342410 991412930 /nfs/dbraw/zinc/41/29/30/991412930.db2.gz MMLFTSCEYFWTSY-UHFFFAOYSA-N -1 0 336.395 3.056 20 30 EGEDRM CN(Cc1cc(C#N)cs1)c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC001598506597 992511224 /nfs/dbraw/zinc/51/12/24/992511224.db2.gz DNLHGTTWZYNNHF-HYXAFXHYSA-N -1 0 343.364 3.262 20 30 EGEDRM CN(Cc1cccc(C(=O)[O-])c1C#N)Cc1ccccc1N1CCCC1 ZINC001598529954 992767059 /nfs/dbraw/zinc/76/70/59/992767059.db2.gz HEYICQAXURGFTN-UHFFFAOYSA-N -1 0 349.434 3.489 20 30 EGEDRM COc1cc(NC(=O)[C@@H](C#N)CCc2ccccc2)ccc1C(=O)[O-] ZINC001599430400 997748720 /nfs/dbraw/zinc/74/87/20/997748720.db2.gz WOSZOIHDVCSYRO-CQSZACIVSA-N -1 0 338.363 3.104 20 30 EGEDRM C[C@@]1(NC(=O)c2cccc(SCC#N)c2)CCCC[C@@H]1C(=O)[O-] ZINC001594055458 997783770 /nfs/dbraw/zinc/78/37/70/997783770.db2.gz CCQBNBGFGLCGBT-RHSMWYFYSA-N -1 0 332.425 3.066 20 30 EGEDRM COc1ccc(/C=C/C(=O)[O-])cc1Oc1ccc(C#N)c([N+](=O)[O-])c1 ZINC001599547034 997940781 /nfs/dbraw/zinc/94/07/81/997940781.db2.gz QVPSQYFGAWTSHV-XVNBXDOJSA-N -1 0 340.291 3.365 20 30 EGEDRM COc1ccc(CCC(C)=NOCc2nc(C(=O)[O-])cs2)cc1 ZINC001599552910 998040217 /nfs/dbraw/zinc/04/02/17/998040217.db2.gz PMCJYCRZZMUOTB-UHFFFAOYSA-N -1 0 334.397 3.375 20 30 EGEDRM COc1cc(C#N)ccc1C(=O)Nc1ccc(SC)c(C(=O)[O-])c1 ZINC001599349324 998065146 /nfs/dbraw/zinc/06/51/46/998065146.db2.gz OIHDJTSBBGMMSF-UHFFFAOYSA-N -1 0 342.376 3.239 20 30 EGEDRM COc1cc(C#N)ccc1OCCOc1ccc(C(=O)[O-])c(Cl)c1 ZINC001599350351 998082013 /nfs/dbraw/zinc/08/20/13/998082013.db2.gz NCHVTAOCCCDPBR-UHFFFAOYSA-N -1 0 347.754 3.376 20 30 EGEDRM C[C@@H]1C[C@H](CON=C(CCCCC(=O)[O-])C(F)(F)F)CCO1 ZINC001594242388 998920539 /nfs/dbraw/zinc/92/05/39/998920539.db2.gz HIIJNXZJJQQWNT-GHMZBOCLSA-N -1 0 325.327 3.381 20 30 EGEDRM CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C#N)cc1 ZINC000055550829 214329485 /nfs/dbraw/zinc/32/94/85/214329485.db2.gz HVOQCFRKUQRUGN-UHFFFAOYSA-N -1 0 344.392 3.181 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2ccc(Cl)c(Cl)c2)C(=O)O1 ZINC000022226835 212282476 /nfs/dbraw/zinc/28/24/76/212282476.db2.gz YGGUNZUKGHNGDN-KQIUPUNMSA-N -1 0 325.147 3.222 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2csc(-c3ccsc3)n2)C(=O)O1 ZINC000222044856 241488272 /nfs/dbraw/zinc/48/82/72/241488272.db2.gz IDHNCLZVIKBVIY-SFAKSCPVSA-N -1 0 345.401 3.100 20 30 EGEDRM N#CCOc1ccc(NC(=O)CC2(C(=O)[O-])CCCCCC2)cc1 ZINC000016481118 211907914 /nfs/dbraw/zinc/90/79/14/211907914.db2.gz NGNPBTHYZQPNQR-UHFFFAOYSA-N -1 0 330.384 3.343 20 30 EGEDRM Cc1c([N-]S(=O)(=O)c2ccc(C#N)nc2)cccc1C(F)(F)F ZINC000122218310 152397471 /nfs/dbraw/zinc/39/74/71/152397471.db2.gz MECKCUYVEODXCF-UHFFFAOYSA-N -1 0 341.314 3.081 20 30 EGEDRM CC(C)Oc1ccc(NC(=O)NC2CCC(C(=O)[O-])CC2)cc1C#N ZINC000263112898 153913258 /nfs/dbraw/zinc/91/32/58/153913258.db2.gz VWIHSROXLPUVIN-UHFFFAOYSA-N -1 0 345.399 3.110 20 30 EGEDRM N#Cc1cncc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)c1 ZINC000336842362 154217605 /nfs/dbraw/zinc/21/76/05/154217605.db2.gz ULUGXTITWMNPPI-UHFFFAOYSA-N -1 0 328.180 3.061 20 30 EGEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccnn1[C@@H](C)CC(C)C ZINC000355316801 166162535 /nfs/dbraw/zinc/16/25/35/166162535.db2.gz ZEPWMMGWIVSMLZ-AWEZNQCLSA-N -1 0 346.456 3.471 20 30 EGEDRM CCc1ncc(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)s1 ZINC000359109861 167069499 /nfs/dbraw/zinc/06/94/99/167069499.db2.gz XMBWVECWVLJYMW-UHFFFAOYSA-N -1 0 327.818 3.031 20 30 EGEDRM N#CC(=C([O-])c1c[nH]c(C#N)c1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000181489471 270038870 /nfs/dbraw/zinc/03/88/70/270038870.db2.gz DIPUUDBUAPUSPA-OAHLLOKOSA-N -1 0 343.371 3.372 20 30 EGEDRM CC(=Cc1ccc(OC(F)F)c(F)c1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000435334407 270051247 /nfs/dbraw/zinc/05/12/47/270051247.db2.gz AQWDPDAJFMUQAQ-VMPITWQZSA-N -1 0 335.285 3.251 20 30 EGEDRM N#Cc1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])cc1 ZINC000436480379 270051568 /nfs/dbraw/zinc/05/15/68/270051568.db2.gz VUMNLHRBKRJGOJ-UHFFFAOYSA-N -1 0 342.298 3.083 20 30 EGEDRM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)n[nH]1 ZINC000291994064 266066997 /nfs/dbraw/zinc/06/69/97/266066997.db2.gz WRPJNKPJULWGHH-SNVBAGLBSA-N -1 0 336.392 3.125 20 30 EGEDRM CC[C@H](Cc1ccccc1C)C(=O)N=c1[n-]n(C(C)(C)C)cc1C#N ZINC000425512442 267215753 /nfs/dbraw/zinc/21/57/53/267215753.db2.gz DIIMUMOWBZFPNR-OAHLLOKOSA-N -1 0 338.455 3.448 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2nnc(C3CCCCC3)o2)ccc1C#N ZINC000278368693 267997001 /nfs/dbraw/zinc/99/70/01/267997001.db2.gz KHXGAMWBCDHAPL-UHFFFAOYSA-N -1 0 346.412 3.098 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nccc3sccc32)cc1F ZINC000427785881 268261289 /nfs/dbraw/zinc/26/12/89/268261289.db2.gz RSDFOJKFQAXWIE-UHFFFAOYSA-N -1 0 333.369 3.108 20 30 EGEDRM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000439625365 269659214 /nfs/dbraw/zinc/65/92/14/269659214.db2.gz ZUZXVYBJDIKSKD-UHFFFAOYSA-N -1 0 337.351 3.069 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)NCC(C)(C)c2ccccc2)cc1C#N ZINC000073770490 307388623 /nfs/dbraw/zinc/38/86/23/307388623.db2.gz SLQUKGQAMSDSFA-UHFFFAOYSA-N -1 0 341.436 3.088 20 30 EGEDRM N#Cc1c(F)cccc1C(=O)Nc1ccc(Br)cc1[O-] ZINC000548299163 314991539 /nfs/dbraw/zinc/99/15/39/314991539.db2.gz OFRYVVFVTQXEPQ-UHFFFAOYSA-N -1 0 335.132 3.418 20 30 EGEDRM Cc1ccc(-c2n[n-]c(=NC(=O)c3ncc(C#N)cc3C)s2)c(C)c1 ZINC000550085144 315116029 /nfs/dbraw/zinc/11/60/29/315116029.db2.gz FKEFVLLNOWLUBB-UHFFFAOYSA-N -1 0 349.419 3.071 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)N2CC(C)(C)[C@H]3CCC[C@@H]32)cc1C#N ZINC000573638593 317512256 /nfs/dbraw/zinc/51/22/56/317512256.db2.gz SBTVUKQFZSGZBE-STQMWFEESA-N -1 0 331.441 3.031 20 30 EGEDRM CSc1ccccc1[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000128034223 455020129 /nfs/dbraw/zinc/02/01/29/455020129.db2.gz UVDRKKHKYOWHOW-UHFFFAOYSA-N -1 0 340.376 3.359 20 30 EGEDRM COc1ccsc1S(=O)(=O)[N-]c1ccc(C#N)cc1Cl ZINC000352877418 456384644 /nfs/dbraw/zinc/38/46/44/456384644.db2.gz RXXIEAAQTKMMQY-UHFFFAOYSA-N -1 0 328.802 3.083 20 30 EGEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(C2CCCC2)nn1C ZINC000181109490 323469720 /nfs/dbraw/zinc/46/97/20/323469720.db2.gz MAPGXSICZUSMDG-UHFFFAOYSA-N -1 0 344.440 3.059 20 30 EGEDRM C=C(C)COc1cccc([N-]S(=O)(=O)c2cnn(C(C)C)c2)c1 ZINC000157752770 455227817 /nfs/dbraw/zinc/22/78/17/455227817.db2.gz GYOGHOMDZFIWAA-UHFFFAOYSA-N -1 0 335.429 3.220 20 30 EGEDRM C[C@@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000183128125 455234789 /nfs/dbraw/zinc/23/47/89/455234789.db2.gz LJJORISVIAKQNW-ZDUSSCGKSA-N -1 0 342.420 3.267 20 30 EGEDRM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)c3ccc[nH]3)c2)c1 ZINC000238200414 455258547 /nfs/dbraw/zinc/25/85/47/455258547.db2.gz IYPLQCJNOOBZME-UHFFFAOYSA-N -1 0 330.343 3.365 20 30 EGEDRM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2F)cc1 ZINC000158054818 455264516 /nfs/dbraw/zinc/26/45/16/455264516.db2.gz CGCQZXGXUUQUMW-UHFFFAOYSA-N -1 0 334.372 3.285 20 30 EGEDRM C=CCOc1ccccc1CNC(=O)C[C@@H](C(=O)[O-])c1ccccc1 ZINC000600800713 460609786 /nfs/dbraw/zinc/60/97/86/460609786.db2.gz WTCWRQNKFYHMNC-QGZVFWFLSA-N -1 0 339.391 3.126 20 30 EGEDRM Cc1cc(F)cc2c1ncc(C#N)c2N1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000600802175 460610164 /nfs/dbraw/zinc/61/01/64/460610164.db2.gz STDJGBUDPNOZAQ-FZMZJTMJSA-N -1 0 327.359 3.101 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)C=CC2CC2)c(Br)c1 ZINC000075040564 453854067 /nfs/dbraw/zinc/85/40/67/453854067.db2.gz GQQDVIKXSPOQCP-FNORWQNLSA-N -1 0 344.230 3.369 20 30 EGEDRM CCN(CCc1ccccc1)C(=O)c1cc(C#N)c(SC)[n-]c1=O ZINC000075430543 453892242 /nfs/dbraw/zinc/89/22/42/453892242.db2.gz MFAXEQHFXGZKPP-UHFFFAOYSA-N -1 0 341.436 3.086 20 30 EGEDRM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1F ZINC000082095047 453922949 /nfs/dbraw/zinc/92/29/49/453922949.db2.gz NKWCTBQGEYIWFO-INIZCTEOSA-N -1 0 326.327 3.308 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(F)c(F)c2)n1 ZINC000067896286 453978517 /nfs/dbraw/zinc/97/85/17/453978517.db2.gz NZPMHIKEDOHVQJ-SECBINFHSA-N -1 0 336.319 3.088 20 30 EGEDRM O=C(C[C@H]1CCCCO1)[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000088800725 454121354 /nfs/dbraw/zinc/12/13/54/454121354.db2.gz NZJPZESLWPKJKB-OAHLLOKOSA-N -1 0 337.441 3.170 20 30 EGEDRM CC(C)CCO[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC000058282045 454178481 /nfs/dbraw/zinc/17/84/81/454178481.db2.gz ICUHSIRSBKMELR-LBPRGKRZSA-N -1 0 331.409 3.063 20 30 EGEDRM O=C(CCc1ccco1)[N-]S(=O)(=O)c1cccc2ncccc21 ZINC000071803828 454221540 /nfs/dbraw/zinc/22/15/40/454221540.db2.gz RIPMAQDWCCDAGQ-UHFFFAOYSA-N -1 0 330.365 3.106 20 30 EGEDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)C=Cc1ccc([N+](=O)[O-])cc1 ZINC000046927885 454302575 /nfs/dbraw/zinc/30/25/75/454302575.db2.gz QYADCVFGXLLDPJ-DHZHZOJOSA-N -1 0 346.364 3.262 20 30 EGEDRM C[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCCO3)C1 ZINC000091125625 454387551 /nfs/dbraw/zinc/38/75/51/454387551.db2.gz RTFPNCHCNXDRAS-OCCSQVGLSA-N -1 0 337.441 3.483 20 30 EGEDRM CCCS(=O)(=O)[N-]C(=O)c1cccc(Br)c1Cl ZINC000097056060 454398086 /nfs/dbraw/zinc/39/80/86/454398086.db2.gz LWRTYRHZGAFIHN-UHFFFAOYSA-N -1 0 340.626 3.147 20 30 EGEDRM C=CCNC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2[O-])cc1 ZINC000097699020 454444233 /nfs/dbraw/zinc/44/42/33/454444233.db2.gz KKYWNXVVLAXUAH-UHFFFAOYSA-N -1 0 330.771 3.214 20 30 EGEDRM C=CCNC(=O)Nc1ccc(NC(=O)c2c([O-])cccc2F)cc1 ZINC000121718537 454469130 /nfs/dbraw/zinc/46/91/30/454469130.db2.gz PHIPFKKODZTBAS-UHFFFAOYSA-N -1 0 329.331 3.091 20 30 EGEDRM N#CC(=C([O-])c1nn(-c2ccccc2F)c2c1CCC2)c1ccccn1 ZINC000049457875 454549051 /nfs/dbraw/zinc/54/90/51/454549051.db2.gz MGILHADYZQHKSQ-AWEZNQCLSA-N -1 0 346.365 3.385 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)NC2(c3ccccc3)CCC2)cc1C#N ZINC000065316230 454551949 /nfs/dbraw/zinc/55/19/49/454551949.db2.gz QGVGYPWSUFFSML-UHFFFAOYSA-N -1 0 339.420 3.190 20 30 EGEDRM CC(C)(C)c1[n-]n(Cc2ccc([N+](=O)[O-])cc2F)c(=O)c1CCC#N ZINC000153467487 454796840 /nfs/dbraw/zinc/79/68/40/454796840.db2.gz SFWKRSGQWFDOPG-UHFFFAOYSA-N -1 0 346.362 3.438 20 30 EGEDRM CCCCCOc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cn2)cc1 ZINC000110122049 454841371 /nfs/dbraw/zinc/84/13/71/454841371.db2.gz RJYISRVUSKFQKE-UHFFFAOYSA-N -1 0 345.424 3.323 20 30 EGEDRM Cn1ncc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)c1C1CC1 ZINC000146868891 454860541 /nfs/dbraw/zinc/86/05/41/454860541.db2.gz POYGKLFJQRCWFR-LLVKDONJSA-N -1 0 334.301 3.201 20 30 EGEDRM COc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c(C)c1 ZINC000177997603 454925697 /nfs/dbraw/zinc/92/56/97/454925697.db2.gz OGSQEOLRLZSXGO-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM C[C@H](/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-])C(=O)OC(C)(C)C ZINC000151346469 454972531 /nfs/dbraw/zinc/97/25/31/454972531.db2.gz CETYRGALGHWBHA-LBBJYAOWSA-N -1 0 328.752 3.103 20 30 EGEDRM CC(C)Oc1cccc([C@H](O)C/N=C/c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000116608556 455063016 /nfs/dbraw/zinc/06/30/16/455063016.db2.gz PGUWGRXDQBPXIQ-HRYJJRBTSA-N -1 0 344.367 3.240 20 30 EGEDRM Cc1ncc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)c(C)n1 ZINC000179902607 455096390 /nfs/dbraw/zinc/09/63/90/455096390.db2.gz UIEVMNJPSLPESY-LLVKDONJSA-N -1 0 341.321 3.328 20 30 EGEDRM COc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000183016112 455209775 /nfs/dbraw/zinc/20/97/75/455209775.db2.gz ZWUDZYRKONEBLU-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM Cc1c(C([O-])=C(C#N)c2cnc3ccccc3n2)cnn1CC(C)C ZINC000190972988 455418009 /nfs/dbraw/zinc/41/80/09/455418009.db2.gz AWXWNMXKGYCBKH-AWEZNQCLSA-N -1 0 333.395 3.281 20 30 EGEDRM C=CCCS(=O)(=O)[N-]c1cc(C)n(-c2ccccc2Cl)n1 ZINC000182505952 455527657 /nfs/dbraw/zinc/52/76/57/455527657.db2.gz GGZFHKFEESMCNX-UHFFFAOYSA-N -1 0 325.821 3.152 20 30 EGEDRM C=C[C@H](CC(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1)c1ccccc1 ZINC000192994911 455732975 /nfs/dbraw/zinc/73/29/75/455732975.db2.gz QKBTZCRUANOHNW-CYBMUJFWSA-N -1 0 327.384 3.001 20 30 EGEDRM CC(=O)N(c1nc(C=CC(=O)c2sccc2[O-])cs1)C1CC1 ZINC000193150021 455744501 /nfs/dbraw/zinc/74/45/01/455744501.db2.gz FRHCWDYAJANEQL-GORDUTHDSA-N -1 0 334.422 3.322 20 30 EGEDRM CCc1cc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)n[nH]1 ZINC000193282672 455750388 /nfs/dbraw/zinc/75/03/88/455750388.db2.gz UUVARBAVKSOOSZ-JTQLQIEISA-N -1 0 329.310 3.207 20 30 EGEDRM C=C(C)COCCNC(=O)c1c[nH]nc1-c1ccc(Cl)s1 ZINC000186541993 455789495 /nfs/dbraw/zinc/78/94/95/455789495.db2.gz BMJCTKFZJRBSIW-UHFFFAOYSA-N -1 0 325.821 3.114 20 30 EGEDRM Cc1ccc(-c2cc(C([O-])=C(C#N)c3nc4ccccc4n3C)n[nH]2)o1 ZINC000194086233 455800255 /nfs/dbraw/zinc/80/02/55/455800255.db2.gz KNPWFRLQDYAMTR-GFCCVEGCSA-N -1 0 345.362 3.355 20 30 EGEDRM CC(=O)Nc1cccc(N=c2[n-]nc(S[C@H](C#N)C3CC3)s2)c1 ZINC000601075236 460699153 /nfs/dbraw/zinc/69/91/53/460699153.db2.gz MSFUUVGTRCLVSQ-CYBMUJFWSA-N -1 0 345.453 3.056 20 30 EGEDRM C[C@@H](COCC(F)(F)F)[N-]C(=O)C(F)(F)c1c(F)cccc1F ZINC000270201936 455901010 /nfs/dbraw/zinc/90/10/10/455901010.db2.gz JUKMYJNEJZYIRQ-ZETCQYMHSA-N -1 0 347.230 3.140 20 30 EGEDRM C=CCC[C@@H](NC(=O)[C@@H](C)Cc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000262905592 456067692 /nfs/dbraw/zinc/06/76/92/456067692.db2.gz MSFQQAAFNVIHOR-SMDDNHRTSA-N -1 0 343.345 3.420 20 30 EGEDRM C=CC[C@H]1N(CC2=Nc3ccccc3S(=O)(=O)[N-]2)CCCC1(C)C ZINC000332533728 456087709 /nfs/dbraw/zinc/08/77/09/456087709.db2.gz WWVDPODMZQGROG-MRXNPFEDSA-N -1 0 347.484 3.075 20 30 EGEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000263487849 456156727 /nfs/dbraw/zinc/15/67/27/456156727.db2.gz NKMGIUIPILBQPB-NEPJUHHUSA-N -1 0 333.413 3.019 20 30 EGEDRM CC(C)c1ccc(SCC(=O)Nc2nc(C#N)c(C#N)[n-]2)cc1 ZINC000298729316 456527765 /nfs/dbraw/zinc/52/77/65/456527765.db2.gz MNLVOHIFYCEZTD-UHFFFAOYSA-N -1 0 325.397 3.007 20 30 EGEDRM C=CCCS(=O)(=O)[N-]c1ccc(Br)c2cccnc12 ZINC000337859350 456572982 /nfs/dbraw/zinc/57/29/82/456572982.db2.gz LZEFOJABLVDDFI-UHFFFAOYSA-N -1 0 341.230 3.315 20 30 EGEDRM Cc1ccc(Sc2nc(=NC(=O)NCCCCC#N)s[n-]2)cc1 ZINC000353519678 456731762 /nfs/dbraw/zinc/73/17/62/456731762.db2.gz GACMLCLJNYZPNU-UHFFFAOYSA-N -1 0 347.469 3.235 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(Oc3ccncc3)c2)o1 ZINC000340937335 456771558 /nfs/dbraw/zinc/77/15/58/456771558.db2.gz KNSCIXBVZCZBFI-UHFFFAOYSA-N -1 0 341.348 3.139 20 30 EGEDRM CCOC(=O)c1cnc(/C=C\c2ccc(C#N)cc2F)c(C(=O)[O-])c1 ZINC000340966700 456788389 /nfs/dbraw/zinc/78/83/89/456788389.db2.gz PJXVFBYBAQRKDK-WAYWQWQTSA-N -1 0 340.310 3.138 20 30 EGEDRM Cc1cn(-c2ccc(F)cc2)nc1C([O-])=C(C#N)c1cc(C)nc(C)n1 ZINC000338627824 456845916 /nfs/dbraw/zinc/84/59/16/456845916.db2.gz SODRELKPSOEZHA-INIZCTEOSA-N -1 0 349.369 3.217 20 30 EGEDRM C[C@H]1C[C@@H](C([O-])=Nc2cccc(-c3nnnn3C3CC3)c2)CC(=O)N1 ZINC000329355200 456878148 /nfs/dbraw/zinc/87/81/48/456878148.db2.gz VPYVTNUOGGXGLC-CMPLNLGQSA-N -1 0 340.387 3.018 20 30 EGEDRM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C#N)cc1 ZINC000353778672 456903125 /nfs/dbraw/zinc/90/31/25/456903125.db2.gz GYOIJHBLZZOLFC-UHFFFAOYSA-N -1 0 346.383 3.337 20 30 EGEDRM C=CCN1C(=O)c2ccccc2N[C@@H]1c1[nH]nc2cc(C(=O)[O-])ccc21 ZINC000345434720 456978560 /nfs/dbraw/zinc/97/85/60/456978560.db2.gz JJYYIBSRZHGEIQ-KRWDZBQOSA-N -1 0 348.362 3.014 20 30 EGEDRM CC(C)(C)c1nc(=NC(=O)N[C@H]2CCOC3(CCCC3)C2)s[n-]1 ZINC000330273087 457018946 /nfs/dbraw/zinc/01/89/46/457018946.db2.gz YQOFNZQEBCEAQL-NSHDSACASA-N -1 0 338.477 3.075 20 30 EGEDRM CCCSc1nc(=NC(=O)N[C@H](C)c2ccc(C#N)cc2)s[n-]1 ZINC000356569677 457061260 /nfs/dbraw/zinc/06/12/60/457061260.db2.gz WZIIDJJHKHLEAZ-SNVBAGLBSA-N -1 0 347.469 3.216 20 30 EGEDRM Cc1occc1-c1cc([N-]S(=O)(=O)c2cc(C#N)ccc2C)no1 ZINC000362877493 457138606 /nfs/dbraw/zinc/13/86/06/457138606.db2.gz TUBVHESQKTVYIJ-UHFFFAOYSA-N -1 0 343.364 3.224 20 30 EGEDRM N#CC[C@@H](CC(=O)N=c1nc(-c2cccnc2)[n-]s1)c1ccccc1 ZINC000359905387 457140899 /nfs/dbraw/zinc/14/08/99/457140899.db2.gz UENQGEVBYYGPSD-AWEZNQCLSA-N -1 0 349.419 3.048 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)c2ccncn2)nn1-c1ccc(Cl)cc1 ZINC000354471744 457244313 /nfs/dbraw/zinc/24/43/13/457244313.db2.gz OOGBZXNETTVSLR-CQSZACIVSA-N -1 0 337.770 3.114 20 30 EGEDRM CC(=O)c1ccc(-c2ccc(C([O-])=C(C#N)c3ccncn3)o2)cc1 ZINC000354471767 457244660 /nfs/dbraw/zinc/24/46/60/457244660.db2.gz UBDXOCNSVROLMG-OAHLLOKOSA-N -1 0 331.331 3.429 20 30 EGEDRM N#CC(=C([O-])c1csc(Cc2ccc(F)cc2)n1)c1ccncn1 ZINC000354478447 457249096 /nfs/dbraw/zinc/24/90/96/457249096.db2.gz VBVPRRYTFHUVTC-CYBMUJFWSA-N -1 0 338.367 3.153 20 30 EGEDRM CC[C@H](C)Oc1cc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)ccn1 ZINC000347292636 457334606 /nfs/dbraw/zinc/33/46/06/457334606.db2.gz CFCXUEWWRWMNPU-GXTWGEPZSA-N -1 0 349.394 3.329 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(CC)nc2C)n1 ZINC000355234656 457349314 /nfs/dbraw/zinc/34/93/14/457349314.db2.gz UKLQZXDYKBLURN-CYBMUJFWSA-N -1 0 343.408 3.076 20 30 EGEDRM C=C[C@@H](CC(=O)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1)c1ccccc1 ZINC000355754320 457414874 /nfs/dbraw/zinc/41/48/74/457414874.db2.gz SLSUTAAZADKYNX-ZDUSSCGKSA-N -1 0 334.379 3.476 20 30 EGEDRM CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2ccccc2CC#N)c1C ZINC000355846952 457423286 /nfs/dbraw/zinc/42/32/86/457423286.db2.gz RMBBKLKVAODYRC-GFCCVEGCSA-N -1 0 332.429 3.029 20 30 EGEDRM CC[C@H](C)n1nc([N-]S(=O)(=O)c2ccccc2CC#N)cc1C ZINC000355867307 457425849 /nfs/dbraw/zinc/42/58/49/457425849.db2.gz LYFOVYKZKLTKMV-LBPRGKRZSA-N -1 0 332.429 3.029 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(C3CC3)ccn2)c(Cl)c1 ZINC000357531660 457583171 /nfs/dbraw/zinc/58/31/71/457583171.db2.gz KTBRMJBSCVHPMN-UHFFFAOYSA-N -1 0 333.800 3.285 20 30 EGEDRM C=CCn1c(=N)[n-]nc1SCc1ncc(-c2ccc(C)cc2)o1 ZINC000361448279 457735902 /nfs/dbraw/zinc/73/59/02/457735902.db2.gz YXBPOAHRNZRNQI-UHFFFAOYSA-N -1 0 327.413 3.132 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc3ccc(O)cc32)s1 ZINC000435485604 458153302 /nfs/dbraw/zinc/15/33/02/458153302.db2.gz BGRJHLKAJBUBTF-UHFFFAOYSA-N -1 0 330.390 3.279 20 30 EGEDRM C[C@@H](C#N)CSc1ccccc1[N-]S(=O)(=O)c1cccn1C ZINC000414375373 458318259 /nfs/dbraw/zinc/31/82/59/458318259.db2.gz RMPHIJDDSATZJT-LBPRGKRZSA-N -1 0 335.454 3.078 20 30 EGEDRM CCOc1ccncc1S(=O)(=O)[N-]c1ccc(C(C)(C)C#N)cc1 ZINC000414367938 458318732 /nfs/dbraw/zinc/31/87/32/458318732.db2.gz FUWHVQWELIIVKM-UHFFFAOYSA-N -1 0 345.424 3.082 20 30 EGEDRM CC1(C#N)CCN(C(=O)c2cc(F)cc(Br)c2[O-])CC1 ZINC000436852154 458394084 /nfs/dbraw/zinc/39/40/84/458394084.db2.gz NWHMUTSTRPWIET-UHFFFAOYSA-N -1 0 341.180 3.060 20 30 EGEDRM COC(=O)c1ccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)cn1 ZINC000420274909 458398384 /nfs/dbraw/zinc/39/83/84/458398384.db2.gz PFHVPRHNPROSSS-LLVKDONJSA-N -1 0 343.408 3.112 20 30 EGEDRM CC1(C)CCc2sc([N-]S(=O)(=O)c3cccc(C#N)c3)nc21 ZINC000421255553 458409641 /nfs/dbraw/zinc/40/96/41/458409641.db2.gz GEXBPZYSSYTXLT-UHFFFAOYSA-N -1 0 333.438 3.039 20 30 EGEDRM N#CCC1(CNC(=O)c2cc(Br)cc(Cl)c2[O-])CC1 ZINC000437830818 458499743 /nfs/dbraw/zinc/49/97/43/458499743.db2.gz XXDQWOYUKNZQGZ-UHFFFAOYSA-N -1 0 343.608 3.232 20 30 EGEDRM C=C(C)CCNC(=O)N=c1[n-]nc(SCc2ccccc2)s1 ZINC000454253454 458555985 /nfs/dbraw/zinc/55/59/85/458555985.db2.gz ZNXMQXOIUIELRO-UHFFFAOYSA-N -1 0 334.470 3.340 20 30 EGEDRM C=C[C@H]1CCCCN1C(=O)N=c1[n-]nc(-c2ccccc2OC)s1 ZINC000455759312 458612578 /nfs/dbraw/zinc/61/25/78/458612578.db2.gz KPIAZMTZCAFNSN-LBPRGKRZSA-N -1 0 344.440 3.208 20 30 EGEDRM CC(C)C[C@H](CNC(=O)Nc1ccc(OC(C)C)c(C#N)c1)C(=O)[O-] ZINC000424384066 458630044 /nfs/dbraw/zinc/63/00/44/458630044.db2.gz QOHZCSNYKQIORJ-CQSZACIVSA-N -1 0 347.415 3.214 20 30 EGEDRM CCC(CC)(CNC(=O)Nc1cc(C#N)cn1C(C)(C)C)C(=O)[O-] ZINC000424391639 458632756 /nfs/dbraw/zinc/63/27/56/458632756.db2.gz RDVFODMCUZVRGD-UHFFFAOYSA-N -1 0 334.420 3.127 20 30 EGEDRM CC(C)(C)c1n[n-]c(=NCCSCc2ccccc2C#N)s1 ZINC000432129501 458687552 /nfs/dbraw/zinc/68/75/52/458687552.db2.gz LPEWQBJPAJBPTH-UHFFFAOYSA-N -1 0 332.498 3.474 20 30 EGEDRM N#CC(=C([O-])c1ccc(O[C@@H]2CCOC2)cc1)c1nc2ccccc2o1 ZINC000517665921 458830911 /nfs/dbraw/zinc/83/09/11/458830911.db2.gz ZXVVOGCIIWDPBC-HZPDHXFCSA-N -1 0 348.358 3.486 20 30 EGEDRM O=C([O-])c1csc(/C=C\C(=O)c2cccc(N3CCOC3=O)c2)c1 ZINC000495409269 458851904 /nfs/dbraw/zinc/85/19/04/458851904.db2.gz XWDRLMOJLSHESM-PLNGDYQASA-N -1 0 343.360 3.299 20 30 EGEDRM C=CCN=c1[n-]nc(SCC(=O)c2cc(F)c(C)cc2F)s1 ZINC000440841873 458859993 /nfs/dbraw/zinc/85/99/93/458859993.db2.gz JKCQQTDQHOMUKF-UHFFFAOYSA-N -1 0 341.408 3.120 20 30 EGEDRM C=CCOCCSc1n[n-]c(=Nc2ccccc2OCC)s1 ZINC000554970557 458903044 /nfs/dbraw/zinc/90/30/44/458903044.db2.gz FOEWFKSZWAWVMI-UHFFFAOYSA-N -1 0 337.470 3.397 20 30 EGEDRM C=CCCN(C)C(=O)N=c1[n-]nc(-c2c(F)cccc2Cl)s1 ZINC000466616704 458909189 /nfs/dbraw/zinc/90/91/89/458909189.db2.gz ODRQCIBRFOUPRM-UHFFFAOYSA-N -1 0 340.811 3.459 20 30 EGEDRM C=C(C)[C@@H]1OCC[C@@H]1CNc1ncnc2sc(C(=O)[O-])c(C)c21 ZINC000577638186 459066634 /nfs/dbraw/zinc/06/66/34/459066634.db2.gz POUKYKUMWBLMOF-PWSUYJOCSA-N -1 0 333.413 3.091 20 30 EGEDRM N#Cc1ccc(CCNC(=O)CC2(CC(=O)[O-])CCCCC2)cc1 ZINC000594660096 459123023 /nfs/dbraw/zinc/12/30/23/459123023.db2.gz DFTJTRXYMPJUSL-UHFFFAOYSA-N -1 0 328.412 3.032 20 30 EGEDRM CC(=Cc1cccc(OC2CC2)c1F)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000594695423 459132442 /nfs/dbraw/zinc/13/24/42/459132442.db2.gz GEDMEQMJETVTHP-CSKARUKUSA-N -1 0 325.343 3.191 20 30 EGEDRM N#Cc1ccc(C(=O)N2C[C@H]3CCCCN3c3ccccc32)cc1[O-] ZINC000590525497 459143673 /nfs/dbraw/zinc/14/36/73/459143673.db2.gz YFZVUZUQSPJCGH-MRXNPFEDSA-N -1 0 333.391 3.283 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)ns1 ZINC000582340474 459348466 /nfs/dbraw/zinc/34/84/66/459348466.db2.gz NFNAMOGMQSQGQP-NSHDSACASA-N -1 0 326.406 3.460 20 30 EGEDRM C=CCCOCCCCC(=O)N=c1ccc(-c2ccccc2)n[n-]1 ZINC000540617261 459382156 /nfs/dbraw/zinc/38/21/56/459382156.db2.gz FAUUMFKAAJLGMP-UHFFFAOYSA-N -1 0 325.412 3.267 20 30 EGEDRM C=CCN=c1[n-]nc(SCC(=O)c2cc(C)c(F)cc2F)s1 ZINC000484713162 459427554 /nfs/dbraw/zinc/42/75/54/459427554.db2.gz MMAUIZYOXOXHQQ-UHFFFAOYSA-N -1 0 341.408 3.120 20 30 EGEDRM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1ccc(Cl)cc1C#N ZINC000596041901 459500722 /nfs/dbraw/zinc/50/07/22/459500722.db2.gz NTYOLANJTLFHFB-ZDUSSCGKSA-N -1 0 330.837 3.014 20 30 EGEDRM C=CCC[C@@H](NC(=O)Nc1ccc(CC(F)(F)F)cc1)C(=O)[O-] ZINC000571141221 459564938 /nfs/dbraw/zinc/56/49/38/459564938.db2.gz LBPJUBNQQVNDHM-GFCCVEGCSA-N -1 0 330.306 3.332 20 30 EGEDRM C#C[C@H](N=c1nc([C@H](C)OC)[n-]s1)c1ccc(Cl)cc1F ZINC000491124970 459599612 /nfs/dbraw/zinc/59/96/12/459599612.db2.gz ACGDJPJLGPBFFW-UFBFGSQYSA-N -1 0 325.796 3.246 20 30 EGEDRM C#CCN(C(=O)N=c1[n-]nc(-c2ccsc2)s1)C1CCCC1 ZINC000491430922 459625992 /nfs/dbraw/zinc/62/59/92/459625992.db2.gz ZPZIOKPJBGUETD-UHFFFAOYSA-N -1 0 332.454 3.098 20 30 EGEDRM Cc1cc(Cl)c(C(=O)[O-])cc1NS(=O)(=O)CCC(C)(C)C#N ZINC000574045317 459772364 /nfs/dbraw/zinc/77/23/64/459772364.db2.gz PULOECSDHZEBJL-UHFFFAOYSA-N -1 0 344.820 3.028 20 30 EGEDRM N#CCc1ccc(C(=O)N2[C@@H](C(=O)[O-])CC[C@H]2c2ccccc2)cc1 ZINC000598659723 459982621 /nfs/dbraw/zinc/98/26/21/459982621.db2.gz HPIQNJQVAANOPU-ZWKOTPCHSA-N -1 0 334.375 3.183 20 30 EGEDRM N#CCc1ccc(C(=O)N2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)cc1 ZINC000598659722 459983037 /nfs/dbraw/zinc/98/30/37/459983037.db2.gz HPIQNJQVAANOPU-ROUUACIJSA-N -1 0 334.375 3.183 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc3c2CCCC3)c(F)c1 ZINC000610056137 460056276 /nfs/dbraw/zinc/05/62/76/460056276.db2.gz INYYQNNMAPTKMP-UHFFFAOYSA-N -1 0 330.384 3.377 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2coc(C3CCC3)n2)n1 ZINC000618561403 460061178 /nfs/dbraw/zinc/06/11/78/460061178.db2.gz FEUGJAQGSLVBHE-JTQLQIEISA-N -1 0 345.380 3.065 20 30 EGEDRM CCO[C@@H](C)c1ncc(C(=O)Nc2nc(C)cc(C)c2C#N)s1 ZINC000598853207 460068228 /nfs/dbraw/zinc/06/82/28/460068228.db2.gz MNHORTYSPQAJOO-NSHDSACASA-N -1 0 330.413 3.376 20 30 EGEDRM Cn1cc(C#N)c(=NC(=O)N2CCC[C@H]2c2cccc3ccccc32)[n-]1 ZINC000610565306 460185768 /nfs/dbraw/zinc/18/57/68/460185768.db2.gz SATIHWJHPGSUJG-SFHVURJKSA-N -1 0 345.406 3.236 20 30 EGEDRM CCC1(CC)CCCN(C(=O)c2cc(C#N)c(SC)[n-]c2=O)C1 ZINC000598216764 460208690 /nfs/dbraw/zinc/20/86/90/460208690.db2.gz YDTXEZNWXVCAMC-UHFFFAOYSA-N -1 0 333.457 3.423 20 30 EGEDRM C=C[C@H](Sc1n[n-]c(=Nc2cccc(C)c2C)s1)C(=O)OC ZINC000619686365 460412367 /nfs/dbraw/zinc/41/23/67/460412367.db2.gz BXAIJANIRWBVSD-LBPRGKRZSA-N -1 0 335.454 3.140 20 30 EGEDRM C=CC[C@@H]1CCCN(C(=O)c2nn(-c3ccc(F)cc3F)cc2[O-])C1 ZINC000617778529 460974223 /nfs/dbraw/zinc/97/42/23/460974223.db2.gz IRSXTDCDWCGHBJ-GFCCVEGCSA-N -1 0 347.365 3.284 20 30 EGEDRM CC(C)Oc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1C#N ZINC000601992655 460975649 /nfs/dbraw/zinc/97/56/49/460975649.db2.gz RNHKIUZSFBHXJH-CABCVRRESA-N -1 0 330.384 3.175 20 30 EGEDRM C=CCOc1c(Cl)cc(C[NH2+]C2([C@@H](C)C(=O)[O-])CC2)cc1OC ZINC000630462139 461134400 /nfs/dbraw/zinc/13/44/00/461134400.db2.gz KHUZKYZPBOCNPV-NSHDSACASA-N -1 0 339.819 3.256 20 30 EGEDRM C=CCCc1ccccc1NC(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000640119535 462266906 /nfs/dbraw/zinc/26/69/06/462266906.db2.gz MAKHXGARXLVTRJ-CQSZACIVSA-N -1 0 341.415 3.040 20 30 EGEDRM N#CC(=C([O-])c1cc2n(n1)CCCC2)c1nc2cc(F)ccc2s1 ZINC000651639357 462284163 /nfs/dbraw/zinc/28/41/63/462284163.db2.gz FFSLVSPGCUDQRK-GFCCVEGCSA-N -1 0 340.383 3.458 20 30 EGEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1nc2c(s1)C[C@H](C)CC2 ZINC000077966176 472645008 /nfs/dbraw/zinc/64/50/08/472645008.db2.gz PFTNVERXRMSGNY-SNVBAGLBSA-N -1 0 347.465 3.249 20 30 EGEDRM C=CCCO[C@@H](C)C(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC000676019590 549021134 /nfs/dbraw/zinc/02/11/34/549021134.db2.gz YZILGKZPTWQALI-NSHDSACASA-N -1 0 333.409 3.197 20 30 EGEDRM N#CC(=C([O-])c1ncn(-c2ccccc2)n1)c1ccc2ccccc2n1 ZINC000678173245 549418816 /nfs/dbraw/zinc/41/88/16/549418816.db2.gz WNOFYTDKWSFTQJ-INIZCTEOSA-N -1 0 339.358 3.306 20 30 EGEDRM C=C(C)[C@@H](NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-])c1ccc(F)c(F)c1 ZINC000681349715 549985181 /nfs/dbraw/zinc/98/51/81/549985181.db2.gz VFYRDUZGXNQYES-DVOMOZLQSA-N -1 0 335.350 3.365 20 30 EGEDRM O=C([O-])COc1cccc(C(=O)/C=C\C2=Cc3ccccc3OC2)c1 ZINC000726742439 574568703 /nfs/dbraw/zinc/56/87/03/574568703.db2.gz QSDSKLJLQLGHOZ-HJWRWDBZSA-N -1 0 336.343 3.365 20 30 EGEDRM COc1ccnc(N=NC(C)c2ccc(Cl)c(Cl)c2[O-])n1 ZINC000727650905 574681258 /nfs/dbraw/zinc/68/12/58/574681258.db2.gz BNPREXZNMBDIMN-UHFFFAOYSA-N -1 0 327.171 3.334 20 30 EGEDRM COc1cccc(/C=N/Cc2ccc(OCCCC(=O)[O-])cc2)c1O ZINC000738097622 574743734 /nfs/dbraw/zinc/74/37/34/574743734.db2.gz VMSGKPNPFWESLS-DEDYPNTBSA-N -1 0 343.379 3.264 20 30 EGEDRM COc1ccc2oc(C(C)=NNc3[n-]cnc4ncnc3-4)c(C)c2c1 ZINC000729142346 574817853 /nfs/dbraw/zinc/81/78/53/574817853.db2.gz QJIYONCJJSNTQV-UHFFFAOYSA-N -1 0 336.355 3.252 20 30 EGEDRM Cc1ccccc1[C@H](O)C/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000732714111 575284109 /nfs/dbraw/zinc/28/41/09/575284109.db2.gz RDCFLODTLCHEKA-OADJVDCOSA-N -1 0 334.759 3.415 20 30 EGEDRM COc1ccc2c(c1)CC/C(=C/c1cccc(OCC(=O)[O-])c1)C2=O ZINC000733207212 575320650 /nfs/dbraw/zinc/32/06/50/575320650.db2.gz WMYCLVVJTJDABW-DHDCSXOGSA-N -1 0 338.359 3.371 20 30 EGEDRM O=C([O-])COc1cccc(/C=C/C(=O)c2cnn(-c3ccccc3)c2)c1 ZINC000733207130 575320661 /nfs/dbraw/zinc/32/06/61/575320661.db2.gz UYAIOUATKRLHQT-MDZDMXLPSA-N -1 0 348.358 3.232 20 30 EGEDRM C#Cc1ccc(C(=O)Nc2nc(-c3ccc(C(=O)[O-])cc3)cs2)nc1 ZINC000736092960 575898670 /nfs/dbraw/zinc/89/86/70/575898670.db2.gz OJMILCJKQJIKRT-UHFFFAOYSA-N -1 0 349.371 3.137 20 30 EGEDRM C=CCCC(=O)N(Cc1ccoc1C(=O)[O-])[C@H](C)c1ccccn1 ZINC000736096359 575899105 /nfs/dbraw/zinc/89/91/05/575899105.db2.gz LQDZWUPYDPKANW-CYBMUJFWSA-N -1 0 328.368 3.429 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)C1CCSCC1 ZINC000736115012 575900719 /nfs/dbraw/zinc/90/07/19/575900719.db2.gz UBLBGNZFMKWIQU-UHFFFAOYSA-N -1 0 336.409 3.171 20 30 EGEDRM C=CCc1ccccc1OS(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000736115144 575900736 /nfs/dbraw/zinc/90/07/36/575900736.db2.gz VTPGDMLMPQJUDY-UHFFFAOYSA-N -1 0 332.377 3.189 20 30 EGEDRM CC(C)(NC(=O)[O-])C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000736337914 575937798 /nfs/dbraw/zinc/93/77/98/575937798.db2.gz XTNSMUIYPMMWAV-UHFFFAOYSA-N -1 0 339.351 3.335 20 30 EGEDRM CC(C)[C@@H](NC(=O)[O-])C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000736377046 575946124 /nfs/dbraw/zinc/94/61/24/575946124.db2.gz RLFYPCSAECNEJD-GOSISDBHSA-N -1 0 336.391 3.317 20 30 EGEDRM CC(C)c1nc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cs1 ZINC000736526235 575979206 /nfs/dbraw/zinc/97/92/06/575979206.db2.gz SPFKXOFAYMLTMM-CYBMUJFWSA-N -1 0 330.365 3.121 20 30 EGEDRM C[C@H](CNC(=O)c1ccccc1Sc1ccccc1C#N)C(=O)[O-] ZINC000736604437 575990951 /nfs/dbraw/zinc/99/09/51/575990951.db2.gz QUSFAQYOOUZAKB-GFCCVEGCSA-N -1 0 340.404 3.160 20 30 EGEDRM C[C@@H]1CCc2c(sc(NC(=O)CON=C3CCC3)c2C(=O)[O-])C1 ZINC000736800023 576033494 /nfs/dbraw/zinc/03/34/94/576033494.db2.gz BIUPGVVQEJEKOA-SECBINFHSA-N -1 0 336.413 3.066 20 30 EGEDRM COc1ccc(C#N)cc1NC(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000737920015 576113895 /nfs/dbraw/zinc/11/38/95/576113895.db2.gz KMIPBTXTUMJISR-UHFFFAOYSA-N -1 0 326.312 3.301 20 30 EGEDRM CCc1cc(C#N)c(NC(=O)CCc2ccc(C(=O)[O-])cc2)s1 ZINC000737250353 576148695 /nfs/dbraw/zinc/14/86/95/576148695.db2.gz FJJWWBMVIACSPG-UHFFFAOYSA-N -1 0 328.393 3.452 20 30 EGEDRM CN(CCCC(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000737416881 576224324 /nfs/dbraw/zinc/22/43/24/576224324.db2.gz BIXZFELSUNBFSO-NSHDSACASA-N -1 0 344.198 3.064 20 30 EGEDRM COc1ccc(CCNN=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC000737440373 576230436 /nfs/dbraw/zinc/23/04/36/576230436.db2.gz GIZQHSHEWAUZKQ-UHFFFAOYSA-N -1 0 349.774 3.129 20 30 EGEDRM COc1cc(/C=C\C(=O)[O-])ccc1OCc1ccc(F)cc1C#N ZINC000737879301 576269159 /nfs/dbraw/zinc/26/91/59/576269159.db2.gz PYZQUJXHMNRFGR-CLTKARDFSA-N -1 0 327.311 3.383 20 30 EGEDRM CSc1ccc([C@H](CC(=O)[O-])/N=C\c2cccc(O)c2O)cc1 ZINC000738198840 576298888 /nfs/dbraw/zinc/29/88/88/576298888.db2.gz GDLHGAKUVLYNKU-KPYNCUPYSA-N -1 0 331.393 3.455 20 30 EGEDRM Cc1c(NC(=O)c2cc3ccccc3n2CC#N)cccc1C(=O)[O-] ZINC000738305005 576312228 /nfs/dbraw/zinc/31/22/28/576312228.db2.gz BVSWCBLUVUQKKI-UHFFFAOYSA-N -1 0 333.347 3.424 20 30 EGEDRM Cc1ccc(C(=O)[O-])cc1OC(=O)c1cc2ccccc2n1CC#N ZINC000738542329 576335695 /nfs/dbraw/zinc/33/56/95/576335695.db2.gz XKJZSAWKVLOAPD-UHFFFAOYSA-N -1 0 334.331 3.391 20 30 EGEDRM Cc1cccc(C[C@@H](CNc2ccc([N+](=O)[O-])cc2C#N)C(=O)[O-])c1 ZINC000738707537 576353358 /nfs/dbraw/zinc/35/33/58/576353358.db2.gz LFMFTRKCZDNDBV-HNNXBMFYSA-N -1 0 339.351 3.130 20 30 EGEDRM Cc1ccccc1SCC(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000738785903 576361036 /nfs/dbraw/zinc/36/10/36/576361036.db2.gz OQLFIPKFKZGSEH-QGZVFWFLSA-N -1 0 341.388 3.328 20 30 EGEDRM N#CCCCOc1cccc(N[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000739072961 576376843 /nfs/dbraw/zinc/37/68/43/576376843.db2.gz NXRUUCSWNABXAK-SFHVURJKSA-N -1 0 335.363 3.479 20 30 EGEDRM N#Cc1ccc(C(=O)NCc2c3ccccc3sc2C(=O)[O-])cc1 ZINC000739101657 576378071 /nfs/dbraw/zinc/37/80/71/576378071.db2.gz KDCZUGJALAVEHN-UHFFFAOYSA-N -1 0 336.372 3.401 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)CCc2c[nH]c3ccccc23)C(=O)[O-])cc1 ZINC000739107306 576378351 /nfs/dbraw/zinc/37/83/51/576378351.db2.gz AJXWTRXLSXELBZ-IBGZPJMESA-N -1 0 348.358 3.341 20 30 EGEDRM N#Cc1ccc([C@@H](Nc2ccn(Cc3ccccc3)n2)C(=O)[O-])cc1 ZINC000739112001 576378611 /nfs/dbraw/zinc/37/86/11/576378611.db2.gz XKTDGACUNJGFNK-GOSISDBHSA-N -1 0 332.363 3.041 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)c2cccc(C(F)F)c2)C(=O)[O-])cc1 ZINC000739114504 576378753 /nfs/dbraw/zinc/37/87/53/576378753.db2.gz HLVMDQSULZCIAY-AWEZNQCLSA-N -1 0 331.274 3.479 20 30 EGEDRM N#Cc1ccc(F)c(CN(CC(=O)[O-])Cc2ccc(F)c(F)c2)c1 ZINC000739117320 576378822 /nfs/dbraw/zinc/37/88/22/576378822.db2.gz DAJCTDXFTRSGIG-UHFFFAOYSA-N -1 0 334.297 3.062 20 30 EGEDRM N#Cc1ccc([C@H](Sc2nncn2-c2ccccc2)C(=O)[O-])cc1 ZINC000739117179 576378861 /nfs/dbraw/zinc/37/88/61/576378861.db2.gz JNLATZSKNFGFLF-HNNXBMFYSA-N -1 0 336.376 3.057 20 30 EGEDRM N#Cc1ccc([C@@H](OC(=O)c2c[nH]c3cc(F)ccc32)C(=O)[O-])cc1 ZINC000739116068 576378862 /nfs/dbraw/zinc/37/88/62/576378862.db2.gz YXSKLHHQUMYKDE-MRXNPFEDSA-N -1 0 338.294 3.161 20 30 EGEDRM N#Cc1ccc(OC(F)F)c(NC(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000739120642 576379064 /nfs/dbraw/zinc/37/90/64/576379064.db2.gz BOTHCGULLUOBBE-UHFFFAOYSA-N -1 0 332.262 3.110 20 30 EGEDRM N#Cc1ccc(OCCCN2C[C@@H](CC(=O)[O-])c3ccccc32)cc1 ZINC000739129396 576379225 /nfs/dbraw/zinc/37/92/25/576379225.db2.gz WREONHAYADPKDF-MRXNPFEDSA-N -1 0 336.391 3.406 20 30 EGEDRM N#Cc1ccccc1C=CC(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000739140380 576379546 /nfs/dbraw/zinc/37/95/46/576379546.db2.gz SPBXICKOPLSWHS-YVMONPNESA-N -1 0 325.299 3.439 20 30 EGEDRM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)C3(O)CCCC3)c2)c1 ZINC000740212860 576565964 /nfs/dbraw/zinc/56/59/64/576565964.db2.gz UHOJMMYAHZPFOT-UHFFFAOYSA-N -1 0 349.386 3.028 20 30 EGEDRM CC(=NNc1nnc(C)c(=O)[n-]1)c1ccc(SCC(F)F)cc1 ZINC000741759448 576717799 /nfs/dbraw/zinc/71/77/99/576717799.db2.gz VRMUMBGAMPGYGC-UHFFFAOYSA-N -1 0 339.371 3.079 20 30 EGEDRM C[C@H](Oc1cccc(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)c1)C(=O)[O-] ZINC000745021918 576838722 /nfs/dbraw/zinc/83/87/22/576838722.db2.gz UVZMQVREJXRJSH-LAUAKBEESA-N -1 0 341.319 3.343 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(NC2CCCCC2)cc1 ZINC000819855455 597641330 /nfs/dbraw/zinc/64/13/30/597641330.db2.gz CPYVPVOSBBRJGY-GOSISDBHSA-N -1 0 329.400 3.374 20 30 EGEDRM Cc1nc(-c2ccccc2)sc1NC(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC000821159951 597794885 /nfs/dbraw/zinc/79/48/85/597794885.db2.gz MQFXKWYYQIEHPA-MRXNPFEDSA-N -1 0 329.381 3.062 20 30 EGEDRM C[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1cc(F)c(Cl)cc1Cl ZINC000820113509 598222377 /nfs/dbraw/zinc/22/23/77/598222377.db2.gz AVZBQXUIMCSRHU-JKYUHCHBSA-N -1 0 347.173 3.314 20 30 EGEDRM CC(C)COc1ccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])cc1Cl ZINC000819980140 598223577 /nfs/dbraw/zinc/22/35/77/598223577.db2.gz KHOBYKWHOAVHKU-MRXNPFEDSA-N -1 0 338.791 3.318 20 30 EGEDRM N#CC1(C(=O)NCc2ccc(OCCCC(=O)[O-])cc2)CCCCC1 ZINC000739066375 600481745 /nfs/dbraw/zinc/48/17/45/600481745.db2.gz LAABWPXXXMQXTO-UHFFFAOYSA-N -1 0 344.411 3.020 20 30 EGEDRM C=CCOc1ccccc1C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000327139539 600848854 /nfs/dbraw/zinc/84/88/54/600848854.db2.gz LZLMMYZQMQFZID-CQSZACIVSA-N -1 0 337.375 3.470 20 30 EGEDRM Cc1cc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c(F)cc1F ZINC000832867956 601190211 /nfs/dbraw/zinc/19/02/11/601190211.db2.gz HGIZSXSOTZNTMC-OAHLLOKOSA-N -1 0 331.274 3.128 20 30 EGEDRM C=CCCCCCN(C)S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000825671278 601249707 /nfs/dbraw/zinc/24/97/07/601249707.db2.gz KDTLFMYESFMUJY-RAXLEYEMSA-N -1 0 337.441 3.151 20 30 EGEDRM Cc1cccc(N2CCN([C@H](C(=O)[O-])c3cccc(C#N)c3)CC2)c1C ZINC000832971483 601298025 /nfs/dbraw/zinc/29/80/25/601298025.db2.gz PAGZQJSLCSDFHM-FQEVSTJZSA-N -1 0 349.434 3.123 20 30 EGEDRM N#Cc1cccc([C@H](Nc2ccc3c(c2)OC(F)(F)O3)C(=O)[O-])c1 ZINC000833076552 601300079 /nfs/dbraw/zinc/30/00/79/601300079.db2.gz WVYPRXZMJOSTEO-AWEZNQCLSA-N -1 0 332.262 3.118 20 30 EGEDRM N#Cc1cc(F)ccc1NC(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000833069844 601339352 /nfs/dbraw/zinc/33/93/52/601339352.db2.gz VFMSDFPMZLHCLZ-OAHLLOKOSA-N -1 0 345.305 3.174 20 30 EGEDRM C[C@@H](SCC(=O)Nc1ccccc1S[C@@H](C)CC#N)C(=O)[O-] ZINC000827218586 601345123 /nfs/dbraw/zinc/34/51/23/601345123.db2.gz RIVPVROMJSPVHY-WDEREUQCSA-N -1 0 338.454 3.226 20 30 EGEDRM N#Cc1cccc([C@H](OC(=O)[C@H]2C[C@]23CCc2ccccc23)C(=O)[O-])c1 ZINC000833075085 601355239 /nfs/dbraw/zinc/35/52/39/601355239.db2.gz HJJPRGMCVWBJTN-LQWHRVPQSA-N -1 0 347.370 3.131 20 30 EGEDRM N#Cc1ccccc1/C=C/c1nc(COc2cccc(C(=O)[O-])c2)no1 ZINC000833075098 601367171 /nfs/dbraw/zinc/36/71/71/601367171.db2.gz LMLOSZKDNUSKFN-CMDGGOBGSA-N -1 0 347.330 3.389 20 30 EGEDRM N#Cc1ccc(CCC(=O)N[C@H](C(=O)[O-])c2ccc(Cl)cc2)cc1 ZINC000833073357 601584423 /nfs/dbraw/zinc/58/44/23/601584423.db2.gz ZZQSUAXGGZSDNC-KRWDZBQOSA-N -1 0 342.782 3.086 20 30 EGEDRM N#Cc1cccc([C@H](OC(=O)[C@H]2C[C@@H]2Cc2ccccc2)C(=O)[O-])c1 ZINC000833075539 601604700 /nfs/dbraw/zinc/60/47/00/601604700.db2.gz LPMVCYOPKDOKIY-BZSNNMDCSA-N -1 0 335.359 3.106 20 30 EGEDRM N#Cc1ccc([C@@H](NCc2cc([N+](=O)[O-])ccc2Cl)C(=O)[O-])cc1 ZINC000833071345 601644517 /nfs/dbraw/zinc/64/45/17/601644517.db2.gz FEHHMVCCAGVKRV-OAHLLOKOSA-N -1 0 345.742 3.035 20 30 EGEDRM CC[C@@H](NC(=O)c1ccccc1Sc1ccccc1C#N)C(=O)[O-] ZINC000818308197 601751306 /nfs/dbraw/zinc/75/13/06/601751306.db2.gz WUKVSWHFDPGWCW-CQSZACIVSA-N -1 0 340.404 3.302 20 30 EGEDRM CCCOc1ccc2c(c1)C(=O)/C(=C/c1c[nH]c(C(=O)[O-])c1)CO2 ZINC000829537986 601792801 /nfs/dbraw/zinc/79/28/01/601792801.db2.gz NNNLNRSUPDMEQT-WUXMJOGZSA-N -1 0 327.336 3.160 20 30 EGEDRM CCN(C[C@H](C)C#N)C(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000829641799 601981375 /nfs/dbraw/zinc/98/13/75/601981375.db2.gz ASGJZXQBORZRDA-SECBINFHSA-N -1 0 343.305 3.417 20 30 EGEDRM N#Cc1ccc([C@@H](OC(=O)c2cccc(Cl)c2F)C(=O)[O-])cc1 ZINC000833073058 602100460 /nfs/dbraw/zinc/10/04/60/602100460.db2.gz UZRZLIDSCUJRFF-CQSZACIVSA-N -1 0 333.702 3.333 20 30 EGEDRM Cc1ccc(-c2csc(C(C#N)C(=O)[C@@H](C)CC(=O)[O-])n2)cc1 ZINC000832907210 602183222 /nfs/dbraw/zinc/18/32/22/602183222.db2.gz OXDDCRJSFWEEIL-WCQYABFASA-N -1 0 328.393 3.406 20 30 EGEDRM CC1(C)C(=O)Nc2ccc(C(=O)/C=C/c3ccc(C(=O)[O-])o3)cc21 ZINC000828041527 602302595 /nfs/dbraw/zinc/30/25/95/602302595.db2.gz BOKIBAHLIJOHNN-QPJJXVBHSA-N -1 0 325.320 3.104 20 30 EGEDRM Cc1cc(N(C)Cc2cccc(C#N)c2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832889208 602313909 /nfs/dbraw/zinc/31/39/09/602313909.db2.gz OJIGSBQPVIQIRS-UHFFFAOYSA-N -1 0 325.324 3.110 20 30 EGEDRM CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000826636676 604315880 /nfs/dbraw/zinc/31/58/80/604315880.db2.gz CDHIBIPKOGYAPH-UHFFFAOYSA-N -1 0 330.365 3.114 20 30 EGEDRM CON=Cc1ccc(C(=O)O[C@@H](C)c2cc(C)c(C(=O)[O-])o2)cc1 ZINC000831841733 604541495 /nfs/dbraw/zinc/54/14/95/604541495.db2.gz NXNPCUHRYJAUSO-NSHDSACASA-N -1 0 331.324 3.185 20 30 EGEDRM C=C(C)[C@@H](CC(=O)N(CC(=O)[O-])Cc1ccc(Cl)cc1)OCC ZINC000833367993 604545613 /nfs/dbraw/zinc/54/56/13/604545613.db2.gz YZPPIRSIMDEVRR-OAHLLOKOSA-N -1 0 339.819 3.125 20 30 EGEDRM C=C(C)[C@H](CC(=O)N(CC(=O)[O-])Cc1ccc(Cl)cc1)OCC ZINC000833367992 604545690 /nfs/dbraw/zinc/54/56/90/604545690.db2.gz YZPPIRSIMDEVRR-HNNXBMFYSA-N -1 0 339.819 3.125 20 30 EGEDRM C=C(C)[C@H](CC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F)OCC ZINC000833367691 604555525 /nfs/dbraw/zinc/55/55/25/604555525.db2.gz RGBUJTSTQTZOAO-LBPRGKRZSA-N -1 0 343.326 3.296 20 30 EGEDRM Cc1cc([C@H](C)OC(=O)[C@@H](C)Oc2ccccc2C#N)oc1C(=O)[O-] ZINC000832873872 604563194 /nfs/dbraw/zinc/56/31/94/604563194.db2.gz ITEWAGNVMGVFOA-NWDGAFQWSA-N -1 0 343.335 3.230 20 30 EGEDRM C=CCN(Cc1c(C)nn(CCC(=O)[O-])c1C)Cc1ccccc1F ZINC000833375843 604605006 /nfs/dbraw/zinc/60/50/06/604605006.db2.gz HYPCKMTVOLPFSL-UHFFFAOYSA-N -1 0 345.418 3.302 20 30 EGEDRM CC(N=Nc1c(F)c(F)nc(F)c1F)c1ccc(C(=O)[O-])cc1 ZINC000825804389 604635848 /nfs/dbraw/zinc/63/58/48/604635848.db2.gz IAJPCEIYYDZFGM-UHFFFAOYSA-N -1 0 327.237 3.172 20 30 EGEDRM C#CC[C@H](NC(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1)c1ccccc1 ZINC000833360533 604644421 /nfs/dbraw/zinc/64/44/21/604644421.db2.gz LEVKXNNFVZILTI-KRWDZBQOSA-N -1 0 340.379 3.192 20 30 EGEDRM CN(Cc1ccc(C#N)s1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000833696924 604676193 /nfs/dbraw/zinc/67/61/93/604676193.db2.gz YALMZHZVOBWFDD-AWEZNQCLSA-N -1 0 340.326 3.295 20 30 EGEDRM C=C(C)[C@H](CC(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1)OCC ZINC000833367515 604870462 /nfs/dbraw/zinc/87/04/62/604870462.db2.gz NCYKSXGNLLSJIM-DZGCQCFKSA-N -1 0 343.782 3.092 20 30 EGEDRM C=CCc1ccc(OC(=O)c2ccc(C(=O)[O-])c(F)c2)c(OC)c1 ZINC000825705423 604878148 /nfs/dbraw/zinc/87/81/48/604878148.db2.gz GZSWTNVYYYCHIZ-UHFFFAOYSA-N -1 0 330.311 3.480 20 30 EGEDRM C=CCN(CCc1ccccc1)C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000825681891 604960705 /nfs/dbraw/zinc/96/07/05/604960705.db2.gz KZMUKVJQENODOK-UHFFFAOYSA-N -1 0 327.355 3.395 20 30 EGEDRM Cc1c(C#N)cccc1NC(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000829840386 605216552 /nfs/dbraw/zinc/21/65/52/605216552.db2.gz ZXYSEQORSDPFHB-UHFFFAOYSA-N -1 0 338.367 3.321 20 30 EGEDRM C[C@@]1(C#N)CCCN([C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)C1 ZINC000833550815 605421423 /nfs/dbraw/zinc/42/14/23/605421423.db2.gz DOGWESJTIFZNQJ-HIFRSBDPSA-N -1 0 326.318 3.457 20 30 EGEDRM C[C@@H](Oc1ccc(CNc2ccccc2O[C@@H](C)C#N)cc1)C(=O)[O-] ZINC000833402639 605730088 /nfs/dbraw/zinc/73/00/88/605730088.db2.gz RPBZZSZLOXSLSH-UONOGXRCSA-N -1 0 340.379 3.441 20 30 EGEDRM C[C@@H](Oc1ccc(/C=C\C(=O)c2ccc(C#N)cc2F)cc1)C(=O)[O-] ZINC000794709480 605783440 /nfs/dbraw/zinc/78/34/40/605783440.db2.gz BGBNWRDMMUIDGI-DJTUGOFGSA-N -1 0 339.322 3.445 20 30 EGEDRM O=C([N-]S(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)c(F)c1 ZINC000042233516 1291437209 /nfs/dbraw/zinc/43/72/09/1291437209.db2.gz QIJKZMQCEYZBPI-UHFFFAOYSA-N -1 0 331.727 3.312 20 30 EGEDRM Cc1cc(C)c(OCC(=O)[N-]S(=O)(=O)c2cccs2)c(C)c1 ZINC000042243196 1291437285 /nfs/dbraw/zinc/43/72/85/1291437285.db2.gz KYOIUCGJYRDTRI-UHFFFAOYSA-N -1 0 339.438 3.398 20 30 EGEDRM O=C([N-]S(=O)(=O)c1cccnc1)c1cc2c(s1)CCCCC2 ZINC000042321496 1291440255 /nfs/dbraw/zinc/44/02/55/1291440255.db2.gz AGKKEHUNLBRHMC-UHFFFAOYSA-N -1 0 336.438 3.106 20 30 EGEDRM Cn1cc(C(=O)[N-]S(=O)(=O)C=Cc2ccccc2)c2ccccc21 ZINC000042320051 1291440745 /nfs/dbraw/zinc/44/07/45/1291440745.db2.gz PSFRSPCSJMQYED-VAWYXSNFSA-N -1 0 340.404 3.484 20 30 EGEDRM Cc1ccc(O[C@H](C)C(=O)[N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000046927527 1291556346 /nfs/dbraw/zinc/55/63/46/1291556346.db2.gz WEPJCSRFSWKHIQ-CQSZACIVSA-N -1 0 333.409 3.416 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2cc(F)ccc2F)cc1C ZINC000048473794 1291607050 /nfs/dbraw/zinc/60/70/50/1291607050.db2.gz PDLTUUWEJDREBK-UHFFFAOYSA-N -1 0 325.336 3.275 20 30 EGEDRM Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccccc2Br)o1 ZINC000048519625 1291609443 /nfs/dbraw/zinc/60/94/43/1291609443.db2.gz QDGNLNUTYJQFPE-UHFFFAOYSA-N -1 0 344.186 3.044 20 30 EGEDRM CC(C)c1noc(CCC(=O)[N-]S(=O)(=O)C=Cc2ccccc2)n1 ZINC000048530741 1291609951 /nfs/dbraw/zinc/60/99/51/1291609951.db2.gz XWIVHDPXOKQQKT-KHPPLWFESA-N -1 0 349.412 3.083 20 30 EGEDRM CCc1ccc(C(=O)[N-]S(=O)(=O)Cc2ccc(F)cc2)s1 ZINC000048568246 1291611368 /nfs/dbraw/zinc/61/13/68/1291611368.db2.gz DLSACTNUVXWDIS-UHFFFAOYSA-N -1 0 327.402 3.284 20 30 EGEDRM CCc1ccc(OCC(=O)[N-]S(=O)(=O)c2ccccc2F)cc1 ZINC000048587482 1291612586 /nfs/dbraw/zinc/61/25/86/1291612586.db2.gz KYYOQYACUIFFOL-UHFFFAOYSA-N -1 0 337.372 3.112 20 30 EGEDRM Cc1ccccc1CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000048612392 1291613153 /nfs/dbraw/zinc/61/31/53/1291613153.db2.gz LSHQCIJAZDJAGB-UHFFFAOYSA-N -1 0 329.421 3.372 20 30 EGEDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)c1ccc(Br)o1 ZINC000060495066 1291926090 /nfs/dbraw/zinc/92/60/90/1291926090.db2.gz GFYNQTYCCJSMMF-UHFFFAOYSA-N -1 0 344.186 3.044 20 30 EGEDRM Cn1cc(CC(=O)[N-]S(=O)(=O)c2ccccc2F)c2ccccc21 ZINC000062674897 1291997114 /nfs/dbraw/zinc/99/71/14/1291997114.db2.gz RTGUOUCEUJSBQY-UHFFFAOYSA-N -1 0 346.383 3.205 20 30 EGEDRM CC(C)CCSCC(=O)[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC000066003399 1292103905 /nfs/dbraw/zinc/10/39/05/1292103905.db2.gz GLRMSRWOUPHFQK-UHFFFAOYSA-N -1 0 333.450 3.391 20 30 EGEDRM C[C@H](Cc1cccc(F)c1)C(=O)[N-]S(=O)(=O)c1cccs1 ZINC000069282386 1292238221 /nfs/dbraw/zinc/23/82/21/1292238221.db2.gz BSDKQOSLHQSHOQ-SNVBAGLBSA-N -1 0 327.402 3.411 20 30 EGEDRM C[C@@H]1CCCC[C@@H]1OCC(=O)[N-]S(=O)(=O)c1ccccc1F ZINC000073087392 1292305191 /nfs/dbraw/zinc/30/51/91/1292305191.db2.gz ZCMFXBWXABUUMG-YPMHNXCESA-N -1 0 329.393 3.066 20 30 EGEDRM C[C@@H]1CC[C@H](CCC(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2)O1 ZINC000076755783 1292440099 /nfs/dbraw/zinc/44/00/99/1292440099.db2.gz XFCZSSMLUNUMAL-ZYHUDNBSSA-N -1 0 331.821 3.333 20 30 EGEDRM CC(=O)Nc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCC[C@H](C)C2)cc1 ZINC000076755987 1292440277 /nfs/dbraw/zinc/44/02/77/1292440277.db2.gz NKFNJLOYPAAGDJ-AAEUAGOBSA-N -1 0 338.429 3.117 20 30 EGEDRM C[C@@](O)(C/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccsc1 ZINC000077490335 1292469018 /nfs/dbraw/zinc/46/90/18/1292469018.db2.gz UPRYJPBKXBWKLD-PXWILEGGSA-N -1 0 340.788 3.342 20 30 EGEDRM CCOc1ccc(S(=O)(=O)[N-]C(=O)c2cscc2C)cc1 ZINC000079137417 1292542893 /nfs/dbraw/zinc/54/28/93/1292542893.db2.gz QDJGTPDAGFSKLD-UHFFFAOYSA-N -1 0 325.411 3.149 20 30 EGEDRM Cc1cc(C(=O)[N-]S(=O)(=O)Cc2ccccc2Cl)c(C)o1 ZINC000083791645 1292690929 /nfs/dbraw/zinc/69/09/29/1292690929.db2.gz IIRKVQFUYWEPGG-UHFFFAOYSA-N -1 0 327.789 3.384 20 30 EGEDRM O=C(Cc1cccc(Br)c1)[N-]S(=O)(=O)C1CCCC1 ZINC000086055717 1292728402 /nfs/dbraw/zinc/72/84/02/1292728402.db2.gz YLTZZTSRPKRDIC-UHFFFAOYSA-N -1 0 346.246 3.221 20 30 EGEDRM CC(C)Oc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(F)cc2)cc1 ZINC000091135504 1292822721 /nfs/dbraw/zinc/82/27/21/1292822721.db2.gz WEEMHOABIKCGFA-UHFFFAOYSA-N -1 0 337.372 3.306 20 30 EGEDRM CCCS(=O)(=O)[N-]C(=O)CN(Cc1ccccc1)c1ccccc1 ZINC000091443997 1292836102 /nfs/dbraw/zinc/83/61/02/1292836102.db2.gz SUQRIDCRMCEXTF-UHFFFAOYSA-N -1 0 346.452 3.390 20 30 EGEDRM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])c1cscn1 ZINC000103330089 1293001645 /nfs/dbraw/zinc/00/16/45/1293001645.db2.gz OENIPLHTDBYVOH-SECBINFHSA-N -1 0 349.799 3.075 20 30 EGEDRM CCCOc1cccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)c1 ZINC000105262173 1293030469 /nfs/dbraw/zinc/03/04/69/1293030469.db2.gz IWMQJNGQFYFGPQ-QGZVFWFLSA-N -1 0 328.412 3.247 20 30 EGEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2coc3ccccc23)cc1 ZINC000113653911 1293153925 /nfs/dbraw/zinc/15/39/25/1293153925.db2.gz FXXJCYXHSGFJMM-INIZCTEOSA-N -1 0 348.358 3.080 20 30 EGEDRM C=CCC1(C(=O)[N-]S(=O)(=O)c2cc(F)c(C)cc2F)CCCC1 ZINC000835226228 1293237819 /nfs/dbraw/zinc/23/78/19/1293237819.db2.gz YBWLBWDDSYOINJ-UHFFFAOYSA-N -1 0 343.395 3.215 20 30 EGEDRM CCC(CC)Oc1ccc(C([O-])=C(C#N)C(=O)c2nccn2C)cc1 ZINC000835236346 1293239472 /nfs/dbraw/zinc/23/94/72/1293239472.db2.gz ZDMRAWULGXWVIS-INIZCTEOSA-N -1 0 339.395 3.193 20 30 EGEDRM C=CCC1(C(=O)[N-]S(=O)(=O)Cc2ccc(F)cc2C)CCCC1 ZINC000835345460 1293269714 /nfs/dbraw/zinc/26/97/14/1293269714.db2.gz KOLBPKLGZJNKFU-UHFFFAOYSA-N -1 0 339.432 3.217 20 30 EGEDRM O=C(C/N=C/c1cc(Br)ccc1O)NC1CCCCC1 ZINC000119662042 1293281729 /nfs/dbraw/zinc/28/17/29/1293281729.db2.gz HSYBHSIIWSAKRD-RQZCQDPDSA-N -1 0 339.233 3.023 20 30 EGEDRM C=CCC(CC=C)C(=O)[N-]S(=O)(=O)[C@@H]1CCCc2ccccc21 ZINC000835591086 1293324168 /nfs/dbraw/zinc/32/41/68/1293324168.db2.gz QLMXZHKMXIIFPB-QGZVFWFLSA-N -1 0 333.453 3.278 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccn(C2CCCC2)n1 ZINC000121460967 1293372321 /nfs/dbraw/zinc/37/23/21/1293372321.db2.gz ALXKOKGKKFNJOZ-OAHLLOKOSA-N -1 0 330.432 3.017 20 30 EGEDRM C[C@H](Sc1ccccc1Cl)C(=O)C(C#N)=C([O-])c1nccn1C ZINC000123210042 1293436676 /nfs/dbraw/zinc/43/66/76/1293436676.db2.gz PLTMLCFMXMFKDK-WDEREUQCSA-N -1 0 347.827 3.146 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2cccc(OC3CCCC3)c2)C(=O)O1 ZINC000125785088 1293516884 /nfs/dbraw/zinc/51/68/84/1293516884.db2.gz NTYFKUQCRWGTGF-JBVUFVISSA-N -1 0 340.375 3.236 20 30 EGEDRM C=CCC(CC=C)C(=O)[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000151353859 1293921253 /nfs/dbraw/zinc/92/12/53/1293921253.db2.gz AXHISTFEMYKOGO-UHFFFAOYSA-N -1 0 331.437 3.188 20 30 EGEDRM Cc1c(C([O-])=C(C#N)C(=O)NC2CCCCC2)cnn1C1CCCC1 ZINC000153282279 1294007038 /nfs/dbraw/zinc/00/70/38/1294007038.db2.gz PDDDFWQRHGPNEN-INIZCTEOSA-N -1 0 342.443 3.078 20 30 EGEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc(CCC(F)(F)F)cc1 ZINC000156228276 1294133476 /nfs/dbraw/zinc/13/34/76/1294133476.db2.gz KNCAZXWMZPVXMZ-CYBMUJFWSA-N -1 0 349.312 3.120 20 30 EGEDRM Cc1c(C(=O)/C=C/c2cc([O-])ccc2[N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000157319865 1294174359 /nfs/dbraw/zinc/17/43/59/1294174359.db2.gz MUHLXFCUQRAROZ-VMPITWQZSA-N -1 0 328.280 3.413 20 30 EGEDRM O=C(/C=C/c1ccc([N+](=O)[O-])c([O-])c1)c1cnn(Cc2ccccc2)c1 ZINC000157330781 1294174678 /nfs/dbraw/zinc/17/46/78/1294174678.db2.gz PPWUZTUHCMOISQ-VQHVLOKHSA-N -1 0 349.346 3.441 20 30 EGEDRM C[C@@H](CC(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1)C1CCCCC1 ZINC000171339025 1294402910 /nfs/dbraw/zinc/40/29/10/1294402910.db2.gz CCUUNAUEMZYBLW-AWEZNQCLSA-N -1 0 348.468 3.111 20 30 EGEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1ccc(-c2ccccc2)[nH]1 ZINC000171796916 1294417688 /nfs/dbraw/zinc/41/76/88/1294417688.db2.gz YUJGSIWUEQCCOO-INIZCTEOSA-N -1 0 335.407 3.453 20 30 EGEDRM COc1ccc(S[C@H](C)C(=O)Nc2cc(C#N)ccc2[O-])cc1 ZINC000176815901 1294634852 /nfs/dbraw/zinc/63/48/52/1294634852.db2.gz KYLWIQRLAMTHDE-LLVKDONJSA-N -1 0 328.393 3.392 20 30 EGEDRM CCOc1ccc(C([O-])=C(C#N)C(=O)c2c(C)[nH]c3ccccc32)cn1 ZINC000179967938 1294845431 /nfs/dbraw/zinc/84/54/31/1294845431.db2.gz FSYGNHFNWQUWOE-HNNXBMFYSA-N -1 0 347.374 3.475 20 30 EGEDRM CC1CCC2(CC1)OC[C@H](C/N=C/c1cc([N+](=O)[O-])ccc1[O-])O2 ZINC000182236526 1295028945 /nfs/dbraw/zinc/02/89/45/1295028945.db2.gz WLENSVSOUYEXOE-FVXRMPEHSA-N -1 0 334.372 3.041 20 30 EGEDRM COc1ccc(/C=C2/Cc3cc(O)ccc3C2=O)c(OC)c1OC ZINC000187230187 1295375823 /nfs/dbraw/zinc/37/58/23/1295375823.db2.gz VBPCESHHLMVWEZ-JYRVWZFOSA-N -1 0 326.348 3.240 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)CCc2cccc3ccccc32)CC1 ZINC000870371473 1295837592 /nfs/dbraw/zinc/83/75/92/1295837592.db2.gz ZBUQJPPLZVHPTI-UHFFFAOYSA-N -1 0 343.448 3.327 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1oc2c(c1C)C(=O)CCC2 ZINC000193367303 1295856289 /nfs/dbraw/zinc/85/62/89/1295856289.db2.gz BSWPNBGBFAOWOW-ZDUSSCGKSA-N -1 0 344.411 3.126 20 30 EGEDRM CCCCCCCC(=O)[N-]S(=O)(=O)c1cnn(C2CCCC2)c1 ZINC000870643163 1295997697 /nfs/dbraw/zinc/99/76/97/1295997697.db2.gz YFULLFWALNFROB-UHFFFAOYSA-N -1 0 341.477 3.164 20 30 EGEDRM COc1ccccc1/C=C\C(=O)c1ccc(OC)c(CC(=O)[O-])c1 ZINC000213553689 1296110328 /nfs/dbraw/zinc/11/03/28/1296110328.db2.gz MQIZOFKLJQIOQM-CLFYSBASSA-N -1 0 326.348 3.227 20 30 EGEDRM COc1cc(/C=C2\Cc3ccc(F)cc3C2=O)cc([N+](=O)[O-])c1[O-] ZINC000255066464 1296495348 /nfs/dbraw/zinc/49/53/48/1296495348.db2.gz DFRBKNAYNKIPHI-NYYWCZLTSA-N -1 0 329.283 3.271 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])c(/C=N\CC2(c3ccccc3)CCOCC2)c1 ZINC000255607147 1296552311 /nfs/dbraw/zinc/55/23/11/1296552311.db2.gz SHQOJFMZLDWMBD-MOSHPQCFSA-N -1 0 340.379 3.468 20 30 EGEDRM CC[C@H](C)Oc1cccc([N-]S(=O)(=O)c2cccc(CC#N)c2)n1 ZINC000872009995 1296650928 /nfs/dbraw/zinc/65/09/28/1296650928.db2.gz DJNUXODIZAEEPB-ZDUSSCGKSA-N -1 0 345.424 3.126 20 30 EGEDRM CCOc1ccc(S(=O)(=O)[N-]c2cccnc2C#N)cc1C(C)C ZINC000872010228 1296652031 /nfs/dbraw/zinc/65/20/31/1296652031.db2.gz KGTVPYGTZZNJSI-UHFFFAOYSA-N -1 0 345.424 3.276 20 30 EGEDRM C=CCC[C@@H](NC(=O)c1sc(-c2ccc(C)o2)nc1C)C(=O)[O-] ZINC000263014411 1296655916 /nfs/dbraw/zinc/65/59/16/1296655916.db2.gz XLIAZBAIFZMBHL-LLVKDONJSA-N -1 0 334.397 3.169 20 30 EGEDRM Cc1nn(C)c2nc(Cl)cc(N=NC3CC[C@H](C(=O)[O-])[C@@H](C)C3)c12 ZINC000872422065 1296951340 /nfs/dbraw/zinc/95/13/40/1296951340.db2.gz FVMQAIALEPFMNP-KWQFWETISA-N -1 0 349.822 3.219 20 30 EGEDRM C#CC[C@H](NC(=O)[C@](C)(CC(=O)[O-])c1ccsc1)c1ccccc1 ZINC000872851562 1297140525 /nfs/dbraw/zinc/14/05/25/1297140525.db2.gz CQROHXYPGDLEFA-QFBILLFUSA-N -1 0 341.432 3.361 20 30 EGEDRM CSc1ccc(C=Nn2c(=O)c3ccccc3[n-]c2=S)cc1 ZINC000725858928 1298377804 /nfs/dbraw/zinc/37/78/04/1298377804.db2.gz OPVFVIZROBWBEG-UHFFFAOYSA-N -1 0 327.434 3.289 20 30 EGEDRM CC(C)c1nc(C#N)c(N=NC(C)c2ccc(CC(=O)[O-])cc2)o1 ZINC000745612070 1298430582 /nfs/dbraw/zinc/43/05/82/1298430582.db2.gz MYHSMWLUWBTACQ-UHFFFAOYSA-N -1 0 326.356 3.133 20 30 EGEDRM [O-]c1c(Cl)cc(Cl)cc1C=NNC(=S)NCC(F)(F)F ZINC000746494623 1298596238 /nfs/dbraw/zinc/59/62/38/1298596238.db2.gz FKHRTPRGFNRBEY-UHFFFAOYSA-N -1 0 346.161 3.059 20 30 EGEDRM C[C@H](Oc1cccc(C=NNCc2ccccc2Cl)c1)C(=O)[O-] ZINC000746680093 1298640525 /nfs/dbraw/zinc/64/05/25/1298640525.db2.gz PSPIYPJUGMHFGR-LBPRGKRZSA-N -1 0 332.787 3.316 20 30 EGEDRM Cc1ccc([N+](=O)[O-])cc1NN=Cc1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000747060129 1298718429 /nfs/dbraw/zinc/71/84/29/1298718429.db2.gz JAEPOBHGXKSRSW-GFCCVEGCSA-N -1 0 343.339 3.201 20 30 EGEDRM CSCC(=Nn1c(=O)c2ccccc2[n-]c1=S)c1ccccc1 ZINC000749444809 1299216049 /nfs/dbraw/zinc/21/60/49/1299216049.db2.gz WTOJWLACRGFERF-UHFFFAOYSA-N -1 0 341.461 3.301 20 30 EGEDRM CC(C)c1ccccc1NC(=S)NN=Cc1ccc(C(=O)[O-])[nH]1 ZINC000749815143 1299279374 /nfs/dbraw/zinc/27/93/74/1299279374.db2.gz JWRCUXHRSZISGL-UHFFFAOYSA-N -1 0 330.413 3.157 20 30 EGEDRM O=C(/C=C\c1cc(F)c([O-])c(F)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000749893033 1299294614 /nfs/dbraw/zinc/29/46/14/1299294614.db2.gz XCDODFLLKHLSND-KTAJNNJTSA-N -1 0 329.302 3.451 20 30 EGEDRM O=[N+]([O-])c1cc(CN=Nc2nc(C(F)(F)F)cs2)ccc1[O-] ZINC000755905099 1300413678 /nfs/dbraw/zinc/41/36/78/1300413678.db2.gz SLNGBQFJNBFWLJ-UHFFFAOYSA-N -1 0 332.263 3.222 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@H]2CCCC(C)(C)C2)n1 ZINC000756271731 1300461257 /nfs/dbraw/zinc/46/12/57/1300461257.db2.gz XGCNJPFYUXVNLM-STQMWFEESA-N -1 0 334.441 3.387 20 30 EGEDRM CC(N=Nc1ccc(Cl)cc1[N+](=O)[O-])c1cc(C(=O)[O-])ccc1O ZINC000757462198 1300671386 /nfs/dbraw/zinc/67/13/86/1300671386.db2.gz YTVHXJMNBQCBPN-UHFFFAOYSA-N -1 0 349.730 3.488 20 30 EGEDRM COc1cc2c(cc1/C=C1\Oc3cc(O)cc(C)c3C1=O)OCO2 ZINC000758929563 1300982192 /nfs/dbraw/zinc/98/21/92/1300982192.db2.gz CXWYTQJVVMHVBB-BNCCVWRVSA-N -1 0 326.304 3.054 20 30 EGEDRM Cn1nc(C(F)(F)F)c(/C=C\C(=O)c2cc(O)ccc2O)c1Cl ZINC000758931049 1300982710 /nfs/dbraw/zinc/98/27/10/1300982710.db2.gz JZWDRIMSENUYCZ-HYXAFXHYSA-N -1 0 346.692 3.400 20 30 EGEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)CCC1CCC1 ZINC000759230727 1301046725 /nfs/dbraw/zinc/04/67/25/1301046725.db2.gz HEGSMUWYIBEZSB-AWEZNQCLSA-N -1 0 344.411 3.280 20 30 EGEDRM COc1cccc2c1C/C(=C/c1ccc(OCCC(=O)[O-])cc1)C2=O ZINC000759665696 1301137678 /nfs/dbraw/zinc/13/76/78/1301137678.db2.gz QITCLVIZQRYSPC-KAMYIIQDSA-N -1 0 338.359 3.371 20 30 EGEDRM COc1ccc(C(=O)Nc2cc(C#N)ccc2[O-])c(Br)c1 ZINC000759717914 1301147938 /nfs/dbraw/zinc/14/79/38/1301147938.db2.gz MBYDHKBHNCTYHF-UHFFFAOYSA-N -1 0 347.168 3.287 20 30 EGEDRM CN(C)[C@H](C(=O)Nc1cc(C#N)ccc1[O-])c1cccc(Cl)c1 ZINC000759720390 1301148220 /nfs/dbraw/zinc/14/82/20/1301148220.db2.gz CKVCJBPZEDGRAY-INIZCTEOSA-N -1 0 329.787 3.159 20 30 EGEDRM COc1cc(F)c(C(=O)/C=C/c2ccc([N+](=O)[O-])c([O-])c2)cc1OC ZINC000760270242 1301242377 /nfs/dbraw/zinc/24/23/77/1301242377.db2.gz NPQYXTXKTGILDE-GQCTYLIASA-N -1 0 347.298 3.353 20 30 EGEDRM CC(C)(C(=O)Nc1cc(C#N)ccc1[O-])c1ccc([N+](=O)[O-])cc1F ZINC000762624682 1301714975 /nfs/dbraw/zinc/71/49/75/1301714975.db2.gz CVAFRLMCGJKKFV-UHFFFAOYSA-N -1 0 343.314 3.227 20 30 EGEDRM O=C([O-])c1ccc2c(C=NNc3cc(F)c(F)cc3F)[nH]nc2c1 ZINC000765574711 1302284576 /nfs/dbraw/zinc/28/45/76/1302284576.db2.gz BLGSDBZCTQRWQB-UHFFFAOYSA-N -1 0 334.257 3.124 20 30 EGEDRM N#Cc1cccc([N-]S(=O)(=O)c2c(Cl)ccnc2Cl)c1 ZINC000766891655 1302540455 /nfs/dbraw/zinc/54/04/55/1302540455.db2.gz IVYYKORCMMEDJP-UHFFFAOYSA-N -1 0 328.180 3.061 20 30 EGEDRM [O-]c1c(Br)cc(Cl)cc1C=NOC[C@@H]1CCOC1 ZINC000884453839 1302863753 /nfs/dbraw/zinc/86/37/53/1302863753.db2.gz ZMODOTDDVXQQJE-MRVPVSSYSA-N -1 0 334.597 3.195 20 30 EGEDRM CC(C)c1cccc2c1OCCCC2=NNc1[n-]cnc2ncnc1-2 ZINC000768483869 1302916382 /nfs/dbraw/zinc/91/63/82/1302916382.db2.gz QQPNLLLHABCKHP-UHFFFAOYSA-N -1 0 336.399 3.465 20 30 EGEDRM C[C@H](Oc1cccc(C(=O)/C=C\c2ccc(F)c(C#N)c2)c1)C(=O)[O-] ZINC000770574778 1303288114 /nfs/dbraw/zinc/28/81/14/1303288114.db2.gz ZTWFVOUIKWXERZ-VFFGBVLKSA-N -1 0 339.322 3.445 20 30 EGEDRM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])c1ccnc(N(C)C)c1 ZINC000773958015 1303756896 /nfs/dbraw/zinc/75/68/96/1303756896.db2.gz XFVZKPBDSXKMOY-OAHLLOKOSA-N -1 0 346.390 3.143 20 30 EGEDRM CCCCCCCC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1cnn(C)c1 ZINC000775234937 1303928356 /nfs/dbraw/zinc/92/83/56/1303928356.db2.gz QVTRVBUQTQUUPP-CQSZACIVSA-N -1 0 343.493 3.002 20 30 EGEDRM CC(C)[C@@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)CC(C)(C)C#N ZINC000776139548 1304101315 /nfs/dbraw/zinc/10/13/15/1304101315.db2.gz SLTYSKNQBNGIBV-OAHLLOKOSA-N -1 0 342.505 3.225 20 30 EGEDRM C[C@@H](Oc1cccc(/C=C\C(=O)c2ccc(C#N)c(F)c2)c1)C(=O)[O-] ZINC000776726787 1304188194 /nfs/dbraw/zinc/18/81/94/1304188194.db2.gz NMRVZHWRCVNYEB-VVEJJEBESA-N -1 0 339.322 3.445 20 30 EGEDRM O=C(/C=C\c1ccc([N+](=O)[O-])cc1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000777918645 1304366407 /nfs/dbraw/zinc/36/64/07/1304366407.db2.gz CVHJVLJXPFOYLD-DJWKRKHSSA-N -1 0 332.243 3.244 20 30 EGEDRM O=C([O-])c1cc(/C=C/C(=O)c2c(Cl)nc3sccn32)ccc1O ZINC000779357689 1304561235 /nfs/dbraw/zinc/56/12/35/1304561235.db2.gz BXQBQMRYBJWZGP-DUXPYHPUSA-N -1 0 348.767 3.349 20 30 EGEDRM COc1cc(C=NN[C@H]2CCCC2(C)C)ccc1OCCC(=O)[O-] ZINC000782299718 1304950429 /nfs/dbraw/zinc/95/04/29/1304950429.db2.gz JCGDIIAJLLAMEF-INIZCTEOSA-N -1 0 334.416 3.051 20 30 EGEDRM COc1cc(C=NN[C@H](C)c2ccccc2)ccc1OCCC(=O)[O-] ZINC000783830681 1305149840 /nfs/dbraw/zinc/14/98/40/1305149840.db2.gz BOHRKHPUZJUOCX-CQSZACIVSA-N -1 0 342.395 3.233 20 30 EGEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)C(C)(C)C(C)C ZINC000784491662 1305250687 /nfs/dbraw/zinc/25/06/87/1305250687.db2.gz GMSXAEHCSROTFU-ZDUSSCGKSA-N -1 0 346.427 3.382 20 30 EGEDRM Cc1ccnc(Oc2ccc(C([O-])=C(C#N)C(=O)N3CCCC3)cc2)c1 ZINC000892458245 1305384680 /nfs/dbraw/zinc/38/46/80/1305384680.db2.gz WHRZZVLCCPPUMJ-QGZVFWFLSA-N -1 0 349.390 3.127 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(C2CC2)nc1C ZINC000892465805 1305386779 /nfs/dbraw/zinc/38/67/79/1305386779.db2.gz ULQHUJLKJUZAMW-MRXNPFEDSA-N -1 0 327.428 3.286 20 30 EGEDRM CCc1ccc(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)s1 ZINC000786549495 1305594880 /nfs/dbraw/zinc/59/48/80/1305594880.db2.gz REJGWSGZTPACRB-OAHLLOKOSA-N -1 0 326.421 3.258 20 30 EGEDRM COc1csc(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)c1 ZINC000786546693 1305595159 /nfs/dbraw/zinc/59/51/59/1305595159.db2.gz KDDZMOHKXZYTFK-CYBMUJFWSA-N -1 0 348.811 3.049 20 30 EGEDRM Cc1cc(F)ccc1C([O-])=C(C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC000786573035 1305602958 /nfs/dbraw/zinc/60/29/58/1305602958.db2.gz YWIOVQCZLRRDPO-AWEZNQCLSA-N -1 0 346.308 3.051 20 30 EGEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1cnn(C(C)C)c1)c1ccccc1 ZINC000787034130 1305678314 /nfs/dbraw/zinc/67/83/14/1305678314.db2.gz JPVFARXXQVUPME-SJORKVTESA-N -1 0 338.411 3.054 20 30 EGEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1cc(C)n(C)c1C)c1ccccc1 ZINC000787047855 1305684214 /nfs/dbraw/zinc/68/42/14/1305684214.db2.gz YSYAFZFRTJQJKB-QZTJIDSGSA-N -1 0 337.423 3.232 20 30 EGEDRM N#Cc1cc(Cl)ncc1[N-]S(=O)(=O)Cc1ccccc1Cl ZINC000788205646 1305894753 /nfs/dbraw/zinc/89/47/53/1305894753.db2.gz PXCRUQNPPTWOBP-UHFFFAOYSA-N -1 0 342.207 3.202 20 30 EGEDRM Cc1sc(Br)nc1C(=O)Nc1cc(C#N)ccc1[O-] ZINC000788306718 1305919119 /nfs/dbraw/zinc/91/91/19/1305919119.db2.gz UEPIGBGSIPFEKT-UHFFFAOYSA-N -1 0 338.186 3.044 20 30 EGEDRM C=CCS(=O)(=O)[N-]C(=O)c1ccc(O[C@H](C)c2ccccc2)cc1 ZINC000788369685 1305929359 /nfs/dbraw/zinc/92/93/59/1305929359.db2.gz ZBNLDAISBVLGNP-CQSZACIVSA-N -1 0 345.420 3.072 20 30 EGEDRM N#Cc1cc(Cl)nc(N=NC2CC[C@H](C(=O)[O-])c3ccccc32)c1 ZINC000789035213 1306072257 /nfs/dbraw/zinc/07/22/57/1306072257.db2.gz YVITYJVMCNMZJQ-ZDUSSCGKSA-N -1 0 340.770 3.385 20 30 EGEDRM CC(=NNc1cccc(F)c1[N+](=O)[O-])c1cc([N+](=O)[O-])ccc1[O-] ZINC000790308426 1306296385 /nfs/dbraw/zinc/29/63/85/1306296385.db2.gz AODNAVRSEARMEV-UHFFFAOYSA-N -1 0 334.263 3.184 20 30 EGEDRM C[C@]1(C#N)CCCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000894446580 1308892821 /nfs/dbraw/zinc/89/28/21/1308892821.db2.gz VYAJLPPAZKFRDK-CQSZACIVSA-N -1 0 327.197 3.419 20 30 EGEDRM N#Cc1c([N-]S(=O)(=O)C=Cc2cccc(Cl)c2)n[nH]c1C1CC1 ZINC000792660638 1309204406 /nfs/dbraw/zinc/20/44/06/1309204406.db2.gz HHMOQGXQAIBKON-VOTSOKGWSA-N -1 0 348.815 3.225 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)CCc2cccc(C)c2)n1 ZINC000792742892 1309221197 /nfs/dbraw/zinc/22/11/97/1309221197.db2.gz SBTSQJWSPKCSEJ-HNNXBMFYSA-N -1 0 342.420 3.112 20 30 EGEDRM CC[C@@H](C)CON=Cc1cc(Br)ccc1OCC(=O)[O-] ZINC000793159172 1309307347 /nfs/dbraw/zinc/30/73/47/1309307347.db2.gz LHIPRTVVFBYKSV-SNVBAGLBSA-N -1 0 344.205 3.309 20 30 EGEDRM CCCCCC[C@@](C)(CC)C(=O)[N-]S(=O)(=O)CC1(C#N)CC1 ZINC000793200645 1309316111 /nfs/dbraw/zinc/31/61/11/1309316111.db2.gz CXQJJASOOZVWGF-OAHLLOKOSA-N -1 0 328.478 3.123 20 30 EGEDRM C=CCN(CCC#N)Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-] ZINC000793566782 1309406389 /nfs/dbraw/zinc/40/63/89/1309406389.db2.gz JHZALFBAVRRKJI-UHFFFAOYSA-N -1 0 336.391 3.230 20 30 EGEDRM COc1cc2c(cc1OC)C(=O)/C(=C/c1cc([O-])ccc1[N+](=O)[O-])C2 ZINC000794961312 1309633507 /nfs/dbraw/zinc/63/35/07/1309633507.db2.gz NCMOJJCWZUIGOC-WUXMJOGZSA-N -1 0 341.319 3.140 20 30 EGEDRM CC[C@@H]1CCCC[C@@H]1C(=O)OCC([O-])=C(C#N)c1nc(C)cs1 ZINC000796318928 1309965203 /nfs/dbraw/zinc/96/52/03/1309965203.db2.gz BMOINOHSMPOCCG-HZSPNIEDSA-N -1 0 334.441 3.387 20 30 EGEDRM CC[C@H]1CC[C@@H](C)CC1=NNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000797402290 1310183667 /nfs/dbraw/zinc/18/36/67/1310183667.db2.gz YJNJHWPACYEOCH-NEPJUHHUSA-N -1 0 339.417 3.075 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)NCC1(c2ccc(Cl)cc2)CCC1 ZINC000797718795 1310236412 /nfs/dbraw/zinc/23/64/12/1310236412.db2.gz UNXXGFYDQNXNSJ-UHFFFAOYSA-N -1 0 336.819 3.044 20 30 EGEDRM CCCc1ccc(S(=O)(=O)[N-]c2cnc(Cl)cc2C#N)cc1 ZINC000798210984 1310318306 /nfs/dbraw/zinc/31/83/06/1310318306.db2.gz SEWKERISXQOCHX-UHFFFAOYSA-N -1 0 335.816 3.360 20 30 EGEDRM N#Cc1cc([N-]C(=O)c2cc(C3CC3)no2)c(Cl)c([N+](=O)[O-])c1 ZINC000799352443 1310535081 /nfs/dbraw/zinc/53/50/81/1310535081.db2.gz HTFNFWSGAFGOMS-UHFFFAOYSA-N -1 0 332.703 3.238 20 30 EGEDRM Cc1nc(-c2ccc(C([O-])=C(C#N)C(=O)N3CCCC3)cc2)cs1 ZINC000799599628 1310586673 /nfs/dbraw/zinc/58/66/73/1310586673.db2.gz DHWMBMAQDLDMEJ-OAHLLOKOSA-N -1 0 339.420 3.063 20 30 EGEDRM CCCc1nc(C([O-])=C(C#N)C(=O)N[C@@H](CC)c2ccccc2)co1 ZINC000802218355 1316990246 /nfs/dbraw/zinc/99/02/46/1316990246.db2.gz BVLQXXMJLKLDLP-GJZGRUSLSA-N -1 0 339.395 3.217 20 30 EGEDRM Cc1ccc(/C=C2/S/C(=N/C3CCCC3)NC2=O)cc1C(=O)[O-] ZINC000899341062 1316996344 /nfs/dbraw/zinc/99/63/44/1316996344.db2.gz SILJDHQOZLIIJY-NTEUORMPSA-N -1 0 330.409 3.196 20 30 EGEDRM Cc1nc(C(C)(C)C)sc1C(=O)/C=C\c1cc(C(=O)[O-])nn1C ZINC000899347958 1316997483 /nfs/dbraw/zinc/99/74/83/1316997483.db2.gz LHJFZEIHJLDMPV-SREVYHEPSA-N -1 0 333.413 3.077 20 30 EGEDRM CCc1onc(C)c1/C=C/C(=O)c1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000899351028 1316998975 /nfs/dbraw/zinc/99/89/75/1316998975.db2.gz XIGKCJJSNNQHIS-BCPZQOPPSA-N -1 0 329.352 3.293 20 30 EGEDRM CC[C@@](C)(C#N)C(=O)[N-]OCc1ccc(F)cc1Br ZINC000803154575 1317086836 /nfs/dbraw/zinc/08/68/36/1317086836.db2.gz XKDPPAORHLEVGB-ZDUSSCGKSA-N -1 0 329.169 3.076 20 30 EGEDRM Cc1nn(C)c2ncc(/C=C3/C[C@@H](C(=O)[O-])c4ccccc4C3=O)cc12 ZINC000806562355 1317501957 /nfs/dbraw/zinc/50/19/57/1317501957.db2.gz JLOLMKFIHNWRMF-KYTCBBFDSA-N -1 0 347.374 3.115 20 30 EGEDRM O=C([O-])CCOc1ccc(/C=C2\Cc3nc(Cl)ccc3C2=O)cc1 ZINC000806579616 1317506084 /nfs/dbraw/zinc/50/60/84/1317506084.db2.gz MDVFODNPGZQFRE-FMIVXFBMSA-N -1 0 343.766 3.411 20 30 EGEDRM CC(C)(C)c1[n-]n(CC2(Br)CC2)c(=O)c1CCC#N ZINC000902287542 1317559257 /nfs/dbraw/zinc/55/92/57/1317559257.db2.gz VXMREGQEFLNHAR-UHFFFAOYSA-N -1 0 326.238 3.270 20 30 EGEDRM C[C@H](Oc1cccc(CN=Nc2nccnc2C2CCC2)c1)C(=O)[O-] ZINC000807991905 1317608847 /nfs/dbraw/zinc/60/88/47/1317608847.db2.gz VXKGDVSWILHOSY-LBPRGKRZSA-N -1 0 340.383 3.042 20 30 EGEDRM Cc1cc(C#N)ccc1S(=O)(=O)Nc1cc(Cl)c([O-])cc1F ZINC000808113550 1317625265 /nfs/dbraw/zinc/62/52/65/1317625265.db2.gz CSZZADNTGLVROV-UHFFFAOYSA-N -1 0 340.763 3.166 20 30 EGEDRM N#CCc1cccc(S(=O)(=O)Nc2cc(Cl)c([O-])cc2F)c1 ZINC000808113773 1317625281 /nfs/dbraw/zinc/62/52/81/1317625281.db2.gz IXLPZSFTTFNZFT-UHFFFAOYSA-N -1 0 340.763 3.052 20 30 EGEDRM COc1cc(F)c(C(=O)/C=C/c2ccc(O)c(C(=O)[O-])c2)cc1OC ZINC000809158853 1317776708 /nfs/dbraw/zinc/77/67/08/1317776708.db2.gz XSTXDFYYSPENDY-HWKANZROSA-N -1 0 346.310 3.143 20 30 EGEDRM O=C([O-])c1cc(/C=C2/CCc3ccc([N+](=O)[O-])cc3C2=O)ccc1O ZINC000809157967 1317777086 /nfs/dbraw/zinc/77/70/86/1317777086.db2.gz UVNCESCLSJMQBX-GHXNOFRVSA-N -1 0 339.303 3.211 20 30 EGEDRM CCc1c(C)sc([N-]S(=O)(=O)c2sccc2OC)c1C#N ZINC000906072900 1318034416 /nfs/dbraw/zinc/03/44/16/1318034416.db2.gz MNSLFKFUQAEKDM-UHFFFAOYSA-N -1 0 342.467 3.362 20 30 EGEDRM COc1cccc(C2(C/N=C/c3cc([N+](=O)[O-])ccc3[O-])CC2)c1 ZINC000811624457 1318215665 /nfs/dbraw/zinc/21/56/65/1318215665.db2.gz FRJMQPHJGVSETR-YBFXNURJSA-N -1 0 326.352 3.460 20 30 EGEDRM O=C([O-])COc1ccc(C=NOC/C=C\Cl)cc1Br ZINC000811672277 1318225992 /nfs/dbraw/zinc/22/59/92/1318225992.db2.gz VKSANXDYHMTFOB-ZQPYHITOSA-N -1 0 348.580 3.016 20 30 EGEDRM COc1ccc(C(=O)/C=C/c2cccc(OCCC(=O)[O-])c2)cc1O ZINC000811697524 1318229575 /nfs/dbraw/zinc/22/95/75/1318229575.db2.gz DZAFKTHJTYXNBQ-FNORWQNLSA-N -1 0 342.347 3.150 20 30 EGEDRM C[C@@H](Oc1cccc(/C=C2\Cc3ccc(C#N)cc3C2=O)c1)C(=O)[O-] ZINC000811696185 1318229813 /nfs/dbraw/zinc/22/98/13/1318229813.db2.gz RKCYWKOTIXHJAR-DYPRAHPUSA-N -1 0 333.343 3.233 20 30 EGEDRM O=C(/C=C/c1ccc([N+](=O)[O-])c([O-])c1)c1ccc(Br)nc1 ZINC000811696191 1318229869 /nfs/dbraw/zinc/22/98/69/1318229869.db2.gz KTMKGSPEJUACMW-GORDUTHDSA-N -1 0 349.140 3.354 20 30 EGEDRM O=C([O-])COc1cccc(/C=C/C(=O)c2cc([N+](=O)[O-])ccc2F)c1 ZINC000814191797 1318695081 /nfs/dbraw/zinc/69/50/81/1318695081.db2.gz TXJTZYIFQNJRAY-QPJJXVBHSA-N -1 0 345.282 3.093 20 30 EGEDRM Cc1cc(C)nc(N=NC(C)c2cccc(OCCCC(=O)[O-])c2)n1 ZINC000814681642 1318799217 /nfs/dbraw/zinc/79/92/17/1318799217.db2.gz WAMPOUBZFGGXQS-UHFFFAOYSA-N -1 0 342.399 3.173 20 30 EGEDRM Cc1ccc(C)c(NC(=S)NN=C2CC[C@H](C(=O)[O-])[C@@H](C)C2)c1 ZINC000814707322 1318802435 /nfs/dbraw/zinc/80/24/35/1318802435.db2.gz NYFOTJURPPKMII-JSGCOSHPSA-N -1 0 333.457 3.467 20 30 EGEDRM C[C@H]1C(=NNC(=S)Nc2ccccc2)CC[C@H](C(=O)[O-])C1(C)C ZINC000814714183 1318803240 /nfs/dbraw/zinc/80/32/40/1318803240.db2.gz VJAYVORYNWXPOM-WCQYABFASA-N -1 0 333.457 3.486 20 30 EGEDRM Oc1c(C=Nn2c(=S)[n-]nc2C(F)(F)F)ccc2ccccc12 ZINC000814724178 1318806118 /nfs/dbraw/zinc/80/61/18/1318806118.db2.gz QVLSIHBYHUIMSG-UHFFFAOYSA-N -1 0 338.314 3.327 20 30 EGEDRM O=C([O-])c1cccc(C=NN2C(=S)N=NC2c2ccco2)c1Cl ZINC000814738584 1318808251 /nfs/dbraw/zinc/80/82/51/1318808251.db2.gz FJLNWWQLYGKKSG-UHFFFAOYSA-N -1 0 348.771 3.061 20 30 EGEDRM Cc1nc2sccc2c(=O)n1N=Cc1cccc(C(=O)[O-])c1Cl ZINC000814771041 1318811673 /nfs/dbraw/zinc/81/16/73/1318811673.db2.gz KPMFSNRQPDHZRU-UHFFFAOYSA-N -1 0 347.783 3.000 20 30 EGEDRM CC(CCc1ccc(OCC(=O)[O-])cc1)N=Nc1cncc(Cl)n1 ZINC000814798041 1318820279 /nfs/dbraw/zinc/82/02/79/1318820279.db2.gz XFCXJSPQYCGVID-UHFFFAOYSA-N -1 0 348.790 3.014 20 30 EGEDRM Cc1ccc2c(c1)oc(C(C)N=Nc1ccc(C)nn1)c2CC(=O)[O-] ZINC000814840545 1318830205 /nfs/dbraw/zinc/83/02/05/1318830205.db2.gz MMOLHWDDOWJNFG-UHFFFAOYSA-N -1 0 338.367 3.303 20 30 EGEDRM CCN(CC)c1ccnc(N=NC2CC[C@@H](C(=O)[O-])C(C)(C)[C@@H]2C)n1 ZINC000814872447 1318836119 /nfs/dbraw/zinc/83/61/19/1318836119.db2.gz XEAOWKNMULIWLU-OLZOCXBDSA-N -1 0 347.463 3.248 20 30 EGEDRM CSCCON=C(C)CCc1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC000814921759 1318848613 /nfs/dbraw/zinc/84/86/13/1318848613.db2.gz AOBSCBMUASRCOQ-CYBMUJFWSA-N -1 0 325.430 3.227 20 30 EGEDRM CC(N=Nc1cc(Cl)ccn1)c1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000814898919 1318842220 /nfs/dbraw/zinc/84/22/20/1318842220.db2.gz XWINCESHPYKRPP-NSHDSACASA-N -1 0 333.775 3.423 20 30 EGEDRM CC(CCc1ccc(OCCC(=O)[O-])cc1)N=Nc1ccnc(F)c1 ZINC000814902917 1318843620 /nfs/dbraw/zinc/84/36/20/1318843620.db2.gz YXRXFTBSZCPSSG-UHFFFAOYSA-N -1 0 345.374 3.495 20 30 EGEDRM CC(CCc1ccc(OCC(=O)[O-])cc1)N=Nc1cccc(F)n1 ZINC000814928099 1318852165 /nfs/dbraw/zinc/85/21/65/1318852165.db2.gz WBKGLLMDCPIHPW-UHFFFAOYSA-N -1 0 331.347 3.105 20 30 EGEDRM O=[N+]([O-])c1ccc(CN=Nc2nnc(-c3ccccc3)s2)cc1[O-] ZINC000814948918 1318858683 /nfs/dbraw/zinc/85/86/83/1318858683.db2.gz LHDVFALJRKSJQS-UHFFFAOYSA-N -1 0 341.352 3.265 20 30 EGEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1ncoc1C1CC1)c1ccccc1 ZINC000816038914 1319092555 /nfs/dbraw/zinc/09/25/55/1319092555.db2.gz KCEOZNYIEMYBLL-CABCVRRESA-N -1 0 337.379 3.142 20 30 EGEDRM N#Cc1nc(NC(=O)c2ccccc2Nc2ccccc2)[n-]c1C#N ZINC000914535650 1319342463 /nfs/dbraw/zinc/34/24/63/1319342463.db2.gz YQVPEGDOLJFLTK-UHFFFAOYSA-N -1 0 328.335 3.149 20 30 EGEDRM COc1ccc(/C=C/C(=O)c2ccc(CC(=O)[O-])cc2)c(OC)c1 ZINC000915105773 1319422575 /nfs/dbraw/zinc/42/25/75/1319422575.db2.gz DKYBLEQFGVGJSR-CSKARUKUSA-N -1 0 326.348 3.227 20 30 EGEDRM O=C([O-])c1ccc(-c2ccc(C(=O)/C=C/c3csnn3)cc2)o1 ZINC000915987241 1319578822 /nfs/dbraw/zinc/57/88/22/1319578822.db2.gz AJBPPBKLGWOJBO-AATRIKPKSA-N -1 0 326.333 3.392 20 30 EGEDRM Cc1ccc(COc2ccc(C=NNc3nnc(C)c(=O)[n-]3)cc2)cc1 ZINC000916283116 1319631680 /nfs/dbraw/zinc/63/16/80/1319631680.db2.gz YTVTWLXSJTZQSH-UHFFFAOYSA-N -1 0 349.394 3.219 20 30 EGEDRM O=C([O-])COc1ccc(CN=Nc2ncc(Cl)cc2Cl)cc1 ZINC000916316989 1319639004 /nfs/dbraw/zinc/63/90/04/1319639004.db2.gz SXIASVOFVCYBQA-UHFFFAOYSA-N -1 0 340.166 3.298 20 30 EGEDRM Cc1ccc(C([O-])=C(C#N)C(=O)NC2CCCC2)cc1-n1cccc1 ZINC000917041297 1319743236 /nfs/dbraw/zinc/74/32/36/1319743236.db2.gz HIEAPZSABGQRKN-QGZVFWFLSA-N -1 0 335.407 3.167 20 30 EGEDRM C[NH+](C)Cc1cccc(C(=O)/C=C\c2ccc(O)c(C(=O)[O-])c2)c1 ZINC000821021633 1319993847 /nfs/dbraw/zinc/99/38/47/1319993847.db2.gz KCBFOJBAWGYLKA-VURMDHGXSA-N -1 0 325.364 3.048 20 30 EGEDRM C[NH+](C)Cc1cccc(C(=O)/C=C\c2ccc([N+](=O)[O-])c([O-])c2)c1 ZINC000821022266 1319993885 /nfs/dbraw/zinc/99/38/85/1319993885.db2.gz QCKUMMFFKWIGIF-CLFYSBASSA-N -1 0 326.352 3.258 20 30 EGEDRM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@](C)(CCCCCC)C(=O)[O-] ZINC000837300078 1320594343 /nfs/dbraw/zinc/59/43/43/1320594343.db2.gz RDVWNFUMCRIXGQ-RVKKMQEKSA-N -1 0 340.464 3.081 20 30 EGEDRM CCC[C@@H]1CCC[C@H]1C(=O)OCC([O-])=C(C#N)c1nc(C)cs1 ZINC000837831710 1320691249 /nfs/dbraw/zinc/69/12/49/1320691249.db2.gz HHBVRSYJVXYWSR-MCIONIFRSA-N -1 0 334.441 3.387 20 30 EGEDRM CO[C@@H](CC(C)C)C(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21 ZINC000842280383 1321367640 /nfs/dbraw/zinc/36/76/40/1321367640.db2.gz CEECLQNZWBBCIV-ZBFHGGJFSA-N -1 0 326.396 3.429 20 30 EGEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1csc(C2CCCCC2)n1 ZINC000842323867 1321372156 /nfs/dbraw/zinc/37/21/56/1321372156.db2.gz SJHUSFBABWIOER-GFCCVEGCSA-N -1 0 342.424 3.130 20 30 EGEDRM CC(C)=CCC[C@H](C)CC(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1 ZINC000842705117 1321421508 /nfs/dbraw/zinc/42/15/08/1321421508.db2.gz SMHNRFUXAJHERC-HNNXBMFYSA-N -1 0 348.468 3.277 20 30 EGEDRM N#CC(=C([O-])c1ccc(Cn2cccn2)o1)c1nc(C2CC2)cs1 ZINC000842936872 1321451026 /nfs/dbraw/zinc/45/10/26/1321451026.db2.gz AWBUHWQRKFJZBI-CYBMUJFWSA-N -1 0 338.392 3.348 20 30 EGEDRM Cc1c(N=NC2CC[C@H](C)C[C@H]2n2cncn2)cccc1C(=O)[O-] ZINC000844622864 1321626587 /nfs/dbraw/zinc/62/65/87/1321626587.db2.gz IQORQMIXZCSMEF-MEDUHNTESA-N -1 0 327.388 3.114 20 30 EGEDRM CCC(=NNc1ccc(CC(=O)[O-])cc1)c1ccc2c(c1)OCCO2 ZINC000848415241 1321958298 /nfs/dbraw/zinc/95/82/98/1321958298.db2.gz KLEVSIVLSIEKDE-UHFFFAOYSA-N -1 0 340.379 3.311 20 30 EGEDRM Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C/c1c(C3CC3)cnn1C)CC2 ZINC000849244005 1322100803 /nfs/dbraw/zinc/10/08/03/1322100803.db2.gz QXCLTKCWSYRVRV-YRNVUSSQSA-N -1 0 326.352 3.110 20 30 EGEDRM Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C/c1ccnn1CC1CC1)CC2 ZINC000849243635 1322100809 /nfs/dbraw/zinc/10/08/09/1322100809.db2.gz LXKOYBIIZRRPBG-XYOKQWHBSA-N -1 0 326.352 3.105 20 30 EGEDRM CCCC[C@](C)(F)C(=O)OCC([O-])=C(C#N)c1nc(C)cs1 ZINC000849847545 1322155392 /nfs/dbraw/zinc/15/53/92/1322155392.db2.gz YLCIDUYZEILBHJ-NHYWBVRUSA-N -1 0 326.393 3.089 20 30 EGEDRM COc1cc(/C=C2\Cc3c(cccc3F)C2=O)cc([N+](=O)[O-])c1[O-] ZINC000921264309 1322282631 /nfs/dbraw/zinc/28/26/31/1322282631.db2.gz QQQDGPOODMSEKX-BJMVGYQFSA-N -1 0 329.283 3.271 20 30 EGEDRM CC(C)NC(=O)C(C#N)=C([O-])c1cccc(SC(F)(F)F)c1 ZINC000850762547 1322286255 /nfs/dbraw/zinc/28/62/55/1322286255.db2.gz YVQVEBACGFCWRQ-NSHDSACASA-N -1 0 330.331 3.146 20 30 EGEDRM CC[C@@](C)(C#N)C(=O)N1CCC([C@@H](CC(=O)[O-])c2ccccc2)CC1 ZINC000923090838 1322689685 /nfs/dbraw/zinc/68/96/85/1322689685.db2.gz SKXLRKYOJCTWBV-PXNSSMCTSA-N -1 0 342.439 3.423 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@@H](C)c2ccccc2C)n1 ZINC000923906226 1322843633 /nfs/dbraw/zinc/84/36/33/1322843633.db2.gz AIZJBTJRKCWGBM-DZGCQCFKSA-N -1 0 342.420 3.283 20 30 EGEDRM CC(=CC(=O)OCC([O-])=C(C#N)c1nc(C)cs1)c1cccs1 ZINC000856984846 1325551093 /nfs/dbraw/zinc/55/10/93/1325551093.db2.gz ZDUAABJBXQYHRJ-GYGFLDJKSA-N -1 0 346.433 3.336 20 30 EGEDRM N#Cc1cnc(NC(=O)Cc2ccc([S-])cc2)c(Br)c1 ZINC001183186120 1387274837 /nfs/dbraw/zinc/27/48/37/1387274837.db2.gz DBPKXGADSJAFLT-UHFFFAOYSA-N -1 0 348.225 3.186 20 30 EGEDRM COc1ccc(-c2ccccn2)nc1NC(=O)CCC(=O)C1=CC=C[CH]1 ZINC001184241930 1387418534 /nfs/dbraw/zinc/41/85/34/1387418534.db2.gz VAMDRQVOYRRJEN-UHFFFAOYSA-N -1 0 348.382 3.140 20 30 EGEDRM N#Cc1cc(NS(=O)(=O)Cc2cc(F)cc(F)c2)cc(F)c1F ZINC001185135385 1387624862 /nfs/dbraw/zinc/62/48/62/1387624862.db2.gz PZHLCLJNLJAFKD-UHFFFAOYSA-N -1 0 344.289 3.057 20 30 EGEDRM N#Cc1cc(F)cc(F)c1[N-]S(=O)(=O)Cc1cc(F)cc(F)c1 ZINC001185137919 1387625162 /nfs/dbraw/zinc/62/51/62/1387625162.db2.gz QXOSFRLTOODWKP-UHFFFAOYSA-N -1 0 344.289 3.057 20 30 EGEDRM Cc1cc(C#N)c([N-]S(=O)(=O)Cc2ccc(F)c(F)c2)cc1F ZINC001189318658 1366988274 /nfs/dbraw/zinc/98/82/74/1366988274.db2.gz HROQENGKEYXELJ-UHFFFAOYSA-N -1 0 340.326 3.226 20 30 EGEDRM CCOc1c(F)cccc1[N-]S(=O)(=O)c1cc(C#N)ccc1F ZINC001190657790 1367320871 /nfs/dbraw/zinc/32/08/71/1367320871.db2.gz KHZINMLWGNTPCF-UHFFFAOYSA-N -1 0 338.335 3.036 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]c2ccccc2C(=O)NC(C)(C)C)CC1 ZINC001190805909 1367353985 /nfs/dbraw/zinc/35/39/85/1367353985.db2.gz WQICBRDVDRIHDT-UHFFFAOYSA-N -1 0 336.457 3.065 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-][C@@H](c2ccccc2OC)C(F)(F)F)CC1 ZINC001190844786 1367365465 /nfs/dbraw/zinc/36/54/65/1367365465.db2.gz HQRWSCIVOSEKAZ-ZDUSSCGKSA-N -1 0 349.374 3.327 20 30 EGEDRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2cccc(CC#N)c2)c1 ZINC001192816036 1367880651 /nfs/dbraw/zinc/88/06/51/1367880651.db2.gz GLIJKOFTLBCSNO-UHFFFAOYSA-N -1 0 330.409 3.124 20 30 EGEDRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2cc(F)c(C#N)cc2C)c1 ZINC001192816616 1367881533 /nfs/dbraw/zinc/88/15/33/1367881533.db2.gz SFJRWMUWELUOTQ-UHFFFAOYSA-N -1 0 348.399 3.378 20 30 EGEDRM N#Cc1nc2ccc(NC(=O)c3cc(F)c([O-])cc3F)cc2s1 ZINC001192872846 1367893098 /nfs/dbraw/zinc/89/30/98/1367893098.db2.gz UHUPFOFDLNWZJY-UHFFFAOYSA-N -1 0 331.303 3.404 20 30 EGEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2ccnc(C(C)(C)C)c2)c1 ZINC001193644895 1368082684 /nfs/dbraw/zinc/08/26/84/1368082684.db2.gz SVIIEGDXMNARPN-UHFFFAOYSA-N -1 0 345.424 3.060 20 30 EGEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cc3c(s2)CCCC3)c1 ZINC001193654333 1368086065 /nfs/dbraw/zinc/08/60/65/1368086065.db2.gz ZGZDJUJXWSXTBQ-UHFFFAOYSA-N -1 0 348.449 3.308 20 30 EGEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cncc(C(C)(C)C)c2)c1 ZINC001193655514 1368086727 /nfs/dbraw/zinc/08/67/27/1368086727.db2.gz VQMUXMOONMLBRR-UHFFFAOYSA-N -1 0 345.424 3.060 20 30 EGEDRM CCOc1ccc(C)cc1[N-]S(=O)(=O)c1cc(OC)ccc1C#N ZINC001193680581 1368092790 /nfs/dbraw/zinc/09/27/90/1368092790.db2.gz ULXZEGLSRBSLMI-UHFFFAOYSA-N -1 0 346.408 3.075 20 30 EGEDRM Cc1nn(CC(C)C)c(C)c1C(=O)Nc1cc(C#N)c(F)cc1[O-] ZINC001193875971 1368137256 /nfs/dbraw/zinc/13/72/56/1368137256.db2.gz ROUHMOALOBOIGJ-UHFFFAOYSA-N -1 0 330.363 3.125 20 30 EGEDRM C#Cc1ccc([N-]S(=O)(=O)c2cccc3c(Cl)nccc32)cn1 ZINC001194465666 1368268569 /nfs/dbraw/zinc/26/85/69/1368268569.db2.gz PAMJBAYDNXEESH-UHFFFAOYSA-N -1 0 343.795 3.065 20 30 EGEDRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1ccc(Cl)nc1C#N ZINC001195271197 1368411277 /nfs/dbraw/zinc/41/12/77/1368411277.db2.gz IOESQMCXDXSNKV-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM COc1ccc([N-]S(=O)(=O)c2c(C)cccc2Cl)cc1C#N ZINC001195308996 1368418074 /nfs/dbraw/zinc/41/80/74/1368418074.db2.gz WNORHHLUSMAFCU-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM N#Cc1cc([N-]S(=O)(=O)c2ccc(Cl)cn2)ccc1Cl ZINC001196244122 1368575442 /nfs/dbraw/zinc/57/54/42/1368575442.db2.gz GVQRJPOIBFXOGQ-UHFFFAOYSA-N -1 0 328.180 3.061 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cn2)c(F)c1Cl ZINC001196245602 1368575456 /nfs/dbraw/zinc/57/54/56/1368575456.db2.gz CSXYNSYDMWNWLR-UHFFFAOYSA-N -1 0 346.170 3.200 20 30 EGEDRM Cc1noc([N-]S(=O)(=O)c2ccc3cc(Cl)ccc3c2)c1C#N ZINC001196413120 1368609840 /nfs/dbraw/zinc/60/98/40/1368609840.db2.gz WNKRUJZLQQGNSR-UHFFFAOYSA-N -1 0 347.783 3.462 20 30 EGEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ncccc1C1CC1 ZINC001196652091 1368656202 /nfs/dbraw/zinc/65/62/02/1368656202.db2.gz SSMNENZGHBUFKL-UHFFFAOYSA-N -1 0 333.800 3.285 20 30 EGEDRM CCCCCCCC(=O)c1ccc([O-])c(C(=O)N2CC(N(C)C)C2)c1 ZINC001197364552 1368799595 /nfs/dbraw/zinc/79/95/95/1368799595.db2.gz CKEXOXRSUNUMSK-UHFFFAOYSA-N -1 0 346.471 3.321 20 30 EGEDRM N#Cc1cccc([N-]S(=O)(=O)Cc2cccc(Cl)c2Cl)n1 ZINC001197717634 1368879899 /nfs/dbraw/zinc/87/98/99/1368879899.db2.gz HLTCXJDOZMRBNY-UHFFFAOYSA-N -1 0 342.207 3.202 20 30 EGEDRM N#Cc1ncc([N-]S(=O)(=O)c2ccc3occc3c2)cc1Cl ZINC001198825775 1369122969 /nfs/dbraw/zinc/12/29/69/1369122969.db2.gz GRVPGDKUXYISRN-UHFFFAOYSA-N -1 0 333.756 3.154 20 30 EGEDRM N#Cc1ccc(NC(=O)c2cnc(Oc3ccccc3)nc2)c(O)c1 ZINC001199772389 1369269679 /nfs/dbraw/zinc/26/96/79/1369269679.db2.gz CKDQRXQXTIHLGK-UHFFFAOYSA-N -1 0 332.319 3.098 20 30 EGEDRM N#Cc1ccc(Nc2cc(S(=O)(=O)[O-])ccc2Cl)c(F)c1 ZINC001201573741 1369579758 /nfs/dbraw/zinc/57/97/58/1369579758.db2.gz CKPMUMJNPLDPLX-UHFFFAOYSA-N -1 0 326.736 3.341 20 30 EGEDRM Cc1nc(Cl)sc1S(=O)(=O)[N-]c1cc(Cl)cc(C#N)c1 ZINC001201760548 1369618467 /nfs/dbraw/zinc/61/84/67/1369618467.db2.gz MHCSKNHQIBLEHM-UHFFFAOYSA-N -1 0 348.236 3.431 20 30 EGEDRM Cc1noc([N-]S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)c1C#N ZINC001187032929 1388043279 /nfs/dbraw/zinc/04/32/79/1388043279.db2.gz PKBCNYFHXJRJCP-UHFFFAOYSA-N -1 0 346.195 3.103 20 30 EGEDRM N#Cc1ncc(Br)cc1Nc1ccc(C(=O)[O-])cc1F ZINC001203286136 1370062321 /nfs/dbraw/zinc/06/23/21/1370062321.db2.gz IXESGTYPGQJSPH-UHFFFAOYSA-N -1 0 336.120 3.297 20 30 EGEDRM N#Cc1ccc(F)cc1[N-]S(=O)(=O)c1cc2c(s1)CCCC2 ZINC001187209083 1388072506 /nfs/dbraw/zinc/07/25/06/1388072506.db2.gz KAFMOWNPWZSJPV-UHFFFAOYSA-N -1 0 336.413 3.438 20 30 EGEDRM CC(C)(C)OC(=O)[C@H](C#N)c1nccnc1-c1cc(F)c([O-])cc1F ZINC001206775684 1371161791 /nfs/dbraw/zinc/16/17/91/1371161791.db2.gz GLISMKRBFVWJDW-SNVBAGLBSA-N -1 0 347.321 3.076 20 30 EGEDRM CCCCCCCCCCCCS(=O)(=O)[N-]c1cnn(C)n1 ZINC001187723045 1388150078 /nfs/dbraw/zinc/15/00/78/1388150078.db2.gz SBPBDEXFXQDFHR-UHFFFAOYSA-N -1 0 330.498 3.478 20 30 EGEDRM C=CCOC(=O)c1ccccc1Nc1ccc(OC)c(C(=O)[O-])c1 ZINC001209902709 1372228181 /nfs/dbraw/zinc/22/81/81/1372228181.db2.gz NCPISANJMQXHDR-UHFFFAOYSA-N -1 0 327.336 3.480 20 30 EGEDRM N#Cc1cc(Cl)c(Cl)cc1[N-]S(=O)(=O)c1nccs1 ZINC001187899684 1388187024 /nfs/dbraw/zinc/18/70/24/1388187024.db2.gz UPUONNYFFMGFBS-UHFFFAOYSA-N -1 0 334.209 3.122 20 30 EGEDRM CCSc1ccc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)cn1 ZINC001122493141 1372260096 /nfs/dbraw/zinc/26/00/96/1372260096.db2.gz JVUKQCWUBFRJEH-CYBMUJFWSA-N -1 0 349.419 3.209 20 30 EGEDRM N#Cc1ncccc1Nc1cc2c(cc1[O-])C(=O)c1ccccc1C2=O ZINC001210146865 1372281816 /nfs/dbraw/zinc/28/18/16/1372281816.db2.gz FBAIQPUWYOCNRH-UHFFFAOYSA-N -1 0 341.326 3.178 20 30 EGEDRM N#Cc1ncc(Br)cc1Nc1cccc(C(=O)[O-])c1F ZINC001210239656 1372301831 /nfs/dbraw/zinc/30/18/31/1372301831.db2.gz NULYQRVFNFZENI-UHFFFAOYSA-N -1 0 336.120 3.297 20 30 EGEDRM C[C@@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)C1CCCCCC1 ZINC001211472608 1372564818 /nfs/dbraw/zinc/56/48/18/1372564818.db2.gz XBVWLEQCZFKZRT-LLVKDONJSA-N -1 0 342.411 3.474 20 30 EGEDRM N#Cc1nn(-c2ccc(C(=O)[O-])c(C(F)(F)F)c2)c2ccc(N)cc12 ZINC001211491703 1372567648 /nfs/dbraw/zinc/56/76/48/1372567648.db2.gz BBJFHZAPHCFKGJ-UHFFFAOYSA-N -1 0 346.268 3.196 20 30 EGEDRM Cc1cc(S(=O)(=O)[O-])c(Nc2ccc(C#N)cc2N)cc1Cl ZINC001213361195 1372892900 /nfs/dbraw/zinc/89/29/00/1372892900.db2.gz HYHLMHCDZIRMBZ-UHFFFAOYSA-N -1 0 337.788 3.093 20 30 EGEDRM Cc1[n-]n(-c2ccccc2)c(=O)c1-c1nc(-c2cccc(C#N)c2)no1 ZINC001213456771 1372908303 /nfs/dbraw/zinc/90/83/03/1372908303.db2.gz FUEDMMJDVNXTHS-UHFFFAOYSA-N -1 0 343.346 3.475 20 30 EGEDRM COc1cc(Cl)cnc1-c1noc(-c2ccc([O-])c(C#N)c2)n1 ZINC001216969758 1373373389 /nfs/dbraw/zinc/37/33/89/1373373389.db2.gz PXMCERNPKCEYGZ-UHFFFAOYSA-N -1 0 328.715 3.038 20 30 EGEDRM N#Cc1ccc(-c2noc(-c3c([O-])cccc3Br)n2)nc1 ZINC001216983532 1373375652 /nfs/dbraw/zinc/37/56/52/1373375652.db2.gz XGZSCCCHHJOKPZ-UHFFFAOYSA-N -1 0 343.140 3.138 20 30 EGEDRM C[C@H](COc1ccccc1)OCCCOc1[n-]c(=O)c(F)cc1C#N ZINC001226008608 1375189753 /nfs/dbraw/zinc/18/97/53/1375189753.db2.gz KGYSFCSGJPZBCR-CYBMUJFWSA-N -1 0 346.358 3.051 20 30 EGEDRM Cc1cn2c(n1)[C@@H](Oc1[n-]c(=O)cc(C(F)(F)F)c1C#N)CCC2 ZINC001226066410 1375198555 /nfs/dbraw/zinc/19/85/55/1375198555.db2.gz ASKBQVYWJPZFDJ-NSHDSACASA-N -1 0 338.289 3.097 20 30 EGEDRM O=C1C=C[C@H](Oc2cc([O-])cc3oc(-c4ccccc4)cc(=O)c23)C1 ZINC001226499338 1375269475 /nfs/dbraw/zinc/26/94/75/1375269475.db2.gz OIYULLUHXJWWKH-HNNXBMFYSA-N -1 0 334.327 3.442 20 30 EGEDRM C=C[C@H](C#CC(C)(C)C)Oc1ccc(S(=O)(=O)[O-])c2cccnc12 ZINC001227441830 1375431395 /nfs/dbraw/zinc/43/13/95/1375431395.db2.gz XVAYLZPUZLATRC-CYBMUJFWSA-N -1 0 345.420 3.464 20 30 EGEDRM C=C[C@@H](Oc1[nH]c(=O)nc2nc(Br)[n-]c21)c1ccccc1 ZINC001227598105 1375450832 /nfs/dbraw/zinc/45/08/32/1375450832.db2.gz UXVADEWXKMLCNS-SECBINFHSA-N -1 0 347.172 3.127 20 30 EGEDRM C=CC[C@@H](Oc1c([O-])c(C(=O)OC)sc1C(=O)OC)C(C)C ZINC001227621609 1375454778 /nfs/dbraw/zinc/45/47/78/1375454778.db2.gz GSWBGDQRSXDKJE-SECBINFHSA-N -1 0 328.386 3.006 20 30 EGEDRM C=CC[C@H](CCC)Oc1c([O-])c(C(=O)OCC)oc1C(=O)OCC ZINC001227642220 1375458516 /nfs/dbraw/zinc/45/85/16/1375458516.db2.gz WYEQVXHRWOBKSZ-LLVKDONJSA-N -1 0 340.372 3.462 20 30 EGEDRM C=C[C@]1(C)CC[C@H](C(C)(C)Oc2ccc(-n3nn[n-]c3=S)cc2)O1 ZINC001228438765 1375572092 /nfs/dbraw/zinc/57/20/92/1375572092.db2.gz OVYODPQPXUKRDD-RHSMWYFYSA-N -1 0 346.456 3.232 20 30 EGEDRM CC[C@H](C#Cc1ccccc1)Oc1nc(C2CC2)[n-]c(=O)c1[N+](=O)[O-] ZINC001228610394 1375614870 /nfs/dbraw/zinc/61/48/70/1375614870.db2.gz UNLQOPCGXKHTRL-CQSZACIVSA-N -1 0 339.351 3.177 20 30 EGEDRM N#Cc1ccc(=O)[n-]c1O[C@@H]1CCc2c1cccc2Br ZINC001228902550 1375709858 /nfs/dbraw/zinc/70/98/58/1375709858.db2.gz RMOCIDLWXYHZJK-CYBMUJFWSA-N -1 0 331.169 3.488 20 30 EGEDRM CC[C@@H](Oc1[n-]c(=O)ccc1C#N)c1cc(OC)c(OC)c(OC)c1 ZINC001228904783 1375711182 /nfs/dbraw/zinc/71/11/82/1375711182.db2.gz BDRQAZCKXFXPJZ-CYBMUJFWSA-N -1 0 344.367 3.215 20 30 EGEDRM COC(=O)c1cc(C#N)cnc1-c1ccc(C(=O)[O-])c(C)c1Cl ZINC001236114187 1376933285 /nfs/dbraw/zinc/93/32/85/1376933285.db2.gz SOOCNCSOUQJBFJ-UHFFFAOYSA-N -1 0 330.727 3.067 20 30 EGEDRM N#Cc1cc([N-]S(=O)(=O)c2ccccc2Br)cs1 ZINC001257337975 1377113967 /nfs/dbraw/zinc/11/39/67/1377113967.db2.gz HBTBWIREYPBTIU-UHFFFAOYSA-N -1 0 343.227 3.183 20 30 EGEDRM Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccc(C#N)cc1O ZINC001147954054 1379101649 /nfs/dbraw/zinc/10/16/49/1379101649.db2.gz CKUFKRTYOUFLTG-UHFFFAOYSA-N -1 0 336.376 3.343 20 30 EGEDRM N#Cc1cc(NC(=O)c2c[nH]c3nccc(Cl)c23)c([O-])cc1F ZINC001153101466 1380020547 /nfs/dbraw/zinc/02/05/47/1380020547.db2.gz DUDRNFPICNREDJ-UHFFFAOYSA-N -1 0 330.706 3.185 20 30 EGEDRM COc1cccc(NC(=O)c2c(O)cc3ccccc3c2[O-])c1C#N ZINC001154028131 1380185066 /nfs/dbraw/zinc/18/50/66/1380185066.db2.gz RSHDQCIYRHOLNT-UHFFFAOYSA-N -1 0 334.331 3.384 20 30 EGEDRM CCCn1c2ccccc2n(CC)c1=NC(=O)c1ccc(C#N)c([O-])c1 ZINC001296387628 1382990467 /nfs/dbraw/zinc/99/04/67/1382990467.db2.gz MDFCOVDPMYRAOP-UHFFFAOYSA-N -1 0 348.406 3.191 20 30 EGEDRM CC1N=NC(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)=C1[O-] ZINC001296790043 1383065117 /nfs/dbraw/zinc/06/51/17/1383065117.db2.gz YBTSPORQBSYMMS-UHFFFAOYSA-N -1 0 334.335 3.340 20 30 EGEDRM Cc1cc(C#N)cc(NC(=O)c2[n-]cnc2C(=O)c2ccccc2)c1 ZINC001299291336 1383500617 /nfs/dbraw/zinc/50/06/17/1383500617.db2.gz AXJBXBVQMIMIKI-UHFFFAOYSA-N -1 0 330.347 3.073 20 30 EGEDRM COc1cc(C#N)c(F)cc1Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001174504616 1385114875 /nfs/dbraw/zinc/11/48/75/1385114875.db2.gz DLIIKWGGYOEWGY-UHFFFAOYSA-N -1 0 331.259 3.056 20 30 EGEDRM C=CC[C@@H](NC(=O)NCC1(c2ccc(Cl)cc2)CCC1)C(=O)[O-] ZINC001321581765 1386934990 /nfs/dbraw/zinc/93/49/90/1386934990.db2.gz AXYCPFBMTVZYQH-CQSZACIVSA-N -1 0 336.819 3.090 20 30 EGEDRM C=CC[C@@H](NC(=O)c1cnc(-c2ccc(C)cc2C)s1)C(=O)[O-] ZINC001321657077 1386951025 /nfs/dbraw/zinc/95/10/25/1386951025.db2.gz BWPANESTEROVLI-CYBMUJFWSA-N -1 0 330.409 3.186 20 30 EGEDRM C=CC[C@@H](NC(=O)Nc1ccc(Oc2cccnc2)c(C)c1)C(=O)[O-] ZINC001322513158 1387198964 /nfs/dbraw/zinc/19/89/64/1387198964.db2.gz GDHHVIXTABMKCG-OAHLLOKOSA-N -1 0 341.367 3.333 20 30 EGEDRM C=CC[C@@H](NC(=O)c1csc(-c2ccc(Cl)s2)n1)C(=O)[O-] ZINC001322599646 1387211874 /nfs/dbraw/zinc/21/18/74/1387211874.db2.gz CBBUWZMVIUKHAC-SSDOTTSWSA-N -1 0 342.829 3.284 20 30 EGEDRM CN1CCN(c2ccc(C=CC(=O)c3sccc3[O-])cc2F)CC1 ZINC001339249752 1389959608 /nfs/dbraw/zinc/95/96/08/1389959608.db2.gz GGNMDMWYEQDBEU-HYXAFXHYSA-N -1 0 346.427 3.241 20 30 EGEDRM C=CC[C@@H](NC(=O)c1cc(C)n(-c2ccccc2C)c1C)C(=O)[O-] ZINC001339865506 1390178741 /nfs/dbraw/zinc/17/87/41/1390178741.db2.gz WTZATSBSFCWXAP-MRXNPFEDSA-N -1 0 326.396 3.162 20 30 EGEDRM CCCc1ncc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)s1 ZINC001343448615 1390714655 /nfs/dbraw/zinc/71/46/55/1390714655.db2.gz WFUVTXMTPXPZLE-NSHDSACASA-N -1 0 337.408 3.111 20 30 EGEDRM N#CC(=C([O-])c1ocnc1C1CC1)c1nccn1Cc1ccccc1 ZINC001343704701 1390732183 /nfs/dbraw/zinc/73/21/83/1390732183.db2.gz LRELURBCMFJRSD-HNNXBMFYSA-N -1 0 332.363 3.287 20 30 EGEDRM CC(C)c1c(C([O-])=C(C#N)c2cccc(F)n2)cnn1-c1ccccn1 ZINC001344002460 1390749444 /nfs/dbraw/zinc/74/94/44/1390749444.db2.gz BJUJOFOWOIAVJP-CYBMUJFWSA-N -1 0 349.369 3.415 20 30 EGEDRM COc1cccn2ncc(C([O-])=C(C#N)c3nc(C(C)C)cs3)c12 ZINC001344343145 1390784819 /nfs/dbraw/zinc/78/48/19/1390784819.db2.gz PPBGSXXEMCKDGJ-NSHDSACASA-N -1 0 340.408 3.413 20 30 EGEDRM C=CC[C@@H](NC(=O)C1(c2cc(F)cc(C(F)(F)F)c2)CC1)C(=O)[O-] ZINC001350322526 1391447406 /nfs/dbraw/zinc/44/74/06/1391447406.db2.gz LGTZSIJFWKGLLB-GFCCVEGCSA-N -1 0 345.292 3.022 20 30 EGEDRM O=C1c2cccc(Cl)c2CC1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826475452 1429350491 /nfs/dbraw/zinc/35/04/91/1429350491.db2.gz GJOBWZNLRDVBME-UXBLZVDNSA-N -1 0 340.745 3.482 20 30 EGEDRM CCOc1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc1 ZINC000821418298 1429621814 /nfs/dbraw/zinc/62/18/14/1429621814.db2.gz ZDFGNNYCLPCMJK-PTNGSMBKSA-N -1 0 346.390 3.478 20 30 EGEDRM Cc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)cc1F ZINC000826286283 1424256959 /nfs/dbraw/zinc/25/69/59/1424256959.db2.gz XMCCWUIZJIGEJD-QPJJXVBHSA-N -1 0 326.306 3.349 20 30 EGEDRM O=C1c2ccc(Cl)cc2CC1=Cc1ccc(-c2nn[n-]n2)s1 ZINC000823504781 1429769322 /nfs/dbraw/zinc/76/93/22/1429769322.db2.gz UNGAIBGMHMGSEH-VQHVLOKHSA-N -1 0 328.784 3.404 20 30 EGEDRM COc1ccc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000737080690 1425131128 /nfs/dbraw/zinc/13/11/28/1425131128.db2.gz GHGNGSNVGQIXHR-ALCCZGGFSA-N -1 0 340.770 3.425 20 30 EGEDRM CCC[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1ccccc1 ZINC000736417487 1425277681 /nfs/dbraw/zinc/27/76/81/1425277681.db2.gz TWIIDWWYXGJGSV-KRWDZBQOSA-N -1 0 346.394 3.261 20 30 EGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CCC(C)(C)C ZINC000735418216 1425764560 /nfs/dbraw/zinc/76/45/60/1425764560.db2.gz DRBDXGROFUMZON-UHFFFAOYSA-N -1 0 327.432 3.208 20 30 EGEDRM CC(C)c1nc(-c2nn[n-]n2)c(N=NC(C)c2cc(F)cc(F)c2)o1 ZINC000819782841 1427673289 /nfs/dbraw/zinc/67/32/89/1427673289.db2.gz QCESQXTYVGSLEX-UHFFFAOYSA-N -1 0 347.329 3.092 20 30 EGEDRM C[C@@H](CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)C1CCCCC1 ZINC000735974339 1429963924 /nfs/dbraw/zinc/96/39/24/1429963924.db2.gz BZCDUWGXVAEHFI-LBPRGKRZSA-N -1 0 338.415 3.283 20 30 EGEDRM CCCn1cccc1C=NNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825361579 1430054159 /nfs/dbraw/zinc/05/41/59/1430054159.db2.gz FUQALCGAKQQCMV-UHFFFAOYSA-N -1 0 329.795 3.178 20 30 EGEDRM CC(=NNc1ccc(F)cc1C)c1ccc(-c2nn[n-]n2)cc1F ZINC000823958637 1430151209 /nfs/dbraw/zinc/15/12/09/1430151209.db2.gz UJMADNWDVSNMFF-UHFFFAOYSA-N -1 0 328.326 3.289 20 30 EGEDRM Cc1cc(C)c(-c2nn[n-]n2)c(SCc2ccc(CC#N)cc2)n1 ZINC000826263108 1441685944 /nfs/dbraw/zinc/68/59/44/1441685944.db2.gz LOVXCMURUQXIHN-UHFFFAOYSA-N -1 0 336.424 3.237 20 30 EGEDRM Cc1cc(C)c(-c2nn[n-]n2)c(S[C@H](C#N)C2CCCCC2)n1 ZINC000737240239 1441833122 /nfs/dbraw/zinc/83/31/22/1441833122.db2.gz ITJKRJHPQMIMFO-CYBMUJFWSA-N -1 0 328.445 3.443 20 30 EGEDRM O=C(C=Cc1c[nH]c(-c2ccccc2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737800185 1443612027 /nfs/dbraw/zinc/61/20/27/1443612027.db2.gz YQROUSDANAPKOG-KHPPLWFESA-N -1 0 342.362 3.153 20 30 EGEDRM C[C@H](C=NNCc1ccc(-c2nn[n-]n2)cc1)c1cccc(Cl)c1 ZINC000824384958 1443715965 /nfs/dbraw/zinc/71/59/65/1443715965.db2.gz INWYPSSVALNJIR-GFCCVEGCSA-N -1 0 340.818 3.399 20 30 EGEDRM O=C1c2ccccc2OCCC1=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000823503282 1443870577 /nfs/dbraw/zinc/87/05/77/1443870577.db2.gz CQGSCGNICWSAAT-XFXZXTDPSA-N -1 0 336.326 3.055 20 30 EGEDRM C[C@H](Nc1ccc2cc(-c3nn[n-]n3)ccc2n1)c1ccc(C#N)cc1 ZINC000824658645 1443970268 /nfs/dbraw/zinc/97/02/68/1443970268.db2.gz ZEDUCHPPOSNAFI-LBPRGKRZSA-N -1 0 341.378 3.460 20 30 EGEDRM CC[C@H](C)CCCCC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000825059758 1446134145 /nfs/dbraw/zinc/13/41/45/1446134145.db2.gz JVPIGPKHKGLFFJ-LBPRGKRZSA-N -1 0 326.404 3.283 20 30 EGEDRM Fc1cccc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)c1F ZINC000826376833 1446388723 /nfs/dbraw/zinc/38/87/23/1446388723.db2.gz UPZZDVLFYZDTFX-UHFFFAOYSA-N -1 0 334.717 3.244 20 30 EGEDRM CN(C)c1cc(F)ccc1C(=O)C=Cc1cc(-c2nn[n-]n2)cs1 ZINC000821588160 1446859849 /nfs/dbraw/zinc/85/98/49/1446859849.db2.gz FEWFIVPIXSZENE-GQCTYLIASA-N -1 0 343.387 3.029 20 30 EGEDRM COc1ccc(C)cc1C(=O)C=Cc1cc(-c2nn[n-]n2)cs1 ZINC000821782639 1446919149 /nfs/dbraw/zinc/91/91/49/1446919149.db2.gz ITEHVCVXTUZGGR-SNAWJCMRSA-N -1 0 326.381 3.141 20 30 EGEDRM C=CCCCCCN(C)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000819740234 1446948283 /nfs/dbraw/zinc/94/82/83/1446948283.db2.gz VKMKBBLZTSHESL-CQSZACIVSA-N -1 0 342.447 3.316 20 30 EGEDRM C#CCCCOC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735375752 1447168699 /nfs/dbraw/zinc/16/86/99/1447168699.db2.gz REJWBLJGFMRWLJ-UHFFFAOYSA-N -1 0 348.362 3.229 20 30 EGEDRM O=C([O-])c1ccc(NC(=O)c2ccc(C#Cc3ccccc3)cc2)nc1 ZINC001602378805 971190996 /nfs/dbraw/zinc/19/09/96/971190996.db2.gz IAHJAXSNBUZJAQ-UHFFFAOYSA-N -1 0 342.354 3.432 20 30 EGEDRM C#CCN(C(=O)NCCC(C)(C)C(=O)[O-])[C@@H]1CCCc2ccccc21 ZINC001602675739 971252587 /nfs/dbraw/zinc/25/25/87/971252587.db2.gz NDRLVOVONVOUKH-QGZVFWFLSA-N -1 0 342.439 3.210 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)CCCCc1ccc(C(C)(C)C)cc1 ZINC001602682127 971265304 /nfs/dbraw/zinc/26/53/04/971265304.db2.gz GWZULWFKGQCDTJ-UHFFFAOYSA-N -1 0 329.440 3.243 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)c1ccc(Sc2ccccc2C)cc1 ZINC001602692350 971301808 /nfs/dbraw/zinc/30/18/08/971301808.db2.gz LEPDIKBWXNLHGH-UHFFFAOYSA-N -1 0 339.416 3.306 20 30 EGEDRM C=CCCN(OCc1ccccc1)C(=O)[C@@]1(C(=O)[O-])CC=CCC1 ZINC001602722039 971385693 /nfs/dbraw/zinc/38/56/93/971385693.db2.gz RJQCBWXNPZUZLP-LJQANCHMSA-N -1 0 329.396 3.334 20 30 EGEDRM C=CCOc1ccc(COC(=O)c2cccc(OCC(=O)[O-])c2)cc1 ZINC001602729025 971399509 /nfs/dbraw/zinc/39/95/09/971399509.db2.gz ZAKOPMKYWVUMOS-UHFFFAOYSA-N -1 0 342.347 3.072 20 30 EGEDRM C=CCc1cc(OC)ccc1OC(=O)Cc1ccccc1C(=O)[O-] ZINC001602729870 971402864 /nfs/dbraw/zinc/40/28/64/971402864.db2.gz JOAGEYINOZGUTN-UHFFFAOYSA-N -1 0 326.348 3.270 20 30 EGEDRM C[C@@](C#N)(CCc1ccccc1)NC(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001602781510 971524808 /nfs/dbraw/zinc/52/48/08/971524808.db2.gz AQKKPOCFVPZSDC-RQMBKDMJSA-N -1 0 338.363 3.022 20 30 EGEDRM CC(C)(C)CC[C@H](NC(=O)CSCc1ccc(C#N)cc1)C(=O)[O-] ZINC000263021780 950218049 /nfs/dbraw/zinc/21/80/49/950218049.db2.gz UCNBQFYHUWLBQN-HNNXBMFYSA-N -1 0 348.468 3.187 20 30 EGEDRM CC(C)[C@H](CNC(=O)[C@](C)(C#N)CC(=O)[O-])c1ccc(Cl)cc1 ZINC001602978527 971995642 /nfs/dbraw/zinc/99/56/42/971995642.db2.gz YBUCPAWUDSELLR-YOEHRIQHSA-N -1 0 336.819 3.200 20 30 EGEDRM C#CC[C@@H](NC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1ccccc1 ZINC000848581014 955752547 /nfs/dbraw/zinc/75/25/47/955752547.db2.gz JEWODZZMHUYKJW-XLNGHYISSA-N -1 0 342.439 3.186 20 30 EGEDRM N#CC1(CNCc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)CCCCC1 ZINC001594604349 956161740 /nfs/dbraw/zinc/16/17/40/956161740.db2.gz RPQCOHWZAFHNEA-HNNXBMFYSA-N -1 0 345.443 3.144 20 30 EGEDRM N#CCCC[C@H](NC(=O)Nc1cc(C(=O)[O-])ccn1)c1ccccc1 ZINC001594609016 956188768 /nfs/dbraw/zinc/18/87/68/956188768.db2.gz JDMIHSHCGNUNHD-HNNXBMFYSA-N -1 0 338.367 3.336 20 30 EGEDRM N#Cc1cc(F)cc(C2(C(=O)OCc3ccc(C(=O)[O-])cc3)CC2)c1 ZINC001594615548 956233295 /nfs/dbraw/zinc/23/32/95/956233295.db2.gz BSOIIURDKVZOGB-UHFFFAOYSA-N -1 0 339.322 3.171 20 30 EGEDRM N#Cc1ccc(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])cc1Cl ZINC001594617550 956250749 /nfs/dbraw/zinc/25/07/49/956250749.db2.gz FBMBHIJRBRCMBY-VQISRLSMSA-N -1 0 332.787 3.070 20 30 EGEDRM N#CCCc1ccc(NC(=O)N2CCCC[C@H]2CCC(=O)[O-])cc1 ZINC000899318517 956288175 /nfs/dbraw/zinc/28/81/75/956288175.db2.gz UWUQZBOVIRYSQM-INIZCTEOSA-N -1 0 329.400 3.394 20 30 EGEDRM N#Cc1ccc(OC(F)F)c(NC(=O)c2coc(/C=C\C(=O)[O-])c2)c1 ZINC001594624161 956302474 /nfs/dbraw/zinc/30/24/74/956302474.db2.gz RRNUZIDGBQSIIW-RQOWECAXSA-N -1 0 348.261 3.103 20 30 EGEDRM COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)[O-])cc2)cc1OC ZINC000007744487 956884264 /nfs/dbraw/zinc/88/42/64/956884264.db2.gz REOAJHBANLGTAR-WEVVVXLNSA-N -1 0 342.347 3.063 20 30 EGEDRM C=CCn1c(=O)c2ccsc2nc1SCc1occc1C(=O)[O-] ZINC000013417750 957058361 /nfs/dbraw/zinc/05/83/61/957058361.db2.gz VZBYUICETATHSI-UHFFFAOYSA-N -1 0 348.405 3.228 20 30 EGEDRM Cc1ccc(C(=O)/C=C\c2ccc(OCC(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000033787591 957188820 /nfs/dbraw/zinc/18/88/20/957188820.db2.gz JIRUPKMOAOLRBE-UITAMQMPSA-N -1 0 341.319 3.263 20 30 EGEDRM C[C@](CNc1nc(C(F)(F)F)ccc1C#N)(C(=O)[O-])c1ccccc1 ZINC001603193736 972298984 /nfs/dbraw/zinc/29/89/84/972298984.db2.gz SPPWVKJGEXPZEK-MRXNPFEDSA-N -1 0 349.312 3.426 20 30 EGEDRM O=C([O-])c1cccc(C(=O)Nc2cccc(C#Cc3ccccn3)c2)c1 ZINC001574807064 957858805 /nfs/dbraw/zinc/85/88/05/957858805.db2.gz CZRARTWXVKVRHQ-UHFFFAOYSA-N -1 0 342.354 3.432 20 30 EGEDRM C#C[C@H](NC(=O)Nc1cccc(CCC(=O)[O-])c1)c1ccc(F)cc1 ZINC001588386570 957979733 /nfs/dbraw/zinc/97/97/33/957979733.db2.gz RSVSMSDTKXMZCJ-KRWDZBQOSA-N -1 0 340.354 3.339 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)Nc1ccc(Oc2cccc(C)c2)cc1 ZINC001588412360 958150620 /nfs/dbraw/zinc/15/06/20/958150620.db2.gz BVIHEZVLSJPRMH-UHFFFAOYSA-N -1 0 338.363 3.339 20 30 EGEDRM C#CCN(C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)[C@@H]1CCCc2ccccc21 ZINC001573319348 958471318 /nfs/dbraw/zinc/47/13/18/958471318.db2.gz WZPCWLYUROTOOQ-LZLYRXPVSA-N -1 0 325.408 3.027 20 30 EGEDRM C=CCCOCCCCC(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001588460480 958476623 /nfs/dbraw/zinc/47/66/23/958476623.db2.gz KDTGDDITNCXOEO-SJORKVTESA-N -1 0 331.412 3.179 20 30 EGEDRM C=CCN(Cc1ccccc1F)C(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001588464281 958490296 /nfs/dbraw/zinc/49/02/96/958490296.db2.gz MQPFNRZSNFVJDK-BQYQJAHWSA-N -1 0 329.327 3.345 20 30 EGEDRM C[C@H](C#N)Oc1ccccc1NC(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC001588545404 958996681 /nfs/dbraw/zinc/99/66/81/958996681.db2.gz SPGLCKQLMQFDNE-ZIAGYGMSSA-N -1 0 345.399 3.229 20 30 EGEDRM C#CC[C@@H](NC(=O)c1sc2cc(Cl)ccc2c1Cl)C(=O)[O-] ZINC000149795682 959027668 /nfs/dbraw/zinc/02/76/68/959027668.db2.gz OIQRREBMPRFCEZ-SECBINFHSA-N -1 0 342.203 3.414 20 30 EGEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)NC1(CC(=O)[O-])CCCCC1 ZINC001573608337 959466138 /nfs/dbraw/zinc/46/61/38/959466138.db2.gz PSHPFFOEKCJLAW-AWEZNQCLSA-N -1 0 328.412 3.031 20 30 EGEDRM COc1ccc(/C=C\C(=O)c2ccc(OCC(=O)[O-])cc2)cc1F ZINC000213598890 959723590 /nfs/dbraw/zinc/72/35/90/959723590.db2.gz TYFHIGDBARXIEP-WAPJZHGLSA-N -1 0 330.311 3.194 20 30 EGEDRM N#Cc1ccc(CC(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)cc1 ZINC001574485977 961680001 /nfs/dbraw/zinc/68/00/01/961680001.db2.gz OBNLMQBCWOWRSY-UHFFFAOYSA-N -1 0 332.718 3.230 20 30 EGEDRM C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001341448754 962139819 /nfs/dbraw/zinc/13/98/19/962139819.db2.gz FQWCNZVQECIZDI-ROUUACIJSA-N -1 0 344.455 3.460 20 30 EGEDRM CC(C)C[C@H](CNC(=O)c1cccc(SCC#N)c1)CC(=O)[O-] ZINC001588894825 962231300 /nfs/dbraw/zinc/23/13/00/962231300.db2.gz ZGBVOTSNNSZJTK-ZDUSSCGKSA-N -1 0 334.441 3.169 20 30 EGEDRM C#CCOc1ccccc1NC(=O)Nc1cc(C(=O)[O-])sc1C ZINC001573312643 962725153 /nfs/dbraw/zinc/72/51/53/962725153.db2.gz YAHJYPXUWLKUPT-UHFFFAOYSA-N -1 0 330.365 3.411 20 30 EGEDRM C#Cc1cccc(N(Cc2ccco2)C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)c1 ZINC001573313055 962727060 /nfs/dbraw/zinc/72/70/60/962727060.db2.gz APIKEDHUPNOXFQ-JKSUJKDBSA-N -1 0 337.375 3.295 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1cc(Br)c(C)cc1OC ZINC001573336367 962858848 /nfs/dbraw/zinc/85/88/48/962858848.db2.gz BLYCINSPNVAWML-UHFFFAOYSA-N -1 0 342.189 3.126 20 30 EGEDRM C=C1CCC(C(=O)N2CCN(c3ccc(C(=O)[O-])cc3)C[C@H]2C)CC1 ZINC001573344269 962914273 /nfs/dbraw/zinc/91/42/73/962914273.db2.gz QTSRKABVRSYIHC-OAHLLOKOSA-N -1 0 342.439 3.168 20 30 EGEDRM C=C[C@@H](C)NC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC001573348349 962957738 /nfs/dbraw/zinc/95/77/38/962957738.db2.gz VKMOGTUQEDJSAD-CQSZACIVSA-N -1 0 334.375 3.481 20 30 EGEDRM N#Cc1ccc(N2CCC[C@H](CC(=O)[O-])C2)c(F)c1Br ZINC000231842171 967739211 /nfs/dbraw/zinc/73/92/11/967739211.db2.gz WXABAFMSPLIFII-SECBINFHSA-N -1 0 341.180 3.151 20 30 EGEDRM Cc1c2cc(C#N)ccc2sc1C(=O)N1CCC[C@H](C)[C@H]1C(=O)[O-] ZINC001605077365 972712236 /nfs/dbraw/zinc/71/22/36/972712236.db2.gz UBCVGBLNZBZKBF-BONVTDFDSA-N -1 0 342.420 3.407 20 30 EGEDRM C[C@H]1CCCN(CC#Cc2ccc(C(F)(F)F)cc2)[C@@H]1C(=O)[O-] ZINC001603410503 973089917 /nfs/dbraw/zinc/08/99/17/973089917.db2.gz VJTJPYXVMYPWDN-WFASDCNBSA-N -1 0 325.330 3.242 20 30 EGEDRM N#CCCCn1cc(C(=O)Nc2cncc(C(=O)[O-])c2)c2ccccc21 ZINC001605581557 973858351 /nfs/dbraw/zinc/85/83/51/973858351.db2.gz BIOPVUFDTHVKTM-UHFFFAOYSA-N -1 0 348.362 3.291 20 30 EGEDRM N#Cc1ccc(C2=CCN(C(=O)C3(C(=O)[O-])CCCCC3)CC2)cc1 ZINC001605601966 973908861 /nfs/dbraw/zinc/90/88/61/973908861.db2.gz IAMPISHFRDKNFE-UHFFFAOYSA-N -1 0 338.407 3.209 20 30 EGEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)c1cccc(CC(=O)[O-])c1 ZINC001591758668 975836579 /nfs/dbraw/zinc/83/65/79/975836579.db2.gz JMWKMMFLDMCTSA-UHFFFAOYSA-N -1 0 338.363 3.225 20 30 EGEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc(C(=O)[O-])ccn1 ZINC001592225764 977412923 /nfs/dbraw/zinc/41/29/23/977412923.db2.gz NHGNBOFRUHODMZ-LLVKDONJSA-N -1 0 341.392 3.426 20 30 EGEDRM Cc1cc(C)c2c(c1)C(N=Nc1ccc(C(=O)[O-])cn1)CCCO2 ZINC000763370295 978722262 /nfs/dbraw/zinc/72/22/62/978722262.db2.gz NRSFZSIBJUHJOK-UHFFFAOYSA-N -1 0 325.368 3.385 20 30 EGEDRM O=C([O-])c1cccc(NN=C2C(=O)Nc3cccc(C(F)(F)F)c32)c1 ZINC000800803882 978846686 /nfs/dbraw/zinc/84/66/86/978846686.db2.gz OSORIYOXUOMDMW-UHFFFAOYSA-N -1 0 349.268 3.172 20 30 EGEDRM Cc1cccc(NC(=S)NN=C2CC[C@H](CC(=O)[O-])[C@H]2C)c1C ZINC000814706787 978875142 /nfs/dbraw/zinc/87/51/42/978875142.db2.gz FUSJLHRNXLVWQQ-CHWSQXEVSA-N -1 0 333.457 3.467 20 30 EGEDRM O=C([O-])c1cccc(C=NNCc2ccc(Br)cc2)c1 ZINC000814829490 978890105 /nfs/dbraw/zinc/89/01/05/978890105.db2.gz WQTNIFQFHNXLMD-UHFFFAOYSA-N -1 0 333.185 3.271 20 30 EGEDRM Cc1sc(C(=O)[O-])cc1COC(=O)c1c(F)cc(C#N)cc1F ZINC000833033195 979071515 /nfs/dbraw/zinc/07/15/15/979071515.db2.gz RTJSJAJKJKVTNV-UHFFFAOYSA-N -1 0 337.303 3.262 20 30 EGEDRM C[C@H]1C(N=Nc2cccc(Br)n2)CC[C@H]1CC(=O)[O-] ZINC000835023723 979245732 /nfs/dbraw/zinc/24/57/32/979245732.db2.gz OHIYEGZNMULQNV-BDAKNGLRSA-N -1 0 326.194 3.133 20 30 EGEDRM COCCc1nc(C)c(C(C)=NNc2cccc(C(=O)[O-])c2C)s1 ZINC000844623823 979397634 /nfs/dbraw/zinc/39/76/34/979397634.db2.gz MQQIYHIGTBORTL-UHFFFAOYSA-N -1 0 347.440 3.483 20 30 EGEDRM CCCCCCCC[C@H](C)C(=O)N1CC[C@H](OC)C[C@@H]1C(=O)[O-] ZINC000851622496 979555008 /nfs/dbraw/zinc/55/50/08/979555008.db2.gz BIHXTNHTPDHPSC-HRCADAONSA-N -1 0 327.465 3.464 20 30 EGEDRM C[C@@H](Cc1ccc(NC(=O)c2ccccc2OCC#N)cc1)C(=O)[O-] ZINC001592872810 979731881 /nfs/dbraw/zinc/73/18/81/979731881.db2.gz MAUNDUVPOLLPFQ-ZDUSSCGKSA-N -1 0 338.363 3.104 20 30 EGEDRM C=C(C)C[C@H](NC(=O)[C@H](F)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000864187752 979835129 /nfs/dbraw/zinc/83/51/29/979835129.db2.gz OCMKMVFIDWTVDU-NWDGAFQWSA-N -1 0 333.281 3.252 20 30 EGEDRM C=CCCCN(CC)S(=O)(=O)c1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000903553944 980975807 /nfs/dbraw/zinc/97/58/07/980975807.db2.gz DWZCUUVWSCYCEN-UHFFFAOYSA-N -1 0 339.457 3.026 20 30 EGEDRM CC[C@@H]1CCCC[C@H]1OCC(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001595448460 981098872 /nfs/dbraw/zinc/09/88/72/981098872.db2.gz QRVUKXYLCTVPAU-KYJSFNMBSA-N -1 0 345.395 3.213 20 30 EGEDRM C=C(C)[C@@H](CC(=O)N(Cc1ccccc1)C[C@@H](C)C(=O)[O-])OCC ZINC000908841795 981375003 /nfs/dbraw/zinc/37/50/03/981375003.db2.gz OBIVYOIGPDFYHZ-NVXWUHKLSA-N -1 0 333.428 3.107 20 30 EGEDRM C=C(C)[C@H](CC(=O)N[C@@](C)(CC(=O)[O-])c1cccc(F)c1)OCC ZINC000909682410 981570040 /nfs/dbraw/zinc/57/00/40/981570040.db2.gz ONQIOPFUUZLWMC-YJBOKZPZSA-N -1 0 337.391 3.003 20 30 EGEDRM C#CCC1(C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)CCCCC1 ZINC000910473060 981951281 /nfs/dbraw/zinc/95/12/81/981951281.db2.gz DEBMBPCLQKSGLM-SJORKVTESA-N -1 0 325.408 3.390 20 30 EGEDRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1sc2ccc(C#N)cc2c1C ZINC001594826165 981989795 /nfs/dbraw/zinc/98/97/95/981989795.db2.gz HIMRZUCHKSWIOS-KRWDZBQOSA-N -1 0 330.409 3.455 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1cnn(C2CCCC2)c1CC)C(=O)[O-] ZINC000910916250 982163451 /nfs/dbraw/zinc/16/34/51/982163451.db2.gz GEAFWVCAFYHORI-OAHLLOKOSA-N -1 0 333.432 3.100 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1ccc(Br)s1)C(=O)[O-] ZINC000910916577 982163488 /nfs/dbraw/zinc/16/34/88/982163488.db2.gz YQOXIWKGSMTFFL-MRVPVSSYSA-N -1 0 332.219 3.050 20 30 EGEDRM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000911152532 982261748 /nfs/dbraw/zinc/26/17/48/982261748.db2.gz YTWXENJTHCLIJA-RBUKOAKNSA-N -1 0 348.402 3.311 20 30 EGEDRM CCCCCCCCOCC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC001595704466 982275371 /nfs/dbraw/zinc/27/53/71/982275371.db2.gz PCUFWWKORCFCGS-HNNXBMFYSA-N -1 0 325.449 3.077 20 30 EGEDRM CC(C)(C(=O)[O-])c1ccc(NC(=O)[C@@]2(C#N)CC23CCCC3)cc1 ZINC000923065104 982703558 /nfs/dbraw/zinc/70/35/58/982703558.db2.gz WDJPBIGESOCXLP-IBGZPJMESA-N -1 0 326.396 3.461 20 30 EGEDRM C#C[C@@H](CCC)NC(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC001588370863 983322823 /nfs/dbraw/zinc/32/28/23/983322823.db2.gz PDWYMEGPAHAULL-AWEZNQCLSA-N -1 0 343.427 3.299 20 30 EGEDRM C#C[C@H](Nc1nccc(C(=O)[O-])c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC001588376359 983351541 /nfs/dbraw/zinc/35/15/41/983351541.db2.gz SMGMDUXLFLQETQ-LBPRGKRZSA-N -1 0 331.715 3.128 20 30 EGEDRM C#C[C@@H]1CCCCN1Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC001588382400 983371264 /nfs/dbraw/zinc/37/12/64/983371264.db2.gz OLZAECDGSJBZHE-MRXNPFEDSA-N -1 0 326.421 3.496 20 30 EGEDRM C#C[C@H]1CCCN(C(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)C1 ZINC001588382712 983373345 /nfs/dbraw/zinc/37/33/45/983373345.db2.gz FPZIWWDMTMRNFY-NSHDSACASA-N -1 0 332.425 3.202 20 30 EGEDRM C#CCC(C)(C)C(=O)NC[C@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC001588383611 983382841 /nfs/dbraw/zinc/38/28/41/983382841.db2.gz FUOYYFLSSUJOOX-SFHVURJKSA-N -1 0 337.419 3.249 20 30 EGEDRM C#CCN(C(=O)Cc1ccc(C(=O)[O-])cc1)[C@H]1CCCc2ccccc21 ZINC001588460110 983487151 /nfs/dbraw/zinc/48/71/51/983487151.db2.gz SKPITLCESYMAAK-FQEVSTJZSA-N -1 0 347.414 3.467 20 30 EGEDRM C#CCN(C(=O)c1ccoc1CC(=O)[O-])[C@H]1CCCc2ccccc21 ZINC001588461701 983490937 /nfs/dbraw/zinc/49/09/37/983490937.db2.gz XTXCWCYIVJBUFS-KRWDZBQOSA-N -1 0 337.375 3.060 20 30 EGEDRM C#CCOc1ccc(C(=O)N2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)cc1 ZINC001588498693 983544145 /nfs/dbraw/zinc/54/41/45/983544145.db2.gz CCVBMEZEBHOYMW-OALUTQOASA-N -1 0 349.386 3.129 20 30 EGEDRM C#CCOc1cccc(OC(=O)C23CCC(C(=O)[O-])(CC2)CC3)c1 ZINC001588503953 983545864 /nfs/dbraw/zinc/54/58/64/983545864.db2.gz AIGIQZWENDDLKI-UHFFFAOYSA-N -1 0 328.364 3.029 20 30 EGEDRM C#CCSc1ccc(COC(=O)C23CCC(C(=O)[O-])(CC2)C3)cc1 ZINC001588509846 983554037 /nfs/dbraw/zinc/55/40/37/983554037.db2.gz QSYUYAOAXQPNLH-UHFFFAOYSA-N -1 0 344.432 3.490 20 30 EGEDRM C#Cc1ccc(NC(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)c(Cl)c1 ZINC001588517522 983565138 /nfs/dbraw/zinc/56/51/38/983565138.db2.gz CIKKQHWBMFISBH-SJCJKPOMSA-N -1 0 332.787 3.040 20 30 EGEDRM C#Cc1ccccc1CC(=O)N[C@]1(C(=O)[O-])CC[C@H](C)c2ccccc21 ZINC001588528963 983579266 /nfs/dbraw/zinc/57/92/66/983579266.db2.gz NEWHLCXKCYIGPY-OYHNWAKOSA-N -1 0 347.414 3.204 20 30 EGEDRM C=C(C)C(C)(C)C(=O)N1CCN(c2ccc(C(=O)[O-])cc2)C[C@@H]1C ZINC001588529832 983582468 /nfs/dbraw/zinc/58/24/68/983582468.db2.gz HTLVBIXBNKEDJT-AWEZNQCLSA-N -1 0 330.428 3.024 20 30 EGEDRM C=C(C)C[C@H](NC(=O)N1CCC(Cc2ccccc2)CC1)C(=O)[O-] ZINC001588543308 983611242 /nfs/dbraw/zinc/61/12/42/983611242.db2.gz FUTTXCQPZIKUEN-KRWDZBQOSA-N -1 0 330.428 3.070 20 30 EGEDRM C=C(C)CNC(=S)Nc1cc(Br)cc(C(=O)[O-])c1C ZINC001588569924 983650306 /nfs/dbraw/zinc/65/03/06/983650306.db2.gz OUAPWHDOUUFXLG-UHFFFAOYSA-N -1 0 343.246 3.318 20 30 EGEDRM C=C(C)Cn1c(CC2CC2)nnc1N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC001588597142 983678447 /nfs/dbraw/zinc/67/84/47/983678447.db2.gz AJJWMRHDUPLCDR-UHFFFAOYSA-N -1 0 344.415 3.043 20 30 EGEDRM C=C(C)Cn1c(N(C)Cc2cc(C(=O)[O-])c(C)o2)nnc1C(C)(C)C ZINC001588598561 983684721 /nfs/dbraw/zinc/68/47/21/983684721.db2.gz GWMNMTKPUGSXKC-UHFFFAOYSA-N -1 0 346.431 3.388 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N(C)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC001588607161 983700177 /nfs/dbraw/zinc/70/01/77/983700177.db2.gz UWRHGJYHBHAWJV-WMZOPIPTSA-N -1 0 331.412 3.034 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N[C@H](C)COc1ccc(C(C)(C)C)cc1 ZINC001588619545 983717603 /nfs/dbraw/zinc/71/76/03/983717603.db2.gz WWBUSPONHQKVPE-CQSZACIVSA-N -1 0 333.428 3.289 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N[C@H](C)c1ccc(SCCOC)cc1 ZINC001588621309 983718954 /nfs/dbraw/zinc/71/89/54/983718954.db2.gz CCIXAQJDMHZCJM-CYBMUJFWSA-N -1 0 337.441 3.023 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N[C@H](c1ccccc1)c1ccc(OC)cc1 ZINC001588621716 983720572 /nfs/dbraw/zinc/72/05/72/983720572.db2.gz IPUVTQPJJCVLJP-LJQANCHMSA-N -1 0 339.391 3.322 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F ZINC001588622345 983723315 /nfs/dbraw/zinc/72/33/15/983723315.db2.gz WDEXEFUSILMMJF-LBPRGKRZSA-N -1 0 337.244 3.105 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)NCc1ccc(Cl)c(C(F)(F)F)c1 ZINC001588630108 983741181 /nfs/dbraw/zinc/74/11/81/983741181.db2.gz QUXXGPNUDAYPGL-UHFFFAOYSA-N -1 0 335.709 3.396 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc2sc(C(=O)OCC)cc2c1 ZINC001588633655 983750488 /nfs/dbraw/zinc/75/04/88/983750488.db2.gz LTYIWJHXFWYJMI-UHFFFAOYSA-N -1 0 347.392 3.438 20 30 EGEDRM C=C[C@H](C(=O)Nc1cc(CCC(=O)[O-])ccc1O)c1ccccc1 ZINC001588664754 983803674 /nfs/dbraw/zinc/80/36/74/983803674.db2.gz VNBHJIYLYZEULV-HNNXBMFYSA-N -1 0 325.364 3.318 20 30 EGEDRM C=CC(C)(C)CCCNS(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC001588676896 983832325 /nfs/dbraw/zinc/83/23/25/983832325.db2.gz ISNATPHOBDMCKJ-UHFFFAOYSA-N -1 0 345.848 3.309 20 30 EGEDRM C=CC[C@@H](CC)NC(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC001588735862 984020929 /nfs/dbraw/zinc/02/09/29/984020929.db2.gz NBQURXAKOZPVJZ-CYBMUJFWSA-N -1 0 341.411 3.289 20 30 EGEDRM C=CC[C@H](CC)NS(=O)(=O)c1cc2ccccc2cc1C(=O)[O-] ZINC001588736078 984022836 /nfs/dbraw/zinc/02/28/36/984022836.db2.gz RLVSJQBWAAVYGY-AWEZNQCLSA-N -1 0 333.409 3.171 20 30 EGEDRM C=CCC(C)(C)c1noc(-c2cc(C(=O)[O-])nn2-c2ccccc2)n1 ZINC001588736493 984025126 /nfs/dbraw/zinc/02/51/26/984025126.db2.gz LLUVZBFFESJMJL-UHFFFAOYSA-N -1 0 338.367 3.474 20 30 EGEDRM C=CCC(C)(C)Cn1c(CC(C)C)nnc1N1CCC[C@@H](C(=O)[O-])C1 ZINC001588736618 984025780 /nfs/dbraw/zinc/02/57/80/984025780.db2.gz PPSMAIZBAFSQKW-OAHLLOKOSA-N -1 0 348.491 3.380 20 30 EGEDRM C=CC[C@H](NC(=O)NCc1ccc(C(=O)[O-])cc1F)c1ccncc1 ZINC001588743526 984037973 /nfs/dbraw/zinc/03/79/73/984037973.db2.gz ZIOURLHPOAXURE-INIZCTEOSA-N -1 0 343.358 3.036 20 30 EGEDRM C=CC[C@@H](OC(=O)Cc1c2ccc(C)cc2oc1C(C)=O)C(=O)[O-] ZINC001588753708 984088120 /nfs/dbraw/zinc/08/81/20/984088120.db2.gz MBLZWWCEDLINBC-CQSZACIVSA-N -1 0 330.336 3.059 20 30 EGEDRM C=CC[C@H](OC(=O)c1ccccc1OCc1c(C)noc1C)C(=O)[O-] ZINC001588757096 984101199 /nfs/dbraw/zinc/10/11/99/984101199.db2.gz VGRLNBUWZNGKBQ-INIZCTEOSA-N -1 0 345.351 3.057 20 30 EGEDRM C=CC[C@H](Sc1ccc(S(=O)(=O)C(F)(F)F)cc1)C(=O)[O-] ZINC001588758728 984107431 /nfs/dbraw/zinc/10/74/31/984107431.db2.gz IZCAZTHDMYUVOB-JTQLQIEISA-N -1 0 340.344 3.102 20 30 EGEDRM C=CC[C@H](Sc1nnc(COc2ccccc2)n1CC=C)C(=O)[O-] ZINC001588762250 984115542 /nfs/dbraw/zinc/11/55/42/984115542.db2.gz HHPWUXRSTHRBKD-AWEZNQCLSA-N -1 0 345.424 3.165 20 30 EGEDRM C=CCC1(C(=O)OCc2ccc(C(=O)[O-])c(Cl)c2)CCOCC1 ZINC001588767343 984130003 /nfs/dbraw/zinc/13/00/03/984130003.db2.gz WGZRMBRJEHFISY-UHFFFAOYSA-N -1 0 338.787 3.454 20 30 EGEDRM C=CCCC[C@H](NC(=O)C[C@H]1OCc2cc(Cl)ccc21)C(=O)[O-] ZINC001588789016 984195408 /nfs/dbraw/zinc/19/54/08/984195408.db2.gz UXTRJJWFWNAPCN-LSDHHAIUSA-N -1 0 337.803 3.227 20 30 EGEDRM C=CCCC[C@H](NC(=O)[C@@H]1CC(C)(C)Oc2ccccc21)C(=O)[O-] ZINC001588790268 984205226 /nfs/dbraw/zinc/20/52/26/984205226.db2.gz UORBRBGJFXHMGJ-CABCVRRESA-N -1 0 331.412 3.257 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001588792805 984212831 /nfs/dbraw/zinc/21/28/31/984212831.db2.gz NSUMAKPPDDKUJF-CQSZACIVSA-N -1 0 334.372 3.258 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1ccc(Oc2ccccc2)nc1)C(=O)[O-] ZINC001588793426 984219009 /nfs/dbraw/zinc/21/90/09/984219009.db2.gz QMBLVLLWXQGJNX-MRXNPFEDSA-N -1 0 340.379 3.413 20 30 EGEDRM C=CCN(Cc1ccccc1)C(=O)NCc1cc(C(=O)[O-])c(C)o1 ZINC001588832906 984327359 /nfs/dbraw/zinc/32/73/59/984327359.db2.gz WUJOHVWBCNBJEO-UHFFFAOYSA-N -1 0 328.368 3.184 20 30 EGEDRM C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H](C)/C=C/C(=O)[O-] ZINC001588874769 984448966 /nfs/dbraw/zinc/44/89/66/984448966.db2.gz FWRIJLZVGUVNGK-LJJSCBMDSA-N -1 0 343.301 3.029 20 30 EGEDRM C=CCc1cc(C(=O)OC2CCC(C(=O)[O-])CC2)cc(OC)c1OC ZINC001588884774 984464194 /nfs/dbraw/zinc/46/41/94/984464194.db2.gz AUWVBPJMKMZQDW-UHFFFAOYSA-N -1 0 348.395 3.233 20 30 EGEDRM C=CCn1c(CCC2CCCCC2)nnc1N1CCC(C(=O)[O-])CC1 ZINC001588897700 984512303 /nfs/dbraw/zinc/51/23/03/984512303.db2.gz MRCAOZHFXRRDDA-UHFFFAOYSA-N -1 0 346.475 3.278 20 30 EGEDRM C=CCn1c(S[C@H](CC(C)C)C(=O)[O-])nnc1-c1cccnc1 ZINC001588905526 984536836 /nfs/dbraw/zinc/53/68/36/984536836.db2.gz XRHKMASFPXXFMV-CYBMUJFWSA-N -1 0 332.429 3.118 20 30 EGEDRM C=CCn1ncc2ccc(NC(=O)c3c(C)[nH]c(C(=O)[O-])c3C)cc21 ZINC001588912680 984552293 /nfs/dbraw/zinc/55/22/93/984552293.db2.gz MSTKNNQWVKGFMF-UHFFFAOYSA-N -1 0 338.367 3.118 20 30 EGEDRM CC(=NO[C@@H](C)c1nc(C(C)C)no1)c1ccc(OCC(=O)[O-])cc1 ZINC001589017426 985004257 /nfs/dbraw/zinc/00/42/57/985004257.db2.gz NRVMAWXMXQRVAJ-LBPRGKRZSA-N -1 0 347.371 3.158 20 30 EGEDRM CC(=NNc1ncnc2sc3c(c21)CCC3)c1cc(C(=O)[O-])co1 ZINC001589017528 985005422 /nfs/dbraw/zinc/00/54/22/985005422.db2.gz UHHUPBSVRZIALH-UHFFFAOYSA-N -1 0 342.380 3.307 20 30 EGEDRM C[C@]1(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)C[C@@H]1c1ccccc1 ZINC001599937961 985419420 /nfs/dbraw/zinc/41/94/20/985419420.db2.gz RLIPDQVSACNMSI-UWVAXJGDSA-N -1 0 335.359 3.421 20 30 EGEDRM Cc1[nH]c(-c2ccccc2)nc1C(=O)C=Cc1cc(C(=O)[O-])n(C)c1 ZINC001599939172 985433254 /nfs/dbraw/zinc/43/32/54/985433254.db2.gz FVIUXUUATBOMAZ-HJWRWDBZSA-N -1 0 335.363 3.318 20 30 EGEDRM Cc1[nH]c(C#N)cc1C(=O)N[C@@H](CC(=O)[O-])c1ccc2ccccc2c1 ZINC001599943060 985479753 /nfs/dbraw/zinc/47/97/53/985479753.db2.gz ZLBCONWFZXSQFA-SFHVURJKSA-N -1 0 347.374 3.294 20 30 EGEDRM C[C@H](C#N)CN(Cc1c2cc(F)ccc2n(C)c1C(=O)[O-])C1CC1 ZINC001589330433 986172401 /nfs/dbraw/zinc/17/24/01/986172401.db2.gz FBAGFAUPYPHKJF-LLVKDONJSA-N -1 0 329.375 3.140 20 30 EGEDRM CCOc1ccc(C[C@H](CNc2snc(C)c2C#N)C(=O)[O-])cc1 ZINC001597095842 986697561 /nfs/dbraw/zinc/69/75/61/986697561.db2.gz QTEBCCQUYQVDDW-CYBMUJFWSA-N -1 0 345.424 3.077 20 30 EGEDRM CCOc1ccc([N+](=O)[O-])cc1NCc1cccc(C(=O)[O-])c1C#N ZINC001597142858 986893857 /nfs/dbraw/zinc/89/38/57/986893857.db2.gz NLRHZNFDAPRUSE-UHFFFAOYSA-N -1 0 341.323 3.175 20 30 EGEDRM CCC(N=Nc1cc(C(=O)[O-])ccc1Br)c1cn[nH]c1 ZINC001594693971 987105121 /nfs/dbraw/zinc/10/51/21/987105121.db2.gz JMUJVSAJEVBOMO-UHFFFAOYSA-N -1 0 337.177 3.097 20 30 EGEDRM CCC(=O)N(C)c1ccc(N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC001594694909 987109879 /nfs/dbraw/zinc/10/98/79/987109879.db2.gz BNGDWZUNTYLQNP-GOSISDBHSA-N -1 0 337.379 3.169 20 30 EGEDRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)c1 ZINC001589522998 987184615 /nfs/dbraw/zinc/18/46/15/987184615.db2.gz RNTVNPYLNWCVOB-CXAGYDPISA-N -1 0 347.374 3.067 20 30 EGEDRM CC(C)(C#N)c1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccsc2)cc1 ZINC001589557390 987305767 /nfs/dbraw/zinc/30/57/67/987305767.db2.gz CBMSINKMJMDQBT-CQSZACIVSA-N -1 0 328.393 3.105 20 30 EGEDRM CC(C)(C#N)c1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@@H]32)cc1 ZINC001589558386 987310249 /nfs/dbraw/zinc/31/02/49/987310249.db2.gz PBKYZQNETBESFS-ULQDDVLXSA-N -1 0 340.423 3.203 20 30 EGEDRM CCc1ccc(C#CC(=O)Nc2cc(COC)cc(C(=O)[O-])c2)cc1 ZINC001597495313 988042238 /nfs/dbraw/zinc/04/22/38/988042238.db2.gz SPUMBPIBSSIXIE-UHFFFAOYSA-N -1 0 337.375 3.084 20 30 EGEDRM CCc1ccc([C@@H](C#N)N(C)C(=O)/C=C\c2cc(C(=O)[O-])co2)cc1 ZINC001597508300 988086288 /nfs/dbraw/zinc/08/62/88/988086288.db2.gz LYXUOYGFMMKTNA-XZVRFQMRSA-N -1 0 338.363 3.277 20 30 EGEDRM CSCc1ccc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC001599802719 988203158 /nfs/dbraw/zinc/20/31/58/988203158.db2.gz XPNGMXZHHXRDKP-MRXNPFEDSA-N -1 0 341.388 3.404 20 30 EGEDRM CCc1ccc(NC(=O)c2ncc(C#N)cc2Cl)c(C(=O)[O-])c1 ZINC001597551448 988274658 /nfs/dbraw/zinc/27/46/58/988274658.db2.gz HBJPYHADGBHVFK-UHFFFAOYSA-N -1 0 329.743 3.120 20 30 EGEDRM CSc1ccc(NC(=O)N(C)[C@H]2CCC[C@@H]2C#N)cc1C(=O)[O-] ZINC001599816671 988437863 /nfs/dbraw/zinc/43/78/63/988437863.db2.gz KTPOLDVPZXSUAY-MFKMUULPSA-N -1 0 333.413 3.263 20 30 EGEDRM CSc1ccc(NC(=O)N(C)[C@@H]2CCC[C@@H]2C#N)cc1C(=O)[O-] ZINC001599816672 988437965 /nfs/dbraw/zinc/43/79/65/988437965.db2.gz KTPOLDVPZXSUAY-ZWNOBZJWSA-N -1 0 333.413 3.263 20 30 EGEDRM CSc1ccc(NC(=O)N(C)[C@H]2CCC[C@H]2C#N)cc1C(=O)[O-] ZINC001599816669 988438278 /nfs/dbraw/zinc/43/82/78/988438278.db2.gz KTPOLDVPZXSUAY-GWCFXTLKSA-N -1 0 333.413 3.263 20 30 EGEDRM CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)c2coc(C#N)c2)cc1 ZINC001590480966 990071496 /nfs/dbraw/zinc/07/14/96/990071496.db2.gz XXAFCYQCTANUGV-MRXNPFEDSA-N -1 0 340.379 3.395 20 30 EGEDRM CC(C)(C)c1nc(C(=O)OCc2cccc(C(=O)[O-])c2C#N)cs1 ZINC001590537127 990151532 /nfs/dbraw/zinc/15/15/32/990151532.db2.gz BHXDZIUAPWSGGM-UHFFFAOYSA-N -1 0 344.392 3.367 20 30 EGEDRM CC(C)(C)c1ncc(/C=C2/CCn3nc(C(=O)[O-])cc3C2=O)s1 ZINC001590550852 990190279 /nfs/dbraw/zinc/19/02/79/990190279.db2.gz MNDXTARIBLRHHJ-TWGQIWQCSA-N -1 0 331.397 3.005 20 30 EGEDRM CC(C)(CNC(=O)N[C@H](CCCC#N)c1ccccc1)CC(=O)[O-] ZINC001590723800 990506104 /nfs/dbraw/zinc/50/61/04/990506104.db2.gz GCLDBCVYEIQTJM-OAHLLOKOSA-N -1 0 331.416 3.222 20 30 EGEDRM CC(C)(Oc1ccccc1)C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001590907478 990874628 /nfs/dbraw/zinc/87/46/28/990874628.db2.gz XYSVGFDLWJPFCL-INIZCTEOSA-N -1 0 339.347 3.085 20 30 EGEDRM CN(C)c1cc(C#N)cc(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC001598288130 991193024 /nfs/dbraw/zinc/19/30/24/991193024.db2.gz RHGNALNLXMWQTQ-UHFFFAOYSA-N -1 0 343.770 3.228 20 30 EGEDRM CC(C)[C@@H](Cc1ccccc1)NN=Cc1cccn1[C@H](C)C(=O)[O-] ZINC001590993082 991210039 /nfs/dbraw/zinc/21/00/39/991210039.db2.gz GQCSPQINHKLWBM-CRAIPNDOSA-N -1 0 327.428 3.325 20 30 EGEDRM CC(C)Cn1ncc(Nc2ccc(C(=O)[O-])nc2C#N)c1C(F)F ZINC001591533235 992709619 /nfs/dbraw/zinc/70/96/19/992709619.db2.gz DTYTXUMGYFFLLP-UHFFFAOYSA-N -1 0 335.314 3.185 20 30 EGEDRM CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC001591596596 992823798 /nfs/dbraw/zinc/82/37/98/992823798.db2.gz ITFSSENYMXZTFK-NTMALXAHSA-N -1 0 338.363 3.300 20 30 EGEDRM COc1ccc2c(c1)C(C)(C)/C(=C\c1cc(C(=O)[O-])n(C)c1)C2=O ZINC001599625568 994143083 /nfs/dbraw/zinc/14/30/83/994143083.db2.gz RPNWTUUASZEBBX-CHHVJCJISA-N -1 0 325.364 3.289 20 30 EGEDRM CC1(C)CCC[C@](NC(=O)c2[nH]c3ccccc3c2C#N)(C(=O)[O-])C1 ZINC001593892274 996740652 /nfs/dbraw/zinc/74/06/52/996740652.db2.gz KSFKJHSNZXUVOZ-LJQANCHMSA-N -1 0 339.395 3.193 20 30 EGEDRM COc1ccc(C(=O)[O-])c(NC(=O)c2cc(C)c(C#N)c(C)c2)c1F ZINC001599490246 996925259 /nfs/dbraw/zinc/92/52/59/996925259.db2.gz SZUCIEFYISZBCN-UHFFFAOYSA-N -1 0 342.326 3.273 20 30 EGEDRM CON=Cc1ccc(C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)cc1 ZINC001599320466 997572712 /nfs/dbraw/zinc/57/27/12/997572712.db2.gz GETRDLGAYLIHGD-ZDUSSCGKSA-N -1 0 340.379 3.182 20 30 EGEDRM COc1ccc(/C=C\C(=O)[O-])cc1OC(=O)/C=C/c1ccccc1C#N ZINC001599544878 997906772 /nfs/dbraw/zinc/90/67/72/997906772.db2.gz VFVNXOGUXKAPFN-BDLVGCLISA-N -1 0 349.342 3.283 20 30 EGEDRM COc1ccc(/C=C/C(=O)[O-])cc1OC(=O)c1ccc(CC#N)cc1 ZINC001599546454 997930963 /nfs/dbraw/zinc/93/09/63/997930963.db2.gz NWODUTNTXHTNOW-WEVVVXLNSA-N -1 0 337.331 3.078 20 30 EGEDRM COc1ccc(/C=C\C(=O)[O-])cc1Oc1ccc(C#N)c([N+](=O)[O-])c1 ZINC001599547033 997940209 /nfs/dbraw/zinc/94/02/09/997940209.db2.gz QVPSQYFGAWTSHV-CLTKARDFSA-N -1 0 340.291 3.365 20 30 EGEDRM COCCN(CCC#N)Cc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC001599235696 997941336 /nfs/dbraw/zinc/94/13/36/997941336.db2.gz LORQSDWSEOCSNZ-UHFFFAOYSA-N -1 0 328.368 3.007 20 30 EGEDRM COc1cc(Oc2ncc(C#N)cc2Br)ccc1C(=O)[O-] ZINC001599457325 998210225 /nfs/dbraw/zinc/21/02/25/998210225.db2.gz FKBOJJPHBNLWLC-UHFFFAOYSA-N -1 0 349.140 3.215 20 30 EGEDRM COCCOCc1cc(C#N)ccc1NCc1cccc(C(=O)[O-])c1 ZINC001599251544 998239968 /nfs/dbraw/zinc/23/99/68/998239968.db2.gz LPOZHIVADIDNFK-UHFFFAOYSA-N -1 0 340.379 3.032 20 30 EGEDRM COCCn1c(C)c(C)nc1SCc1cccc(C(=O)[O-])c1C#N ZINC001599270046 998535196 /nfs/dbraw/zinc/53/51/96/998535196.db2.gz QNDKVTVLNQUKJE-UHFFFAOYSA-N -1 0 345.424 3.009 20 30 EGEDRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC001594158592 998587572 /nfs/dbraw/zinc/58/75/72/998587572.db2.gz JQOSWBAPIVWRFY-KXBFYZLASA-N -1 0 333.387 3.022 20 30 EGEDRM C[C@H]1[C@@H](C(=O)[O-])CCN1c1c(C#N)cnc2c(F)ccc(Cl)c21 ZINC001594170890 998656649 /nfs/dbraw/zinc/65/66/49/998656649.db2.gz LWGQTIOYRJOLJI-WPRPVWTQSA-N -1 0 333.750 3.198 20 30 EGEDRM C[C@@H]1[C@@H](C(=O)[O-])CCN1c1c(C#N)cnc2ccc(OC(F)F)cc21 ZINC001594170990 998656785 /nfs/dbraw/zinc/65/67/85/998656785.db2.gz NZAYOCAASWBSPD-SKDRFNHKSA-N -1 0 347.321 3.007 20 30 EGEDRM C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001594172847 998663789 /nfs/dbraw/zinc/66/37/89/998663789.db2.gz HZJCEGPYHZOUIX-JUKXBJQTSA-N -1 0 335.359 3.277 20 30 EGEDRM COC(=O)c1coc(/C=C2\CC/C(=C\c3cc(C(=O)[O-])co3)C2=O)c1 ZINC001599013951 998922474 /nfs/dbraw/zinc/92/24/74/998922474.db2.gz HKYWNNHHZXVAIQ-ZVSIBQGLSA-N -1 0 342.303 3.187 20 30 EGEDRM Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@H](C)[C@H]1c1ccccc1 ZINC000173969435 231086116 /nfs/dbraw/zinc/08/61/16/231086116.db2.gz YDPYCFNDXCZMKM-RBZFPXEDSA-N -1 0 349.434 3.016 20 30 EGEDRM O=C([O-])c1ccc(/C=C/C(=O)c2cccc(N3CCOC3=O)c2)cc1 ZINC000058344365 214557402 /nfs/dbraw/zinc/55/74/02/214557402.db2.gz BUXULTFETBDRLP-RMKNXTFCSA-N -1 0 337.331 3.238 20 30 EGEDRM CC(C)=CC(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000058411696 214576696 /nfs/dbraw/zinc/57/66/96/214576696.db2.gz NDHJGKYIZHTBQJ-UHFFFAOYSA-N -1 0 332.303 3.188 20 30 EGEDRM C[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000071883899 215920811 /nfs/dbraw/zinc/92/08/11/215920811.db2.gz OVKUIJLNPORBGS-XPUUQOCRSA-N -1 0 325.283 3.146 20 30 EGEDRM C=CCN1C(=O)c2ccccc2N[C@H]1c1ccc([O-])c([N+](=O)[O-])c1 ZINC000024034871 212405000 /nfs/dbraw/zinc/40/50/00/212405000.db2.gz XKEFJQFLSJSPIY-MRXNPFEDSA-N -1 0 325.324 3.053 20 30 EGEDRM CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2cc(C#N)ccc2C)c1C ZINC000359635263 141393956 /nfs/dbraw/zinc/39/39/56/141393956.db2.gz GPRDIXAFJUILBB-GFCCVEGCSA-N -1 0 332.429 3.143 20 30 EGEDRM Cc1c2ccc(F)cc2sc1C(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC000351304599 144261937 /nfs/dbraw/zinc/26/19/37/144261937.db2.gz PTYRQXOWGFWZFB-UHFFFAOYSA-N -1 0 325.328 3.068 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)N[C@H]2CCc3cc(C)ccc32)cc1C#N ZINC000351396638 144263693 /nfs/dbraw/zinc/26/36/93/144263693.db2.gz JYUJIGUTWISGGA-HNNXBMFYSA-N -1 0 339.420 3.107 20 30 EGEDRM N#Cc1cncc(S(=O)(=O)[N-]c2ccc3c4c(cccc42)CC3)c1 ZINC000357023566 144326678 /nfs/dbraw/zinc/32/66/78/144326678.db2.gz XHLWQKTXIQVPPS-UHFFFAOYSA-N -1 0 335.388 3.006 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)N[C@@H](C)c2ccc(C)cc2)cc1C#N ZINC000074365282 161685516 /nfs/dbraw/zinc/68/55/16/161685516.db2.gz IGCGJWZCURKMAF-NSHDSACASA-N -1 0 327.409 3.180 20 30 EGEDRM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C#N)cc1 ZINC000343815790 164041589 /nfs/dbraw/zinc/04/15/89/164041589.db2.gz ZGXIUPFNTBTMEA-UHFFFAOYSA-N -1 0 328.393 3.198 20 30 EGEDRM Cc1cc([N-]S(=O)(=O)c2ccccc2Cl)c(C#N)cc1N(C)C ZINC000357486970 166692794 /nfs/dbraw/zinc/69/27/94/166692794.db2.gz SQLYRUSECIOXBD-UHFFFAOYSA-N -1 0 349.843 3.387 20 30 EGEDRM CCc1ncc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)s1 ZINC000359090987 167063339 /nfs/dbraw/zinc/06/33/39/167063339.db2.gz VGUPEVGRAXNHGA-UHFFFAOYSA-N -1 0 327.818 3.031 20 30 EGEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C)c(F)c(C)c1 ZINC000359149510 167081345 /nfs/dbraw/zinc/08/13/45/167081345.db2.gz ZBVHOSULHRSQDD-UHFFFAOYSA-N -1 0 334.372 3.124 20 30 EGEDRM N#Cc1ccc(NCc2nc(C(F)(F)F)n[nH]2)c(Br)c1 ZINC000359671304 167206321 /nfs/dbraw/zinc/20/63/21/167206321.db2.gz AKRUUGBEOFDSQF-UHFFFAOYSA-N -1 0 346.110 3.070 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3ccoc3c2)c([N+](=O)[O-])c1 ZINC000442855166 269968655 /nfs/dbraw/zinc/96/86/55/269968655.db2.gz WZAZQTRVEVYFKE-UHFFFAOYSA-N -1 0 343.320 3.013 20 30 EGEDRM CC(C)(C)C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)C(F)(F)F ZINC000435432227 270051242 /nfs/dbraw/zinc/05/12/42/270051242.db2.gz HYDIMAYIHJZDGQ-SECBINFHSA-N -1 0 340.392 3.265 20 30 EGEDRM CC(=Cc1csc(Br)c1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000435340635 270051268 /nfs/dbraw/zinc/05/12/68/270051268.db2.gz LCJUABUAFGSYQG-XVNBXDOJSA-N -1 0 336.214 3.335 20 30 EGEDRM COc1ccc(NC(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)c(O)c1 ZINC000442696216 270052235 /nfs/dbraw/zinc/05/22/35/270052235.db2.gz PPLWGUMKTYYPAC-UHFFFAOYSA-N -1 0 348.362 3.019 20 30 EGEDRM CC(C)c1ccc(S(=O)(=O)[N-]c2nc3c(cc2C#N)CCC3)cc1 ZINC000332710385 265920415 /nfs/dbraw/zinc/92/04/15/265920415.db2.gz ZWPBTZQPICNXQX-UHFFFAOYSA-N -1 0 341.436 3.366 20 30 EGEDRM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000179029281 267289526 /nfs/dbraw/zinc/28/95/26/267289526.db2.gz KHDZUMZUGAIMRW-UHFFFAOYSA-N -1 0 326.299 3.085 20 30 EGEDRM C[C@@H]1C[C@H](C(=O)[O-])CN(c2c(C#N)cnc3c(F)c(F)c(F)cc32)C1 ZINC000263230390 297343909 /nfs/dbraw/zinc/34/39/09/297343909.db2.gz QMFHBIPICPEDIP-BDAKNGLRSA-N -1 0 349.312 3.071 20 30 EGEDRM Cc1cc(F)cc2c1ncc(C#N)c2N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263086073 301307062 /nfs/dbraw/zinc/30/70/62/301307062.db2.gz BSPFEQJTZKCWMO-ZYHUDNBSSA-N -1 0 327.359 3.101 20 30 EGEDRM N#Cc1cnc2ccc(OC(F)F)cc2c1N1CCC(C(=O)[O-])CC1 ZINC000263530385 303213550 /nfs/dbraw/zinc/21/35/50/303213550.db2.gz WDWGYKUNAJQQBO-UHFFFAOYSA-N -1 0 347.321 3.009 20 30 EGEDRM CCc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)cc1C ZINC000539856671 314345359 /nfs/dbraw/zinc/34/53/59/314345359.db2.gz UKDMHGNXBOQUNG-UHFFFAOYSA-N -1 0 345.380 3.138 20 30 EGEDRM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cnc2c(c1)CCCC2 ZINC000543858365 314660284 /nfs/dbraw/zinc/66/02/84/314660284.db2.gz OCOLNILPHYRMHA-UHFFFAOYSA-N -1 0 347.827 3.286 20 30 EGEDRM Cc1ccc(-c2cc(=NC(=O)c3ccc(Cl)c(C#N)c3)[nH][n-]2)o1 ZINC000565461032 316326116 /nfs/dbraw/zinc/32/61/16/316326116.db2.gz JIXVJHKFRKEQQR-UHFFFAOYSA-N -1 0 326.743 3.177 20 30 EGEDRM C[C@H](C#N)CNCc1cc(Br)c([O-])c(Br)c1 ZINC000235124147 456150187 /nfs/dbraw/zinc/15/01/87/456150187.db2.gz PYHUWORIHBBEJD-SSDOTTSWSA-N -1 0 348.038 3.166 20 30 EGEDRM C=CCOc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2)cc1 ZINC000237986383 455241550 /nfs/dbraw/zinc/24/15/50/455241550.db2.gz KOEOVOASLLMQAM-KRWDZBQOSA-N -1 0 325.364 3.197 20 30 EGEDRM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)C[C@@H]3CCCO3)c2)c1 ZINC000238200002 455257986 /nfs/dbraw/zinc/25/79/86/455257986.db2.gz OEYKMSWERCUGIC-IBGZPJMESA-N -1 0 349.386 3.292 20 30 EGEDRM C=CCn1c(=O)c2ccc(C(=O)N(CC)CCCC)cc2[n-]c1=S ZINC000028664349 453824215 /nfs/dbraw/zinc/82/42/15/453824215.db2.gz SEDSOQDYEHZDNZ-UHFFFAOYSA-N -1 0 345.468 3.133 20 30 EGEDRM Cc1cc(N2CCOCC2)ccc1/N=C/c1cc([N+](=O)[O-])ccc1[O-] ZINC000075533409 453901432 /nfs/dbraw/zinc/90/14/32/453901432.db2.gz JLVRDTLVKNMFCL-XDHOZWIPSA-N -1 0 341.367 3.196 20 30 EGEDRM CC(C)(C)c1ccc(SCC(=O)Nc2nc(C#N)c(C#N)[n-]2)cc1 ZINC000075555024 453905313 /nfs/dbraw/zinc/90/53/13/453905313.db2.gz DOFFBAFTHQMPMA-UHFFFAOYSA-N -1 0 339.424 3.181 20 30 EGEDRM CCOC(=O)Nc1ccc(C([O-])=C(C#N)c2cc(C)nc(C)n2)cc1 ZINC000041562330 453972227 /nfs/dbraw/zinc/97/22/27/453972227.db2.gz NAGTWSRDZDWOSP-HNNXBMFYSA-N -1 0 338.367 3.152 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)CCC(F)(F)F)cc1N(C)C ZINC000084185461 453975486 /nfs/dbraw/zinc/97/54/86/453975486.db2.gz GWDSNHLNMLOJBE-UHFFFAOYSA-N -1 0 338.351 3.049 20 30 EGEDRM N#CCCCOc1cccc([N-]S(=O)(=O)c2ccccc2C#N)c1 ZINC000055640101 454001645 /nfs/dbraw/zinc/00/16/45/454001645.db2.gz KNYUDPWUIDFNHX-UHFFFAOYSA-N -1 0 341.392 3.042 20 30 EGEDRM O=C(C=Cc1cccc([N+](=O)[O-])c1)[N-]S(=O)(=O)c1cccs1 ZINC000042244295 454002564 /nfs/dbraw/zinc/00/25/64/454002564.db2.gz PMNHPZBUJXHYRE-VOTSOKGWSA-N -1 0 338.366 3.015 20 30 EGEDRM COCCOc1ccccc1C(=O)[C@@H](C#N)c1cnc2ccccc2n1 ZINC000190890676 455398506 /nfs/dbraw/zinc/39/85/06/455398506.db2.gz VYQXGOINXHADHE-HNNXBMFYSA-N -1 0 347.374 3.145 20 30 EGEDRM C=CCS(=O)(=O)[N-]C(=O)C=Cc1ccccc1OC(F)(F)F ZINC000089288268 454133952 /nfs/dbraw/zinc/13/39/52/454133952.db2.gz RSHXVSFKHXIZIE-BQYQJAHWSA-N -1 0 335.303 3.071 20 30 EGEDRM Cc1ccc(-c2cc(C([O-])=C(C#N)c3cnc4ccccc4n3)n[nH]2)o1 ZINC000190996850 455422369 /nfs/dbraw/zinc/42/23/69/455422369.db2.gz JFJYEUVEKGQENM-LBPRGKRZSA-N -1 0 343.346 3.411 20 30 EGEDRM CC(C)Cn1ncc(C(=O)[N-]S(=O)(=O)c2ccccc2)c1C1CC1 ZINC000095454193 454214658 /nfs/dbraw/zinc/21/46/58/454214658.db2.gz BUOSXGMHXGUKPX-UHFFFAOYSA-N -1 0 347.440 3.110 20 30 EGEDRM COc1ccc(S(=O)(=O)[N-]C(=O)C=Cc2ccncc2)c(C)c1C ZINC000079154272 454375726 /nfs/dbraw/zinc/37/57/26/454375726.db2.gz FVWIIQVBQUTFIC-QPJJXVBHSA-N -1 0 346.408 3.066 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)C=Cc2cscn2)cc1Cl ZINC000080298507 454564118 /nfs/dbraw/zinc/56/41/18/454564118.db2.gz RNKNZEBCKVUQCY-HWKANZROSA-N -1 0 342.829 3.464 20 30 EGEDRM CCC(CC)CN(CCC#N)Cc1c([O-])nnn1-c1ccccc1 ZINC000104654968 454593533 /nfs/dbraw/zinc/59/35/33/454593533.db2.gz GLPWYCKNDJKDBZ-UHFFFAOYSA-N -1 0 327.432 3.125 20 30 EGEDRM CC(=O)N1CCC(C/N=C/c2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000105356785 454635810 /nfs/dbraw/zinc/63/58/10/454635810.db2.gz OHWMHPTZYLZWPR-GIJQJNRQSA-N -1 0 329.227 3.376 20 30 EGEDRM CCOc1cccnc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000093243580 454695382 /nfs/dbraw/zinc/69/53/82/454695382.db2.gz KAUVPSPRUFYIKC-LLVKDONJSA-N -1 0 335.285 3.384 20 30 EGEDRM Cc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OC(C)(C)O3)c1C#N ZINC000137268513 454774361 /nfs/dbraw/zinc/77/43/61/454774361.db2.gz IRRRZWCLEXDNIN-UHFFFAOYSA-N -1 0 344.392 3.175 20 30 EGEDRM CC(C)(C)c1[n-]n(Cc2noc3c2CCCC3)c(=O)c1CCC#N ZINC000153456208 454795201 /nfs/dbraw/zinc/79/52/01/454795201.db2.gz RJWXISRRXMVNMK-UHFFFAOYSA-N -1 0 328.416 3.257 20 30 EGEDRM C=CCN(CCc1ccccc1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164408910 454881309 /nfs/dbraw/zinc/88/13/09/454881309.db2.gz GQHZWQZUMTUIBJ-UHFFFAOYSA-N -1 0 326.352 3.171 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2sc(-c3cnn(C)c3)nc2C)n1 ZINC000115901105 455036276 /nfs/dbraw/zinc/03/62/76/455036276.db2.gz VPPWZQMWFMNDJX-LLVKDONJSA-N -1 0 343.437 3.107 20 30 EGEDRM Cc1nc2n(n1)C[C@@H](/N=C/c1cc(Cl)cc(Cl)c1[O-])CC2 ZINC000171252991 455051833 /nfs/dbraw/zinc/05/18/33/455051833.db2.gz DMGMQUGTRAVSQF-HMVWTOQKSA-N -1 0 325.199 3.033 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cnoc2-c2ccccc2)cc1 ZINC000179524640 455055085 /nfs/dbraw/zinc/05/50/85/455055085.db2.gz GQDAOPUJSOSYSG-UHFFFAOYSA-N -1 0 325.349 3.014 20 30 EGEDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)cc1C ZINC000155910689 455060340 /nfs/dbraw/zinc/06/03/40/455060340.db2.gz MOSNNLNVLIBSJI-UHFFFAOYSA-N -1 0 349.343 3.023 20 30 EGEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000156001829 455071182 /nfs/dbraw/zinc/07/11/82/455071182.db2.gz ORBMVWVWXWPJBV-UHFFFAOYSA-N -1 0 342.351 3.137 20 30 EGEDRM CC[C@@H](CC#N)NC(=O)c1cc(Br)cc(Cl)c1[O-] ZINC000184160433 455357076 /nfs/dbraw/zinc/35/70/76/455357076.db2.gz WSWLJDIXLRJZIK-QMMMGPOBSA-N -1 0 331.597 3.230 20 30 EGEDRM CC[C@H](CC#N)NC(=O)c1cc(Br)cc(Cl)c1[O-] ZINC000184160454 455357330 /nfs/dbraw/zinc/35/73/30/455357330.db2.gz WSWLJDIXLRJZIK-MRVPVSSYSA-N -1 0 331.597 3.230 20 30 EGEDRM N#CC(=C([O-])c1ccn(-c2ccccc2)n1)c1cnc2ccccc2n1 ZINC000190936612 455409020 /nfs/dbraw/zinc/40/90/20/455409020.db2.gz YAAJSGIALGXKGZ-HNNXBMFYSA-N -1 0 339.358 3.306 20 30 EGEDRM N#CC1(C(=O)Nc2cc(Cl)cc(Br)c2[O-])CCC1 ZINC000267311502 455536874 /nfs/dbraw/zinc/53/68/74/455536874.db2.gz DMXHSVQXCLVXPJ-UHFFFAOYSA-N -1 0 329.581 3.440 20 30 EGEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1nc(C2CCC2)cs1 ZINC000278114182 455761684 /nfs/dbraw/zinc/76/16/84/455761684.db2.gz AFNWFNLNLHWCPH-UHFFFAOYSA-N -1 0 333.438 3.392 20 30 EGEDRM N#CC(=C([O-])c1cc(C2CC2)[nH]n1)c1nc(-c2ccncc2)cs1 ZINC000194181845 455812513 /nfs/dbraw/zinc/81/25/13/455812513.db2.gz CYMMIDMTNQKHKJ-LBPRGKRZSA-N -1 0 335.392 3.296 20 30 EGEDRM C[C@H]1C[C@H]1c1n[n-]c(=NCc2cn(CCC#N)nc2-c2ccccc2)o1 ZINC000601063758 460696105 /nfs/dbraw/zinc/69/61/05/460696105.db2.gz JBGWCJRFKOZXMY-XJKSGUPXSA-N -1 0 348.410 3.004 20 30 EGEDRM COc1ccc(NC(=O)C(C#N)=C([O-])c2cnc(C)s2)cc1Cl ZINC000194680543 455873196 /nfs/dbraw/zinc/87/31/96/455873196.db2.gz QVRNCGIVDLLRLQ-JTQLQIEISA-N -1 0 349.799 3.075 20 30 EGEDRM C[C@H](COCC(F)(F)F)[N-]C(=O)C(F)(F)c1c(F)cccc1F ZINC000270201935 455901327 /nfs/dbraw/zinc/90/13/27/455901327.db2.gz JUKMYJNEJZYIRQ-SSDOTTSWSA-N -1 0 347.230 3.140 20 30 EGEDRM CCOc1ccc(OCC)c(NC(=O)c2ccc(C#N)c([O-])c2)c1 ZINC000188234947 456026885 /nfs/dbraw/zinc/02/68/85/456026885.db2.gz IWGDGHRJEZPGLS-UHFFFAOYSA-N -1 0 326.352 3.314 20 30 EGEDRM C=CCC[C@H](NC(=O)[C@H](C)Sc1ccc(Cl)cc1)C(=O)[O-] ZINC000262893093 456066782 /nfs/dbraw/zinc/06/67/82/456066782.db2.gz LQAWBCAJFLTVIQ-GWCFXTLKSA-N -1 0 327.833 3.356 20 30 EGEDRM C=CCC[C@H](NC(=O)CCCc1nc2ccccc2s1)C(=O)[O-] ZINC000262924494 456068629 /nfs/dbraw/zinc/06/86/29/456068629.db2.gz OIHQRGSZAIWCJH-ZDUSSCGKSA-N -1 0 332.425 3.155 20 30 EGEDRM C=CCC[C@H](NC(=O)[C@H]1C[C@H]1c1c(F)cccc1Cl)C(=O)[O-] ZINC000262957074 456071898 /nfs/dbraw/zinc/07/18/98/456071898.db2.gz RGQRUVGFVQWKPK-NRUUGDAUSA-N -1 0 325.767 3.118 20 30 EGEDRM C=CCC[C@@H](NC(=O)CSCc1cccc(Cl)c1)C(=O)[O-] ZINC000262992950 456076014 /nfs/dbraw/zinc/07/60/14/456076014.db2.gz VJVOQUIIZLRGIZ-CYBMUJFWSA-N -1 0 327.833 3.109 20 30 EGEDRM Cc1c(NC(=O)c2ccc(C#N)c([O-])c2)cnn1-c1ccccc1F ZINC000188701673 456116076 /nfs/dbraw/zinc/11/60/76/456116076.db2.gz KTFYBILPGXJNSX-UHFFFAOYSA-N -1 0 336.326 3.149 20 30 EGEDRM COCCn1ccc2ccc(NC(=O)c3ccc(C#N)c([O-])c3)cc21 ZINC000188754366 456128065 /nfs/dbraw/zinc/12/80/65/456128065.db2.gz RWBYMYNQEYVDRX-UHFFFAOYSA-N -1 0 335.363 3.117 20 30 EGEDRM C=C(C)[C@H](NC(=O)N1CC[C@@](C)(C(=O)[O-])C1)c1ccc(F)c(F)c1 ZINC000263401132 456142286 /nfs/dbraw/zinc/14/22/86/456142286.db2.gz SCACPLJUZTXLIZ-WMLDXEAASA-N -1 0 338.354 3.088 20 30 EGEDRM N#Cc1cncc(S(=O)(=O)[N-]c2ncc(C3CCCCC3)s2)c1 ZINC000290917367 456467028 /nfs/dbraw/zinc/46/70/28/456467028.db2.gz HSSHQMVDNZRJAW-UHFFFAOYSA-N -1 0 348.453 3.258 20 30 EGEDRM C=CCOc1ccc(C(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])cc1 ZINC000326776351 456699101 /nfs/dbraw/zinc/69/91/01/456699101.db2.gz MFSRRHAKSHSDJJ-SFHVURJKSA-N -1 0 337.375 3.076 20 30 EGEDRM C=CCCCS(=O)(=O)[N-]c1nnc([C@H](CC)c2ccccc2)o1 ZINC000291813213 456765698 /nfs/dbraw/zinc/76/56/98/456765698.db2.gz CYTVMFMEFAIILZ-CQSZACIVSA-N -1 0 335.429 3.319 20 30 EGEDRM CCOC(=O)c1cnc(/C=C/c2ccc(F)c(C#N)c2)c(C(=O)[O-])c1 ZINC000340962359 456785238 /nfs/dbraw/zinc/78/52/38/456785238.db2.gz TXYFBTXSDYTBOB-GQCTYLIASA-N -1 0 340.310 3.138 20 30 EGEDRM Cc1cc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)nn1CCC#N ZINC000348887614 456885662 /nfs/dbraw/zinc/88/56/62/456885662.db2.gz OLNJVHWTEUKQAP-UHFFFAOYSA-N -1 0 346.456 3.204 20 30 EGEDRM COCc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C#N)cc1 ZINC000353796585 456910742 /nfs/dbraw/zinc/91/07/42/456910742.db2.gz UGHYBKGEUQBBPK-UHFFFAOYSA-N -1 0 336.800 3.159 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2csc(C(C)=O)c2)n1 ZINC000345061185 456912900 /nfs/dbraw/zinc/91/29/00/456912900.db2.gz HWFDOEZFPADMAQ-SNVBAGLBSA-N -1 0 348.405 3.074 20 30 EGEDRM N#CCc1ccc(C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)cc1 ZINC000345842750 457000471 /nfs/dbraw/zinc/00/04/71/457000471.db2.gz FRHMUZJZFBFXCC-UHFFFAOYSA-N -1 0 338.363 3.249 20 30 EGEDRM CC(C)Cc1ccc(S(=O)(=O)[N-]c2n[nH]c(C3CC3)c2C#N)cc1 ZINC000362676558 457039278 /nfs/dbraw/zinc/03/92/78/457039278.db2.gz VDFIOEJZUYVNDX-UHFFFAOYSA-N -1 0 344.440 3.158 20 30 EGEDRM C=CCOc1cccc(NS(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)c1 ZINC000350014103 457143054 /nfs/dbraw/zinc/14/30/54/457143054.db2.gz HWWJHKOAXXTEKW-UHFFFAOYSA-N -1 0 347.392 3.059 20 30 EGEDRM N#Cc1cc([N-]S(=O)(=O)c2ccccc2-c2ccno2)ccc1F ZINC000354249404 457154780 /nfs/dbraw/zinc/15/47/80/457154780.db2.gz BRJBIGDUSKXYNQ-UHFFFAOYSA-N -1 0 343.339 3.153 20 30 EGEDRM O=C([N-]c1nnc(C(F)(F)F)s1)c1c(F)c(F)cc(F)c1F ZINC000360426987 457307522 /nfs/dbraw/zinc/30/75/22/457307522.db2.gz IFTXBPZLWGUEBB-UHFFFAOYSA-N -1 0 345.199 3.366 20 30 EGEDRM N#CC(=C([O-])c1cccc(-c2nc[nH]n2)c1)c1nc2ccccc2o1 ZINC000342459971 457315308 /nfs/dbraw/zinc/31/53/08/457315308.db2.gz CFRPHZZICSTBDD-CYBMUJFWSA-N -1 0 329.319 3.103 20 30 EGEDRM CC(C)(C)CN(CCC#N)C(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000339946385 457315588 /nfs/dbraw/zinc/31/55/88/457315588.db2.gz QSRLASHPRGFCTQ-UHFFFAOYSA-N -1 0 344.390 3.119 20 30 EGEDRM CCOc1ccccc1-c1cccc(C(=O)N=c2[nH][n-]c(C)c2C#N)c1 ZINC000357153166 457349048 /nfs/dbraw/zinc/34/90/48/457349048.db2.gz AGUOKAQXFRHPSA-UHFFFAOYSA-N -1 0 346.390 3.330 20 30 EGEDRM C=CCCCCCN(C)C(=O)c1ccccc1[N-]S(=O)(=O)CC ZINC000352274507 457353407 /nfs/dbraw/zinc/35/34/07/457353407.db2.gz GWBOCZCYXFLXRX-UHFFFAOYSA-N -1 0 338.473 3.267 20 30 EGEDRM COc1cccc(Nc2ccccc2C(=O)N=c2[nH][n-]c(C)c2C#N)c1 ZINC000357247467 457399055 /nfs/dbraw/zinc/39/90/55/457399055.db2.gz BDNOVCFNAYSOGS-UHFFFAOYSA-N -1 0 347.378 3.016 20 30 EGEDRM COc1c(Cl)cccc1[N-]S(=O)(=O)c1ccccc1CC#N ZINC000355861636 457424199 /nfs/dbraw/zinc/42/41/99/457424199.db2.gz CTGBPWHPSHBXRD-UHFFFAOYSA-N -1 0 336.800 3.215 20 30 EGEDRM N#Cc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)CCC3)cc1F ZINC000357489889 457560362 /nfs/dbraw/zinc/56/03/62/457560362.db2.gz VHUAPGHRMUGWGZ-UHFFFAOYSA-N -1 0 344.367 3.017 20 30 EGEDRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N[C@]3(C#N)CC3(C)C)n2)c1 ZINC000357726248 457670154 /nfs/dbraw/zinc/67/01/54/457670154.db2.gz ORJWMFSQAJMCLK-IBGZPJMESA-N -1 0 338.411 3.123 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2cn(CC(F)(F)F)nc2C)n1 ZINC000357796245 457693044 /nfs/dbraw/zinc/69/30/44/457693044.db2.gz JRMOTQPYWZUCCR-SECBINFHSA-N -1 0 328.319 3.009 20 30 EGEDRM Cc1nc(-c2ccccc2C)sc1C(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC000361387106 457714833 /nfs/dbraw/zinc/71/48/33/457714833.db2.gz SPIXYWWTBKFZME-UHFFFAOYSA-N -1 0 348.391 3.146 20 30 EGEDRM C=C(C)CS(=O)(=O)[N-][C@@H](c1c[nH]c2ccccc21)C(F)(F)F ZINC000443445552 457766626 /nfs/dbraw/zinc/76/66/26/457766626.db2.gz MZZVSOSKANCSFS-ZDUSSCGKSA-N -1 0 332.347 3.267 20 30 EGEDRM C=CCOc1ccccc1C=Cc1nc(C)c(CCC(=O)[O-])c(=O)[nH]1 ZINC000443445995 457767183 /nfs/dbraw/zinc/76/71/83/457767183.db2.gz SCVAWEXXDILHRH-CSKARUKUSA-N -1 0 340.379 3.243 20 30 EGEDRM N#Cc1cccc([C@@H]2CN(Cc3cccc(Cl)c3[O-])CCO2)c1 ZINC000371416695 457920124 /nfs/dbraw/zinc/92/01/24/457920124.db2.gz HSXNBGXVIXKWSI-KRWDZBQOSA-N -1 0 328.799 3.491 20 30 EGEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1noc2ccc(Cl)cc21 ZINC000427628458 458010722 /nfs/dbraw/zinc/01/07/22/458010722.db2.gz HSMOAGZLKKIMFC-UHFFFAOYSA-N -1 0 347.783 3.462 20 30 EGEDRM Cn1cc(C([O-])=C(C#N)c2cnc3ccccc3n2)c(-c2ccoc2)n1 ZINC000434648983 458029271 /nfs/dbraw/zinc/02/92/71/458029271.db2.gz ROGSLAQODPEKGV-ZDUSSCGKSA-N -1 0 343.346 3.113 20 30 EGEDRM C=CCNC(=O)Cc1noc(-c2cc(Cl)c3ccccc3c2[O-])n1 ZINC000445341281 458042107 /nfs/dbraw/zinc/04/21/07/458042107.db2.gz HZRXYKMKBZJGEV-UHFFFAOYSA-N -1 0 343.770 3.094 20 30 EGEDRM C=C[C@@H]1CCCCN1C(=O)c1nn(-c2ccc(F)cc2C)cc1[O-] ZINC000428042384 458071101 /nfs/dbraw/zinc/07/11/01/458071101.db2.gz CEZVKGGNMBSYLQ-CQSZACIVSA-N -1 0 329.375 3.206 20 30 EGEDRM COc1ccc2nc(/C=C/c3cc(C#N)n(C)c3)cc(C(=O)[O-])c2c1 ZINC000358660715 458135727 /nfs/dbraw/zinc/13/57/27/458135727.db2.gz LZHGVDRMQOLTQM-ONEGZZNKSA-N -1 0 333.347 3.322 20 30 EGEDRM CCCc1c([N-]S(=O)(=O)[C@@H](C#N)CC)cnn1-c1ccc(C)cc1 ZINC000416959253 458358245 /nfs/dbraw/zinc/35/82/45/458358245.db2.gz MYHJNMLYCPPBMB-OAHLLOKOSA-N -1 0 346.456 3.177 20 30 EGEDRM C=CCc1cc(CN=c2[n-]nc(SCC)s2)cc(OC)c1O ZINC000447962257 458371701 /nfs/dbraw/zinc/37/17/01/458371701.db2.gz KHEJWPBLWXUUMC-UHFFFAOYSA-N -1 0 337.470 3.127 20 30 EGEDRM O=C(NCC#Cc1ccccc1)c1cc(F)cc(Br)c1[O-] ZINC000436845028 458393201 /nfs/dbraw/zinc/39/32/01/458393201.db2.gz BLQUKDVZFNCMJW-UHFFFAOYSA-N -1 0 348.171 3.075 20 30 EGEDRM C[C@@](CC(=O)[O-])(C(=O)NCc1ccc(C#N)s1)C1CCCCC1 ZINC000421802741 458422400 /nfs/dbraw/zinc/42/24/00/458422400.db2.gz HEINKYPPKIRTHO-KRWDZBQOSA-N -1 0 334.441 3.297 20 30 EGEDRM N#CCc1ccc(S(=O)(=O)[N-]c2ccc3c(n2)CCC3)c(Cl)c1 ZINC000451095634 458465346 /nfs/dbraw/zinc/46/53/46/458465346.db2.gz LPUAQOJRQODKRG-UHFFFAOYSA-N -1 0 347.827 3.091 20 30 EGEDRM CN(C)c1cc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)ccn1 ZINC000430605906 458470469 /nfs/dbraw/zinc/47/04/69/458470469.db2.gz UVDWLHBNSGGRDM-GFCCVEGCSA-N -1 0 328.441 3.392 20 30 EGEDRM CC(C)(C)OC(=O)N[C@H]1CCCC1N=Nc1ccc(C(=O)[O-])cc1 ZINC000494400178 458670100 /nfs/dbraw/zinc/67/01/00/458670100.db2.gz RGVOVDDHWLBITA-ZDUSSCGKSA-N -1 0 333.388 3.230 20 30 EGEDRM COc1cc(CN=c2[n-]nc(-c3ccc(C)cc3C)o2)ccc1C#N ZINC000515011756 458804533 /nfs/dbraw/zinc/80/45/33/458804533.db2.gz ZPTUYYJNDXLTQL-UHFFFAOYSA-N -1 0 334.379 3.268 20 30 EGEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cnc3nccnc3c2)s1 ZINC000515582206 458810670 /nfs/dbraw/zinc/81/06/70/458810670.db2.gz FIGOUBKRBWUPTO-NSHDSACASA-N -1 0 337.408 3.269 20 30 EGEDRM C=CCCCCNC(=O)N=c1[n-]nc(Cc2cccc(F)c2)s1 ZINC000473685602 458839738 /nfs/dbraw/zinc/83/97/38/458839738.db2.gz IGKQWZIHEBXSAQ-UHFFFAOYSA-N -1 0 334.420 3.168 20 30 EGEDRM C=CCC[C@@H](NC(=O)NCc1cccc(COC(C)(C)C)c1)C(=O)[O-] ZINC000556710455 458993477 /nfs/dbraw/zinc/99/34/77/458993477.db2.gz MBFJOEZAXQTYQZ-MRXNPFEDSA-N -1 0 348.443 3.220 20 30 EGEDRM C=CCC[C@@H](NS(=O)(=O)c1cccc(-c2ccccc2)c1)C(=O)[O-] ZINC000556772947 459006097 /nfs/dbraw/zinc/00/60/97/459006097.db2.gz LRBAUSZMCZRYJN-QGZVFWFLSA-N -1 0 345.420 3.051 20 30 EGEDRM Cn1nc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)cc1C1CC1 ZINC000442618012 459016763 /nfs/dbraw/zinc/01/67/63/459016763.db2.gz FYTQXNWTKHGMOD-NSHDSACASA-N -1 0 334.301 3.201 20 30 EGEDRM COC(=O)c1cc2cc(NC(=O)c3ccc(C#N)c([O-])c3)ccc2o1 ZINC000442873386 459049053 /nfs/dbraw/zinc/04/90/53/459049053.db2.gz KXQLGTBEJYLUOP-UHFFFAOYSA-N -1 0 336.303 3.049 20 30 EGEDRM COC(=O)c1cc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)c[nH]1 ZINC000590321626 459114943 /nfs/dbraw/zinc/11/49/43/459114943.db2.gz ZKTUBLZZIAUNQO-SNVBAGLBSA-N -1 0 343.339 3.040 20 30 EGEDRM C[C@@H]1CCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)C[C@H]1C(=O)[O-] ZINC000577953280 459122473 /nfs/dbraw/zinc/12/24/73/459122473.db2.gz YSMWTJAZUYDQHT-IUODEOHRSA-N -1 0 329.400 3.062 20 30 EGEDRM C=CCCc1ccccc1NC(=O)N(CCC(=O)[O-])C1CCOCC1 ZINC000567877730 459183190 /nfs/dbraw/zinc/18/31/90/459183190.db2.gz SOQMPNDNFHUBKD-UHFFFAOYSA-N -1 0 346.427 3.293 20 30 EGEDRM C=CCCCS(=O)(=O)[N-]c1cc(-c2ccc(Cl)s2)[nH]n1 ZINC000578479479 459206350 /nfs/dbraw/zinc/20/63/50/459206350.db2.gz ZQNCLSFUWRMSBN-UHFFFAOYSA-N -1 0 331.850 3.500 20 30 EGEDRM C=CCC[C@H](NC(=O)Nc1ccc(Cl)c(OC(F)F)c1)C(=O)[O-] ZINC000579805121 459251538 /nfs/dbraw/zinc/25/15/38/459251538.db2.gz CVTCTUXMFZJFOZ-JTQLQIEISA-N -1 0 348.733 3.482 20 30 EGEDRM N#CCC[C@@H](NC(=O)N1CCC(CCC(=O)[O-])CC1)c1ccccc1 ZINC000595260945 459263877 /nfs/dbraw/zinc/26/38/77/459263877.db2.gz OROGCEDQYIXRPO-QGZVFWFLSA-N -1 0 343.427 3.318 20 30 EGEDRM C=CC[C@@H](Cc1ccccc1)NC(=O)N=c1[n-]nc(C2CC2)s1 ZINC000581772836 459277273 /nfs/dbraw/zinc/27/72/73/459277273.db2.gz GWIQTMWSRGZWPQ-AWEZNQCLSA-N -1 0 328.441 3.146 20 30 EGEDRM CC(C)(C)OC(=O)Nc1ccccc1C([O-])=C(C#N)c1ccncn1 ZINC000496762591 459314735 /nfs/dbraw/zinc/31/47/35/459314735.db2.gz FMZZLYQKYBPWEK-ZDUSSCGKSA-N -1 0 338.367 3.314 20 30 EGEDRM CC(C)(C)Oc1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cc1C#N ZINC000591240004 459338856 /nfs/dbraw/zinc/33/88/56/459338856.db2.gz VRKBAOUILTUJPH-CABCVRRESA-N -1 0 342.395 3.341 20 30 EGEDRM C=CCOc1ccc(C(=O)N[C@@](CC)(C(=O)[O-])c2ccccc2)cc1 ZINC000485364901 459449828 /nfs/dbraw/zinc/44/98/28/459449828.db2.gz AHANODAWGMSJPM-HXUWFJFHSA-N -1 0 339.391 3.371 20 30 EGEDRM C[C@@H]1CN(c2c(C#N)cnc3c(F)ccc(Cl)c32)C[C@H]1C(=O)[O-] ZINC000595973936 459491895 /nfs/dbraw/zinc/49/18/95/459491895.db2.gz RVRGECZYWYNXDJ-PSASIEDQSA-N -1 0 333.750 3.056 20 30 EGEDRM N#CCC[C@H](N=c1nc(C2CCOCC2)[n-]s1)c1ccccc1 ZINC000596171335 459547001 /nfs/dbraw/zinc/54/70/01/459547001.db2.gz KBRIEFNRQYNORY-HNNXBMFYSA-N -1 0 328.441 3.311 20 30 EGEDRM N#CCCC1CCN(C(=O)N=c2[n-]nc(-c3ccsc3)s2)CC1 ZINC000570959698 459562854 /nfs/dbraw/zinc/56/28/54/459562854.db2.gz DEOHHKNNZVTBSC-UHFFFAOYSA-N -1 0 347.469 3.236 20 30 EGEDRM COC(=O)Nc1ccc(CCN=Cc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000491568102 459637832 /nfs/dbraw/zinc/63/78/32/459637832.db2.gz LBJJHUXKIBGIAN-WQRHYEAKSA-N -1 0 343.339 3.140 20 30 EGEDRM COC(=O)Nc1ccc(CCN=Cc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000491568101 459638026 /nfs/dbraw/zinc/63/80/26/459638026.db2.gz LBJJHUXKIBGIAN-WOJGMQOQSA-N -1 0 343.339 3.140 20 30 EGEDRM CC(C)(C)c1[n-]n(Cc2nnc(C3CC3)s2)c(=O)c1CCC#N ZINC000573226268 459646284 /nfs/dbraw/zinc/64/62/84/459646284.db2.gz OFRCIWBUEURVKD-UHFFFAOYSA-N -1 0 331.445 3.120 20 30 EGEDRM COc1ccc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)cn1 ZINC000592974103 459726585 /nfs/dbraw/zinc/72/65/85/459726585.db2.gz NTZMXZDQILSVQS-NSHDSACASA-N -1 0 327.340 3.329 20 30 EGEDRM Cn1cc([N+](=O)[O-])cc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1 ZINC000564150618 459771363 /nfs/dbraw/zinc/77/13/63/459771363.db2.gz LWWMTKYWLWJCMC-SNVBAGLBSA-N -1 0 332.385 3.177 20 30 EGEDRM CC(C)c1c(C([O-])=C(C#N)c2ccncn2)cnn1-c1ccccc1 ZINC000545447007 459833093 /nfs/dbraw/zinc/83/30/93/459833093.db2.gz HRDALXWOCOXOOM-OAHLLOKOSA-N -1 0 331.379 3.276 20 30 EGEDRM CC(C)(CCC#N)CNC(=O)N=c1[n-]nc(Cc2ccccc2)s1 ZINC000588228703 459934940 /nfs/dbraw/zinc/93/49/40/459934940.db2.gz LCQSFMUPQBSKJO-UHFFFAOYSA-N -1 0 343.456 3.002 20 30 EGEDRM C=C[C@H](CC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)c1ccccc1 ZINC000621616374 459984430 /nfs/dbraw/zinc/98/44/30/459984430.db2.gz PBOSOXNCHPFBBW-WRWLIDTKSA-N -1 0 327.424 3.450 20 30 EGEDRM CC(C)(C#N)C[C@@H](O)CSc1n[n-]c(=Nc2ccccc2)s1 ZINC000598703945 459999567 /nfs/dbraw/zinc/99/95/67/459999567.db2.gz LFGADXHDWLFPSI-GFCCVEGCSA-N -1 0 334.470 3.096 20 30 EGEDRM Cc1cc(C)c([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)cc1O ZINC000614095439 460012533 /nfs/dbraw/zinc/01/25/33/460012533.db2.gz GZPPVUOGJLJGJK-UHFFFAOYSA-N -1 0 336.800 3.335 20 30 EGEDRM C=C[C@@H]1CCCCN1C(=O)c1nn(-c2ccc(F)cc2F)cc1[O-] ZINC000614132573 460022836 /nfs/dbraw/zinc/02/28/36/460022836.db2.gz JAKVJCZNGUBDHC-GFCCVEGCSA-N -1 0 333.338 3.037 20 30 EGEDRM C[C@H](NC(=O)Nc1cccc(CC#N)c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000593958360 460027460 /nfs/dbraw/zinc/02/74/60/460027460.db2.gz TZETXWVYMNXJJE-TUKIKUTGSA-N -1 0 329.400 3.010 20 30 EGEDRM C=CCn1c(Cc2ccccc2Cl)n[n-]c1=Nc1c(C)n[nH]c1C ZINC000576624314 460179855 /nfs/dbraw/zinc/17/98/55/460179855.db2.gz MEFJEMMPRPGCPD-UHFFFAOYSA-N -1 0 342.834 3.214 20 30 EGEDRM C[C@@H](c1ccccc1Cl)N(C(=O)N=c1[n-]n(C)cc1C#N)C1CC1 ZINC000610561399 460184546 /nfs/dbraw/zinc/18/45/46/460184546.db2.gz UYGANBBBDCBIIG-NSHDSACASA-N -1 0 343.818 3.125 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)N(Cc2ccc(C)o2)C2CC2)cc1C#N ZINC000603921810 460359198 /nfs/dbraw/zinc/35/91/98/460359198.db2.gz PMGJUMHKZQTDMB-UHFFFAOYSA-N -1 0 343.408 3.087 20 30 EGEDRM CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000619462065 460362873 /nfs/dbraw/zinc/36/28/73/460362873.db2.gz XGSIPJXXUYTQPZ-UHFFFAOYSA-N -1 0 334.372 3.091 20 30 EGEDRM N#Cc1ccc(CN=c2[n-]nc(-c3ccccn3)s2)cc1Cl ZINC000619747245 460429223 /nfs/dbraw/zinc/42/92/23/460429223.db2.gz OMDJGOYQIGVVMP-UHFFFAOYSA-N -1 0 327.800 3.159 20 30 EGEDRM Cc1[n-][nH]c(=NC(=O)C2(c3ccc(C(F)(F)F)cc3)CCC2)c1C#N ZINC000601680641 460867177 /nfs/dbraw/zinc/86/71/77/460867177.db2.gz UZPQAOQGFGSLKU-UHFFFAOYSA-N -1 0 348.328 3.091 20 30 EGEDRM Cc1[n-]n(-c2ccc(OCC(F)(F)F)cc2)c(=O)c1CCC#N ZINC000601940821 460953951 /nfs/dbraw/zinc/95/39/51/460953951.db2.gz SWUZYLVUXDWALS-ZDUSSCGKSA-N -1 0 325.290 3.270 20 30 EGEDRM CC(C)(C)Oc1ccc(NC(=O)[C@@H]2CCC[C@@H]2C(=O)[O-])cc1C#N ZINC000601992370 460976399 /nfs/dbraw/zinc/97/63/99/460976399.db2.gz JSMUQXHHGWKLER-KGLIPLIRSA-N -1 0 330.384 3.175 20 30 EGEDRM C=CCC(CC=C)C(=O)N1CCC(c2ncc(C(=O)[O-])s2)CC1 ZINC000630244705 461072153 /nfs/dbraw/zinc/07/21/53/461072153.db2.gz BPUPOCDEEWASBB-UHFFFAOYSA-N -1 0 334.441 3.316 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)[C@H](CC)Oc1ccccc1Cl)C(=O)[O-] ZINC000630319701 461094120 /nfs/dbraw/zinc/09/41/20/461094120.db2.gz GCZUNFYOSASRHM-OLZOCXBDSA-N -1 0 325.792 3.033 20 30 EGEDRM C=C(C)COc1cccc(NC(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c1 ZINC000630561448 461189262 /nfs/dbraw/zinc/18/92/62/461189262.db2.gz PPVKOVCMHLGRAA-XJKSGUPXSA-N -1 0 332.400 3.216 20 30 EGEDRM N#CC(=C([O-])c1cnn(CC2CC2)c1)c1nc(-c2ccncc2)cs1 ZINC000633899273 461319973 /nfs/dbraw/zinc/31/99/73/461319973.db2.gz FZUQUHJEBZFJJJ-HNNXBMFYSA-N -1 0 349.419 3.302 20 30 EGEDRM C=CCN(CCc1ccco1)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655903236 461528334 /nfs/dbraw/zinc/52/83/34/461528334.db2.gz ZEODDTLPAZDZHN-CWRNSKLLSA-N -1 0 348.443 3.155 20 30 EGEDRM C=CCCC[C@@H](C)NC(=O)c1ccc(-n2ncc(C(=O)[O-])c2C)cc1 ZINC000649368755 462489072 /nfs/dbraw/zinc/48/90/72/462489072.db2.gz UPCFRBWMNJHVMS-CYBMUJFWSA-N -1 0 341.411 3.354 20 30 EGEDRM Cc1ncc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)s1 ZINC000172087347 546997137 /nfs/dbraw/zinc/99/71/37/546997137.db2.gz IURUMAMWAROBSY-NSHDSACASA-N -1 0 326.406 3.460 20 30 EGEDRM N#CC(=C([O-])c1ccn(C(F)F)n1)c1nc(-c2ccncc2)cs1 ZINC000678923033 549595267 /nfs/dbraw/zinc/59/52/67/549595267.db2.gz ZMJANMCLYJOBMK-SNVBAGLBSA-N -1 0 345.334 3.287 20 30 EGEDRM N#CC(=C([O-])c1cnn(CCF)c1)c1nc2cc(F)ccc2s1 ZINC000685148186 550400615 /nfs/dbraw/zinc/40/06/15/550400615.db2.gz PUSFHRBAUFMZKU-NSHDSACASA-N -1 0 332.335 3.091 20 30 EGEDRM C#Cc1cccc(NC(=S)[N-]c2ccccc2SCC(N)=O)c1 ZINC000726447890 574554186 /nfs/dbraw/zinc/55/41/86/574554186.db2.gz JDXFHDZAZDVFMW-UHFFFAOYSA-N -1 0 341.461 3.054 20 30 EGEDRM O=C([O-])COc1ccccc1C=NNc1ccc(OC(F)F)cc1 ZINC000726426845 574553729 /nfs/dbraw/zinc/55/37/29/574553729.db2.gz JPWHFXSIKNMMOY-UHFFFAOYSA-N -1 0 336.294 3.197 20 30 EGEDRM C[C@@H]1C[C@H](CC(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)CC(C)(C)C1 ZINC000727626089 574678073 /nfs/dbraw/zinc/67/80/73/574678073.db2.gz SNQDUBPEQZVEAP-UKRRQHHQSA-N -1 0 348.468 3.216 20 30 EGEDRM Cc1ccc(C(=O)[O-])cc1NC(=O)CSc1ccccc1C#N ZINC000738527785 574776069 /nfs/dbraw/zinc/77/60/69/574776069.db2.gz CLWVFNCSDNDQNG-UHFFFAOYSA-N -1 0 326.377 3.296 20 30 EGEDRM CC(=NNc1nnc(C)c(=O)[n-]1)c1csc(-c2csc(C)n2)c1 ZINC000729140269 574818406 /nfs/dbraw/zinc/81/84/06/574818406.db2.gz CYYBUVDSUUPLPV-UHFFFAOYSA-N -1 0 346.441 3.215 20 30 EGEDRM COCCOc1ccc(/C=C\C(=O)c2ccc(CC(=O)[O-])cc2)cc1 ZINC000730464554 574990104 /nfs/dbraw/zinc/99/01/04/574990104.db2.gz SYQHLTKJZBFJDB-WDZFZDKYSA-N -1 0 340.375 3.235 20 30 EGEDRM Cc1cccc2[nH]c([C@H](C#N)C(=O)c3ccc(C(=O)[O-])s3)nc21 ZINC000738746916 575280133 /nfs/dbraw/zinc/28/01/33/575280133.db2.gz NPTYXYKQHGAAFQ-SECBINFHSA-N -1 0 325.349 3.121 20 30 EGEDRM C#CCCOC(=O)c1ccccc1SCc1occc1C(=O)[O-] ZINC000736077363 575896130 /nfs/dbraw/zinc/89/61/30/575896130.db2.gz RZNKCDWLSKRPCD-UHFFFAOYSA-N -1 0 330.361 3.450 20 30 EGEDRM C#CCOc1cc(F)ccc1NC(=O)c1ccc(NC(=O)[O-])cc1 ZINC000736077052 575896153 /nfs/dbraw/zinc/89/61/53/575896153.db2.gz XITVSWAMWYGKEP-UHFFFAOYSA-N -1 0 328.299 3.180 20 30 EGEDRM C#CCOc1cccc(COC(=O)c2ccc(NC(=O)[O-])cc2)c1 ZINC000736090215 575898000 /nfs/dbraw/zinc/89/80/00/575898000.db2.gz XNNGLRNXFVRYPT-UHFFFAOYSA-N -1 0 325.320 3.146 20 30 EGEDRM C#CCOc1cccc(NC(=O)N[C@@H](CC(=O)[O-])c2ccccc2)c1 ZINC000736090263 575898133 /nfs/dbraw/zinc/89/81/33/575898133.db2.gz XZCWIUSGMKLVHE-KRWDZBQOSA-N -1 0 338.363 3.036 20 30 EGEDRM C#Cc1cccc(N(Cc2ccco2)C(=O)CCCN(C)C(=O)[O-])c1 ZINC000736090699 575898437 /nfs/dbraw/zinc/89/84/37/575898437.db2.gz HIFOBWGFQAKMHG-UHFFFAOYSA-N -1 0 340.379 3.184 20 30 EGEDRM C=CCOc1ccc(C(=O)O[C@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000736113739 575900239 /nfs/dbraw/zinc/90/02/39/575900239.db2.gz CIFRCLZYBQHEKH-INIZCTEOSA-N -1 0 330.311 3.373 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1cccnc1C ZINC000736115210 575900774 /nfs/dbraw/zinc/90/07/74/575900774.db2.gz YNKXMPSXNJWTFR-UHFFFAOYSA-N -1 0 327.336 3.045 20 30 EGEDRM C=CCn1c(S[C@@H](CCCC)C(=O)[O-])nnc1-c1cccnc1 ZINC000736117426 575901359 /nfs/dbraw/zinc/90/13/59/575901359.db2.gz JHUJQRNNOULAFR-ZDUSSCGKSA-N -1 0 332.429 3.262 20 30 EGEDRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)C=Cc1ccccc1C#N ZINC000736186911 575909302 /nfs/dbraw/zinc/90/93/02/575909302.db2.gz OMTJMGOMIHKULB-VQHVLOKHSA-N -1 0 335.315 3.078 20 30 EGEDRM CC(C)=C[C@@H]1[C@@H](C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)C1(C)C ZINC000736343385 575940800 /nfs/dbraw/zinc/94/08/00/575940800.db2.gz BNZMTFSCWLVDAR-OWCLPIDISA-N -1 0 327.380 3.466 20 30 EGEDRM CC(C)[C@H](NC(=O)[O-])C(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1 ZINC000736386519 575948255 /nfs/dbraw/zinc/94/82/55/575948255.db2.gz XLWZIRZWYQXEEH-KRWDZBQOSA-N -1 0 338.363 3.423 20 30 EGEDRM C[C@H](Cc1ccc(F)cc1)C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736621574 575994578 /nfs/dbraw/zinc/99/45/78/575994578.db2.gz CTZXZNHGZFACFX-SJKOYZFVSA-N -1 0 341.338 3.245 20 30 EGEDRM CC[C@@H](C(=O)[O-])N(C(=O)/C=C/c1ccccc1C#N)c1ccccc1 ZINC000736848640 576047380 /nfs/dbraw/zinc/04/73/80/576047380.db2.gz NYGKBUPSIXMPPU-HHNLSAEISA-N -1 0 334.375 3.468 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2cc3occc3s2)n1 ZINC000736893511 576056060 /nfs/dbraw/zinc/05/60/60/576056060.db2.gz UNCBUMQECHHRDW-VIFPVBQESA-N -1 0 346.389 3.293 20 30 EGEDRM CC[C@](NC(=O)/C=C/c1ccccc1C#N)(C(=O)[O-])c1ccccc1 ZINC000736908342 576057150 /nfs/dbraw/zinc/05/71/50/576057150.db2.gz WPGZYZJGXIYRBM-DRUFCSCSSA-N -1 0 334.375 3.078 20 30 EGEDRM CC[C@H](Nc1ccccc1)C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736924681 576061599 /nfs/dbraw/zinc/06/15/99/576061599.db2.gz NZLLRPOHMIJBBB-DLBZAZTESA-N -1 0 338.363 3.118 20 30 EGEDRM CCc1nnc(CNc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)o1 ZINC000737288917 576199445 /nfs/dbraw/zinc/19/94/45/576199445.db2.gz ZWOBKDUTFRWEBA-UHFFFAOYSA-N -1 0 347.374 3.342 20 30 EGEDRM CN(Cc1nc2ccccc2s1)[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737496914 576238289 /nfs/dbraw/zinc/23/82/89/576238289.db2.gz RFVFSNDMGDXDQH-QGZVFWFLSA-N -1 0 337.404 3.426 20 30 EGEDRM COc1cc(C#N)ccc1OCCSCc1cc(C(=O)[O-])c(C)o1 ZINC000737845094 576267151 /nfs/dbraw/zinc/26/71/51/576267151.db2.gz YQAYTLNBMFFHBQ-UHFFFAOYSA-N -1 0 347.392 3.479 20 30 EGEDRM COc1cc(/C=C/C(=O)[O-])ccc1OCc1ccc(F)cc1C#N ZINC000737879302 576269163 /nfs/dbraw/zinc/26/91/63/576269163.db2.gz PYZQUJXHMNRFGR-XVNBXDOJSA-N -1 0 327.311 3.383 20 30 EGEDRM N#Cc1ccc(CNC(=O)Nc2ccc(NC(=O)[O-])cc2)c(F)c1 ZINC000738431918 576325120 /nfs/dbraw/zinc/32/51/20/576325120.db2.gz BSLIGHCMMDUENC-UHFFFAOYSA-N -1 0 328.303 3.109 20 30 EGEDRM Cc1ccc(C#N)cc1NC(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000738501350 576332289 /nfs/dbraw/zinc/33/22/89/576332289.db2.gz MMUASYDJYBCFGX-UHFFFAOYSA-N -1 0 338.367 3.321 20 30 EGEDRM Cc1ccc([C@@H](CNC(=O)Nc2ccc(CC#N)cc2)C(=O)[O-])cc1 ZINC000738561777 576337106 /nfs/dbraw/zinc/33/71/06/576337106.db2.gz REVYVJDBBWOGAQ-QGZVFWFLSA-N -1 0 337.379 3.051 20 30 EGEDRM N#C[C@H](NC(=O)c1ccc(C(=O)[O-])cc1)c1cccc(C(F)(F)F)c1 ZINC000739074484 576376905 /nfs/dbraw/zinc/37/69/05/576376905.db2.gz KGCGIPIPDCXYKE-AWEZNQCLSA-N -1 0 348.280 3.398 20 30 EGEDRM N#CC(C(=O)[C@H]1C[C@H]1C(=O)[O-])c1nc(-c2ccc(Cl)cc2)cs1 ZINC000739076066 576377024 /nfs/dbraw/zinc/37/70/24/576377024.db2.gz YFJQTGSABMBKGN-QJPTWQEYSA-N -1 0 346.795 3.360 20 30 EGEDRM N#CCOc1ccc(CC(=O)Nc2ccc(Cl)cc2C(=O)[O-])cc1 ZINC000739087588 576377403 /nfs/dbraw/zinc/37/74/03/576377403.db2.gz KRTSFHYTDBVEHE-UHFFFAOYSA-N -1 0 344.754 3.122 20 30 EGEDRM N#CCn1c(C(=O)O[C@@H](C(=O)[O-])c2ccccc2)cc2ccccc21 ZINC000739091803 576377476 /nfs/dbraw/zinc/37/74/76/576377476.db2.gz BQJZMCNPXXIWQE-QGZVFWFLSA-N -1 0 334.331 3.148 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)C(=O)[O-])cc1 ZINC000739109390 576378474 /nfs/dbraw/zinc/37/84/74/576378474.db2.gz KWOVNYITYKRKSA-IKGGRYGDSA-N -1 0 339.322 3.170 20 30 EGEDRM N#Cc1ccc([C@@H](OC(=O)c2cc(-c3ccccc3)no2)C(=O)[O-])cc1 ZINC000739115400 576378642 /nfs/dbraw/zinc/37/86/42/576378642.db2.gz QCGRIZFZQSGXAP-QGZVFWFLSA-N -1 0 348.314 3.196 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)c2ccc3c(c2)CCCC3)C(=O)[O-])cc1 ZINC000739115212 576378682 /nfs/dbraw/zinc/37/86/82/576378682.db2.gz OKUDFENIHLDIAL-SFHVURJKSA-N -1 0 335.359 3.420 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)Cc2cc3ccccc3o2)C(=O)[O-])cc1 ZINC000739115920 576378813 /nfs/dbraw/zinc/37/88/13/576378813.db2.gz WFQWIONGUKQKPA-SFHVURJKSA-N -1 0 335.315 3.216 20 30 EGEDRM N#Cc1ccc(NC[C@H](Cc2ccc3ccccc3c2)C(=O)[O-])nc1 ZINC000739121531 576379116 /nfs/dbraw/zinc/37/91/16/576379116.db2.gz SVELUXHWIQAVOP-SFHVURJKSA-N -1 0 331.375 3.462 20 30 EGEDRM N#Cc1ccccc1-c1ccccc1C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000739139832 576379538 /nfs/dbraw/zinc/37/95/38/576379538.db2.gz KQADKMOWOKOWCW-OAHLLOKOSA-N -1 0 334.375 3.162 20 30 EGEDRM N#Cc1ccccc1NC(=S)NCCc1ccc(NC(=O)[O-])cc1 ZINC000739147351 576379742 /nfs/dbraw/zinc/37/97/42/576379742.db2.gz SBXAHOZADXZDOD-UHFFFAOYSA-N -1 0 340.408 3.177 20 30 EGEDRM O=C([O-])CN1C/C(=C\c2ccccc2)C(=O)/C(=C/c2ccccc2)C1 ZINC000739799570 576506554 /nfs/dbraw/zinc/50/65/54/576506554.db2.gz VWVLUYUZWDBARY-GDAWTGGTSA-N -1 0 333.387 3.123 20 30 EGEDRM O=c1c2ccccc2[n-]c(=S)n1N=Cc1cc2cc(F)ccc2o1 ZINC000741759766 576717830 /nfs/dbraw/zinc/71/78/30/576717830.db2.gz OYQLMYYCZLZIOV-UHFFFAOYSA-N -1 0 339.351 3.453 20 30 EGEDRM O=C([O-])CCOc1cccc(/C=C2\CCc3c(O)cccc3C2=O)c1 ZINC000742435624 576784052 /nfs/dbraw/zinc/78/40/52/576784052.db2.gz WINSEPNMTJBFAO-SDNWHVSQSA-N -1 0 338.359 3.458 20 30 EGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)c1cc(C2CC2)n(C)n1 ZINC000744016518 576818915 /nfs/dbraw/zinc/81/89/15/576818915.db2.gz NVPBWVGCGSWXFM-AWEZNQCLSA-N -1 0 346.390 3.293 20 30 EGEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1ccc(OC2CCC2)cc1 ZINC000744027131 576819077 /nfs/dbraw/zinc/81/90/77/576819077.db2.gz JLJUEPDQLQWKRA-GOSISDBHSA-N -1 0 340.423 3.389 20 30 EGEDRM C[C@@H](C(=O)[O-])N(C)C(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000817762702 597484748 /nfs/dbraw/zinc/48/47/48/597484748.db2.gz OKQOBCJSGHTSCW-LBPRGKRZSA-N -1 0 340.404 3.255 20 30 EGEDRM Cc1ccc(Cl)c2ccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])nc12 ZINC000821083388 597610211 /nfs/dbraw/zinc/61/02/11/597610211.db2.gz DNWDSXFNFLVPJT-MRXNPFEDSA-N -1 0 331.759 3.140 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1nc(-c2cccc(Cl)c2)cs1 ZINC000819865514 598223874 /nfs/dbraw/zinc/22/38/74/598223874.db2.gz MICUQUNYAIGOJB-HNNXBMFYSA-N -1 0 349.799 3.407 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(Cl)cc1Br ZINC000819848439 598230427 /nfs/dbraw/zinc/23/04/27/598230427.db2.gz SKYZLLWHCFOVQX-LBPRGKRZSA-N -1 0 345.580 3.046 20 30 EGEDRM Cc1cc(C=NNc2ccc(Cl)nc2)cc(C)c1OCC(=O)[O-] ZINC000832881280 600724216 /nfs/dbraw/zinc/72/42/16/600724216.db2.gz NZXRNPOWGFXYTR-UHFFFAOYSA-N -1 0 333.775 3.261 20 30 EGEDRM Cc1ccc(OCc2nnc(-c3ccc(C#N)cc3)o2)c(C(=O)[O-])c1 ZINC000832951707 600804270 /nfs/dbraw/zinc/80/42/70/600804270.db2.gz MINJWVLOLWYGCX-UHFFFAOYSA-N -1 0 335.319 3.194 20 30 EGEDRM Cc1nc2sccn2c1C=NOCc1ccc(F)cc1C(=O)[O-] ZINC000833006381 600804493 /nfs/dbraw/zinc/80/44/93/600804493.db2.gz BTAYUZOMYIFKJG-UHFFFAOYSA-N -1 0 333.344 3.092 20 30 EGEDRM CCOc1ccc(N(CCC#N)C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000830080029 600838356 /nfs/dbraw/zinc/83/83/56/600838356.db2.gz DMBTWOAHKKIDDN-LSDHHAIUSA-N -1 0 344.411 3.223 20 30 EGEDRM CC(C)c1ccc(-c2nc(CN(CC#N)CC(=O)[O-])cs2)cc1 ZINC000827112773 601003730 /nfs/dbraw/zinc/00/37/30/601003730.db2.gz QAKGIHLOGQADGO-UHFFFAOYSA-N -1 0 329.425 3.344 20 30 EGEDRM N#Cc1c(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)sc2c1CCCC2 ZINC000833067909 601146702 /nfs/dbraw/zinc/14/67/02/601146702.db2.gz IVIOEXAMPVIHMA-MNOVXSKESA-N -1 0 332.425 3.328 20 30 EGEDRM CCCNc1ccc(C#N)cc1NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000829519554 601211300 /nfs/dbraw/zinc/21/13/00/601211300.db2.gz MUPCCUAZKPNTMY-KGLIPLIRSA-N -1 0 329.400 3.210 20 30 EGEDRM Cc1cccc(C)c1NC(=O)[C@@H](C)ON=Cc1ccc(C(=O)[O-])cc1 ZINC000832964587 601221061 /nfs/dbraw/zinc/22/10/61/601221061.db2.gz GLHMNGBRNBQBKF-CQSZACIVSA-N -1 0 340.379 3.379 20 30 EGEDRM CCOc1ccc(N[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1OC ZINC000830085140 601298100 /nfs/dbraw/zinc/29/81/00/601298100.db2.gz POPRTLHNTWCKQT-QGZVFWFLSA-N -1 0 326.352 3.203 20 30 EGEDRM C#Cc1cccc(NC(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)c1 ZINC000825636339 601308949 /nfs/dbraw/zinc/30/89/49/601308949.db2.gz HWKDJGCXIKBALK-MRXNPFEDSA-N -1 0 326.327 3.145 20 30 EGEDRM O=C([O-])c1ccc(CN=Nc2c(F)cc(F)cc2Br)[nH]1 ZINC000749815210 601336935 /nfs/dbraw/zinc/33/69/35/601336935.db2.gz WEKOITITHWDPLG-UHFFFAOYSA-N -1 0 344.115 3.200 20 30 EGEDRM N#Cc1cccc([C@H](OC(=O)c2cccc(OC(F)F)c2)C(=O)[O-])c1 ZINC000833075322 601344398 /nfs/dbraw/zinc/34/43/98/601344398.db2.gz AATALOGQVLOQRV-AWEZNQCLSA-N -1 0 347.273 3.142 20 30 EGEDRM N#Cc1cccc([C@H](OC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)C(=O)[O-])c1 ZINC000833076616 601346290 /nfs/dbraw/zinc/34/62/90/601346290.db2.gz XICIKTIPBBWSKK-BBWFWOEESA-N -1 0 339.322 3.170 20 30 EGEDRM C[C@@H](Cc1ccc(F)cc1)C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000827586332 601351013 /nfs/dbraw/zinc/35/10/13/601351013.db2.gz KRIBECKZWOOOIA-SJCJKPOMSA-N -1 0 341.338 3.245 20 30 EGEDRM C/C(=C\c1ccc(F)cc1)C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000825798714 601471782 /nfs/dbraw/zinc/47/17/82/601471782.db2.gz UUTXOBMEUAXQSH-DPCFLFMUSA-N -1 0 339.322 3.470 20 30 EGEDRM N#Cc1ccccc1/C=C\C(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000833075165 601586796 /nfs/dbraw/zinc/58/67/96/601586796.db2.gz NAELLOYFPPHRJT-CGQZWFTASA-N -1 0 340.766 3.167 20 30 EGEDRM Cc1ccc(C#N)cc1NC(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000832910632 601622761 /nfs/dbraw/zinc/62/27/61/601622761.db2.gz WZNPAKJQXSATBI-GUYCJALGSA-N -1 0 337.379 3.450 20 30 EGEDRM C[C@H](C(=O)[O-])[C@H](NC(=O)Nc1ccc(F)c(C#N)c1)c1ccccc1 ZINC000826039748 601623592 /nfs/dbraw/zinc/62/35/92/601623592.db2.gz YLKGPIRAHPZWPJ-ZBEGNZNMSA-N -1 0 341.342 3.281 20 30 EGEDRM N#Cc1cc(F)c(C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)c(F)c1 ZINC000833068861 601675714 /nfs/dbraw/zinc/67/57/14/601675714.db2.gz OHVMKBPQVDASRR-OAHLLOKOSA-N -1 0 344.317 3.172 20 30 EGEDRM N#CCSc1ccccc1C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000321089639 601818016 /nfs/dbraw/zinc/81/80/16/601818016.db2.gz DDMHVAZZGILVGH-UHFFFAOYSA-N -1 0 332.425 3.019 20 30 EGEDRM N#Cc1ccccc1/C=C/C(=O)N[C@@H]1CCCCCC[C@@H]1C(=O)[O-] ZINC000833075774 601912755 /nfs/dbraw/zinc/91/27/55/601912755.db2.gz WNHKXVXVZYKLLH-PUENXVRKSA-N -1 0 326.396 3.111 20 30 EGEDRM N#Cc1cc(F)ccc1NC(=O)N[C@@H]1CCCCCC[C@@H]1C(=O)[O-] ZINC000833069479 602047374 /nfs/dbraw/zinc/04/73/74/602047374.db2.gz ACXORVBVPZSHLK-DZGCQCFKSA-N -1 0 333.363 3.242 20 30 EGEDRM C[C@H](Oc1ccc(/C=C/C(=O)c2ccc3c(c2)COC3)cc1)C(=O)[O-] ZINC000794698775 602111743 /nfs/dbraw/zinc/11/17/43/602111743.db2.gz BUICLWDQJFCTHX-FAFAAHBOSA-N -1 0 338.359 3.465 20 30 EGEDRM N#CCCCCNC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000833062344 602228187 /nfs/dbraw/zinc/22/81/87/602228187.db2.gz LPFYLJILYMVBSC-UHFFFAOYSA-N -1 0 341.367 3.119 20 30 EGEDRM CC(C)(C)n1cc(C#N)cc1NC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000826528170 604388894 /nfs/dbraw/zinc/38/88/94/604388894.db2.gz NESAIOILEOYOJB-UHFFFAOYSA-N -1 0 329.331 3.204 20 30 EGEDRM CC(C)NC(=O)c1ccc(NCc2cccc(C(=O)[O-])c2C#N)cc1 ZINC000833501627 604538034 /nfs/dbraw/zinc/53/80/34/604538034.db2.gz FHKOEXAGXKXLPI-UHFFFAOYSA-N -1 0 337.379 3.007 20 30 EGEDRM C[C@H](COc1ccccc1)C(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC000833520085 604584435 /nfs/dbraw/zinc/58/44/35/604584435.db2.gz ROXGUAYNYJUDQD-CYBMUJFWSA-N -1 0 339.347 3.015 20 30 EGEDRM C[C@@H]1CN(Cc2cccc(C(=O)[O-])c2C#N)C[C@@H](c2ccccc2)O1 ZINC000833631059 604604698 /nfs/dbraw/zinc/60/46/98/604604698.db2.gz ZOJMEKQINKLINO-KUHUBIRLSA-N -1 0 336.391 3.218 20 30 EGEDRM CC(=NNc1nc(=O)c2ccccc2[nH]1)[C@H](C)CCCCC(=O)[O-] ZINC000814869335 604640911 /nfs/dbraw/zinc/64/09/11/604640911.db2.gz XEEJFURRMNRODZ-LLVKDONJSA-N -1 0 330.388 3.404 20 30 EGEDRM CCOc1ccc(C=NOCc2ccc(C(=O)[O-])cc2F)cc1OC ZINC000833664115 604697201 /nfs/dbraw/zinc/69/72/01/604697201.db2.gz OQISHNISOJSJQM-UHFFFAOYSA-N -1 0 347.342 3.482 20 30 EGEDRM C=C[C@H](CC(=O)OCC(=O)c1cc(C(=O)[O-])co1)c1ccccc1 ZINC000833370732 604730017 /nfs/dbraw/zinc/73/00/17/604730017.db2.gz HIYMZRJLMNOFNZ-GFCCVEGCSA-N -1 0 328.320 3.064 20 30 EGEDRM C=C[C@@H](CC(=O)Nc1nnc(CCCC(=O)[O-])s1)c1ccccc1 ZINC000833371976 604756215 /nfs/dbraw/zinc/75/62/15/604756215.db2.gz YIURCJVTYYQANI-LBPRGKRZSA-N -1 0 345.424 3.244 20 30 EGEDRM C#CCOc1ccc([C@@H](C)OC(=O)c2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000825631636 604882897 /nfs/dbraw/zinc/88/28/97/604882897.db2.gz HDCJROGWUCDDQS-GFCCVEGCSA-N -1 0 342.322 3.454 20 30 EGEDRM C=CCC[C@@H](NC(=O)CCNC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000833373309 605003171 /nfs/dbraw/zinc/00/31/71/605003171.db2.gz KVTITPRRYUVQEZ-CYBMUJFWSA-N -1 0 344.333 3.487 20 30 EGEDRM C[C@H](C(=O)[O-])n1cccc1CN=Nc1nc(C(F)(F)F)cs1 ZINC000833404963 605040592 /nfs/dbraw/zinc/04/05/92/605040592.db2.gz AAXXRCGCKBVAHZ-SSDOTTSWSA-N -1 0 332.307 3.055 20 30 EGEDRM C=CCC[C@@H](NS(=O)(=O)c1ccccc1C(=O)[O-])c1ccccc1 ZINC000833373471 605050289 /nfs/dbraw/zinc/05/02/89/605050289.db2.gz QETOVHUHIZGRBA-MRXNPFEDSA-N -1 0 345.420 3.371 20 30 EGEDRM O=C([O-])c1ccccc1N=NCCCc1ccc2c(c1)OCCO2 ZINC000774589263 605099004 /nfs/dbraw/zinc/09/90/04/605099004.db2.gz OJNMEQQQWVBMMO-UHFFFAOYSA-N -1 0 326.352 3.187 20 30 EGEDRM C=CCOc1cccnc1C(=O)Oc1ccc(SCC(=O)[O-])cc1 ZINC000833377916 605152021 /nfs/dbraw/zinc/15/20/21/605152021.db2.gz FCUUEUWRXWPLEE-UHFFFAOYSA-N -1 0 345.376 3.042 20 30 EGEDRM C#CCOc1cc(F)ccc1NC(=O)NC1(CC(=O)[O-])CCCCC1 ZINC000833366273 605167446 /nfs/dbraw/zinc/16/74/46/605167446.db2.gz OXIDFDGXBYMBLL-UHFFFAOYSA-N -1 0 348.374 3.137 20 30 EGEDRM C=CCOc1ccccc1C(=O)O[C@@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC000833378824 605499379 /nfs/dbraw/zinc/49/93/79/605499379.db2.gz OLUSEGYYJZKOPB-KRWDZBQOSA-N -1 0 344.338 3.243 20 30 EGEDRM C[C@H](Oc1ccc(/C=C\C(=O)c2ccc(C#N)cc2F)cc1)C(=O)[O-] ZINC000794709482 605783445 /nfs/dbraw/zinc/78/34/45/605783445.db2.gz BGBNWRDMMUIDGI-LRAPTIAOSA-N -1 0 339.322 3.445 20 30 EGEDRM C=CCSc1ccccc1NC(=O)CN1CCCCC[C@@H]1C(=O)[O-] ZINC000833378006 605846545 /nfs/dbraw/zinc/84/65/45/605846545.db2.gz FWUXSXAEXSKAKT-OAHLLOKOSA-N -1 0 348.468 3.232 20 30 EGEDRM C[C@H]1CCC[C@H](CN=Nc2oc(C(C)(C)C)nc2-c2nnn[n-]2)C1 ZINC000824928214 608533410 /nfs/dbraw/zinc/53/34/10/608533410.db2.gz SIKXXKLZMDRTFA-QWRGUYRKSA-N -1 0 331.424 3.376 20 30 EGEDRM C[C@](O)(C/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cccs1 ZINC000304249862 1296907896 /nfs/dbraw/zinc/90/78/96/1296907896.db2.gz BLNGDOOENQBXFZ-WBNYAZSOSA-N -1 0 340.788 3.342 20 30 EGEDRM C[C@H](CC(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000042233993 1291437557 /nfs/dbraw/zinc/43/75/57/1291437557.db2.gz NHGWARWOSUVXMK-GFCCVEGCSA-N -1 0 348.380 3.434 20 30 EGEDRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)Cc1cccc2ccccc21 ZINC000042291116 1291439549 /nfs/dbraw/zinc/43/95/49/1291439549.db2.gz NJEMUYFHAOKHPB-UHFFFAOYSA-N -1 0 344.392 3.333 20 30 EGEDRM O=C([N-]S(=O)(=O)Cc1ccc(F)cc1)c1ccc2c(c1)CCC2 ZINC000045099724 1291505714 /nfs/dbraw/zinc/50/57/14/1291505714.db2.gz WGKRMBOFJZSNPE-UHFFFAOYSA-N -1 0 333.384 3.149 20 30 EGEDRM CC(C)(Oc1ccc(F)cc1)C(=O)[N-]S(=O)(=O)c1ccccc1 ZINC000048404941 1291603177 /nfs/dbraw/zinc/60/31/77/1291603177.db2.gz RHKRNXPRKNTYTG-UHFFFAOYSA-N -1 0 337.372 3.329 20 30 EGEDRM Cc1onc(-c2ccccc2)c1C(=O)[N-]S(=O)(=O)c1ccccc1 ZINC000048404273 1291603285 /nfs/dbraw/zinc/60/32/85/1291603285.db2.gz ZSQHJWQSROYUQK-UHFFFAOYSA-N -1 0 342.376 3.344 20 30 EGEDRM O=C([N-]S(=O)(=O)c1ccc(Cl)s1)c1cc(F)ccc1F ZINC000048460977 1291605981 /nfs/dbraw/zinc/60/59/81/1291605981.db2.gz NSBVECBAMLKFOU-UHFFFAOYSA-N -1 0 337.756 3.373 20 30 EGEDRM Cc1cc(C(=O)[N-]S(=O)(=O)c2ccc(C)cc2C)nn1C(C)(C)C ZINC000048477039 1291606928 /nfs/dbraw/zinc/60/69/28/1291606928.db2.gz QEVTYIINIYNVSJ-UHFFFAOYSA-N -1 0 349.456 3.257 20 30 EGEDRM Cc1cc(C(=O)[N-]S(=O)(=O)C=Cc2ccccc2)nn1C(C)(C)C ZINC000048531476 1291610451 /nfs/dbraw/zinc/61/04/51/1291610451.db2.gz DMZQDQYVFYEJLX-ZHACJKMWSA-N -1 0 347.440 3.252 20 30 EGEDRM O=C(CCCOc1ccccc1)[N-]S(=O)(=O)c1ccccc1F ZINC000048588784 1291612017 /nfs/dbraw/zinc/61/20/17/1291612017.db2.gz FMIHZILNZJFEDW-UHFFFAOYSA-N -1 0 337.372 3.330 20 30 EGEDRM Cc1cccc(O[C@@H](C)C(=O)[N-]S(=O)(=O)c2ccccc2F)c1 ZINC000048587691 1291612573 /nfs/dbraw/zinc/61/25/73/1291612573.db2.gz OGVICQGIUPUQTG-LBPRGKRZSA-N -1 0 337.372 3.247 20 30 EGEDRM CC(C)CCO[C@H](C)C(=O)[N-]S(=O)(=O)C=Cc1ccccc1 ZINC000069283280 1292238172 /nfs/dbraw/zinc/23/81/72/1292238172.db2.gz AMUULKGRANSCFV-IEZBTEQYSA-N -1 0 325.430 3.395 20 30 EGEDRM CC(C)CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccccc1Cl ZINC000069283782 1292239151 /nfs/dbraw/zinc/23/91/51/1292239151.db2.gz UTAYEDALAFEKKM-LLVKDONJSA-N -1 0 333.837 3.436 20 30 EGEDRM O=C([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1coc2ccccc12 ZINC000073086751 1292304511 /nfs/dbraw/zinc/30/45/11/1292304511.db2.gz ZHEIRCWPPIBXND-UHFFFAOYSA-N -1 0 346.320 3.035 20 30 EGEDRM CCC[C@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)c1cnn(C)c1 ZINC000073087629 1292305430 /nfs/dbraw/zinc/30/54/30/1292305430.db2.gz BMWAEUGJTJCINZ-CQSZACIVSA-N -1 0 341.477 3.452 20 30 EGEDRM COc1cc(C)sc1C(=O)[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC000073264014 1292312172 /nfs/dbraw/zinc/31/21/72/1292312172.db2.gz FQMRPNVQEJABQP-UHFFFAOYSA-N -1 0 343.401 3.039 20 30 EGEDRM CC(C)CS(=O)(=O)[N-]C(=O)[C@H](C)Oc1ccc(F)cc1Cl ZINC000073289717 1292314403 /nfs/dbraw/zinc/31/44/03/1292314403.db2.gz JATIBDCHYABSSY-VIFPVBQESA-N -1 0 337.800 3.189 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@H]2C)c(Br)c1 ZINC000075040594 1292380395 /nfs/dbraw/zinc/38/03/95/1292380395.db2.gz FEPRFBKKIGJDQT-BDAKNGLRSA-N -1 0 332.219 3.059 20 30 EGEDRM CCOc1ccc(S(=O)(=O)[N-]C(=O)CCC(F)(F)F)cc1 ZINC000076756904 1292439840 /nfs/dbraw/zinc/43/98/40/1292439840.db2.gz PMKOOJYJEKWRCH-UHFFFAOYSA-N -1 0 325.308 3.073 20 30 EGEDRM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)CC[C@H]2CC[C@@H](C)O2)c1 ZINC000076757599 1292440154 /nfs/dbraw/zinc/44/01/54/1292440154.db2.gz DYNDQWZUAZXEPC-ZIAGYGMSSA-N -1 0 325.430 3.296 20 30 EGEDRM Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2)c(F)c1 ZINC000079137260 1292542455 /nfs/dbraw/zinc/54/24/55/1292542455.db2.gz LGNSRKXFYKUSQX-UHFFFAOYSA-N -1 0 327.764 3.481 20 30 EGEDRM CCCCCCCS(=O)(=O)[N-]c1nnc(C2CCOCC2)s1 ZINC000829957396 1292646199 /nfs/dbraw/zinc/64/61/99/1292646199.db2.gz JRRZKTFZEWVVMN-UHFFFAOYSA-N -1 0 347.506 3.144 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000088799552 1292756386 /nfs/dbraw/zinc/75/63/86/1292756386.db2.gz LHPAJAQNADSWRI-UHFFFAOYSA-N -1 0 348.380 3.181 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2csc(-c3cccs3)n2)C(=O)O1 ZINC000102970885 1292989064 /nfs/dbraw/zinc/98/90/64/1292989064.db2.gz GALLPATXMWTODS-NNTXTVRGSA-N -1 0 345.401 3.100 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2cc(C(F)(F)F)ccc2F)C(=O)O1 ZINC000113006446 1293138648 /nfs/dbraw/zinc/13/86/48/1293138648.db2.gz IBSIJOOFULUSCY-IWZWCOEHSA-N -1 0 342.244 3.073 20 30 EGEDRM C[C@H](c1ccc(C([O-])=C(C#N)C(=O)c2nccn2C)cc1)C(F)(F)F ZINC000835234499 1293239915 /nfs/dbraw/zinc/23/99/15/1293239915.db2.gz CECNURSCZOCAMZ-MFKMUULPSA-N -1 0 349.312 3.291 20 30 EGEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000119722679 1293285148 /nfs/dbraw/zinc/28/51/48/1293285148.db2.gz ONYQTCRAOYNBFB-KRWDZBQOSA-N -1 0 349.434 3.428 20 30 EGEDRM CC(C)CCOc1ccc(C([O-])=C(C#N)C(=O)NC2CCCC2)cc1 ZINC000119829929 1293290771 /nfs/dbraw/zinc/29/07/71/1293290771.db2.gz ZLXUCOJPOYVWEW-GOSISDBHSA-N -1 0 342.439 3.493 20 30 EGEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1cnc(-c2ccccc2)s1 ZINC000119900455 1293293281 /nfs/dbraw/zinc/29/32/81/1293293281.db2.gz FJMJDWFWOWKLRJ-AWEZNQCLSA-N -1 0 339.420 3.191 20 30 EGEDRM CCCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2OCC#N)cc1 ZINC000122381872 1293411235 /nfs/dbraw/zinc/41/12/35/1293411235.db2.gz GGETWQIJNAYWNM-UHFFFAOYSA-N -1 0 348.399 3.481 20 30 EGEDRM N#CCCCCCC(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1F ZINC000836068429 1293435261 /nfs/dbraw/zinc/43/52/61/1293435261.db2.gz JHVLQDSLFWHVFC-UHFFFAOYSA-N -1 0 348.399 3.258 20 30 EGEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1cccc(-n2cccc2)c1 ZINC000126864011 1293546421 /nfs/dbraw/zinc/54/64/21/1293546421.db2.gz PNJFQUHBZGOYNS-IBGZPJMESA-N -1 0 343.386 3.116 20 30 EGEDRM COc1ccc(C([O-])=C(C#N)C(=O)NC(C)C)cc1-c1ccccc1 ZINC000127666184 1293570468 /nfs/dbraw/zinc/57/04/68/1293570468.db2.gz VVVYIRBXULPMFW-KRWDZBQOSA-N -1 0 336.391 3.209 20 30 EGEDRM CSc1cc(C([O-])=C(C#N)C(=O)NCc2ccccc2)ccc1F ZINC000155558827 1294103957 /nfs/dbraw/zinc/10/39/57/1294103957.db2.gz CZFXROFBZWWJBZ-CQSZACIVSA-N -1 0 342.395 3.186 20 30 EGEDRM O=C(/C=C/c1ccc(N2CCOCC2)c(F)c1)c1ccccc1[O-] ZINC000156597318 1294150192 /nfs/dbraw/zinc/15/01/92/1294150192.db2.gz IWGUDUKWCDZYLT-SOFGYWHQSA-N -1 0 327.355 3.264 20 30 EGEDRM CC(C)=CC(=O)NCc1ccc(C(=O)Nc2cc(C#N)ccc2[O-])cc1 ZINC000176396043 1294603456 /nfs/dbraw/zinc/60/34/56/1294603456.db2.gz FLEBMTGMCCLVGY-UHFFFAOYSA-N -1 0 349.390 3.099 20 30 EGEDRM C=CCc1ccc(OCC(=O)Nc2cc(C#N)ccc2[O-])c(OC)c1 ZINC000176394139 1294603512 /nfs/dbraw/zinc/60/35/12/1294603512.db2.gz QEBRKYXOMDXGHP-UHFFFAOYSA-N -1 0 338.363 3.018 20 30 EGEDRM COc1ccc2c(c1)C(=O)/C(=C/c1cccc(O[C@@H](C)C(=O)[O-])c1)C2 ZINC000176937937 1294644519 /nfs/dbraw/zinc/64/45/19/1294644519.db2.gz FDIMHZVLLOEXMQ-AAWHYMEISA-N -1 0 338.359 3.370 20 30 EGEDRM COc1ccc(Br)c(C(=O)Nc2cc(C#N)ccc2[O-])c1 ZINC000179734808 1294820899 /nfs/dbraw/zinc/82/08/99/1294820899.db2.gz OHHCGYOZNFYSFF-UHFFFAOYSA-N -1 0 347.168 3.287 20 30 EGEDRM CC(C)c1ccc([C@@H](C)CC(=O)[N-]S(=O)(=O)CCCC#N)cc1 ZINC000181258264 1294951305 /nfs/dbraw/zinc/95/13/05/1294951305.db2.gz IEIWHZMBFCXMMI-AWEZNQCLSA-N -1 0 336.457 3.053 20 30 EGEDRM C[C@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000183131641 1295100823 /nfs/dbraw/zinc/10/08/23/1295100823.db2.gz VTJOTAMCYVCYDX-SNVBAGLBSA-N -1 0 338.335 3.056 20 30 EGEDRM Cc1ccc(F)c(S(=O)(=O)[N-]c2ccccc2O[C@@H](C)C#N)c1 ZINC000183133510 1295101511 /nfs/dbraw/zinc/10/15/11/1295101511.db2.gz UUGXCHAWRLXHAW-LBPRGKRZSA-N -1 0 334.372 3.226 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cccc(Br)c1 ZINC000193376195 1295858933 /nfs/dbraw/zinc/85/89/33/1295858933.db2.gz BGKYEDRDSXUFEM-ZDUSSCGKSA-N -1 0 337.217 3.078 20 30 EGEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2ccc(Cl)s2)cc1 ZINC000193751698 1295907731 /nfs/dbraw/zinc/90/77/31/1295907731.db2.gz LCNGYYQYZKQIDG-LBPRGKRZSA-N -1 0 348.811 3.049 20 30 EGEDRM COc1cccc(C(=O)/C=C\c2cccc(O[C@@H](C)C(=O)[O-])c2)c1 ZINC000208114927 1296097493 /nfs/dbraw/zinc/09/74/93/1296097493.db2.gz VRQYVBJDUMDDCU-XPSMFNQNSA-N -1 0 326.348 3.443 20 30 EGEDRM CC(=O)N(c1nc(/C=C\C(=O)c2ccc(O)cc2)cs1)C1CC1 ZINC000254937001 1296480193 /nfs/dbraw/zinc/48/01/93/1296480193.db2.gz HFXZKYWUJPCJHT-WTKPLQERSA-N -1 0 328.393 3.260 20 30 EGEDRM COc1ccc2c(c1)C(=O)/C(=C\c1cccc(O[C@@H](C)C(=O)[O-])c1)C2 ZINC000254991286 1296486570 /nfs/dbraw/zinc/48/65/70/1296486570.db2.gz FDIMHZVLLOEXMQ-IYVNWDGISA-N -1 0 338.359 3.370 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])c(/C=N\C[C@H]2COC3(CCCCCC3)O2)c1 ZINC000588388290 1298055398 /nfs/dbraw/zinc/05/53/98/1298055398.db2.gz BHOWZLIBZKXQKD-PACYTGELSA-N -1 0 334.372 3.185 20 30 EGEDRM CC(=O)Nc1ccc(C(=O)/C=C\c2ccc([N+](=O)[O-])c([O-])c2)cc1 ZINC000588419362 1298062588 /nfs/dbraw/zinc/06/25/88/1298062588.db2.gz GQJXGAZLEISRPA-OQFOIZHKSA-N -1 0 326.308 3.155 20 30 EGEDRM CN1C(=O)CCc2cc(/C=C\C(=O)c3ccc(F)cc3[O-])ccc21 ZINC000588508867 1298074755 /nfs/dbraw/zinc/07/47/55/1298074755.db2.gz PAKFSBADXRUKQD-BAQGIRSFSA-N -1 0 325.339 3.336 20 30 EGEDRM Cc1cc(C(F)(F)F)ccc1C=CC([O-])=C1C(=O)C=C(C)OC1=O ZINC000588553317 1298083272 /nfs/dbraw/zinc/08/32/72/1298083272.db2.gz QQEQADGNOSGVNQ-VOKGJARPSA-N -1 0 338.281 3.242 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)/C=C(/C)c1ccc(C(F)(F)F)cc1 ZINC000588592852 1298089288 /nfs/dbraw/zinc/08/92/88/1298089288.db2.gz IQWQBQIYUOOCLY-LUAWRHEFSA-N -1 0 327.302 3.208 20 30 EGEDRM CN1C(=O)Cc2cc(N=Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])ccc21 ZINC000588610451 1298092484 /nfs/dbraw/zinc/09/24/84/1298092484.db2.gz LFCGNZIIJPBYFK-UHFFFAOYSA-N -1 0 345.742 3.223 20 30 EGEDRM O=C([O-])CCOc1cccc(C=NNCc2ccccc2Cl)c1 ZINC000746680367 1298640158 /nfs/dbraw/zinc/64/01/58/1298640158.db2.gz UNFVGAFQIPKCOW-UHFFFAOYSA-N -1 0 332.787 3.317 20 30 EGEDRM CCCCCCOc1cccc(C=NNc2nnc(C)c(=O)[n-]2)c1 ZINC000747045546 1298714725 /nfs/dbraw/zinc/71/47/25/1298714725.db2.gz DYFIBLODONGINA-UHFFFAOYSA-N -1 0 329.404 3.291 20 30 EGEDRM Cc1c(C([O-])=C(C#N)C(=O)NC2CCCCC2)cnc2ccccc12 ZINC000749026718 1299128828 /nfs/dbraw/zinc/12/88/28/1299128828.db2.gz QMSUJAQLYINIGX-INIZCTEOSA-N -1 0 335.407 3.315 20 30 EGEDRM O=C([N-]CCOc1cccc(C(F)(F)F)c1)C(F)(F)C(F)F ZINC000749349257 1299198503 /nfs/dbraw/zinc/19/85/03/1299198503.db2.gz DTZXKTALUNVSRY-UHFFFAOYSA-N -1 0 333.203 3.101 20 30 EGEDRM CC(N=Nc1nc(-c2ccccc2)no1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000749608491 1299246621 /nfs/dbraw/zinc/24/66/21/1299246621.db2.gz OOHKEJSCPNUOHB-UHFFFAOYSA-N -1 0 339.311 3.187 20 30 EGEDRM C[C@H](C#N)CSc1ccccc1[N-]C(=S)NC[C@@H]1CCOC1 ZINC000749704874 1299258226 /nfs/dbraw/zinc/25/82/26/1299258226.db2.gz LREHYJLHWUBNQE-OLZOCXBDSA-N -1 0 335.498 3.261 20 30 EGEDRM CC(C)c1ccc2c(c1)C(=N[N-]c1nc(-c3ccncc3)no1)C(=O)N2 ZINC000750948095 1299485650 /nfs/dbraw/zinc/48/56/50/1299485650.db2.gz GMOXBKWVKYRVPW-UHFFFAOYSA-N -1 0 348.366 3.023 20 30 EGEDRM CCOC(=O)C(F)(F)[C@@H]1CCC(N=Nc2ccccc2C(=O)[O-])C1 ZINC000752720727 1299782839 /nfs/dbraw/zinc/78/28/39/1299782839.db2.gz MLZFKFQGBIRGTQ-SNVBAGLBSA-N -1 0 340.326 3.151 20 30 EGEDRM C#CCOc1ccc(C(=O)Nc2cc(Br)ccc2O)cc1 ZINC000754442641 1300145582 /nfs/dbraw/zinc/14/55/82/1300145582.db2.gz VBUKQVNVRUKSRF-UHFFFAOYSA-N -1 0 346.180 3.419 20 30 EGEDRM Cc1nnc(N=NC[C@H](C)Cc2ccc(C(C)(C)C)cc2)[n-]c1=O ZINC000754701241 1300194524 /nfs/dbraw/zinc/19/45/24/1300194524.db2.gz QBUMUERQERDEAK-GFCCVEGCSA-N -1 0 327.432 3.460 20 30 EGEDRM Cc1cccn2c(C=NNc3ccc(Cl)c(C(=O)[O-])c3)cnc12 ZINC000755467008 1300343448 /nfs/dbraw/zinc/34/34/48/1300343448.db2.gz LTCCCIJDUVJJMG-UHFFFAOYSA-N -1 0 328.759 3.440 20 30 EGEDRM O=c1c2ccccc2[n-]c(=S)n1N=Cc1coc(-c2ccccc2)n1 ZINC000755617510 1300367200 /nfs/dbraw/zinc/36/72/00/1300367200.db2.gz LVYSBPSSROXQPJ-UHFFFAOYSA-N -1 0 348.387 3.222 20 30 EGEDRM O=C([O-])c1csc(C=NN2C(=S)N=NC2c2ccc(F)cc2)c1 ZINC000755618856 1300367221 /nfs/dbraw/zinc/36/72/21/1300367221.db2.gz SFJXAXHODHNGPG-UHFFFAOYSA-N -1 0 348.384 3.015 20 30 EGEDRM CCCCCCN=Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cn1 ZINC000755645213 1300372502 /nfs/dbraw/zinc/37/25/02/1300372502.db2.gz LUICMMJEBCYOFU-UHFFFAOYSA-N -1 0 347.444 3.255 20 30 EGEDRM C#CCCOc1ccc(CN=Nc2ccc(C(=O)[O-])cc2OC)cc1 ZINC000756905708 1300587555 /nfs/dbraw/zinc/58/75/55/1300587555.db2.gz GDQFTTZZBWRISL-UHFFFAOYSA-N -1 0 338.363 3.242 20 30 EGEDRM COc1ccc(O)c(C(=O)/C=C/c2cccc(O[C@H](C)C(=O)[O-])c2)c1 ZINC000757466896 1300673931 /nfs/dbraw/zinc/67/39/31/1300673931.db2.gz AIWWWOYQJJTDQF-WAFBPQNNSA-N -1 0 342.347 3.149 20 30 EGEDRM Cc1ccc(O)c(C(=O)/C=C/c2cccc(OCCC(=O)[O-])c2)c1 ZINC000757475273 1300675374 /nfs/dbraw/zinc/67/53/74/1300675374.db2.gz IPRZUSXIXHGVJR-SOFGYWHQSA-N -1 0 326.348 3.450 20 30 EGEDRM COc1ccc(C(=O)/C=C/c2cccc3c2OCCCO3)c([O-])c1 ZINC000757472763 1300675545 /nfs/dbraw/zinc/67/55/45/1300675545.db2.gz SGKJSVKKDIJLEK-RMKNXTFCSA-N -1 0 326.348 3.458 20 30 EGEDRM C=C[C@H](CC(=O)OCC(=O)[N-]OCc1ccccc1)c1ccccc1 ZINC000758911452 1300977238 /nfs/dbraw/zinc/97/72/38/1300977238.db2.gz BIDFASMKZAUPHE-QGZVFWFLSA-N -1 0 339.391 3.138 20 30 EGEDRM COCCOc1ccccc1/C=C\C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000759091767 1301013535 /nfs/dbraw/zinc/01/35/35/1301013535.db2.gz SZRXNEGDWNTPOF-VURMDHGXSA-N -1 0 343.335 3.222 20 30 EGEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)C=C(CC)CC ZINC000759244080 1301048288 /nfs/dbraw/zinc/04/82/88/1301048288.db2.gz XLFVILHKBPSOAV-AWEZNQCLSA-N -1 0 344.411 3.446 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)CN[C@H](c2ccccc2)C(F)(F)F)c1 ZINC000759712891 1301146979 /nfs/dbraw/zinc/14/69/79/1301146979.db2.gz BOUORKDFRZTDLR-MRXNPFEDSA-N -1 0 349.312 3.096 20 30 EGEDRM CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1cc(CC#N)ccn1 ZINC000763253609 1301857113 /nfs/dbraw/zinc/85/71/13/1301857113.db2.gz ZKNFXTDDFVWVOO-UHFFFAOYSA-N -1 0 329.425 3.246 20 30 EGEDRM CC(C)(C)c1ccc(C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)s1 ZINC000763465195 1301910227 /nfs/dbraw/zinc/91/02/27/1301910227.db2.gz CUCWFINTXODSJP-UHFFFAOYSA-N -1 0 348.449 3.036 20 30 EGEDRM O=C([O-])c1csc(/C=C/C(=O)c2ccc(N3CCOCC3)cc2)c1 ZINC000765823015 1302336322 /nfs/dbraw/zinc/33/63/22/1302336322.db2.gz CTNHGFZKCKWCBI-AATRIKPKSA-N -1 0 343.404 3.179 20 30 EGEDRM C#CCCN(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])CC(F)(F)F ZINC000768535296 1302927780 /nfs/dbraw/zinc/92/77/80/1302927780.db2.gz WSSYHRIQFZNXTE-UHFFFAOYSA-N -1 0 336.697 3.341 20 30 EGEDRM C[C@@H](Oc1cccc(C=NNc2ccc(F)c([N+](=O)[O-])c2)c1)C(=O)[O-] ZINC000769829518 1303182376 /nfs/dbraw/zinc/18/23/76/1303182376.db2.gz RWBXLPUPJLOXQH-SNVBAGLBSA-N -1 0 347.302 3.032 20 30 EGEDRM COc1cc(/C=C\C(=O)c2cc(F)cc(F)c2[O-])ccc1[N+](=O)[O-] ZINC000770571200 1303286654 /nfs/dbraw/zinc/28/66/54/1303286654.db2.gz CBQIQGJTFNGSKW-HYXAFXHYSA-N -1 0 335.262 3.483 20 30 EGEDRM CN(C)c1cc(F)ccc1C(=O)/C=C\c1cc([O-])ccc1[N+](=O)[O-] ZINC000772800271 1303577944 /nfs/dbraw/zinc/57/79/44/1303577944.db2.gz FMSSNPDTHJPDAD-BAQGIRSFSA-N -1 0 330.315 3.402 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(OC)c(C2CC2)c1 ZINC000774042792 1303767039 /nfs/dbraw/zinc/76/70/39/1303767039.db2.gz KLGSXIXDKGATGI-INIZCTEOSA-N -1 0 328.412 3.201 20 30 EGEDRM N#CC(C(=O)Nc1ccc(Cl)cc1Cl)=C([O-])c1nccs1 ZINC000774050868 1303768421 /nfs/dbraw/zinc/76/84/21/1303768421.db2.gz HHSLKEQHHQMOSI-QMMMGPOBSA-N -1 0 340.191 3.411 20 30 EGEDRM CC(=O)c1ccc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)o1 ZINC000774052234 1303768917 /nfs/dbraw/zinc/76/89/17/1303768917.db2.gz LTVIVARRMVYELI-SNVBAGLBSA-N -1 0 330.727 3.097 20 30 EGEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1ccc(C(C)=O)o1)c1ccccc1 ZINC000774259452 1303791328 /nfs/dbraw/zinc/79/13/28/1303791328.db2.gz JCOVZMBRBCVLIO-GJZGRUSLSA-N -1 0 338.363 3.072 20 30 EGEDRM C#CCOc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000775298169 1303936597 /nfs/dbraw/zinc/93/65/97/1303936597.db2.gz KCVSBBUQEHGMGV-UHFFFAOYSA-N -1 0 339.775 3.292 20 30 EGEDRM COc1cc(/C=C/C(=O)c2ccc(C#N)c(F)c2)cc([N+](=O)[O-])c1[O-] ZINC000776725477 1304187986 /nfs/dbraw/zinc/18/79/86/1304187986.db2.gz BJKUXAUGHKNFFG-GORDUTHDSA-N -1 0 342.282 3.216 20 30 EGEDRM Cc1nc(C)c(C(C)N=Nc2ncnc3ccsc32)cc1C(=O)[O-] ZINC000776725694 1304188114 /nfs/dbraw/zinc/18/81/14/1304188114.db2.gz DSMQCHXCKKQGEG-UHFFFAOYSA-N -1 0 341.396 3.237 20 30 EGEDRM Cc1nc(C)c(C(C)N=Nc2cnc3ccccc3n2)cc1C(=O)[O-] ZINC000776729177 1304188916 /nfs/dbraw/zinc/18/89/16/1304188916.db2.gz IRSXFDGAUGZJEN-UHFFFAOYSA-N -1 0 335.367 3.176 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cc(C)n([C@@H](C)C2CC2)n1 ZINC000777299595 1304280177 /nfs/dbraw/zinc/28/01/77/1304280177.db2.gz IMQDCVAAAZMHRG-GOEBONIOSA-N -1 0 344.459 3.182 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@H]2C[C@H](C)C[C@H](C)C2)n1 ZINC000780232247 1304659538 /nfs/dbraw/zinc/65/95/38/1304659538.db2.gz KOTJXFXUQHWLTK-UNJBNNCHSA-N -1 0 334.441 3.243 20 30 EGEDRM CC(=O)Nc1ccc(C(=O)/C=C/c2cccc(OCC(=O)[O-])c2)cc1 ZINC000781553087 1304841163 /nfs/dbraw/zinc/84/11/63/1304841163.db2.gz JSPREHHHYANEGN-BJMVGYQFSA-N -1 0 339.347 3.005 20 30 EGEDRM Cn1nc(C(F)(F)F)c(C=NNc2ccccc2C(=O)[O-])c1Cl ZINC000781586894 1304844881 /nfs/dbraw/zinc/84/48/81/1304844881.db2.gz ZXZYLMDGBIDLPS-UHFFFAOYSA-N -1 0 346.696 3.237 20 30 EGEDRM Cc1c(C(=O)/C=C\c2cc(C(=O)[O-])cs2)cnn1-c1ccccn1 ZINC000782206184 1304931032 /nfs/dbraw/zinc/93/10/32/1304931032.db2.gz HXDIRAYTLYJYAQ-WAYWQWQTSA-N -1 0 339.376 3.232 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(C(=O)CC)cc1 ZINC000783347507 1305082657 /nfs/dbraw/zinc/08/26/57/1305082657.db2.gz NRQTYCKBASNUIB-INIZCTEOSA-N -1 0 328.412 3.298 20 30 EGEDRM C=CC(C)(C)CC(=O)[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000892412389 1305358348 /nfs/dbraw/zinc/35/83/48/1305358348.db2.gz WUZKKQQWIUDCMM-UHFFFAOYSA-N -1 0 335.347 3.113 20 30 EGEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2csc(C(C)C)n2)c1 ZINC000786538641 1305593069 /nfs/dbraw/zinc/59/30/69/1305593069.db2.gz AMSYLLUMVRVSMG-CQSZACIVSA-N -1 0 341.436 3.214 20 30 EGEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2cc3ccccc3o2)c1 ZINC000786544405 1305593941 /nfs/dbraw/zinc/59/39/41/1305593941.db2.gz WVCWTMJREUUTKG-MRXNPFEDSA-N -1 0 332.359 3.380 20 30 EGEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1ccn(C(C)C)n1)c1ccccc1 ZINC000787041065 1305681494 /nfs/dbraw/zinc/68/14/94/1305681494.db2.gz YEKKRNYHOUAJQS-CVEARBPZSA-N -1 0 338.411 3.054 20 30 EGEDRM COc1cc(NN=Cc2ccccc2OCC(=O)[O-])ccc1Cl ZINC000788471887 1305950785 /nfs/dbraw/zinc/95/07/85/1305950785.db2.gz JHOKWBQOCDXQOO-UHFFFAOYSA-N -1 0 334.759 3.258 20 30 EGEDRM COc1ccc2nc(C=NNc3ccc(C(=O)[O-])cc3)sc2c1 ZINC000788693707 1305998244 /nfs/dbraw/zinc/99/82/44/1305998244.db2.gz MTAINZNHEOSURW-UHFFFAOYSA-N -1 0 327.365 3.449 20 30 EGEDRM N#Cc1ccc(N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c(Cl)c1 ZINC000893911313 1306125842 /nfs/dbraw/zinc/12/58/42/1306125842.db2.gz ACJIWJFIJOYODY-NSHDSACASA-N -1 0 345.752 3.107 20 30 EGEDRM C[C@H](/N=C\c1cc(Cl)cc(Cl)c1[O-])c1nnnn1C1CC1 ZINC000790100836 1306260744 /nfs/dbraw/zinc/26/07/44/1306260744.db2.gz ZJAYDIXNNQYYPT-FGIHVMRQSA-N -1 0 326.187 3.201 20 30 EGEDRM Cc1nnc([S-])n(N=CCCc2c(Cl)cccc2Cl)c1=O ZINC000790147592 1306267791 /nfs/dbraw/zinc/26/77/91/1306267791.db2.gz IPCCCYONEXQLJS-UHFFFAOYSA-N -1 0 343.239 3.009 20 30 EGEDRM CC[C@@H](NN=Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C(=O)[O-] ZINC000793071840 1309290668 /nfs/dbraw/zinc/29/06/68/1309290668.db2.gz HVUKAYLELAAHKM-GFCCVEGCSA-N -1 0 333.369 3.110 20 30 EGEDRM CC[C@H](NN=C(C)c1cccc(OCc2ccccc2)c1)C(=O)[O-] ZINC000793072709 1309291089 /nfs/dbraw/zinc/29/10/89/1309291089.db2.gz VRYFRRRGHOLUQA-SFHVURJKSA-N -1 0 326.396 3.442 20 30 EGEDRM CCC(=O)c1ccc([O-])c(NC(=O)c2ccc(C=NOC)cc2)c1 ZINC000794609881 1309553572 /nfs/dbraw/zinc/55/35/72/1309553572.db2.gz MQPWXAMXXQXAPH-UHFFFAOYSA-N -1 0 326.352 3.218 20 30 EGEDRM C[C@@H](Oc1ccc(/C=C2/Oc3cc(F)ccc3C2=O)cc1)C(=O)[O-] ZINC000794712768 1309579651 /nfs/dbraw/zinc/57/96/51/1309579651.db2.gz KYAWYBSSEBZVCY-LYQMGENXSA-N -1 0 328.295 3.294 20 30 EGEDRM COC(=O)c1ccc(Cl)c(C=NNc2ccccc2C(=O)[O-])c1 ZINC000794850704 1309607729 /nfs/dbraw/zinc/60/77/29/1309607729.db2.gz KNEKFBPKDCKEPO-UHFFFAOYSA-N -1 0 332.743 3.271 20 30 EGEDRM O=C([O-])COc1cccc(C(=O)/C=C\c2c(F)ccc(O)c2F)c1 ZINC000794933622 1309625384 /nfs/dbraw/zinc/62/53/84/1309625384.db2.gz JYZGTCXBYYBJMZ-XQRVVYSFSA-N -1 0 334.274 3.030 20 30 EGEDRM COc1cc2c(cc1OC)C(=O)/C(=C\c1ccc([O-])c([N+](=O)[O-])c1)C2 ZINC000794960556 1309633783 /nfs/dbraw/zinc/63/37/83/1309633783.db2.gz DDTCQXKAOSXOSZ-XGICHPGQSA-N -1 0 341.319 3.140 20 30 EGEDRM O=C([O-])c1ccccc1COc1cccc(CN=Nc2cncnc2)c1 ZINC000794979672 1309638981 /nfs/dbraw/zinc/63/89/81/1309638981.db2.gz NSLQLZSHNOOBAO-UHFFFAOYSA-N -1 0 348.362 3.200 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)NCC(C)(C)c1ccc(F)cc1Cl ZINC000797725354 1310237927 /nfs/dbraw/zinc/23/79/27/1310237927.db2.gz SWXNKRAZRDQUKC-UHFFFAOYSA-N -1 0 342.798 3.039 20 30 EGEDRM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1c(F)cc(C#N)cc1F ZINC000800148261 1310682968 /nfs/dbraw/zinc/68/29/68/1310682968.db2.gz KPQFGZLSLMINQC-UHFFFAOYSA-N -1 0 335.241 3.445 20 30 EGEDRM CCOC(=O)Oc1ccc(C([O-])=C(C#N)c2nc(C)cs2)cc1 ZINC000800382105 1310746003 /nfs/dbraw/zinc/74/60/03/1310746003.db2.gz AIIRRJXCZHUOSY-CYBMUJFWSA-N -1 0 330.365 3.477 20 30 EGEDRM C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1n[nH]c(-c2cc3ccccc3o2)n1 ZINC000898633496 1310808782 /nfs/dbraw/zinc/80/87/82/1310808782.db2.gz BMAGUSKELATESD-WFASDCNBSA-N -1 0 338.367 3.138 20 30 EGEDRM N#Cc1ccccc1[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC2=O ZINC000800929490 1310838738 /nfs/dbraw/zinc/83/87/38/1310838738.db2.gz HQTPXVJKRDMXJV-UHFFFAOYSA-N -1 0 346.795 3.141 20 30 EGEDRM CCCCCN1c2ccccc2C(=N[N-]c2ncc(Cl)cn2)C1=O ZINC000857221854 1328524889 /nfs/dbraw/zinc/52/48/89/1328524889.db2.gz SDSJGRFUYVLCOV-UHFFFAOYSA-N -1 0 343.818 3.483 20 30 EGEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1cc(C)cc(C)n1)c1ccccc1 ZINC000802219426 1316990570 /nfs/dbraw/zinc/99/05/70/1316990570.db2.gz WJHPFDWNONCVLD-SJORKVTESA-N -1 0 335.407 3.288 20 30 EGEDRM COCCn1nc(C)c(C(=O)/C=C/c2ccc(C)c(C(=O)[O-])c2)c1C ZINC000899366893 1317003576 /nfs/dbraw/zinc/00/35/76/1317003576.db2.gz RFADRZBXIPCXMO-BQYQJAHWSA-N -1 0 342.395 3.049 20 30 EGEDRM C[C@H](Oc1cccc(/C=C/C(=O)c2ccnn2C2CCC2)c1)C(=O)[O-] ZINC000899396805 1317018038 /nfs/dbraw/zinc/01/80/38/1317018038.db2.gz IEEHKXHRXGPFCQ-XEHSLEBBSA-N -1 0 340.379 3.356 20 30 EGEDRM C[C@@H](Oc1ccc(/C=C/C(=O)c2ccnn2C2CCC2)cc1)C(=O)[O-] ZINC000899397833 1317018594 /nfs/dbraw/zinc/01/85/94/1317018594.db2.gz VTSJBJFWTXIPDL-UTSBKAFOSA-N -1 0 340.379 3.356 20 30 EGEDRM COc1ccc(C(=O)[O-])cc1/C=C\C(=O)c1cnn(CC2CCC2)c1 ZINC000899422134 1317029372 /nfs/dbraw/zinc/02/93/72/1317029372.db2.gz NBJSKMAPXBNXLG-ALCCZGGFSA-N -1 0 340.379 3.286 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)C(C2CCC2)C2CCC2)n1 ZINC000803788331 1317162760 /nfs/dbraw/zinc/16/27/60/1317162760.db2.gz RPWMROHPRVPPAF-AWEZNQCLSA-N -1 0 346.452 3.387 20 30 EGEDRM C#CC[C@H](NC(=O)Nc1ccc(S[C@@H](C)CC)cc1C)C(=O)[O-] ZINC000900332692 1317275479 /nfs/dbraw/zinc/27/54/79/1317275479.db2.gz FIQSSIPZLRGKLX-WFASDCNBSA-N -1 0 334.441 3.484 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)Nc1ccc(N2CCCC[C@H]2C)cc1C ZINC000900342603 1317277048 /nfs/dbraw/zinc/27/70/48/1317277048.db2.gz RFIMXEOTLACCFK-OAHLLOKOSA-N -1 0 345.443 3.478 20 30 EGEDRM N#C[C@@H]1CCCN(C(=O)c2cc(Br)cc(Cl)c2[O-])C1 ZINC000900637892 1317317293 /nfs/dbraw/zinc/31/72/93/1317317293.db2.gz ULBHSWGBCRSGFR-QMMMGPOBSA-N -1 0 343.608 3.184 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cncc(C(F)(F)F)c1 ZINC000808977866 1317755679 /nfs/dbraw/zinc/75/56/79/1317755679.db2.gz AHPVLDZTNRMJDU-ZDUSSCGKSA-N -1 0 341.333 3.119 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)[C@@H]2CCN(c3ccccc3Cl)C2)c1 ZINC000810467634 1318012065 /nfs/dbraw/zinc/01/20/65/1318012065.db2.gz WZPYXUVPKLOAMT-CYBMUJFWSA-N -1 0 341.798 3.382 20 30 EGEDRM N#Cc1c([N-]S(=O)(=O)Cc2ccccc2F)sc2c1CCC2 ZINC000906072791 1318034396 /nfs/dbraw/zinc/03/43/96/1318034396.db2.gz KOPQOWCNYUXGEZ-UHFFFAOYSA-N -1 0 336.413 3.189 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)CCCc2c[nH]c3ccccc23)CC1 ZINC000810979449 1318084214 /nfs/dbraw/zinc/08/42/14/1318084214.db2.gz CWASYLRZZIMBRP-UHFFFAOYSA-N -1 0 346.452 3.045 20 30 EGEDRM C[C@H](Oc1cccc(C(=O)/C=C\c2cccc(F)c2C#N)c1)C(=O)[O-] ZINC000811689550 1318227172 /nfs/dbraw/zinc/22/71/72/1318227172.db2.gz GOJFVHDXCVOQLH-LAUAKBEESA-N -1 0 339.322 3.445 20 30 EGEDRM C=CCC[C@@H](NC(=O)Nc1cnn([C@H](C)c2ccccc2)c1)C(=O)[O-] ZINC000908678970 1318389010 /nfs/dbraw/zinc/38/90/10/1318389010.db2.gz JELFGCCCSISXKV-CZUORRHYSA-N -1 0 342.399 3.033 20 30 EGEDRM O=C([O-])COc1ccc(C=NNc2ccccc2Br)cc1 ZINC000812462684 1318398562 /nfs/dbraw/zinc/39/85/62/1318398562.db2.gz RUZXCYLGECKTBG-UHFFFAOYSA-N -1 0 349.184 3.359 20 30 EGEDRM C=CC[C@H](C(=O)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1)c1ccccc1 ZINC000909766055 1318523273 /nfs/dbraw/zinc/52/32/73/1318523273.db2.gz XQRREYNKSXVLBD-XJKSGUPXSA-N -1 0 341.329 3.212 20 30 EGEDRM C=C(C)[C@@H](CC(=O)Nc1cccc(C(=O)[O-])c1OC(C)C)OCC ZINC000911734330 1318763197 /nfs/dbraw/zinc/76/31/97/1318763197.db2.gz QPMQBBGVNCJEHU-OAHLLOKOSA-N -1 0 335.400 3.482 20 30 EGEDRM CC(=NNC(=S)Nc1ccccc1F)c1csc(C(=O)[O-])c1 ZINC000814712520 1318802207 /nfs/dbraw/zinc/80/22/07/1318802207.db2.gz BQTSGMNYBFLKNW-UHFFFAOYSA-N -1 0 337.401 3.296 20 30 EGEDRM CC(=NNCc1cc(F)ccc1F)c1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000814808615 1318823056 /nfs/dbraw/zinc/82/30/56/1318823056.db2.gz CWEDLLBIILBJPL-LBPRGKRZSA-N -1 0 348.349 3.331 20 30 EGEDRM CC(C)Cc1nc(C#N)c(N=NC(C)c2csc(C(=O)[O-])c2)o1 ZINC000814820382 1318823731 /nfs/dbraw/zinc/82/37/31/1318823731.db2.gz AMINEZDPQCGBMC-UHFFFAOYSA-N -1 0 332.385 3.341 20 30 EGEDRM C[C@H]1C(N=Nc2nc(-c3ccncc3)no2)CC[C@@H](C(=O)[O-])C1(C)C ZINC000814827320 1318825262 /nfs/dbraw/zinc/82/52/62/1318825262.db2.gz FCSONCDSAJBOAP-JQWIXIFHSA-N -1 0 343.387 3.056 20 30 EGEDRM O=C([O-])c1cccc(C=NNc2cnc3ccccc3n2)c1Cl ZINC000814830883 1318826851 /nfs/dbraw/zinc/82/68/51/1318826851.db2.gz UQOSMDAAUQYDCE-UHFFFAOYSA-N -1 0 326.743 3.427 20 30 EGEDRM CC(CC1(C(=O)[O-])CCC1)=NNC(=S)Nc1ccc(N(C)C)cc1 ZINC000814838349 1318828267 /nfs/dbraw/zinc/82/82/67/1318828267.db2.gz KGIZJVUHEMWCTJ-UHFFFAOYSA-N -1 0 348.472 3.060 20 30 EGEDRM CC(CCc1ccc(OCCC(=O)[O-])cc1)=NO[C@@H]1CCCCO1 ZINC000814888097 1318840068 /nfs/dbraw/zinc/84/00/68/1318840068.db2.gz XIBHXRHABWDVTI-GOSISDBHSA-N -1 0 335.400 3.392 20 30 EGEDRM CC(CCc1ccc(OCC(=O)[O-])cc1)=NNCCC(F)(F)F ZINC000814920936 1318848624 /nfs/dbraw/zinc/84/86/24/1318848624.db2.gz ZKHNFDBLCLQRBS-UHFFFAOYSA-N -1 0 332.322 3.001 20 30 EGEDRM Cc1cc(C)c(C(=O)[O-])cc1C=NNc1ccc2c(cc[nH]c2=O)c1 ZINC000814924444 1318849995 /nfs/dbraw/zinc/84/99/95/1318849995.db2.gz NFBUDYNHHJRFGO-UHFFFAOYSA-N -1 0 335.363 3.289 20 30 EGEDRM N#Cc1nc(NC(=O)c2ccccc2Oc2ccccc2)[n-]c1C#N ZINC000914535574 1319342249 /nfs/dbraw/zinc/34/22/49/1319342249.db2.gz SUQDXGXCJFLAMN-UHFFFAOYSA-N -1 0 329.319 3.198 20 30 EGEDRM O=C([O-])Cc1ccc(C(=O)/C=C\c2cnn(-c3ccccc3)c2)cc1 ZINC000915988217 1319579759 /nfs/dbraw/zinc/57/97/59/1319579759.db2.gz SKKZUAONZIJNQS-FLIBITNWSA-N -1 0 332.359 3.396 20 30 EGEDRM Cc1sc2ncnc(NN=Cc3cc([N+](=O)[O-])ccc3[O-])c2c1C ZINC000916307740 1319636807 /nfs/dbraw/zinc/63/68/07/1319636807.db2.gz NHVOGBHDRNYFEZ-UHFFFAOYSA-N -1 0 343.368 3.368 20 30 EGEDRM CSCc1ccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)cc1 ZINC000916892239 1319720462 /nfs/dbraw/zinc/72/04/62/1319720462.db2.gz CSJIWANXOIUVMV-MRXNPFEDSA-N -1 0 330.453 3.321 20 30 EGEDRM C=CCNC(=O)C(C#N)=C([O-])c1sc2cccc(C)c2c1Cl ZINC000916921289 1319725815 /nfs/dbraw/zinc/72/58/15/1319725815.db2.gz SBQSVYVZAACXJW-JTQLQIEISA-N -1 0 332.812 3.488 20 30 EGEDRM C[NH+](C)Cc1cccc(C(=O)/C=C/c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000821022046 1319993925 /nfs/dbraw/zinc/99/39/25/1319993925.db2.gz MTWBMBDELBZYHN-SOFGYWHQSA-N -1 0 326.352 3.258 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H](CC)Cc2ccccc2C)CC1 ZINC000821133320 1320001108 /nfs/dbraw/zinc/00/11/08/1320001108.db2.gz GJXIOEGNSRCPNK-HNNXBMFYSA-N -1 0 335.469 3.118 20 30 EGEDRM C=CCO[N-]C(=O)[C@H](C)Oc1ccc(Cl)cc1Br ZINC000837044001 1320568286 /nfs/dbraw/zinc/56/82/86/1320568286.db2.gz UPBIHICLJBGXOU-QMMMGPOBSA-N -1 0 334.597 3.104 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2c(C)cccc2Cl)n1 ZINC000837768042 1320682548 /nfs/dbraw/zinc/68/25/48/1320682548.db2.gz IPGZPORPPBJAST-LLVKDONJSA-N -1 0 348.811 3.447 20 30 EGEDRM C#CCCCS(=O)(=O)[N-]c1ncccc1O[C@H](C)c1ccccc1 ZINC000840948853 1321183714 /nfs/dbraw/zinc/18/37/14/1321183714.db2.gz LRPLSPSJBFFTME-OAHLLOKOSA-N -1 0 344.436 3.377 20 30 EGEDRM CC(C)(C)n1cc(C(=O)C([O-])=C(C#N)c2nc(C3CC3)cs2)cn1 ZINC000842941015 1321452027 /nfs/dbraw/zinc/45/20/27/1321452027.db2.gz GTNNTLNRCAJYRJ-GFCCVEGCSA-N -1 0 342.424 3.031 20 30 EGEDRM CCN(C)c1ccc(/C=C2\C[C@@H](C(=O)[O-])c3ccccc3C2=O)cn1 ZINC000843268932 1321496365 /nfs/dbraw/zinc/49/63/65/1321496365.db2.gz OMBWMGJPXFAUKE-IDKBZEPQSA-N -1 0 336.391 3.376 20 30 EGEDRM C=CCC1(C(=O)[N-]S(=O)(=O)Cc2ccc(Cl)cc2)CCCC1 ZINC000845889783 1321751879 /nfs/dbraw/zinc/75/18/79/1321751879.db2.gz ZWKFIDLAAVNTIU-UHFFFAOYSA-N -1 0 341.860 3.423 20 30 EGEDRM C=C(C)CO[N-]C(=O)C(=O)Nc1ccc(S[C@@H](C)CC)cc1C ZINC000846149281 1321772211 /nfs/dbraw/zinc/77/22/11/1321772211.db2.gz JSYXTXIMMGHMQG-ZDUSSCGKSA-N -1 0 336.457 3.448 20 30 EGEDRM C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cccc(CSC(C)C)c1C ZINC000846153494 1321772280 /nfs/dbraw/zinc/77/22/80/1321772280.db2.gz HAIQFNYQXKBERJ-LBPRGKRZSA-N -1 0 336.457 3.197 20 30 EGEDRM C=C(C)CO[N-]C(=O)C(=O)Nc1cccc(Cl)c1SC(C)C ZINC000846149709 1321772302 /nfs/dbraw/zinc/77/23/02/1321772302.db2.gz PTHQYGYGWXJLDL-UHFFFAOYSA-N -1 0 342.848 3.403 20 30 EGEDRM CC[C@H](C)c1nc(C)c(CC(=O)Nc2cc(C#N)ccc2[O-])c(C)n1 ZINC000847616871 1321885176 /nfs/dbraw/zinc/88/51/76/1321885176.db2.gz UCXTYCMFLIIRND-NSHDSACASA-N -1 0 338.411 3.365 20 30 EGEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N\Cc2cccc3c2OCO3)c1[O-] ZINC000918712041 1321981171 /nfs/dbraw/zinc/98/11/71/1321981171.db2.gz FKMRLXHWQZNICV-IDUWFGFVSA-N -1 0 334.715 3.302 20 30 EGEDRM Cn1cc(C([O-])=C(C#N)c2nc3ccccc3o2)c(C(F)(F)F)n1 ZINC000920115844 1322139015 /nfs/dbraw/zinc/13/90/15/1322139015.db2.gz MHGLGBDRTDFGLJ-MRVPVSSYSA-N -1 0 334.257 3.070 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)Cc2ccc(C)c(C)c2)n1 ZINC000920766836 1322220311 /nfs/dbraw/zinc/22/03/11/1322220311.db2.gz IAWDTUNIEILWOW-OAHLLOKOSA-N -1 0 342.420 3.031 20 30 EGEDRM CCCCCCCC[C@H](C)C(=O)[N-]S(=O)(=O)Cc1ccon1 ZINC000850872475 1322304928 /nfs/dbraw/zinc/30/49/28/1322304928.db2.gz OHIHPEADCVABCE-ZDUSSCGKSA-N -1 0 330.450 3.007 20 30 EGEDRM Cc1ccc(CS(=O)(=O)[N-]C(=O)CC2(C#N)CCCCC2)c(C)c1 ZINC000850983170 1322319503 /nfs/dbraw/zinc/31/95/03/1322319503.db2.gz OALJGRUGJNQDEF-UHFFFAOYSA-N -1 0 348.468 3.114 20 30 EGEDRM C=CCC1(C(=O)[N-]S(=O)(=O)Cc2cc(F)ccc2Cl)CCC1 ZINC000851168896 1322343774 /nfs/dbraw/zinc/34/37/74/1322343774.db2.gz PEZSTKFFWFYHQF-UHFFFAOYSA-N -1 0 345.823 3.172 20 30 EGEDRM C=CCCO[N-]C(=O)Cc1csc(COc2ccc(C)cc2)n1 ZINC000856029245 1325440935 /nfs/dbraw/zinc/44/09/35/1325440935.db2.gz FQZZURCHUGUTAN-UHFFFAOYSA-N -1 0 332.425 3.197 20 30 EGEDRM CC(=CC(=O)OCC([O-])=C(C#N)c1nc(C)cs1)c1cccs1 ZINC000856984848 1325551168 /nfs/dbraw/zinc/55/11/68/1325551168.db2.gz ZDUAABJBXQYHRJ-XTOZHPGHSA-N -1 0 346.433 3.336 20 30 EGEDRM Oc1ccc(C=NNCC(F)(F)C(F)(F)F)cc1Br ZINC000863179112 1329532145 /nfs/dbraw/zinc/53/21/45/1329532145.db2.gz CIMYVVHEPUTGQD-UHFFFAOYSA-N -1 0 347.081 3.276 20 30 EGEDRM CC(C)[C@H](C/N=C\c1cc(Cl)cc(Cl)c1[O-])N1CCOCC1 ZINC000863950681 1329591266 /nfs/dbraw/zinc/59/12/66/1329591266.db2.gz HQOOYPOCVQATRF-VRKJEAOJSA-N -1 0 345.270 3.475 20 30 EGEDRM CC(C)[C@@H](C/N=C\c1cc(Cl)cc(Cl)c1[O-])N1CCOCC1 ZINC000863950680 1329591271 /nfs/dbraw/zinc/59/12/71/1329591271.db2.gz HQOOYPOCVQATRF-HBFFOVPNSA-N -1 0 345.270 3.475 20 30 EGEDRM COc1ccc(/C=C\C(=O)c2cnn(C(C)C)c2C)cc1C(=O)[O-] ZINC000865222968 1329677343 /nfs/dbraw/zinc/67/73/43/1329677343.db2.gz CDPGAUNHBFEAQT-ALCCZGGFSA-N -1 0 328.368 3.375 20 30 EGEDRM N#Cc1cc(Nc2cnc(F)c(C(=O)[O-])c2)ccc1Br ZINC001215111590 1373171370 /nfs/dbraw/zinc/17/13/70/1373171370.db2.gz ZKNXEGGZTMMDSK-UHFFFAOYSA-N -1 0 336.120 3.297 20 30 EGEDRM Cc1[nH]c2ccc(C#N)cc2c1CC(=O)Nc1cc(C#N)c(F)cc1[O-] ZINC001183890214 1387368330 /nfs/dbraw/zinc/36/83/30/1387368330.db2.gz XSJGJDCXGNHREM-UHFFFAOYSA-N -1 0 348.337 3.246 20 30 EGEDRM CN(Cc1ncccc1C(F)(F)F)C(=O)CCC(=O)C1=CC=C[CH]1 ZINC001184243987 1387418760 /nfs/dbraw/zinc/41/87/60/1387418760.db2.gz GBXKUZUQJIETBA-UHFFFAOYSA-N -1 0 337.321 3.109 20 30 EGEDRM Cc1sc([N-]S(=O)(=O)Cc2ccc(F)cc2F)c(C#N)c1C ZINC001189780919 1367107515 /nfs/dbraw/zinc/10/75/15/1367107515.db2.gz RYXLHKQOQSUWAA-UHFFFAOYSA-N -1 0 342.392 3.457 20 30 EGEDRM Cc1nc(-c2cccnc2)sc1C(=O)Nc1ccc(C#N)cc1O ZINC001190182485 1367193896 /nfs/dbraw/zinc/19/38/96/1367193896.db2.gz ADMUZRXLBDZLSV-UHFFFAOYSA-N -1 0 336.376 3.343 20 30 EGEDRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2onc(C)c2C#N)cc1 ZINC001190423456 1367261860 /nfs/dbraw/zinc/26/18/60/1367261860.db2.gz YTRGYUCQDHRBKO-UHFFFAOYSA-N -1 0 333.413 3.343 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cccc(OC(F)F)c2)c1 ZINC001190647943 1367315556 /nfs/dbraw/zinc/31/55/56/1367315556.db2.gz NNPLCZSBYMZLMZ-UHFFFAOYSA-N -1 0 342.298 3.100 20 30 EGEDRM CC(C)(C#N)c1cccc([N-]S(=O)(=O)c2cc(C#N)ccc2F)c1 ZINC001190647965 1367315817 /nfs/dbraw/zinc/31/58/17/1367315817.db2.gz OOPUFMUWRNQMRQ-UHFFFAOYSA-N -1 0 343.383 3.299 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)NC2(c3ccccc3)CCCC2)c1 ZINC001190661566 1367321131 /nfs/dbraw/zinc/32/11/31/1367321131.db2.gz YZEKKLGKSVGKJF-UHFFFAOYSA-N -1 0 344.411 3.445 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)N[C@@H]2CCC[C@H]2c2ccccc2)c1 ZINC001190677677 1367326993 /nfs/dbraw/zinc/32/69/93/1367326993.db2.gz VEGXJPLTHJKARU-DOTOQJQBSA-N -1 0 344.411 3.312 20 30 EGEDRM C=CCC1(S(=O)(=O)Nc2c(Cl)c(F)[n-]c(=O)c2Cl)CC1 ZINC001190773143 1367346252 /nfs/dbraw/zinc/34/62/52/1367346252.db2.gz VHBITBCGXQYRNQ-UHFFFAOYSA-N -1 0 341.191 3.084 20 30 EGEDRM CC(=O)c1sccc1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC001190938965 1367386784 /nfs/dbraw/zinc/38/67/84/1367386784.db2.gz IGJXNENLPRVDHD-UHFFFAOYSA-N -1 0 340.813 3.277 20 30 EGEDRM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1cnc(C#N)c(C)c1 ZINC001191662122 1367556512 /nfs/dbraw/zinc/55/65/12/1367556512.db2.gz NPTMYJTWBUVUNQ-UHFFFAOYSA-N -1 0 345.424 3.195 20 30 EGEDRM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1ccc(O)cc1C#N ZINC001191698459 1367564069 /nfs/dbraw/zinc/56/40/69/1367564069.db2.gz LIZHLKSKSHDKSH-UHFFFAOYSA-N -1 0 346.408 3.197 20 30 EGEDRM Cc1cc(C#N)c(F)cc1[N-]S(=O)(=O)c1cnc(Cl)cc1C ZINC001192359454 1367763313 /nfs/dbraw/zinc/76/33/13/1367763313.db2.gz CZUJHVDZRCXDFM-UHFFFAOYSA-N -1 0 339.779 3.163 20 30 EGEDRM Cc1ccc(C)c([N-]S(=O)(=O)c2cnc(Cl)c(C)c2)c1C#N ZINC001192579158 1367823905 /nfs/dbraw/zinc/82/39/05/1367823905.db2.gz DKAHALJXOFNUNT-UHFFFAOYSA-N -1 0 335.816 3.333 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2ccc(F)c(Br)c2[O-])o1 ZINC001192683353 1367849722 /nfs/dbraw/zinc/84/97/22/1367849722.db2.gz QKCFHDQYPMMPRS-UHFFFAOYSA-N -1 0 325.093 3.011 20 30 EGEDRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2c(C)cccc2C#N)c1 ZINC001192820599 1367882189 /nfs/dbraw/zinc/88/21/89/1367882189.db2.gz AGZFEMRBDZQALO-UHFFFAOYSA-N -1 0 330.409 3.239 20 30 EGEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1ccccc1C(=O)c1ccc(Cl)cc1 ZINC001193149476 1367953893 /nfs/dbraw/zinc/95/38/93/1367953893.db2.gz OUJJWPVFFABGOZ-NSHDSACASA-N -1 0 348.811 3.225 20 30 EGEDRM Cc1c(F)cc(OCc2ccccc2)cc1[N-]S(=O)(=O)[C@@H](C)C#N ZINC001193149492 1367954120 /nfs/dbraw/zinc/95/41/20/1367954120.db2.gz OYPVZZUYEPPJDN-LBPRGKRZSA-N -1 0 348.399 3.367 20 30 EGEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1cc(OCc2ccccc2)ccc1F ZINC001193157120 1367956118 /nfs/dbraw/zinc/95/61/18/1367956118.db2.gz AWOPJXBSQCHHAE-LBPRGKRZSA-N -1 0 334.372 3.058 20 30 EGEDRM COC(=O)Nc1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1F ZINC001193912660 1368145702 /nfs/dbraw/zinc/14/57/02/1368145702.db2.gz GMBRNXAVKMYNDI-UHFFFAOYSA-N -1 0 335.175 3.316 20 30 EGEDRM C=C(C)c1ccccc1[N-]S(=O)(=O)c1cccc2nccnc21 ZINC001194979048 1368356690 /nfs/dbraw/zinc/35/66/90/1368356690.db2.gz WLWVSKKSFDHJEL-UHFFFAOYSA-N -1 0 325.393 3.464 20 30 EGEDRM Cc1cnc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)c(Cl)c1 ZINC001196650760 1368656333 /nfs/dbraw/zinc/65/63/33/1368656333.db2.gz ZIMMLVQDSJDZJK-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM COc1cc(C)c(S(=O)(=O)[N-]c2sc(C)cc2C#N)c(C)c1 ZINC001196845296 1368696918 /nfs/dbraw/zinc/69/69/18/1368696918.db2.gz CPRFXOCRSVUTHV-UHFFFAOYSA-N -1 0 336.438 3.354 20 30 EGEDRM COc1cc(NC(=S)Nc2ccc(C(=O)[O-])cc2)ccc1C#N ZINC001197112177 1368746533 /nfs/dbraw/zinc/74/65/33/1368746533.db2.gz OHWAPRIBMQABLS-UHFFFAOYSA-N -1 0 327.365 3.074 20 30 EGEDRM N#Cc1cc(CNC(=S)Nc2ccc(C(=O)[O-])cc2)ccc1Cl ZINC001197146625 1368754637 /nfs/dbraw/zinc/75/46/37/1368754637.db2.gz IGZUMGUELYQSRA-UHFFFAOYSA-N -1 0 345.811 3.396 20 30 EGEDRM N#Cc1c(NC(=O)c2cc(F)c(F)c([O-])c2F)sc2c1CCC2 ZINC001186766196 1388005815 /nfs/dbraw/zinc/00/58/15/1388005815.db2.gz DTKDISNALLZVBG-UHFFFAOYSA-N -1 0 338.310 3.484 20 30 EGEDRM CCCCCCCCCCS(=O)(=O)[N-]c1ncn(C)c1C#N ZINC001201834321 1369630620 /nfs/dbraw/zinc/63/06/20/1369630620.db2.gz NDZIKAVKOAEFQP-UHFFFAOYSA-N -1 0 326.466 3.174 20 30 EGEDRM Cc1nsc([N-]S(=O)(=O)c2cc3c(s2)CCCC3)c1C#N ZINC001187173774 1388064172 /nfs/dbraw/zinc/06/41/72/1388064172.db2.gz KBSTXSOPQRXORN-UHFFFAOYSA-N -1 0 339.467 3.064 20 30 EGEDRM COc1c(F)cc(-c2noc(CCC(=O)C3=CC=C[CH]3)n2)cc1F ZINC001204656310 1370538077 /nfs/dbraw/zinc/53/80/77/1370538077.db2.gz JYIXJBUGEXUZEF-UHFFFAOYSA-N -1 0 331.298 3.226 20 30 EGEDRM C=CC[C@H](NC(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC001116906156 1370998006 /nfs/dbraw/zinc/99/80/06/1370998006.db2.gz GEVPJBZIIQNPRX-AVGNSLFASA-N -1 0 328.195 3.242 20 30 EGEDRM COc1c(C([O-])=C(C#N)c2nc(C)cs2)cnn1-c1ccccc1 ZINC001122090568 1372172833 /nfs/dbraw/zinc/17/28/33/1372172833.db2.gz MKSNPKOPOHMERI-CYBMUJFWSA-N -1 0 338.392 3.136 20 30 EGEDRM N#Cc1ccc(-c2ccccc2[N-]S(=O)(=O)c2nccs2)cc1 ZINC001187899603 1388186572 /nfs/dbraw/zinc/18/65/72/1388186572.db2.gz POBNERLLVYZTJF-UHFFFAOYSA-N -1 0 341.417 3.483 20 30 EGEDRM C=CCC[C@@H]1CCCN1c1nnc(-c2c[nH]oc2=O)n1CC(=C)C ZINC001122585971 1372278781 /nfs/dbraw/zinc/27/87/81/1372278781.db2.gz GSEZTMUSHKNYHY-CYBMUJFWSA-N -1 0 329.404 3.150 20 30 EGEDRM CC1(C)CC(=O)C=C(Nc2ccc(Cl)cc2S(=O)(=O)[O-])C1 ZINC001210153198 1372282705 /nfs/dbraw/zinc/28/27/05/1372282705.db2.gz KNAJFBJXUUYMAA-UHFFFAOYSA-N -1 0 329.805 3.272 20 30 EGEDRM CC(C)CC(C)(C)C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC001210542409 1372374010 /nfs/dbraw/zinc/37/40/10/1372374010.db2.gz WVORTUCYIDJFRL-UHFFFAOYSA-N -1 0 330.400 3.187 20 30 EGEDRM Cc1cc(Nc2ccc(C#N)nc2Br)ccc1C(=O)[O-] ZINC001211650069 1372595675 /nfs/dbraw/zinc/59/56/75/1372595675.db2.gz NQYOYYLFDKLOFG-UHFFFAOYSA-N -1 0 332.157 3.466 20 30 EGEDRM CCCCCCCCS(=O)(=O)[N-]c1ccccc1C(=O)NC ZINC001188012546 1388213043 /nfs/dbraw/zinc/21/30/43/1388213043.db2.gz BCEOEGIHSNVUIO-UHFFFAOYSA-N -1 0 326.462 3.148 20 30 EGEDRM CCCCCCCCS(=O)(=O)[N-]c1cccc2c1C(=O)OC2 ZINC001188018209 1388216445 /nfs/dbraw/zinc/21/64/45/1388216445.db2.gz ZBJMYFDBRYHWQJ-UHFFFAOYSA-N -1 0 325.430 3.459 20 30 EGEDRM N#Cc1cc(F)cc(F)c1Nc1ccc(NC(=O)CCC(=O)[O-])cc1 ZINC001213196818 1372857618 /nfs/dbraw/zinc/85/76/18/1372857618.db2.gz SYVAZXJRZGLIIG-UHFFFAOYSA-N -1 0 345.305 3.383 20 30 EGEDRM COc1cc(F)c(-c2noc(-c3ccc([O-])c(C#N)c3)n2)cc1F ZINC001216969982 1373372909 /nfs/dbraw/zinc/37/29/09/1373372909.db2.gz WCKDJMCZXPBYDT-UHFFFAOYSA-N -1 0 329.262 3.268 20 30 EGEDRM N#Cc1cccc(-c2nc(-c3ccc4c(c3)C(=O)CCC4)no2)c1[O-] ZINC001216979840 1373374707 /nfs/dbraw/zinc/37/47/07/1373374707.db2.gz KJRAZOWLKKUFMD-UHFFFAOYSA-N -1 0 331.331 3.500 20 30 EGEDRM COc1ccc2c(c1)[n-]c(-c1nc(-c3cccc(C#N)c3)no1)cc2=O ZINC001217462578 1373447311 /nfs/dbraw/zinc/44/73/11/1373447311.db2.gz CHECJKZABNQSNF-UHFFFAOYSA-N -1 0 344.330 3.125 20 30 EGEDRM N#Cc1cc(F)cc(-c2noc(-c3csc4c3[n-]cnc4=O)n2)c1 ZINC001217592879 1373469527 /nfs/dbraw/zinc/46/95/27/1373469527.db2.gz QIXJGJCYEPMPIC-UHFFFAOYSA-N -1 0 339.311 3.125 20 30 EGEDRM COC(=O)c1ccc(-c2c(F)cc(C(=O)[O-])cc2F)cc1CC#N ZINC001222412482 1373841524 /nfs/dbraw/zinc/84/15/24/1373841524.db2.gz LCJHHWDCIXPKMB-UHFFFAOYSA-N -1 0 331.274 3.183 20 30 EGEDRM C=C[C@]1(C)CC[C@@H](Oc2[nH]c(=O)ncc2C(F)(F)F)C(C)(C)O1 ZINC001225576847 1375126337 /nfs/dbraw/zinc/12/63/37/1375126337.db2.gz NOXATGVOSUVYPY-QMTHXVAHSA-N -1 0 332.322 3.482 20 30 EGEDRM COc1ccc(OC(C)C)c(COc2[n-]c(=O)c(F)cc2C#N)c1 ZINC001226008692 1375190076 /nfs/dbraw/zinc/19/00/76/1375190076.db2.gz LXDGMUNGQHCHRN-UHFFFAOYSA-N -1 0 332.331 3.173 20 30 EGEDRM C=CC[C@H](NC(=O)[C@H](C)Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001327013008 1388364952 /nfs/dbraw/zinc/36/49/52/1388364952.db2.gz HEPSFEFICNMNTM-MFKMUULPSA-N -1 0 329.318 3.030 20 30 EGEDRM O=C1C=C[C@@H](Oc2cc([O-])cc3oc(-c4ccccc4)cc(=O)c23)C1 ZINC001226499339 1375269436 /nfs/dbraw/zinc/26/94/36/1375269436.db2.gz OIYULLUHXJWWKH-OAHLLOKOSA-N -1 0 334.327 3.442 20 30 EGEDRM C[C@@H](Oc1c(Cl)cc(S(=O)(=O)[O-])cc1Cl)[C@H](C)S ZINC001227634916 1375457301 /nfs/dbraw/zinc/45/73/01/1375457301.db2.gz HFTFWIJKZRIBPJ-RITPCOANSA-N -1 0 331.242 3.326 20 30 EGEDRM C=C[C@@H](CCC)Oc1c([O-])c(C(=O)OCC)oc1C(=O)OCC ZINC001227636434 1375457317 /nfs/dbraw/zinc/45/73/17/1375457317.db2.gz ABTMYKITIPHSAI-JTQLQIEISA-N -1 0 326.345 3.072 20 30 EGEDRM C=CC[C@H](Oc1c([O-])c(C(=O)OCC)oc1C(=O)OCC)C(C)C ZINC001227638792 1375458151 /nfs/dbraw/zinc/45/81/51/1375458151.db2.gz ZZWDOFVXHSJSDQ-NSHDSACASA-N -1 0 340.372 3.318 20 30 EGEDRM C=C[C@]1(C)CC[C@@H](C(C)(C)Oc2nc(C3CC3)[n-]c(=O)c2[N+](=O)[O-])O1 ZINC001228604962 1375614078 /nfs/dbraw/zinc/61/40/78/1375614078.db2.gz ZEOGBDVOVBYGPC-APPDUMDISA-N -1 0 349.387 3.249 20 30 EGEDRM N#Cc1ccc(N2CCN(Cc3c([O-])cc(F)cc3F)CC2)c(F)c1 ZINC001140584142 1378090494 /nfs/dbraw/zinc/09/04/94/1378090494.db2.gz FWTGOWQRYXHZQM-UHFFFAOYSA-N -1 0 347.340 3.003 20 30 EGEDRM CC[C@@H](C(=O)Nc1nc(C#N)c(C#N)[n-]1)c1cccc(C(F)(F)F)c1 ZINC001143815431 1378649444 /nfs/dbraw/zinc/64/94/44/1378649444.db2.gz VZTJQOHLYYBIQL-LLVKDONJSA-N -1 0 347.300 3.304 20 30 EGEDRM Cc1[nH]c(NC(=O)c2cc(=O)c3cc(Cl)ccc3[n-]2)c(C#N)c1C ZINC001153900324 1380152487 /nfs/dbraw/zinc/15/24/87/1380152487.db2.gz YINRZJWKDMTORH-UHFFFAOYSA-N -1 0 340.770 3.250 20 30 EGEDRM Cc1nc2c(cccc2NC(=O)c2cc(=O)c3cc(C#N)ccc3[n-]2)o1 ZINC001154555591 1380304698 /nfs/dbraw/zinc/30/46/98/1380304698.db2.gz GKCDGPMIXDGGIB-UHFFFAOYSA-N -1 0 344.330 3.102 20 30 EGEDRM COc1cc(C(=O)Nc2cc(C#N)c(F)cc2[O-])cc2[nH]ccc21 ZINC001154821193 1380358765 /nfs/dbraw/zinc/35/87/65/1380358765.db2.gz BQLSFXSEOLGTMG-UHFFFAOYSA-N -1 0 325.299 3.145 20 30 EGEDRM CCSc1cc(Cl)ccc1C(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC001163738330 1383116683 /nfs/dbraw/zinc/11/66/83/1383116683.db2.gz SBGYXLXQCHQZNG-UHFFFAOYSA-N -1 0 331.788 3.171 20 30 EGEDRM N#CCCc1ccc(NC2([P@](=O)([O-])O)Cc3ccccc3C2)cc1 ZINC001167936730 1383772666 /nfs/dbraw/zinc/77/26/66/1383772666.db2.gz NLXWSIKXMXBIHM-UHFFFAOYSA-N -1 0 342.335 3.227 20 30 EGEDRM COC(=O)c1cc(C#N)cc(C)c1Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC001176597565 1385636542 /nfs/dbraw/zinc/63/65/42/1385636542.db2.gz LEHVPGTVPJPBJV-VMPITWQZSA-N -1 0 336.347 3.495 20 30 EGEDRM C=CC[C@@H](NC(=O)NCC1(Sc2ccccc2)CCCC1)C(=O)[O-] ZINC001321111795 1386813008 /nfs/dbraw/zinc/81/30/08/1386813008.db2.gz UFSRANRNCRPYOB-OAHLLOKOSA-N -1 0 348.468 3.420 20 30 EGEDRM C=CC[C@@H](NC(=O)c1cn(Cc2ccccc2)c2ccccc12)C(=O)[O-] ZINC001321167539 1386827805 /nfs/dbraw/zinc/82/78/05/1386827805.db2.gz XURDZUUDPICRFR-GOSISDBHSA-N -1 0 348.402 3.449 20 30 EGEDRM N#Cc1cc(NC(=O)COc2ccc(F)c(Cl)c2)c([O-])cc1F ZINC001180564802 1386837059 /nfs/dbraw/zinc/83/70/59/1386837059.db2.gz LNKSIHUZYWLJAW-UHFFFAOYSA-N -1 0 338.697 3.213 20 30 EGEDRM FC(F)(F)c1n[n-]c(=S)n1N=Cc1ccc(N2CCCC2)cc1 ZINC001321645518 1386948058 /nfs/dbraw/zinc/94/80/58/1386948058.db2.gz BBVJCHQPZCDQCJ-UHFFFAOYSA-N -1 0 341.362 3.068 20 30 EGEDRM C=CC[C@@H](NC(=O)c1cc(C)n(-c2cccc(C)c2)c1C)C(=O)[O-] ZINC001321657100 1386951041 /nfs/dbraw/zinc/95/10/41/1386951041.db2.gz CZGLYPPULDLJEO-QGZVFWFLSA-N -1 0 326.396 3.162 20 30 EGEDRM C=CC[C@@H](NC(=O)c1ccc(COc2ccc(C)cc2C)o1)C(=O)[O-] ZINC001322602579 1387212152 /nfs/dbraw/zinc/21/21/52/1387212152.db2.gz WQROCHXHOATGLY-OAHLLOKOSA-N -1 0 343.379 3.235 20 30 EGEDRM C=C(C)Cn1c(-c2c[n-]n(CC)c2=O)nnc1N1CC[C@@](C)(CC)C1 ZINC001342247521 1390590870 /nfs/dbraw/zinc/59/08/70/1390590870.db2.gz JRJZSDBPHOJTHX-GOSISDBHSA-N -1 0 344.463 3.070 20 30 EGEDRM C=C(C)Cn1c(-c2c[n-]n(CC)c2=O)nnc1N1CCC[C@@H]1CCC ZINC001342257705 1390592200 /nfs/dbraw/zinc/59/22/00/1390592200.db2.gz LPOYXMMFHYNBGP-AWEZNQCLSA-N -1 0 344.463 3.212 20 30 EGEDRM C=C(C)Cn1c(-c2c[n-]n(CC)c2=O)nnc1N(CCC)CCC ZINC001343006875 1390683114 /nfs/dbraw/zinc/68/31/14/1390683114.db2.gz HNBMQZXRSSZRQT-UHFFFAOYSA-N -1 0 332.452 3.070 20 30 EGEDRM C=C(C)Cn1c(-c2c[n-]n(CC)c2=O)nnc1N1C[C@@H](C)C[C@@H]1CC ZINC001346670731 1390968477 /nfs/dbraw/zinc/96/84/77/1390968477.db2.gz NXXFZUJEPIZGSK-KBPBESRZSA-N -1 0 344.463 3.068 20 30 EGEDRM C=C[C@@H](CC(=O)Oc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000823883677 1429008157 /nfs/dbraw/zinc/00/81/57/1429008157.db2.gz XHFMUOLDSMGUSS-LBPRGKRZSA-N -1 0 338.342 3.271 20 30 EGEDRM N#Cc1ccc(F)c(CNc2cc(Cl)ccc2-c2nn[n-]n2)c1 ZINC000822829930 1425155294 /nfs/dbraw/zinc/15/52/94/1425155294.db2.gz QAVYKAJCVCEDOD-UHFFFAOYSA-N -1 0 328.738 3.143 20 30 EGEDRM Clc1cccc(NN=Cc2c[nH]c3ccc(-c4nn[n-]n4)cc23)c1 ZINC000822585510 1427299726 /nfs/dbraw/zinc/29/97/26/1427299726.db2.gz BLUSFQWHGXJHRZ-UHFFFAOYSA-N -1 0 337.774 3.447 20 30 EGEDRM C#CCOc1ccccc1CNc1c(Cl)cccc1-c1nn[n-]n1 ZINC000819709632 1428192841 /nfs/dbraw/zinc/19/28/41/1428192841.db2.gz NFEHPDPZQHFAGY-UHFFFAOYSA-N -1 0 339.786 3.144 20 30 EGEDRM O=C1c2cc(Cl)ccc2OCC1=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826475473 1429938544 /nfs/dbraw/zinc/93/85/44/1429938544.db2.gz GXVHBUMDEWWJJS-GHXNOFRVSA-N -1 0 338.754 3.179 20 30 EGEDRM COc1ccc(C=CC(=O)c2ccccc2Cl)cc1-c1nn[n-]n1 ZINC000737082077 1430107689 /nfs/dbraw/zinc/10/76/89/1430107689.db2.gz UCEFOEZZXNNUSA-SOFGYWHQSA-N -1 0 340.770 3.425 20 30 EGEDRM N#Cc1cc(F)ccc1CN(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737703248 1441727830 /nfs/dbraw/zinc/72/78/30/1441727830.db2.gz AVMYJWTUUKOJBU-UHFFFAOYSA-N -1 0 348.385 3.042 20 30 EGEDRM Cc1nc(-c2nn[n-]n2)c(N=NC2CC(c3ccc(Cl)cc3)C2)o1 ZINC000826322972 1442146013 /nfs/dbraw/zinc/14/60/13/1442146013.db2.gz JVSPVOPXOUFMAZ-UHFFFAOYSA-N -1 0 343.778 3.162 20 30 EGEDRM CCO[C@@H]1CC(N=Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1(C)C ZINC000825576123 1442333398 /nfs/dbraw/zinc/33/33/98/1442333398.db2.gz CNIALUMVDHTDHN-CYBMUJFWSA-N -1 0 334.811 3.123 20 30 EGEDRM CCOc1ccc(O)c(C=N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000821422031 1443212615 /nfs/dbraw/zinc/21/26/15/1443212615.db2.gz KHKKAZSBAABCDF-XHEYCZLTSA-N -1 0 337.383 3.151 20 30 EGEDRM CCCCCCCCNC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000825271820 1443315705 /nfs/dbraw/zinc/31/57/05/1443315705.db2.gz OQIMBJQIRYJVMI-UHFFFAOYSA-N -1 0 348.426 3.166 20 30 EGEDRM N#CCOc1ccc(CNc2ccc(Cl)cc2-c2nn[n-]n2)cc1 ZINC000737697191 1443809858 /nfs/dbraw/zinc/80/98/58/1443809858.db2.gz DLCPDVHDGDJAKR-UHFFFAOYSA-N -1 0 340.774 3.035 20 30 EGEDRM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1cc2c(s1)CCC2 ZINC000822921997 1443976146 /nfs/dbraw/zinc/97/61/46/1443976146.db2.gz BQAIMJGZPXETKF-GQCTYLIASA-N -1 0 328.422 3.375 20 30 EGEDRM CC[C@@H](CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1ccccc1 ZINC000736334196 1443987624 /nfs/dbraw/zinc/98/76/24/1443987624.db2.gz UNVJWADELSJGLT-ZDUSSCGKSA-N -1 0 346.394 3.261 20 30 EGEDRM Clc1cc(-c2nn[n-]n2)cc(NN=Cc2cc3ccccc3o2)n1 ZINC000826350345 1446941688 /nfs/dbraw/zinc/94/16/88/1446941688.db2.gz RNCRWVVRYXNWMD-UHFFFAOYSA-N -1 0 339.746 3.107 20 30 EGEDRM CC(C)Oc1ccc(NCC(C)(C)CCC#N)cc1-c1nn[n-]n1 ZINC000824329974 1446949111 /nfs/dbraw/zinc/94/91/11/1446949111.db2.gz ZNVCSTKDNGQXDM-UHFFFAOYSA-N -1 0 328.420 3.396 20 30 EGEDRM N#Cc1ccc(NCc2ccc(-c3nn[n-]n3)cc2F)c(Cl)c1 ZINC000822833622 1446965746 /nfs/dbraw/zinc/96/57/46/1446965746.db2.gz SSCIWQWKHIJEQU-UHFFFAOYSA-N -1 0 328.738 3.143 20 30 EGEDRM Cc1c2c(nc(SCCCC(C)(C)C#N)c1-c1nn[n-]n1)CCC2 ZINC000822129568 1446975058 /nfs/dbraw/zinc/97/50/58/1446975058.db2.gz LUFXXAQBKDLLKL-UHFFFAOYSA-N -1 0 342.472 3.481 20 30 EGEDRM C=CCc1ccc(OCc2ccc(F)cc2-c2nn[n-]n2)c(OC)c1 ZINC000735442413 1447015984 /nfs/dbraw/zinc/01/59/84/1447015984.db2.gz ASPOGXQORMLEPY-UHFFFAOYSA-N -1 0 340.358 3.322 20 30 EGEDRM C#Cc1cccc(NC(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c1 ZINC000797736862 939199522 /nfs/dbraw/zinc/19/95/22/939199522.db2.gz ICRNFPMLDBWZCA-OAHLLOKOSA-N -1 0 346.745 3.408 20 30 EGEDRM C=C(C)CCC(=O)N[C@H](C(=O)[O-])c1ccccc1OC(F)(F)F ZINC001123389215 939824810 /nfs/dbraw/zinc/82/48/10/939824810.db2.gz NHPFWZAYOVSOGM-ZDUSSCGKSA-N -1 0 331.290 3.183 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)c1ccc(-c2cccc3cccnc32)cc1 ZINC001602691799 971298433 /nfs/dbraw/zinc/29/84/33/971298433.db2.gz ZOXXCNAQMDOPRR-UHFFFAOYSA-N -1 0 344.370 3.062 20 30 EGEDRM C=C(C)c1cccc(NC(=O)NC[C@@H]2CCC3(CC(C(=O)[O-])C3)O2)c1 ZINC001602712359 971355067 /nfs/dbraw/zinc/35/50/67/971355067.db2.gz OGBLOVIVOGVYGU-RCDNUKIMSA-N -1 0 344.411 3.254 20 30 EGEDRM C=CCCC(C)(C)CNC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001602718975 971379792 /nfs/dbraw/zinc/37/97/92/971379792.db2.gz IFFRCOVYPVOTQM-INIZCTEOSA-N -1 0 330.428 3.372 20 30 EGEDRM CCN(C(=O)Cc1ccccc1C(=O)[O-])[C@@H](C)c1ccc(C#N)cc1 ZINC001589703675 950254569 /nfs/dbraw/zinc/25/45/69/950254569.db2.gz LOFZPHMJEJPDFH-AWEZNQCLSA-N -1 0 336.391 3.409 20 30 EGEDRM C=CC(C)(C)CNS(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC000384916035 971967115 /nfs/dbraw/zinc/96/71/15/971967115.db2.gz FJXQEACQJXVYJS-UHFFFAOYSA-N -1 0 339.438 3.090 20 30 EGEDRM CC(C)(C)CN(CC(=O)[O-])c1ccc(C#N)c(Br)c1 ZINC000692096705 954693246 /nfs/dbraw/zinc/69/32/46/954693246.db2.gz ZVQZAKOHILCQGG-UHFFFAOYSA-N -1 0 325.206 3.258 20 30 EGEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CC[C@H](C(=O)[O-])c2ccccc21 ZINC001589079916 955845546 /nfs/dbraw/zinc/84/55/46/955845546.db2.gz ZODSHLUHMLNCQD-KDOFPFPSSA-N -1 0 348.402 3.342 20 30 EGEDRM N#Cc1ccc(OC(F)F)c(NC(=O)Cc2ccccc2C(=O)[O-])c1 ZINC001594624037 956300907 /nfs/dbraw/zinc/30/09/07/956300907.db2.gz OMQZNTFUTVXGNO-UHFFFAOYSA-N -1 0 346.289 3.039 20 30 EGEDRM N#Cc1ccc(CC(=O)N2C[C@@H](CCC(=O)[O-])Cc3ccccc32)cc1 ZINC000902830900 956820175 /nfs/dbraw/zinc/82/01/75/956820175.db2.gz SZVFDMQYHVOMOL-KRWDZBQOSA-N -1 0 348.402 3.171 20 30 EGEDRM Cc1cc(C#N)cc(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC001594273920 957697909 /nfs/dbraw/zinc/69/79/09/957697909.db2.gz HKRXFNOCAIIBKC-SJORKVTESA-N -1 0 335.363 3.301 20 30 EGEDRM C#C[C@@H](NC(=O)Nc1cccc(CC(=O)[O-])c1)c1ccc(Cl)cc1 ZINC001588385817 957973849 /nfs/dbraw/zinc/97/38/49/957973849.db2.gz JRMCPVLJWPEOMF-MRXNPFEDSA-N -1 0 342.782 3.463 20 30 EGEDRM C#CCCOc1ccc(C(=O)N2CCCc3cc(C(=O)[O-])ccc32)cc1 ZINC001588396501 958049999 /nfs/dbraw/zinc/04/99/99/958049999.db2.gz TUSLJKCFKXMWHP-UHFFFAOYSA-N -1 0 349.386 3.380 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)N[C@@H](CC1CCCCC1)c1ccccc1 ZINC001588409752 958131333 /nfs/dbraw/zinc/13/13/33/958131333.db2.gz JDLLJOZHTWPHAQ-SFHVURJKSA-N -1 0 342.439 3.428 20 30 EGEDRM Cc1ccc(CCC2CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC2)cc1 ZINC001594355588 958414572 /nfs/dbraw/zinc/41/45/72/958414572.db2.gz LHOSVMRQAQLZJS-HXUWFJFHSA-N -1 0 342.439 3.171 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)C1(c2ccc(Cl)cc2)CCCCC1 ZINC001573317588 958452660 /nfs/dbraw/zinc/45/26/60/958452660.db2.gz DEPQXPLIRCROJJ-UHFFFAOYSA-N -1 0 333.815 3.088 20 30 EGEDRM C=CCCOCCCCC(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001588460477 958476139 /nfs/dbraw/zinc/47/61/39/958476139.db2.gz KDTGDDITNCXOEO-DLBZAZTESA-N -1 0 331.412 3.179 20 30 EGEDRM C=CCCC(=O)Nc1ccc(COC(=O)[C@H](C(=O)[O-])C(C)(C)C)cc1 ZINC001573328427 958499434 /nfs/dbraw/zinc/49/94/34/958499434.db2.gz HXFOIFPRFTVZTD-INIZCTEOSA-N -1 0 347.411 3.381 20 30 EGEDRM C=CCOc1cc(OC)ccc1C(=O)OCc1ccc(C(=O)[O-])cc1 ZINC001588466342 958509670 /nfs/dbraw/zinc/50/96/70/958509670.db2.gz KWMCEYMJGBRNCQ-UHFFFAOYSA-N -1 0 342.347 3.315 20 30 EGEDRM C=CCOc1ccc(CC(=O)N[C@H](C(=O)[O-])c2cccc(C)c2)cc1 ZINC001573337015 958521372 /nfs/dbraw/zinc/52/13/72/958521372.db2.gz JDMJOQRVUKCPSB-IBGZPJMESA-N -1 0 339.391 3.044 20 30 EGEDRM CC(C)(C)CC[C@H](NC(=O)CSc1ccc(C#N)cc1)C(=O)[O-] ZINC001573394233 958709408 /nfs/dbraw/zinc/70/94/08/958709408.db2.gz BSTBBSATFVUXKW-AWEZNQCLSA-N -1 0 334.441 3.046 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NCC1(c2ccc(Cl)cc2)CCCC1 ZINC001588558586 959089845 /nfs/dbraw/zinc/08/98/45/959089845.db2.gz YYZPZKJVDSZEGE-KRWDZBQOSA-N -1 0 348.830 3.273 20 30 EGEDRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 ZINC001588630950 959607551 /nfs/dbraw/zinc/60/75/51/959607551.db2.gz STHDPXZBFHGTDD-JOYOIKCWSA-N -1 0 334.372 3.359 20 30 EGEDRM CC(C)(C)[C@H](C(=O)[O-])C(=O)Nc1cccc(C#N)c1Br ZINC001588633301 959628489 /nfs/dbraw/zinc/62/84/89/959628489.db2.gz HGKWQCDAXPWNGQ-JTQLQIEISA-N -1 0 339.189 3.006 20 30 EGEDRM CCOc1ccc(C(=O)/C=C\c2ccc(OCC(=O)[O-])cc2)cc1 ZINC000208126100 959667753 /nfs/dbraw/zinc/66/77/53/959667753.db2.gz DUDGXIZYTSCANP-XGICHPGQSA-N -1 0 326.348 3.445 20 30 EGEDRM CC(C)(C)CN(CCC#N)Cc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1 ZINC001588656775 960413731 /nfs/dbraw/zinc/41/37/31/960413731.db2.gz BPDICSSPLIWHLG-HNNXBMFYSA-N -1 0 347.459 3.342 20 30 EGEDRM Cc1cc(C(=O)Nc2cccc(C(=O)[O-])c2)nn1-c1cccc(C#N)c1 ZINC001574316836 960797451 /nfs/dbraw/zinc/79/74/51/960797451.db2.gz ZBSXXUAFRPEVNM-UHFFFAOYSA-N -1 0 346.346 3.003 20 30 EGEDRM C=C(C)CCC(=O)N[C@H](C(=O)[O-])c1ccccc1Br ZINC001263631215 960884454 /nfs/dbraw/zinc/88/44/54/960884454.db2.gz KQBQPCXOQYZJHA-ZDUSSCGKSA-N -1 0 326.190 3.047 20 30 EGEDRM Cc1ccc(C)c(NC(=S)NN=Cc2ccc(C(=O)[O-])cc2)c1 ZINC000254309959 961320684 /nfs/dbraw/zinc/32/06/84/961320684.db2.gz HZUMSFLKLNXCLS-UHFFFAOYSA-N -1 0 327.409 3.322 20 30 EGEDRM N#Cc1ccc(NC(=O)[C@@H](C(=O)[O-])C2CCCC2)cc1C(F)(F)F ZINC001574487672 961687202 /nfs/dbraw/zinc/68/72/02/961687202.db2.gz DZIFCIBEOVFNKQ-ZDUSSCGKSA-N -1 0 340.301 3.407 20 30 EGEDRM N#Cc1cccc2[nH]cc(C(=O)Nc3cccc(CCC(=O)[O-])c3)c21 ZINC001574489842 961708963 /nfs/dbraw/zinc/70/89/63/961708963.db2.gz RBOJKDWRTCMNLR-UHFFFAOYSA-N -1 0 333.347 3.309 20 30 EGEDRM C#CC[C@H](NC(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2)C(=O)[O-] ZINC001573302750 962660665 /nfs/dbraw/zinc/66/06/65/962660665.db2.gz FASCSPVIDQSMNX-OLZOCXBDSA-N -1 0 333.453 3.105 20 30 EGEDRM C#CC[C@@H](NC(=O)NCc1ccc(C(=O)[O-])cc1F)c1ccccc1 ZINC001573302879 962664487 /nfs/dbraw/zinc/66/44/87/962664487.db2.gz RMSPWDAPGCKBPQ-QGZVFWFLSA-N -1 0 340.354 3.088 20 30 EGEDRM C#C[C@@H](NC(=O)Nc1cccc(C(=O)[O-])c1OC(C)C)C(C)(C)C ZINC001573303134 962672089 /nfs/dbraw/zinc/67/20/89/962672089.db2.gz VNKACOFHWNNXOK-CQSZACIVSA-N -1 0 332.400 3.341 20 30 EGEDRM C#CCOc1ccc(F)cc1NC(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001573311585 962707951 /nfs/dbraw/zinc/70/79/51/962707951.db2.gz CCEYDDXZYDSQSD-UHFFFAOYSA-N -1 0 327.311 3.097 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1cc(C)n(Cc2ccco2)c1C)C(=O)[O-] ZINC001354072919 962715584 /nfs/dbraw/zinc/71/55/84/962715584.db2.gz SXOVKMADFDAAOP-QGZVFWFLSA-N -1 0 344.411 3.286 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)c1csc(-c2ccccc2F)n1)C(=O)[O-] ZINC001573324193 962781413 /nfs/dbraw/zinc/78/14/13/962781413.db2.gz OLAVSNRRUDNGAH-GFCCVEGCSA-N -1 0 334.372 3.098 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)c1csc(-c2ccccc2C)n1)C(=O)[O-] ZINC001573324813 962790138 /nfs/dbraw/zinc/79/01/38/962790138.db2.gz YYJTWLCEPAUEIH-CYBMUJFWSA-N -1 0 330.409 3.268 20 30 EGEDRM C=C1CCC(CNC(=O)N2C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C2)CC1 ZINC001573343507 962905454 /nfs/dbraw/zinc/90/54/54/962905454.db2.gz FZHFBKAOJJZGBK-QWHCGFSZSA-N -1 0 348.365 3.027 20 30 EGEDRM C=CC(C)(C)CCCNS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC001573347919 962954277 /nfs/dbraw/zinc/95/42/77/962954277.db2.gz QEICZCSERLBJTG-UHFFFAOYSA-N -1 0 345.848 3.309 20 30 EGEDRM C=CC1(CC(=O)N2CCC[C@@](O)(C3(C(=O)[O-])CCC3)C2)CCCCC1 ZINC001573350606 962971364 /nfs/dbraw/zinc/97/13/64/962971364.db2.gz KQEZAVGPQUKSBK-FQEVSTJZSA-N -1 0 349.471 3.121 20 30 EGEDRM C=CC[C@@H](C(=O)NCc1ccc(Cl)c(C(=O)[O-])n1)c1ccccc1 ZINC001573351480 962977808 /nfs/dbraw/zinc/97/78/08/962977808.db2.gz UOPDARYGZFLFHG-CQSZACIVSA-N -1 0 344.798 3.409 20 30 EGEDRM N#Cc1ccc(CSCC(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC000096749556 967603774 /nfs/dbraw/zinc/60/37/74/967603774.db2.gz KHUJBZARCVYEBR-UHFFFAOYSA-N -1 0 326.377 3.128 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC001609692870 970450223 /nfs/dbraw/zinc/45/02/23/970450223.db2.gz ABOBJBYFPXCEDM-GFCCVEGCSA-N -1 0 334.681 3.302 20 30 EGEDRM Cc1c2cc(C#N)ccc2sc1C(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001605077315 972711342 /nfs/dbraw/zinc/71/13/42/972711342.db2.gz WRCRFCKIAQIIII-UHFFFAOYSA-N -1 0 337.360 3.427 20 30 EGEDRM CC(C)Oc1ccc(NC(=O)c2ccc(/C=C\C(=O)[O-])o2)cc1C#N ZINC001591788127 975967449 /nfs/dbraw/zinc/96/74/49/975967449.db2.gz NJXCELCWIZDROF-YVMONPNESA-N -1 0 340.335 3.289 20 30 EGEDRM COc1cc(NC(C)=O)ccc1C(C)=NNc1ccccc1C(=O)[O-] ZINC000747755634 978687342 /nfs/dbraw/zinc/68/73/42/978687342.db2.gz SFJBLAHBFGNUEB-UHFFFAOYSA-N -1 0 341.367 3.188 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1N=NC(C)c1ccc2c(c1)OCCO2 ZINC000756898904 978700519 /nfs/dbraw/zinc/70/05/19/978700519.db2.gz HEZAMBFSCMWDJD-UHFFFAOYSA-N -1 0 342.351 3.001 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1N=NCc1c[nH]c2ccc(C#N)cc12 ZINC000756899106 978700552 /nfs/dbraw/zinc/70/05/52/978700552.db2.gz QIAHUYQLWHVFPI-UHFFFAOYSA-N -1 0 334.335 3.192 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1N=NCc1cn2cc(Cl)ccc2n1 ZINC000756901701 978701572 /nfs/dbraw/zinc/70/15/72/978701572.db2.gz WYNSRHCXSUNZNA-UHFFFAOYSA-N -1 0 344.758 3.141 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1NN=Cc1cnc2ccc(Cl)cn12 ZINC000756901519 978701693 /nfs/dbraw/zinc/70/16/93/978701693.db2.gz TWAHQARWFKNREV-UHFFFAOYSA-N -1 0 344.758 3.141 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1NN=Cc1cnc([C@@H]2CCCO2)s1 ZINC000756905744 978702020 /nfs/dbraw/zinc/70/20/20/978702020.db2.gz HYCNLXDFKQKVJL-ZDUSSCGKSA-N -1 0 347.396 3.147 20 30 EGEDRM COc1ccc2[nH]cc(CN=Nc3ccc(C(=O)[O-])cc3OC)c2c1 ZINC000756905564 978702085 /nfs/dbraw/zinc/70/20/85/978702085.db2.gz DFFKZZCABHUHJS-UHFFFAOYSA-N -1 0 339.351 3.329 20 30 EGEDRM O=C([O-])Cn1cc(CN=Nc2cnnc3ccccc23)c2ccccc21 ZINC000799881120 978844687 /nfs/dbraw/zinc/84/46/87/978844687.db2.gz YRSXPRQHJGCGMZ-UHFFFAOYSA-N -1 0 345.362 3.115 20 30 EGEDRM O=C([O-])COc1ccc(/C=C/C(=O)c2cnn(C3CCCC3)c2)cc1 ZINC000799897062 978845423 /nfs/dbraw/zinc/84/54/23/978845423.db2.gz KFIODEZALDTMPU-JXMROGBWSA-N -1 0 340.379 3.358 20 30 EGEDRM C[C@@H]1C(N=Nc2ncnc3sc4c(c32)CCC4)CC[C@@H]1CC(=O)[O-] ZINC000814726102 978877680 /nfs/dbraw/zinc/87/76/80/978877680.db2.gz JTWUIISEBRYREO-VHSXEESVSA-N -1 0 344.440 3.469 20 30 EGEDRM O=C([O-])c1ccc(/C=C2/S/C(=N\C3CCCCC3)NC2=O)cc1F ZINC000849177100 979486828 /nfs/dbraw/zinc/48/68/28/979486828.db2.gz YSERMTDILVVOAV-NTEUORMPSA-N -1 0 348.399 3.417 20 30 EGEDRM C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000849239550 979490669 /nfs/dbraw/zinc/49/06/69/979490669.db2.gz UBOIMBRTBOGZCZ-ZDUSSCGKSA-N -1 0 345.399 3.086 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1N=NC[C@H]1CCN(c2ccccc2)C1 ZINC000853324723 979605586 /nfs/dbraw/zinc/60/55/86/979605586.db2.gz CUNCFHRXTITKCL-CQSZACIVSA-N -1 0 339.395 3.318 20 30 EGEDRM C[C@@H](Cc1ccc(NC(=O)C2(c3cccc(C#N)c3)CC2)cc1)C(=O)[O-] ZINC001592857440 979663930 /nfs/dbraw/zinc/66/39/30/979663930.db2.gz JFABGFRKRPUSEZ-AWEZNQCLSA-N -1 0 348.402 3.492 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)[C@H](F)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000864187756 979834872 /nfs/dbraw/zinc/83/48/72/979834872.db2.gz OCMKMVFIDWTVDU-VXGBXAGGSA-N -1 0 333.281 3.252 20 30 EGEDRM CC(=NNc1ccc(C(=O)[O-])c(F)c1)c1cnn(CC2CCC2)c1 ZINC000901249448 980260469 /nfs/dbraw/zinc/26/04/69/980260469.db2.gz XQKKOWSTVMBCJT-UHFFFAOYSA-N -1 0 330.363 3.357 20 30 EGEDRM CC[C@](NC(=O)c1ccc(C#N)s1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595265986 980279683 /nfs/dbraw/zinc/27/96/83/980279683.db2.gz OZUUKEVQPMNDIO-MRXNPFEDSA-N -1 0 348.811 3.393 20 30 EGEDRM C=C[C@H](C(=O)[O-])N1CCc2cc(Cl)cc(Br)c2C1 ZINC000903946133 981071613 /nfs/dbraw/zinc/07/16/13/981071613.db2.gz AKXIEGCCKYCOQM-GFCCVEGCSA-N -1 0 330.609 3.100 20 30 EGEDRM C=CC1(CC(=O)N2CC[C@](C(=O)[O-])(C(F)(F)F)C2)CCCCC1 ZINC000907670058 981206057 /nfs/dbraw/zinc/20/60/57/981206057.db2.gz VSVHNESAPIADPU-HNNXBMFYSA-N -1 0 333.350 3.379 20 30 EGEDRM C=CC1(CC(=O)N(CCC(=O)[O-])Cc2ccncc2)CCCCC1 ZINC000907842024 981230935 /nfs/dbraw/zinc/23/09/35/981230935.db2.gz QHVPVXVFMDVMSK-UHFFFAOYSA-N -1 0 330.428 3.412 20 30 EGEDRM C#CCC1(C(=O)N(C)Cc2ccc(OCC(=O)[O-])cc2)CCCCC1 ZINC000909509273 981517589 /nfs/dbraw/zinc/51/75/89/981517589.db2.gz KQGPZHZHJAWXLA-UHFFFAOYSA-N -1 0 343.423 3.082 20 30 EGEDRM C=CC[C@H](C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1)c1ccccc1 ZINC000909597824 981549062 /nfs/dbraw/zinc/54/90/62/981549062.db2.gz DTHARBWLWOYXKH-HNNXBMFYSA-N -1 0 327.384 3.001 20 30 EGEDRM C#CC[C@@H](NC(=O)C1(c2c(Cl)cccc2Cl)CCC1)C(=O)[O-] ZINC000910046123 981743900 /nfs/dbraw/zinc/74/39/00/981743900.db2.gz LTRXADQULKETNS-GFCCVEGCSA-N -1 0 340.206 3.008 20 30 EGEDRM CC[C@](C)(C#N)C(=O)N1CCC(Cc2ccccc2C(=O)[O-])CC1 ZINC001594778276 981774660 /nfs/dbraw/zinc/77/46/60/981774660.db2.gz NBHVKUNIIKPDHE-LJQANCHMSA-N -1 0 328.412 3.106 20 30 EGEDRM C=CCC[C@@H](NC(=O)CCCn1ccc(C(=O)[O-])n1)c1ccccc1 ZINC000910250445 981823837 /nfs/dbraw/zinc/82/38/37/981823837.db2.gz KNBXGRUQDITGEZ-MRXNPFEDSA-N -1 0 341.411 3.185 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1cc(C)n(-c2ccccn2)c1C)C(=O)[O-] ZINC000910914482 982161657 /nfs/dbraw/zinc/16/16/57/982161657.db2.gz HWDVWSSWPUYRDH-MRXNPFEDSA-N -1 0 341.411 3.028 20 30 EGEDRM CCCCCCCNC(=O)Nc1ccc2cnn(CC(=O)[O-])c2c1 ZINC001595704457 982275081 /nfs/dbraw/zinc/27/50/81/982275081.db2.gz OCSVLAKCXHDHJW-UHFFFAOYSA-N -1 0 332.404 3.213 20 30 EGEDRM CCCCCCC[C@H](C)CN1C(=O)[C@H]2C[C@H](C(=O)[O-])CCN2C1=O ZINC001595704930 982280892 /nfs/dbraw/zinc/28/08/92/982280892.db2.gz LNCJFCCJLITZNQ-RRFJBIMHSA-N -1 0 338.448 3.110 20 30 EGEDRM Cc1ccc(NC(=S)NN=Cc2ccc(C(=O)[O-])cc2)cc1C ZINC000915919457 982670921 /nfs/dbraw/zinc/67/09/21/982670921.db2.gz XYJVHVPSLSLEMH-UHFFFAOYSA-N -1 0 327.409 3.322 20 30 EGEDRM CC[C@@](C)(C#N)C(=O)Nc1cc(Br)cc(C(=O)[O-])c1C ZINC000923098045 982722553 /nfs/dbraw/zinc/72/25/53/982722553.db2.gz QBSUDRWTRHZLNV-AWEZNQCLSA-N -1 0 339.189 3.334 20 30 EGEDRM N#C[C@@]1(C(=O)NC[C@H](C(=O)[O-])C2CCCCC2)CC2CCC1CC2 ZINC000923098106 982722558 /nfs/dbraw/zinc/72/25/58/982722558.db2.gz FYOFMZZGTOEULJ-HOUAELIMSA-N -1 0 332.444 3.104 20 30 EGEDRM C#C[C@H](NC(=O)N1CCC[C@H]1c1nc(C(=O)[O-])c(C)s1)C(C)(C)C ZINC001588371951 983326593 /nfs/dbraw/zinc/32/65/93/983326593.db2.gz AQMPLNLOYOUVBT-RYUDHWBXSA-N -1 0 349.456 3.044 20 30 EGEDRM C#C[C@H](NC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-])C(C)(C)C ZINC001588372305 983329906 /nfs/dbraw/zinc/32/99/06/983329906.db2.gz HUAQRXFBIGUUGZ-GJZGRUSLSA-N -1 0 330.428 3.186 20 30 EGEDRM C#CCC(CC#C)C(=O)N[C@@H](CC(=O)[O-])c1ccc2ccccc2c1 ZINC001588389790 983388697 /nfs/dbraw/zinc/38/86/97/983388697.db2.gz AZIWWGLDOHQEFB-IBGZPJMESA-N -1 0 333.387 3.135 20 30 EGEDRM C#CC[C@@H](Cc1ccccc1)Nc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001588396239 983407909 /nfs/dbraw/zinc/40/79/09/983407909.db2.gz XBCREWMQTAVWEC-AWEZNQCLSA-N -1 0 339.351 3.043 20 30 EGEDRM C#CC[C@@H](NC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)c1ccccc1 ZINC001588407892 983429468 /nfs/dbraw/zinc/42/94/68/983429468.db2.gz QOWSEISIFXPFPH-MBOZVWFJSA-N -1 0 340.423 3.037 20 30 EGEDRM C#CCC1(OC(=O)c2cc(Br)cc(C(=O)[O-])c2)CCC1 ZINC001588430731 983464274 /nfs/dbraw/zinc/46/42/74/983464274.db2.gz DFRAUQQDPCKKAI-UHFFFAOYSA-N -1 0 337.169 3.250 20 30 EGEDRM C#Cc1ccccc1CC(=O)N1CCCCc2cc(C(=O)[O-])ccc21 ZINC001588524471 983575080 /nfs/dbraw/zinc/57/50/80/983575080.db2.gz LECPAIFYWICGJJ-UHFFFAOYSA-N -1 0 333.387 3.278 20 30 EGEDRM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC001588534937 983587376 /nfs/dbraw/zinc/58/73/76/983587376.db2.gz DCJZGDNFEQNPQC-LXZKKBNFSA-N -1 0 346.427 3.053 20 30 EGEDRM C=C(C)[C@@H](NC(=O)Nc1ccc(C(=O)[O-])nc1)c1ccc(F)c(F)c1 ZINC001588536482 983593983 /nfs/dbraw/zinc/59/39/83/983593983.db2.gz XQBHRWNSFUWOPV-OAHLLOKOSA-N -1 0 347.321 3.497 20 30 EGEDRM CCN(CC(=O)[O-])C(=O)c1ccccc1Sc1ccccc1C#N ZINC001596221510 983612571 /nfs/dbraw/zinc/61/25/71/983612571.db2.gz YRRJPBPDDLMZGS-UHFFFAOYSA-N -1 0 340.404 3.256 20 30 EGEDRM C=C(C)CN(Cc1ccccc1)C(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1 ZINC001588567481 983646864 /nfs/dbraw/zinc/64/68/64/983646864.db2.gz MGKHJBMCTUPPBZ-DLBZAZTESA-N -1 0 331.412 3.004 20 30 EGEDRM C=C(C)CNC(=S)Nc1cc(C(=O)[O-])c(Br)cc1C ZINC001588570009 983650709 /nfs/dbraw/zinc/65/07/09/983650709.db2.gz RLIDODITTWRYHX-UHFFFAOYSA-N -1 0 343.246 3.318 20 30 EGEDRM C=C(C)CNC(=O)Nc1cc(Br)cc(C(=O)[O-])c1C ZINC001588584720 983661959 /nfs/dbraw/zinc/66/19/59/983661959.db2.gz CXLHLNQZRCUSQD-UHFFFAOYSA-N -1 0 327.178 3.153 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N(C)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001588607264 983700719 /nfs/dbraw/zinc/70/07/19/983700719.db2.gz XMPJPRARTILWBR-JKSUJKDBSA-N -1 0 331.412 3.112 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N(CCC)[C@H](C)CC(=O)Nc1ccccc1 ZINC001588612649 983703676 /nfs/dbraw/zinc/70/36/76/983703676.db2.gz VAPUKIUCETYELW-OAHLLOKOSA-N -1 0 346.427 3.063 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)NC[C@@H](CC)Oc1ccccc1Cl ZINC001588623431 983728036 /nfs/dbraw/zinc/72/80/36/983728036.db2.gz PUFJCQZRKRKOHZ-GFCCVEGCSA-N -1 0 325.792 3.035 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 ZINC001588629517 983737750 /nfs/dbraw/zinc/73/77/50/983737750.db2.gz LRBGKUOVFKWQMG-UHFFFAOYSA-N -1 0 344.411 3.062 20 30 EGEDRM C=C1CCC(CNS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)CC1 ZINC001588650045 983771712 /nfs/dbraw/zinc/77/17/12/983771712.db2.gz UYWKAFHTZCOLJF-UHFFFAOYSA-N -1 0 337.441 3.026 20 30 EGEDRM C=CC(C)(C)CNC(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1 ZINC001588677154 983834150 /nfs/dbraw/zinc/83/41/50/983834150.db2.gz UNMRBFKXJJKZDZ-UHFFFAOYSA-N -1 0 345.443 3.183 20 30 EGEDRM C=C[C@@H](CC(=O)NC[C@@H](C(=O)[O-])c1ccc(F)cc1)c1ccccc1 ZINC001588690484 983874239 /nfs/dbraw/zinc/87/42/39/983874239.db2.gz AGWYMTQYGQPXLK-KBXCAEBGSA-N -1 0 341.382 3.470 20 30 EGEDRM C=C[C@H](OC(=O)c1cc(C2CC2)nc2onc(C(C)C)c21)C(=O)[O-] ZINC001588713415 983949178 /nfs/dbraw/zinc/94/91/78/983949178.db2.gz WESOUMQDFFJZHC-LBPRGKRZSA-N -1 0 330.340 3.020 20 30 EGEDRM C=C[C@@H](Sc1nccn1-c1ccc(Br)cc1)C(=O)[O-] ZINC001588715334 983955313 /nfs/dbraw/zinc/95/53/13/983955313.db2.gz WEDSDLYOOJWCER-LLVKDONJSA-N -1 0 339.214 3.366 20 30 EGEDRM C=CC[C@H](C(=O)[O-])N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC001588731611 984009835 /nfs/dbraw/zinc/00/98/35/984009835.db2.gz LJYGYCRDZGUZQC-CQSZACIVSA-N -1 0 349.228 3.318 20 30 EGEDRM C=CCC(C)(C)Cn1c(N2CC[C@H](C(=O)[O-])C2)nnc1C(C)(C)C ZINC001588736559 984025984 /nfs/dbraw/zinc/02/59/84/984025984.db2.gz PGXQBYHATMJNMP-ZDUSSCGKSA-N -1 0 334.464 3.089 20 30 EGEDRM C=CC[C@@H](Cc1ccccc1)NC(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001588745064 984048548 /nfs/dbraw/zinc/04/85/48/984048548.db2.gz URCZDISQDCYAAG-AWEZNQCLSA-N -1 0 327.384 3.032 20 30 EGEDRM C=CCC1(NC(=O)NCc2ccc(OC)c(C(=O)[O-])c2)CCCC1 ZINC001588767195 984128637 /nfs/dbraw/zinc/12/86/37/984128637.db2.gz OLYBWCKMBGSLCF-UHFFFAOYSA-N -1 0 332.400 3.082 20 30 EGEDRM C=CC[C@H]1CCCC[C@H]1NC(=O)NC(C)(C)c1nocc1C(=O)[O-] ZINC001588771344 984139007 /nfs/dbraw/zinc/13/90/07/984139007.db2.gz SDPSDUUAOXOSIJ-WCQYABFASA-N -1 0 335.404 3.042 20 30 EGEDRM C=CC[C@@H]1N(C(=O)Nc2nc(CC(=O)[O-])cs2)CCCC1(C)C ZINC001588774367 984151538 /nfs/dbraw/zinc/15/15/38/984151538.db2.gz WCSNHYVAYWIREM-LBPRGKRZSA-N -1 0 337.445 3.369 20 30 EGEDRM C=CCCC[C@@H](C)NS(=O)(=O)c1cccc(Cl)c1C(=O)[O-] ZINC001588786278 984183742 /nfs/dbraw/zinc/18/37/42/984183742.db2.gz OUNREVGHCLTEKS-SNVBAGLBSA-N -1 0 331.821 3.061 20 30 EGEDRM C=CCCC[C@@H](NC(=O)Cc1c[nH]c2c1cccc2CC)C(=O)[O-] ZINC001588788782 984193185 /nfs/dbraw/zinc/19/31/85/984193185.db2.gz NUURDIJSHZENME-MRXNPFEDSA-N -1 0 328.412 3.199 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1ccccc1OC(F)(F)F)C(=O)[O-] ZINC001588792655 984211526 /nfs/dbraw/zinc/21/15/26/984211526.db2.gz BZXMDOKNBQYFQR-NSHDSACASA-N -1 0 331.290 3.125 20 30 EGEDRM C=CCCC[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1)C(=O)[O-] ZINC001588794412 984226947 /nfs/dbraw/zinc/22/69/47/984226947.db2.gz TWIVLXPAVHGXCC-FZMZJTMJSA-N -1 0 325.792 3.033 20 30 EGEDRM C=CCCCCCCCN1C(=O)NC2(CCC(C(=O)[O-])CC2)C1=O ZINC001588798814 984238786 /nfs/dbraw/zinc/23/87/86/984238786.db2.gz RUJHPYVRBQJDTD-UHFFFAOYSA-N -1 0 336.432 3.078 20 30 EGEDRM C=CCCOCCCCC(=O)N1c2ccccc2C[C@H](C)[C@@H]1C(=O)[O-] ZINC001588810383 984266765 /nfs/dbraw/zinc/26/67/65/984266765.db2.gz MADDRUITDDAJSN-HNAYVOBHSA-N -1 0 345.439 3.428 20 30 EGEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001588829260 984313179 /nfs/dbraw/zinc/31/31/79/984313179.db2.gz MQAQTTHYDYPDGM-UHFFFAOYSA-N -1 0 339.391 3.151 20 30 EGEDRM C=CCNC(=O)c1ccc(NCc2[nH]cc(C(=O)[O-])c2C2CC2)cc1 ZINC001588843689 984353899 /nfs/dbraw/zinc/35/38/99/984353899.db2.gz FVUGHONREPTMIE-UHFFFAOYSA-N -1 0 339.395 3.118 20 30 EGEDRM C=CCNc1nnc(S[C@H](C(=O)[O-])c2cccc(OC)c2)s1 ZINC001588849563 984372584 /nfs/dbraw/zinc/37/25/84/984372584.db2.gz ZKGDAYHNBGBHIN-NSHDSACASA-N -1 0 337.426 3.063 20 30 EGEDRM C=CCOc1ccc(C(=O)N(C)c2c(OC)cccc2C(=O)[O-])cc1 ZINC001588869513 984439169 /nfs/dbraw/zinc/43/91/69/984439169.db2.gz HNDPPBQRDPBVLZ-UHFFFAOYSA-N -1 0 341.363 3.235 20 30 EGEDRM C=CCOc1ccc(CC(=O)Nc2ccc(C)cc2C(=O)[O-])cc1 ZINC001588874180 984448123 /nfs/dbraw/zinc/44/81/23/984448123.db2.gz ZIDHJVZDKGTEOE-UHFFFAOYSA-N -1 0 325.364 3.439 20 30 EGEDRM C=CCOc1ccc(C(=O)Nc2nc(C(C)(C)C(=O)[O-])cs2)cc1 ZINC001588874832 984449467 /nfs/dbraw/zinc/44/94/67/984449467.db2.gz IETZFAHUIGIFLO-UHFFFAOYSA-N -1 0 346.408 3.322 20 30 EGEDRM C=CCOc1cccnc1C(=O)Nc1nc(C(=O)[O-])c(C(C)C)s1 ZINC001588878559 984454413 /nfs/dbraw/zinc/45/44/13/984454413.db2.gz DCFTXRCHISVFBN-UHFFFAOYSA-N -1 0 347.396 3.177 20 30 EGEDRM C=CCc1cc(C(=O)Nc2sccc2C(=O)[O-])cc(OC)c1OC ZINC001588881572 984460520 /nfs/dbraw/zinc/46/05/20/984460520.db2.gz AOOYHRGPLBFXJF-UHFFFAOYSA-N -1 0 347.392 3.444 20 30 EGEDRM C=CCn1c(S[C@H](CC)C(=O)[O-])nc2sc(C)c(C)c2c1=O ZINC001588904981 984534228 /nfs/dbraw/zinc/53/42/28/984534228.db2.gz KUSLPXOQTOSNJP-SNVBAGLBSA-N -1 0 338.454 3.216 20 30 EGEDRM C=CCn1c(SC/C(C)=C\C(=O)[O-])nnc1-c1ccccc1OC ZINC001588907453 984539302 /nfs/dbraw/zinc/53/93/02/984539302.db2.gz NQDDLYPYZBLNCN-BENRWUELSA-N -1 0 345.424 3.263 20 30 EGEDRM C=C[C@@H]1OCC[C@H]1C(=O)O[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC001588916688 984562860 /nfs/dbraw/zinc/56/28/60/984562860.db2.gz ZKRGCDRARDACEE-KGYLQXTDSA-N -1 0 345.178 3.253 20 30 EGEDRM CC(=NOCCCC1CCOCC1)c1ccc(OCC(=O)[O-])cc1 ZINC001589020678 985008091 /nfs/dbraw/zinc/00/80/91/985008091.db2.gz FJAMDEQNGPIRGN-UHFFFAOYSA-N -1 0 335.400 3.097 20 30 EGEDRM CC(=NOCCCCC(=O)[O-])c1nc2ccccc2n1C(F)F ZINC001589021745 985014181 /nfs/dbraw/zinc/01/41/81/985014181.db2.gz UTTMGLQGKDGNRG-UHFFFAOYSA-N -1 0 325.315 3.427 20 30 EGEDRM CC(=O)c1cc(C#N)ccc1NC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001589255868 985899172 /nfs/dbraw/zinc/89/91/72/985899172.db2.gz WLPJGQOLGVMRKD-UHFFFAOYSA-N -1 0 342.738 3.365 20 30 EGEDRM Cc1c2cc(C#N)ccc2sc1C(=O)N(C)C(C)(C)CC(=O)[O-] ZINC001599974888 986073016 /nfs/dbraw/zinc/07/30/16/986073016.db2.gz LWEUHQYBRSAIBS-UHFFFAOYSA-N -1 0 330.409 3.407 20 30 EGEDRM Cc1c2cc(C#N)ccc2sc1C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001599983046 986190337 /nfs/dbraw/zinc/19/03/37/986190337.db2.gz UWIMYMPYRBFGGM-UHFFFAOYSA-N -1 0 339.376 3.370 20 30 EGEDRM CCOc1cc(C(=O)[O-])ccc1NC(=O)c1[nH]c2ccccc2c1C#N ZINC001597021858 986414600 /nfs/dbraw/zinc/41/46/00/986414600.db2.gz DSVLHGFVFHFFAC-UHFFFAOYSA-N -1 0 349.346 3.389 20 30 EGEDRM CC(C)(C#N)c1ccc(C(=O)N[C@H](C(=O)[O-])c2ccsc2)cc1 ZINC001589557387 987305818 /nfs/dbraw/zinc/30/58/18/987305818.db2.gz CBMSINKMJMDQBT-AWEZNQCLSA-N -1 0 328.393 3.105 20 30 EGEDRM CC(C)(C#N)c1ccc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC001589558082 987308333 /nfs/dbraw/zinc/30/83/33/987308333.db2.gz LNNLJZRCSQDQQN-CQSZACIVSA-N -1 0 328.412 3.205 20 30 EGEDRM CC(C)(C(=O)OCc1occc1C(=O)[O-])c1cc(F)cc(C#N)c1 ZINC001589682234 987718583 /nfs/dbraw/zinc/71/85/83/987718583.db2.gz RANOQLXFPDTSII-UHFFFAOYSA-N -1 0 331.299 3.010 20 30 EGEDRM CN(C(=O)C1CC1)c1ccc(N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC001597996432 990104310 /nfs/dbraw/zinc/10/43/10/990104310.db2.gz DASGRSCZBIJLPV-GOSISDBHSA-N -1 0 349.390 3.169 20 30 EGEDRM CN(C(=O)Nc1cccc(CSCC(=O)[O-])c1)[C@@H]1CCC[C@H]1C#N ZINC001598061510 990333969 /nfs/dbraw/zinc/33/39/69/990333969.db2.gz JEXFNHCYRGIKIF-DZGCQCFKSA-N -1 0 347.440 3.160 20 30 EGEDRM CC(C)(CC=NN1C(=S)N=NC1c1ccccc1Cl)C(=O)[O-] ZINC001590654905 990349533 /nfs/dbraw/zinc/34/95/33/990349533.db2.gz YJQCZNMPOGMGAO-UHFFFAOYSA-N -1 0 338.820 3.222 20 30 EGEDRM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001591342771 992322137 /nfs/dbraw/zinc/32/21/37/992322137.db2.gz KBEMGMDBXVABLU-ZWKOTPCHSA-N -1 0 342.439 3.434 20 30 EGEDRM CC(C)COC[C@H](N[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccco1 ZINC001591391400 992452872 /nfs/dbraw/zinc/45/28/72/992452872.db2.gz ZJIDNLLTFAZTMY-FUHWJXTLSA-N -1 0 342.395 3.280 20 30 EGEDRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)C(F)(F)c1ccccc1C#N ZINC001598509755 992554940 /nfs/dbraw/zinc/55/49/40/992554940.db2.gz BPUNLDVEIDFCHY-UHFFFAOYSA-N -1 0 344.317 3.007 20 30 EGEDRM CC(C)NC(=O)Nc1ccc(C(=O)/C=C/c2cc(C(=O)[O-])co2)cc1 ZINC001591652338 992973394 /nfs/dbraw/zinc/97/33/94/992973394.db2.gz HWELOBZZOCGOCD-BQYQJAHWSA-N -1 0 342.351 3.404 20 30 EGEDRM COc1ccc(OC)c(C=NOCc2ccc(C(=O)[O-])cc2F)c1 ZINC001599603561 993852393 /nfs/dbraw/zinc/85/23/93/993852393.db2.gz TYIURBXYRJRXHL-UHFFFAOYSA-N -1 0 333.315 3.092 20 30 EGEDRM C[C@@H](OC(=O)C1(c2cccc(C#N)c2)CC1)c1cc(C(=O)[O-])co1 ZINC001593496572 995474982 /nfs/dbraw/zinc/47/49/82/995474982.db2.gz MJKVSAFLXDBWPH-LLVKDONJSA-N -1 0 325.320 3.185 20 30 EGEDRM C[C@@H](Oc1ccc(NC(=O)CC2(C#N)CCCCC2)cc1F)C(=O)[O-] ZINC001593623954 995882991 /nfs/dbraw/zinc/88/29/91/995882991.db2.gz CJZCRILVKZIBMH-GFCCVEGCSA-N -1 0 348.374 3.480 20 30 EGEDRM C[C@H](Oc1ccc(NC(=O)CC2(C#N)CCCCC2)cc1F)C(=O)[O-] ZINC001593623955 995883268 /nfs/dbraw/zinc/88/32/68/995883268.db2.gz CJZCRILVKZIBMH-LBPRGKRZSA-N -1 0 348.374 3.480 20 30 EGEDRM C[C@H](Oc1ccccc1C#N)C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001593641422 995951925 /nfs/dbraw/zinc/95/19/25/995951925.db2.gz JQUCHUUJPNFUFO-NSHDSACASA-N -1 0 349.346 3.144 20 30 EGEDRM C[C@@H](Sc1ccccc1C(=O)NCc1cccc(C#N)c1)C(=O)[O-] ZINC001593672558 996077160 /nfs/dbraw/zinc/07/71/60/996077160.db2.gz FIEYTOOFEUXZOR-GFCCVEGCSA-N -1 0 340.404 3.053 20 30 EGEDRM COc1ccc(C(=O)[O-])c(OC(=O)[C@@H](C)Cc2ccc(C#N)cc2)c1 ZINC001599491149 996941383 /nfs/dbraw/zinc/94/13/83/996941383.db2.gz GRMJVFFAJTZKQW-LBPRGKRZSA-N -1 0 339.347 3.049 20 30 EGEDRM COc1ccc([C@H](C)CCNc2ccc(C(=O)[O-])nc2C#N)cc1 ZINC001599507555 997238241 /nfs/dbraw/zinc/23/82/41/997238241.db2.gz RVYZFBLPAZVAOD-GFCCVEGCSA-N -1 0 325.368 3.266 20 30 EGEDRM COC1CC(C(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)C1 ZINC001599094913 997261919 /nfs/dbraw/zinc/26/19/19/997261919.db2.gz ZEQRDRHPIMZASD-UHFFFAOYSA-N -1 0 349.386 3.148 20 30 EGEDRM COc1ccc(/C=C/C(=O)[O-])cc1OC(=O)[C@]1(C#N)CC12CCCC2 ZINC001599540994 997842272 /nfs/dbraw/zinc/84/22/72/997842272.db2.gz BAFSHOQBICUMKU-WSSFADSRSA-N -1 0 341.363 3.172 20 30 EGEDRM COc1cc(C#N)ccc1NC(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC001599348436 998051275 /nfs/dbraw/zinc/05/12/75/998051275.db2.gz XHZYUETWUCTOKP-LLVKDONJSA-N -1 0 339.351 3.399 20 30 EGEDRM COc1cc(C#N)ccc1C(=O)Nc1c(C)sc(C)c1C(=O)[O-] ZINC001599349312 998065164 /nfs/dbraw/zinc/06/51/64/998065164.db2.gz NZSDAGBTUIESIO-UHFFFAOYSA-N -1 0 330.365 3.196 20 30 EGEDRM COc1ccc(CNc2nc3c(cc2C#N)CCCC3)cc1C(=O)[O-] ZINC001599575490 998435733 /nfs/dbraw/zinc/43/57/33/998435733.db2.gz ZINDPMKFLQJMTG-UHFFFAOYSA-N -1 0 337.379 3.151 20 30 EGEDRM C[C@H]1CC(n2nc(C(=O)[O-])cc2-c2ccc(C#N)cc2)C[C@H](C)O1 ZINC001594271897 999051898 /nfs/dbraw/zinc/05/18/98/999051898.db2.gz MCSIXZQKFKBKPL-RYUDHWBXSA-N -1 0 325.368 3.248 20 30 EGEDRM COc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc([N+](=O)[O-])c1[O-] ZINC000035310588 213020010 /nfs/dbraw/zinc/02/00/10/213020010.db2.gz HTDCOOFPGXHCRY-GORDUTHDSA-N -1 0 335.262 3.483 20 30 EGEDRM CCOc1ccc(N(CCC#N)C(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000188535393 269673401 /nfs/dbraw/zinc/67/34/01/269673401.db2.gz PALPAPDOKGDZQA-UHFFFAOYSA-N -1 0 335.363 3.223 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nc2)ccc1C#N ZINC000324141153 142618196 /nfs/dbraw/zinc/61/81/96/142618196.db2.gz XVRAVCDPRLGRDZ-UHFFFAOYSA-N -1 0 341.314 3.081 20 30 EGEDRM N#Cc1ccc(C(=O)[O-])nc1/C=C/c1csc(-c2ccccn2)n1 ZINC000341344939 155243989 /nfs/dbraw/zinc/24/39/89/155243989.db2.gz KKBBALGAFFLVTG-FNORWQNLSA-N -1 0 334.360 3.340 20 30 EGEDRM N#Cc1cc(F)c(C(=O)Nc2ccnc(-c3cncs3)n2)c(F)c1 ZINC000344058433 164093368 /nfs/dbraw/zinc/09/33/68/164093368.db2.gz IBVJKBSVZRPBFC-UHFFFAOYSA-N -1 0 343.318 3.002 20 30 EGEDRM CNc1ccc(C#N)cc1NC(=O)c1ccc(Br)c([O-])c1 ZINC000355659897 166276248 /nfs/dbraw/zinc/27/62/48/166276248.db2.gz YNFIRGBQWJIAMU-UHFFFAOYSA-N -1 0 346.184 3.320 20 30 EGEDRM N#Cc1ccc(Cl)c(C(=O)N=c2nc(-c3ccccc3)[n-]s2)c1 ZINC000507460200 269963557 /nfs/dbraw/zinc/96/35/57/269963557.db2.gz MKCUTVFCZBXDNP-UHFFFAOYSA-N -1 0 340.795 3.404 20 30 EGEDRM CCCOc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000435720877 267029180 /nfs/dbraw/zinc/02/91/80/267029180.db2.gz FTAJJOPRSLIFLO-UHFFFAOYSA-N -1 0 330.409 3.456 20 30 EGEDRM CCN(CC)c1ncc(/C=C\c2nc(C(=O)[O-])ccc2C#N)s1 ZINC000453020814 267062267 /nfs/dbraw/zinc/06/22/67/267062267.db2.gz KZZMVYSUKZGPJN-VURMDHGXSA-N -1 0 328.397 3.125 20 30 EGEDRM CC[C@@H](Cc1ccccc1C)C(=O)N=c1[n-]n(C(C)(C)C)cc1C#N ZINC000425512440 267187816 /nfs/dbraw/zinc/18/78/16/267187816.db2.gz DIIMUMOWBZFPNR-HNNXBMFYSA-N -1 0 338.455 3.448 20 30 EGEDRM CN(CCCC(=O)[O-])c1c(C#N)cnc2c(Br)cccc21 ZINC000416423893 267305024 /nfs/dbraw/zinc/30/50/24/267305024.db2.gz YKNGCXQTZSDFEL-UHFFFAOYSA-N -1 0 348.200 3.170 20 30 EGEDRM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc2c1OC(C)(C)C2 ZINC000195504514 267391350 /nfs/dbraw/zinc/39/13/50/267391350.db2.gz FORIANFMTGVBPY-UHFFFAOYSA-N -1 0 342.420 3.381 20 30 EGEDRM Cc1ccnc(Oc2ccc(NC(=O)c3ccc(C#N)c([O-])c3)cc2)n1 ZINC000188633873 267518844 /nfs/dbraw/zinc/51/88/44/267518844.db2.gz FXDDNLRNJQCAMS-UHFFFAOYSA-N -1 0 346.346 3.407 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2cc(C3CCCCC3)[nH]n2)ccc1C#N ZINC000446781891 268018185 /nfs/dbraw/zinc/01/81/85/268018185.db2.gz AYPOQDBPEFVPNP-UHFFFAOYSA-N -1 0 344.440 3.438 20 30 EGEDRM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)s2)cc1OC(F)F ZINC000435495332 268039626 /nfs/dbraw/zinc/03/96/26/268039626.db2.gz FLTLORWTDDFUHO-UHFFFAOYSA-N -1 0 344.364 3.330 20 30 EGEDRM N#Cc1ccc(C(=O)[O-])nc1/C=C\c1cnc(-c2ccccc2)nc1 ZINC000524157355 268207248 /nfs/dbraw/zinc/20/72/48/268207248.db2.gz YBUIYOVHVDBDGE-VURMDHGXSA-N -1 0 328.331 3.279 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccsc2)cc1Br ZINC000432767323 268260994 /nfs/dbraw/zinc/26/09/94/268260994.db2.gz KISJUMZVTGUVTF-UHFFFAOYSA-N -1 0 343.227 3.183 20 30 EGEDRM N#Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000070269169 307376711 /nfs/dbraw/zinc/37/67/11/307376711.db2.gz DADSWMGNPVPNCH-UHFFFAOYSA-N -1 0 328.727 3.291 20 30 EGEDRM Cc1cccc(S(=O)(=O)[N-]c2cc(F)c(F)c(F)c2)c1C#N ZINC000137542891 307718098 /nfs/dbraw/zinc/71/80/98/307718098.db2.gz AJAJYOWPKUUYOI-UHFFFAOYSA-N -1 0 326.299 3.085 20 30 EGEDRM N#Cc1ccc(NC(=O)N[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc1 ZINC000566951667 316547740 /nfs/dbraw/zinc/54/77/40/316547740.db2.gz QQRWPULEIUCULX-AWEZNQCLSA-N -1 0 347.733 3.298 20 30 EGEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000389248863 324279136 /nfs/dbraw/zinc/27/91/36/324279136.db2.gz MIBIPRAJQNATHF-UHFFFAOYSA-N -1 0 340.763 3.160 20 30 EGEDRM Cc1oc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)nc1C1CC1 ZINC000576311867 324588701 /nfs/dbraw/zinc/58/87/01/324588701.db2.gz NVXGIEUBBITTEK-UHFFFAOYSA-N -1 0 337.788 3.186 20 30 EGEDRM C=CC1CCN(C(=O)C[C@](C)(C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC000634904502 460594006 /nfs/dbraw/zinc/59/40/06/460594006.db2.gz QVZQFFVNVWHXRY-SFHVURJKSA-N -1 0 335.831 3.497 20 30 EGEDRM C[C@@H]1CCc2[nH]c3ccc(C(=O)Nc4nc(C#N)c(C#N)[n-]4)cc3c2C1 ZINC000026276219 453795725 /nfs/dbraw/zinc/79/57/25/453795725.db2.gz MGLUJGZUIJDXCT-SNVBAGLBSA-N -1 0 344.378 3.011 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)Nc2nc3ccccc3s2)cc1C#N ZINC000027609240 453819532 /nfs/dbraw/zinc/81/95/32/453819532.db2.gz YLHCOVPDQHEODH-UHFFFAOYSA-N -1 0 342.405 3.243 20 30 EGEDRM CCOc1ccc([N-]S(=O)(=O)c2ccccc2C#N)cc1Cl ZINC000055633021 454001080 /nfs/dbraw/zinc/00/10/80/454001080.db2.gz MPPFKFMDRGQMGV-UHFFFAOYSA-N -1 0 336.800 3.411 20 30 EGEDRM CCCc1ncc(C([O-])=C(C#N)c2nc(C(=O)OCC)cs2)s1 ZINC000076883869 454046561 /nfs/dbraw/zinc/04/65/61/454046561.db2.gz YTOWCYZBJJJETI-VIFPVBQESA-N -1 0 349.437 3.219 20 30 EGEDRM CC1(C(=O)[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)CCCC1 ZINC000069597795 454122657 /nfs/dbraw/zinc/12/26/57/454122657.db2.gz ZRRQFCOULDYFSF-UHFFFAOYSA-N -1 0 326.805 3.437 20 30 EGEDRM O=C(C=Cc1ccc2c(c1)CCO2)[N-]S(=O)(=O)C1CCCCC1 ZINC000058071385 454162688 /nfs/dbraw/zinc/16/26/88/454162688.db2.gz OVDOPVQJFIEMNC-VQHVLOKHSA-N -1 0 335.425 3.254 20 30 EGEDRM COc1cccc(C=CC(=O)[N-]S(=O)(=O)c2cccc(OC)c2)c1 ZINC000058186471 454169337 /nfs/dbraw/zinc/16/93/37/454169337.db2.gz XBLHBXXRFOVQDG-MDZDMXLPSA-N -1 0 347.392 3.062 20 30 EGEDRM C[C@H]1CN(c2ccc(/N=C/c3cc([N+](=O)[O-])ccc3[O-])cc2)CCO1 ZINC000078007405 454176615 /nfs/dbraw/zinc/17/66/15/454176615.db2.gz OLACAMVYLJFPIF-MDBUFAAASA-N -1 0 341.367 3.276 20 30 EGEDRM Cc1csc([C@@H](C#N)C(=O)c2cnc3c(cnn3CC(C)C)c2)n1 ZINC000119752826 454218228 /nfs/dbraw/zinc/21/82/28/454218228.db2.gz PNILXQYBPNYMDC-AWEZNQCLSA-N -1 0 339.424 3.342 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000600875521 460627678 /nfs/dbraw/zinc/62/76/78/460627678.db2.gz UDBMALQBSZLAHT-CYBMUJFWSA-N -1 0 334.372 3.042 20 30 EGEDRM CC(=O)Nc1nc(C([O-])=C(C#N)c2ccc3ccccc3n2)cs1 ZINC000047376917 454364939 /nfs/dbraw/zinc/36/49/39/454364939.db2.gz RBJCSDMAWVVMDP-LBPRGKRZSA-N -1 0 336.376 3.140 20 30 EGEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1C ZINC000064478998 454485796 /nfs/dbraw/zinc/48/57/96/454485796.db2.gz GWBOLIKHHYZCHI-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM CCC(CC)S(=O)(=O)[N-]C(=O)C=Cc1ccc(NC(C)=O)cc1 ZINC000073838182 454489597 /nfs/dbraw/zinc/48/95/97/454489597.db2.gz ZNYISFMYRZRKKL-DHZHZOJOSA-N -1 0 338.429 3.133 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)cc1C ZINC000048473506 454492201 /nfs/dbraw/zinc/49/22/01/454492201.db2.gz XWQWLTSVYIUPKA-YIONKMFJSA-N -1 0 349.452 3.344 20 30 EGEDRM Cc1noc(C(C)C)c1C(=O)[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC000048473796 454492399 /nfs/dbraw/zinc/49/23/99/454492399.db2.gz QNDSMZHBNTVQQT-UHFFFAOYSA-N -1 0 336.413 3.417 20 30 EGEDRM Cc1ccc(-c2ccc(C([O-])=C(C#N)C(=O)c3nccn3C)s2)o1 ZINC000102076435 454493516 /nfs/dbraw/zinc/49/35/16/454493516.db2.gz AOFPMUAKDMFBBJ-NSHDSACASA-N -1 0 339.376 3.255 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2ccccc2OC[C@@H]2CCCO2)n1 ZINC000073974574 454510923 /nfs/dbraw/zinc/51/09/23/454510923.db2.gz RMMKTMIDLLBPIC-DZGCQCFKSA-N -1 0 342.420 3.499 20 30 EGEDRM C[C@@H](/N=C/c1cc(Cl)cc(Cl)c1[O-])[C@@H](C)N1CCOCC1 ZINC000105356560 454636464 /nfs/dbraw/zinc/63/64/64/454636464.db2.gz VKPFJJLFWBQVJX-LPHLQJALSA-N -1 0 331.243 3.227 20 30 EGEDRM C=CCN=c1[n-]nc(SC[C@H](OC)c2ccc(F)cc2)s1 ZINC000629087508 460645006 /nfs/dbraw/zinc/64/50/06/460645006.db2.gz ZLFMWFHKKFGMSQ-LBPRGKRZSA-N -1 0 325.434 3.177 20 30 EGEDRM CCCn1c2ccccc2nc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000107035512 454738088 /nfs/dbraw/zinc/73/80/88/454738088.db2.gz KYBYHVVRJICPSE-UHFFFAOYSA-N -1 0 340.408 3.119 20 30 EGEDRM Cc1cccc(S(=O)(=O)[N-]c2cc(-c3cccs3)[nH]n2)c1C#N ZINC000137637363 454784263 /nfs/dbraw/zinc/78/42/63/454784263.db2.gz NONAXFZNDMGUEP-UHFFFAOYSA-N -1 0 344.421 3.119 20 30 EGEDRM N#CCCCOc1cccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000164281897 454878840 /nfs/dbraw/zinc/87/88/40/454878840.db2.gz XBQSRXIHHSMSKS-UHFFFAOYSA-N -1 0 341.323 3.235 20 30 EGEDRM CCn1cc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)cn1 ZINC000114619032 454964604 /nfs/dbraw/zinc/96/46/04/454964604.db2.gz KZBHFICNUVFRBZ-HNNXBMFYSA-N -1 0 347.403 3.388 20 30 EGEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)c1cccc(C(=O)[O-])c1 ZINC000237270801 455166896 /nfs/dbraw/zinc/16/68/96/455166896.db2.gz BCPPVZODHUCITI-UHFFFAOYSA-N -1 0 325.364 3.222 20 30 EGEDRM C=C[C@H](CC(=O)Nc1cccc(OCC(=O)[O-])c1)c1ccccc1 ZINC000190914747 455403896 /nfs/dbraw/zinc/40/38/96/455403896.db2.gz NTJZHNQAEFDLEH-CQSZACIVSA-N -1 0 325.364 3.448 20 30 EGEDRM O=C([N-]CC#Cc1cccc(C(F)(F)F)c1)C(F)(F)C(F)F ZINC000175865693 455507770 /nfs/dbraw/zinc/50/77/70/455507770.db2.gz YZGGGXOXCYBKRC-UHFFFAOYSA-N -1 0 327.199 3.074 20 30 EGEDRM CC(=O)c1cc(C([O-])=C(C#N)c2nnc3n2CCCCC3)ccc1C ZINC000192793518 455694803 /nfs/dbraw/zinc/69/48/03/455694803.db2.gz ASHCSMVPOHQGQC-MRXNPFEDSA-N -1 0 336.395 3.006 20 30 EGEDRM C=C[C@@H](CC(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1)c1ccccc1 ZINC000192994921 455732808 /nfs/dbraw/zinc/73/28/08/455732808.db2.gz QKBTZCRUANOHNW-ZDUSSCGKSA-N -1 0 327.384 3.001 20 30 EGEDRM CC[C@@H](C)CO[N-]C(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000293250128 455779594 /nfs/dbraw/zinc/77/95/94/455779594.db2.gz GDFIHRVWLJYNLT-OLZOCXBDSA-N -1 0 349.456 3.113 20 30 EGEDRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC000263113408 456094702 /nfs/dbraw/zinc/09/47/02/456094702.db2.gz LFGZMTWGZBIKDG-OLZOCXBDSA-N -1 0 329.400 3.062 20 30 EGEDRM CC(C)(C#N)c1ccc(NC(=O)NC2CCC(C(=O)[O-])CC2)cc1 ZINC000263483779 456156764 /nfs/dbraw/zinc/15/67/64/456156764.db2.gz LREIQLNQQFOTAI-UHFFFAOYSA-N -1 0 329.400 3.253 20 30 EGEDRM C=C(C)CN(CC)S(=O)(=O)c1cc(C(=O)[O-])ccc1C(C)C ZINC000236917196 456200607 /nfs/dbraw/zinc/20/06/07/456200607.db2.gz NPYOLDVEPVCWFV-UHFFFAOYSA-N -1 0 325.430 3.095 20 30 EGEDRM CC1(C)CCCc2sc([N-]S(=O)(=O)c3ccc(C#N)o3)nc21 ZINC000290960624 456479999 /nfs/dbraw/zinc/47/99/99/456479999.db2.gz OIJYRWHAVRCGPV-UHFFFAOYSA-N -1 0 337.426 3.022 20 30 EGEDRM CC(C)n1cc(C#N)c(=NC(=O)[C@H](C)Oc2ccc3ccccc3c2)[n-]1 ZINC000348269556 456585229 /nfs/dbraw/zinc/58/52/29/456585229.db2.gz RSWVAIOWEBYWMS-AWEZNQCLSA-N -1 0 348.406 3.317 20 30 EGEDRM Cc1c(C([O-])=C(C#N)c2nc3ccccc3o2)nnn1-c1ccccc1 ZINC000353554209 456756065 /nfs/dbraw/zinc/75/60/65/456756065.db2.gz IQGNJQWOCJAQBI-AWEZNQCLSA-N -1 0 343.346 3.207 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(OC(F)F)c2)o1 ZINC000340948016 456778144 /nfs/dbraw/zinc/77/81/44/456778144.db2.gz HGYHFCYNEUOOHA-UHFFFAOYSA-N -1 0 348.714 3.207 20 30 EGEDRM C=CCCC(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000338669792 456850583 /nfs/dbraw/zinc/85/05/83/456850583.db2.gz QVWMAYPAQPEWCI-UHFFFAOYSA-N -1 0 330.409 3.392 20 30 EGEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)c(F)c1 ZINC000341359460 456853919 /nfs/dbraw/zinc/85/39/19/456853919.db2.gz HWXJYBDLCANVHN-UHFFFAOYSA-N -1 0 346.717 3.430 20 30 EGEDRM CCc1nc(C([O-])=C(C#N)c2nc(C)cs2)nn1-c1ccccc1 ZINC000344947405 456873178 /nfs/dbraw/zinc/87/31/78/456873178.db2.gz UKZLTWNZWPYGSD-CYBMUJFWSA-N -1 0 337.408 3.085 20 30 EGEDRM Cc1cc(C(C#N)=C([O-])c2cnc(Oc3ccccc3)cn2)nc(C)n1 ZINC000358868742 457014823 /nfs/dbraw/zinc/01/48/23/457014823.db2.gz CZRZJGVGKQJVPZ-HNNXBMFYSA-N -1 0 345.362 3.166 20 30 EGEDRM C[C@H]1CC[C@H](/N=C(/[O-])Nc2cccn(CC(F)(F)F)c2=O)CC1 ZINC000330932732 457106735 /nfs/dbraw/zinc/10/67/35/457106735.db2.gz AVGWUUXRAVFOOA-XYPYZODXSA-N -1 0 331.338 3.315 20 30 EGEDRM Cc1cc(C)cc(-c2n[n-]c(=NC(=O)N[C@H]3CCC[C@H]3C#N)s2)c1 ZINC000331726340 457239667 /nfs/dbraw/zinc/23/96/67/457239667.db2.gz MPLNRDWLOCRXTB-JSGCOSHPSA-N -1 0 341.440 3.058 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)c2ccncn2)nc(-c2ccc(Cl)cc2)n1 ZINC000354464951 457240939 /nfs/dbraw/zinc/24/09/39/457240939.db2.gz LGVCCCFNDZTRNN-CQSZACIVSA-N -1 0 349.781 3.386 20 30 EGEDRM CCCOc1nc(C([O-])=C(C#N)c2ccncn2)cc2ccccc21 ZINC000354469375 457243396 /nfs/dbraw/zinc/24/33/96/457243396.db2.gz QSAXMZFNGVNDTG-OAHLLOKOSA-N -1 0 332.363 3.304 20 30 EGEDRM Cn1cc(C([O-])=C(C#N)c2ccncn2)c(-c2ccccc2Cl)n1 ZINC000354476313 457247767 /nfs/dbraw/zinc/24/77/67/457247767.db2.gz ZEDNHALHMUBSHQ-GFCCVEGCSA-N -1 0 337.770 3.021 20 30 EGEDRM C=C[C@@](C)(CC)C(=O)N=c1cc(-c2ccn(Cc3ccccc3)n2)[n-][nH]1 ZINC000360440825 457311258 /nfs/dbraw/zinc/31/12/58/457311258.db2.gz IDYZJWRHVFDMME-FQEVSTJZSA-N -1 0 349.438 3.284 20 30 EGEDRM CC(C)CCN(CCC#N)C(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000339932409 457315823 /nfs/dbraw/zinc/31/58/23/457315823.db2.gz TWFFQNCEHMBGHB-UHFFFAOYSA-N -1 0 344.390 3.119 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ncc(-c3ccccc3F)s2)o1 ZINC000342576604 457375790 /nfs/dbraw/zinc/37/57/90/457375790.db2.gz HIMPLQPCDVXTKW-UHFFFAOYSA-N -1 0 349.368 3.215 20 30 EGEDRM Cc1[n-][nH]c(=NC(=O)c2csc(-c3cccc(Cl)c3)n2)c1C#N ZINC000357248447 457400898 /nfs/dbraw/zinc/40/08/98/457400898.db2.gz DINXWCUNONWWEO-UHFFFAOYSA-N -1 0 343.799 3.041 20 30 EGEDRM Cn1nncc1C([O-])=C(C#N)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000342644266 457424925 /nfs/dbraw/zinc/42/49/25/457424925.db2.gz RPHLBEVFHBKDFW-LLVKDONJSA-N -1 0 343.799 3.082 20 30 EGEDRM CC(=O)c1ccc(C#N)c(N(C)Cc2nc(=O)c3sccc3[n-]2)c1 ZINC000357307222 457435383 /nfs/dbraw/zinc/43/53/83/457435383.db2.gz BZNNHOLEPQMBCF-UHFFFAOYSA-N -1 0 338.392 3.108 20 30 EGEDRM C=CCC[C@@H](C(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1)c1ccccc1 ZINC000425298179 457486480 /nfs/dbraw/zinc/48/64/80/457486480.db2.gz IZMZBKVUEKFOFG-JKSUJKDBSA-N -1 0 341.411 3.231 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2cccnc2C(F)(F)F)ccc1C#N ZINC000342744277 457493197 /nfs/dbraw/zinc/49/31/97/457493197.db2.gz XRINKKVKNNZXFV-UHFFFAOYSA-N -1 0 341.314 3.081 20 30 EGEDRM CC(C)c1cccc(C(=O)[O-])c1NS(=O)(=O)c1ccc(C#N)cc1 ZINC000352603018 457495052 /nfs/dbraw/zinc/49/50/52/457495052.db2.gz GACFQPAFPHWWEE-UHFFFAOYSA-N -1 0 344.392 3.181 20 30 EGEDRM CCSc1cccc(F)c1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000357535055 457584793 /nfs/dbraw/zinc/58/47/93/457584793.db2.gz OLOVBNLJBHAZLE-UHFFFAOYSA-N -1 0 326.374 3.203 20 30 EGEDRM N#C[C@H]1CC[C@@H](NC(=O)N=c2[n-]nc(-c3cccc(Cl)c3)s2)C1 ZINC000425667231 457626853 /nfs/dbraw/zinc/62/68/53/457626853.db2.gz BXXCBPSIOYUZNE-JOYOIKCWSA-N -1 0 347.831 3.094 20 30 EGEDRM N#CC(=C([O-])c1c[nH]nc1-c1ccc(Cl)s1)c1ccncn1 ZINC000426915280 457925898 /nfs/dbraw/zinc/92/58/98/457925898.db2.gz VIEHAVXKUSXKKB-QMMMGPOBSA-N -1 0 329.772 3.072 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3scnc3c2)cc1F ZINC000427201853 457957855 /nfs/dbraw/zinc/95/78/55/457957855.db2.gz CPMMAGQFIQVSGG-UHFFFAOYSA-N -1 0 333.369 3.108 20 30 EGEDRM COCc1ncsc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000362120250 458031832 /nfs/dbraw/zinc/03/18/32/458031832.db2.gz VRQPAJXXVPVCLK-VIFPVBQESA-N -1 0 341.314 3.193 20 30 EGEDRM C=CCN(CCc1ccccc1)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000428031179 458069185 /nfs/dbraw/zinc/06/91/85/458069185.db2.gz KGXMGXKWJYRHMD-UHFFFAOYSA-N -1 0 326.352 3.171 20 30 EGEDRM CC(C)(C)[C@H](NS(=O)(=O)c1cccnc1C#N)c1ccccc1 ZINC000428233040 458102325 /nfs/dbraw/zinc/10/23/25/458102325.db2.gz XAWCHYVTKJFGST-MRXNPFEDSA-N -1 0 329.425 3.019 20 30 EGEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1c(C)cc(F)cc1C ZINC000362360908 458126220 /nfs/dbraw/zinc/12/62/20/458126220.db2.gz WEWMZRXBKOZPHR-UHFFFAOYSA-N -1 0 334.372 3.124 20 30 EGEDRM Fc1cc(F)c(CN=c2[n-]nc(C(F)(F)F)s2)c(F)c1F ZINC000362364788 458127152 /nfs/dbraw/zinc/12/71/52/458127152.db2.gz KGHOKRHMBPNGRQ-UHFFFAOYSA-N -1 0 331.216 3.147 20 30 EGEDRM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@](C)(CC(=O)[O-])C1CCCCC1 ZINC000435725502 458191910 /nfs/dbraw/zinc/19/19/10/458191910.db2.gz XVEPNCPEKYLQGF-LJHODMEESA-N -1 0 337.460 3.145 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(C(C)C)nc2)n1 ZINC000435744861 458194030 /nfs/dbraw/zinc/19/40/30/458194030.db2.gz ZSMBVSQUJMMWJB-GFCCVEGCSA-N -1 0 343.408 3.328 20 30 EGEDRM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCCCCCC(=O)[O-] ZINC000414608731 458324522 /nfs/dbraw/zinc/32/45/22/458324522.db2.gz KHUUZSSMFRDLDR-IRXDYDNUSA-N -1 0 343.427 3.113 20 30 EGEDRM CC1(C)CCc2nc([N-]S(=O)(=O)c3ccc(C#N)cc3)sc2C1 ZINC000416421790 458347195 /nfs/dbraw/zinc/34/71/95/458347195.db2.gz FTMZZKBQOUJPLR-UHFFFAOYSA-N -1 0 347.465 3.330 20 30 EGEDRM CCC(=O)c1ccc([O-])c(NC(=O)c2ncc(C#N)cc2Cl)c1 ZINC000436651167 458352380 /nfs/dbraw/zinc/35/23/80/458352380.db2.gz DJRCTMAXLPIGPN-UHFFFAOYSA-N -1 0 329.743 3.157 20 30 EGEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1cccc(Cl)c1OCC(F)F ZINC000416963147 458358733 /nfs/dbraw/zinc/35/87/33/458358733.db2.gz RANCGPAEJQEPAZ-MRVPVSSYSA-N -1 0 338.763 3.028 20 30 EGEDRM C=CCCO[C@H](C)C(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000449002518 458418388 /nfs/dbraw/zinc/41/83/88/458418388.db2.gz MUUNSPXFUPFDLU-NOZJJQNGSA-N -1 0 346.210 3.217 20 30 EGEDRM C=CCN(CCc1ccco1)C(=O)c1ccc2[nH]c(OCC)nc2c1 ZINC000450486490 458449765 /nfs/dbraw/zinc/44/97/65/458449765.db2.gz LCRHLOKZKVVPDV-UHFFFAOYSA-N -1 0 339.395 3.426 20 30 EGEDRM N#C[C@@H]1N(C(=O)c2ccc([O-])c(Cl)c2)CCC[C@]12CCCCO2 ZINC000377274487 458495089 /nfs/dbraw/zinc/49/50/89/458495089.db2.gz ZSKCAMLOMNGZHE-DOTOQJQBSA-N -1 0 334.803 3.113 20 30 EGEDRM C=CCN=c1[n-]nc(S[C@@H](C)c2cc(C(=O)OC)c(C)o2)s1 ZINC000430983789 458513212 /nfs/dbraw/zinc/51/32/12/458513212.db2.gz ISESUEDHOOGRFV-VIFPVBQESA-N -1 0 339.442 3.099 20 30 EGEDRM C=C(C)Cn1c([C@@H](CC)c2ccccc2)n[n-]c1=Nc1cnn(C)c1 ZINC000460370251 458514342 /nfs/dbraw/zinc/51/43/42/458514342.db2.gz PLYHZCDNQVKECN-KRWDZBQOSA-N -1 0 336.443 3.295 20 30 EGEDRM C=CCN=c1[n-]nc(S[C@H](C(=O)C2CC2)c2ccccc2)s1 ZINC000424089170 458556199 /nfs/dbraw/zinc/55/61/99/458556199.db2.gz VJOZJKOTDRTCMK-AWEZNQCLSA-N -1 0 331.466 3.370 20 30 EGEDRM CC(C)C[C@@H](CNC(=O)Nc1ccc(OC(C)C)c(C#N)c1)C(=O)[O-] ZINC000424384063 458630391 /nfs/dbraw/zinc/63/03/91/458630391.db2.gz QOHZCSNYKQIORJ-AWEZNQCLSA-N -1 0 347.415 3.214 20 30 EGEDRM C=CCCN(C)C(=O)N=c1[n-]nc(-c2cc3ccccc3o2)s1 ZINC000470509320 458636826 /nfs/dbraw/zinc/63/68/26/458636826.db2.gz KRXACERMDBZPTQ-UHFFFAOYSA-N -1 0 328.397 3.413 20 30 EGEDRM C=CCC(C)(C)C[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000432280940 458709409 /nfs/dbraw/zinc/70/94/09/458709409.db2.gz VICBCDZQFQMVBH-UHFFFAOYSA-N -1 0 325.327 3.124 20 30 EGEDRM CC(C)CN=c1[n-]nc(SCc2cn3ccccc3c2C#N)s1 ZINC000505089231 458740722 /nfs/dbraw/zinc/74/07/22/458740722.db2.gz KPRBVVMBEGVDHM-UHFFFAOYSA-N -1 0 343.481 3.445 20 30 EGEDRM CC(C)c1csc(C(C#N)=C([O-])c2nn(C)c3c2CCCC3)n1 ZINC000515368876 458808461 /nfs/dbraw/zinc/80/84/61/458808461.db2.gz UYOJQHVCFRMQOW-LBPRGKRZSA-N -1 0 328.441 3.369 20 30 EGEDRM N#Cc1cccc(NC(=O)N2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)c1 ZINC000555760413 458909535 /nfs/dbraw/zinc/90/95/35/458909535.db2.gz VFGLZPKOBQUWJE-IRXDYDNUSA-N -1 0 335.363 3.380 20 30 EGEDRM C=CCN=c1[n-]nc(SCCCc2nc3ccccc3[nH]2)s1 ZINC000519535204 458958360 /nfs/dbraw/zinc/95/83/60/458958360.db2.gz AMXFVBPSPLDNDY-UHFFFAOYSA-N -1 0 331.470 3.159 20 30 EGEDRM CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)no1 ZINC000476943712 459022722 /nfs/dbraw/zinc/02/27/22/459022722.db2.gz VECYLOMUMPSGKO-UHFFFAOYSA-N -1 0 339.804 3.298 20 30 EGEDRM CC(C)(C)OC(=O)NCC1(CN=Nc2ccc(C(=O)[O-])cc2)CC1 ZINC000496081092 459059565 /nfs/dbraw/zinc/05/95/65/459059565.db2.gz KEDBFLUWOUDNLV-UHFFFAOYSA-N -1 0 333.388 3.087 20 30 EGEDRM Cn1cc(C#N)c(=NC(=O)NCc2ccc(C3CCCCC3)cc2)[n-]1 ZINC000590121654 459088266 /nfs/dbraw/zinc/08/82/66/459088266.db2.gz SCVDUFKCUJDMPD-UHFFFAOYSA-N -1 0 337.427 3.083 20 30 EGEDRM C=CCOc1cccc(NC(=O)N[C@H](Cc2ccccc2)C(=O)[O-])c1 ZINC000567502582 459117116 /nfs/dbraw/zinc/11/71/16/459117116.db2.gz CUNGAZRHGNKSTR-QGZVFWFLSA-N -1 0 340.379 3.069 20 30 EGEDRM CC(C)(C)n1cc(C#N)c([N-]S(=O)(=O)c2cccc3ccoc32)n1 ZINC000577934016 459118428 /nfs/dbraw/zinc/11/84/28/459118428.db2.gz KXKKDCWITOMHGR-UHFFFAOYSA-N -1 0 344.396 3.057 20 30 EGEDRM C=CCCCCCN(C)C(=O)c1cc(C(=O)[O-])n(-c2ccccc2)n1 ZINC000567861304 459180908 /nfs/dbraw/zinc/18/09/08/459180908.db2.gz VRCVWYSTEDHZSC-UHFFFAOYSA-N -1 0 341.411 3.389 20 30 EGEDRM C=CCOCCSc1nc([O-])c(CC)c(=O)n1-c1ccccc1C ZINC000558825567 459215276 /nfs/dbraw/zinc/21/52/76/459215276.db2.gz OBGHSMYIYWVNJX-UHFFFAOYSA-N -1 0 346.452 3.104 20 30 EGEDRM C=CCC[C@H](NC(=O)c1cc(Br)cc(C)c1C)C(=O)[O-] ZINC000580659284 459263508 /nfs/dbraw/zinc/26/35/08/459263508.db2.gz NUMRGSBOZIHGGV-ZDUSSCGKSA-N -1 0 340.217 3.215 20 30 EGEDRM C=CCC[C@@H](NC(=O)Nc1cc(F)c(SC)c(F)c1)C(=O)[O-] ZINC000581532813 459274096 /nfs/dbraw/zinc/27/40/96/459274096.db2.gz FITHFADHEHYPPL-LLVKDONJSA-N -1 0 330.356 3.228 20 30 EGEDRM CC(C)(C)n1cc(C#N)c(=NC(=O)C2CC(c3ccc(F)cc3)C2)[n-]1 ZINC000590985151 459288317 /nfs/dbraw/zinc/28/83/17/459288317.db2.gz YDMGIMLGTIJBQE-UHFFFAOYSA-N -1 0 340.402 3.203 20 30 EGEDRM N#Cc1c(N2CCC(c3ccccc3C(=O)[O-])CC2)nc2ccccn12 ZINC000591327151 459355482 /nfs/dbraw/zinc/35/54/82/459355482.db2.gz ORUDJTLIYPHRNA-UHFFFAOYSA-N -1 0 346.390 3.288 20 30 EGEDRM CC(C)Oc1ccc(NC(=O)CC2(CC(=O)[O-])CCC2)cc1C#N ZINC000591530921 459396247 /nfs/dbraw/zinc/39/62/47/459396247.db2.gz GCMLLWUWQXUGOE-UHFFFAOYSA-N -1 0 330.384 3.319 20 30 EGEDRM C=C(C)[C@@H]1OCC[C@H]1CN=c1[n-]nc(Cc2ccc(F)cc2)s1 ZINC000569383818 459443750 /nfs/dbraw/zinc/44/37/50/459443750.db2.gz YXNMTKPQKKXIDD-BBRMVZONSA-N -1 0 333.432 3.083 20 30 EGEDRM C[C@](CNC(=O)CC1(C#N)CCCCC1)(C(=O)[O-])c1ccccc1 ZINC000595998801 459492784 /nfs/dbraw/zinc/49/27/84/459492784.db2.gz FMCXEWIIFPXTOB-GOSISDBHSA-N -1 0 328.412 3.009 20 30 EGEDRM N#Cc1ccc(CN=c2[n-]nc(Cc3ccc(F)cc3)s2)s1 ZINC000561983034 459498640 /nfs/dbraw/zinc/49/86/40/459498640.db2.gz URUIKYBOTCPRKY-UHFFFAOYSA-N -1 0 330.413 3.235 20 30 EGEDRM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1ccc(Cl)cc1C#N ZINC000596041897 459500763 /nfs/dbraw/zinc/50/07/63/459500763.db2.gz NTYOLANJTLFHFB-CYBMUJFWSA-N -1 0 330.837 3.014 20 30 EGEDRM C=C[C@@H]1OCC[C@H]1C(=O)Nc1cc(Cl)cc(Br)c1[O-] ZINC000569780635 459507822 /nfs/dbraw/zinc/50/78/22/459507822.db2.gz KCISDJJUAUOJMO-KCJUWKMLSA-N -1 0 346.608 3.338 20 30 EGEDRM C=C[C@H]1CCCCN1C(=O)N=c1[n-]nc(/C=C/c2ccco2)s1 ZINC000488941050 459555875 /nfs/dbraw/zinc/55/58/75/459555875.db2.gz LDKDDCIFFYETOZ-BCPZQOPPSA-N -1 0 330.413 3.296 20 30 EGEDRM CC(C)Cn1ncc(C([O-])=C(C#N)c2ccncn2)c1-c1ccccc1 ZINC000571235846 459566101 /nfs/dbraw/zinc/56/61/01/459566101.db2.gz UYXHMDVYFWWLTC-MRXNPFEDSA-N -1 0 345.406 3.486 20 30 EGEDRM Cc1cc([N-]S(=O)(=O)c2cccc(Cl)c2)c(C#N)cc1N(C)C ZINC000583924764 459619916 /nfs/dbraw/zinc/61/99/16/459619916.db2.gz VBJAWXTVEONZDU-UHFFFAOYSA-N -1 0 349.843 3.387 20 30 EGEDRM COc1cc(NS(=O)(=O)CCC(C)(C)C#N)c(Cl)c(OC)c1 ZINC000573211153 459643770 /nfs/dbraw/zinc/64/37/70/459643770.db2.gz FIUTVSMEHQDNSN-UHFFFAOYSA-N -1 0 346.836 3.039 20 30 EGEDRM N#CCCC1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000592817525 459697655 /nfs/dbraw/zinc/69/76/55/459697655.db2.gz ZBBQTYPZXVNTPT-UHFFFAOYSA-N -1 0 337.763 3.110 20 30 EGEDRM C=CCc1ccc(OCC(=O)Nc2cc(C(=O)[O-])cs2)c(OC)c1 ZINC000573662186 459713801 /nfs/dbraw/zinc/71/38/01/459713801.db2.gz ANZCQJQHXTZUDD-UHFFFAOYSA-N -1 0 347.392 3.201 20 30 EGEDRM C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)n[n-]c1=Nc1cccc(OC)c1 ZINC000574094908 459778887 /nfs/dbraw/zinc/77/88/87/459778887.db2.gz MHRDVHWPFBTQIV-XJKSGUPXSA-N -1 0 328.416 3.126 20 30 EGEDRM N#Cc1c2c(sc1NC(=O)c1cn(C3CC3)nn1)CCCCCC2 ZINC000602247986 459877534 /nfs/dbraw/zinc/87/75/34/459877534.db2.gz WFMUXZFSDQTNHZ-UHFFFAOYSA-N -1 0 341.440 3.457 20 30 EGEDRM N#CCc1ccc(C(=O)N2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)[O-])cc1 ZINC000598660551 459983200 /nfs/dbraw/zinc/98/32/00/459983200.db2.gz ASGSTJKHQFGKOZ-ZWKOTPCHSA-N -1 0 340.423 3.248 20 30 EGEDRM CC(C)(C)c1cc([N-]S(=O)(=O)c2cccc(Cl)c2C#N)n[nH]1 ZINC000609848818 460028134 /nfs/dbraw/zinc/02/81/34/460028134.db2.gz IEXAEUOMEPULCZ-UHFFFAOYSA-N -1 0 338.820 3.033 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3scnc3c2)c(F)c1 ZINC000610057768 460055983 /nfs/dbraw/zinc/05/59/83/460055983.db2.gz SLZPWCHFUBJDTQ-UHFFFAOYSA-N -1 0 333.369 3.108 20 30 EGEDRM CCOC(=O)c1[nH]c(C)c(C([O-])=C(C#N)c2nc(C)cs2)c1C ZINC000603835283 460345218 /nfs/dbraw/zinc/34/52/18/460345218.db2.gz LHSPLIDWCVPUBQ-NSHDSACASA-N -1 0 331.397 3.063 20 30 EGEDRM C=CCN=c1[n-]nc(SCC(=O)c2cc(C)c(F)c(C)c2)s1 ZINC000607436727 460844591 /nfs/dbraw/zinc/84/45/91/460844591.db2.gz JEGYDLQTGUEGHR-UHFFFAOYSA-N -1 0 337.445 3.289 20 30 EGEDRM Cc1[n-]n(-c2nc(-c3ccc(Cl)cc3)no2)c(=O)c1CCC#N ZINC000601939883 460953036 /nfs/dbraw/zinc/95/30/36/460953036.db2.gz PCVYXFFNEDLHBE-LBPRGKRZSA-N -1 0 329.747 3.032 20 30 EGEDRM CC(C)C[C@](C)(CC(=O)[O-])C(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000601980904 460968715 /nfs/dbraw/zinc/96/87/15/460968715.db2.gz BLCJGSJINATKMF-QGZVFWFLSA-N -1 0 336.819 3.355 20 30 EGEDRM C=C(C)C[C@H](NC(=O)[C@@H](C)c1ccc(Br)s1)C(=O)[O-] ZINC000630325823 461095459 /nfs/dbraw/zinc/09/54/59/461095459.db2.gz MJEKWCDDAOUTMP-IUCAKERBSA-N -1 0 346.246 3.150 20 30 EGEDRM Cc1ccc(C([O-])=C(C#N)c2nnc3n2CCCCC3)c(F)c1F ZINC000633900463 461320156 /nfs/dbraw/zinc/32/01/56/461320156.db2.gz PUWHDCARFUZOKC-GFCCVEGCSA-N -1 0 330.338 3.081 20 30 EGEDRM Cc1c(C([O-])=C(C#N)c2nc(C3CC3)cs2)nnn1-c1ccccc1 ZINC000647377415 461666734 /nfs/dbraw/zinc/66/67/34/461666734.db2.gz HNZPBONLMDJLNO-AWEZNQCLSA-N -1 0 349.419 3.400 20 30 EGEDRM N#CC(=C([O-])c1cnn2c1CCC2)c1nc2cc(F)ccc2s1 ZINC000651639408 462286300 /nfs/dbraw/zinc/28/63/00/462286300.db2.gz VIRITVMJNDOTGB-JTQLQIEISA-N -1 0 326.356 3.068 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2ccc(-c3ccccc3F)o2)C(=O)O1 ZINC000023990224 520852585 /nfs/dbraw/zinc/85/25/85/520852585.db2.gz KBQLHJXEGQPKSS-IWHGQQBYSA-N -1 0 340.306 3.314 20 30 EGEDRM C=CC[C@@H](C(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1)c1ccccc1 ZINC000681656259 550023324 /nfs/dbraw/zinc/02/33/24/550023324.db2.gz ACFPMURPNGKPAV-MRXNPFEDSA-N -1 0 335.363 3.328 20 30 EGEDRM C=CCOc1cccc(NC(=O)N[C@@H](C(=O)[O-])c2ccccc2F)c1 ZINC000684747126 550364399 /nfs/dbraw/zinc/36/43/99/550364399.db2.gz OQMWTBVPSJQZSU-MRXNPFEDSA-N -1 0 344.342 3.338 20 30 EGEDRM COc1ccc(O)c(C=Nc2cccc(CSCC(=O)[O-])c2)c1 ZINC000738042364 574552485 /nfs/dbraw/zinc/55/24/85/574552485.db2.gz RVGDOSYLKOZDJI-UHFFFAOYSA-N -1 0 331.393 3.469 20 30 EGEDRM CC(C)N1c2ccccc2C(=N[N-]c2nc(-c3ccccc3)no2)C1=O ZINC000726739965 574569160 /nfs/dbraw/zinc/56/91/60/574569160.db2.gz ZBPCUQLWDDIDBI-UHFFFAOYSA-N -1 0 347.378 3.308 20 30 EGEDRM C[C@@H]1CCc2c(sc(NC(=O)c3ccc(C#N)cn3)c2C(=O)[O-])C1 ZINC000737754436 574855285 /nfs/dbraw/zinc/85/52/85/574855285.db2.gz QJMUEYUYQMOFNC-SECBINFHSA-N -1 0 341.392 3.090 20 30 EGEDRM N#Cc1ccc(NN=Cc2ccc(OC(F)(F)C(=O)[O-])cc2)cc1 ZINC000730728436 575013362 /nfs/dbraw/zinc/01/33/62/575013362.db2.gz WFNWQBHWGNNVSW-UHFFFAOYSA-N -1 0 331.278 3.060 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@H](C)c2ccccc2F)n1 ZINC000731390136 575071835 /nfs/dbraw/zinc/07/18/35/575071835.db2.gz LDRVQOYHBYVROD-YPMHNXCESA-N -1 0 346.383 3.114 20 30 EGEDRM C=CCN(Cc1ccccc1F)C(=O)c1n[n-]c2ccccc2c1=O ZINC000731870653 575213911 /nfs/dbraw/zinc/21/39/11/575213911.db2.gz SMVXRJVIJDRKND-UHFFFAOYSA-N -1 0 337.354 3.303 20 30 EGEDRM CCc1nn(C)c(Cl)c1C=NNc1ccc(Cl)c(C(=O)[O-])c1 ZINC000734744843 575548064 /nfs/dbraw/zinc/54/80/64/575548064.db2.gz YGTGEVUCDRMEAN-UHFFFAOYSA-N -1 0 341.198 3.434 20 30 EGEDRM C#Cc1cccc(N(Cc2ccccc2)C(=O)CCCNC(=O)[O-])c1 ZINC000736090772 575898580 /nfs/dbraw/zinc/89/85/80/575898580.db2.gz KLWVBBDKYWCVOA-UHFFFAOYSA-N -1 0 336.391 3.249 20 30 EGEDRM C=CCOc1cccc(NC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)c1 ZINC000736114076 575900338 /nfs/dbraw/zinc/90/03/38/575900338.db2.gz LRKQUNSMDZVRBH-UHFFFAOYSA-N -1 0 338.363 3.497 20 30 EGEDRM C[C@H](C#N)CSc1ccccc1NC(=O)c1cccc(C(=O)[O-])n1 ZINC000736200679 575914322 /nfs/dbraw/zinc/91/43/22/575914322.db2.gz CMVLLRHISNPMRO-LLVKDONJSA-N -1 0 341.392 3.284 20 30 EGEDRM C[C@@H]1C[C@@H]1NC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000736765590 576023683 /nfs/dbraw/zinc/02/36/83/576023683.db2.gz LSEYLLDGPTXVTH-ACJLOTCBSA-N -1 0 334.375 3.315 20 30 EGEDRM CCOc1ccc(C[C@H](CNc2cccc(F)c2C#N)C(=O)[O-])cc1 ZINC000737204942 576135924 /nfs/dbraw/zinc/13/59/24/576135924.db2.gz FEZJTEJFYFMBFT-CQSZACIVSA-N -1 0 342.370 3.451 20 30 EGEDRM CN(Cc1ccc(Br)o1)[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737450817 576231492 /nfs/dbraw/zinc/23/14/92/576231492.db2.gz DKSQAASHUYHABF-AWEZNQCLSA-N -1 0 349.184 3.171 20 30 EGEDRM CN(Cc1ccc(C#N)cc1)c1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000737451482 576231649 /nfs/dbraw/zinc/23/16/49/576231649.db2.gz NVIIYGKIFXHMCM-UHFFFAOYSA-N -1 0 345.742 3.454 20 30 EGEDRM C=CCOc1ccccc1CNC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000737532353 576241429 /nfs/dbraw/zinc/24/14/29/576241429.db2.gz GGZIUMZZTJFDCE-UHFFFAOYSA-N -1 0 340.379 3.200 20 30 EGEDRM CON=Cc1ccc(C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)cc1 ZINC000737840315 576266708 /nfs/dbraw/zinc/26/67/08/576266708.db2.gz WWKYOGQDLHBUBD-UHFFFAOYSA-N -1 0 331.303 3.148 20 30 EGEDRM COc1ccc([C@H](CC(=O)[O-])/N=C/c2ccccc2O)cc1OC ZINC000737945986 576275400 /nfs/dbraw/zinc/27/54/00/576275400.db2.gz FPLPYYGTOKERNU-YRIIZNAFSA-N -1 0 329.352 3.044 20 30 EGEDRM COc1ccc(CNc2c(C#N)cnc3c(C)cccc32)cc1C(=O)[O-] ZINC000738008474 576280333 /nfs/dbraw/zinc/28/03/33/576280333.db2.gz KYIRRKLDTMVKLA-UHFFFAOYSA-N -1 0 347.374 3.156 20 30 EGEDRM CSc1ccc([C@@H](CC(=O)[O-])/N=C\c2cccc(O)c2O)cc1 ZINC000738198838 576298827 /nfs/dbraw/zinc/29/88/27/576298827.db2.gz GDLHGAKUVLYNKU-FNHQQPGVSA-N -1 0 331.393 3.455 20 30 EGEDRM Cc1cc(CON=Cc2c(Cl)nc3ccccn23)oc1C(=O)[O-] ZINC000738395778 576321089 /nfs/dbraw/zinc/32/10/89/576321089.db2.gz XCEMLQYYOAYPJR-UHFFFAOYSA-N -1 0 333.731 3.138 20 30 EGEDRM N#CC1(C(=O)N2CCC([C@@H](CC(=O)[O-])c3ccccc3)CC2)CCC1 ZINC000738421420 576323745 /nfs/dbraw/zinc/32/37/45/576323745.db2.gz CSKGVCILFHUFCN-KRWDZBQOSA-N -1 0 340.423 3.177 20 30 EGEDRM N#Cc1ccc(Oc2cccc(C(=O)OCCCC(=O)[O-])c2)cc1 ZINC000738435174 576325776 /nfs/dbraw/zinc/32/57/76/576325776.db2.gz VPYWHMZNHCNHFS-UHFFFAOYSA-N -1 0 325.320 3.372 20 30 EGEDRM N#CCCCOc1cccnc1NC(=O)c1cccc(NC(=O)[O-])c1 ZINC000739073651 576376879 /nfs/dbraw/zinc/37/68/79/576376879.db2.gz XYEZZBHFWGVFDA-UHFFFAOYSA-N -1 0 340.339 3.106 20 30 EGEDRM N#CCCN(C(=O)c1cccc(NC(=O)[O-])c1)c1ccc(F)cc1 ZINC000739073456 576376891 /nfs/dbraw/zinc/37/68/91/576376891.db2.gz SAWSSEMHKYIRNV-UHFFFAOYSA-N -1 0 327.315 3.476 20 30 EGEDRM N#CC(C(=O)CCSCC(=O)[O-])c1nc(-c2ccccc2)cs1 ZINC000739075293 576376894 /nfs/dbraw/zinc/37/68/94/576376894.db2.gz RCQIKIJUYFNVNQ-LBPRGKRZSA-N -1 0 346.433 3.194 20 30 EGEDRM N#Cc1ccc([C@@H](OC(=O)[C@@H]2CSc3ccccc32)C(=O)[O-])cc1 ZINC000739110449 576378426 /nfs/dbraw/zinc/37/84/26/576378426.db2.gz QIXIKDJOXWJXPZ-GDBMZVCRSA-N -1 0 339.372 3.117 20 30 EGEDRM N#Cc1ccc([C@H](Nc2cccc(Cn3cccn3)c2)C(=O)[O-])cc1 ZINC000739112297 576378580 /nfs/dbraw/zinc/37/85/80/576378580.db2.gz YUUHKVAPFSQSBO-SFHVURJKSA-N -1 0 332.363 3.041 20 30 EGEDRM N#Cc1cccc(C(=O)NCc2c3ccccc3sc2C(=O)[O-])c1 ZINC000739132234 576379240 /nfs/dbraw/zinc/37/92/40/576379240.db2.gz HFEDBFDJAFKXNA-UHFFFAOYSA-N -1 0 336.372 3.401 20 30 EGEDRM N#Cc1ccc(SCC(=O)OCc2ccc(F)cc2C(=O)[O-])cc1 ZINC000739133015 576379404 /nfs/dbraw/zinc/37/94/04/576379404.db2.gz YBKXHVLTJQFFHL-UHFFFAOYSA-N -1 0 345.351 3.231 20 30 EGEDRM N#Cc1cccc(CN2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)c1 ZINC000739134280 576379442 /nfs/dbraw/zinc/37/94/42/576379442.db2.gz ZUGNAUIMJWZBHJ-UHFFFAOYSA-N -1 0 331.375 3.296 20 30 EGEDRM N#Cc1ccccc1/C=C\C(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000739140225 576379534 /nfs/dbraw/zinc/37/95/34/576379534.db2.gz QIWHAQUYZYAMDC-CGQZWFTASA-N -1 0 325.295 3.080 20 30 EGEDRM N#Cc1ccccc1Oc1ccc(NC(=O)CCCNC(=O)[O-])cc1 ZINC000739141877 576379536 /nfs/dbraw/zinc/37/95/36/576379536.db2.gz BRRUAPBLKIYFKJ-UHFFFAOYSA-N -1 0 339.351 3.337 20 30 EGEDRM O=C([O-])COc1ccc(C(=O)/C=C\C2=Cc3ccccc3OC2)cc1 ZINC000739819887 576507521 /nfs/dbraw/zinc/50/75/21/576507521.db2.gz ZZHZTBLTUAHKOS-YHYXMXQVSA-N -1 0 336.343 3.365 20 30 EGEDRM O=C([O-])c1ccc(/C=C2\Oc3ccc(Br)cc3C2=O)o1 ZINC000740122447 576551401 /nfs/dbraw/zinc/55/14/01/576551401.db2.gz FEMGGHSATCEKLW-SDQBBNPISA-N -1 0 335.109 3.357 20 30 EGEDRM CC(C)(C)OC(=O)NC[C@H]1CCCC1N=Nc1ccccc1C(=O)[O-] ZINC000741760137 576718172 /nfs/dbraw/zinc/71/81/72/576718172.db2.gz SVFJTSHINDYYCG-GFCCVEGCSA-N -1 0 347.415 3.478 20 30 EGEDRM COc1ccc2c(c1)C(=O)/C(=C/c1ccc(OCC(=O)[O-])cc1)CC2 ZINC000741847601 576727195 /nfs/dbraw/zinc/72/71/95/576727195.db2.gz IJUPRTVRFLOSDQ-XNTDXEJSSA-N -1 0 338.359 3.371 20 30 EGEDRM COc1c(O)cccc1/C=C\C(=O)c1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000745021115 576838691 /nfs/dbraw/zinc/83/86/91/576838691.db2.gz MJJBJZQDNUSNMW-PRDAAYKISA-N -1 0 342.347 3.149 20 30 EGEDRM CC(C)[C@@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)C(=O)[O-] ZINC000817728027 597205121 /nfs/dbraw/zinc/20/51/21/597205121.db2.gz XVKGHQGJRBXTNO-BXUZGUMPSA-N -1 0 335.429 3.169 20 30 EGEDRM C[C@H](C(=O)[O-])N(C)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 ZINC000817762401 597464216 /nfs/dbraw/zinc/46/42/16/597464216.db2.gz LOLPJMHXKMAEHQ-CYBMUJFWSA-N -1 0 338.363 3.090 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)OCc1ccc(-c2ccccc2C#N)cc1 ZINC000819875198 597618622 /nfs/dbraw/zinc/61/86/22/597618622.db2.gz VKXVOEZPTJLUFN-HXUWFJFHSA-N -1 0 348.358 3.273 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000819821416 597631301 /nfs/dbraw/zinc/63/13/01/597631301.db2.gz GBRRGPGHSPTCJV-GHTZIAJQSA-N -1 0 348.402 3.165 20 30 EGEDRM COc1cc(NC(C)=O)ccc1C(=O)/C=C\c1cccc(C(=O)[O-])c1 ZINC000774134869 598201699 /nfs/dbraw/zinc/20/16/99/598201699.db2.gz GRBLQLDJBNNHPP-TWGQIWQCSA-N -1 0 339.347 3.248 20 30 EGEDRM COc1cc(NC(C)=O)ccc1C(=O)/C=C/c1cccc(C(=O)[O-])c1 ZINC000774134868 598201717 /nfs/dbraw/zinc/20/17/17/598201717.db2.gz GRBLQLDJBNNHPP-RMKNXTFCSA-N -1 0 339.347 3.248 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1nc(/C=C/c2ccccc2)cs1 ZINC000819865683 598227828 /nfs/dbraw/zinc/22/78/28/598227828.db2.gz NGQBRYUSMQZUHQ-OZSKJFCKSA-N -1 0 341.392 3.257 20 30 EGEDRM CC[C@@H]1CN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC[C@H]1c1ccccc1 ZINC000820297269 598229289 /nfs/dbraw/zinc/22/92/89/598229289.db2.gz QYVFJMWZXKMFCM-OGWOLHLISA-N -1 0 328.412 3.033 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1CCc2cc(-c3ccccc3)ccc21 ZINC000819822981 598230580 /nfs/dbraw/zinc/23/05/80/598230580.db2.gz QUUIJRSBKPONDW-HXUWFJFHSA-N -1 0 334.375 3.247 20 30 EGEDRM C=CCn1c(Cc2ccccc2)nnc1SC/C=C(\C)C(=O)[O-] ZINC000825711290 600726820 /nfs/dbraw/zinc/72/68/20/600726820.db2.gz XUGLVHPUNRCNJO-UKTHLTGXSA-N -1 0 329.425 3.178 20 30 EGEDRM C[C@H](NC(=O)N(C)Cc1ccc(C(=O)[O-])cc1)c1cccc(C#N)c1 ZINC000827644684 600779343 /nfs/dbraw/zinc/77/93/43/600779343.db2.gz FGVBEQYASNCJCA-ZDUSSCGKSA-N -1 0 337.379 3.159 20 30 EGEDRM N#CC1CCN(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)CC1 ZINC000833061727 600821434 /nfs/dbraw/zinc/82/14/34/600821434.db2.gz GKHYNTRCGXCMKQ-UHFFFAOYSA-N -1 0 327.409 3.244 20 30 EGEDRM C=CCn1nnnc1S[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000825710975 600837123 /nfs/dbraw/zinc/83/71/23/600837123.db2.gz JQKANBKOVMKUGA-JTQLQIEISA-N -1 0 345.211 3.084 20 30 EGEDRM C[C@H](NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F)c1cccc(C#N)c1 ZINC000827664419 601012611 /nfs/dbraw/zinc/01/26/11/601012611.db2.gz HBPKQMGXUZIRHM-VIFPVBQESA-N -1 0 345.305 3.417 20 30 EGEDRM N#Cc1ccsc1C(=O)N1C[C@H](C2CCCCC2)C[C@H]1C(=O)[O-] ZINC000833076321 601084651 /nfs/dbraw/zinc/08/46/51/601084651.db2.gz BTGHHVLSRLXXJD-KGLIPLIRSA-N -1 0 332.425 3.115 20 30 EGEDRM N#Cc1ccc(C(=O)N2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)[O-])cc1 ZINC000833070425 601085445 /nfs/dbraw/zinc/08/54/45/601085445.db2.gz FZKYNJMJBWKQNN-DLBZAZTESA-N -1 0 326.396 3.054 20 30 EGEDRM C[C@H](ON=Cc1ccc(C(=O)[O-])cc1)C(=O)Nc1ccc(F)c(F)c1 ZINC000827879941 601220115 /nfs/dbraw/zinc/22/01/15/601220115.db2.gz WLTVBVVOKMMBGW-JTQLQIEISA-N -1 0 348.305 3.041 20 30 EGEDRM O=C([O-])c1ccc(/C=C2\Cc3ccc(OC(F)(F)F)cc3C2=O)[nH]1 ZINC000833312029 601332843 /nfs/dbraw/zinc/33/28/43/601332843.db2.gz HZLNBVBIJVOGDV-RMKNXTFCSA-N -1 0 337.253 3.434 20 30 EGEDRM N#Cc1cccc([C@H](OC(=O)c2cc3c(cccc3F)[nH]2)C(=O)[O-])c1 ZINC000833077276 601348699 /nfs/dbraw/zinc/34/86/99/601348699.db2.gz OHFBJPVVZJHINN-INIZCTEOSA-N -1 0 338.294 3.161 20 30 EGEDRM C/C(=C/C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(F)cc1 ZINC000825724866 601350698 /nfs/dbraw/zinc/35/06/98/601350698.db2.gz WJRYQDQMOKWFOP-DVESRUBUSA-N -1 0 339.322 3.470 20 30 EGEDRM C/C(=C\C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1)c1cccc(F)c1 ZINC000825723872 601352576 /nfs/dbraw/zinc/35/25/76/601352576.db2.gz CRQJBWJIWGAFBJ-HCWHUNCVSA-N -1 0 339.322 3.470 20 30 EGEDRM CN(Cc1nc2c(s1)CCCC2)[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000830875119 601356401 /nfs/dbraw/zinc/35/64/01/601356401.db2.gz VQZXFDDYUYSUJU-KRWDZBQOSA-N -1 0 341.436 3.151 20 30 EGEDRM Cc1nn(-c2ccccc2)c(C)c1C(=O)/C=C/c1ccc(C(=O)[O-])[nH]1 ZINC000833011630 601445547 /nfs/dbraw/zinc/44/55/47/601445547.db2.gz NCRGAPXLYXOPBQ-PKNBQFBNSA-N -1 0 335.363 3.412 20 30 EGEDRM C[C@H](CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)C(=O)[O-] ZINC000827486369 601617433 /nfs/dbraw/zinc/61/74/33/601617433.db2.gz NEMXYOJMQSYMGH-CXAGYDPISA-N -1 0 337.379 3.184 20 30 EGEDRM N#Cc1ccc(CC(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)cc1 ZINC000833072925 601620291 /nfs/dbraw/zinc/62/02/91/601620291.db2.gz SVOQQRMPBYCXFN-INIZCTEOSA-N -1 0 342.782 3.086 20 30 EGEDRM C[C@H]1CN(C(=O)c2ccccc2-c2ccccc2C#N)C[C@H]1C(=O)[O-] ZINC000828400935 601703835 /nfs/dbraw/zinc/70/38/35/601703835.db2.gz DEDIXYHAFGMIKQ-SCLBCKFNSA-N -1 0 334.375 3.018 20 30 EGEDRM O=C([O-])c1cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c[nH]1 ZINC000814697398 601795769 /nfs/dbraw/zinc/79/57/69/601795769.db2.gz MJHVCKMPUZGQRW-UHFFFAOYSA-N -1 0 342.233 3.086 20 30 EGEDRM N#CCOc1ccccc1C(=O)Nc1scc(C2CC2)c1C(=O)[O-] ZINC000833068088 601808406 /nfs/dbraw/zinc/80/84/06/601808406.db2.gz PALCHTQGXFPOJY-UHFFFAOYSA-N -1 0 342.376 3.478 20 30 EGEDRM N#Cc1ccccc1OCC(=O)Nc1scc(C2CC2)c1C(=O)[O-] ZINC000833075732 601809440 /nfs/dbraw/zinc/80/94/40/601809440.db2.gz VSZQUBZKFWMGDK-UHFFFAOYSA-N -1 0 342.376 3.213 20 30 EGEDRM C[C@]1(C(=O)[O-])CCN(C(=O)Nc2cccc(C#Cc3ccccc3)c2)C1 ZINC000828007455 601986152 /nfs/dbraw/zinc/98/61/52/601986152.db2.gz CCEMEXDBHLBJEU-NRFANRHFSA-N -1 0 348.402 3.415 20 30 EGEDRM CC(C)[C@](C)(C#N)NC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000826676731 601991898 /nfs/dbraw/zinc/99/18/98/601991898.db2.gz KEPJDZTVBLGTCK-AWEZNQCLSA-N -1 0 343.305 3.463 20 30 EGEDRM C=CCC(CC=C)C(=O)N(C)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000825659865 602007194 /nfs/dbraw/zinc/00/71/94/602007194.db2.gz JKFLVZDURMFQAY-HNNXBMFYSA-N -1 0 341.329 3.456 20 30 EGEDRM CC1CC(C#N)(C(=O)NCc2c3ccccc3sc2C(=O)[O-])C1 ZINC000828151360 602027111 /nfs/dbraw/zinc/02/71/11/602027111.db2.gz WCITZXGVCGJAHS-UHFFFAOYSA-N -1 0 328.393 3.156 20 30 EGEDRM N#Cc1cc(NC(=O)N[C@H]2CCCCCC[C@H]2C(=O)[O-])ccc1F ZINC000833069840 602038103 /nfs/dbraw/zinc/03/81/03/602038103.db2.gz UYHZPUAQKXNBPG-HIFRSBDPSA-N -1 0 333.363 3.242 20 30 EGEDRM COc1ccc(C(=O)/C=C\c2ccc(O[C@H](C)C(=O)[O-])cc2)cc1 ZINC000794692845 602105460 /nfs/dbraw/zinc/10/54/60/602105460.db2.gz YDKCPZNNAPBEMW-QWGHSUKYSA-N -1 0 326.348 3.443 20 30 EGEDRM C=CCn1c(S[C@H](CC)C(=O)[O-])nnc1-c1cccc(OC)c1 ZINC000825710854 602242747 /nfs/dbraw/zinc/24/27/47/602242747.db2.gz DSXMHRLYWFOMTM-CYBMUJFWSA-N -1 0 333.413 3.095 20 30 EGEDRM C[C@@H](NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)C(=O)[O-] ZINC000737689029 602251759 /nfs/dbraw/zinc/25/17/59/602251759.db2.gz JHMWXTUOHSWMHM-SNVBAGLBSA-N -1 0 344.754 3.207 20 30 EGEDRM CCNc1ccc(C#N)cc1NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000829808962 602388661 /nfs/dbraw/zinc/38/86/61/602388661.db2.gz KDSPZWYEQSPLQE-UHFFFAOYSA-N -1 0 337.379 3.260 20 30 EGEDRM N#Cc1ccccc1Oc1ccc(NC(=O)CCNC(=O)[O-])cc1F ZINC000831156526 603230690 /nfs/dbraw/zinc/23/06/90/603230690.db2.gz AYDKWLYWDCSBPF-UHFFFAOYSA-N -1 0 343.314 3.086 20 30 EGEDRM C=CCN(Cc1cccs1)C(=O)NCCc1cccc(C(=O)[O-])c1 ZINC000833376376 604602205 /nfs/dbraw/zinc/60/22/05/604602205.db2.gz USXZOISKEMTBPM-UHFFFAOYSA-N -1 0 344.436 3.387 20 30 EGEDRM CN(Cc1ccc(Br)o1)Cc1cccc(C(=O)[O-])c1C#N ZINC000833694316 604602848 /nfs/dbraw/zinc/60/28/48/604602848.db2.gz PWNGUFBNAFYWBU-UHFFFAOYSA-N -1 0 349.184 3.244 20 30 EGEDRM COc1cc(OC)c(OC)cc1/C=C\C(=O)c1ccc(C(=O)[O-])cc1 ZINC000832034610 604627097 /nfs/dbraw/zinc/62/70/97/604627097.db2.gz ZTOCQGKDIRQHJY-HJWRWDBZSA-N -1 0 342.347 3.307 20 30 EGEDRM O=C([O-])c1ccc(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)cc1 ZINC000833309654 604627862 /nfs/dbraw/zinc/62/78/62/604627862.db2.gz DOCNDZPFJQVECZ-XCVCLJGOSA-N -1 0 337.375 3.118 20 30 EGEDRM Cn1cc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2)c(-c2ccncc2)n1 ZINC000833044379 604628271 /nfs/dbraw/zinc/62/82/71/604628271.db2.gz XKWXWCQORTVNPR-VOTSOKGWSA-N -1 0 333.347 3.076 20 30 EGEDRM COc1cc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2)cc2c1OCCO2 ZINC000831976332 604629881 /nfs/dbraw/zinc/62/98/81/604629881.db2.gz MUWMCOMBAJTBRH-FARCUNLSSA-N -1 0 340.331 3.061 20 30 EGEDRM CC(C)Oc1ccc(NC(=O)N2CCC(CC(=O)[O-])CC2)cc1C#N ZINC000827054341 604639304 /nfs/dbraw/zinc/63/93/04/604639304.db2.gz HRBHOFCVFIGADP-UHFFFAOYSA-N -1 0 345.399 3.064 20 30 EGEDRM CC(C)(C#N)c1ccccc1COC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000826080817 604690960 /nfs/dbraw/zinc/69/09/60/604690960.db2.gz GGYZGNUUEIEIEO-UONOGXRCSA-N -1 0 329.396 3.422 20 30 EGEDRM C=CCc1cc(-c2nc3cc(C(=O)[O-])ccc3n2C)cc(OC)c1O ZINC000833377796 604711389 /nfs/dbraw/zinc/71/13/89/604711389.db2.gz BILNQSIVZHYTHL-UHFFFAOYSA-N -1 0 338.363 3.381 20 30 EGEDRM C[C@H](Oc1ccc(/C=C/C(=O)c2ccc(Cl)nc2)cc1)C(=O)[O-] ZINC000794703595 604743638 /nfs/dbraw/zinc/74/36/38/604743638.db2.gz TYSNZQUCNCHAIV-VUQUXZKVSA-N -1 0 331.755 3.483 20 30 EGEDRM CC(C)c1ncc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)s1 ZINC000827158190 604840295 /nfs/dbraw/zinc/84/02/95/604840295.db2.gz AGTVPRZFBVLSSW-ZDUSSCGKSA-N -1 0 330.365 3.121 20 30 EGEDRM N#C[C@H](COC(=O)c1ccc(C(=O)[O-])c(F)c1)Cc1ccc(F)cc1 ZINC000833063412 604883916 /nfs/dbraw/zinc/88/39/16/604883916.db2.gz JXRDZAFFLPTTQI-GFCCVEGCSA-N -1 0 345.301 3.202 20 30 EGEDRM C[C@@H](COc1cccc(C#N)c1)OC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000827524880 604885075 /nfs/dbraw/zinc/88/50/75/604885075.db2.gz MLFIHNWWDJAQMG-NSHDSACASA-N -1 0 343.310 3.020 20 30 EGEDRM C#CC[C@@H](NC(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1)c1ccccc1 ZINC000833360086 604921029 /nfs/dbraw/zinc/92/10/29/604921029.db2.gz BVNFWSXWJZCPSN-OAHLLOKOSA-N -1 0 348.362 3.147 20 30 EGEDRM C=CCOc1cccnc1C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000833378512 605084449 /nfs/dbraw/zinc/08/44/49/605084449.db2.gz IEQFBVUKSKIWOI-UHFFFAOYSA-N -1 0 331.303 3.128 20 30 EGEDRM CC(N=Nc1cccc(S(C)(=O)=O)c1)[C@H](C)CCCCC(=O)[O-] ZINC000814896156 605122087 /nfs/dbraw/zinc/12/20/87/605122087.db2.gz LQKBESIILSAOKL-GFCCVEGCSA-N -1 0 340.445 3.159 20 30 EGEDRM CC(C)(C#N)CNC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000833412705 605138048 /nfs/dbraw/zinc/13/80/48/605138048.db2.gz FJDVEAUTBVPCSL-UHFFFAOYSA-N -1 0 329.278 3.075 20 30 EGEDRM C=CCCC[C@@H](C)NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000398079501 605250156 /nfs/dbraw/zinc/25/01/56/605250156.db2.gz QNAORZRGYUQQDS-SNVBAGLBSA-N -1 0 331.821 3.061 20 30 EGEDRM C[C@H](C#N)Oc1ccccc1NCc1ccc(OCC(=O)[O-])cc1 ZINC000833402476 605309708 /nfs/dbraw/zinc/30/97/08/605309708.db2.gz NOLQPLMZYQLHLL-CYBMUJFWSA-N -1 0 326.352 3.053 20 30 EGEDRM Cc1nc(-c2nnn[n-]2)c(N=NC(C)c2ccc(-c3ccccc3)o2)o1 ZINC000819782023 606701069 /nfs/dbraw/zinc/70/10/69/606701069.db2.gz HXMQVDHLCQAJSF-UHFFFAOYSA-N -1 0 349.354 3.259 20 30 EGEDRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N(CCC#N)CC(C)C)n1 ZINC000751361004 1299542188 /nfs/dbraw/zinc/54/21/88/1299542188.db2.gz LRJJQGUMXXYFOY-UHFFFAOYSA-N -1 0 344.390 3.037 20 30 EGEDRM CCCCCC(N=Nc1nc2c(cnn2C)c(=O)[n-]1)c1ccccc1 ZINC000769818060 1303180414 /nfs/dbraw/zinc/18/04/14/1303180414.db2.gz DXSKEAHTRCKKHT-UHFFFAOYSA-N -1 0 338.415 3.465 20 30 EGEDRM O=C([N-]S(=O)(=O)c1ccccc1)c1ccc(-n2cccc2)cc1 ZINC000042232359 1291437077 /nfs/dbraw/zinc/43/70/77/1291437077.db2.gz OKNCOVHGCHLCTN-UHFFFAOYSA-N -1 0 326.377 3.171 20 30 EGEDRM Cc1ccc(SCC(=O)[N-]S(=O)(=O)c2cccs2)cc1 ZINC000042244379 1291438469 /nfs/dbraw/zinc/43/84/69/1291438469.db2.gz BPZSHQUFXAVROW-UHFFFAOYSA-N -1 0 327.452 3.494 20 30 EGEDRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)CSc1ccc(C)cc1 ZINC000042291917 1291439440 /nfs/dbraw/zinc/43/94/40/1291439440.db2.gz CVUZMYOLKWLEMA-UHFFFAOYSA-N -1 0 340.426 3.037 20 30 EGEDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)c1cccc(OC(F)F)c1 ZINC000046927911 1291556374 /nfs/dbraw/zinc/55/63/74/1291556374.db2.gz FMSNNCXJRVAIPV-UHFFFAOYSA-N -1 0 341.335 3.290 20 30 EGEDRM O=C([N-]S(=O)(=O)c1cccs1)c1ccccc1OC(F)F ZINC000048427591 1291604902 /nfs/dbraw/zinc/60/49/02/1291604902.db2.gz LEWMGZAWZOIUKW-UHFFFAOYSA-N -1 0 333.337 3.043 20 30 EGEDRM CCOCCCC(=O)[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000048515008 1291607868 /nfs/dbraw/zinc/60/78/68/1291607868.db2.gz RTXAEPNLRVROFF-UHFFFAOYSA-N -1 0 339.335 3.167 20 30 EGEDRM CC(C)c1noc(CCC(=O)[N-]S(=O)(=O)C=Cc2ccccc2)n1 ZINC000048530742 1291609648 /nfs/dbraw/zinc/60/96/48/1291609648.db2.gz XWIVHDPXOKQQKT-ZHACJKMWSA-N -1 0 349.412 3.083 20 30 EGEDRM CC[C@H](C)c1ccccc1OCC(=O)[N-]S(=O)(=O)c1cccnc1 ZINC000048532371 1291610094 /nfs/dbraw/zinc/61/00/94/1291610094.db2.gz NHFCLIIKHZHVKS-ZDUSSCGKSA-N -1 0 348.424 3.319 20 30 EGEDRM O=C([N-]S(=O)(=O)C1=Cc2ccccc2CC1)c1ccnc(Cl)c1 ZINC000058042517 1291875262 /nfs/dbraw/zinc/87/52/62/1291875262.db2.gz DNEZZARPUVQIOX-UHFFFAOYSA-N -1 0 348.811 3.357 20 30 EGEDRM CCOc1ccc(CC(=O)[N-]S(=O)(=O)C2CCCCC2)cc1 ZINC000058070355 1291876478 /nfs/dbraw/zinc/87/64/78/1291876478.db2.gz RRLJLELBBSFCNW-UHFFFAOYSA-N -1 0 325.430 3.247 20 30 EGEDRM COc1ccc(Cl)cc1C(=O)[N-]S(=O)(=O)C1CCCCC1 ZINC000058079190 1291878673 /nfs/dbraw/zinc/87/86/73/1291878673.db2.gz LCLCBCZRBGUDIG-UHFFFAOYSA-N -1 0 331.821 3.316 20 30 EGEDRM CCCCS(=O)(=O)[N-]C(=O)Cn1ccc2ccc(Cl)cc21 ZINC000066003134 1292104032 /nfs/dbraw/zinc/10/40/32/1292104032.db2.gz DTMSTCBLBVZMBY-UHFFFAOYSA-N -1 0 328.821 3.381 20 30 EGEDRM Cn1cccc1C(=O)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000069641570 1292246399 /nfs/dbraw/zinc/24/63/99/1292246399.db2.gz JEBFTIMZFGRGJM-UHFFFAOYSA-N -1 0 339.225 3.087 20 30 EGEDRM O=C([N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1ccco1 ZINC000069641482 1292246941 /nfs/dbraw/zinc/24/69/41/1292246941.db2.gz QQVWDQCZCOIGRY-UHFFFAOYSA-N -1 0 326.182 3.341 20 30 EGEDRM C[C@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000076755890 1292440087 /nfs/dbraw/zinc/44/00/87/1292440087.db2.gz GOMDPZNZURTBBY-WDEREUQCSA-N -1 0 326.374 3.066 20 30 EGEDRM CCCc1ncc(C(=O)[N-]S(=O)(=O)c2ccc(C)c(C)c2)s1 ZINC000076757895 1292440302 /nfs/dbraw/zinc/44/03/02/1292440302.db2.gz XCGLZPZVTWLTOF-UHFFFAOYSA-N -1 0 338.454 3.406 20 30 EGEDRM C[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1)c1cccc(F)c1 ZINC000076759048 1292440942 /nfs/dbraw/zinc/44/09/42/1292440942.db2.gz MXGXMBGCIYJOOF-LLVKDONJSA-N -1 0 332.356 3.146 20 30 EGEDRM Cc1cc(F)cc(C(=O)[N-]S(=O)(=O)Cc2ccc(F)cc2)c1 ZINC000076762844 1292441872 /nfs/dbraw/zinc/44/18/72/1292441872.db2.gz YHXSJNFKXGTLKW-UHFFFAOYSA-N -1 0 325.336 3.108 20 30 EGEDRM Cc1cccc2c(CCC(=O)[N-]S(=O)(=O)N3CCCCC3)c[nH]c21 ZINC000076877747 1292447828 /nfs/dbraw/zinc/44/78/28/1292447828.db2.gz PABJTIAIVVLGCQ-UHFFFAOYSA-N -1 0 349.456 3.096 20 30 EGEDRM CC(C)=CCC[C@@H](C)CC(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1 ZINC000830098118 1292662691 /nfs/dbraw/zinc/66/26/91/1292662691.db2.gz PILNCEMIXLMNOT-CYBMUJFWSA-N -1 0 342.399 3.122 20 30 EGEDRM CC(C)COc1ccc(CC(=O)[N-]S(=O)(=O)C2CCCC2)cc1 ZINC000086055218 1292727224 /nfs/dbraw/zinc/72/72/24/1292727224.db2.gz MEVUYQPSHHTVDA-UHFFFAOYSA-N -1 0 339.457 3.493 20 30 EGEDRM O=C(CCCOc1ccccc1F)[N-]S(=O)(=O)C1CCCC1 ZINC000086054927 1292727793 /nfs/dbraw/zinc/72/77/93/1292727793.db2.gz BZCJWSUXNCQSDD-UHFFFAOYSA-N -1 0 329.393 3.214 20 30 EGEDRM Cc1ccccc1C(=O)[N-]S(=O)(=O)c1ccc(OC(C)C)cc1 ZINC000091127301 1292822112 /nfs/dbraw/zinc/82/21/12/1292822112.db2.gz ASUFWCHBZBAMKL-UHFFFAOYSA-N -1 0 333.409 3.476 20 30 EGEDRM CC(C)Oc1ccc(S(=O)(=O)[N-]C(=O)C=Cc2ccco2)cc1 ZINC000091127299 1292822487 /nfs/dbraw/zinc/82/24/87/1292822487.db2.gz WYUJYWJHEOIVKL-JXMROGBWSA-N -1 0 335.381 3.425 20 30 EGEDRM CCOCCS(=O)(=O)[N-]C(=O)C[C@H](C)Cc1ccc(Cl)cc1 ZINC000091443502 1292837280 /nfs/dbraw/zinc/83/72/80/1292837280.db2.gz QLXPRDDYWLJYNU-GFCCVEGCSA-N -1 0 347.864 3.232 20 30 EGEDRM CCc1nocc1/C=C\C(=O)c1ccc(OCCCC(=O)[O-])cc1 ZINC000834404930 1293090975 /nfs/dbraw/zinc/09/09/75/1293090975.db2.gz NTJNLVGJSLPZOV-YFHOEESVSA-N -1 0 329.352 3.377 20 30 EGEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2coc3ccccc23)cc1 ZINC000113653913 1293154382 /nfs/dbraw/zinc/15/43/82/1293154382.db2.gz FXXJCYXHSGFJMM-MRXNPFEDSA-N -1 0 348.358 3.080 20 30 EGEDRM C=CCC1(C(=O)[N-]S(=O)(=O)Cc2ccc(C)cc2C)CCCC1 ZINC000835345558 1293269610 /nfs/dbraw/zinc/26/96/10/1293269610.db2.gz LJSLJVIRRLQKAL-UHFFFAOYSA-N -1 0 335.469 3.386 20 30 EGEDRM CCCCCOc1ccc(C([O-])=C(C#N)C(=O)c2nccn2C)cc1 ZINC000122709537 1293422101 /nfs/dbraw/zinc/42/21/01/1293422101.db2.gz QAOXCVQZALBFHY-MRXNPFEDSA-N -1 0 339.395 3.194 20 30 EGEDRM N#Cc1cnn(C(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])c1N ZINC000123267057 1293439016 /nfs/dbraw/zinc/43/90/16/1293439016.db2.gz NNPKMQVXBJIBQR-UHFFFAOYSA-N -1 0 338.754 3.051 20 30 EGEDRM C[C@@H](Sc1ccc(Cl)cc1)C(=O)C(C#N)=C([O-])c1nccn1C ZINC000123287705 1293439357 /nfs/dbraw/zinc/43/93/57/1293439357.db2.gz ASHZSFFRKKUXSK-ZWNOBZJWSA-N -1 0 347.827 3.146 20 30 EGEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1cc(Cl)cc(C(F)(F)F)c1 ZINC000123800861 1293455515 /nfs/dbraw/zinc/45/55/15/1293455515.db2.gz PRVAMNZTHSRSBJ-GFCCVEGCSA-N -1 0 344.720 3.304 20 30 EGEDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(N(C)C)ccc2C#N)c1 ZINC000123982939 1293462457 /nfs/dbraw/zinc/46/24/57/1293462457.db2.gz LCBSUTRZNRMPJU-UHFFFAOYSA-N -1 0 329.425 3.042 20 30 EGEDRM N#Cc1cccc(OCCCONC(=O)CCCc2ccccc2)c1 ZINC000124195818 1293469616 /nfs/dbraw/zinc/46/96/16/1293469616.db2.gz HBIGOLMCZYKNHX-UHFFFAOYSA-N -1 0 338.407 3.398 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nc(-c3ccco3)cs2)c(F)c1 ZINC000125475911 1293508921 /nfs/dbraw/zinc/50/89/21/1293508921.db2.gz QUHYCFCWCHWRAF-UHFFFAOYSA-N -1 0 349.368 3.215 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cccc(NC(=O)CC)c1 ZINC000125714720 1293515256 /nfs/dbraw/zinc/51/52/56/1293515256.db2.gz NTHSCUMRLOUOLD-MRXNPFEDSA-N -1 0 343.427 3.054 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2cc(Cl)cc(Cl)c2)C(=O)O1 ZINC000125783736 1293516869 /nfs/dbraw/zinc/51/68/69/1293516869.db2.gz NYYNJBBJKIAXMR-BAABZTOOSA-N -1 0 325.147 3.222 20 30 EGEDRM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(C#N)c2)c1 ZINC000130409662 1293655679 /nfs/dbraw/zinc/65/56/79/1293655679.db2.gz XSLJVYAUOGHSIG-UHFFFAOYSA-N -1 0 334.784 3.215 20 30 EGEDRM CC(C)NC(=O)C(C#N)=C([O-])c1ccc(C2SCCS2)cc1 ZINC000130631930 1293663178 /nfs/dbraw/zinc/66/31/78/1293663178.db2.gz SOKBKNBVXPPOEF-ZDUSSCGKSA-N -1 0 334.466 3.012 20 30 EGEDRM Cc1cccc(-c2cncc(C([O-])=C(C#N)C(=O)NC3CCCC3)c2)c1 ZINC000132034180 1293707035 /nfs/dbraw/zinc/70/70/35/1293707035.db2.gz GLZQNUARTKYKNX-LJQANCHMSA-N -1 0 347.418 3.438 20 30 EGEDRM COc1ccc(C(=O)C=Cc2c[nH]nc2C(C)(C)C)cc1CC(=O)[O-] ZINC000141500511 1293856238 /nfs/dbraw/zinc/85/62/38/1293856238.db2.gz FDGBHEBTXHZQNV-FNORWQNLSA-N -1 0 342.395 3.239 20 30 EGEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(Cl)c(C(F)(F)F)c1 ZINC000156428647 1294143401 /nfs/dbraw/zinc/14/34/01/1294143401.db2.gz LQEWXBLHQCQQLY-SNVBAGLBSA-N -1 0 344.720 3.304 20 30 EGEDRM N#C[C@H]([N-]C(=O)C(F)(F)C1(O)CCC1)c1cccc(Cl)c1Cl ZINC000162067816 1294307009 /nfs/dbraw/zinc/30/70/09/1294307009.db2.gz IMXKAXDRLAQZKI-JTQLQIEISA-N -1 0 349.164 3.225 20 30 EGEDRM COc1ccccc1NC(=O)C(C#N)=C([O-])c1csc(C(C)C)n1 ZINC000171146224 1294396681 /nfs/dbraw/zinc/39/66/81/1294396681.db2.gz IVYMOWKJSBRYBZ-NSHDSACASA-N -1 0 343.408 3.236 20 30 EGEDRM C[C@H](Oc1cccc(C(=O)/C=C/c2ccc(C#N)s2)c1)C(=O)[O-] ZINC000176407316 1294605961 /nfs/dbraw/zinc/60/59/61/1294605961.db2.gz SWUCSEVHVRYHIT-AEZGRPFRSA-N -1 0 327.361 3.368 20 30 EGEDRM CCCCC[C@@H](C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1)C(C)C ZINC000176718416 1294626899 /nfs/dbraw/zinc/62/68/99/1294626899.db2.gz UNQMHGNCGSXLDZ-MRXNPFEDSA-N -1 0 336.457 3.216 20 30 EGEDRM CCOc1ccccc1OCCCC(=O)Nc1cc(C#N)ccc1[O-] ZINC000176819845 1294633020 /nfs/dbraw/zinc/63/30/20/1294633020.db2.gz FRKWAXFEJOIUQS-UHFFFAOYSA-N -1 0 340.379 3.460 20 30 EGEDRM N#CCOc1ccc(CNC(=O)c2cc(F)cc(Cl)c2[O-])cc1 ZINC000178271892 1294725917 /nfs/dbraw/zinc/72/59/17/1294725917.db2.gz IKJXPHDEKBWQAG-UHFFFAOYSA-N -1 0 334.734 3.017 20 30 EGEDRM C[C@H](CC(=O)C(C#N)=C([O-])c1nccn1C)Cc1ccc(Cl)cc1 ZINC000179844006 1294832539 /nfs/dbraw/zinc/83/25/39/1294832539.db2.gz ZVSLHCRJVOSWCC-WFASDCNBSA-N -1 0 343.814 3.234 20 30 EGEDRM CCCCN(C)c1ccc(C([O-])=C(C#N)C(=O)NC2CCCC2)cc1 ZINC000179985171 1294848147 /nfs/dbraw/zinc/84/81/47/1294848147.db2.gz QMQRAIBKUNLKRO-GOSISDBHSA-N -1 0 341.455 3.304 20 30 EGEDRM C#CCOc1ccc(F)cc1NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000180068027 1294856270 /nfs/dbraw/zinc/85/62/70/1294856270.db2.gz ZQZCFKHOKQSXHV-UHFFFAOYSA-N -1 0 339.244 3.213 20 30 EGEDRM C=CCC[C@@H](C)OC(=O)c1ccc2c(c1)[n-]c(=S)n(CC)c2=O ZINC000180162732 1294864600 /nfs/dbraw/zinc/86/46/00/1294864600.db2.gz ZICFGWNBZBSQNM-LLVKDONJSA-N -1 0 332.425 3.217 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cc(C)c(OC)c(C)c1 ZINC000180734829 1294912767 /nfs/dbraw/zinc/91/27/67/1294912767.db2.gz JLRYEPBVMZDXFU-MRXNPFEDSA-N -1 0 330.428 3.331 20 30 EGEDRM C[C@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1cccc(F)c1F ZINC000183128558 1295101689 /nfs/dbraw/zinc/10/16/89/1295101689.db2.gz OYBZAZBIXXBIEO-SNVBAGLBSA-N -1 0 338.335 3.056 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)c1cc(C)n([C@H](C)c2ccccc2)c1C ZINC000191251465 1295661705 /nfs/dbraw/zinc/66/17/05/1295661705.db2.gz FPTCWHFCDPHCOZ-OAHLLOKOSA-N -1 0 340.423 3.427 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)c1cc(C2CC2)nc2c(C)cc(C)cc12 ZINC000191258235 1295662594 /nfs/dbraw/zinc/66/25/94/1295662594.db2.gz OICCSXSFNJQSON-UHFFFAOYSA-N -1 0 338.407 3.442 20 30 EGEDRM C[C@H]1CCc2[nH]c3ccc(C([O-])=C(C#N)C(=O)N4CCCC4)cc3c2C1 ZINC000193356152 1295856827 /nfs/dbraw/zinc/85/68/27/1295856827.db2.gz PBADTZAPMCKOIM-GUYCJALGSA-N -1 0 349.434 3.238 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(OC(C)C)c(OC)c1 ZINC000193369764 1295857639 /nfs/dbraw/zinc/85/76/39/1295857639.db2.gz PXCPXZSCXOFGEG-HNNXBMFYSA-N -1 0 346.427 3.111 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)C(=O)NC2CC2)c(C)n1[C@H](C)c1ccccc1 ZINC000193464106 1295873377 /nfs/dbraw/zinc/87/33/77/1295873377.db2.gz YAPQIGCYNUNXBF-KUHUBIRLSA-N -1 0 349.434 3.315 20 30 EGEDRM COc1cc(/C=C2/CCc3ccccc3C2=O)ccc1OCC(=O)[O-] ZINC000211741779 1296105527 /nfs/dbraw/zinc/10/55/27/1296105527.db2.gz JEGGMUZBKOHOKK-GDNBJRDFSA-N -1 0 338.359 3.371 20 30 EGEDRM CCOc1cccc(C=Nn2c(=S)[n-]nc2-c2ccco2)c1O ZINC000254807958 1296477699 /nfs/dbraw/zinc/47/76/99/1296477699.db2.gz JNMAAZIJYYEKIG-UHFFFAOYSA-N -1 0 330.369 3.187 20 30 EGEDRM COc1ccccc1-c1n[n-]c(=S)n1N=Cc1ccccc1O ZINC000254815275 1296478003 /nfs/dbraw/zinc/47/80/03/1296478003.db2.gz MZTUZSFCOSNARK-UHFFFAOYSA-N -1 0 326.381 3.204 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])c(/C=N\Cc2nnc(-c3ccccc3)s2)c1 ZINC000255109561 1296498954 /nfs/dbraw/zinc/49/89/54/1296498954.db2.gz XUVJOCGFMBXBRS-MFOYZWKCSA-N -1 0 340.364 3.438 20 30 EGEDRM COc1ccc2c(c1)C(=O)/C(=C/c1ccc([O-])c([N+](=O)[O-])c1)CCO2 ZINC000255712219 1296562614 /nfs/dbraw/zinc/56/26/14/1296562614.db2.gz WDFAYKFXMLMNTM-XYOKQWHBSA-N -1 0 341.319 3.358 20 30 EGEDRM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cn2)cc1C(C)C ZINC000872002546 1296643216 /nfs/dbraw/zinc/64/32/16/1296643216.db2.gz RWCSTQWEVFNCFL-UHFFFAOYSA-N -1 0 345.424 3.276 20 30 EGEDRM Cc1nn(C)c2nc(Cl)cc(N=NC(C)CC3(C(=O)[O-])CCC3)c12 ZINC000872421849 1296951381 /nfs/dbraw/zinc/95/13/81/1296951381.db2.gz AMZDWBSBYVEBCH-UHFFFAOYSA-N -1 0 349.822 3.363 20 30 EGEDRM CC(C)C[C@](C)(CC(=O)[O-])C(=O)Nc1ccccc1O[C@H](C)C#N ZINC000872854593 1297141652 /nfs/dbraw/zinc/14/16/52/1297141652.db2.gz DTNCGFRQXIFEKC-FZKQIMNGSA-N -1 0 332.400 3.443 20 30 EGEDRM COCCN(C)c1ccc(/C=C\C(=O)c2ccc(C)cc2[O-])cn1 ZINC000588579111 1298086680 /nfs/dbraw/zinc/08/66/80/1298086680.db2.gz MMMRTJPDRPJWPI-YVMONPNESA-N -1 0 326.396 3.074 20 30 EGEDRM O=C(/C=C\c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cc(F)ccc1[O-] ZINC000588594636 1298090085 /nfs/dbraw/zinc/09/00/85/1298090085.db2.gz HRECXYOHXPLCBE-DJWKRKHSSA-N -1 0 332.243 3.244 20 30 EGEDRM COc1ccc(/C=C\C(=O)c2ccc(OC)c(CC(=O)[O-])c2)cc1F ZINC000747003864 1298704913 /nfs/dbraw/zinc/70/49/13/1298704913.db2.gz RBCCNTMHHJMFFC-UTCJRWHESA-N -1 0 344.338 3.366 20 30 EGEDRM O=C(/C=C/c1ccc([N+](=O)[O-])c([O-])c1)c1cnn(-c2ccccc2)c1 ZINC000748145831 1298936350 /nfs/dbraw/zinc/93/63/50/1298936350.db2.gz AGJVNENDLZUQLS-VQHVLOKHSA-N -1 0 335.319 3.382 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)c2ccc(OCc3cccnc3)cc2)c1 ZINC000748410553 1299002778 /nfs/dbraw/zinc/00/27/78/1299002778.db2.gz ANSFCQXKFMJTPN-UHFFFAOYSA-N -1 0 345.358 3.490 20 30 EGEDRM CCOc1ccc([N+](=O)[O-])cc1C=NNc1cccc(C(=O)[O-])c1 ZINC000748579649 1299039849 /nfs/dbraw/zinc/03/98/49/1299039849.db2.gz PWZJNEFBNIDKEO-UHFFFAOYSA-N -1 0 329.312 3.138 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])cc1C=NNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000751131097 1299513491 /nfs/dbraw/zinc/51/34/91/1299513491.db2.gz QGQIXVOICBFUER-UHFFFAOYSA-N -1 0 336.691 3.308 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2cc(Cl)ccc2Cl)C(=O)O1 ZINC000753715580 1300009904 /nfs/dbraw/zinc/00/99/04/1300009904.db2.gz SIFUNZKHVYDPMQ-FWWGQDLDSA-N -1 0 325.147 3.222 20 30 EGEDRM CC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1ccc(Cl)c(Cl)c1[O-] ZINC000753937814 1300046482 /nfs/dbraw/zinc/04/64/82/1300046482.db2.gz HNQPMQDGYXPLNO-TXEJJXNPSA-N -1 0 341.242 3.283 20 30 EGEDRM COc1ccc(C(=O)/C=C\c2ccc(O)c(F)c2)cc1CC(=O)[O-] ZINC000755581264 1300360760 /nfs/dbraw/zinc/36/07/60/1300360760.db2.gz LJYPURQQNRLIDH-DJWKRKHSSA-N -1 0 330.311 3.063 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1NN=Cc1cc2c(c(Cl)c1)OCO2 ZINC000756901279 1300585499 /nfs/dbraw/zinc/58/54/99/1300585499.db2.gz NHZJHDUSKPXVIS-UHFFFAOYSA-N -1 0 348.742 3.222 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1NN=Cc1occc1Br ZINC000756900703 1300586114 /nfs/dbraw/zinc/58/61/14/1300586114.db2.gz AJHVJYQFQHNHLK-UHFFFAOYSA-N -1 0 339.145 3.195 20 30 EGEDRM Cn1cc(/C=C/C(=O)c2cc(F)cc(F)c2[O-])c(-c2ccncc2)n1 ZINC000757473841 1300674714 /nfs/dbraw/zinc/67/47/14/1300674714.db2.gz QIJPMKKGGYCNOF-NSCUHMNNSA-N -1 0 341.317 3.362 20 30 EGEDRM COC(=O)[C@@H](C)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2[O-])cc1 ZINC000758435039 1300883795 /nfs/dbraw/zinc/88/37/95/1300883795.db2.gz YTDRKWRCPNZRQF-SBKJXLNCSA-N -1 0 344.338 3.368 20 30 EGEDRM COc1ccc(C(=O)/C=C\c2nc(Cl)cs2)cc1CC(=O)[O-] ZINC000759075795 1301011032 /nfs/dbraw/zinc/01/10/32/1301011032.db2.gz OBNLJKBPOHKSOI-HYXAFXHYSA-N -1 0 337.784 3.328 20 30 EGEDRM O=C(/C=C\c1cnc2ccc(Cl)cn12)c1cc([N+](=O)[O-])ccc1[O-] ZINC000759090846 1301013785 /nfs/dbraw/zinc/01/37/85/1301013785.db2.gz OCCUFFGEABANDF-HYXAFXHYSA-N -1 0 343.726 3.498 20 30 EGEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)C[C@H](C)C1CC1 ZINC000759240354 1301048481 /nfs/dbraw/zinc/04/84/81/1301048481.db2.gz SKGYIHUFYLKLDC-HZMBPMFUSA-N -1 0 344.411 3.136 20 30 EGEDRM N#Cc1cc(F)ccc1[N-]S(=O)(=O)c1cccc2c1CCCC2 ZINC000759496551 1301102994 /nfs/dbraw/zinc/10/29/94/1301102994.db2.gz AGVRUOSNMJMETB-UHFFFAOYSA-N -1 0 330.384 3.377 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2ccc(F)c(Cl)c2Cl)C(=O)O1 ZINC000761473923 1301479327 /nfs/dbraw/zinc/47/93/27/1301479327.db2.gz JJAFRKZTUGXRGW-OGOUPESXSA-N -1 0 343.137 3.361 20 30 EGEDRM N#Cc1cc([N-]C(=O)c2scnc2Cl)c(Cl)c([N+](=O)[O-])c1 ZINC000764303684 1302040130 /nfs/dbraw/zinc/04/01/30/1302040130.db2.gz ZWWOZAOJFCCZBS-UHFFFAOYSA-N -1 0 343.151 3.482 20 30 EGEDRM COc1ccsc1/C=C/C(=O)c1ccc(OC)c(CC(=O)[O-])c1 ZINC000764434052 1302062755 /nfs/dbraw/zinc/06/27/55/1302062755.db2.gz UUEATPMXVJOJCD-GQCTYLIASA-N -1 0 332.377 3.289 20 30 EGEDRM CCC[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)C(C)C ZINC000764626538 1302104428 /nfs/dbraw/zinc/10/44/28/1302104428.db2.gz MSGWJMCXCXOKED-CYBMUJFWSA-N -1 0 342.848 3.089 20 30 EGEDRM CCCCCCCCCC(=O)[N-]S(=O)(=O)Cc1cccnc1 ZINC000766905810 1302543536 /nfs/dbraw/zinc/54/35/36/1302543536.db2.gz OPALOZZZMFRBJH-UHFFFAOYSA-N -1 0 326.462 3.168 20 30 EGEDRM CC(C)(C)C1N=NC(=S)N1N=Cc1cc(Cl)cc(F)c1[O-] ZINC000768350858 1302885357 /nfs/dbraw/zinc/88/53/57/1302885357.db2.gz ADZOSPNTJUNTMQ-UHFFFAOYSA-N -1 0 328.800 3.245 20 30 EGEDRM CC(C[C@H](C)NC(=O)OC(C)(C)C)N=Nc1ccccc1C(=O)[O-] ZINC000769570600 1303142243 /nfs/dbraw/zinc/14/22/43/1303142243.db2.gz RHVHRDXKPKZETB-NSHDSACASA-N -1 0 335.404 3.476 20 30 EGEDRM COc1ccsc1C(=O)/C=C/c1ccc(OCC(=O)[O-])c(OC)c1 ZINC000769746155 1303169078 /nfs/dbraw/zinc/16/90/78/1303169078.db2.gz AREFXHNCHXRYDO-HWKANZROSA-N -1 0 348.376 3.125 20 30 EGEDRM CCC[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1 ZINC000771074714 1303357612 /nfs/dbraw/zinc/35/76/12/1303357612.db2.gz TXIHHTQKTBDNIB-OAHLLOKOSA-N -1 0 340.489 3.123 20 30 EGEDRM C[C@@H](Oc1cccc(C(=O)/C=C/c2ccc(C#N)cc2F)c1)C(=O)[O-] ZINC000772805438 1303579067 /nfs/dbraw/zinc/57/90/67/1303579067.db2.gz HBSVQUQKLTUNNH-ABZNLYFFSA-N -1 0 339.322 3.445 20 30 EGEDRM C[C@H](Oc1cccc(C(=O)/C=C\c2ccc(C#N)cc2F)c1)C(=O)[O-] ZINC000772805442 1303579267 /nfs/dbraw/zinc/57/92/67/1303579267.db2.gz HBSVQUQKLTUNNH-KRZKBDHCSA-N -1 0 339.322 3.445 20 30 EGEDRM CCN(CC(=O)Nc1cc(C#N)ccc1[O-])Cc1ccccc1Cl ZINC000774080443 1303771483 /nfs/dbraw/zinc/77/14/83/1303771483.db2.gz GYTZKLCUSPREMN-UHFFFAOYSA-N -1 0 343.814 3.378 20 30 EGEDRM Cc1ccc(C/N=C/c2cc(Cl)cc(Cl)c2[O-])c(=O)n1C ZINC000775233659 1303927310 /nfs/dbraw/zinc/92/73/10/1303927310.db2.gz OBVMMIUJVHFINB-QGMBQPNBSA-N -1 0 325.195 3.325 20 30 EGEDRM Cc1cccc(S(=O)(=O)[N-]c2cccc(OCC#N)c2)c1Cl ZINC000775673621 1304011805 /nfs/dbraw/zinc/01/18/05/1304011805.db2.gz XOOHULMHUJDEOB-UHFFFAOYSA-N -1 0 336.800 3.352 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])c(/C=N/Cc2nc(-c3cccc(F)c3)no2)c1 ZINC000775742993 1304027032 /nfs/dbraw/zinc/02/70/32/1304027032.db2.gz ZLIHVCWLSGXPRY-QGMBQPNBSA-N -1 0 342.286 3.109 20 30 EGEDRM N#Cc1cccnc1[N-]S(=O)(=O)c1ccc(OC2CCCC2)cc1 ZINC000776310442 1304131238 /nfs/dbraw/zinc/13/12/38/1304131238.db2.gz FAAGVGNQGYPCHS-UHFFFAOYSA-N -1 0 343.408 3.075 20 30 EGEDRM CC(C)[C@H](Cc1ccccc1)NN=Cc1cccc(OCC(=O)[O-])c1 ZINC000777446933 1304297448 /nfs/dbraw/zinc/29/74/48/1304297448.db2.gz AKZMTGHRCXNACE-IBGZPJMESA-N -1 0 340.423 3.341 20 30 EGEDRM O=C([O-])Cc1ccc(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000777915177 1304365387 /nfs/dbraw/zinc/36/53/87/1304365387.db2.gz HMVZVFRPVXNJOC-VURMDHGXSA-N -1 0 329.283 3.257 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cc(C)n([C@H](C)CC)n1 ZINC000778295661 1304432520 /nfs/dbraw/zinc/43/25/20/1304432520.db2.gz RUSOUVQXQIWLCT-UKRRQHHQSA-N -1 0 332.448 3.182 20 30 EGEDRM CC[C@H](CC(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1)c1ccccc1 ZINC000779316165 1304554943 /nfs/dbraw/zinc/55/49/43/1304554943.db2.gz ODAHHUZPQOEIQN-OAHLLOKOSA-N -1 0 348.468 3.100 20 30 EGEDRM COC(=O)COc1ccc(/C=C/C(=O)c2cc(F)cc(F)c2[O-])cc1 ZINC000782184146 1304927278 /nfs/dbraw/zinc/92/72/78/1304927278.db2.gz GYVLNHJNXGZQHW-QPJJXVBHSA-N -1 0 348.301 3.118 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)CCCc2ccsc2)n1 ZINC000783262617 1305073548 /nfs/dbraw/zinc/07/35/48/1305073548.db2.gz LNALNVGYBAIIKI-CYBMUJFWSA-N -1 0 348.449 3.255 20 30 EGEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2cccc(C(C)C)n2)c1 ZINC000786552030 1305596268 /nfs/dbraw/zinc/59/62/68/1305596268.db2.gz JCGANIWTFDVWQR-MRXNPFEDSA-N -1 0 335.407 3.152 20 30 EGEDRM CNc1c(C([O-])=C(C#N)c2nc3ccccc3o2)cccc1[N+](=O)[O-] ZINC000788080605 1305861056 /nfs/dbraw/zinc/86/10/56/1305861056.db2.gz FOKWZNPDZFRPMT-LLVKDONJSA-N -1 0 336.307 3.268 20 30 EGEDRM CC(=NNc1nc2ccccc2c(=O)[nH]1)c1cc(C(=O)[O-])ccc1C ZINC000788432966 1305941073 /nfs/dbraw/zinc/94/10/73/1305941073.db2.gz IHYYBUADLDZABS-UHFFFAOYSA-N -1 0 336.351 3.178 20 30 EGEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N/Cc2cnc3n2CCCC3)c1[O-] ZINC000790576349 1306354766 /nfs/dbraw/zinc/35/47/66/1306354766.db2.gz XVGQHHJASPWVAF-REZTVBANSA-N -1 0 334.763 3.106 20 30 EGEDRM CC[C@@H](NN=Cc1ccc(Oc2cccc([N+](=O)[O-])c2)cc1)C(=O)[O-] ZINC000793080919 1309293348 /nfs/dbraw/zinc/29/33/48/1309293348.db2.gz DUDSTJRANQWULC-MRXNPFEDSA-N -1 0 343.339 3.174 20 30 EGEDRM Cc1c(N=Cc2cc([N+](=O)[O-])ccc2[O-])cccc1NC(=O)N(C)C ZINC000794831609 1309603663 /nfs/dbraw/zinc/60/36/63/1309603663.db2.gz CHRLNSDTRLQTIB-UHFFFAOYSA-N -1 0 342.355 3.453 20 30 EGEDRM C[C@H](Oc1cccc(/C=C2\CCc3ccc(O)cc3C2=O)c1)C(=O)[O-] ZINC000794960235 1309633859 /nfs/dbraw/zinc/63/38/59/1309633859.db2.gz OVERPJJECCNHRT-DGGAMASNSA-N -1 0 338.359 3.457 20 30 EGEDRM CC(C)(C)c1[n-]n(CC[C@@H](O)c2ccccc2)c(=O)c1CCC#N ZINC000795211591 1309697908 /nfs/dbraw/zinc/69/79/08/1309697908.db2.gz CSMCYEZVFIDUFV-MRXNPFEDSA-N -1 0 327.428 3.466 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)Nc1cccc(-c2ccccc2OC)c1 ZINC000797736666 1310240277 /nfs/dbraw/zinc/24/02/77/1310240277.db2.gz ZSMLKPPAAYSEKG-UHFFFAOYSA-N -1 0 340.379 3.467 20 30 EGEDRM C#CCOc1cccc(NC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])c1 ZINC000797742739 1310240316 /nfs/dbraw/zinc/24/03/16/1310240316.db2.gz DTZGYSINZAVWAE-QGZVFWFLSA-N -1 0 344.411 3.244 20 30 EGEDRM O=C(/C=C/c1ccc([O-])c([N+](=O)[O-])c1)c1ccnn1-c1ccccc1 ZINC000798372770 1310348592 /nfs/dbraw/zinc/34/85/92/1310348592.db2.gz PTZXERCOXYJZQB-SOFGYWHQSA-N -1 0 335.319 3.382 20 30 EGEDRM C[C@@H](OC(=O)c1cc([S-])ccc1F)C(=O)Nc1ccccc1C#N ZINC000798724477 1310429637 /nfs/dbraw/zinc/42/96/37/1310429637.db2.gz RTRZWEQBEXHEIA-SNVBAGLBSA-N -1 0 344.367 3.170 20 30 EGEDRM COc1ccccc1CO[N-]C(=O)CSCc1ccc(C#N)cc1 ZINC000799097301 1310486160 /nfs/dbraw/zinc/48/61/60/1310486160.db2.gz LWICRLSBYDZYLR-UHFFFAOYSA-N -1 0 342.420 3.048 20 30 EGEDRM COc1ccccc1CON=Cc1cccc(OCCC(=O)[O-])c1 ZINC000799118026 1310490148 /nfs/dbraw/zinc/49/01/48/1310490148.db2.gz UVYNFYVBRIPVIW-UHFFFAOYSA-N -1 0 329.352 3.099 20 30 EGEDRM O=C([O-])Cn1cc(C=NNc2ccnc3ccccc32)c2ccccc21 ZINC000799879540 1310632513 /nfs/dbraw/zinc/63/25/13/1310632513.db2.gz GHFDPOBBXYUJNK-UHFFFAOYSA-N -1 0 344.374 3.142 20 30 EGEDRM C#CCCCOC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000801189480 1310878302 /nfs/dbraw/zinc/87/83/02/1310878302.db2.gz VBRPONRLNNQAFT-UHFFFAOYSA-N -1 0 338.285 3.167 20 30 EGEDRM CC[C@H](C#N)OC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000801189108 1310878402 /nfs/dbraw/zinc/87/84/02/1310878402.db2.gz JJOYGKJGMUFQRY-SECBINFHSA-N -1 0 339.273 3.056 20 30 EGEDRM C[C@H](Oc1cccc(C(=O)/C=C\c2cn(C)nc2C2CC2)c1)C(=O)[O-] ZINC000899350254 1316998285 /nfs/dbraw/zinc/99/82/85/1316998285.db2.gz BGTWOJQHJNMHNA-LAUAKBEESA-N -1 0 340.379 3.046 20 30 EGEDRM Cc1c2ccc(F)cc2sc1C([O-])=C(C#N)C(=O)N1CCCC1 ZINC000805851440 1317431675 /nfs/dbraw/zinc/43/16/75/1317431675.db2.gz KBMYKVHCWGEKPZ-ZDUSSCGKSA-N -1 0 330.384 3.294 20 30 EGEDRM O=C([O-])[C@@H]1C/C(=C/c2cccc3c2OCCO3)C(=O)c2ccccc21 ZINC000806561428 1317501349 /nfs/dbraw/zinc/50/13/49/1317501349.db2.gz VHYXAASSVPOZSV-IVOILVROSA-N -1 0 336.343 3.296 20 30 EGEDRM Cc1nn(C)c2ncc(/C=C3/C[C@H](C(=O)[O-])c4ccccc4C3=O)cc12 ZINC000806562354 1317501475 /nfs/dbraw/zinc/50/14/75/1317501475.db2.gz JLOLMKFIHNWRMF-FUIJVIPGSA-N -1 0 347.374 3.115 20 30 EGEDRM O=C([O-])[C@@H]1C/C(=C/c2csc([N+](=O)[O-])c2)C(=O)c2ccccc21 ZINC000806563329 1317502226 /nfs/dbraw/zinc/50/22/26/1317502226.db2.gz UTZVMWCVXYSCFG-OMPYUXFZSA-N -1 0 329.333 3.495 20 30 EGEDRM Cc1ccccc1-n1cc(/C=C\C(=O)c2ccc(C(=O)[O-])s2)nn1 ZINC000806570962 1317503771 /nfs/dbraw/zinc/50/37/71/1317503771.db2.gz OGFQSPNMQMZUJF-SREVYHEPSA-N -1 0 339.376 3.232 20 30 EGEDRM CC(=NNc1cccc(C(=O)[O-])c1)c1cc2c(C)nn(C)c2s1 ZINC000807944121 1317602985 /nfs/dbraw/zinc/60/29/85/1317602985.db2.gz SDSVPXFYPSHZTG-UHFFFAOYSA-N -1 0 328.397 3.478 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(SC(F)F)c2)o1 ZINC000808087082 1317621744 /nfs/dbraw/zinc/62/17/44/1317621744.db2.gz OFWFPTSQUMRLJR-UHFFFAOYSA-N -1 0 330.337 3.267 20 30 EGEDRM COc1ccc(C)cc1S(=O)(=O)[N-]c1sc(C)c(C)c1C#N ZINC000903168986 1317667486 /nfs/dbraw/zinc/66/74/86/1317667486.db2.gz VRRKKKICUPREHW-UHFFFAOYSA-N -1 0 336.438 3.354 20 30 EGEDRM C=CCOc1ccc(/C=C\C(=O)NC(CC)(CC)C(=O)[O-])cc1OC ZINC000808519992 1317690615 /nfs/dbraw/zinc/69/06/15/1317690615.db2.gz JLBXWUBKAWXTHJ-LUAWRHEFSA-N -1 0 347.411 3.033 20 30 EGEDRM COc1ccc2c(c1F)C/C(=C\c1ccc([O-])c([N+](=O)[O-])c1)C2=O ZINC000809156115 1317776357 /nfs/dbraw/zinc/77/63/57/1317776357.db2.gz JCANWNVTNGYYMN-UXBLZVDNSA-N -1 0 329.283 3.271 20 30 EGEDRM COc1cc(C)c(C(=O)/C=C\c2ccc(O)c(C(=O)[O-])c2)cc1OC ZINC000809153663 1317776365 /nfs/dbraw/zinc/77/63/65/1317776365.db2.gz BBAAOIBDWCOLCX-XQRVVYSFSA-N -1 0 342.347 3.312 20 30 EGEDRM CN(C)c1cc(F)ccc1C(=O)/C=C\c1ccc(O)c(C(=O)[O-])c1 ZINC000809158760 1317777060 /nfs/dbraw/zinc/77/70/60/1317777060.db2.gz WFYDQZRUIRZAGL-CLTKARDFSA-N -1 0 329.327 3.192 20 30 EGEDRM N#C[C@@H]1CCCN(Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000905718624 1317984474 /nfs/dbraw/zinc/98/44/74/1317984474.db2.gz COQGEBAVSKCODL-AWEZNQCLSA-N -1 0 336.391 3.064 20 30 EGEDRM C=CCCCC(=O)[N-]S(=O)(=O)c1cc(C(=O)CC)ccc1Cl ZINC000810801076 1318058504 /nfs/dbraw/zinc/05/85/04/1318058504.db2.gz FQSMBWSWFBRSHM-UHFFFAOYSA-N -1 0 343.832 3.094 20 30 EGEDRM N#Cc1ccc2c(c1)C(=O)/C(=C\c1ccc(OCCC(=O)[O-])cc1)C2 ZINC000811696344 1318229342 /nfs/dbraw/zinc/22/93/42/1318229342.db2.gz SOLSCZFGWMARJE-SXGWCWSVSA-N -1 0 333.343 3.234 20 30 EGEDRM COc1ccc(C(=O)/C=C/c2cccc(O[C@H](C)C(=O)[O-])c2)cc1O ZINC000811696824 1318229461 /nfs/dbraw/zinc/22/94/61/1318229461.db2.gz AHRMTUGIBCCESP-WAFBPQNNSA-N -1 0 342.347 3.149 20 30 EGEDRM O=C(/C=C\c1ccc([N+](=O)[O-])c([O-])c1)c1ccc(Br)nc1 ZINC000811696189 1318230062 /nfs/dbraw/zinc/23/00/62/1318230062.db2.gz KTMKGSPEJUACMW-DJWKRKHSSA-N -1 0 349.140 3.354 20 30 EGEDRM CCOC(=O)c1ccc(NN=Cc2cc([O-])ccc2[N+](=O)[O-])cc1C ZINC000812229473 1318348717 /nfs/dbraw/zinc/34/87/17/1318348717.db2.gz KCRSGWFGGVKBLI-UHFFFAOYSA-N -1 0 343.339 3.232 20 30 EGEDRM C#CC[C@@H](NC(=O)Nc1cccc(COC2CCCCC2)c1)C(=O)[O-] ZINC000908618561 1318373661 /nfs/dbraw/zinc/37/36/61/1318373661.db2.gz MZMONFVACIXWSM-QGZVFWFLSA-N -1 0 344.411 3.134 20 30 EGEDRM C=C(C)C(C)(C)C(=O)Nc1cccc(-n2ncc(C(=O)[O-])c2C)c1 ZINC000909640800 1318509446 /nfs/dbraw/zinc/50/94/46/1318509446.db2.gz QZOOBIZJVGQERS-UHFFFAOYSA-N -1 0 327.384 3.420 20 30 EGEDRM CC(C)(C)OC(=O)NCC1(CN=Nc2ccc(C(=O)[O-])cc2)CCC1 ZINC000814680868 1318799073 /nfs/dbraw/zinc/79/90/73/1318799073.db2.gz LWYZHZJNHDYIOB-UHFFFAOYSA-N -1 0 347.415 3.478 20 30 EGEDRM Cc1cc(C)nc(N=NC2CC(C(=O)[O-])(c3cccc(Cl)c3)C2)n1 ZINC000814681510 1318799313 /nfs/dbraw/zinc/79/93/13/1318799313.db2.gz PNHGURVNMIGOMV-UHFFFAOYSA-N -1 0 344.802 3.331 20 30 EGEDRM Cc1cccc(NC(=S)NN=C2CC[C@H](C(=O)[O-])C[C@H]2C)c1C ZINC000814706878 1318802365 /nfs/dbraw/zinc/80/23/65/1318802365.db2.gz GLYKZXDYSFNLLF-YPMHNXCESA-N -1 0 333.457 3.467 20 30 EGEDRM CCOc1ccc(NC(=S)NN=C2CC[C@@H](C(=O)[O-])C[C@@H]2C)cc1 ZINC000814717856 1318803963 /nfs/dbraw/zinc/80/39/63/1318803963.db2.gz VFNURRSVCOTBGR-NWDGAFQWSA-N -1 0 349.456 3.249 20 30 EGEDRM CC(CCc1ccc(OCC(=O)[O-])cc1)=NOCc1cccnc1 ZINC000814882882 1318838687 /nfs/dbraw/zinc/83/86/87/1318838687.db2.gz ZRCVCZMHSFXPSW-UHFFFAOYSA-N -1 0 328.368 3.070 20 30 EGEDRM O=C([O-])CNN=Cc1ccc(-c2ccccc2Br)s1 ZINC000814958451 1318859966 /nfs/dbraw/zinc/85/99/66/1318859966.db2.gz UBUVILVASMVFHE-UHFFFAOYSA-N -1 0 339.214 3.186 20 30 EGEDRM CC(=NNCCC(F)(F)F)c1cccc(OCCCC(=O)[O-])c1 ZINC000814920240 1318848711 /nfs/dbraw/zinc/84/87/11/1318848711.db2.gz GNSGCZRJBXYLBW-UHFFFAOYSA-N -1 0 332.322 3.196 20 30 EGEDRM CC(CC1(C(=O)[O-])CCC1)=NN[C@@H](C)CCc1ccc2c(c1)OCO2 ZINC000814924207 1318850322 /nfs/dbraw/zinc/85/03/22/1318850322.db2.gz HYJBAWPMWCQIHE-ZDUSSCGKSA-N -1 0 346.427 3.347 20 30 EGEDRM CCOc1ccc(NN=Cc2cccc(OCCC(=O)[O-])c2)cc1 ZINC000814983424 1318863036 /nfs/dbraw/zinc/86/30/36/1318863036.db2.gz KCEXHYKNBGBXPT-UHFFFAOYSA-N -1 0 328.368 3.385 20 30 EGEDRM COc1cc(Cl)cc(C([O-])=C(C#N)C(=O)NC2CCCCC2)c1 ZINC000815907995 1319073161 /nfs/dbraw/zinc/07/31/61/1319073161.db2.gz PZQPCYZMCWUWHV-OAHLLOKOSA-N -1 0 334.803 3.120 20 30 EGEDRM CCCCCCCCCNC(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000913935683 1319182613 /nfs/dbraw/zinc/18/26/13/1319182613.db2.gz SLYMPDHCGJDYLH-AWEZNQCLSA-N -1 0 337.468 3.150 20 30 EGEDRM CC(=O)Nc1cccc([C@@H](C)/N=C\c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000914556596 1319343685 /nfs/dbraw/zinc/34/36/85/1319343685.db2.gz BKKCKOKBWWAVHG-IPHDDYSGSA-N -1 0 327.340 3.439 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2cc3ccsc3[nH]2)n1 ZINC000914891323 1319394574 /nfs/dbraw/zinc/39/45/74/1319394574.db2.gz OCEXUKUMYWNSOL-SNVBAGLBSA-N -1 0 345.405 3.028 20 30 EGEDRM FC(F)(F)c1n[n-]c(=S)n1N=Cc1ccccc1C(F)(F)F ZINC000916305620 1319637004 /nfs/dbraw/zinc/63/70/04/1319637004.db2.gz YBEQTLFGKYEWOY-UHFFFAOYSA-N -1 0 340.252 3.487 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(OC(C)C)cc1 ZINC000916872885 1319717474 /nfs/dbraw/zinc/71/74/74/1319717474.db2.gz LBSKWPARQIQWRW-QGZVFWFLSA-N -1 0 330.428 3.493 20 30 EGEDRM CC(C)NC(=O)C(C#N)=C([O-])c1cc2c(s1)-c1ccccc1OC2 ZINC000916944973 1319727166 /nfs/dbraw/zinc/72/71/66/1319727166.db2.gz FJBKIWCMGDNNDV-ZDUSSCGKSA-N -1 0 340.404 3.155 20 30 EGEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)C(CC)CC ZINC000917506581 1319823462 /nfs/dbraw/zinc/82/34/62/1319823462.db2.gz BMDMDFCFWMVBMQ-CYBMUJFWSA-N -1 0 332.400 3.136 20 30 EGEDRM C=C(C)CO[N-]C(=O)[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 ZINC000824028391 1320223005 /nfs/dbraw/zinc/22/30/05/1320223005.db2.gz GYWIGRRYADWOHY-AWEZNQCLSA-N -1 0 332.400 3.149 20 30 EGEDRM C=CCN(C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-])[C@@H](C)COC ZINC000824407512 1320255089 /nfs/dbraw/zinc/25/50/89/1320255089.db2.gz DDUQKQQBMMZOMB-ZDUSSCGKSA-N -1 0 343.379 3.128 20 30 EGEDRM C=CCC[C@H](NC(=O)NCc1ccc(OC2CCCC2)cc1)C(=O)[O-] ZINC000837299590 1320594433 /nfs/dbraw/zinc/59/44/33/1320594433.db2.gz WCKUJNZLTHAXTO-KRWDZBQOSA-N -1 0 346.427 3.227 20 30 EGEDRM C#CCCCS(=O)(=O)[N-]c1nc(-c2ccc(F)c(C)c2)cs1 ZINC000840948878 1321183523 /nfs/dbraw/zinc/18/35/23/1321183523.db2.gz MELJSKKRBYFAMF-UHFFFAOYSA-N -1 0 338.429 3.413 20 30 EGEDRM C=C[C@H](C)O[N-]C(=O)CSc1nncn1-c1ccc(C(C)C)cc1 ZINC000846545305 1321792621 /nfs/dbraw/zinc/79/26/21/1321792621.db2.gz VPVQIUHIXLTOQM-ZDUSSCGKSA-N -1 0 346.456 3.105 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cccc2c1OC(C)(C)C2 ZINC000847622789 1321884670 /nfs/dbraw/zinc/88/46/70/1321884670.db2.gz UBFCMWRFAMRDIP-INIZCTEOSA-N -1 0 342.439 3.419 20 30 EGEDRM COc1cc(/C=C2\Cc3cc(C)ccc3C2=O)cc([N+](=O)[O-])c1[O-] ZINC000921263576 1322282614 /nfs/dbraw/zinc/28/26/14/1322282614.db2.gz HBLKCSDXJQWPHP-AWNIVKPZSA-N -1 0 325.320 3.440 20 30 EGEDRM N#CC1(CC(=O)[N-]S(=O)(=O)CCC2CCCCC2)CCCCC1 ZINC000851073051 1322330935 /nfs/dbraw/zinc/33/09/35/1322330935.db2.gz QEZSIVXFNHOYCT-UHFFFAOYSA-N -1 0 340.489 3.267 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)Cc2cc(C)cc(C)c2)n1 ZINC000853955632 1325191235 /nfs/dbraw/zinc/19/12/35/1325191235.db2.gz GTECTINOQVKUML-OAHLLOKOSA-N -1 0 342.420 3.031 20 30 EGEDRM CC1(C)[C@@]2(C)CC[C@]1(C([O-])=C(C#N)c1nc3ccccc3o1)OC2=O ZINC000860482533 1329322759 /nfs/dbraw/zinc/32/27/59/1329322759.db2.gz IFBBIQPXNQMBMO-RIPJAXHCSA-N -1 0 338.363 3.126 20 30 EGEDRM C=CC[C@@H](NC(=O)N[C@H](CC1CCCCC1)C(=O)[O-])c1ccncc1 ZINC000929033227 1328492741 /nfs/dbraw/zinc/49/27/41/1328492741.db2.gz KXNJQKWJJJLLJT-IAGOWNOFSA-N -1 0 345.443 3.422 20 30 EGEDRM O=C([O-])c1ccc(F)c(/C=C2\S/C(=N\C3CCCC3)NC2=O)c1 ZINC000865215351 1329676486 /nfs/dbraw/zinc/67/64/86/1329676486.db2.gz OUMQJIOMNMWMTJ-JYRVWZFOSA-N -1 0 334.372 3.026 20 30 EGEDRM CC1(C#N)CCN(C(=O)c2cc(Br)cc(F)c2[O-])CC1 ZINC000867287622 1330191331 /nfs/dbraw/zinc/19/13/31/1330191331.db2.gz IJWVNWSJRWZBJH-UHFFFAOYSA-N -1 0 341.180 3.060 20 30 EGEDRM CC(C)C[C@@H](C#N)NC(=O)CCC(=O)C=C([O-])c1ccc(Cl)cc1 ZINC001184119017 1387395775 /nfs/dbraw/zinc/39/57/75/1387395775.db2.gz TZKZDOAELJQYDO-HNNXBMFYSA-N -1 0 348.830 3.317 20 30 EGEDRM CCOC(=O)Nc1ccc(NC(=O)CCC(=O)C2=CC=C[CH]2)cc1 ZINC001184244363 1387418749 /nfs/dbraw/zinc/41/87/49/1387418749.db2.gz AHDGAYNHRKSCOZ-UHFFFAOYSA-N -1 0 327.360 3.243 20 30 EGEDRM N=C(NC(=O)CCC(=O)C1=CC=C[CH]1)C12CC3CC(CC(C3)C1)C2 ZINC001184243432 1387418856 /nfs/dbraw/zinc/41/88/56/1387418856.db2.gz FSJSLPWAADCYQV-UHFFFAOYSA-N -1 0 325.432 3.346 20 30 EGEDRM O=C(CCC(=O)C1=CC=C[CH]1)NCCC(C(F)(F)F)C(F)(F)F ZINC001184247218 1387419693 /nfs/dbraw/zinc/41/96/93/1387419693.db2.gz JOIQVJVWWISSAS-UHFFFAOYSA-N -1 0 342.259 3.283 20 30 EGEDRM N#Cc1cc(F)cc([N-]S(=O)(=O)c2ccc(-c3cnco3)cc2)c1 ZINC001185222691 1387655926 /nfs/dbraw/zinc/65/59/26/1387655926.db2.gz USLUFVAWCWHGPB-UHFFFAOYSA-N -1 0 343.339 3.153 20 30 EGEDRM N#Cc1cc([N-]S(=O)(=O)c2ccsc2)cc(C(F)(F)F)c1 ZINC001185392244 1387703486 /nfs/dbraw/zinc/70/34/86/1387703486.db2.gz ZNRSXTWJXJLSLO-UHFFFAOYSA-N -1 0 332.328 3.439 20 30 EGEDRM N#Cc1cc(O)ccc1[N-]S(=O)(=O)c1cc2ccccc2s1 ZINC001185463479 1387722109 /nfs/dbraw/zinc/72/21/09/1387722109.db2.gz ZTQQWIXLZNBPHI-UHFFFAOYSA-N -1 0 330.390 3.279 20 30 EGEDRM N#Cc1sccc1NC(=O)c1cccc(OC(F)(F)F)c1[O-] ZINC001189748806 1367101272 /nfs/dbraw/zinc/10/12/72/1367101272.db2.gz LJCWAFQJCFIKTB-UHFFFAOYSA-N -1 0 328.271 3.476 20 30 EGEDRM COc1nc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2C#N)ccc1F ZINC001190097398 1367171823 /nfs/dbraw/zinc/17/18/23/1367171823.db2.gz WLIHIPWTFYYUJX-UHFFFAOYSA-N -1 0 349.387 3.025 20 30 EGEDRM CC(C)(C)c1cc([N-]S(=O)(=O)c2cc(C#N)ccc2F)sn1 ZINC001190617823 1367309724 /nfs/dbraw/zinc/30/97/24/1367309724.db2.gz RNGPBXHERUEOHS-UHFFFAOYSA-N -1 0 339.417 3.252 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc3ccncc3c2)c1 ZINC001190647946 1367315088 /nfs/dbraw/zinc/31/50/88/1367315088.db2.gz NQMCFHNTJFQONT-UHFFFAOYSA-N -1 0 327.340 3.046 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]c2cc(CCc3ccccc3)no2)CC1 ZINC001190765899 1367345251 /nfs/dbraw/zinc/34/52/51/1367345251.db2.gz JAVOVLOYUJBVON-UHFFFAOYSA-N -1 0 332.425 3.310 20 30 EGEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc3oncc3c2)c1 ZINC001190969911 1367391627 /nfs/dbraw/zinc/39/16/27/1367391627.db2.gz RRLYOAJISZJCSQ-UHFFFAOYSA-N -1 0 333.756 3.154 20 30 EGEDRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccc(C#N)s2)c1 ZINC001191157817 1367435831 /nfs/dbraw/zinc/43/58/31/1367435831.db2.gz LLXGVIWRWYZIJE-UHFFFAOYSA-N -1 0 329.406 3.277 20 30 EGEDRM CCCCc1ccc(S(=O)(=O)[N-]c2cc(C)cnc2C#N)cc1 ZINC001191233959 1367454457 /nfs/dbraw/zinc/45/44/57/1367454457.db2.gz VRJRRPVHIIVKEG-UHFFFAOYSA-N -1 0 329.425 3.405 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(-n3cccc3)ccc2F)s1 ZINC001325061388 1387893741 /nfs/dbraw/zinc/89/37/41/1387893741.db2.gz QCTQBAOQEVEPBC-UHFFFAOYSA-N -1 0 347.396 3.350 20 30 EGEDRM N#Cc1cc(NC(=O)c2cccc(-c3cccnc3)n2)c([O-])cc1F ZINC001192192194 1367712278 /nfs/dbraw/zinc/71/22/78/1367712278.db2.gz QQJGYQZWMTTYQL-UHFFFAOYSA-N -1 0 334.310 3.112 20 30 EGEDRM NC(=NC(=O)c1ccc(F)c(F)c1[O-])c1ccc2cc(O)ccc2c1 ZINC001192817618 1367880919 /nfs/dbraw/zinc/88/09/19/1367880919.db2.gz HUEBHCCHQVDXCC-UHFFFAOYSA-N -1 0 342.301 3.075 20 30 EGEDRM CC(=O)c1sc(-c2ccccc2)cc1[N-]S(=O)(=O)[C@H](C)C#N ZINC001193104297 1367945959 /nfs/dbraw/zinc/94/59/59/1367945959.db2.gz HDJBPOMWDQHCBR-SNVBAGLBSA-N -1 0 334.422 3.271 20 30 EGEDRM N#Cc1cccc(C(=O)N2CCC3(C=Cc4ccccc43)CC2)c1[O-] ZINC001193642645 1368081262 /nfs/dbraw/zinc/08/12/62/1368081262.db2.gz LHNVJTNCRLOTQV-UHFFFAOYSA-N -1 0 330.387 3.465 20 30 EGEDRM C[C@@H]1OC2(CCN(C(=O)c3cccc(C#N)c3[O-])CC2)c2ccccc21 ZINC001193647325 1368083044 /nfs/dbraw/zinc/08/30/44/1368083044.db2.gz ZUPALWJIKNWQQL-AWEZNQCLSA-N -1 0 348.402 3.487 20 30 EGEDRM COc1ccc(-n2cccc2)c(NC(=O)c2cccc(C#N)c2[O-])c1 ZINC001193653346 1368085987 /nfs/dbraw/zinc/08/59/87/1368085987.db2.gz XELLBYHIWRXGGX-UHFFFAOYSA-N -1 0 333.347 3.315 20 30 EGEDRM CCc1cccc(CC)c1[N-]S(=O)(=O)c1cc(OC)ccc1C#N ZINC001193680717 1368093086 /nfs/dbraw/zinc/09/30/86/1368093086.db2.gz BTGYXAZFZQXVHZ-UHFFFAOYSA-N -1 0 344.436 3.492 20 30 EGEDRM CCCc1ccccc1[N-]S(=O)(=O)c1cc(OC)ccc1C#N ZINC001193681404 1368093101 /nfs/dbraw/zinc/09/31/01/1368093101.db2.gz XGPIJJYFLOGEDB-UHFFFAOYSA-N -1 0 330.409 3.320 20 30 EGEDRM COc1ccc(C#N)c(S(=O)(=O)Nc2cccc(C)c2Cl)c1 ZINC001193689461 1368095776 /nfs/dbraw/zinc/09/57/76/1368095776.db2.gz SSKZFBWDOPKGMA-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2nc(Cl)c(Cl)nc2Cl)c([O-])c1 ZINC001195741213 1368481019 /nfs/dbraw/zinc/48/10/19/1368481019.db2.gz QSPQLMWQZBFXMD-UHFFFAOYSA-N -1 0 343.557 3.266 20 30 EGEDRM CC1(C)CC(=O)Nc2c(NC(=O)c3ccc(C#N)cc3[O-])cccc21 ZINC001195757589 1368483498 /nfs/dbraw/zinc/48/34/98/1368483498.db2.gz FALVJSXZXKJUQF-UHFFFAOYSA-N -1 0 335.363 3.136 20 30 EGEDRM N#Cc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc(O)cc1 ZINC001195796458 1368492159 /nfs/dbraw/zinc/49/21/59/1368492159.db2.gz NWYZKRALFBPDFZ-UHFFFAOYSA-N -1 0 342.298 3.083 20 30 EGEDRM Cc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)cc1C#N ZINC001196680111 1368660860 /nfs/dbraw/zinc/66/08/60/1368660860.db2.gz YDUKZWSCOKTYDH-UHFFFAOYSA-N -1 0 331.784 3.193 20 30 EGEDRM N#Cc1cc(S(=O)(=O)[N-]c2cccs2)ccc1Br ZINC001197278976 1368778594 /nfs/dbraw/zinc/77/85/94/1368778594.db2.gz GUMAAKYQACWKBT-UHFFFAOYSA-N -1 0 343.227 3.183 20 30 EGEDRM N#Cc1ccnc([N-]S(=O)(=O)Cc2cccc(Cl)c2Cl)c1 ZINC001197716783 1368879427 /nfs/dbraw/zinc/87/94/27/1368879427.db2.gz SQNFQXWYWMNYRQ-UHFFFAOYSA-N -1 0 342.207 3.202 20 30 EGEDRM Cc1ccnc(S(=O)(=O)[N-]c2oc(-c3ccccc3)cc2C#N)c1 ZINC001197964909 1368934224 /nfs/dbraw/zinc/93/42/24/1368934224.db2.gz MMWGYZARYUMGNW-UHFFFAOYSA-N -1 0 339.376 3.323 20 30 EGEDRM Cc1ccnc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2C#N)c1 ZINC001197998687 1368939316 /nfs/dbraw/zinc/93/93/16/1368939316.db2.gz GEYDKWMGNFBKSG-UHFFFAOYSA-N -1 0 341.314 3.081 20 30 EGEDRM Cc1ccnc(S(=O)(=O)[N-]c2cc(C#N)ccc2C(F)(F)F)c1 ZINC001198005251 1368940196 /nfs/dbraw/zinc/94/01/96/1368940196.db2.gz DUHHKWLDRAVAJH-UHFFFAOYSA-N -1 0 341.314 3.081 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2C#N)cn1 ZINC001198314932 1369007221 /nfs/dbraw/zinc/00/72/21/1369007221.db2.gz LTQYHLIPRRUUJV-UHFFFAOYSA-N -1 0 341.314 3.081 20 30 EGEDRM N#Cc1ccc(Cl)nc1[N-]S(=O)(=O)c1ccc2occc2c1 ZINC001198826458 1369122575 /nfs/dbraw/zinc/12/25/75/1369122575.db2.gz MFMCHYFANGAJFR-UHFFFAOYSA-N -1 0 333.756 3.154 20 30 EGEDRM C=CCc1c(F)c(F)c(C(=O)[N-]c2onc(C)c2C#N)c(F)c1F ZINC001186703983 1387999188 /nfs/dbraw/zinc/99/91/88/1387999188.db2.gz DVBWIBSUHSDSQX-UHFFFAOYSA-N -1 0 339.248 3.392 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2cnc3c(F)cccc3c2)cc1C#N ZINC001201294951 1369513004 /nfs/dbraw/zinc/51/30/04/1369513004.db2.gz GQEJEQZWWWLYST-UHFFFAOYSA-N -1 0 341.367 3.355 20 30 EGEDRM Cc1cc([N-]S(=O)(=O)c2cc3c(s2)CCCC3)cnc1C#N ZINC001187185239 1388066512 /nfs/dbraw/zinc/06/65/12/1388066512.db2.gz SFUDPTPZAQMKKN-UHFFFAOYSA-N -1 0 333.438 3.003 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)c2cc3c(s2)CCCC3)c(O)c1 ZINC001187215214 1388073591 /nfs/dbraw/zinc/07/35/91/1388073591.db2.gz LHJUPEFLSJCJSV-UHFFFAOYSA-N -1 0 334.422 3.005 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)c2cc3c(s2)CCCC3)c(C#N)c1 ZINC001187218671 1388074506 /nfs/dbraw/zinc/07/45/06/1388074506.db2.gz KDYULXXPRXUBGB-UHFFFAOYSA-N -1 0 343.433 3.171 20 30 EGEDRM CC1(C)CCc2[nH]c(=O)c(C(=O)Nc3cc(C#N)ccc3[O-])cc2C1 ZINC001116395554 1370902557 /nfs/dbraw/zinc/90/25/57/1370902557.db2.gz FWQXQONHWUBWQB-UHFFFAOYSA-N -1 0 337.379 3.132 20 30 EGEDRM C=CCC[C@H](NC(=O)N[C@@H](C)c1ccc(Cl)c(F)c1)C(=O)[O-] ZINC001117851297 1371101367 /nfs/dbraw/zinc/10/13/67/1371101367.db2.gz BXTUTGRDSANBOV-ZANVPECISA-N -1 0 328.771 3.259 20 30 EGEDRM C=CC[C@H](NC(=O)/C=C\c1ccc2cc(OC)ccc2c1)C(=O)[O-] ZINC001119636114 1371380717 /nfs/dbraw/zinc/38/07/17/1371380717.db2.gz ZDAYWLNXQQDYFB-IVEQORNPSA-N -1 0 325.364 3.007 20 30 EGEDRM C=CC[C@H](NC(=O)N[C@@H](CC)c1ccccc1OC(F)F)C(=O)[O-] ZINC001119714740 1371392817 /nfs/dbraw/zinc/39/28/17/1371392817.db2.gz GXGDGTYIENRJNV-RYUDHWBXSA-N -1 0 342.342 3.068 20 30 EGEDRM COc1ccc(Nc2cnc(C#N)c(C(F)(F)F)c2)cc1C(=O)[O-] ZINC001209901227 1372227869 /nfs/dbraw/zinc/22/78/69/1372227869.db2.gz NDOQIKSXGWBPMM-UHFFFAOYSA-N -1 0 337.257 3.422 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)C(=O)NCc2ccccc2)c(C)n1CC1CC1 ZINC001122499973 1372261595 /nfs/dbraw/zinc/26/15/95/1372261595.db2.gz QXDQSNKCYBSDDG-IBGZPJMESA-N -1 0 349.434 3.154 20 30 EGEDRM COc1ccc(C(=O)[O-])cc1Nc1ccc(C#N)nc1Br ZINC001210252854 1372306262 /nfs/dbraw/zinc/30/62/62/1372306262.db2.gz QVUCDKNSPQVDRX-UHFFFAOYSA-N -1 0 348.156 3.166 20 30 EGEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1ncc(C)cc1C)c1ccccc1 ZINC001122954778 1372347389 /nfs/dbraw/zinc/34/73/89/1372347389.db2.gz FKKXIDKBQGDWIV-SJORKVTESA-N -1 0 335.407 3.288 20 30 EGEDRM C[C@@H]1CC(=O)C=C(Nc2ccc3c(O)cc(S(=O)(=O)[O-])cc3c2)C1 ZINC001210772957 1372424179 /nfs/dbraw/zinc/42/41/79/1372424179.db2.gz OUNAOAQDXRFVEB-JTQLQIEISA-N -1 0 347.392 3.087 20 30 EGEDRM Cc1cc(Nc2cc(Br)cnc2C#N)ccc1C(=O)[O-] ZINC001211650321 1372595508 /nfs/dbraw/zinc/59/55/08/1372595508.db2.gz ZDWDMAGLUJOAAW-UHFFFAOYSA-N -1 0 332.157 3.466 20 30 EGEDRM CNC(=O)c1cc(C#N)cc(C)c1Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001211969644 1372642497 /nfs/dbraw/zinc/64/24/97/1372642497.db2.gz SYIKQHMUCQQTJJ-UHFFFAOYSA-N -1 0 343.770 3.322 20 30 EGEDRM CC(C)NC(=O)COc1cccc(Nc2cc(C#N)c(F)cc2[O-])c1 ZINC001212984268 1372812260 /nfs/dbraw/zinc/81/22/60/1372812260.db2.gz IZGRZAOBEDLTOM-UHFFFAOYSA-N -1 0 343.358 3.050 20 30 EGEDRM N#Cc1ccc(-c2noc(-c3cc(Cl)nc(Cl)c3[O-])n2)nc1 ZINC001213237021 1372865478 /nfs/dbraw/zinc/86/54/78/1372865478.db2.gz PUYJNMINZVOMIS-UHFFFAOYSA-N -1 0 334.122 3.078 20 30 EGEDRM CCOc1ccc(C(=O)[O-])cc1Nc1c(C#N)cnn1C(C)(C)C ZINC001214267197 1373034395 /nfs/dbraw/zinc/03/43/95/1373034395.db2.gz HMFOUBMVLWHQAV-UHFFFAOYSA-N -1 0 328.372 3.350 20 30 EGEDRM COc1ccc(Nc2ccc(S(=O)(=O)[O-])cc2Cl)cc1C#N ZINC001215004742 1373154333 /nfs/dbraw/zinc/15/43/33/1373154333.db2.gz YUJLGWOEIZJGSZ-UHFFFAOYSA-N -1 0 338.772 3.211 20 30 EGEDRM N#Cc1cc(N)c(Nc2cnc(F)c(C(=O)[O-])c2)cc1C(F)(F)F ZINC001215117764 1373172643 /nfs/dbraw/zinc/17/26/43/1373172643.db2.gz JNLZTLPLJSINSJ-UHFFFAOYSA-N -1 0 340.236 3.135 20 30 EGEDRM N#Cc1cc(Nc2cc(=O)[n-]c(Cl)n2)ccc1OC1CCOCC1 ZINC001216665989 1373329105 /nfs/dbraw/zinc/32/91/05/1373329105.db2.gz MXXUXLNZONMTJY-UHFFFAOYSA-N -1 0 346.774 3.009 20 30 EGEDRM N#Cc1cc(-c2nc(-c3ccncc3Br)no2)ccc1[O-] ZINC001216969625 1373373205 /nfs/dbraw/zinc/37/32/05/1373373205.db2.gz JNFIGOMSAPSAPJ-UHFFFAOYSA-N -1 0 343.140 3.138 20 30 EGEDRM N#Cc1cccc(-c2nc(-c3ccc(F)c4c3C(=O)CC4)no2)c1[O-] ZINC001216979750 1373374408 /nfs/dbraw/zinc/37/44/08/1373374408.db2.gz IEPRLRQKPLVWJP-UHFFFAOYSA-N -1 0 335.294 3.249 20 30 EGEDRM COc1cc(F)c(F)cc1-c1noc(-c2cccc(C#N)c2[O-])n1 ZINC001216980207 1373375033 /nfs/dbraw/zinc/37/50/33/1373375033.db2.gz VHFVOJNFHVDPTJ-UHFFFAOYSA-N -1 0 329.262 3.268 20 30 EGEDRM COc1ccccc1-c1noc(-c2cc(=O)c3cc(C#N)ccc3[n-]2)n1 ZINC001217502677 1373455854 /nfs/dbraw/zinc/45/58/54/1373455854.db2.gz JQDCSXVUIWUNNA-UHFFFAOYSA-N -1 0 344.330 3.125 20 30 EGEDRM COc1ccc(NC(=O)Nc2cc(C#N)c(F)cc2[O-])c(OC)c1 ZINC001188552022 1388328849 /nfs/dbraw/zinc/32/88/49/1388328849.db2.gz QROZVVWGBPFZGZ-UHFFFAOYSA-N -1 0 331.303 3.064 20 30 EGEDRM [O-]/N=C(\O[C@@H]1COc2cnccc21)c1ccccc1Br ZINC001223885700 1375046937 /nfs/dbraw/zinc/04/69/37/1375046937.db2.gz GJBAKVBBGONSDI-CLBVAXQTSA-N -1 0 335.157 3.130 20 30 EGEDRM C=CC[C@@H](NC(=O)[C@@H](C)Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001327013007 1388364533 /nfs/dbraw/zinc/36/45/33/1388364533.db2.gz HEPSFEFICNMNTM-GXFFZTMASA-N -1 0 329.318 3.030 20 30 EGEDRM C=C[C@H](CCCCC)Oc1c(C(=O)OCC)c[nH]c(=O)c1[N+](=O)[O-] ZINC001226307564 1375236787 /nfs/dbraw/zinc/23/67/87/1375236787.db2.gz NDSONQNHYYVXRZ-LLVKDONJSA-N -1 0 338.360 3.386 20 30 EGEDRM C#Cc1nccnc1[N-]S(=O)(=O)c1ccc2oc3ccccc3c2c1 ZINC001188802745 1388379846 /nfs/dbraw/zinc/37/98/46/1388379846.db2.gz CMLLJFJUZAJPOG-UHFFFAOYSA-N -1 0 349.371 3.158 20 30 EGEDRM C=C[C@@H](Oc1ccccc1C([O-])=CC(=O)c1ccccc1)C(=O)OC ZINC001228511363 1375584000 /nfs/dbraw/zinc/58/40/00/1375584000.db2.gz DLBAMMXMIGXGBZ-GOSISDBHSA-N -1 0 338.359 3.249 20 30 EGEDRM C=C[C@H](Oc1ccccc1C([O-])=CC(=O)c1ccccc1)C(=O)OC ZINC001228511364 1375584686 /nfs/dbraw/zinc/58/46/86/1375584686.db2.gz DLBAMMXMIGXGBZ-SFHVURJKSA-N -1 0 338.359 3.249 20 30 EGEDRM C=C[C@]1(C)CC[C@H](Oc2nc(C3CC3)[n-]c(=O)c2[N+](=O)[O-])C(C)(C)O1 ZINC001228609778 1375615602 /nfs/dbraw/zinc/61/56/02/1375615602.db2.gz IMGOBJILQUTTNL-APPDUMDISA-N -1 0 349.387 3.249 20 30 EGEDRM C#C[C@H](COc1cccc(Cl)c1)Oc1cc(O)cc([O-])c1[N+](=O)[O-] ZINC001228974074 1375728570 /nfs/dbraw/zinc/72/85/70/1375728570.db2.gz ONPPACLJCZDHFT-GFCCVEGCSA-N -1 0 349.726 3.119 20 30 EGEDRM Cc1cc(=O)oc2c1ccc([O-])c2CN(CCC#N)Cc1cccnc1 ZINC001139126696 1377835267 /nfs/dbraw/zinc/83/52/67/1377835267.db2.gz MYLJIFAKSRFFLU-UHFFFAOYSA-N -1 0 349.390 3.118 20 30 EGEDRM CCc1cc(NC(=O)c2c[n-]c3cccnc3c2=O)cc(CC)c1C#N ZINC001153858266 1380145230 /nfs/dbraw/zinc/14/52/30/1380145230.db2.gz UYWFYMFQQYYPSL-UHFFFAOYSA-N -1 0 346.390 3.172 20 30 EGEDRM Cc1c(C(=O)Nc2cc(C#N)c(F)cc2[O-])nc2cc(Cl)ccn12 ZINC001155472908 1380457323 /nfs/dbraw/zinc/45/73/23/1380457323.db2.gz JPELYUDULYVTNQ-UHFFFAOYSA-N -1 0 344.733 3.265 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(NCCCCC#N)cn2)cc1 ZINC001168429091 1383904535 /nfs/dbraw/zinc/90/45/35/1383904535.db2.gz IXBYXFLJQQSTRV-UHFFFAOYSA-N -1 0 344.440 3.297 20 30 EGEDRM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(Nc2ccc(C#N)c(C)n2)c1 ZINC001307115660 1383942592 /nfs/dbraw/zinc/94/25/92/1383942592.db2.gz BACOSDWNAISKOX-UHFFFAOYSA-N -1 0 348.328 3.492 20 30 EGEDRM CN(C)c1ccc(/C=C/C(=O)Nc2cc(C#N)c(F)cc2[O-])cc1 ZINC001180128947 1386706632 /nfs/dbraw/zinc/70/66/32/1386706632.db2.gz ZASQCOPCQFLPTJ-VMPITWQZSA-N -1 0 325.343 3.121 20 30 EGEDRM C=CC[C@H](NC(=O)C[C@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC001321166614 1386828075 /nfs/dbraw/zinc/82/80/75/1386828075.db2.gz HOMATQABXFTWJS-GWCFXTLKSA-N -1 0 329.318 3.345 20 30 EGEDRM C=C1CCC(C(=O)[N-]S(=O)(=O)c2cccc3ccccc32)CC1 ZINC001331916541 1389909467 /nfs/dbraw/zinc/90/94/67/1389909467.db2.gz GOKSSLUSAPGPHO-UHFFFAOYSA-N -1 0 329.421 3.391 20 30 EGEDRM C#CC[C@H](NC(=O)N1CCCC[C@H]1CCC(=O)[O-])c1ccccc1 ZINC001339859240 1390177340 /nfs/dbraw/zinc/17/73/40/1390177340.db2.gz VAMQOYVXJOSBFN-IRXDYDNUSA-N -1 0 328.412 3.180 20 30 EGEDRM CCCOc1ccccc1[N-]S(=O)(=O)c1ccc(CC#N)cc1 ZINC001339877473 1390181428 /nfs/dbraw/zinc/18/14/28/1390181428.db2.gz AYYJZSYTHAGTDE-UHFFFAOYSA-N -1 0 330.409 3.342 20 30 EGEDRM N#CCc1ccc(S(=O)(=O)[N-]c2ccccc2OCC2CC2)cc1 ZINC001339878857 1390181486 /nfs/dbraw/zinc/18/14/86/1390181486.db2.gz FRVFVLMZLCIZLA-UHFFFAOYSA-N -1 0 342.420 3.342 20 30 EGEDRM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1cnc(Cl)cc1Cl ZINC001341894116 1390546009 /nfs/dbraw/zinc/54/60/09/1390546009.db2.gz OIYWWFMKOMQMTR-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM N#CC(=C([O-])c1cnc(C2CC2)o1)c1nccn1Cc1ccccc1 ZINC001342269336 1390593660 /nfs/dbraw/zinc/59/36/60/1390593660.db2.gz UYTFRLYYIOFZHE-OAHLLOKOSA-N -1 0 332.363 3.287 20 30 EGEDRM N#CC(=C([O-])c1ccn(CCC(F)(F)F)n1)c1nc2ccccc2o1 ZINC001343704203 1390732081 /nfs/dbraw/zinc/73/20/81/1390732081.db2.gz HTAOARXRCNEXIX-SNVBAGLBSA-N -1 0 348.284 3.467 20 30 EGEDRM COc1ccc(-c2cc(C([O-])=C(C#N)c3cccc(F)n3)n[nH]2)cc1 ZINC001344585236 1390801135 /nfs/dbraw/zinc/80/11/35/1390801135.db2.gz ARDCOCFTPOCUAO-ZDUSSCGKSA-N -1 0 336.326 3.109 20 30 EGEDRM CCn1ccnc1C(C#N)=C([O-])c1nc(-c2cccs2)oc1C ZINC001345647329 1390871766 /nfs/dbraw/zinc/87/17/66/1390871766.db2.gz WLOOSGOHDLZONJ-LLVKDONJSA-N -1 0 326.381 3.418 20 30 EGEDRM C[C@@H]1CCC[C@H](CCSc2nc(N)c(C#N)cc2-c2nn[n-]n2)C1 ZINC000820697681 1428790165 /nfs/dbraw/zinc/79/01/65/1428790165.db2.gz KJGHIWGUAHHNDQ-GHMZBOCLSA-N -1 0 343.460 3.024 20 30 EGEDRM C[C@@H](CN=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)Cc1ccccc1 ZINC000824385172 1428873907 /nfs/dbraw/zinc/87/39/07/1428873907.db2.gz NLNVJEWMVIRCKI-LLVKDONJSA-N -1 0 341.806 3.192 20 30 EGEDRM COc1ccc(CON=Cc2ccc(Cl)cc2)cc1-c1nn[n-]n1 ZINC000826206644 1429459049 /nfs/dbraw/zinc/45/90/49/1429459049.db2.gz FODDMPZRNDPUDW-UHFFFAOYSA-N -1 0 343.774 3.079 20 30 EGEDRM COc1ccc2c(c1)CCC(=Cc1ccc(-c3nn[n-]n3)s1)C2=O ZINC000821849602 1423409367 /nfs/dbraw/zinc/40/93/67/1423409367.db2.gz MVGVBINLRNYVSZ-LUAWRHEFSA-N -1 0 338.392 3.149 20 30 EGEDRM Clc1cc(-c2nn[n-]n2)cc(N=NC[C@@H]2CCc3ccccc32)n1 ZINC000826350073 1424522748 /nfs/dbraw/zinc/52/27/48/1424522748.db2.gz HCBREVPZWPUNDN-NSHDSACASA-N -1 0 339.790 3.043 20 30 EGEDRM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1cccc(F)c1F ZINC000823504281 1425447829 /nfs/dbraw/zinc/44/78/29/1425447829.db2.gz OJSCWBMKEKUKMG-XFXZXTDPSA-N -1 0 338.317 3.357 20 30 EGEDRM C=CCOc1ccc(OCc2ccc(OC)c(-c3nn[n-]n3)c2)cc1 ZINC000823932031 1425853608 /nfs/dbraw/zinc/85/36/08/1425853608.db2.gz KZKXYQIUYFZJHK-UHFFFAOYSA-N -1 0 338.367 3.019 20 30 EGEDRM COC(=O)CCCC[C@@H](C)C(C)N=Nc1cccc(-c2nn[n-]n2)c1 ZINC000821659977 1426496293 /nfs/dbraw/zinc/49/62/93/1426496293.db2.gz ASVLCJUZPMQIKC-GFCCVEGCSA-N -1 0 344.419 3.024 20 30 EGEDRM C[C@@H](N=Cc1cc(Cl)ccc1O)c1cccc(-c2nn[n-]n2)c1 ZINC000820307550 1426516794 /nfs/dbraw/zinc/51/67/94/1426516794.db2.gz NPWVDNZUNYRMCJ-SVXRXWARSA-N -1 0 327.775 3.406 20 30 EGEDRM CCOc1cccc(C=N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1O ZINC000821427500 1441637872 /nfs/dbraw/zinc/63/78/72/1441637872.db2.gz UHIZDPYRBREJHQ-MKFNJMOCSA-N -1 0 337.383 3.151 20 30 EGEDRM COc1ccc(C)cc1C=CC(=O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826189820 1441717367 /nfs/dbraw/zinc/71/73/67/1441717367.db2.gz GFKWDTBJLCJPJI-FNORWQNLSA-N -1 0 338.342 3.219 20 30 EGEDRM CC1(C)CC(N=Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C(C)(C)O1 ZINC000824790853 1442054565 /nfs/dbraw/zinc/05/45/65/1442054565.db2.gz SSKAZKFYISIBTQ-UHFFFAOYSA-N -1 0 334.811 3.266 20 30 EGEDRM O=C1c2ccc(Cl)cc2CC1=Cc1cc(-c2nnn[n-]2)cs1 ZINC000823503373 1442271245 /nfs/dbraw/zinc/27/12/45/1442271245.db2.gz FBSVOXYRDNWPDB-UITAMQMPSA-N -1 0 328.784 3.404 20 30 EGEDRM Cc1c(Cl)cnc(N[C@H](C)c2cccc(C#N)c2)c1-c1nn[n-]n1 ZINC000826238425 1442355162 /nfs/dbraw/zinc/35/51/62/1442355162.db2.gz GCNQPZNTYVVNIW-SNVBAGLBSA-N -1 0 339.790 3.268 20 30 EGEDRM CC(C)(C)c1ccc(C=NNCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000819958533 1443085152 /nfs/dbraw/zinc/08/51/52/1443085152.db2.gz NUJZELUQVPYUOA-UHFFFAOYSA-N -1 0 334.427 3.288 20 30 EGEDRM N#Cc1ccc(OCc2cc(F)ccc2-c2nn[n-]n2)c(Cl)c1 ZINC000822833829 1443395774 /nfs/dbraw/zinc/39/57/74/1443395774.db2.gz WRNGYXGPCGRVIJ-UHFFFAOYSA-N -1 0 329.722 3.110 20 30 EGEDRM Cc1cc(C)c(C#N)c(SCc2ccc(F)c(-c3nn[n-]n3)c2)n1 ZINC000822193340 1446181938 /nfs/dbraw/zinc/18/19/38/1446181938.db2.gz TZQUJUNUPAGJKV-UHFFFAOYSA-N -1 0 340.387 3.182 20 30 EGEDRM N#Cc1ccc(N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000826385341 1446294020 /nfs/dbraw/zinc/29/40/20/1446294020.db2.gz IACQEXVCWBAMGX-UHFFFAOYSA-N -1 0 328.379 3.032 20 30 EGEDRM C=C(C)CCNC(=O)N[C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000909032663 939372268 /nfs/dbraw/zinc/37/22/68/939372268.db2.gz YOYQWULPJUASSQ-GFCCVEGCSA-N -1 0 330.306 3.097 20 30 EGEDRM C=C(C)CCC(=O)N[C@@H](C(=O)[O-])c1ccc(Br)cc1 ZINC001123264724 939816804 /nfs/dbraw/zinc/81/68/04/939816804.db2.gz SVBRJPZPRRZKLJ-CYBMUJFWSA-N -1 0 326.190 3.047 20 30 EGEDRM C=CC[C@H](Cc1ccccc1)NC(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC001602718103 971372549 /nfs/dbraw/zinc/37/25/49/971372549.db2.gz DPCYZDAVBRUCTQ-DLBZAZTESA-N -1 0 332.444 3.220 20 30 EGEDRM C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@@](CC)(C(=O)[O-])C1 ZINC001602718477 971375010 /nfs/dbraw/zinc/37/50/10/971375010.db2.gz NKWDXVKCIJBVNG-FXAWDEMLSA-N -1 0 344.455 3.460 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC001602781413 971524635 /nfs/dbraw/zinc/52/46/35/971524635.db2.gz ZWGNUDLHQDKWDQ-DDUZABMNSA-N -1 0 348.830 3.487 20 30 EGEDRM CC(C)(C)CC[C@@H](NC(=O)c1ccc2c(C#N)c[nH]c2c1)C(=O)[O-] ZINC001602860434 971715193 /nfs/dbraw/zinc/71/51/93/971715193.db2.gz AMKGUWDIGCWQHM-CQSZACIVSA-N -1 0 327.384 3.049 20 30 EGEDRM N#CC1(c2ccc(COC(=O)/C=C\c3ccc(C(=O)[O-])o3)cc2)CC1 ZINC001594601562 956136718 /nfs/dbraw/zinc/13/67/18/956136718.db2.gz CXLZEJOYAXXIBL-VURMDHGXSA-N -1 0 337.331 3.290 20 30 EGEDRM N#Cc1ccc(Cn2cc(NCc3ccc(C(=O)[O-])s3)cn2)cc1 ZINC001594619559 956269986 /nfs/dbraw/zinc/26/99/86/956269986.db2.gz HUFZHTDORUBAFC-UHFFFAOYSA-N -1 0 338.392 3.175 20 30 EGEDRM N#Cc1ccc(Oc2cccc(NC(=O)[C@@H]3CC[C@H]3C(=O)[O-])c2)cc1 ZINC001594625705 956312392 /nfs/dbraw/zinc/31/23/92/956312392.db2.gz UIBQWIUHGMTSMB-IAGOWNOFSA-N -1 0 336.347 3.400 20 30 EGEDRM C=CCOc1ccc(CNC(=O)N2CCCC[C@H]2CCC(=O)[O-])cc1 ZINC001356632166 958184430 /nfs/dbraw/zinc/18/44/30/958184430.db2.gz XCHTWGNBEIUVON-INIZCTEOSA-N -1 0 346.427 3.180 20 30 EGEDRM C#CCSCC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](CC)C2 ZINC001588433168 958293335 /nfs/dbraw/zinc/29/33/35/958293335.db2.gz LYNJQUKDGNYHTP-SNVBAGLBSA-N -1 0 337.466 3.266 20 30 EGEDRM C#CCOc1ccc(F)cc1NC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC001588433524 958298345 /nfs/dbraw/zinc/29/83/45/958298345.db2.gz ONSCYDJFRQYNJU-AWEZNQCLSA-N -1 0 348.374 3.089 20 30 EGEDRM C#Cc1ccc(NC(=O)N2CCC[C@@](CC)(C(=O)[O-])C2)c(Cl)c1 ZINC001588438902 958306942 /nfs/dbraw/zinc/30/69/42/958306942.db2.gz IWXHLSKEUQWDSD-QGZVFWFLSA-N -1 0 334.803 3.430 20 30 EGEDRM CCOc1ccccc1/C=C\C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000097993460 958355673 /nfs/dbraw/zinc/35/56/73/958355673.db2.gz JNEPJNGNCSIJPR-XFXZXTDPSA-N -1 0 326.348 3.445 20 30 EGEDRM C=CCC[C@H](C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)c1ccccc1 ZINC001588457294 958447722 /nfs/dbraw/zinc/44/77/22/958447722.db2.gz TUEUHWPSWUJOQT-OKZBNKHCSA-N -1 0 327.424 3.306 20 30 EGEDRM C=CCCC(=O)Nc1ccc(COC(=O)[C@@H](C(=O)[O-])C(C)(C)C)cc1 ZINC001573328429 958499608 /nfs/dbraw/zinc/49/96/08/958499608.db2.gz HXFOIFPRFTVZTD-MRXNPFEDSA-N -1 0 347.411 3.381 20 30 EGEDRM C=C[C@H](CC(=O)Nc1nc2ccccn2c1C(=O)[O-])c1ccccc1 ZINC001573329748 958511697 /nfs/dbraw/zinc/51/16/97/958511697.db2.gz MACHPWWGBJJBLB-CYBMUJFWSA-N -1 0 335.363 3.331 20 30 EGEDRM C=C[C@H](CC)CC(=O)Nc1sc(C(=O)OCC)c(C)c1C(=O)[O-] ZINC001573329813 958513604 /nfs/dbraw/zinc/51/36/04/958513604.db2.gz NMFQOCNHQXBQBI-SNVBAGLBSA-N -1 0 339.413 3.472 20 30 EGEDRM Cc1cccc([C@@H](NC(=O)[C@@H](C#N)CCc2ccccc2)C(=O)[O-])c1 ZINC001594390224 958703813 /nfs/dbraw/zinc/70/38/13/958703813.db2.gz GWUJHJFYOZORPY-QZTJIDSGSA-N -1 0 336.391 3.010 20 30 EGEDRM CC(C)(C)c1ccc(C(C)(C)CNC(=O)[C@@](C)(C#N)CC(=O)[O-])cc1 ZINC001588538655 958944720 /nfs/dbraw/zinc/94/47/20/958944720.db2.gz LXTDDOWJJBQVIB-HXUWFJFHSA-N -1 0 344.455 3.382 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1cccc(-c2nc3ccccc3o2)c1 ZINC001588540098 958958126 /nfs/dbraw/zinc/95/81/26/958958126.db2.gz QQNODAYIXJZZNZ-IBGZPJMESA-N -1 0 349.346 3.438 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc2[nH]c(-c3ccccc3)nc2c1 ZINC001588541756 958965644 /nfs/dbraw/zinc/96/56/44/958965644.db2.gz LOTPTDDZKIKJNW-IBGZPJMESA-N -1 0 348.362 3.173 20 30 EGEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)N([C@@H](C)C(=O)[O-])C1CC1 ZINC001588543426 958977729 /nfs/dbraw/zinc/97/77/29/958977729.db2.gz LQCIGKPXRXJHRK-RYUDHWBXSA-N -1 0 347.440 3.408 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NCCCc1c(Cl)cccc1Cl ZINC001588556440 959056996 /nfs/dbraw/zinc/05/69/96/959056996.db2.gz DDIRPDAWCUANSW-HNNXBMFYSA-N -1 0 343.210 3.047 20 30 EGEDRM Cc1c2cc(C#N)ccc2sc1C(=O)N1CCC[C@]1(C)C(=O)[O-] ZINC001594256806 959657161 /nfs/dbraw/zinc/65/71/61/959657161.db2.gz YWZKJZLZNCQWNC-QGZVFWFLSA-N -1 0 328.393 3.161 20 30 EGEDRM CC(C)(C)CC[C@@H](Nc1cc(C#N)c(Br)cn1)C(=O)[O-] ZINC001588652770 959782959 /nfs/dbraw/zinc/78/29/59/959782959.db2.gz FVYFBENMZYSHEC-LLVKDONJSA-N -1 0 340.221 3.407 20 30 EGEDRM CC(C)N(CCC#N)Cc1ccc(C(=O)[O-])cc1Br ZINC000226725121 959898167 /nfs/dbraw/zinc/89/81/67/959898167.db2.gz VHKKVPHBCRHPKX-UHFFFAOYSA-N -1 0 325.206 3.271 20 30 EGEDRM C[C@@H]1CN(c2cc(C(F)(F)F)c(F)cc2C#N)CC[C@@H]1C(=O)[O-] ZINC001573745829 960490324 /nfs/dbraw/zinc/49/03/24/960490324.db2.gz HCVYBOYDXKDFKR-SCZZXKLOSA-N -1 0 330.281 3.263 20 30 EGEDRM CCCCCCCC[C@@H](C)CC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001573841765 961090144 /nfs/dbraw/zinc/09/01/44/961090144.db2.gz ZVOUUJWPIRBLKZ-GJYPPUQNSA-N -1 0 339.476 3.323 20 30 EGEDRM CC(C)(C)c1ccc([C@@H](C#N)NC(=O)C2(CC(=O)[O-])CCC2)cc1 ZINC001588739346 961148204 /nfs/dbraw/zinc/14/82/04/961148204.db2.gz BPGRQDBHEPTMNF-OAHLLOKOSA-N -1 0 328.412 3.310 20 30 EGEDRM CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001588748846 961208196 /nfs/dbraw/zinc/20/81/96/961208196.db2.gz AOQZZXUPKLBJAX-CYBMUJFWSA-N -1 0 346.431 3.223 20 30 EGEDRM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@@]1(C(=O)[O-])CC1(C)C ZINC001588870987 962078992 /nfs/dbraw/zinc/07/89/92/962078992.db2.gz CGPBNGOEDXLMIU-LJQANCHMSA-N -1 0 328.412 3.044 20 30 EGEDRM C#CC[C@@H](NC(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2)C(=O)[O-] ZINC001573302748 962660795 /nfs/dbraw/zinc/66/07/95/962660795.db2.gz FASCSPVIDQSMNX-CHWSQXEVSA-N -1 0 333.453 3.105 20 30 EGEDRM C#Cc1ccc(C(=O)Nc2nc(C(C)(C)C)c(C(=O)[O-])s2)cc1 ZINC001573311933 962716963 /nfs/dbraw/zinc/71/69/63/962716963.db2.gz KHZHCGPRBCETIP-UHFFFAOYSA-N -1 0 328.393 3.372 20 30 EGEDRM C=C(Br)CNc1ncc(C(=O)[O-])cc1C(F)(F)F ZINC001573321084 962755252 /nfs/dbraw/zinc/75/52/52/962755252.db2.gz IMXDZJXALSDIKZ-UHFFFAOYSA-N -1 0 325.084 3.119 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N1CCC[C@H]1c1nc2ccccc2s1 ZINC001573332641 962838810 /nfs/dbraw/zinc/83/88/10/962838810.db2.gz PZIWTJYBJRRGOE-ZDUSSCGKSA-N -1 0 330.409 3.381 20 30 EGEDRM C=C[C@H](C(=O)N1CCOc2ccccc2[C@H]1C(=O)[O-])c1ccccc1 ZINC001573345217 962928348 /nfs/dbraw/zinc/92/83/48/962928348.db2.gz LIBFOXOMRUGXMW-YJBOKZPZSA-N -1 0 337.375 3.003 20 30 EGEDRM C=CCN(C)c1nnc(C2CCC2)n1Cc1cccc(NC(=O)[O-])c1 ZINC001573360105 963032208 /nfs/dbraw/zinc/03/22/08/963032208.db2.gz HGBMHSTUZMZQPU-UHFFFAOYSA-N -1 0 341.415 3.306 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1cc(-c2ccc(F)cc2)on1)C(=O)[O-] ZINC001573367195 963064181 /nfs/dbraw/zinc/06/41/81/963064181.db2.gz SQKSDUQTDPMGDJ-CYBMUJFWSA-N -1 0 332.331 3.020 20 30 EGEDRM C#CCCCCCC(=O)N1CCCC[C@H]1c1ccc(C(=O)[O-])n1C ZINC001588440590 964041250 /nfs/dbraw/zinc/04/12/50/964041250.db2.gz BWCPRAGQABCSDT-INIZCTEOSA-N -1 0 330.428 3.361 20 30 EGEDRM C=C1CCC(CNC(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)CC1 ZINC001588445836 964067446 /nfs/dbraw/zinc/06/74/46/964067446.db2.gz ULJSGSUPCWQTKM-KRWDZBQOSA-N -1 0 328.412 3.126 20 30 EGEDRM C#CC[C@H](Cc1ccccc1)NC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001609623800 970423484 /nfs/dbraw/zinc/42/34/84/970423484.db2.gz DRHOVEXTMWEFBZ-QGZVFWFLSA-N -1 0 336.391 3.070 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCc2ccc(-c3ccccc3)cc21 ZINC001609693090 970453527 /nfs/dbraw/zinc/45/35/27/970453527.db2.gz ULPRMHJFKCQQLO-WIYYLYMNSA-N -1 0 348.402 3.462 20 30 EGEDRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC001605023216 972631526 /nfs/dbraw/zinc/63/15/26/972631526.db2.gz KVIPRANERFMQQA-BLVKFPJESA-N -1 0 336.347 3.400 20 30 EGEDRM N#Cc1c(F)cc(C(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)cc1F ZINC001605590823 973886340 /nfs/dbraw/zinc/88/63/40/973886340.db2.gz NTDSFYWYYCTYMM-LBPRGKRZSA-N -1 0 342.301 3.055 20 30 EGEDRM N#Cc1cc(Cl)c(C(=O)Nc2cc(C(=O)[O-])ccn2)c(Cl)c1 ZINC001605591845 973889333 /nfs/dbraw/zinc/88/93/33/973889333.db2.gz CIEUNYGTPYPTFU-UHFFFAOYSA-N -1 0 336.134 3.211 20 30 EGEDRM CN(C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl)[C@@H]1CCC[C@H]1C#N ZINC001604034809 974556419 /nfs/dbraw/zinc/55/64/19/974556419.db2.gz DHRYHEHHEDEEAG-GZMMTYOYSA-N -1 0 339.754 3.333 20 30 EGEDRM C[C@@](CC(=O)[O-])(NC(=O)Nc1cccc(C#N)c1)c1cccc(F)c1 ZINC001592298835 977649752 /nfs/dbraw/zinc/64/97/52/977649752.db2.gz WCUCBXZFZRYOCO-SFHVURJKSA-N -1 0 341.342 3.209 20 30 EGEDRM C=CCOc1ccc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1OC ZINC000746356313 978682741 /nfs/dbraw/zinc/68/27/41/978682741.db2.gz JLDSWRXYZFCVNG-UHFFFAOYSA-N -1 0 345.326 3.350 20 30 EGEDRM COc1ccc(C(C)N=Nc2ccc(C(=O)[O-])cc2OC)cc1F ZINC000756905820 978702171 /nfs/dbraw/zinc/70/21/71/978702171.db2.gz LOKJGYXYFXETRK-UHFFFAOYSA-N -1 0 332.331 3.377 20 30 EGEDRM O=C([O-])c1ccc(NN=Cc2csc(Br)c2)nc1 ZINC000763371542 978722704 /nfs/dbraw/zinc/72/27/04/978722704.db2.gz DFEDLYVVNKVIPS-UHFFFAOYSA-N -1 0 326.175 3.050 20 30 EGEDRM CC(C)(C)n1cc(/C=C2\CCCc3cc(C(=O)[O-])ccc3C2=O)nn1 ZINC000828234751 978976801 /nfs/dbraw/zinc/97/68/01/978976801.db2.gz ADHAFBVYCIMQNJ-JLHYYAGUSA-N -1 0 339.395 3.334 20 30 EGEDRM C=CCc1cc(C(=O)N[C@H](C[C@@H](C)CC)C(=O)[O-])cc(OC)c1OC ZINC000844158835 979350879 /nfs/dbraw/zinc/35/08/79/979350879.db2.gz UDYJLMNPUQRBTC-SWLSCSKDSA-N -1 0 349.427 3.052 20 30 EGEDRM Cc1c(NN=Cc2cnc([C@H]3CCCO3)s2)cccc1C(=O)[O-] ZINC000844622688 979397588 /nfs/dbraw/zinc/39/75/88/979397588.db2.gz BNQKVJHJFUTNAS-CQSZACIVSA-N -1 0 331.397 3.447 20 30 EGEDRM C=C(Cl)CN(CCC(=O)[O-])Cc1cccc(Br)c1 ZINC000846282818 979454602 /nfs/dbraw/zinc/45/46/02/979454602.db2.gz CIRHXOLGQIKUIX-UHFFFAOYSA-N -1 0 332.625 3.478 20 30 EGEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC001592833808 979572821 /nfs/dbraw/zinc/57/28/21/979572821.db2.gz KBZUHMKVTOSSRD-YOEHRIQHSA-N -1 0 348.402 3.342 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)/C=C(\C)c1ccccc1OC(F)F)C(=O)[O-] ZINC000864188901 979838798 /nfs/dbraw/zinc/83/87/98/979838798.db2.gz XIYRRWDNSAJXOW-YGNAEDSMSA-N -1 0 339.338 3.227 20 30 EGEDRM CC[C@@](NC(=O)C#Cc1cccs1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595228298 980084169 /nfs/dbraw/zinc/08/41/69/980084169.db2.gz FMBXYLJJFSJUSL-KRWDZBQOSA-N -1 0 347.823 3.259 20 30 EGEDRM C[C@H](NC(=O)/C=C\c1ccccc1C#N)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593011050 980245269 /nfs/dbraw/zinc/24/52/69/980245269.db2.gz LYROHJSVAOAZNK-UZQWLNLLSA-N -1 0 348.402 3.020 20 30 EGEDRM CCC[C@H](C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1)c1ccccn1 ZINC001595537969 981389443 /nfs/dbraw/zinc/38/94/43/981389443.db2.gz PAOXJWPJAKGQLV-RDJZCZTQSA-N -1 0 338.363 3.206 20 30 EGEDRM C=C[C@@](C)(CC)C(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000909138335 981426887 /nfs/dbraw/zinc/42/68/87/981426887.db2.gz XRMSMDDOOHSLGZ-IBGZPJMESA-N -1 0 326.396 3.353 20 30 EGEDRM C=C1CCC(C(=O)N[C@@H](CC(=O)[O-])c2ccc(OC)cc2OC)CC1 ZINC000909367432 981473589 /nfs/dbraw/zinc/47/35/89/981473589.db2.gz DTVYZOVELYKSDV-INIZCTEOSA-N -1 0 347.411 3.082 20 30 EGEDRM CC[C@](C)(C#N)C(=O)OCc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC001594778207 981773390 /nfs/dbraw/zinc/77/33/90/981773390.db2.gz KRSHFVRUBYRJNN-QGZVFWFLSA-N -1 0 344.392 3.491 20 30 EGEDRM CCCCCCCNC(=O)Nc1nc2c(s1)CC[C@H](C(=O)[O-])C2 ZINC001595704517 982276310 /nfs/dbraw/zinc/27/63/10/982276310.db2.gz RVDBYOYDZCSGCX-NSHDSACASA-N -1 0 339.461 3.425 20 30 EGEDRM CCCCCCCC(=O)Nc1c(C(=O)[O-])nnn1Cc1ccccc1 ZINC001595704576 982276948 /nfs/dbraw/zinc/27/69/48/982276948.db2.gz BCRAXWVRPKYLTQ-UHFFFAOYSA-N -1 0 344.415 3.324 20 30 EGEDRM CCCCCCCS(=O)(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC001595708735 982286468 /nfs/dbraw/zinc/28/64/68/982286468.db2.gz FJCBWUSJQBDMLJ-AWEZNQCLSA-N -1 0 339.457 3.365 20 30 EGEDRM C#C[C@H](C)Oc1ccc(COC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)cc1 ZINC001588369353 983313480 /nfs/dbraw/zinc/31/34/80/983313480.db2.gz JBBKXYSHLWAOLN-BPUTZDHNSA-N -1 0 330.380 3.021 20 30 EGEDRM C#C[C@H](C)Oc1ccc(COC(=O)c2cccc(CC(=O)[O-])c2)cc1 ZINC001588369888 983318151 /nfs/dbraw/zinc/31/81/51/983318151.db2.gz ZRWIELDTXMPTAS-AWEZNQCLSA-N -1 0 338.359 3.071 20 30 EGEDRM C#C[C@H](NC(=O)NCCCCCCC(=O)[O-])c1ccc(Cl)cc1 ZINC001588372555 983331661 /nfs/dbraw/zinc/33/16/61/983331661.db2.gz NHOAKLXIKFECKS-HNNXBMFYSA-N -1 0 336.819 3.349 20 30 EGEDRM C#C[C@H](NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1F ZINC001588373083 983336952 /nfs/dbraw/zinc/33/69/52/983336952.db2.gz ZREHKPKPEUSMQN-PGUXBMHVSA-N -1 0 337.778 3.161 20 30 EGEDRM C#C[C@@H](NC(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1)c1ccccc1 ZINC001588373521 983338640 /nfs/dbraw/zinc/33/86/40/983338640.db2.gz GQUFTPLWSXBWIR-MRXNPFEDSA-N -1 0 333.347 3.362 20 30 EGEDRM C#C[C@H]([NH2+][C@@H]1C[C@@H]2C[C@@H](C(=O)[O-])C[C@H]12)c1ccc(Br)cc1 ZINC001588375998 983348613 /nfs/dbraw/zinc/34/86/13/983348613.db2.gz AMTVXYVGGPPHSW-PTNZTPPNSA-N -1 0 348.240 3.212 20 30 EGEDRM C#C[C@@H](NC(=O)c1cc(F)cc(C(=O)[O-])c1)c1ccc(Cl)cc1F ZINC001588377273 983356508 /nfs/dbraw/zinc/35/65/08/983356508.db2.gz KJOADNPZOOBCAN-OAHLLOKOSA-N -1 0 349.720 3.421 20 30 EGEDRM C#C[C@H]1CCCN(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)C1 ZINC001588383231 983379301 /nfs/dbraw/zinc/37/93/01/983379301.db2.gz PVTYDLPTXRJTCA-AWEZNQCLSA-N -1 0 346.452 3.272 20 30 EGEDRM C#CC[C@@H](NC(=O)C1(c2ccc(Cl)cc2)CCCCC1)C(=O)[O-] ZINC001588398761 983413739 /nfs/dbraw/zinc/41/37/39/983413739.db2.gz MEUFAGAEHIIPPO-OAHLLOKOSA-N -1 0 333.815 3.135 20 30 EGEDRM C#CC[C@H](NC(=O)NCC1(CC(=O)[O-])CCCC1)c1ccccc1 ZINC001588407772 983429454 /nfs/dbraw/zinc/42/94/54/983429454.db2.gz OUEROGVOWQIQOJ-INIZCTEOSA-N -1 0 328.412 3.085 20 30 EGEDRM C#CC[C@H]1CCCN(C(=O)Nc2ccc(SC)c(C(=O)[O-])c2)C1 ZINC001588434120 983468983 /nfs/dbraw/zinc/46/89/83/983468983.db2.gz GPIJCLLFWJYBCN-LBPRGKRZSA-N -1 0 332.425 3.374 20 30 EGEDRM C#CCN(Cc1ccccc1)[C@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC001588470014 983504440 /nfs/dbraw/zinc/50/44/40/983504440.db2.gz YYIIVYNUICIBJH-OAHLLOKOSA-N -1 0 338.407 3.036 20 30 EGEDRM CCN(C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)[C@H](C)c1ccc(C#N)cc1 ZINC001596157204 983517941 /nfs/dbraw/zinc/51/79/41/983517941.db2.gz ZDZQJIHWWRRSST-KBRIMQKVSA-N -1 0 328.412 3.359 20 30 EGEDRM C#CCOc1cccc(NC(=O)NCCCCC2(C(=O)[O-])CCC2)c1 ZINC001588504058 983546203 /nfs/dbraw/zinc/54/62/03/983546203.db2.gz FUMZBDYTOSRVRW-UHFFFAOYSA-N -1 0 344.411 3.245 20 30 EGEDRM C#C[C@H]1CC[C@H](NC(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)CC1 ZINC001588510810 983557226 /nfs/dbraw/zinc/55/72/26/983557226.db2.gz MSRPELFJULZUHN-ZFZWDLNGSA-N -1 0 326.396 3.188 20 30 EGEDRM C#Cc1ccc([C@H](OC(=O)C[C@@H](C)CC(=O)[O-])C(F)(F)F)cc1 ZINC001588516586 983561618 /nfs/dbraw/zinc/56/16/18/983561618.db2.gz QNYJYGFPUMQDSZ-BONVTDFDSA-N -1 0 328.286 3.315 20 30 EGEDRM C=C(C)[C@H]1OCC[C@H]1CNc1ncc(C(=O)[O-])cc1C(F)(F)F ZINC001588534608 983586286 /nfs/dbraw/zinc/58/62/86/983586286.db2.gz BCYWGTXKNPRWRT-JOYOIKCWSA-N -1 0 330.306 3.192 20 30 EGEDRM C=C(C)[C@@H](CC(=O)Oc1ccc(/C=C\C(=O)[O-])cc1OC)OCC ZINC001588535618 983589773 /nfs/dbraw/zinc/58/97/73/983589773.db2.gz PDPFEJKVOOHVJG-SOIVGHGOSA-N -1 0 334.368 3.070 20 30 EGEDRM C=C(C)C[C@H](NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C)C(=O)[O-] ZINC001588544069 983613052 /nfs/dbraw/zinc/61/30/52/983613052.db2.gz UBCAZDQMJJBECA-KRWDZBQOSA-N -1 0 344.386 3.382 20 30 EGEDRM C=C(C)C[C@H](NC(=O)c1csc(N(C)c2ccccc2)n1)C(=O)[O-] ZINC001588548222 983623494 /nfs/dbraw/zinc/62/34/94/983623494.db2.gz OGCKRXXJWPFXRU-ZDUSSCGKSA-N -1 0 345.424 3.060 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)c1ccnc(Oc2ccccc2)c1)C(=O)[O-] ZINC001588548659 983624902 /nfs/dbraw/zinc/62/49/02/983624902.db2.gz SEMULVWKUWHUDT-OAHLLOKOSA-N -1 0 326.352 3.023 20 30 EGEDRM C=C(C)Cc1cccc(C(=O)[O-])c1OCCCS(=O)(=O)C(C)C ZINC001588577138 983655461 /nfs/dbraw/zinc/65/54/61/983655461.db2.gz MTABROPMDFJAKA-UHFFFAOYSA-N -1 0 340.441 3.096 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)NCc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC001588629955 983740394 /nfs/dbraw/zinc/74/03/94/983740394.db2.gz NZOXPVBYMJIYIU-UHFFFAOYSA-N -1 0 348.399 3.071 20 30 EGEDRM C=C[C@@H](C(=O)[O-])N1CC[C@@H](CNC(=O)OC(C)(C)C)c2ccccc21 ZINC001588662678 983790755 /nfs/dbraw/zinc/79/07/55/983790755.db2.gz FHZXUMMTAZHPIA-ZFWWWQNUSA-N -1 0 346.427 3.144 20 30 EGEDRM C=CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001588744719 984045147 /nfs/dbraw/zinc/04/51/47/984045147.db2.gz PVLUUAYMOPBLCD-ZACQAIPSSA-N -1 0 330.428 3.116 20 30 EGEDRM C=CCCC(=O)Nc1cc(OC)c(Br)cc1C(=O)[O-] ZINC001588777003 984155031 /nfs/dbraw/zinc/15/50/31/984155031.db2.gz QLLRKRKDZLXUNT-UHFFFAOYSA-N -1 0 328.162 3.061 20 30 EGEDRM C=CCCC[C@@H](C)NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC001588787052 984185349 /nfs/dbraw/zinc/18/53/49/984185349.db2.gz TVEZAVNMLDZRPW-SNVBAGLBSA-N -1 0 331.821 3.061 20 30 EGEDRM C=CCCC[C@@H](NC(=O)CCSc1ccc(F)cc1)C(=O)[O-] ZINC001588789094 984196966 /nfs/dbraw/zinc/19/69/66/984196966.db2.gz XWGULWBNWIYKHM-CQSZACIVSA-N -1 0 325.405 3.234 20 30 EGEDRM C=CCCC[C@H](NC(=O)C[C@H](c1cccs1)n1cccc1)C(=O)[O-] ZINC001588789284 984197830 /nfs/dbraw/zinc/19/78/30/984197830.db2.gz ALJORAJLAHGQPZ-LSDHHAIUSA-N -1 0 346.452 3.455 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1ccc(OC)c2ccccc12)C(=O)[O-] ZINC001588792539 984209875 /nfs/dbraw/zinc/20/98/75/984209875.db2.gz AFQZKSBUJOBFSM-INIZCTEOSA-N -1 0 327.380 3.388 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1cccc(-c2cscn2)c1)C(=O)[O-] ZINC001588793134 984216508 /nfs/dbraw/zinc/21/65/08/984216508.db2.gz LFULGHKNSYTVSX-CQSZACIVSA-N -1 0 330.409 3.349 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)[O-] ZINC001588793639 984220740 /nfs/dbraw/zinc/22/07/40/984220740.db2.gz VOQPKZYMPSVQIX-GFCCVEGCSA-N -1 0 331.290 3.125 20 30 EGEDRM C=CCN(CC=C)C(=O)CNc1ccc(Cl)c(C(=O)[O-])c1Cl ZINC001588825353 984299869 /nfs/dbraw/zinc/29/98/69/984299869.db2.gz MCFZJTYHIRWBRM-UHFFFAOYSA-N -1 0 343.210 3.304 20 30 EGEDRM C=CCN(Cc1ccccc1F)C(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001588831580 984314771 /nfs/dbraw/zinc/31/47/71/984314771.db2.gz BRKCYJAQLXLAFY-UHFFFAOYSA-N -1 0 331.318 3.491 20 30 EGEDRM C=CCn1c(C2CCC2)nnc1N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC001588898083 984515927 /nfs/dbraw/zinc/51/59/27/984515927.db2.gz YZLRJKGUNHJQIQ-CQSZACIVSA-N -1 0 332.448 3.059 20 30 EGEDRM C[C@H]1CN(C(=O)N[C@@H](CCCC#N)c2ccccc2)C[C@]1(C)C(=O)[O-] ZINC001599917895 985085291 /nfs/dbraw/zinc/08/52/91/985085291.db2.gz YINLANKBPCFHRS-QOKNQOGYSA-N -1 0 343.427 3.174 20 30 EGEDRM C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCC[C@H]1C(=O)[O-] ZINC001589331671 986190065 /nfs/dbraw/zinc/19/00/65/986190065.db2.gz LPXLWMWSFVPGDB-UPJWGTAASA-N -1 0 347.440 3.313 20 30 EGEDRM C[C@@H](C#N)OCCNc1cc(C(=O)[O-])ccc1OCc1ccccc1 ZINC001589331738 986191204 /nfs/dbraw/zinc/19/12/04/986191204.db2.gz NLJKZLVIYBYXCC-AWEZNQCLSA-N -1 0 340.379 3.304 20 30 EGEDRM C[C@H](C(=O)N1CCC(C#N)(C(=O)[O-])CC1)c1ccc2ccccc2c1 ZINC001589345519 986278702 /nfs/dbraw/zinc/27/87/02/986278702.db2.gz AETUVRDVUYSFRC-AWEZNQCLSA-N -1 0 336.391 3.160 20 30 EGEDRM CC/C(=C/C(=O)N1CCC(C#N)(C(=O)[O-])CC1)c1ccc(C)cc1 ZINC001594691801 987093785 /nfs/dbraw/zinc/09/37/85/987093785.db2.gz NOWRALUNBGREEI-QINSGFPZSA-N -1 0 326.396 3.005 20 30 EGEDRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2ncc(C#N)cc2Cl)cc1 ZINC001589520999 987163879 /nfs/dbraw/zinc/16/38/79/987163879.db2.gz FNXIHSDZPNFARM-SECBINFHSA-N -1 0 329.743 3.047 20 30 EGEDRM CC(C)(C(=O)[O-])N(Cc1ccccc1)C(=O)c1cc(C#N)cs1 ZINC001589616542 987481774 /nfs/dbraw/zinc/48/17/74/987481774.db2.gz GWCXCQPLYBVMEA-UHFFFAOYSA-N -1 0 328.393 3.125 20 30 EGEDRM CCc1ccc(C#CC(=O)N(CC(C)C)CC(C)(C)C(=O)[O-])cc1 ZINC001597494960 988040465 /nfs/dbraw/zinc/04/04/65/988040465.db2.gz MRVLSZCTQHTYDE-UHFFFAOYSA-N -1 0 329.440 3.196 20 30 EGEDRM CSCc1ccc(/C=C2\CCn3nc(C(=O)[O-])cc3C2=O)cc1 ZINC001599802406 988198928 /nfs/dbraw/zinc/19/89/28/988198928.db2.gz JEYARLDTNMOGBD-MDWZMJQESA-N -1 0 328.393 3.114 20 30 EGEDRM CCc1nnc(NC[C@H](CC2CCCC2)C(=O)[O-])c(C#N)c1CC ZINC001597734820 989071771 /nfs/dbraw/zinc/07/17/71/989071771.db2.gz HXNLVIFIJDWODB-ZDUSSCGKSA-N -1 0 330.432 3.166 20 30 EGEDRM C[C@@H]1Cc2ccccc2N(C(=O)c2ccc(CC#N)cc2)[C@@H]1C(=O)[O-] ZINC001599880177 989473606 /nfs/dbraw/zinc/47/36/06/989473606.db2.gz AOYLFSYDPBOSOR-ACJLOTCBSA-N -1 0 334.375 3.045 20 30 EGEDRM CC(C)(C)O[C@@H]1C[C@@H](Nc2ccc(C(=O)[O-])nc2C#N)C12CCC2 ZINC001590379712 989893175 /nfs/dbraw/zinc/89/31/75/989893175.db2.gz ZEMHIVPIIOHAKM-HUUCEWRRSA-N -1 0 329.400 3.190 20 30 EGEDRM CC(C)(C)c1ccc([C@H](O)CNc2ccc(C(=O)[O-])nc2C#N)cc1 ZINC001590479513 990052642 /nfs/dbraw/zinc/05/26/42/990052642.db2.gz DAFYXKVQKPKKIP-QGZVFWFLSA-N -1 0 339.395 3.094 20 30 EGEDRM CN(C(=O)/C=C\c1cc(C(=O)[O-])co1)c1ccc(C#N)c(Cl)c1 ZINC001598006625 990160921 /nfs/dbraw/zinc/16/09/21/990160921.db2.gz PRBXRVLMLCJKST-PLNGDYQASA-N -1 0 330.727 3.179 20 30 EGEDRM CN(C(=O)Nc1cc(C(=O)[O-])cc2cccnc21)[C@H]1CCC[C@@H]1C#N ZINC001598056044 990313240 /nfs/dbraw/zinc/31/32/40/990313240.db2.gz AXBFYRUNURMLKK-DOMZBBRYSA-N -1 0 338.367 3.089 20 30 EGEDRM CC(C)(Oc1ccc(C#N)cc1)C(=O)OCc1ccccc1C(=O)[O-] ZINC001590904316 990865304 /nfs/dbraw/zinc/86/53/04/990865304.db2.gz BFUHBBYZZUIBMP-UHFFFAOYSA-N -1 0 339.347 3.157 20 30 EGEDRM COc1ccccc1-n1nccc1/C=C/C(=O)c1cc(C(=O)[O-])co1 ZINC001599695859 991148024 /nfs/dbraw/zinc/14/80/24/991148024.db2.gz KNMOYPJRRPIMFA-VOTSOKGWSA-N -1 0 338.319 3.068 20 30 EGEDRM CN(Cc1nc2ccccc2s1)Cc1cccc(C(=O)[O-])c1C#N ZINC001598537774 992860481 /nfs/dbraw/zinc/86/04/81/992860481.db2.gz NGKWQBGLGZZLSL-UHFFFAOYSA-N -1 0 337.404 3.498 20 30 EGEDRM C[C@]1(C#N)CCCN(C(=O)Nc2ccc3c(C(=O)[O-])c[nH]c3c2)C1 ZINC001593740897 996358683 /nfs/dbraw/zinc/35/86/83/996358683.db2.gz XDKNZPMVFLBQJW-QGZVFWFLSA-N -1 0 326.356 3.024 20 30 EGEDRM COCc1cc(NCc2cc(C#N)ccc2OC)cc(C(=O)[O-])c1 ZINC001599289942 997047298 /nfs/dbraw/zinc/04/72/98/997047298.db2.gz SDXWAFFVBZRKHN-UHFFFAOYSA-N -1 0 326.352 3.024 20 30 EGEDRM COc1ccc(C(=O)[O-])c2c1CN([C@H](C)c1ccc(C#N)cc1)CC2 ZINC001599497860 997052086 /nfs/dbraw/zinc/05/20/86/997052086.db2.gz JTZNFVLHKITIMT-CYBMUJFWSA-N -1 0 336.391 3.384 20 30 EGEDRM COc1cc(OCCCOc2ccc(C#N)cc2)ccc1C(=O)[O-] ZINC001599456597 998197985 /nfs/dbraw/zinc/19/79/85/998197985.db2.gz FWKOTHUNABNSDJ-UHFFFAOYSA-N -1 0 327.336 3.113 20 30 EGEDRM C[C@H]1[C@@H](C(=O)[O-])CCN1c1c(C#N)cnc2ccc(OC(F)F)cc21 ZINC001594170986 998656499 /nfs/dbraw/zinc/65/64/99/998656499.db2.gz NZAYOCAASWBSPD-CABZTGNLSA-N -1 0 347.321 3.007 20 30 EGEDRM COC(=O)c1cccc([C@H](Sc2cccc(F)c2C#N)C(=O)[O-])c1 ZINC001598993691 998759774 /nfs/dbraw/zinc/75/97/74/998759774.db2.gz WZWDXJYGILTGLO-HNNXBMFYSA-N -1 0 345.351 3.402 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2cccc(Cl)c2Cl)C(=O)O1 ZINC000003543693 210050066 /nfs/dbraw/zinc/05/00/66/210050066.db2.gz HBMSTBYEEFSHPA-URWSZGRFSA-N -1 0 325.147 3.222 20 30 EGEDRM C=CCCO[C@H](C)C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000262560824 245035221 /nfs/dbraw/zinc/03/52/21/245035221.db2.gz ZRWINULBUHIUOU-CYBMUJFWSA-N -1 0 343.379 3.223 20 30 EGEDRM N#Cc1ccc(/C=C(\C(=O)C(=O)[O-])c2ccc3ccccc3n2)cc1 ZINC000004882962 210311986 /nfs/dbraw/zinc/31/19/86/210311986.db2.gz YOLMTLQXWPYPOO-WJDWOHSUSA-N -1 0 328.327 3.301 20 30 EGEDRM Cc1noc(C2CC2)c1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000187047844 144150360 /nfs/dbraw/zinc/15/03/60/144150360.db2.gz HZEVBWLRYACSKR-UHFFFAOYSA-N -1 0 337.788 3.186 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2cc(C#N)c3ccccc3n2)s1 ZINC000351219920 144260468 /nfs/dbraw/zinc/26/04/68/144260468.db2.gz IDYKNNFBCRPZSF-UHFFFAOYSA-N -1 0 329.406 3.277 20 30 EGEDRM N#Cc1cncc(S(=O)(=O)[N-]c2ccc3c(c2)Cc2ccccc2-3)c1 ZINC000336895740 154232401 /nfs/dbraw/zinc/23/24/01/154232401.db2.gz YZAHKTLGBBHFAT-UHFFFAOYSA-N -1 0 347.399 3.325 20 30 EGEDRM Cc1ccncc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000337147950 163143977 /nfs/dbraw/zinc/14/39/77/163143977.db2.gz ZQYWEHSPWFCDRX-UHFFFAOYSA-N -1 0 341.314 3.081 20 30 EGEDRM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(C#N)o2)c(Cl)c1 ZINC000340985829 163708461 /nfs/dbraw/zinc/70/84/61/163708461.db2.gz UJJURFOVXNIFIE-UHFFFAOYSA-N -1 0 340.788 3.393 20 30 EGEDRM Cc1nc(-c2ccccc2[N-]S(=O)(=O)c2ccc(C#N)o2)cs1 ZINC000340986310 163708830 /nfs/dbraw/zinc/70/88/30/163708830.db2.gz DIARIGJMAQWDIP-UHFFFAOYSA-N -1 0 345.405 3.384 20 30 EGEDRM CC1(C)Cc2cc(S(=O)(=O)[N-]c3ccccc3C#N)ccc2O1 ZINC000343831138 164045547 /nfs/dbraw/zinc/04/55/47/164045547.db2.gz BUTFSVJJNGPREY-UHFFFAOYSA-N -1 0 328.393 3.073 20 30 EGEDRM CC1(C)Cc2cc([N-]S(=O)(=O)c3ccccc3C#N)ccc2O1 ZINC000345700266 164247233 /nfs/dbraw/zinc/24/72/33/164247233.db2.gz WVAYRBKMRFBWAA-UHFFFAOYSA-N -1 0 328.393 3.073 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2scnc2C2CC2)c(Cl)c1 ZINC000355813139 166317180 /nfs/dbraw/zinc/31/71/80/166317180.db2.gz JPKVEAATOVWMNA-UHFFFAOYSA-N -1 0 339.829 3.346 20 30 EGEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1cc2cc(F)ccc2s1 ZINC000359722119 167213725 /nfs/dbraw/zinc/21/37/25/167213725.db2.gz FPQYAHXLSQNMAC-UHFFFAOYSA-N -1 0 326.356 3.187 20 30 EGEDRM Cn1cc(C#N)c([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)n1 ZINC000123399540 222271051 /nfs/dbraw/zinc/27/10/51/222271051.db2.gz IZHUAKZACFYFQO-UHFFFAOYSA-N -1 0 344.440 3.140 20 30 EGEDRM C[C@H](Cc1cccc(F)c1)C(=O)[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000069282479 262533009 /nfs/dbraw/zinc/53/30/09/262533009.db2.gz DLZSYYMSPADRKC-LLVKDONJSA-N -1 0 339.363 3.489 20 30 EGEDRM N#Cc1ccccc1S(=O)(=O)Nc1cc(Cl)cc(F)c1F ZINC000442235106 270052113 /nfs/dbraw/zinc/05/21/13/270052113.db2.gz QMHHRQNMRGJQHI-UHFFFAOYSA-N -1 0 328.727 3.291 20 30 EGEDRM Cc1ccc(F)cc1-c1n[n-]c(=NC(=O)c2ccc(C#N)cc2)s1 ZINC000469893511 270055149 /nfs/dbraw/zinc/05/51/49/270055149.db2.gz ONNOLGXSZUEOFA-UHFFFAOYSA-N -1 0 338.367 3.199 20 30 EGEDRM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1cccc2c1OC(C)(C)C2 ZINC000195504979 267289641 /nfs/dbraw/zinc/28/96/41/267289641.db2.gz PXZYHGNGVULGLP-UHFFFAOYSA-N -1 0 342.420 3.381 20 30 EGEDRM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ncccc2C#N)c(C)c1C ZINC000191105594 267291451 /nfs/dbraw/zinc/29/14/51/267291451.db2.gz LBWOKHKATBPTBC-UHFFFAOYSA-N -1 0 329.425 3.296 20 30 EGEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1nc2c(s1)C[C@@H](C)CC2 ZINC000332205232 267399485 /nfs/dbraw/zinc/39/94/85/267399485.db2.gz IPOKTCPEJJVDAC-JTQLQIEISA-N -1 0 347.465 3.249 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2nc3ccsc3s2)ccc1C#N ZINC000446827422 268019552 /nfs/dbraw/zinc/01/95/52/268019552.db2.gz ODMUMGCCADACFU-UHFFFAOYSA-N -1 0 335.435 3.339 20 30 EGEDRM Cc1ccc2c(ncc(C#N)c2N[C@@H](C)CC(=O)[O-])c1Br ZINC000416424055 268047225 /nfs/dbraw/zinc/04/72/25/268047225.db2.gz AAQVFVSZZMRZJK-VIFPVBQESA-N -1 0 348.200 3.453 20 30 EGEDRM Cc1cccc(S(=O)(=O)[N-]c2cc(Cl)cc(C)c2O)c1C#N ZINC000440836004 268056774 /nfs/dbraw/zinc/05/67/74/268056774.db2.gz FMVQGSXDOXGPHJ-UHFFFAOYSA-N -1 0 336.800 3.335 20 30 EGEDRM N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2cccc(Cl)c2[O-])cc1 ZINC000350671899 268087261 /nfs/dbraw/zinc/08/72/61/268087261.db2.gz ZIEBFCNKILYOBQ-ZDUSSCGKSA-N -1 0 325.755 3.238 20 30 EGEDRM N#Cc1c(F)ccc(CN=c2[n-]nc(C(F)(F)F)s2)c1Cl ZINC000432425623 268161197 /nfs/dbraw/zinc/16/11/97/268161197.db2.gz VZFHGTOUDYNCOL-UHFFFAOYSA-N -1 0 336.701 3.255 20 30 EGEDRM CCOC(=O)c1cccc(N(CC)C(=O)c2ccc(C#N)c([O-])c2)c1 ZINC000525957512 269667387 /nfs/dbraw/zinc/66/73/87/269667387.db2.gz INYBWFPCPVCKSR-UHFFFAOYSA-N -1 0 338.363 3.107 20 30 EGEDRM Cc1ccc(-n2cc(NC(=O)c3ccc(C#N)c([O-])c3)cn2)c(C)c1 ZINC000191407808 275222002 /nfs/dbraw/zinc/22/20/02/275222002.db2.gz QNXFZGHBCREJPS-UHFFFAOYSA-N -1 0 332.363 3.319 20 30 EGEDRM CCCc1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000120839304 307511927 /nfs/dbraw/zinc/51/19/27/307511927.db2.gz PQVGRZDVSHLPBB-UHFFFAOYSA-N -1 0 345.380 3.220 20 30 EGEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)c(F)c1 ZINC000128018678 307593717 /nfs/dbraw/zinc/59/37/17/307593717.db2.gz CYYNHVCRRMARNM-UHFFFAOYSA-N -1 0 348.252 3.055 20 30 EGEDRM Cc1cc(F)ccc1[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000128201552 307596190 /nfs/dbraw/zinc/59/61/90/307596190.db2.gz YRFVFBINOCKUMV-UHFFFAOYSA-N -1 0 326.299 3.085 20 30 EGEDRM Cc1cc(N(C)C)cc(C)c1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000156176491 307828196 /nfs/dbraw/zinc/82/81/96/307828196.db2.gz WGOVOBHEPORDKQ-UHFFFAOYSA-N -1 0 347.415 3.181 20 30 EGEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000551470747 315155341 /nfs/dbraw/zinc/15/53/41/315155341.db2.gz GFLINKPGYHIIRN-UHFFFAOYSA-N -1 0 340.763 3.160 20 30 EGEDRM N#Cc1ccc(CSc2n[n-]c(=NCC(F)(F)F)s2)s1 ZINC000563412901 316017774 /nfs/dbraw/zinc/01/77/74/316017774.db2.gz VRBGQGBYHHTQNN-UHFFFAOYSA-N -1 0 336.389 3.160 20 30 EGEDRM CCCn1ncc([N-]S(=O)(=O)c2cc(C#N)ccc2C)c1C1CC1 ZINC000565698202 316357421 /nfs/dbraw/zinc/35/74/21/316357421.db2.gz UFWXUQGQHAMQII-UHFFFAOYSA-N -1 0 344.440 3.151 20 30 EGEDRM CCc1cc(C#N)c([N-]S(=O)(=O)c2ccc(OC)cc2C)s1 ZINC000568940994 316842167 /nfs/dbraw/zinc/84/21/67/316842167.db2.gz VJYGMDICDIAMLF-UHFFFAOYSA-N -1 0 336.438 3.300 20 30 EGEDRM C[C@H]1C[C@H](C(=O)[O-])CN(c2c(C#N)cnc3c(Cl)cccc32)C1 ZINC000571799477 317249281 /nfs/dbraw/zinc/24/92/81/317249281.db2.gz GUXQGTVCCVWWKV-QWRGUYRKSA-N -1 0 329.787 3.307 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2CCC(F)(F)F)o1 ZINC000572914595 317408849 /nfs/dbraw/zinc/40/88/49/317408849.db2.gz XCRLWCFEAKRCGT-UHFFFAOYSA-N -1 0 344.314 3.447 20 30 EGEDRM Cc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2C#N)c1C#N ZINC000181145888 323470943 /nfs/dbraw/zinc/47/09/43/323470943.db2.gz IADQCJGTNGGYAC-UHFFFAOYSA-N -1 0 331.784 3.193 20 30 EGEDRM Cc1cccc(N=c2[n-]nc(Sc3cc(C#N)ncn3)s2)c1C ZINC000576456117 324617374 /nfs/dbraw/zinc/61/73/74/324617374.db2.gz MKXVOILBJHQEBH-UHFFFAOYSA-N -1 0 340.437 3.133 20 30 EGEDRM COc1c(C)ccc(NC(=O)c2cc(C#N)c(SC)[n-]c2=O)c1C ZINC000580793115 325296072 /nfs/dbraw/zinc/29/60/72/325296072.db2.gz NZSLFZXDHIGGSI-UHFFFAOYSA-N -1 0 343.408 3.259 20 30 EGEDRM Cc1nc(NC(=O)c2nc3cccnc3s2)sc1SCC#N ZINC000241911205 455270607 /nfs/dbraw/zinc/27/06/07/455270607.db2.gz UAOFAMPAQNGOBF-UHFFFAOYSA-N -1 0 347.450 3.324 20 30 EGEDRM C=C[C@@H]1OCC[C@H]1NC(=O)[C@](C)(CC(=O)[O-])c1ccc(C(C)C)cc1 ZINC000634840805 460552271 /nfs/dbraw/zinc/55/22/71/460552271.db2.gz VSCQBGVWXJDFKC-FUHIMQAGSA-N -1 0 345.439 3.002 20 30 EGEDRM CCOC(=O)c1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)nc1C ZINC000066516894 453849272 /nfs/dbraw/zinc/84/92/72/453849272.db2.gz XBXCRKUSCFUQHA-CYBMUJFWSA-N -1 0 349.346 3.198 20 30 EGEDRM Cc1c(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)cnn1C ZINC000066545553 453850978 /nfs/dbraw/zinc/85/09/78/453850978.db2.gz PCNGAOZLMHIMOE-CQSZACIVSA-N -1 0 347.403 3.214 20 30 EGEDRM N#Cc1nc(NC(=O)CC2(CSc3ccccc3)CC2)[n-]c1C#N ZINC000184462957 455384510 /nfs/dbraw/zinc/38/45/10/455384510.db2.gz FHZDWSPPYDPFQY-UHFFFAOYSA-N -1 0 337.408 3.054 20 30 EGEDRM Cc1ccc(/C=C/C(=O)c2ccc([O-])c(CN3CCOCC3)c2)s1 ZINC000040413268 453950010 /nfs/dbraw/zinc/95/00/10/453950010.db2.gz RJDYDFUGNCIKOQ-FNORWQNLSA-N -1 0 343.448 3.490 20 30 EGEDRM N#Cc1cc([N-]S(=O)(=O)c2cccc(Cl)c2F)ccc1F ZINC000076839214 454042026 /nfs/dbraw/zinc/04/20/26/454042026.db2.gz GGKBCPLRWHEXOB-UHFFFAOYSA-N -1 0 328.727 3.291 20 30 EGEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C)ccc1F ZINC000057125776 454103996 /nfs/dbraw/zinc/10/39/96/454103996.db2.gz LPFZWDKKQPRGRE-UHFFFAOYSA-N -1 0 334.372 3.205 20 30 EGEDRM C[C@@H](CC(=O)Nc1nc(C#N)c(C#N)[n-]1)c1ccc(C(F)(F)F)cc1 ZINC000057431349 454127942 /nfs/dbraw/zinc/12/79/42/454127942.db2.gz YCSMJBUOWLVHPR-VIFPVBQESA-N -1 0 347.300 3.304 20 30 EGEDRM C[C@H]1CCC[C@](C#N)(NS(=O)(=O)c2cc(F)ccc2Cl)C1 ZINC000182013884 455416254 /nfs/dbraw/zinc/41/62/54/455416254.db2.gz UJFKRGUZJWJMBM-HZMBPMFUSA-N -1 0 330.812 3.230 20 30 EGEDRM Cc1ccc(-c2cc(C([O-])=C(C#N)c3cnc4ccccc4n3)n[nH]2)o1 ZINC000190996870 455422861 /nfs/dbraw/zinc/42/28/61/455422861.db2.gz JFJYEUVEKGQENM-GFCCVEGCSA-N -1 0 343.346 3.411 20 30 EGEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000064479118 454485704 /nfs/dbraw/zinc/48/57/04/454485704.db2.gz BUJAPKBTDPIWOY-UHFFFAOYSA-N -1 0 328.802 3.083 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc3ncccc23)c(F)c1 ZINC000101856399 454486403 /nfs/dbraw/zinc/48/64/03/454486403.db2.gz OAYKUIIQYDTJNU-UHFFFAOYSA-N -1 0 327.340 3.046 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2ccccc2N(C)C(=O)C2CC2)n1 ZINC000048788253 454515849 /nfs/dbraw/zinc/51/58/49/454515849.db2.gz IJFAGXPKMNCXMH-AWEZNQCLSA-N -1 0 339.420 3.314 20 30 EGEDRM CC[C@@H](CNC(=O)c1cc(C#N)c(SC)[n-]c1=O)c1ccccc1 ZINC000074344858 454568193 /nfs/dbraw/zinc/56/81/93/454568193.db2.gz PLRCEKHWKGBZRO-LBPRGKRZSA-N -1 0 341.436 3.304 20 30 EGEDRM CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)C=Cc1ccnc(Cl)c1 ZINC000092700815 454612635 /nfs/dbraw/zinc/61/26/35/454612635.db2.gz ZWPNTRYMCNBNPS-MVIFTORASA-N -1 0 330.837 3.471 20 30 EGEDRM Cc1ocnc1C([O-])=C(C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000105763038 454655713 /nfs/dbraw/zinc/65/57/13/454655713.db2.gz WIXHCTMWZBRCFP-CYBMUJFWSA-N -1 0 334.360 3.468 20 30 EGEDRM Cc1cc([N-]S(=O)(=O)c2ccc3ccccc3c2)n(CCC#N)n1 ZINC000066247932 454671634 /nfs/dbraw/zinc/67/16/34/454671634.db2.gz JFJUZXJYCPLQDM-UHFFFAOYSA-N -1 0 340.408 3.059 20 30 EGEDRM N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccsc2)c1 ZINC000153988519 454854614 /nfs/dbraw/zinc/85/46/14/454854614.db2.gz SQZNPHVJJOGARA-UHFFFAOYSA-N -1 0 343.227 3.183 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2cnn(-c3ccccc3F)c2)n1 ZINC000126210201 454877819 /nfs/dbraw/zinc/87/78/19/454877819.db2.gz BEZIADLXTXAGNH-GFCCVEGCSA-N -1 0 326.356 3.266 20 30 EGEDRM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1nn(C(C)C)cc1C#N ZINC000160660006 455485252 /nfs/dbraw/zinc/48/52/52/455485252.db2.gz APIMYWMMFKSGCB-UHFFFAOYSA-N -1 0 338.820 3.098 20 30 EGEDRM Cc1c2nc([N-]S(=O)(=O)c3cccc(C#N)c3)sc2ccc1F ZINC000150977088 454920904 /nfs/dbraw/zinc/92/09/04/454920904.db2.gz BFHRLSBBRDQQAE-UHFFFAOYSA-N -1 0 347.396 3.416 20 30 EGEDRM C[C@H]1CCC[C@H](C)N1C(=O)Cn1[n-]c(C(C)(C)C)c(CCC#N)c1=O ZINC000151841161 455038409 /nfs/dbraw/zinc/03/84/09/455038409.db2.gz LWRQMWYNVZLOTI-KBPBESRZSA-N -1 0 346.475 3.132 20 30 EGEDRM N#CCSCC(=O)Nc1cc(Cl)cc(Br)c1[O-] ZINC000179819015 455083965 /nfs/dbraw/zinc/08/39/65/455083965.db2.gz XXCUNBSKILATOC-UHFFFAOYSA-N -1 0 335.610 3.003 20 30 EGEDRM Cc1cccc(S(=O)(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)c1C#N ZINC000156325929 455105107 /nfs/dbraw/zinc/10/51/07/455105107.db2.gz HOQMFRGVVTXLBT-RYUDHWBXSA-N -1 0 346.374 3.266 20 30 EGEDRM CS[C@H](C)C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000237419783 455184366 /nfs/dbraw/zinc/18/43/66/455184366.db2.gz QELUUPNBMVSUTC-CYBMUJFWSA-N -1 0 339.416 3.475 20 30 EGEDRM Cc1cc(Br)c([O-])c(NC(=O)c2ccc(C#N)c(C)n2)c1 ZINC000182926730 455193537 /nfs/dbraw/zinc/19/35/37/455193537.db2.gz HVJMFYUKASILRQ-UHFFFAOYSA-N -1 0 346.184 3.291 20 30 EGEDRM C=CCOc1ccc(C(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1 ZINC000237675642 455206776 /nfs/dbraw/zinc/20/67/76/455206776.db2.gz KWCSEEIFMVLBMD-RDTXWAMCSA-N -1 0 339.391 3.443 20 30 EGEDRM C=CCN(Cc1ccccc1F)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184685336 455428079 /nfs/dbraw/zinc/42/80/79/455428079.db2.gz MUXOSIQWTDOWBY-UHFFFAOYSA-N -1 0 330.315 3.268 20 30 EGEDRM C=CCOCCCC(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000191489187 455489675 /nfs/dbraw/zinc/48/96/75/455489675.db2.gz ODMQCJYEFVVHGZ-GOSISDBHSA-N -1 0 327.380 3.065 20 30 EGEDRM N#C[C@@H]([N-]C(=O)C(F)(F)C(F)F)c1cccc(Br)c1 ZINC000267240976 455522377 /nfs/dbraw/zinc/52/23/77/455522377.db2.gz IWZMMCFCXCHTAM-MRVPVSSYSA-N -1 0 339.086 3.030 20 30 EGEDRM Cc1[nH]nc([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)c1C#N ZINC000185647553 455589103 /nfs/dbraw/zinc/58/91/03/455589103.db2.gz XRPBIGOMBKUZRC-UHFFFAOYSA-N -1 0 346.799 3.197 20 30 EGEDRM CN(C)c1ccccc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000186584516 455798932 /nfs/dbraw/zinc/79/89/32/455798932.db2.gz YFCGPKMHAFQCJL-UHFFFAOYSA-N -1 0 335.816 3.078 20 30 EGEDRM N#C[C@]1(NC(=O)c2ccc([O-])c(Cl)c2)CCc2ccccc2C1 ZINC000186910379 455850337 /nfs/dbraw/zinc/85/03/37/455850337.db2.gz FFOQPOOGEQGTRM-SFHVURJKSA-N -1 0 326.783 3.227 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)nc1 ZINC000194570831 455859777 /nfs/dbraw/zinc/85/97/77/455859777.db2.gz KRTCLWWAGYSZPF-UHFFFAOYSA-N -1 0 342.207 3.202 20 30 EGEDRM N#Cc1cc(F)ccc1[N-]S(=O)(=O)Cc1cc(Cl)ccc1F ZINC000194672812 455872144 /nfs/dbraw/zinc/87/21/44/455872144.db2.gz SUSZOGVUZVOKFF-UHFFFAOYSA-N -1 0 342.754 3.432 20 30 EGEDRM N#C[C@@H](NC(=O)c1cccc2n[nH]nc21)c1ccc(Cl)c(Cl)c1 ZINC000187843393 455960484 /nfs/dbraw/zinc/96/04/84/455960484.db2.gz OFCDIHCPJMJDIH-CYBMUJFWSA-N -1 0 346.177 3.259 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(OC3CCCC3)c2)cn1 ZINC000195441293 455962030 /nfs/dbraw/zinc/96/20/30/455962030.db2.gz ABTJHHOJISMNKO-UHFFFAOYSA-N -1 0 343.408 3.075 20 30 EGEDRM Cc1ccc(N2CCOCC2)cc1/N=C/c1cc([N+](=O)[O-])ccc1[O-] ZINC000280455919 455975245 /nfs/dbraw/zinc/97/52/45/455975245.db2.gz WFAZXIMGAQXTIT-XDHOZWIPSA-N -1 0 341.367 3.196 20 30 EGEDRM CC(C)(C)Oc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C#N)nc1 ZINC000270844714 456051665 /nfs/dbraw/zinc/05/16/65/456051665.db2.gz XFAOQOJGWNCXPQ-UHFFFAOYSA-N -1 0 349.387 3.070 20 30 EGEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccccc1SC ZINC000188393213 456055262 /nfs/dbraw/zinc/05/52/62/456055262.db2.gz FEAAKZABMBXACY-UHFFFAOYSA-N -1 0 348.449 3.480 20 30 EGEDRM C=CCC[C@@H](NC(=O)[C@@H](C)Oc1ccccc1C(F)(F)F)C(=O)[O-] ZINC000263033609 456080745 /nfs/dbraw/zinc/08/07/45/456080745.db2.gz ZCGBREGKVGHSPJ-ZYHUDNBSSA-N -1 0 345.317 3.008 20 30 EGEDRM C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C(F)(F)F ZINC000288683399 456102790 /nfs/dbraw/zinc/10/27/90/456102790.db2.gz USLSZRIOMQEAPZ-YFKPBYRVSA-N -1 0 339.232 3.074 20 30 EGEDRM C[C@H](c1cccc(C#N)c1)[NH+]1CCC(CNC(=O)C(F)(F)F)CC1 ZINC000281263930 456182455 /nfs/dbraw/zinc/18/24/55/456182455.db2.gz HQISENHJYMBJQC-GFCCVEGCSA-N -1 0 339.361 3.010 20 30 EGEDRM N#CC(=C([O-])c1coc(C2CCCC2)n1)c1nnc2n1CCCCC2 ZINC000328699229 456739306 /nfs/dbraw/zinc/73/93/06/456739306.db2.gz MDUIFVZQTLJPMW-ZDUSSCGKSA-N -1 0 339.399 3.140 20 30 EGEDRM N#CCCCCS(=O)(=O)[N-][C@@H](C1CCCCC1)C(F)(F)F ZINC000343990092 456787894 /nfs/dbraw/zinc/78/78/94/456787894.db2.gz AIWYWDPCQAXMIG-LBPRGKRZSA-N -1 0 326.384 3.111 20 30 EGEDRM N#CC(=C([O-])c1ccnc(NC(=O)C2CC2)c1)c1nc2ccccc2o1 ZINC000353644203 456825002 /nfs/dbraw/zinc/82/50/02/456825002.db2.gz MLFWSKFUOBNVPJ-ZDUSSCGKSA-N -1 0 346.346 3.061 20 30 EGEDRM Cc1csc2ncc(/C([O-])=N/[C@@H]3CC[C@@H]4CCC[C@H]4C3)c(=O)n12 ZINC000329229819 456858440 /nfs/dbraw/zinc/85/84/40/456858440.db2.gz JODQNSOXPINNKT-RWMBFGLXSA-N -1 0 331.441 3.338 20 30 EGEDRM CCOC(=O)c1ccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)nc1 ZINC000345565141 456982874 /nfs/dbraw/zinc/98/28/74/456982874.db2.gz HAPXMTWVXHMRDL-GFCCVEGCSA-N -1 0 343.408 3.328 20 30 EGEDRM Cn1cnc2cc(C([O-])=C(C#N)c3nc4ccccc4s3)cnc21 ZINC000345625258 456985785 /nfs/dbraw/zinc/98/57/85/456985785.db2.gz HHUSZWHZGCBHLW-NSHDSACASA-N -1 0 333.376 3.068 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)c2nc3ccccc3n2C)cc([N+](=O)[O-])c1 ZINC000358890879 457026444 /nfs/dbraw/zinc/02/64/44/457026444.db2.gz BPDCSCRCZHAZAH-AWEZNQCLSA-N -1 0 334.335 3.280 20 30 EGEDRM N#CC(=C([O-])c1csc(Cc2ccc(F)cc2)n1)c1ccncn1 ZINC000354478448 457249383 /nfs/dbraw/zinc/24/93/83/457249383.db2.gz VBVPRRYTFHUVTC-ZDUSSCGKSA-N -1 0 338.367 3.153 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cccc(C(C)C)n2)n1 ZINC000354588303 457290363 /nfs/dbraw/zinc/29/03/63/457290363.db2.gz VYMMMWZVJPCIHZ-LLVKDONJSA-N -1 0 343.408 3.328 20 30 EGEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)o2)c2cccnc2c1C ZINC000342502676 457337770 /nfs/dbraw/zinc/33/77/70/457337770.db2.gz YDJMWOGIAYMYDA-UHFFFAOYSA-N -1 0 327.365 3.117 20 30 EGEDRM CCCn1ccc2ccc([N-]S(=O)(=O)c3cncc(C#N)c3)cc21 ZINC000357155121 457350207 /nfs/dbraw/zinc/35/02/07/457350207.db2.gz XBAZWPIVPQBZRY-UHFFFAOYSA-N -1 0 340.408 3.119 20 30 EGEDRM Cc1nn(CC(F)F)c(C)c1C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000355317091 457355590 /nfs/dbraw/zinc/35/55/90/457355590.db2.gz ZVMGLGWBUUYQOM-NSHDSACASA-N -1 0 344.321 3.396 20 30 EGEDRM CCc1c(C([O-])=C(C#N)c2ccncn2)cnn1-c1ccccc1C ZINC000352367353 457358208 /nfs/dbraw/zinc/35/82/08/457358208.db2.gz NSYQZCPRBBNWKH-CQSZACIVSA-N -1 0 331.379 3.023 20 30 EGEDRM N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCCc3ccccc32)c(F)c1 ZINC000342614061 457405213 /nfs/dbraw/zinc/40/52/13/457405213.db2.gz ZQUWPSPLQPLMFZ-MRXNPFEDSA-N -1 0 348.374 3.192 20 30 EGEDRM Cn1ccc2cccc([N-]S(=O)(=O)c3ccccc3CC#N)c21 ZINC000355839566 457422777 /nfs/dbraw/zinc/42/27/77/457422777.db2.gz XCYUCUOXWNPZKG-UHFFFAOYSA-N -1 0 325.393 3.045 20 30 EGEDRM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc(C#N)c(F)c1 ZINC000357447282 457534237 /nfs/dbraw/zinc/53/42/37/457534237.db2.gz COPUZBUDPNIXRB-UHFFFAOYSA-N -1 0 349.343 3.023 20 30 EGEDRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccc(C#N)c(F)c2)c1 ZINC000357450784 457536079 /nfs/dbraw/zinc/53/60/79/457536079.db2.gz IVYVDLNTTGPKMN-UHFFFAOYSA-N -1 0 341.367 3.355 20 30 EGEDRM C[C@H]1Oc2c(cccc2C([O-])=C(C#N)c2nc3ccccc3o2)NC1=O ZINC000352698057 457539215 /nfs/dbraw/zinc/53/92/15/457539215.db2.gz NWAUMQYVUZHEAQ-ZYHUDNBSSA-N -1 0 347.330 3.037 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2)c(F)cc1F ZINC000357475126 457551654 /nfs/dbraw/zinc/55/16/54/457551654.db2.gz RMNXJIFSDBTAFV-UHFFFAOYSA-N -1 0 326.299 3.085 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2-c2cccs2)cn1 ZINC000357545549 457588314 /nfs/dbraw/zinc/58/83/14/457588314.db2.gz OPEGPOCWNGKWFV-UHFFFAOYSA-N -1 0 341.417 3.483 20 30 EGEDRM CCc1c(NC(=O)c2ccc(C#N)c([O-])c2)onc1C(F)(F)F ZINC000356401540 457607666 /nfs/dbraw/zinc/60/76/66/457607666.db2.gz CCRFISPULYEQHK-UHFFFAOYSA-N -1 0 325.246 3.085 20 30 EGEDRM COc1cncc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)n1 ZINC000361196596 457641968 /nfs/dbraw/zinc/64/19/68/457641968.db2.gz ZRYXNMJUHURGDE-VIFPVBQESA-N -1 0 344.783 3.238 20 30 EGEDRM N#CC(=C([O-])c1ccc(OC(F)F)cn1)c1nc2ccccc2o1 ZINC000357996868 457735463 /nfs/dbraw/zinc/73/54/63/457735463.db2.gz WTIQQDAQYVTLDM-SNVBAGLBSA-N -1 0 329.262 3.314 20 30 EGEDRM CC(C)Oc1cc(C([O-])=C(C#N)c2cnc3ccccc3n2)ccn1 ZINC000361542470 457782265 /nfs/dbraw/zinc/78/22/65/457782265.db2.gz ZDJIZPWFOCPAHP-CQSZACIVSA-N -1 0 332.363 3.302 20 30 EGEDRM C=CCN(Cc1ccccc1)C(=O)N=c1ccc(C(F)(F)F)n[n-]1 ZINC000361819182 457883182 /nfs/dbraw/zinc/88/31/82/457883182.db2.gz ZAKUPASSFDHDIN-UHFFFAOYSA-N -1 0 336.317 3.137 20 30 EGEDRM C=CCCCS(=O)(=O)[N-]c1c(C)c(F)ccc1C(=O)OCC ZINC000427748936 458030799 /nfs/dbraw/zinc/03/07/99/458030799.db2.gz NEKYDXXGHULAOH-UHFFFAOYSA-N -1 0 329.393 3.019 20 30 EGEDRM CC(C)n1ccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)n1 ZINC000358645841 458126844 /nfs/dbraw/zinc/12/68/44/458126844.db2.gz CXIKQUCXOOQYQU-CYBMUJFWSA-N -1 0 337.408 3.473 20 30 EGEDRM CCC(CC)(CC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)C(=O)[O-] ZINC000416383080 458346460 /nfs/dbraw/zinc/34/64/60/458346460.db2.gz BQHWANKXVLPAIT-MRXNPFEDSA-N -1 0 328.412 3.333 20 30 EGEDRM CC1(C)CCc2nc([N-]S(=O)(=O)c3cccc(C#N)c3)sc2C1 ZINC000416422164 458347476 /nfs/dbraw/zinc/34/74/76/458347476.db2.gz JIDSWJKEOXQJPS-UHFFFAOYSA-N -1 0 347.465 3.330 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2oc(C(C)C)nc2C)n1 ZINC000429689355 458358174 /nfs/dbraw/zinc/35/81/74/458358174.db2.gz NZAOIPKUDBDHDZ-SNVBAGLBSA-N -1 0 347.396 3.230 20 30 EGEDRM CCCc1nc(C)c(C([O-])=C(C#N)c2nc(C(=O)OCC)cs2)o1 ZINC000429686045 458358968 /nfs/dbraw/zinc/35/89/68/458358968.db2.gz QPBSQLMQFRRTDP-JTQLQIEISA-N -1 0 347.396 3.059 20 30 EGEDRM C=CCCOCCNC(=O)c1cc(Cl)cc(Br)c1[O-] ZINC000436711691 458365208 /nfs/dbraw/zinc/36/52/08/458365208.db2.gz BFFKWEVQQQKFAE-UHFFFAOYSA-N -1 0 348.624 3.131 20 30 EGEDRM O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1ccc(F)cc1[O-] ZINC000436758437 458376239 /nfs/dbraw/zinc/37/62/39/458376239.db2.gz XOQREDZMWXNVPJ-UHFFFAOYSA-N -1 0 337.272 3.332 20 30 EGEDRM Cc1ccc(F)cc1-c1n[n-]c(=NC(=O)NCC(C)(C)CC#N)s1 ZINC000459522900 458398926 /nfs/dbraw/zinc/39/89/26/458398926.db2.gz LBMIXEZLXQNLMT-UHFFFAOYSA-N -1 0 347.419 3.136 20 30 EGEDRM CC(C)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1C#N ZINC000436962841 458413870 /nfs/dbraw/zinc/41/38/70/458413870.db2.gz YAZRMRSFKQVQKI-UHFFFAOYSA-N -1 0 341.323 3.212 20 30 EGEDRM C=CCC[C@@H](NC(=O)CCCOc1ccc(Cl)cc1)C(=O)[O-] ZINC000448991690 458418762 /nfs/dbraw/zinc/41/87/62/458418762.db2.gz JQZWUEXTFLWWOE-CQSZACIVSA-N -1 0 325.792 3.035 20 30 EGEDRM C=CCC(C)(C)C(=O)N=c1nc(Cc2ccc(F)cc2F)[n-]s1 ZINC000450589878 458453108 /nfs/dbraw/zinc/45/31/08/458453108.db2.gz YAJZGAVYTVPFBS-UHFFFAOYSA-N -1 0 337.395 3.370 20 30 EGEDRM CC(=O)Nc1ccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)nc1 ZINC000430596849 458468918 /nfs/dbraw/zinc/46/89/18/458468918.db2.gz XSYQTSODSIGQMS-GFCCVEGCSA-N -1 0 342.424 3.284 20 30 EGEDRM C=CCN=c1[n-]nc(S[C@H](C)c2cc(C(=O)OC)c(C)o2)s1 ZINC000430983788 458513367 /nfs/dbraw/zinc/51/33/67/458513367.db2.gz ISESUEDHOOGRFV-SECBINFHSA-N -1 0 339.442 3.099 20 30 EGEDRM C=CCCCCNC(=O)N=c1[n-]nc(-c2ccccc2OC)s1 ZINC000455753901 458610780 /nfs/dbraw/zinc/61/07/80/458610780.db2.gz FAASPTPDYSBGJI-UHFFFAOYSA-N -1 0 332.429 3.113 20 30 EGEDRM C=CC1CCN(C(=O)c2nn(-c3ccccc3CC)cc2[O-])CC1 ZINC000438896020 458627755 /nfs/dbraw/zinc/62/77/55/458627755.db2.gz PURZKBBZQWRCIL-UHFFFAOYSA-N -1 0 325.412 3.179 20 30 EGEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)NCC(CC)(CC)C(=O)[O-] ZINC000424415700 458636651 /nfs/dbraw/zinc/63/66/51/458636651.db2.gz SYYWSIYEWXLEMR-UHFFFAOYSA-N -1 0 348.443 3.284 20 30 EGEDRM CCC(CC)(CNC(=O)N[C@@H](CCC#N)c1ccccc1)C(=O)[O-] ZINC000424419880 458637995 /nfs/dbraw/zinc/63/79/95/458637995.db2.gz YSUJQCDICGMYSP-HNNXBMFYSA-N -1 0 331.416 3.222 20 30 EGEDRM C=CCN(CC=C)C(=O)N=c1[n-]nc(-c2cc(F)ccc2C)s1 ZINC000471357590 458691238 /nfs/dbraw/zinc/69/12/38/458691238.db2.gz PIXNCYMHAIAPQC-UHFFFAOYSA-N -1 0 332.404 3.280 20 30 EGEDRM N#CCC[C@H](NC(=O)N=c1ccc(C(F)(F)F)n[n-]1)c1ccccc1 ZINC000471954186 458757128 /nfs/dbraw/zinc/75/71/28/458757128.db2.gz TTXHIKQCMZHYAT-LBPRGKRZSA-N -1 0 349.316 3.084 20 30 EGEDRM C=CCn1c(=N)[n-]nc1SCc1coc(-c2ccc(Cl)cc2)n1 ZINC000515587468 458810994 /nfs/dbraw/zinc/81/09/94/458810994.db2.gz GGWPBSDFEQPWTQ-UHFFFAOYSA-N -1 0 347.831 3.477 20 30 EGEDRM N#CC(=C([O-])c1ccc(O[C@H]2CCOC2)cc1)c1nc2ccccc2o1 ZINC000517665917 458830567 /nfs/dbraw/zinc/83/05/67/458830567.db2.gz ZXVVOGCIIWDPBC-HOTGVXAUSA-N -1 0 348.358 3.486 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CCC3)c(F)c1 ZINC000530924872 458845982 /nfs/dbraw/zinc/84/59/82/458845982.db2.gz MEHKFQSVWQKPBJ-UHFFFAOYSA-N -1 0 344.367 3.017 20 30 EGEDRM Cc1cc([N-]S(=O)(=O)c2csc3ccccc32)n(CCC#N)n1 ZINC000552017146 458890405 /nfs/dbraw/zinc/89/04/05/458890405.db2.gz OWBSBVXHAILBMT-UHFFFAOYSA-N -1 0 346.437 3.121 20 30 EGEDRM Cc1cc(N2CCC[C@H](CC(=O)[O-])C2)n2c3ccccc3nc2c1C#N ZINC000519528822 458957500 /nfs/dbraw/zinc/95/75/00/458957500.db2.gz WGUDGYXCQXDAFR-CQSZACIVSA-N -1 0 348.406 3.359 20 30 EGEDRM N#CC1(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)CC1 ZINC000556677427 458986197 /nfs/dbraw/zinc/98/61/97/458986197.db2.gz BWOCKFNOWKJRBA-UHFFFAOYSA-N -1 0 339.631 3.229 20 30 EGEDRM Cc1sc(Br)c(C([O-])=C(C#N)c2ccncn2)c1C ZINC000442541407 459011934 /nfs/dbraw/zinc/01/19/34/459011934.db2.gz RWLKDIHKMDKMHZ-SECBINFHSA-N -1 0 336.214 3.408 20 30 EGEDRM N#Cc1cc(C(=O)Nc2c([O-])cc(Br)cc2Cl)c[nH]1 ZINC000556846317 459021050 /nfs/dbraw/zinc/02/10/50/459021050.db2.gz HKZPFTXZIZQJEQ-UHFFFAOYSA-N -1 0 340.564 3.260 20 30 EGEDRM C=C(CNC(=O)N=c1ccc(-c2ccccc2)n[n-]1)c1ccccc1 ZINC000477073792 459030376 /nfs/dbraw/zinc/03/03/76/459030376.db2.gz WZPFRPGCQNRXMI-UHFFFAOYSA-N -1 0 330.391 3.400 20 30 EGEDRM CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000594698242 459134105 /nfs/dbraw/zinc/13/41/05/459134105.db2.gz YVLGKQKMEFHDMM-UHFFFAOYSA-N -1 0 346.431 3.223 20 30 EGEDRM N#Cc1ccsc1C(=O)N=c1nc(-c2cccc(Cl)c2)[n-]s1 ZINC000522111994 459214607 /nfs/dbraw/zinc/21/46/07/459214607.db2.gz DPQIPBMFFBQGMW-UHFFFAOYSA-N -1 0 346.824 3.466 20 30 EGEDRM C=CCC[C@H](NC(=O)N[C@@H]1CCSc2c(F)cccc21)C(=O)[O-] ZINC000579681187 459251020 /nfs/dbraw/zinc/25/10/20/459251020.db2.gz USBKEWLKAMOMPW-OLZOCXBDSA-N -1 0 338.404 3.081 20 30 EGEDRM Cc1noc(-c2ccccc2)c1[N-]S(=O)(=O)CCC(C)(C)C#N ZINC000580453338 459260691 /nfs/dbraw/zinc/26/06/91/459260691.db2.gz VZHKFAUFOLIWNK-UHFFFAOYSA-N -1 0 333.413 3.332 20 30 EGEDRM CCOc1cccc(S(=O)(=O)[N-]c2sc(CC)cc2C#N)c1 ZINC000568577560 459309353 /nfs/dbraw/zinc/30/93/53/459309353.db2.gz NUNKXPQJQRMKID-UHFFFAOYSA-N -1 0 336.438 3.382 20 30 EGEDRM C=CC[C@@H](CC)NC(=O)N[C@@H](C(=O)[O-])c1ccc(OC)c(Cl)c1 ZINC000583188495 459497975 /nfs/dbraw/zinc/49/79/75/459497975.db2.gz MTAYPZMAMQDEPF-BXUZGUMPSA-N -1 0 340.807 3.128 20 30 EGEDRM C=CCC1(C(=O)N=c2nc(-c3cccnc3)[n-]s2)CCCCC1 ZINC000562528726 459579484 /nfs/dbraw/zinc/57/94/84/459579484.db2.gz WZRDWZXUSRBGFI-UHFFFAOYSA-N -1 0 328.441 3.487 20 30 EGEDRM COC(=O)c1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)c(F)c1 ZINC000592399465 459593272 /nfs/dbraw/zinc/59/32/72/459593272.db2.gz REEUMAPFAWNPLZ-GFCCVEGCSA-N -1 0 344.367 3.436 20 30 EGEDRM C=CCCCCNC(=O)N[C@H](C(=O)[O-])c1ccc(OC(F)F)cc1 ZINC000562648466 459611438 /nfs/dbraw/zinc/61/14/38/459611438.db2.gz PGQOSFKPTCIWKE-ZDUSSCGKSA-N -1 0 342.342 3.069 20 30 EGEDRM C=CCC[C@@H](NC(=O)Nc1cccc(-n2nc(C)cc2C)c1)C(=O)[O-] ZINC000573182055 459638500 /nfs/dbraw/zinc/63/85/00/459638500.db2.gz RHWHYFZRVUOXHU-MRXNPFEDSA-N -1 0 342.399 3.030 20 30 EGEDRM C[C@H](NCc1cccc(OCCCC#N)c1)c1ncc(C(=O)[O-])s1 ZINC000573444616 459678163 /nfs/dbraw/zinc/67/81/63/459678163.db2.gz HAOATRFDROKNJF-LBPRGKRZSA-N -1 0 345.424 3.375 20 30 EGEDRM C=CCOc1ccc(CN[C@H](C)c2ncc(C(=O)[O-])s2)cc1OC ZINC000573564262 459698519 /nfs/dbraw/zinc/69/85/19/459698519.db2.gz DLHJJNANZWNHGX-LLVKDONJSA-N -1 0 348.424 3.266 20 30 EGEDRM Cc1cc(NC(=O)/C=C\c2ccc(OCC#N)cc2)ccc1C(=O)[O-] ZINC000493164749 459735763 /nfs/dbraw/zinc/73/57/63/459735763.db2.gz WCQJFHNGFNSYOL-WTKPLQERSA-N -1 0 336.347 3.248 20 30 EGEDRM COCCCn1cc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)cn1 ZINC000529010695 459820971 /nfs/dbraw/zinc/82/09/71/459820971.db2.gz UNZSBSWMWBFKLM-ZDUSSCGKSA-N -1 0 346.456 3.164 20 30 EGEDRM C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2F)c1 ZINC000610058717 460056615 /nfs/dbraw/zinc/05/66/15/460056615.db2.gz WDCDKKDUFYGXBW-UHFFFAOYSA-N -1 0 346.383 3.453 20 30 EGEDRM Cc1cc2cccnc2c(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2)c1 ZINC000589594396 460107238 /nfs/dbraw/zinc/10/72/38/460107238.db2.gz UUTPEBNFAWGULP-UHFFFAOYSA-N -1 0 341.367 3.355 20 30 EGEDRM N#CC1(CSc2n[n-]c(=NCc3ccc(F)cc3)s2)CCC1 ZINC000576345496 460122302 /nfs/dbraw/zinc/12/23/02/460122302.db2.gz FRTXJWRLELIBGS-UHFFFAOYSA-N -1 0 334.445 3.497 20 30 EGEDRM C[C@@H](NC(=O)C[C@@](C)(C(=O)[O-])c1ccccc1)c1cccc(C#N)c1 ZINC000610335034 460123225 /nfs/dbraw/zinc/12/32/25/460123225.db2.gz PMEWQYSBINWNSF-JLTOFOAXSA-N -1 0 336.391 3.168 20 30 EGEDRM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1c[nH]c(C(C)C)n1 ZINC000610479053 460161654 /nfs/dbraw/zinc/16/16/54/460161654.db2.gz YEVLYYKUQFIUNJ-UHFFFAOYSA-N -1 0 347.444 3.027 20 30 EGEDRM C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)N=c1[n-]n(C)cc1C#N ZINC000610564543 460184699 /nfs/dbraw/zinc/18/46/99/460184699.db2.gz IRNYMYJYKFGBMQ-AWEZNQCLSA-N -1 0 337.427 3.109 20 30 EGEDRM CC1N=NC(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)=C1[O-] ZINC000610968160 460267532 /nfs/dbraw/zinc/26/75/32/460267532.db2.gz ACNSZJNKIAOLEQ-UHFFFAOYSA-N -1 0 348.362 3.127 20 30 EGEDRM N#Cc1ccc(Cc2cnc([N-]c3ncnc4nccnc34)s2)cc1 ZINC000611059695 460284001 /nfs/dbraw/zinc/28/40/01/460284001.db2.gz ZMWRUGSDUBLILM-UHFFFAOYSA-N -1 0 345.391 3.082 20 30 EGEDRM N#Cc1nc(NC(=O)c2cc3c(cccc3Cl)s2)[n-]c1C#N ZINC000603550636 460320595 /nfs/dbraw/zinc/32/05/95/460320595.db2.gz VMKLKPKAZFLMPV-UHFFFAOYSA-N -1 0 327.756 3.273 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2sc(C)cc2C)n1 ZINC000601730773 460884902 /nfs/dbraw/zinc/88/49/02/460884902.db2.gz RGFCAHSRSCFGRM-JTQLQIEISA-N -1 0 334.422 3.488 20 30 EGEDRM COc1ccc(Br)c(-n2[n-]c(C)c(CCC#N)c2=O)c1 ZINC000601946458 460955713 /nfs/dbraw/zinc/95/57/13/460955713.db2.gz ZEHRYBYVBJWLEV-LLVKDONJSA-N -1 0 336.189 3.100 20 30 EGEDRM C[C@@H](S[C@@H](C)C(=O)[O-])C(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000601985546 460971589 /nfs/dbraw/zinc/97/15/89/460971589.db2.gz YGZNKLBUDVUZDQ-BDAKNGLRSA-N -1 0 338.454 3.032 20 30 EGEDRM N#CCc1ccc(NC(=O)C[C@@]2(C(=O)[O-])CCCc3ccccc32)cc1 ZINC000601986526 460972509 /nfs/dbraw/zinc/97/25/09/460972509.db2.gz PMIDPUCSVMMZOW-NRFANRHFSA-N -1 0 348.402 3.440 20 30 EGEDRM C=CC[C@@H]1CCCN(C(=O)c2nn(-c3cccc(F)c3)cc2[O-])C1 ZINC000617779301 460974746 /nfs/dbraw/zinc/97/47/46/460974746.db2.gz YIMOYZIDNGHKNO-CYBMUJFWSA-N -1 0 329.375 3.145 20 30 EGEDRM C=C(C)C[C@H](NC(=O)CCc1cccc(OC2CCCC2)c1)C(=O)[O-] ZINC000630326127 461095655 /nfs/dbraw/zinc/09/56/55/461095655.db2.gz NLECURBNPBBKJK-SFHVURJKSA-N -1 0 345.439 3.476 20 30 EGEDRM C=CCC[C@@H](NC(=O)Nc1ccc(OCCC)c(OC)c1)C(=O)[O-] ZINC000630553413 461186977 /nfs/dbraw/zinc/18/69/77/461186977.db2.gz RVABLASXUZSIPW-CYBMUJFWSA-N -1 0 336.388 3.025 20 30 EGEDRM C=CCOc1c(Cl)cc(CN=c2[n-]nc([C@@H]3C[C@H]3C)o2)cc1OC ZINC000630960278 461440551 /nfs/dbraw/zinc/44/05/51/461440551.db2.gz IPOGZIIHIGYBIQ-ZYHUDNBSSA-N -1 0 349.818 3.454 20 30 EGEDRM N#CC(=C([O-])c1cn(Cc2ccccc2)nn1)c1nc(C2CC2)cs1 ZINC000647374556 461666129 /nfs/dbraw/zinc/66/61/29/461666129.db2.gz GJHLDAPJBRKFBA-CQSZACIVSA-N -1 0 349.419 3.150 20 30 EGEDRM C=C(C)CCNc1nc(CN(C)C)nc2sc(C(=O)[O-])c(C)c21 ZINC000649390475 462496793 /nfs/dbraw/zinc/49/67/93/462496793.db2.gz VUZSGOPODDDALY-UHFFFAOYSA-N -1 0 334.445 3.138 20 30 EGEDRM CCc1csc([N-]S(=O)(=O)c2cccc(Cl)c2C#N)n1 ZINC000073314169 463602522 /nfs/dbraw/zinc/60/25/22/463602522.db2.gz GSSDEHRFNAGHSR-UHFFFAOYSA-N -1 0 327.818 3.031 20 30 EGEDRM CC(=O)N1CCc2cc(C([O-])=C(C#N)c3nc4ccccc4o3)ccc21 ZINC000041542982 519631109 /nfs/dbraw/zinc/63/11/09/519631109.db2.gz XEUVSTZQRDSCIR-OAHLLOKOSA-N -1 0 345.358 3.227 20 30 EGEDRM COc1ccc2nc(/C=C\c3nc(C#N)cs3)cc(C(=O)[O-])c2c1 ZINC000357146687 537044715 /nfs/dbraw/zinc/04/47/15/537044715.db2.gz IQGDBVGXBVMJBS-DJWKRKHSSA-N -1 0 337.360 3.440 20 30 EGEDRM C=CCOc1cccnc1C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000683312838 550216569 /nfs/dbraw/zinc/21/65/69/550216569.db2.gz KHDODBVHCJUCJS-UHFFFAOYSA-N -1 0 332.743 3.250 20 30 EGEDRM CCCCCC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000727951909 574705895 /nfs/dbraw/zinc/70/58/95/574705895.db2.gz PFXFIRPJEABKLC-CQSZACIVSA-N -1 0 336.457 3.360 20 30 EGEDRM C=CCNC(=O)C(C#N)=C([O-])c1sc2cc(C)ccc2c1Cl ZINC000729188860 574822410 /nfs/dbraw/zinc/82/24/10/574822410.db2.gz RDDAIMUEGXVLEI-LLVKDONJSA-N -1 0 332.812 3.488 20 30 EGEDRM C#CCOc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2F)c1 ZINC000730996249 575043017 /nfs/dbraw/zinc/04/30/17/575043017.db2.gz JNRYRQWIHVIOBP-UHFFFAOYSA-N -1 0 339.775 3.292 20 30 EGEDRM O=c1[nH]c2c(cc1CN=Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])CCC2 ZINC000733081026 575305985 /nfs/dbraw/zinc/30/59/85/575305985.db2.gz KJXSCBWCQYPATP-WSVATBPTSA-N -1 0 347.758 3.162 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)/C=C/C2CCCCC2)n1 ZINC000735562292 575680504 /nfs/dbraw/zinc/68/05/04/575680504.db2.gz LOBJESGNQVHXEJ-HSBSLETESA-N -1 0 332.425 3.308 20 30 EGEDRM C#CCCNC(=O)c1ccccc1SCc1occc1C(=O)[O-] ZINC000736076217 575896059 /nfs/dbraw/zinc/89/60/59/575896059.db2.gz CALYCRIYQTWSGI-UHFFFAOYSA-N -1 0 329.377 3.023 20 30 EGEDRM C#CCOc1ccc(C(=O)N(c2ccccc2)[C@@H](CC)C(=O)[O-])cc1 ZINC000736075786 575896128 /nfs/dbraw/zinc/89/61/28/575896128.db2.gz HOQJOOSKMDPHEV-SFHVURJKSA-N -1 0 337.375 3.209 20 30 EGEDRM C=CCN(Cc1cccs1)C(=O)[C@@H](C)SC[C@@H](C)C(=O)[O-] ZINC000736108465 575896954 /nfs/dbraw/zinc/89/69/54/575896954.db2.gz HHHJVNUVADSNDL-VXGBXAGGSA-N -1 0 327.471 3.105 20 30 EGEDRM C=CCCCN(C)C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC000736097342 575899221 /nfs/dbraw/zinc/89/92/21/575899221.db2.gz IRRYBCQHXGHQSW-UHFFFAOYSA-N -1 0 331.416 3.415 20 30 EGEDRM CC(=O)N1CCCc2cc(N[C@@H](C(=O)[O-])c3ccc(C#N)cc3)ccc21 ZINC000736133549 575903345 /nfs/dbraw/zinc/90/33/45/575903345.db2.gz BFPGMCAIIZENRE-LJQANCHMSA-N -1 0 349.390 3.095 20 30 EGEDRM C[C@@H](OC(=O)C=Cc1ccccc1-c1nn[nH]n1)c1cccc(C#N)c1 ZINC000736153057 575907778 /nfs/dbraw/zinc/90/77/78/575907778.db2.gz PNTCUNXCUSVUPR-WTNCMQEWSA-N -1 0 345.362 3.056 20 30 EGEDRM CC(C)(C)n1cc(C#N)cc1NC(=O)c1cccc(NC(=O)[O-])c1 ZINC000736305707 575931260 /nfs/dbraw/zinc/93/12/60/575931260.db2.gz MHHCMYPHIPGBFA-UHFFFAOYSA-N -1 0 326.356 3.457 20 30 EGEDRM CC(C)(NC(=O)[O-])C(=O)OCc1ccc(-c2ccccc2C#N)cc1 ZINC000736335904 575937522 /nfs/dbraw/zinc/93/75/22/575937522.db2.gz BLIUFIVZRATJDN-UHFFFAOYSA-N -1 0 338.363 3.315 20 30 EGEDRM CC(C)C[C@@H](C/N=C/c1cc(Br)ccc1O)C(=O)[O-] ZINC000736403190 575951334 /nfs/dbraw/zinc/95/13/34/575951334.db2.gz BJRTXYZBVILBHP-JRUYLCMPSA-N -1 0 328.206 3.321 20 30 EGEDRM CC(C)Oc1nnc(S[C@H](C(=O)[O-])c2ccc(C#N)cc2)s1 ZINC000736493245 575973478 /nfs/dbraw/zinc/97/34/78/575973478.db2.gz QEPPJHPOQWFJPN-NSHDSACASA-N -1 0 335.410 3.115 20 30 EGEDRM C[C@H](CC(=O)[O-])SCC(=O)C=C1N(C)c2ccccc2C1(C)C ZINC000736551882 575983136 /nfs/dbraw/zinc/98/31/36/575983136.db2.gz LOJDEBQMCWONEB-HMHNVIDESA-N -1 0 333.453 3.463 20 30 EGEDRM Cc1nc(C(C)C)sc1C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000738841974 576056823 /nfs/dbraw/zinc/05/68/23/576056823.db2.gz XHJBMSKSCAHTDL-ZDUSSCGKSA-N -1 0 344.392 3.429 20 30 EGEDRM Cc1c(NC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)cccc1C(=O)[O-] ZINC000738300909 576311958 /nfs/dbraw/zinc/31/19/58/576311958.db2.gz XSIZYEXMUOAPQQ-SFHVURJKSA-N -1 0 349.390 3.172 20 30 EGEDRM Cc1ccc(SCC(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000738667600 576348608 /nfs/dbraw/zinc/34/86/08/576348608.db2.gz AWHSDSZNZFSJGH-KRWDZBQOSA-N -1 0 341.388 3.328 20 30 EGEDRM N#C[C@@H](C(=O)CCc1ccc(C(=O)[O-])cc1)c1nc2ccccc2[nH]1 ZINC000739075014 576376898 /nfs/dbraw/zinc/37/68/98/576376898.db2.gz QEPLSLTYFOQPJU-AWEZNQCLSA-N -1 0 333.347 3.070 20 30 EGEDRM N#Cc1ccc(-c2cccc(CNc3ccc(C(=O)[O-])nn3)c2)s1 ZINC000739101405 576378074 /nfs/dbraw/zinc/37/80/74/576378074.db2.gz GRHQKMUDALCVIQ-UHFFFAOYSA-N -1 0 336.376 3.387 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)C(=O)[O-])cc1 ZINC000739109392 576378491 /nfs/dbraw/zinc/37/84/91/576378491.db2.gz KWOVNYITYKRKSA-ULQDDVLXSA-N -1 0 339.322 3.170 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)[C@@H]2CSc3ccccc32)C(=O)[O-])cc1 ZINC000739110457 576378510 /nfs/dbraw/zinc/37/85/10/576378510.db2.gz QIXIKDJOXWJXPZ-ZBFHGGJFSA-N -1 0 339.372 3.117 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)C[C@H]2CCc3ccccc3C2)C(=O)[O-])cc1 ZINC000739111447 576378596 /nfs/dbraw/zinc/37/85/96/576378596.db2.gz VLYKGZAETQNIMF-YWZLYKJASA-N -1 0 349.386 3.422 20 30 EGEDRM N#Cc1ccc([C@@H](OC(=O)c2c(F)cccc2Cl)C(=O)[O-])cc1 ZINC000739115883 576378663 /nfs/dbraw/zinc/37/86/63/576378663.db2.gz WDAGEHSPLUVCAR-CQSZACIVSA-N -1 0 333.702 3.333 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)c2ccc3ncsc3c2)C(=O)[O-])cc1 ZINC000739115854 576378700 /nfs/dbraw/zinc/37/87/00/576378700.db2.gz VRXOPNFKCBRNQE-HNNXBMFYSA-N -1 0 338.344 3.151 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)c2c(F)cccc2Cl)C(=O)[O-])cc1 ZINC000739115875 576378728 /nfs/dbraw/zinc/37/87/28/576378728.db2.gz WDAGEHSPLUVCAR-AWEZNQCLSA-N -1 0 333.702 3.333 20 30 EGEDRM N#Cc1ccc(CCC(=O)N[C@H](CCC(=O)[O-])c2ccccc2)cc1 ZINC000739117129 576378827 /nfs/dbraw/zinc/37/88/27/576378827.db2.gz ILOXSVBKRZRMGZ-GOSISDBHSA-N -1 0 336.391 3.213 20 30 EGEDRM N#Cc1ccc(SCC(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000739133033 576379432 /nfs/dbraw/zinc/37/94/32/576379432.db2.gz YWFYBTBKFWORLZ-UHFFFAOYSA-N -1 0 330.340 3.126 20 30 EGEDRM CCCc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])cc1 ZINC000741204644 576666552 /nfs/dbraw/zinc/66/65/52/576666552.db2.gz NUTAKECVFCTLQJ-UHFFFAOYSA-N -1 0 345.380 3.220 20 30 EGEDRM CCOc1ccc(/C=N\[C@H]2CCN(c3ccc(C)cc3)C2=O)c(O)c1 ZINC000741465901 576688276 /nfs/dbraw/zinc/68/82/76/576688276.db2.gz ZGQZMJMMZNWINP-PKIWBCANSA-N -1 0 338.407 3.324 20 30 EGEDRM COC(=O)[C@@H](C/N=C\c1cc(Br)ccc1O)CC(C)C ZINC000741464065 576688402 /nfs/dbraw/zinc/68/84/02/576688402.db2.gz KMAYHDPXRDHSRF-DTOZUZIGSA-N -1 0 342.233 3.409 20 30 EGEDRM CN(CC(=O)[O-])C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 ZINC000820562700 597467045 /nfs/dbraw/zinc/46/70/45/597467045.db2.gz RHTURNCTHNZPBC-UHFFFAOYSA-N -1 0 344.754 3.161 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(Br)cc1Cl ZINC000819848114 598222089 /nfs/dbraw/zinc/22/20/89/598222089.db2.gz QCEGTEUZONKCOP-LBPRGKRZSA-N -1 0 345.580 3.046 20 30 EGEDRM CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000820344133 598223735 /nfs/dbraw/zinc/22/37/35/598223735.db2.gz RLXZCZGXEVMJPU-HNNXBMFYSA-N -1 0 342.317 3.058 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000819857751 598225540 /nfs/dbraw/zinc/22/55/40/598225540.db2.gz ZTIBDVDJVSMZAF-INIZCTEOSA-N -1 0 329.381 3.117 20 30 EGEDRM Cc1ccc(Oc2ccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])cc2)nc1 ZINC000821098374 598227760 /nfs/dbraw/zinc/22/77/60/598227760.db2.gz CZDPAVPGFWSPAS-SFHVURJKSA-N -1 0 339.351 3.125 20 30 EGEDRM C[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1cccc(Cl)c1Cl ZINC000820114801 598228219 /nfs/dbraw/zinc/22/82/19/598228219.db2.gz PYTKFMDJBAJEQN-XLKFXECMSA-N -1 0 329.183 3.175 20 30 EGEDRM Cc1cccc(-c2ccc(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])cc2)c1 ZINC000821106888 598228326 /nfs/dbraw/zinc/22/83/26/598228326.db2.gz CDBQRJJYDOODPL-HXUWFJFHSA-N -1 0 336.391 3.283 20 30 EGEDRM C[C@H](Oc1ccc(C#N)cc1)c1nc(-c2cccc(C(=O)[O-])c2)no1 ZINC000827879465 600699993 /nfs/dbraw/zinc/69/99/93/600699993.db2.gz QWJBRXGDDACCKA-NSHDSACASA-N -1 0 335.319 3.446 20 30 EGEDRM Cc1cccc2c1ncc(C#N)c2NCCOc1ccc(C(=O)[O-])cc1 ZINC000832974525 600814486 /nfs/dbraw/zinc/81/44/86/600814486.db2.gz OLSYNELSOGIYSE-UHFFFAOYSA-N -1 0 347.374 3.026 20 30 EGEDRM COc1cc(C#N)cc(Cl)c1OC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000831861284 601147218 /nfs/dbraw/zinc/14/72/18/601147218.db2.gz SWIWSFJQDLZGCO-MNOVXSKESA-N -1 0 337.759 3.017 20 30 EGEDRM N#CCc1ccc(NC(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)cc1 ZINC000833069420 601309798 /nfs/dbraw/zinc/30/97/98/601309798.db2.gz XOXPNSSRYULRQD-INIZCTEOSA-N -1 0 341.342 3.229 20 30 EGEDRM C[C@H](Sc1cccc(C#N)c1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000827915219 601318792 /nfs/dbraw/zinc/31/87/92/601318792.db2.gz MHVWCNAFQMISJO-LBPRGKRZSA-N -1 0 340.404 3.053 20 30 EGEDRM Cc1c(C(=O)/C=C\c2ccc(C(=O)[O-])[nH]2)cnn1-c1ccc(F)cc1 ZINC000832848829 601331631 /nfs/dbraw/zinc/33/16/31/601331631.db2.gz OANWKDOTHYMCAJ-UITAMQMPSA-N -1 0 339.326 3.242 20 30 EGEDRM Cc1nc2ccccc2cc1C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000833006654 601346019 /nfs/dbraw/zinc/34/60/19/601346019.db2.gz QSSVDJMNHIYNHR-GOSISDBHSA-N -1 0 346.342 3.398 20 30 EGEDRM CN(Cc1nc2c(s1)CCCC2)[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000830875120 601356377 /nfs/dbraw/zinc/35/63/77/601356377.db2.gz VQZXFDDYUYSUJU-QGZVFWFLSA-N -1 0 341.436 3.151 20 30 EGEDRM O=C([O-])C[C@H](/N=C/c1ccc(O)c(O)c1O)c1ccc(Cl)cc1 ZINC000833264530 601366215 /nfs/dbraw/zinc/36/62/15/601366215.db2.gz CQHSJILZDQZVHH-MEBUONCMSA-N -1 0 335.743 3.092 20 30 EGEDRM N#CCSc1ccccc1NC(=O)CNc1ccccc1C(=O)[O-] ZINC000833069409 601440577 /nfs/dbraw/zinc/44/05/77/601440577.db2.gz WTMDILPYOGUWOG-UHFFFAOYSA-N -1 0 341.392 3.051 20 30 EGEDRM Cc1ccc(C#N)cc1NC(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC000832910620 601536851 /nfs/dbraw/zinc/53/68/51/601536851.db2.gz WCBGEZZYQLTDQQ-UHFFFAOYSA-N -1 0 338.363 3.199 20 30 EGEDRM CC[C@@H](NC(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1)C(=O)[O-] ZINC000828971405 601679392 /nfs/dbraw/zinc/67/93/92/601679392.db2.gz DHHJPTNYVBHZQG-MRXNPFEDSA-N -1 0 338.363 3.252 20 30 EGEDRM N#CCOc1cccc(NC(=O)N[C@@H]2CCCCCC[C@@H]2C(=O)[O-])c1 ZINC000833067692 602033800 /nfs/dbraw/zinc/03/38/00/602033800.db2.gz HQOBFGLDODTZCJ-JKSUJKDBSA-N -1 0 345.399 3.134 20 30 EGEDRM C#CCCCCNC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000825605600 602042790 /nfs/dbraw/zinc/04/27/90/602042790.db2.gz IYNBCRLCTGGDAQ-UHFFFAOYSA-N -1 0 328.290 3.329 20 30 EGEDRM C[C@H](Oc1ccc(/C=C/C(=O)c2ccc3c(c2)CCO3)cc1)C(=O)[O-] ZINC000794700751 602107991 /nfs/dbraw/zinc/10/79/91/602107991.db2.gz YLTNKEMVTFMQHT-GBVBUYCNSA-N -1 0 338.359 3.370 20 30 EGEDRM CCc1nnc(NC[C@H](C(=O)[O-])c2ccc(C)cc2)c(C#N)c1CC ZINC000830335279 602117282 /nfs/dbraw/zinc/11/72/82/602117282.db2.gz KZCWDJHMXCDHKB-INIZCTEOSA-N -1 0 338.411 3.062 20 30 EGEDRM O=C([O-])c1ccc2[nH]cc(C=NNCCc3ccccc3F)c2c1 ZINC000833324896 602181264 /nfs/dbraw/zinc/18/12/64/602181264.db2.gz HIXAMBNDLUZRTO-UHFFFAOYSA-N -1 0 325.343 3.171 20 30 EGEDRM N#CCn1c(C(=O)Nc2cc(C(=O)[O-])cs2)cc2ccccc21 ZINC000833068882 602182438 /nfs/dbraw/zinc/18/24/38/602182438.db2.gz GKFKFYVECPNJIT-UHFFFAOYSA-N -1 0 325.349 3.177 20 30 EGEDRM Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000833024637 602187422 /nfs/dbraw/zinc/18/74/22/602187422.db2.gz LFRHVTFTDPMGFE-UHFFFAOYSA-N -1 0 341.348 3.262 20 30 EGEDRM C[C@@H](CN(Cc1ccccc1)c1ccc([N+](=O)[O-])cc1C#N)C(=O)[O-] ZINC000827454568 602237345 /nfs/dbraw/zinc/23/73/45/602237345.db2.gz CLNJUDOJPZZAKC-ZDUSSCGKSA-N -1 0 339.351 3.194 20 30 EGEDRM N#Cc1cc(F)ccc1NC(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000831117737 603476774 /nfs/dbraw/zinc/47/67/74/603476774.db2.gz DQCSDNGSDCJKNM-UHFFFAOYSA-N -1 0 342.330 3.151 20 30 EGEDRM C=CC1CCN(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])CC1 ZINC000825660041 604535351 /nfs/dbraw/zinc/53/53/51/604535351.db2.gz NWKCQAPJEUIQJD-MRXNPFEDSA-N -1 0 330.428 3.446 20 30 EGEDRM Cc1cc([C@@H](C)OC(=O)CCc2ccc(C#N)cc2)oc1C(=O)[O-] ZINC000832872719 604558618 /nfs/dbraw/zinc/55/86/18/604558618.db2.gz VCFHFJBMIFVZHJ-GFCCVEGCSA-N -1 0 327.336 3.395 20 30 EGEDRM C#CC[C@@H](NC(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1)c1ccccc1 ZINC000833360535 604644484 /nfs/dbraw/zinc/64/44/84/604644484.db2.gz LEVKXNNFVZILTI-QGZVFWFLSA-N -1 0 340.379 3.192 20 30 EGEDRM CN1c2ccccc2C(C)(C)C1C=CN=Nc1ccc(C(=O)[O-])cn1 ZINC000763368933 604665744 /nfs/dbraw/zinc/66/57/44/604665744.db2.gz QNZYUDKRPFSNOK-WNJHMURRSA-N -1 0 336.395 3.489 20 30 EGEDRM CC(N=Nc1ccc(C(=O)[O-])cn1)c1ccccc1Br ZINC000763369575 604666867 /nfs/dbraw/zinc/66/68/67/604666867.db2.gz YFRQIWGMQCWEFU-UHFFFAOYSA-N -1 0 334.173 3.378 20 30 EGEDRM CC(C)c1ncc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)s1 ZINC000827158589 604840340 /nfs/dbraw/zinc/84/03/40/604840340.db2.gz OPUMHSDZMSRQGH-CYBMUJFWSA-N -1 0 330.365 3.121 20 30 EGEDRM C#Cc1ccc(C(=O)O[C@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)nc1 ZINC000833368497 604881581 /nfs/dbraw/zinc/88/15/81/604881581.db2.gz OTKWQKQNRQQMSR-CQSZACIVSA-N -1 0 349.264 3.222 20 30 EGEDRM CCc1[nH]c(C(=O)N[C@H](CCC#N)c2ccccc2)c(C)c1C(=O)[O-] ZINC000833669730 604941589 /nfs/dbraw/zinc/94/15/89/604941589.db2.gz VYIJDWJHMFRBDP-OAHLLOKOSA-N -1 0 339.395 3.359 20 30 EGEDRM C#C[C@@H](Cc1ccccc1)OC(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC000833360497 605020725 /nfs/dbraw/zinc/02/07/25/605020725.db2.gz KKAHIOLYJBHBJY-INIZCTEOSA-N -1 0 347.370 3.127 20 30 EGEDRM C=C(Cl)C[S@@](=O)Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000833369752 605145578 /nfs/dbraw/zinc/14/55/78/605145578.db2.gz DIKGQMYZAPVUJD-OAQYLSRUSA-N -1 0 325.773 3.041 20 30 EGEDRM C=CCc1cc(CNc2ccc(C(=O)[O-])c(C)n2)cc(OC)c1OC ZINC000833379992 605228635 /nfs/dbraw/zinc/22/86/35/605228635.db2.gz SOMAGBIKUAZERG-UHFFFAOYSA-N -1 0 342.395 3.446 20 30 EGEDRM C=CCCOCCCCC(=O)N1CCCc2c(C(=O)[O-])cccc21 ZINC000833374811 605235152 /nfs/dbraw/zinc/23/51/52/605235152.db2.gz GTNQWCGRDPGRKV-UHFFFAOYSA-N -1 0 331.412 3.427 20 30 EGEDRM C=CCCC[C@H](C)NC(=O)Nc1cc(C(=O)[O-])cc(C(=O)OC)c1 ZINC000833374109 605251904 /nfs/dbraw/zinc/25/19/04/605251904.db2.gz RVNUJGOEURPAKR-NSHDSACASA-N -1 0 334.372 3.038 20 30 EGEDRM CN(CC#Cc1cccc(Cl)c1)c1ccc(OCC(=O)[O-])cc1 ZINC000833691036 605438002 /nfs/dbraw/zinc/43/80/02/605438002.db2.gz HJRLCZSZCGQNBA-UHFFFAOYSA-N -1 0 329.783 3.291 20 30 EGEDRM C=CCN(CCc1ccco1)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000833374339 605480076 /nfs/dbraw/zinc/48/00/76/605480076.db2.gz GRQFKRBIZNQLRT-UHFFFAOYSA-N -1 0 344.367 3.006 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@H]1CCO[C@H](CC)C1 ZINC000833379446 605578339 /nfs/dbraw/zinc/57/83/39/605578339.db2.gz CQCMJKHVGSQMSA-DZGCQCFKSA-N -1 0 348.395 3.233 20 30 EGEDRM Cc1nc(-c2nnn[n-]2)c(N=NCC2CCC(C(C)(C)C)CC2)o1 ZINC000826323110 609467557 /nfs/dbraw/zinc/46/75/57/609467557.db2.gz QQEXFKIWYDCLMD-UHFFFAOYSA-N -1 0 331.424 3.413 20 30 EGEDRM CCc1ccc(CCC(=O)[N-]S(=O)(=O)c2c(C)noc2C)cc1 ZINC000042290228 1291439053 /nfs/dbraw/zinc/43/90/53/1291439053.db2.gz BDURLNXCGRRQGP-UHFFFAOYSA-N -1 0 336.413 3.132 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)CCc2ccc(C#N)cc2)cc1 ZINC000048422098 1291604866 /nfs/dbraw/zinc/60/48/66/1291604866.db2.gz XMOBPRZATXPHIB-UHFFFAOYSA-N -1 0 328.393 3.145 20 30 EGEDRM O=C([N-]S(=O)(=O)c1ccc(F)cc1)c1cccc(OC(F)F)c1 ZINC000048453190 1291605596 /nfs/dbraw/zinc/60/55/96/1291605596.db2.gz VZKMBAAARWXBEM-UHFFFAOYSA-N -1 0 345.298 3.121 20 30 EGEDRM C[C@@H](Oc1cccc(F)c1)C(=O)[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000048454616 1291605751 /nfs/dbraw/zinc/60/57/51/1291605751.db2.gz MEVMEAVCYBJVEX-SNVBAGLBSA-N -1 0 341.335 3.078 20 30 EGEDRM C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)[N-]S(C)(=O)=O ZINC000048487412 1291606658 /nfs/dbraw/zinc/60/66/58/1291606658.db2.gz IKXOKBPBLSRPIP-LURJTMIESA-N -1 0 328.242 3.390 20 30 EGEDRM CCOc1ccccc1C(=O)[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC000048567305 1291611317 /nfs/dbraw/zinc/61/13/17/1291611317.db2.gz GDBZJNLMWGUPBV-UHFFFAOYSA-N -1 0 337.372 3.059 20 30 EGEDRM O=C(CC[C@@H]1CCCO1)[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000048615904 1291613334 /nfs/dbraw/zinc/61/33/34/1291613334.db2.gz XAPQAOMFRVCNKV-HNNXBMFYSA-N -1 0 337.441 3.170 20 30 EGEDRM Cc1cccc(CCC(=O)[N-]S(=O)(=O)N(C)Cc2ccccc2)c1 ZINC000048677252 1291615909 /nfs/dbraw/zinc/61/59/09/1291615909.db2.gz MPSDQBXUZGKOPL-UHFFFAOYSA-N -1 0 346.452 3.261 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)COCCc2ccccc2)c(C)c1 ZINC000060765629 1291940631 /nfs/dbraw/zinc/94/06/31/1291940631.db2.gz FKCSSLIQGYSPMP-UHFFFAOYSA-N -1 0 347.436 3.208 20 30 EGEDRM CC(C)CCSCC(=O)[N-]S(=O)(=O)N(C)Cc1ccccc1 ZINC000066005446 1292103806 /nfs/dbraw/zinc/10/38/06/1292103806.db2.gz SCGSWYIEKWTTTF-UHFFFAOYSA-N -1 0 344.502 3.099 20 30 EGEDRM Cc1cccc(C2(C(=O)[N-]S(=O)(=O)c3cccc(C#N)c3)CC2)c1 ZINC000066003965 1292103984 /nfs/dbraw/zinc/10/39/84/1292103984.db2.gz PHQUJNGBUGRRSC-UHFFFAOYSA-N -1 0 340.404 3.244 20 30 EGEDRM C[C@H](Cc1cccc(F)c1)C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000069284041 1292239087 /nfs/dbraw/zinc/23/90/87/1292239087.db2.gz LKWOPQAFVPGUMA-GFCCVEGCSA-N -1 0 346.383 3.221 20 30 EGEDRM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)COCc2ccccc2)c1 ZINC000069532663 1292244989 /nfs/dbraw/zinc/24/49/89/1292244989.db2.gz JAJDTVURZQGAFW-UHFFFAOYSA-N -1 0 333.409 3.165 20 30 EGEDRM CC(C)[C@H](C)C(=O)[N-]S(=O)(=O)c1sccc1Br ZINC000073288918 1292313305 /nfs/dbraw/zinc/31/33/05/1292313305.db2.gz CVHGGMOWQPLHIX-ZETCQYMHSA-N -1 0 340.264 3.448 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)Cc2cc(F)ccc2F)cc1C ZINC000076757921 1292440296 /nfs/dbraw/zinc/44/02/96/1292440296.db2.gz GHIGVSOFCVFZPK-UHFFFAOYSA-N -1 0 339.363 3.470 20 30 EGEDRM CCN(Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-])C[C@@H](C)C#N ZINC000076919357 1292449181 /nfs/dbraw/zinc/44/91/81/1292449181.db2.gz FKAKEPMTVLLMKU-AWEZNQCLSA-N -1 0 338.407 3.310 20 30 EGEDRM CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000079727652 1292572702 /nfs/dbraw/zinc/57/27/02/1292572702.db2.gz TZQFYRWCGPXCMW-SSDOTTSWSA-N -1 0 326.201 3.064 20 30 EGEDRM C=CCCO[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccccc1Cl ZINC000083791395 1292690362 /nfs/dbraw/zinc/69/03/62/1292690362.db2.gz SEGBCXGMGHOLMH-NSHDSACASA-N -1 0 331.821 3.108 20 30 EGEDRM O=C([N-]S(=O)(=O)c1ccc2c(c1)CCCO2)C(C1CC1)C1CC1 ZINC000091125702 1292821278 /nfs/dbraw/zinc/82/12/78/1292821278.db2.gz OSISPYKPHOPDKZ-UHFFFAOYSA-N -1 0 335.425 3.093 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)Nc1ccc(Br)cc1Cl ZINC000092466440 1292870111 /nfs/dbraw/zinc/87/01/11/1292870111.db2.gz RODGGLFQSDSRAD-UHFFFAOYSA-N -1 0 347.596 3.207 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)C(=O)NC2CC2)sc1-c1ccc(F)cc1 ZINC000102595886 1292978423 /nfs/dbraw/zinc/97/84/23/1292978423.db2.gz LSPYCKNEUWZYSF-AWEZNQCLSA-N -1 0 342.395 3.464 20 30 EGEDRM CCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000107022546 1293058434 /nfs/dbraw/zinc/05/84/34/1293058434.db2.gz GGDROJXWDSEESV-LLVKDONJSA-N -1 0 342.848 3.233 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2cc(C(F)(F)F)ccc2F)C(=O)O1 ZINC000113006449 1293139092 /nfs/dbraw/zinc/13/90/92/1293139092.db2.gz IBSIJOOFULUSCY-JBQRSBCVSA-N -1 0 342.244 3.073 20 30 EGEDRM CC[C@@H](NN=C1CC(c2ccc(Br)cc2F)C1)C(=O)[O-] ZINC000834980717 1293184255 /nfs/dbraw/zinc/18/42/55/1293184255.db2.gz CDUIGQYFTIKVDE-AZMWARKLSA-N -1 0 343.196 3.274 20 30 EGEDRM C=CCC1(C(=O)[N-]S(=O)(=O)c2ccc(OCC)cc2)CCCC1 ZINC000835028659 1293191214 /nfs/dbraw/zinc/19/12/14/1293191214.db2.gz OMHIQPJNBXKXOR-UHFFFAOYSA-N -1 0 337.441 3.027 20 30 EGEDRM C=CCC1(C(=O)[N-]S(=O)(=O)c2ccc(C)cc2F)CCCC1 ZINC000835194419 1293230616 /nfs/dbraw/zinc/23/06/16/1293230616.db2.gz CZTMWBHEOVSUOM-UHFFFAOYSA-N -1 0 325.405 3.076 20 30 EGEDRM Cc1sc(C([O-])=C(C#N)C(=O)NC2CC2)cc1-c1ccc(F)cc1 ZINC000120056234 1293301229 /nfs/dbraw/zinc/30/12/29/1293301229.db2.gz VNHMJSVQKREVRQ-HNNXBMFYSA-N -1 0 342.395 3.464 20 30 EGEDRM CC(C)Sc1ccc(C([O-])=C(C#N)C(=O)c2nccn2C)cc1 ZINC000123189989 1293436717 /nfs/dbraw/zinc/43/67/17/1293436717.db2.gz WDHXUKMKIICGEG-AWEZNQCLSA-N -1 0 327.409 3.126 20 30 EGEDRM Cc1cc2cc(C(=O)[C@@H](C#N)C(=O)Nc3ccccn3)oc2cc1C ZINC000123465827 1293444692 /nfs/dbraw/zinc/44/46/92/1293444692.db2.gz DLSNJKFYBUOKJF-CQSZACIVSA-N -1 0 333.347 3.406 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(N3CCCC3)c2)c(F)c1 ZINC000125505247 1293509174 /nfs/dbraw/zinc/50/91/74/1293509174.db2.gz MQWIRHDKFUXXJX-UHFFFAOYSA-N -1 0 345.399 3.098 20 30 EGEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1ccc(-n2cccc2)cc1 ZINC000127311980 1293559137 /nfs/dbraw/zinc/55/91/37/1293559137.db2.gz HHORUTGQNKWBRE-SFHVURJKSA-N -1 0 335.407 3.249 20 30 EGEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1cccc(-n2cccc2)c1 ZINC000127380120 1293561847 /nfs/dbraw/zinc/56/18/47/1293561847.db2.gz LJLKHZBAYRVQMW-GOSISDBHSA-N -1 0 335.407 3.249 20 30 EGEDRM Cc1nc(-c2cccs2)sc1C([O-])=C(C#N)C(=O)NC(C)C ZINC000130712503 1293665986 /nfs/dbraw/zinc/66/59/86/1293665986.db2.gz SMSKFRFAPXKKAT-SNVBAGLBSA-N -1 0 333.438 3.027 20 30 EGEDRM C=CCOc1cccc(C[N@H+](C)Cc2nc(=O)c3sccc3[n-]2)c1 ZINC000137005442 1293826460 /nfs/dbraw/zinc/82/64/60/1293826460.db2.gz MAANHPUSUBFNPV-UHFFFAOYSA-N -1 0 341.436 3.181 20 30 EGEDRM COc1ccc(C(=O)/C=C/c2ccc(-n3cncn3)c(C)c2)c([O-])c1 ZINC000156617735 1294150904 /nfs/dbraw/zinc/15/09/04/1294150904.db2.gz GLOUSHWMRODGLO-XBXARRHUSA-N -1 0 335.363 3.186 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)c2ccn(-c3ccccc3Cl)n2)c1 ZINC000176818270 1294634182 /nfs/dbraw/zinc/63/41/82/1294634182.db2.gz SQLGXSLLEMLTIT-UHFFFAOYSA-N -1 0 338.754 3.355 20 30 EGEDRM CC(=O)c1cccc(OCCCC(=O)Nc2cc(C#N)ccc2[O-])c1 ZINC000176827685 1294636422 /nfs/dbraw/zinc/63/64/22/1294636422.db2.gz VDIQVYXECKBGCF-UHFFFAOYSA-N -1 0 338.363 3.264 20 30 EGEDRM Cn1cc(C/N=C/c2cc([N+](=O)[O-])ccc2[O-])c(-c2ccccc2)n1 ZINC000180689598 1294906213 /nfs/dbraw/zinc/90/62/13/1294906213.db2.gz DMGSKJHHPIWUPT-VXLYETTFSA-N -1 0 336.351 3.320 20 30 EGEDRM CCc1cccc(S(=O)(=O)[N-]c2ccccc2O[C@@H](C)C#N)c1 ZINC000183135764 1295101545 /nfs/dbraw/zinc/10/15/45/1295101545.db2.gz NHHNSAVWJZBFHN-ZDUSSCGKSA-N -1 0 330.409 3.341 20 30 EGEDRM CCCc1ccc(C(=O)OCC([O-])=C(C#N)c2nc(C)cs2)s1 ZINC000869935438 1295547245 /nfs/dbraw/zinc/54/72/45/1295547245.db2.gz LKGBWXDIUSGXKZ-GFCCVEGCSA-N -1 0 348.449 3.499 20 30 EGEDRM COc1ccccc1Nc1ccc(C([O-])=C(C#N)C(=O)NC2CC2)cc1 ZINC000870143716 1295702230 /nfs/dbraw/zinc/70/22/30/1295702230.db2.gz XMIKTPRFZMEVHR-INIZCTEOSA-N -1 0 349.390 3.040 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cccc(OCC(C)C)c1 ZINC000193371795 1295857801 /nfs/dbraw/zinc/85/78/01/1295857801.db2.gz ZNAFPFMTYXOLNJ-QGZVFWFLSA-N -1 0 330.428 3.350 20 30 EGEDRM CN(C(=O)c1cc(Br)ccc1[O-])c1cccc(C#N)c1 ZINC000220673616 1296125540 /nfs/dbraw/zinc/12/55/40/1296125540.db2.gz IUQAGWAKPPUVHQ-UHFFFAOYSA-N -1 0 331.169 3.303 20 30 EGEDRM Oc1ccc(C=Nn2c(=S)[n-]nc2-c2ccccc2F)c(O)c1 ZINC000254738578 1296476555 /nfs/dbraw/zinc/47/65/55/1296476555.db2.gz HBEYPPDZJBKKSB-UHFFFAOYSA-N -1 0 330.344 3.040 20 30 EGEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N\Cc2ccn3ccnc3c2)c1[O-] ZINC000255203049 1296508456 /nfs/dbraw/zinc/50/84/56/1296508456.db2.gz LACNDWDDCJFBSR-MFOYZWKCSA-N -1 0 330.731 3.221 20 30 EGEDRM Cc1ccc(-c2ccc(C=CC([O-])=C3C(=O)C=C(C)OC3=O)o2)cc1 ZINC000255713494 1296562739 /nfs/dbraw/zinc/56/27/39/1296562739.db2.gz XEIRDJNWVRWBJO-FUKPKEADSA-N -1 0 336.343 3.483 20 30 EGEDRM COc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1cccnc1C#N ZINC000872010626 1296651499 /nfs/dbraw/zinc/65/14/99/1296651499.db2.gz ZVANJFYWHOMMFW-UHFFFAOYSA-N -1 0 345.424 3.060 20 30 EGEDRM C=CCC[C@@H](NC(=O)CCc1ccc(OC(F)(F)F)cc1)C(=O)[O-] ZINC000262896008 1296652115 /nfs/dbraw/zinc/65/21/15/1296652115.db2.gz LVSKHQCIFWRUNO-CYBMUJFWSA-N -1 0 345.317 3.053 20 30 EGEDRM CC[C@@H](C)Oc1cccc([N-]S(=O)(=O)c2cccc(CC#N)c2)n1 ZINC000872009992 1296652108 /nfs/dbraw/zinc/65/21/08/1296652108.db2.gz DJNUXODIZAEEPB-CYBMUJFWSA-N -1 0 345.424 3.126 20 30 EGEDRM C=CCC[C@H](NC(=O)c1sc(Cc2ccccc2)nc1C)C(=O)[O-] ZINC000262891469 1296652658 /nfs/dbraw/zinc/65/26/58/1296652658.db2.gz LLCJCNIAFOUCNA-AWEZNQCLSA-N -1 0 344.436 3.192 20 30 EGEDRM C=CCC[C@H](NC(=O)CCCc1ncc(-c2ccccc2)o1)C(=O)[O-] ZINC000263043983 1296657589 /nfs/dbraw/zinc/65/75/89/1296657589.db2.gz ZXCWZZDNDCHBFE-HNNXBMFYSA-N -1 0 342.395 3.200 20 30 EGEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)C1=C(C(=O)[O-])CCCC1 ZINC000872838329 1297134545 /nfs/dbraw/zinc/13/45/45/1297134545.db2.gz BXZSLZQXCRYTEM-UHFFFAOYSA-N -1 0 328.368 3.239 20 30 EGEDRM C=C(C)[C@@H](NC(=O)C(C)(C)SCC(=O)[O-])c1ccc(F)c(F)c1 ZINC000872858853 1297144896 /nfs/dbraw/zinc/14/48/96/1297144896.db2.gz RQPJWELLKGNVBM-CQSZACIVSA-N -1 0 343.395 3.295 20 30 EGEDRM COc1cc(/C=C\C(=O)c2cccc(F)c2F)cc([N+](=O)[O-])c1[O-] ZINC000588386963 1298055103 /nfs/dbraw/zinc/05/51/03/1298055103.db2.gz YMXCTIVAJVPYEJ-WAYWQWQTSA-N -1 0 335.262 3.483 20 30 EGEDRM Cn1ncc(Cl)c1/C=C\C(=O)c1ccc(OCCCC(=O)[O-])cc1 ZINC000588534707 1298079657 /nfs/dbraw/zinc/07/96/57/1298079657.db2.gz BKXALWIPWXPOKZ-HJWRWDBZSA-N -1 0 348.786 3.213 20 30 EGEDRM Cc1cc(/C=C\C(=O)c2cc(C(=O)[O-])ccc2OC(C)C)n(C)n1 ZINC000606445564 1298096849 /nfs/dbraw/zinc/09/68/49/1298096849.db2.gz QWHMZFBLCMJAML-SREVYHEPSA-N -1 0 328.368 3.110 20 30 EGEDRM Cc1cc(C=Nn2c(=O)c3ccccc3[n-]c2=S)c(C)n1C1CC1 ZINC000725860048 1298377720 /nfs/dbraw/zinc/37/77/20/1298377720.db2.gz VWFWMDXPDGXSSL-UHFFFAOYSA-N -1 0 338.436 3.321 20 30 EGEDRM Cc1c(C(=O)Nc2cc(C#N)ccc2[O-])cnn1-c1ccc(C)cc1 ZINC000748410186 1299003615 /nfs/dbraw/zinc/00/36/15/1299003615.db2.gz DDWYQWGGXZGRKG-UHFFFAOYSA-N -1 0 332.363 3.319 20 30 EGEDRM COCCOc1ccccc1/C=C/C(=O)c1ccc(C(=O)[O-])s1 ZINC000751514776 1299559804 /nfs/dbraw/zinc/55/98/04/1299559804.db2.gz PCMNGYDDEBLSEQ-VOTSOKGWSA-N -1 0 332.377 3.368 20 30 EGEDRM COc1ccc(-c2nc(S[C@H]3CCCOC3)[n-]c(=O)c2C#N)cc1 ZINC000751558131 1299566608 /nfs/dbraw/zinc/56/66/08/1299566608.db2.gz NUNPEYNAUAUETD-ZDUSSCGKSA-N -1 0 343.408 3.001 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nnc(C3CCCCC3)s2)cc1 ZINC000752197000 1299709482 /nfs/dbraw/zinc/70/94/82/1299709482.db2.gz JVXYNUKWZYYGPI-UHFFFAOYSA-N -1 0 348.453 3.258 20 30 EGEDRM COc1ccc(C(=O)/C=C\c2cc(F)cc(F)c2)cc1CC(=O)[O-] ZINC000755581555 1300359969 /nfs/dbraw/zinc/35/99/69/1300359969.db2.gz OEBWPYOXNKOWMZ-RQOWECAXSA-N -1 0 332.302 3.497 20 30 EGEDRM CC[C@@H](C)CN=Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000755758690 1300391952 /nfs/dbraw/zinc/39/19/52/1300391952.db2.gz AJMVBWXDDNQDSP-LLVKDONJSA-N -1 0 338.458 3.388 20 30 EGEDRM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1cc(N(C)C)ccc1C#N ZINC000756360126 1300475797 /nfs/dbraw/zinc/47/57/97/1300475797.db2.gz RRGHJOZEZMDPNY-UHFFFAOYSA-N -1 0 349.843 3.387 20 30 EGEDRM C#CCOc1ccc(C(C)N=Nc2ccc(C(=O)[O-])cc2OC)cc1 ZINC000756901038 1300586143 /nfs/dbraw/zinc/58/61/43/1300586143.db2.gz GRNYCBGKNFHYSI-UHFFFAOYSA-N -1 0 338.363 3.242 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1NN=Cc1c(C)nc2sc(C)cn12 ZINC000756906060 1300587122 /nfs/dbraw/zinc/58/71/22/1300587122.db2.gz RYDBRFVMNMQUAK-UHFFFAOYSA-N -1 0 344.396 3.165 20 30 EGEDRM CC(=NNc1ccc(C(F)(F)F)cn1)c1cc(C(=O)[O-])ccc1O ZINC000757451616 1300671498 /nfs/dbraw/zinc/67/14/98/1300671498.db2.gz VSFHNEOMDQVJMN-UHFFFAOYSA-N -1 0 339.273 3.340 20 30 EGEDRM COc1ccc(O)c(C(=O)/C=C/c2cccc(OCCC(=O)[O-])c2)c1 ZINC000757467878 1300673236 /nfs/dbraw/zinc/67/32/36/1300673236.db2.gz MPURHEWOZHIKGH-FNORWQNLSA-N -1 0 342.347 3.150 20 30 EGEDRM O=C(/C=C/c1ccc(-n2cncn2)c(F)c1)c1cc(F)cc(F)c1[O-] ZINC000757474439 1300675056 /nfs/dbraw/zinc/67/50/56/1300675056.db2.gz TVCSWOYOTQVYPG-DUXPYHPUSA-N -1 0 345.280 3.286 20 30 EGEDRM O=C(/C=C\c1cn(-c2ccccc2)nn1)c1cc(F)cc(F)c1[O-] ZINC000757473802 1300675094 /nfs/dbraw/zinc/67/50/94/1300675094.db2.gz PRHIMQBWFXKWMB-SREVYHEPSA-N -1 0 327.290 3.147 20 30 EGEDRM Cc1cc(/C=C\C(=O)c2cc(F)cc(F)c2[O-])ccc1-n1cncn1 ZINC000757475450 1300675694 /nfs/dbraw/zinc/67/56/94/1300675694.db2.gz KKYBATUHQLGBAV-HYXAFXHYSA-N -1 0 341.317 3.456 20 30 EGEDRM COC(=O)[C@@H](C)Oc1ccc(/C=C/C(=O)c2cc(F)ccc2[O-])cc1 ZINC000758432442 1300881649 /nfs/dbraw/zinc/88/16/49/1300881649.db2.gz AYWXFDKSXKTDSL-BIPYJSMBSA-N -1 0 344.338 3.368 20 30 EGEDRM C#CCCCCNC(=O)c1nn(-c2cccc(C(C)C)c2)cc1[O-] ZINC000759094527 1301012911 /nfs/dbraw/zinc/01/29/11/1301012911.db2.gz ROKXKXSPSGWURC-UHFFFAOYSA-N -1 0 325.412 3.235 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2ccc(Cl)c(C)c2)n1 ZINC000759390763 1301079242 /nfs/dbraw/zinc/07/92/42/1301079242.db2.gz IBDHQZRELLXRKM-LBPRGKRZSA-N -1 0 348.811 3.447 20 30 EGEDRM CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C#N)ccc1[O-] ZINC000759713098 1301147125 /nfs/dbraw/zinc/14/71/25/1301147125.db2.gz HYOQLTZBTFWKOR-AWEZNQCLSA-N -1 0 347.415 3.142 20 30 EGEDRM CCC[C@](C)(NC(=O)OC(C)(C)C)C(=O)Nc1cc(C#N)ccc1[O-] ZINC000759713610 1301147901 /nfs/dbraw/zinc/14/79/01/1301147901.db2.gz NXGNCJULAQBOOI-SFHVURJKSA-N -1 0 347.415 3.286 20 30 EGEDRM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]c1cc(C#N)ccc1O ZINC000760362543 1301261248 /nfs/dbraw/zinc/26/12/48/1301261248.db2.gz OBLLFQJAHJACKQ-UHFFFAOYSA-N -1 0 346.339 3.258 20 30 EGEDRM CC[C@@H](/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-])C(=O)OC(C)(C)C ZINC000763098008 1301822605 /nfs/dbraw/zinc/82/26/05/1301822605.db2.gz STFQVJUCMUPQRJ-XZDJTBRNSA-N -1 0 342.779 3.493 20 30 EGEDRM COc1ccc2oc(C=Nn3c(=S)[n-]nc3C(F)(F)F)cc2c1 ZINC000763344140 1301881269 /nfs/dbraw/zinc/88/12/69/1301881269.db2.gz AGDBSVISWSNYKO-UHFFFAOYSA-N -1 0 342.302 3.223 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2cc(C)cc(Cl)c2)n1 ZINC000764071334 1302009151 /nfs/dbraw/zinc/00/91/51/1302009151.db2.gz HNRRVFJBFGOCHH-ZDUSSCGKSA-N -1 0 348.811 3.447 20 30 EGEDRM COc1ccccc1NC(=S)NN=C(C)c1cccc(C(=O)[O-])c1 ZINC000764658605 1302112531 /nfs/dbraw/zinc/11/25/31/1302112531.db2.gz JPFVFTAABUNBKT-UHFFFAOYSA-N -1 0 343.408 3.104 20 30 EGEDRM Cc1c(C(=O)[O-])oc2c1C(N=Nc1ncnc3ccsc31)CCC2 ZINC000764841346 1302147599 /nfs/dbraw/zinc/14/75/99/1302147599.db2.gz RCKOTESAYMJVAI-UHFFFAOYSA-N -1 0 342.380 3.443 20 30 EGEDRM COc1ccc(C(=O)/C=C\c2ccc(C#N)c(C)c2)cc1CC(=O)[O-] ZINC000766492221 1302462735 /nfs/dbraw/zinc/46/27/35/1302462735.db2.gz SHONHORHKWFIFH-DAXSKMNVSA-N -1 0 335.359 3.399 20 30 EGEDRM COc1ccc2c(c1)[C@@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])CCO2 ZINC000767339113 1302643218 /nfs/dbraw/zinc/64/32/18/1302643218.db2.gz SZPMTYFVINVGND-PACYTGELSA-N -1 0 328.324 3.252 20 30 EGEDRM Cc1c(C(=O)[O-])oc2c1C(=NNc1cc(C#N)cc(Cl)n1)CCC2 ZINC000768381451 1302893065 /nfs/dbraw/zinc/89/30/65/1302893065.db2.gz GZPOERPUVOOHCW-UHFFFAOYSA-N -1 0 344.758 3.359 20 30 EGEDRM Cc1nnc(N=NCCCCc2cccc(C(F)(F)F)c2)[n-]c1=O ZINC000769775086 1303172928 /nfs/dbraw/zinc/17/29/28/1303172928.db2.gz AXCOHMCLGCAOMT-UHFFFAOYSA-N -1 0 339.321 3.325 20 30 EGEDRM CC(C)c1ccc(SCC(=O)C(C#N)=C([O-])c2nccn2C)cc1 ZINC000770872120 1303324467 /nfs/dbraw/zinc/32/44/67/1303324467.db2.gz SBVGMIZELNMMFR-OAHLLOKOSA-N -1 0 341.436 3.227 20 30 EGEDRM O=C([O-])COc1cccc(C(=O)/C=C\c2ccn(-c3ccccc3)n2)c1 ZINC000773153200 1303634322 /nfs/dbraw/zinc/63/43/22/1303634322.db2.gz BAJXXYSFGXDZTP-KTKRTIGZSA-N -1 0 348.358 3.232 20 30 EGEDRM C[C@@H](CCC(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1)c1ccccc1 ZINC000779321344 1304556215 /nfs/dbraw/zinc/55/62/15/1304556215.db2.gz MFNLDXNGOBWKNZ-HNNXBMFYSA-N -1 0 348.468 3.100 20 30 EGEDRM COc1ccc(C(=O)/C=C\c2ccc(O)c(C(=O)[O-])c2)cc1OC ZINC000779357917 1304560765 /nfs/dbraw/zinc/56/07/65/1304560765.db2.gz LFPIWDYLBUEVTN-UTCJRWHESA-N -1 0 328.320 3.004 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cnn(C2CCCCC2)c1C ZINC000781449910 1304829776 /nfs/dbraw/zinc/82/97/76/1304829776.db2.gz XJSOKECNXIEXLF-MRXNPFEDSA-N -1 0 344.459 3.326 20 30 EGEDRM COC(=O)COc1ccc(/C=C/C(=O)c2ccc(C)cc2[O-])cc1 ZINC000782183798 1304927303 /nfs/dbraw/zinc/92/73/03/1304927303.db2.gz DOFVRUDZFKYHSL-UXBLZVDNSA-N -1 0 326.348 3.149 20 30 EGEDRM Cn1nc(Br)cc1/C=C/C(=O)c1cc(F)cc(F)c1[O-] ZINC000782348894 1304959737 /nfs/dbraw/zinc/95/97/37/1304959737.db2.gz VRKPSVTTZYGYQA-NSCUHMNNSA-N -1 0 343.127 3.063 20 30 EGEDRM N#CC(C(=O)NC1CC1)=C([O-])c1sc2cccc(F)c2c1Cl ZINC000892497007 1305407018 /nfs/dbraw/zinc/40/70/18/1305407018.db2.gz UXFQKGONHWGABA-QMMMGPOBSA-N -1 0 336.775 3.295 20 30 EGEDRM Cc1cnc2c(C([O-])=C(C#N)c3nc(C(C)C)cs3)cnn2c1 ZINC000892800119 1305557064 /nfs/dbraw/zinc/55/70/64/1305557064.db2.gz ABVXHUADXIEWRZ-NSHDSACASA-N -1 0 325.397 3.108 20 30 EGEDRM C#CC[C@@H](NC(=O)c1nn(-c2cccc(F)c2)cc1[O-])c1ccccc1 ZINC000786464318 1305580555 /nfs/dbraw/zinc/58/05/55/1305580555.db2.gz ZJHMXMCEBPKBTO-QGZVFWFLSA-N -1 0 349.365 3.211 20 30 EGEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2ccc3ncccc3c2)c1 ZINC000786537904 1305592918 /nfs/dbraw/zinc/59/29/18/1305592918.db2.gz BRAGEPLAJVSCLK-SFHVURJKSA-N -1 0 343.386 3.182 20 30 EGEDRM CC(C)n1cccc1C([O-])=C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786536741 1305593068 /nfs/dbraw/zinc/59/30/68/1305593068.db2.gz PBIYJLPHLOSDHZ-OAHLLOKOSA-N -1 0 343.814 3.361 20 30 EGEDRM CCc1ccc(C([O-])=C(C#N)C(=O)NCc2ccc(F)cc2F)s1 ZINC000786562587 1305599829 /nfs/dbraw/zinc/59/98/29/1305599829.db2.gz YLWSQKJHXZXSMK-ZDUSSCGKSA-N -1 0 348.374 3.228 20 30 EGEDRM Cc1ccc(C([O-])=C(C#N)C(=O)NCc2ccc(F)c(F)c2)c(C)c1 ZINC000786573377 1305602674 /nfs/dbraw/zinc/60/26/74/1305602674.db2.gz YJZAUICNLGSSKL-HNNXBMFYSA-N -1 0 342.345 3.221 20 30 EGEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1scnc1Cl)c1ccccc1 ZINC000787046825 1305683438 /nfs/dbraw/zinc/68/34/38/1305683438.db2.gz SEEGYIJOCVSMIX-RYUDHWBXSA-N -1 0 347.827 3.386 20 30 EGEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1cc(C)n(C)c1C)c1ccccc1 ZINC000787047849 1305684952 /nfs/dbraw/zinc/68/49/52/1305684952.db2.gz YSYAFZFRTJQJKB-MSOLQXFVSA-N -1 0 337.423 3.232 20 30 EGEDRM CC1(C)C(=NNc2cnnc([O-])c2Cl)C[C@H]1Oc1ccccc1 ZINC000788976517 1306056007 /nfs/dbraw/zinc/05/60/07/1306056007.db2.gz ZYBIPVDBGGWXQE-CYBMUJFWSA-N -1 0 332.791 3.481 20 30 EGEDRM CN(C)C(=O)Nc1ccc(C/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000794848218 1309608822 /nfs/dbraw/zinc/60/88/22/1309608822.db2.gz NCNJYGDPSQWNIB-WOJGMQOQSA-N -1 0 342.355 3.013 20 30 EGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)C[C@H]1CCC(=O)[C@H]1C ZINC000796628635 1310049324 /nfs/dbraw/zinc/04/93/24/1310049324.db2.gz LFPITWOGPIDSFJ-NJZAAPMLSA-N -1 0 336.391 3.373 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2cnc(Cl)cc2C#N)sc1Cl ZINC000798210640 1310318428 /nfs/dbraw/zinc/31/84/28/1310318428.db2.gz CTXATAPUTOVUKJ-UHFFFAOYSA-N -1 0 348.236 3.431 20 30 EGEDRM CCCCCCCS(=O)(=O)[N-]c1nnc(C(F)(F)F)s1 ZINC000799639074 1310592980 /nfs/dbraw/zinc/59/29/80/1310592980.db2.gz CLOFAVLQPFVWAJ-UHFFFAOYSA-N -1 0 331.385 3.269 20 30 EGEDRM CCCCCCCS(=O)(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC000799750252 1310611858 /nfs/dbraw/zinc/61/18/58/1310611858.db2.gz BIAJDRGOWYFGHW-UHFFFAOYSA-N -1 0 325.430 3.048 20 30 EGEDRM O=[N+]([O-])c1cc(Cl)cc(C=NNc2ncccc2Cl)c1[O-] ZINC000917548683 1319834867 /nfs/dbraw/zinc/83/48/67/1319834867.db2.gz DWAVGCPVRIQFBY-UHFFFAOYSA-N -1 0 327.127 3.448 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)c2csnc2-c2ccccc2)cc1 ZINC000821118691 1320000206 /nfs/dbraw/zinc/00/02/06/1320000206.db2.gz FYBACMMUYBHLCZ-UHFFFAOYSA-N -1 0 341.417 3.483 20 30 EGEDRM C=CCC(CC=C)C(=O)[N-]S(=O)(=O)Cc1c(F)cccc1Cl ZINC000839028727 1320852998 /nfs/dbraw/zinc/85/29/98/1320852998.db2.gz ZTWIJLDTFNHIIO-UHFFFAOYSA-N -1 0 345.823 3.194 20 30 EGEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N\CCOC2CCSCC2)c1[O-] ZINC000899233644 1316971811 /nfs/dbraw/zinc/97/18/11/1316971811.db2.gz LOOMJXGCAFVKJF-SXGWCWSVSA-N -1 0 344.820 3.285 20 30 EGEDRM C[C@@]1(C(=O)[O-])[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000899762716 1317148582 /nfs/dbraw/zinc/14/85/82/1317148582.db2.gz WAVFNDBRHYUAMB-CKDBWAAPSA-N -1 0 330.771 3.063 20 30 EGEDRM C#C[C@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccc(Cl)cc1F ZINC000804422807 1317233972 /nfs/dbraw/zinc/23/39/72/1317233972.db2.gz XZDVIZRNPXVISV-ZDUSSCGKSA-N -1 0 348.717 3.197 20 30 EGEDRM C#CC[C@H](NC(=O)Nc1ccc(SC(C)(C)C)cc1C)C(=O)[O-] ZINC000900332647 1317275010 /nfs/dbraw/zinc/27/50/10/1317275010.db2.gz DDUZHVFNWWPDST-AWEZNQCLSA-N -1 0 334.441 3.484 20 30 EGEDRM COCCOc1ccc(/C=C2/CCc3occ(C(=O)[O-])c3C2=O)cc1 ZINC000901515674 1317438004 /nfs/dbraw/zinc/43/80/04/1317438004.db2.gz OVWVPOLOMHRNML-RAXLEYEMSA-N -1 0 342.347 3.216 20 30 EGEDRM N#CCCCCCC(=O)[N-]S(=O)(=O)c1cccc2ccccc21 ZINC000805925655 1317440288 /nfs/dbraw/zinc/44/02/88/1317440288.db2.gz PFPSZPQIODTNGF-UHFFFAOYSA-N -1 0 330.409 3.119 20 30 EGEDRM C=CCN(CC(=O)[O-])Cc1c(C)nn(-c2ccc(Cl)cc2)c1C ZINC000901586565 1317448871 /nfs/dbraw/zinc/44/88/71/1317448871.db2.gz NYKGDFPXBUBRJQ-UHFFFAOYSA-N -1 0 333.819 3.215 20 30 EGEDRM C=C(C)COc1cccc([N-]S(=O)(=O)c2cc(C3CC3)nn2C)c1 ZINC000901881455 1317492790 /nfs/dbraw/zinc/49/27/90/1317492790.db2.gz AADXCTBMCLRKLO-UHFFFAOYSA-N -1 0 347.440 3.053 20 30 EGEDRM CC(C)(C)c1ncc(/C=C/C(=O)c2ccc([O-])c([N+](=O)[O-])c2)cn1 ZINC000806567507 1317502712 /nfs/dbraw/zinc/50/27/12/1317502712.db2.gz XPLWGCALBSXDHH-GQCTYLIASA-N -1 0 327.340 3.284 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)CCCCCc2cccs2)CC1 ZINC000810982811 1318086301 /nfs/dbraw/zinc/08/63/01/1318086301.db2.gz YFDUIIQPHJZLDR-UHFFFAOYSA-N -1 0 341.498 3.406 20 30 EGEDRM C[C@H](Oc1cccc(C(=O)/C=C/c2cccc(F)c2C#N)c1)C(=O)[O-] ZINC000811689547 1318226668 /nfs/dbraw/zinc/22/66/68/1318226668.db2.gz GOJFVHDXCVOQLH-BCPZQOPPSA-N -1 0 339.322 3.445 20 30 EGEDRM O=C([O-])c1cccc(/C=C\C(=O)c2ccc(Br)nc2)c1 ZINC000811698340 1318231183 /nfs/dbraw/zinc/23/11/83/1318231183.db2.gz ZVUXIXWMFZZYMT-XQRVVYSFSA-N -1 0 332.153 3.438 20 30 EGEDRM CCOC(=O)c1ccc(NN=C(C)c2ccc(C(=O)[O-])o2)cc1C ZINC000812228150 1318347476 /nfs/dbraw/zinc/34/74/76/1318347476.db2.gz FIDZUOOVXGKHIF-UHFFFAOYSA-N -1 0 330.340 3.299 20 30 EGEDRM N#Cc1ccc(O)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)c1 ZINC000812270282 1318354801 /nfs/dbraw/zinc/35/48/01/1318354801.db2.gz BGUNKXAMJVUEIH-UHFFFAOYSA-N -1 0 348.327 3.145 20 30 EGEDRM C#CCC1(C(=O)NC[C@H](C(=O)[O-])c2ccc(F)cc2)CCCCC1 ZINC000909702290 1318517436 /nfs/dbraw/zinc/51/74/36/1318517436.db2.gz HCDBNRZUWKRSJH-INIZCTEOSA-N -1 0 331.387 3.084 20 30 EGEDRM C=CCC[C@@H](NC(=O)c1c(CC)onc1-c1ccccc1)C(=O)[O-] ZINC000909715159 1318519077 /nfs/dbraw/zinc/51/90/77/1318519077.db2.gz JWGVCJDIXRXNCX-CYBMUJFWSA-N -1 0 328.368 3.053 20 30 EGEDRM N#CCc1ccc(C(=O)N2CCC[C@]2(Cc2ccccc2)C(=O)[O-])cc1 ZINC000910102521 1318567022 /nfs/dbraw/zinc/56/70/22/1318567022.db2.gz OGQCGMYNYGMFAJ-NRFANRHFSA-N -1 0 348.402 3.055 20 30 EGEDRM CCCCCCCC(=O)N1CCCN(c2ccc(C(=O)[O-])cn2)CC1 ZINC000911306141 1318735294 /nfs/dbraw/zinc/73/52/94/1318735294.db2.gz QNEHUMHDXZSFAE-UHFFFAOYSA-N -1 0 347.459 3.179 20 30 EGEDRM CC(C)(C)OC(=O)N1CC2(CC(N=Nc3ccc(C(=O)[O-])cc3)C2)C1 ZINC000814680730 1318799565 /nfs/dbraw/zinc/79/95/65/1318799565.db2.gz GDZWLVCSYKQBFT-UHFFFAOYSA-N -1 0 345.399 3.184 20 30 EGEDRM CCCCCNC(=S)NN=C1CC[C@H](C(=O)[O-])C(C)(C)[C@@H]1C ZINC000814763466 1318811577 /nfs/dbraw/zinc/81/15/77/1318811577.db2.gz DPRCQKGGDQBZKI-VXGBXAGGSA-N -1 0 327.494 3.154 20 30 EGEDRM CC(=NNc1nc2cc(F)c(F)cc2[nH]1)c1csc(C(=O)[O-])c1 ZINC000814796329 1318819491 /nfs/dbraw/zinc/81/94/91/1318819491.db2.gz UKFJHLVQGAXPED-UHFFFAOYSA-N -1 0 336.323 3.437 20 30 EGEDRM CC(N=Nc1nnc(-c2ccccc2)n1C)c1cc(C(=O)[O-])cs1 ZINC000814807281 1318821471 /nfs/dbraw/zinc/82/14/71/1318821471.db2.gz OCCWNUBZBVGVCA-UHFFFAOYSA-N -1 0 341.396 3.078 20 30 EGEDRM COc1cc([N+](=O)[O-])ccc1NN=C(C)c1csc(C(=O)[O-])c1 ZINC000814821773 1318825775 /nfs/dbraw/zinc/82/57/75/1318825775.db2.gz JSUSHSZEPYUTDQ-UHFFFAOYSA-N -1 0 335.341 3.199 20 30 EGEDRM CC(C)c1ccccc1NC(=S)NN=Cc1c[nH]c(C(=O)[O-])c1 ZINC000814829858 1318827055 /nfs/dbraw/zinc/82/70/55/1318827055.db2.gz MPSHFVHAYYULOZ-UHFFFAOYSA-N -1 0 330.413 3.157 20 30 EGEDRM O=C([O-])c1cccc(CN=Nc2ncnc3ccsc32)c1Cl ZINC000814880231 1318837429 /nfs/dbraw/zinc/83/74/29/1318837429.db2.gz WLHPVORJHLSTLQ-UHFFFAOYSA-N -1 0 332.772 3.489 20 30 EGEDRM COc1ccc(NN=Cc2cc(C(=O)[O-])c(C)cc2C)c([N+](=O)[O-])c1 ZINC000814881234 1318838005 /nfs/dbraw/zinc/83/80/05/1318838005.db2.gz UDTYOZSAGJHNJK-UHFFFAOYSA-N -1 0 343.339 3.364 20 30 EGEDRM O=C([O-])c1cccc(C=NN2CCc3ccccc3C2=O)c1Cl ZINC000814892947 1318841130 /nfs/dbraw/zinc/84/11/30/1318841130.db2.gz WPZJLYDTQJGUET-UHFFFAOYSA-N -1 0 328.755 3.071 20 30 EGEDRM COC(=O)c1ccccc1N=NC(C)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C ZINC000814893822 1318841488 /nfs/dbraw/zinc/84/14/88/1318841488.db2.gz CPLHFWPUQFPQAB-OCCSQVGLSA-N -1 0 332.400 3.398 20 30 EGEDRM C[C@@H]1CC(N=Nc2ccnc(Br)c2)CC[C@H]1C(=O)[O-] ZINC000814904505 1318844038 /nfs/dbraw/zinc/84/40/38/1318844038.db2.gz MBHNZPMLUDNHFM-LDYMZIIASA-N -1 0 326.194 3.133 20 30 EGEDRM CC[C@@H](NN=C(Cc1ccc(F)cc1Cl)c1ccoc1)C(=O)[O-] ZINC000814937528 1318854268 /nfs/dbraw/zinc/85/42/68/1318854268.db2.gz JQKVJMJJRVKGDX-CQSZACIVSA-N -1 0 338.766 3.472 20 30 EGEDRM CC[C@H](NN=C1CC(c2ccc(Br)cc2)C1)C(=O)[O-] ZINC000814937920 1318854313 /nfs/dbraw/zinc/85/43/13/1318854313.db2.gz RROHAGOMUGYIPO-HQVZTVAUSA-N -1 0 325.206 3.135 20 30 EGEDRM O=C([O-])COc1ccccc1C=NNc1ccc(Br)cc1 ZINC000912822160 1318942272 /nfs/dbraw/zinc/94/22/72/1318942272.db2.gz XJPAEUZHUWSOCX-UHFFFAOYSA-N -1 0 349.184 3.359 20 30 EGEDRM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1ncoc1C1CC1 ZINC000815906870 1319072061 /nfs/dbraw/zinc/07/20/61/1319072061.db2.gz LHTCHFCMSGSGOD-LBPRGKRZSA-N -1 0 329.743 3.167 20 30 EGEDRM CCc1nc(C)c(C([O-])=C(C#N)C(=O)N[C@@H](CC)c2ccccc2)o1 ZINC000816039533 1319092082 /nfs/dbraw/zinc/09/20/82/1319092082.db2.gz YPRLSFQHNHTGHO-CABCVRRESA-N -1 0 339.395 3.135 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1N=NC1CCc2cccnc2CC1 ZINC000817325435 1319326323 /nfs/dbraw/zinc/32/63/23/1319326323.db2.gz BYHYQNYQAPSPTG-UHFFFAOYSA-N -1 0 325.368 3.135 20 30 EGEDRM CCOc1cc(/C=C/C(=O)c2ccc(CC(=O)[O-])cc2)ccc1O ZINC000915987919 1319579404 /nfs/dbraw/zinc/57/94/04/1319579404.db2.gz MXUJQSALMFMWEX-WEVVVXLNSA-N -1 0 326.348 3.314 20 30 EGEDRM Cc1cc(C=NNc2nnc(C)c(=O)[n-]2)c(C)n1-c1ccc(C)cc1 ZINC000916282637 1319631425 /nfs/dbraw/zinc/63/14/25/1319631425.db2.gz MDFSLVLIGJGRCX-UHFFFAOYSA-N -1 0 336.399 3.048 20 30 EGEDRM Cc1[nH]c2ccccc2c1C=Nn1c(=S)[n-]nc1C(F)(F)F ZINC000916592186 1319680245 /nfs/dbraw/zinc/68/02/45/1319680245.db2.gz ADPDQMMRQNUPIB-UHFFFAOYSA-N -1 0 325.319 3.258 20 30 EGEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(C#Cc2ccccc2)cc1 ZINC000916871554 1319717242 /nfs/dbraw/zinc/71/72/42/1319717242.db2.gz PGBDIXLGRQICTJ-FQEVSTJZSA-N -1 0 342.398 3.031 20 30 EGEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1ccc2c(c1)-c1ccccc1C2 ZINC000916871865 1319717552 /nfs/dbraw/zinc/71/75/52/1319717552.db2.gz VBSOXBOVBSDNQQ-IBGZPJMESA-N -1 0 330.387 3.203 20 30 EGEDRM C=CCNC(=O)C(C#N)=C([O-])c1csc(-c2cccc(Cl)c2)n1 ZINC000916920361 1319724943 /nfs/dbraw/zinc/72/49/43/1319724943.db2.gz JBERPAVRADEYDH-LBPRGKRZSA-N -1 0 345.811 3.088 20 30 EGEDRM C=CCNC(=O)C(C#N)=C([O-])c1cc(C)n(-c2cccc(C)c2)c1C ZINC000916917968 1319725106 /nfs/dbraw/zinc/72/51/06/1319725106.db2.gz IZUOCRALZGPXFS-GOSISDBHSA-N -1 0 335.407 3.027 20 30 EGEDRM C=CCNC(=O)C(C#N)=C([O-])c1cc(C)n([C@@H](C)c2ccccc2)c1C ZINC000916921454 1319726611 /nfs/dbraw/zinc/72/66/11/1319726611.db2.gz SWUHHWCADLBWOJ-HNAYVOBHSA-N -1 0 349.434 3.339 20 30 EGEDRM Cc1cc(C=NNc2nnc(C)c(=O)[n-]2)c(C)n1C1CCCCC1 ZINC000917026105 1319742144 /nfs/dbraw/zinc/74/21/44/1319742144.db2.gz LAQMBBWRFXXTTP-UHFFFAOYSA-N -1 0 328.420 3.255 20 30 EGEDRM N#Cc1ccccc1C=CC(=O)Nc1c(=O)[nH][n-]c1-c1ccccc1 ZINC000820465233 1319894405 /nfs/dbraw/zinc/89/44/05/1319894405.db2.gz JDQQFVDGVUOSQT-KHPPLWFESA-N -1 0 330.347 3.306 20 30 EGEDRM C[C@@]1(C#N)CCCN(C(=O)c2ccc(-c3ccc(C=O)o3)cc2[O-])C1 ZINC000821868245 1320038478 /nfs/dbraw/zinc/03/84/78/1320038478.db2.gz QEFGLIXOQHWVLZ-IBGZPJMESA-N -1 0 338.363 3.231 20 30 EGEDRM O=C1[C@H](/N=C\c2cc(Cl)cc(Cl)c2[O-])C[C@H]2CCCCN12 ZINC000840708490 1321132150 /nfs/dbraw/zinc/13/21/50/1321132150.db2.gz BUNIVFQUXYEHEW-ULURQJIQSA-N -1 0 327.211 3.271 20 30 EGEDRM C#CCCCS(=O)(=O)[N-]c1nc2c(s1)CCc1ccccc1-2 ZINC000840946038 1321182417 /nfs/dbraw/zinc/18/24/17/1321182417.db2.gz GQWYNUHWSSYQRL-UHFFFAOYSA-N -1 0 332.450 3.064 20 30 EGEDRM N#CC(=C([O-])C=CC1CCCC1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000842682449 1321418067 /nfs/dbraw/zinc/41/80/67/1321418067.db2.gz CUGSIIJQYDGLKY-NKSUMMKUSA-N -1 0 348.410 3.120 20 30 EGEDRM CCN(C)c1ccc(/C=C2/C[C@H](C(=O)[O-])c3ccccc3C2=O)cn1 ZINC000843268936 1321496199 /nfs/dbraw/zinc/49/61/99/1321496199.db2.gz OMBWMGJPXFAUKE-QXSWTLKVSA-N -1 0 336.391 3.376 20 30 EGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)C[C@H](C)n1ccnc1 ZINC000845437420 1321707403 /nfs/dbraw/zinc/70/74/03/1321707403.db2.gz ILKMVMPJJRRZRJ-SWLSCSKDSA-N -1 0 334.379 3.216 20 30 EGEDRM C=C[C@@H](C)O[N-]C(=O)CSc1nncn1-c1ccc(C(C)C)cc1 ZINC000846545304 1321792532 /nfs/dbraw/zinc/79/25/32/1321792532.db2.gz VPVQIUHIXLTOQM-CYBMUJFWSA-N -1 0 346.456 3.105 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cccc2c1OC(C)(C)C2 ZINC000847622790 1321884884 /nfs/dbraw/zinc/88/48/84/1321884884.db2.gz UBFCMWRFAMRDIP-MRXNPFEDSA-N -1 0 342.439 3.419 20 30 EGEDRM Cc1c(C(=O)/C=C/c2ccc(C(=O)[O-])cc2)nnn1-c1ccc(C)cc1 ZINC000918752785 1321991021 /nfs/dbraw/zinc/99/10/21/1321991021.db2.gz BEZLVECFEDUNQH-KPKJPENVSA-N -1 0 347.374 3.478 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2cccc(C3CC3)c2)n1 ZINC000848840053 1322021862 /nfs/dbraw/zinc/02/18/62/1322021862.db2.gz LZHLZFPUXVBQOG-HNNXBMFYSA-N -1 0 340.404 3.362 20 30 EGEDRM N#C[C@@]1(C(=O)Nc2ccc3c(ccn3CC(=O)[O-])c2)CC12CCCC2 ZINC000923056706 1322684518 /nfs/dbraw/zinc/68/45/18/1322684518.db2.gz LPRIMPZOPCDCCE-LJQANCHMSA-N -1 0 337.379 3.138 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)Cc2cc(C)cc(C)c2)n1 ZINC000853955630 1325191830 /nfs/dbraw/zinc/19/18/30/1325191830.db2.gz GTECTINOQVKUML-HNNXBMFYSA-N -1 0 342.420 3.031 20 30 EGEDRM C=CCC[C@@H](NC(=O)N[C@H](C)c1cccc(OC(F)F)c1)C(=O)[O-] ZINC000929031668 1328492405 /nfs/dbraw/zinc/49/24/05/1328492405.db2.gz UOKBIMOQYWVKIJ-ZWNOBZJWSA-N -1 0 342.342 3.068 20 30 EGEDRM C=CCC[C@H](NC(=O)N[C@H](C[C@H]1CCCO1)C(=O)[O-])c1ccccc1 ZINC000929044409 1328495362 /nfs/dbraw/zinc/49/53/62/1328495362.db2.gz MQXPQCCDBCYKRS-IXDOHACOSA-N -1 0 346.427 3.015 20 30 EGEDRM Cc1c(C(=O)/C=C\c2ccc(CC(=O)[O-])cc2)c(C#N)c2n1CCC2 ZINC000863184993 1329532590 /nfs/dbraw/zinc/53/25/90/1329532590.db2.gz SFFOXGCPKMLDHY-HJWRWDBZSA-N -1 0 334.375 3.138 20 30 EGEDRM Cc1cc(/C=C/C(=O)c2cc(C(=O)[O-])ccc2OC(C)C)nn1C ZINC000864086169 1329596982 /nfs/dbraw/zinc/59/69/82/1329596982.db2.gz CIXJIAYLQNEOPZ-VOTSOKGWSA-N -1 0 328.368 3.110 20 30 EGEDRM C=C[C@H]1CCCCN1C(=O)c1cc(Br)cc(F)c1[O-] ZINC000867880105 1330225570 /nfs/dbraw/zinc/22/55/70/1330225570.db2.gz KOLFZZWKATYWRB-JTQLQIEISA-N -1 0 328.181 3.475 20 30 EGEDRM Cc1cc(C)n(-c2ccc(CNC(=O)CCC(=O)C3=CC=C[CH]3)cc2)n1 ZINC001184244706 1387419391 /nfs/dbraw/zinc/41/93/91/1387419391.db2.gz TXUBJXCNJWLTDD-UHFFFAOYSA-N -1 0 348.426 3.155 20 30 EGEDRM O=C(CCC(=O)C1=CC=C[CH]1)NCC1(Cc2ccccc2F)CC1 ZINC001184247157 1387419746 /nfs/dbraw/zinc/41/97/46/1387419746.db2.gz HTTQLHAGQPCSRP-UHFFFAOYSA-N -1 0 326.391 3.314 20 30 EGEDRM N#Cc1ccccc1[N-]S(=O)(=O)c1ccc(-c2cnco2)cc1 ZINC001185221504 1387655999 /nfs/dbraw/zinc/65/59/99/1387655999.db2.gz JVVCRYIFBSEDLI-UHFFFAOYSA-N -1 0 325.349 3.014 20 30 EGEDRM C=CC[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])ccc1C)c1ccccc1 ZINC001185938151 1387831087 /nfs/dbraw/zinc/83/10/87/1387831087.db2.gz QYIFZALLMAFZCU-MRXNPFEDSA-N -1 0 345.420 3.289 20 30 EGEDRM Cc1ccc(C)c([N-]S(=O)(=O)Cc2ccc(F)cc2F)c1C#N ZINC001189831964 1367117064 /nfs/dbraw/zinc/11/70/64/1367117064.db2.gz WWTLNBZXPYNJTP-UHFFFAOYSA-N -1 0 336.363 3.395 20 30 EGEDRM COc1cc([O-])c(C(=O)Nc2ccc(C#N)c3ncccc23)c(OC)c1 ZINC001190146575 1367184682 /nfs/dbraw/zinc/18/46/82/1367184682.db2.gz ZCEZAOQHLDYVPS-UHFFFAOYSA-N -1 0 349.346 3.082 20 30 EGEDRM CC(=O)c1ccc(C)c([N-]S(=O)(=O)c2cc(C#N)ccc2F)c1 ZINC001190651047 1367316609 /nfs/dbraw/zinc/31/66/09/1367316609.db2.gz VEAVNVAOBIXOSC-UHFFFAOYSA-N -1 0 332.356 3.009 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(F)c3cccnc23)c1 ZINC001190650371 1367316775 /nfs/dbraw/zinc/31/67/75/1367316775.db2.gz DYAIVKOJGCDXKU-UHFFFAOYSA-N -1 0 345.330 3.185 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]c2c(C#N)cccc2C(F)(F)F)CC1 ZINC001190813446 1367356298 /nfs/dbraw/zinc/35/62/98/1367356298.db2.gz IYEKSTCRMNMSFQ-UHFFFAOYSA-N -1 0 330.331 3.427 20 30 EGEDRM CCCCc1ccc(S(=O)(=O)[N-]c2ncc(C)cc2C#N)cc1 ZINC001191233796 1367454289 /nfs/dbraw/zinc/45/42/89/1367454289.db2.gz RTALTAQXUBPIAC-UHFFFAOYSA-N -1 0 329.425 3.405 20 30 EGEDRM N#Cc1cc(NC(=O)c2ccccc2N2CCCC2)c([O-])cc1F ZINC001191242221 1367456639 /nfs/dbraw/zinc/45/66/39/1367456639.db2.gz MZAVXBPDENYBFY-UHFFFAOYSA-N -1 0 325.343 3.255 20 30 EGEDRM N#Cc1cc(Br)ccc1[N-]S(=O)(=O)CC1CCCC1 ZINC001191523858 1367521461 /nfs/dbraw/zinc/52/14/61/1367521461.db2.gz URDOSLFOGORNGO-UHFFFAOYSA-N -1 0 343.246 3.253 20 30 EGEDRM N#Cc1c(Br)cccc1[N-]S(=O)(=O)CC1CCCC1 ZINC001191526967 1367522077 /nfs/dbraw/zinc/52/20/77/1367522077.db2.gz PLENWHIWCYHMNK-UHFFFAOYSA-N -1 0 343.246 3.253 20 30 EGEDRM N#Cc1ccc(Cl)c([N-]S(=O)(=O)C(Cl)(Cl)Cl)c1 ZINC001192034591 1367670606 /nfs/dbraw/zinc/67/06/06/1367670606.db2.gz JAXVIVFGOHNRIP-UHFFFAOYSA-N -1 0 334.011 3.281 20 30 EGEDRM C=CC[C@@H](NC(=O)Nc1ccc(-c2csc(C)n2)cc1)C(=O)[O-] ZINC001325063809 1387893822 /nfs/dbraw/zinc/89/38/22/1387893822.db2.gz JCYPTIIUAGLCIF-CYBMUJFWSA-N -1 0 331.397 3.269 20 30 EGEDRM N#Cc1c(F)ccc(NC(=O)c2cc(Cl)nc(Cl)c2[O-])c1F ZINC001193089105 1367941948 /nfs/dbraw/zinc/94/19/48/1367941948.db2.gz GDAVOLBTIONUJH-UHFFFAOYSA-N -1 0 344.104 3.496 20 30 EGEDRM C[C@H](C#N)S(=O)(=O)[N-]c1cc(F)ccc1OC1CCCCC1 ZINC001193157823 1367956405 /nfs/dbraw/zinc/95/64/05/1367956405.db2.gz IRPAEBUHIHFYCF-LLVKDONJSA-N -1 0 326.393 3.191 20 30 EGEDRM N#Cc1cc(C(=O)Nc2ccncc2Oc2ccccc2)ccc1[O-] ZINC001193495092 1368045422 /nfs/dbraw/zinc/04/54/22/1368045422.db2.gz WJMOCTCBUFDLHA-UHFFFAOYSA-N -1 0 331.331 3.125 20 30 EGEDRM CC(=O)Nc1ccc(NC(=O)c2cccc(C#N)c2[O-])cc1Cl ZINC001193652790 1368085820 /nfs/dbraw/zinc/08/58/20/1368085820.db2.gz OPAMEKITKLLQLE-UHFFFAOYSA-N -1 0 329.743 3.128 20 30 EGEDRM Cc1cccc(C#N)c1[N-]S(=O)(=O)c1ncccc1C(F)(F)F ZINC001194572787 1368289375 /nfs/dbraw/zinc/28/93/75/1368289375.db2.gz YQVAQTXHQADSQW-UHFFFAOYSA-N -1 0 341.314 3.081 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2cn3cc(C(F)(F)F)ccc3n2)c([O-])c1 ZINC001195740305 1368481264 /nfs/dbraw/zinc/48/12/64/1368481264.db2.gz CHWRMWYLCFVDJP-UHFFFAOYSA-N -1 0 346.268 3.183 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2cc(F)cc(Br)c2)c([O-])c1 ZINC001195751362 1368482307 /nfs/dbraw/zinc/48/23/07/1368482307.db2.gz TVBPHPKXBKPZSA-UHFFFAOYSA-N -1 0 335.132 3.418 20 30 EGEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1scnc1C1CC1 ZINC001196651573 1368656373 /nfs/dbraw/zinc/65/63/73/1368656373.db2.gz FJYQRXIOJPVKEX-UHFFFAOYSA-N -1 0 339.829 3.346 20 30 EGEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cnc2occc2c1 ZINC001196652071 1368656444 /nfs/dbraw/zinc/65/64/44/1368656444.db2.gz SBZFXGXBFWENRT-UHFFFAOYSA-N -1 0 333.756 3.154 20 30 EGEDRM COc1ccc(F)c(S(=O)(=O)[N-]c2ccc([C@@H](C)C#N)cc2)c1 ZINC001196760294 1368677421 /nfs/dbraw/zinc/67/74/21/1368677421.db2.gz FNKMIYKACLZVDK-NSHDSACASA-N -1 0 334.372 3.262 20 30 EGEDRM COc1ccc(NC(=S)Nc2ccc(C(=O)[O-])cc2)c(C#N)c1 ZINC001197108478 1368745491 /nfs/dbraw/zinc/74/54/91/1368745491.db2.gz QHJLGDJRIAUXQE-UHFFFAOYSA-N -1 0 327.365 3.074 20 30 EGEDRM Cc1ccnc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2C#N)c1 ZINC001198009457 1368940708 /nfs/dbraw/zinc/94/07/08/1368940708.db2.gz LYMXUPJXBSWWFA-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM N#Cc1c(F)cc(F)cc1[N-]S(=O)(=O)c1ccc2occc2c1 ZINC001198870277 1369135601 /nfs/dbraw/zinc/13/56/01/1369135601.db2.gz LPLPXDAQIWSGQI-UHFFFAOYSA-N -1 0 334.303 3.383 20 30 EGEDRM Cc1cccc(S(=O)(=O)[N-]c2cc(F)c(C#N)c(F)c2)c1F ZINC001200811370 1369432330 /nfs/dbraw/zinc/43/23/30/1369432330.db2.gz UEXMIEXRMVUNIZ-UHFFFAOYSA-N -1 0 326.299 3.085 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=S)Nc2ccc(-n3cccn3)cc2)c1 ZINC001200884308 1369443732 /nfs/dbraw/zinc/44/37/32/1369443732.db2.gz SEJOIMUGKPXERE-UHFFFAOYSA-N -1 0 335.392 3.258 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3s2)cc1C#N ZINC001201288055 1369511393 /nfs/dbraw/zinc/51/13/93/1369511393.db2.gz UGQPYPFVUWYDPD-UHFFFAOYSA-N -1 0 329.406 3.277 20 30 EGEDRM CCc1ccc(OC)c([N-]S(=O)(=O)c2ccc(C)c(C#N)c2)c1 ZINC001201322314 1369519912 /nfs/dbraw/zinc/51/99/12/1369519912.db2.gz IOUMJEUYSUHRSS-UHFFFAOYSA-N -1 0 330.409 3.239 20 30 EGEDRM CCCCCCCCCCS(=O)(=O)[N-]c1ccc(OC)nn1 ZINC001201831729 1369631068 /nfs/dbraw/zinc/63/10/68/1369631068.db2.gz WCYJUNNOLCXKLU-UHFFFAOYSA-N -1 0 329.466 3.368 20 30 EGEDRM Cc1ccc(NN=Cc2c(Br)cc(C(=O)[O-])n2C)cc1 ZINC001116076849 1370833533 /nfs/dbraw/zinc/83/35/33/1370833533.db2.gz KNFDRGDZAUMULY-UHFFFAOYSA-N -1 0 336.189 3.240 20 30 EGEDRM O=C([O-])C(F)(F)Oc1ccc(C=NNCc2ccc(F)cc2)cc1 ZINC001116286760 1370878876 /nfs/dbraw/zinc/87/88/76/1370878876.db2.gz VKWYNSCHRIGDOK-UHFFFAOYSA-N -1 0 338.285 3.006 20 30 EGEDRM C=C[C@H](C)O[N-]C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1 ZINC001118270934 1371155556 /nfs/dbraw/zinc/15/55/56/1371155556.db2.gz GHBLCVFMRRUCOU-JSGCOSHPSA-N -1 0 326.437 3.082 20 30 EGEDRM C=CC[C@H](NC(=O)N[C@H]1CCSc2ccc(Cl)cc21)C(=O)[O-] ZINC001119715644 1371392832 /nfs/dbraw/zinc/39/28/32/1371392832.db2.gz YPTVVMHIIDFIMC-RYUDHWBXSA-N -1 0 340.832 3.205 20 30 EGEDRM C=CC[C@@H](NC(=O)N[C@H](CC)c1ccccc1OC(F)F)C(=O)[O-] ZINC001119714741 1371392854 /nfs/dbraw/zinc/39/28/54/1371392854.db2.gz GXGDGTYIENRJNV-VXGBXAGGSA-N -1 0 342.342 3.068 20 30 EGEDRM COc1cc(C#N)ccc1Nc1ccc(S(=O)(=O)[O-])cc1Cl ZINC001209430847 1372104756 /nfs/dbraw/zinc/10/47/56/1372104756.db2.gz GYVLIRWYLMVUOG-UHFFFAOYSA-N -1 0 338.772 3.211 20 30 EGEDRM N#CC1(c2ccc([N-]S(=O)(=O)c3nccs3)cc2)CCCC1 ZINC001187894178 1388185831 /nfs/dbraw/zinc/18/58/31/1388185831.db2.gz DRDNBQVPNVMWQW-UHFFFAOYSA-N -1 0 333.438 3.279 20 30 EGEDRM N#Cc1cnn2c1ncc(C#N)c2Nc1cc(Cl)c([O-])c(Cl)c1 ZINC001210926769 1372455419 /nfs/dbraw/zinc/45/54/19/1372455419.db2.gz NSHBMBCQAGBQMS-UHFFFAOYSA-N -1 0 345.149 3.229 20 30 EGEDRM COC(=O)c1cc(C#N)ccc1Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001211967242 1372641889 /nfs/dbraw/zinc/64/18/89/1372641889.db2.gz XUEVZTJEQRTQHB-UHFFFAOYSA-N -1 0 330.727 3.440 20 30 EGEDRM CCCCCCCCS(=O)(=O)[N-]c1ccccc1S(C)(=O)=O ZINC001188012532 1388213218 /nfs/dbraw/zinc/21/32/18/1388213218.db2.gz AOZKPRRFAXZQGA-UHFFFAOYSA-N -1 0 347.502 3.192 20 30 EGEDRM COc1ccc(Nc2ccc(NC(=O)CCC(=O)[O-])cc2)cc1C#N ZINC001213189186 1372856056 /nfs/dbraw/zinc/85/60/56/1372856056.db2.gz BFKPZVGNZKVDOH-UHFFFAOYSA-N -1 0 339.351 3.114 20 30 EGEDRM COc1ccc(C#N)c(Nc2ccc(NC(=O)CCC(=O)[O-])cc2)c1 ZINC001213189862 1372856429 /nfs/dbraw/zinc/85/64/29/1372856429.db2.gz NGTMMVQTQSNUKU-UHFFFAOYSA-N -1 0 339.351 3.114 20 30 EGEDRM C#CCOc1ccc(Nc2ccc(NC(=O)CCC(=O)[O-])cc2)cc1 ZINC001213192697 1372856888 /nfs/dbraw/zinc/85/68/88/1372856888.db2.gz VQDINKZBVPBTAA-UHFFFAOYSA-N -1 0 338.363 3.246 20 30 EGEDRM COC(=O)c1sc(Nc2cc(OC)cc(C(=O)[O-])c2)c(C#N)c1C ZINC001213584969 1372929985 /nfs/dbraw/zinc/92/99/85/1372929985.db2.gz MHUZZLSLUKATDX-UHFFFAOYSA-N -1 0 346.364 3.165 20 30 EGEDRM N#Cc1ccc(Nc2ccc(CCC(=O)[O-])cc2)c(Br)n1 ZINC001213621348 1372936157 /nfs/dbraw/zinc/93/61/57/1372936157.db2.gz SZONZMWFSULSJX-UHFFFAOYSA-N -1 0 346.184 3.477 20 30 EGEDRM COC(=O)c1cc(C#N)cc(C)c1Nc1ccc(CCC(=O)[O-])cc1 ZINC001213635615 1372938539 /nfs/dbraw/zinc/93/85/39/1372938539.db2.gz SUINHIAPSFEKFA-UHFFFAOYSA-N -1 0 338.363 3.414 20 30 EGEDRM CCOc1ccc(C(=O)[O-])cc1Nc1cc(C#N)cc(C(=O)OC)c1 ZINC001214279617 1373036674 /nfs/dbraw/zinc/03/66/74/1373036674.db2.gz WLDMSWJJIPDERG-UHFFFAOYSA-N -1 0 340.335 3.185 20 30 EGEDRM N#Cc1cccc(Br)c1Nc1cc(C(=O)[O-])cnc1F ZINC001215131891 1373175756 /nfs/dbraw/zinc/17/57/56/1373175756.db2.gz XHYCSMWBHQQCOC-UHFFFAOYSA-N -1 0 336.120 3.297 20 30 EGEDRM CON(C)C(=O)c1ccc(Nc2scc([O-])c2C#N)c(Cl)c1 ZINC001215898383 1373249645 /nfs/dbraw/zinc/24/96/45/1373249645.db2.gz USXFWXMURNJCKP-UHFFFAOYSA-N -1 0 337.788 3.356 20 30 EGEDRM Cc1ccc(-c2nc(-c3cc(F)cc(C#N)c3)no2)c([N+](=O)[O-])c1[O-] ZINC001216857103 1373352217 /nfs/dbraw/zinc/35/22/17/1373352217.db2.gz YUVDNEMFOZHCTE-UHFFFAOYSA-N -1 0 340.270 3.337 20 30 EGEDRM N#Cc1cccc(-c2nc(-c3cccc(-n4cccn4)c3)no2)c1[O-] ZINC001216979876 1373374983 /nfs/dbraw/zinc/37/49/83/1373374983.db2.gz LABDKUNGEDNZBW-UHFFFAOYSA-N -1 0 329.319 3.167 20 30 EGEDRM Cc1cccc(-c2noc(-c3cc(=O)c4cc(C#N)ccc4[n-]3)n2)c1 ZINC001217502822 1373456130 /nfs/dbraw/zinc/45/61/30/1373456130.db2.gz WHHQLFVBMOHGQW-UHFFFAOYSA-N -1 0 328.331 3.425 20 30 EGEDRM Cn1c(C(=O)Nc2cc(C#N)c(F)cc2[O-])ccc1C(F)(F)F ZINC001188366255 1388297518 /nfs/dbraw/zinc/29/75/18/1388297518.db2.gz YRWGINJDHSPUBH-UHFFFAOYSA-N -1 0 327.237 3.013 20 30 EGEDRM C=CC[C@H](C=C)Oc1cc([O-])c(Br)cc1C(=O)OC ZINC001227360043 1375422038 /nfs/dbraw/zinc/42/20/38/1375422038.db2.gz QRPJUKUKGXRWQA-VIFPVBQESA-N -1 0 327.174 3.451 20 30 EGEDRM C=C(C)C[C@H](Oc1[nH]c(=O)nc2nc(Br)[n-]c21)C(=C)C ZINC001227595897 1375449652 /nfs/dbraw/zinc/44/96/52/1375449652.db2.gz DWAHZPNPTUBHDA-QMMMGPOBSA-N -1 0 339.193 3.111 20 30 EGEDRM C=C(C)C[C@@H](Oc1c([O-])c(C(=O)OC)sc1C(=O)OC)C(=C)C ZINC001227622726 1375455928 /nfs/dbraw/zinc/45/59/28/1375455928.db2.gz OAYPWOLPFBLGHX-SNVBAGLBSA-N -1 0 340.397 3.317 20 30 EGEDRM N#C[C@@H]1CC[C@@H](Oc2c(Cl)cc(S(=O)(=O)[O-])cc2Cl)C1 ZINC001227634044 1375456537 /nfs/dbraw/zinc/45/65/37/1375456537.db2.gz ILRQMUTYUNEWCS-HTQZYQBOSA-N -1 0 336.196 3.311 20 30 EGEDRM C[C@H]1CN(C(=O)OC(C)(C)C)CCC[C@@H]1Oc1[n-]c(=O)ccc1C#N ZINC001228898819 1375708714 /nfs/dbraw/zinc/70/87/14/1375708714.db2.gz MINHCVOFHGRCQI-JSGCOSHPSA-N -1 0 347.415 3.073 20 30 EGEDRM CN(C(=O)OC(C)(C)C)[C@H]1CC[C@H](Oc2[n-]c(=O)ccc2C#N)CC1 ZINC001228899506 1375708854 /nfs/dbraw/zinc/70/88/54/1375708854.db2.gz YGKAAHGUNCIFQY-HDJSIYSDSA-N -1 0 347.415 3.216 20 30 EGEDRM C[C@H](Oc1ncc(I)cc1C#N)C1=CC=C[CH]1 ZINC001229885636 1375911692 /nfs/dbraw/zinc/91/16/92/1375911692.db2.gz MQUNYMIISCAWJL-VIFPVBQESA-N -1 0 337.140 3.026 20 30 EGEDRM Cc1cccc(CS(=O)(=O)[N-]c2onc(C(C)(C)C)c2C#N)c1 ZINC001259743320 1377123448 /nfs/dbraw/zinc/12/34/48/1377123448.db2.gz FZWMCPKOOYZRBA-UHFFFAOYSA-N -1 0 333.413 3.094 20 30 EGEDRM N#CCN(Cc1cn(CC(=O)[O-])c2ccccc12)Cc1ccccc1 ZINC001138194174 1377689196 /nfs/dbraw/zinc/68/91/96/1377689196.db2.gz CLPLQNKSNNPWMG-UHFFFAOYSA-N -1 0 333.391 3.252 20 30 EGEDRM Cc1nc2ccccc2c(C(=O)Nc2ccc(C#N)cc2C#N)c1[O-] ZINC001149196005 1379344300 /nfs/dbraw/zinc/34/43/00/1379344300.db2.gz FAZJYDFDZRGBLK-UHFFFAOYSA-N -1 0 328.331 3.244 20 30 EGEDRM C[C@H](NC(=O)c1cc(=O)n(C)[n-]1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC001154054268 1380192625 /nfs/dbraw/zinc/19/26/25/1380192625.db2.gz RWBDSYZPZATOIX-ZDUSSCGKSA-N -1 0 346.390 3.155 20 30 EGEDRM N#Cc1ccc(Oc2nc(Cl)ncc2NCc2cc(=O)[n-]o2)cc1 ZINC001158564571 1381301985 /nfs/dbraw/zinc/30/19/85/1381301985.db2.gz KBLKOKGGWKBRNF-UHFFFAOYSA-N -1 0 343.730 3.100 20 30 EGEDRM N#Cc1cccc2c1CC[C@H]2Nc1nc[n-]c2nc(=S)sc1-2 ZINC001159916478 1381936353 /nfs/dbraw/zinc/93/63/53/1381936353.db2.gz OCFCISFGDVFVRI-LLVKDONJSA-N -1 0 325.422 3.346 20 30 EGEDRM N=C(Nc1ncc(Cl)cc1C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001163680356 1383104802 /nfs/dbraw/zinc/10/48/02/1383104802.db2.gz PCLBQQBZVJBEDI-UHFFFAOYSA-N -1 0 343.692 3.489 20 30 EGEDRM O=C([O-])c1ccc(NC2=C(c3ccccc3)C(=O)c3ccccc32)nn1 ZINC001168410479 1383899634 /nfs/dbraw/zinc/89/96/34/1383899634.db2.gz IAKURHTWZZCXGA-UHFFFAOYSA-N -1 0 343.342 3.352 20 30 EGEDRM N#Cc1c(Cl)cc(Br)cc1NCc1cc(=O)[n-]o1 ZINC001169485602 1384153433 /nfs/dbraw/zinc/15/34/33/1384153433.db2.gz QFUUXUZWHGWMOY-UHFFFAOYSA-N -1 0 328.553 3.280 20 30 EGEDRM N#CCc1nn(-c2ccccc2)c(Nc2ccc(C(=O)[O-])s2)c1C#N ZINC001174807844 1385151710 /nfs/dbraw/zinc/15/17/10/1385151710.db2.gz ORTINMBRPWPUOC-UHFFFAOYSA-N -1 0 349.375 3.313 20 30 EGEDRM N#Cc1sc(-c2ccc(F)cc2)cc1Nc1cnn(CC(=O)[O-])c1 ZINC001176265156 1385531510 /nfs/dbraw/zinc/53/15/10/1385531510.db2.gz ATETWLOEITXYAT-UHFFFAOYSA-N -1 0 342.355 3.451 20 30 EGEDRM N#Cc1cc(Cl)c(Nc2cnn(CC(=O)[O-])c2)cc1C(F)(F)F ZINC001176272793 1385534169 /nfs/dbraw/zinc/53/41/69/1385534169.db2.gz DWTSHUGBSJYHAN-UHFFFAOYSA-N -1 0 344.680 3.255 20 30 EGEDRM C[C@H](Oc1cccc(CN=Nc2ccc(C(C)(C)C)nn2)c1)C(=O)[O-] ZINC001318580951 1385769397 /nfs/dbraw/zinc/76/93/97/1385769397.db2.gz SZPNAIFRCAQNNG-LBPRGKRZSA-N -1 0 342.399 3.072 20 30 EGEDRM C=CC[C@H](NC(=O)NC[C@H](C)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC001321145657 1386821664 /nfs/dbraw/zinc/82/16/64/1386821664.db2.gz XMQJEKYFSDOSBW-CABZTGNLSA-N -1 0 345.226 3.425 20 30 EGEDRM C=CC[C@@H](NC(=O)/C=C(/C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC001321205938 1386840485 /nfs/dbraw/zinc/84/04/85/1386840485.db2.gz ABACVRTXHZTJOJ-CHOZFAJLSA-N -1 0 327.302 3.254 20 30 EGEDRM CC(C)(CC(=O)[N-]S(=O)(=O)c1ccccc1C#N)C1CCCCC1 ZINC001321562134 1386930740 /nfs/dbraw/zinc/93/07/40/1386930740.db2.gz LNHFNFXBJWFPNJ-UHFFFAOYSA-N -1 0 348.468 3.360 20 30 EGEDRM COc1ccc2[nH]c(C)c(CC(=O)Nc3ccc(C#N)cc3O)c2c1 ZINC001181198893 1386957869 /nfs/dbraw/zinc/95/78/69/1386957869.db2.gz NFZSDLHFPAOLSF-UHFFFAOYSA-N -1 0 335.363 3.243 20 30 EGEDRM C=CC[C@@H](NC(=O)NCc1ccccc1Oc1ccccc1)C(=O)[O-] ZINC001322512817 1387198803 /nfs/dbraw/zinc/19/88/03/1387198803.db2.gz AMAIIRHWQBIOHL-MRXNPFEDSA-N -1 0 340.379 3.307 20 30 EGEDRM C=CC[C@H](NC(=O)c1cc(C2CC2)nc2ccc(F)cc21)C(=O)[O-] ZINC001322601604 1387211688 /nfs/dbraw/zinc/21/16/88/1387211688.db2.gz NBKARQUFUUOLFZ-HNNXBMFYSA-N -1 0 328.343 3.010 20 30 EGEDRM N#CCC[C@@H](NC(=O)N1CCCC[C@@H]1CCC(=O)[O-])c1ccccc1 ZINC001339854503 1390176074 /nfs/dbraw/zinc/17/60/74/1390176074.db2.gz GNULRHKADPFOKC-IAGOWNOFSA-N -1 0 343.427 3.460 20 30 EGEDRM C=CCC[C@H](NCc1nc(-c2cccc(OC)c2)cs1)C(=O)[O-] ZINC001333938455 1390445931 /nfs/dbraw/zinc/44/59/31/1390445931.db2.gz MPDUGSFVXWCAJC-AWEZNQCLSA-N -1 0 332.425 3.328 20 30 EGEDRM C=CCC(CC=C)C(=O)Nc1cccc(-n2ccc(C(=O)[O-])n2)c1 ZINC001341818995 1390533305 /nfs/dbraw/zinc/53/33/05/1390533305.db2.gz CICLKZAGIQDLPO-UHFFFAOYSA-N -1 0 325.368 3.277 20 30 EGEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(N2CCCCCC2)cc1 ZINC001342022511 1390562853 /nfs/dbraw/zinc/56/28/53/1390562853.db2.gz SQZGBMXVMBUQLY-SFHVURJKSA-N -1 0 339.439 3.012 20 30 EGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)C1SCCS1 ZINC001343778772 1390736366 /nfs/dbraw/zinc/73/63/66/1390736366.db2.gz SJSALXLJQYQMEH-NSHDSACASA-N -1 0 330.434 3.174 20 30 EGEDRM N#CC(=C([O-])c1cc2cc([N+](=O)[O-])ccc2o1)c1cccc(F)n1 ZINC001344002947 1390749393 /nfs/dbraw/zinc/74/93/93/1390749393.db2.gz DZNZDXGPPSVAEQ-NSHDSACASA-N -1 0 325.255 3.365 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)c2cccc(F)n2)nn1-c1cccc(C#N)c1 ZINC001344020482 1390750680 /nfs/dbraw/zinc/75/06/80/1390750680.db2.gz BHZDHYHFTKQYSW-HNNXBMFYSA-N -1 0 345.337 3.077 20 30 EGEDRM CCCCCCCCC(=O)[N-]S(=O)(=O)c1cc(C(C)(C)O)co1 ZINC001352044928 1391750651 /nfs/dbraw/zinc/75/06/51/1391750651.db2.gz SHMIWSNOFUIIQP-UHFFFAOYSA-N -1 0 345.461 3.063 20 30 EGEDRM N#Cc1ccc(SCc2cccc(-c3nn[n-]n3)c2F)c(F)c1 ZINC000826386090 1428778377 /nfs/dbraw/zinc/77/83/77/1428778377.db2.gz OLVMXJPUYVZYNZ-UHFFFAOYSA-N -1 0 329.335 3.309 20 30 EGEDRM COc1ccc(C=CC(=O)c2ccc(Cl)s2)cc1-c1nn[n-]n1 ZINC000737081944 1428819674 /nfs/dbraw/zinc/81/96/74/1428819674.db2.gz SAYFHBGNPJBCRM-RQOWECAXSA-N -1 0 346.799 3.486 20 30 EGEDRM O=C(C=Cc1cccc2cnccc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000826401256 1423857803 /nfs/dbraw/zinc/85/78/03/1423857803.db2.gz TWJIYWRQQYNKBN-CMDGGOBGSA-N -1 0 327.347 3.311 20 30 EGEDRM COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000737082122 1424009084 /nfs/dbraw/zinc/00/90/84/1424009084.db2.gz UWZFIJYQBDHUMQ-KRXBUXKQSA-N -1 0 340.770 3.425 20 30 EGEDRM C[C@@H]1c2c(c(O)ccc2F)C(=O)C1=Cc1cc(-c2nnn[n-]2)cs1 ZINC000820643751 1424108420 /nfs/dbraw/zinc/10/84/20/1424108420.db2.gz YTKHYJRYYHLNLQ-OYSUNCFMSA-N -1 0 342.355 3.156 20 30 EGEDRM Cc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cc1[N+](=O)[O-] ZINC000822225003 1424462214 /nfs/dbraw/zinc/46/22/14/1424462214.db2.gz JJIKVLXINZCAAW-XQRVVYSFSA-N -1 0 341.352 3.041 20 30 EGEDRM FC(F)(F)c1ccc(CNN=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000826368296 1424997762 /nfs/dbraw/zinc/99/77/62/1424997762.db2.gz KRAVXSMGGCVYEG-UHFFFAOYSA-N -1 0 346.316 3.009 20 30 EGEDRM CC(=NNc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccc(F)cc1F ZINC000823953754 1425018381 /nfs/dbraw/zinc/01/83/81/1425018381.db2.gz OMTHDXGVLBYQPU-UHFFFAOYSA-N -1 0 349.732 3.029 20 30 EGEDRM O=C1C(=Cc2cc(-c3nn[n-]n3)cs2)CSc2c(F)cccc21 ZINC000823503927 1425592419 /nfs/dbraw/zinc/59/24/19/1425592419.db2.gz KSLVZQWWDBMWSF-XBXARRHUSA-N -1 0 344.396 3.439 20 30 EGEDRM CC(=NNCc1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000819773511 1426031314 /nfs/dbraw/zinc/03/13/14/1426031314.db2.gz SGYIMNCNYBJAJO-UHFFFAOYSA-N -1 0 326.791 3.034 20 30 EGEDRM O=C1c2cc(F)cc(F)c2CC1=Cc1cc(-c2nn[n-]n2)cs1 ZINC000826475281 1426490927 /nfs/dbraw/zinc/49/09/27/1426490927.db2.gz BAHGYIPTZOEOOQ-LREOWRDNSA-N -1 0 330.319 3.029 20 30 EGEDRM O=C1C(=Cc2cc(-c3nn[n-]n3)cs2)Cc2c1c(F)ccc2F ZINC000826475723 1426561785 /nfs/dbraw/zinc/56/17/85/1426561785.db2.gz OJDKCWIAMPLQTH-CLTKARDFSA-N -1 0 330.319 3.029 20 30 EGEDRM COc1cc(-c2nn[n-]n2)ccc1CSc1ccc(C#N)cc1F ZINC000826173840 1428064271 /nfs/dbraw/zinc/06/42/71/1428064271.db2.gz XBAVSKHTWLXYBJ-UHFFFAOYSA-N -1 0 341.371 3.178 20 30 EGEDRM N#Cc1ccc(C2=CCN(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000826384963 1429795953 /nfs/dbraw/zinc/79/59/53/1429795953.db2.gz RKUBBQODSHDVCF-UHFFFAOYSA-N -1 0 328.379 3.032 20 30 EGEDRM O=C(C=Cc1nccc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000737809917 1429980047 /nfs/dbraw/zinc/98/00/47/1429980047.db2.gz VRDYATZHCVGJSK-KTKRTIGZSA-N -1 0 327.347 3.311 20 30 EGEDRM Cc1cc2ccccc2nc1NN=Cc1cc(-c2nn[n-]n2)cs1 ZINC000826273353 1430046239 /nfs/dbraw/zinc/04/62/39/1430046239.db2.gz ZXWXEYQOYABKMY-UHFFFAOYSA-N -1 0 335.396 3.231 20 30 EGEDRM CCC(CC)CN(CCC#N)c1ncc(Cl)c(C)c1-c1nn[n-]n1 ZINC000825106496 1430128163 /nfs/dbraw/zinc/12/81/63/1430128163.db2.gz DXOHLYQIQDRCRT-UHFFFAOYSA-N -1 0 347.854 3.380 20 30 EGEDRM Oc1ccc(C=NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1 ZINC000738398122 1430145164 /nfs/dbraw/zinc/14/51/64/1430145164.db2.gz UEJLPCQXABFFHF-UHFFFAOYSA-N -1 0 348.288 3.037 20 30 EGEDRM O=C1C(=Cc2ccc(-c3nn[n-]n3)cc2F)Cc2c1c(F)ccc2F ZINC000826475556 1441429833 /nfs/dbraw/zinc/42/98/33/1441429833.db2.gz JURMAEAWGJCFND-YHYXMXQVSA-N -1 0 342.280 3.106 20 30 EGEDRM N#Cc1cc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)ccc1F ZINC000826383765 1441448788 /nfs/dbraw/zinc/44/87/88/1441448788.db2.gz PEGNHPIFORRXOJ-NTUHNPAUSA-N -1 0 345.337 3.090 20 30 EGEDRM O=C(C=Cc1cccc(-n2cccn2)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000826400701 1441962559 /nfs/dbraw/zinc/96/25/59/1441962559.db2.gz FOLDTDMWCHILJW-WAYWQWQTSA-N -1 0 348.391 3.010 20 30 EGEDRM Cn1cc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)c2ccccc21 ZINC000822669937 1441993187 /nfs/dbraw/zinc/99/31/87/1441993187.db2.gz VMHDNKDJHIGAFL-VURMDHGXSA-N -1 0 335.392 3.316 20 30 EGEDRM C=CC[C@@H](C)NC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735409675 1442144224 /nfs/dbraw/zinc/14/42/24/1442144224.db2.gz IKSBRLDQSMMOFE-CYBMUJFWSA-N -1 0 348.410 3.305 20 30 EGEDRM C=C(C)COc1cccc(NCc2ccc(-c3nn[n-]n3)s2)c1 ZINC000819723089 1443073316 /nfs/dbraw/zinc/07/33/16/1443073316.db2.gz YBADFTAXANQVNO-UHFFFAOYSA-N -1 0 327.413 3.495 20 30 EGEDRM Fc1ccc(C#CCN(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1 ZINC000826373290 1443445097 /nfs/dbraw/zinc/44/50/97/1443445097.db2.gz HBTYTAWSGBMICE-UHFFFAOYSA-N -1 0 347.397 3.022 20 30 EGEDRM CC(C)Oc1ccc(NCc2ccc(C#N)cc2)cc1-c1nn[n-]n1 ZINC000820173914 1443535695 /nfs/dbraw/zinc/53/56/95/1443535695.db2.gz NJFFXIDJGWDAHJ-UHFFFAOYSA-N -1 0 334.383 3.138 20 30 EGEDRM Cc1ccc(F)c(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000826289088 1446135078 /nfs/dbraw/zinc/13/50/78/1446135078.db2.gz KFHPCYQEKBETOZ-QPJJXVBHSA-N -1 0 326.306 3.349 20 30 EGEDRM O=C(C=Cc1cncc2ccccc12)c1cccc(-c2nn[n-]n2)c1 ZINC000822934849 1446386171 /nfs/dbraw/zinc/38/61/71/1446386171.db2.gz DIFVJZRFEWLRBX-CMDGGOBGSA-N -1 0 327.347 3.311 20 30 EGEDRM CCCC[C@@H](CC)CC=Nn1c(C)cc(C)c(-c2nn[n-]n2)c1=O ZINC000825261448 1446427714 /nfs/dbraw/zinc/42/77/14/1446427714.db2.gz ZRJXRVDHCKWGEF-CQSZACIVSA-N -1 0 330.436 3.086 20 30 EGEDRM COc1ccc2c(c1)C(=O)C(=Cc1cc(-c3nn[n-]n3)cs1)CC2 ZINC000821849474 1446913588 /nfs/dbraw/zinc/91/35/88/1446913588.db2.gz JQRUBBCSKICFKZ-IZZDOVSWSA-N -1 0 338.392 3.149 20 30 EGEDRM C=CCC(CC=C)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000819735047 1446926128 /nfs/dbraw/zinc/92/61/28/1446926128.db2.gz ZLMGXWHKVMHRTN-UHFFFAOYSA-N -1 0 337.427 3.126 20 30 EGEDRM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1cc(F)ccc1F ZINC000822924235 1447269214 /nfs/dbraw/zinc/26/92/14/1447269214.db2.gz ZIYNIJQYPZYNHF-UTCJRWHESA-N -1 0 330.269 3.180 20 30 EGEDRM N#CC1(CSc2nc(-c3ccccc3)ccc2-c2nnn[n-]2)CC1 ZINC000826380416 1447314127 /nfs/dbraw/zinc/31/41/27/1447314127.db2.gz ZPYOWTNFAMWLIQ-UHFFFAOYSA-N -1 0 334.408 3.325 20 30 EGEDRM CC(=Cc1ccc(C)cc1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000823943716 1447315910 /nfs/dbraw/zinc/31/59/10/1447315910.db2.gz RIQMFFJONBANSB-UKTHLTGXSA-N -1 0 344.378 3.089 20 30 EGEDRM N#Cc1ccccc1-c1ccccc1C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001601124324 970937399 /nfs/dbraw/zinc/93/73/99/970937399.db2.gz KVGFRSJDVDZADL-HIFRSBDPSA-N -1 0 334.375 3.208 20 30 EGEDRM CCc1ccc(C#CC(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC001593633818 953597203 /nfs/dbraw/zinc/59/72/03/953597203.db2.gz QRONWEHHTHDUJI-MOPGFXCFSA-N -1 0 333.387 3.030 20 30 EGEDRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)C1(c2ccc(C#N)cc2)CCCC1 ZINC001589299865 953684684 /nfs/dbraw/zinc/68/46/84/953684684.db2.gz OILVMOCNJZJUCE-GOEBONIOSA-N -1 0 340.423 3.082 20 30 EGEDRM C[C@H]1CCCN(CC#Cc2ccc(OC(F)(F)F)cc2)[C@H]1C(=O)[O-] ZINC001589327938 953928235 /nfs/dbraw/zinc/92/82/35/953928235.db2.gz LNZAMPMOTGCSIF-SWLSCSKDSA-N -1 0 341.329 3.122 20 30 EGEDRM C[C@](CNc1cc(C(F)(F)F)cc(C#N)n1)(C(=O)[O-])c1ccccc1 ZINC001589072157 955782844 /nfs/dbraw/zinc/78/28/44/955782844.db2.gz NVSCSUVEUNHJLX-MRXNPFEDSA-N -1 0 349.312 3.426 20 30 EGEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCCc2cc(C(=O)[O-])ccc21 ZINC001589079815 955843472 /nfs/dbraw/zinc/84/34/72/955843472.db2.gz XNZJPXVOFBIGNH-AWEZNQCLSA-N -1 0 348.402 3.414 20 30 EGEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CC[C@H](C(=O)[O-])c2ccccc21 ZINC001589079917 955845079 /nfs/dbraw/zinc/84/50/79/955845079.db2.gz ZODSHLUHMLNCQD-KSSFIOAISA-N -1 0 348.402 3.342 20 30 EGEDRM N#C[C@H](NC(=O)C1(C(=O)[O-])CC=CC1)c1cccc(Cl)c1Cl ZINC001594601973 956141924 /nfs/dbraw/zinc/14/19/24/956141924.db2.gz SPKKAWCTKHRGFG-NSHDSACASA-N -1 0 339.178 3.095 20 30 EGEDRM N#Cc1c(F)cc(C(=O)Nc2cccc(CCC(=O)[O-])c2)cc1F ZINC001594612099 956225882 /nfs/dbraw/zinc/22/58/82/956225882.db2.gz YTKZHMRKGFYCMB-UHFFFAOYSA-N -1 0 330.290 3.106 20 30 EGEDRM N#Cc1cc(NC(=O)Nc2cccc(CC(=O)[O-])c2)c(F)cc1F ZINC001594615564 956233714 /nfs/dbraw/zinc/23/37/14/956233714.db2.gz BYIMMXCXSYTAEO-UHFFFAOYSA-N -1 0 331.278 3.108 20 30 EGEDRM N#Cc1ccc(C(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1Cl ZINC001594617945 956258164 /nfs/dbraw/zinc/25/81/64/956258164.db2.gz UBRXWJILALUWDF-HOCLYGCPSA-N -1 0 340.766 3.255 20 30 EGEDRM N#Cc1ccc(NC(=O)[C@@]2(C(=O)[O-])CC=CCC2)cc1C(F)(F)F ZINC001594623154 956296641 /nfs/dbraw/zinc/29/66/41/956296641.db2.gz WXIKOOQZKGRKNN-OAHLLOKOSA-N -1 0 338.285 3.327 20 30 EGEDRM N#Cc1ccsc1C(=O)N1C[C@H](CCC(=O)[O-])Cc2ccccc21 ZINC001594631849 956347413 /nfs/dbraw/zinc/34/74/13/956347413.db2.gz OUUWEZOKDZJXAR-GFCCVEGCSA-N -1 0 340.404 3.304 20 30 EGEDRM CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCCCCCC(=O)[O-] ZINC001341040301 957945906 /nfs/dbraw/zinc/94/59/06/957945906.db2.gz NNBPGDNXKYZWNB-UHFFFAOYSA-N -1 0 331.416 3.123 20 30 EGEDRM C#C[C@H](NC(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1ccc(Cl)cc1 ZINC001588385408 957971104 /nfs/dbraw/zinc/97/11/04/957971104.db2.gz FVOIRZNRUKNVPW-BBRMVZONSA-N -1 0 348.830 3.301 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)Nc1cc(Cl)ccc1SC(C)C ZINC001588411025 958145067 /nfs/dbraw/zinc/14/50/67/958145067.db2.gz FSHACKDSZZBOJB-UHFFFAOYSA-N -1 0 340.832 3.392 20 30 EGEDRM C=C(C)COc1cccc(NC(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C)c1 ZINC001588443524 958353112 /nfs/dbraw/zinc/35/31/12/958353112.db2.gz SNUNVQGHCJYZII-KBPBESRZSA-N -1 0 332.400 3.359 20 30 EGEDRM C=C(CNC(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21)c1ccccc1 ZINC001588445898 958377639 /nfs/dbraw/zinc/37/76/39/958377639.db2.gz VJLJLGABLVZPLS-QZTJIDSGSA-N -1 0 336.391 3.312 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@@H](CCCc2ccccc2)C1 ZINC001573359995 958589883 /nfs/dbraw/zinc/58/98/83/958589883.db2.gz OHXDJJMGMLKPQN-XLIONFOSSA-N -1 0 342.439 3.252 20 30 EGEDRM C[C@@](C#N)(CCc1ccccc1)NC(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001573364885 958617455 /nfs/dbraw/zinc/61/74/55/958617455.db2.gz RJMUELJRQFORDX-FQQSSWHASA-N -1 0 338.363 3.022 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1cc(Cl)cc(Br)c1 ZINC001588542179 958969337 /nfs/dbraw/zinc/96/93/37/958969337.db2.gz TYHRDQMFXWHENC-LBPRGKRZSA-N -1 0 345.580 3.046 20 30 EGEDRM CC(C)Oc1ccc(NC(=O)c2coc(/C=C\C(=O)[O-])c2)cc1C#N ZINC001573554887 959250512 /nfs/dbraw/zinc/25/05/12/959250512.db2.gz KLDXRTYQWWQFRY-XQRVVYSFSA-N -1 0 340.335 3.289 20 30 EGEDRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)Nc1cccc(C#N)c1Br ZINC001588633303 959628631 /nfs/dbraw/zinc/62/86/31/959628631.db2.gz HGKWQCDAXPWNGQ-SNVBAGLBSA-N -1 0 339.189 3.006 20 30 EGEDRM Cc1c(Cl)cnc(N2Cc3ccccc3[C@H](C(=O)[O-])C2)c1C#N ZINC001594262698 959711649 /nfs/dbraw/zinc/71/16/49/959711649.db2.gz RBVZDKGPTJEXCV-CQSZACIVSA-N -1 0 327.771 3.104 20 30 EGEDRM CCCC[C@H](ON=C(C)C)C(=O)N[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001573841497 961082407 /nfs/dbraw/zinc/08/24/07/961082407.db2.gz UGOKTYXBCXHEEB-LSDHHAIUSA-N -1 0 338.379 3.039 20 30 EGEDRM CC(C)(C)Oc1ccc(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)cc1C#N ZINC001588734201 961114633 /nfs/dbraw/zinc/11/46/33/961114633.db2.gz ARSFKLSSDFFSPD-YPMHNXCESA-N -1 0 345.399 3.110 20 30 EGEDRM CC(C)(CCNC(=O)c1c(Cl)cc(C#N)cc1Cl)C(=O)[O-] ZINC001588775169 961277459 /nfs/dbraw/zinc/27/74/59/961277459.db2.gz OWVSYQQEVPTFAS-UHFFFAOYSA-N -1 0 329.183 3.096 20 30 EGEDRM CC(C)C[C@H](CNc1ncc(C#N)cc1Br)CC(=O)[O-] ZINC001588898565 962235604 /nfs/dbraw/zinc/23/56/04/962235604.db2.gz GMZHKUANRZCHMX-JTQLQIEISA-N -1 0 340.221 3.265 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1cnn(-c2cc(C)ccc2C)c1C ZINC001573338046 962871879 /nfs/dbraw/zinc/87/18/79/962871879.db2.gz WDYAXODJOFOFTL-UHFFFAOYSA-N -1 0 327.384 3.157 20 30 EGEDRM C=CCC[C@@H](NCc1cc(C(=O)[O-])ccc1Cl)C(=O)OCC ZINC001573357793 963022019 /nfs/dbraw/zinc/02/20/19/963022019.db2.gz SPGUEXKECYDNRC-CQSZACIVSA-N -1 0 325.792 3.026 20 30 EGEDRM C=CCCC[C@@H](NC(=O)COc1ccc(Cl)c(CC)c1)C(=O)[O-] ZINC001573357978 963022610 /nfs/dbraw/zinc/02/26/10/963022610.db2.gz VHUHBXOMVVUGAG-OAHLLOKOSA-N -1 0 339.819 3.207 20 30 EGEDRM C#CCCCCCC(=O)N1CCC(c2ncc(C(=O)[O-])s2)CC1 ZINC001588440894 964046170 /nfs/dbraw/zinc/04/61/70/964046170.db2.gz WOJNADOOQCUHDC-UHFFFAOYSA-N -1 0 334.441 3.131 20 30 EGEDRM C=CCCC(=O)N1CC[C@@H](C(=O)[O-])c2cc(Br)ccc21 ZINC000902324230 969535223 /nfs/dbraw/zinc/53/52/23/969535223.db2.gz BDGOWZBAJXUZEX-LLVKDONJSA-N -1 0 338.201 3.320 20 30 EGEDRM C[C@H](CC(=O)[O-])NC(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC001574003678 969840756 /nfs/dbraw/zinc/84/07/56/969840756.db2.gz DFMJUQLJFSCMBH-GFCCVEGCSA-N -1 0 340.404 3.302 20 30 EGEDRM C=CCOc1cccc(NC(=O)N2CCC[C@H](CCC(=O)[O-])C2)c1 ZINC001609636916 970432312 /nfs/dbraw/zinc/43/23/12/970432312.db2.gz UWHCRMBOPZPNJG-CQSZACIVSA-N -1 0 332.400 3.360 20 30 EGEDRM Cc1cc(C(=O)[O-])cc(C(=O)Nc2nc3c(cc2C#N)C[C@H](C)CC3)c1 ZINC001605141203 972817542 /nfs/dbraw/zinc/81/75/42/972817542.db2.gz RZJSXIILGANGMH-LLVKDONJSA-N -1 0 349.390 3.337 20 30 EGEDRM N#Cc1csc(CNc2cc(C(=O)[O-])ccc2Br)n1 ZINC001605626852 973959900 /nfs/dbraw/zinc/95/99/00/973959900.db2.gz PSSLJBJFFMGZEI-UHFFFAOYSA-N -1 0 338.186 3.088 20 30 EGEDRM CC(C)c1cccc(N(CCO)Cc2cccc(C(=O)[O-])c2C#N)c1 ZINC001591991321 976617055 /nfs/dbraw/zinc/61/70/55/976617055.db2.gz AAURJWOQBCEBFR-UHFFFAOYSA-N -1 0 338.407 3.379 20 30 EGEDRM C[C@H](CC1(C#N)CCOCC1)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC001592459497 978178935 /nfs/dbraw/zinc/17/89/35/978178935.db2.gz MIMUDEAYJJQOLE-LSDHHAIUSA-N -1 0 330.428 3.461 20 30 EGEDRM O=C([O-])COc1ccc(/C=C/C(=O)c2cnn(-c3ccccc3)c2)cc1 ZINC000746347402 978682384 /nfs/dbraw/zinc/68/23/84/978682384.db2.gz IWOSLDCKOBNNQJ-DHZHZOJOSA-N -1 0 348.358 3.232 20 30 EGEDRM COC(=O)c1ccc(NN=C(C)c2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC000756897819 978699951 /nfs/dbraw/zinc/69/99/51/978699951.db2.gz QCDSSGYODWPJAG-UHFFFAOYSA-N -1 0 342.351 3.016 20 30 EGEDRM COc1ccc(C(C)N=Nc2ccc(C(=O)[O-])cc2OC)cc1OC ZINC000756899125 978700470 /nfs/dbraw/zinc/70/04/70/978700470.db2.gz QYCWVUIBMFKZHT-UHFFFAOYSA-N -1 0 344.367 3.247 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1N=NC[C@H]1CCOc2ccccc21 ZINC000756899286 978701015 /nfs/dbraw/zinc/70/10/15/978701015.db2.gz UQBWWDSCHPNDHR-CYBMUJFWSA-N -1 0 326.352 3.357 20 30 EGEDRM COc1ccc(-c2ccncc2)cc1CN=Nc1ccc(C(=O)[O-])cn1 ZINC000774396960 978746782 /nfs/dbraw/zinc/74/67/82/978746782.db2.gz SYZSYFKGIQBHRH-UHFFFAOYSA-N -1 0 348.362 3.296 20 30 EGEDRM CCc1cnccc1C(=O)/C=C/c1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC000794699936 978817492 /nfs/dbraw/zinc/81/74/92/978817492.db2.gz DGSRHVKRTASLQR-YSKGHYERSA-N -1 0 325.364 3.392 20 30 EGEDRM O=C([O-])COc1ccc(/C=C2/Oc3cccc(Cl)c3C2=O)cc1 ZINC000811697770 978854882 /nfs/dbraw/zinc/85/48/82/978854882.db2.gz GAVOMNYPLDVDSC-RIYZIHGNSA-N -1 0 330.723 3.420 20 30 EGEDRM Cc1ccc(NC(=S)NN=C2CC[C@H](CC(=O)[O-])[C@@H]2C)cc1C ZINC000814713374 978875405 /nfs/dbraw/zinc/87/54/05/978875405.db2.gz MMYNDHTUYMMXDI-QWHCGFSZSA-N -1 0 333.457 3.467 20 30 EGEDRM CC(=NN=c1[nH]c2cc(F)c(F)cc2[nH]1)c1cc(C(=O)[O-])cs1 ZINC000814795832 978885912 /nfs/dbraw/zinc/88/59/12/978885912.db2.gz IGWLLHCKBOZBNJ-UHFFFAOYSA-N -1 0 336.323 3.437 20 30 EGEDRM COC(=O)c1ccc(N=NC2CC[C@H](CC(=O)[O-])[C@H]2C)cc1Cl ZINC000814902299 978897250 /nfs/dbraw/zinc/89/72/50/978897250.db2.gz RZGWPJZWYKWJFH-NXEZZACHSA-N -1 0 338.791 3.415 20 30 EGEDRM CC[C@](C)(C#N)C(=O)Nc1nc(-c2ccccc2)c(CC(=O)[O-])s1 ZINC001594778692 981780502 /nfs/dbraw/zinc/78/05/02/981780502.db2.gz YYNVZVCPNRIYKA-QGZVFWFLSA-N -1 0 343.408 3.316 20 30 EGEDRM CCCC[C@H](ON=C(C)C)C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC001595651061 982016582 /nfs/dbraw/zinc/01/65/82/982016582.db2.gz BTTPHPLNPMKUSU-INIZCTEOSA-N -1 0 334.416 3.015 20 30 EGEDRM C=CCCC[C@@H](NC(=O)[C@H](C)Cc1cncc2ccccc21)C(=O)[O-] ZINC000910921618 982165003 /nfs/dbraw/zinc/16/50/03/982165003.db2.gz DBBCBLYUTXRHAE-RDTXWAMCSA-N -1 0 340.423 3.339 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1cccc([C@@H]2CCCOC2)c1)C(=O)[O-] ZINC000910921794 982165409 /nfs/dbraw/zinc/16/54/09/982165409.db2.gz GCVXLLUNOWOPHH-IAGOWNOFSA-N -1 0 331.412 3.120 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1cn(CC(C)C)nc1C(F)F)C(=O)[O-] ZINC000910926471 982167181 /nfs/dbraw/zinc/16/71/81/982167181.db2.gz TZLXBSOOMKRDHY-LBPRGKRZSA-N -1 0 343.374 3.016 20 30 EGEDRM C#CCC1(C(=O)N2CC[C@H](c3ncc(C(=O)[O-])s3)C2)CCCCC1 ZINC000911040593 982206650 /nfs/dbraw/zinc/20/66/50/982206650.db2.gz SLSPYBMVODFSLR-ZDUSSCGKSA-N -1 0 346.452 3.131 20 30 EGEDRM CCCCCCCCCCNC(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001595705424 982285484 /nfs/dbraw/zinc/28/54/84/982285484.db2.gz ZOHAKQYPUFHNMR-GJZGRUSLSA-N -1 0 328.453 3.011 20 30 EGEDRM CCCCCCCS(=O)(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC001595708958 982288743 /nfs/dbraw/zinc/28/87/43/982288743.db2.gz NNLRRTOXWJBBDX-CQSZACIVSA-N -1 0 333.494 3.109 20 30 EGEDRM CCCN(C(=O)c1ccc(C(=O)[O-])cc1F)c1snc(C)c1C#N ZINC001595826452 982710240 /nfs/dbraw/zinc/71/02/40/982710240.db2.gz GVSRRGSKKLRROR-UHFFFAOYSA-N -1 0 347.371 3.217 20 30 EGEDRM CCCc1c(C(=O)[C@H](C#N)c2nc(C)cs2)[nH]c(C)c1C(=O)[O-] ZINC001596029052 983293953 /nfs/dbraw/zinc/29/39/53/983293953.db2.gz GFVAHQKLVHQWJI-NSHDSACASA-N -1 0 331.397 3.229 20 30 EGEDRM C#C[C@H](NC(=O)N1CCC(CCC(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC001588372484 983331135 /nfs/dbraw/zinc/33/11/35/983331135.db2.gz LSXSHCSQLMSPPL-INIZCTEOSA-N -1 0 348.830 3.301 20 30 EGEDRM C#C[C@H](NC(=O)Nc1ccc(OCCC(=O)[O-])cc1)c1ccccc1 ZINC001588374106 983341523 /nfs/dbraw/zinc/34/15/23/983341523.db2.gz OPAKSCMZSOXRME-KRWDZBQOSA-N -1 0 338.363 3.036 20 30 EGEDRM C#C[C@H](NC(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1)C(C)(C)C ZINC001588374162 983341712 /nfs/dbraw/zinc/34/17/12/983341712.db2.gz PSHLWQJAZROMDK-KBPBESRZSA-N -1 0 336.819 3.203 20 30 EGEDRM C#C[C@H](NC(=O)Nc1ccc(F)c(C(=O)[O-])c1C)c1ccc(F)cc1 ZINC001588374332 983343498 /nfs/dbraw/zinc/34/34/98/983343498.db2.gz UNXWQQJIOUKGEF-AWEZNQCLSA-N -1 0 344.317 3.467 20 30 EGEDRM C#C[C@H](NC(=O)c1ccc(/C=C\C(=O)[O-])o1)c1ccc(Cl)cc1F ZINC001588377550 983357367 /nfs/dbraw/zinc/35/73/67/983357367.db2.gz MWEVYRGQVUNVFH-PODYEWJSSA-N -1 0 347.729 3.274 20 30 EGEDRM C#CCCOc1ccc(C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)cc1 ZINC001588455043 983478422 /nfs/dbraw/zinc/47/84/22/983478422.db2.gz AYVBWHANCCTVIC-INIZCTEOSA-N -1 0 349.386 3.307 20 30 EGEDRM C#CCCOc1ccc(C(=O)O[C@H](C)c2cc(C(=O)[O-])co2)cc1 ZINC001588458304 983483247 /nfs/dbraw/zinc/48/32/47/983483247.db2.gz MJBUFLPOWLHHRW-GFCCVEGCSA-N -1 0 328.320 3.298 20 30 EGEDRM CCN(C(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-])[C@H](C)c1ccc(C#N)cc1 ZINC001596156359 983515393 /nfs/dbraw/zinc/51/53/93/983515393.db2.gz XMRAMEQDNHVPRP-XYPHTWIQSA-N -1 0 328.412 3.359 20 30 EGEDRM C#CCOc1cccc(-c2noc(-c3ccc(C(=O)[O-])s3)n2)c1 ZINC001588497793 983541666 /nfs/dbraw/zinc/54/16/66/983541666.db2.gz CNJRYBRXYFVILL-UHFFFAOYSA-N -1 0 326.333 3.175 20 30 EGEDRM C#Cc1ccc(NC(=O)NCC2(C(=O)[O-])CCCCC2)c(Cl)c1 ZINC001588518278 983569087 /nfs/dbraw/zinc/56/90/87/983569087.db2.gz ZIJLZUVUHNADQA-UHFFFAOYSA-N -1 0 334.803 3.478 20 30 EGEDRM C=C(Br)CN1CCC[C@@H]1c1nc(C(=O)[O-])c(C)s1 ZINC001588529436 983581446 /nfs/dbraw/zinc/58/14/46/983581446.db2.gz YXENALUCGGVLPK-SECBINFHSA-N -1 0 331.235 3.195 20 30 EGEDRM C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001588536085 983592185 /nfs/dbraw/zinc/59/21/85/983592185.db2.gz OKDJQARQQSKGPE-QMTHXVAHSA-N -1 0 338.791 3.141 20 30 EGEDRM C=C(C)CN(Cc1ccc(/C=C\C(=O)[O-])o1)Cc1ccc(CO)o1 ZINC001588567937 983648466 /nfs/dbraw/zinc/64/84/66/983648466.db2.gz WTQVSVANNZXRNM-FPLPWBNLSA-N -1 0 331.368 3.041 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N1CCCC[C@@H]1c1nc2ccccc2o1 ZINC001588614928 983709075 /nfs/dbraw/zinc/70/90/75/983709075.db2.gz DYNKSQLPMOYDMP-CQSZACIVSA-N -1 0 328.368 3.302 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(OCc2ccccn2)c(F)c1 ZINC001588633196 983748043 /nfs/dbraw/zinc/74/80/43/983748043.db2.gz DUQAQDZCGOLUBJ-UHFFFAOYSA-N -1 0 344.342 3.159 20 30 EGEDRM C=C[C@H](C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21)c1ccccc1 ZINC001588661091 983785849 /nfs/dbraw/zinc/78/58/49/983785849.db2.gz DQDDKNAENTZSRF-XLAORIBOSA-N -1 0 327.424 3.448 20 30 EGEDRM C=CCC(C)(C)C(=O)OCC(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC001588736223 984023203 /nfs/dbraw/zinc/02/32/03/984023203.db2.gz FHFZEFAMZJBSTK-UHFFFAOYSA-N -1 0 339.413 3.147 20 30 EGEDRM C=CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC001588744478 984042543 /nfs/dbraw/zinc/04/25/43/984042543.db2.gz MMGUEHMRXZUNCW-GVDBMIGSSA-N -1 0 330.428 3.116 20 30 EGEDRM C=CCC1(NC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)CCOCC1 ZINC001588767067 984127615 /nfs/dbraw/zinc/12/76/15/984127615.db2.gz HCPMAZHRVVGXGO-UHFFFAOYSA-N -1 0 346.427 3.296 20 30 EGEDRM C=CC[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)C1 ZINC001588772686 984144691 /nfs/dbraw/zinc/14/46/91/984144691.db2.gz LPTCUZAVXNXFCC-NSHDSACASA-N -1 0 343.832 3.015 20 30 EGEDRM C=CC[C@H]1CCN(C(=O)Nc2cc(C(=O)[O-])cc3cccnc32)C1 ZINC001588773205 984147045 /nfs/dbraw/zinc/14/70/45/984147045.db2.gz XIECENRGVLWGSQ-LBPRGKRZSA-N -1 0 325.368 3.363 20 30 EGEDRM C=CC[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)C1 ZINC001588773257 984147772 /nfs/dbraw/zinc/14/77/72/984147772.db2.gz YQKFSUZCDFZTEV-NSHDSACASA-N -1 0 343.832 3.015 20 30 EGEDRM C=CCC[C@H](C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1)c1ccccc1 ZINC001588777133 984155346 /nfs/dbraw/zinc/15/53/46/984155346.db2.gz URFPMGOEDPKLSV-INIZCTEOSA-N -1 0 341.411 3.391 20 30 EGEDRM C=CCCC[C@H](NC(=O)CCc1c[nH]c2cc(C)ccc12)C(=O)[O-] ZINC001588788841 984193896 /nfs/dbraw/zinc/19/38/96/984193896.db2.gz PKQWUDABVYOGGX-INIZCTEOSA-N -1 0 328.412 3.335 20 30 EGEDRM C=CCCC[C@@H](NC(=O)Cc1c(C)nc2ccccc2c1C)C(=O)[O-] ZINC001588789101 984196903 /nfs/dbraw/zinc/19/69/03/984196903.db2.gz YEQHHIKTHOWHGI-GOSISDBHSA-N -1 0 340.423 3.320 20 30 EGEDRM C=CCCC[C@@H](NC(=O)/C=C(/CC)c1ccc(OC)cc1)C(=O)[O-] ZINC001588790247 984205171 /nfs/dbraw/zinc/20/51/71/984205171.db2.gz UESMNFWIOZTEOT-LKBMAGLMSA-N -1 0 331.412 3.414 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1cc2ccnc(Cl)c2s1)C(=O)[O-] ZINC001588793023 984215079 /nfs/dbraw/zinc/21/50/79/984215079.db2.gz RFDAUHBFRCWTPR-SNVBAGLBSA-N -1 0 338.816 3.489 20 30 EGEDRM C=CCCCCCNC(=O)N[C@@H]1CCSC2(CC(C(=O)[O-])C2)C1 ZINC001588800066 984244083 /nfs/dbraw/zinc/24/40/83/984244083.db2.gz YXCBQJBCYWBCNK-XOYHFGRZSA-N -1 0 340.489 3.161 20 30 EGEDRM C=CCCSCCNC(=O)Nc1ccc2c(c1)[nH]cc2C(=O)[O-] ZINC001588814557 984270983 /nfs/dbraw/zinc/27/09/83/984270983.db2.gz DNWCYRMBCQSKRI-UHFFFAOYSA-N -1 0 333.413 3.297 20 30 EGEDRM C=CCN(CC1CCCCC1)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC001588824261 984298076 /nfs/dbraw/zinc/29/80/76/984298076.db2.gz ZTBDDCYJTCCRBY-UHFFFAOYSA-N -1 0 348.447 3.303 20 30 EGEDRM C=CCNC(=O)Nc1ccc(N[C@@H](C(=O)[O-])c2ccsc2)cc1 ZINC001588844190 984356547 /nfs/dbraw/zinc/35/65/47/984356547.db2.gz SIDDZOUUFSJFNG-CQSZACIVSA-N -1 0 331.397 3.293 20 30 EGEDRM C=CCNC(=O)c1ccc(NCc2c3ccccc3[nH]c2C(=O)[O-])cc1 ZINC001588845561 984363957 /nfs/dbraw/zinc/36/39/57/984363957.db2.gz WXZVYRGPUHBQRW-UHFFFAOYSA-N -1 0 349.390 3.394 20 30 EGEDRM C=CC[S@](=O)(=NC(=O)Cc1ccccc1C(=O)[O-])c1ccccc1 ZINC001588878609 984455014 /nfs/dbraw/zinc/45/50/14/984455014.db2.gz FRYYRCRLEMDDCC-XMMPIXPASA-N -1 0 343.404 3.167 20 30 EGEDRM C=CCOc1cccnc1C(=O)Nc1ccc2c(c1)[nH]cc2C(=O)[O-] ZINC001588878978 984456217 /nfs/dbraw/zinc/45/62/17/984456217.db2.gz PXKZLPPOQRYYAA-UHFFFAOYSA-N -1 0 337.335 3.078 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1cscc1C#N ZINC001588885736 984469336 /nfs/dbraw/zinc/46/93/36/984469336.db2.gz XTPYIVNBCNLGED-UHFFFAOYSA-N -1 0 343.360 3.274 20 30 EGEDRM C=CCn1c(-c2ccccc2C)nnc1N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001588889638 984480773 /nfs/dbraw/zinc/48/07/73/984480773.db2.gz ZOGKOKRHVQOPCP-LJQANCHMSA-N -1 0 340.427 3.131 20 30 EGEDRM C=CCn1c(CC[C@H](C)CCC)nnc1N1CCC(C(=O)[O-])CC1 ZINC001588896917 984505581 /nfs/dbraw/zinc/50/55/81/984505581.db2.gz GFQKZZIATNTWFU-CQSZACIVSA-N -1 0 334.464 3.134 20 30 EGEDRM C=CCn1cc2ccc(NC(=O)c3ccsc3CC(=O)[O-])cc2n1 ZINC001588909381 984543624 /nfs/dbraw/zinc/54/36/24/984543624.db2.gz RPJKPULRCWMEMX-UHFFFAOYSA-N -1 0 341.392 3.163 20 30 EGEDRM C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001588914275 984557975 /nfs/dbraw/zinc/55/79/75/984557975.db2.gz SYQYRPGWVWYBDG-SJORKVTESA-N -1 0 340.379 3.393 20 30 EGEDRM CC#CCCCC(=O)NCc1cccc(-c2nc(C(=O)[O-])cs2)c1 ZINC001588926907 984595237 /nfs/dbraw/zinc/59/52/37/984595237.db2.gz CBULMXYSXBNBGR-UHFFFAOYSA-N -1 0 342.420 3.318 20 30 EGEDRM CC#CCNC(=O)Nc1ccc(Cl)cc1SCCC(=O)[O-] ZINC001588932585 984609385 /nfs/dbraw/zinc/60/93/85/984609385.db2.gz ZDAKIRQIKWGRFE-UHFFFAOYSA-N -1 0 326.805 3.052 20 30 EGEDRM CC(=NNC(=S)Nc1cccc(C)c1C)c1ncc(C(=O)[O-])s1 ZINC001589016836 984998301 /nfs/dbraw/zinc/99/83/01/984998301.db2.gz LZEGWVHYNVIOJS-UHFFFAOYSA-N -1 0 348.453 3.169 20 30 EGEDRM Cc1c(Br)ccc(C(=O)[O-])c1NC(=O)CC1(C#N)CC1 ZINC001599970771 986002238 /nfs/dbraw/zinc/00/22/38/986002238.db2.gz CIGUFGDXHGFWLC-UHFFFAOYSA-N -1 0 337.173 3.088 20 30 EGEDRM Cc1c(C#N)cccc1C(=O)N1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC001599973386 986047677 /nfs/dbraw/zinc/04/76/77/986047677.db2.gz QNQKQVPGOHRXND-ROUUACIJSA-N -1 0 334.375 3.297 20 30 EGEDRM Cc1c(C#N)cccc1NC(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC001599974879 986072918 /nfs/dbraw/zinc/07/29/18/986072918.db2.gz LTEUBONGXJSTEB-IBGZPJMESA-N -1 0 337.379 3.031 20 30 EGEDRM C[C@H](C#N)Oc1ccccc1NC(=O)CCc1ccccc1C(=O)[O-] ZINC001589334737 986205041 /nfs/dbraw/zinc/20/50/41/986205041.db2.gz IMNXFSBQUPHVRU-CYBMUJFWSA-N -1 0 338.363 3.247 20 30 EGEDRM CCOc1cc(C#N)cc(Cl)c1OC(=O)c1cc(C(=O)[O-])co1 ZINC001596993639 986285769 /nfs/dbraw/zinc/28/57/69/986285769.db2.gz OWGSRJXYJZHVLY-UHFFFAOYSA-N -1 0 335.699 3.121 20 30 EGEDRM C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1Cc1cc(C#N)cs1 ZINC001594570261 986388252 /nfs/dbraw/zinc/38/82/52/986388252.db2.gz QMNRFFLFTYCBOK-ZDUSSCGKSA-N -1 0 341.436 3.029 20 30 EGEDRM CCOc1ccc(C[C@H](CNc2cc(C#N)cc(C)n2)C(=O)[O-])cc1 ZINC001597095773 986696346 /nfs/dbraw/zinc/69/63/46/986696346.db2.gz ODXZFJRPMIUZPX-MRXNPFEDSA-N -1 0 339.395 3.016 20 30 EGEDRM C[C@@H]1OCC[C@H]1C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC001594645501 986838896 /nfs/dbraw/zinc/83/88/96/986838896.db2.gz SKQLGBULLCPWJK-IFXJQAMLSA-N -1 0 349.386 3.148 20 30 EGEDRM CCOc1ccc2c(c1)CN(Cc1cccc(C(=O)[O-])c1C#N)CC2 ZINC001597143007 986895476 /nfs/dbraw/zinc/89/54/76/986895476.db2.gz QNSDUPRIVZSACW-UHFFFAOYSA-N -1 0 336.391 3.213 20 30 EGEDRM CC(C)(C#N)CC(=O)N[C@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001589553690 987292255 /nfs/dbraw/zinc/29/22/55/987292255.db2.gz GSXOEEJOOPZZFC-GFCCVEGCSA-N -1 0 342.317 3.277 20 30 EGEDRM CC(C)(C(=O)[O-])N(Cc1ccccc1)C(=O)c1ccc(C#N)cc1F ZINC001589616481 987480865 /nfs/dbraw/zinc/48/08/65/987480865.db2.gz DYYFXABRTJABLO-UHFFFAOYSA-N -1 0 340.354 3.203 20 30 EGEDRM CC(C)(C(=O)[O-])[C@H]1CCCN(c2ncc(C#N)c3ccsc32)C1 ZINC001589616906 987486792 /nfs/dbraw/zinc/48/67/92/987486792.db2.gz JKTKAFJVOKVAQD-LBPRGKRZSA-N -1 0 329.425 3.495 20 30 EGEDRM CC(C)(C(=O)[O-])c1cccc(OC(=O)CCc2ccc(C#N)cc2)c1 ZINC001589649887 987595396 /nfs/dbraw/zinc/59/53/96/987595396.db2.gz CIUHBTVSHHODMJ-UHFFFAOYSA-N -1 0 337.375 3.459 20 30 EGEDRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC001589700702 987792654 /nfs/dbraw/zinc/79/26/54/987792654.db2.gz OUOWAANRXWEBMQ-ZDUSSCGKSA-N -1 0 341.329 3.063 20 30 EGEDRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)CCCCOc1cccc(C#N)c1 ZINC001589701374 987796740 /nfs/dbraw/zinc/79/67/40/987796740.db2.gz YUWVMSRAQDGLID-INIZCTEOSA-N -1 0 346.427 3.113 20 30 EGEDRM CC(C)(C)C1CCC(C#N)(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])CC1 ZINC001589725968 987903603 /nfs/dbraw/zinc/90/36/03/987903603.db2.gz CUNAPCGKICVHKE-UARSRXHTSA-N -1 0 334.460 3.492 20 30 EGEDRM CC(C)(C)C1CCC(C#N)(NC(=O)c2ccc(C(=O)[O-])cn2)CC1 ZINC001589726613 987910588 /nfs/dbraw/zinc/91/05/88/987910588.db2.gz NBIKUQKEOQNDNS-UHFFFAOYSA-N -1 0 329.400 3.008 20 30 EGEDRM CCc1ccc(C#CC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2O)cc1 ZINC001597494709 988037427 /nfs/dbraw/zinc/03/74/27/988037427.db2.gz HAQPYEOZUKKUCC-UHFFFAOYSA-N -1 0 343.766 3.296 20 30 EGEDRM CSc1ccc2c(c1)CC/C(=C/c1c(C)n(C)nc1C(=O)[O-])C2=O ZINC001599823069 988548781 /nfs/dbraw/zinc/54/87/81/988548781.db2.gz WIBCMTQLONAEQO-XFXZXTDPSA-N -1 0 342.420 3.361 20 30 EGEDRM C[C@@H](NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)C(=O)[O-] ZINC001599840717 988822129 /nfs/dbraw/zinc/82/21/29/988822129.db2.gz OROXKSBJWUBZEH-SNVBAGLBSA-N -1 0 344.754 3.207 20 30 EGEDRM CN(C(=O)c1ccc(C#N)c(Cl)c1)[C@@H](C(=O)[O-])c1ccccc1 ZINC001598083324 990409850 /nfs/dbraw/zinc/40/98/50/990409850.db2.gz RPEKXGQRDQXYDG-OAHLLOKOSA-N -1 0 328.755 3.110 20 30 EGEDRM CC(C)(NC(=O)Nc1ccc(C(=O)[O-])c(F)c1)c1cccc(C#N)c1 ZINC001590854973 990737617 /nfs/dbraw/zinc/73/76/17/990737617.db2.gz QMGQEWHFLGIQTG-UHFFFAOYSA-N -1 0 341.342 3.452 20 30 EGEDRM CN(C)c1ccc(OC(=O)[C@@]2(C#N)CC3CCC2CC3)cc1C(=O)[O-] ZINC001598329241 991359858 /nfs/dbraw/zinc/35/98/58/991359858.db2.gz MCKBLFAUAKRXRU-PNQRNNEWSA-N -1 0 342.395 3.076 20 30 EGEDRM CC(C)C[C@@H](CNC(=O)Nc1ccc(C#N)cc1C1CC1)C(=O)[O-] ZINC001591150572 991892281 /nfs/dbraw/zinc/89/22/81/991892281.db2.gz GHSKDMOPSQSFHO-AWEZNQCLSA-N -1 0 329.400 3.304 20 30 EGEDRM CC(C)COC[C@@H](N[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccco1 ZINC001591391399 992452754 /nfs/dbraw/zinc/45/27/54/992452754.db2.gz ZJIDNLLTFAZTMY-AEFFLSMTSA-N -1 0 342.395 3.280 20 30 EGEDRM CN(Cc1ccc(C#N)cc1)c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC001598509289 992548412 /nfs/dbraw/zinc/54/84/12/992548412.db2.gz OEVNLIPYRDKSTP-CLFYSBASSA-N -1 0 337.335 3.201 20 30 EGEDRM C[C@@H](Nc1nc(C(F)(F)F)ccc1C#N)c1ncc(C(=O)[O-])s1 ZINC001593374164 995072437 /nfs/dbraw/zinc/07/24/37/995072437.db2.gz PGGBABLECLFUMP-ZCFIWIBFSA-N -1 0 342.302 3.300 20 30 EGEDRM C[C@@H](Oc1ccccc1C#N)C(=O)Oc1cc(Cl)ccc1C(=O)[O-] ZINC001593641344 995950781 /nfs/dbraw/zinc/95/07/81/995950781.db2.gz GQWDRTHWPBRRRD-SNVBAGLBSA-N -1 0 345.738 3.283 20 30 EGEDRM CC(C)(C(=O)[O-])[C@H](NC(=O)N1CCC[C@](C)(C#N)C1)c1ccccc1 ZINC001593739938 996354730 /nfs/dbraw/zinc/35/47/30/996354730.db2.gz MSYZHNHUUIKNIC-DNVCBOLYSA-N -1 0 343.427 3.174 20 30 EGEDRM CC1(C)C(=O)Nc2ccc(C(=O)/C=C\c3cc(C(=O)[O-])co3)cc21 ZINC001593823659 996566838 /nfs/dbraw/zinc/56/68/38/996566838.db2.gz JRTDXJPHBGISFE-XQRVVYSFSA-N -1 0 325.320 3.104 20 30 EGEDRM COc1cc(C)c(C=NNc2ccc(C)c(C(=O)[O-])c2)cc1OC ZINC001599391053 997036929 /nfs/dbraw/zinc/03/69/29/997036929.db2.gz VUCNQDRGQVMAEM-UHFFFAOYSA-N -1 0 328.368 3.465 20 30 EGEDRM COc1cc2c(c(/C=C\C(=O)c3cc(C(=O)[O-])co3)c1)O[C@H](C)C2 ZINC001599401110 997215974 /nfs/dbraw/zinc/21/59/74/997215974.db2.gz XMIUVUWZWBQLCJ-UMBAGQNISA-N -1 0 328.320 3.206 20 30 EGEDRM COc1ccc([C@H](NCC#Cc2ccccc2)C(=O)[O-])cc1Cl ZINC001599525690 997554089 /nfs/dbraw/zinc/55/40/89/997554089.db2.gz AMNMSOHRVMRDBY-KRWDZBQOSA-N -1 0 329.783 3.116 20 30 EGEDRM COC(=O)c1cc(CSCc2cccc(C#N)c2)cc(C(=O)[O-])c1 ZINC001598934864 997844961 /nfs/dbraw/zinc/84/49/61/997844961.db2.gz VALFWOWQACIPBP-UHFFFAOYSA-N -1 0 341.388 3.476 20 30 EGEDRM CO[C@H](CNc1ccc(C(=O)[O-])nc1C#N)c1ccccc1Cl ZINC001599056739 999235462 /nfs/dbraw/zinc/23/54/62/999235462.db2.gz YSUUOGTXTASTAP-OAHLLOKOSA-N -1 0 331.759 3.104 20 30 EGEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1cc(Cl)cc(Cl)c1O ZINC000350731100 141263963 /nfs/dbraw/zinc/26/39/63/141263963.db2.gz YLWGCAANNCBGAT-UHFFFAOYSA-N -1 0 343.191 3.371 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)cc1 ZINC000340741404 163658646 /nfs/dbraw/zinc/65/86/46/163658646.db2.gz PIUDKGKTJBRFAZ-UHFFFAOYSA-N -1 0 328.727 3.291 20 30 EGEDRM Cc1ccc2nc(C)c(C(=O)N=c3[n-]n(C(C)C)cc3C#N)cc2c1 ZINC000354908685 166060591 /nfs/dbraw/zinc/06/05/91/166060591.db2.gz DTJKACQFSNHSDY-UHFFFAOYSA-N -1 0 333.395 3.175 20 30 EGEDRM N#Cc1cc([N-]S(=O)(=O)c2cncc(Cl)c2)ccc1Cl ZINC000350297830 165026488 /nfs/dbraw/zinc/02/64/88/165026488.db2.gz AAMAWNRSJGQUOP-UHFFFAOYSA-N -1 0 328.180 3.061 20 30 EGEDRM N#Cc1c(F)ccc(CN=c2[n-]nc(Cc3ccccc3)o2)c1Cl ZINC000359277056 167112847 /nfs/dbraw/zinc/11/28/47/167112847.db2.gz MVYZMRXIQHJVTO-UHFFFAOYSA-N -1 0 342.761 3.359 20 30 EGEDRM Cc1cccc(S(=O)(=O)[N-]C(=O)C=Cc2cccc(C#N)c2)c1 ZINC000048511738 270037519 /nfs/dbraw/zinc/03/75/19/270037519.db2.gz YGUZAAWFJSHWLR-CMDGGOBGSA-N -1 0 326.377 3.225 20 30 EGEDRM Cc1cccc(S(=O)(=O)[N-]c2ccc([C@H]3CCOC3)cc2)c1C#N ZINC000295184673 270042591 /nfs/dbraw/zinc/04/25/91/270042591.db2.gz JOYFQVXVHJXZPU-HNNXBMFYSA-N -1 0 342.420 3.171 20 30 EGEDRM N#Cc1cccc(S(=O)(=O)[N-]c2cnccc2-c2ccccc2)c1 ZINC000432343988 270050936 /nfs/dbraw/zinc/05/09/36/270050936.db2.gz BFWPTSNKWAHAMR-UHFFFAOYSA-N -1 0 335.388 3.421 20 30 EGEDRM CC(C)COc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435501724 270051246 /nfs/dbraw/zinc/05/12/46/270051246.db2.gz NAMPQKNFVUIPCA-UHFFFAOYSA-N -1 0 336.438 3.455 20 30 EGEDRM CCCN(Cc1ccc(C#N)cc1)C(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000448156878 267014607 /nfs/dbraw/zinc/01/46/07/267014607.db2.gz PXOSYHSTQZHJJN-UHFFFAOYSA-N -1 0 335.411 3.092 20 30 EGEDRM CCCOc1ccc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)cc1OC ZINC000435341268 267027875 /nfs/dbraw/zinc/02/78/75/267027875.db2.gz VHOSEEZQDYWKNI-XFXZXTDPSA-N -1 0 339.395 3.308 20 30 EGEDRM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000439250655 267354895 /nfs/dbraw/zinc/35/48/95/267354895.db2.gz UNDIFHAODHSLOB-UHFFFAOYSA-N -1 0 341.845 3.424 20 30 EGEDRM Cc1cc(CSc2n[n-]c(=NCC(F)(F)F)s2)ccc1C#N ZINC000447292265 268001504 /nfs/dbraw/zinc/00/15/04/268001504.db2.gz LUJADLQUDNQHJQ-UHFFFAOYSA-N -1 0 344.387 3.407 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2ccc(OCC(C)C)nc2)ccc1C#N ZINC000435734176 268019684 /nfs/dbraw/zinc/01/96/84/268019684.db2.gz WBZAVCXAYVSESC-UHFFFAOYSA-N -1 0 345.424 3.097 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2nc3c(s2)CCCCC3)ccc1C#N ZINC000446807722 268020172 /nfs/dbraw/zinc/02/01/72/268020172.db2.gz DLBUAIBANGTXPK-UHFFFAOYSA-N -1 0 347.465 3.393 20 30 EGEDRM Cc1ccc2cccc([N-]S(=O)(=O)c3ccc(C#N)c(F)c3)c2n1 ZINC000427193021 268047151 /nfs/dbraw/zinc/04/71/51/268047151.db2.gz QDODEIGHZFHOIA-UHFFFAOYSA-N -1 0 341.367 3.355 20 30 EGEDRM N#Cc1ccc(C(=O)[O-])nc1/C=C/c1cnn(Cc2ccc(F)cc2)c1 ZINC000187207100 268049021 /nfs/dbraw/zinc/04/90/21/268049021.db2.gz XTICKIIZSDDZTH-XVNBXDOJSA-N -1 0 348.337 3.206 20 30 EGEDRM N#Cc1c(F)cccc1CSc1nc(=O)cc([O-])n1C1CCCC1 ZINC000488226741 268164284 /nfs/dbraw/zinc/16/42/84/268164284.db2.gz WLRVNIRSYLBREJ-UHFFFAOYSA-N -1 0 345.399 3.367 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2nnc(/C=C\c3ccco3)s2)cc1[O-] ZINC000442669202 268207519 /nfs/dbraw/zinc/20/75/19/268207519.db2.gz GJQQJQPOZKKFHR-WAYWQWQTSA-N -1 0 338.348 3.131 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc[nH]3)cc2)s1 ZINC000435503284 268260351 /nfs/dbraw/zinc/26/03/51/268260351.db2.gz CJVVFXAYHKPOBA-UHFFFAOYSA-N -1 0 329.406 3.416 20 30 EGEDRM CCOc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c1 ZINC000183015308 275210011 /nfs/dbraw/zinc/21/00/11/275210011.db2.gz HANMLHVGONOQSW-UHFFFAOYSA-N -1 0 336.800 3.411 20 30 EGEDRM N#Cc1nc(NC(=O)CCCc2csc3ccccc23)[n-]c1C#N ZINC000125201348 307554209 /nfs/dbraw/zinc/55/42/09/307554209.db2.gz BFJBWMJRTIDOPZ-UHFFFAOYSA-N -1 0 335.392 3.329 20 30 EGEDRM CC(C)[C@H]1CCc2ccccc2[C@@H]1NS(=O)(=O)c1ccc(C#N)o1 ZINC000553858607 315285499 /nfs/dbraw/zinc/28/54/99/315285499.db2.gz PDXKPLUKHUQKOX-CRAIPNDOSA-N -1 0 344.436 3.389 20 30 EGEDRM CC(=O)Nc1nc(C([O-])=C(C#N)c2nc(C(C)C)cs2)cs1 ZINC000080449523 454583455 /nfs/dbraw/zinc/58/34/55/454583455.db2.gz HKNOOKGMSSYTKC-VIFPVBQESA-N -1 0 334.426 3.171 20 30 EGEDRM CNc1ccc(C#N)cc1NC(=O)c1cccc(Br)c1[O-] ZINC000557061805 315493983 /nfs/dbraw/zinc/49/39/83/315493983.db2.gz PXUDZJOBPMNPBQ-UHFFFAOYSA-N -1 0 346.184 3.320 20 30 EGEDRM CCc1cc(C#N)c([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)s1 ZINC000572178177 317301972 /nfs/dbraw/zinc/30/19/72/317301972.db2.gz OCMRZTDHARXBJR-JTQLQIEISA-N -1 0 348.449 3.306 20 30 EGEDRM COc1cc([N-]S(=O)(=O)c2ccc(C#N)s2)ccc1Cl ZINC000230348086 456137300 /nfs/dbraw/zinc/13/73/00/456137300.db2.gz YSXZRVPFVNXZRN-UHFFFAOYSA-N -1 0 328.802 3.083 20 30 EGEDRM Cc1sc([C@H]2CCCN2c2ccc(Cl)c(C#N)n2)nc1C(=O)[O-] ZINC000600675886 460565341 /nfs/dbraw/zinc/56/53/41/460565341.db2.gz ORUGYVYDMJSPRA-LLVKDONJSA-N -1 0 348.815 3.411 20 30 EGEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)CC1(C(=O)[O-])CCCC1 ZINC000634895750 460587186 /nfs/dbraw/zinc/58/71/86/460587186.db2.gz MKNPNBAXFGHDPF-UHFFFAOYSA-N -1 0 331.412 3.245 20 30 EGEDRM C=C(C)COc1cccc([N-]S(=O)(=O)c2ccccc2OC)c1 ZINC000066587693 453853409 /nfs/dbraw/zinc/85/34/09/453853409.db2.gz VIVHYCBMZOIUJX-UHFFFAOYSA-N -1 0 333.409 3.451 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)NCCCCc2ccccc2)cc1C#N ZINC000031894168 453857172 /nfs/dbraw/zinc/85/71/72/453857172.db2.gz ZOGIYIQMENLSQT-UHFFFAOYSA-N -1 0 341.436 3.133 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2ccc(OCC(F)(F)F)nc2)n1 ZINC000041516991 453970257 /nfs/dbraw/zinc/97/02/57/453970257.db2.gz ZTLQCLIJDDSBBL-JTQLQIEISA-N -1 0 341.314 3.278 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(F)c(F)c2)n1 ZINC000067896280 453978923 /nfs/dbraw/zinc/97/89/23/453978923.db2.gz NZPMHIKEDOHVQJ-VIFPVBQESA-N -1 0 336.319 3.088 20 30 EGEDRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)c1 ZINC000076839233 454042413 /nfs/dbraw/zinc/04/24/13/454042413.db2.gz TYJSVGRSGYAFBD-UHFFFAOYSA-N -1 0 341.367 3.355 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)Nc2ccc(OC(C)C)cc2)cc1C#N ZINC000077243738 454080703 /nfs/dbraw/zinc/08/07/03/454080703.db2.gz JMAUCTYBONNPQA-UHFFFAOYSA-N -1 0 343.408 3.420 20 30 EGEDRM C[C@@H](CC(=O)Nc1nc(C#N)c(C#N)[n-]1)c1cccc(C(F)(F)F)c1 ZINC000071915897 454256302 /nfs/dbraw/zinc/25/63/02/454256302.db2.gz FQQFDMNFZNFSLP-VIFPVBQESA-N -1 0 347.300 3.304 20 30 EGEDRM N#Cc1cc(Br)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000132556004 454348611 /nfs/dbraw/zinc/34/86/11/454348611.db2.gz CTWLWHFKNNOHRS-UHFFFAOYSA-N -1 0 337.198 3.122 20 30 EGEDRM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c2n[nH]cc21 ZINC000063635298 454432245 /nfs/dbraw/zinc/43/22/45/454432245.db2.gz KIFYPPGTAWCQQO-UHFFFAOYSA-N -1 0 346.799 3.197 20 30 EGEDRM C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000133929523 454483068 /nfs/dbraw/zinc/48/30/68/454483068.db2.gz QAOLDODEGCFZKO-UHFFFAOYSA-N -1 0 337.335 3.000 20 30 EGEDRM COc1ccc(CCC(=O)[N-]S(=O)(=O)c2cccs2)cc1F ZINC000048448015 454490448 /nfs/dbraw/zinc/49/04/48/454490448.db2.gz NYZQATFYDVMBMR-UHFFFAOYSA-N -1 0 343.401 3.174 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2ccc(S(=O)(=O)C(C)C)cc2)n1 ZINC000048788797 454515521 /nfs/dbraw/zinc/51/55/21/454515521.db2.gz PSUFLDGVYXGCDA-AWEZNQCLSA-N -1 0 348.449 3.124 20 30 EGEDRM Cc1cc(Br)oc1C([O-])=C(C#N)c1cc(C)nc(C)n1 ZINC000049408033 454548088 /nfs/dbraw/zinc/54/80/88/454548088.db2.gz KTWDGPQSRYBKKE-JTQLQIEISA-N -1 0 334.173 3.247 20 30 EGEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3cocn3)n2)cc1 ZINC000105762963 454655943 /nfs/dbraw/zinc/65/59/43/454655943.db2.gz HZICWYJISOZJTB-GFCCVEGCSA-N -1 0 325.349 3.297 20 30 EGEDRM CN(C(=O)Cn1[n-]c(C(C)(C)C)c(CCC#N)c1=O)C1CCCCC1 ZINC000153494787 454799391 /nfs/dbraw/zinc/79/93/91/454799391.db2.gz FXHVWOBFUDJHOC-UHFFFAOYSA-N -1 0 346.475 3.133 20 30 EGEDRM CCN(C(=O)c1cccc([N+](=O)[O-])c1[O-])[C@H](C)c1ccc(C#N)cc1 ZINC000154584908 454909813 /nfs/dbraw/zinc/90/98/13/454909813.db2.gz OXIMSXCXVSFNOC-GFCCVEGCSA-N -1 0 339.351 3.395 20 30 EGEDRM CC(=O)c1cccc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC000177991425 454924937 /nfs/dbraw/zinc/92/49/37/454924937.db2.gz IPOXRLNFMTUGLV-UHFFFAOYSA-N -1 0 334.784 3.215 20 30 EGEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(C(=O)[O-])cc1 ZINC000237270487 455166974 /nfs/dbraw/zinc/16/69/74/455166974.db2.gz WPRNVUAEQSPBSF-UHFFFAOYSA-N -1 0 325.364 3.222 20 30 EGEDRM CCCNC(=O)c1cccc(C([O-])=C(C#N)c2nc3ccccc3o2)c1 ZINC000172668782 455169771 /nfs/dbraw/zinc/16/97/71/455169771.db2.gz NKFRJQSYBKSUJD-OAHLLOKOSA-N -1 0 347.374 3.458 20 30 EGEDRM O=C([O-])COc1ccc(/C=C2/COc3c(F)ccc(F)c3C2=O)cc1 ZINC000181474375 455339408 /nfs/dbraw/zinc/33/94/08/455339408.db2.gz JPRISTOSWDJRFI-XFFZJAGNSA-N -1 0 346.285 3.087 20 30 EGEDRM O=C([O-])COc1cccc(/C=C2\COc3c(F)ccc(F)c3C2=O)c1 ZINC000181473136 455339651 /nfs/dbraw/zinc/33/96/51/455339651.db2.gz RKAWTXCVDQBFCB-IZZDOVSWSA-N -1 0 346.285 3.087 20 30 EGEDRM COCCOc1ccc(C#N)cc1NC(=O)c1ccc(Cl)cc1[O-] ZINC000184442548 455382071 /nfs/dbraw/zinc/38/20/71/455382071.db2.gz OQRHWLMAMSOEIH-UHFFFAOYSA-N -1 0 346.770 3.195 20 30 EGEDRM COC(=O)Nc1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)cc1 ZINC000190937414 455409149 /nfs/dbraw/zinc/40/91/49/455409149.db2.gz DVOADIKVOXNCHC-AWEZNQCLSA-N -1 0 346.346 3.298 20 30 EGEDRM CCOc1ccc(N(CCC#N)C(=O)c2c([O-])cccc2F)cc1 ZINC000185100338 455501348 /nfs/dbraw/zinc/50/13/48/455501348.db2.gz PFQZFBAKLKQYQE-UHFFFAOYSA-N -1 0 328.343 3.490 20 30 EGEDRM C=CCCS(=O)(=O)[N-]c1cc(C)n(-c2cccc(Cl)c2)n1 ZINC000182521451 455532032 /nfs/dbraw/zinc/53/20/32/455532032.db2.gz QCGRRHFABRJDNM-UHFFFAOYSA-N -1 0 325.821 3.152 20 30 EGEDRM C=CC1CCN(C(=O)c2nn(-c3ccc(F)cc3C)cc2[O-])CC1 ZINC000176050411 455533077 /nfs/dbraw/zinc/53/30/77/455533077.db2.gz IYKBVVANDYEEBM-UHFFFAOYSA-N -1 0 329.375 3.064 20 30 EGEDRM CC1(C)Cc2cccc(S(=O)(=O)[N-]c3ccccc3C#N)c2O1 ZINC000192621095 455655748 /nfs/dbraw/zinc/65/57/48/455655748.db2.gz GJQPDMWKDKEFDH-UHFFFAOYSA-N -1 0 328.393 3.073 20 30 EGEDRM C=C(C)C[C@H](C)C(=O)N(CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000192864706 455708399 /nfs/dbraw/zinc/70/83/99/455708399.db2.gz HVKSBQXICQTYEB-LBPRGKRZSA-N -1 0 325.355 3.370 20 30 EGEDRM COc1cc(SC)ccc1[N-]S(=O)(=O)c1cccc(C)c1C#N ZINC000193272318 455750054 /nfs/dbraw/zinc/75/00/54/455750054.db2.gz YPBFWMWUUPBXPE-UHFFFAOYSA-N -1 0 348.449 3.398 20 30 EGEDRM CC[C@H](C)CO[N-]C(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000293252302 455779738 /nfs/dbraw/zinc/77/97/38/455779738.db2.gz GDFIHRVWLJYNLT-STQMWFEESA-N -1 0 349.456 3.113 20 30 EGEDRM C[C@@H]1C[C@@H]1c1n[n-]c(=NCc2cn(CCC#N)nc2-c2ccccc2)o1 ZINC000601063756 460695655 /nfs/dbraw/zinc/69/56/55/460695655.db2.gz JBGWCJRFKOZXMY-CJNGLKHVSA-N -1 0 348.410 3.004 20 30 EGEDRM CC(C)n1ncc2ccc([N-]S(=O)(=O)c3ccccc3C#N)cc21 ZINC000195449153 455962449 /nfs/dbraw/zinc/96/24/49/455962449.db2.gz ANVOHULMODTNRC-UHFFFAOYSA-N -1 0 340.408 3.290 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2cccc(N3CCCCC3=O)c2)cc1[O-] ZINC000188291991 456037498 /nfs/dbraw/zinc/03/74/98/456037498.db2.gz NUJDCPOMTMGODZ-UHFFFAOYSA-N -1 0 335.363 3.033 20 30 EGEDRM C=CCC[C@@H](NC(=O)C1(c2ccc(F)cc2F)CCCC1)C(=O)[O-] ZINC000262842541 456062380 /nfs/dbraw/zinc/06/23/80/456062380.db2.gz GZLBFZHPBYUHJO-OAHLLOKOSA-N -1 0 337.366 3.312 20 30 EGEDRM C=CCC[C@H](NC(=O)c1cc(Cl)ccc1OC(F)F)C(=O)[O-] ZINC000262885990 456066078 /nfs/dbraw/zinc/06/60/78/456066078.db2.gz LAHYYJIVXINNHK-JTQLQIEISA-N -1 0 333.718 3.091 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2ccc(F)cc2OCC2CC2)cc1[O-] ZINC000188700448 456116964 /nfs/dbraw/zinc/11/69/64/456116964.db2.gz MIIHQAYTYRYNRR-UHFFFAOYSA-N -1 0 326.327 3.444 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2ccc(F)cc2OCC(F)F)cc1[O-] ZINC000188842664 456150469 /nfs/dbraw/zinc/15/04/69/456150469.db2.gz WLDJUGJILHBWHM-UHFFFAOYSA-N -1 0 336.269 3.299 20 30 EGEDRM N#C[C@@]1(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC12CCCC2 ZINC000297399757 456209529 /nfs/dbraw/zinc/20/95/29/456209529.db2.gz FPMPFRKIVBCOJZ-OAHLLOKOSA-N -1 0 335.747 3.366 20 30 EGEDRM C[C@@]1(C/N=C/c2cc([N+](=O)[O-])ccc2[O-])OCCc2sccc21 ZINC000290483581 456340554 /nfs/dbraw/zinc/34/05/54/456340554.db2.gz HIISHFQHLGAQEE-UWNXQOIWSA-N -1 0 332.381 3.269 20 30 EGEDRM C#CCC1(C(=O)N(C)Cc2nc(=O)c3sccc3[n-]2)CCCCC1 ZINC000276472821 456492304 /nfs/dbraw/zinc/49/23/04/456492304.db2.gz QQIXKPCEVOVHTJ-UHFFFAOYSA-N -1 0 343.452 3.329 20 30 EGEDRM C=CCOc1ccc(C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)cc1 ZINC000327007084 456702557 /nfs/dbraw/zinc/70/25/57/456702557.db2.gz CVWUUBYLDNQDEJ-UHFFFAOYSA-N -1 0 337.375 3.148 20 30 EGEDRM COC(=O)c1ccc(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)s1 ZINC000345396155 456977479 /nfs/dbraw/zinc/97/74/79/456977479.db2.gz MHBKGNNRRJSSOD-SNVBAGLBSA-N -1 0 339.376 3.210 20 30 EGEDRM COc1cc(C)c(Br)cc1C([O-])=C(C#N)c1ccncn1 ZINC000354053397 457033828 /nfs/dbraw/zinc/03/38/28/457033828.db2.gz MIDFZCHPJSDFKU-LLVKDONJSA-N -1 0 346.184 3.046 20 30 EGEDRM CC(C)n1cc(C#N)c(=NC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)[n-]1 ZINC000331071923 457128340 /nfs/dbraw/zinc/12/83/40/457128340.db2.gz UDGRUIDKWWHTHV-PWSUYJOCSA-N -1 0 328.338 3.065 20 30 EGEDRM N#CC(=C([O-])c1csc(Cc2ccccc2F)n1)c1ccncn1 ZINC000354461186 457237738 /nfs/dbraw/zinc/23/77/38/457237738.db2.gz GVVBHTDYTNULBT-GFCCVEGCSA-N -1 0 338.367 3.153 20 30 EGEDRM Cc1cc(C)cc(-c2n[n-]c(=NC(=O)N[C@H]3CCC[C@@H]3C#N)s2)c1 ZINC000331726341 457240568 /nfs/dbraw/zinc/24/05/68/457240568.db2.gz MPLNRDWLOCRXTB-OCCSQVGLSA-N -1 0 341.440 3.058 20 30 EGEDRM Cc1ccc(F)c(S(=O)(=O)[N-]c2cc(C)c(N(C)C)cc2C#N)c1 ZINC000357367041 457474705 /nfs/dbraw/zinc/47/47/05/457474705.db2.gz GCXSJNMWMWWUPJ-UHFFFAOYSA-N -1 0 347.415 3.181 20 30 EGEDRM N#CC1(CS(=O)(=O)[N-]CC(F)(F)c2ccccc2)CCCCC1 ZINC000352724592 457560916 /nfs/dbraw/zinc/56/09/16/457560916.db2.gz HLFIZSFYJKWYPY-UHFFFAOYSA-N -1 0 342.411 3.172 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(SC)o2)n1 ZINC000352742706 457574736 /nfs/dbraw/zinc/57/47/36/457574736.db2.gz DDRAJIJBURIRSY-QMMMGPOBSA-N -1 0 336.394 3.125 20 30 EGEDRM COc1cc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)nn1C ZINC000357994620 457735649 /nfs/dbraw/zinc/73/56/49/457735649.db2.gz QZTYZKMBJJLEGQ-VIFPVBQESA-N -1 0 346.799 3.182 20 30 EGEDRM CSc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)nc1 ZINC000358157057 457821682 /nfs/dbraw/zinc/82/16/82/457821682.db2.gz GUORBUJWYNPNPU-UHFFFAOYSA-N -1 0 339.829 3.129 20 30 EGEDRM COc1c(C([O-])=C(C#N)c2cnc3ccccc3n2)cccc1[N+](=O)[O-] ZINC000361845371 457904013 /nfs/dbraw/zinc/90/40/13/457904013.db2.gz ZCFQQJLMEONIMP-GFCCVEGCSA-N -1 0 348.318 3.037 20 30 EGEDRM CC(C)n1cc(C#N)c(=NC(=O)c2nc3ccccc3cc2Cl)[n-]1 ZINC000361912962 457950742 /nfs/dbraw/zinc/95/07/42/457950742.db2.gz FZNUQRSZCAEAGG-UHFFFAOYSA-N -1 0 339.786 3.211 20 30 EGEDRM CC(=O)c1cc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)ccc1C ZINC000434559853 458018493 /nfs/dbraw/zinc/01/84/93/458018493.db2.gz XSVCNBSPSAIMBQ-HNNXBMFYSA-N -1 0 332.363 3.267 20 30 EGEDRM CN(C)c1ccc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)nc1 ZINC000362187107 458040505 /nfs/dbraw/zinc/04/05/05/458040505.db2.gz LDFSCJSBYPXUDM-GFCCVEGCSA-N -1 0 334.301 3.051 20 30 EGEDRM CC(C)Cn1cc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)cn1 ZINC000362186822 458041134 /nfs/dbraw/zinc/04/11/34/458041134.db2.gz KRKXKTXWCFWENK-ZDUSSCGKSA-N -1 0 336.317 3.443 20 30 EGEDRM N#CC(=C([O-])c1cnc(Cc2ccccc2F)s1)c1ccncn1 ZINC000358543453 458065460 /nfs/dbraw/zinc/06/54/60/458065460.db2.gz IZBIJGWFAAZXHF-LBPRGKRZSA-N -1 0 338.367 3.153 20 30 EGEDRM N#Cc1ccc(C2=CCN(C(=O)c3ccc([N+](=O)[O-])c([O-])c3)CC2)cc1 ZINC000362392243 458148405 /nfs/dbraw/zinc/14/84/05/458148405.db2.gz LFRNZJMZDCIEFR-UHFFFAOYSA-N -1 0 349.346 3.102 20 30 EGEDRM CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c1C ZINC000435718950 458189529 /nfs/dbraw/zinc/18/95/29/458189529.db2.gz ZPYYFVRLTVQILE-GFCCVEGCSA-N -1 0 332.429 3.143 20 30 EGEDRM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cnc(-c4ccco4)s3)nc1-2 ZINC000429578043 458349585 /nfs/dbraw/zinc/34/95/85/458349585.db2.gz HWAIAWGHXMGLFX-JTQLQIEISA-N -1 0 349.375 3.473 20 30 EGEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cn(C(C)(C)C)nn2)s1 ZINC000430580085 458465706 /nfs/dbraw/zinc/46/57/06/458465706.db2.gz DIPRDHIQIDCRFQ-SNVBAGLBSA-N -1 0 331.445 3.277 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2scnc2C(C)C)n1 ZINC000453623082 458538473 /nfs/dbraw/zinc/53/84/73/458538473.db2.gz BODRLJBIUWJDBQ-SECBINFHSA-N -1 0 349.437 3.390 20 30 EGEDRM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(N(C)C)ccc2C#N)s1 ZINC000431165659 458538899 /nfs/dbraw/zinc/53/88/99/458538899.db2.gz GMRHSPPUHRURCD-UHFFFAOYSA-N -1 0 335.454 3.103 20 30 EGEDRM COC(=O)c1ccc(C(C)C)c(NC(=O)c2ccc(C#N)c([O-])c2)c1 ZINC000469497210 458577612 /nfs/dbraw/zinc/57/76/12/458577612.db2.gz FKHHWRKAGPHZHT-UHFFFAOYSA-N -1 0 338.363 3.426 20 30 EGEDRM COCc1ccc([N-]S(=O)(=O)c2cc(C)c(C)s2)cc1C#N ZINC000530145829 458696770 /nfs/dbraw/zinc/69/67/70/458696770.db2.gz WHEKMFZMSVREDW-UHFFFAOYSA-N -1 0 336.438 3.184 20 30 EGEDRM C=CCn1c(=N)[n-]nc1SCCOc1cccc(C(C)(C)C)c1 ZINC000504515740 458738696 /nfs/dbraw/zinc/73/86/96/458738696.db2.gz NKMFSMCTVYJSKT-UHFFFAOYSA-N -1 0 332.473 3.345 20 30 EGEDRM C=CCOc1ccc(C(F)(F)F)cc1C(=O)N=c1nc(C)[n-]s1 ZINC000440296592 458801799 /nfs/dbraw/zinc/80/17/99/458801799.db2.gz PABKTMKHVJPYIC-UHFFFAOYSA-N -1 0 343.330 3.104 20 30 EGEDRM CCC[C@@H](C#N)NC(=O)c1nn(-c2cccc(C(C)C)c2)cc1[O-] ZINC000555664276 458907546 /nfs/dbraw/zinc/90/75/46/458907546.db2.gz JTEBCUCGIJNMMA-AWEZNQCLSA-N -1 0 326.400 3.123 20 30 EGEDRM N#Cc1cccc(S(=O)(=O)[N-]c2cc(C3CCCCC3)[nH]n2)c1 ZINC000531883632 458993810 /nfs/dbraw/zinc/99/38/10/458993810.db2.gz FCPHSIAPCIVHJP-UHFFFAOYSA-N -1 0 330.413 3.130 20 30 EGEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1csc(C2CCCCC2)n1 ZINC000577826446 459102176 /nfs/dbraw/zinc/10/21/76/459102176.db2.gz UENBOQHYZQXAPE-UHFFFAOYSA-N -1 0 341.440 3.337 20 30 EGEDRM CCOc1ccc(C#N)cc1NC(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000594697678 459134025 /nfs/dbraw/zinc/13/40/25/459134025.db2.gz QPLWZJDGYYCGFX-UHFFFAOYSA-N -1 0 345.399 3.066 20 30 EGEDRM CC(C)[C@H](CNS(=O)(=O)c1ccc(C#N)cc1F)c1ccccc1 ZINC000523569707 459313590 /nfs/dbraw/zinc/31/35/90/459313590.db2.gz DHMGDDUQZLEJTI-INIZCTEOSA-N -1 0 346.427 3.415 20 30 EGEDRM C=CCC[C@@H](NC(=O)Nc1cccc(OCC(F)(F)F)c1)C(=O)[O-] ZINC000560487934 459356788 /nfs/dbraw/zinc/35/67/88/459356788.db2.gz PFJDRDRLWOGQQV-GFCCVEGCSA-N -1 0 346.305 3.169 20 30 EGEDRM CC(C)(CCC(=O)[O-])NC(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC000538506469 459372333 /nfs/dbraw/zinc/37/23/33/459372333.db2.gz YUTBLOABDVBXRF-UHFFFAOYSA-N -1 0 335.403 3.460 20 30 EGEDRM N#CC1(CS(=O)(=O)NCc2cc(Cl)sc2Cl)CCC1 ZINC000569563755 459472113 /nfs/dbraw/zinc/47/21/13/459472113.db2.gz YDAGCAKJQZWYQP-UHFFFAOYSA-N -1 0 339.269 3.168 20 30 EGEDRM COc1ccc2ncc(C#N)c(N3CCC[C@@H](CCC(=O)[O-])C3)c2c1 ZINC000595972901 459490018 /nfs/dbraw/zinc/49/00/18/459490018.db2.gz AVCQIJFUJCMIQG-ZDUSSCGKSA-N -1 0 339.395 3.196 20 30 EGEDRM C=CCn1c(-c2ccc(CC)cc2)n[n-]c1=Nc1c(C)nn(C)c1C ZINC000562031611 459504554 /nfs/dbraw/zinc/50/45/54/459504554.db2.gz LKBLWTXLKDKKDR-UHFFFAOYSA-N -1 0 336.443 3.209 20 30 EGEDRM N#Cc1ccc(C(=O)N=c2[n-]nc(-c3cccc(Cl)c3)s2)s1 ZINC000487274089 459528272 /nfs/dbraw/zinc/52/82/72/459528272.db2.gz FSDJABLMEKODRB-UHFFFAOYSA-N -1 0 346.824 3.466 20 30 EGEDRM N#Cc1ccc(NC(=O)N([C@@H](Cc2ccccc2)C(=O)[O-])C2CC2)cc1 ZINC000562412277 459557909 /nfs/dbraw/zinc/55/79/09/459557909.db2.gz NKQSTZRWWUMCKP-SFHVURJKSA-N -1 0 349.390 3.250 20 30 EGEDRM COc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1cc(C#N)ccn1 ZINC000592385174 459587110 /nfs/dbraw/zinc/58/71/10/459587110.db2.gz PLLUPALCIPFPKE-UHFFFAOYSA-N -1 0 345.424 3.060 20 30 EGEDRM C#C[C@@H](NC(=O)c1cc([O-])ccc1[N+](=O)[O-])c1ccc(Cl)cc1F ZINC000491125822 459599691 /nfs/dbraw/zinc/59/96/91/459599691.db2.gz HNFRQWQVEBNQQP-CQSZACIVSA-N -1 0 348.717 3.197 20 30 EGEDRM Cc1nc(C2CCCCC2)sc1C(=O)N=c1[nH][n-]c(C)c1C#N ZINC000573157146 459635038 /nfs/dbraw/zinc/63/50/38/459635038.db2.gz DBPIITXYTLZPOT-UHFFFAOYSA-N -1 0 329.429 3.077 20 30 EGEDRM C#C[C@H](NC(=O)N=c1[n-]nc(C(F)F)s1)c1ccc(Cl)cc1 ZINC000491697796 459655849 /nfs/dbraw/zinc/65/58/49/459655849.db2.gz QJJTYKGBQYTIHT-VIFPVBQESA-N -1 0 342.758 3.047 20 30 EGEDRM C#C[C@@H]([N-]S(=O)(=O)[C@H](C)C(F)(F)F)c1ccc(Cl)cc1F ZINC000491787376 459674473 /nfs/dbraw/zinc/67/44/73/459674473.db2.gz VKIGALAPRHQUHS-RDDDGLTNSA-N -1 0 343.729 3.024 20 30 EGEDRM C=CCC[C@H](NC(=O)Nc1ccc2oc(C(C)C)nc2c1)C(=O)[O-] ZINC000563514962 459765886 /nfs/dbraw/zinc/76/58/86/459765886.db2.gz QNSFXVFMCZAWEL-LBPRGKRZSA-N -1 0 331.372 3.492 20 30 EGEDRM C=CCOc1ccccc1CNC(=O)N(CCC)[C@@H](CC)C(=O)[O-] ZINC000563772120 459767922 /nfs/dbraw/zinc/76/79/22/459767922.db2.gz DAZSCVZNWFHUDW-HNNXBMFYSA-N -1 0 334.416 3.036 20 30 EGEDRM Cc1nc([N-]S(=O)(=O)c2ccc(C#N)cc2)sc1C(F)(F)F ZINC000574390619 459812549 /nfs/dbraw/zinc/81/25/49/459812549.db2.gz VMBVFTBXNSBQOL-UHFFFAOYSA-N -1 0 347.343 3.143 20 30 EGEDRM Cc1nc(-c2ccc([N-]S(=O)(=O)c3ccc(C#N)o3)cc2)oc1C ZINC000588841785 459990890 /nfs/dbraw/zinc/99/08/90/459990890.db2.gz IXYGESGRXPGNMP-UHFFFAOYSA-N -1 0 343.364 3.224 20 30 EGEDRM Cc1cccc(N=c2[n-]nc(SC[C@@H](O)CC(C)(C)C#N)s2)c1 ZINC000598704544 460000932 /nfs/dbraw/zinc/00/09/32/460000932.db2.gz RJFMIOIPLOKOSS-ZDUSSCGKSA-N -1 0 348.497 3.405 20 30 EGEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000598735575 460012302 /nfs/dbraw/zinc/01/23/02/460012302.db2.gz UNWMPAUOPLUMJD-CVEARBPZSA-N -1 0 334.423 3.178 20 30 EGEDRM C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)N=c1[n-]n(C)cc1C#N ZINC000610564538 460183740 /nfs/dbraw/zinc/18/37/40/460183740.db2.gz IQVQBWNTQLKGDI-NWDGAFQWSA-N -1 0 345.834 3.023 20 30 EGEDRM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(C2CC2)cc1 ZINC000611305084 460334150 /nfs/dbraw/zinc/33/41/50/460334150.db2.gz MFMXVSLGDSRLEB-UHFFFAOYSA-N -1 0 343.364 3.145 20 30 EGEDRM N#Cc1ccc(CNC(=O)CC2(CC(=O)[O-])CCCC2)cc1Cl ZINC000619743194 460428080 /nfs/dbraw/zinc/42/80/80/460428080.db2.gz DUPSLTGLZDTRFR-UHFFFAOYSA-N -1 0 334.803 3.253 20 30 EGEDRM C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H]1[C@H](C(=O)[O-])C1(C)C ZINC000601984532 460971696 /nfs/dbraw/zinc/97/16/96/460971696.db2.gz PBZCRDKJGARGSX-DDTOSNHZSA-N -1 0 332.425 3.234 20 30 EGEDRM C=CC[C@H]1CCCN(C(=O)c2nn(-c3cc(C)ccc3F)cc2[O-])C1 ZINC000617779453 460974652 /nfs/dbraw/zinc/97/46/52/460974652.db2.gz BBIBMSOPSRNENS-AWEZNQCLSA-N -1 0 343.402 3.454 20 30 EGEDRM C=CC[C@@H]1CCCN(C(=O)c2nn(-c3ccc(OC)cc3)cc2[O-])C1 ZINC000617782868 460975569 /nfs/dbraw/zinc/97/55/69/460975569.db2.gz OAWSZLDNDVRIOV-CQSZACIVSA-N -1 0 341.411 3.015 20 30 EGEDRM C=CC[C@H]1CCCN(C(=O)c2nn(-c3ccc(F)cc3)cc2[O-])C1 ZINC000617783044 460975959 /nfs/dbraw/zinc/97/59/59/460975959.db2.gz SAFOKFYMYYQMHR-ZDUSSCGKSA-N -1 0 329.375 3.145 20 30 EGEDRM C=CC[C@@H]1CCCN(C(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)C1 ZINC000659411884 461335334 /nfs/dbraw/zinc/33/53/34/461335334.db2.gz OWYUTPPZIKHUFE-BEFAXECRSA-N -1 0 330.428 3.027 20 30 EGEDRM C=CC[C@@H]1CCCN(C(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)C1 ZINC000659411887 461335932 /nfs/dbraw/zinc/33/59/32/461335932.db2.gz OWYUTPPZIKHUFE-DNVCBOLYSA-N -1 0 330.428 3.027 20 30 EGEDRM C=CCCn1cc(CNc2ccc(C[C@H](CC)C(=O)[O-])cc2)nn1 ZINC000656566848 461788629 /nfs/dbraw/zinc/78/86/29/461788629.db2.gz XKQAOXHREYFFKJ-HNNXBMFYSA-N -1 0 328.416 3.120 20 30 EGEDRM C=CCSc1ccccc1NC(=O)CN1CCCC[C@H]1CC(=O)[O-] ZINC000650504656 461796994 /nfs/dbraw/zinc/79/69/94/461796994.db2.gz WYJAYROWKGXPDI-AWEZNQCLSA-N -1 0 348.468 3.232 20 30 EGEDRM N#CC(=C([O-])c1n[nH]c2c1CCCC2)c1cc(C(F)(F)F)ccn1 ZINC000643778003 461803363 /nfs/dbraw/zinc/80/33/63/461803363.db2.gz SBBHWHJDEPDWTJ-NSHDSACASA-N -1 0 334.301 3.192 20 30 EGEDRM C=CC[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC000656717965 461855915 /nfs/dbraw/zinc/85/59/15/461855915.db2.gz NSUFPQOQQBNNGY-NSHDSACASA-N -1 0 343.832 3.015 20 30 EGEDRM C=CCC[C@H](NC(=O)NCCc1c[nH]c2cc(Cl)ccc12)C(=O)[O-] ZINC000654800586 462385880 /nfs/dbraw/zinc/38/58/80/462385880.db2.gz XJNLYXDEDCMHGO-AWEZNQCLSA-N -1 0 349.818 3.082 20 30 EGEDRM COc1ccc(/C=C/C(=O)c2ccc(OCC(=O)[O-])cc2)cc1OC ZINC000008321912 523402242 /nfs/dbraw/zinc/40/22/42/523402242.db2.gz VAFJMQJNQNUXGV-YCRREMRBSA-N -1 0 342.347 3.063 20 30 EGEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)NC1CCC(C(=O)[O-])CC1 ZINC000263487590 534972676 /nfs/dbraw/zinc/97/26/76/534972676.db2.gz NHHRFDRSMHBZSS-UHFFFAOYSA-N -1 0 345.399 3.110 20 30 EGEDRM O=C([O-])CCN(C(=O)c1ccc(C#Cc2ccccc2)cc1)C1CC1 ZINC000678975268 549607886 /nfs/dbraw/zinc/60/78/86/549607886.db2.gz ABQCNIKEKPPHBQ-UHFFFAOYSA-N -1 0 333.387 3.166 20 30 EGEDRM N#Cc1ccc(SCC(=O)Oc2ccc(NC(=O)[O-])cc2)cc1 ZINC000738434720 574667901 /nfs/dbraw/zinc/66/79/01/574667901.db2.gz MQEUUKUWKZWIGK-UHFFFAOYSA-N -1 0 328.349 3.346 20 30 EGEDRM C[C@H]1C[C@H](CC(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)CC(C)(C)C1 ZINC000727626087 574678139 /nfs/dbraw/zinc/67/81/39/574678139.db2.gz SNQDUBPEQZVEAP-DZGCQCFKSA-N -1 0 348.468 3.216 20 30 EGEDRM C=CCNC(=O)C(C#N)=C([O-])c1csc(-c2ccccc2Cl)n1 ZINC000727627713 574678435 /nfs/dbraw/zinc/67/84/35/574678435.db2.gz PJNHRIMNYSLCFL-LLVKDONJSA-N -1 0 345.811 3.088 20 30 EGEDRM O=C([O-])c1cc(NN=Cc2nccn2CC(F)(F)F)ccc1Cl ZINC000727688467 574683590 /nfs/dbraw/zinc/68/35/90/574683590.db2.gz UOEQYBDSLIFICB-UHFFFAOYSA-N -1 0 346.696 3.243 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)Cc2cc(C)ccc2C)n1 ZINC000728113857 574718627 /nfs/dbraw/zinc/71/86/27/574718627.db2.gz OVCRPMFLOXMMHQ-HNNXBMFYSA-N -1 0 342.420 3.031 20 30 EGEDRM Cc1cc(C(=O)/C=C\c2cccc(O[C@H](C)C(=O)[O-])c2)ccc1O ZINC000728231591 574731999 /nfs/dbraw/zinc/73/19/99/574731999.db2.gz LYEVGONQFDDMKM-FWPCIQOSSA-N -1 0 326.348 3.449 20 30 EGEDRM C#CCOC(=O)c1ccsc1NC(=O)c1ccc(Cl)cc1[O-] ZINC000730371306 574982023 /nfs/dbraw/zinc/98/20/23/574982023.db2.gz GXVVZTXOJLTUGU-UHFFFAOYSA-N -1 0 335.768 3.149 20 30 EGEDRM C#CCOc1cccc([N-]S(=O)(=O)c2cc(F)ccc2Cl)c1 ZINC000730996628 575042968 /nfs/dbraw/zinc/04/29/68/575042968.db2.gz UHNYKFZFCXVGEY-UHFFFAOYSA-N -1 0 339.775 3.292 20 30 EGEDRM O=C([O-])c1ccccc1COc1cccc(CN=Nc2cnccn2)c1 ZINC000731559428 575081742 /nfs/dbraw/zinc/08/17/42/575081742.db2.gz ZOJRXLFUUVNPIL-UHFFFAOYSA-N -1 0 348.362 3.200 20 30 EGEDRM C[C@](O)(C/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccccc1 ZINC000733904662 575408268 /nfs/dbraw/zinc/40/82/68/575408268.db2.gz ZOBUOLKIRRUMSY-RSFAQHHSSA-N -1 0 334.759 3.280 20 30 EGEDRM C#Cc1ccc(C(=O)Nc2sc(C(C)(C)C)cc2C(=O)[O-])cn1 ZINC000736092452 575898339 /nfs/dbraw/zinc/89/83/39/575898339.db2.gz GLWQGPBGSRECHG-UHFFFAOYSA-N -1 0 328.393 3.372 20 30 EGEDRM C=CCOc1ccccc1CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000736113914 575900399 /nfs/dbraw/zinc/90/03/99/575900399.db2.gz HASRRQZGEZEYOG-UHFFFAOYSA-N -1 0 344.342 3.410 20 30 EGEDRM C=CCn1nnnc1SCc1c2ccccc2sc1C(=O)[O-] ZINC000736116445 575901065 /nfs/dbraw/zinc/90/10/65/575901065.db2.gz AZJGKHNGOVQABO-UHFFFAOYSA-N -1 0 332.410 3.064 20 30 EGEDRM C[C@H](C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccccc1F ZINC000736225869 575917028 /nfs/dbraw/zinc/91/70/28/575917028.db2.gz AHEYJBLHLYXMRG-MEDUHNTESA-N -1 0 327.311 3.170 20 30 EGEDRM CC1(C)Cc2cc(C=NNc3cccc(-c4nn[nH]n4)c3)ccc2O1 ZINC000736215640 575917236 /nfs/dbraw/zinc/91/72/36/575917236.db2.gz ZKCZTDOBQVSWLZ-UHFFFAOYSA-N -1 0 334.383 3.026 20 30 EGEDRM CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CCNC(=O)[O-])sc2C1 ZINC000736248855 575921397 /nfs/dbraw/zinc/92/13/97/575921397.db2.gz BFTGQIWPGNERLK-SNVBAGLBSA-N -1 0 349.456 3.367 20 30 EGEDRM CC(C)(C)c1nc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cs1 ZINC000736303899 575930795 /nfs/dbraw/zinc/93/07/95/575930795.db2.gz RKQGOUHEMVKPMZ-CYBMUJFWSA-N -1 0 344.392 3.295 20 30 EGEDRM C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(C(=O)[O-])nc1 ZINC000736544716 575982049 /nfs/dbraw/zinc/98/20/49/575982049.db2.gz KADLVYGQJHDCBR-NSHDSACASA-N -1 0 341.392 3.426 20 30 EGEDRM C[C@H](CC(=O)[O-])SCCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000736552203 575983190 /nfs/dbraw/zinc/98/31/90/575983190.db2.gz KDUUZFLIPXKEEH-SECBINFHSA-N -1 0 326.805 3.137 20 30 EGEDRM C[C@H]1C[C@@H]1NC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000736765599 576023727 /nfs/dbraw/zinc/02/37/27/576023727.db2.gz LSEYLLDGPTXVTH-UGSOOPFHSA-N -1 0 334.375 3.315 20 30 EGEDRM C[C@@H]1CN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)C[C@@H](c2ccccc2)O1 ZINC000736806014 576035976 /nfs/dbraw/zinc/03/59/76/576035976.db2.gz GUCTZRLHTSXCDN-MDASCCDHSA-N -1 0 336.391 3.146 20 30 EGEDRM CCCCc1oc2ccccc2c1/C=C\C(=O)N(CC#N)CC(=O)[O-] ZINC000737003826 576075497 /nfs/dbraw/zinc/07/54/97/576075497.db2.gz KIKWYXZJNMKYJN-KTKRTIGZSA-N -1 0 340.379 3.225 20 30 EGEDRM CCCc1nc(C)c(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)s1 ZINC000737050412 576090504 /nfs/dbraw/zinc/09/05/04/576090504.db2.gz KBOIKOXKLMAECS-AWEZNQCLSA-N -1 0 344.392 3.258 20 30 EGEDRM CN(Cc1ccc(Br)o1)[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737450818 576231532 /nfs/dbraw/zinc/23/15/32/576231532.db2.gz DKSQAASHUYHABF-CQSZACIVSA-N -1 0 349.184 3.171 20 30 EGEDRM CN(Cc1ccc(Nc2ccc([N+](=O)[O-])cc2C#N)cc1)C(=O)[O-] ZINC000737485832 576236948 /nfs/dbraw/zinc/23/69/48/576236948.db2.gz HPDUIIMCRHAJRR-UHFFFAOYSA-N -1 0 326.312 3.320 20 30 EGEDRM C#Cc1ccc(C(=O)Nc2sc3c(c2C(=O)[O-])CC[C@@H](C)C3)nc1 ZINC000737496403 576238326 /nfs/dbraw/zinc/23/83/26/576238326.db2.gz SNKPZNVLNDFRPN-SNVBAGLBSA-N -1 0 340.404 3.200 20 30 EGEDRM Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)SC[C@H](C)C(=O)[O-])c1 ZINC000738363303 576317920 /nfs/dbraw/zinc/31/79/20/576317920.db2.gz DRQMFJMLPWENAV-LSDHHAIUSA-N -1 0 348.468 3.393 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2sc3c(c2C(=O)[O-])CCCCC3)cn1 ZINC000738431412 576325102 /nfs/dbraw/zinc/32/51/02/576325102.db2.gz YOTNGMCIGBTLMR-UHFFFAOYSA-N -1 0 341.392 3.234 20 30 EGEDRM Cc1ccc2c(CC(=O)O[C@H](C(=O)[O-])c3ccc(C#N)cc3)c[nH]c2c1 ZINC000738663830 576347749 /nfs/dbraw/zinc/34/77/49/576347749.db2.gz FHGQZOCVMWWTBZ-IBGZPJMESA-N -1 0 348.358 3.260 20 30 EGEDRM Cc1cccc(N2CCN([C@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)c1C ZINC000738733410 576356709 /nfs/dbraw/zinc/35/67/09/576356709.db2.gz WINJKLHIHIJJGC-FQEVSTJZSA-N -1 0 349.434 3.123 20 30 EGEDRM N#Cc1cc(NC(=O)Nc2ccc(CNC(=O)[O-])cc2)ccc1F ZINC000739099220 576377886 /nfs/dbraw/zinc/37/78/86/576377886.db2.gz QLAWRIVRYPLSBY-UHFFFAOYSA-N -1 0 328.303 3.109 20 30 EGEDRM N#Cc1ccc(-c2ccn(CCOc3cccc(C(=O)[O-])c3)n2)cc1 ZINC000739101277 576377930 /nfs/dbraw/zinc/37/79/30/576377930.db2.gz FKPIYJCAQASFPS-UHFFFAOYSA-N -1 0 333.347 3.199 20 30 EGEDRM N#Cc1ccc([C@@H](OC(=O)[C@@H]2CCCc3ccccc32)C(=O)[O-])cc1 ZINC000739109526 576378494 /nfs/dbraw/zinc/37/84/94/576378494.db2.gz LSNVUIIGZDQDKO-QZTJIDSGSA-N -1 0 335.359 3.347 20 30 EGEDRM N#Cc1ccc([C@@H](OC(=O)c2ccc3ccccc3c2O)C(=O)[O-])cc1 ZINC000739113960 576378613 /nfs/dbraw/zinc/37/86/13/576378613.db2.gz CZHBVNAVBYENLY-GOSISDBHSA-N -1 0 347.326 3.400 20 30 EGEDRM N#Cc1ccc(CN(CCC(=O)[O-])Cc2ccc(F)c(F)c2)c(F)c1 ZINC000739117126 576378798 /nfs/dbraw/zinc/37/87/98/576378798.db2.gz IKADLEZNIZOOSR-UHFFFAOYSA-N -1 0 348.324 3.452 20 30 EGEDRM N#Cc1ccc(CC(=O)Nc2cccc(CSCC(=O)[O-])c2)cc1 ZINC000739118299 576378932 /nfs/dbraw/zinc/37/89/32/576378932.db2.gz QGFUCXXVNOUZSD-UHFFFAOYSA-N -1 0 340.404 3.057 20 30 EGEDRM N#Cc1ccc(Cl)cc1NC(=O)CNc1cccc(F)c1C(=O)[O-] ZINC000739117943 576378997 /nfs/dbraw/zinc/37/89/97/576378997.db2.gz JXQFZVYQTKCFPT-UHFFFAOYSA-N -1 0 347.733 3.100 20 30 EGEDRM N#Cc1ccc(NC(=O)Nc2ccc(OCCCC(=O)[O-])cc2)cc1 ZINC000739121895 576379120 /nfs/dbraw/zinc/37/91/20/576379120.db2.gz YQPULMCVZVNYMM-UHFFFAOYSA-N -1 0 339.351 3.446 20 30 EGEDRM O=C([O-])c1ccc(COc2ccc(C=NNCC(F)F)cc2)cc1 ZINC000740132009 576552866 /nfs/dbraw/zinc/55/28/66/576552866.db2.gz BKGSXCAORIDZBZ-UHFFFAOYSA-N -1 0 334.322 3.152 20 30 EGEDRM O=C([O-])c1ccc2[nH]cc(C=NNc3ccnc4ccccc43)c2c1 ZINC000740191236 576562635 /nfs/dbraw/zinc/56/26/35/576562635.db2.gz VSYXCBREWNAREE-UHFFFAOYSA-N -1 0 330.347 3.282 20 30 EGEDRM C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(CC)cc1 ZINC000741658433 576708940 /nfs/dbraw/zinc/70/89/40/576708940.db2.gz XSUFZSLJPDKAEN-UHFFFAOYSA-N -1 0 333.384 3.201 20 30 EGEDRM C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1sccc1C ZINC000741658478 576708965 /nfs/dbraw/zinc/70/89/65/576708965.db2.gz YQLXBSZEHIFPBS-UHFFFAOYSA-N -1 0 325.386 3.008 20 30 EGEDRM CCCCCCCCOCC(=O)[N-]S(=O)(=O)c1ccccc1F ZINC000744013955 576818840 /nfs/dbraw/zinc/81/88/40/576818840.db2.gz FOWXRPMVYVYSRX-UHFFFAOYSA-N -1 0 345.436 3.008 20 30 EGEDRM N#CCOc1ccc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000744755734 576833818 /nfs/dbraw/zinc/83/38/18/576833818.db2.gz JBTNSQADMPDKRL-UHFFFAOYSA-N -1 0 329.743 3.387 20 30 EGEDRM Cc1nn(C)c(Cl)c1/C=C\C(=O)c1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000745020646 576838714 /nfs/dbraw/zinc/83/87/14/576838714.db2.gz GEHXOEUJCQSFLR-TVRMLOFPSA-N -1 0 348.786 3.130 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)OCc1cc(-c2ccc(Cl)cc2)no1 ZINC000819874610 597614394 /nfs/dbraw/zinc/61/43/94/597614394.db2.gz NEWRKSLWMSXIBZ-INIZCTEOSA-N -1 0 348.742 3.043 20 30 EGEDRM N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H]2C(=O)[O-])cc1 ZINC000821319955 598206192 /nfs/dbraw/zinc/20/61/92/598206192.db2.gz CSTRHXSBAFTTGO-MSOLQXFVSA-N -1 0 349.390 3.423 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NCC1(c2ccccc2)CCCCC1 ZINC000819833105 598223796 /nfs/dbraw/zinc/22/37/96/598223796.db2.gz DYHCQTPBERJCQP-SFHVURJKSA-N -1 0 328.412 3.009 20 30 EGEDRM Cc1cc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])ccc1Oc1cccnc1 ZINC000821008517 598225327 /nfs/dbraw/zinc/22/53/27/598225327.db2.gz JTRZBORKPDLKHL-GOSISDBHSA-N -1 0 339.351 3.125 20 30 EGEDRM CC(C)c1nc2ccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])cc2s1 ZINC000820062041 598225614 /nfs/dbraw/zinc/22/56/14/598225614.db2.gz XWPPGNNBJLNDNX-MRXNPFEDSA-N -1 0 331.397 3.363 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)OCc1ncc(-c2cccc(Cl)c2)o1 ZINC000819874938 598227267 /nfs/dbraw/zinc/22/72/67/598227267.db2.gz SWOAVXGSYALNLH-MRXNPFEDSA-N -1 0 348.742 3.043 20 30 EGEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000263486488 600482662 /nfs/dbraw/zinc/48/26/62/600482662.db2.gz MVLAGKKVSZCUHV-QWHCGFSZSA-N -1 0 347.440 3.267 20 30 EGEDRM C=CCNC(=O)Nc1ccc(N[C@@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000825687406 600735313 /nfs/dbraw/zinc/73/53/13/600735313.db2.gz JABRLOIRTBLGHY-MRXNPFEDSA-N -1 0 343.358 3.371 20 30 EGEDRM N#Cc1ccnc(SCCOc2ccc(C(=O)[O-])cc2Cl)c1 ZINC000833076723 600837571 /nfs/dbraw/zinc/83/75/71/600837571.db2.gz NMVDVWLIQUWUKY-UHFFFAOYSA-N -1 0 334.784 3.476 20 30 EGEDRM N#Cc1c(NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)sc2c1CCCC2 ZINC000833067913 601146574 /nfs/dbraw/zinc/14/65/74/601146574.db2.gz IVIOEXAMPVIHMA-WDEREUQCSA-N -1 0 332.425 3.328 20 30 EGEDRM Cc1cccc2ncc(/C=C/C(=O)c3ccc(OCC(=O)[O-])cc3)n21 ZINC000832975015 601200387 /nfs/dbraw/zinc/20/03/87/601200387.db2.gz TXSGEUHYAPRMKA-JXMROGBWSA-N -1 0 336.347 3.002 20 30 EGEDRM CC(C)C(=O)Nc1cccc(N[C@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000826658335 601299329 /nfs/dbraw/zinc/29/93/29/601299329.db2.gz MZIMAHQIDMKESO-KRWDZBQOSA-N -1 0 337.379 3.391 20 30 EGEDRM N#Cc1cccc([C@H](Nc2cccc(NC(=O)C3CC3)c2)C(=O)[O-])c1 ZINC000833075331 601300055 /nfs/dbraw/zinc/30/00/55/601300055.db2.gz KECNGBDKBPBKBW-KRWDZBQOSA-N -1 0 335.363 3.145 20 30 EGEDRM COC(=O)Nc1cc(N[C@H](C(=O)[O-])c2cccc(C#N)c2)ccc1F ZINC000831206275 601304000 /nfs/dbraw/zinc/30/40/00/601304000.db2.gz DMKJTDJPRXAPAL-HNNXBMFYSA-N -1 0 343.314 3.113 20 30 EGEDRM Cc1c(C(=O)/C=C/c2ccc(C(=O)[O-])[nH]2)cnn1-c1ccc(F)cc1 ZINC000832848834 601331677 /nfs/dbraw/zinc/33/16/77/601331677.db2.gz OANWKDOTHYMCAJ-WEVVVXLNSA-N -1 0 339.326 3.242 20 30 EGEDRM O=C([O-])c1ccc(/C=C2/Cc3ccc(OC(F)(F)F)cc3C2=O)[nH]1 ZINC000833312030 601332775 /nfs/dbraw/zinc/33/27/75/601332775.db2.gz HZLNBVBIJVOGDV-TWGQIWQCSA-N -1 0 337.253 3.434 20 30 EGEDRM N#Cc1cccc([C@H](OC(=O)c2cc3ccccc3cc2O)C(=O)[O-])c1 ZINC000833076858 601347914 /nfs/dbraw/zinc/34/79/14/601347914.db2.gz IWKHCDAZYFYGPB-SFHVURJKSA-N -1 0 347.326 3.400 20 30 EGEDRM COc1cc(Cl)ccc1C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832004231 601350786 /nfs/dbraw/zinc/35/07/86/601350786.db2.gz MFWNSIGJXTZZDI-HNNXBMFYSA-N -1 0 345.738 3.203 20 30 EGEDRM C[C@H](C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1)c1ccccc1F ZINC000826061397 601352530 /nfs/dbraw/zinc/35/25/30/601352530.db2.gz QEBUHOSFVTZXBX-ZBEGNZNMSA-N -1 0 327.311 3.170 20 30 EGEDRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc(C#N)cs2)cc1 ZINC000832777403 601553284 /nfs/dbraw/zinc/55/32/84/601553284.db2.gz LEOJXYWXJFMEPZ-ZDUSSCGKSA-N -1 0 346.433 3.287 20 30 EGEDRM C=CCOc1ccccc1C(=O)Nc1nc(CCCC(=O)[O-])cs1 ZINC000325224814 601744425 /nfs/dbraw/zinc/74/44/25/601744425.db2.gz QBBHSTPOMNABEH-UHFFFAOYSA-N -1 0 346.408 3.368 20 30 EGEDRM C=C[C@@H](C)NC(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC000825659926 601754316 /nfs/dbraw/zinc/75/43/16/601754316.db2.gz LHMDKZVSZPBEAA-MRVPVSSYSA-N -1 0 332.278 3.022 20 30 EGEDRM CCOC(=O)c1oc2c(c1C)C(=O)/C(=C\c1c[nH]c(C(=O)[O-])c1)CC2 ZINC000829895219 601791923 /nfs/dbraw/zinc/79/19/23/601791923.db2.gz KMJBILNDAVMSPZ-WDZFZDKYSA-N -1 0 343.335 3.004 20 30 EGEDRM Cc1nn(-c2ccccc2)c(C)c1C(=O)/C=C\c1c[nH]c(C(=O)[O-])c1 ZINC000833011823 601793211 /nfs/dbraw/zinc/79/32/11/601793211.db2.gz QEUVVHSTXJSFRF-HJWRWDBZSA-N -1 0 335.363 3.412 20 30 EGEDRM CCc1nnc(Nc2ccc(N(C)C(=O)[O-])cc2)c(C#N)c1CC ZINC000830335793 602091057 /nfs/dbraw/zinc/09/10/57/602091057.db2.gz XYCMQLCBQCKZJX-UHFFFAOYSA-N -1 0 325.372 3.331 20 30 EGEDRM Cc1cc(C(=O)/C=C\c2ccc(O[C@@H](C)C(=O)[O-])cc2)ccc1O ZINC000794706641 602110587 /nfs/dbraw/zinc/11/05/87/602110587.db2.gz GZUMIRFDAMGQBS-QGOGUYACSA-N -1 0 326.348 3.449 20 30 EGEDRM C[C@H](Oc1ccc(/C=C2/Oc3ccc(F)cc3C2=O)cc1)C(=O)[O-] ZINC000794707132 602110600 /nfs/dbraw/zinc/11/06/00/602110600.db2.gz KJKQVNDKTKNYDR-MDKXCRPYSA-N -1 0 328.295 3.294 20 30 EGEDRM C=C(C)CNC(=S)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000825642284 602119996 /nfs/dbraw/zinc/11/99/96/602119996.db2.gz MVMXDCHZHKNPAE-UHFFFAOYSA-N -1 0 330.409 3.166 20 30 EGEDRM C=CCSc1ccccc1NC(=O)CN(CC(=O)[O-])C1CCCC1 ZINC000825702672 602338719 /nfs/dbraw/zinc/33/87/19/602338719.db2.gz UCOCUTSQOAMELW-UHFFFAOYSA-N -1 0 348.468 3.232 20 30 EGEDRM CCCNc1ccc(C#N)cc1NC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000829519969 604287996 /nfs/dbraw/zinc/28/79/96/604287996.db2.gz YEKRTRWTTZMJLO-UHFFFAOYSA-N -1 0 341.342 3.470 20 30 EGEDRM C[C@](C#N)(CCc1ccccc1)NC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000825967030 604312909 /nfs/dbraw/zinc/31/29/09/604312909.db2.gz QLCABNPKFUYWGV-LJQANCHMSA-N -1 0 340.354 3.169 20 30 EGEDRM CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1ccc(C(=O)[O-])s1 ZINC000826636790 604375989 /nfs/dbraw/zinc/37/59/89/604375989.db2.gz LXMLQZWCJUNLMJ-UHFFFAOYSA-N -1 0 330.365 3.114 20 30 EGEDRM C=CCC[C@@H](NC(=O)N[C@H]1CCCN(C(=O)[O-])C1)c1ccccc1 ZINC000825664779 604507571 /nfs/dbraw/zinc/50/75/71/604507571.db2.gz KYIQDGGXBRWXCH-JKSUJKDBSA-N -1 0 331.416 3.136 20 30 EGEDRM N#Cc1c(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)cccc1C(=O)[O-] ZINC000833761176 604549610 /nfs/dbraw/zinc/54/96/10/604549610.db2.gz PEUYDINQYCDNAJ-UHFFFAOYSA-N -1 0 348.318 3.076 20 30 EGEDRM C=C[C@@H](CC(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21)c1ccccc1 ZINC000833371671 604679262 /nfs/dbraw/zinc/67/92/62/604679262.db2.gz UUSJTDFYARWVMI-KBXCAEBGSA-N -1 0 337.375 3.225 20 30 EGEDRM C=CCOc1ccc(OC(=O)CCc2ccccc2C(=O)[O-])cc1 ZINC000833378152 604764756 /nfs/dbraw/zinc/76/47/56/604764756.db2.gz YWTUQMCFCIQELC-UHFFFAOYSA-N -1 0 326.348 3.488 20 30 EGEDRM C=C(C)[C@@H](CC(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1)OCC ZINC000833367518 604870264 /nfs/dbraw/zinc/87/02/64/604870264.db2.gz NCYKSXGNLLSJIM-UKRRQHHQSA-N -1 0 343.782 3.092 20 30 EGEDRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2ccccc2SCC#N)C1 ZINC000325335292 604883730 /nfs/dbraw/zinc/88/37/30/604883730.db2.gz HHKANHMLPVIVOL-ZDUSSCGKSA-N -1 0 346.452 3.265 20 30 EGEDRM Cc1c2cc(C(C)N=Nc3ncc(F)cn3)cnc2sc1C(=O)[O-] ZINC000833386962 604901704 /nfs/dbraw/zinc/90/17/04/604901704.db2.gz FYXYOKFHJLLJMY-UHFFFAOYSA-N -1 0 345.359 3.068 20 30 EGEDRM C=C(Br)CN(C)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000833367884 604959800 /nfs/dbraw/zinc/95/98/00/604959800.db2.gz XUNPPRXHMMNBLT-NSHDSACASA-N -1 0 338.123 3.070 20 30 EGEDRM C=CC[C@H](NC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1)c1ccncc1 ZINC000833371250 604984293 /nfs/dbraw/zinc/98/42/93/604984293.db2.gz RFAGRXLVTARVCN-CVEARBPZSA-N -1 0 345.443 3.231 20 30 EGEDRM CC(C)(C)C[C@@H](OC(=O)CSCc1ccc(C#N)cc1)C(=O)[O-] ZINC000833428806 605236468 /nfs/dbraw/zinc/23/64/68/605236468.db2.gz YUZOHAZJVKHLLI-CQSZACIVSA-N -1 0 335.425 3.224 20 30 EGEDRM C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(NC(=O)[O-])c(F)c1 ZINC000833537652 605275661 /nfs/dbraw/zinc/27/56/61/605275661.db2.gz NDENPEFQKNJZTL-SNVBAGLBSA-N -1 0 343.314 3.193 20 30 EGEDRM CC(=NN[C@H]1CCO[C@@H](C)C1)c1cnc2sc(C(=O)[O-])c(C)c2c1 ZINC000833386451 605581978 /nfs/dbraw/zinc/58/19/78/605581978.db2.gz GKUIDWCKVWHDAS-ZANVPECISA-N -1 0 347.440 3.184 20 30 EGEDRM N#Cc1c(Cl)nsc1NCc1ccc(C(=O)[O-])c(C2CC2)n1 ZINC000833761270 605606061 /nfs/dbraw/zinc/60/60/61/605606061.db2.gz RMVHJBOWLSFWDH-UHFFFAOYSA-N -1 0 334.788 3.251 20 30 EGEDRM CCOc1ccccc1/C=C/C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000008322899 1291102220 /nfs/dbraw/zinc/10/22/20/1291102220.db2.gz GQMOBQIDRGRBEM-ZHACJKMWSA-N -1 0 326.348 3.445 20 30 EGEDRM O=C(CCC1CCCC1)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000042234297 1291437297 /nfs/dbraw/zinc/43/72/97/1291437297.db2.gz SLWQYLJMXUOGJW-UHFFFAOYSA-N -1 0 326.374 3.210 20 30 EGEDRM O=C(CSc1ccc(F)cc1)[N-]S(=O)(=O)c1ccccc1 ZINC000042232614 1291437495 /nfs/dbraw/zinc/43/74/95/1291437495.db2.gz OCYCGAUWLPNCHC-UHFFFAOYSA-N -1 0 325.386 3.263 20 30 EGEDRM Cc1ccc(OCC(=O)[N-]S(=O)(=O)c2ccccc2C)c(C)c1 ZINC000042242776 1291437500 /nfs/dbraw/zinc/43/75/00/1291437500.db2.gz AYJCVAKRJOSHES-UHFFFAOYSA-N -1 0 333.409 3.336 20 30 EGEDRM CC(C)=C[C@@H]1[C@@H](C(=O)[N-]S(=O)(=O)c2c(C)noc2C)C1(C)C ZINC000042290811 1291439142 /nfs/dbraw/zinc/43/91/42/1291439142.db2.gz MPQJPUCUIDHPTG-NEPJUHHUSA-N -1 0 326.418 3.175 20 30 EGEDRM Cc1noc(C)c1CCC(=O)[N-]S(=O)(=O)C=Cc1ccccc1 ZINC000042319062 1291440194 /nfs/dbraw/zinc/44/01/94/1291440194.db2.gz VFNHHSYXXCTDDO-ZHACJKMWSA-N -1 0 334.397 3.181 20 30 EGEDRM Cc1ccc(OCC(=O)[N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000046929873 1291558036 /nfs/dbraw/zinc/55/80/36/1291558036.db2.gz PBJWTWJARCNLAL-UHFFFAOYSA-N -1 0 333.409 3.336 20 30 EGEDRM O=C(COc1ccc(F)c(Cl)c1)[N-]S(=O)(=O)c1ccccc1 ZINC000048406672 1291603712 /nfs/dbraw/zinc/60/37/12/1291603712.db2.gz NFICJIHWERJALX-UHFFFAOYSA-N -1 0 343.763 3.203 20 30 EGEDRM Cc1c(C(=O)[N-]S(=O)(=O)c2ccc(C)cc2C)cnn1C(C)(C)C ZINC000048476481 1291606598 /nfs/dbraw/zinc/60/65/98/1291606598.db2.gz XRQRGKRDYCDORK-UHFFFAOYSA-N -1 0 349.456 3.257 20 30 EGEDRM C[C@H](SCc1ccccc1)C(=O)[N-]S(=O)(=O)c1cccnc1 ZINC000048532673 1291610064 /nfs/dbraw/zinc/61/00/64/1291610064.db2.gz ITLWJTQSSONLJF-LBPRGKRZSA-N -1 0 336.438 3.049 20 30 EGEDRM CSc1ccccc1C(=O)[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC000048567698 1291611146 /nfs/dbraw/zinc/61/11/46/1291611146.db2.gz QBNJLKFTJCYBJX-UHFFFAOYSA-N -1 0 339.413 3.382 20 30 EGEDRM CN(Cc1ccccc1)S(=O)(=O)[N-]C(=O)C=Cc1cccs1 ZINC000048676888 1291615572 /nfs/dbraw/zinc/61/55/72/1291615572.db2.gz DTOVSPTXKNIAGH-MDZDMXLPSA-N -1 0 336.438 3.095 20 30 EGEDRM CS(=O)(=O)[N-]C(=O)CSCc1ccc(Cl)cc1Cl ZINC000049003965 1291624112 /nfs/dbraw/zinc/62/41/12/1291624112.db2.gz ITUPLWXYCPKYQA-UHFFFAOYSA-N -1 0 328.242 3.143 20 30 EGEDRM CCc1ccc(OCC(=O)[N-]S(=O)(=O)C2CCCCC2)cc1 ZINC000058073333 1291876006 /nfs/dbraw/zinc/87/60/06/1291876006.db2.gz OJWVDGOUTKYJFM-UHFFFAOYSA-N -1 0 325.430 3.247 20 30 EGEDRM Cc1ccc(CC(=O)[N-]S(=O)(=O)Cc2ccc(Cl)nc2)cc1 ZINC000058150744 1291881096 /nfs/dbraw/zinc/88/10/96/1291881096.db2.gz TXDXGHSZZLZKAG-UHFFFAOYSA-N -1 0 338.816 3.072 20 30 EGEDRM COc1cccc(S(=O)(=O)[N-]C(=O)c2c(C)[nH]c3ccccc32)c1 ZINC000058187592 1291883129 /nfs/dbraw/zinc/88/31/29/1291883129.db2.gz SUOQBOLPFLDBBB-UHFFFAOYSA-N -1 0 344.392 3.178 20 30 EGEDRM COc1ccc(C(=O)/C=C/c2cccc(OCCC(=O)[O-])c2)cc1 ZINC000060212494 1291919589 /nfs/dbraw/zinc/91/95/89/1291919589.db2.gz HFGRWGXJFWMWIN-BJMVGYQFSA-N -1 0 326.348 3.445 20 30 EGEDRM CCCCS(=O)(=O)[N-]C(=O)c1ccc(Oc2cccnc2)cc1 ZINC000064666882 1292062295 /nfs/dbraw/zinc/06/22/95/1292062295.db2.gz UFHYCJLMASIORV-UHFFFAOYSA-N -1 0 334.397 3.308 20 30 EGEDRM O=C([N-]S(=O)(=O)c1ccc(Cl)cc1F)c1ccc(Cl)o1 ZINC000064696178 1292063902 /nfs/dbraw/zinc/06/39/02/1292063902.db2.gz VDOPLBBOBYUUKT-UHFFFAOYSA-N -1 0 338.143 3.419 20 30 EGEDRM O=C([N-]S(=O)(=O)c1ccc(Cl)cc1F)c1ccnc(Cl)c1 ZINC000064698303 1292064661 /nfs/dbraw/zinc/06/46/61/1292064661.db2.gz NNIUTZVLVAGWTL-UHFFFAOYSA-N -1 0 349.170 3.221 20 30 EGEDRM O=C(CCc1cc(F)ccc1F)[N-]S(=O)(=O)c1ccccc1F ZINC000066003767 1292104059 /nfs/dbraw/zinc/10/40/59/1292104059.db2.gz QBQMJKTYIOHJPR-UHFFFAOYSA-N -1 0 343.326 3.382 20 30 EGEDRM CCSc1ccc(C(=O)[N-]S(=O)(=O)C=Cc2ccccc2)cn1 ZINC000070030734 1292254741 /nfs/dbraw/zinc/25/47/41/1292254741.db2.gz KKRNLKVELGKGDG-ZHACJKMWSA-N -1 0 348.449 3.499 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)CC[C@@H]2CC[C@H](C)O2)cc1C ZINC000076757834 1292439898 /nfs/dbraw/zinc/43/98/98/1292439898.db2.gz HBWPPFFREGVNOI-KBPBESRZSA-N -1 0 325.430 3.296 20 30 EGEDRM CCCCC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1c(C)nn(C)c1C ZINC000076761327 1292441801 /nfs/dbraw/zinc/44/18/01/1292441801.db2.gz BOZINIQEMRGFCY-LLVKDONJSA-N -1 0 329.466 3.289 20 30 EGEDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@H](C)C1 ZINC000076843557 1292445271 /nfs/dbraw/zinc/44/52/71/1292445271.db2.gz AMNAQUCBDNEZJM-CMPLNLGQSA-N -1 0 340.401 3.375 20 30 EGEDRM CCC=C(C)C(=O)[N-]S(=O)(=O)c1ccccc1Br ZINC000078556481 1292515924 /nfs/dbraw/zinc/51/59/24/1292515924.db2.gz VVBZGQHOFSVCAO-TWGQIWQCSA-N -1 0 332.219 3.451 20 30 EGEDRM CC(C)c1csc(C(C#N)=C([O-])[C@@H]2Cc3ccccc3C(=O)O2)n1 ZINC000080453970 1292604157 /nfs/dbraw/zinc/60/41/57/1292604157.db2.gz ADSOFFWXYIJVPF-ZFWWWQNUSA-N -1 0 340.404 3.224 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@@H]2CCC(C)=C(C)C2)n1 ZINC000829799973 1292624175 /nfs/dbraw/zinc/62/41/75/1292624175.db2.gz SLPBHPQMFFSCGX-KGLIPLIRSA-N -1 0 332.425 3.308 20 30 EGEDRM C[C@@H](Oc1ccccc1Cl)C(=O)[N-]S(=O)(=O)C1CCCC1 ZINC000086055340 1292727327 /nfs/dbraw/zinc/72/73/27/1292727327.db2.gz WTDJBUQRHXHYKP-SNVBAGLBSA-N -1 0 331.821 3.336 20 30 EGEDRM Cc1cccc(OCCCC(=O)[N-]S(=O)(=O)C2CCCC2)c1 ZINC000086054750 1292727423 /nfs/dbraw/zinc/72/74/23/1292727423.db2.gz XANAJWSLSIAVEJ-UHFFFAOYSA-N -1 0 325.430 3.383 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)Cc2ccc(F)cc2F)c(C)c1 ZINC000088799942 1292756127 /nfs/dbraw/zinc/75/61/27/1292756127.db2.gz SCLXZAFQRBLVGN-UHFFFAOYSA-N -1 0 339.363 3.470 20 30 EGEDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)Cc1c(F)cccc1F ZINC000088799639 1292756781 /nfs/dbraw/zinc/75/67/81/1292756781.db2.gz PNINAMQTDHUICT-UHFFFAOYSA-N -1 0 325.336 3.161 20 30 EGEDRM COC[C@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1ccc(F)c(F)c1 ZINC000090987714 1292807482 /nfs/dbraw/zinc/80/74/82/1292807482.db2.gz QFRHCGROWJZBPC-UZSVJVCZSA-N -1 0 336.294 3.385 20 30 EGEDRM Cc1ccccc1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000091125601 1292820949 /nfs/dbraw/zinc/82/09/49/1292820949.db2.gz QYMUMTFSIKYEEI-UHFFFAOYSA-N -1 0 331.393 3.014 20 30 EGEDRM CCC[C@@H]1CCC[C@H]1C(=O)[N-]S(=O)(=O)CC1(C#N)CCCCC1 ZINC000835302387 1293257002 /nfs/dbraw/zinc/25/70/02/1293257002.db2.gz JQFGYCVYTSUGFK-HUUCEWRRSA-N -1 0 340.489 3.123 20 30 EGEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1cc(Cl)cc(Cl)c1 ZINC000119694390 1293283060 /nfs/dbraw/zinc/28/30/60/1293283060.db2.gz KYBONZAAYWSRDW-CYBMUJFWSA-N -1 0 325.195 3.375 20 30 EGEDRM C=CCn1c(=O)c2ccc(C(=O)N[C@H](C)CC(C)C)cc2[n-]c1=S ZINC000121728059 1293386125 /nfs/dbraw/zinc/38/61/25/1293386125.db2.gz QLLOWLAEBKZFMH-GFCCVEGCSA-N -1 0 345.468 3.036 20 30 EGEDRM Cc1c(C([O-])=C(C#N)C(=O)c2nccn2C)sc2cccc(F)c12 ZINC000122681961 1293420731 /nfs/dbraw/zinc/42/07/31/1293420731.db2.gz PXOICRWDNLFBDH-SNVBAGLBSA-N -1 0 341.367 3.288 20 30 EGEDRM CC(=CC(=O)C(C#N)=C([O-])c1nccn1C)c1ccccc1Cl ZINC000123151760 1293435253 /nfs/dbraw/zinc/43/52/53/1293435253.db2.gz RDXLNLOSNFPNGK-FUWURINLSA-N -1 0 327.771 3.069 20 30 EGEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1cccc(Oc2ccccc2)c1 ZINC000123317085 1293441076 /nfs/dbraw/zinc/44/10/76/1293441076.db2.gz RASPFARJOPOOMU-QGZVFWFLSA-N -1 0 345.358 3.418 20 30 EGEDRM CN(C)c1ccc(C#N)c([N-]S(=O)(=O)c2ccccc2Cl)c1 ZINC000123981683 1293462749 /nfs/dbraw/zinc/46/27/49/1293462749.db2.gz NVDXBVBGJAODFI-UHFFFAOYSA-N -1 0 335.816 3.078 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])c(/C=N\CCCOCCc2ccccc2)c1 ZINC000126932083 1293547740 /nfs/dbraw/zinc/54/77/40/1293547740.db2.gz XAZGWVGWDDIKTH-RGEXLXHISA-N -1 0 328.368 3.369 20 30 EGEDRM Cc1cccc([C@@H](O)C/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])c1 ZINC000128465125 1293594629 /nfs/dbraw/zinc/59/46/29/1293594629.db2.gz GUDLSKUGIUCHKG-AOVQIXHVSA-N -1 0 334.759 3.415 20 30 EGEDRM Cc1cccc(COc2cccc(C([O-])=C(C#N)C(=O)NC3CC3)c2)c1 ZINC000129328697 1293621596 /nfs/dbraw/zinc/62/15/96/1293621596.db2.gz JLKXHVBXLQEDPU-LJQANCHMSA-N -1 0 348.402 3.175 20 30 EGEDRM CC(C)NC(=O)C(C#N)=C([O-])c1ccc(-c2ccccc2Cl)o1 ZINC000130681342 1293665198 /nfs/dbraw/zinc/66/51/98/1293665198.db2.gz GJWXPAKNIUWFBX-LBPRGKRZSA-N -1 0 330.771 3.447 20 30 EGEDRM CC(C)NC(=O)C(C#N)=C([O-])c1ccc(SC(F)(F)F)cc1 ZINC000130731482 1293666669 /nfs/dbraw/zinc/66/66/69/1293666669.db2.gz MUXWCQOXBLPYBX-LLVKDONJSA-N -1 0 330.331 3.146 20 30 EGEDRM COCCOc1cc(C)ccc1C/N=C/c1cc([N+](=O)[O-])ccc1[O-] ZINC000132444728 1293719224 /nfs/dbraw/zinc/71/92/24/1293719224.db2.gz FXBDVLDRWOOXFC-XDHOZWIPSA-N -1 0 344.367 3.253 20 30 EGEDRM C=C[C@H](CC(=O)[N-]S(=O)(=O)c1ccccc1C)c1ccccc1 ZINC000135964331 1293804465 /nfs/dbraw/zinc/80/44/65/1293804465.db2.gz KYZZAYAXETZECC-OAHLLOKOSA-N -1 0 329.421 3.160 20 30 EGEDRM Cc1ccc2cc(C([O-])=C(C#N)C(=O)NC3CCCCC3)ccc2n1 ZINC000136584390 1293818511 /nfs/dbraw/zinc/81/85/11/1293818511.db2.gz YQJSJWBNKDWNSP-KRWDZBQOSA-N -1 0 335.407 3.315 20 30 EGEDRM C=CCc1cc(/C=C/C(=O)c2ccc(O)cc2[O-])cc(OC)c1O ZINC000156637793 1294152001 /nfs/dbraw/zinc/15/20/01/1294152001.db2.gz SQDXVEGUTFPYDE-VMPITWQZSA-N -1 0 326.348 3.437 20 30 EGEDRM N#C[C@@H]([N-]C(=O)C(F)(F)C1(O)CCC1)c1cccc(Cl)c1Cl ZINC000162067683 1294306516 /nfs/dbraw/zinc/30/65/16/1294306516.db2.gz IMXKAXDRLAQZKI-SNVBAGLBSA-N -1 0 349.164 3.225 20 30 EGEDRM COc1ccc(C(=O)CCC(=O)Nc2cc(C#N)ccc2[O-])cc1F ZINC000176217755 1294596417 /nfs/dbraw/zinc/59/64/17/1294596417.db2.gz YWDCFQWIYJWXNA-UHFFFAOYSA-N -1 0 342.326 3.013 20 30 EGEDRM COc1ccc(C(=O)/C=C/c2cc([O-])ccc2[N+](=O)[O-])cc1OC ZINC000176379179 1294601735 /nfs/dbraw/zinc/60/17/35/1294601735.db2.gz HMEHCTONKCCZCY-XVNBXDOJSA-N -1 0 329.308 3.214 20 30 EGEDRM CN(C)c1nc2sc(C(=O)Nc3cc(C#N)ccc3[O-])cc2s1 ZINC000176400101 1294603844 /nfs/dbraw/zinc/60/38/44/1294603844.db2.gz IZZDWCGQTWMCIT-UHFFFAOYSA-N -1 0 344.421 3.253 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])c(/C=N/Cc2cccc3c2OCCCO3)c1 ZINC000178984456 1294765367 /nfs/dbraw/zinc/76/53/67/1294765367.db2.gz MAPKBZCPTCOJGP-WOJGMQOQSA-N -1 0 328.324 3.081 20 30 EGEDRM C=CCCC[C@@H](C)NC(=O)c1ccc2c(c1)[n-]c(=S)n(CC)c2=O ZINC000179796397 1294828717 /nfs/dbraw/zinc/82/87/17/1294828717.db2.gz DIFCKFINMOJYMH-GFCCVEGCSA-N -1 0 345.468 3.180 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)/C=C(\C)c1cccc(C(F)(F)F)c1 ZINC000191248427 1295662532 /nfs/dbraw/zinc/66/25/32/1295662532.db2.gz OAOWAEMXBHQPFN-DHZHZOJOSA-N -1 0 327.302 3.208 20 30 EGEDRM Cc1ccn(C[C@H](C)C(=O)C(C#N)=C([O-])c2c(C)[nH]c3ccccc32)n1 ZINC000870122227 1295674082 /nfs/dbraw/zinc/67/40/82/1295674082.db2.gz HEZIZGZWPOVCAN-LRDDRELGSA-N -1 0 348.406 3.209 20 30 EGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)c1cnn(CC2CC2)c1 ZINC000870123245 1295677269 /nfs/dbraw/zinc/67/72/69/1295677269.db2.gz OAIRAIHKRITZEX-INIZCTEOSA-N -1 0 346.390 3.288 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1oc2c(c1C)C(=O)CCC2 ZINC000193367316 1295857074 /nfs/dbraw/zinc/85/70/74/1295857074.db2.gz BSWPNBGBFAOWOW-CYBMUJFWSA-N -1 0 344.411 3.126 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1sccc1Br ZINC000193379579 1295859905 /nfs/dbraw/zinc/85/99/05/1295859905.db2.gz JGPMNSVEQXHIII-SECBINFHSA-N -1 0 343.246 3.139 20 30 EGEDRM CC(C)NC(=O)C(C#N)=C([O-])c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3 ZINC000193485383 1295875015 /nfs/dbraw/zinc/87/50/15/1295875015.db2.gz MQLAHEGCGZSULH-LRDDRELGSA-N -1 0 337.423 3.140 20 30 EGEDRM COCCOc1ccc(/C=C\C(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000255074551 1296495188 /nfs/dbraw/zinc/49/51/88/1296495188.db2.gz RUGRIEWTLXTZEK-YWEYNIOJSA-N -1 0 343.335 3.222 20 30 EGEDRM C[C@@H](/N=C\c1cc(Br)ccc1O)C(=O)OC(C)(C)C ZINC000255496857 1296538277 /nfs/dbraw/zinc/53/82/77/1296538277.db2.gz FNEZISMZCYNJJA-KYZBGHIMSA-N -1 0 328.206 3.304 20 30 EGEDRM CCOc1cc(/C=C\C(=O)c2ccc([O-])c([N+](=O)[O-])c2)ccc1O ZINC000255440561 1296532976 /nfs/dbraw/zinc/53/29/76/1296532976.db2.gz PLNYCSKJXAKWBH-UTCJRWHESA-N -1 0 329.308 3.301 20 30 EGEDRM CC[C@H](C)[C@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])C(=O)OC(C)(C)C ZINC000255542366 1296544873 /nfs/dbraw/zinc/54/48/73/1296544873.db2.gz UEPCZJCXEUQOCQ-SVYSWQLHSA-N -1 0 336.388 3.476 20 30 EGEDRM COC(=O)COc1ccc(C(=O)/C=C\c2cc(F)c([O-])c(F)c2)cc1 ZINC000255556139 1296545946 /nfs/dbraw/zinc/54/59/46/1296545946.db2.gz QVKADOGLZVWGDU-UQCOIBPSSA-N -1 0 348.301 3.118 20 30 EGEDRM Cc1ccc(NC(=O)C2CC2)cc1N=Cc1ccc(O)c(O)c1O ZINC000255753339 1296565608 /nfs/dbraw/zinc/56/56/08/1296565608.db2.gz AFRCUJBBIKOWKC-UHFFFAOYSA-N -1 0 326.352 3.211 20 30 EGEDRM Cc1nc(-c2ccc(C)cc2)sc1C([O-])=C(C#N)C(=O)NC1CC1 ZINC000873499095 1297544919 /nfs/dbraw/zinc/54/49/19/1297544919.db2.gz WZZUIOJSTNKEST-AWEZNQCLSA-N -1 0 339.420 3.028 20 30 EGEDRM N#CCc1ccc(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2O)cc1 ZINC000387869596 1297597829 /nfs/dbraw/zinc/59/78/29/1297597829.db2.gz KAAXYHNOJVSONE-UHFFFAOYSA-N -1 0 340.763 3.052 20 30 EGEDRM O=C1c2c(F)ccc(F)c2OC/C1=C\c1ccc([O-])c([N+](=O)[O-])c1 ZINC000588425643 1298064528 /nfs/dbraw/zinc/06/45/28/1298064528.db2.gz HUORZLSAXMTBIM-WEVVVXLNSA-N -1 0 333.246 3.237 20 30 EGEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1ccnc(Oc2ccccc2)c1 ZINC000749342519 1299196732 /nfs/dbraw/zinc/19/67/32/1299196732.db2.gz CLILUIOSAABURE-QGZVFWFLSA-N -1 0 349.390 3.255 20 30 EGEDRM O=C([O-])c1ccoc1COc1ccc(C=NO[C@@H]2CCCCO2)cc1 ZINC000755821233 1300402561 /nfs/dbraw/zinc/40/25/61/1300402561.db2.gz CAKYYDFUHCRAKZ-QGZVFWFLSA-N -1 0 345.351 3.434 20 30 EGEDRM CC(=NNC(=S)Nc1ccc(C)cc1)c1cc(C(=O)[O-])ccc1O ZINC000757451527 1300671723 /nfs/dbraw/zinc/67/17/23/1300671723.db2.gz SDCREANNQVQSKK-UHFFFAOYSA-N -1 0 343.408 3.109 20 30 EGEDRM O=C(/C=C/c1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccc(F)cc1[O-] ZINC000757475367 1300674878 /nfs/dbraw/zinc/67/48/78/1300674878.db2.gz JOIPCCZFUPHUNP-DAFODLJHSA-N -1 0 345.282 3.107 20 30 EGEDRM COc1cc2c(cc1/C=C\C(=O)c1ccc(O)cc1[O-])O[C@H](C)C2 ZINC000757472578 1300675185 /nfs/dbraw/zinc/67/51/85/1300675185.db2.gz OWUJPCJHXBAIHS-ZTYXWKCZSA-N -1 0 326.348 3.326 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2cc(Cl)cs2)n1 ZINC000758755584 1300952341 /nfs/dbraw/zinc/95/23/41/1300952341.db2.gz JIUPOOCAGHOMKK-SECBINFHSA-N -1 0 340.813 3.200 20 30 EGEDRM O=c1c2ccccc2[n-]c(=S)n1N=Cc1cccc(Cl)c1F ZINC000759648430 1301136223 /nfs/dbraw/zinc/13/62/23/1301136223.db2.gz KQHQFUJMYIRHPD-UHFFFAOYSA-N -1 0 333.775 3.360 20 30 EGEDRM CC(C)(C)OC(=O)NC1(C(=O)Nc2cc(C#N)ccc2[O-])CCCC1 ZINC000759718471 1301148103 /nfs/dbraw/zinc/14/81/03/1301148103.db2.gz XPQJGUSSMDRXFW-UHFFFAOYSA-N -1 0 345.399 3.040 20 30 EGEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(O)cc1OC(C)C ZINC000761996769 1301585829 /nfs/dbraw/zinc/58/58/29/1301585829.db2.gz YHTQKNAAJNDTBZ-UHFFFAOYSA-N -1 0 346.408 3.160 20 30 EGEDRM COC(=O)c1cccc(COC(=O)c2ccc([O-])c(Cl)c2)c1C#N ZINC000762832954 1301761050 /nfs/dbraw/zinc/76/10/50/1301761050.db2.gz XSCKACZBVBCBED-UHFFFAOYSA-N -1 0 345.738 3.061 20 30 EGEDRM COc1ccc2c(c1)C(=NNc1cccc(C(=O)[O-])c1)CCCO2 ZINC000763106168 1301824570 /nfs/dbraw/zinc/82/45/70/1301824570.db2.gz OKKFUQGCORCNQL-UHFFFAOYSA-N -1 0 326.352 3.382 20 30 EGEDRM CC[C@H](C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1)C1CCC(C)CC1 ZINC000764754494 1302127764 /nfs/dbraw/zinc/12/77/64/1302127764.db2.gz WAPKQXSQASRRSX-PGEKIEPBSA-N -1 0 348.468 3.216 20 30 EGEDRM CCCCCCCC[C@H](C)CC(=O)[N-]S(=O)(=O)c1ccnn1C ZINC000765653241 1302297238 /nfs/dbraw/zinc/29/72/38/1302297238.db2.gz YZYDGVQMYWQEPZ-AWEZNQCLSA-N -1 0 343.493 3.002 20 30 EGEDRM COc1cc(C(=O)/C=C/c2cc(C(=O)[O-])cs2)cc(OC)c1OC ZINC000765822624 1302335333 /nfs/dbraw/zinc/33/53/33/1302335333.db2.gz AZYQUMGIMXDBFM-SNAWJCMRSA-N -1 0 348.376 3.368 20 30 EGEDRM COC(=O)c1coc(C(C)=NNc2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000766432403 1302452109 /nfs/dbraw/zinc/45/21/09/1302452109.db2.gz WXPGFFRUAFFNFF-UHFFFAOYSA-N -1 0 336.731 3.254 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2ccc(O)cc2OC(C)C)ccc1C#N ZINC000766571603 1302480166 /nfs/dbraw/zinc/48/01/66/1302480166.db2.gz RPODMQJXTMOLIX-UHFFFAOYSA-N -1 0 346.408 3.160 20 30 EGEDRM COc1cc(F)c(C(=O)/C=C/c2cc([O-])ccc2[N+](=O)[O-])cc1OC ZINC000772803315 1303579436 /nfs/dbraw/zinc/57/94/36/1303579436.db2.gz SMQORXDXTUWGEC-ZZXKWVIFSA-N -1 0 347.298 3.353 20 30 EGEDRM CC(=NNC(=S)Nc1c(C)cccc1C)c1ccc(C(=O)[O-])o1 ZINC000772995683 1303603851 /nfs/dbraw/zinc/60/38/51/1303603851.db2.gz DXJBRYRPEBAHKS-UHFFFAOYSA-N -1 0 331.397 3.305 20 30 EGEDRM O=C(C=Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1sccc1[O-] ZINC000773142779 1303633535 /nfs/dbraw/zinc/63/35/35/1303633535.db2.gz FLRYGYFBBJBZJE-UPHRSURJSA-N -1 0 333.321 3.029 20 30 EGEDRM C[C@H](Cc1ccccc1)n1cccc1C([O-])=C(C#N)C(=O)N1CCCC1 ZINC000773765588 1303737240 /nfs/dbraw/zinc/73/72/40/1303737240.db2.gz YEDKIJQFIDMDOE-AEFFLSMTSA-N -1 0 349.434 3.237 20 30 EGEDRM O=C([N-]OC1CCCC1)C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000775222333 1303926126 /nfs/dbraw/zinc/92/61/26/1303926126.db2.gz RHYCCXPUHFDZET-UHFFFAOYSA-N -1 0 348.402 3.015 20 30 EGEDRM C#CCOc1ccccc1[N-]S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000775298158 1303935890 /nfs/dbraw/zinc/93/58/90/1303935890.db2.gz JNUPRVDSERTROJ-UHFFFAOYSA-N -1 0 339.775 3.292 20 30 EGEDRM COc1cccc([C@@H](C#N)NC(=O)c2cccc(Cl)c2[O-])c1OC ZINC000775716768 1304020316 /nfs/dbraw/zinc/02/03/16/1304020316.db2.gz FSRBQOUEPXSKIH-CYBMUJFWSA-N -1 0 346.770 3.057 20 30 EGEDRM C#CCOc1ccccc1NC(=O)c1cccc(Br)c1[O-] ZINC000775951488 1304069248 /nfs/dbraw/zinc/06/92/48/1304069248.db2.gz HHFSBKRJBYUPAS-UHFFFAOYSA-N -1 0 346.180 3.419 20 30 EGEDRM C=CCSc1ccccc1C(=O)[N-]S(=O)(=O)CCC(C)C ZINC000777308296 1304281021 /nfs/dbraw/zinc/28/10/21/1304281021.db2.gz AAMKCBNZPDNRFP-UHFFFAOYSA-N -1 0 327.471 3.070 20 30 EGEDRM Cc1cc(C=NNc2[n-]cnc3ncnc2-3)c(C)n1-c1ccccc1F ZINC000777432923 1304294702 /nfs/dbraw/zinc/29/47/02/1304294702.db2.gz QGNRQMIZVJOHKB-UHFFFAOYSA-N -1 0 349.373 3.346 20 30 EGEDRM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000777930627 1304368188 /nfs/dbraw/zinc/36/81/88/1304368188.db2.gz METYTZYYXLRJMR-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM C=CC[C@@H](C(=O)[N-]S(=O)(=O)Cc1cccc(F)c1)c1ccccc1 ZINC000778726657 1304482428 /nfs/dbraw/zinc/48/24/28/1304482428.db2.gz QYPJCYQJTLQGDN-QGZVFWFLSA-N -1 0 347.411 3.132 20 30 EGEDRM CC(C)Cc1ccc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCCC2)cc1 ZINC000779318986 1304556277 /nfs/dbraw/zinc/55/62/77/1304556277.db2.gz SZCKFJGKPQEMRI-UHFFFAOYSA-N -1 0 348.468 3.029 20 30 EGEDRM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccccc1O[C@H](C)C#N ZINC000779848354 1304614095 /nfs/dbraw/zinc/61/40/95/1304614095.db2.gz MFRJOTOIXWELFW-LLVKDONJSA-N -1 0 334.372 3.226 20 30 EGEDRM C[C@H](Oc1cccc(/C=C/C(=O)c2ccnc(Cl)c2)c1)C(=O)[O-] ZINC000782186389 1304927252 /nfs/dbraw/zinc/92/72/52/1304927252.db2.gz YIIIJUKBOMQPOK-QRGHLMKCSA-N -1 0 331.755 3.483 20 30 EGEDRM COc1ccc(NN=Cc2ccc(OCCC(=O)[O-])c(OC)c2)cc1 ZINC000783857197 1305152610 /nfs/dbraw/zinc/15/26/10/1305152610.db2.gz WOJIRLNIJPACPQ-UHFFFAOYSA-N -1 0 344.367 3.003 20 30 EGEDRM C=CCCN(OCc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000783873633 1305156325 /nfs/dbraw/zinc/15/63/25/1305156325.db2.gz VZCRZDGWNVKMGQ-UHFFFAOYSA-N -1 0 342.351 3.451 20 30 EGEDRM CCCCC[C@H](C(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1)C(C)C ZINC000784100175 1305191396 /nfs/dbraw/zinc/19/13/96/1305191396.db2.gz YRMVQUOCCXJMOE-HNNXBMFYSA-N -1 0 344.415 3.202 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2ccccc2[C@@H](O)C(F)(F)F)cc1[O-] ZINC000785421378 1305348623 /nfs/dbraw/zinc/34/86/23/1305348623.db2.gz CVZGVEBMEAMISY-CQSZACIVSA-N -1 0 336.269 3.112 20 30 EGEDRM N#CC(C(=O)NCc1cccc(Cl)c1)=C([O-])c1cc(F)cc(F)c1 ZINC000786540088 1305593754 /nfs/dbraw/zinc/59/37/54/1305593754.db2.gz YJLZZXUJUXTLLG-HNNXBMFYSA-N -1 0 348.736 3.257 20 30 EGEDRM CCc1ncc(C([O-])=C(C#N)C(=O)N[C@H](CC)c2ccccc2)s1 ZINC000787040536 1305681432 /nfs/dbraw/zinc/68/14/32/1305681432.db2.gz LXXVNYXNRUOVTE-ZIAGYGMSSA-N -1 0 341.436 3.295 20 30 EGEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1ccc(C#N)s1)c1ccccc1 ZINC000787039216 1305681971 /nfs/dbraw/zinc/68/19/71/1305681971.db2.gz QGYGNEPDBGYHJB-GJZGRUSLSA-N -1 0 337.404 3.210 20 30 EGEDRM CC(=Nn1c(=O)c2ccccc2[n-]c1=S)c1cnn(C(C)C)c1C ZINC000787151798 1305697528 /nfs/dbraw/zinc/69/75/28/1305697528.db2.gz LWSZQPBACOVBHN-UHFFFAOYSA-N -1 0 341.440 3.043 20 30 EGEDRM CC(N=Nc1nnc(-c2ccccn2)s1)c1ccc(C(=O)[O-])cc1 ZINC000788030403 1305849596 /nfs/dbraw/zinc/84/95/96/1305849596.db2.gz OAXPAISQGPZQDC-UHFFFAOYSA-N -1 0 339.380 3.134 20 30 EGEDRM COc1cc(NN=Cc2cccc(OCC(=O)[O-])c2)ccc1Cl ZINC000788472319 1305951212 /nfs/dbraw/zinc/95/12/12/1305951212.db2.gz RYXXFPHGBOXBGP-UHFFFAOYSA-N -1 0 334.759 3.258 20 30 EGEDRM O=C([O-])[C@H]1CCC(N=Nc2ncnc3ccsc32)c2ccccc21 ZINC000789038307 1306073611 /nfs/dbraw/zinc/07/36/11/1306073611.db2.gz OTWDTJWQDUCJCA-LBPRGKRZSA-N -1 0 338.392 3.470 20 30 EGEDRM COc1cc(C=NN2CCC(C(C)(C)C)CC2)cc([N+](=O)[O-])c1[O-] ZINC000790178669 1306272309 /nfs/dbraw/zinc/27/23/09/1306272309.db2.gz HPOPANQQJPXTRM-UHFFFAOYSA-N -1 0 335.404 3.401 20 30 EGEDRM CC[C@@H](NN=C1CCSc2ccc(Br)cc21)C(=O)[O-] ZINC000793058619 1309289782 /nfs/dbraw/zinc/28/97/82/1309289782.db2.gz XCVIEKTWIBUKOU-SNVBAGLBSA-N -1 0 343.246 3.102 20 30 EGEDRM CCCOc1c(Cl)cc(C=NN[C@@H](CC)C(=O)[O-])cc1OCC ZINC000793077360 1309291928 /nfs/dbraw/zinc/29/19/28/1309291928.db2.gz FAPYNOVJUDJBFY-ZDUSSCGKSA-N -1 0 342.823 3.314 20 30 EGEDRM COC(=O)c1coc(C(=O)/C=C/c2cc(C(=O)[O-])c(C)cc2C)c1 ZINC000794942781 1309628890 /nfs/dbraw/zinc/62/88/90/1309628890.db2.gz FONLPAYKGFQLAV-SNAWJCMRSA-N -1 0 328.320 3.277 20 30 EGEDRM CC(F)(F)c1ccc(C([O-])=C(C#N)C(=O)NCc2ccccc2)cc1 ZINC000796743534 1310078766 /nfs/dbraw/zinc/07/87/66/1310078766.db2.gz BHGIUTIPMHUITN-MRXNPFEDSA-N -1 0 342.345 3.437 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)NCC(c1ccccc1)c1ccccc1 ZINC000797703541 1310234500 /nfs/dbraw/zinc/23/45/00/1310234500.db2.gz FMDFMWNDAFPYPO-UHFFFAOYSA-N -1 0 338.407 3.101 20 30 EGEDRM COc1ccccc1CON=Cc1ccc(OCCC(=O)[O-])cc1 ZINC000799117434 1310489886 /nfs/dbraw/zinc/48/98/86/1310489886.db2.gz LJVBJPOGGUZPCZ-UHFFFAOYSA-N -1 0 329.352 3.099 20 30 EGEDRM CCCCCCCS(=O)(=O)[N-]c1noc(Cc2ccccc2)n1 ZINC000799646707 1310595408 /nfs/dbraw/zinc/59/54/08/1310595408.db2.gz NIMLZXMQRRNZRB-UHFFFAOYSA-N -1 0 337.445 3.373 20 30 EGEDRM Cc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1cc(C#N)ccc1[O-] ZINC000801178067 1310877121 /nfs/dbraw/zinc/87/71/21/1310877121.db2.gz DIMXOMGKVCFPQG-UHFFFAOYSA-N -1 0 336.326 3.149 20 30 EGEDRM C[C@@H](Oc1cccc(C(=O)/C=C\c2cnn(C3CCC3)c2)c1)C(=O)[O-] ZINC000899350934 1316998579 /nfs/dbraw/zinc/99/85/79/1316998579.db2.gz USJIRSJHQVKJFO-LJTDUEICSA-N -1 0 340.379 3.356 20 30 EGEDRM Cc1ccc([C@@H](CC(=O)N[C@@H](C)c2cccc(C#N)c2)C(=O)[O-])cc1 ZINC000899770222 1317151137 /nfs/dbraw/zinc/15/11/37/1317151137.db2.gz KWJUZSAFNNSFBG-KBXCAEBGSA-N -1 0 336.391 3.302 20 30 EGEDRM C#C[C@@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccc(Cl)cc1F ZINC000804422806 1317233573 /nfs/dbraw/zinc/23/35/73/1317233573.db2.gz XZDVIZRNPXVISV-CYBMUJFWSA-N -1 0 348.717 3.197 20 30 EGEDRM C=CCC[C@H](NC(=O)Nc1cc(OCC)ccc1Cl)C(=O)[O-] ZINC000900337437 1317276558 /nfs/dbraw/zinc/27/65/58/1317276558.db2.gz IVYKPGYUZWERCM-LBPRGKRZSA-N -1 0 326.780 3.280 20 30 EGEDRM N#C[C@@H]1CCCN(C(=O)c2cc(Cl)cc(Br)c2[O-])C1 ZINC000900632782 1317316236 /nfs/dbraw/zinc/31/62/36/1317316236.db2.gz BGZWWTHCOBPIJO-QMMMGPOBSA-N -1 0 343.608 3.184 20 30 EGEDRM CC(N=Nc1ccc(C(=O)[O-])cc1F)c1cnn(CC2CCC2)c1 ZINC000901249566 1317396954 /nfs/dbraw/zinc/39/69/54/1317396954.db2.gz YNWXXVIWSBLZGO-UHFFFAOYSA-N -1 0 330.363 3.357 20 30 EGEDRM CC(=O)Nc1ccc(/C=C2/C[C@@H](C(=O)[O-])c3ccccc3C2=O)cc1 ZINC000806562292 1317501963 /nfs/dbraw/zinc/50/19/63/1317501963.db2.gz IDDLHVLIOQKTSQ-RXEWJAMOSA-N -1 0 335.359 3.483 20 30 EGEDRM COc1ccc(C(=O)/C=C/c2cn(-c3ccccc3C)nn2)c([O-])c1 ZINC000806573882 1317504574 /nfs/dbraw/zinc/50/45/74/1317504574.db2.gz VIDYHSCJUBOCBZ-JXMROGBWSA-N -1 0 335.363 3.186 20 30 EGEDRM Cc1cc(C#N)c([N-]S(=O)(=O)c2ccc3c(c2)CCCC3=O)s1 ZINC000903169428 1317667613 /nfs/dbraw/zinc/66/76/13/1317667613.db2.gz KICADNCZZOLQPK-UHFFFAOYSA-N -1 0 346.433 3.248 20 30 EGEDRM Cc1cc(C#N)c([N-]S(=O)(=O)C[C@@]2(C)CC2(Cl)Cl)s1 ZINC000903169590 1317667900 /nfs/dbraw/zinc/66/79/00/1317667900.db2.gz MFFGEFNLYZRPCB-SNVBAGLBSA-N -1 0 339.269 3.254 20 30 EGEDRM O=C(/C=C\c1ccc(N2CCC(O)CC2)cc1)c1ccc(F)cc1[O-] ZINC000905075857 1317919441 /nfs/dbraw/zinc/91/94/41/1317919441.db2.gz YUCLHCBDNOXVNW-BAQGIRSFSA-N -1 0 341.382 3.389 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]23)CC1 ZINC000810983665 1318086461 /nfs/dbraw/zinc/08/64/61/1318086461.db2.gz FHVJGRSCRODREB-SOUVJXGZSA-N -1 0 325.474 3.148 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2cc3ccc(F)cc3s2)CC1 ZINC000810988154 1318088166 /nfs/dbraw/zinc/08/81/66/1318088166.db2.gz KBIBUAXKIOLDOA-UHFFFAOYSA-N -1 0 339.413 3.209 20 30 EGEDRM N#Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000811831068 1318275981 /nfs/dbraw/zinc/27/59/81/1318275981.db2.gz RQGMELZSISSGAC-UHFFFAOYSA-N -1 0 346.170 3.200 20 30 EGEDRM C#CCCCC(=O)N[C@@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000908420969 1318342798 /nfs/dbraw/zinc/34/27/98/1318342798.db2.gz ZXCDGSGFPDWPKO-ZDUSSCGKSA-N -1 0 327.302 3.141 20 30 EGEDRM C#CCOc1cccc(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)c1 ZINC000908782926 1318401752 /nfs/dbraw/zinc/40/17/52/1318401752.db2.gz TYAKLMJNBLPKTO-UHFFFAOYSA-N -1 0 327.380 3.062 20 30 EGEDRM C#CCC1(C(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)CCCCC1 ZINC000909425083 1318472745 /nfs/dbraw/zinc/47/27/45/1318472745.db2.gz UURDQOUJHPSZAL-QGZVFWFLSA-N -1 0 325.408 3.171 20 30 EGEDRM C=CCSc1ccccc1C(=O)N[C@@H](CC(=O)[O-])C(F)(F)F ZINC000911157098 1318722274 /nfs/dbraw/zinc/72/22/74/1318722274.db2.gz IQXJVBUNZBFGAI-NSHDSACASA-N -1 0 333.331 3.100 20 30 EGEDRM CCOc1ccc(NC(=S)NN=C2CC[C@H](CC(=O)[O-])[C@H]2C)cc1 ZINC000814717834 1318804121 /nfs/dbraw/zinc/80/41/21/1318804121.db2.gz UMDHVYMXRIXDHB-VXGBXAGGSA-N -1 0 349.456 3.249 20 30 EGEDRM CCN1C(=O)C(=NN=Cc2cc(C(=O)[O-])c(C)cc2C)c2ccccc21 ZINC000814730216 1318807312 /nfs/dbraw/zinc/80/73/12/1318807312.db2.gz MAEPZYBOULBEIF-UHFFFAOYSA-N -1 0 349.390 3.191 20 30 EGEDRM Cc1ccc(F)c(NC(=S)NN=C2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c1 ZINC000814820047 1318823668 /nfs/dbraw/zinc/82/36/68/1318823668.db2.gz RKQJJJAUNLFELW-CMPLNLGQSA-N -1 0 337.420 3.297 20 30 EGEDRM COc1cc(C(C)=NNC2CCCC2)ccc1OCCCC(=O)[O-] ZINC000814832265 1318828672 /nfs/dbraw/zinc/82/86/72/1318828672.db2.gz ATTDRNWEZRQRJB-UHFFFAOYSA-N -1 0 334.416 3.195 20 30 EGEDRM Cc1ccc(N=NC(C)CCc2ccc(O[C@H](C)C(=O)[O-])cc2)nn1 ZINC000814841003 1318829614 /nfs/dbraw/zinc/82/96/14/1318829614.db2.gz XKLZBTZUROXWEY-CQSZACIVSA-N -1 0 342.399 3.058 20 30 EGEDRM Cc1cc(C)c(C(=O)[O-])cc1CN=Nc1ccc(C(F)(F)F)nn1 ZINC000814885529 1318839783 /nfs/dbraw/zinc/83/97/83/1318839783.db2.gz CJDRYAYPXZUKHL-UHFFFAOYSA-N -1 0 338.289 3.256 20 30 EGEDRM CSCCON=C(C)CCc1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000814921760 1318849473 /nfs/dbraw/zinc/84/94/73/1318849473.db2.gz AOBSCBMUASRCOQ-ZDUSSCGKSA-N -1 0 325.430 3.227 20 30 EGEDRM CC[C@H](NN=C1CCCc2sc(Br)cc21)C(=O)[O-] ZINC000814936819 1318854483 /nfs/dbraw/zinc/85/44/83/1318854483.db2.gz KZCFCDZIPUTJBG-QMMMGPOBSA-N -1 0 331.235 3.004 20 30 EGEDRM CC(=O)Nc1ccc(/C=C\C(=O)c2cccc(OCC(=O)[O-])c2)cc1 ZINC000916157074 1319611442 /nfs/dbraw/zinc/61/14/42/1319611442.db2.gz NDGAVCNFQMFXGX-YFHOEESVSA-N -1 0 339.347 3.005 20 30 EGEDRM Cc1nnc(NN=Cc2c3ccccc3[nH]c2-c2ccccc2)[n-]c1=O ZINC000916284201 1319632596 /nfs/dbraw/zinc/63/25/96/1319632596.db2.gz QNKKYAQLQJLEBN-UHFFFAOYSA-N -1 0 344.378 3.480 20 30 EGEDRM C=CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)c(C)c1 ZINC000916621904 1319686435 /nfs/dbraw/zinc/68/64/35/1319686435.db2.gz PQTUTPVVYNVOCX-UHFFFAOYSA-N -1 0 349.383 3.278 20 30 EGEDRM C=C(C)C(C)(C)C(=O)C(C#N)=C([O-])c1c(C)[nH]c(C)c1C(=O)OCC ZINC000819951583 1319809899 /nfs/dbraw/zinc/80/98/99/1319809899.db2.gz CWESWQWAUSANIA-ZDUSSCGKSA-N -1 0 344.411 3.302 20 30 EGEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)C1CCCCC1 ZINC000917507465 1319823616 /nfs/dbraw/zinc/82/36/16/1319823616.db2.gz XOFXFFCLEDDBFN-CQSZACIVSA-N -1 0 344.411 3.280 20 30 EGEDRM C=CCN(C(C)C)S(=O)(=O)c1cc(C(=O)[O-])ccc1C(C)C ZINC000917925302 1319889606 /nfs/dbraw/zinc/88/96/06/1319889606.db2.gz AJWNPZHQBGJFLJ-UHFFFAOYSA-N -1 0 325.430 3.093 20 30 EGEDRM C=C[C@@H](C)O[N-]C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 ZINC000824033350 1320224094 /nfs/dbraw/zinc/22/40/94/1320224094.db2.gz JVGAZKARWVCHSR-TZMCWYRMSA-N -1 0 332.400 3.148 20 30 EGEDRM C=CCC[C@@H](NC(=O)N[C@H]1CC2(CCC2)Oc2ccccc21)C(=O)[O-] ZINC000837299191 1320594552 /nfs/dbraw/zinc/59/45/52/1320594552.db2.gz SWQPDXSRZNHIDP-CABCVRRESA-N -1 0 344.411 3.152 20 30 EGEDRM C=CCC[C@@H](/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-])C(=O)OCC ZINC000840710384 1321132543 /nfs/dbraw/zinc/13/25/43/1321132543.db2.gz RWHXPCWQSYVUDJ-UDPFGDFPSA-N -1 0 340.763 3.271 20 30 EGEDRM CC(C)CNN=Cc1cccc(O[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000842530006 1321400208 /nfs/dbraw/zinc/40/02/08/1321400208.db2.gz FADDILQSGZZRJJ-GOSISDBHSA-N -1 0 326.396 3.471 20 30 EGEDRM CCCc1ccc(CCCC(=O)C(C#N)=C([O-])c2nccn2C)cc1 ZINC000842739433 1321426404 /nfs/dbraw/zinc/42/64/04/1321426404.db2.gz AFRNBSICSLDVSJ-KRWDZBQOSA-N -1 0 337.423 3.287 20 30 EGEDRM C=C(C)CO[N-]C(=O)C(=O)Nc1cccc(CSC2CCCC2)c1 ZINC000846149938 1321771993 /nfs/dbraw/zinc/77/19/93/1321771993.db2.gz VIQFNVSPKKKTAK-UHFFFAOYSA-N -1 0 348.468 3.425 20 30 EGEDRM C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccc2c(c1)C(C)(C)CC2(C)C ZINC000846153530 1321772072 /nfs/dbraw/zinc/77/20/72/1321772072.db2.gz JFYLJJUZEWLHJD-GFCCVEGCSA-N -1 0 330.428 3.206 20 30 EGEDRM C=C[C@H](C)O[N-]C(=O)Cc1csc(COc2ccc(C)cc2)n1 ZINC000846544961 1321792221 /nfs/dbraw/zinc/79/22/21/1321792221.db2.gz ZTRYGUNEEKTXSB-ZDUSSCGKSA-N -1 0 332.425 3.195 20 30 EGEDRM C=C[C@H](C)O[N-]C(=O)COc1ccc(Br)cc1Cl ZINC000846544390 1321792345 /nfs/dbraw/zinc/79/23/45/1321792345.db2.gz WUNLLKLNGFMCSB-QMMMGPOBSA-N -1 0 334.597 3.104 20 30 EGEDRM CCc1nc2c(s1)C(=NNc1ccc(CC(=O)[O-])cc1)CCC2 ZINC000848416105 1321958507 /nfs/dbraw/zinc/95/85/07/1321958507.db2.gz ZAQPYMJXHHQDNR-UHFFFAOYSA-N -1 0 329.425 3.485 20 30 EGEDRM Cc1cccc(-c2ccc(C(=O)N3CCC[C@H]3C(=O)[O-])cc2)c1C#N ZINC000849476527 1322123649 /nfs/dbraw/zinc/12/36/49/1322123649.db2.gz SJDRTBJRPVPVSJ-SFHVURJKSA-N -1 0 334.375 3.223 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])C=Cc2cccs2)n1 ZINC000920328258 1322163831 /nfs/dbraw/zinc/16/38/31/1322163831.db2.gz XHASGDUYOYBLRB-GZTOBOFZSA-N -1 0 332.406 3.271 20 30 EGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)Cn1cc(C2CC2)cn1 ZINC000850739494 1322281466 /nfs/dbraw/zinc/28/14/66/1322281466.db2.gz LWQRGOJWWZTEOQ-INIZCTEOSA-N -1 0 346.390 3.142 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cccc(N2CCCC2)c1 ZINC000850752311 1322284631 /nfs/dbraw/zinc/28/46/31/1322284631.db2.gz MXERXOTXSZYWCI-GOSISDBHSA-N -1 0 341.455 3.306 20 30 EGEDRM CC(C)NC(=O)C(C#N)=C([O-])c1cccc(SC(F)(F)F)c1 ZINC000850762546 1322285415 /nfs/dbraw/zinc/28/54/15/1322285415.db2.gz YVQVEBACGFCWRQ-LLVKDONJSA-N -1 0 330.331 3.146 20 30 EGEDRM C=CCS(=O)(=O)[N-]C(=O)[C@@H](CC(C)C)c1ccc(Cl)cc1 ZINC000850912835 1322310181 /nfs/dbraw/zinc/31/01/81/1322310181.db2.gz HUOVNUFYNLDQTJ-AWEZNQCLSA-N -1 0 329.849 3.102 20 30 EGEDRM CC(C)c1ccccc1C(=O)[N-]S(=O)(=O)CC1(C#N)CCCCC1 ZINC000850949523 1322315635 /nfs/dbraw/zinc/31/56/35/1322315635.db2.gz YAPUCCQTGJXMCT-UHFFFAOYSA-N -1 0 348.468 3.344 20 30 EGEDRM N#CC1(CC(=O)[N-]S(=O)(=O)c2sccc2Cl)CCCCC1 ZINC000851073070 1322330754 /nfs/dbraw/zinc/33/07/54/1322330754.db2.gz QOZSOHGJSFYVML-UHFFFAOYSA-N -1 0 346.861 3.071 20 30 EGEDRM C=C[C@](C)(CCOC)C(=O)Nc1cc(C(=O)[O-])cc2cccnc21 ZINC000923120418 1322695625 /nfs/dbraw/zinc/69/56/25/1322695625.db2.gz RRYMIKWQMFXWBE-GOSISDBHSA-N -1 0 328.368 3.100 20 30 EGEDRM C#CC[C@@H](NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)c1ccccc1 ZINC000851652363 1323069470 /nfs/dbraw/zinc/06/94/70/1323069470.db2.gz UPNREVGTMNFDLR-DOTOQJQBSA-N -1 0 330.428 3.187 20 30 EGEDRM CCOc1ccc(C=Nn2c(=S)[n-]nc2C(F)(F)F)c(C)c1 ZINC000853266567 1325073799 /nfs/dbraw/zinc/07/37/99/1325073799.db2.gz JSPCJJRGTQWSTA-UHFFFAOYSA-N -1 0 330.335 3.175 20 30 EGEDRM CC(C)NC(=O)C(C#N)=C([O-])c1ccc(OC(F)(F)F)c(Cl)c1 ZINC000860473136 1329321717 /nfs/dbraw/zinc/32/17/17/1329321717.db2.gz TZIJQVLCRGKIAG-VIFPVBQESA-N -1 0 348.708 3.086 20 30 EGEDRM C=CCC[C@H](NC(=O)N[C@@H](C)c1cccc(OC(F)F)c1)C(=O)[O-] ZINC000929031662 1328492574 /nfs/dbraw/zinc/49/25/74/1328492574.db2.gz UOKBIMOQYWVKIJ-GWCFXTLKSA-N -1 0 342.342 3.068 20 30 EGEDRM C#CC[C@H](NC(=O)N(C)C1(C(=O)[O-])CCCCC1)c1ccccc1 ZINC000929033632 1328493641 /nfs/dbraw/zinc/49/36/41/1328493641.db2.gz MTEGETDYXFCZJU-INIZCTEOSA-N -1 0 328.412 3.180 20 30 EGEDRM N#Cc1cnnc(-c2ccccc2)c1NC(=O)Cc1ccc([S-])cc1 ZINC001183186239 1387274796 /nfs/dbraw/zinc/27/47/96/1387274796.db2.gz JPCWTRXXPDFQSR-UHFFFAOYSA-N -1 0 346.415 3.485 20 30 EGEDRM COC(=O)c1cc(C)c(C)c(NC(=O)CCC(=O)C2=CC=C[CH]2)c1 ZINC001184243522 1387418461 /nfs/dbraw/zinc/41/84/61/1387418461.db2.gz GPMOCBVFFAVEPU-UHFFFAOYSA-N -1 0 326.372 3.078 20 30 EGEDRM Cc1ccc(C)c(N2CCN(C(=O)CCC(=O)C3=CC=C[CH]3)CC2)c1 ZINC001184242132 1387418469 /nfs/dbraw/zinc/41/84/69/1387418469.db2.gz ZMVVEAVDHFVGEB-UHFFFAOYSA-N -1 0 337.443 3.002 20 30 EGEDRM Nc1cc(F)c(C(F)(F)F)cc1NC(=O)CCC(=O)C1=CC=C[CH]1 ZINC001184245581 1387419369 /nfs/dbraw/zinc/41/93/69/1387419369.db2.gz UISPIGIZAMAMRX-UHFFFAOYSA-N -1 0 341.284 3.415 20 30 EGEDRM Cc1cccc(-n2cnc(C(=O)[N-]c3c(C#N)oc4ccccc43)n2)c1 ZINC001184665897 1387506298 /nfs/dbraw/zinc/50/62/98/1387506298.db2.gz ASBBVQDACCBVOE-UHFFFAOYSA-N -1 0 343.346 3.446 20 30 EGEDRM N#Cc1sccc1[N-]S(=O)(=O)c1ccc(-c2cnco2)cc1 ZINC001185191581 1387642485 /nfs/dbraw/zinc/64/24/85/1387642485.db2.gz GRTHJSRRUXGQGL-UHFFFAOYSA-N -1 0 331.378 3.076 20 30 EGEDRM N#CCCN(Cc1cccnc1)C(=O)C=C([O-])c1ccccc1Cl ZINC001185427475 1387714205 /nfs/dbraw/zinc/71/42/05/1387714205.db2.gz WIMVCIYHNOUDBD-UHFFFAOYSA-N -1 0 341.798 3.250 20 30 EGEDRM N#Cc1oc2ccccc2c1[N-]S(=O)(=O)c1ccc(Cl)nc1 ZINC001185650146 1387768619 /nfs/dbraw/zinc/76/86/19/1387768619.db2.gz NRVIOVXHEMKRGO-UHFFFAOYSA-N -1 0 333.756 3.154 20 30 EGEDRM C=CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(F)c1C ZINC001185836563 1387811315 /nfs/dbraw/zinc/81/13/15/1387811315.db2.gz REBBEEMSZFQIFS-UHFFFAOYSA-N -1 0 349.383 3.278 20 30 EGEDRM Cc1sc([N-]S(=O)(=O)Cc2cccc(F)c2F)c(C#N)c1C ZINC001189416840 1367016519 /nfs/dbraw/zinc/01/65/19/1367016519.db2.gz DENNWAFJWOKCHO-UHFFFAOYSA-N -1 0 342.392 3.457 20 30 EGEDRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2c(F)cccc2C#N)c1 ZINC001189605953 1367066275 /nfs/dbraw/zinc/06/62/75/1367066275.db2.gz LPJUETJMQZWMQT-UHFFFAOYSA-N -1 0 340.763 3.160 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2csc3cnccc23)c1 ZINC001190617483 1367309747 /nfs/dbraw/zinc/30/97/47/1367309747.db2.gz KTDLQLMMURLUJZ-UHFFFAOYSA-N -1 0 333.369 3.108 20 30 EGEDRM CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2F)cc1 ZINC001190647907 1367315244 /nfs/dbraw/zinc/31/52/44/1367315244.db2.gz MFRGNOVWFCUDKB-UHFFFAOYSA-N -1 0 343.383 3.299 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cc(Cl)ccc2C#N)c1 ZINC001190650595 1367316287 /nfs/dbraw/zinc/31/62/87/1367316287.db2.gz HWCCZZSIWOKBRO-UHFFFAOYSA-N -1 0 335.747 3.023 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)NC2(c3cccc(F)c3)CCC2)c1 ZINC001190677655 1367326374 /nfs/dbraw/zinc/32/63/74/1367326374.db2.gz QOPUXDLEJCPGPV-UHFFFAOYSA-N -1 0 348.374 3.194 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)N[C@@H](c2cccc(F)c2)C2CC2)c1 ZINC001190676718 1367326964 /nfs/dbraw/zinc/32/69/64/1367326964.db2.gz AYIBFWXBFAHTGQ-QGZVFWFLSA-N -1 0 348.374 3.266 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]c2scc(C)c2C(=O)OCC)CC1 ZINC001190766771 1367345355 /nfs/dbraw/zinc/34/53/55/1367345355.db2.gz YBGKWESAFAYDQN-UHFFFAOYSA-N -1 0 329.443 3.084 20 30 EGEDRM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1ncc(C)cc1C#N ZINC001191662154 1367556648 /nfs/dbraw/zinc/55/66/48/1367556648.db2.gz OZRHSLVLEQBIIZ-UHFFFAOYSA-N -1 0 345.424 3.195 20 30 EGEDRM Cc1c(Cl)ccc(S(=O)(=O)[N-]c2cccc(C#N)n2)c1Cl ZINC001191728789 1367572591 /nfs/dbraw/zinc/57/25/91/1367572591.db2.gz MFZHPZRAYSXVBR-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM Cc1cc(Cl)ncc1S(=O)(=O)[N-]c1ccc(Cl)c(C#N)c1 ZINC001192356542 1367761089 /nfs/dbraw/zinc/76/10/89/1367761089.db2.gz SMBMFNXNFOCPIT-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM N#CCS(=O)(=O)Nc1c(Cl)ccc(C(F)(F)F)c1Cl ZINC001192980353 1367915758 /nfs/dbraw/zinc/91/57/58/1367915758.db2.gz HTWHIMUHJAXLHE-UHFFFAOYSA-N -1 0 333.118 3.277 20 30 EGEDRM C[C@H](C#N)S(=O)(=O)[N-]c1c(Cl)ccc2nc(Cl)ccc21 ZINC001193146707 1367954241 /nfs/dbraw/zinc/95/42/41/1367954241.db2.gz REMHMEMETQERSB-SSDOTTSWSA-N -1 0 330.196 3.195 20 30 EGEDRM C[C@H](C#N)S(=O)(=O)[N-]c1cccc2cccc(Br)c21 ZINC001193161505 1367956872 /nfs/dbraw/zinc/95/68/72/1367956872.db2.gz QNKVUPNQZBUZQU-SECBINFHSA-N -1 0 339.214 3.256 20 30 EGEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1cc(Br)cc2ccccc21 ZINC001193160852 1367957097 /nfs/dbraw/zinc/95/70/97/1367957097.db2.gz IQUWXSVXLCEHQA-VIFPVBQESA-N -1 0 339.214 3.256 20 30 EGEDRM N#Cc1cc(C(=O)Nc2cncc(OCc3ccccc3)c2)ccc1[O-] ZINC001193499846 1368045882 /nfs/dbraw/zinc/04/58/82/1368045882.db2.gz WHORZUWVLKDQEH-UHFFFAOYSA-N -1 0 345.358 3.490 20 30 EGEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2ccc(C3CC3)cc2)c1 ZINC001193681417 1368093114 /nfs/dbraw/zinc/09/31/14/1368093114.db2.gz XWFPBRXVIRQEOA-UHFFFAOYSA-N -1 0 328.393 3.245 20 30 EGEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)ccc1C#N ZINC001194301449 1368226429 /nfs/dbraw/zinc/22/64/29/1368226429.db2.gz JTXFIWAEISNIRL-UHFFFAOYSA-N -1 0 341.314 3.081 20 30 EGEDRM C#Cc1cc([N-]S(=O)(=O)c2ncccc2C(F)(F)F)ccc1F ZINC001194568745 1368289035 /nfs/dbraw/zinc/28/90/35/1368289035.db2.gz NXOWWCVPGPWBRL-UHFFFAOYSA-N -1 0 344.289 3.022 20 30 EGEDRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1c(C#N)cnn1C(C)C ZINC001195277477 1368413215 /nfs/dbraw/zinc/41/32/15/1368413215.db2.gz IOGUEJCTPHDQCD-UHFFFAOYSA-N -1 0 338.820 3.098 20 30 EGEDRM COc1cccc([N-]S(=O)(=O)c2c(C)cccc2Cl)c1C#N ZINC001195309934 1368418566 /nfs/dbraw/zinc/41/85/66/1368418566.db2.gz QIUQXIUPYUUNCS-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM Cc1noc(NC(=O)c2ccc(Cl)c(C(F)(F)F)n2)c1C#N ZINC001195656612 1368466080 /nfs/dbraw/zinc/46/60/80/1368466080.db2.gz WVBOCXOWWQYQDR-UHFFFAOYSA-N -1 0 330.653 3.174 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2ncccc2OCc2ccccc2)c([O-])c1 ZINC001195733633 1368479597 /nfs/dbraw/zinc/47/95/97/1368479597.db2.gz UYEDMXHJKQTXCN-UHFFFAOYSA-N -1 0 345.358 3.490 20 30 EGEDRM Cc1c(Br)ccc(N)c1NC(=O)c1ccc(C#N)cc1[O-] ZINC001195759160 1368483275 /nfs/dbraw/zinc/48/32/75/1368483275.db2.gz XFOMYVYVMIPBHS-UHFFFAOYSA-N -1 0 346.184 3.169 20 30 EGEDRM CC(C)C[C@@H](CC(=O)OC(C)(C)C)NC(=O)c1ccc(C#N)cc1[O-] ZINC001195767826 1368486355 /nfs/dbraw/zinc/48/63/55/1368486355.db2.gz AOOJSBRJZYPOQT-AWEZNQCLSA-N -1 0 346.427 3.140 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(C#N)c(F)c2)c(F)c1 ZINC001196386969 1368603973 /nfs/dbraw/zinc/60/39/73/1368603973.db2.gz GZTJCGAUYLXNSP-UHFFFAOYSA-N -1 0 326.299 3.085 20 30 EGEDRM Cc1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)c1C#N ZINC001196679565 1368660795 /nfs/dbraw/zinc/66/07/95/1368660795.db2.gz BOWAZXRIOAAYLE-UHFFFAOYSA-N -1 0 331.784 3.193 20 30 EGEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc2c1CCC2=O ZINC001196679760 1368660870 /nfs/dbraw/zinc/66/08/70/1368660870.db2.gz KFLHPZYUJMVNLI-UHFFFAOYSA-N -1 0 346.795 3.141 20 30 EGEDRM N#Cc1sccc1[N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC001197646204 1368862057 /nfs/dbraw/zinc/86/20/57/1368862057.db2.gz RMPYMUDSJQIDJI-UHFFFAOYSA-N -1 0 330.793 3.354 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2sc3c(c2C#N)CCCC3)cn1 ZINC001198266108 1368993795 /nfs/dbraw/zinc/99/37/95/1368993795.db2.gz UPWXRMQJDWJBND-UHFFFAOYSA-N -1 0 333.438 3.003 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2oc(-c3ccccc3)cc2C#N)cn1 ZINC001198276134 1368995843 /nfs/dbraw/zinc/99/58/43/1368995843.db2.gz CHACBOKLEAUIFE-UHFFFAOYSA-N -1 0 339.376 3.323 20 30 EGEDRM Cc1cc(C#N)cc(C#N)c1[N-]S(=O)(=O)c1ccc2occc2c1 ZINC001198859578 1369133506 /nfs/dbraw/zinc/13/35/06/1369133506.db2.gz XCCKHDRCZSAIPZ-UHFFFAOYSA-N -1 0 337.360 3.285 20 30 EGEDRM N#Cc1c(F)cc([N-]S(=O)(=O)c2ccc3occc3c2)cc1F ZINC001198870560 1369135461 /nfs/dbraw/zinc/13/54/61/1369135461.db2.gz PMKOKEXGXHHVEX-UHFFFAOYSA-N -1 0 334.303 3.383 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(C3CCC3)nc2)cc1C#N ZINC001201294941 1369512570 /nfs/dbraw/zinc/51/25/70/1369512570.db2.gz GMQGMWCSCGYEDQ-UHFFFAOYSA-N -1 0 327.409 3.330 20 30 EGEDRM N#Cc1ccc(-c2csc([N-]S(=O)(=O)c3ccco3)n2)s1 ZINC001186819520 1388011307 /nfs/dbraw/zinc/01/13/07/1388011307.db2.gz FZYWBJYHPYHYOJ-UHFFFAOYSA-N -1 0 337.407 3.137 20 30 EGEDRM CCOC(=O)c1c(C)oc(Nc2ccc(C(=O)[O-])cc2F)c1C#N ZINC001203286846 1370062989 /nfs/dbraw/zinc/06/29/89/1370062989.db2.gz UDWNKNYVPUAPJP-UHFFFAOYSA-N -1 0 332.287 3.217 20 30 EGEDRM CC(C)(C)C(=O)Nc1ccc(/C=N/O)nc1-c1ccsc1C(=O)[O-] ZINC001205543074 1370785888 /nfs/dbraw/zinc/78/58/88/1370785888.db2.gz ZQUANVUWQFWZGB-CAOOACKPSA-N -1 0 347.396 3.301 20 30 EGEDRM CCCCCCCC(=O)[N-]S(=O)(=O)N(CC)C1CCCCC1 ZINC001116002894 1370819038 /nfs/dbraw/zinc/81/90/38/1370819038.db2.gz FKPUGROFBAYURS-UHFFFAOYSA-N -1 0 332.510 3.363 20 30 EGEDRM Cn1c(C=NNc2cccc(F)c2)c(Br)cc1C(=O)[O-] ZINC001116082265 1370834768 /nfs/dbraw/zinc/83/47/68/1370834768.db2.gz FVERZUZMXKOGHG-UHFFFAOYSA-N -1 0 340.152 3.071 20 30 EGEDRM COc1cc(/C=C\C(=O)c2ccc(OC)c(CC(=O)[O-])c2)ccc1F ZINC001116377141 1370898612 /nfs/dbraw/zinc/89/86/12/1370898612.db2.gz DIJRLCCFVPGZTN-DAXSKMNVSA-N -1 0 344.338 3.366 20 30 EGEDRM COc1ccc(Nc2c(C#N)cnn2-c2ccccc2)cc1C(=O)[O-] ZINC001209898631 1372226675 /nfs/dbraw/zinc/22/66/75/1372226675.db2.gz DCSWJVYLLOCBEQ-UHFFFAOYSA-N -1 0 334.335 3.194 20 30 EGEDRM N#Cc1cnn(-c2ccc(F)cc2)c1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210394174 1372341165 /nfs/dbraw/zinc/34/11/65/1372341165.db2.gz QLSUZJJBFPMBIO-UHFFFAOYSA-N -1 0 339.286 3.240 20 30 EGEDRM C[C@H]1CC(=O)C=C(Nc2c(O)cc(S(=O)(=O)[O-])c3ccccc32)C1 ZINC001210775790 1372424911 /nfs/dbraw/zinc/42/49/11/1372424911.db2.gz LPHYEXDSDDEALX-SNVBAGLBSA-N -1 0 347.392 3.087 20 30 EGEDRM C#Cc1cc([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)ccc1F ZINC001187967387 1388200313 /nfs/dbraw/zinc/20/03/13/1388200313.db2.gz WXKLBHPSBNHJMJ-UHFFFAOYSA-N -1 0 345.182 3.310 20 30 EGEDRM C#Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)cc1F ZINC001187972950 1388201735 /nfs/dbraw/zinc/20/17/35/1388201735.db2.gz MRHBWIXCNWMJRI-UHFFFAOYSA-N -1 0 345.182 3.310 20 30 EGEDRM COC(=O)c1sc(Nc2ccc(C)c(C(=O)[O-])c2)c(C#N)c1C ZINC001211593977 1372587921 /nfs/dbraw/zinc/58/79/21/1372587921.db2.gz HEBZEDANSXDFKQ-UHFFFAOYSA-N -1 0 330.365 3.465 20 30 EGEDRM CCOC(=O)c1ccc(OC)c(Nc2cc(C#N)c(F)cc2[O-])c1 ZINC001211981255 1372644449 /nfs/dbraw/zinc/64/44/49/1372644449.db2.gz STWOTPZESMGCPK-UHFFFAOYSA-N -1 0 330.315 3.332 20 30 EGEDRM COc1ccc(Nc2ccc(Cl)cc2S(=O)(=O)[O-])c(C#N)c1 ZINC001212783270 1372771660 /nfs/dbraw/zinc/77/16/60/1372771660.db2.gz ADFPSTNUWVJHKS-UHFFFAOYSA-N -1 0 338.772 3.211 20 30 EGEDRM CNC(=O)c1cc(C#N)cc(C)c1Nc1ccc(Cl)c([O-])c1F ZINC001214807153 1373122215 /nfs/dbraw/zinc/12/22/15/1373122215.db2.gz VCVLRQRIFWENIC-UHFFFAOYSA-N -1 0 333.750 3.468 20 30 EGEDRM COC(=O)c1scc(C#N)c1Nc1c(F)cc(C(=O)[O-])cc1F ZINC001215611924 1373217297 /nfs/dbraw/zinc/21/72/97/1373217297.db2.gz FFKGLGXLSCCBHH-UHFFFAOYSA-N -1 0 338.291 3.126 20 30 EGEDRM C=CCn1cnc2c1ncnc2Nc1ccc(C(=O)[O-])c(C)c1Cl ZINC001215692086 1373232497 /nfs/dbraw/zinc/23/24/97/1373232497.db2.gz WJNCZFPSTGYEAF-UHFFFAOYSA-N -1 0 343.774 3.416 20 30 EGEDRM N#Cc1cccc(-c2nc(-c3ccc(-n4ccnc4)cc3)no2)c1[O-] ZINC001216979991 1373374795 /nfs/dbraw/zinc/37/47/95/1373374795.db2.gz NYHFITJQFKCPTF-UHFFFAOYSA-N -1 0 329.319 3.167 20 30 EGEDRM N#Cc1cccc(-c2nc(-c3ccccc3-n3ccnc3)no2)c1[O-] ZINC001216979953 1373374817 /nfs/dbraw/zinc/37/48/17/1373374817.db2.gz NGBBBPYYNGMXQV-UHFFFAOYSA-N -1 0 329.319 3.167 20 30 EGEDRM COc1c(F)c(F)ccc1-c1noc(-c2ccc(C#N)cc2[O-])n1 ZINC001217039058 1373381711 /nfs/dbraw/zinc/38/17/11/1373381711.db2.gz NIXIZCBQVULPIO-UHFFFAOYSA-N -1 0 329.262 3.268 20 30 EGEDRM N#Cc1ccc(-c2nc(-c3ccc(C4OCCO4)cc3)no2)c([O-])c1 ZINC001217039144 1373381961 /nfs/dbraw/zinc/38/19/61/1373381961.db2.gz OAXSBHFMCZWVMF-UHFFFAOYSA-N -1 0 335.319 3.026 20 30 EGEDRM N#Cc1cccc(-c2noc(-c3c[n-]c4c(F)cccc4c3=O)n2)c1 ZINC001217273682 1373415764 /nfs/dbraw/zinc/41/57/64/1373415764.db2.gz KDJBTAIQHXVNTD-UHFFFAOYSA-N -1 0 332.294 3.256 20 30 EGEDRM CC(C)(C)N1CC(O/C(=N\O)c2ccccc2Br)C1 ZINC001223884666 1375046749 /nfs/dbraw/zinc/04/67/49/1375046749.db2.gz OSOUPMQOCXLCGE-SSZFMOIBSA-N -1 0 327.222 3.084 20 30 EGEDRM COC(=O)c1ccc2[nH]c(O[C@H](C#N)c3ccccc3F)nc2c1 ZINC001226260370 1375228853 /nfs/dbraw/zinc/22/88/53/1375228853.db2.gz XZLLHWXOAYHOJR-OAHLLOKOSA-N -1 0 325.299 3.132 20 30 EGEDRM C=C[C@H](CCCC)Oc1c([O-])c(C(=O)OC)sc1C(=O)OC ZINC001227623356 1375455465 /nfs/dbraw/zinc/45/54/65/1375455465.db2.gz RTAHSBBCFOSKTD-SECBINFHSA-N -1 0 328.386 3.151 20 30 EGEDRM CCC[C@@H](C#Cc1ccccc1)Oc1nc(C(=O)OC)ccc1O ZINC001227824638 1375480400 /nfs/dbraw/zinc/48/04/00/1375480400.db2.gz IUCALWJLJHAVMM-HNNXBMFYSA-N -1 0 325.364 3.173 20 30 EGEDRM CC#C[C@H](CC)Oc1ccccc1S(=O)(=O)c1ccc(O)cc1 ZINC001229585274 1375858695 /nfs/dbraw/zinc/85/86/95/1375858695.db2.gz NVPMBGMTQIJGKF-HNNXBMFYSA-N -1 0 330.405 3.406 20 30 EGEDRM N#Cc1ccc([O-])c(CN2CCn3c(-c4ccccc4)cnc3C2)c1 ZINC001232678423 1376500749 /nfs/dbraw/zinc/50/07/49/1376500749.db2.gz YPYVHYIYMVDDGJ-UHFFFAOYSA-N -1 0 330.391 3.143 20 30 EGEDRM C[C@@H](Oc1cc(O)cc([O-])c1C(=O)c1cccc(O)c1)[C@H](C)S ZINC001234159675 1376780337 /nfs/dbraw/zinc/78/03/37/1376780337.db2.gz CLAPQCVARJAAQA-ZJUUUORDSA-N -1 0 334.393 3.120 20 30 EGEDRM C#C[C@H](CC(C)C)Oc1cc(O)cc([O-])c1C(=O)c1cccc(O)c1 ZINC001234162907 1376781246 /nfs/dbraw/zinc/78/12/46/1376781246.db2.gz SIWSYINEICJUGP-MRXNPFEDSA-N -1 0 340.375 3.461 20 30 EGEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2)c2ccsc2n1 ZINC001258053611 1377115732 /nfs/dbraw/zinc/11/57/32/1377115732.db2.gz HGRGTMQIRAIUGD-UHFFFAOYSA-N -1 0 329.406 3.277 20 30 EGEDRM Cc1ccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)c2ncccc12 ZINC001263306508 1377134497 /nfs/dbraw/zinc/13/44/97/1377134497.db2.gz ZTQFPOZIERLBGS-QGZVFWFLSA-N -1 0 335.407 3.315 20 30 EGEDRM Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(O)cn1 ZINC001136191954 1377362689 /nfs/dbraw/zinc/36/26/89/1377362689.db2.gz IFKOWBALIJLMEM-UHFFFAOYSA-N -1 0 346.346 3.407 20 30 EGEDRM N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)c1cc(F)cc(F)c1[O-] ZINC001142422689 1378441452 /nfs/dbraw/zinc/44/14/52/1378441452.db2.gz MTUFVERHZSNALS-INIZCTEOSA-N -1 0 328.318 3.349 20 30 EGEDRM COc1ccc2ncc([O-])c(C(=O)Nc3cccc(OC)c3C#N)c2c1 ZINC001154515972 1380294849 /nfs/dbraw/zinc/29/48/49/1380294849.db2.gz ZFCLRYBREAAYBH-UHFFFAOYSA-N -1 0 349.346 3.082 20 30 EGEDRM N#CCc1ccccc1CC(=O)Nc1c(=O)[nH][n-]c1-c1ccccc1 ZINC001159365643 1381778202 /nfs/dbraw/zinc/77/82/02/1381778202.db2.gz CFZGINSIINKOTQ-UHFFFAOYSA-N -1 0 332.363 3.030 20 30 EGEDRM COc1cc(C#N)c(Nc2ccc(C(=O)[O-])c(OC)c2)cc1OC ZINC001174685368 1385134136 /nfs/dbraw/zinc/13/41/36/1385134136.db2.gz TZMNOMWDXDAIAQ-UHFFFAOYSA-N -1 0 328.324 3.026 20 30 EGEDRM C=CCn1cnc2c1ncnc2Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001175316745 1385249952 /nfs/dbraw/zinc/24/99/52/1385249952.db2.gz ZHTJCKWJILTREA-UHFFFAOYSA-N -1 0 329.747 3.108 20 30 EGEDRM N#CCc1nn(-c2ccccc2)c(Nc2ccc(C(=O)[O-])cc2)c1C#N ZINC001176710790 1385668288 /nfs/dbraw/zinc/66/82/88/1385668288.db2.gz NOWHBANICDDCPW-UHFFFAOYSA-N -1 0 343.346 3.252 20 30 EGEDRM CC(=NNc1nc2cc(F)c(F)cc2[nH]1)c1ccc(CC(=O)[O-])cc1 ZINC001318981299 1385908419 /nfs/dbraw/zinc/90/84/19/1385908419.db2.gz IKCLDJADOYUTFT-UHFFFAOYSA-N -1 0 344.321 3.304 20 30 EGEDRM COc1ccc(CCC(=O)Nc2cc(C#N)c(F)cc2[O-])cc1C ZINC001180485798 1386812192 /nfs/dbraw/zinc/81/21/92/1386812192.db2.gz KNLSNOHWSAZHPR-UHFFFAOYSA-N -1 0 328.343 3.291 20 30 EGEDRM N#Cc1cccc(S(=O)(=O)[N-]c2ccn(C3CCCCC3)n2)c1 ZINC001321168487 1386829193 /nfs/dbraw/zinc/82/91/93/1386829193.db2.gz DJDQNCUMNQYUHJ-UHFFFAOYSA-N -1 0 330.413 3.061 20 30 EGEDRM C=CC[C@@H](NC(=O)N[C@H](C)c1oc2ccc(OC)cc2c1C)C(=O)[O-] ZINC001321278040 1386864416 /nfs/dbraw/zinc/86/44/16/1386864416.db2.gz QZYAPPUPCFAVRF-BXUZGUMPSA-N -1 0 346.383 3.139 20 30 EGEDRM C=CC[C@H](NC(=O)c1ccc(-c2ccc(F)cc2)cc1F)C(=O)[O-] ZINC001321339564 1386880446 /nfs/dbraw/zinc/88/04/46/1386880446.db2.gz PLMIWLDNOAVGNQ-INIZCTEOSA-N -1 0 331.318 3.391 20 30 EGEDRM COc1nc(Cl)c(/C=C\C(=O)c2cc(Cl)ccc2[O-])n1C ZINC001322495285 1387195845 /nfs/dbraw/zinc/19/58/45/1387195845.db2.gz LOIFFPNDPGAYLA-XQRVVYSFSA-N -1 0 327.167 3.337 20 30 EGEDRM C#CC(C)(C)C(=O)Nc1c(CC(=O)[O-])cccc1C(=O)c1ccccc1 ZINC001182636301 1387199608 /nfs/dbraw/zinc/19/96/08/1387199608.db2.gz OAEFCEWAZWFBLU-UHFFFAOYSA-N -1 0 349.386 3.143 20 30 EGEDRM CC(C)(C)OC(=O)N[C@H]1CCC(N=Nc2ccccc2C(=O)[O-])C1 ZINC001329192695 1389015246 /nfs/dbraw/zinc/01/52/46/1389015246.db2.gz WRYTXOPVURRKFK-NSHDSACASA-N -1 0 333.388 3.230 20 30 EGEDRM C=CC[C@@H](NC(=O)[C@@H](CC)c1ccc(Br)cc1)C(=O)[O-] ZINC001329215012 1389023977 /nfs/dbraw/zinc/02/39/77/1389023977.db2.gz MDYULBDAMWEVCP-QWHCGFSZSA-N -1 0 340.217 3.088 20 30 EGEDRM CCCSc1cccc([N-]S(=O)(=O)c2ccc(CC#N)cc2)n1 ZINC001330068259 1389298289 /nfs/dbraw/zinc/29/82/89/1389298289.db2.gz WUNLCOSGKKKSLU-UHFFFAOYSA-N -1 0 347.465 3.451 20 30 EGEDRM CN(C)Cc1cnc(/C=C2/C[C@H](C(=O)[O-])c3ccccc3C2=O)s1 ZINC001332399360 1390106338 /nfs/dbraw/zinc/10/63/38/1390106338.db2.gz FGBGYRYHHZRJHV-QIENPNARSA-N -1 0 342.420 3.043 20 30 EGEDRM Cc1cccnc1Oc1ccc(C([O-])=C(C#N)C(=O)NC(C)C)cc1 ZINC001341955509 1390554093 /nfs/dbraw/zinc/55/40/93/1390554093.db2.gz MUPVMOVEKWEFLN-INIZCTEOSA-N -1 0 337.379 3.029 20 30 EGEDRM N#CC(=C([O-])c1cc2ccccc2o1)c1nc(N)c2ccccc2n1 ZINC001342518670 1390621484 /nfs/dbraw/zinc/62/14/84/1390621484.db2.gz IOXRTQCQQFOGAF-CYBMUJFWSA-N -1 0 328.331 3.448 20 30 EGEDRM C=CC(C)(C)CC(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccc(F)cc2F)C1 ZINC001334998497 1390629711 /nfs/dbraw/zinc/62/97/11/1390629711.db2.gz RJOWXQDYBDCHAL-KGLIPLIRSA-N -1 0 337.366 3.194 20 30 EGEDRM N#CC(=C([O-])c1ccn(CC(F)(F)F)n1)c1nc(C2CC2)cs1 ZINC001343763190 1390735532 /nfs/dbraw/zinc/73/55/32/1390735532.db2.gz SJHIGXMSOHWHCZ-SECBINFHSA-N -1 0 340.330 3.269 20 30 EGEDRM N#CC(=C([O-])c1csc(Nc2ccccn2)n1)c1cccc(F)n1 ZINC001344005167 1390749516 /nfs/dbraw/zinc/74/95/16/1390749516.db2.gz OGAYIVFNTKJXHQ-SNVBAGLBSA-N -1 0 339.355 3.306 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1csc(-c2ccco2)n1 ZINC001344540079 1390798417 /nfs/dbraw/zinc/79/84/17/1390798417.db2.gz IAQFRRRRVIHFMZ-NSHDSACASA-N -1 0 331.397 3.032 20 30 EGEDRM CNc1ccc([N+](=O)[O-])cc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC001346003487 1390900159 /nfs/dbraw/zinc/90/01/59/1390900159.db2.gz RSZVNBMXDQBJKH-CYBMUJFWSA-N -1 0 349.350 3.013 20 30 EGEDRM CC(=O)c1cc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)ccc1C ZINC001346076141 1390905735 /nfs/dbraw/zinc/90/57/35/1390905735.db2.gz ASDVJRVCYROBBI-MRXNPFEDSA-N -1 0 344.374 3.213 20 30 EGEDRM C=CC[C@@H](NC(=O)/C=C\c1cccc(OC2CCCC2)c1)C(=O)[O-] ZINC001350743127 1391521286 /nfs/dbraw/zinc/52/12/86/1391521286.db2.gz GUGBYVGQPWVOLH-WFTPILKQSA-N -1 0 329.396 3.167 20 30 EGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@@H]1CC[C@@H](C)C1 ZINC000819743755 1428780219 /nfs/dbraw/zinc/78/02/19/1428780219.db2.gz PRHMKHFSOYXHTM-HUUCEWRRSA-N -1 0 339.443 3.208 20 30 EGEDRM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1N[C@H](C)C#N ZINC000737281438 1428790034 /nfs/dbraw/zinc/79/00/34/1428790034.db2.gz YTOSVCOJMNDSGL-CYBMUJFWSA-N -1 0 334.383 3.078 20 30 EGEDRM CC(=NNCc1ccccc1Cl)c1ccc(-c2nn[n-]n2)s1 ZINC000823954065 1428967444 /nfs/dbraw/zinc/96/74/44/1428967444.db2.gz XUAPCGPMWWSSCX-UHFFFAOYSA-N -1 0 332.820 3.095 20 30 EGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CC1=CCCCC1 ZINC000735418656 1429014896 /nfs/dbraw/zinc/01/48/96/1429014896.db2.gz HXKAENDCAWNCNB-UHFFFAOYSA-N -1 0 337.427 3.272 20 30 EGEDRM COc1ccc2[nH]cc(C(=O)C=Cc3ccccc3-c3nn[n-]n3)c2c1 ZINC000826212535 1429516485 /nfs/dbraw/zinc/51/64/85/1429516485.db2.gz UEGSHYDJBTULRT-RMKNXTFCSA-N -1 0 345.362 3.253 20 30 EGEDRM Cc1ccc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)c(C)c1 ZINC000737308804 1423664686 /nfs/dbraw/zinc/66/46/86/1423664686.db2.gz PANFKLJXBZIXBY-FNORWQNLSA-N -1 0 344.378 3.027 20 30 EGEDRM N#Cc1ccc(NCc2ccc(-c3nn[n-]n3)cc2)c(C(F)(F)F)c1 ZINC000822832855 1424054842 /nfs/dbraw/zinc/05/48/42/1424054842.db2.gz GOQGQXSDVIHRRH-UHFFFAOYSA-N -1 0 344.300 3.369 20 30 EGEDRM O=C(C=Cc1ccc2ncccc2c1)c1ccc(-c2nn[n-]n2)s1 ZINC000826400997 1424992308 /nfs/dbraw/zinc/99/23/08/1424992308.db2.gz MTKAIFANJYFPAD-XQRVVYSFSA-N -1 0 333.376 3.373 20 30 EGEDRM C=CC1CCN(c2ccc(Br)cc2-c2nn[n-]n2)CC1 ZINC000823888863 1425582564 /nfs/dbraw/zinc/58/25/64/1425582564.db2.gz ZBXVDOIVAUQFJL-UHFFFAOYSA-N -1 0 334.221 3.032 20 30 EGEDRM COc1ccc(CSc2ccc(C#N)cc2F)cc1-c1nn[n-]n1 ZINC000826208177 1425968503 /nfs/dbraw/zinc/96/85/03/1425968503.db2.gz XDRUFLUUDQJGEA-UHFFFAOYSA-N -1 0 341.371 3.178 20 30 EGEDRM CC(C)(C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)C1CCCCC1 ZINC000824064483 1426306157 /nfs/dbraw/zinc/30/61/57/1426306157.db2.gz JBCDUQXFUASHTN-UHFFFAOYSA-N -1 0 338.415 3.283 20 30 EGEDRM O=C(C=Cc1coc(-c2ccccc2)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000737810597 1426721685 /nfs/dbraw/zinc/72/16/85/1426721685.db2.gz ZWXNGIPNLFNEGA-MDZDMXLPSA-N -1 0 343.346 3.418 20 30 EGEDRM CC1=CCC[C@@H](C)[C@H]1CN=Nc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000824852625 1426735405 /nfs/dbraw/zinc/73/54/05/1426735405.db2.gz OSXCPCWUFZQIRA-NEPJUHHUSA-N -1 0 329.408 3.368 20 30 EGEDRM N#CCCCOc1cccc(Nc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000737687287 1426849834 /nfs/dbraw/zinc/84/98/34/1426849834.db2.gz QDFDKSJQOSEBGA-UHFFFAOYSA-N -1 0 338.346 3.432 20 30 EGEDRM Cc1c2ccccc2oc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000737215067 1427536991 /nfs/dbraw/zinc/53/69/91/1427536991.db2.gz WAKGWGSMCMYEFN-UHFFFAOYSA-N -1 0 344.334 3.045 20 30 EGEDRM O=C(C=Cc1cc(F)ccc1F)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826399795 1427773811 /nfs/dbraw/zinc/77/38/11/1427773811.db2.gz GDUZWWJEBZTALF-KXFIGUGUSA-N -1 0 330.269 3.180 20 30 EGEDRM CC1(C#N)CCN(c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CC1 ZINC000824778825 1441663493 /nfs/dbraw/zinc/66/34/93/1441663493.db2.gz QUXSBYMNZKTYBC-UHFFFAOYSA-N -1 0 336.321 3.016 20 30 EGEDRM CCCCCCCCOCC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000821056135 1441779474 /nfs/dbraw/zinc/77/94/74/1441779474.db2.gz LRXGCYVEQDBETE-UHFFFAOYSA-N -1 0 349.410 3.321 20 30 EGEDRM CC(C)c1nc(-c2nn[n-]n2)c(N=NC[C@H](C)Cc2ccccc2)o1 ZINC000824384452 1441800755 /nfs/dbraw/zinc/80/07/55/1441800755.db2.gz BTIFPRXZNBAUQY-GFCCVEGCSA-N -1 0 339.403 3.255 20 30 EGEDRM CC[C@@H](C#N)Oc1cccc(CNc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736309461 1443578381 /nfs/dbraw/zinc/57/83/81/1443578381.db2.gz OSVKGJGCZHIPSI-INIZCTEOSA-N -1 0 334.383 3.160 20 30 EGEDRM COc1cc(C)ccc1C(=O)C=Cc1cc(-c2nn[n-]n2)cs1 ZINC000821708305 1443647345 /nfs/dbraw/zinc/64/73/45/1443647345.db2.gz MIWBPKHCJCOBFV-GQCTYLIASA-N -1 0 326.381 3.141 20 30 EGEDRM N#CCC[C@@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)c1ccccc1 ZINC000826381294 1443758952 /nfs/dbraw/zinc/75/89/52/1443758952.db2.gz GBFJBJSPUJDYJR-CYBMUJFWSA-N -1 0 339.790 3.372 20 30 EGEDRM O=C1C(=Cc2cc(-c3nnn[n-]3)cs2)CCc2ccc(F)cc21 ZINC000826475822 1443806575 /nfs/dbraw/zinc/80/65/75/1443806575.db2.gz SBSWQWULQZBZPA-BJMVGYQFSA-N -1 0 326.356 3.280 20 30 EGEDRM C[C@@H](C#N)Oc1ccc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735502306 1446152984 /nfs/dbraw/zinc/15/29/84/1446152984.db2.gz DPLLVQFXDGWNRI-SZNGSJQDSA-N -1 0 345.362 3.054 20 30 EGEDRM CC(Cc1cccs1)N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000824458218 1446479290 /nfs/dbraw/zinc/47/92/90/1446479290.db2.gz UGWFILAUESMOFV-UHFFFAOYSA-N -1 0 333.808 3.007 20 30 EGEDRM C#CCCCCNC(=O)N[C@@](CC)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000837299571 939227587 /nfs/dbraw/zinc/22/75/87/939227587.db2.gz VUTLEWNDLCEXSD-QGZVFWFLSA-N -1 0 336.819 3.133 20 30 EGEDRM N#CCCCn1cc(C(=O)NCCCCCC(=O)[O-])c2ccccc21 ZINC001601066431 970927188 /nfs/dbraw/zinc/92/71/88/970927188.db2.gz BUFFNCWLEMBROW-UHFFFAOYSA-N -1 0 341.411 3.320 20 30 EGEDRM C#CCN(C(=O)Nc1ccnc(C(=O)[O-])c1)[C@@H]1CCCc2ccccc21 ZINC001602675699 971253379 /nfs/dbraw/zinc/25/33/79/971253379.db2.gz JTRODRURPZBVHZ-GOSISDBHSA-N -1 0 349.390 3.325 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N(Cc1ccccc1Cl)CC1CC1 ZINC001602779049 971514538 /nfs/dbraw/zinc/51/45/38/971514538.db2.gz QQNVBRYYROTOKW-QGZVFWFLSA-N -1 0 334.803 3.083 20 30 EGEDRM CCc1ccc(C#CC(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC001593633821 953597212 /nfs/dbraw/zinc/59/72/12/953597212.db2.gz QRONWEHHTHDUJI-RBUKOAKNSA-N -1 0 333.387 3.030 20 30 EGEDRM CCc1ccc([C@H](C#N)N(C)C(=O)/C=C\c2ccc(C(=O)[O-])o2)cc1 ZINC001593635519 953608549 /nfs/dbraw/zinc/60/85/49/953608549.db2.gz UZJDUEPMVCXHLM-SLWQEBJJSA-N -1 0 338.363 3.277 20 30 EGEDRM O=C([O-])[C@H](C(=O)N(O)Cc1cccc2ccccc21)C1CCCC1 ZINC001594831800 953973867 /nfs/dbraw/zinc/97/38/67/953973867.db2.gz WOIUNONAHOIYEG-KRWDZBQOSA-N -1 0 327.380 3.449 20 30 EGEDRM CCC(CC)(CNC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)C(=O)[O-] ZINC001589489493 955011619 /nfs/dbraw/zinc/01/16/19/955011619.db2.gz OYVCBMNLWBVFBV-MRXNPFEDSA-N -1 0 343.427 3.126 20 30 EGEDRM C=CC[C@H](NC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1ccncc1 ZINC000848579585 955751541 /nfs/dbraw/zinc/75/15/41/955751541.db2.gz IMWGPFJDNMFGKF-BVUBDWEXSA-N -1 0 345.443 3.133 20 30 EGEDRM C[C@@](CNc1cc(C(F)(F)F)cc(C#N)n1)(C(=O)[O-])c1ccccc1 ZINC001589072156 955783125 /nfs/dbraw/zinc/78/31/25/955783125.db2.gz NVSCSUVEUNHJLX-INIZCTEOSA-N -1 0 349.312 3.426 20 30 EGEDRM N#C[C@@H](CCc1ccccc1)C(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21 ZINC001594602809 956152689 /nfs/dbraw/zinc/15/26/89/956152689.db2.gz ZJQZVOJWLFZAJY-SJLPKXTDSA-N -1 0 348.402 3.364 20 30 EGEDRM N#CC1CCC(CNC(=O)Nc2cccc(CCC(=O)[O-])c2)CC1 ZINC001594605504 956166555 /nfs/dbraw/zinc/16/65/55/956166555.db2.gz FSKZPJRGIBPQTK-UHFFFAOYSA-N -1 0 329.400 3.155 20 30 EGEDRM N#Cc1ccc(NC(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1F ZINC001594623148 956295858 /nfs/dbraw/zinc/29/58/58/956295858.db2.gz WQTJHAKCZLUZBP-GOEBONIOSA-N -1 0 339.326 3.132 20 30 EGEDRM N#Cc1ccc(Oc2ccc(OC(=O)[C@H]3CC[C@H]3C(=O)[O-])cc2)cc1 ZINC001594625755 956313471 /nfs/dbraw/zinc/31/34/71/956313471.db2.gz WEBXCHICXGASFD-SJORKVTESA-N -1 0 337.331 3.367 20 30 EGEDRM C=CCCC1(CNC(=O)C2(C(=O)[O-])CCSCC2)CCCC1 ZINC000902050279 956631448 /nfs/dbraw/zinc/63/14/48/956631448.db2.gz XRSZOZMATXPGPS-UHFFFAOYSA-N -1 0 325.474 3.227 20 30 EGEDRM C=CCCCCCCNS(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000390340272 972276735 /nfs/dbraw/zinc/27/67/35/972276735.db2.gz GCIUKQIMOJRBSM-UHFFFAOYSA-N -1 0 325.430 3.108 20 30 EGEDRM Cc1cc(C#N)cnc1C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001594274381 957707446 /nfs/dbraw/zinc/70/74/46/957707446.db2.gz DXWQAYRHVWRPGN-UHFFFAOYSA-N -1 0 333.706 3.005 20 30 EGEDRM Cc1cc(C(=O)[O-])cc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C)c1 ZINC001594281370 957747822 /nfs/dbraw/zinc/74/78/22/957747822.db2.gz KOLNBBTXRQXHSB-CQSZACIVSA-N -1 0 333.347 3.070 20 30 EGEDRM Cc1cc(C(=O)[O-])cc(C(=O)N(c2cc(C#N)cc(C)n2)C2CC2)c1 ZINC001594282160 957758108 /nfs/dbraw/zinc/75/81/08/957758108.db2.gz OMPNCGCOXGGGNS-UHFFFAOYSA-N -1 0 335.363 3.078 20 30 EGEDRM COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H](C)C(=O)[O-])cc1 ZINC001594049083 957961703 /nfs/dbraw/zinc/96/17/03/957961703.db2.gz CUUJYOPRDGTLKX-NSHDSACASA-N -1 0 340.335 3.018 20 30 EGEDRM C#C[C@H](NC(=O)Nc1ccccc1CC(=O)[O-])c1ccc(Cl)cc1 ZINC001588385477 957972016 /nfs/dbraw/zinc/97/20/16/957972016.db2.gz GHFMTPQXFWSSQW-HNNXBMFYSA-N -1 0 342.782 3.463 20 30 EGEDRM Cc1cc(F)c(C(F)(F)F)cc1NC(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC001594310476 958007974 /nfs/dbraw/zinc/00/79/74/958007974.db2.gz FDGZHXYMIXPTPQ-CYBMUJFWSA-N -1 0 332.253 3.096 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)[C@H](Sc1ccccc1)c1ccccc1 ZINC001588397315 958055110 /nfs/dbraw/zinc/05/51/10/958055110.db2.gz DEMBSWXXHMWUEG-GOSISDBHSA-N -1 0 339.416 3.066 20 30 EGEDRM Cc1ccc(-c2cnc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])s2)c(C)c1 ZINC001594335867 958264992 /nfs/dbraw/zinc/26/49/92/958264992.db2.gz OVKRZBBPLRMTII-QGZVFWFLSA-N -1 0 343.408 3.370 20 30 EGEDRM C#Cc1ccc([C@@H](OC(=O)c2ccc(C(=O)[O-])cn2)C(F)(F)F)cc1 ZINC001573327621 958491831 /nfs/dbraw/zinc/49/18/31/958491831.db2.gz SIBNDHCVESIVMB-CQSZACIVSA-N -1 0 349.264 3.222 20 30 EGEDRM C=CCN(Cc1cccs1)C(=O)NCc1ccccc1C(=O)[O-] ZINC001588464536 958492869 /nfs/dbraw/zinc/49/28/69/958492869.db2.gz YXQZJCDZTWOKNC-UHFFFAOYSA-N -1 0 330.409 3.344 20 30 EGEDRM C[C@H](C(=O)[O-])N(C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1)C1CC1 ZINC001573373048 958642337 /nfs/dbraw/zinc/64/23/37/958642337.db2.gz ASJSQHOLIPWJFU-LLVKDONJSA-N -1 0 345.399 3.205 20 30 EGEDRM CC(C)(C#N)c1ccc(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])cc1 ZINC001588607625 959491591 /nfs/dbraw/zinc/49/15/91/959491591.db2.gz NSGQQCUDBAHJOW-MRXNPFEDSA-N -1 0 328.412 3.347 20 30 EGEDRM Cc1c(CN(C)C(=O)[C@](C)(C#N)CC(=O)[O-])oc2c1cccc2C ZINC001594261584 959697449 /nfs/dbraw/zinc/69/74/49/959697449.db2.gz IJLNNXSZPZDBLI-SFHVURJKSA-N -1 0 328.368 3.013 20 30 EGEDRM C=C(C)CCC(=O)N[C@@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC001263630499 960879272 /nfs/dbraw/zinc/87/92/72/960879272.db2.gz NZIFIOPKZTUJTI-ZDUSSCGKSA-N -1 0 340.217 3.437 20 30 EGEDRM CC(C)C[C@H](CNC(=O)[C@@H](C#N)CCc1ccccc1)CC(=O)[O-] ZINC001588887748 962191002 /nfs/dbraw/zinc/19/10/02/962191002.db2.gz YLDDLYMHEOFCPO-DLBZAZTESA-N -1 0 330.428 3.012 20 30 EGEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C ZINC001588936190 962504121 /nfs/dbraw/zinc/50/41/21/962504121.db2.gz MOOLDNOOFBDXIG-JSGCOSHPSA-N -1 0 345.399 3.062 20 30 EGEDRM C#C[C@@H](NC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F)C(C)(C)C ZINC001573303185 962671551 /nfs/dbraw/zinc/67/15/51/962671551.db2.gz WCEBFNVENXLQDZ-GFCCVEGCSA-N -1 0 340.326 3.156 20 30 EGEDRM C=C(C)C[C@H](NC(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3)C(=O)[O-] ZINC001573324810 962790172 /nfs/dbraw/zinc/79/01/72/962790172.db2.gz YXNUMOVASUHJKZ-XIKOKIGWSA-N -1 0 340.423 3.442 20 30 EGEDRM C#CCOc1cccc(Cl)c1CNCc1ccc(C(=O)[O-])cc1 ZINC001573327485 962809572 /nfs/dbraw/zinc/80/95/72/962809572.db2.gz OJVKLVQFDYDUEQ-UHFFFAOYSA-N -1 0 329.783 3.340 20 30 EGEDRM C=C1CCC(CNC(=O)N2CCc3c(F)ccc(C(=O)[O-])c3C2)CC1 ZINC001573343712 962908437 /nfs/dbraw/zinc/90/84/37/962908437.db2.gz IYHSCOSLNBLEKA-UHFFFAOYSA-N -1 0 346.402 3.338 20 30 EGEDRM C=CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001573350079 962964365 /nfs/dbraw/zinc/96/43/65/962964365.db2.gz AVMCJYPNONNCPA-HNNXBMFYSA-N -1 0 327.355 3.441 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1ccc(Cl)c2ncccc12)C(=O)[O-] ZINC001573366279 963059114 /nfs/dbraw/zinc/05/91/14/963059114.db2.gz KXYPKYMQURMCMC-CQSZACIVSA-N -1 0 332.787 3.428 20 30 EGEDRM CSc1ccc(CNC(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)cc1C#N ZINC001604964761 972552257 /nfs/dbraw/zinc/55/22/57/972552257.db2.gz FLJNZBMINDGXCG-UHFFFAOYSA-N -1 0 346.452 3.033 20 30 EGEDRM Cc1ccc(C(=O)/C=C/C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])cc1 ZINC001605244981 973008625 /nfs/dbraw/zinc/00/86/25/973008625.db2.gz SCGLCRPBMYNQCS-FEAKQIBJSA-N -1 0 331.412 3.130 20 30 EGEDRM N#CCCc1ccc(NC(=O)N[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC001605585448 973875808 /nfs/dbraw/zinc/87/58/08/973875808.db2.gz BOFDCZPELLUCOI-MRXNPFEDSA-N -1 0 341.342 3.229 20 30 EGEDRM N#CCCc1ccc(NC(=O)N[C@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC001605585444 973876110 /nfs/dbraw/zinc/87/61/10/973876110.db2.gz BOFDCZPELLUCOI-INIZCTEOSA-N -1 0 341.342 3.229 20 30 EGEDRM N#Cc1cc(NC(=O)NCc2cccc(C(=O)[O-])c2)ccc1C1CC1 ZINC001605597398 973899308 /nfs/dbraw/zinc/89/93/08/973899308.db2.gz PFBPAKLRJIMFET-UHFFFAOYSA-N -1 0 335.363 3.456 20 30 EGEDRM N#Cc1ccc(F)c(NC(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)c1 ZINC001605611229 973916120 /nfs/dbraw/zinc/91/61/20/973916120.db2.gz LYFRNLJTMYZYSF-ZFWWWQNUSA-N -1 0 339.326 3.132 20 30 EGEDRM COc1cccc2c1CC/C(=C/c1ccc(OCC(=O)[O-])cc1)C2=O ZINC000588618321 974966817 /nfs/dbraw/zinc/96/68/17/974966817.db2.gz MXYMUMNEOBDPLE-KAMYIIQDSA-N -1 0 338.359 3.371 20 30 EGEDRM CC(C)Oc1c(NC(=O)N2CCC[C@](C)(C#N)C2)cccc1C(=O)[O-] ZINC001591744847 975774300 /nfs/dbraw/zinc/77/43/00/975774300.db2.gz VMGLFGYOTAQKRF-GOSISDBHSA-N -1 0 345.399 3.330 20 30 EGEDRM CC(C)c1nc(NC(=O)Cc2ccc(C#N)cc2)sc1C(=O)[O-] ZINC001592028452 976727073 /nfs/dbraw/zinc/72/70/73/976727073.db2.gz JAGZIPDSOAYIID-UHFFFAOYSA-N -1 0 329.381 3.018 20 30 EGEDRM C=C(Br)COc1cc(Br)cc(C(=O)[O-])c1 ZINC000700766838 976969654 /nfs/dbraw/zinc/96/96/54/976969654.db2.gz CLYBMLOIEUZOTR-UHFFFAOYSA-N -1 0 335.979 3.435 20 30 EGEDRM CC(C)n1cnc2ccc(CNc3ccc(C(=O)[O-])nc3C#N)cc21 ZINC001592145527 977003074 /nfs/dbraw/zinc/00/30/74/977003074.db2.gz LMYJOYBMKLUKJZ-UHFFFAOYSA-N -1 0 335.367 3.194 20 30 EGEDRM C[C@H](CC#N)C(=O)N(C)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001592213439 977273607 /nfs/dbraw/zinc/27/36/07/977273607.db2.gz XQRBTZBBXLCAKQ-PELKAZGASA-N -1 0 329.183 3.127 20 30 EGEDRM C[C@@H](CC(=O)[O-])CC(=O)N(Cc1ccco1)c1ccccc1C#N ZINC001592370770 977886707 /nfs/dbraw/zinc/88/67/07/977886707.db2.gz MABKQCCZUZORPL-CYBMUJFWSA-N -1 0 326.352 3.185 20 30 EGEDRM C[C@@H](CC(=O)[O-])CC(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl ZINC001592374785 977903517 /nfs/dbraw/zinc/90/35/17/977903517.db2.gz GODRDPLBVYXSGJ-KCJUWKMLSA-N -1 0 329.183 3.175 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1N=NC1CCCOc2ccccc21 ZINC000756905741 978702061 /nfs/dbraw/zinc/70/20/61/978702061.db2.gz HWAZMMSFFNAILF-UHFFFAOYSA-N -1 0 326.352 3.382 20 30 EGEDRM COc1cc(C(C)N=Nc2ccc(C(=O)[O-])cn2)ccc1SC ZINC000763372536 978722772 /nfs/dbraw/zinc/72/27/72/978722772.db2.gz ZVLPUACPDDPHOD-UHFFFAOYSA-N -1 0 331.397 3.346 20 30 EGEDRM C[C@@H](Oc1ccc(CN=Nc2cccc(F)c2[N+](=O)[O-])cc1)C(=O)[O-] ZINC000794935255 978830743 /nfs/dbraw/zinc/83/07/43/978830743.db2.gz HHLSKSZZEMINBT-SNVBAGLBSA-N -1 0 347.302 3.032 20 30 EGEDRM O=C([O-])COc1ccc(/C=C\C(=O)c2cnn(C3CCCC3)c2)cc1 ZINC000799897063 978845385 /nfs/dbraw/zinc/84/53/85/978845385.db2.gz KFIODEZALDTMPU-YFHOEESVSA-N -1 0 340.379 3.358 20 30 EGEDRM O=C([O-])COc1ccc(/C=C2/Cc3nc(Cl)ccc3C2=O)cc1 ZINC000806579516 978850873 /nfs/dbraw/zinc/85/08/73/978850873.db2.gz JBZSEEAZRFWAPN-XFFZJAGNSA-N -1 0 329.739 3.021 20 30 EGEDRM COc1cc2c(c(C=NNc3ccc(CC(=O)[O-])cc3)c1)O[C@@H](C)C2 ZINC000848415894 979468193 /nfs/dbraw/zinc/46/81/93/979468193.db2.gz RMHXMYRWQHCUHT-LBPRGKRZSA-N -1 0 340.379 3.092 20 30 EGEDRM CCC(CC)n1ccc(C(=O)OCC#Cc2cccc(C(=O)[O-])c2)n1 ZINC001595122061 979500428 /nfs/dbraw/zinc/50/04/28/979500428.db2.gz MHSCECZZQBFMQQ-UHFFFAOYSA-N -1 0 340.379 3.151 20 30 EGEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001592833349 979570771 /nfs/dbraw/zinc/57/07/71/979570771.db2.gz GGJIWUROZOQZNN-LBPRGKRZSA-N -1 0 340.354 3.142 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)/C=C(/C)c1ccccc1OC(F)F)C(=O)[O-] ZINC000864188899 979838706 /nfs/dbraw/zinc/83/87/06/979838706.db2.gz XIYRRWDNSAJXOW-PRWOLLLXSA-N -1 0 339.338 3.227 20 30 EGEDRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)Cc1ccc(C#N)cc1 ZINC001595362046 980767810 /nfs/dbraw/zinc/76/78/10/980767810.db2.gz VBBFKKMDPBWLJV-GOSISDBHSA-N -1 0 336.391 3.165 20 30 EGEDRM CC[C@@H]1CCCC[C@H]1OCC(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001595448461 981098881 /nfs/dbraw/zinc/09/88/81/981098881.db2.gz QRVUKXYLCTVPAU-QGPMSJSTSA-N -1 0 345.395 3.213 20 30 EGEDRM O=C([O-])[C@H](NCC(F)(F)C(F)F)c1cccc(C(F)(F)F)c1 ZINC000905403096 981118043 /nfs/dbraw/zinc/11/80/43/981118043.db2.gz KECIVQBTOYMFKQ-MRVPVSSYSA-N -1 0 333.203 3.321 20 30 EGEDRM C#CCC1(C(=O)N2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)CCCCC1 ZINC000909836148 981656578 /nfs/dbraw/zinc/65/65/78/981656578.db2.gz LDRSGKQIFZMHQF-QZTJIDSGSA-N -1 0 339.435 3.287 20 30 EGEDRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1cc(C#N)ccc1Cl ZINC001594790190 981841569 /nfs/dbraw/zinc/84/15/69/981841569.db2.gz DIENHQKGRQVNHH-QGZVFWFLSA-N -1 0 334.803 3.317 20 30 EGEDRM CCCC[C@H](NC(=O)c1sc2ccc(C#N)cc2c1C)C(=O)[O-] ZINC001595637550 981933190 /nfs/dbraw/zinc/93/31/90/981933190.db2.gz LFEREJVERIEHRF-ZDUSSCGKSA-N -1 0 330.409 3.455 20 30 EGEDRM CC[C@H](C)C[C@@H](NC(=O)C1(c2ccc(C#N)cc2)CCCC1)C(=O)[O-] ZINC001594936314 982593711 /nfs/dbraw/zinc/59/37/11/982593711.db2.gz JTMMIGXCWZIIDK-WMLDXEAASA-N -1 0 342.439 3.376 20 30 EGEDRM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccc(C(=O)[O-])s1 ZINC000911748814 982630605 /nfs/dbraw/zinc/63/06/05/982630605.db2.gz UALZAYOHLUMPOV-UHFFFAOYSA-N -1 0 347.440 3.442 20 30 EGEDRM C[C@H](Cc1ccc(NC(=O)[C@@]2(C#N)CC23CCCC3)cc1)C(=O)[O-] ZINC000923075910 982708500 /nfs/dbraw/zinc/70/85/00/982708500.db2.gz MDROUOWCYPBLRT-YJYMSZOUSA-N -1 0 326.396 3.362 20 30 EGEDRM C=CCn1cc2ccc(NC(=O)C3(C(=O)[O-])CC4(CCC4)C3)cc2n1 ZINC000923211664 982842851 /nfs/dbraw/zinc/84/28/51/982842851.db2.gz PWVRXBFCQMWESV-UHFFFAOYSA-N -1 0 339.395 3.196 20 30 EGEDRM C#C[C@@](C)(CC)NC(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC001588367505 983299241 /nfs/dbraw/zinc/29/92/41/983299241.db2.gz WMVUFDNPKRNBES-IBGZPJMESA-N -1 0 343.427 3.299 20 30 EGEDRM C#C[C@H]([NH2+][C@@H]1C[C@@H]2C[C@H](C(=O)[O-])C[C@@H]12)c1ccc(Br)cc1 ZINC001588375995 983348904 /nfs/dbraw/zinc/34/89/04/983348904.db2.gz AMTVXYVGGPPHSW-LZNONINNSA-N -1 0 348.240 3.212 20 30 EGEDRM C#CCC1(NC(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)CCCCC1 ZINC001588428074 983459638 /nfs/dbraw/zinc/45/96/38/983459638.db2.gz ZPQGWOVOHRHLSU-UHFFFAOYSA-N -1 0 340.383 3.109 20 30 EGEDRM C#CCC1(NC(=O)Nc2cc(C(=O)[O-])cnc2Cl)CCCCC1 ZINC001588428067 983459675 /nfs/dbraw/zinc/45/96/75/983459675.db2.gz ZJAXHRKLFGNWCF-UHFFFAOYSA-N -1 0 335.791 3.281 20 30 EGEDRM C#CCCOc1ccc(C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])cc1 ZINC001588455149 983478845 /nfs/dbraw/zinc/47/88/45/983478845.db2.gz DXFWHOMJIXTDNY-SFHVURJKSA-N -1 0 343.423 3.242 20 30 EGEDRM C#C[C@H]1CC[C@H](NC(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])CC1 ZINC001588510994 983558488 /nfs/dbraw/zinc/55/84/88/983558488.db2.gz QTZFGWBCHOBSBI-DJIMGWMZSA-N -1 0 342.439 3.330 20 30 EGEDRM C=C(C)C[C@@H](Nc1cc(Br)c(C#N)cc1F)C(=O)[O-] ZINC001588555570 983635735 /nfs/dbraw/zinc/63/57/35/983635735.db2.gz MKGJWCAFAYVFQH-GFCCVEGCSA-N -1 0 327.153 3.291 20 30 EGEDRM C=C(C)CN(C)C(=O)Nc1cc(Br)cc(C(=O)[O-])c1C ZINC001588561705 983643008 /nfs/dbraw/zinc/64/30/08/983643008.db2.gz YRFZCYMJWKGCJN-UHFFFAOYSA-N -1 0 341.205 3.496 20 30 EGEDRM C=C(C)COc1cccc(NC(=O)NCc2ncc(C(=O)[O-])s2)c1 ZINC001588573819 983653941 /nfs/dbraw/zinc/65/39/41/983653941.db2.gz XOUXYVYPYISZJR-UHFFFAOYSA-N -1 0 347.396 3.118 20 30 EGEDRM C=C(C)Cn1c(C(F)F)nnc1N1CCc2cccc(C(=O)[O-])c2C1 ZINC001588589652 983667686 /nfs/dbraw/zinc/66/76/86/983667686.db2.gz RLCULKQNESABDD-UHFFFAOYSA-N -1 0 348.353 3.053 20 30 EGEDRM C=C(CC(C)C)C(=O)N1CCN(c2ccc(C(=O)[O-])cc2)C[C@@H]1C ZINC001588605892 983695355 /nfs/dbraw/zinc/69/53/55/983695355.db2.gz QMDFMOIVRQRALQ-HNNXBMFYSA-N -1 0 330.428 3.024 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1nnc(-c2ccccc2Cl)s1 ZINC001588633047 983747239 /nfs/dbraw/zinc/74/72/39/983747239.db2.gz GUPZFWNVCAZIEY-UHFFFAOYSA-N -1 0 337.788 3.218 20 30 EGEDRM C=C(Cl)CN(C)[C@H](C(=O)[O-])c1cc(OC)ccc1Br ZINC001588642503 983764693 /nfs/dbraw/zinc/76/46/93/983764693.db2.gz VDPVTIUGINKWEK-LBPRGKRZSA-N -1 0 348.624 3.268 20 30 EGEDRM C=C1CCC(CNS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)CC1 ZINC001588649859 983770854 /nfs/dbraw/zinc/77/08/54/983770854.db2.gz INQBOSBCXHMNSS-UHFFFAOYSA-N -1 0 343.832 3.063 20 30 EGEDRM C=C[C@@H](CC)CC(=O)N[C@@H](C(=O)[O-])c1ccc(Br)cc1 ZINC001588691278 983879222 /nfs/dbraw/zinc/87/92/22/983879222.db2.gz WJFSQQLHRNIEFY-IINYFYTJSA-N -1 0 340.217 3.293 20 30 EGEDRM C=C[C@H](Sc1nnc(-c2cccs2)n1Cc1ccco1)C(=O)[O-] ZINC001588714735 983952913 /nfs/dbraw/zinc/95/29/13/983952913.db2.gz MCJHNVKDSNDMAX-NSHDSACASA-N -1 0 347.421 3.379 20 30 EGEDRM C=CC[C@@H]1CCN(C(=O)NC[C@](CC)(C(=O)[O-])c2ccccc2)C1 ZINC001588772201 984141310 /nfs/dbraw/zinc/14/13/10/984141310.db2.gz AFIUDENRQKSSMQ-BEFAXECRSA-N -1 0 330.428 3.027 20 30 EGEDRM C=CCCC[C@H](NC(=O)COc1cc(C)c(Cl)c(C)c1)C(=O)[O-] ZINC001588788733 984192462 /nfs/dbraw/zinc/19/24/62/984192462.db2.gz LMGCRRKDJRKVEJ-AWEZNQCLSA-N -1 0 339.819 3.261 20 30 EGEDRM C=CCCC[C@H](NC(=O)Cc1c[nH]c2c1cccc2CC)C(=O)[O-] ZINC001588788781 984193057 /nfs/dbraw/zinc/19/30/57/984193057.db2.gz NUURDIJSHZENME-INIZCTEOSA-N -1 0 328.412 3.199 20 30 EGEDRM C=CCCC[C@H](NC(=O)/C=C\c1nc2ccccc2s1)C(=O)[O-] ZINC001588789927 984202242 /nfs/dbraw/zinc/20/22/42/984202242.db2.gz NCJKSGSAVGKJIM-OEYXZAGESA-N -1 0 330.409 3.235 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1ccc(Br)c(F)c1)C(=O)[O-] ZINC001588792515 984209971 /nfs/dbraw/zinc/20/99/71/984209971.db2.gz JGACYFKWDVCWSB-GFCCVEGCSA-N -1 0 344.180 3.128 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1csc(-c2ccc(O)cc2)n1)C(=O)[O-] ZINC001588798213 984234438 /nfs/dbraw/zinc/23/44/38/984234438.db2.gz XSQIFRPLOIRENT-ZDUSSCGKSA-N -1 0 346.408 3.055 20 30 EGEDRM C=CCCCCCCNS(=O)(=O)c1ccc(C)cc1C(=O)[O-] ZINC001588800072 984244260 /nfs/dbraw/zinc/24/42/60/984244260.db2.gz ZJHMWKCRCWZNSM-UHFFFAOYSA-N -1 0 325.430 3.108 20 30 EGEDRM C=CCCCCCNC(=O)N[C@H]1CCSC2(CC(C(=O)[O-])C2)C1 ZINC001588800065 984244324 /nfs/dbraw/zinc/24/43/24/984244324.db2.gz YXCBQJBCYWBCNK-UUCFBXCCSA-N -1 0 340.489 3.161 20 30 EGEDRM C=CCCCCNC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC001588802390 984248765 /nfs/dbraw/zinc/24/87/65/984248765.db2.gz JEENVCXRHAOXTP-UHFFFAOYSA-N -1 0 326.780 3.281 20 30 EGEDRM C=CCCCCNC(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC001588802361 984248994 /nfs/dbraw/zinc/24/89/94/984248994.db2.gz IJYMALFSSGCTOV-UHFFFAOYSA-N -1 0 326.190 3.233 20 30 EGEDRM C=CCNc1nnc(SCCOc2cccc(C(=O)[O-])c2)s1 ZINC001588849234 984369613 /nfs/dbraw/zinc/36/96/13/984369613.db2.gz FJEXGKYWRMXSOH-UHFFFAOYSA-N -1 0 337.426 3.005 20 30 EGEDRM C=CCOC[C@@H](NC(=O)C1(c2ccc(C(C)C)cc2)CCC1)C(=O)[O-] ZINC001588856233 984398559 /nfs/dbraw/zinc/39/85/59/984398559.db2.gz WZMAASKGCKFONF-QGZVFWFLSA-N -1 0 345.439 3.004 20 30 EGEDRM C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H](C)/C=C/C(=O)[O-] ZINC001588874771 984448925 /nfs/dbraw/zinc/44/89/25/984448925.db2.gz FWRIJLZVGUVNGK-QBBOHKLWSA-N -1 0 343.301 3.029 20 30 EGEDRM C=CCOc1ccccc1CNC(=O)c1ccccc1CCC(=O)[O-] ZINC001588877378 984452778 /nfs/dbraw/zinc/45/27/78/984452778.db2.gz LQSNFTHCNATUHF-UHFFFAOYSA-N -1 0 339.391 3.199 20 30 EGEDRM C=CCc1cc(CNc2ccc(C(=O)[O-])cn2)cc(OC)c1OC ZINC001588885461 984467557 /nfs/dbraw/zinc/46/75/57/984467557.db2.gz LTSUFYXURXERGD-UHFFFAOYSA-N -1 0 328.368 3.138 20 30 EGEDRM C=CCc1cc(OC)ccc1OC(=O)c1c(C)coc1CC(=O)[O-] ZINC001588885780 984469692 /nfs/dbraw/zinc/46/96/92/984469692.db2.gz WCHYUWQZXZMEBB-UHFFFAOYSA-N -1 0 330.336 3.171 20 30 EGEDRM C=CCn1c(C)cc(C(=O)CSc2nc(C(=O)[O-])cs2)c1C ZINC001588896416 984501169 /nfs/dbraw/zinc/50/11/69/984501169.db2.gz IUCVIWVVPSETJX-UHFFFAOYSA-N -1 0 336.438 3.421 20 30 EGEDRM CC#CCCCC(=O)N[C@H](C[C@@H]1CCCc2ccccc21)C(=O)[O-] ZINC001588925890 984589889 /nfs/dbraw/zinc/58/98/89/984589889.db2.gz ZIRZAVBIBKSOMX-FUHWJXTLSA-N -1 0 327.424 3.260 20 30 EGEDRM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)CC1(C#N)CCCCC1 ZINC001599887104 984649681 /nfs/dbraw/zinc/64/96/81/984649681.db2.gz NOWJDDDDNGARBL-OAHLLOKOSA-N -1 0 328.412 3.352 20 30 EGEDRM CC(N=Nc1cccc(F)c1C(=O)[O-])c1ccc(C(=O)N(C)C)cc1 ZINC001589017338 985002593 /nfs/dbraw/zinc/00/25/93/985002593.db2.gz JHTOPUFHOCJWDL-UHFFFAOYSA-N -1 0 343.358 3.062 20 30 EGEDRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC001599956180 985693416 /nfs/dbraw/zinc/69/34/16/985693416.db2.gz XYPBXKHMUJZNKV-HNNXBMFYSA-N -1 0 337.379 3.009 20 30 EGEDRM Cc1c2cc(C#N)ccc2sc1C(=O)N(C[C@@H](C)C(=O)[O-])C1CC1 ZINC001599974241 986062982 /nfs/dbraw/zinc/06/29/82/986062982.db2.gz IRHHLGNBNXPCCN-SNVBAGLBSA-N -1 0 342.420 3.407 20 30 EGEDRM Cc1c(C#N)cccc1NC(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001599974882 986073195 /nfs/dbraw/zinc/07/31/95/986073195.db2.gz LTEUBONGXJSTEB-LJQANCHMSA-N -1 0 337.379 3.031 20 30 EGEDRM Cc1c2ccc(F)cc2sc1C(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001599976268 986096693 /nfs/dbraw/zinc/09/66/93/986096693.db2.gz WIJYDCYVGZWBEA-UHFFFAOYSA-N -1 0 346.383 3.179 20 30 EGEDRM Cc1c(C(=O)[O-])cc(C=NNc2ccccc2Br)n1C ZINC001599984573 986211109 /nfs/dbraw/zinc/21/11/09/986211109.db2.gz RKSFPQIVLGYHPZ-UHFFFAOYSA-N -1 0 336.189 3.240 20 30 EGEDRM CCOc1ccc(C=NNc2cccc(F)c2C(=O)[O-])cc1OC ZINC001597082376 986635678 /nfs/dbraw/zinc/63/56/78/986635678.db2.gz LFTYQSGCEOXBCB-UHFFFAOYSA-N -1 0 332.331 3.377 20 30 EGEDRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)c1 ZINC001589531214 987200439 /nfs/dbraw/zinc/20/04/39/987200439.db2.gz BOKQETKUHHJNLK-OCBCSQNSSA-N -1 0 334.375 3.489 20 30 EGEDRM CC[C@H](C#N)C(=O)N(C)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001594722081 987208901 /nfs/dbraw/zinc/20/89/01/987208901.db2.gz ICOLDQOJBBDQCU-PRHODGIISA-N -1 0 329.183 3.127 20 30 EGEDRM CCc1cc(C(=O)[O-])ccc1NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC001597446902 987825062 /nfs/dbraw/zinc/82/50/62/987825062.db2.gz NEAYPTNNGOCABF-KRWDZBQOSA-N -1 0 347.374 3.140 20 30 EGEDRM CCc1ccc([C@H](C#N)N(C)C(=O)c2c(C)coc2CC(=O)[O-])cc1 ZINC001597508789 988088491 /nfs/dbraw/zinc/08/84/91/988088491.db2.gz UUFAJAUVLBQZGJ-HNNXBMFYSA-N -1 0 340.379 3.114 20 30 EGEDRM CSc1cc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)ccc1F ZINC001599807932 988285632 /nfs/dbraw/zinc/28/56/32/988285632.db2.gz XVFXNQDORAOTEZ-OAHLLOKOSA-N -1 0 345.351 3.402 20 30 EGEDRM CSc1ccc(C[NH2+]Cc2ccc(OCC(=O)[O-])cc2)cc1C#N ZINC001599814432 988395807 /nfs/dbraw/zinc/39/58/07/988395807.db2.gz KNPMHTBOYGSBGK-UHFFFAOYSA-N -1 0 342.420 3.033 20 30 EGEDRM CC(C)(C)OC(=O)N1CC(S[C@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC001589939002 988699696 /nfs/dbraw/zinc/69/96/96/988699696.db2.gz IOZZEPDVLCYIIF-AWEZNQCLSA-N -1 0 348.424 3.036 20 30 EGEDRM CN(C(=O)C1(c2ccc(C#N)cc2)CCCC1)C(C)(C)CC(=O)[O-] ZINC001597996474 990104050 /nfs/dbraw/zinc/10/40/50/990104050.db2.gz LGWXIAVNWVQAQT-UHFFFAOYSA-N -1 0 328.412 3.082 20 30 EGEDRM CN(C(=O)Nc1cc(C(=O)[O-])cc2cccnc21)[C@@H]1CCC[C@H]1C#N ZINC001598056046 990313045 /nfs/dbraw/zinc/31/30/45/990313045.db2.gz AXBFYRUNURMLKK-SWLSCSKDSA-N -1 0 338.367 3.089 20 30 EGEDRM CN(C(=O)Nc1cc(C(=O)[O-])cc2cccnc21)[C@@H]1CCC[C@@H]1C#N ZINC001598056045 990313277 /nfs/dbraw/zinc/31/32/77/990313277.db2.gz AXBFYRUNURMLKK-IUODEOHRSA-N -1 0 338.367 3.089 20 30 EGEDRM CN(C)c1cc(C#N)cc(C(=O)Oc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC001598287243 991186175 /nfs/dbraw/zinc/18/61/75/991186175.db2.gz DXNDDKZDDBSLCN-UHFFFAOYSA-N -1 0 344.754 3.195 20 30 EGEDRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)c1[nH]c2ccccc2c1C#N ZINC001591309094 992264782 /nfs/dbraw/zinc/26/47/82/992264782.db2.gz LQHIZIIVXCOONH-UHFFFAOYSA-N -1 0 341.411 3.249 20 30 EGEDRM CN(Cc1ccc(C#N)cc1)C(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC001598509127 992546116 /nfs/dbraw/zinc/54/61/16/992546116.db2.gz BQERFOOEMDOUGN-UHFFFAOYSA-N -1 0 343.427 3.125 20 30 EGEDRM COc1ccc2c(c1)C(=NOCc1cc(C(=O)[O-])sc1C)CCO2 ZINC001599626469 994155860 /nfs/dbraw/zinc/15/58/60/994155860.db2.gz UEIKBOYSFZDFBQ-UHFFFAOYSA-N -1 0 347.392 3.467 20 30 EGEDRM COc1ccc2c(c1)C(=NOCc1ccc(C(=O)[O-])cc1)CCO2 ZINC001599626447 994155898 /nfs/dbraw/zinc/15/58/98/994155898.db2.gz TWQZNJYMOGHFJF-UHFFFAOYSA-N -1 0 327.336 3.097 20 30 EGEDRM COc1cccc(C(=O)[O-])c1OC(=O)c1cc(C#N)ccc1Cl ZINC001599644186 994401896 /nfs/dbraw/zinc/40/18/96/994401896.db2.gz XEWSPFVFCVQFKR-UHFFFAOYSA-N -1 0 331.711 3.138 20 30 EGEDRM C[C@@H](Nc1nc2ncccc2cc1C#N)c1ccc(OCC(=O)[O-])cc1 ZINC001593374294 995073184 /nfs/dbraw/zinc/07/31/84/995073184.db2.gz QPSYTYLRJQSWFR-GFCCVEGCSA-N -1 0 348.362 3.138 20 30 EGEDRM C[C@H](OC(=O)[C@]1(C(=O)[O-])C[C@@H]1c1ccccc1)c1cccc(C#N)c1 ZINC001593490484 995455386 /nfs/dbraw/zinc/45/53/86/995455386.db2.gz DBVFHYVYBHVZBF-WSXQUGQNSA-N -1 0 335.359 3.421 20 30 EGEDRM C[C@H](OC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)c1cc(C(=O)[O-])co1 ZINC001593548623 995629013 /nfs/dbraw/zinc/62/90/13/995629013.db2.gz ZLPWFSVKLVUHAX-NZVBXONLSA-N -1 0 325.320 3.257 20 30 EGEDRM CC1(C)CCC[C@](NC(=O)c2ccc(C#N)c(Cl)c2)(C(=O)[O-])C1 ZINC001593892060 996739350 /nfs/dbraw/zinc/73/93/50/996739350.db2.gz JYHFNMHQPHZXJC-QGZVFWFLSA-N -1 0 334.803 3.365 20 30 EGEDRM COc1cc(C=Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)ccc1C#N ZINC001599399916 997195779 /nfs/dbraw/zinc/19/57/79/997195779.db2.gz KFTZIDBXDIEXTK-CLTKARDFSA-N -1 0 347.330 3.084 20 30 EGEDRM COc1ccc([C@H](CC(=O)[O-])/N=C/c2ccccc2O)c(OC)c1 ZINC001599508272 997250548 /nfs/dbraw/zinc/25/05/48/997250548.db2.gz NNNXHTWSOVZTQQ-BKQORJHRSA-N -1 0 329.352 3.044 20 30 EGEDRM COC(=O)c1cc(/C=C/C(=O)c2ccc(Cl)cc2C(=O)[O-])c[nH]1 ZINC001598927727 997681237 /nfs/dbraw/zinc/68/12/37/997681237.db2.gz BQSJGUVLRNUOLM-GORDUTHDSA-N -1 0 333.727 3.049 20 30 EGEDRM COC(=O)c1cc(Cl)ccc1C(=O)/C=C\c1ccc(C(=O)[O-])[nH]1 ZINC001598936297 997872688 /nfs/dbraw/zinc/87/26/88/997872688.db2.gz ZPCGGKXUDNYEHL-DAXSKMNVSA-N -1 0 333.727 3.049 20 30 EGEDRM COc1cc(Oc2cc(C)c([N+](=O)[O-])cc2C#N)ccc1C(=O)[O-] ZINC001599456013 998188847 /nfs/dbraw/zinc/18/88/47/998188847.db2.gz IBSXLUBBRUGAIH-UHFFFAOYSA-N -1 0 328.280 3.274 20 30 EGEDRM COc1cc(C(=O)[O-])cc(NCc2ccc(C)c(C#N)c2)c1OC ZINC001599362640 998284815 /nfs/dbraw/zinc/28/48/15/998284815.db2.gz PCYKKZFYZZIOOR-UHFFFAOYSA-N -1 0 326.352 3.194 20 30 EGEDRM COc1ccc(CNc2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)cc1C#N ZINC001599573969 998411087 /nfs/dbraw/zinc/41/10/87/998411087.db2.gz ULRCGGNSGGUAFM-UHFFFAOYSA-N -1 0 341.323 3.094 20 30 EGEDRM C[C@H]1CC[C@](NC(=O)Cc2cccc(C#N)c2)(C(=O)[O-])c2ccccc21 ZINC001594312689 999200874 /nfs/dbraw/zinc/20/08/74/999200874.db2.gz CRRNTKHUJONNQJ-LHSJRXKWSA-N -1 0 348.402 3.094 20 30 EGEDRM O=C([O-])c1ccc(/C=C\C(=O)c2ccc(N3CCOC3=O)cc2)cc1 ZINC000098052604 219073606 /nfs/dbraw/zinc/07/36/06/219073606.db2.gz OILMTKXZNQSPJB-KMKOMSMNSA-N -1 0 337.331 3.238 20 30 EGEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1cccc(COCC2CC2)c1 ZINC000064938346 214815177 /nfs/dbraw/zinc/81/51/77/214815177.db2.gz RWPHGEFCPQKVGR-UHFFFAOYSA-N -1 0 342.420 3.286 20 30 EGEDRM CCOc1ccc(C#N)cc1NC(=O)CC1(C(=O)[O-])CCCCC1 ZINC000067456716 215147951 /nfs/dbraw/zinc/14/79/51/215147951.db2.gz RGYWKGLXPHEFGZ-UHFFFAOYSA-N -1 0 330.384 3.321 20 30 EGEDRM Cn1c(Cl)nc(Cl)c1/C=C/C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000136513884 223651683 /nfs/dbraw/zinc/65/16/83/223651683.db2.gz JAVUDQHYGSZXIR-HWKANZROSA-N -1 0 342.138 3.237 20 30 EGEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1C#N ZINC000119022212 152166672 /nfs/dbraw/zinc/16/66/72/152166672.db2.gz IPLBJZARLCULCS-UHFFFAOYSA-N -1 0 331.784 3.193 20 30 EGEDRM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(C#N)ccc1C ZINC000114061416 162221417 /nfs/dbraw/zinc/22/14/17/162221417.db2.gz MZBBEDRYWQBUMV-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM Cc1ncccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000337129302 163137235 /nfs/dbraw/zinc/13/72/35/163137235.db2.gz IHVHSZWHJXAPBB-UHFFFAOYSA-N -1 0 341.314 3.081 20 30 EGEDRM CCC1CCC(N(C)C(=O)c2cc(C#N)c(SC)[n-]c2=O)CC1 ZINC000354335114 166004902 /nfs/dbraw/zinc/00/49/02/166004902.db2.gz GKBPRXGSGLLNSF-UHFFFAOYSA-N -1 0 333.457 3.422 20 30 EGEDRM Cc1nc(-c2ccccc2)ccc1C(=O)N=c1[nH][n-]c(C2CC2)c1C#N ZINC000359720611 167214010 /nfs/dbraw/zinc/21/40/10/167214010.db2.gz WCMVFJSDECGTMY-UHFFFAOYSA-N -1 0 343.390 3.203 20 30 EGEDRM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1ccccc1-c1ccno1 ZINC000359828755 167242760 /nfs/dbraw/zinc/24/27/60/167242760.db2.gz GQWXXWAGDQEHIH-UHFFFAOYSA-N -1 0 339.376 3.323 20 30 EGEDRM N#Cc1ccc(C(=O)[O-])nc1/C=C\c1cnn(Cc2ccccc2)c1 ZINC000360219465 167274884 /nfs/dbraw/zinc/27/48/84/167274884.db2.gz CWSOMUYMEUPEPS-VURMDHGXSA-N -1 0 330.347 3.067 20 30 EGEDRM CC(=Cc1nc2ccc(F)cc2s1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000435339575 270051115 /nfs/dbraw/zinc/05/11/15/270051115.db2.gz VPCHWGHVURZQSF-YVMONPNESA-N -1 0 326.356 3.259 20 30 EGEDRM Cc1cccc([N-]S(=O)(=O)c2ccc(Br)o2)c1C#N ZINC000442614960 270052173 /nfs/dbraw/zinc/05/21/73/270052173.db2.gz BHKJURQOUMBLPJ-UHFFFAOYSA-N -1 0 341.186 3.023 20 30 EGEDRM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)n[nH]1 ZINC000291994060 266077509 /nfs/dbraw/zinc/07/75/09/266077509.db2.gz WRPJNKPJULWGHH-JTQLQIEISA-N -1 0 336.392 3.125 20 30 EGEDRM COc1cccc(C)c1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000194215391 266881647 /nfs/dbraw/zinc/88/16/47/266881647.db2.gz IXNOMIKKRDUQGI-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM CCCOc1cc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)ccc1OC ZINC000435336779 267026592 /nfs/dbraw/zinc/02/65/92/267026592.db2.gz QWEMAWQLFPWJBV-XFXZXTDPSA-N -1 0 339.395 3.308 20 30 EGEDRM Cc1nc(C)c(S(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2)s1 ZINC000179629431 267592321 /nfs/dbraw/zinc/59/23/21/267592321.db2.gz ZOIXYEDUFPNZKP-UHFFFAOYSA-N -1 0 327.818 3.086 20 30 EGEDRM Cc1cc([N+](=O)[O-])c(C)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000530387933 268020810 /nfs/dbraw/zinc/02/08/10/268020810.db2.gz ZSWZNHPXVWVDFC-UHFFFAOYSA-N -1 0 349.343 3.023 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)COC3)cc1Cl ZINC000132938377 268208309 /nfs/dbraw/zinc/20/83/09/268208309.db2.gz HOITUYAQAQKMRW-UHFFFAOYSA-N -1 0 334.784 3.043 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2noc3ccc(Cl)cc32)cc1 ZINC000427779552 268260962 /nfs/dbraw/zinc/26/09/62/268260962.db2.gz OQAAJAILNQBTOD-UHFFFAOYSA-N -1 0 333.756 3.154 20 30 EGEDRM CN(C(=O)c1cccc(Br)c1[O-])c1cccc(C#N)c1 ZINC000537641311 314199334 /nfs/dbraw/zinc/19/93/34/314199334.db2.gz QBVGXQRJQCEOJJ-UHFFFAOYSA-N -1 0 331.169 3.303 20 30 EGEDRM N#Cc1ccc(Cl)cc1[N-]S(=O)(=O)Cc1ccc(F)cc1F ZINC000539813739 314340992 /nfs/dbraw/zinc/34/09/92/314340992.db2.gz AITWQOSKLAMMRQ-UHFFFAOYSA-N -1 0 342.754 3.432 20 30 EGEDRM CCc1cc(C#N)c([N-]S(=O)(=O)c2ccc(OC)cc2F)s1 ZINC000564624248 316176337 /nfs/dbraw/zinc/17/63/37/316176337.db2.gz VWYMTPWREMEAKG-UHFFFAOYSA-N -1 0 340.401 3.131 20 30 EGEDRM CCc1cc(C#N)c([N-]S(=O)(=O)c2cncc(Cl)c2)s1 ZINC000569538563 316926874 /nfs/dbraw/zinc/92/68/74/316926874.db2.gz JZJJFTRUSDEAKG-UHFFFAOYSA-N -1 0 327.818 3.031 20 30 EGEDRM C[C@@H]1C[C@@H](C(=O)[O-])CN(c2c(C#N)cnc3c(Cl)cccc32)C1 ZINC000571799475 317249373 /nfs/dbraw/zinc/24/93/73/317249373.db2.gz GUXQGTVCCVWWKV-GHMZBOCLSA-N -1 0 329.787 3.307 20 30 EGEDRM COCC[C@H](Cc1cccc(-c2ccc(O)c(C#N)c2)c1)C(=O)[O-] ZINC000571821188 317252192 /nfs/dbraw/zinc/25/21/92/317252192.db2.gz KOSJHTOYQVATKR-MRXNPFEDSA-N -1 0 325.364 3.211 20 30 EGEDRM Cc1c2cc(C#N)ccc2sc1C(=O)N=c1[n-]nc(C2CC2)s1 ZINC000583477281 325527185 /nfs/dbraw/zinc/52/71/85/325527185.db2.gz IYFWSCJALLFWGA-UHFFFAOYSA-N -1 0 340.433 3.485 20 30 EGEDRM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)o2)cc1C(F)(F)F ZINC000361114498 457588962 /nfs/dbraw/zinc/58/89/62/457588962.db2.gz DGKXQOFDQOQMMT-UHFFFAOYSA-N -1 0 330.287 3.279 20 30 EGEDRM C[C@@H]1CN(c2c(C#N)cnc3c(F)ccc(Cl)c32)CC[C@H]1C(=O)[O-] ZINC000600800926 460609854 /nfs/dbraw/zinc/60/98/54/460609854.db2.gz NUSZUUVKUKVFGL-MWLCHTKSSA-N -1 0 347.777 3.446 20 30 EGEDRM Cc1cc(N2CC[C@@H](C(=O)[O-])[C@H](C)C2)n2c3ccccc3nc2c1C#N ZINC000600803497 460609908 /nfs/dbraw/zinc/60/99/08/460609908.db2.gz WDCFBQFVRLFBQF-ZIAGYGMSSA-N -1 0 348.406 3.215 20 30 EGEDRM N#CC(=C([O-])c1occc1Br)c1nc2ccccc2[nH]1 ZINC000083763272 453959568 /nfs/dbraw/zinc/95/95/68/453959568.db2.gz NFADHKZBCNNDBK-MRVPVSSYSA-N -1 0 330.141 3.408 20 30 EGEDRM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)Cc2ccc(F)c(F)c2)c1 ZINC000084147527 453973870 /nfs/dbraw/zinc/97/38/70/453973870.db2.gz WNGHJLWSZQYKQU-UHFFFAOYSA-N -1 0 339.363 3.470 20 30 EGEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1cccc(-c2cnco2)c1 ZINC000057119329 454103530 /nfs/dbraw/zinc/10/35/30/454103530.db2.gz WNMQFONEZWWVRS-UHFFFAOYSA-N -1 0 325.349 3.014 20 30 EGEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C)ccc1C ZINC000057125747 454104165 /nfs/dbraw/zinc/10/41/65/454104165.db2.gz BBIKOIXRDMPEDB-UHFFFAOYSA-N -1 0 330.409 3.375 20 30 EGEDRM O=C([N-]S(=O)(=O)CC1CCCCC1)[C@H]1CCOc2ccccc21 ZINC000077560028 454123528 /nfs/dbraw/zinc/12/35/28/454123528.db2.gz OHZZOPFIJAYFOY-HNNXBMFYSA-N -1 0 337.441 3.419 20 30 EGEDRM C[C@H]1COCCN1c1ccc(/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000078022806 454176986 /nfs/dbraw/zinc/17/69/86/454176986.db2.gz RBKXVYSZXRNIJX-MDBUFAAASA-N -1 0 341.367 3.276 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)C2CCCCC2)cc1Cl ZINC000071883891 454242068 /nfs/dbraw/zinc/24/20/68/454242068.db2.gz JGMICLMXPAUAQV-UHFFFAOYSA-N -1 0 326.805 3.437 20 30 EGEDRM N#CCc1ccc(C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)cc1 ZINC000095989798 454254358 /nfs/dbraw/zinc/25/43/58/454254358.db2.gz IWFXVSHCTZGXFN-UHFFFAOYSA-N -1 0 344.754 3.122 20 30 EGEDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)C=Cc1ccc([N+](=O)[O-])cc1 ZINC000046927884 454302424 /nfs/dbraw/zinc/30/24/24/454302424.db2.gz QYADCVFGXLLDPJ-FLIBITNWSA-N -1 0 346.364 3.262 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)C=Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000046927436 454302781 /nfs/dbraw/zinc/30/27/81/454302781.db2.gz GHJLZXMWRLSTKM-JXMROGBWSA-N -1 0 346.364 3.262 20 30 EGEDRM CN(C(=O)c1ccc(Br)cc1[O-])c1cccc(C#N)c1 ZINC000061954520 454363769 /nfs/dbraw/zinc/36/37/69/454363769.db2.gz GFWKGLUANSJQOQ-UHFFFAOYSA-N -1 0 331.169 3.303 20 30 EGEDRM O=C(C=Cc1ccncc1)[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000079149711 454375322 /nfs/dbraw/zinc/37/53/22/454375322.db2.gz JTXCPLRZZMJCIO-VMPITWQZSA-N -1 0 340.404 3.368 20 30 EGEDRM C[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCCO3)C1 ZINC000091125627 454387019 /nfs/dbraw/zinc/38/70/19/454387019.db2.gz RTFPNCHCNXDRAS-TZMCWYRMSA-N -1 0 337.441 3.483 20 30 EGEDRM N#CC(=C([O-])c1coc(-c2ccccc2)n1)c1nnc2n1CCCCC2 ZINC000121854807 454486209 /nfs/dbraw/zinc/48/62/09/454486209.db2.gz SFZCZMXSVUCJDD-AWEZNQCLSA-N -1 0 347.378 3.150 20 30 EGEDRM O=C([N-]S(=O)(=O)c1cccnc1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000048532887 454496034 /nfs/dbraw/zinc/49/60/34/454496034.db2.gz LGPUIVSARBLLCQ-WDEREUQCSA-N -1 0 336.335 3.096 20 30 EGEDRM CC(C)Sc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)nc1 ZINC000122416883 454530474 /nfs/dbraw/zinc/53/04/74/454530474.db2.gz SCTWXKVEPCYMPV-UHFFFAOYSA-N -1 0 333.438 3.255 20 30 EGEDRM N#CC(=C([O-])c1nn(-c2ccccc2F)c2c1CCC2)c1ccccn1 ZINC000049457877 454548957 /nfs/dbraw/zinc/54/89/57/454548957.db2.gz MGILHADYZQHKSQ-CQSZACIVSA-N -1 0 346.365 3.385 20 30 EGEDRM C[C@H](C#N)CN(C)C(=O)c1cc(Br)cc(Cl)c1[O-] ZINC000080753178 454627874 /nfs/dbraw/zinc/62/78/74/454627874.db2.gz GAHYKRVHIHIFQT-SSDOTTSWSA-N -1 0 331.597 3.040 20 30 EGEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]Cc2cc3ccccc3o2)c(F)c1 ZINC000124264030 454710385 /nfs/dbraw/zinc/71/03/85/454710385.db2.gz WFYQZWODVZVTCW-UHFFFAOYSA-N -1 0 348.330 3.061 20 30 EGEDRM N#CCC[C@@H](NC(=O)c1nn(-c2ccccc2)cc1[O-])c1ccccc1 ZINC000153298075 454779279 /nfs/dbraw/zinc/77/92/79/454779279.db2.gz SDJGWRHRQWSQQT-QGZVFWFLSA-N -1 0 346.390 3.353 20 30 EGEDRM COC(=O)c1ccc(Cn2[n-]c(C(C)(C)C)c(CCC#N)c2=O)cc1 ZINC000153479641 454797594 /nfs/dbraw/zinc/79/75/94/454797594.db2.gz MDXKVAQUFCVCEN-UHFFFAOYSA-N -1 0 341.411 3.177 20 30 EGEDRM COc1ccc(-c2cc(C([O-])=C(C#N)c3nc(C)cs3)n[nH]2)cc1 ZINC000129979697 455136138 /nfs/dbraw/zinc/13/61/38/455136138.db2.gz BGWOKFBIJSGIHV-CYBMUJFWSA-N -1 0 338.392 3.340 20 30 EGEDRM Cc1nn(C(C)(C)C)cc1C([O-])=C(C#N)c1cnc2ccccc2n1 ZINC000190912623 455403786 /nfs/dbraw/zinc/40/37/86/455403786.db2.gz CQNSANUMXONBHT-ZDUSSCGKSA-N -1 0 333.395 3.380 20 30 EGEDRM CC(C)Cn1cnc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)c1 ZINC000174928880 455418040 /nfs/dbraw/zinc/41/80/40/455418040.db2.gz RAZGBPYOELFPDD-UHFFFAOYSA-N -1 0 346.456 3.141 20 30 EGEDRM C=C[C@@H](CC(=O)NCc1ccc(C(=O)[O-])c(OC)c1)c1ccccc1 ZINC000191053370 455432837 /nfs/dbraw/zinc/43/28/37/455432837.db2.gz YTFVCGBNOOTUEB-HNNXBMFYSA-N -1 0 339.391 3.370 20 30 EGEDRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N(C)[C@H](C)CC#N)n2)c1 ZINC000268149318 455602618 /nfs/dbraw/zinc/60/26/18/455602618.db2.gz FXONLWUCRWYUKA-CYBMUJFWSA-N -1 0 326.400 3.075 20 30 EGEDRM COc1cccc(C([O-])=C(C#N)c2cnc3ccccc3n2)c1[N+](=O)[O-] ZINC000193040288 455738672 /nfs/dbraw/zinc/73/86/72/455738672.db2.gz WBGCARCGJQPYRS-LBPRGKRZSA-N -1 0 348.318 3.037 20 30 EGEDRM C=C(C)[C@H]1OCC[C@H]1C(=O)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000278826520 455849144 /nfs/dbraw/zinc/84/91/44/455849144.db2.gz QDTKHAIXYVUEFM-ZIAGYGMSSA-N -1 0 329.318 3.234 20 30 EGEDRM C=CCC[C@@H](NC(=O)CSCc1ccc(Cl)cc1)C(=O)[O-] ZINC000262778599 456058099 /nfs/dbraw/zinc/05/80/99/456058099.db2.gz AVXBQYKKOFCNTP-CYBMUJFWSA-N -1 0 327.833 3.109 20 30 EGEDRM COC[C@H](C)C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000237235025 456250792 /nfs/dbraw/zinc/25/07/92/456250792.db2.gz DZVHVKHZIIRAJX-AWEZNQCLSA-N -1 0 337.375 3.006 20 30 EGEDRM CC(C)(C)[C@](C)(C#N)NS(=O)(=O)C1=Cc2ccccc2OCC1 ZINC000274720532 456264532 /nfs/dbraw/zinc/26/45/32/456264532.db2.gz FBLBNQAWCXEERW-KRWDZBQOSA-N -1 0 334.441 3.058 20 30 EGEDRM Cc1nnc([S-])n(N=Cc2c(Cl)ccc(Cl)c2Cl)c1=O ZINC000334159322 456308123 /nfs/dbraw/zinc/30/81/23/456308123.db2.gz QSRHXUXRZDXWSI-UHFFFAOYSA-N -1 0 349.630 3.078 20 30 EGEDRM Fc1cc(F)c(CN=c2nc(C(F)(F)F)[n-]s2)c(F)c1F ZINC000343085164 456395654 /nfs/dbraw/zinc/39/56/54/456395654.db2.gz BATQEUQINJVCBA-UHFFFAOYSA-N -1 0 331.216 3.147 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)NC[C@@H](C)c2ccc(F)cc2)cc1C#N ZINC000353029810 456448916 /nfs/dbraw/zinc/44/89/16/456448916.db2.gz RDQIRZAKMMHBFY-SNVBAGLBSA-N -1 0 345.399 3.053 20 30 EGEDRM C=CCC[C@H](NC(=O)Nc1ccc(Br)c(C)c1)C(=O)[O-] ZINC000315707268 456610354 /nfs/dbraw/zinc/61/03/54/456610354.db2.gz FTZDKOBPMGPPRA-LBPRGKRZSA-N -1 0 341.205 3.298 20 30 EGEDRM CC(C)(C)n1cc(C#N)c(=NC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)[n-]1 ZINC000348467158 456700394 /nfs/dbraw/zinc/70/03/94/456700394.db2.gz UVKCKPFGGVUSIP-UONOGXRCSA-N -1 0 342.830 3.327 20 30 EGEDRM CC(C)CCO[C@@H]1CCCC[C@H]1NC(=O)c1cccn2c([O-])nnc12 ZINC000328621600 456722770 /nfs/dbraw/zinc/72/27/70/456722770.db2.gz XQXULVYXEDDVSG-HUUCEWRRSA-N -1 0 346.431 3.113 20 30 EGEDRM C=CCCCS(=O)(=O)[N-]c1nnc(C(C)(C)c2ccccc2)o1 ZINC000291823854 456768168 /nfs/dbraw/zinc/76/81/68/456768168.db2.gz FIIBXMCBWSNBCL-UHFFFAOYSA-N -1 0 335.429 3.103 20 30 EGEDRM O=C(N=c1[n-]nc(CC(F)(F)F)s1)N[C@H]1CC12CCCCC2 ZINC000329131746 456840368 /nfs/dbraw/zinc/84/03/68/456840368.db2.gz XYMFWFZBFXGBLK-QMMMGPOBSA-N -1 0 334.367 3.114 20 30 EGEDRM CCc1ccc(S(=O)(=O)[N-]c2cc(C)n(CCC#N)n2)cc1CC ZINC000348865076 456884668 /nfs/dbraw/zinc/88/46/68/456884668.db2.gz GRTGVOHGAADMOZ-UHFFFAOYSA-N -1 0 346.456 3.031 20 30 EGEDRM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C#N)cc1 ZINC000353819151 456921562 /nfs/dbraw/zinc/92/15/62/456921562.db2.gz XJADOIKBTGJPBX-UHFFFAOYSA-N -1 0 334.372 3.287 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)N[C@H](C)c2c(F)cccc2F)cc1C#N ZINC000353837377 456929949 /nfs/dbraw/zinc/92/99/49/456929949.db2.gz UARDKHUDEXHJMW-MRVPVSSYSA-N -1 0 349.362 3.150 20 30 EGEDRM C=CCOc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)cc2)cc1 ZINC000345881699 457004457 /nfs/dbraw/zinc/00/44/57/457004457.db2.gz ZOMGVSSSGXYCAW-MRXNPFEDSA-N -1 0 345.782 3.461 20 30 EGEDRM Cc1ccc(S[C@@H](C)C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)cc1 ZINC000359713807 457125245 /nfs/dbraw/zinc/12/52/45/457125245.db2.gz FGIVWSWCJOMVFZ-NSHDSACASA-N -1 0 326.425 3.008 20 30 EGEDRM C=CC[C@@H]1N(C(=O)N=c2nc([C@@H](C)OC)[n-]s2)CCCC1(C)C ZINC000350719521 457199378 /nfs/dbraw/zinc/19/93/78/457199378.db2.gz UABCKUAMLDRJDW-NEPJUHHUSA-N -1 0 338.477 3.266 20 30 EGEDRM CC(C)COc1ncc(C([O-])=C(C#N)c2ccncn2)cc1Cl ZINC000354468827 457242746 /nfs/dbraw/zinc/24/27/46/457242746.db2.gz PVTGXPZTRBJVJH-LBPRGKRZSA-N -1 0 330.775 3.050 20 30 EGEDRM Cn1cc(C([O-])=C(C#N)c2ccncn2)c(-c2ccccc2Cl)n1 ZINC000354476317 457247287 /nfs/dbraw/zinc/24/72/87/457247287.db2.gz ZEDNHALHMUBSHQ-LBPRGKRZSA-N -1 0 337.770 3.021 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ncccc2-c2ccccc2)o1 ZINC000342441369 457305991 /nfs/dbraw/zinc/30/59/91/457305991.db2.gz DVZBQYPOBVPEBB-UHFFFAOYSA-N -1 0 325.349 3.014 20 30 EGEDRM C=C[C@](C)(CC)C(=O)N=c1cc(-c2ccn(Cc3ccccc3)n2)[n-][nH]1 ZINC000360440826 457311510 /nfs/dbraw/zinc/31/15/10/457311510.db2.gz IDYZJWRHVFDMME-HXUWFJFHSA-N -1 0 349.438 3.284 20 30 EGEDRM Cc1ccc(F)c(-n2cc([O-])c(C(=O)Nc3cccc(C#N)c3)n2)c1 ZINC000354705021 457313823 /nfs/dbraw/zinc/31/38/23/457313823.db2.gz WZHXOQJMVFLRSL-UHFFFAOYSA-N -1 0 336.326 3.149 20 30 EGEDRM N#CCn1c(/C=C/c2ccc(OCC(=O)[O-])cc2)nc2ccccc21 ZINC000352020303 457334572 /nfs/dbraw/zinc/33/45/72/457334572.db2.gz GUSUDGCXXTTZCQ-JXMROGBWSA-N -1 0 333.347 3.194 20 30 EGEDRM N#Cc1cccc(C2(NC(=O)c3cc(F)c(F)c([O-])c3F)CC2)c1 ZINC000357300612 457431174 /nfs/dbraw/zinc/43/11/74/457431174.db2.gz AQTHMJXBBUGXSU-UHFFFAOYSA-N -1 0 332.281 3.100 20 30 EGEDRM CC[C@@H](C)n1nc([N-]S(=O)(=O)c2ccc(C#N)cc2C)cc1C ZINC000342773775 457515809 /nfs/dbraw/zinc/51/58/09/457515809.db2.gz CBKJWJQHXHQRGE-GFCCVEGCSA-N -1 0 332.429 3.143 20 30 EGEDRM Cc1nc([C@H]2CCCO2)sc1C([O-])=C(C#N)c1cc(C)nc(C)n1 ZINC000347569060 457515780 /nfs/dbraw/zinc/51/57/80/457515780.db2.gz ANYRNUUKNYAVFT-TZMCWYRMSA-N -1 0 342.424 3.200 20 30 EGEDRM Cc1nn(CC(F)(F)F)cc1C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000357809538 457698186 /nfs/dbraw/zinc/69/81/86/457698186.db2.gz PDHCXGNFXLCRSO-JTQLQIEISA-N -1 0 348.284 3.385 20 30 EGEDRM COC(=O)c1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)c(F)c1 ZINC000357986253 457734931 /nfs/dbraw/zinc/73/49/31/457734931.db2.gz HSGSOMUCLCHBOM-GFCCVEGCSA-N -1 0 338.294 3.244 20 30 EGEDRM COc1cc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)nn1C ZINC000358002694 457737268 /nfs/dbraw/zinc/73/72/68/457737268.db2.gz UHPUVLJUYXTDMS-LBPRGKRZSA-N -1 0 338.392 3.042 20 30 EGEDRM Cc1nc2cc(C([O-])=C(C#N)c3nc4[nH]ccc(C)c-4n3)ccc2o1 ZINC000361720642 457829036 /nfs/dbraw/zinc/82/90/36/457829036.db2.gz KYAWZYJJYZCVOS-GFCCVEGCSA-N -1 0 331.335 3.206 20 30 EGEDRM C=CCOCCCC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000375352840 457893803 /nfs/dbraw/zinc/89/38/03/457893803.db2.gz MLBQBOKISUUWRJ-UHFFFAOYSA-N -1 0 331.412 3.074 20 30 EGEDRM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(C#N)s2)c(F)c1 ZINC000435479793 458153322 /nfs/dbraw/zinc/15/33/22/458153322.db2.gz CZNBOQRRQFPHME-UHFFFAOYSA-N -1 0 340.401 3.347 20 30 EGEDRM N#Cc1ccc(C(=O)[O-])nc1/C=C/c1nccn1Cc1ccccc1 ZINC000358826784 458241954 /nfs/dbraw/zinc/24/19/54/458241954.db2.gz MXFWECDDKKZDEL-CMDGGOBGSA-N -1 0 330.347 3.067 20 30 EGEDRM CCOc1nc2cc(C([O-])=C(C#N)c3nc(C)cs3)ccc2[nH]1 ZINC000436697828 458361976 /nfs/dbraw/zinc/36/19/76/458361976.db2.gz OEGNJSHSSMQGMP-NSHDSACASA-N -1 0 326.381 3.217 20 30 EGEDRM C[C@@H]1CCC[C@@](C#N)([N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)C1 ZINC000450993718 458462052 /nfs/dbraw/zinc/46/20/52/458462052.db2.gz WOMWSGLSINAINL-YMTOWFKASA-N -1 0 348.802 3.369 20 30 EGEDRM CN(C)c1cc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)ccn1 ZINC000430605907 458470518 /nfs/dbraw/zinc/47/05/18/458470518.db2.gz UVDWLHBNSGGRDM-LBPRGKRZSA-N -1 0 328.441 3.392 20 30 EGEDRM C=Cc1ccc(CC[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)cc1 ZINC000462116719 458594480 /nfs/dbraw/zinc/59/44/80/458594480.db2.gz PVACLOAHRYVSSI-UHFFFAOYSA-N -1 0 348.374 3.000 20 30 EGEDRM CC(C)(CCNC(=O)N[C@@H](CCCC#N)c1ccccc1)C(=O)[O-] ZINC000424400663 458634496 /nfs/dbraw/zinc/63/44/96/458634496.db2.gz UTEUZLLJARNGLN-HNNXBMFYSA-N -1 0 331.416 3.222 20 30 EGEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc2c1OC(C)(C)C2 ZINC000530434821 458766270 /nfs/dbraw/zinc/76/62/70/458766270.db2.gz OORYAPKCBAZWIK-UHFFFAOYSA-N -1 0 342.420 3.381 20 30 EGEDRM CC1(C)Cc2cccc([N-]S(=O)(=O)c3ccc(C#N)cc3F)c2O1 ZINC000530487184 458776503 /nfs/dbraw/zinc/77/65/03/458776503.db2.gz QQJUINWTRWAREV-UHFFFAOYSA-N -1 0 346.383 3.212 20 30 EGEDRM Cc1cc(C#N)cnc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000551926020 458889445 /nfs/dbraw/zinc/88/94/45/458889445.db2.gz UAWVVTLNRKVCIY-GFCCVEGCSA-N -1 0 330.269 3.166 20 30 EGEDRM N#CCc1ccnc([N-]S(=O)(=O)c2csc3ccccc32)c1 ZINC000552022548 458890269 /nfs/dbraw/zinc/89/02/69/458890269.db2.gz RQXGBLVNFHSEIB-UHFFFAOYSA-N -1 0 329.406 3.163 20 30 EGEDRM Cc1cc(N2CCC[C@@H](CC(=O)[O-])C2)n2c3ccccc3nc2c1C#N ZINC000519528768 458957151 /nfs/dbraw/zinc/95/71/51/458957151.db2.gz WGUDGYXCQXDAFR-AWEZNQCLSA-N -1 0 348.406 3.359 20 30 EGEDRM CCCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccccc1CC#N ZINC000475821169 458966728 /nfs/dbraw/zinc/96/67/28/458966728.db2.gz ZGDQJNDSOQGFNY-UHFFFAOYSA-N -1 0 348.399 3.481 20 30 EGEDRM C=CCOc1ccccc1CN=c1[n-]c(Cc2ccc(F)cc2)no1 ZINC000566645616 458974852 /nfs/dbraw/zinc/97/48/52/458974852.db2.gz RJEWTHSXIJWUBF-UHFFFAOYSA-N -1 0 339.370 3.398 20 30 EGEDRM CC(C)CCOc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000594467730 459055210 /nfs/dbraw/zinc/05/52/10/459055210.db2.gz YQEXRCQHQBIWRA-UHFFFAOYSA-N -1 0 334.397 3.377 20 30 EGEDRM C[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)NCC1(C#N)CCCCC1 ZINC000594691553 459131483 /nfs/dbraw/zinc/13/14/83/459131483.db2.gz VVNMCECAUWDYNC-OAHLLOKOSA-N -1 0 343.427 3.318 20 30 EGEDRM COCCCOc1ccc(-c2cc(OCC(=O)[O-])ccc2C#N)cc1 ZINC000594874434 459163589 /nfs/dbraw/zinc/16/35/89/459163589.db2.gz NLZKWNHCUABAAN-UHFFFAOYSA-N -1 0 341.363 3.104 20 30 EGEDRM C=CCC[C@@H](NC(=O)Nc1ccc(C)c(OCC(F)F)c1)C(=O)[O-] ZINC000578298524 459176295 /nfs/dbraw/zinc/17/62/95/459176295.db2.gz WZZDZHPVIXLKQR-GFCCVEGCSA-N -1 0 342.342 3.180 20 30 EGEDRM C=CC[C@H](C)NC(=O)N=c1[n-]nc(C(C)(C)c2ccccc2)s1 ZINC000522654209 459254777 /nfs/dbraw/zinc/25/47/77/459254777.db2.gz MYJCGCDBXVIFJT-LBPRGKRZSA-N -1 0 330.457 3.372 20 30 EGEDRM CCc1cc(C#N)c([N-]S(=O)(=O)c2ccc(F)cc2F)s1 ZINC000568704314 459329141 /nfs/dbraw/zinc/32/91/41/459329141.db2.gz MEAVISPZGATHCL-UHFFFAOYSA-N -1 0 328.365 3.261 20 30 EGEDRM Cc1cc(C)cc(-c2n[n-]c(=NC(=O)c3ncc(C#N)cc3C)s2)c1 ZINC000582315871 459345408 /nfs/dbraw/zinc/34/54/08/459345408.db2.gz LWLNGCXNZWRBCJ-UHFFFAOYSA-N -1 0 349.419 3.071 20 30 EGEDRM Cc1ccc(Cc2n[n-]c(=NC(=O)c3ccc(CC#N)cc3)s2)cc1 ZINC000534677631 459346026 /nfs/dbraw/zinc/34/60/26/459346026.db2.gz KQLOYAISEGQUEE-UHFFFAOYSA-N -1 0 348.431 3.178 20 30 EGEDRM N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)CC1(CC(=O)[O-])CCC1 ZINC000591531240 459396981 /nfs/dbraw/zinc/39/69/81/459396981.db2.gz INORBPUZXSLSMQ-MRXNPFEDSA-N -1 0 326.396 3.087 20 30 EGEDRM Cn1ncc2cc(C([O-])=C(C#N)c3ncc(C(C)(C)C)s3)cnc21 ZINC000569419090 459446892 /nfs/dbraw/zinc/44/68/92/459446892.db2.gz FSURNTMSCUKHJP-LBPRGKRZSA-N -1 0 339.424 3.212 20 30 EGEDRM N#Cc1cnc(N2CCC(c3ccccc3C(=O)[O-])CC2)c(F)c1 ZINC000595970428 459490178 /nfs/dbraw/zinc/49/01/78/459490178.db2.gz XQVKXMXSBKUSRK-UHFFFAOYSA-N -1 0 325.343 3.175 20 30 EGEDRM C=CCOc1ccccc1C(=O)NC[C@@H](C(=O)[O-])c1ccc(C)cc1 ZINC000486384790 459500430 /nfs/dbraw/zinc/50/04/30/459500430.db2.gz YGYVSSFJWJQERY-QGZVFWFLSA-N -1 0 339.391 3.158 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2ccc(C(=O)OC(C)(C)C)cn2)n1 ZINC000592363164 459581322 /nfs/dbraw/zinc/58/13/22/459581322.db2.gz HXUUMTQCQYPDJZ-LBPRGKRZSA-N -1 0 343.408 3.292 20 30 EGEDRM COc1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cc1[N+](=O)[O-] ZINC000592398022 459592354 /nfs/dbraw/zinc/59/23/54/459592354.db2.gz XXOZGPRDQDCFBR-LLVKDONJSA-N -1 0 343.364 3.427 20 30 EGEDRM C[S@@](=O)c1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cc1 ZINC000592399081 459592671 /nfs/dbraw/zinc/59/26/71/459592671.db2.gz LRSASNOCHNXDAD-MCMMXHMISA-N -1 0 330.434 3.248 20 30 EGEDRM C=CCn1c(-c2cccc3ccccc32)n[n-]c1=Nc1cnn(C)c1 ZINC000573963971 459763071 /nfs/dbraw/zinc/76/30/71/459763071.db2.gz GZOZHHMWLNLGCR-UHFFFAOYSA-N -1 0 330.395 3.183 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C#N)c(F)c1 ZINC000545439902 459833043 /nfs/dbraw/zinc/83/30/43/459833043.db2.gz WXQKCORBISJVPK-UHFFFAOYSA-N -1 0 335.747 3.023 20 30 EGEDRM C=CCOc1ccc(C(=O)N[C@@H](C(=O)[O-])C2CCCCC2)cc1OC ZINC000621584056 459970397 /nfs/dbraw/zinc/97/03/97/459970397.db2.gz ALMSVRBZZFWXHR-QGZVFWFLSA-N -1 0 347.411 3.023 20 30 EGEDRM CC(C)(C)n1cc(C#N)c(=NC(=O)c2ccc(C(F)(F)F)s2)[n-]1 ZINC000588936325 460008226 /nfs/dbraw/zinc/00/82/26/460008226.db2.gz MHXFTSCJTXBEGF-UHFFFAOYSA-N -1 0 342.346 3.264 20 30 EGEDRM CC(C)Cc1nc(=NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)s[n-]1 ZINC000598770765 460028425 /nfs/dbraw/zinc/02/84/25/460028425.db2.gz OPLCIALYYUCVAX-UHFFFAOYSA-N -1 0 346.431 3.086 20 30 EGEDRM N#CCc1cccc(S(=O)(=O)[N-]c2nccc3sccc32)c1 ZINC000589588015 460106379 /nfs/dbraw/zinc/10/63/79/460106379.db2.gz JNMIOYPNBPKVTH-UHFFFAOYSA-N -1 0 329.406 3.163 20 30 EGEDRM C=CCOc1cccc(NC(=O)N[C@H](C(=O)[O-])c2ccsc2)c1 ZINC000576421365 460138567 /nfs/dbraw/zinc/13/85/67/460138567.db2.gz WYFLSMLOALDGFO-AWEZNQCLSA-N -1 0 332.381 3.260 20 30 EGEDRM COc1cc(C)c([N-]S(=O)(=O)c2ccccc2C#N)c(C)c1C ZINC000576544777 460165017 /nfs/dbraw/zinc/16/50/17/460165017.db2.gz UFCHNMYBCSPFHC-UHFFFAOYSA-N -1 0 330.409 3.293 20 30 EGEDRM Cn1cc(C#N)c(=NC(=O)N[C@@H](CC(C)(C)C)c2ccccc2)[n-]1 ZINC000610563942 460183884 /nfs/dbraw/zinc/18/38/84/460183884.db2.gz NDBTYMFHBSMJDM-HNNXBMFYSA-N -1 0 325.416 3.013 20 30 EGEDRM CC(C)c1ccc([C@H]2CCCN2C(=O)N=c2[n-]n(C)cc2C#N)cc1 ZINC000611162084 460298962 /nfs/dbraw/zinc/29/89/62/460298962.db2.gz RQULUTOGORNBFP-QGZVFWFLSA-N -1 0 337.427 3.206 20 30 EGEDRM C[C@](CC(=O)[O-])(C(=O)NCC1CCC(C#N)CC1)c1ccc(F)cc1 ZINC000601985527 460971826 /nfs/dbraw/zinc/97/18/26/460971826.db2.gz ZTNULLYWAKFFSQ-SVGDTCPJSA-N -1 0 346.402 3.004 20 30 EGEDRM C[C@H]1CCc2sc(NC(=O)CSCC(=O)[O-])c(C#N)c2[C@H]1C ZINC000601989205 460973761 /nfs/dbraw/zinc/97/37/61/460973761.db2.gz FPKGUJQKEAISNW-IUCAKERBSA-N -1 0 338.454 3.062 20 30 EGEDRM C=C(C)COc1cc(CN=c2[n-]nc([C@@H]3C[C@@H]3C)o2)ccc1OC ZINC000630962835 461444287 /nfs/dbraw/zinc/44/42/87/461444287.db2.gz SSGPQAZYODJIMR-GXTWGEPZSA-N -1 0 329.400 3.191 20 30 EGEDRM C=CCCn1cc(CNc2ccc(C[C@@H](CC)C(=O)[O-])cc2)nn1 ZINC000656566849 461787700 /nfs/dbraw/zinc/78/77/00/461787700.db2.gz XKQAOXHREYFFKJ-OAHLLOKOSA-N -1 0 328.416 3.120 20 30 EGEDRM COCc1cncc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)c1 ZINC000643779372 461803378 /nfs/dbraw/zinc/80/33/78/461803378.db2.gz DFPCVIZAHHWDJU-ZDUSSCGKSA-N -1 0 335.285 3.132 20 30 EGEDRM CC[C@H](C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1)c1ccccc1 ZINC000048599890 523748390 /nfs/dbraw/zinc/74/83/90/523748390.db2.gz DLTBCECURFPPCB-INIZCTEOSA-N -1 0 328.393 3.397 20 30 EGEDRM C=C(C)COc1cccc([N-]S(=O)(=O)c2cn(CC(C)C)cn2)c1 ZINC000425947230 547886124 /nfs/dbraw/zinc/88/61/24/547886124.db2.gz RSYMDAVFTAGGAO-UHFFFAOYSA-N -1 0 349.456 3.295 20 30 EGEDRM N#CC(=C([O-])c1cnc2nccnc2c1)c1nc2cc(F)ccc2s1 ZINC000680617094 549885739 /nfs/dbraw/zinc/88/57/39/549885739.db2.gz FUJWYCHADQWXAY-LLVKDONJSA-N -1 0 349.350 3.264 20 30 EGEDRM CCOc1nc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)co1 ZINC000681354450 549985368 /nfs/dbraw/zinc/98/53/68/549985368.db2.gz BVAXVPKCAARSTQ-NSHDSACASA-N -1 0 340.364 3.082 20 30 EGEDRM CCOc1nc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)co1 ZINC000681353141 549985583 /nfs/dbraw/zinc/98/55/83/549985583.db2.gz WWHOGBJCOJEOFC-VIFPVBQESA-N -1 0 346.293 3.308 20 30 EGEDRM COc1ccc([C@H](CC(=O)[O-])/N=C/c2cc(OC)ccc2O)cc1 ZINC000737950736 574520071 /nfs/dbraw/zinc/52/00/71/574520071.db2.gz SQMOLILHNVRLGV-ZVCOJXFSSA-N -1 0 329.352 3.044 20 30 EGEDRM O=C([O-])c1ccc(C(=O)/C=C/c2nccn2CC(F)(F)F)s1 ZINC000728699843 574767367 /nfs/dbraw/zinc/76/73/67/574767367.db2.gz YMONWCRVTBSVEX-DAFODLJHSA-N -1 0 330.287 3.101 20 30 EGEDRM O=C([O-])c1ccc(C(=O)/C=C\c2nccn2CC(F)(F)F)s1 ZINC000728699845 574767450 /nfs/dbraw/zinc/76/74/50/574767450.db2.gz YMONWCRVTBSVEX-RJRFIUFISA-N -1 0 330.287 3.101 20 30 EGEDRM COCCOc1ccc(/C=C\C(=O)c2csc(C(=O)[O-])c2)cc1 ZINC000730465030 574990079 /nfs/dbraw/zinc/99/00/79/574990079.db2.gz UHLCPBABBKCCHB-DAXSKMNVSA-N -1 0 332.377 3.368 20 30 EGEDRM O=C([O-])C(F)(F)Oc1ccc(/C=C/C(=O)c2ccc(O)cc2)cc1 ZINC000730732707 575014982 /nfs/dbraw/zinc/01/49/82/575014982.db2.gz NOLCJWVPFQYETQ-XCVCLJGOSA-N -1 0 334.274 3.345 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@@H](C)c2ccccc2F)n1 ZINC000731390133 575071844 /nfs/dbraw/zinc/07/18/44/575071844.db2.gz LDRVQOYHBYVROD-AAEUAGOBSA-N -1 0 346.383 3.114 20 30 EGEDRM COc1cc(Cl)ccc1C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737888282 575310108 /nfs/dbraw/zinc/31/01/08/575310108.db2.gz CQQSPIRFAAAKPZ-HNNXBMFYSA-N -1 0 345.738 3.203 20 30 EGEDRM COc1cc(C)ccc1C(=O)/C=C\c1cccc(OCC(=O)[O-])c1 ZINC000733206296 575319601 /nfs/dbraw/zinc/31/96/01/575319601.db2.gz GFNLEXMPQBPXCJ-CLFYSBASSA-N -1 0 326.348 3.363 20 30 EGEDRM CC[C@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000734078932 575433400 /nfs/dbraw/zinc/43/34/00/575433400.db2.gz GDJZBVVKUVRVPN-MRXNPFEDSA-N -1 0 348.468 3.360 20 30 EGEDRM C=CCN1C(=O)N[C@@H](c2ccc3c(c2)CC(C)(C)O3)C(C(=O)[O-])=C1C ZINC000736106848 575897046 /nfs/dbraw/zinc/89/70/46/575897046.db2.gz MSFVIQLWJUKFPX-INIZCTEOSA-N -1 0 342.395 3.011 20 30 EGEDRM C=CCN(Cc1cccc(C#N)c1)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000736108705 575897606 /nfs/dbraw/zinc/89/76/06/575897606.db2.gz OSNIYOIRGKXSSY-UHFFFAOYSA-N -1 0 348.402 3.404 20 30 EGEDRM C#Cc1cccc(N(C(=O)c2ccc(OCC(=O)[O-])cc2)C(C)C)c1 ZINC000736091063 575898570 /nfs/dbraw/zinc/89/85/70/575898570.db2.gz NRDHGTPCWFGMSC-UHFFFAOYSA-N -1 0 337.375 3.187 20 30 EGEDRM C=C(C)COc1cccc(NS(=O)(=O)c2ccccc2C(=O)[O-])c1 ZINC000736094692 575898713 /nfs/dbraw/zinc/89/87/13/575898713.db2.gz RDOFXHGDPJBUQB-UHFFFAOYSA-N -1 0 347.392 3.141 20 30 EGEDRM Cc1csc([C@@H]2CCCN2[C@@H](C(=O)[O-])c2ccc(C#N)cc2)n1 ZINC000738817341 575900275 /nfs/dbraw/zinc/90/02/75/575900275.db2.gz YORBJNFSGCBZEM-LSDHHAIUSA-N -1 0 327.409 3.286 20 30 EGEDRM C=CCn1c2ccccc2nc1SCC(=O)c1cc(C(=O)[O-])co1 ZINC000736118621 575901335 /nfs/dbraw/zinc/90/13/35/575901335.db2.gz XIWMUKYQBXAMLJ-UHFFFAOYSA-N -1 0 342.376 3.489 20 30 EGEDRM CC(=O)Nc1cccc2c1CCCN2[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736168370 575906351 /nfs/dbraw/zinc/90/63/51/575906351.db2.gz FTKVTEMGNQWPNN-LJQANCHMSA-N -1 0 349.390 3.095 20 30 EGEDRM CC(=O)Nc1cccc2c1CCCN2[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736168365 575906604 /nfs/dbraw/zinc/90/66/04/575906604.db2.gz FTKVTEMGNQWPNN-IBGZPJMESA-N -1 0 349.390 3.095 20 30 EGEDRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)C=Cc1ccccc1C#N ZINC000736186910 575909244 /nfs/dbraw/zinc/90/92/44/575909244.db2.gz OMTJMGOMIHKULB-CLFYSBASSA-N -1 0 335.315 3.078 20 30 EGEDRM CC(C)(NC(=O)[O-])C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 ZINC000736338029 575937886 /nfs/dbraw/zinc/93/78/86/575937886.db2.gz ZISPCZLPIFMDAM-INIZCTEOSA-N -1 0 337.379 3.327 20 30 EGEDRM CCC(=NNc1[n-]cnc2ncnc1-2)c1cc(Cl)ccc1OC ZINC000736430007 575959804 /nfs/dbraw/zinc/95/98/04/575959804.db2.gz LQEACAOLJDKNSW-UHFFFAOYSA-N -1 0 330.779 3.241 20 30 EGEDRM C[C@@H](NC(=O)N1Cc2ccc(C(=O)[O-])cc2C1)c1ccc(C#N)cc1 ZINC000736644559 575997797 /nfs/dbraw/zinc/99/77/97/575997797.db2.gz BPVZWJPKMBTBGV-GFCCVEGCSA-N -1 0 335.363 3.043 20 30 EGEDRM CN(Cc1ccc(NC(=O)/C=C/c2ccccc2C#N)cc1)C(=O)[O-] ZINC000737479104 576235442 /nfs/dbraw/zinc/23/54/42/576235442.db2.gz UCUVUSUBTMUBAS-DHZHZOJOSA-N -1 0 335.363 3.320 20 30 EGEDRM C=CC[C@@H](C)Nc1nc(CN(C)C)nc2sc(C(=O)[O-])c(C)c21 ZINC000737527871 576241027 /nfs/dbraw/zinc/24/10/27/576241027.db2.gz UXJVBZQTPXTLSE-SECBINFHSA-N -1 0 334.445 3.136 20 30 EGEDRM COc1cc(CSCC(=O)[O-])ccc1OCc1cccc(C#N)c1 ZINC000737887682 576269945 /nfs/dbraw/zinc/26/99/45/576269945.db2.gz YQQZJDPPIHKXSO-UHFFFAOYSA-N -1 0 343.404 3.464 20 30 EGEDRM CSc1ccsc1C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000738212045 576300491 /nfs/dbraw/zinc/30/04/91/576300491.db2.gz ZEAYNGRIFFNHHV-LBPRGKRZSA-N -1 0 333.390 3.324 20 30 EGEDRM Cc1[nH]c2ccccc2c1CC(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000738246247 576305175 /nfs/dbraw/zinc/30/51/75/576305175.db2.gz AJFBJVZCGKNVSG-IBGZPJMESA-N -1 0 348.358 3.260 20 30 EGEDRM N#CCOc1ccc(Cl)cc1COC(=O)c1ccccc1C(=O)[O-] ZINC000739086564 576377217 /nfs/dbraw/zinc/37/72/17/576377217.db2.gz AWPJYSZSDJZYKV-UHFFFAOYSA-N -1 0 345.738 3.298 20 30 EGEDRM N#CCN(CC(=O)[O-])C(=O)c1ccc(CSc2ccccc2)cc1 ZINC000739088687 576377304 /nfs/dbraw/zinc/37/73/04/576377304.db2.gz YPUMMLPAIULELP-UHFFFAOYSA-N -1 0 340.404 3.029 20 30 EGEDRM N#CCn1c(C(=O)Nc2cccc(F)c2C(=O)[O-])cc2ccccc21 ZINC000739094013 576377561 /nfs/dbraw/zinc/37/75/61/576377561.db2.gz YVKSQYPSHBVQDZ-UHFFFAOYSA-N -1 0 337.310 3.254 20 30 EGEDRM N#Cc1ccc([C@H](Nc2cccc(NC(=O)C3CC3)c2)C(=O)[O-])cc1 ZINC000739109905 576378487 /nfs/dbraw/zinc/37/84/87/576378487.db2.gz OEBCDXIXOCSHSG-KRWDZBQOSA-N -1 0 335.363 3.145 20 30 EGEDRM N#Cc1ccc([C@@H](OC(=O)Cc2cccc(Cl)c2)C(=O)[O-])cc1 ZINC000739115969 576378856 /nfs/dbraw/zinc/37/88/56/576378856.db2.gz WMLIPFIQFVATIM-MRXNPFEDSA-N -1 0 329.739 3.123 20 30 EGEDRM N#Cc1ccc([C@@H](OC(=O)c2cc3c(cccc3F)[nH]2)C(=O)[O-])cc1 ZINC000739116012 576378863 /nfs/dbraw/zinc/37/88/63/576378863.db2.gz XHFPWBUJEVMTEM-MRXNPFEDSA-N -1 0 338.294 3.161 20 30 EGEDRM O=C([O-])CSCCC(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000739849022 576510341 /nfs/dbraw/zinc/51/03/41/576510341.db2.gz IQTCJTABPXQCRD-UHFFFAOYSA-N -1 0 339.416 3.233 20 30 EGEDRM O=C([O-])c1ccc(COc2ccc(CN=Nc3cccnn3)cc2)cc1 ZINC000740134237 576553169 /nfs/dbraw/zinc/55/31/69/576553169.db2.gz QNWDFRFBHJPCCO-UHFFFAOYSA-N -1 0 348.362 3.200 20 30 EGEDRM N#Cc1cccc(Oc2ccc(NC(=O)CSCC(=O)[O-])cc2)c1 ZINC000740323165 576577041 /nfs/dbraw/zinc/57/70/41/576577041.db2.gz NDGMWWHHOZCCGA-UHFFFAOYSA-N -1 0 342.376 3.107 20 30 EGEDRM COc1ccc(C=Nn2c(=O)c3ccccc3[n-]c2=S)cc1Cl ZINC000741461785 576688105 /nfs/dbraw/zinc/68/81/05/576688105.db2.gz CCQKTIXPMUHCDF-UHFFFAOYSA-N -1 0 345.811 3.229 20 30 EGEDRM C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000741661418 576709441 /nfs/dbraw/zinc/70/94/41/576709441.db2.gz XYANMQPLIQYECE-UHFFFAOYSA-N -1 0 339.775 3.292 20 30 EGEDRM N#Cc1ccc2c(c1)CC/C(=C/c1cccc(OCC(=O)[O-])c1)C2=O ZINC000742437043 576784370 /nfs/dbraw/zinc/78/43/70/576784370.db2.gz IKJXXPIZWNHTRE-PXNMLYILSA-N -1 0 333.343 3.234 20 30 EGEDRM C[C@H](Oc1cccc(C(=O)/C=C\c2csc([N+](=O)[O-])c2)c1)C(=O)[O-] ZINC000745020056 576838610 /nfs/dbraw/zinc/83/86/10/576838610.db2.gz AWHDSDFODLQMSA-OMMCCPJFSA-N -1 0 347.348 3.404 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)OCc1cc(-c2ccc(Cl)cc2)no1 ZINC000819874611 597614236 /nfs/dbraw/zinc/61/42/36/597614236.db2.gz NEWRKSLWMSXIBZ-MRXNPFEDSA-N -1 0 348.742 3.043 20 30 EGEDRM CCOc1ccc(NC(=S)NN=C2CCC(C(=O)[O-])CC2)cc1 ZINC000814717478 598095773 /nfs/dbraw/zinc/09/57/73/598095773.db2.gz JPEMZMHPDHTLPN-UHFFFAOYSA-N -1 0 335.429 3.003 20 30 EGEDRM C[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000820113617 598222418 /nfs/dbraw/zinc/22/24/18/598222418.db2.gz DLYPXTKLJIVZJV-RMLUDKJBSA-N -1 0 329.183 3.175 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(-c2ccccc2)cc1F ZINC000819846387 598223766 /nfs/dbraw/zinc/22/37/66/598223766.db2.gz CDMHVWQYMQFUGP-GOSISDBHSA-N -1 0 326.327 3.436 20 30 EGEDRM Cc1ccc(-c2nc(NC(=O)[C@](C)(C#N)CC(=O)[O-])sc2C)s1 ZINC000821052221 598226884 /nfs/dbraw/zinc/22/68/84/598226884.db2.gz KRXGUNSZTYMWRG-HNNXBMFYSA-N -1 0 349.437 3.432 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NCC1(Sc2ccccc2)CCCC1 ZINC000819833429 598227171 /nfs/dbraw/zinc/22/71/71/598227171.db2.gz GZCXAROIZOZPQL-QGZVFWFLSA-N -1 0 346.452 3.212 20 30 EGEDRM C=CCCCCCN(C)S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000825671258 600756381 /nfs/dbraw/zinc/75/63/81/600756381.db2.gz JDMRVVYCKISGHC-UHFFFAOYSA-N -1 0 345.848 3.405 20 30 EGEDRM Cc1cc(C)c2ncc(C#N)c(N3CCC4(C[C@@H]4C(=O)[O-])CC3)c2c1 ZINC000832874580 600813911 /nfs/dbraw/zinc/81/39/11/600813911.db2.gz JVFMNXUQEUQXDW-MRXNPFEDSA-N -1 0 335.407 3.414 20 30 EGEDRM C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000180118776 600913778 /nfs/dbraw/zinc/91/37/78/600913778.db2.gz JDCIISJSRLSMAC-HUUCEWRRSA-N -1 0 346.383 3.000 20 30 EGEDRM Cc1ccc(NC(=O)[C@@H](C)ON=Cc2ccc(C(=O)[O-])cc2)c(C)c1 ZINC000832942420 601220765 /nfs/dbraw/zinc/22/07/65/601220765.db2.gz GHLBUVZDKDUPBO-CQSZACIVSA-N -1 0 340.379 3.379 20 30 EGEDRM O=C([O-])c1ccc([N+](=O)[O-])c(OCC#Cc2ccc(Cl)cc2)c1 ZINC000833324198 601224216 /nfs/dbraw/zinc/22/42/16/601224216.db2.gz NFTFVAYTUOKDHV-UHFFFAOYSA-N -1 0 331.711 3.377 20 30 EGEDRM Cc1ccc(NCC(=O)Nc2ccc(C#N)c(Cl)c2)cc1C(=O)[O-] ZINC000832951534 601302579 /nfs/dbraw/zinc/30/25/79/601302579.db2.gz GVYDRNHHFKPFSK-UHFFFAOYSA-N -1 0 343.770 3.269 20 30 EGEDRM CC(C)Oc1ccc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000827048484 601343183 /nfs/dbraw/zinc/34/31/83/601343183.db2.gz PJNUIZKTLBRIHL-KRWDZBQOSA-N -1 0 339.347 3.328 20 30 EGEDRM N#Cc1cccc([C@H](OC(=O)C(F)(F)c2ccc(F)cc2)C(=O)[O-])c1 ZINC000833076548 601351382 /nfs/dbraw/zinc/35/13/82/601351382.db2.gz WUDNQQQTDRVFEH-AWEZNQCLSA-N -1 0 349.264 3.158 20 30 EGEDRM Cc1cc(Cl)c(N)c(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000832885704 601353674 /nfs/dbraw/zinc/35/36/74/601353674.db2.gz LVAYCPKSTUMQGN-HNNXBMFYSA-N -1 0 344.754 3.085 20 30 EGEDRM CS[C@H](C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1)c1ccccc1 ZINC000832735925 601353717 /nfs/dbraw/zinc/35/37/17/601353717.db2.gz MUJBRXVZXWTEBR-HOTGVXAUSA-N -1 0 341.388 3.331 20 30 EGEDRM N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cccc(C(=O)[O-])c1 ZINC000821320126 601426385 /nfs/dbraw/zinc/42/63/85/601426385.db2.gz JQOJTUXASQUNJU-QZTJIDSGSA-N -1 0 334.375 3.297 20 30 EGEDRM Cc1csc([C@@H](C#N)C(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)n1 ZINC000832988917 601499541 /nfs/dbraw/zinc/49/95/41/601499541.db2.gz OGKVBEZWZXJRPM-ZDUSSCGKSA-N -1 0 344.392 3.022 20 30 EGEDRM CC(=NNCc1cccc(Cl)c1)c1ccc(OCC(=O)[O-])cc1 ZINC000825804687 601626549 /nfs/dbraw/zinc/62/65/49/601626549.db2.gz UOBQFGWPMAVHDJ-UHFFFAOYSA-N -1 0 332.787 3.317 20 30 EGEDRM Cc1sc(C(=O)[O-])cc1COC(=O)/C=C\c1ccccc1C#N ZINC000833030824 601721011 /nfs/dbraw/zinc/72/10/11/601721011.db2.gz FDFAVYMADZLIAK-SREVYHEPSA-N -1 0 327.361 3.383 20 30 EGEDRM C=CCN(CC=C)C(=O)[C@@H](C)SCc1ccc(C(=O)[O-])c(F)c1 ZINC000825681605 601813595 /nfs/dbraw/zinc/81/35/95/601813595.db2.gz DCNVJEDUWZGCLQ-GFCCVEGCSA-N -1 0 337.416 3.346 20 30 EGEDRM CCN(C[C@@H](C)C#N)C(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000829641803 601981626 /nfs/dbraw/zinc/98/16/26/601981626.db2.gz ASGJZXQBORZRDA-VIFPVBQESA-N -1 0 343.305 3.417 20 30 EGEDRM C[C@]1(C(=O)[O-])CCN(C(=O)Nc2ccccc2C#Cc2ccccc2)C1 ZINC000828007886 602011093 /nfs/dbraw/zinc/01/10/93/602011093.db2.gz NAVFBPRVGGWLCR-NRFANRHFSA-N -1 0 348.402 3.415 20 30 EGEDRM C[C@H](Oc1ccc(/C=C2\COc3ccc(F)cc3C2=O)cc1)C(=O)[O-] ZINC000794706549 602110650 /nfs/dbraw/zinc/11/06/50/602110650.db2.gz GHEOMZNMPHFFNE-ZWSXMNCCSA-N -1 0 342.322 3.336 20 30 EGEDRM Cc1cc(NCc2cc(C#N)ccc2F)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832897571 602320644 /nfs/dbraw/zinc/32/06/44/602320644.db2.gz STSLGKPQTDMUKG-UHFFFAOYSA-N -1 0 329.287 3.224 20 30 EGEDRM C[C@H](NC(=O)Nc1ccc(C(=O)[O-])c(F)c1)c1cccc(C#N)c1 ZINC000827672152 602385586 /nfs/dbraw/zinc/38/55/86/602385586.db2.gz RIXZNLKCGZHTNR-JTQLQIEISA-N -1 0 327.315 3.278 20 30 EGEDRM N#Cc1cccc(-c2nnc(COc3cccc(NC(=O)[O-])c3)o2)c1 ZINC000831146050 603510764 /nfs/dbraw/zinc/51/07/64/603510764.db2.gz HQIFXOSEMRMZAT-UHFFFAOYSA-N -1 0 336.307 3.277 20 30 EGEDRM N#Cc1ccsc1C(=O)N(CCCC(=O)[O-])Cc1ccccc1 ZINC000833076677 604372318 /nfs/dbraw/zinc/37/23/18/604372318.db2.gz LWVSTUIQGAVJAC-UHFFFAOYSA-N -1 0 328.393 3.127 20 30 EGEDRM CCC(CC)n1nccc1C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000828874751 604444685 /nfs/dbraw/zinc/44/46/85/604444685.db2.gz OYBKOZJKDOFWQM-MRXNPFEDSA-N -1 0 341.367 3.099 20 30 EGEDRM Cc1cccc(C2(C(=O)OCc3cccc(C(=O)[O-])c3C#N)CC2)c1 ZINC000833752149 604583734 /nfs/dbraw/zinc/58/37/34/604583734.db2.gz BDMMKZCCBHAMSZ-UHFFFAOYSA-N -1 0 335.359 3.340 20 30 EGEDRM C[C@H]1CN(Cc2cccc(C(=O)[O-])c2C#N)c2ccc(F)cc2O1 ZINC000833630439 604610691 /nfs/dbraw/zinc/61/06/91/604610691.db2.gz SVJKTCFKPVQIOM-NSHDSACASA-N -1 0 326.327 3.183 20 30 EGEDRM COc1cccc(NC(=S)NN=C(C)c2ccc(C(=O)[O-])cc2)c1 ZINC000832561595 604637087 /nfs/dbraw/zinc/63/70/87/604637087.db2.gz AINZRZZIYBWNSD-UHFFFAOYSA-N -1 0 343.408 3.104 20 30 EGEDRM CC(C)(C#N)c1ccccc1COC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000826080816 604691125 /nfs/dbraw/zinc/69/11/25/604691125.db2.gz GGYZGNUUEIEIEO-KGLIPLIRSA-N -1 0 329.396 3.422 20 30 EGEDRM C=CCn1c(SCCCC(=O)[O-])nnc1-c1cccc(OC)c1 ZINC000825711236 604752697 /nfs/dbraw/zinc/75/26/97/604752697.db2.gz VCYXLBDATNHMIX-UHFFFAOYSA-N -1 0 333.413 3.097 20 30 EGEDRM CC(C)(C)n1cc(C#N)cc1NC(=O)CCc1ccccc1C(=O)[O-] ZINC000833453043 604822520 /nfs/dbraw/zinc/82/25/20/604822520.db2.gz PVNLTUBVEHHHRN-UHFFFAOYSA-N -1 0 339.395 3.384 20 30 EGEDRM Cc1ccc2cc(C(=O)O[C@H](C(=O)[O-])c3ccc(C#N)cc3)ccc2n1 ZINC000832962198 604844294 /nfs/dbraw/zinc/84/42/94/604844294.db2.gz VHFKTOIAPFTTPI-SFHVURJKSA-N -1 0 346.342 3.398 20 30 EGEDRM C#CC[C@H](NC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1)c1ccccc1 ZINC000833360953 604988649 /nfs/dbraw/zinc/98/86/49/604988649.db2.gz UCKPGLZTWWEUCG-IRXDYDNUSA-N -1 0 342.439 3.283 20 30 EGEDRM C=CCc1ccccc1OS(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000833379625 605013903 /nfs/dbraw/zinc/01/39/03/605013903.db2.gz JBLXDOLTRLBKGT-UHFFFAOYSA-N -1 0 336.340 3.020 20 30 EGEDRM C[C@H](C(=O)[O-])n1cccc1C=NNCc1ccc(C(F)(F)F)cc1 ZINC000833408141 605040562 /nfs/dbraw/zinc/04/05/62/605040562.db2.gz WSYIIIHNYIQCCU-LLVKDONJSA-N -1 0 339.317 3.276 20 30 EGEDRM C#CCOc1cccc([C@@H](C)OC(=O)C2CCC(C(=O)[O-])CC2)c1 ZINC000833367000 605116750 /nfs/dbraw/zinc/11/67/50/605116750.db2.gz OMOOGDLNTSFQFU-WLYUNCDWSA-N -1 0 330.380 3.194 20 30 EGEDRM Cc1ccc(C#N)c(NCc2ccc(OCCCC(=O)[O-])cc2)n1 ZINC000833747560 605160804 /nfs/dbraw/zinc/16/08/04/605160804.db2.gz VTZSTKVYORABRV-UHFFFAOYSA-N -1 0 325.368 3.117 20 30 EGEDRM C=CCOc1ccc(OS(=O)(=O)c2ccc(C)cc2C(=O)[O-])cc1 ZINC000833377747 605207931 /nfs/dbraw/zinc/20/79/31/605207931.db2.gz LVYOQXQOCGMMDK-UHFFFAOYSA-N -1 0 348.376 3.026 20 30 EGEDRM C[C@H](C(=O)[O-])[C@H](NC(=O)c1ccc(Cl)c(C#N)c1)c1ccccc1 ZINC000833413748 605264596 /nfs/dbraw/zinc/26/45/96/605264596.db2.gz ZLPPJMSLNGMJLE-ZBEGNZNMSA-N -1 0 342.782 3.403 20 30 EGEDRM CC(=NNCc1cccc(Cl)c1)c1ccccc1OCC(=O)[O-] ZINC000833386836 605329563 /nfs/dbraw/zinc/32/95/63/605329563.db2.gz YCDOSLXVIREVRM-UHFFFAOYSA-N -1 0 332.787 3.317 20 30 EGEDRM Cc1ccc(C[C@H](C)C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000833749038 605460523 /nfs/dbraw/zinc/46/05/23/605460523.db2.gz ZXSKZSWQUHLWAZ-KSSFIOAISA-N -1 0 337.375 3.414 20 30 EGEDRM CC(C)(C)c1cc(C(=O)N(CC#N)CC(=O)[O-])cc(C(C)(C)C)c1O ZINC000833447128 605754352 /nfs/dbraw/zinc/75/43/52/605754352.db2.gz ZOFVTEBWQIEXJN-UHFFFAOYSA-N -1 0 346.427 3.038 20 30 EGEDRM C[C@@H](Sc1ccccc1C(=O)N1CCC(C)(C#N)CC1)C(=O)[O-] ZINC000833545641 605765940 /nfs/dbraw/zinc/76/59/40/605765940.db2.gz LMSPXMUGKWHWNS-GFCCVEGCSA-N -1 0 332.425 3.018 20 30 EGEDRM C[C@@](O)(C/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cccs1 ZINC000304249860 1296907421 /nfs/dbraw/zinc/90/74/21/1296907421.db2.gz BLNGDOOENQBXFZ-OUAKBRRNSA-N -1 0 340.788 3.342 20 30 EGEDRM CCCCS(=O)(=O)[N-]C(=O)CCC(=O)c1ccc(Cl)cc1 ZINC000042344250 1291441845 /nfs/dbraw/zinc/44/18/45/1291441845.db2.gz OQPMVIVNNDKVHI-UHFFFAOYSA-N -1 0 331.821 3.389 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)Oc2ccccc2)cc1C ZINC000046929810 1291557752 /nfs/dbraw/zinc/55/77/52/1291557752.db2.gz DCFBMKCXJTVIAP-CQSZACIVSA-N -1 0 333.409 3.416 20 30 EGEDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)[C@@H](C)OCc1ccccc1 ZINC000048425885 1291604101 /nfs/dbraw/zinc/60/41/01/1291604101.db2.gz WZPAUYOKGGIEMU-CQSZACIVSA-N -1 0 333.409 3.246 20 30 EGEDRM CCCSCC(=O)[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000048515148 1291608267 /nfs/dbraw/zinc/60/82/67/1291608267.db2.gz CFTGQDNGJMOSLU-UHFFFAOYSA-N -1 0 341.376 3.494 20 30 EGEDRM COc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(Cl)s2)cc1 ZINC000048519008 1291609097 /nfs/dbraw/zinc/60/90/97/1291609097.db2.gz DCKRGCRAXLWPNS-UHFFFAOYSA-N -1 0 331.802 3.104 20 30 EGEDRM N#Cc1ccc(CCC(=O)[N-]S(=O)(=O)C=Cc2ccccc2)cc1 ZINC000048530599 1291609708 /nfs/dbraw/zinc/60/97/08/1291609708.db2.gz MHMJULNWDYUNCJ-OUKQBFOZSA-N -1 0 340.404 3.448 20 30 EGEDRM CCC[C@@H](C(=O)[N-]S(=O)(=O)c1c(C)nn(C)c1C)c1ccccc1 ZINC000048533655 1291610420 /nfs/dbraw/zinc/61/04/20/1291610420.db2.gz KJHKFTMFGOQVGP-OAHLLOKOSA-N -1 0 349.456 3.266 20 30 EGEDRM CCn1c(C)cc(C(=O)[N-]S(=O)(=O)Cc2ccc(F)cc2)c1C ZINC000048568256 1291611298 /nfs/dbraw/zinc/61/12/98/1291611298.db2.gz KLPLPLYRLASVTA-UHFFFAOYSA-N -1 0 338.404 3.099 20 30 EGEDRM Cc1cccc(O[C@H](C)C(=O)[N-]S(=O)(=O)c2ccccc2F)c1 ZINC000048587693 1291612494 /nfs/dbraw/zinc/61/24/94/1291612494.db2.gz OGVICQGIUPUQTG-GFCCVEGCSA-N -1 0 337.372 3.247 20 30 EGEDRM Cc1ccc(C(=O)CCC(=O)[N-]S(=O)(=O)c2ccccc2F)cc1 ZINC000048587522 1291612705 /nfs/dbraw/zinc/61/27/05/1291612705.db2.gz CBCLVBYRIRLGHC-UHFFFAOYSA-N -1 0 349.383 3.442 20 30 EGEDRM O=C([N-]S(=O)(=O)c1ccccc1Cl)c1ccnc(Cl)c1 ZINC000048619700 1291614131 /nfs/dbraw/zinc/61/41/31/1291614131.db2.gz ASXMZOYDOFVFBW-UHFFFAOYSA-N -1 0 331.180 3.082 20 30 EGEDRM C[C@@H](CC(=O)[N-]S(=O)(=O)N1CCCCC1)c1ccc(F)cc1 ZINC000052793771 1291712817 /nfs/dbraw/zinc/71/28/17/1291712817.db2.gz YFSDIDWBCFCPIF-LBPRGKRZSA-N -1 0 328.409 3.007 20 30 EGEDRM O=C([N-]S(=O)(=O)Cc1ccc(Cl)nc1)c1cccc(Cl)c1 ZINC000058150828 1291881519 /nfs/dbraw/zinc/88/15/19/1291881519.db2.gz KWJYZWFHTRMFJS-UHFFFAOYSA-N -1 0 345.207 3.223 20 30 EGEDRM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)COCCc2ccccc2)c1 ZINC000060765575 1291940404 /nfs/dbraw/zinc/94/04/04/1291940404.db2.gz MIJSCUKZMYUSMR-UHFFFAOYSA-N -1 0 347.436 3.208 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2cnc(C(C)(C)C)s2)cc1 ZINC000063234039 1292003725 /nfs/dbraw/zinc/00/37/25/1292003725.db2.gz BORQRVXKWDIVNF-UHFFFAOYSA-N -1 0 338.454 3.443 20 30 EGEDRM CC(C)CCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000069282132 1292237839 /nfs/dbraw/zinc/23/78/39/1292237839.db2.gz VHHCXRKHUVCYKH-NSHDSACASA-N -1 0 333.837 3.436 20 30 EGEDRM CC(C)CCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccccc1Cl ZINC000069283780 1292239167 /nfs/dbraw/zinc/23/91/67/1292239167.db2.gz UTAYEDALAFEKKM-NSHDSACASA-N -1 0 333.837 3.436 20 30 EGEDRM CO[C@@H](C(=O)[N-]S(=O)(=O)c1cc(C)ccc1C)c1ccccc1 ZINC000069533005 1292244739 /nfs/dbraw/zinc/24/47/39/1292244739.db2.gz TZAAWVWWPKMYEX-MRXNPFEDSA-N -1 0 333.409 3.336 20 30 EGEDRM CC(C)=CC(=O)[N-]S(=O)(=O)c1ccc(C)cc1Br ZINC000075040587 1292380497 /nfs/dbraw/zinc/38/04/97/1292380497.db2.gz GFDOQVASUOLXCO-UHFFFAOYSA-N -1 0 332.219 3.369 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2cccc3c2ccn3C)cc1 ZINC000077940239 1292490952 /nfs/dbraw/zinc/49/09/52/1292490952.db2.gz PIKMJDRRFIRNDZ-UHFFFAOYSA-N -1 0 328.393 3.180 20 30 EGEDRM Cc1nc(CCCC(=O)[N-]S(=O)(=O)c2cccs2)cs1 ZINC000079137390 1292542544 /nfs/dbraw/zinc/54/25/44/1292542544.db2.gz JGAFOSCUEVCPTD-UHFFFAOYSA-N -1 0 330.456 3.181 20 30 EGEDRM COc1ccc(S(=O)(=O)[N-]C(=O)c2cscc2C)c(C)c1C ZINC000079154270 1292544388 /nfs/dbraw/zinc/54/43/88/1292544388.db2.gz BHXCGNYHBXMOMZ-UHFFFAOYSA-N -1 0 339.438 3.375 20 30 EGEDRM Cc1ccccc1OCCCC(=O)[N-]S(=O)(=O)c1ccccc1 ZINC000079729698 1292574324 /nfs/dbraw/zinc/57/43/24/1292574324.db2.gz SWKJKNRQZPNMBA-UHFFFAOYSA-N -1 0 333.409 3.499 20 30 EGEDRM CCCCCCCS(=O)(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000829711077 1292608083 /nfs/dbraw/zinc/60/80/83/1292608083.db2.gz AKVSBLACCJJXME-HNNXBMFYSA-N -1 0 345.436 3.231 20 30 EGEDRM C=CCCO[C@H](C)C(=O)[N-]S(=O)(=O)Cc1ccccc1Cl ZINC000083791397 1292690831 /nfs/dbraw/zinc/69/08/31/1292690831.db2.gz SEGBCXGMGHOLMH-LLVKDONJSA-N -1 0 331.821 3.108 20 30 EGEDRM O=C(CCCOCCc1ccccc1)[N-]S(=O)(=O)C1CCCC1 ZINC000086054547 1292727740 /nfs/dbraw/zinc/72/77/40/1292727740.db2.gz KRCCHMJZPYSAEG-UHFFFAOYSA-N -1 0 339.457 3.255 20 30 EGEDRM Cc1cc(OC(F)F)c(C(=O)[N-]S(=O)(=O)C2CCCC2)s1 ZINC000086056647 1292728441 /nfs/dbraw/zinc/72/84/41/1292728441.db2.gz ABTUHGIPNPOKIG-UHFFFAOYSA-N -1 0 339.385 3.235 20 30 EGEDRM CC[C@H](C)n1ncc(C(=O)[N-]S(=O)(=O)c2ccccc2)c1C1CC1 ZINC000089963569 1292781741 /nfs/dbraw/zinc/78/17/41/1292781741.db2.gz JIGBMQXRWDTXAM-LBPRGKRZSA-N -1 0 347.440 3.425 20 30 EGEDRM Cc1ccc(F)c(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCCO3)c1 ZINC000091125526 1292821178 /nfs/dbraw/zinc/82/11/78/1292821178.db2.gz FOGDSFFDQBVUQS-UHFFFAOYSA-N -1 0 349.383 3.153 20 30 EGEDRM Cn1cc(/C=C/C(=O)c2ccc(O)cc2[O-])c(-c2cccs2)n1 ZINC000093902057 1292935659 /nfs/dbraw/zinc/93/56/59/1292935659.db2.gz YMNJLXUGHRZZKR-QPJJXVBHSA-N -1 0 326.377 3.456 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2csc(-c3ccsc3)n2)C(=O)O1 ZINC000103755932 1293013624 /nfs/dbraw/zinc/01/36/24/1293013624.db2.gz IDHNCLZVIKBVIY-HSWBROFVSA-N -1 0 345.401 3.100 20 30 EGEDRM CCCCCCCC(=O)[N-]S(=O)(=O)c1cccc2cnccc21 ZINC000105558894 1293043392 /nfs/dbraw/zinc/04/33/92/1293043392.db2.gz KHIGLFRPPZRCLT-UHFFFAOYSA-N -1 0 334.441 3.400 20 30 EGEDRM CC[C@H](NN=C1CC(c2ccc(Br)cc2F)C1)C(=O)[O-] ZINC000834980719 1293183780 /nfs/dbraw/zinc/18/37/80/1293183780.db2.gz CDUIGQYFTIKVDE-RLROJCQXSA-N -1 0 343.196 3.274 20 30 EGEDRM O=C([O-])c1ccc(N=NC2CCC(O)(C(F)(F)F)CC2)cc1F ZINC000835010073 1293186707 /nfs/dbraw/zinc/18/67/07/1293186707.db2.gz NCODEPBASNFVHH-UHFFFAOYSA-N -1 0 334.269 3.159 20 30 EGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000835039131 1293192322 /nfs/dbraw/zinc/19/23/22/1293192322.db2.gz BFCSLJPIELGWQY-ZDUSSCGKSA-N -1 0 341.367 3.203 20 30 EGEDRM O=C(/C=C/c1cc(O)ccc1Br)c1ccc(O)cc1[O-] ZINC000118946299 1293248204 /nfs/dbraw/zinc/24/82/04/1293248204.db2.gz QEBSTBZXLQANNK-LZCJLJQNSA-N -1 0 335.153 3.462 20 30 EGEDRM Cc1ccc(-c2cncc(C([O-])=C(C#N)C(=O)N3CCCC3)c2)cc1 ZINC000124488505 1293476827 /nfs/dbraw/zinc/47/68/27/1293476827.db2.gz SVINAPFELDIYCY-GOSISDBHSA-N -1 0 333.391 3.002 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cncc(-c2ccccc2)c1 ZINC000124502395 1293476929 /nfs/dbraw/zinc/47/69/29/1293476929.db2.gz QJQZKENFTLJSOE-SFHVURJKSA-N -1 0 335.407 3.377 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cncc(-c2ccccc2)c1 ZINC000124502606 1293477178 /nfs/dbraw/zinc/47/71/78/1293477178.db2.gz QJQZKENFTLJSOE-GOSISDBHSA-N -1 0 335.407 3.377 20 30 EGEDRM CC(C)NC(=O)C(C#N)=C([O-])c1cncc(-c2ccc(Cl)cc2)c1 ZINC000124568795 1293478719 /nfs/dbraw/zinc/47/87/19/1293478719.db2.gz LLYKWHONPMEPHC-MRXNPFEDSA-N -1 0 341.798 3.249 20 30 EGEDRM N#C[C@@H](C(=O)Nc1ccccn1)C(=O)c1cc(Cl)cc(Cl)c1 ZINC000126427773 1293535001 /nfs/dbraw/zinc/53/50/01/1293535001.db2.gz GFXZSYRKVMPPSS-GFCCVEGCSA-N -1 0 334.162 3.350 20 30 EGEDRM CCCOc1cccc(C([O-])=C(C#N)C(=O)NCc2ccccc2)c1 ZINC000126916424 1293547676 /nfs/dbraw/zinc/54/76/76/1293547676.db2.gz LWWYVYMRVFITGF-SFHVURJKSA-N -1 0 336.391 3.114 20 30 EGEDRM COCCOc1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])c([O-])c2)cc1 ZINC000129541022 1293627010 /nfs/dbraw/zinc/62/70/10/1293627010.db2.gz XEAPCRSGALNMIE-YCRREMRBSA-N -1 0 343.335 3.222 20 30 EGEDRM CCCCCCCCC(=O)[N-]S(=O)(=O)c1cn(C(C)C)cn1 ZINC000133099325 1293737180 /nfs/dbraw/zinc/73/71/80/1293737180.db2.gz YSNYIVUHTUWNCJ-UHFFFAOYSA-N -1 0 329.466 3.020 20 30 EGEDRM Cc1ccc2cc(C([O-])=C(C#N)C(=O)NCc3ccccc3)ccc2n1 ZINC000136568350 1293818641 /nfs/dbraw/zinc/81/86/41/1293818641.db2.gz AJFZNVCAKWNNOO-SFHVURJKSA-N -1 0 343.386 3.182 20 30 EGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)c1cc(C2CC2)[nH]n1 ZINC000147704669 1293880425 /nfs/dbraw/zinc/88/04/25/1293880425.db2.gz UPQIXHCJWBLPJO-CYBMUJFWSA-N -1 0 332.363 3.282 20 30 EGEDRM C=CCC(CC=C)C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000151345013 1293920595 /nfs/dbraw/zinc/92/05/95/1293920595.db2.gz XQAJBOLUOJYPDE-UHFFFAOYSA-N -1 0 331.796 3.052 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2ccc(F)cc2C(F)(F)F)C(=O)O1 ZINC000151377270 1293922215 /nfs/dbraw/zinc/92/22/15/1293922215.db2.gz ZADYUCHSUFQEIE-KQIUPUNMSA-N -1 0 342.244 3.073 20 30 EGEDRM CSc1cc(C([O-])=C(C#N)C(=O)NCc2ccccc2)ccc1F ZINC000155558959 1294104174 /nfs/dbraw/zinc/10/41/74/1294104174.db2.gz CZFXROFBZWWJBZ-AWEZNQCLSA-N -1 0 342.395 3.186 20 30 EGEDRM C=C[C@H](CC(=O)[N-]S(=O)(=O)CCCC(F)(F)F)c1ccccc1 ZINC000157033664 1294167176 /nfs/dbraw/zinc/16/71/76/1294167176.db2.gz FIBUFCAYODCVMP-GFCCVEGCSA-N -1 0 349.374 3.135 20 30 EGEDRM Cc1c(Br)cccc1C([O-])=C(C#N)C(=O)NC1CCCC1 ZINC000173997657 1294476184 /nfs/dbraw/zinc/47/61/84/1294476184.db2.gz AOAAJROAKLUEOC-CYBMUJFWSA-N -1 0 349.228 3.139 20 30 EGEDRM O=C(C/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-])OC1CCCCC1 ZINC000175066525 1294537508 /nfs/dbraw/zinc/53/75/08/1294537508.db2.gz QIWMLBZWVKDLFT-CAOOACKPSA-N -1 0 340.763 3.249 20 30 EGEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1ccc(Oc2ccccc2)o1 ZINC000176539922 1294614045 /nfs/dbraw/zinc/61/40/45/1294614045.db2.gz WPHSPGHPHNAOAQ-HNNXBMFYSA-N -1 0 338.363 3.453 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)Cc2ccccc2Br)c1 ZINC000176818291 1294634813 /nfs/dbraw/zinc/63/48/13/1294634813.db2.gz HWABIOJZPVJKRK-UHFFFAOYSA-N -1 0 331.169 3.208 20 30 EGEDRM COc1cc(/C=C/C(=O)c2ccc(Cl)nc2)cc([N+](=O)[O-])c1[O-] ZINC000179411186 1294791617 /nfs/dbraw/zinc/79/16/17/1294791617.db2.gz PWEYNKNLRALERR-DUXPYHPUSA-N -1 0 334.715 3.254 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cnc2ccc(F)cc2c1 ZINC000179604314 1294808205 /nfs/dbraw/zinc/80/82/05/1294808205.db2.gz PXBPRDNUWVSDIX-INIZCTEOSA-N -1 0 341.386 3.393 20 30 EGEDRM COc1cc(Br)ccc1C(=O)Nc1cc(C#N)ccc1[O-] ZINC000179742772 1294823311 /nfs/dbraw/zinc/82/33/11/1294823311.db2.gz PLIAXFACXJTGOE-UHFFFAOYSA-N -1 0 347.168 3.287 20 30 EGEDRM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccccc1O[C@@H](C)C#N ZINC000183125530 1295100170 /nfs/dbraw/zinc/10/01/70/1295100170.db2.gz TVMPEJCQOPOTCJ-LBPRGKRZSA-N -1 0 334.372 3.226 20 30 EGEDRM Cc1cccc(F)c1S(=O)(=O)[N-]c1ccccc1O[C@H](C)C#N ZINC000187043325 1295364293 /nfs/dbraw/zinc/36/42/93/1295364293.db2.gz VKXPHAOJCNKGFO-GFCCVEGCSA-N -1 0 334.372 3.226 20 30 EGEDRM C#CCOc1ccccc1[N-]S(=O)(=O)c1cccc2cccnc21 ZINC000187084358 1295366673 /nfs/dbraw/zinc/36/66/73/1295366673.db2.gz LZDWXUSREJCGEN-UHFFFAOYSA-N -1 0 338.388 3.048 20 30 EGEDRM CCN(C(C)=O)c1nc(/C=C2/Cc3cc(O)ccc3C2=O)cs1 ZINC000187230444 1295375416 /nfs/dbraw/zinc/37/54/16/1295375416.db2.gz RKXSEKFMSXWLQA-GHXNOFRVSA-N -1 0 328.393 3.044 20 30 EGEDRM O=C(/C=C/c1nccn1-c1ccccc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000191328366 1295668841 /nfs/dbraw/zinc/66/88/41/1295668841.db2.gz KQLMPNKMHKWQMG-CMDGGOBGSA-N -1 0 335.319 3.382 20 30 EGEDRM COCCN(C)c1ccc(/C=C/C(=O)c2ccc(C)cc2[O-])cn1 ZINC000191320415 1295669127 /nfs/dbraw/zinc/66/91/27/1295669127.db2.gz MMMRTJPDRPJWPI-VMPITWQZSA-N -1 0 326.396 3.074 20 30 EGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)c1ncc2n1CCCC2 ZINC000870124492 1295681712 /nfs/dbraw/zinc/68/17/12/1295681712.db2.gz XSFCAQIVQBYGOT-HNNXBMFYSA-N -1 0 346.390 3.215 20 30 EGEDRM Cc1ccc(/C=C/C(=O)c2ccc([O-])c(CN3CCOCC3)c2)cc1 ZINC000192757065 1295797509 /nfs/dbraw/zinc/79/75/09/1295797509.db2.gz PHBFOMXVWALSAK-SOFGYWHQSA-N -1 0 337.419 3.429 20 30 EGEDRM CCCc1nc(C)c(C([O-])=C(C#N)C(=O)NCc2ccccc2)s1 ZINC000193410349 1295864383 /nfs/dbraw/zinc/86/43/83/1295864383.db2.gz IWBGFJNTFQAHNV-AWEZNQCLSA-N -1 0 341.436 3.043 20 30 EGEDRM COc1ccc(C(=O)/C=C\c2ccc(OCC(=O)[O-])c(OC)c2)cc1 ZINC000211749058 1296105568 /nfs/dbraw/zinc/10/55/68/1296105568.db2.gz FNJCBIDSJKQBJO-OQFOIZHKSA-N -1 0 342.347 3.063 20 30 EGEDRM COc1ccc(/C=C\C(=O)c2ccc(C(=O)[O-])s2)c(OC)c1OC ZINC000213228852 1296110358 /nfs/dbraw/zinc/11/03/58/1296110358.db2.gz LGMYXNBRJBALFM-XQRVVYSFSA-N -1 0 348.376 3.368 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2ccc(F)cc2C(F)(F)F)C(=O)O1 ZINC000254966157 1296484352 /nfs/dbraw/zinc/48/43/52/1296484352.db2.gz ZADYUCHSUFQEIE-PKXJPQMGSA-N -1 0 342.244 3.073 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2ccc(F)cc2C(F)(F)F)C(=O)O1 ZINC000254966156 1296484728 /nfs/dbraw/zinc/48/47/28/1296484728.db2.gz ZADYUCHSUFQEIE-MFBWXBCUSA-N -1 0 342.244 3.073 20 30 EGEDRM COc1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)c2ccccc12 ZINC000255163608 1296506136 /nfs/dbraw/zinc/50/61/36/1296506136.db2.gz RYLICBCUIDCBJS-GXVATQTDSA-N -1 0 336.343 3.077 20 30 EGEDRM CC(=O)N(c1nc(/C=C\C(=O)c2ccccc2[O-])cs1)C1CC1 ZINC000255378865 1296527409 /nfs/dbraw/zinc/52/74/09/1296527409.db2.gz WPGGTAIYYJGZGP-TWGQIWQCSA-N -1 0 328.393 3.260 20 30 EGEDRM CCN(C(C)=O)c1nc(/C=C\C(=O)c2cc(F)ccc2[O-])cs1 ZINC000255626547 1296555083 /nfs/dbraw/zinc/55/50/83/1296555083.db2.gz PWJMSHDSYBAUBN-ALCCZGGFSA-N -1 0 334.372 3.257 20 30 EGEDRM C[C@@H](/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-])C(=O)OC(C)(C)C ZINC000255634387 1296555502 /nfs/dbraw/zinc/55/55/02/1296555502.db2.gz CETYRGALGHWBHA-QWFSEIHXSA-N -1 0 328.752 3.103 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])c(C=Nc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000255732318 1296564300 /nfs/dbraw/zinc/56/43/00/1296564300.db2.gz GTCHZBYOSCOABR-UHFFFAOYSA-N -1 0 345.330 3.027 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])c(/C=N\Cc2ccc(Cn3cccn3)cc2)c1 ZINC000255884034 1296574630 /nfs/dbraw/zinc/57/46/30/1296574630.db2.gz AIEQZIPXLLXSMO-UNOMPAQXSA-N -1 0 336.351 3.164 20 30 EGEDRM N#Cc1ncccc1[N-]S(=O)(=O)c1ccc(OC2CCCC2)cc1 ZINC000872010578 1296650867 /nfs/dbraw/zinc/65/08/67/1296650867.db2.gz XJHFGJXHHIPHAL-UHFFFAOYSA-N -1 0 343.408 3.075 20 30 EGEDRM C=CCC[C@@H](NC(=O)c1ccc(C2SCCS2)cc1)C(=O)[O-] ZINC000262905478 1296652872 /nfs/dbraw/zinc/65/28/72/1296652872.db2.gz MQIOPMLRALXBDB-CYBMUJFWSA-N -1 0 337.466 3.314 20 30 EGEDRM C=CCC[C@@H](NC(=O)CCc1ncc(-c2ccc(C)cc2)o1)C(=O)[O-] ZINC000263043977 1296658206 /nfs/dbraw/zinc/65/82/06/1296658206.db2.gz ZWXSJZMKOPSKFD-OAHLLOKOSA-N -1 0 342.395 3.118 20 30 EGEDRM C=CCC[C@H](NC(=O)[C@H](C)Oc1cccc2ccccc21)C(=O)[O-] ZINC000263519671 1296688054 /nfs/dbraw/zinc/68/80/54/1296688054.db2.gz GNDNDOMXNXGXFP-BBRMVZONSA-N -1 0 327.380 3.143 20 30 EGEDRM CC(=O)Nc1ccc(C(=O)/C=C\c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000588419481 1298063252 /nfs/dbraw/zinc/06/32/52/1298063252.db2.gz OOOGGKLQPPJBIR-WAPJZHGLSA-N -1 0 326.308 3.155 20 30 EGEDRM N#Cc1ccc(C(=O)[O-])nc1/C=C\c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000588509423 1298077164 /nfs/dbraw/zinc/07/71/64/1298077164.db2.gz WBNBKEREUZHFAN-RJRFIUFISA-N -1 0 329.699 3.383 20 30 EGEDRM COc1ccc(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([O-])c1 ZINC000588594696 1298089888 /nfs/dbraw/zinc/08/98/88/1298089888.db2.gz MIAFYGKIDNFNDG-CLTKARDFSA-N -1 0 344.279 3.113 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cncc(Cl)c2)c(Cl)c1 ZINC000691049511 1298131597 /nfs/dbraw/zinc/13/15/97/1298131597.db2.gz CMEFFPARUWRFHV-UHFFFAOYSA-N -1 0 328.180 3.061 20 30 EGEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N\CCc2ccc3c(c2)OCO3)c1[O-] ZINC000746244182 1298557339 /nfs/dbraw/zinc/55/73/39/1298557339.db2.gz YMFKHZJTMHJMAJ-LSCVHKIXSA-N -1 0 348.742 3.344 20 30 EGEDRM CNC(=O)C(C#N)=C([O-])c1ccc(Oc2ccccc2Cl)cc1 ZINC000747108840 1298729870 /nfs/dbraw/zinc/72/98/70/1298729870.db2.gz KPIVEELNBCCLGC-ZDUSSCGKSA-N -1 0 328.755 3.201 20 30 EGEDRM Cc1n[nH]c(C)c1/C=C\C(=O)c1cc(C(=O)[O-])ccc1OC(C)C ZINC000876498341 1298793924 /nfs/dbraw/zinc/79/39/24/1298793924.db2.gz VMJYTSAKIKHWTE-SREVYHEPSA-N -1 0 328.368 3.408 20 30 EGEDRM O=[N+]([O-])c1ccc(C=NNc2ccc(Cl)cc2[N+](=O)[O-])cc1[O-] ZINC000748132533 1298934178 /nfs/dbraw/zinc/93/41/78/1298934178.db2.gz CHGFQPLRIFDXKB-UHFFFAOYSA-N -1 0 336.691 3.308 20 30 EGEDRM COc1cc(/C=C/c2ncc(/C=C/C(=O)[O-])s2)ccc1OCC#N ZINC000748441485 1299008248 /nfs/dbraw/zinc/00/82/48/1299008248.db2.gz KQJUFVBHUQCUMO-XOKGJFMYSA-N -1 0 342.376 3.322 20 30 EGEDRM C=CCn1c(C)cc(C(=O)COC(=O)c2cc(F)c([O-])c(F)c2)c1C ZINC000748483468 1299021267 /nfs/dbraw/zinc/02/12/67/1299021267.db2.gz SQDMQDSKBPJIMT-UHFFFAOYSA-N -1 0 349.333 3.314 20 30 EGEDRM Cc1nnc(NN=Cc2cc(C(F)(F)F)ccc2Cl)[n-]c1=O ZINC000753688047 1300005700 /nfs/dbraw/zinc/00/57/00/1300005700.db2.gz CMAANTHWTFHTNJ-UHFFFAOYSA-N -1 0 331.685 3.004 20 30 EGEDRM Cc1nnc(NN=C2CC3(CCCCC3)Oc3ccccc32)[n-]c1=O ZINC000753688021 1300006456 /nfs/dbraw/zinc/00/64/56/1300006456.db2.gz CFHCADCIFZKDIA-UHFFFAOYSA-N -1 0 339.399 3.187 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2cccc(C)c2Cl)n1 ZINC000754991265 1300263009 /nfs/dbraw/zinc/26/30/09/1300263009.db2.gz PSBMNBOYWFUQDO-LBPRGKRZSA-N -1 0 348.811 3.447 20 30 EGEDRM CCCCCCCCNC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000755216621 1300300155 /nfs/dbraw/zinc/30/01/55/1300300155.db2.gz UWJBJBLSQRYGRB-UHFFFAOYSA-N -1 0 347.484 3.313 20 30 EGEDRM COc1cc2c(c(C=NNc3cccc(C(=O)[O-])c3)c1)O[C@@H](C)C2 ZINC000755473489 1300343178 /nfs/dbraw/zinc/34/31/78/1300343178.db2.gz XCVXZMIBTSOMAD-NSHDSACASA-N -1 0 326.352 3.163 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])cc1CN=Nc1nc(C(F)(F)F)cs1 ZINC000755906463 1300413195 /nfs/dbraw/zinc/41/31/95/1300413195.db2.gz YSZZUSYTOJUILW-UHFFFAOYSA-N -1 0 332.263 3.222 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1[N-][NH+]=C(C)c1ccc(N(C)C)cc1 ZINC000756900812 1300586262 /nfs/dbraw/zinc/58/62/62/1300586262.db2.gz CJEHFNARMJZSGF-UHFFFAOYSA-N -1 0 327.384 3.296 20 30 EGEDRM C#CC[C@H](NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-])c1ccccc1 ZINC000757925711 1300758648 /nfs/dbraw/zinc/75/86/48/1300758648.db2.gz RJLXQPAQMDEWEU-KRWDZBQOSA-N -1 0 349.365 3.211 20 30 EGEDRM O=C(/C=C\c1cn2cc(Cl)ccc2n1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000759090469 1301012711 /nfs/dbraw/zinc/01/27/11/1301012711.db2.gz LHFQWJVJLHFRDQ-RQOWECAXSA-N -1 0 343.726 3.498 20 30 EGEDRM COc1cc(/C=C\C(=O)c2cc([N+](=O)[O-])ccc2[O-])cc(OC)c1 ZINC000759089099 1301013083 /nfs/dbraw/zinc/01/30/83/1301013083.db2.gz FZXLARRFLLTSBM-HYXAFXHYSA-N -1 0 329.308 3.214 20 30 EGEDRM C#CCCCCNC(=O)c1cc(Cl)cc(Br)c1[O-] ZINC000759093653 1301013660 /nfs/dbraw/zinc/01/36/60/1301013660.db2.gz KMACUUJVPXUSJH-UHFFFAOYSA-N -1 0 330.609 3.341 20 30 EGEDRM CN(C)c1cc(F)ccc1C(=O)/C=C/c1ccc([O-])c([N+](=O)[O-])c1 ZINC000759604687 1301127490 /nfs/dbraw/zinc/12/74/90/1301127490.db2.gz DSCLZDKEKQWVCU-XVNBXDOJSA-N -1 0 330.315 3.402 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)c1cc2c(ccc(Cl)c2Cl)[nH]1 ZINC000762049517 1301600324 /nfs/dbraw/zinc/60/03/24/1301600324.db2.gz CQMBXNHAJOEHGZ-UHFFFAOYSA-N -1 0 327.167 3.188 20 30 EGEDRM Cc1cc(Cl)cc(C([O-])=C(C#N)C(=O)NCc2ccccc2)c1 ZINC000763476519 1301912133 /nfs/dbraw/zinc/91/21/33/1301912133.db2.gz KHLBIBDDPHSSQO-MRXNPFEDSA-N -1 0 326.783 3.287 20 30 EGEDRM CC(N=Nc1ncccn1)c1cc(Br)cc(Cl)c1[O-] ZINC000764684682 1302117315 /nfs/dbraw/zinc/11/73/15/1302117315.db2.gz OXBNMNOSNKGKCQ-UHFFFAOYSA-N -1 0 341.596 3.434 20 30 EGEDRM N#CC(=C([O-])c1sc(N2CCCC2)nc1Cl)c1ccccn1 ZINC000764763732 1302129259 /nfs/dbraw/zinc/12/92/59/1302129259.db2.gz WKBJPNJULOGCRQ-JTQLQIEISA-N -1 0 332.816 3.282 20 30 EGEDRM O=C([O-])c1ccc2c(C=NNCc3cccc(Cl)c3)[nH]nc2c1 ZINC000765582314 1302285560 /nfs/dbraw/zinc/28/55/60/1302285560.db2.gz WOBHIFQZXLXYMP-UHFFFAOYSA-N -1 0 328.759 3.038 20 30 EGEDRM COc1cc(/C=C\C(=O)c2cc([N+](=O)[O-])ccc2[O-])ccc1[N+](=O)[O-] ZINC000770574707 1303287639 /nfs/dbraw/zinc/28/76/39/1303287639.db2.gz LNNOZJMAVHZUIG-UTCJRWHESA-N -1 0 344.279 3.113 20 30 EGEDRM CN(C(=O)OC(C)(C)C)C(C)(C)CN=Nc1ccc(C(=O)[O-])cc1 ZINC000770591588 1303290796 /nfs/dbraw/zinc/29/07/96/1303290796.db2.gz YFGZNCKNUYWYSW-UHFFFAOYSA-N -1 0 335.404 3.428 20 30 EGEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1cc2c(cccc2Cl)s1 ZINC000770865207 1303323115 /nfs/dbraw/zinc/32/31/15/1303323115.db2.gz BRSNPXWMMWVQIN-SNVBAGLBSA-N -1 0 343.795 3.494 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)c2cccc(OCC(F)(F)F)c2)c1 ZINC000771027780 1303349050 /nfs/dbraw/zinc/34/90/50/1303349050.db2.gz JLSOEYINFJUCEC-UHFFFAOYSA-N -1 0 336.269 3.457 20 30 EGEDRM CCCCC1CCC(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)CC1 ZINC000771076868 1303357631 /nfs/dbraw/zinc/35/76/31/1303357631.db2.gz HDXANGBWEXBOKV-UHFFFAOYSA-N -1 0 340.489 3.123 20 30 EGEDRM COc1cc2c(cc1C/N=C/c1cc([N+](=O)[O-])ccc1[O-])O[C@H](C)C2 ZINC000772801366 1303578570 /nfs/dbraw/zinc/57/85/70/1303578570.db2.gz FTXWPGISYUALSE-YXZFXQPTSA-N -1 0 342.351 3.252 20 30 EGEDRM C[C@H](Oc1cccc(/C=C2\Oc3cc(F)ccc3C2=O)c1)C(=O)[O-] ZINC000773169453 1303637289 /nfs/dbraw/zinc/63/72/89/1303637289.db2.gz CWUKLRCNRABQNV-SYEOYNTFSA-N -1 0 328.295 3.294 20 30 EGEDRM C=C(CC)COC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000773517177 1303697864 /nfs/dbraw/zinc/69/78/64/1303697864.db2.gz COSBNDBGVSANOY-UHFFFAOYSA-N -1 0 336.185 3.414 20 30 EGEDRM CN1C(=O)CCc2cc(/C=C\C(=O)c3ccc(C(=O)[O-])s3)ccc21 ZINC000774115126 1303775546 /nfs/dbraw/zinc/77/55/46/1303775546.db2.gz NRYKBUMMJRPTLB-UTCJRWHESA-N -1 0 341.388 3.251 20 30 EGEDRM O=C([O-])c1ccoc1COc1ccc(C=NOC2CCOCC2)cc1 ZINC000774442661 1303810418 /nfs/dbraw/zinc/81/04/18/1303810418.db2.gz SQHQHJOJHBTOGA-UHFFFAOYSA-N -1 0 345.351 3.086 20 30 EGEDRM CC(N=Nc1ccc(C(F)(F)F)nn1)c1ccc(C(=O)[O-])c(F)c1 ZINC000776775338 1304197531 /nfs/dbraw/zinc/19/75/31/1304197531.db2.gz HIFAVQKSZOYWNC-UHFFFAOYSA-N -1 0 342.252 3.169 20 30 EGEDRM CC1(C)CCC(CC(=O)[N-]S(=O)(=O)CC2(C#N)CCCC2)CC1 ZINC000779319869 1304556169 /nfs/dbraw/zinc/55/61/69/1304556169.db2.gz VWBNSYGVAQHQJU-UHFFFAOYSA-N -1 0 340.489 3.123 20 30 EGEDRM CC(=NNc1ccncc1)c1cc(Br)cc(Cl)c1[O-] ZINC000779812119 1304608543 /nfs/dbraw/zinc/60/85/43/1304608543.db2.gz ZCTAHAVKMRZENY-UHFFFAOYSA-N -1 0 340.608 3.461 20 30 EGEDRM C=C[C@H]1CCCCN1S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1Cl ZINC000781959095 1304896184 /nfs/dbraw/zinc/89/61/84/1304896184.db2.gz UMAUOSDDDPBTTH-LBPRGKRZSA-N -1 0 343.832 3.076 20 30 EGEDRM C=CCS(=O)(=O)[N-]C(=O)c1ccc(C)cc1Sc1ccccc1 ZINC000784900058 1305291431 /nfs/dbraw/zinc/29/14/31/1305291431.db2.gz KMQNCMRMTXGGNJ-UHFFFAOYSA-N -1 0 347.461 3.392 20 30 EGEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2cc3ccccc3n2C)c1 ZINC000786537892 1305592800 /nfs/dbraw/zinc/59/28/00/1305592800.db2.gz BNTCRPIGTTYFLU-QGZVFWFLSA-N -1 0 345.402 3.126 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)sc1C ZINC000786549382 1305595513 /nfs/dbraw/zinc/59/55/13/1305595513.db2.gz IIUKKEBKOARIPR-OAHLLOKOSA-N -1 0 326.421 3.312 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)C(=O)NCc2ccc(F)c(F)c2)ccc1F ZINC000786570754 1305601144 /nfs/dbraw/zinc/60/11/44/1305601144.db2.gz UCMZMKLFACAQTF-ZDUSSCGKSA-N -1 0 346.308 3.051 20 30 EGEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1ccc2c(c1)COC2)c1ccccc1 ZINC000787042806 1305683125 /nfs/dbraw/zinc/68/31/25/1305683125.db2.gz YSRXKYQTPSTQBE-MOPGFXCFSA-N -1 0 348.402 3.307 20 30 EGEDRM CNc1c(C([O-])=C(C#N)c2nc3ccccc3o2)cccc1[N+](=O)[O-] ZINC000788080610 1305861140 /nfs/dbraw/zinc/86/11/40/1305861140.db2.gz FOKWZNPDZFRPMT-NSHDSACASA-N -1 0 336.307 3.268 20 30 EGEDRM C=CCN(C(=O)Nc1ncccc1C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000788319328 1305921198 /nfs/dbraw/zinc/92/11/98/1305921198.db2.gz KOMQHGKFKKYPFH-INIZCTEOSA-N -1 0 339.395 3.106 20 30 EGEDRM O=C([O-])[C@@H]1CCC(=NNCCCOc2ccccc2)c2ccccc21 ZINC000789004236 1306062835 /nfs/dbraw/zinc/06/28/35/1306062835.db2.gz QAOMUMYMEQOELW-GOSISDBHSA-N -1 0 338.407 3.411 20 30 EGEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N\Cc2cnn3ccccc23)c1[O-] ZINC000794676285 1309570608 /nfs/dbraw/zinc/57/06/08/1309570608.db2.gz LQGUYOHHQHCDOU-IDUWFGFVSA-N -1 0 330.731 3.221 20 30 EGEDRM C#Cc1cccc(NS(=O)(=O)c2cc(Cl)c(C)c(C(=O)[O-])c2)c1 ZINC000794867240 1309613331 /nfs/dbraw/zinc/61/33/31/1309613331.db2.gz VEIZUYPEPJCSCI-UHFFFAOYSA-N -1 0 349.795 3.129 20 30 EGEDRM C=CCC(C)(C)C(=O)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000796714746 1310070804 /nfs/dbraw/zinc/07/08/04/1310070804.db2.gz ZUDBQPXBAIKGAG-UHFFFAOYSA-N -1 0 342.269 3.462 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cnc2c(F)cccc2c1 ZINC000796743515 1310078866 /nfs/dbraw/zinc/07/88/66/1310078866.db2.gz XUBQJXACLGTVSK-HNNXBMFYSA-N -1 0 341.386 3.393 20 30 EGEDRM CC(F)(F)c1ccc(C([O-])=C(C#N)C(=O)NCc2ccccc2)cc1 ZINC000796743511 1310078873 /nfs/dbraw/zinc/07/88/73/1310078873.db2.gz BHGIUTIPMHUITN-INIZCTEOSA-N -1 0 342.345 3.437 20 30 EGEDRM C=CCC1(C(=O)[N-]S(=O)(=O)c2cc(C(C)=O)c(C)cc2C)CCC1 ZINC000797190885 1310155816 /nfs/dbraw/zinc/15/58/16/1310155816.db2.gz VCRNZGGFLUZFRD-UHFFFAOYSA-N -1 0 349.452 3.057 20 30 EGEDRM CCc1occc1C([O-])=C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000797561773 1310211421 /nfs/dbraw/zinc/21/14/21/1310211421.db2.gz NSYVCBMJOBMKNO-AWEZNQCLSA-N -1 0 330.771 3.134 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)NCc1ccccc1Oc1ccccc1 ZINC000797715582 1310235792 /nfs/dbraw/zinc/23/57/92/1310235792.db2.gz QBLAGMJHUDCXQU-UHFFFAOYSA-N -1 0 340.379 3.261 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)Nc1cccc(COCc2ccco2)c1 ZINC000797740508 1310240413 /nfs/dbraw/zinc/24/04/13/1310240413.db2.gz ZCBLASBGCYCUEI-UHFFFAOYSA-N -1 0 344.367 3.101 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000797745962 1310241545 /nfs/dbraw/zinc/24/15/45/1310241545.db2.gz HPSLSWLKDVPDOO-UHFFFAOYSA-N -1 0 332.400 3.250 20 30 EGEDRM CSc1ccc(S(=O)(=O)[N-]c2cnc(Cl)cc2C#N)cc1 ZINC000798211137 1310317567 /nfs/dbraw/zinc/31/75/67/1310317567.db2.gz ZZTDNLSEYBMFGB-UHFFFAOYSA-N -1 0 339.829 3.129 20 30 EGEDRM C=C[C@@H](OC(=O)c1ccc2c(c1)[n-]c(=S)n(CC)c2=O)C(C)(C)C ZINC000798902176 1310456335 /nfs/dbraw/zinc/45/63/35/1310456335.db2.gz UPOLKGDTLMWEGP-CQSZACIVSA-N -1 0 346.452 3.463 20 30 EGEDRM CCCCCCCS(=O)(=O)[N-]c1nc(CC)c(C(=O)OC)s1 ZINC000799641061 1310592578 /nfs/dbraw/zinc/59/25/78/1310592578.db2.gz XAZJMJMBNXJISM-UHFFFAOYSA-N -1 0 348.490 3.204 20 30 EGEDRM CCCCCCCS(=O)(=O)[N-]c1n[nH]c2cc(OC)ccc21 ZINC000799647070 1310595708 /nfs/dbraw/zinc/59/57/08/1310595708.db2.gz VPTNNIQUJQPSPR-UHFFFAOYSA-N -1 0 325.434 3.284 20 30 EGEDRM N#CC1(c2ccccn2)CCN(C(=O)c2cccc(Cl)c2[O-])CC1 ZINC000800582771 1310785448 /nfs/dbraw/zinc/78/54/48/1310785448.db2.gz FPIVLJGIPHZHLY-UHFFFAOYSA-N -1 0 341.798 3.138 20 30 EGEDRM Cc1[nH]c(CN=Nc2ncnc3sc(C)c(C)c32)cc1C(=O)[O-] ZINC000800807422 1310809182 /nfs/dbraw/zinc/80/91/82/1310809182.db2.gz XKGOJAXUEGTAQW-UHFFFAOYSA-N -1 0 329.385 3.089 20 30 EGEDRM N#C[C@@H](OC(=O)c1nn(-c2ccccc2F)cc1[O-])C1CCCCC1 ZINC000801380161 1310920302 /nfs/dbraw/zinc/92/03/02/1310920302.db2.gz RFMUCUYLBAYLCV-MRXNPFEDSA-N -1 0 343.358 3.346 20 30 EGEDRM Cc1ccccc1Oc1ccc(C([O-])=C(C#N)C(=O)NC(C)C)nc1 ZINC000838786788 1320816213 /nfs/dbraw/zinc/81/62/13/1320816213.db2.gz DONGZZGRIKLPNG-HNNXBMFYSA-N -1 0 337.379 3.029 20 30 EGEDRM C=CC[C@H]1CCCN(C(=O)c2ccc3c(=O)[nH]c(=S)[n-]c3c2)C1 ZINC000857310189 1328528273 /nfs/dbraw/zinc/52/82/73/1328528273.db2.gz ZATKDHCQDCPPJZ-NSHDSACASA-N -1 0 329.425 3.052 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(Cl)nc2C)n1 ZINC000802056355 1316976985 /nfs/dbraw/zinc/97/69/85/1316976985.db2.gz KRKDMIZHZAEWID-JTQLQIEISA-N -1 0 349.799 3.167 20 30 EGEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1coc(C2CC2)n1)c1ccccc1 ZINC000802219478 1316990229 /nfs/dbraw/zinc/99/02/29/1316990229.db2.gz XXHGSOYISLFUIM-CABCVRRESA-N -1 0 337.379 3.142 20 30 EGEDRM C[C@@H](Oc1ccc(/C=C\C(=O)c2ccnn2C2CCC2)cc1)C(=O)[O-] ZINC000899397828 1317019418 /nfs/dbraw/zinc/01/94/18/1317019418.db2.gz VTSJBJFWTXIPDL-PGJNLMOESA-N -1 0 340.379 3.356 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]C(=O)CCCCCC#N)c(Cl)cc1F ZINC000805896621 1317436602 /nfs/dbraw/zinc/43/66/02/1317436602.db2.gz AMRIUJPJHGNNOL-UHFFFAOYSA-N -1 0 346.811 3.067 20 30 EGEDRM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000901551689 1317444208 /nfs/dbraw/zinc/44/42/08/1317444208.db2.gz IYJTWHHZUQPFGE-ROUUACIJSA-N -1 0 343.423 3.072 20 30 EGEDRM C[C@@H](Oc1cccc(/C=C2/Cc3nc(Cl)ccc3C2=O)c1)C(=O)[O-] ZINC000806577498 1317505964 /nfs/dbraw/zinc/50/59/64/1317505964.db2.gz SHWPBOXLDPVNOM-VPMLRQHESA-N -1 0 343.766 3.409 20 30 EGEDRM Cc1nn(C)c2sc(C(=O)/C=C/c3cc([O-])ccc3[N+](=O)[O-])cc12 ZINC000806578954 1317506318 /nfs/dbraw/zinc/50/63/18/1317506318.db2.gz QEGSMEIWXFTVPT-ZZXKWVIFSA-N -1 0 343.364 3.453 20 30 EGEDRM COc1ccc(C=NNc2ccc(C(=O)[O-])cc2OC)c(C)c1OC ZINC000807982389 1317606939 /nfs/dbraw/zinc/60/69/39/1317606939.db2.gz YWDFYEYULXGDMI-UHFFFAOYSA-N -1 0 344.367 3.165 20 30 EGEDRM Cc1cc([N+](=O)[O-])ccc1NN=Cc1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000807990263 1317607761 /nfs/dbraw/zinc/60/77/61/1317607761.db2.gz WPMVLCDQNRAQLF-LBPRGKRZSA-N -1 0 343.339 3.201 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2SC(F)F)o1 ZINC000808069835 1317619862 /nfs/dbraw/zinc/61/98/62/1317619862.db2.gz BVPUFKZEWWYEKL-UHFFFAOYSA-N -1 0 330.337 3.267 20 30 EGEDRM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1ocnc1C1CC1 ZINC000808978737 1317755723 /nfs/dbraw/zinc/75/57/23/1317755723.db2.gz AKUDDOFUZDTWNB-GFCCVEGCSA-N -1 0 329.743 3.167 20 30 EGEDRM C=C[C@@H](CC(=O)[N-]S(=O)(=O)Cc1ccc(C)cc1)c1ccccc1 ZINC000809065392 1317765677 /nfs/dbraw/zinc/76/56/77/1317765677.db2.gz BHWDURCLRNDDLD-KRWDZBQOSA-N -1 0 343.448 3.301 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2cc3ccccc3cc2OC)CC1 ZINC000810984109 1318086910 /nfs/dbraw/zinc/08/69/10/1318086910.db2.gz RVYAWUXAAAUIGI-UHFFFAOYSA-N -1 0 345.420 3.017 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2ccc(O[C@H](C)CC)cc2)CC1 ZINC000810983846 1318087228 /nfs/dbraw/zinc/08/72/28/1318087228.db2.gz ISSSFKAFAPTARB-CYBMUJFWSA-N -1 0 337.441 3.032 20 30 EGEDRM O=C([O-])c1ccc2c(c1)CCCCC2N=Nc1ncccc1[N+](=O)[O-] ZINC000811645105 1318217968 /nfs/dbraw/zinc/21/79/68/1318217968.db2.gz YXTIIRFJDBVTGA-UHFFFAOYSA-N -1 0 340.339 3.231 20 30 EGEDRM COc1ccc(F)cc1/C=C/C(=O)c1ccc(OC)c(CC(=O)[O-])c1 ZINC000812242701 1318350848 /nfs/dbraw/zinc/35/08/48/1318350848.db2.gz ZGNPBUZBIUAXFQ-ZZXKWVIFSA-N -1 0 344.338 3.366 20 30 EGEDRM C=CCC[C@H](NC(=O)NC[C@@H](c1ccccc1)C(F)(F)F)C(=O)[O-] ZINC000909099489 1318436303 /nfs/dbraw/zinc/43/63/03/1318436303.db2.gz JBWVRSMQHIRYPG-STQMWFEESA-N -1 0 344.333 3.051 20 30 EGEDRM C#CCC1(C(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)CCCCC1 ZINC000909425082 1318472170 /nfs/dbraw/zinc/47/21/70/1318472170.db2.gz UURDQOUJHPSZAL-KRWDZBQOSA-N -1 0 325.408 3.171 20 30 EGEDRM CC(C)(C)OC(=O)NCC1(CN=Nc2cccc(C(=O)[O-])c2)CCC1 ZINC000814687487 1318800335 /nfs/dbraw/zinc/80/03/35/1318800335.db2.gz KKCVXXSNAZWTGG-UHFFFAOYSA-N -1 0 347.415 3.478 20 30 EGEDRM C[C@H]1C[C@H](C(=O)[O-])CCC1N=Nc1ncnc2sc3c(c21)CCC3 ZINC000814726675 1318805716 /nfs/dbraw/zinc/80/57/16/1318805716.db2.gz ZZAJJJWQXDNVEL-VHSXEESVSA-N -1 0 344.440 3.469 20 30 EGEDRM O=C([O-])C1(c2ccccc2)CC(=NNCc2ccc(F)c(F)c2)C1 ZINC000814808930 1318822398 /nfs/dbraw/zinc/82/23/98/1318822398.db2.gz VHMPUCBBEVDLOF-UHFFFAOYSA-N -1 0 330.334 3.227 20 30 EGEDRM CC(CCCO)N=Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000814829918 1318826979 /nfs/dbraw/zinc/82/69/79/1318826979.db2.gz OVRVYGLPPOUFCV-UHFFFAOYSA-N -1 0 347.440 3.048 20 30 EGEDRM CCN(CC)c1ccnc(N=NCc2cc(C(=O)[O-])c(C)cc2C)n1 ZINC000814871199 1318835523 /nfs/dbraw/zinc/83/55/23/1318835523.db2.gz JWDDFGKVOSHTSE-UHFFFAOYSA-N -1 0 341.415 3.084 20 30 EGEDRM C[C@H]1C(N=Nc2ccc(C(F)(F)F)nn2)CC[C@@H](C(=O)[O-])C1(C)C ZINC000814886806 1318840118 /nfs/dbraw/zinc/84/01/18/1318840118.db2.gz CYDWTHOEGYBUEF-IUCAKERBSA-N -1 0 344.337 3.420 20 30 EGEDRM CC(C)c1nccnc1N=NC(C)c1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000814917376 1318847665 /nfs/dbraw/zinc/84/76/65/1318847665.db2.gz ULNNZTRRFVNVAR-ZDUSSCGKSA-N -1 0 342.399 3.288 20 30 EGEDRM N#C[C@H]([N-]C(=O)[C@H](F)C(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC000815544309 1319013304 /nfs/dbraw/zinc/01/33/04/1319013304.db2.gz QKLAROBKAGGKKO-IUCAKERBSA-N -1 0 328.187 3.287 20 30 EGEDRM CNC(=O)C(C#N)=C([O-])c1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000815911769 1319072269 /nfs/dbraw/zinc/07/22/69/1319072269.db2.gz NTUDSOSTGCIYDK-NSHDSACASA-N -1 0 336.269 3.034 20 30 EGEDRM C[C@@H]1CN(c2ccccc2C=[NH+][N-]c2ccc(C(=O)[O-])cc2)CCO1 ZINC000915933403 1319565764 /nfs/dbraw/zinc/56/57/64/1319565764.db2.gz JUWCTDCLYJRHJW-CQSZACIVSA-N -1 0 339.395 3.056 20 30 EGEDRM O=C1Nc2cc(O)ccc2C1=N[N-]c1nc(-c2ccccc2)cs1 ZINC000915956641 1319569128 /nfs/dbraw/zinc/56/91/28/1319569128.db2.gz XJCCVNLODJGXHR-UHFFFAOYSA-N -1 0 336.376 3.284 20 30 EGEDRM C[C@@H]1CCC[C@H](NC(=S)NN=Cc2ccccc2C(=O)[O-])[C@H]1C ZINC000916607669 1319682672 /nfs/dbraw/zinc/68/26/72/1319682672.db2.gz KWVPQDJWNSNQTD-XUJVJEKNSA-N -1 0 333.457 3.008 20 30 EGEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1ccc2[nH]c3c(c2c1)CCCCC3 ZINC000916872003 1319717777 /nfs/dbraw/zinc/71/77/77/1319717777.db2.gz YSIBMNXGQUYQQK-QGZVFWFLSA-N -1 0 349.434 3.382 20 30 EGEDRM N#CC(C(=O)NC1CC1)=C([O-])c1ccc2[nH]c3c(c2c1)CCCCC3 ZINC000916931046 1319725683 /nfs/dbraw/zinc/72/56/83/1319725683.db2.gz MLWIQVCOCIDPRB-MRXNPFEDSA-N -1 0 335.407 3.038 20 30 EGEDRM COCCOc1cccc(/C=C/C(=O)c2ccc(CC(=O)[O-])cc2)c1 ZINC000917145389 1319763496 /nfs/dbraw/zinc/76/34/96/1319763496.db2.gz LQINVSSEISXUOB-JXMROGBWSA-N -1 0 340.375 3.235 20 30 EGEDRM C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000819937830 1319807340 /nfs/dbraw/zinc/80/73/40/1319807340.db2.gz LHTPKKMMCDCFCF-UHFFFAOYSA-N -1 0 336.240 3.401 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)NCC2CCCCCCC2)cc1C#N ZINC000918370234 1319947494 /nfs/dbraw/zinc/94/74/94/1319947494.db2.gz XHEQJDZITXVLAX-UHFFFAOYSA-N -1 0 333.457 3.471 20 30 EGEDRM C=C[C@H](C)O[N-]C(=O)[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 ZINC000824033348 1320224110 /nfs/dbraw/zinc/22/41/10/1320224110.db2.gz JVGAZKARWVCHSR-JSGCOSHPSA-N -1 0 332.400 3.148 20 30 EGEDRM Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C/c1ccnn1CC(C)C)CC2 ZINC000843270149 1321496231 /nfs/dbraw/zinc/49/62/31/1321496231.db2.gz XADXFRIEVQMWOQ-XYOKQWHBSA-N -1 0 328.368 3.351 20 30 EGEDRM C#CC1CCN(C(=O)c2cc(Cl)cc(Br)c2[O-])CC1 ZINC000844149475 1321573972 /nfs/dbraw/zinc/57/39/72/1321573972.db2.gz PWBCUHZDPAWOKL-UHFFFAOYSA-N -1 0 342.620 3.294 20 30 EGEDRM CC(C)c1[nH]ccc1C([O-])=C(C#N)C(=O)NCc1ccc(F)cc1F ZINC000845526093 1321716604 /nfs/dbraw/zinc/71/66/04/1321716604.db2.gz CVKZLTIZBQCQLG-CQSZACIVSA-N -1 0 345.349 3.055 20 30 EGEDRM CC(C)(C)OC(=O)[C@]1(C(=O)Nc2cc(C#N)ccc2[O-])CC=CCC1 ZINC000845886621 1321750903 /nfs/dbraw/zinc/75/09/03/1321750903.db2.gz DYXYCKOBHXGICP-LJQANCHMSA-N -1 0 342.395 3.271 20 30 EGEDRM C=C(C)CO[N-]C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)Cc2ccccc21 ZINC000846531862 1321791193 /nfs/dbraw/zinc/79/11/93/1321791193.db2.gz HVLSLJSUGGCIGE-MRXNPFEDSA-N -1 0 346.427 3.145 20 30 EGEDRM C=C[C@@H](C)O[N-]C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)Cc2ccccc21 ZINC000846555727 1321793630 /nfs/dbraw/zinc/79/36/30/1321793630.db2.gz XWDFRDASOSLTRO-CZUORRHYSA-N -1 0 346.427 3.143 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])C(C)=Cc2ccco2)n1 ZINC000847633814 1321886011 /nfs/dbraw/zinc/88/60/11/1321886011.db2.gz OVBHJICHZGVBEK-OFFHKIPUSA-N -1 0 330.365 3.193 20 30 EGEDRM CC1(C)Cc2nc(N)sc2C(=[NH+][N-]c2ccc(CC(=O)[O-])cc2)C1 ZINC000848414071 1321957543 /nfs/dbraw/zinc/95/75/43/1321957543.db2.gz IQHRRFKDZZYWKB-UHFFFAOYSA-N -1 0 344.440 3.141 20 30 EGEDRM CC(=NNc1ccc(CC(=O)[O-])cc1)c1ccc2c(c1)OCCCO2 ZINC000848415172 1321958567 /nfs/dbraw/zinc/95/85/67/1321958567.db2.gz IHJCGGMYIVNDII-UHFFFAOYSA-N -1 0 340.379 3.311 20 30 EGEDRM Cc1cccc(-c2ccc(CN3C(=O)CC[C@H]3C(=O)[O-])cc2)c1C#N ZINC000849476575 1322123819 /nfs/dbraw/zinc/12/38/19/1322123819.db2.gz UPIYOASOJBFPNR-SFHVURJKSA-N -1 0 334.375 3.109 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)C[C@@H]2CCCC[C@H]2C)n1 ZINC000920727663 1322212666 /nfs/dbraw/zinc/21/26/66/1322212666.db2.gz KZOMGMOJYWPFNK-KWCYVHTRSA-N -1 0 334.441 3.387 20 30 EGEDRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CC1(C#N)CCCCC1 ZINC000851043626 1322327033 /nfs/dbraw/zinc/32/70/33/1322327033.db2.gz RKZVVABOWJAHQM-INIZCTEOSA-N -1 0 348.468 3.448 20 30 EGEDRM CC[C@@](C)(C#N)C(=O)Nc1cc(C(=O)[O-])c(Br)cc1C ZINC000923105248 1322693292 /nfs/dbraw/zinc/69/32/92/1322693292.db2.gz PRHFURFECKUIJN-AWEZNQCLSA-N -1 0 339.189 3.334 20 30 EGEDRM Cc1cc(N=NC(C)c2cc(C(=O)[O-])ccc2OC(C)C)nc(C)n1 ZINC000853290802 1325076037 /nfs/dbraw/zinc/07/60/37/1325076037.db2.gz KLNWMUKGXNHCDO-UHFFFAOYSA-N -1 0 342.399 3.415 20 30 EGEDRM C[C@H]1C[C@@H](C(=O)[O-])CCC1=NNCc1ccc(Br)cc1 ZINC000853384557 1325087321 /nfs/dbraw/zinc/08/73/21/1325087321.db2.gz LSQNWQZRIXUBPK-JQWIXIFHSA-N -1 0 339.233 3.416 20 30 EGEDRM C#CC[C@@H](NC(=O)N1CCC[C@]1(CCC)C(=O)[O-])c1ccccc1 ZINC000929033621 1328493348 /nfs/dbraw/zinc/49/33/48/1328493348.db2.gz MOPZKEJKWPHIFC-VQIMIIECSA-N -1 0 328.412 3.180 20 30 EGEDRM CC(C)(C)OC(=O)N[C@H]1CCC(N=Nc2ccc(CC(=O)[O-])cc2)C1 ZINC000863126484 1329530023 /nfs/dbraw/zinc/53/00/23/1329530023.db2.gz JUAKLZQKBBQCTN-AWEZNQCLSA-N -1 0 347.415 3.159 20 30 EGEDRM O=C([O-])c1cc(NN=Cc2ccc(-n3cncn3)cc2)ccc1Cl ZINC000863950852 1329591476 /nfs/dbraw/zinc/59/14/76/1329591476.db2.gz RKDWQQHNIFSWSQ-UHFFFAOYSA-N -1 0 341.758 3.065 20 30 EGEDRM Cc1cc(/C=C\C(=O)c2cc(C(=O)[O-])ccc2OC(C)C)nn1C ZINC000864086168 1329596824 /nfs/dbraw/zinc/59/68/24/1329596824.db2.gz CIXJIAYLQNEOPZ-SREVYHEPSA-N -1 0 328.368 3.110 20 30 EGEDRM CCn1nc(C)c(C(=O)/C=C/c2ccc(OC)c(C(=O)[O-])c2)c1C ZINC000865216639 1329676605 /nfs/dbraw/zinc/67/66/05/1329676605.db2.gz DUTQFHFONMBGNV-SOFGYWHQSA-N -1 0 328.368 3.123 20 30 EGEDRM CN(C)c1cccc(Cl)c1C=Nn1c(=S)[n-]nc1C(F)(F)F ZINC001323154394 1387303928 /nfs/dbraw/zinc/30/39/28/1387303928.db2.gz JPYWPXPZZFXKTD-UHFFFAOYSA-N -1 0 349.769 3.187 20 30 EGEDRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C#N)s2)c1 ZINC001189586281 1367062113 /nfs/dbraw/zinc/06/21/13/1367062113.db2.gz QYVXIULBJQOXNX-UHFFFAOYSA-N -1 0 328.802 3.083 20 30 EGEDRM COC(=O)c1ccc(C(=O)Nc2cc(C#N)c(F)cc2[O-])cc1Cl ZINC001189625393 1367071976 /nfs/dbraw/zinc/07/19/76/1367071976.db2.gz MZAWXICTFSDCMQ-UHFFFAOYSA-N -1 0 348.717 3.095 20 30 EGEDRM Cc1noc(NC(=O)c2cc(OC(F)(F)F)ccc2F)c1C#N ZINC001190658901 1367321084 /nfs/dbraw/zinc/32/10/84/1367321084.db2.gz ZLNGUSFIXBUMGW-UHFFFAOYSA-N -1 0 329.209 3.145 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]c2cc(-c3ccc(OC)cc3)no2)CC1 ZINC001190766381 1367345461 /nfs/dbraw/zinc/34/54/61/1367345461.db2.gz RNUNKEFNWZMXPO-UHFFFAOYSA-N -1 0 334.397 3.201 20 30 EGEDRM Cc1c(C)c([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)ccc1O ZINC001190969794 1367391585 /nfs/dbraw/zinc/39/15/85/1367391585.db2.gz MPMQKBQRHDKDFC-UHFFFAOYSA-N -1 0 336.800 3.335 20 30 EGEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(F)ccc2C#N)c1 ZINC001190969919 1367391596 /nfs/dbraw/zinc/39/15/96/1367391596.db2.gz SHJRUBYKLRVZTG-UHFFFAOYSA-N -1 0 335.747 3.023 20 30 EGEDRM CCCCCCCNC(=O)Nc1cc(S(=O)(=O)CC)ccc1[O-] ZINC001191081783 1367420832 /nfs/dbraw/zinc/42/08/32/1367420832.db2.gz ZJTZPUGQAFKQOS-UHFFFAOYSA-N -1 0 342.461 3.278 20 30 EGEDRM Cc1coc([N-]S(=O)(=O)c2cccc3cc(C)cnc32)c1C#N ZINC001191158107 1367435955 /nfs/dbraw/zinc/43/59/55/1367435955.db2.gz UTNMMJODRNVZFO-UHFFFAOYSA-N -1 0 327.365 3.117 20 30 EGEDRM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1occ(C)c1C#N ZINC001191671313 1367558569 /nfs/dbraw/zinc/55/85/69/1367558569.db2.gz QKLAWDLSBGQELL-UHFFFAOYSA-N -1 0 334.397 3.393 20 30 EGEDRM CCCCCCCCCCCCNC(=O)NCC[P@@](=O)([O-])O ZINC001191860788 1367618239 /nfs/dbraw/zinc/61/82/39/1367618239.db2.gz WJOLCPBZGPJQPJ-UHFFFAOYSA-N -1 0 336.413 3.384 20 30 EGEDRM N#Cc1cc(NC(=O)c2nc(C(F)(F)F)cs2)c([O-])cc1F ZINC001192457490 1367787170 /nfs/dbraw/zinc/78/71/70/1367787170.db2.gz DMSGKPRARGUTTQ-UHFFFAOYSA-N -1 0 331.250 3.131 20 30 EGEDRM N#Cc1nc2ccc(NC(=O)c3c(F)ccc(F)c3[O-])cc2s1 ZINC001192706357 1367856894 /nfs/dbraw/zinc/85/68/94/1367856894.db2.gz IYOSEHDPOCHFHJ-UHFFFAOYSA-N -1 0 331.303 3.404 20 30 EGEDRM N#CCS(=O)(=O)[N-]c1c(Cl)cc(Cl)cc1C(F)(F)F ZINC001192929592 1367906666 /nfs/dbraw/zinc/90/66/66/1367906666.db2.gz ZFUJYELZPDRTDT-UHFFFAOYSA-N -1 0 333.118 3.277 20 30 EGEDRM CC(C)(C)c1ccccc1Oc1ncccc1[N-]S(=O)(=O)CC#N ZINC001192943251 1367907992 /nfs/dbraw/zinc/90/79/92/1367907992.db2.gz MLFVYFAYJVZDBP-UHFFFAOYSA-N -1 0 345.424 3.437 20 30 EGEDRM C[C@H](C#N)S(=O)(=O)[N-]c1cc(F)cc(OCc2ccccc2)c1 ZINC001193149128 1367954563 /nfs/dbraw/zinc/95/45/63/1367954563.db2.gz MKRQPUIZCIKBLO-GFCCVEGCSA-N -1 0 334.372 3.058 20 30 EGEDRM N#Cc1cc(C(=O)N2CCn3cccc3[C@@H]2c2ccccc2)ccc1[O-] ZINC001193495103 1368045998 /nfs/dbraw/zinc/04/59/98/1368045998.db2.gz WVZCKPSWKLBROO-FQEVSTJZSA-N -1 0 343.386 3.311 20 30 EGEDRM COc1ccc(CNC(=O)c2ccc([O-])c(C#N)c2)c2ccccc12 ZINC001193515960 1368051528 /nfs/dbraw/zinc/05/15/28/1368051528.db2.gz VYPHSDYDHFYBOH-UHFFFAOYSA-N -1 0 332.359 3.356 20 30 EGEDRM N#Cc1cccc(C(=O)N2CCC3(CC(OCC4CC4)C3)CC2)c1[O-] ZINC001193643870 1368082753 /nfs/dbraw/zinc/08/27/53/1368082753.db2.gz GGKINDBUZUPXIN-UHFFFAOYSA-N -1 0 340.423 3.075 20 30 EGEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2ccccc2OC(C)C)c1 ZINC001193680356 1368092889 /nfs/dbraw/zinc/09/28/89/1368092889.db2.gz JTCCKXNORQBIFR-UHFFFAOYSA-N -1 0 346.408 3.155 20 30 EGEDRM Cc1nc(C#N)c([N-]S(=O)(=O)c2ccc(-c3cccs3)cc2)o1 ZINC001194145855 1368191898 /nfs/dbraw/zinc/19/18/98/1368191898.db2.gz MWZWBIHJNABNJM-UHFFFAOYSA-N -1 0 345.405 3.384 20 30 EGEDRM Cc1cc(Cl)nc([N-]S(=O)(=O)c2c(C)cccc2C)c1C#N ZINC001194616235 1368297799 /nfs/dbraw/zinc/29/77/99/1368297799.db2.gz QMOULJYQIKXRMB-UHFFFAOYSA-N -1 0 335.816 3.333 20 30 EGEDRM Cc1[nH]c(NC(=O)c2c([O-])c(F)c(F)c(F)c2F)c(C#N)c1C ZINC001195280127 1368414006 /nfs/dbraw/zinc/41/40/06/1368414006.db2.gz YTJXKNPOPGDTEU-UHFFFAOYSA-N -1 0 327.237 3.018 20 30 EGEDRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1ccc(C#N)cc1C#N ZINC001195315570 1368419670 /nfs/dbraw/zinc/41/96/70/1368419670.db2.gz DYDGRWXVDZSWBQ-UHFFFAOYSA-N -1 0 331.784 3.193 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2ccc(Oc3cc[nH]c(=O)c3)cc2)c([O-])c1 ZINC001195758289 1368483711 /nfs/dbraw/zinc/48/37/11/1368483711.db2.gz MLINEFORIIAUOE-UHFFFAOYSA-N -1 0 347.330 3.409 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(C#N)sc3c2)c(F)c1 ZINC001196382889 1368603496 /nfs/dbraw/zinc/60/34/96/1368603496.db2.gz JDPWWORKCWPCNA-UHFFFAOYSA-N -1 0 347.396 3.416 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c3ncccc23)c(F)c1 ZINC001196387370 1368604599 /nfs/dbraw/zinc/60/45/99/1368604599.db2.gz OESIYGBAPCDLKT-UHFFFAOYSA-N -1 0 341.367 3.355 20 30 EGEDRM N#Cc1cc([N-]S(=O)(=O)c2csc3ccccc32)c(O)cc1F ZINC001186497909 1387955474 /nfs/dbraw/zinc/95/54/74/1387955474.db2.gz KEXUYBWKMJIROH-UHFFFAOYSA-N -1 0 348.380 3.418 20 30 EGEDRM N#Cc1ccc(-c2ccc(C(=O)[N-]c3noc4nccnc34)o2)cc1 ZINC001197387939 1368804064 /nfs/dbraw/zinc/80/40/64/1368804064.db2.gz QNXUBRRSAWVWTD-UHFFFAOYSA-N -1 0 331.291 3.002 20 30 EGEDRM CCOC(=O)c1ccc(NC(=S)Nc2cc(C#N)ccc2[O-])cc1 ZINC001199041897 1369173897 /nfs/dbraw/zinc/17/38/97/1369173897.db2.gz AEQMOCCQEYEXII-UHFFFAOYSA-N -1 0 341.392 3.249 20 30 EGEDRM N#Cc1cnnc(-c2ccccc2)c1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199818915 1369277187 /nfs/dbraw/zinc/27/71/87/1369277187.db2.gz GYPYSKGUTGOKLJ-UHFFFAOYSA-N -1 0 333.307 3.373 20 30 EGEDRM C#Cc1ccc([N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2F)cn1 ZINC001201254469 1369505645 /nfs/dbraw/zinc/50/56/45/1369505645.db2.gz VGENGKWMGATESL-UHFFFAOYSA-N -1 0 345.182 3.310 20 30 EGEDRM O=C1C=C([N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2F)CCC1 ZINC001201277933 1369508883 /nfs/dbraw/zinc/50/88/83/1369508883.db2.gz ORWTYYZGNJULGJ-UHFFFAOYSA-N -1 0 338.187 3.048 20 30 EGEDRM Cc1nc(Cl)sc1S(=O)(=O)[N-]c1c(Cl)cccc1C#N ZINC001201760098 1369618125 /nfs/dbraw/zinc/61/81/25/1369618125.db2.gz AOLQJMYVZUDBLA-UHFFFAOYSA-N -1 0 348.236 3.431 20 30 EGEDRM C[C@H](C#N)N(C)Cc1cc(Br)cc(Br)c1[O-] ZINC001203572107 1370174564 /nfs/dbraw/zinc/17/45/64/1370174564.db2.gz VYNJUPDPBALBLO-SSDOTTSWSA-N -1 0 348.038 3.261 20 30 EGEDRM C=C(Cl)CNS(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC001187147888 1388058954 /nfs/dbraw/zinc/05/89/54/1388058954.db2.gz UTFXUNBWXOXZOR-UHFFFAOYSA-N -1 0 345.045 3.133 20 30 EGEDRM O=C(CCc1nc(-c2cncc(Br)c2)no1)C1=CC=C[CH]1 ZINC001204656734 1370537921 /nfs/dbraw/zinc/53/79/21/1370537921.db2.gz QBHZRPXSDBCYIV-UHFFFAOYSA-N -1 0 345.176 3.096 20 30 EGEDRM COc1cc(F)c(F)cc1-c1noc(CCC(=O)C2=CC=C[CH]2)n1 ZINC001204656974 1370538581 /nfs/dbraw/zinc/53/85/81/1370538581.db2.gz WWVWTFIYPLOAIG-UHFFFAOYSA-N -1 0 331.298 3.226 20 30 EGEDRM COc1cc(C(F)(F)F)c(C#N)c(-c2csc(C(=O)[O-])c2)n1 ZINC001206256974 1371005471 /nfs/dbraw/zinc/00/54/71/1371005471.db2.gz PPHXXXHOUQEYFI-UHFFFAOYSA-N -1 0 328.271 3.407 20 30 EGEDRM CC(C)(C)OC(=O)[C@H](C#N)c1cccc(-c2csc(C(=O)[O-])c2)n1 ZINC001206257102 1371005875 /nfs/dbraw/zinc/00/58/75/1371005875.db2.gz QPEFBSXZHCKDLF-LLVKDONJSA-N -1 0 344.392 3.457 20 30 EGEDRM C=CCC[C@@H](NC(=O)N[C@H](C)c1ccc(Cl)c(F)c1)C(=O)[O-] ZINC001117851294 1371101484 /nfs/dbraw/zinc/10/14/84/1371101484.db2.gz BXTUTGRDSANBOV-NOZJJQNGSA-N -1 0 328.771 3.259 20 30 EGEDRM C=CCC[C@@H](NC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-])c1ccccc1 ZINC001119714428 1371392786 /nfs/dbraw/zinc/39/27/86/1371392786.db2.gz AJCGQPCADNUIEF-ZIAGYGMSSA-N -1 0 338.354 3.198 20 30 EGEDRM COC(=O)c1sc(Nc2cc(F)cc(C(=O)[O-])c2)c(C#N)c1C ZINC001209886360 1372223047 /nfs/dbraw/zinc/22/30/47/1372223047.db2.gz QAVAXUOCXDVWKV-UHFFFAOYSA-N -1 0 334.328 3.296 20 30 EGEDRM N#Cc1c(Cl)c(Cl)ccc1[N-]S(=O)(=O)c1nccs1 ZINC001187900159 1388186539 /nfs/dbraw/zinc/18/65/39/1388186539.db2.gz LBSDNYTYOJJECY-UHFFFAOYSA-N -1 0 334.209 3.122 20 30 EGEDRM N#CC(=C([O-])c1cnc2ccsc2c1)c1nc(N)c2ccccc2n1 ZINC001122498019 1372260922 /nfs/dbraw/zinc/26/09/22/1372260922.db2.gz JZSUALBAGZTWHR-GFCCVEGCSA-N -1 0 345.387 3.312 20 30 EGEDRM N#Cc1cnnc(-c2ccccc2)c1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210396209 1372340944 /nfs/dbraw/zinc/34/09/44/1372340944.db2.gz NMEJULQAPWZUMQ-UHFFFAOYSA-N -1 0 333.307 3.373 20 30 EGEDRM CCCCCCCCS(=O)(=O)[N-]c1cnn2ccc(Cl)nc12 ZINC001187994082 1388207977 /nfs/dbraw/zinc/20/79/77/1388207977.db2.gz COMZCDAGZJJILO-UHFFFAOYSA-N -1 0 344.868 3.485 20 30 EGEDRM COC(=O)c1sc(Nc2ccc(CCC(=O)[O-])cc2)c(C#N)c1C ZINC001213621378 1372936230 /nfs/dbraw/zinc/93/62/30/1372936230.db2.gz ULQASJQHOWPXPE-UHFFFAOYSA-N -1 0 344.392 3.476 20 30 EGEDRM COc1ccc(Nc2cc(S(=O)(=O)[O-])ccc2Cl)cc1C#N ZINC001215004330 1373154483 /nfs/dbraw/zinc/15/44/83/1373154483.db2.gz BJOHNBBEVJDJLI-UHFFFAOYSA-N -1 0 338.772 3.211 20 30 EGEDRM COc1ccc(Nc2ccc(Cl)cc2S(=O)(=O)[O-])cc1C#N ZINC001215002914 1373154864 /nfs/dbraw/zinc/15/48/64/1373154864.db2.gz YYEVNCOKIXJCIA-UHFFFAOYSA-N -1 0 338.772 3.211 20 30 EGEDRM Cc1c(Cl)c(-n2nc(C#N)c3cc(N)ccc32)ccc1C(=O)[O-] ZINC001215694189 1373232449 /nfs/dbraw/zinc/23/24/49/1373232449.db2.gz RFHYKSJNCAUDET-UHFFFAOYSA-N -1 0 326.743 3.139 20 30 EGEDRM COc1cc(OC)c(C2OCCO2)cc1Nc1scc([O-])c1C#N ZINC001216541330 1373315040 /nfs/dbraw/zinc/31/50/40/1373315040.db2.gz OGYFYSNIIRDWJV-UHFFFAOYSA-N -1 0 348.380 3.132 20 30 EGEDRM COc1cc(F)c(-c2noc(-c3cccc(C#N)c3[O-])n2)cc1F ZINC001216979745 1373374858 /nfs/dbraw/zinc/37/48/58/1373374858.db2.gz HVPYOQNVIIAERR-UHFFFAOYSA-N -1 0 329.262 3.268 20 30 EGEDRM CCc1cccnc1-c1noc(-c2cc(=O)c3cc(C#N)ccc3[n-]2)n1 ZINC001217502539 1373456154 /nfs/dbraw/zinc/45/61/54/1373456154.db2.gz NBZCWNBDRHFBCM-UHFFFAOYSA-N -1 0 343.346 3.074 20 30 EGEDRM C=C[C@]1(C)CC[C@H](C(C)(C)Oc2nc(C(F)(F)F)cc(=O)[n-]2)O1 ZINC001225980928 1375182857 /nfs/dbraw/zinc/18/28/57/1375182857.db2.gz RWFXIULHRDWLJO-QMTHXVAHSA-N -1 0 332.322 3.482 20 30 EGEDRM N#Cc1cc(F)c(=O)[n-]c1O[C@H]1CC[C@H](OCc2ccccc2)C1 ZINC001226016393 1375190499 /nfs/dbraw/zinc/19/04/99/1375190499.db2.gz SVHJFNSHBDPIPF-GJZGRUSLSA-N -1 0 328.343 3.315 20 30 EGEDRM CO[C@@H](COc1[n-]c(=O)cc(C(F)(F)F)c1C#N)c1ccccc1 ZINC001226064644 1375198516 /nfs/dbraw/zinc/19/85/16/1375198516.db2.gz OEJKXIPSRNOURW-ZDUSSCGKSA-N -1 0 338.285 3.444 20 30 EGEDRM O=[N+]([O-])c1ccccc1N1CC[C@H](Oc2cccc(/C=N/O)c2)C1 ZINC001226116865 1375206692 /nfs/dbraw/zinc/20/66/92/1375206692.db2.gz WCQPLVFCPLTCDM-LZNAANCOSA-N -1 0 327.340 3.061 20 30 EGEDRM C=C[C@@]1(C)CC[C@H](Oc2ccc(-n3nn[n-]c3=S)cc2)C(C)(C)O1 ZINC001228438906 1375571251 /nfs/dbraw/zinc/57/12/51/1375571251.db2.gz RPMZIYSPDNKHLC-YOEHRIQHSA-N -1 0 346.456 3.232 20 30 EGEDRM COC(=O)c1cc([N+](=O)[O-])c(O[C@@H](C)c2ccccc2C#N)cc1[O-] ZINC001228813616 1375686692 /nfs/dbraw/zinc/68/66/92/1375686692.db2.gz DPJSRRZPIXEUPV-JTQLQIEISA-N -1 0 342.307 3.099 20 30 EGEDRM C=C[C@@H](CC(=O)OC(C)(C)C)Oc1[n-]c(=O)nc2cccc(OC)c21 ZINC001229239280 1375792573 /nfs/dbraw/zinc/79/25/73/1375792573.db2.gz MNLSJBSADHPUDO-NSHDSACASA-N -1 0 346.383 3.009 20 30 EGEDRM N#Cc1cc(Cc2ccccc2)sc1[N-]S(=O)(=O)CC1CC1 ZINC001188930009 1388411972 /nfs/dbraw/zinc/41/19/72/1388411972.db2.gz USFQUFZZBHKCPS-UHFFFAOYSA-N -1 0 332.450 3.362 20 30 EGEDRM COc1cc(/C=N/O)ccc1O[C@@H]1C=CCN(C(=O)OC(C)(C)C)C1 ZINC001233802522 1376719604 /nfs/dbraw/zinc/71/96/04/1376719604.db2.gz HCSYIBACEXZGQP-HIPSJFSSSA-N -1 0 348.399 3.058 20 30 EGEDRM Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(-c2cncc(C(=O)[O-])c2)n1 ZINC001241802644 1377020418 /nfs/dbraw/zinc/02/04/18/1377020418.db2.gz IJOHYROIPCKCNN-YWZLFBJRSA-N -1 0 345.424 3.031 20 30 EGEDRM CC(=O)c1cccc(S(=O)(=O)[N-]c2c(C#N)oc3ccccc32)c1 ZINC001189199779 1388482268 /nfs/dbraw/zinc/48/22/68/1388482268.db2.gz AZUYARYZRWQPAJ-UHFFFAOYSA-N -1 0 340.360 3.308 20 30 EGEDRM CC1(C)CC(=O)C=C(NC(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC001148798828 1379270422 /nfs/dbraw/zinc/27/04/22/1379270422.db2.gz FVBDTXBMNUFLOW-UHFFFAOYSA-N -1 0 327.302 3.414 20 30 EGEDRM N#Cc1cc2cccnc2nc1NC(=O)c1ccc2cccnc2c1[O-] ZINC001149314560 1379362970 /nfs/dbraw/zinc/36/29/70/1379362970.db2.gz JCSQILDINPULKE-UHFFFAOYSA-N -1 0 341.330 3.008 20 30 EGEDRM C=CC[C@@H](NC(=O)[C@H](CC)Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001327984093 1388639068 /nfs/dbraw/zinc/63/90/68/1388639068.db2.gz BMTDHQDKRWZRJP-TZMCWYRMSA-N -1 0 343.345 3.420 20 30 EGEDRM Cc1cnc(Cl)c(NC(=O)c2cc(=O)c3cc(C#N)ccc3[n-]2)c1 ZINC001154552205 1380304721 /nfs/dbraw/zinc/30/47/21/1380304721.db2.gz MLNYIHDADTXLRE-UHFFFAOYSA-N -1 0 338.754 3.009 20 30 EGEDRM Cc1c(=O)[n-]n(-c2ccccc2)c1Nc1ccc2c(C#N)c[nH]c2n1 ZINC001163111127 1382968623 /nfs/dbraw/zinc/96/86/23/1382968623.db2.gz PFIKSACUOBAPHV-UHFFFAOYSA-N -1 0 330.351 3.378 20 30 EGEDRM CCC1(C[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)CCCC1 ZINC001309313645 1384177117 /nfs/dbraw/zinc/17/71/17/1384177117.db2.gz WAWQMRRUNXCSRP-UHFFFAOYSA-N -1 0 328.384 3.085 20 30 EGEDRM COC(=O)c1scc(C#N)c1Nc1cccc(/C=C/C(=O)[O-])c1 ZINC001174494448 1385113797 /nfs/dbraw/zinc/11/37/97/1385113797.db2.gz DPMGPUZCQZFDQJ-AATRIKPKSA-N -1 0 328.349 3.248 20 30 EGEDRM Cc1ccc(C(=O)[O-])cc1Nc1cc(Br)cnc1C#N ZINC001174981058 1385178376 /nfs/dbraw/zinc/17/83/76/1385178376.db2.gz BZVBCLFSIHINTL-UHFFFAOYSA-N -1 0 332.157 3.466 20 30 EGEDRM COC(=O)c1cc(C#N)cc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)c1 ZINC001176591226 1385635171 /nfs/dbraw/zinc/63/51/71/1385635171.db2.gz USGGEWIAZAHRAP-UHFFFAOYSA-N -1 0 336.347 3.205 20 30 EGEDRM N#Cc1oc2ccccc2c1NC(=O)CSc1n[n-]c(=S)s1 ZINC001177337714 1385918984 /nfs/dbraw/zinc/91/89/84/1385918984.db2.gz SHDXPINFHBWVTR-UHFFFAOYSA-N -1 0 348.434 3.175 20 30 EGEDRM CC(C)(C)ON=Cc1cc(Br)ccc1OCC(=O)[O-] ZINC001320326048 1386576314 /nfs/dbraw/zinc/57/63/14/1386576314.db2.gz WOIHZQKTITVXIL-UHFFFAOYSA-N -1 0 330.178 3.062 20 30 EGEDRM N#Cc1nc(NC(=O)c2ccc(-c3cccs3)s2)[n-]c1C#N ZINC001320886840 1386748049 /nfs/dbraw/zinc/74/80/49/1386748049.db2.gz XDXGXHFHXXXBIV-UHFFFAOYSA-N -1 0 325.378 3.195 20 30 EGEDRM C=CC[C@@H](NC(=O)c1cc(C2CC2)nc2c(C)cc(C)cc12)C(=O)[O-] ZINC001321166364 1386828277 /nfs/dbraw/zinc/82/82/77/1386828277.db2.gz CUXFTJQXOGIOCX-MRXNPFEDSA-N -1 0 338.407 3.488 20 30 EGEDRM C=CC[C@H](NC(=O)Nc1ccc(OC(F)F)c(Cl)c1)C(=O)[O-] ZINC001321276918 1386864325 /nfs/dbraw/zinc/86/43/25/1386864325.db2.gz LJYMLCCSZRYZBQ-VIFPVBQESA-N -1 0 334.706 3.092 20 30 EGEDRM C[C@@H](CC(=O)c1ccccc1)C(=O)Nc1cc(C#N)c(F)cc1[O-] ZINC001182166608 1387115542 /nfs/dbraw/zinc/11/55/42/1387115542.db2.gz FWHDXQKYCDHZSS-NSHDSACASA-N -1 0 326.327 3.251 20 30 EGEDRM N#Cc1ccc(NC(=O)C2(O)c3ccccc3-c3ccccc32)c(O)c1 ZINC001182858833 1387235530 /nfs/dbraw/zinc/23/55/30/1387235530.db2.gz PNQXNPQZEMNBES-UHFFFAOYSA-N -1 0 342.354 3.119 20 30 EGEDRM C=CCC[C@@H]1CCCN1C(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC001336239230 1389043883 /nfs/dbraw/zinc/04/38/83/1389043883.db2.gz VNJIBHKVGLULHT-CYBMUJFWSA-N -1 0 329.375 3.288 20 30 EGEDRM C=CCC[C@@H]([NH2+]Cc1cc(Cl)cc(Br)c1[O-])C(=O)[O-] ZINC001339241884 1389954996 /nfs/dbraw/zinc/95/49/96/1389954996.db2.gz VXWQFVYLOOBCHP-LLVKDONJSA-N -1 0 348.624 3.317 20 30 EGEDRM CN(C)Cc1cnc(/C=C2\C[C@@H](C(=O)[O-])c3ccccc3C2=O)s1 ZINC001332399355 1390106265 /nfs/dbraw/zinc/10/62/65/1390106265.db2.gz FGBGYRYHHZRJHV-KUCQQTCKSA-N -1 0 342.420 3.043 20 30 EGEDRM CCn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N(C)[C@@H](C)c1ccccc1 ZINC001342641282 1390635243 /nfs/dbraw/zinc/63/52/43/1390635243.db2.gz KNOKUJROOUDMFU-ZDUSSCGKSA-N -1 0 348.410 3.135 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)c2c[nH]c(C(F)(F)F)c2)cc1Cl ZINC001343588258 1390724605 /nfs/dbraw/zinc/72/46/05/1390724605.db2.gz PTNXRXBBYAHSHH-UHFFFAOYSA-N -1 0 349.721 3.359 20 30 EGEDRM C=CC[C@@H](NC(=O)[C@H](CC)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC001344553858 1390799186 /nfs/dbraw/zinc/79/91/86/1390799186.db2.gz VNBFLHHLJWLKEJ-CHWSQXEVSA-N -1 0 329.318 3.345 20 30 EGEDRM Cc1coc(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)c1C ZINC001344800748 1390815668 /nfs/dbraw/zinc/81/56/68/1390815668.db2.gz GXSBZIXZIFHLAP-AWEZNQCLSA-N -1 0 330.771 3.189 20 30 EGEDRM CCO[C@@H](C)c1ncc(C([O-])=C(C#N)c2ncc(Cl)n2C)s1 ZINC001346095576 1390907123 /nfs/dbraw/zinc/90/71/23/1390907123.db2.gz GOUIEAVOUOEDST-DTWKUNHWSA-N -1 0 338.820 3.118 20 30 EGEDRM Cn1ncc(C([O-])=C(C#N)c2cccc(F)n2)c1Cc1ccccc1 ZINC001347173386 1391017996 /nfs/dbraw/zinc/01/79/96/1391017996.db2.gz ZAUNZJFXUURGKG-CQSZACIVSA-N -1 0 334.354 3.035 20 30 EGEDRM Clc1cnc(N=NCc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000826354050 1426776817 /nfs/dbraw/zinc/77/68/17/1426776817.db2.gz NYWXMSBFFPIJJZ-UHFFFAOYSA-N -1 0 334.170 3.015 20 30 EGEDRM C[C@H]1CCC[C@@H](CCSc2nc(N)c(C#N)cc2-c2nn[n-]n2)C1 ZINC000820697683 1428270874 /nfs/dbraw/zinc/27/08/74/1428270874.db2.gz KJGHIWGUAHHNDQ-QWRGUYRKSA-N -1 0 343.460 3.024 20 30 EGEDRM Cc1ccc(C=NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)o1 ZINC000737330873 1428853992 /nfs/dbraw/zinc/85/39/92/1428853992.db2.gz TVEVXJJODNOTEW-UHFFFAOYSA-N -1 0 336.277 3.233 20 30 EGEDRM Cc1cc(C)cc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)c1 ZINC000737251198 1429038230 /nfs/dbraw/zinc/03/82/30/1429038230.db2.gz BYZKIIBBWFEPMI-SNAWJCMRSA-N -1 0 344.378 3.027 20 30 EGEDRM Fc1cc(C=NNc2ccc(-c3nn[n-]n3)cc2)c2ncccc2c1 ZINC000822748167 1429554582 /nfs/dbraw/zinc/55/45/82/1429554582.db2.gz LAAKYPGRZUHSKT-UHFFFAOYSA-N -1 0 333.330 3.000 20 30 EGEDRM COc1ccc(Cl)cc1C=CC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000826208624 1425213098 /nfs/dbraw/zinc/21/30/98/1425213098.db2.gz SJHPRPBNSCXOJB-RQOWECAXSA-N -1 0 346.799 3.486 20 30 EGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1CCC(C)(C)C1 ZINC000823910113 1425873456 /nfs/dbraw/zinc/87/34/56/1425873456.db2.gz XODNYNFOQSQSLU-INIZCTEOSA-N -1 0 339.443 3.208 20 30 EGEDRM COc1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc1 ZINC000821786857 1426784112 /nfs/dbraw/zinc/78/41/12/1426784112.db2.gz KPGICEHCBDQJRD-UVTDQMKNSA-N -1 0 332.363 3.088 20 30 EGEDRM C[C@H]1c2c(c(O)ccc2F)C(=O)C1=Cc1ccccc1-c1nn[n-]n1 ZINC000824860738 1426944678 /nfs/dbraw/zinc/94/46/78/1426944678.db2.gz XLDPLHHBKFNNBQ-YXYQAXARSA-N -1 0 336.326 3.095 20 30 EGEDRM CCO[C@H]1CC(N=Nc2ccc(-c3nn[n-]n3)cc2)C12CCCC2 ZINC000821351853 1427549992 /nfs/dbraw/zinc/54/99/92/1427549992.db2.gz VQNYGVZRCXOLIM-HNNXBMFYSA-N -1 0 326.404 3.004 20 30 EGEDRM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ccc(OC(F)F)cc1 ZINC000822922170 1428056102 /nfs/dbraw/zinc/05/61/02/1428056102.db2.gz COAAEXZKGKIBGL-AATRIKPKSA-N -1 0 348.334 3.426 20 30 EGEDRM C=CC1CCN(c2c(-c3nn[n-]n3)cnc3c(C)cc(F)cc32)CC1 ZINC000819729147 1429873072 /nfs/dbraw/zinc/87/30/72/1429873072.db2.gz DLAYQKVBAFGDKE-UHFFFAOYSA-N -1 0 338.390 3.265 20 30 EGEDRM C[C@@H]1CCC[C@@H](CN=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)C1 ZINC000824928210 1429915837 /nfs/dbraw/zinc/91/58/37/1429915837.db2.gz SIKXXKLZMDRTFA-GHMZBOCLSA-N -1 0 331.424 3.376 20 30 EGEDRM N#Cc1ccc(CN(Cc2cccc(-c3nn[n-]n3)c2F)C2CC2)cc1 ZINC000826385123 1441467401 /nfs/dbraw/zinc/46/74/01/1441467401.db2.gz YEPKFHXZHNCMBX-UHFFFAOYSA-N -1 0 348.385 3.042 20 30 EGEDRM CCOc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000825649033 1441519846 /nfs/dbraw/zinc/51/98/46/1441519846.db2.gz JTXCZOFWIHGOBS-RMKNXTFCSA-N -1 0 338.342 3.301 20 30 EGEDRM Fc1ccccc1C1CC(=NNCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000822792449 1441983097 /nfs/dbraw/zinc/98/30/97/1441983097.db2.gz WWGWHJVRKUZASZ-UHFFFAOYSA-N -1 0 336.374 3.029 20 30 EGEDRM C[C@H](C=NNCc1ccc(-c2nn[n-]n2)cc1)CCc1ccccc1 ZINC000820220851 1442232734 /nfs/dbraw/zinc/23/27/34/1442232734.db2.gz YKARUEOUEDYIAQ-HNNXBMFYSA-N -1 0 334.427 3.211 20 30 EGEDRM CC(=NNCc1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823953668 1443869599 /nfs/dbraw/zinc/86/95/99/1443869599.db2.gz KYBXQXQXBFXBJL-UHFFFAOYSA-N -1 0 344.781 3.173 20 30 EGEDRM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2coc3ccccc23)o1 ZINC000824352854 1443869949 /nfs/dbraw/zinc/86/99/49/1443869949.db2.gz PWTRGIZDKAOCBS-UHFFFAOYSA-N -1 0 337.343 3.170 20 30 EGEDRM Fc1cc(NN=Cc2ccc(-c3nn[n-]n3)cc2F)ccc1Cl ZINC000822753229 1446541497 /nfs/dbraw/zinc/54/14/97/1446541497.db2.gz JRPSCLURGOUPFV-UHFFFAOYSA-N -1 0 334.717 3.244 20 30 EGEDRM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NCCCC(C)(C)C#N ZINC000820154901 1446592922 /nfs/dbraw/zinc/59/29/22/1446592922.db2.gz CCHZEDMGWKYXFD-UHFFFAOYSA-N -1 0 328.420 3.396 20 30 EGEDRM CC(=NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccccc1O ZINC000823958433 1446915582 /nfs/dbraw/zinc/91/55/82/1446915582.db2.gz NDPVXVFGPCKRMN-UHFFFAOYSA-N -1 0 328.763 3.062 20 30 EGEDRM CC(C)Cc1nc(-c2nnn[n-]2)c(N=NC[C@@H]2CCCC[C@@H]2C)o1 ZINC000824280639 946645005 /nfs/dbraw/zinc/64/50/05/946645005.db2.gz RQEJOTFDMHRLFA-RYUDHWBXSA-N -1 0 331.424 3.277 20 30 EGEDRM CCCC1CCC(C=Nn2c(C)cc(C)c(-c3nnn[n-]3)c2=O)CC1 ZINC000825255321 947133362 /nfs/dbraw/zinc/13/33/62/947133362.db2.gz XBEGJXGHYYZZFB-UHFFFAOYSA-N -1 0 342.447 3.086 20 30 EGEDRM CCCC[C@H](ON=C(C)C)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001589640097 949680004 /nfs/dbraw/zinc/68/00/04/949680004.db2.gz ZGPGSXFVYUYGAB-GJZGRUSLSA-N -1 0 326.437 3.061 20 30 EGEDRM C[C@@H]1CCc2sc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])c(C#N)c2[C@H]1C ZINC001589365129 954183965 /nfs/dbraw/zinc/18/39/65/954183965.db2.gz HJFSAPMKFFPDHO-GPHJXTMHSA-N -1 0 345.424 3.249 20 30 EGEDRM N#CCCc1ccc(NC(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)cc1 ZINC001594610435 956203740 /nfs/dbraw/zinc/20/37/40/956203740.db2.gz SVMUYCMWPWPLAN-GOSISDBHSA-N -1 0 349.390 3.359 20 30 EGEDRM N#Cc1cc(NC(=O)NCc2ccccc2C(=O)[O-])ccc1C1CC1 ZINC001594615496 956233839 /nfs/dbraw/zinc/23/38/39/956233839.db2.gz APWOLOWHDOOUKH-UHFFFAOYSA-N -1 0 335.363 3.456 20 30 EGEDRM N#Cc1cc(N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)c([N+](=O)[O-])s1 ZINC001594616730 956244037 /nfs/dbraw/zinc/24/40/37/956244037.db2.gz YTNZCBWRQAMSQX-RYUDHWBXSA-N -1 0 329.337 3.253 20 30 EGEDRM N#Cc1ccc(Oc2cccc(C(=O)Nc3cc(C(=O)[O-])n[nH]3)c2)cc1 ZINC001594625391 956309474 /nfs/dbraw/zinc/30/94/74/956309474.db2.gz OEGISAQEWHZVDK-UHFFFAOYSA-N -1 0 348.318 3.024 20 30 EGEDRM N#Cc1cccc(Br)c1N1CCC(CCC(=O)[O-])CC1 ZINC001594626055 956315151 /nfs/dbraw/zinc/31/51/51/956315151.db2.gz SFQNPRWLXVQAMF-UHFFFAOYSA-N -1 0 337.217 3.402 20 30 EGEDRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1 ZINC001589211787 956696181 /nfs/dbraw/zinc/69/61/81/956696181.db2.gz DHMNLATXJRXDKJ-NHYWBVRUSA-N -1 0 341.194 3.175 20 30 EGEDRM C=CCOc1ccccc1CNC(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001263062509 957282912 /nfs/dbraw/zinc/28/29/12/957282912.db2.gz WHOVAICJBAOIIB-OAHLLOKOSA-N -1 0 346.427 3.038 20 30 EGEDRM C#CCCOc1ccc(C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC001588395269 958040580 /nfs/dbraw/zinc/04/05/80/958040580.db2.gz FBZCRVUBWDVWRK-RBUKOAKNSA-N -1 0 349.386 3.132 20 30 EGEDRM C#CCN(C(=O)NCCCCCC(=O)[O-])[C@@H]1CCCc2ccccc21 ZINC001588395953 958045175 /nfs/dbraw/zinc/04/51/75/958045175.db2.gz MPIGZOSSJPQVHQ-GOSISDBHSA-N -1 0 342.439 3.354 20 30 EGEDRM C=CCn1ncc2ccc(NC(=O)c3coc(/C=C/C(=O)[O-])c3)cc21 ZINC001588474759 958557934 /nfs/dbraw/zinc/55/79/34/958557934.db2.gz PIOMFCWDZIXATQ-AATRIKPKSA-N -1 0 337.335 3.165 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC001588538884 958945752 /nfs/dbraw/zinc/94/57/52/958945752.db2.gz PSPSGKXNCCKIEG-DHSIGJKJSA-N -1 0 348.830 3.487 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1ccc(-c2ccccc2)s1 ZINC001588558386 959085332 /nfs/dbraw/zinc/08/53/32/959085332.db2.gz ROUNTPORKRTPCH-KRWDZBQOSA-N -1 0 328.393 3.036 20 30 EGEDRM CC(C)Oc1ccc(NC(=O)c2coc(/C=C/C(=O)[O-])c2)cc1C#N ZINC001573554886 959250307 /nfs/dbraw/zinc/25/03/07/959250307.db2.gz KLDXRTYQWWQFRY-GQCTYLIASA-N -1 0 340.335 3.289 20 30 EGEDRM Cc1c(C(=O)/C=C/c2ccc(OCC(=O)[O-])cc2)cnn1C(C)C ZINC000188888368 959507579 /nfs/dbraw/zinc/50/75/79/959507579.db2.gz YHXDWOOBAYURRD-RMKNXTFCSA-N -1 0 328.368 3.132 20 30 EGEDRM CC(C)(C)[C@H](C(=O)[O-])C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl ZINC001588636070 959660839 /nfs/dbraw/zinc/66/08/39/959660839.db2.gz UHWACONVBQCVIA-MNOVXSKESA-N -1 0 343.210 3.421 20 30 EGEDRM CCN(Cc1ccc(C(=O)[O-])cc1Br)C[C@H](C)C#N ZINC000226724655 959897057 /nfs/dbraw/zinc/89/70/57/959897057.db2.gz OQWCAAMGYVLHEB-SNVBAGLBSA-N -1 0 325.206 3.129 20 30 EGEDRM CCCCCCCCc1nnc(NC(=O)[C@@H]2CC[C@H]2C(=O)[O-])s1 ZINC001573840215 961063849 /nfs/dbraw/zinc/06/38/49/961063849.db2.gz CHGUGJBNCQSPPO-VXGBXAGGSA-N -1 0 339.461 3.490 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1ccc(Cn2cccc2)cc1)C(=O)[O-] ZINC001333358568 961697356 /nfs/dbraw/zinc/69/73/56/961697356.db2.gz KNFSKGPEVJZQAK-KRWDZBQOSA-N -1 0 326.396 3.076 20 30 EGEDRM O=C([O-])c1ccc(COC(=O)C#Cc2ccc(C(F)(F)F)cc2)cc1 ZINC001574512046 961801237 /nfs/dbraw/zinc/80/12/37/961801237.db2.gz BFYFZFNDMFMUKX-UHFFFAOYSA-N -1 0 348.276 3.499 20 30 EGEDRM CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001588920861 962375236 /nfs/dbraw/zinc/37/52/36/962375236.db2.gz YSTLWMADKIYKEF-UHFFFAOYSA-N -1 0 338.367 3.094 20 30 EGEDRM CC(=NNc1cncc(Br)c1)c1cc(C(=O)[O-])cs1 ZINC001347634514 962428591 /nfs/dbraw/zinc/42/85/91/962428591.db2.gz PTUWDXDOVKZZIE-UHFFFAOYSA-N -1 0 340.202 3.440 20 30 EGEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C ZINC001588936192 962503880 /nfs/dbraw/zinc/50/38/80/962503880.db2.gz MOOLDNOOFBDXIG-TZMCWYRMSA-N -1 0 345.399 3.062 20 30 EGEDRM C#CC[C@H](NC(=O)N1CCc2cc(C(=O)[O-])ccc2C1)c1ccccc1 ZINC001573303456 962676827 /nfs/dbraw/zinc/67/68/27/962676827.db2.gz XQELGRPJVXJYAI-IBGZPJMESA-N -1 0 348.402 3.217 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)c1ccc(Oc2cc(C)ccn2)cc1)C(=O)[O-] ZINC001573323724 962775428 /nfs/dbraw/zinc/77/54/28/962775428.db2.gz FUAIYYHABBYQPI-MRXNPFEDSA-N -1 0 340.379 3.332 20 30 EGEDRM C=C(C)CN(Cc1ccccc1)C(=O)c1cccc(OCC(=O)[O-])c1 ZINC001573327692 962808880 /nfs/dbraw/zinc/80/88/80/962808880.db2.gz TXCSEDJVXCNRDB-UHFFFAOYSA-N -1 0 339.391 3.369 20 30 EGEDRM C=CCCC(=O)Nc1ccc(COC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)cc1 ZINC001573328640 962811046 /nfs/dbraw/zinc/81/10/46/962811046.db2.gz LFVXSODHDWANME-CABCVRRESA-N -1 0 345.395 3.135 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC001573332529 962834725 /nfs/dbraw/zinc/83/47/25/962834725.db2.gz KZGFLIRYZFWNTN-SFHVURJKSA-N -1 0 327.355 3.452 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1nnc(C(C)(C)c2ccccc2)s1 ZINC001573339783 962895136 /nfs/dbraw/zinc/89/51/36/962895136.db2.gz XQYPPXIPWXPPMV-UHFFFAOYSA-N -1 0 345.424 3.224 20 30 EGEDRM C=C[C@H](C(=O)NC[C@H](C(=O)[O-])c1ccc(F)cc1)c1ccccc1 ZINC001573345414 962934269 /nfs/dbraw/zinc/93/42/69/962934269.db2.gz SKGPGUVYMYGUFL-IRXDYDNUSA-N -1 0 327.355 3.080 20 30 EGEDRM C=CC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001573353374 963000931 /nfs/dbraw/zinc/00/09/31/963000931.db2.gz UDNYBBJXBAVZMD-BBRMVZONSA-N -1 0 337.441 3.106 20 30 EGEDRM C=CCCC[C@@H](NC(=O)CCOc1ccc(Cl)c(F)c1)C(=O)[O-] ZINC001573356443 963007854 /nfs/dbraw/zinc/00/78/54/963007854.db2.gz BQAQDMUJJYQTBE-CQSZACIVSA-N -1 0 343.782 3.174 20 30 EGEDRM C#CCCN(CCOC)C(=O)Nc1cccc2cc(C(=O)[O-])sc21 ZINC001588447399 964087068 /nfs/dbraw/zinc/08/70/68/964087068.db2.gz IJGFKEFUQJNTKR-UHFFFAOYSA-N -1 0 346.408 3.103 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC(c2cccc(Cl)c2)CC1 ZINC001609691256 970447984 /nfs/dbraw/zinc/44/79/84/970447984.db2.gz GVWKGHGGQMZNSW-KRWDZBQOSA-N -1 0 334.803 3.051 20 30 EGEDRM CC[C@](C)(C#N)C(=O)Nc1cc(C(=O)[O-])ccc1Br ZINC001610120704 970676753 /nfs/dbraw/zinc/67/67/53/970676753.db2.gz MVKLUICYYHNJMW-CYBMUJFWSA-N -1 0 325.162 3.026 20 30 EGEDRM Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)SCCC(=O)[O-])c1 ZINC001605151724 972838039 /nfs/dbraw/zinc/83/80/39/972838039.db2.gz WLZYAYGKZUUGCM-CQSZACIVSA-N -1 0 334.441 3.147 20 30 EGEDRM N#Cc1cc(F)c(N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)cc1Br ZINC000712991820 977626702 /nfs/dbraw/zinc/62/67/02/977626702.db2.gz BKVOAIFBHCIKMM-ITMYJUKJSA-N -1 0 339.164 3.125 20 30 EGEDRM C[C@@H](CC(=O)[O-])Sc1nc2c(c(C#N)c1C#N)CCCCCC2 ZINC001592424257 978044431 /nfs/dbraw/zinc/04/44/31/978044431.db2.gz OJTGBYWPEKXQRG-NSHDSACASA-N -1 0 329.425 3.439 20 30 EGEDRM COc1cc(NC(C)=O)ccc1C(=O)/C=C/c1ccc(C(=O)[O-])cc1 ZINC000747691473 978686831 /nfs/dbraw/zinc/68/68/31/978686831.db2.gz BJSZXRKPRPMXFA-BJMVGYQFSA-N -1 0 339.347 3.248 20 30 EGEDRM CCC(N=Nc1ccc(C(=O)[O-])cn1)c1ccc(OC)c(OC)c1 ZINC000763371482 978722592 /nfs/dbraw/zinc/72/25/92/978722592.db2.gz BTOIXTBJFDNCME-UHFFFAOYSA-N -1 0 329.356 3.023 20 30 EGEDRM C=CCOc1ccc(/C=C\C(=O)N[C@@](C)(CC)CC(=O)[O-])cc1OC ZINC000767052961 978732213 /nfs/dbraw/zinc/73/22/13/978732213.db2.gz XGTBPDANRLWGAJ-QIBOZCLASA-N -1 0 347.411 3.033 20 30 EGEDRM O=C([O-])c1ccccc1NN=Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000780202220 978784576 /nfs/dbraw/zinc/78/45/76/978784576.db2.gz SUDVPRKTAPYCFW-UHFFFAOYSA-N -1 0 338.342 3.215 20 30 EGEDRM O=C([O-])Cn1cc(CN=Nc2ncccc2Cl)c2ccccc21 ZINC000799876049 978843273 /nfs/dbraw/zinc/84/32/73/978843273.db2.gz JDPWGBIUHUCXIC-UHFFFAOYSA-N -1 0 328.759 3.220 20 30 EGEDRM O=C([O-])Cn1cc(CN=Nc2nccnc2C2CCC2)c2ccccc21 ZINC000807993822 978851883 /nfs/dbraw/zinc/85/18/83/978851883.db2.gz GHEBOUKWKSJABJ-UHFFFAOYSA-N -1 0 349.394 3.229 20 30 EGEDRM COc1cccc2c1OC(C)(C)CC2N=Nc1ccc(C(=O)[O-])cn1 ZINC000844588210 979396528 /nfs/dbraw/zinc/39/65/28/979396528.db2.gz PXFULNNDNUQFOO-UHFFFAOYSA-N -1 0 341.367 3.166 20 30 EGEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCc2c(cccc2C(=O)[O-])C1 ZINC001592834191 979573427 /nfs/dbraw/zinc/57/34/27/979573427.db2.gz MFGKZKWSTWRFIF-CQSZACIVSA-N -1 0 348.402 3.020 20 30 EGEDRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)Cc1ccc(C#N)cc1 ZINC001595362047 980767842 /nfs/dbraw/zinc/76/78/42/980767842.db2.gz VBBFKKMDPBWLJV-SFHVURJKSA-N -1 0 336.391 3.165 20 30 EGEDRM CCCC[C@H](NC(=O)c1c(Cl)cc(C#N)cc1Cl)C(=O)[O-] ZINC001595636366 981916418 /nfs/dbraw/zinc/91/64/18/981916418.db2.gz OKQBSUSNAUQLMT-NSHDSACASA-N -1 0 329.183 3.238 20 30 EGEDRM CCCC[C@H](ON=C(C)C)C(=O)NCc1ccc(C(=O)[O-])cc1F ZINC001595652505 982034268 /nfs/dbraw/zinc/03/42/68/982034268.db2.gz UNWHAZUAFFQRMB-HNNXBMFYSA-N -1 0 338.379 3.111 20 30 EGEDRM C=CCCC[C@H](NC(=O)Cc1nc(-c2cccs2)oc1C)C(=O)[O-] ZINC000910915753 982162621 /nfs/dbraw/zinc/16/26/21/982162621.db2.gz QUMRLZYTFWIGBI-LBPRGKRZSA-N -1 0 348.424 3.180 20 30 EGEDRM CC[C@H](C)C[C@@H](NC(=O)C#Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001594937595 982601124 /nfs/dbraw/zinc/60/11/24/982601124.db2.gz WUFMLWMJXMWVDM-SMDDNHRTSA-N -1 0 341.329 3.063 20 30 EGEDRM N#CC1(C(=O)NCc2c3ccccc3sc2C(=O)[O-])CC2(CC2)C1 ZINC000923059035 982700385 /nfs/dbraw/zinc/70/03/85/982700385.db2.gz XOUPAKJTXJLICX-UHFFFAOYSA-N -1 0 340.404 3.300 20 30 EGEDRM C[C@@H](Cc1ccc(NC(=O)[C@]2(C#N)CC23CCCC3)cc1)C(=O)[O-] ZINC000923075907 982708583 /nfs/dbraw/zinc/70/85/83/982708583.db2.gz MDROUOWCYPBLRT-ORAYPTAESA-N -1 0 326.396 3.362 20 30 EGEDRM COc1cc(NC(=O)[C@]2(C#N)CC3CCC2CC3)ccc1C(=O)[O-] ZINC000923084530 982714224 /nfs/dbraw/zinc/71/42/24/982714224.db2.gz ZUYYHDYAKLMXIY-GFJXOLGBSA-N -1 0 328.368 3.052 20 30 EGEDRM C=CCO[C@@H]1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)C1 ZINC001118253063 982948490 /nfs/dbraw/zinc/94/84/90/982948490.db2.gz GONNFYSMMILZHG-QMTHXVAHSA-N -1 0 330.211 3.396 20 30 EGEDRM C#C[C@@H](NC(=O)Nc1cccc(SCCC(=O)[O-])c1)C(C)(C)C ZINC001588373984 983341148 /nfs/dbraw/zinc/34/11/48/983341148.db2.gz MZEATOBSBQZEQW-CQSZACIVSA-N -1 0 334.441 3.423 20 30 EGEDRM C#C[C@H](N[C@@H](Cc1ccc(Cl)cc1)C(=O)[O-])c1ccc(F)cc1 ZINC001588376151 983350143 /nfs/dbraw/zinc/35/01/43/983350143.db2.gz BPSUFQJDTISNCJ-IRXDYDNUSA-N -1 0 331.774 3.439 20 30 EGEDRM C#CCOc1ccc(C(=O)Nc2sc(CC)cc2C(=O)[O-])cc1 ZINC001588497421 983538572 /nfs/dbraw/zinc/53/85/72/983538572.db2.gz FKUSSIDNCCIQES-UHFFFAOYSA-N -1 0 329.377 3.273 20 30 EGEDRM C#CCOc1ccc(CNC(=O)Nc2cc(C(=O)[O-])ccc2C)cc1 ZINC001588497530 983539565 /nfs/dbraw/zinc/53/95/65/983539565.db2.gz LMOBYLQMAIAVKB-UHFFFAOYSA-N -1 0 338.363 3.027 20 30 EGEDRM C#Cc1ccc([C@@H](OC(=O)C[C@@H](C)CC(=O)[O-])C(F)(F)F)cc1 ZINC001588516588 983561601 /nfs/dbraw/zinc/56/16/01/983561601.db2.gz QNYJYGFPUMQDSZ-ZUZCIYMTSA-N -1 0 328.286 3.315 20 30 EGEDRM C=C(C)C[C@H](NC(=O)Cc1csc(-c2cccc(F)c2)n1)C(=O)[O-] ZINC001588543812 983612357 /nfs/dbraw/zinc/61/23/57/983612357.db2.gz NYLXKJHABZEFLD-AWEZNQCLSA-N -1 0 348.399 3.027 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)c1cc(Cl)ccc1Br)C(=O)[O-] ZINC001588544072 983613114 /nfs/dbraw/zinc/61/31/14/983613114.db2.gz UBEBQTOUVDLGKO-LLVKDONJSA-N -1 0 346.608 3.252 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)c1ccc(OC(F)(F)Cl)cc1)C(=O)[O-] ZINC001588547301 983619572 /nfs/dbraw/zinc/61/95/72/983619572.db2.gz WZQOAVBHAOJFPO-LLVKDONJSA-N -1 0 333.718 3.004 20 30 EGEDRM C=C(C)CCNC(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC001588558700 983638694 /nfs/dbraw/zinc/63/86/94/983638694.db2.gz ALADDDUJBMZEQQ-LSDHHAIUSA-N -1 0 336.819 3.116 20 30 EGEDRM C=C(C)CN(C)C(=O)Nc1cc(Br)c(F)cc1C(=O)[O-] ZINC001588561523 983642043 /nfs/dbraw/zinc/64/20/43/983642043.db2.gz IMAZNZKRHMRCEN-UHFFFAOYSA-N -1 0 345.168 3.326 20 30 EGEDRM C=C(C)Cn1c(-c2cc(C)cs2)nnc1N1CCC[C@H](C(=O)[O-])C1 ZINC001588577549 983656731 /nfs/dbraw/zinc/65/67/31/983656731.db2.gz XSOCDNHXUFTKQY-ZDUSSCGKSA-N -1 0 346.456 3.192 20 30 EGEDRM C=C(CC(C)C)C(=O)N[C@H](C(=O)[O-])c1ccc(Br)cc1 ZINC001588605160 983691033 /nfs/dbraw/zinc/69/10/33/983691033.db2.gz ASEJXEJOOXRRMW-ZDUSSCGKSA-N -1 0 340.217 3.293 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N(CCc1ccccc1)Cc1ccncc1 ZINC001588612517 983703396 /nfs/dbraw/zinc/70/33/96/983703396.db2.gz RDYFMYJQJYVNBO-UHFFFAOYSA-N -1 0 338.407 3.074 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H](COc1ccccc1)c1ccccc1 ZINC001588621768 983720578 /nfs/dbraw/zinc/72/05/78/983720578.db2.gz JNFYVNWBGXTNPK-SFHVURJKSA-N -1 0 339.391 3.344 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1cc(Cl)ccc1O[C@H](C)COC ZINC001588629384 983736907 /nfs/dbraw/zinc/73/69/07/983736907.db2.gz JOHUEUVHEMSIAB-LLVKDONJSA-N -1 0 341.791 3.113 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1cc(C)c(Br)cc1F ZINC001588630008 983740772 /nfs/dbraw/zinc/74/07/72/983740772.db2.gz ZVVBKMHGIQNZOA-UHFFFAOYSA-N -1 0 330.153 3.256 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1 ZINC001588630388 983743284 /nfs/dbraw/zinc/74/32/84/983743284.db2.gz YXOWTSMNSFQLBF-UHFFFAOYSA-N -1 0 348.399 3.071 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1cccc(OCc2cscn2)c1 ZINC001588633153 983747977 /nfs/dbraw/zinc/74/79/77/983747977.db2.gz BZXQPKJZIJWBNW-UHFFFAOYSA-N -1 0 332.381 3.082 20 30 EGEDRM C=CC(C)(C)CCCNC(=O)N1CCC(c2cc(C(=O)[O-])on2)CC1 ZINC001588673267 983829434 /nfs/dbraw/zinc/82/94/34/983829434.db2.gz OFVKKSJEVJKSIA-UHFFFAOYSA-N -1 0 349.431 3.254 20 30 EGEDRM C=CC(C)(C)CNS(=O)(=O)c1ccc(C(=O)[O-])c2ccccc21 ZINC001588680844 983836845 /nfs/dbraw/zinc/83/68/45/983836845.db2.gz HUJOYRHUWQXQKZ-UHFFFAOYSA-N -1 0 333.409 3.029 20 30 EGEDRM C=C[C@H](CC)CC(=O)Nc1ccc(OCC(=O)[O-])c2ncccc12 ZINC001588690609 983875280 /nfs/dbraw/zinc/87/52/80/983875280.db2.gz DZGMDTANKFFZQS-GFCCVEGCSA-N -1 0 328.368 3.239 20 30 EGEDRM C=C[C@@H](Sc1ncnc2c1cnn2-c1ccc(Cl)cc1)C(=O)[O-] ZINC001588714718 983952709 /nfs/dbraw/zinc/95/27/09/983952709.db2.gz LNDUKHVMJVDRRG-GFCCVEGCSA-N -1 0 346.799 3.200 20 30 EGEDRM C=C[C@@H](SCCCCCCN1C(=O)c2ccccc2C1=O)C(=O)[O-] ZINC001588715012 983953981 /nfs/dbraw/zinc/95/39/81/983953981.db2.gz RGFZRCYESINYRQ-OAHLLOKOSA-N -1 0 347.436 3.215 20 30 EGEDRM C=C[C@@H](Sc1nnc(-c2ccc(N(CC)CC)cc2)o1)C(=O)[O-] ZINC001588715461 983955698 /nfs/dbraw/zinc/95/56/98/983955698.db2.gz XORCLIWSQPBWIE-CYBMUJFWSA-N -1 0 333.413 3.314 20 30 EGEDRM C=CC[C@@H](Sc1nnc(-c2ccc(F)cc2)n1CC=C)C(=O)[O-] ZINC001588759157 984110236 /nfs/dbraw/zinc/11/02/36/984110236.db2.gz QKXLSFAFBLIRMB-CYBMUJFWSA-N -1 0 333.388 3.392 20 30 EGEDRM C=CC[C@@H](Sc1nnc(Nc2ccc(OC)cc2)s1)C(=O)[O-] ZINC001588761724 984114284 /nfs/dbraw/zinc/11/42/84/984114284.db2.gz APAYYCUDNLVUSH-LLVKDONJSA-N -1 0 337.426 3.412 20 30 EGEDRM C=CCC1(C(=O)N2CCC[C@H](c3ncc(C(=O)[O-])s3)C2)CCC1 ZINC001588762688 984116783 /nfs/dbraw/zinc/11/67/83/984116783.db2.gz LNBBKNPZTOWSIM-LBPRGKRZSA-N -1 0 334.441 3.294 20 30 EGEDRM C=CCC1(NS(=O)(=O)Cc2ccccc2C(=O)[O-])CCCCC1 ZINC001588768802 984130940 /nfs/dbraw/zinc/13/09/40/984130940.db2.gz GRKKEMMGPBNDDP-UHFFFAOYSA-N -1 0 337.441 3.083 20 30 EGEDRM C=CCC1(NS(=O)(=O)c2cc(C(=O)[O-])c(Cl)o2)CCCCC1 ZINC001588769544 984134111 /nfs/dbraw/zinc/13/41/11/984134111.db2.gz YCWHQCHYNKGLOS-UHFFFAOYSA-N -1 0 347.820 3.189 20 30 EGEDRM C=CCC[C@@H]1CCCN1C(=O)Nc1ccc(C(=O)[O-])c(C(=O)OC)c1 ZINC001588782391 984171681 /nfs/dbraw/zinc/17/16/81/984171681.db2.gz UKDWIHXPRACHEH-CYBMUJFWSA-N -1 0 346.383 3.134 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1ccc(F)cc1Br)C(=O)[O-] ZINC001588793449 984219101 /nfs/dbraw/zinc/21/91/01/984219101.db2.gz QOFSELCQCVRDKH-LBPRGKRZSA-N -1 0 344.180 3.128 20 30 EGEDRM C=CCCC[C@@H](NC(=O)Nc1c(C(=O)[O-])cnn1C)c1ccccc1 ZINC001588794187 984225234 /nfs/dbraw/zinc/22/52/34/984225234.db2.gz NUHCFDZEQUOGTD-OAHLLOKOSA-N -1 0 342.399 3.337 20 30 EGEDRM C=CCN(CC(=O)Nc1ccc(C(=O)[O-])cc1)Cc1ccccc1F ZINC001588823997 984295780 /nfs/dbraw/zinc/29/57/80/984295780.db2.gz JQYSORXZUHUBRN-UHFFFAOYSA-N -1 0 342.370 3.151 20 30 EGEDRM C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(C(=O)[O-])cc1F ZINC001588832327 984321235 /nfs/dbraw/zinc/32/12/35/984321235.db2.gz CTNIDFWQMKTWAM-UHFFFAOYSA-N -1 0 338.338 3.224 20 30 EGEDRM C=CCN(Cc1cccc(C#N)c1)Cc1ccccc1OCC(=O)[O-] ZINC001588832895 984327454 /nfs/dbraw/zinc/32/74/54/984327454.db2.gz VTLQEOGQVMYJMR-UHFFFAOYSA-N -1 0 336.391 3.210 20 30 EGEDRM C=CCOc1ccc(Cc2nc(-c3cc(C(=O)[O-])co3)no2)cc1 ZINC001588872868 984443242 /nfs/dbraw/zinc/44/32/42/984443242.db2.gz OKFDMLXFXLDONI-UHFFFAOYSA-N -1 0 326.308 3.183 20 30 EGEDRM C=CCOc1ccc(CN(C(=O)[C@H]2C[C@@H](C(=O)[O-])C2)C(C)(C)C)cc1 ZINC001588874011 984446995 /nfs/dbraw/zinc/44/69/95/984446995.db2.gz RGNFOUUYNGZDCG-IYBDPMFKSA-N -1 0 345.439 3.489 20 30 EGEDRM C=CCOc1ccc(C(=O)O[C@H](C)c2cc(C(=O)[O-])co2)cc1OC ZINC001588875127 984451257 /nfs/dbraw/zinc/45/12/57/984451257.db2.gz XFONTVMCZIQNCQ-LLVKDONJSA-N -1 0 346.335 3.469 20 30 EGEDRM C=CCSc1ccccc1NC(=O)CN([C@@H](C)C(=O)[O-])C1CCC1 ZINC001588879917 984460155 /nfs/dbraw/zinc/46/01/55/984460155.db2.gz YSDPMWHTCYAYAR-ZDUSSCGKSA-N -1 0 348.468 3.231 20 30 EGEDRM C=CCc1cccc(C(C)C)c1NC(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001588886193 984471182 /nfs/dbraw/zinc/47/11/82/984471182.db2.gz DRGRDOYMNFBWOZ-OAHLLOKOSA-N -1 0 346.427 3.246 20 30 EGEDRM C=CCn1c(SCc2ncccc2C(=O)[O-])nnc1-c1ccco1 ZINC001588907440 984539444 /nfs/dbraw/zinc/53/94/44/984539444.db2.gz NBZZQBPWSRCUTM-UHFFFAOYSA-N -1 0 342.380 3.110 20 30 EGEDRM C[C@H](CC(=O)[O-])OC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC001599890534 984688459 /nfs/dbraw/zinc/68/84/59/984688459.db2.gz ZISXITFJHRTOKK-GFCCVEGCSA-N -1 0 325.320 3.371 20 30 EGEDRM Cc1c(C#N)cccc1NC(=O)N1CCc2c(cccc2C(=O)[O-])C1 ZINC001599974429 986066416 /nfs/dbraw/zinc/06/64/16/986066416.db2.gz CBOBDCYWGMSBSM-UHFFFAOYSA-N -1 0 335.363 3.155 20 30 EGEDRM C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(C(=O)[O-])[nH]1 ZINC001589331401 986185180 /nfs/dbraw/zinc/18/51/80/986185180.db2.gz DCOKTQABSHWTGL-SNVBAGLBSA-N -1 0 329.381 3.217 20 30 EGEDRM C[C@H](C#N)Oc1ccc(CN(C)c2ccc(OCC(=O)[O-])cc2)cc1 ZINC001589334547 986203802 /nfs/dbraw/zinc/20/38/02/986203802.db2.gz GJUYQIDCAMVWQN-CQSZACIVSA-N -1 0 340.379 3.077 20 30 EGEDRM CCOc1ccc(NC(=O)N(CCC#N)CC2CC2)c(C(=O)[O-])c1F ZINC001597117014 986791294 /nfs/dbraw/zinc/79/12/94/986791294.db2.gz BJWDMZITFGXWOY-UHFFFAOYSA-N -1 0 349.362 3.080 20 30 EGEDRM CC(C)(C#N)c1ccc(C(=O)NC2(CC(=O)[O-])CCCCC2)cc1 ZINC001589558816 987311122 /nfs/dbraw/zinc/31/11/22/987311122.db2.gz UVEXHIWLNMSNNP-UHFFFAOYSA-N -1 0 328.412 3.395 20 30 EGEDRM CCc1ccc(C#CC(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1 ZINC001597495010 988040644 /nfs/dbraw/zinc/04/06/44/988040644.db2.gz NYXXZKAIVHVHEE-YWZLYKJASA-N -1 0 335.403 3.179 20 30 EGEDRM CCc1ccc(C(=O)[O-])c(OC(=O)[C@H](C)Oc2ccccc2C#N)c1 ZINC001597502471 988067347 /nfs/dbraw/zinc/06/73/47/988067347.db2.gz BTGPVIBKRCWSGY-LBPRGKRZSA-N -1 0 339.347 3.192 20 30 EGEDRM CCc1nnc(Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)c(C#N)c1CC ZINC001597736043 989084557 /nfs/dbraw/zinc/08/45/57/989084557.db2.gz QASGJXUELZQFOL-GFCCVEGCSA-N -1 0 338.411 3.480 20 30 EGEDRM CCc1noc(CNc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)n1 ZINC001597750546 989146380 /nfs/dbraw/zinc/14/63/80/989146380.db2.gz DPMJGIUQEYFVKB-UHFFFAOYSA-N -1 0 347.374 3.342 20 30 EGEDRM CC(C)(C)Oc1cccc(NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)c1 ZINC001590420740 989965933 /nfs/dbraw/zinc/96/59/33/989965933.db2.gz ZXSFRLUFSXCWMR-UHFFFAOYSA-N -1 0 345.399 3.086 20 30 EGEDRM CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC001590481575 990074064 /nfs/dbraw/zinc/07/40/64/990074064.db2.gz IKKQGCKZUUZOON-ZDUSSCGKSA-N -1 0 326.352 3.270 20 30 EGEDRM CC(C)(C)n1cc(C#N)cc1NC(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001590587232 990235229 /nfs/dbraw/zinc/23/52/29/990235229.db2.gz LOFDNAIMMJOUKO-UHFFFAOYSA-N -1 0 346.431 3.271 20 30 EGEDRM CN(C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1)[C@@H]1CCC[C@H]1C#N ZINC001598056618 990317460 /nfs/dbraw/zinc/31/74/60/990317460.db2.gz QTICOBMIPUGHOC-QPUJVOFHSA-N -1 0 339.754 3.333 20 30 EGEDRM CC(C)(NC(=O)c1ccc(C(=O)[O-])cc1F)c1cccc(C#N)c1 ZINC001590861386 990751892 /nfs/dbraw/zinc/75/18/92/990751892.db2.gz AZONXRVJVVTVLH-UHFFFAOYSA-N -1 0 326.327 3.061 20 30 EGEDRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)CSc1ccc(C#N)cc1 ZINC001598509756 992555047 /nfs/dbraw/zinc/55/50/47/992555047.db2.gz CMKSHCMZPOSCEJ-UHFFFAOYSA-N -1 0 340.404 3.007 20 30 EGEDRM COc1ccc(NC(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)cc1C#N ZINC001599593508 993718629 /nfs/dbraw/zinc/71/86/29/993718629.db2.gz YDAVEPDAGPMMFE-NSHDSACASA-N -1 0 339.351 3.399 20 30 EGEDRM CN1N=C(c2ccc(C(=O)[O-])cc2)CS/C1=N\Cc1ccccc1 ZINC001598633999 994217672 /nfs/dbraw/zinc/21/76/72/994217672.db2.gz UIOXWILWDUFDMF-HNENSFHCSA-N -1 0 339.420 3.324 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1OCCCOc1ccc(C#N)cc1 ZINC001599379981 996818181 /nfs/dbraw/zinc/81/81/81/996818181.db2.gz UATCMQLLPUATQL-UHFFFAOYSA-N -1 0 327.336 3.113 20 30 EGEDRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)c1cccc(CC#N)c1 ZINC001599398894 997179032 /nfs/dbraw/zinc/17/90/32/997179032.db2.gz MVSHJMQXDMJKDJ-SOFGYWHQSA-N -1 0 337.331 3.078 20 30 EGEDRM COc1cc(Cl)c(CN2CCC(C#N)(C(=O)[O-])CC2)cc1Cl ZINC001599418603 997553694 /nfs/dbraw/zinc/55/36/94/997553694.db2.gz KXZYONQORFVLIQ-UHFFFAOYSA-N -1 0 343.210 3.192 20 30 EGEDRM CON=Cc1ccc(C(=O)Nc2ccc(C)c(C)c2C(=O)[O-])cc1 ZINC001599320756 997577055 /nfs/dbraw/zinc/57/70/55/997577055.db2.gz LRUPUPJSQIATMW-UHFFFAOYSA-N -1 0 326.352 3.234 20 30 EGEDRM COc1cc(C(=O)/C=C/c2cc(C(=O)[O-])n(C)c2)ccc1SC ZINC001599349833 998074432 /nfs/dbraw/zinc/07/44/32/998074432.db2.gz FLNYBVNDNDXQCD-GQCTYLIASA-N -1 0 331.393 3.350 20 30 EGEDRM COc1cc([N+](=O)[O-])ccc1NN=Cc1cc(C(=O)[O-])ccc1Cl ZINC001599462230 998293585 /nfs/dbraw/zinc/29/35/85/998293585.db2.gz VRQRSNDEIHPPMS-UHFFFAOYSA-N -1 0 349.730 3.401 20 30 EGEDRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)Nc1scc(C(C)(C)C)c1C#N ZINC001594155629 998562591 /nfs/dbraw/zinc/56/25/91/998562591.db2.gz DBKDUWKYRGEUNU-UWVGGRQHSA-N -1 0 335.429 3.244 20 30 EGEDRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC001594158591 998587018 /nfs/dbraw/zinc/58/70/18/998587018.db2.gz JQOSWBAPIVWRFY-HNAYVOBHSA-N -1 0 333.387 3.022 20 30 EGEDRM C[C@@H]1CCN(CC#Cc2ccc(C(F)(F)F)cc2)[C@@H](C(=O)[O-])C1 ZINC001594423604 999582022 /nfs/dbraw/zinc/58/20/22/999582022.db2.gz USSHDFSDUURENG-IUODEOHRSA-N -1 0 325.330 3.242 20 30 EGEDRM Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000173969425 231085575 /nfs/dbraw/zinc/08/55/75/231085575.db2.gz YDPYCFNDXCZMKM-ZUOKHONESA-N -1 0 349.434 3.016 20 30 EGEDRM CCCCC(=O)[N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000048513940 213944007 /nfs/dbraw/zinc/94/40/07/213944007.db2.gz UYNKCPNJVVULLN-UHFFFAOYSA-N -1 0 334.319 3.412 20 30 EGEDRM CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2ccc(C#N)cc2C)c1C ZINC000359647016 141397272 /nfs/dbraw/zinc/39/72/72/141397272.db2.gz LGGYFUZNTUZSAV-GFCCVEGCSA-N -1 0 332.429 3.143 20 30 EGEDRM Cc1cccc([C@@H]([N-]S(=O)(=O)c2ccc(C#N)o2)C(F)(F)F)c1 ZINC000344677752 144208975 /nfs/dbraw/zinc/20/89/75/144208975.db2.gz WYLTZWAVFVJXSE-CYBMUJFWSA-N -1 0 344.314 3.042 20 30 EGEDRM N#Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)nc2ccccc12 ZINC000351221859 144260344 /nfs/dbraw/zinc/26/03/44/144260344.db2.gz LBLNPOTWISEAMH-UHFFFAOYSA-N -1 0 349.415 3.396 20 30 EGEDRM CCNc1ccc(C#N)cc1NS(=O)(=O)c1ccc(OC)cc1C ZINC000125334646 162269734 /nfs/dbraw/zinc/26/97/34/162269734.db2.gz INCDMSANBAOHGN-UHFFFAOYSA-N -1 0 345.424 3.108 20 30 EGEDRM N#Cc1cnc(Sc2n[n-]c(=NCc3ccco3)s2)c(Cl)c1 ZINC000358881431 166993106 /nfs/dbraw/zinc/99/31/06/166993106.db2.gz ONKWWRJIOKOKBE-UHFFFAOYSA-N -1 0 349.828 3.236 20 30 EGEDRM CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2cccc(C)c2C#N)c1C ZINC000359660148 167203807 /nfs/dbraw/zinc/20/38/07/167203807.db2.gz BPRAPLGQAFUHCK-GFCCVEGCSA-N -1 0 332.429 3.143 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)C=Cc2cccc(C#N)c2)cc1 ZINC000048422688 270037509 /nfs/dbraw/zinc/03/75/09/270037509.db2.gz QNXLSRBISUFBHC-JXMROGBWSA-N -1 0 326.377 3.225 20 30 EGEDRM CC(C)COc1cccc([N-]S(=O)(=O)c2ccc(C#N)s2)c1 ZINC000435497509 270051137 /nfs/dbraw/zinc/05/11/37/270051137.db2.gz PXEXBLXZPBBYGW-UHFFFAOYSA-N -1 0 336.438 3.455 20 30 EGEDRM N#Cc1cccc(CNC(=O)c2cc(F)cc(Br)c2[O-])c1 ZINC000436849882 270051436 /nfs/dbraw/zinc/05/14/36/270051436.db2.gz VVGMTYXHKNVVMR-UHFFFAOYSA-N -1 0 349.159 3.095 20 30 EGEDRM CCc1ccc(S(=O)(=O)[N-]c2ccc(COC)c(C#N)c2)s1 ZINC000530144103 270060293 /nfs/dbraw/zinc/06/02/93/270060293.db2.gz CJDPDCYSLQLXLK-UHFFFAOYSA-N -1 0 336.438 3.129 20 30 EGEDRM CC(C)n1cnnc1-c1ccccc1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000188767886 265708455 /nfs/dbraw/zinc/70/84/55/265708455.db2.gz GOQTXWSZAATRAQ-UHFFFAOYSA-N -1 0 347.378 3.356 20 30 EGEDRM CNc1ccc(C#N)cc1NC(=O)c1ccc(Br)cc1[O-] ZINC000436672191 267354361 /nfs/dbraw/zinc/35/43/61/267354361.db2.gz BDUUCBUPWQVFHE-UHFFFAOYSA-N -1 0 346.184 3.320 20 30 EGEDRM Cc1cc(CSc2n[n-]c(=NC[C@@H]3CCCO3)s2)ccc1C#N ZINC000447299082 268001591 /nfs/dbraw/zinc/00/15/91/268001591.db2.gz NQIDBMVKNIVENR-AWEZNQCLSA-N -1 0 346.481 3.023 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2nnc(-c3ccsc3)s2)cc1[O-] ZINC000188439806 268048620 /nfs/dbraw/zinc/04/86/20/268048620.db2.gz FKUUKVRLIFAOGN-UHFFFAOYSA-N -1 0 328.378 3.096 20 30 EGEDRM Cc1ccnc(-c2cccc(NC(=O)c3ccc(C#N)c([O-])c3)c2)n1 ZINC000442645028 268062458 /nfs/dbraw/zinc/06/24/58/268062458.db2.gz DJMWRPHMPSVDOK-UHFFFAOYSA-N -1 0 330.347 3.282 20 30 EGEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc3c(c2)COC3)c1 ZINC000187041364 268099167 /nfs/dbraw/zinc/09/91/67/268099167.db2.gz MVEMLVDCBRWPMD-UHFFFAOYSA-N -1 0 334.784 3.043 20 30 EGEDRM N#Cc1ccc(Cl)cc1[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC000194672114 268101317 /nfs/dbraw/zinc/10/13/17/268101317.db2.gz CVNICFVESFOOHH-UHFFFAOYSA-N -1 0 342.754 3.432 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2ccc(OCc3ccccc3)nc2)cc1[O-] ZINC000527192609 268205870 /nfs/dbraw/zinc/20/58/70/268205870.db2.gz HQJBJSHAEIEDRI-UHFFFAOYSA-N -1 0 345.358 3.490 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2nc3cc(F)c(F)cc3s2)cc1[O-] ZINC000442943202 268207656 /nfs/dbraw/zinc/20/76/56/268207656.db2.gz RFHIDMZOTFJAMC-UHFFFAOYSA-N -1 0 331.303 3.404 20 30 EGEDRM N#Cc1ccc(C(=O)[O-])nc1/C=C/c1cnc(-c2ccccc2)nc1 ZINC000524157354 268207781 /nfs/dbraw/zinc/20/77/81/268207781.db2.gz YBUIYOVHVDBDGE-SOFGYWHQSA-N -1 0 328.331 3.279 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2OC2CCCC2)o1 ZINC000288450838 268208267 /nfs/dbraw/zinc/20/82/67/268208267.db2.gz JEYFOMLAGJRPRP-UHFFFAOYSA-N -1 0 332.381 3.273 20 30 EGEDRM N#Cc1cccc(S(=O)(=O)NC2(C(F)(F)F)CCCCC2)c1 ZINC000510224124 268287174 /nfs/dbraw/zinc/28/71/74/268287174.db2.gz SHFXAXAVGDBXAA-UHFFFAOYSA-N -1 0 332.347 3.102 20 30 EGEDRM COc1ccc(/C=C\c2nc(C(=O)[O-])ccc2C#N)cc1OC(F)F ZINC000357571051 295062996 /nfs/dbraw/zinc/06/29/96/295062996.db2.gz UUMUJZYFALMHDB-DJWKRKHSSA-N -1 0 346.289 3.432 20 30 EGEDRM C[C@@]1(C(=O)[O-])CCN(c2c(C#N)cnc3c(F)ccc(Cl)c32)C1 ZINC000262968193 297882780 /nfs/dbraw/zinc/88/27/80/297882780.db2.gz ATNAAIIAEBQVAA-MRXNPFEDSA-N -1 0 333.750 3.200 20 30 EGEDRM N#Cc1cnc2c(F)ccc(Cl)c2c1N1CCC(C(=O)[O-])CC1 ZINC000263515121 303213611 /nfs/dbraw/zinc/21/36/11/303213611.db2.gz OLELJAHBPZAESN-UHFFFAOYSA-N -1 0 333.750 3.200 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc[nH]3)cc2)c(F)c1 ZINC000539807899 314340323 /nfs/dbraw/zinc/34/03/23/314340323.db2.gz JNUKFVPLTSTFJC-UHFFFAOYSA-N -1 0 341.367 3.493 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2cc(C#N)ccc2OC(C)C)c(C)o1 ZINC000182785945 323575342 /nfs/dbraw/zinc/57/53/42/323575342.db2.gz PBLFRINZJZPPJF-UHFFFAOYSA-N -1 0 334.397 3.356 20 30 EGEDRM CC(C)(C)n1cc(C#N)c([N-]S(=O)(=O)CCC2CCCCC2)n1 ZINC000579916576 325175327 /nfs/dbraw/zinc/17/53/27/325175327.db2.gz LLRGCGHQPZJPHB-UHFFFAOYSA-N -1 0 338.477 3.222 20 30 EGEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)o2)ccc1C(F)(F)F ZINC000340953913 456780778 /nfs/dbraw/zinc/78/07/78/456780778.db2.gz MBFGTGRBGKHSCM-UHFFFAOYSA-N -1 0 330.287 3.279 20 30 EGEDRM CCCc1n[n-]c(=NC(=O)N[C@@H]2CCC[C@H](SCC)C2)s1 ZINC000331141392 457138217 /nfs/dbraw/zinc/13/82/17/457138217.db2.gz FJYUDBUAAFRUME-MNOVXSKESA-N -1 0 328.507 3.303 20 30 EGEDRM C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(C(=O)[O-])nc1 ZINC000238030046 455247275 /nfs/dbraw/zinc/24/72/75/455247275.db2.gz CWGIAKQQOAWNBC-UHFFFAOYSA-N -1 0 336.800 3.323 20 30 EGEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000634896179 460587886 /nfs/dbraw/zinc/58/78/86/460587886.db2.gz YUNKTGYTGPXRET-SJORKVTESA-N -1 0 331.412 3.101 20 30 EGEDRM Cc1cc(F)cc2c1ncc(C#N)c2N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000600802176 460610110 /nfs/dbraw/zinc/61/01/10/460610110.db2.gz STDJGBUDPNOZAQ-RISCZKNCSA-N -1 0 327.359 3.101 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)Nc2nc(C(C)(C)C)cs2)cc1C#N ZINC000031892284 453857379 /nfs/dbraw/zinc/85/73/79/453857379.db2.gz CRNVRTGVRPVEJA-UHFFFAOYSA-N -1 0 348.453 3.387 20 30 EGEDRM N#CC(=C([O-])c1ccc2c(c1)NC(=O)CS2)c1nc2ccccc2o1 ZINC000041548145 453971553 /nfs/dbraw/zinc/97/15/53/453971553.db2.gz VFIXPLGTAAYVNG-LLVKDONJSA-N -1 0 349.371 3.362 20 30 EGEDRM Cc1cc(C(C#N)=C([O-])c2ccc(Cl)cc2[N+](=O)[O-])nc(C)n1 ZINC000041574323 453972739 /nfs/dbraw/zinc/97/27/39/453972739.db2.gz HFFOWSNAQZYQGO-GFCCVEGCSA-N -1 0 330.731 3.145 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cccc(OCC)c2)n1 ZINC000067897298 453978938 /nfs/dbraw/zinc/97/89/38/453978938.db2.gz QUNLYPIPRKCASZ-CYBMUJFWSA-N -1 0 344.392 3.209 20 30 EGEDRM COc1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)cc1[N+](=O)[O-] ZINC000190926824 455407489 /nfs/dbraw/zinc/40/74/89/455407489.db2.gz OPPJBEBYRLEFAX-GFCCVEGCSA-N -1 0 348.318 3.037 20 30 EGEDRM CCOC(=O)N1CC[C@@H](/N=C/c2cc(Cl)cc(Cl)c2[O-])C1 ZINC000184533623 455398021 /nfs/dbraw/zinc/39/80/21/455398021.db2.gz XFJDIALJWQCPAQ-RGOWCBCBSA-N -1 0 331.199 3.349 20 30 EGEDRM CC(C)Cc1nc(C([O-])=C(C#N)c2nnc3n2CCCCC3)cs1 ZINC000069345775 454096665 /nfs/dbraw/zinc/09/66/65/454096665.db2.gz SPSFUZRBFBUQSA-GFCCVEGCSA-N -1 0 343.456 3.150 20 30 EGEDRM CC(C)Oc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccccc1F ZINC000057122640 454103497 /nfs/dbraw/zinc/10/34/97/454103497.db2.gz XDBHZDLYSBWHAT-UHFFFAOYSA-N -1 0 334.372 3.285 20 30 EGEDRM N#CC(=C([O-])c1cccc(N2CCOC2=O)c1)c1nc2ccccc2o1 ZINC000077490975 454112893 /nfs/dbraw/zinc/11/28/93/454112893.db2.gz QQXLHWXUDWYUMY-CQSZACIVSA-N -1 0 347.330 3.274 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2ccnc(OCC(F)(F)F)c2)n1 ZINC000095404919 454204229 /nfs/dbraw/zinc/20/42/29/454204229.db2.gz WABTXGMTOIUGJU-JTQLQIEISA-N -1 0 341.314 3.278 20 30 EGEDRM Cc1c(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)cnn1C ZINC000119997700 454246128 /nfs/dbraw/zinc/24/61/28/454246128.db2.gz IRJODWZFAHEHHP-JTQLQIEISA-N -1 0 330.800 3.482 20 30 EGEDRM C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CCC[C@@H]1C(=O)[O-] ZINC000132881409 454373267 /nfs/dbraw/zinc/37/32/67/454373267.db2.gz MAMIAFSBXXPRFH-RYUDHWBXSA-N -1 0 327.833 3.417 20 30 EGEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1nc2ccccc2s1 ZINC000073353831 454428061 /nfs/dbraw/zinc/42/80/61/454428061.db2.gz YETCVCGLEKPRHK-UHFFFAOYSA-N -1 0 329.406 3.277 20 30 EGEDRM N#Cc1cccc(S(=O)(=O)[N-]c2nc3c(s2)CCCCCC3)c1 ZINC000098037503 454450484 /nfs/dbraw/zinc/45/04/84/454450484.db2.gz XEMFOCMCURZOMP-UHFFFAOYSA-N -1 0 347.465 3.475 20 30 EGEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(SC)cc1 ZINC000064479071 454485000 /nfs/dbraw/zinc/48/50/00/454485000.db2.gz FIURGMIKYBATCY-UHFFFAOYSA-N -1 0 334.422 3.090 20 30 EGEDRM COc1ccccc1C=CC(=O)[N-]S(=O)(=O)Cc1ccccc1 ZINC000048595709 454502123 /nfs/dbraw/zinc/50/21/23/454502123.db2.gz QGGAWEZLLPNEAK-VAWYXSNFSA-N -1 0 331.393 3.195 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2ccn(-c3ccccc3F)n2)n1 ZINC000073973793 454511170 /nfs/dbraw/zinc/51/11/70/454511170.db2.gz GURXYAXCLPRMNV-NSHDSACASA-N -1 0 326.356 3.266 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)Nc2ccc3nc(C)oc3c2)cc1C#N ZINC000074352359 454569166 /nfs/dbraw/zinc/56/91/66/454569166.db2.gz ZRWYQCBDGXBJPA-UHFFFAOYSA-N -1 0 340.364 3.083 20 30 EGEDRM CN(C)c1ccc(C#N)c([N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000123981467 454692223 /nfs/dbraw/zinc/69/22/23/454692223.db2.gz BJZQASSRCTZEKN-UHFFFAOYSA-N -1 0 341.845 3.140 20 30 EGEDRM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1ccccc1O ZINC000176398840 454738874 /nfs/dbraw/zinc/73/88/74/454738874.db2.gz YBTATOFTODLWHY-UHFFFAOYSA-N -1 0 342.298 3.083 20 30 EGEDRM CCc1nc(-c2ccc(C([O-])=C(C#N)c3nc(C)cs3)cc2)n[nH]1 ZINC000152967115 454747564 /nfs/dbraw/zinc/74/75/64/454747564.db2.gz OJNGTQFPNGVLGJ-ZDUSSCGKSA-N -1 0 337.408 3.289 20 30 EGEDRM CCc1nc(-c2ccc(C([O-])=C(C#N)c3nc(C)cs3)cc2)n[nH]1 ZINC000152967015 454747982 /nfs/dbraw/zinc/74/79/82/454747982.db2.gz OJNGTQFPNGVLGJ-CYBMUJFWSA-N -1 0 337.408 3.289 20 30 EGEDRM Cc1oc(-c2cnn(C)c2)nc1C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000176463729 454748878 /nfs/dbraw/zinc/74/88/78/454748878.db2.gz FRUQNCJZRAPKQQ-GFCCVEGCSA-N -1 0 347.334 3.015 20 30 EGEDRM CC(C)(C)c1[n-]n(Cc2ccc([N+](=O)[O-])cc2)c(=O)c1CCC#N ZINC000153528970 454803176 /nfs/dbraw/zinc/80/31/76/454803176.db2.gz WDZCBPBCQCOJEE-UHFFFAOYSA-N -1 0 328.372 3.299 20 30 EGEDRM Cn1ccc2ccc([N-]S(=O)(=O)c3c(F)cc(C#N)cc3F)cc21 ZINC000177359927 454855692 /nfs/dbraw/zinc/85/56/92/454855692.db2.gz ZCKSKFILVUOJDV-UHFFFAOYSA-N -1 0 347.346 3.129 20 30 EGEDRM C=CCN(CC=C)C(=O)NCc1ccc(O)c(Br)c1 ZINC000126185511 454876077 /nfs/dbraw/zinc/87/60/77/454876077.db2.gz YJQQTBFVZKRBAN-UHFFFAOYSA-N -1 0 325.206 3.038 20 30 EGEDRM CC(C)c1csc(C(C#N)=C([O-])c2cccc(S(C)(=O)=O)c2)n1 ZINC000177747686 454898739 /nfs/dbraw/zinc/89/87/39/454898739.db2.gz SCSRMCFFXSTWGI-ZDUSSCGKSA-N -1 0 348.449 3.160 20 30 EGEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1cc(Cl)cc(C(F)(F)F)c1 ZINC000169163772 454929588 /nfs/dbraw/zinc/92/95/88/454929588.db2.gz JKBDQWCDQJSYPY-JTQLQIEISA-N -1 0 326.727 3.403 20 30 EGEDRM CCOc1ccc(OC)cc1[N-]S(=O)(=O)c1cc(C#N)ccc1C ZINC000114674088 454967985 /nfs/dbraw/zinc/96/79/85/454967985.db2.gz BGJAFWXCFUJSAW-UHFFFAOYSA-N -1 0 346.408 3.075 20 30 EGEDRM CCN(C[C@@H](C)C#N)C(=O)c1cc(Br)cc(Cl)c1[O-] ZINC000119030345 455121555 /nfs/dbraw/zinc/12/15/55/455121555.db2.gz HBVPQEOZKOOOAS-QMMMGPOBSA-N -1 0 345.624 3.430 20 30 EGEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1ccccc1CC(F)(F)F ZINC000172901890 455207063 /nfs/dbraw/zinc/20/70/63/455207063.db2.gz FAXFZMPNEKNUMI-UHFFFAOYSA-N -1 0 340.326 3.464 20 30 EGEDRM Cc1cc(C)n(-c2ccccc2NC(=O)c2ccc(C#N)c([O-])c2)n1 ZINC000190325151 455297434 /nfs/dbraw/zinc/29/74/34/455297434.db2.gz OGWHCDJYMQDMLT-UHFFFAOYSA-N -1 0 332.363 3.319 20 30 EGEDRM N#CC(=C([O-])c1occc1Br)c1cnc2ccccc2n1 ZINC000190915836 455404978 /nfs/dbraw/zinc/40/49/78/455404978.db2.gz SIQXZUPNBTWWBJ-SECBINFHSA-N -1 0 342.152 3.475 20 30 EGEDRM C[C@@H]1CCC[C@@](C#N)(NS(=O)(=O)c2cc(F)ccc2Cl)C1 ZINC000182013828 455415995 /nfs/dbraw/zinc/41/59/95/455415995.db2.gz UJFKRGUZJWJMBM-QMTHXVAHSA-N -1 0 330.812 3.230 20 30 EGEDRM Cc1cc(S(=O)(=O)N[C@]2(C#N)CCC[C@@H](C)C2)c(F)cc1F ZINC000182012823 455416022 /nfs/dbraw/zinc/41/60/22/455416022.db2.gz TYYIBBSBPPTCFY-MEBBXXQBSA-N -1 0 328.384 3.024 20 30 EGEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)cc2O)c1 ZINC000160408436 455455999 /nfs/dbraw/zinc/45/59/99/455455999.db2.gz VUTMVKXEGMJBLE-UHFFFAOYSA-N -1 0 343.191 3.371 20 30 EGEDRM Cc1cccc(S(=O)(=O)[N-]c2cnoc2-c2ccccc2)c1C#N ZINC000182484397 455523062 /nfs/dbraw/zinc/52/30/62/455523062.db2.gz YAZDISIMSLLSEJ-UHFFFAOYSA-N -1 0 339.376 3.323 20 30 EGEDRM C=CCCO[C@H](C)C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000268905769 455725828 /nfs/dbraw/zinc/72/58/28/455725828.db2.gz MXEGNPUXPYOTHI-CYBMUJFWSA-N -1 0 337.441 3.314 20 30 EGEDRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2CC#N)c1 ZINC000193360123 455754507 /nfs/dbraw/zinc/75/45/07/455754507.db2.gz RLPJJAHYLKJTPF-UHFFFAOYSA-N -1 0 336.800 3.215 20 30 EGEDRM CC(=NNc1ccc(C(=O)[O-])cc1)c1cccc(N2CCOC2=O)c1 ZINC000252474637 455806471 /nfs/dbraw/zinc/80/64/71/455806471.db2.gz IQXIIQCURKVZCB-UHFFFAOYSA-N -1 0 339.351 3.178 20 30 EGEDRM Cc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c(C)c1O ZINC000186949058 455855183 /nfs/dbraw/zinc/85/51/83/455855183.db2.gz SSTOPFUKZYDKSF-UHFFFAOYSA-N -1 0 336.800 3.335 20 30 EGEDRM CC(=O)Nc1cccc(N=c2[n-]nc(S[C@@H](C#N)C3CC3)s2)c1 ZINC000601075237 460699165 /nfs/dbraw/zinc/69/91/65/460699165.db2.gz MSFUUVGTRCLVSQ-ZDUSSCGKSA-N -1 0 345.453 3.056 20 30 EGEDRM Cc1c(Cl)cc([N-]S(=O)(=O)c2ccc(C#N)nc2)cc1Cl ZINC000195446345 455962981 /nfs/dbraw/zinc/96/29/81/455962981.db2.gz VDJPEBHOVNUFIN-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM C=CCC[C@@H](NC(=O)[C@@H](C)Sc1ccccc1Cl)C(=O)[O-] ZINC000262910973 456067750 /nfs/dbraw/zinc/06/77/50/456067750.db2.gz NEWBUUHTYCXOTE-ZYHUDNBSSA-N -1 0 327.833 3.356 20 30 EGEDRM C[C@H]1C[C@@H](C(=O)[O-])CN(c2c(C#N)cnc3ccc(Cl)cc32)C1 ZINC000263172978 456104547 /nfs/dbraw/zinc/10/45/47/456104547.db2.gz JMVCZIBGHVCHEL-WDEREUQCSA-N -1 0 329.787 3.307 20 30 EGEDRM C=C(C)[C@@H](NC(=O)N1CC[C@](C)(C(=O)[O-])C1)c1ccc(F)c(F)c1 ZINC000263401128 456141962 /nfs/dbraw/zinc/14/19/62/456141962.db2.gz SCACPLJUZTXLIZ-PBHICJAKSA-N -1 0 338.354 3.088 20 30 EGEDRM C=CCC[C@@H](NC(=O)c1cc(Cl)c(Cl)cc1OC)C(=O)[O-] ZINC000263540837 456162833 /nfs/dbraw/zinc/16/28/33/456162833.db2.gz QTVVVMSIXZGAQZ-LLVKDONJSA-N -1 0 332.183 3.151 20 30 EGEDRM C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H](CCC)C(=O)[O-] ZINC000237009361 456217726 /nfs/dbraw/zinc/21/77/26/456217726.db2.gz NVPBZYZLCVJEEY-LBPRGKRZSA-N -1 0 345.317 3.253 20 30 EGEDRM C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1c([O-])cc(Cl)cc1Cl ZINC000334087409 456298927 /nfs/dbraw/zinc/29/89/27/456298927.db2.gz NXEOZASUNCMLTE-LKFCYVNXSA-N -1 0 330.211 3.410 20 30 EGEDRM C=CCCN(C)C(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000276484561 456496458 /nfs/dbraw/zinc/49/64/58/456496458.db2.gz MICSSJNMYQWLRY-UHFFFAOYSA-N -1 0 339.317 3.245 20 30 EGEDRM Cc1cc(F)ccc1N(Cc1n[nH]c(=O)[n-]1)Cc1ccc(C#N)cc1 ZINC000340833548 456708306 /nfs/dbraw/zinc/70/83/06/456708306.db2.gz MRBGKAGYYJNBAF-UHFFFAOYSA-N -1 0 337.358 3.036 20 30 EGEDRM CSc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000340854931 456721148 /nfs/dbraw/zinc/72/11/48/456721148.db2.gz SGUHYHVGNSAUMH-UHFFFAOYSA-N -1 0 328.802 3.327 20 30 EGEDRM Cc1c(C([O-])=C(C#N)c2nc3ccccc3o2)nnn1-c1ccccc1 ZINC000353554210 456756401 /nfs/dbraw/zinc/75/64/01/456756401.db2.gz IQGNJQWOCJAQBI-CQSZACIVSA-N -1 0 343.346 3.207 20 30 EGEDRM C[C@@H](C(=O)Nc1cccc([C@@]2(C)NC(=O)NC2=O)c1)C1CCOCC1 ZINC000328770541 456756804 /nfs/dbraw/zinc/75/68/04/456756804.db2.gz JAUUJNJQXSLVOQ-ADLMAVQZSA-N -1 0 345.399 3.437 20 30 EGEDRM N#CCc1ccc(C(=O)N=c2[n-]nc(/C=C\c3ccco3)s2)cc1 ZINC000343834381 456776683 /nfs/dbraw/zinc/77/66/83/456776683.db2.gz OUJUGFKNNSDDPV-FPLPWBNLSA-N -1 0 336.376 3.042 20 30 EGEDRM C=C(C)COc1cccc(NC(=O)c2cccc(OCC(=O)[O-])c2)c1 ZINC000345806926 456997575 /nfs/dbraw/zinc/99/75/75/456997575.db2.gz OKOPOGIKHPTFKA-UHFFFAOYSA-N -1 0 341.363 3.357 20 30 EGEDRM N#CCc1cccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(Cl)cc2)c1 ZINC000345888140 457004221 /nfs/dbraw/zinc/00/42/21/457004221.db2.gz PJFCDCKUXJKQCR-MRXNPFEDSA-N -1 0 342.782 3.352 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2ccc3nnc(C(C)(C)C)n3c2)n1 ZINC000346415898 457041084 /nfs/dbraw/zinc/04/10/84/457041084.db2.gz OCTBJMSDAMGQIA-GFCCVEGCSA-N -1 0 339.424 3.282 20 30 EGEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(OCC(C)C)nc1 ZINC000342290518 457216549 /nfs/dbraw/zinc/21/65/49/457216549.db2.gz VUOILMCIJRBPQU-UHFFFAOYSA-N -1 0 345.424 3.097 20 30 EGEDRM Cc1nc(-c2cccs2)sc1C([O-])=C(C#N)c1ccncn1 ZINC000354464642 457240664 /nfs/dbraw/zinc/24/06/64/457240664.db2.gz IUYNROJNYCVRKI-SNVBAGLBSA-N -1 0 326.406 3.460 20 30 EGEDRM CCCc1c(C([O-])=C(C#N)c2ccncn2)cnn1-c1ccc(F)cc1 ZINC000354471773 457244946 /nfs/dbraw/zinc/24/49/46/457244946.db2.gz UDEVEJATKAYUBQ-HNNXBMFYSA-N -1 0 349.369 3.244 20 30 EGEDRM C=CCCC[C@H](C)NC(=O)c1nn(-c2ccc(OC)cc2)cc1[O-] ZINC000354509616 457263425 /nfs/dbraw/zinc/26/34/25/457263425.db2.gz NBYOHGTWJNGZTJ-ZDUSSCGKSA-N -1 0 329.400 3.061 20 30 EGEDRM C=CCOc1ccccc1CNC(=O)CCc1ccccc1C(=O)[O-] ZINC000347385653 457393591 /nfs/dbraw/zinc/39/35/91/457393591.db2.gz XUCHJONIKWYSNI-UHFFFAOYSA-N -1 0 339.391 3.199 20 30 EGEDRM CSc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)n1 ZINC000342632252 457417081 /nfs/dbraw/zinc/41/70/81/457417081.db2.gz DBNQRJTUWOOJTA-UHFFFAOYSA-N -1 0 339.829 3.129 20 30 EGEDRM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccccc1CC#N ZINC000355839393 457422863 /nfs/dbraw/zinc/42/28/63/457422863.db2.gz FKQRFPIKJKNXHW-UHFFFAOYSA-N -1 0 336.800 3.215 20 30 EGEDRM CC[C@@H](C)n1nc([N-]S(=O)(=O)c2ccccc2CC#N)cc1C ZINC000355867303 457426373 /nfs/dbraw/zinc/42/63/73/457426373.db2.gz LYFOVYKZKLTKMV-GFCCVEGCSA-N -1 0 332.429 3.029 20 30 EGEDRM Cc1cc(C)c([N+](=O)[O-])cc1NS(=O)(=O)c1ccccc1CC#N ZINC000355872248 457426669 /nfs/dbraw/zinc/42/66/69/457426669.db2.gz WSZHHUUJRVFSIU-UHFFFAOYSA-N -1 0 345.380 3.079 20 30 EGEDRM C=CCOc1cccc(NS(=O)(=O)c2cccc(C(=O)[O-])c2C)c1 ZINC000357397133 457495265 /nfs/dbraw/zinc/49/52/65/457495265.db2.gz GKKBXSTWFKWONQ-UHFFFAOYSA-N -1 0 347.392 3.059 20 30 EGEDRM N#CCCCOc1cccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000356328483 457573908 /nfs/dbraw/zinc/57/39/08/457573908.db2.gz QMYINCIXZZLRHD-UHFFFAOYSA-N -1 0 341.323 3.235 20 30 EGEDRM COc1cncc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)n1 ZINC000361183786 457635171 /nfs/dbraw/zinc/63/51/71/457635171.db2.gz CWFGMHHAPXDXCF-LBPRGKRZSA-N -1 0 336.376 3.099 20 30 EGEDRM COc1cncc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)n1 ZINC000361183785 457635636 /nfs/dbraw/zinc/63/56/36/457635636.db2.gz CWFGMHHAPXDXCF-GFCCVEGCSA-N -1 0 336.376 3.099 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)c2cnc3ccccc3n2)nn1C(F)F ZINC000361542533 457784444 /nfs/dbraw/zinc/78/44/44/457784444.db2.gz ZVADUHZUCLSIHS-SNVBAGLBSA-N -1 0 327.294 3.020 20 30 EGEDRM COc1cc(C)cnc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000362132826 458032121 /nfs/dbraw/zinc/03/21/21/458032121.db2.gz DLMJXGQZYDVTNP-LLVKDONJSA-N -1 0 335.285 3.303 20 30 EGEDRM COCc1nc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)cs1 ZINC000362135723 458032829 /nfs/dbraw/zinc/03/28/29/458032829.db2.gz TVOCJIDPEJYPBG-VIFPVBQESA-N -1 0 341.314 3.193 20 30 EGEDRM CC(C)c1nn(C)cc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000362186089 458040936 /nfs/dbraw/zinc/04/09/36/458040936.db2.gz JOFQWGJBTOWPMI-NSHDSACASA-N -1 0 336.317 3.447 20 30 EGEDRM C[C@H](CN(Cc1ccccc1)C(=O)c1cccc(CC#N)c1)C(=O)[O-] ZINC000362537921 458253572 /nfs/dbraw/zinc/25/35/72/458253572.db2.gz ORBUOMKUFLOMNW-OAHLLOKOSA-N -1 0 336.391 3.116 20 30 EGEDRM CCCc1c([N-]S(=O)(=O)[C@H](C#N)CC)cnn1-c1ccccc1C ZINC000416953085 458358040 /nfs/dbraw/zinc/35/80/40/458358040.db2.gz HEOLFLSSMYHZRE-AWEZNQCLSA-N -1 0 346.456 3.177 20 30 EGEDRM CCCc1nc(C)c(C([O-])=C(C#N)c2nc(C(=O)OCC)cs2)o1 ZINC000429686046 458358892 /nfs/dbraw/zinc/35/88/92/458358892.db2.gz QPBSQLMQFRRTDP-SNVBAGLBSA-N -1 0 347.396 3.059 20 30 EGEDRM CN(CCOCc1ccc(C#N)cc1)C(=O)c1ccc([O-])c(Cl)c1 ZINC000436938741 458409552 /nfs/dbraw/zinc/40/95/52/458409552.db2.gz MLKDAPFFCWOZAK-UHFFFAOYSA-N -1 0 344.798 3.206 20 30 EGEDRM C=CCC1(C(=O)Nc2ccc(-c3nc(=O)o[n-]3)cc2)CCCCC1 ZINC000448858157 458413448 /nfs/dbraw/zinc/41/34/48/458413448.db2.gz UPNWKNLORKGMNT-UHFFFAOYSA-N -1 0 327.384 3.495 20 30 EGEDRM COc1ccc(CN=c2[n-]nc(S[C@@H]3CC[C@@H](C#N)C3)s2)cc1 ZINC000450779358 458456701 /nfs/dbraw/zinc/45/67/01/458456701.db2.gz WETADXJRYICVHJ-TZMCWYRMSA-N -1 0 346.481 3.365 20 30 EGEDRM Cc1nnc2ccc(C([O-])=C(C#N)c3ncc(C(C)(C)C)s3)cn12 ZINC000430596137 458469062 /nfs/dbraw/zinc/46/90/62/458469062.db2.gz ZHFXWQVHCZVZMH-LBPRGKRZSA-N -1 0 339.424 3.282 20 30 EGEDRM COC(=O)c1ccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)o1 ZINC000430602464 458470758 /nfs/dbraw/zinc/47/07/58/458470758.db2.gz LEAFYPGMMQKYDC-SECBINFHSA-N -1 0 332.381 3.310 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2ccc(NC(=O)C(C)(C)C)nc2)n1 ZINC000453588430 458536977 /nfs/dbraw/zinc/53/69/77/458536977.db2.gz LOEWILLTUYRXHX-LBPRGKRZSA-N -1 0 342.424 3.321 20 30 EGEDRM Cc1ccc(-c2ncco2)cc1[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000373819324 458614046 /nfs/dbraw/zinc/61/40/46/458614046.db2.gz KPUYCCUSDCPNMH-UHFFFAOYSA-N -1 0 345.405 3.384 20 30 EGEDRM Fc1cc(C(F)(F)F)c(F)cc1CN=c1[n-]nc(C(F)F)o1 ZINC000432160889 458691869 /nfs/dbraw/zinc/69/18/69/458691869.db2.gz GCRDMXOKWYGMRR-UHFFFAOYSA-N -1 0 329.175 3.338 20 30 EGEDRM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000439621819 458732955 /nfs/dbraw/zinc/73/29/55/458732955.db2.gz MQFZMZFUKCTHAI-UHFFFAOYSA-N -1 0 333.388 3.238 20 30 EGEDRM CCCc1nc(C)c(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)s1 ZINC000530708249 458815315 /nfs/dbraw/zinc/81/53/15/458815315.db2.gz JBBWZYOWLOGZGP-NSHDSACASA-N -1 0 339.424 3.474 20 30 EGEDRM C=CCOc1ccc(C(=O)NC2(CC(=O)[O-])CCCCC2)cc1OC ZINC000531743959 458970685 /nfs/dbraw/zinc/97/06/85/458970685.db2.gz RMMLWXBLFFTIEG-UHFFFAOYSA-N -1 0 347.411 3.167 20 30 EGEDRM C[C@@H](NC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1cccc(C#N)c1 ZINC000594529922 459081278 /nfs/dbraw/zinc/08/12/78/459081278.db2.gz VCKVJKIVKRBZKX-AVRGHOLYSA-N -1 0 343.427 3.054 20 30 EGEDRM CCOc1cc(CC(=O)[O-])c(-c2ccc(O)c(C#N)c2)cc1OCC ZINC000577768413 459093696 /nfs/dbraw/zinc/09/36/96/459093696.db2.gz ATHAFQWKZIAXJO-UHFFFAOYSA-N -1 0 341.363 3.355 20 30 EGEDRM CC[C@@H](C)Oc1cccc(S(=O)(=O)[N-]c2cc(CC#N)ccn2)c1 ZINC000594722084 459140144 /nfs/dbraw/zinc/14/01/44/459140144.db2.gz YAHVSHHGXTXVFS-CYBMUJFWSA-N -1 0 345.424 3.126 20 30 EGEDRM Cc1sc([N-]S(=O)(=O)c2cccc(CC#N)c2)nc1C(C)C ZINC000594726743 459142999 /nfs/dbraw/zinc/14/29/99/459142999.db2.gz SCKNAZBKUSTVPH-UHFFFAOYSA-N -1 0 335.454 3.442 20 30 EGEDRM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NC1(C2CC2)CC1 ZINC000594760553 459151891 /nfs/dbraw/zinc/15/18/91/459151891.db2.gz QVJNDNXOLLCDKW-UHFFFAOYSA-N -1 0 332.450 3.302 20 30 EGEDRM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000533445187 459237739 /nfs/dbraw/zinc/23/77/39/459237739.db2.gz HGRWJTVNJJLJNZ-WMZOPIPTSA-N -1 0 347.422 3.080 20 30 EGEDRM C=CCC[C@H](NC(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000580712455 459263341 /nfs/dbraw/zinc/26/33/41/459263341.db2.gz GSIOJBYABSINNM-OIISXLGYSA-N -1 0 330.428 3.446 20 30 EGEDRM C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCCCC(=O)[O-] ZINC000591353214 459360301 /nfs/dbraw/zinc/36/03/01/459360301.db2.gz ZTCWDLCXYZOMFA-LBPRGKRZSA-N -1 0 335.429 3.457 20 30 EGEDRM C[C@@H]1CN(c2c(Br)cc(Cl)cc2C#N)C[C@H]1C(=O)[O-] ZINC000595973150 459490156 /nfs/dbraw/zinc/49/01/56/459490156.db2.gz GEZTUEPFSSSLBQ-GMSGAONNSA-N -1 0 343.608 3.131 20 30 EGEDRM C=C[C@@H]1CCCCN1C(=O)N=c1[n-]nc(-c2ccc(OC)cc2)s1 ZINC000488605468 459548030 /nfs/dbraw/zinc/54/80/30/459548030.db2.gz HWXCLPDSWOMXAL-CYBMUJFWSA-N -1 0 344.440 3.208 20 30 EGEDRM N#CCCC1CCN(C(=O)c2cccc(Br)c2[O-])CC1 ZINC000583501809 459550101 /nfs/dbraw/zinc/55/01/01/459550101.db2.gz SQVFGYJJSARYDY-UHFFFAOYSA-N -1 0 337.217 3.311 20 30 EGEDRM C=CCN=c1[n-]nc(Sc2cc(C(F)F)nc(SC)n2)s1 ZINC000572015491 459575403 /nfs/dbraw/zinc/57/54/03/459575403.db2.gz PIMOWHMHNVPLLT-UHFFFAOYSA-N -1 0 347.441 3.159 20 30 EGEDRM N#Cc1cnc2c(Cl)cccc2c1NCC1(C(=O)[O-])CCOCC1 ZINC000592419106 459597257 /nfs/dbraw/zinc/59/72/57/459597257.db2.gz JMSWBKKWNFEJCT-UHFFFAOYSA-N -1 0 345.786 3.053 20 30 EGEDRM CCc1c(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)cnn1C ZINC000592974736 459726352 /nfs/dbraw/zinc/72/63/52/459726352.db2.gz YJCXKKCURWHSRO-SNVBAGLBSA-N -1 0 328.372 3.221 20 30 EGEDRM N#CC(=C([O-])c1ccc(C(N)=O)s1)c1nc2cc(F)ccc2s1 ZINC000592973224 459726565 /nfs/dbraw/zinc/72/65/65/459726565.db2.gz AWWZWLPFMIRHRU-MRVPVSSYSA-N -1 0 345.380 3.086 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)/C=C\c2ccc(OC(C)C)cc2)CC1 ZINC000493618808 459760463 /nfs/dbraw/zinc/76/04/63/459760463.db2.gz CAYZKNXKAIBEMY-YFHOEESVSA-N -1 0 349.452 3.042 20 30 EGEDRM C=CCN(C(=O)Nc1nc(C)cs1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000563669332 459767524 /nfs/dbraw/zinc/76/75/24/459767524.db2.gz MCCLVFFUCLAGKN-AWEZNQCLSA-N -1 0 345.424 3.167 20 30 EGEDRM COc1ccc(C(C)(C)C)cc1[N-]S(=O)(=O)c1cncc(C#N)c1 ZINC000589547506 460101906 /nfs/dbraw/zinc/10/19/06/460101906.db2.gz YKTKOLIMECTEAW-UHFFFAOYSA-N -1 0 345.424 3.060 20 30 EGEDRM CCCCc1n[n-]c(=NC(=O)N[C@H](C)c2cccc(C#N)c2)s1 ZINC000610319104 460118809 /nfs/dbraw/zinc/11/88/09/460118809.db2.gz UWYUUJINGZZPKO-LLVKDONJSA-N -1 0 329.429 3.057 20 30 EGEDRM CCN(Cc1ccc(C)cc1)C(=O)c1cc(C#N)c(SC)[n-]c1=O ZINC000603517604 460316143 /nfs/dbraw/zinc/31/61/43/460316143.db2.gz ALMURATVOSKUFC-UHFFFAOYSA-N -1 0 341.436 3.352 20 30 EGEDRM N#CC(=C([O-])c1cn(C2CC2)nn1)c1nc2cc(Cl)ccc2s1 ZINC000626300231 460469594 /nfs/dbraw/zinc/46/95/94/460469594.db2.gz SKVRJDNGKCZBBO-JTQLQIEISA-N -1 0 343.799 3.366 20 30 EGEDRM Cc1[n-]n(-c2ccc(OCC(F)(F)F)cc2)c(=O)c1CCC#N ZINC000601940820 460953055 /nfs/dbraw/zinc/95/30/55/460953055.db2.gz SWUZYLVUXDWALS-CYBMUJFWSA-N -1 0 325.290 3.270 20 30 EGEDRM CCn1cc(C([O-])=C(C#N)c2cnc3ccccc3n2)c(C2CC2)n1 ZINC000633979599 461368824 /nfs/dbraw/zinc/36/88/24/461368824.db2.gz CAAVKZALSDSVMI-ZDUSSCGKSA-N -1 0 331.379 3.214 20 30 EGEDRM C=CCC(C)(C)CNC(=O)N=c1[n-]nc(Cc2ccccc2)s1 ZINC000644974619 462147012 /nfs/dbraw/zinc/14/70/12/462147012.db2.gz YHIAZTDHIKQGFG-UHFFFAOYSA-N -1 0 330.457 3.275 20 30 EGEDRM CC(C)N(CCC(=O)[O-])C(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC000678976656 549607400 /nfs/dbraw/zinc/60/74/00/549607400.db2.gz DAFNCMRACYPYKW-UHFFFAOYSA-N -1 0 335.403 3.412 20 30 EGEDRM CCOc1nc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)co1 ZINC000681356577 549985509 /nfs/dbraw/zinc/98/55/09/549985509.db2.gz FKUOMKIHZSQMSW-SECBINFHSA-N -1 0 331.328 3.312 20 30 EGEDRM C=C[C@@H](CC(=O)NCc1nc(C)c(C(=O)[O-])s1)c1ccccc1 ZINC000683324850 550217920 /nfs/dbraw/zinc/21/79/20/550217920.db2.gz PPNMGDREDWPJEL-LBPRGKRZSA-N -1 0 330.409 3.126 20 30 EGEDRM O=C(C/N=C/c1cc(Cl)ccc1O)N1CCc2ccccc2C1 ZINC000726428398 574552740 /nfs/dbraw/zinc/55/27/40/574552740.db2.gz AGXCVELRTMXQKH-KEBDBYFISA-N -1 0 328.799 3.049 20 30 EGEDRM CC(N=Nc1ccc(Br)cn1)c1ccc(CC(=O)[O-])cc1 ZINC000727263076 574657135 /nfs/dbraw/zinc/65/71/35/574657135.db2.gz MALOTDREDBOUNS-UHFFFAOYSA-N -1 0 348.200 3.307 20 30 EGEDRM CCOC(=O)C1(C/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])CCC1 ZINC000740763777 574815712 /nfs/dbraw/zinc/81/57/12/574815712.db2.gz OYNGMHJCHDQKBG-CAOOACKPSA-N -1 0 340.763 3.106 20 30 EGEDRM COc1cc(/C=C2/Cc3ccc(C)cc3C2=O)ccc1OCC(=O)[O-] ZINC000730948470 575038549 /nfs/dbraw/zinc/03/85/49/575038549.db2.gz FUOXVDYAMRHBHW-NVNXTCNLSA-N -1 0 338.359 3.289 20 30 EGEDRM C#CCOc1cccc([N-]S(=O)(=O)c2ccc(F)cc2Cl)c1 ZINC000730995733 575042652 /nfs/dbraw/zinc/04/26/52/575042652.db2.gz JGZZXQNGMWKPDV-UHFFFAOYSA-N -1 0 339.775 3.292 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc2[nH]c(C(F)F)nc2c1 ZINC000732494726 575272312 /nfs/dbraw/zinc/27/23/12/575272312.db2.gz KYZFPDZNXAQALV-NSHDSACASA-N -1 0 348.353 3.129 20 30 EGEDRM C=CCOc1ccc(C(=O)OCc2ccc(F)cc2C(=O)[O-])cc1 ZINC000736113725 575900178 /nfs/dbraw/zinc/90/01/78/575900178.db2.gz BHHQFNTYHOARTL-UHFFFAOYSA-N -1 0 330.311 3.446 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1ccc(Cl)cn1 ZINC000736113904 575900294 /nfs/dbraw/zinc/90/02/94/575900294.db2.gz DKWOCXKHOLADCD-UHFFFAOYSA-N -1 0 347.754 3.390 20 30 EGEDRM C=CCn1c(SCc2cc(C(=O)[O-])co2)nnc1-c1ccco1 ZINC000736116639 575901188 /nfs/dbraw/zinc/90/11/88/575901188.db2.gz CTSPKAPSHHNFNK-UHFFFAOYSA-N -1 0 331.353 3.308 20 30 EGEDRM C=CCn1c(=O)c2ccsc2nc1SCc1cc(C(=O)[O-])co1 ZINC000736117568 575901393 /nfs/dbraw/zinc/90/13/93/575901393.db2.gz LPFWYMMMHOCXQO-UHFFFAOYSA-N -1 0 348.405 3.228 20 30 EGEDRM CC(=O)Nc1ccc(N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1Cl ZINC000736160289 575905855 /nfs/dbraw/zinc/90/58/55/575905855.db2.gz VNOGQKHVCHKIRK-MRXNPFEDSA-N -1 0 343.770 3.408 20 30 EGEDRM CC(=O)Nc1ccc(C(C)=NOCc2ccc(F)cc2C(=O)[O-])cc1 ZINC000736162916 575906167 /nfs/dbraw/zinc/90/61/67/575906167.db2.gz XQHMCGPYIUUOLY-UHFFFAOYSA-N -1 0 344.342 3.423 20 30 EGEDRM CC(C)C(=O)Nc1cccc(N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000736347190 575941188 /nfs/dbraw/zinc/94/11/88/575941188.db2.gz GBWNTVYNWGRBCH-QGZVFWFLSA-N -1 0 337.379 3.391 20 30 EGEDRM CC(C)c1ccccc1NC(=S)NN=Cc1ccoc1C(=O)[O-] ZINC000736522343 575976975 /nfs/dbraw/zinc/97/69/75/575976975.db2.gz DSTYVNPTUDYXJK-UHFFFAOYSA-N -1 0 331.397 3.422 20 30 EGEDRM C[C@@H](NC(=O)Nc1ccc(F)c(C(=O)[O-])c1)c1ccc(C#N)cc1 ZINC000736649261 575996420 /nfs/dbraw/zinc/99/64/20/575996420.db2.gz PXXMGLWDNWMRSO-SNVBAGLBSA-N -1 0 327.315 3.278 20 30 EGEDRM CC[C@@](C)(NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)C(=O)[O-] ZINC000736860862 576050536 /nfs/dbraw/zinc/05/05/36/576050536.db2.gz BJYVKUVKPLCMBR-LJQANCHMSA-N -1 0 338.363 3.334 20 30 EGEDRM Cc1cc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)c2ccccc2n1 ZINC000738348126 576316003 /nfs/dbraw/zinc/31/60/03/576316003.db2.gz XNTKBBJQGLINGP-SFHVURJKSA-N -1 0 346.342 3.398 20 30 EGEDRM N#CCSCC(=O)Nc1scc(-c2ccccc2)c1C(=O)[O-] ZINC000738427040 576324627 /nfs/dbraw/zinc/32/46/27/576324627.db2.gz WHBZWTRTHQMTEC-UHFFFAOYSA-N -1 0 332.406 3.309 20 30 EGEDRM N#Cc1cccc(OCCCCC(=O)Nc2ccc(C(=O)[O-])cc2)c1 ZINC000738433551 576325563 /nfs/dbraw/zinc/32/55/63/576325563.db2.gz IJVJEMCISXJXES-UHFFFAOYSA-N -1 0 338.363 3.444 20 30 EGEDRM Cn1cc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)c2ccccc21 ZINC000739028448 576374987 /nfs/dbraw/zinc/37/49/87/576374987.db2.gz WMVYEEUMDQZJLM-KRWDZBQOSA-N -1 0 334.331 3.033 20 30 EGEDRM N#CC(CCOC(=O)[C@@H]1C[C@H]1C(=O)[O-])(c1ccccc1)c1ccccc1 ZINC000739075323 576376851 /nfs/dbraw/zinc/37/68/51/576376851.db2.gz RFZYGIFGHSELQN-QZTJIDSGSA-N -1 0 349.386 3.150 20 30 EGEDRM N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCCNC(=O)[O-])cc1 ZINC000739075905 576376992 /nfs/dbraw/zinc/37/69/92/576376992.db2.gz VTXJZJHPDJQXQC-QGZVFWFLSA-N -1 0 337.379 3.328 20 30 EGEDRM N#CCOc1ccc(Cl)cc1COC(=O)c1cccc(C(=O)[O-])c1 ZINC000739086549 576377184 /nfs/dbraw/zinc/37/71/84/576377184.db2.gz AUCOHCKPKFHXTA-UHFFFAOYSA-N -1 0 345.738 3.298 20 30 EGEDRM N#CCc1ccccc1C(=O)O[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000739091598 576377479 /nfs/dbraw/zinc/37/74/79/576377479.db2.gz GTHXLFBMICWQFI-OAHLLOKOSA-N -1 0 329.739 3.389 20 30 EGEDRM N#Cc1c(NC(=O)CCc2ccc(C(=O)[O-])cc2)sc2c1CCC2 ZINC000739093357 576377654 /nfs/dbraw/zinc/37/76/54/576377654.db2.gz QHJVFGSQDBJLLJ-UHFFFAOYSA-N -1 0 340.404 3.378 20 30 EGEDRM N#Cc1ccc([C@H](Nc2ccc3c(c2)CCCC(=O)N3)C(=O)[O-])cc1 ZINC000739112386 576378541 /nfs/dbraw/zinc/37/85/41/576378541.db2.gz ZHWATGVDOWFDFR-SFHVURJKSA-N -1 0 335.363 3.071 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)Cc2ccc3c(c2)CCCC3)C(=O)[O-])cc1 ZINC000739114307 576378719 /nfs/dbraw/zinc/37/87/19/576378719.db2.gz GDWASWDLJXXEHZ-FQEVSTJZSA-N -1 0 349.386 3.349 20 30 EGEDRM N#Cc1ccccc1/C=C\C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000739140669 576379488 /nfs/dbraw/zinc/37/94/88/576379488.db2.gz XEFUJKAPYHPXIH-ZBTGYSDGSA-N -1 0 332.359 3.177 20 30 EGEDRM N#Cc1ccccc1N(Cc1ccccc1)C(=O)CCCNC(=O)[O-] ZINC000739146990 576379731 /nfs/dbraw/zinc/37/97/31/576379731.db2.gz NPANROCWCZLCPQ-UHFFFAOYSA-N -1 0 337.379 3.139 20 30 EGEDRM O=C([O-])[C@H]1CCCN(C(=O)Nc2cccc(C#Cc3ccccc3)c2)C1 ZINC000739578841 576431521 /nfs/dbraw/zinc/43/15/21/576431521.db2.gz JCYDBTXUDZPBBV-SFHVURJKSA-N -1 0 348.402 3.415 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@@H](C)c2cccc(C)c2)n1 ZINC000740346146 576578053 /nfs/dbraw/zinc/57/80/53/576578053.db2.gz FBSOFNKTUBOHOF-ZFWWWQNUSA-N -1 0 342.420 3.283 20 30 EGEDRM COc1ccc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)cc1C#N ZINC000741759128 576717803 /nfs/dbraw/zinc/71/78/03/576717803.db2.gz GJKYQYACJYZLFR-UHFFFAOYSA-N -1 0 329.743 3.364 20 30 EGEDRM CC(C)(C)OC(=O)NC[C@H]1CCCC1N=Nc1ccc(C(=O)[O-])cc1 ZINC000741760339 576718214 /nfs/dbraw/zinc/71/82/14/576718214.db2.gz YDERFIWCAOICII-CYBMUJFWSA-N -1 0 347.415 3.478 20 30 EGEDRM COc1cc(/C=C\C(=O)c2ccc3c(c2)COC3)cc([N+](=O)[O-])c1[O-] ZINC000742438051 576784338 /nfs/dbraw/zinc/78/43/38/576784338.db2.gz ZFZVTOUIMWKWRU-DJWKRKHSSA-N -1 0 341.319 3.235 20 30 EGEDRM N#Cc1cnc2c(F)ccc(F)c2c1N1CCC[C@@H](CC(=O)[O-])C1 ZINC000819111595 597051708 /nfs/dbraw/zinc/05/17/08/597051708.db2.gz ZLODXPSBQPYNAB-JTQLQIEISA-N -1 0 331.322 3.076 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)OCc1nc2ccccc2c2ccccc12 ZINC000819873597 597621727 /nfs/dbraw/zinc/62/17/27/597621727.db2.gz BXLXTLKYUKGZJE-HXUWFJFHSA-N -1 0 348.358 3.436 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000819857039 598223158 /nfs/dbraw/zinc/22/31/58/598223158.db2.gz QVUVPXVVWWBPIH-KRWDZBQOSA-N -1 0 344.367 3.061 20 30 EGEDRM CCCN(Cc1c(F)cccc1Cl)C(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000820321268 598223743 /nfs/dbraw/zinc/22/37/43/598223743.db2.gz PNLBYHJLHLSIMT-INIZCTEOSA-N -1 0 340.782 3.222 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1cccc(N2CCCCCC2)c1 ZINC000819857388 598228429 /nfs/dbraw/zinc/22/84/29/598228429.db2.gz WMQWOMYNXQTOOQ-SFHVURJKSA-N -1 0 329.400 3.010 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000819849153 598230875 /nfs/dbraw/zinc/23/08/75/598230875.db2.gz XUPPJXUZWFDTNS-LBPRGKRZSA-N -1 0 345.580 3.046 20 30 EGEDRM O=C([O-])c1ccc(C=CC(=O)c2ccc(C(F)(F)F)[nH]c2=O)cc1 ZINC000606442841 600029147 /nfs/dbraw/zinc/02/91/47/600029147.db2.gz YWJRPYCEUFLQKF-CLTKARDFSA-N -1 0 337.253 3.400 20 30 EGEDRM N#Cc1ccc(F)c(COC(=O)CCc2ccc(C(=O)[O-])cc2)c1 ZINC000739117379 600091402 /nfs/dbraw/zinc/09/14/02/600091402.db2.gz DTLLQLGAFJBMSF-UHFFFAOYSA-N -1 0 327.311 3.072 20 30 EGEDRM N#Cc1ccc([C@@H](OC(=O)c2cc3occc3s2)C(=O)[O-])cc1 ZINC000739114003 600618898 /nfs/dbraw/zinc/61/88/98/600618898.db2.gz FBLHQZUJQAUGDU-CQSZACIVSA-N -1 0 327.317 3.349 20 30 EGEDRM Cc1nn(CCC(=O)[O-])c(C)c1C=NNc1c(C)cc(C)cc1C ZINC000832874534 600724335 /nfs/dbraw/zinc/72/43/35/600724335.db2.gz LYMWQYCTBHZONV-UHFFFAOYSA-N -1 0 328.416 3.346 20 30 EGEDRM C=CCOc1ccc(OS(=O)(=O)c2cccc(C(=O)[O-])c2C)cc1 ZINC000825702647 600794292 /nfs/dbraw/zinc/79/42/92/600794292.db2.gz QZZAMZLSTNNRTK-UHFFFAOYSA-N -1 0 348.376 3.026 20 30 EGEDRM N#CCCCC[S@](=O)Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000833065442 600830265 /nfs/dbraw/zinc/83/02/65/600830265.db2.gz CZYOHPYUEXFYNQ-QHCPKHFHSA-N -1 0 348.449 3.451 20 30 EGEDRM CCOc1ccc(N(CCC#N)C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000830079946 600838226 /nfs/dbraw/zinc/83/82/26/600838226.db2.gz DMBTWOAHKKIDDN-CABCVRRESA-N -1 0 344.411 3.223 20 30 EGEDRM C[C@H](C(=O)[O-])[C@@H](NC(=O)CCc1ccc(C#N)cc1)c1ccccc1 ZINC000826031316 601295045 /nfs/dbraw/zinc/29/50/45/601295045.db2.gz LXFQGGVYZBMHMJ-IFXJQAMLSA-N -1 0 336.391 3.069 20 30 EGEDRM N#Cc1cccc([C@@H](NCc2coc(-c3cccs3)n2)C(=O)[O-])c1 ZINC000833075715 601299941 /nfs/dbraw/zinc/29/99/41/601299941.db2.gz NICFIMBIHAPVQR-OAHLLOKOSA-N -1 0 339.376 3.190 20 30 EGEDRM N#Cc1cccc([C@H](Nc2cccc(Cn3cccn3)c2)C(=O)[O-])c1 ZINC000833074882 601299957 /nfs/dbraw/zinc/29/99/57/601299957.db2.gz FYTHJCXSOCSPGA-SFHVURJKSA-N -1 0 332.363 3.041 20 30 EGEDRM Cc1ccccc1[C@@H]1CN([C@H](C(=O)[O-])c2cccc(C#N)c2)CCO1 ZINC000832977876 601320696 /nfs/dbraw/zinc/32/06/96/601320696.db2.gz WHWLMOUBLHDXAM-OALUTQOASA-N -1 0 336.391 3.066 20 30 EGEDRM CCc1ccc(CCC(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000830244919 601344892 /nfs/dbraw/zinc/34/48/92/601344892.db2.gz LRSFQTQWWJLSNL-IBGZPJMESA-N -1 0 337.375 3.422 20 30 EGEDRM N#Cc1cccc([C@@H](OC(=O)c2cccc(-n3cccc3)c2)C(=O)[O-])c1 ZINC000833076894 601346909 /nfs/dbraw/zinc/34/69/09/601346909.db2.gz JENKJSLQMXYPLF-GOSISDBHSA-N -1 0 346.342 3.332 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)c2cccc3cnccc32)C(=O)[O-])cc1 ZINC000833072489 601467687 /nfs/dbraw/zinc/46/76/87/601467687.db2.gz NJFDHRCPHPPDTB-KRWDZBQOSA-N -1 0 332.315 3.089 20 30 EGEDRM O=C([O-])c1cc(OCC#Cc2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000833300294 601577522 /nfs/dbraw/zinc/57/75/22/601577522.db2.gz BISGVXGIZKSZRH-UHFFFAOYSA-N -1 0 331.711 3.377 20 30 EGEDRM C[C@H](CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)C(=O)[O-] ZINC000827486370 601617459 /nfs/dbraw/zinc/61/74/59/601617459.db2.gz NEMXYOJMQSYMGH-DYVFJYSZSA-N -1 0 337.379 3.184 20 30 EGEDRM C=CCOc1ccc(C(=O)Nc2nc(CCCC(=O)[O-])cs2)cc1 ZINC000325305287 601746406 /nfs/dbraw/zinc/74/64/06/601746406.db2.gz WYZMUPUALYNHLZ-UHFFFAOYSA-N -1 0 346.408 3.368 20 30 EGEDRM C[C@@H]1CN(C(=O)Nc2cccc(C#Cc3ccccc3)c2)C[C@@H]1C(=O)[O-] ZINC000828377460 601775423 /nfs/dbraw/zinc/77/54/23/601775423.db2.gz JPKUTJNQPHOKNX-BEFAXECRSA-N -1 0 348.402 3.271 20 30 EGEDRM CC(C)NC(=O)Nc1ccc(C(=O)/C=C\c2c[nH]c(C(=O)[O-])c2)cc1 ZINC000826976299 601791832 /nfs/dbraw/zinc/79/18/32/601791832.db2.gz QXBNDZJJGKWQLT-BAQGIRSFSA-N -1 0 341.367 3.139 20 30 EGEDRM N#Cc1cc(F)ccc1NC(=O)N[C@H]1CCCCCC[C@@H]1C(=O)[O-] ZINC000833069482 602047369 /nfs/dbraw/zinc/04/73/69/602047369.db2.gz ACXORVBVPZSHLK-ZFWWWQNUSA-N -1 0 333.363 3.242 20 30 EGEDRM C=CCCS(=O)(=O)Oc1cc(-c2ccccc2)sc1C(=O)[O-] ZINC000825675805 602207365 /nfs/dbraw/zinc/20/73/65/602207365.db2.gz GWWTVFKAMLJLGC-UHFFFAOYSA-N -1 0 338.406 3.398 20 30 EGEDRM C=CCn1c(SCc2ccoc2C(=O)[O-])nnc1-c1ccccn1 ZINC000825711120 602242859 /nfs/dbraw/zinc/24/28/59/602242859.db2.gz PMWRONUQSCZVTM-UHFFFAOYSA-N -1 0 342.380 3.110 20 30 EGEDRM Cc1oc(C(=O)[O-])cc1COc1ccc(Br)cc1C#N ZINC000161757185 602306858 /nfs/dbraw/zinc/30/68/58/602306858.db2.gz XBYOTPNLJPSOCX-UHFFFAOYSA-N -1 0 336.141 3.499 20 30 EGEDRM C#CCOc1cc(F)ccc1NC(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000825625980 602379998 /nfs/dbraw/zinc/37/99/98/602379998.db2.gz RVSWRKWXJWANGM-UHFFFAOYSA-N -1 0 346.289 3.319 20 30 EGEDRM CC(C)Cc1nc(-c2nnn[n-]2)c(N=NC2CCC[C@@H]2C(C)C)o1 ZINC000824280606 607652718 /nfs/dbraw/zinc/65/27/18/607652718.db2.gz QJFZTSNOVPFTLL-LLVKDONJSA-N -1 0 331.424 3.277 20 30 EGEDRM N#C[C@@H](NC(=O)c1ccc(C(=O)[O-])c(F)c1)c1ccc(Cl)cc1 ZINC000833064983 604310473 /nfs/dbraw/zinc/31/04/73/604310473.db2.gz POIFZIUZNMXMTC-CQSZACIVSA-N -1 0 332.718 3.172 20 30 EGEDRM C=CCN(CCc1ccccc1)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC000825682338 604322407 /nfs/dbraw/zinc/32/24/07/604322407.db2.gz XTONLJQQFQTSOD-UHFFFAOYSA-N -1 0 325.368 3.042 20 30 EGEDRM C=CCNc1ncc(C(=O)O[C@H](C)c2cc(C)c(C(=O)[O-])o2)s1 ZINC000825692175 604432795 /nfs/dbraw/zinc/43/27/95/604432795.db2.gz LRZWCZPQYOQIIJ-SECBINFHSA-N -1 0 336.369 3.259 20 30 EGEDRM CCC(CC)n1ccc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)n1 ZINC000828869988 604434352 /nfs/dbraw/zinc/43/43/52/604434352.db2.gz IQEZIDWGDMKSNU-INIZCTEOSA-N -1 0 341.367 3.099 20 30 EGEDRM Cc1ccc(C)c(N2CCN([C@@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)c1 ZINC000832925823 604505660 /nfs/dbraw/zinc/50/56/60/604505660.db2.gz DMUXNZFJGJGRDD-HXUWFJFHSA-N -1 0 349.434 3.123 20 30 EGEDRM C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1Cc1cccc(C(=O)[O-])c1C#N ZINC000833632584 604538093 /nfs/dbraw/zinc/53/80/93/604538093.db2.gz MPRDYYZXEYZZDX-NSHDSACASA-N -1 0 337.335 3.116 20 30 EGEDRM C=CCOc1cccc(NC(=O)NCCc2cccc(C(=O)[O-])c2)c1 ZINC000833378876 604583535 /nfs/dbraw/zinc/58/35/35/604583535.db2.gz PTQWLRMDNKYUEJ-UHFFFAOYSA-N -1 0 340.379 3.314 20 30 EGEDRM O=C([O-])c1ccc(C(=O)/C=C/c2ccc(-n3cncn3)c(F)c2)cc1 ZINC000833310038 604628333 /nfs/dbraw/zinc/62/83/33/604628333.db2.gz LSAOZUSOIHJGEL-KRXBUXKQSA-N -1 0 337.310 3.001 20 30 EGEDRM COc1cc(OC)c(C(C)N=Nc2ccc(C(=O)[O-])cn2)cc1Cl ZINC000763377211 604669189 /nfs/dbraw/zinc/66/91/89/604669189.db2.gz LYPZBLOIDUVUQK-UHFFFAOYSA-N -1 0 349.774 3.287 20 30 EGEDRM C=C[C@@H](CC(=O)N(C)c1nc(CC(=O)[O-])cs1)c1ccccc1 ZINC000833371071 604748312 /nfs/dbraw/zinc/74/83/12/604748312.db2.gz LJSYIMYEFZJLBA-LBPRGKRZSA-N -1 0 330.409 3.093 20 30 EGEDRM C=CCn1c(SC/C=C(\C)C(=O)[O-])nnc1-c1cccc(OC)c1 ZINC000825711065 604752285 /nfs/dbraw/zinc/75/22/85/604752285.db2.gz NHHWMRGUNAYIDR-XYOKQWHBSA-N -1 0 345.424 3.263 20 30 EGEDRM CCOc1cc(C#N)ccc1OC(=O)CCc1ccccc1C(=O)[O-] ZINC000833661681 604765876 /nfs/dbraw/zinc/76/58/76/604765876.db2.gz VEOZLDRTOVBVTI-UHFFFAOYSA-N -1 0 339.347 3.193 20 30 EGEDRM Cc1cc(NC(=O)N(CCC#N)Cc2ccco2)ccc1C(=O)[O-] ZINC000821018661 604954371 /nfs/dbraw/zinc/95/43/71/604954371.db2.gz GDYHKPODOGADEW-UHFFFAOYSA-N -1 0 327.340 3.234 20 30 EGEDRM C#CC[C@@H](NC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1)c1ccccc1 ZINC000833360951 604988836 /nfs/dbraw/zinc/98/88/36/604988836.db2.gz UCKPGLZTWWEUCG-DLBZAZTESA-N -1 0 342.439 3.283 20 30 EGEDRM C=CCCC[C@@H](C)NC(=O)C(=O)Nc1ccc(C(C)C)cc1C(=O)[O-] ZINC000833373732 605057518 /nfs/dbraw/zinc/05/75/18/605057518.db2.gz ZPLZYAOAUPZZIH-CYBMUJFWSA-N -1 0 346.427 3.308 20 30 EGEDRM CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(C#N)[nH]2)cc1 ZINC000833450315 605069217 /nfs/dbraw/zinc/06/92/17/605069217.db2.gz OFWCMBYYWJSYMZ-MRXNPFEDSA-N -1 0 339.395 3.130 20 30 EGEDRM C=CCOCCCC(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000833375771 605093246 /nfs/dbraw/zinc/09/32/46/605093246.db2.gz KUPXVQXAXKRJRW-UHFFFAOYSA-N -1 0 342.189 3.069 20 30 EGEDRM C=CCN(C(=O)Nc1ccc(Br)c(C(=O)[O-])c1)C1CC1 ZINC000162379847 605126320 /nfs/dbraw/zinc/12/63/20/605126320.db2.gz KDLWMTIJTRONGZ-UHFFFAOYSA-N -1 0 339.189 3.330 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1ncccc1CC ZINC000833380233 605149025 /nfs/dbraw/zinc/14/90/25/605149025.db2.gz ZGQIAKYEVWEPEA-UHFFFAOYSA-N -1 0 341.363 3.299 20 30 EGEDRM C=CCOc1cccnc1C(=O)Oc1cc(C(=O)[O-])cc(F)c1C ZINC000833378266 605154318 /nfs/dbraw/zinc/15/43/18/605154318.db2.gz CFRPCLPLXOUGAO-UHFFFAOYSA-N -1 0 331.299 3.011 20 30 EGEDRM C[C@]1(NC(=O)c2ccc(C3(C#N)CC3)cc2)CCCC[C@@H]1C(=O)[O-] ZINC000833567266 605221400 /nfs/dbraw/zinc/22/14/00/605221400.db2.gz KEOSRJZUFTWUBL-QAPCUYQASA-N -1 0 326.396 3.005 20 30 EGEDRM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1ccc(Cl)c(C#N)c1)c1ccccc1 ZINC000833413746 605264600 /nfs/dbraw/zinc/26/46/00/605264600.db2.gz ZLPPJMSLNGMJLE-MEDUHNTESA-N -1 0 342.782 3.403 20 30 EGEDRM COc1ccc2nc(NN=Cc3ccoc3C(=O)[O-])c(C)cc2c1 ZINC000833734962 605287958 /nfs/dbraw/zinc/28/79/58/605287958.db2.gz NQAOJNVUVPIXPM-UHFFFAOYSA-N -1 0 325.324 3.289 20 30 EGEDRM CC(=NNCCCc1ccccc1)c1ccccc1OCC(=O)[O-] ZINC000833386707 605330256 /nfs/dbraw/zinc/33/02/56/605330256.db2.gz UDNQHKKZJWILNF-UHFFFAOYSA-N -1 0 326.396 3.096 20 30 EGEDRM C=CCCCC(=O)N[C@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000825671638 605378125 /nfs/dbraw/zinc/37/81/25/605378125.db2.gz YHMZMHMHXGJYPM-CYBMUJFWSA-N -1 0 340.217 3.437 20 30 EGEDRM C=C[C@@H](CC(=O)N(C)c1ccc(OCC(=O)[O-])cc1)c1ccccc1 ZINC000833371415 605456793 /nfs/dbraw/zinc/45/67/93/605456793.db2.gz PTWVFGBWMIIOKS-HNNXBMFYSA-N -1 0 339.391 3.473 20 30 EGEDRM Cc1ccc(C[C@@H](C)C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000833749037 605460045 /nfs/dbraw/zinc/46/00/45/605460045.db2.gz ZXSKZSWQUHLWAZ-KDOFPFPSSA-N -1 0 337.375 3.414 20 30 EGEDRM Cc1ccc(C[C@H](C)C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000833748435 605460453 /nfs/dbraw/zinc/46/04/53/605460453.db2.gz MZXXHYAGANHNNC-KSSFIOAISA-N -1 0 337.375 3.414 20 30 EGEDRM Cc1nc(-c2nnn[n-]2)c(N=NCCCCc2ccc(C)c(C)c2)o1 ZINC000826323277 609468047 /nfs/dbraw/zinc/46/80/47/609468047.db2.gz XYUSAYUSXAARNP-UHFFFAOYSA-N -1 0 339.403 3.201 20 30 EGEDRM Cc1ccc(C(=O)/C=C/c2ccc([O-])c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000035713509 1291393449 /nfs/dbraw/zinc/39/34/49/1291393449.db2.gz TUOUJZROQPEUBK-ZZXKWVIFSA-N -1 0 328.280 3.413 20 30 EGEDRM CCn1cc(C(=O)[N-]S(=O)(=O)c2cccs2)c2ccccc21 ZINC000042243331 1291437348 /nfs/dbraw/zinc/43/73/48/1291437348.db2.gz HVGOMZFXQIXBBC-UHFFFAOYSA-N -1 0 334.422 3.416 20 30 EGEDRM O=C(Cc1c(F)cccc1Cl)[N-]S(=O)(=O)c1ccccc1 ZINC000046708550 1291551513 /nfs/dbraw/zinc/55/15/13/1291551513.db2.gz UEPNQQOJNSJYSW-UHFFFAOYSA-N -1 0 327.764 3.367 20 30 EGEDRM O=C([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cc2ccccc2o1 ZINC000046927764 1291556514 /nfs/dbraw/zinc/55/65/14/1291556514.db2.gz WGLGLGAMEPKHAJ-UHFFFAOYSA-N -1 0 346.320 3.035 20 30 EGEDRM O=C(C=Cc1cccs1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000046927691 1291556959 /nfs/dbraw/zinc/55/69/59/1291556959.db2.gz UDWITBLHVFBGQC-BQYQJAHWSA-N -1 0 338.366 3.015 20 30 EGEDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)CCc1ccc(C#N)cc1 ZINC000048425297 1291604745 /nfs/dbraw/zinc/60/47/45/1291604745.db2.gz XZZVZLVZWNUCPP-UHFFFAOYSA-N -1 0 328.393 3.145 20 30 EGEDRM CS(=O)(=O)[N-]C(=O)c1oc2ccccc2c1COc1ccccc1 ZINC000048479412 1291606716 /nfs/dbraw/zinc/60/67/16/1291606716.db2.gz ZJJGTUWMHRPSFM-UHFFFAOYSA-N -1 0 345.376 3.276 20 30 EGEDRM O=C([N-]S(=O)(=O)c1ccccc1Br)c1ccsc1 ZINC000048519590 1291608903 /nfs/dbraw/zinc/60/89/03/1291608903.db2.gz RBHRCXDLYUNWFL-UHFFFAOYSA-N -1 0 346.227 3.204 20 30 EGEDRM C[C@H](Oc1cccc(F)c1)C(=O)[N-]S(=O)(=O)c1ccccc1F ZINC000048592704 1291612115 /nfs/dbraw/zinc/61/21/15/1291612115.db2.gz BRSVKUXBXJRTND-JTQLQIEISA-N -1 0 341.335 3.078 20 30 EGEDRM Cn1cc(C(=O)[N-]S(=O)(=O)c2ccccc2F)c2ccccc21 ZINC000048588147 1291612130 /nfs/dbraw/zinc/61/21/30/1291612130.db2.gz NSEDOSMVYFHXHI-UHFFFAOYSA-N -1 0 332.356 3.011 20 30 EGEDRM COc1ccccc1CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000048612306 1291613892 /nfs/dbraw/zinc/61/38/92/1291613892.db2.gz ICYVPWUKGWPZTG-UHFFFAOYSA-N -1 0 345.420 3.072 20 30 EGEDRM CN(Cc1ccccc1)S(=O)(=O)[N-]C(=O)C=Cc1cccc(F)c1 ZINC000048676881 1291615960 /nfs/dbraw/zinc/61/59/60/1291615960.db2.gz LPZZAGXZNVJAEH-ZHACJKMWSA-N -1 0 348.399 3.172 20 30 EGEDRM CSC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000067002755 1292138630 /nfs/dbraw/zinc/13/86/30/1292138630.db2.gz NOKHIOQCGIEPIM-ZETCQYMHSA-N -1 0 325.814 3.123 20 30 EGEDRM CCCCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(CCC)cc1 ZINC000068490773 1292204971 /nfs/dbraw/zinc/20/49/71/1292204971.db2.gz GKURJBDWGLLWFE-ZDUSSCGKSA-N -1 0 327.446 3.490 20 30 EGEDRM CCO[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000069641973 1292246689 /nfs/dbraw/zinc/24/66/89/1292246689.db2.gz SQSCUTSWKFLOKQ-WDSKDSINSA-N -1 0 344.241 3.125 20 30 EGEDRM CCc1ccc([C@H](C)C(=O)[N-]S(=O)(=O)C[C@@H]2CCCCO2)cc1 ZINC000070036550 1292254346 /nfs/dbraw/zinc/25/43/46/1292254346.db2.gz BWESVINFAUGFIC-BBRMVZONSA-N -1 0 339.457 3.208 20 30 EGEDRM O=C([N-]S(=O)(=O)c1ccc(Cl)cc1)[C@@H]1COc2ccccc21 ZINC000073086701 1292304295 /nfs/dbraw/zinc/30/42/95/1292304295.db2.gz KDWCBRANTPHJKJ-CYBMUJFWSA-N -1 0 337.784 3.161 20 30 EGEDRM COc1cccc(S(=O)(=O)[N-]C(=O)c2coc3ccccc23)c1 ZINC000073288978 1292312702 /nfs/dbraw/zinc/31/27/02/1292312702.db2.gz CRSRGOHKOXVBEG-UHFFFAOYSA-N -1 0 331.349 3.135 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)CCC(=O)c2ccccc2)c(F)c1 ZINC000075040430 1292380334 /nfs/dbraw/zinc/38/03/34/1292380334.db2.gz RJRZJSMXHPQARK-UHFFFAOYSA-N -1 0 349.383 3.442 20 30 EGEDRM CCCCN(CCCC)S(=O)(=O)[N-]C(=O)c1cc(OC)cs1 ZINC000080288090 1292593525 /nfs/dbraw/zinc/59/35/25/1292593525.db2.gz GJRHUIUGDNKRGC-UHFFFAOYSA-N -1 0 348.490 3.208 20 30 EGEDRM CC(C)c1csc(C(C#N)=C([O-])[C@H]2Cc3ccccc3C(=O)O2)n1 ZINC000080453977 1292604016 /nfs/dbraw/zinc/60/40/16/1292604016.db2.gz ADSOFFWXYIJVPF-DZGCQCFKSA-N -1 0 340.404 3.224 20 30 EGEDRM CC=C(C)C(=O)[N-]S(=O)(=O)c1ccc(OC)c(Br)c1 ZINC000089970227 1292782369 /nfs/dbraw/zinc/78/23/69/1292782369.db2.gz WTMWIWUOZCVPRP-XBXARRHUSA-N -1 0 348.218 3.069 20 30 EGEDRM COc1ccc(S(=O)(=O)[N-]C(=O)C2(Cc3ccccc3)CC2)cc1 ZINC000092693739 1292883647 /nfs/dbraw/zinc/88/36/47/1292883647.db2.gz WTVUUQJYHUUROO-UHFFFAOYSA-N -1 0 345.420 3.363 20 30 EGEDRM C=CCn1c(=O)c2ccc(C(=O)NCC(CC)CC)cc2[n-]c1=S ZINC000104550049 1293024644 /nfs/dbraw/zinc/02/46/44/1293024644.db2.gz SWVLUCPNMWRKHC-UHFFFAOYSA-N -1 0 345.468 3.411 20 30 EGEDRM O=C([O-])c1ccc(N=NCC[C@H]2CCCCC23OCCO3)cc1F ZINC000835008846 1293186716 /nfs/dbraw/zinc/18/67/16/1293186716.db2.gz JVRGMLSKRVRARP-GFCCVEGCSA-N -1 0 336.363 3.245 20 30 EGEDRM CC(CCc1ccc(O[C@@H](C)C(=O)[O-])cc1)=NN[C@H]1CCOC1(C)C ZINC000835020648 1293189247 /nfs/dbraw/zinc/18/92/47/1293189247.db2.gz JEVOTIXSMAGYAL-YOEHRIQHSA-N -1 0 348.443 3.004 20 30 EGEDRM CCC(CC)Oc1ccc(C([O-])=C(C#N)C(=O)c2nccn2C)cc1 ZINC000835236347 1293239358 /nfs/dbraw/zinc/23/93/58/1293239358.db2.gz ZDMRAWULGXWVIS-MRXNPFEDSA-N -1 0 339.395 3.193 20 30 EGEDRM C[C@H](c1ccc(C([O-])=C(C#N)C(=O)c2nccn2C)cc1)C(F)(F)F ZINC000835234500 1293239581 /nfs/dbraw/zinc/23/95/81/1293239581.db2.gz CECNURSCZOCAMZ-ZWNOBZJWSA-N -1 0 349.312 3.291 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@H]2CCC[C@@H]2c2ccccc2)CC1 ZINC000835449627 1293293532 /nfs/dbraw/zinc/29/35/32/1293293532.db2.gz QFHXJPQSILTXQK-CVEARBPZSA-N -1 0 333.453 3.125 20 30 EGEDRM CCCCCCCC(=O)[N-]S(=O)(=O)c1ccc(OCC)cc1 ZINC000120055767 1293301252 /nfs/dbraw/zinc/30/12/52/1293301252.db2.gz VPFNQGXAXATVQN-UHFFFAOYSA-N -1 0 327.446 3.251 20 30 EGEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1cc2c(s1)CCCCCC2 ZINC000122695047 1293422253 /nfs/dbraw/zinc/42/22/53/1293422253.db2.gz RXWDMNZCBBJMOS-CYBMUJFWSA-N -1 0 341.436 3.346 20 30 EGEDRM C[C@H](C(=O)C(C#N)=C([O-])c1nccn1C)c1ccc2ccccc2c1 ZINC000123129660 1293434467 /nfs/dbraw/zinc/43/44/67/1293434467.db2.gz JYEHMGYFZIWOTE-GUYCJALGSA-N -1 0 331.375 3.269 20 30 EGEDRM CC(C)Sc1ccc(C([O-])=C(C#N)C(=O)c2nccn2C)cc1 ZINC000123189735 1293436394 /nfs/dbraw/zinc/43/63/94/1293436394.db2.gz WDHXUKMKIICGEG-CQSZACIVSA-N -1 0 327.409 3.126 20 30 EGEDRM CC(C)CCOc1ccc(C([O-])=C(C#N)C(=O)c2nccn2C)cc1 ZINC000123186727 1293436796 /nfs/dbraw/zinc/43/67/96/1293436796.db2.gz IKSORXDPBUQVIU-MRXNPFEDSA-N -1 0 339.395 3.050 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cccc(OC(F)F)c1 ZINC000125672451 1293514512 /nfs/dbraw/zinc/51/45/12/1293514512.db2.gz GSOXQJHHSRXPQM-AWEZNQCLSA-N -1 0 338.354 3.307 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)C(=O)NCc2ccccc2)c(C)n1C(C)C ZINC000126719772 1293542449 /nfs/dbraw/zinc/54/24/49/1293542449.db2.gz PWBPLDQCOWLYBV-GOSISDBHSA-N -1 0 337.423 3.325 20 30 EGEDRM Cc1ccc(-c2ccc(C=CC([O-])=C3C(=O)C=C(C)OC3=O)o2)cc1 ZINC000128008703 1293580783 /nfs/dbraw/zinc/58/07/83/1293580783.db2.gz XEIRDJNWVRWBJO-QRBZPYHOSA-N -1 0 336.343 3.483 20 30 EGEDRM CC(C)NC(=O)C(C#N)=C([O-])c1ccc(C2SCCCS2)cc1 ZINC000130697476 1293665724 /nfs/dbraw/zinc/66/57/24/1293665724.db2.gz MTGXSMQGJZWPSC-AWEZNQCLSA-N -1 0 348.493 3.402 20 30 EGEDRM CCCCOc1ccc(C([O-])=C(C#N)C(=O)NC(C)C)cc1OCC ZINC000130837052 1293670681 /nfs/dbraw/zinc/67/06/81/1293670681.db2.gz DFVLSJBZHOQUCC-OAHLLOKOSA-N -1 0 346.427 3.111 20 30 EGEDRM COc1cc(/C=C/C(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc(OC)c1 ZINC000136503528 1293816748 /nfs/dbraw/zinc/81/67/48/1293816748.db2.gz OGSKAJMJCZLDGW-HWKANZROSA-N -1 0 329.308 3.214 20 30 EGEDRM CCOc1cc(/C=C/C(=O)c2ccc([O-])c([N+](=O)[O-])c2)ccc1O ZINC000136502864 1293817364 /nfs/dbraw/zinc/81/73/64/1293817364.db2.gz PLNYCSKJXAKWBH-ZZXKWVIFSA-N -1 0 329.308 3.301 20 30 EGEDRM C=CC[C@@H](NC(=O)CCCSc1ccc(Cl)cc1)C(=O)[O-] ZINC000150132265 1293888974 /nfs/dbraw/zinc/88/89/74/1293888974.db2.gz XSGYLSCDQGFJTE-CYBMUJFWSA-N -1 0 327.833 3.358 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2cnc(-c3ccccc3)s2)C(=O)O1 ZINC000171157439 1294396724 /nfs/dbraw/zinc/39/67/24/1294396724.db2.gz LNMANTSQMUZVBS-WAVCKPEOSA-N -1 0 339.372 3.038 20 30 EGEDRM CCCCC[C@H](C)CC(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1 ZINC000174147135 1294483113 /nfs/dbraw/zinc/48/31/13/1294483113.db2.gz LJCLGJZUHWVRDY-AWEZNQCLSA-N -1 0 336.457 3.111 20 30 EGEDRM CCOc1ccc(C(=O)Nc2cc(C#N)ccc2[O-])cc1OCC ZINC000176816885 1294634626 /nfs/dbraw/zinc/63/46/26/1294634626.db2.gz KNAOBXWTFXWNCA-UHFFFAOYSA-N -1 0 326.352 3.314 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)Cc2csc(Cc3ccccc3)n2)c1 ZINC000176822961 1294635756 /nfs/dbraw/zinc/63/57/56/1294635756.db2.gz RGAHKWAOKLZYTB-UHFFFAOYSA-N -1 0 349.415 3.492 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cc2nc(C)ccc2o1 ZINC000179604348 1294808047 /nfs/dbraw/zinc/80/80/47/1294808047.db2.gz WXLWWMMVJLUYMQ-ZDUSSCGKSA-N -1 0 327.384 3.155 20 30 EGEDRM COc1ccc(C(=O)CCCC(=O)Nc2cc(C#N)ccc2[O-])cc1 ZINC000179741572 1294822533 /nfs/dbraw/zinc/82/25/33/1294822533.db2.gz BTMUFDYHNZFPCN-UHFFFAOYSA-N -1 0 338.363 3.264 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2ccccc2O[C@H](C)C#N)ccc1F ZINC000183127746 1295101035 /nfs/dbraw/zinc/10/10/35/1295101035.db2.gz WOXCNRSREYFPBM-GFCCVEGCSA-N -1 0 334.372 3.226 20 30 EGEDRM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2O[C@@H](C)C#N)cc1 ZINC000183133436 1295101946 /nfs/dbraw/zinc/10/19/46/1295101946.db2.gz AJSNNXBFSCMGSV-ZDUSSCGKSA-N -1 0 346.408 3.177 20 30 EGEDRM C=C[C@H](C)OC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000187564931 1295400793 /nfs/dbraw/zinc/40/07/93/1295400793.db2.gz MMXHBAHRJBSGFI-NSHDSACASA-N -1 0 337.422 3.280 20 30 EGEDRM CNC(=O)C(C#N)=C([O-])c1ccnc(Oc2ccc(C(C)C)cc2)c1 ZINC000870155866 1295709427 /nfs/dbraw/zinc/70/94/27/1295709427.db2.gz ZXFSVVYHTYDTKT-INIZCTEOSA-N -1 0 337.379 3.066 20 30 EGEDRM CCc1ccc(F)cc1C([O-])=C(C#N)C(=O)NCc1cccc(C)c1 ZINC000870308083 1295804748 /nfs/dbraw/zinc/80/47/48/1295804748.db2.gz GDZQMPSYIVGFPU-GOSISDBHSA-N -1 0 338.382 3.335 20 30 EGEDRM CC(C)OCCCNC(=O)C(C#N)=C([O-])c1csc2ccccc12 ZINC000193363212 1295856855 /nfs/dbraw/zinc/85/68/55/1295856855.db2.gz GFEMKOCUSFCAEK-CQSZACIVSA-N -1 0 344.436 3.155 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cn(C)c2ccccc12 ZINC000193365308 1295857061 /nfs/dbraw/zinc/85/70/61/1295857061.db2.gz ZKVWMAUMWCVRSD-OAHLLOKOSA-N -1 0 325.412 3.197 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc2[nH]c(C)c(C)c2c1 ZINC000193371101 1295858021 /nfs/dbraw/zinc/85/80/21/1295858021.db2.gz FMNOTXGPGSQYNN-INIZCTEOSA-N -1 0 325.412 3.414 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])c(/C=N\Cc2ccc(-n3ccnc3)c(F)c2)c1 ZINC000255268173 1296512920 /nfs/dbraw/zinc/51/29/20/1296512920.db2.gz XQGKBWFLCMTDEU-JMIUGGIZSA-N -1 0 340.314 3.244 20 30 EGEDRM COc1cc(OC)c(OC)cc1/C=C\C(=O)c1cc(F)ccc1[O-] ZINC000255278377 1296513316 /nfs/dbraw/zinc/51/33/16/1296513316.db2.gz HFQIFCIVSMGDSI-XQRVVYSFSA-N -1 0 332.327 3.453 20 30 EGEDRM C#CCOc1ccc([N-]S(=O)(=O)c2cccc3c2N=S=N3)cc1 ZINC000261438322 1296590142 /nfs/dbraw/zinc/59/01/42/1296590142.db2.gz LJXPVFAALWQVKL-UHFFFAOYSA-N -1 0 345.405 3.226 20 30 EGEDRM C=CCC[C@@H](NC(=O)C[C@@H](c1ccccc1)C(F)(F)F)C(=O)[O-] ZINC000262923301 1296652831 /nfs/dbraw/zinc/65/28/31/1296652831.db2.gz OEKWMNGVIUWSKD-QWHCGFSZSA-N -1 0 329.318 3.258 20 30 EGEDRM N#CCc1cccc(NC(=O)c2ccc(Br)cc2[O-])c1 ZINC000313464449 1297122553 /nfs/dbraw/zinc/12/25/53/1297122553.db2.gz MFRQWPQEEYKEHG-UHFFFAOYSA-N -1 0 331.169 3.473 20 30 EGEDRM COc1ccsc1C(=O)/C=C\c1cc(OC)c([O-])c([N+](=O)[O-])c1 ZINC000588489063 1298073029 /nfs/dbraw/zinc/07/30/29/1298073029.db2.gz PGQMRFXMCDLXKU-ARJAWSKDSA-N -1 0 335.337 3.275 20 30 EGEDRM CC(C)n1cc(C(=O)/C=C\c2ccccc2OCCC(=O)[O-])cn1 ZINC000606445612 1298096003 /nfs/dbraw/zinc/09/60/03/1298096003.db2.gz UULXZWNFZIIQRV-FPLPWBNLSA-N -1 0 328.368 3.214 20 30 EGEDRM O=C([O-])c1ccc2c(c1)CCC/C(=C/c1cn(C3CCC3)nn1)C2=O ZINC000606445384 1298096531 /nfs/dbraw/zinc/09/65/31/1298096531.db2.gz DYYWIVCDBYDWAW-RAXLEYEMSA-N -1 0 337.379 3.304 20 30 EGEDRM N#Cc1cc(F)cc(NC(=O)c2ccc(Br)c([O-])c2)c1 ZINC000720291121 1298326148 /nfs/dbraw/zinc/32/61/48/1298326148.db2.gz BWPZDLFLMQSNQZ-UHFFFAOYSA-N -1 0 335.132 3.418 20 30 EGEDRM CCc1ccc2c(c1)C(=N[N-]c1oc(C(C)(C)C)nc1C#N)C(=O)N2 ZINC000746497786 1298597637 /nfs/dbraw/zinc/59/76/37/1298597637.db2.gz CYUKSSWPQJPBTD-UHFFFAOYSA-N -1 0 337.383 3.174 20 30 EGEDRM Fc1ccc2[nH]cc(C=Nn3c(=S)[n-]nc3C(F)(F)F)c2c1 ZINC000747042909 1298714123 /nfs/dbraw/zinc/71/41/23/1298714123.db2.gz XOPLKUUMMBYWKB-UHFFFAOYSA-N -1 0 329.282 3.088 20 30 EGEDRM C[C@@H](Oc1cccc(C(=O)/C=C\c2cc(C#N)cs2)c1)C(=O)[O-] ZINC000748440118 1299007539 /nfs/dbraw/zinc/00/75/39/1299007539.db2.gz HNMBWWYJUCBYPO-ISALQUGTSA-N -1 0 327.361 3.368 20 30 EGEDRM COc1ccc2c(c1)O/C(=C\c1cccc(O[C@@H](C)C(=O)[O-])c1)C2=O ZINC000749133425 1299150059 /nfs/dbraw/zinc/15/00/59/1299150059.db2.gz ZIXIGVKUKHNFKS-PKSBALPTSA-N -1 0 340.331 3.163 20 30 EGEDRM CC(N=Nc1ncnc2sccc21)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000749612738 1299247289 /nfs/dbraw/zinc/24/72/89/1299247289.db2.gz ROKBKIYXABXEQS-UHFFFAOYSA-N -1 0 329.341 3.141 20 30 EGEDRM Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C/c1ccc(-n3cncn3)cc1)CC2 ZINC000750905591 1299475123 /nfs/dbraw/zinc/47/51/23/1299475123.db2.gz OCUFNJKAWWWAKB-MDWZMJQESA-N -1 0 349.346 3.079 20 30 EGEDRM Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C\c1ccc(-n3cncn3)cc1)CC2 ZINC000750905590 1299475226 /nfs/dbraw/zinc/47/52/26/1299475226.db2.gz OCUFNJKAWWWAKB-JYRVWZFOSA-N -1 0 349.346 3.079 20 30 EGEDRM COc1cc2c(c(C=NNc3ccccc3C(=O)[O-])c1)O[C@H](C)C2 ZINC000755600937 1300364067 /nfs/dbraw/zinc/36/40/67/1300364067.db2.gz LEYARTXEAFSZLD-LLVKDONJSA-N -1 0 326.352 3.163 20 30 EGEDRM CCc1ccc2c(c1)C(=N[N-]c1nc(C(F)(F)F)cs1)C(=O)N2 ZINC000755904526 1300413115 /nfs/dbraw/zinc/41/31/15/1300413115.db2.gz PCCRPXJGGXVWBZ-UHFFFAOYSA-N -1 0 340.330 3.493 20 30 EGEDRM C#CCCCCCC(=O)[N-]S(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000756093467 1300437054 /nfs/dbraw/zinc/43/70/54/1300437054.db2.gz MYDDVBJCEAAKGT-UHFFFAOYSA-N -1 0 335.469 3.274 20 30 EGEDRM C=C(C)[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1)OCC ZINC000756500520 1300508513 /nfs/dbraw/zinc/50/85/13/1300508513.db2.gz UQJHBOZLEBASTA-QGZVFWFLSA-N -1 0 347.436 3.016 20 30 EGEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1cc(F)cc(Cl)c1 ZINC000757307108 1300664692 /nfs/dbraw/zinc/66/46/92/1300664692.db2.gz VDDLXBANJCTOLJ-HNNXBMFYSA-N -1 0 330.746 3.118 20 30 EGEDRM Cn1c(Cl)nc(Cl)c1/C=C\C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000759090295 1301013002 /nfs/dbraw/zinc/01/30/02/1301013002.db2.gz JYUNEGMTYOGOSC-HYXAFXHYSA-N -1 0 342.138 3.237 20 30 EGEDRM CCOc1cc(/C=C/C(=O)c2cc([N+](=O)[O-])ccc2[O-])ccc1O ZINC000759090461 1301013270 /nfs/dbraw/zinc/01/32/70/1301013270.db2.gz LFEYRIOSFYAZSH-ZZXKWVIFSA-N -1 0 329.308 3.301 20 30 EGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CCc1ccncc1 ZINC000759182221 1301035025 /nfs/dbraw/zinc/03/50/25/1301035025.db2.gz FYRGKTMLHLTVMA-MRXNPFEDSA-N -1 0 331.375 3.396 20 30 EGEDRM N#CCOc1cc(F)ccc1NC(=O)CC1(CC(=O)[O-])CCCC1 ZINC000760206838 1301234271 /nfs/dbraw/zinc/23/42/71/1301234271.db2.gz AIZMOEQVSYDSPK-UHFFFAOYSA-N -1 0 334.347 3.092 20 30 EGEDRM COC(=O)[C@H](CC(F)F)/N=C/c1cc(Cl)cc(Cl)c1[O-] ZINC000761182836 1301415738 /nfs/dbraw/zinc/41/57/38/1301415738.db2.gz URDRNTAIKSLGOU-WCSOITLTSA-N -1 0 326.126 3.315 20 30 EGEDRM CCCCCCCC(=O)[N-]S(=O)(=O)c1cc(F)c(C)cc1F ZINC000761472212 1301479264 /nfs/dbraw/zinc/47/92/64/1301479264.db2.gz FLLFYFSRDHBWRQ-UHFFFAOYSA-N -1 0 333.400 3.439 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)CCCOc1cccc2ccccc21 ZINC000762048182 1301600272 /nfs/dbraw/zinc/60/02/72/1301600272.db2.gz STKYUVYYOGKMRE-UHFFFAOYSA-N -1 0 327.380 3.098 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)c1cccc(OCc2cccc(C)c2)c1 ZINC000762050672 1301600756 /nfs/dbraw/zinc/60/07/56/1301600756.db2.gz SMZICQWLESQIEJ-UHFFFAOYSA-N -1 0 339.391 3.287 20 30 EGEDRM CC(N=Nc1oc(C(C)(C)C)nc1C#N)c1cccc(C(=O)[O-])c1 ZINC000764680995 1302117496 /nfs/dbraw/zinc/11/74/96/1302117496.db2.gz LHUNGDAGNTWFAW-UHFFFAOYSA-N -1 0 326.356 3.378 20 30 EGEDRM CC(=NNc1nc2cc(F)c(F)cc2[nH]1)c1cccc(C(=O)[O-])c1 ZINC000764684932 1302118054 /nfs/dbraw/zinc/11/80/54/1302118054.db2.gz UKAKJVSGOSBRSQ-UHFFFAOYSA-N -1 0 330.294 3.375 20 30 EGEDRM O=C([O-])c1ccc2c(c1)n[nH]c2CN=Nc1ccc(C(F)(F)F)cn1 ZINC000765556807 1302282148 /nfs/dbraw/zinc/28/21/48/1302282148.db2.gz YUOSSSGSFBLUFI-UHFFFAOYSA-N -1 0 349.272 3.121 20 30 EGEDRM N#CC1(CS(=O)(=O)[N-]C(=O)c2cccc3ccsc32)CCCC1 ZINC000768009272 1302802727 /nfs/dbraw/zinc/80/27/27/1302802727.db2.gz FKFUDIDCPDAHDE-UHFFFAOYSA-N -1 0 348.449 3.045 20 30 EGEDRM N#Cc1cccc(OCC(=O)Nc2ccc3[n-]c(=S)oc3c2)c1 ZINC000769244113 1303080317 /nfs/dbraw/zinc/08/03/17/1303080317.db2.gz NEWAFMXGPKASKN-UHFFFAOYSA-N -1 0 325.349 3.006 20 30 EGEDRM O=C(/C=C\c1cc([O-])ccc1[N+](=O)[O-])c1ccc(-n2cccn2)cc1 ZINC000772797261 1303577926 /nfs/dbraw/zinc/57/79/26/1303577926.db2.gz NGANHHHCMGLCKG-WTKPLQERSA-N -1 0 335.319 3.382 20 30 EGEDRM N#Cc1ccc(/C=C(\C(=O)C(=O)[O-])c2ccc3ccccc3n2)c(F)c1 ZINC000772806261 1303580138 /nfs/dbraw/zinc/58/01/38/1303580138.db2.gz MEQLBIOQUZKFTK-GDNBJRDFSA-N -1 0 346.317 3.440 20 30 EGEDRM COc1cc(/C=C2\Oc3cc(F)ccc3C2=O)cc([N+](=O)[O-])c1[O-] ZINC000773172802 1303636910 /nfs/dbraw/zinc/63/69/10/1303636910.db2.gz OYEJLERTHUWSFL-NSIKDUERSA-N -1 0 331.255 3.064 20 30 EGEDRM C=CCNC(=O)C(C#N)=C([O-])c1sc(-c2ccccc2C)nc1C ZINC000773979759 1303759790 /nfs/dbraw/zinc/75/97/90/1303759790.db2.gz KTOOQHLSFRMPAW-CQSZACIVSA-N -1 0 339.420 3.052 20 30 EGEDRM COc1ccc(C([O-])=C(C#N)C(=O)NCc2ccccc2)cc1C1CC1 ZINC000774042494 1303766944 /nfs/dbraw/zinc/76/69/44/1303766944.db2.gz JGNSWTJWDGZFMU-GOSISDBHSA-N -1 0 348.402 3.211 20 30 EGEDRM CN1C(=O)CCc2cc(/C=C\C(=O)c3cc(F)cc(F)c3[O-])ccc21 ZINC000774134795 1303777855 /nfs/dbraw/zinc/77/78/55/1303777855.db2.gz GFZDOBQIYLURMZ-UTCJRWHESA-N -1 0 343.329 3.476 20 30 EGEDRM COc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000775294877 1303935209 /nfs/dbraw/zinc/93/52/09/1303935209.db2.gz HRQAWVAYGFKESS-UHFFFAOYSA-N -1 0 340.763 3.160 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])c(/C=N/C[C@@H](O)c2cc(F)cc(Cl)c2)c1 ZINC000775741965 1304026468 /nfs/dbraw/zinc/02/64/68/1304026468.db2.gz UWADKFYGZDBNGC-CYBCDMBKSA-N -1 0 338.722 3.245 20 30 EGEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)[C@@H]1CC[C@H](C)C1 ZINC000776511438 1304167546 /nfs/dbraw/zinc/16/75/46/1304167546.db2.gz MBDFDJCHAGBXDV-ZLKJLUDKSA-N -1 0 344.411 3.136 20 30 EGEDRM C=CCS(=O)(=O)[N-]C(=O)c1cc(C)ccc1SC1CCCC1 ZINC000776537977 1304169500 /nfs/dbraw/zinc/16/95/00/1304169500.db2.gz RFESOHASBYLBRW-UHFFFAOYSA-N -1 0 339.482 3.275 20 30 EGEDRM CC(C)[C@@H](Cc1ccccc1)NN=Cc1cccc(OCC(=O)[O-])c1 ZINC000777446934 1304297671 /nfs/dbraw/zinc/29/76/71/1304297671.db2.gz AKZMTGHRCXNACE-LJQANCHMSA-N -1 0 340.423 3.341 20 30 EGEDRM C=CC[C@H](C(=O)[N-]S(=O)(=O)c1ccc(C)cc1F)c1ccccc1 ZINC000778658756 1304477568 /nfs/dbraw/zinc/47/75/68/1304477568.db2.gz VRVUQHNCPACEGQ-HNNXBMFYSA-N -1 0 347.411 3.299 20 30 EGEDRM C=C[C@@H](CC(=O)[N-]S(=O)(=O)Cc1cccc(C)c1)c1ccccc1 ZINC000778830542 1304497974 /nfs/dbraw/zinc/49/79/74/1304497974.db2.gz RGJLGDLLNLCTSG-KRWDZBQOSA-N -1 0 343.448 3.301 20 30 EGEDRM CC(C)(C)OC(=O)NCCCCCC(=O)Nc1cc(C#N)ccc1[O-] ZINC000780964548 1304756289 /nfs/dbraw/zinc/75/62/89/1304756289.db2.gz BPOXDCDAVGPOFK-UHFFFAOYSA-N -1 0 347.415 3.287 20 30 EGEDRM Cc1c(C(=O)/C=C\c2cc(C(=O)[O-])cs2)c(C#N)c2n1CCC2 ZINC000782199559 1304930549 /nfs/dbraw/zinc/93/05/49/1304930549.db2.gz HFDDOSHAHIKPTN-PLNGDYQASA-N -1 0 326.377 3.270 20 30 EGEDRM COc1cc(C=NNc2ccc(F)cc2C)ccc1OCCC(=O)[O-] ZINC000783857162 1305152669 /nfs/dbraw/zinc/15/26/69/1305152669.db2.gz VNJAMQDOWPGNBS-UHFFFAOYSA-N -1 0 346.358 3.442 20 30 EGEDRM CCCCC[C@@](C)(CC)C(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1 ZINC000784850549 1305286334 /nfs/dbraw/zinc/28/63/34/1305286334.db2.gz PFQLVZTZDPJQFP-GOSISDBHSA-N -1 0 344.415 3.346 20 30 EGEDRM Cc1cc(C)n(-c2ccc(NC(=O)c3ccc(C#N)c([O-])c3)cc2)n1 ZINC000785488014 1305362162 /nfs/dbraw/zinc/36/21/62/1305362162.db2.gz MJJOTCIMMARLNJ-UHFFFAOYSA-N -1 0 332.363 3.319 20 30 EGEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2cc3ccccc3n2C)c1 ZINC000786537890 1305592583 /nfs/dbraw/zinc/59/25/83/1305592583.db2.gz BNTCRPIGTTYFLU-KRWDZBQOSA-N -1 0 345.402 3.126 20 30 EGEDRM CCOc1cccc(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)c1 ZINC000786548955 1305595120 /nfs/dbraw/zinc/59/51/20/1305595120.db2.gz OTTCYCKEDVWNEZ-SFHVURJKSA-N -1 0 336.391 3.033 20 30 EGEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2cnc(C(C)C)s2)c1 ZINC000786547893 1305595522 /nfs/dbraw/zinc/59/55/22/1305595522.db2.gz YMWYZIMBYXPHMW-CQSZACIVSA-N -1 0 341.436 3.214 20 30 EGEDRM Cc1cc(C)cc(C([O-])=C(C#N)C(=O)NCc2ccc(F)cc2F)c1 ZINC000786564820 1305599567 /nfs/dbraw/zinc/59/95/67/1305599567.db2.gz UAXZDXXAJZNUPQ-INIZCTEOSA-N -1 0 342.345 3.221 20 30 EGEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1ccc2c(c1)CCO2)c1ccccc1 ZINC000787035348 1305680254 /nfs/dbraw/zinc/68/02/54/1305680254.db2.gz DNMDUTMDHRAGEY-ROUUACIJSA-N -1 0 348.402 3.211 20 30 EGEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1ccc2c(c1)COC2)c1ccccc1 ZINC000787042807 1305683250 /nfs/dbraw/zinc/68/32/50/1305683250.db2.gz YSRXKYQTPSTQBE-OALUTQOASA-N -1 0 348.402 3.307 20 30 EGEDRM Cc1cc(C)cc(CS(=O)(=O)[N-]c2cnc(Cl)cc2C#N)c1 ZINC000788205059 1305894277 /nfs/dbraw/zinc/89/42/77/1305894277.db2.gz HHTNZWWNSPYBNP-UHFFFAOYSA-N -1 0 335.816 3.165 20 30 EGEDRM C#CCC1(C(=O)OCC([O-])=C(C#N)c2nc(C)cs2)CCCCC1 ZINC000788213083 1305895759 /nfs/dbraw/zinc/89/57/59/1305895759.db2.gz KJRYVGPMTHDVOU-CQSZACIVSA-N -1 0 344.436 3.145 20 30 EGEDRM CC1(C)C(=NNc2cnnc([O-])c2Cl)C[C@@H]1Oc1ccccc1 ZINC000788976518 1306055448 /nfs/dbraw/zinc/05/54/48/1306055448.db2.gz ZYBIPVDBGGWXQE-ZDUSSCGKSA-N -1 0 332.791 3.481 20 30 EGEDRM COc1ncc(C(=O)/C=C\c2ccc([O-])c([N+](=O)[O-])c2)cc1Cl ZINC000789158867 1306101519 /nfs/dbraw/zinc/10/15/19/1306101519.db2.gz ZFVAIVBRTGMWAP-RQOWECAXSA-N -1 0 334.715 3.254 20 30 EGEDRM CCCCCCCC(=O)[N-]S(=O)(=O)Cc1ccc(F)cc1C ZINC000792067483 1309116575 /nfs/dbraw/zinc/11/65/75/1309116575.db2.gz FEMUYLJONBLFKP-UHFFFAOYSA-N -1 0 329.437 3.441 20 30 EGEDRM N#Cc1ccc(C[C@H](C#N)C(=O)Nc2ccc3[n-]c(=S)oc3c2)cc1 ZINC000792233043 1309147802 /nfs/dbraw/zinc/14/78/02/1309147802.db2.gz XXSFKFSZLZHCAR-CYBMUJFWSA-N -1 0 348.387 3.309 20 30 EGEDRM CC[C@H](NN=Cc1cn(-c2ccc(C)cc2)nc1C(C)(C)C)C(=O)[O-] ZINC000793056721 1309288127 /nfs/dbraw/zinc/28/81/27/1309288127.db2.gz JWSVPJLQYVOSSJ-INIZCTEOSA-N -1 0 342.443 3.265 20 30 EGEDRM COc1cc2c(cc1OC)C(=NNc1ccccc1C(=O)[O-])CC2 ZINC000794485514 1309536339 /nfs/dbraw/zinc/53/63/39/1309536339.db2.gz XWNASFIFRUJBPX-UHFFFAOYSA-N -1 0 326.352 3.164 20 30 EGEDRM Cc1cnn(C)c1/C=C\C(=O)c1cc(Br)cc(F)c1[O-] ZINC000794714026 1309580089 /nfs/dbraw/zinc/58/00/89/1309580089.db2.gz UBMCWRJCYKSABS-ARJAWSKDSA-N -1 0 339.164 3.232 20 30 EGEDRM CCc1cccc2c1OC/C(=C/c1cccc(OCC(=O)[O-])c1)C2=O ZINC000794729140 1309585528 /nfs/dbraw/zinc/58/55/28/1309585528.db2.gz YILPCDNYOHLLMZ-DHDCSXOGSA-N -1 0 338.359 3.371 20 30 EGEDRM O=C(/C=C/c1ccc(Cl)cc1-n1cncn1)c1ccc(O)cc1[O-] ZINC000794940871 1309627225 /nfs/dbraw/zinc/62/72/25/1309627225.db2.gz DILPSUAIOMNGSN-QHHAFSJGSA-N -1 0 341.754 3.228 20 30 EGEDRM O=C([O-])CCOc1ccc(/C=C2\CCc3ccc(O)cc3C2=O)cc1 ZINC000794960093 1309633868 /nfs/dbraw/zinc/63/38/68/1309633868.db2.gz KNCXKQCWGAHAFP-RVDMUPIBSA-N -1 0 338.359 3.458 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2ccoc2C(C)C)n1 ZINC000796394958 1309991011 /nfs/dbraw/zinc/99/10/11/1309991011.db2.gz JWLPWNKJBDBJAT-LBPRGKRZSA-N -1 0 332.381 3.201 20 30 EGEDRM CC(C)(CC(=O)[N-]S(=O)(=O)c1cccc(C#N)c1)C1CCCCC1 ZINC000796625401 1310049397 /nfs/dbraw/zinc/04/93/97/1310049397.db2.gz IAICQYKLTQYSNI-UHFFFAOYSA-N -1 0 348.468 3.360 20 30 EGEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)C1CC(C)(C)C1 ZINC000796820217 1310092915 /nfs/dbraw/zinc/09/29/15/1310092915.db2.gz VERHNNWMDWDNJP-CYBMUJFWSA-N -1 0 344.411 3.136 20 30 EGEDRM C=C[C@H](OC(=O)c1ccc2c(c1)[n-]c(=S)n(CC)c2=O)C(C)(C)C ZINC000798902175 1310456301 /nfs/dbraw/zinc/45/63/01/1310456301.db2.gz UPOLKGDTLMWEGP-AWEZNQCLSA-N -1 0 346.452 3.463 20 30 EGEDRM C[C@H](CCc1ccc2c(c1)OCO2)NN=Cc1cc(F)c([O-])c(F)c1 ZINC000802713887 1317027878 /nfs/dbraw/zinc/02/78/78/1317027878.db2.gz XPIVQKBLARAKEN-LLVKDONJSA-N -1 0 348.349 3.344 20 30 EGEDRM C=CCOc1cccc([N-]S(=O)(=O)c2ccc(Cl)nc2C)c1 ZINC000805054692 1317312649 /nfs/dbraw/zinc/31/26/49/1317312649.db2.gz OTFAZDQNPXNTHB-UHFFFAOYSA-N -1 0 338.816 3.409 20 30 EGEDRM Cc1cc(/C=C\C(=O)c2cccc(C(=O)[O-])c2)ccc1-n1cncn1 ZINC000806559086 1317500631 /nfs/dbraw/zinc/50/06/31/1317500631.db2.gz UGSDTNRDRVUYGN-VURMDHGXSA-N -1 0 333.347 3.170 20 30 EGEDRM O=C([O-])[C@H]1C/C(=C/c2ccc3c(c2)OCCO3)C(=O)c2ccccc21 ZINC000806561028 1317501952 /nfs/dbraw/zinc/50/19/52/1317501952.db2.gz QSOUKWAQIZULME-OVHOFWQVSA-N -1 0 336.343 3.296 20 30 EGEDRM C=C(C)C[C@H]([NH2+]Cc1cc(Cl)cc(Br)c1[O-])C(=O)[O-] ZINC000904030857 1317771510 /nfs/dbraw/zinc/77/15/10/1317771510.db2.gz DTRYOMDPXWCRPI-NSHDSACASA-N -1 0 348.624 3.317 20 30 EGEDRM COCCOCc1ccc(/C=C/C(=O)c2ccc(O)cc2[O-])cc1 ZINC000809156374 1317776158 /nfs/dbraw/zinc/77/61/58/1317776158.db2.gz BBVJRVDBQNPSKE-RMKNXTFCSA-N -1 0 328.364 3.157 20 30 EGEDRM Cc1nccn1-c1ccc(C(=O)/C=C\c2ccc(O)c(C(=O)[O-])c2)cc1 ZINC000809157090 1317776782 /nfs/dbraw/zinc/77/67/82/1317776782.db2.gz HNZIOQATMFQYDJ-WAPJZHGLSA-N -1 0 348.358 3.481 20 30 EGEDRM Cc1nn(C)c2sc(C(=O)/C=C/c3ccc(O)c(C(=O)[O-])c3)cc12 ZINC000809156832 1317777200 /nfs/dbraw/zinc/77/72/00/1317777200.db2.gz LBEXREADWQMFHQ-GQCTYLIASA-N -1 0 342.376 3.243 20 30 EGEDRM N#CC(=C([O-])c1nnc2ccccc2n1)c1nc2cc(F)ccc2s1 ZINC000810577089 1318025981 /nfs/dbraw/zinc/02/59/81/1318025981.db2.gz ZLBGGHSHIRMACO-JTQLQIEISA-N -1 0 349.350 3.264 20 30 EGEDRM Cc1csc([N-]S(=O)(=O)c2cnn(C3CCCC3)c2)c1C#N ZINC000906072959 1318034077 /nfs/dbraw/zinc/03/40/77/1318034077.db2.gz MRBKOSXYNJEHDC-UHFFFAOYSA-N -1 0 336.442 3.041 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)CCSc2ccc(C)cc2)CC1 ZINC000810988672 1318087976 /nfs/dbraw/zinc/08/79/76/1318087976.db2.gz OWEGWKJVSYZZAT-UHFFFAOYSA-N -1 0 339.482 3.032 20 30 EGEDRM N#Cc1cncc(S(=O)(=O)[N-]c2cccc(SC(F)F)c2)c1 ZINC000811682762 1318226951 /nfs/dbraw/zinc/22/69/51/1318226951.db2.gz FHIMGBWRFYIHNU-UHFFFAOYSA-N -1 0 341.364 3.069 20 30 EGEDRM C#C[C@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000812352820 1318373266 /nfs/dbraw/zinc/37/32/66/1318373266.db2.gz WUPYUBKEYXMDSV-ZDUSSCGKSA-N -1 0 330.727 3.058 20 30 EGEDRM C=C(C)COc1cccc(NC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])c1 ZINC000908621151 1318375104 /nfs/dbraw/zinc/37/51/04/1318375104.db2.gz JEJJCNAVFSZCOM-BJJXKVORSA-N -1 0 330.384 3.111 20 30 EGEDRM CC(C)OCCON=c1[n-]c2c(c(C#N)c1C#N)CCCCCC2 ZINC000812488776 1318400174 /nfs/dbraw/zinc/40/01/74/1318400174.db2.gz LSPJLGYDBUZXGI-UHFFFAOYSA-N -1 0 328.416 3.252 20 30 EGEDRM C=C(C)CCNC(=O)N(CC(=O)[O-])Cc1ccc(C(F)(F)F)cc1 ZINC000909030862 1318427231 /nfs/dbraw/zinc/42/72/31/1318427231.db2.gz OCTKTUKCWMVDEQ-UHFFFAOYSA-N -1 0 344.333 3.268 20 30 EGEDRM COc1ccc(-c2ocnc2C(=O)Nc2cc(C#N)ccc2[O-])cc1 ZINC000813501169 1318580830 /nfs/dbraw/zinc/58/08/30/1318580830.db2.gz RZHRADBTUHLOIR-UHFFFAOYSA-N -1 0 335.319 3.180 20 30 EGEDRM O=C([O-])C1CC(=NNC(=S)Nc2ccc(Cl)cc2Cl)C1 ZINC000814715863 1318804867 /nfs/dbraw/zinc/80/48/67/1318804867.db2.gz OHTDYKNXEGUBHT-UHFFFAOYSA-N -1 0 332.212 3.130 20 30 EGEDRM Cc1nnc(N=NC(C)Cc2c(Cl)cccc2Cl)[n-]c1=O ZINC000814734661 1318808577 /nfs/dbraw/zinc/80/85/77/1318808577.db2.gz GQZPREMXTBVGOK-UHFFFAOYSA-N -1 0 326.187 3.223 20 30 EGEDRM O=C1NC2(CCCCC2)C(=O)N1N=Cc1ccc2ccccc2c1O ZINC000814744459 1318809098 /nfs/dbraw/zinc/80/90/98/1318809098.db2.gz VEBWTXZWODPZOL-UHFFFAOYSA-N -1 0 337.379 3.134 20 30 EGEDRM Cc1c(N=NC2CC(C(=O)[O-])(c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000814833706 1318828521 /nfs/dbraw/zinc/82/85/21/1318828521.db2.gz JAJOZLHRFDWZRU-UHFFFAOYSA-N -1 0 339.351 3.488 20 30 EGEDRM CC(=NNc1ccc(Cl)nc1)c1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000814859640 1318832785 /nfs/dbraw/zinc/83/27/85/1318832785.db2.gz YJDHPFMVJJDANR-LLVKDONJSA-N -1 0 333.775 3.423 20 30 EGEDRM CCC(=NNC1CCOCC1)c1ccc(OCCCCC(=O)[O-])cc1 ZINC000814868930 1318834541 /nfs/dbraw/zinc/83/45/41/1318834541.db2.gz NMTWHNDSCJCDJV-UHFFFAOYSA-N -1 0 348.443 3.203 20 30 EGEDRM COc1cc(C(C)=NOCC(F)(F)F)ccc1OCCCC(=O)[O-] ZINC000814880582 1318837914 /nfs/dbraw/zinc/83/79/14/1318837914.db2.gz IMLUTQFPIBWFGB-UHFFFAOYSA-N -1 0 349.305 3.242 20 30 EGEDRM CC(=NOCc1cccnc1)c1cccc(OCCCC(=O)[O-])c1 ZINC000814884039 1318838821 /nfs/dbraw/zinc/83/88/21/1318838821.db2.gz MAZNEXJAPDJEAM-UHFFFAOYSA-N -1 0 328.368 3.266 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1NN=C1COc2cccc(Cl)c21 ZINC000814886451 1318839545 /nfs/dbraw/zinc/83/95/45/1318839545.db2.gz CDBDURAZRHPTPW-UHFFFAOYSA-N -1 0 332.743 3.255 20 30 EGEDRM CC(CC1(C(=O)[O-])CCC1)N=Nc1cncc(Br)c1 ZINC000814887733 1318840353 /nfs/dbraw/zinc/84/03/53/1318840353.db2.gz WVGNAFXTYJUFCR-UHFFFAOYSA-N -1 0 326.194 3.277 20 30 EGEDRM CC(=NNc1ccnc(F)c1)c1cccc(OCCCC(=O)[O-])c1 ZINC000814902393 1318843602 /nfs/dbraw/zinc/84/36/02/1318843602.db2.gz LLNQGEUPJHMMDF-UHFFFAOYSA-N -1 0 331.347 3.300 20 30 EGEDRM CC(=NNc1ccnc(Br)c1)c1csc(C(=O)[O-])c1 ZINC000814904446 1318844547 /nfs/dbraw/zinc/84/45/47/1318844547.db2.gz JRZPQFXMLIPYSS-UHFFFAOYSA-N -1 0 340.202 3.440 20 30 EGEDRM C[C@H](CCc1ccc2c(c1)OCO2)NN=C1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000814924516 1318850079 /nfs/dbraw/zinc/85/00/79/1318850079.db2.gz PTKNEOLCNLYTBX-WOSRLPQWSA-N -1 0 346.427 3.203 20 30 EGEDRM O=C([O-])C1(c2ccccc2)CC(N=Nc2nccnc2C2CCC2)C1 ZINC000814932273 1318853051 /nfs/dbraw/zinc/85/30/51/1318853051.db2.gz VEKVNTXKBYCQPB-UHFFFAOYSA-N -1 0 336.395 3.328 20 30 EGEDRM O=C([O-])CNN=Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000814958901 1318860490 /nfs/dbraw/zinc/86/04/90/1318860490.db2.gz ZJGMCXAOMZEUDD-UHFFFAOYSA-N -1 0 349.730 3.049 20 30 EGEDRM C[C@@H](C(=O)Nc1cc(C#N)ccc1[O-])[C@@H]1OCCc2sccc21 ZINC000815877759 1319066655 /nfs/dbraw/zinc/06/66/55/1319066655.db2.gz GFKZLVKTXIPTBP-HWPZZCPQSA-N -1 0 328.393 3.214 20 30 EGEDRM CCCN1C[C@H](C/N=C/c2cc(Cl)cc(Cl)c2[O-])CC1=O ZINC000817708043 1319426474 /nfs/dbraw/zinc/42/64/74/1319426474.db2.gz RKYQZDMAXPCHRM-WBFHQNOSSA-N -1 0 329.227 3.376 20 30 EGEDRM Cc1c(C(=O)[O-])oc2c1C(=NNc1ncnc3sccc31)CCC2 ZINC000915955284 1319569855 /nfs/dbraw/zinc/56/98/55/1319569855.db2.gz CGUNPZCQKCXGLA-UHFFFAOYSA-N -1 0 342.380 3.443 20 30 EGEDRM CC(=NNc1nnc(C)c(=O)[n-]1)c1ccccc1OCc1ccccc1 ZINC000916284272 1319633205 /nfs/dbraw/zinc/63/32/05/1319633205.db2.gz UTIKFANKHDIIDN-UHFFFAOYSA-N -1 0 349.394 3.301 20 30 EGEDRM O=[N+]([O-])c1ccccc1C=CC=Nn1c(C(F)(F)F)n[n-]c1=S ZINC000916305618 1319636563 /nfs/dbraw/zinc/63/65/63/1319636563.db2.gz XXQNHFJIWPTTRF-LEGCWVATSA-N -1 0 343.290 3.041 20 30 EGEDRM CCCCc1ccc(C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000916808902 1319709686 /nfs/dbraw/zinc/70/96/86/1319709686.db2.gz ZPZMREISKVAYRR-UHFFFAOYSA-N -1 0 342.420 3.020 20 30 EGEDRM C=CCNC(=O)C(C#N)=C([O-])c1sc2cccc(C)c2c1Cl ZINC000916921290 1319726377 /nfs/dbraw/zinc/72/63/77/1319726377.db2.gz SBQSVYVZAACXJW-SNVBAGLBSA-N -1 0 332.812 3.488 20 30 EGEDRM O=C([O-])COc1cccc(C(=O)/C=C\c2csc([N+](=O)[O-])c2)c1 ZINC000917143341 1319763780 /nfs/dbraw/zinc/76/37/80/1319763780.db2.gz ZFXLUIUHRAAQKD-PLNGDYQASA-N -1 0 333.321 3.016 20 30 EGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)C[C@H](C)n1cccn1 ZINC000819937719 1319806985 /nfs/dbraw/zinc/80/69/85/1319806985.db2.gz VLUJABKRXOLOBS-SWLSCSKDSA-N -1 0 334.379 3.216 20 30 EGEDRM C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC000820761083 1319948128 /nfs/dbraw/zinc/94/81/28/1319948128.db2.gz NLIZBSKQJNNUEG-UHFFFAOYSA-N -1 0 333.812 3.027 20 30 EGEDRM C=CCC1(C(=O)[N-]S(=O)(=O)CCc2ccc(Cl)cc2)CCC1 ZINC000821550466 1320020631 /nfs/dbraw/zinc/02/06/31/1320020631.db2.gz UNRGMAKKTUDGNP-UHFFFAOYSA-N -1 0 341.860 3.075 20 30 EGEDRM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC[C@H](C#N)CCC#N)c1 ZINC000842159061 1321355791 /nfs/dbraw/zinc/35/57/91/1321355791.db2.gz YJYCHRTUXZUJAF-LBPRGKRZSA-N -1 0 338.333 3.029 20 30 EGEDRM N#CC1(CNC(=O)NCc2cc(Cl)cc(Cl)c2[O-])CCC1 ZINC000842198757 1321361554 /nfs/dbraw/zinc/36/15/54/1321361554.db2.gz NARROQMMUJECJT-UHFFFAOYSA-N -1 0 328.199 3.192 20 30 EGEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1ccc(C)c(C)n1)c1ccccc1 ZINC000842342335 1321374936 /nfs/dbraw/zinc/37/49/36/1321374936.db2.gz JAGBREHYYZYBCI-IRXDYDNUSA-N -1 0 335.407 3.288 20 30 EGEDRM CC(C)=CCC[C@H](C)CC(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC000842756348 1321428006 /nfs/dbraw/zinc/42/80/06/1321428006.db2.gz FDLJAFZEMCSMQW-HNNXBMFYSA-N -1 0 340.489 3.289 20 30 EGEDRM Cc1c(N=NC2CCC(O)(C(F)(F)F)CC2)cccc1C(=O)[O-] ZINC000844623960 1321626340 /nfs/dbraw/zinc/62/63/40/1321626340.db2.gz ONTPRMXDBOFMRS-UHFFFAOYSA-N -1 0 330.306 3.329 20 30 EGEDRM C=CCC(CC=C)C(=O)[N-]S(=O)(=O)Cc1ccc(Cl)cc1 ZINC000845892255 1321751610 /nfs/dbraw/zinc/75/16/10/1321751610.db2.gz GILQFVYEDXFDGC-UHFFFAOYSA-N -1 0 327.833 3.054 20 30 EGEDRM C=C[C@@H](C)O[N-]C(=O)[C@H](NC(=O)OC(C)(C)C)c1ccc(C)cc1 ZINC000846552407 1321793187 /nfs/dbraw/zinc/79/31/87/1321793187.db2.gz GYECSXVBBVSMON-UKRRQHHQSA-N -1 0 334.416 3.183 20 30 EGEDRM Cn1nccc1[C@@H]1CCCC(N=Nc2ccc(CC(=O)[O-])cc2)C1 ZINC000848414222 1321957923 /nfs/dbraw/zinc/95/79/23/1321957923.db2.gz LEVWLVRKHPZJTM-CQSZACIVSA-N -1 0 326.400 3.173 20 30 EGEDRM CCn1nc(C)c(C(=O)/C=C\c2cc(OC)c([O-])c([N+](=O)[O-])c2)c1C ZINC000920927490 1322236570 /nfs/dbraw/zinc/23/65/70/1322236570.db2.gz AAMDVUBYZVDVHM-SREVYHEPSA-N -1 0 345.355 3.038 20 30 EGEDRM N#CC1(CC(=O)[N-]S(=O)(=O)c2ccccc2Cl)CCCCC1 ZINC000850739787 1322281626 /nfs/dbraw/zinc/28/16/26/1322281626.db2.gz XVSITRCBJHXHMS-UHFFFAOYSA-N -1 0 340.832 3.009 20 30 EGEDRM CCCn1nccc1/C=C\C(=O)c1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000853005819 1323259222 /nfs/dbraw/zinc/25/92/22/1323259222.db2.gz VULFUTRYLYAQFT-WSROAFLRSA-N -1 0 328.368 3.041 20 30 EGEDRM C=CCNC(=S)[N-]c1ccc(Cl)cc1SCCC(=O)OC ZINC000865242836 1329679115 /nfs/dbraw/zinc/67/91/15/1329679115.db2.gz DRHQRHXNCXTIQP-UHFFFAOYSA-N -1 0 344.889 3.468 20 30 EGEDRM CC(C)(S)CNC(=O)CCC(=O)C=C([O-])c1ccc(Cl)cc1 ZINC001184119032 1387395575 /nfs/dbraw/zinc/39/55/75/1387395575.db2.gz JHYSXKHMXNCQOP-UHFFFAOYSA-N -1 0 341.860 3.087 20 30 EGEDRM CCOC(=O)c1c(C)csc1NC(=O)CCC(=O)C1=CC=C[CH]1 ZINC001184241677 1387418557 /nfs/dbraw/zinc/41/85/57/1387418557.db2.gz RLOSWJZUZRHHFT-UHFFFAOYSA-N -1 0 332.401 3.222 20 30 EGEDRM O=C(CCC(=O)N1CCn2cccc2[C@@H]1c1ccccc1)C1=CC=C[CH]1 ZINC001184241197 1387418560 /nfs/dbraw/zinc/41/85/60/1387418560.db2.gz MUCYHCGJEINJGZ-QFIPXVFZSA-N -1 0 345.422 3.469 20 30 EGEDRM N#Cc1ccc(NC(=O)CCC(=O)C2=CC=C[CH]2)c(OC(F)(F)F)c1 ZINC001184244531 1387418639 /nfs/dbraw/zinc/41/86/39/1387418639.db2.gz CRSYAEXEMKUAPJ-UHFFFAOYSA-N -1 0 349.288 3.445 20 30 EGEDRM N#Cc1cc(NC(=O)C[C@@]23C[C@H]4C[C@@H](C2)C[C@](O)(C4)C3)c([O-])cc1F ZINC001184291541 1387423473 /nfs/dbraw/zinc/42/34/73/1387423473.db2.gz FITWQELEOVHDSD-OJDLOJSLSA-N -1 0 344.386 3.063 20 30 EGEDRM N#Cc1c(Cl)cccc1[N-]S(=O)(=O)Cc1cc(F)cc(F)c1 ZINC001185134991 1387624714 /nfs/dbraw/zinc/62/47/14/1387624714.db2.gz HOYHTXHPMYVXAK-UHFFFAOYSA-N -1 0 342.754 3.432 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2c(C#N)cnn2C(C)C)ccc1Cl ZINC001185496291 1387732247 /nfs/dbraw/zinc/73/22/47/1387732247.db2.gz KIBDEBVJFNZQPF-UHFFFAOYSA-N -1 0 338.820 3.098 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccc3n[nH]cc3c2)c2ccccc12 ZINC001185943594 1387832844 /nfs/dbraw/zinc/83/28/44/1387832844.db2.gz MPIXDCCVFRTWMN-UHFFFAOYSA-N -1 0 348.387 3.389 20 30 EGEDRM N#Cc1cc(NC(=O)Nc2cccc3nsnc32)c([O-])cc1F ZINC001190310726 1367224219 /nfs/dbraw/zinc/22/42/19/1367224219.db2.gz DBAAZEORGFKZSG-UHFFFAOYSA-N -1 0 329.316 3.052 20 30 EGEDRM N#Cc1cc(NC(=O)c2ccc(N3CCCCC3)nc2)c([O-])cc1F ZINC001190417695 1367259700 /nfs/dbraw/zinc/25/97/00/1367259700.db2.gz BQAMRRHXWBGJAR-UHFFFAOYSA-N -1 0 340.358 3.041 20 30 EGEDRM Cc1ccc2cccc([N-]S(=O)(=O)c3cc(C#N)ccc3F)c2n1 ZINC001190648117 1367315897 /nfs/dbraw/zinc/31/58/97/1367315897.db2.gz UCWJECSZDJRKBF-UHFFFAOYSA-N -1 0 341.367 3.355 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)NCc2ccc3sccc3c2)c1 ZINC001190664099 1367322654 /nfs/dbraw/zinc/32/26/54/1367322654.db2.gz AZRYVPOABIFFLD-UHFFFAOYSA-N -1 0 346.408 3.391 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)N[C@@H]2CCCc3cc(F)ccc32)c1 ZINC001190676962 1367326840 /nfs/dbraw/zinc/32/68/40/1367326840.db2.gz GBYNTFDKPLBFPS-MRXNPFEDSA-N -1 0 348.374 3.192 20 30 EGEDRM Cc1ncc(Cl)cc1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC001190937603 1367386754 /nfs/dbraw/zinc/38/67/54/1367386754.db2.gz PSXHSXREURMJFB-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(C3CC3)n2)c1 ZINC001190942867 1367387376 /nfs/dbraw/zinc/38/73/76/1367387376.db2.gz PVKNLAXYERMJFR-UHFFFAOYSA-N -1 0 333.800 3.285 20 30 EGEDRM CCCc1ccnc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC001190942328 1367387464 /nfs/dbraw/zinc/38/74/64/1367387464.db2.gz DHAHXQSNJKLQIY-UHFFFAOYSA-N -1 0 335.816 3.360 20 30 EGEDRM CCCCCCCCNC(=O)Nc1cccc(S(=O)(=O)[O-])c1 ZINC001191069084 1367416832 /nfs/dbraw/zinc/41/68/32/1367416832.db2.gz FTAUYAMXBROYEQ-UHFFFAOYSA-N -1 0 328.434 3.415 20 30 EGEDRM N#Cc1ccc(Br)cc1[N-]S(=O)(=O)CC1CCCC1 ZINC001191522709 1367521566 /nfs/dbraw/zinc/52/15/66/1367521566.db2.gz HDGQNBZYQSFLEE-UHFFFAOYSA-N -1 0 343.246 3.253 20 30 EGEDRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1cccc(C)c1C#N ZINC001191820561 1367600107 /nfs/dbraw/zinc/60/01/07/1367600107.db2.gz AKLVTCSOOZNQGA-UHFFFAOYSA-N -1 0 330.409 3.375 20 30 EGEDRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1cccc(F)c1C#N ZINC001191821120 1367600948 /nfs/dbraw/zinc/60/09/48/1367600948.db2.gz KQZRFLGLYFNLEY-UHFFFAOYSA-N -1 0 334.372 3.205 20 30 EGEDRM N#Cc1cc(F)c(C(=O)[N-]c2c(Cl)cnnc2Cl)c(F)c1 ZINC001191906816 1367632294 /nfs/dbraw/zinc/63/22/94/1367632294.db2.gz DYEWPSWIPOOTFB-UHFFFAOYSA-N -1 0 329.093 3.186 20 30 EGEDRM Cc1cc(Cl)ncc1S(=O)(=O)[N-]c1c(C#N)oc2ccccc21 ZINC001192318042 1367748143 /nfs/dbraw/zinc/74/81/43/1367748143.db2.gz WHUBTKKUTHPCLW-UHFFFAOYSA-N -1 0 347.783 3.462 20 30 EGEDRM C=CC[C@@H](NC(=O)c1cc(C(=O)OC)ccc1[O-])c1ccccc1 ZINC001192399585 1367773192 /nfs/dbraw/zinc/77/31/92/1367773192.db2.gz AZUHVYFHWRXKBN-MRXNPFEDSA-N -1 0 325.364 3.226 20 30 EGEDRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(CC#N)cc2)c1 ZINC001192805898 1367878199 /nfs/dbraw/zinc/87/81/99/1367878199.db2.gz USCRTNPXSHOKSC-UHFFFAOYSA-N -1 0 330.409 3.124 20 30 EGEDRM N#CCS(=O)(=O)[N-]c1cc(Cl)cc(Cl)c1Br ZINC001192978872 1367915064 /nfs/dbraw/zinc/91/50/64/1367915064.db2.gz KMUKEOPLEWURRT-UHFFFAOYSA-N -1 0 344.017 3.021 20 30 EGEDRM COc1ccc(CC2(NC(=O)c3ccc([O-])c(C#N)c3)CCC2)cc1 ZINC001193519046 1368051545 /nfs/dbraw/zinc/05/15/45/1368051545.db2.gz NLBGLNUCXPINEE-UHFFFAOYSA-N -1 0 336.391 3.168 20 30 EGEDRM N#Cc1ncc(NC(=O)c2ccc(F)c([O-])c2F)cc1C(F)(F)F ZINC001193770848 1368111972 /nfs/dbraw/zinc/11/19/72/1368111972.db2.gz RLWBRZVNNYHYNF-UHFFFAOYSA-N -1 0 343.211 3.208 20 30 EGEDRM Cc1cc(C#N)ccc1[N-]S(=O)(=O)c1ncccc1C(F)(F)F ZINC001194524446 1368279197 /nfs/dbraw/zinc/27/91/97/1368279197.db2.gz OEIZGLHWKOHNSG-UHFFFAOYSA-N -1 0 341.314 3.081 20 30 EGEDRM Cc1csc([N-]S(=O)(=O)c2ncccc2C(F)(F)F)c1C#N ZINC001194524888 1368279965 /nfs/dbraw/zinc/27/99/65/1368279965.db2.gz ZRXJICQMWCGHCA-UHFFFAOYSA-N -1 0 347.343 3.143 20 30 EGEDRM COc1cccc(C#N)c1[N-]S(=O)(=O)c1c(C)cccc1Cl ZINC001195308050 1368418170 /nfs/dbraw/zinc/41/81/70/1368418170.db2.gz CZRSRECYIGTNEZ-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM COCCCOc1ccc(F)cc1NC(=O)c1ccc(C#N)cc1[O-] ZINC001195751739 1368482787 /nfs/dbraw/zinc/48/27/87/1368482787.db2.gz XHIXPECGEHXNCR-UHFFFAOYSA-N -1 0 344.342 3.071 20 30 EGEDRM N#Cc1ccc(C(=O)N2CCC(c3[nH]nc4ccccc43)CC2)c([O-])c1 ZINC001195751913 1368482810 /nfs/dbraw/zinc/48/28/10/1368482810.db2.gz ZKHQREJEADPDLB-UHFFFAOYSA-N -1 0 346.390 3.160 20 30 EGEDRM N#Cc1cc(Cl)cc([N-]S(=O)(=O)c2ccc(Cl)cn2)c1 ZINC001196245035 1368575445 /nfs/dbraw/zinc/57/54/45/1368575445.db2.gz KCGKVOHAXPLKCV-UHFFFAOYSA-N -1 0 328.180 3.061 20 30 EGEDRM CCCc1ccnc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)c1 ZINC001196651597 1368656127 /nfs/dbraw/zinc/65/61/27/1368656127.db2.gz GNGNZACATRBIRN-UHFFFAOYSA-N -1 0 335.816 3.360 20 30 EGEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2cnoc2c1 ZINC001196680578 1368661179 /nfs/dbraw/zinc/66/11/79/1368661179.db2.gz RZHOYSJOLQCTQF-UHFFFAOYSA-N -1 0 333.756 3.154 20 30 EGEDRM COc1ccc(F)c(S(=O)(=O)[N-]c2c(C)ccc(C)c2C#N)c1 ZINC001196779695 1368682777 /nfs/dbraw/zinc/68/27/77/1368682777.db2.gz XHRDURBHMDNPCJ-UHFFFAOYSA-N -1 0 334.372 3.124 20 30 EGEDRM COc1nc(C(F)(F)F)c(C(=O)[N-]c2ccsc2C#N)s1 ZINC001196830824 1368692953 /nfs/dbraw/zinc/69/29/53/1368692953.db2.gz JCSVUDGOPJCPHB-UHFFFAOYSA-N -1 0 333.316 3.356 20 30 EGEDRM N#C[C@H](NC(=S)Nc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1 ZINC001197127658 1368749917 /nfs/dbraw/zinc/74/99/17/1368749917.db2.gz XUWDVJQTLNIUQE-AWEZNQCLSA-N -1 0 329.356 3.075 20 30 EGEDRM N#Cc1cc(NC(=O)c2ncc(-c3ccccc3)cn2)c([O-])cc1F ZINC001197251267 1368771218 /nfs/dbraw/zinc/77/12/18/1368771218.db2.gz WZTKGQWFHXOQFZ-UHFFFAOYSA-N -1 0 334.310 3.112 20 30 EGEDRM COc1cccc(CS(=O)(=O)[N-]c2ccc(Cl)cc2C#N)c1 ZINC001197379895 1368801643 /nfs/dbraw/zinc/80/16/43/1368801643.db2.gz FNHIHPBYIRFAAG-UHFFFAOYSA-N -1 0 336.800 3.162 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)n2)cc1Cl ZINC001198187972 1368976050 /nfs/dbraw/zinc/97/60/50/1368976050.db2.gz HPQJNCAHUGUKMX-UHFFFAOYSA-N -1 0 328.180 3.061 20 30 EGEDRM Cc1nc(Cl)sc1S(=O)(=O)[N-]c1cc(F)c(C#N)cc1C ZINC001201764265 1369619413 /nfs/dbraw/zinc/61/94/13/1369619413.db2.gz CWEKUILSEOWZLS-UHFFFAOYSA-N -1 0 345.808 3.225 20 30 EGEDRM Cc1nc(Cl)sc1S(=O)(=O)[N-]c1ccc(C#N)c(C)c1 ZINC001201764263 1369619660 /nfs/dbraw/zinc/61/96/60/1369619660.db2.gz CVEPVDHAOLLXKX-UHFFFAOYSA-N -1 0 327.818 3.086 20 30 EGEDRM N#Cc1ccc(Nc2cc(S(=O)(=O)[O-])ccc2Cl)cc1F ZINC001204073996 1370368193 /nfs/dbraw/zinc/36/81/93/1370368193.db2.gz DTYKVJCHSSWFDW-UHFFFAOYSA-N -1 0 326.736 3.341 20 30 EGEDRM N#CCc1cccc([N-]S(=O)(=O)c2cc3c(s2)CCCC3)c1 ZINC001187214737 1388073478 /nfs/dbraw/zinc/07/34/78/1388073478.db2.gz CXEBPVYUARRHCW-UHFFFAOYSA-N -1 0 332.450 3.494 20 30 EGEDRM COc1cc(C#N)ccc1Nc1ccc(Cl)cc1S(=O)(=O)[O-] ZINC001209434095 1372105522 /nfs/dbraw/zinc/10/55/22/1372105522.db2.gz XHLUFMHPBDNUNW-UHFFFAOYSA-N -1 0 338.772 3.211 20 30 EGEDRM COc1ccc(Nc2cccc(C#CC(C)(C)O)c2)cc1C(=O)[O-] ZINC001209903318 1372228740 /nfs/dbraw/zinc/22/87/40/1372228740.db2.gz ZKMDCMSSEZNNEF-UHFFFAOYSA-N -1 0 325.364 3.259 20 30 EGEDRM CCc1nc(C)c(C([O-])=C(C#N)c2nccn2Cc2ccccc2)o1 ZINC001122607235 1372283147 /nfs/dbraw/zinc/28/31/47/1372283147.db2.gz XGNAKISFBBXGCH-OAHLLOKOSA-N -1 0 334.379 3.280 20 30 EGEDRM N#Cc1cc(Br)c(F)cc1Nc1ccc(C(=O)[O-])nc1 ZINC001210177065 1372288544 /nfs/dbraw/zinc/28/85/44/1372288544.db2.gz NGPRWGFUJZNWRY-UHFFFAOYSA-N -1 0 336.120 3.297 20 30 EGEDRM Cc1cn(-c2ccc(F)cc2)nc1C([O-])=C(C#N)c1cccc(F)n1 ZINC001122643667 1372290776 /nfs/dbraw/zinc/29/07/76/1372290776.db2.gz KLDJWJRUVUEOSO-CQSZACIVSA-N -1 0 338.317 3.344 20 30 EGEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1ncc(C)cc1C)c1ccccc1 ZINC001122954771 1372347317 /nfs/dbraw/zinc/34/73/17/1372347317.db2.gz FKKXIDKBQGDWIV-DLBZAZTESA-N -1 0 335.407 3.288 20 30 EGEDRM CCn1cc(C([O-])=C(C#N)c2nccn2CC)c(-c2ccccc2)n1 ZINC001123337646 1372431562 /nfs/dbraw/zinc/43/15/62/1372431562.db2.gz SDPUPIOZJWMZEY-HNNXBMFYSA-N -1 0 333.395 3.276 20 30 EGEDRM N#CCc1cccc([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)c1 ZINC001187969333 1388200637 /nfs/dbraw/zinc/20/06/37/1388200637.db2.gz OCWJLYMEBNKPMG-UHFFFAOYSA-N -1 0 342.207 3.255 20 30 EGEDRM CCOC(=O)c1c(C)oc(Nc2cc(C)cc(C(=O)[O-])c2)c1C#N ZINC001211539515 1372576214 /nfs/dbraw/zinc/57/62/14/1372576214.db2.gz YJLCGBOYVYUVRK-UHFFFAOYSA-N -1 0 328.324 3.387 20 30 EGEDRM CCCCCCCCS(=O)(=O)[N-]c1ccc(C)cc1C(N)=O ZINC001188017924 1388216633 /nfs/dbraw/zinc/21/66/33/1388216633.db2.gz KYVFNKBGTYTEQG-UHFFFAOYSA-N -1 0 326.462 3.196 20 30 EGEDRM N#CCOc1ccccc1Nc1cc(S(=O)(=O)[O-])ccc1Cl ZINC001212603654 1372736208 /nfs/dbraw/zinc/73/62/08/1372736208.db2.gz KSNOEZNAFLACNO-UHFFFAOYSA-N -1 0 338.772 3.233 20 30 EGEDRM CCOC(=O)c1c(C)oc(Nc2ccc(CCC(=O)[O-])cc2)c1C#N ZINC001213625512 1372936105 /nfs/dbraw/zinc/93/61/05/1372936105.db2.gz DSTRMSMQZFSBKJ-UHFFFAOYSA-N -1 0 342.351 3.397 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)N[C@H](C)C2CCCCCC2)cc1C#N ZINC001127862802 1373191709 /nfs/dbraw/zinc/19/17/09/1373191709.db2.gz VZNBYAPXMALLFN-LLVKDONJSA-N -1 0 333.457 3.469 20 30 EGEDRM N#Cc1cc(Nc2ncc(F)cc2[O-])ccc1OC1CCOCC1 ZINC001216666291 1373328855 /nfs/dbraw/zinc/32/88/55/1373328855.db2.gz VYIIWXDQDLLGDA-UHFFFAOYSA-N -1 0 329.331 3.099 20 30 EGEDRM N#Cc1ccc(F)c(-c2noc(-c3cc([O-])c(F)cc3[N+](=O)[O-])n2)c1 ZINC001216950023 1373369313 /nfs/dbraw/zinc/36/93/13/1373369313.db2.gz FZFAXWJMNMZOEE-UHFFFAOYSA-N -1 0 344.233 3.167 20 30 EGEDRM CCOc1cc(-c2noc(-c3ccc([O-])c(C#N)c3)n2)ccc1OC ZINC001216969444 1373372877 /nfs/dbraw/zinc/37/28/77/1373372877.db2.gz FDENQKNCZNRLJM-UHFFFAOYSA-N -1 0 337.335 3.388 20 30 EGEDRM N#Cc1cc(-c2nc(-c3ccc(-n4ccnc4)cc3)no2)ccc1[O-] ZINC001216970057 1373373350 /nfs/dbraw/zinc/37/33/50/1373373350.db2.gz ZNVYLPBZEBSHPU-UHFFFAOYSA-N -1 0 329.319 3.167 20 30 EGEDRM COc1ncc(Cl)cc1-c1noc(-c2cccc(C#N)c2[O-])n1 ZINC001216980143 1373374770 /nfs/dbraw/zinc/37/47/70/1373374770.db2.gz REAFCERMIWDECU-UHFFFAOYSA-N -1 0 328.715 3.038 20 30 EGEDRM N#Cc1ccc(-c2nc(-c3ncccc3Br)no2)c([O-])c1 ZINC001217039172 1373382183 /nfs/dbraw/zinc/38/21/83/1373382183.db2.gz OHIBPRMSVADUHD-UHFFFAOYSA-N -1 0 343.140 3.138 20 30 EGEDRM C=CC[C@H](NC(=O)N[C@H](C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC001326931960 1388354249 /nfs/dbraw/zinc/35/42/49/1388354249.db2.gz WOZWOQFMTBPLSK-SKDRFNHKSA-N -1 0 330.306 3.095 20 30 EGEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])OCCCCC1CCCCC1 ZINC001224766516 1375075540 /nfs/dbraw/zinc/07/55/40/1375075540.db2.gz IQSTWZCASZAYNY-INIZCTEOSA-N -1 0 334.478 3.213 20 30 EGEDRM COc1ccc([C@@H](C)Oc2[n-]c(=O)cc(C(F)(F)F)c2C#N)cn1 ZINC001226065298 1375198367 /nfs/dbraw/zinc/19/83/67/1375198367.db2.gz SYRNSVLLUDFBOW-MRVPVSSYSA-N -1 0 339.273 3.221 20 30 EGEDRM CCOC(=O)[C@H](CC(C)C)Oc1[n-]c(=O)cc(C(F)(F)F)c1C#N ZINC001226063874 1375198482 /nfs/dbraw/zinc/19/84/82/1375198482.db2.gz LRFYIOWNJXDQPX-NSHDSACASA-N -1 0 346.305 3.034 20 30 EGEDRM C#C[C@H](Oc1ccc(O)cc1S(=O)(=O)[O-])[C@@H](CC)CCCC ZINC001226411923 1375255556 /nfs/dbraw/zinc/25/55/56/1375255556.db2.gz AIUSLMCDGJZPLH-JSGCOSHPSA-N -1 0 326.414 3.236 20 30 EGEDRM Cc1nc(C(F)(F)F)ccc1C(=O)Nc1cc(C#N)c(F)cc1[O-] ZINC001188735318 1388369772 /nfs/dbraw/zinc/36/97/72/1388369772.db2.gz VEEKYMLLXRQAKV-UHFFFAOYSA-N -1 0 339.248 3.378 20 30 EGEDRM CC[C@H](C#Cc1ccccc1)Oc1n[n-]c(=O)cc1Br ZINC001226851343 1375346395 /nfs/dbraw/zinc/34/63/95/1375346395.db2.gz ZALPBOYNRCLNOF-GFCCVEGCSA-N -1 0 333.185 3.154 20 30 EGEDRM CC[C@@H](C#Cc1ccccc1)Oc1n[n-]c(=O)cc1Br ZINC001226851346 1375346731 /nfs/dbraw/zinc/34/67/31/1375346731.db2.gz ZALPBOYNRCLNOF-LBPRGKRZSA-N -1 0 333.185 3.154 20 30 EGEDRM C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1Oc1[n-]c(=O)ccc1C#N ZINC001228899291 1375709430 /nfs/dbraw/zinc/70/94/30/1375709430.db2.gz UGJUBPOVJHKMFK-TZMCWYRMSA-N -1 0 347.415 3.073 20 30 EGEDRM CCOc1cccc(OCC)c1C(=O)Nc1ccc(O)c(C#N)c1 ZINC001188879010 1388398426 /nfs/dbraw/zinc/39/84/26/1388398426.db2.gz NUXXGPHLQSAMSR-UHFFFAOYSA-N -1 0 326.352 3.314 20 30 EGEDRM Cc1cccc(CS(=O)(=O)[N-]c2nc(Cl)cc(C)c2C#N)c1 ZINC001259744322 1377123764 /nfs/dbraw/zinc/12/37/64/1377123764.db2.gz FHBYADDKDAVDLF-UHFFFAOYSA-N -1 0 335.816 3.165 20 30 EGEDRM Cc1cc(C#N)c(NC(=O)c2cc(=O)c3cccc(O)c3[n-]2)s1 ZINC001152669696 1379966977 /nfs/dbraw/zinc/96/69/77/1379966977.db2.gz LTWKAAZRGPYPKD-UHFFFAOYSA-N -1 0 325.349 3.140 20 30 EGEDRM CCC[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1ccccc1C#N ZINC001328267050 1388705382 /nfs/dbraw/zinc/70/53/82/1388705382.db2.gz ZRURJQQWGUEYHO-HNNXBMFYSA-N -1 0 348.468 3.360 20 30 EGEDRM CSc1nc(-c2ccccc2)nc(NCc2cc(=O)[n-]o2)c1C#N ZINC001158563251 1381301425 /nfs/dbraw/zinc/30/14/25/1381301425.db2.gz FACUVFKHSZPHCF-UHFFFAOYSA-N -1 0 339.380 3.043 20 30 EGEDRM C=C1CC=C(F)C=C1NC(F)(F)c1cc(Cl)nnc1C(=O)[O-] ZINC001160718994 1382177913 /nfs/dbraw/zinc/17/79/13/1382177913.db2.gz AFIFTBQAXWLUBT-UHFFFAOYSA-N -1 0 331.681 3.164 20 30 EGEDRM Cc1cc(F)cc2c(O)c(C(=O)N3CCc4cc(C#N)ccc43)cnc12 ZINC001299232162 1383490660 /nfs/dbraw/zinc/49/06/60/1383490660.db2.gz YVNNKSUEIVKSMO-UHFFFAOYSA-N -1 0 347.349 3.050 20 30 EGEDRM N#Cc1cnn(C2CCOCC2)c1Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001175315168 1385249212 /nfs/dbraw/zinc/24/92/12/1385249212.db2.gz OMBVDWAMSVTXHY-UHFFFAOYSA-N -1 0 346.774 3.201 20 30 EGEDRM COC(=O)c1cc(C#N)ccc1Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001175319779 1385251726 /nfs/dbraw/zinc/25/17/26/1385251726.db2.gz FRVWYYKIBLCCIJ-UHFFFAOYSA-N -1 0 330.727 3.440 20 30 EGEDRM CCCCCn1nc(C)cc1[N-]S(=O)(=O)c1ccc(CC#N)cc1 ZINC001318935093 1385886922 /nfs/dbraw/zinc/88/69/22/1385886922.db2.gz WOKHTWHOKRUSQM-UHFFFAOYSA-N -1 0 346.456 3.249 20 30 EGEDRM Cc1cccc(S(=O)(=O)[N-]c2ccc(OCC#N)cc2)c1Cl ZINC001319826465 1386320689 /nfs/dbraw/zinc/32/06/89/1386320689.db2.gz LNAYFGAEVZLZGI-UHFFFAOYSA-N -1 0 336.800 3.352 20 30 EGEDRM CC[C@@H](C)n1nc([N-]S(=O)(=O)c2ccc(CC#N)cc2)cc1C ZINC001319827644 1386321668 /nfs/dbraw/zinc/32/16/68/1386321668.db2.gz UOPGBLZVHKSGEX-GFCCVEGCSA-N -1 0 332.429 3.029 20 30 EGEDRM N#Cc1cccc([N-]S(=O)(=O)c2cnc(Cl)cc2Cl)c1 ZINC001319932541 1386400927 /nfs/dbraw/zinc/40/09/27/1386400927.db2.gz AKDWNAZJUSYACZ-UHFFFAOYSA-N -1 0 328.180 3.061 20 30 EGEDRM Cn1cc(-c2ccc(/C=C\c3nc(C(=O)[O-])ccc3C#N)cc2)cn1 ZINC001321071520 1386801227 /nfs/dbraw/zinc/80/12/27/1386801227.db2.gz CZCZZHIONUAOHM-YWEYNIOJSA-N -1 0 330.347 3.222 20 30 EGEDRM C=CC[C@H](NC(=O)NCC1(Sc2ccccc2)CCCC1)C(=O)[O-] ZINC001321111790 1386812744 /nfs/dbraw/zinc/81/27/44/1386812744.db2.gz UFSRANRNCRPYOB-HNNXBMFYSA-N -1 0 348.468 3.420 20 30 EGEDRM C=CC[C@@H](NC(=O)Nc1ccc(SC(F)(F)F)cc1)C(=O)[O-] ZINC001321112735 1386812856 /nfs/dbraw/zinc/81/28/56/1386812856.db2.gz ZLSBXRBWMFBYRU-SNVBAGLBSA-N -1 0 334.319 3.449 20 30 EGEDRM C=CC[C@H](NC(=O)NCC1CCC(c2ccccc2)CC1)C(=O)[O-] ZINC001321145517 1386821972 /nfs/dbraw/zinc/82/19/72/1386821972.db2.gz UJMBNMZSZWTLJR-PREGVCBESA-N -1 0 330.428 3.289 20 30 EGEDRM C=CC[C@H](NC(=O)Nc1ccc(N2CCCC2)c(Cl)c1)C(=O)[O-] ZINC001321278484 1386864710 /nfs/dbraw/zinc/86/47/10/1386864710.db2.gz SNOHGBJLPMTGHX-ZDUSSCGKSA-N -1 0 337.807 3.091 20 30 EGEDRM C=CC[C@H](NC(=O)Nc1ccc(COc2ccccc2)cc1)C(=O)[O-] ZINC001321582709 1386935095 /nfs/dbraw/zinc/93/50/95/1386935095.db2.gz KEFYNTBMQINOSY-KRWDZBQOSA-N -1 0 340.379 3.416 20 30 EGEDRM C=CC[C@@H](NC(=O)c1ccc(COc2ccccc2)cc1)C(=O)[O-] ZINC001322598330 1387210983 /nfs/dbraw/zinc/21/09/83/1387210983.db2.gz AWFNNECZFKSKMY-QGZVFWFLSA-N -1 0 325.364 3.025 20 30 EGEDRM CCCN(Cc1cccc(C#N)n1)Cc1nc(=O)c2sccc2[n-]1 ZINC001332962241 1390225970 /nfs/dbraw/zinc/22/59/70/1390225970.db2.gz WBFZWUCOMYJUFW-UHFFFAOYSA-N -1 0 339.424 3.076 20 30 EGEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1ccc2scnc2c1 ZINC001342037562 1390563933 /nfs/dbraw/zinc/56/39/33/1390563933.db2.gz VKCMJMYNRYRWNC-ZDUSSCGKSA-N -1 0 327.409 3.068 20 30 EGEDRM N#CC(=C([O-])c1ocnc1C1CC1)c1nccn1Cc1ccccc1 ZINC001343704702 1390732105 /nfs/dbraw/zinc/73/21/05/1390732105.db2.gz LRELURBCMFJRSD-OAHLLOKOSA-N -1 0 332.363 3.287 20 30 EGEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1cnc(C2CC2)o1)c1ccccc1 ZINC001344525887 1390797407 /nfs/dbraw/zinc/79/74/07/1390797407.db2.gz GHEOSYSSUKAEQU-HUUCEWRRSA-N -1 0 337.379 3.142 20 30 EGEDRM COc1cccn2ncc(C([O-])=C(C#N)c3nc(C4CC4)cs3)c12 ZINC001344966074 1390828031 /nfs/dbraw/zinc/82/80/31/1390828031.db2.gz OHOCCBBTAPTKML-NSHDSACASA-N -1 0 338.392 3.167 20 30 EGEDRM CC(=NNc1cc(-c2nnn[n-]2)cc(Cl)n1)c1cc(C)ccc1F ZINC000823953844 1428747076 /nfs/dbraw/zinc/74/70/76/1428747076.db2.gz SBYHIDOVJXPPEY-UHFFFAOYSA-N -1 0 345.769 3.199 20 30 EGEDRM Cc1ccc2c(c1C)C(=O)C(=Cc1ccc(-c3nn[n-]n3)cc1)CO2 ZINC000737379531 1429001097 /nfs/dbraw/zinc/00/10/97/1429001097.db2.gz YYXBBEONJYDZHA-OQLLNIDSSA-N -1 0 332.363 3.142 20 30 EGEDRM C=CCC[C@@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000819734375 1429280789 /nfs/dbraw/zinc/28/07/89/1429280789.db2.gz NFMRYMKRMFDALC-GOSISDBHSA-N -1 0 347.422 3.233 20 30 EGEDRM C=CCCCCCN(C)c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000735408155 1429505160 /nfs/dbraw/zinc/50/51/60/1429505160.db2.gz GSUBXGLRFXZEOM-UHFFFAOYSA-N -1 0 340.353 3.463 20 30 EGEDRM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1cc(F)cc(F)c1 ZINC000822922491 1425491264 /nfs/dbraw/zinc/49/12/64/1425491264.db2.gz GNJDDWYMEADLKZ-ARJAWSKDSA-N -1 0 330.269 3.180 20 30 EGEDRM C#CCCCCCC(=O)Nc1cc(-c2nn[n-]n2)ccc1NCCC ZINC000823840871 1425662402 /nfs/dbraw/zinc/66/24/02/1425662402.db2.gz GBGMRBKAXIIYRI-UHFFFAOYSA-N -1 0 340.431 3.211 20 30 EGEDRM c1ccc(CCCNN=C2CCCc3cc(-c4nn[n-]n4)ccc32)cc1 ZINC000823780716 1426071971 /nfs/dbraw/zinc/07/19/71/1426071971.db2.gz UXRVKQWTVBCSJU-UHFFFAOYSA-N -1 0 346.438 3.130 20 30 EGEDRM C=CCOc1ccc(C(=O)N(CC)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000823931622 1426345665 /nfs/dbraw/zinc/34/56/65/1426345665.db2.gz BPEGHAUMDQRCOR-UHFFFAOYSA-N -1 0 349.394 3.098 20 30 EGEDRM CCOc1ccc(C#N)cc1N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736636081 1426755848 /nfs/dbraw/zinc/75/58/48/1426755848.db2.gz HILMLXCHFXNSKN-GFCCVEGCSA-N -1 0 334.383 3.310 20 30 EGEDRM O=C1c2cc(F)cc(F)c2CC1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826476055 1430063288 /nfs/dbraw/zinc/06/32/88/1430063288.db2.gz ZTWDQUKPJOOACR-YCRREMRBSA-N -1 0 342.280 3.106 20 30 EGEDRM C#CC[C@@H](N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000823838641 1441467314 /nfs/dbraw/zinc/46/73/14/1441467314.db2.gz SIBZFAGNDNDXEA-SCLBCKFNSA-N -1 0 335.386 3.421 20 30 EGEDRM O=C(C=Cc1ccc(O)c(Cl)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000826401285 1441613480 /nfs/dbraw/zinc/61/34/80/1441613480.db2.gz URNIXTARRIRADN-RQOWECAXSA-N -1 0 332.772 3.183 20 30 EGEDRM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1ccc(OC(F)F)cc1 ZINC000826401894 1441698714 /nfs/dbraw/zinc/69/87/14/1441698714.db2.gz JAXHRWICRFXESF-JXMROGBWSA-N -1 0 342.305 3.364 20 30 EGEDRM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(F)c(F)c1 ZINC000826401401 1442243124 /nfs/dbraw/zinc/24/31/24/1442243124.db2.gz XQMDYCBOYPHTCK-QHHAFSJGSA-N -1 0 330.269 3.180 20 30 EGEDRM Cc1cc2ccccc2nc1NN=Cc1ccc(-c2nn[n-]n2)s1 ZINC000826273013 1446195248 /nfs/dbraw/zinc/19/52/48/1446195248.db2.gz LXZCJDVMZFUBRQ-UHFFFAOYSA-N -1 0 335.396 3.231 20 30 EGEDRM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1cnn(-c2ccccc2)c1 ZINC000822930414 1446401737 /nfs/dbraw/zinc/40/17/37/1446401737.db2.gz ZSEGSCWKMSMUSI-VURMDHGXSA-N -1 0 348.391 3.010 20 30 EGEDRM COc1ccc(C=CC(=O)c2cc(C)ccc2C)cc1-c1nn[n-]n1 ZINC000737082730 1446659657 /nfs/dbraw/zinc/65/96/57/1446659657.db2.gz YUIOTCXUXIQDPQ-VURMDHGXSA-N -1 0 334.379 3.388 20 30 EGEDRM C=C[C@H](CC(=O)OCc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000823883210 1446915548 /nfs/dbraw/zinc/91/55/48/1446915548.db2.gz KVAOFJUSDYVUBM-OAHLLOKOSA-N -1 0 334.379 3.270 20 30 EGEDRM C#Cc1cccc(NC(=O)N[C@@H](C(=O)[O-])c2ccc(F)c(C)c2)c1 ZINC000797737143 939199975 /nfs/dbraw/zinc/19/99/75/939199975.db2.gz RQUBUGFDWRVKSI-MRXNPFEDSA-N -1 0 326.327 3.063 20 30 EGEDRM C=C[C@@H](CC)CC(=O)N[C@H](C(=O)[O-])c1ccc(OC)c(Cl)c1 ZINC000907673698 939300735 /nfs/dbraw/zinc/30/07/35/939300735.db2.gz QYGBHDGJCSVGPN-BONVTDFDSA-N -1 0 325.792 3.193 20 30 EGEDRM C=CC(C)(C)CC(=O)N[C@@H](C(=O)[O-])c1ccc(Br)cc1 ZINC000908909829 939349453 /nfs/dbraw/zinc/34/94/53/939349453.db2.gz APYRJMPOHTYSJS-CYBMUJFWSA-N -1 0 340.217 3.293 20 30 EGEDRM C=CCC[C@@H](NC(=O)NC1(C(=O)[O-])CCSCC1)c1ccccc1 ZINC000929045360 939802006 /nfs/dbraw/zinc/80/20/06/939802006.db2.gz QPENMCAQIGATJK-OAHLLOKOSA-N -1 0 348.468 3.344 20 30 EGEDRM C#C[C@@H](NC(=O)[C@]1(C(=O)[O-])CC=CCC1)c1ccc(Cl)cc1F ZINC001602673436 971240306 /nfs/dbraw/zinc/24/03/06/971240306.db2.gz URWNSKKGFZJBKB-PBHICJAKSA-N -1 0 335.762 3.081 20 30 EGEDRM C=CC1(CC(=O)Nc2nc3ccccn3c2C(=O)[O-])CCCCC1 ZINC001602717454 971367541 /nfs/dbraw/zinc/36/75/41/971367541.db2.gz NACANJQMFLNQHY-UHFFFAOYSA-N -1 0 327.384 3.498 20 30 EGEDRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)Nc2ccccc2O[C@@H](C)C#N)C1 ZINC001589598516 949187632 /nfs/dbraw/zinc/18/76/32/949187632.db2.gz OMWZLFDXCWSORI-SCLBCKFNSA-N -1 0 345.399 3.086 20 30 EGEDRM C[C@@H]1CCc2sc(NC(=O)[C@H](C(=O)[O-])C3CC3)c(C#N)c2[C@H]1C ZINC001589365802 954191113 /nfs/dbraw/zinc/19/11/13/954191113.db2.gz WMSOUMOWNSWHGW-TVLCNXBWSA-N -1 0 332.425 3.355 20 30 EGEDRM CCC(=O)c1cccc(C#N)c1OCCOc1ccccc1C(=O)[O-] ZINC001589426862 954635112 /nfs/dbraw/zinc/63/51/12/954635112.db2.gz XTOVYJMBAGXYPV-UHFFFAOYSA-N -1 0 339.347 3.307 20 30 EGEDRM N#C[C@H](CCc1ccccc1)C(=O)N1CC[C@H](C(=O)[O-])c2ccccc21 ZINC001594602811 956152529 /nfs/dbraw/zinc/15/25/29/956152529.db2.gz ZJQZVOJWLFZAJY-WMZOPIPTSA-N -1 0 348.402 3.364 20 30 EGEDRM N#Cc1csc(CN2C[C@@H](CCC(=O)[O-])Cc3ccccc32)n1 ZINC001594634595 956363431 /nfs/dbraw/zinc/36/34/31/956363431.db2.gz MMIRDVZJOPNZJT-LBPRGKRZSA-N -1 0 327.409 3.058 20 30 EGEDRM N#Cc1cccc(NCc2ccc(N3CCC(C(=O)[O-])CC3)o2)c1 ZINC000904189467 956916181 /nfs/dbraw/zinc/91/61/81/956916181.db2.gz NXGRYDLXWPELOQ-UHFFFAOYSA-N -1 0 325.368 3.064 20 30 EGEDRM Cc1cc(C#N)cc(C)c1CC(=O)N1CCCc2cc(C(=O)[O-])ccc21 ZINC001594274135 957703260 /nfs/dbraw/zinc/70/32/60/957703260.db2.gz SNWPSVNMYCBGEW-UHFFFAOYSA-N -1 0 348.402 3.395 20 30 EGEDRM Cc1cc(C(=O)[O-])cc(C(=O)Nc2ccnn2-c2ccc(C#N)cc2)c1 ZINC001594289003 957806277 /nfs/dbraw/zinc/80/62/77/957806277.db2.gz NJBXJDDNVLSDNJ-UHFFFAOYSA-N -1 0 346.346 3.003 20 30 EGEDRM COc1cc([C@H](C)NC(=O)[C@@](C)(C#N)CC(=O)[O-])cc2ccccc21 ZINC001594052571 958002269 /nfs/dbraw/zinc/00/22/69/958002269.db2.gz NSOGOSZLRHSDIK-HXPMCKFVSA-N -1 0 340.379 3.030 20 30 EGEDRM C#CCCOc1ccc(C(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC001588395271 958039821 /nfs/dbraw/zinc/03/98/21/958039821.db2.gz FBZCRVUBWDVWRK-RTBURBONSA-N -1 0 349.386 3.132 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)Nc1cc(C)ccc1Oc1ccccc1 ZINC001588411304 958149410 /nfs/dbraw/zinc/14/94/10/958149410.db2.gz VQHUXZOXDURWII-UHFFFAOYSA-N -1 0 338.363 3.339 20 30 EGEDRM N#Cc1ccc(CSCC(=O)Nc2ccc(CC(=O)[O-])cc2)cc1 ZINC000096582311 958337130 /nfs/dbraw/zinc/33/71/30/958337130.db2.gz YKIXUKKNSOKWBV-UHFFFAOYSA-N -1 0 340.404 3.057 20 30 EGEDRM C=CCCCCCCNC(=O)N1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC000391478638 972340484 /nfs/dbraw/zinc/34/04/84/972340484.db2.gz XWIQEPPPYYGGHN-AWEZNQCLSA-N -1 0 336.354 3.172 20 30 EGEDRM C=C(C)c1cccc(NC(=O)N(CCC(=O)[O-])C2CCOCC2)c1 ZINC001588444434 958359437 /nfs/dbraw/zinc/35/94/37/958359437.db2.gz BYUPEWASVAXJSA-UHFFFAOYSA-N -1 0 332.400 3.207 20 30 EGEDRM C=C1CCC(CNC(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)CC1 ZINC001588445120 958370671 /nfs/dbraw/zinc/37/06/71/958370671.db2.gz BDTUIGCDKHFCPV-LJQANCHMSA-N -1 0 330.428 3.075 20 30 EGEDRM C=CC[C@H](Cc1ccccc1)NC(=O)NCc1ccccc1C(=O)[O-] ZINC001588452826 958428159 /nfs/dbraw/zinc/42/81/59/958428159.db2.gz KJPRVJRNPUDOAX-QGZVFWFLSA-N -1 0 338.407 3.371 20 30 EGEDRM C=CC[C@H](Cc1ccccc1)NC(=O)C1(C(=O)[O-])C(C)(C)C1(C)C ZINC001588452955 958430229 /nfs/dbraw/zinc/43/02/29/958430229.db2.gz MKEUKJGHPADKRV-OAHLLOKOSA-N -1 0 329.440 3.427 20 30 EGEDRM C=CC[C@@H](Cc1ccccc1)NC(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001588453136 958431938 /nfs/dbraw/zinc/43/19/38/958431938.db2.gz PFZUQQVXESHKNR-PABFRNLHSA-N -1 0 325.364 3.295 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCC[C@H](c2ccccc2)CC1 ZINC001588538955 958948584 /nfs/dbraw/zinc/94/85/84/958948584.db2.gz RSHGEGHAEJOCQP-FRQCXROJSA-N -1 0 328.412 3.224 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NCC1(c2cccc(F)c2)CCCCC1 ZINC001588556443 959056700 /nfs/dbraw/zinc/05/67/00/959056700.db2.gz DFHOGFZTKMSJHH-SFHVURJKSA-N -1 0 346.402 3.148 20 30 EGEDRM N#CCc1ccc(NC(=O)N2CCc3ccc(C(=O)[O-])cc3C2)cc1 ZINC000392756346 972517308 /nfs/dbraw/zinc/51/73/08/972517308.db2.gz MXKNSUAHEQGXNT-UHFFFAOYSA-N -1 0 335.363 3.041 20 30 EGEDRM Cc1ccc(CN(CC(C)C)C(=O)[C@](C)(C#N)CC(=O)[O-])c(C)c1 ZINC001574366427 961037960 /nfs/dbraw/zinc/03/79/60/961037960.db2.gz FDGOCKZXEGLFHQ-IBGZPJMESA-N -1 0 330.428 3.293 20 30 EGEDRM Cc1ccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])cc1OCCC(C)C ZINC001574374494 961081794 /nfs/dbraw/zinc/08/17/94/961081794.db2.gz WYCFFEDCFFMWOG-SFHVURJKSA-N -1 0 332.400 3.363 20 30 EGEDRM CCCC[C@H](ON=C(C)C)C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC001573841517 961082913 /nfs/dbraw/zinc/08/29/13/961082913.db2.gz UPUXCMXTYKYCMM-LPHOPBHVSA-N -1 0 348.443 3.116 20 30 EGEDRM CCCN(CCC)c1ccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])cc1 ZINC001573854990 961144590 /nfs/dbraw/zinc/14/45/90/961144590.db2.gz MQKBGEZMCRHVTJ-GOSISDBHSA-N -1 0 331.416 3.256 20 30 EGEDRM N#C[C@H](CCc1ccccc1)C(=O)NC1(CC(=O)[O-])CCCCC1 ZINC001574475202 961644973 /nfs/dbraw/zinc/64/49/73/961644973.db2.gz WZKFSMKXGJKNAB-INIZCTEOSA-N -1 0 328.412 3.053 20 30 EGEDRM N#Cc1ccccc1Oc1ccc(NC(=O)[C@H]2CC[C@H]2C(=O)[O-])cc1 ZINC001574493446 961719223 /nfs/dbraw/zinc/71/92/23/961719223.db2.gz MDPUGKYJLPIXIS-JKSUJKDBSA-N -1 0 336.347 3.400 20 30 EGEDRM CC(C)C[C@@H](CNC(=O)Nc1ccc(C2CC2)c(C#N)c1)C(=O)[O-] ZINC001588852746 961947943 /nfs/dbraw/zinc/94/79/43/961947943.db2.gz GUZVXEDZZQXHND-AWEZNQCLSA-N -1 0 329.400 3.304 20 30 EGEDRM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC001574587977 962119042 /nfs/dbraw/zinc/11/90/42/962119042.db2.gz PARMXIUFMYJSQU-MOPGFXCFSA-N -1 0 333.387 3.070 20 30 EGEDRM C=C(C)CN(Cc1ccc(CO)o1)Cc1cc(C(=O)[O-])ccc1OC ZINC001573324217 962781303 /nfs/dbraw/zinc/78/13/03/962781303.db2.gz OZBGMMQBUAKFCH-UHFFFAOYSA-N -1 0 345.395 3.057 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N(Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC001573331808 962816812 /nfs/dbraw/zinc/81/68/12/962816812.db2.gz BHSHKCLDTNSVEB-UHFFFAOYSA-N -1 0 343.423 3.314 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)NCc1ccc(OCc2ccccc2)cc1 ZINC001573332418 962832618 /nfs/dbraw/zinc/83/26/18/962832618.db2.gz IYEUBNWZLYLVJI-UHFFFAOYSA-N -1 0 339.391 3.303 20 30 EGEDRM C=CCCC[C@@H](NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1)c1ccccc1 ZINC001573366566 963060163 /nfs/dbraw/zinc/06/01/63/963060163.db2.gz MSHJRGLENMEDJT-OAHLLOKOSA-N -1 0 348.424 3.089 20 30 EGEDRM C=C1CCC(CNC(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)CC1 ZINC001588445800 964066966 /nfs/dbraw/zinc/06/69/66/964066966.db2.gz SMJSZZGTOSODMY-ZWKOTPCHSA-N -1 0 342.439 3.243 20 30 EGEDRM C#C[C@@H](CCC)NC(=O)Nc1cc(C(=O)[O-])ccc1Br ZINC000230014594 967724125 /nfs/dbraw/zinc/72/41/25/967724125.db2.gz QANJHQLXVIGPKC-JTQLQIEISA-N -1 0 339.189 3.071 20 30 EGEDRM C[C@@H]1CCN(c2ccc(C#N)c(Br)c2F)C[C@H]1C(=O)[O-] ZINC000693446525 968933665 /nfs/dbraw/zinc/93/36/65/968933665.db2.gz MTAJEORERAHCPR-PSASIEDQSA-N -1 0 341.180 3.007 20 30 EGEDRM C[C@@H]1CCN(c2ccc(C#N)c(Br)c2F)C[C@@H]1C(=O)[O-] ZINC000693446535 968933845 /nfs/dbraw/zinc/93/38/45/968933845.db2.gz MTAJEORERAHCPR-SCZZXKLOSA-N -1 0 341.180 3.007 20 30 EGEDRM N#Cc1ccc(C(=O)N2C[C@@H](CCC(=O)[O-])Cc3ccccc32)cc1 ZINC000902822346 969570596 /nfs/dbraw/zinc/57/05/96/969570596.db2.gz VXTKXMSPWLJUHM-HNNXBMFYSA-N -1 0 334.375 3.242 20 30 EGEDRM CC(C)(c1ccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])cc1)C(F)(F)F ZINC001609692953 970451695 /nfs/dbraw/zinc/45/16/95/970451695.db2.gz HWIZMULSDJLUSA-OAHLLOKOSA-N -1 0 342.317 3.470 20 30 EGEDRM C[C@@H](C(=O)[O-])c1noc(-c2cccc(COc3ccc(C#N)cc3)c2)n1 ZINC001609718110 970495411 /nfs/dbraw/zinc/49/54/11/970495411.db2.gz KJERDUMYGUMLGG-GFCCVEGCSA-N -1 0 349.346 3.375 20 30 EGEDRM C=CCCCCNS(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC000319383693 970530691 /nfs/dbraw/zinc/53/06/91/970530691.db2.gz XDOCIRVJEWNIOA-UHFFFAOYSA-N -1 0 339.438 3.234 20 30 EGEDRM Cc1c2cc(C#N)ccc2sc1C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC001605076765 972706398 /nfs/dbraw/zinc/70/63/98/972706398.db2.gz DQDASPCDDKVILR-ZDUSSCGKSA-N -1 0 342.420 3.408 20 30 EGEDRM CC(C)Oc1ccc(NC(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)cc1C#N ZINC001591786576 975957151 /nfs/dbraw/zinc/95/71/51/975957151.db2.gz ITBFFIKZCPNPAG-HNNXBMFYSA-N -1 0 347.415 3.356 20 30 EGEDRM CC(C)Oc1ccc(NC(=S)NN=C2CCC[C@H](C(=O)[O-])C2)cc1 ZINC001591788534 975973966 /nfs/dbraw/zinc/97/39/66/975973966.db2.gz MUVUSXZCEHPJMN-LBPRGKRZSA-N -1 0 349.456 3.391 20 30 EGEDRM CC(C)c1sc(NC(=O)c2ccc(C#N)cc2F)nc1C(=O)[O-] ZINC001592114428 976907374 /nfs/dbraw/zinc/90/73/74/976907374.db2.gz BENOPHJKNUKMAK-UHFFFAOYSA-N -1 0 333.344 3.228 20 30 EGEDRM C[C@@H](CC#N)Sc1ccccc1NC(=O)NC1CC(CC(=O)[O-])C1 ZINC001592226466 977419206 /nfs/dbraw/zinc/41/92/06/977419206.db2.gz YREZYRIPWJNSCK-HIFPTAJRSA-N -1 0 347.440 3.456 20 30 EGEDRM N#Cc1ccc(N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)cc1Br ZINC000711597833 977553469 /nfs/dbraw/zinc/55/34/69/977553469.db2.gz DXGZXMPFGPSMIA-HIFRSBDPSA-N -1 0 335.201 3.154 20 30 EGEDRM O=C([O-])c1ccc(N=NCc2csc(-c3ccsc3)n2)nc1 ZINC000763377728 978723112 /nfs/dbraw/zinc/72/31/12/978723112.db2.gz WCXQAEGVGHXQMQ-UHFFFAOYSA-N -1 0 330.394 3.411 20 30 EGEDRM CCc1cccc2c1OC/C(=C\c1ccc(OCC(=O)[O-])cc1)C2=O ZINC000794728488 978818217 /nfs/dbraw/zinc/81/82/17/978818217.db2.gz RJIBNDSGNALGBI-XNTDXEJSSA-N -1 0 338.359 3.371 20 30 EGEDRM O=C([O-])c1ccc(N=NCc2ccc3ccc(F)c(F)c3n2)nc1 ZINC000814890072 978896805 /nfs/dbraw/zinc/89/68/05/978896805.db2.gz GYEWOAWIXKKLQF-UHFFFAOYSA-N -1 0 328.278 3.052 20 30 EGEDRM C=CCCC(=O)N1Cc2sc(C(=O)[O-])c(Br)c2C1 ZINC000820450766 978925640 /nfs/dbraw/zinc/92/56/40/978925640.db2.gz RCAYZKXREWHPQQ-UHFFFAOYSA-N -1 0 330.203 3.017 20 30 EGEDRM C=CCc1cc(C(=O)N[C@@H](CC(C)(C)C)C(=O)[O-])cc(OC)c1OC ZINC000846120560 979408017 /nfs/dbraw/zinc/40/80/17/979408017.db2.gz RYMYBWXTMONQKG-AWEZNQCLSA-N -1 0 349.427 3.052 20 30 EGEDRM CC[C@@](C/N=C\c1cccc(OC)c1O)(C(=O)[O-])c1ccccc1 ZINC001595131094 979547693 /nfs/dbraw/zinc/54/76/93/979547693.db2.gz JQBOCHSEJNDEMC-SCWSXOCZSA-N -1 0 327.380 3.252 20 30 EGEDRM CC(C)(C)OC(=O)N1CC2CC1(CN=Nc1ccccc1C(=O)[O-])C2 ZINC000853280644 979604722 /nfs/dbraw/zinc/60/47/22/979604722.db2.gz NBFVOHVIVAZZKJ-UHFFFAOYSA-N -1 0 345.399 3.182 20 30 EGEDRM C=CCCC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000857250674 979625895 /nfs/dbraw/zinc/62/58/95/979625895.db2.gz FGCYREVDJOYEQJ-UHFFFAOYSA-N -1 0 331.821 3.061 20 30 EGEDRM CC[C@](CNC(=O)c1ccc(C)c(C#N)c1)(C(=O)[O-])c1ccccc1 ZINC001595160829 979687574 /nfs/dbraw/zinc/68/75/74/979687574.db2.gz RVNJIAQUJOFRJR-HXUWFJFHSA-N -1 0 336.391 3.029 20 30 EGEDRM C=C(C)C[C@H](NC(=O)c1ccc(SC(F)(F)F)cc1)C(=O)[O-] ZINC000864186990 979832237 /nfs/dbraw/zinc/83/22/37/979832237.db2.gz BJDZEMSQRYLNND-NSHDSACASA-N -1 0 333.331 3.448 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)c1cc(C)n(Cc2ccccc2)c1C)C(=O)[O-] ZINC000864187383 979833713 /nfs/dbraw/zinc/83/37/13/979833713.db2.gz JZNUBSMRHBRKRT-GOSISDBHSA-N -1 0 340.423 3.302 20 30 EGEDRM CC[C@H]([NH2+]Cc1ccc(Cl)c(C(=O)[O-])n1)c1cccc(C#N)c1[O-] ZINC001595300434 980434102 /nfs/dbraw/zinc/43/41/02/980434102.db2.gz QCPKXDKQKXEHCP-AWEZNQCLSA-N -1 0 345.786 3.251 20 30 EGEDRM C=C(C)[C@H](CC(=O)N1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1)OCC ZINC000910096801 981757151 /nfs/dbraw/zinc/75/71/51/981757151.db2.gz BUEYJVZQBAKDCU-ULQDDVLXSA-N -1 0 331.412 3.175 20 30 EGEDRM C=C(C)C[C@H](NC(=O)[C@@H](C)c1ccc(C(=O)C(C)C)cc1)C(=O)[O-] ZINC000910295438 981849312 /nfs/dbraw/zinc/84/93/12/981849312.db2.gz VOLISDBNYAPTRP-BBRMVZONSA-N -1 0 331.412 3.164 20 30 EGEDRM C=CCCC[C@H](C(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F)c1ccccc1 ZINC000910487804 981960277 /nfs/dbraw/zinc/96/02/77/981960277.db2.gz VRUCCXUZRISJJD-KKUMJFAQSA-N -1 0 337.366 3.209 20 30 EGEDRM O=C([O-])[C@@H]1CCN(C(=O)Nc2cccc(C#Cc3cccs3)c2)C1 ZINC001594925743 982504591 /nfs/dbraw/zinc/50/45/91/982504591.db2.gz JAEYZRIVHKJLTP-CQSZACIVSA-N -1 0 340.404 3.086 20 30 EGEDRM Cc1cc(C)c2c(c1)OC/C(=C/c1ccc(OCC(=O)[O-])cc1)C2=O ZINC000920066506 982692185 /nfs/dbraw/zinc/69/21/85/982692185.db2.gz RCVJQTNXNYTEEC-DHDCSXOGSA-N -1 0 338.359 3.426 20 30 EGEDRM CC[C@@](C)(C#N)C(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC000923079934 982710926 /nfs/dbraw/zinc/71/09/26/982710926.db2.gz IJKNKXWKBREETJ-SFHVURJKSA-N -1 0 329.400 3.253 20 30 EGEDRM CC[C@@H](C)N(CC(=O)[O-])C(=O)C1(c2ccc(C#N)cc2)CCCC1 ZINC001594969338 982737466 /nfs/dbraw/zinc/73/74/66/982737466.db2.gz ZHQCUFBMFDECGO-CQSZACIVSA-N -1 0 328.412 3.082 20 30 EGEDRM CCCOc1cccc(/C=C2/CCn3nc(C(=O)[O-])cc3C2=O)c1 ZINC001595967236 983177694 /nfs/dbraw/zinc/17/76/94/983177694.db2.gz GXOSVQUFASJTPH-LCYFTJDESA-N -1 0 326.352 3.040 20 30 EGEDRM CCCc1c(C(=O)N(C)Cc2ccc(C#N)cc2)[nH]c(C)c1C(=O)[O-] ZINC001596028634 983292326 /nfs/dbraw/zinc/29/23/26/983292326.db2.gz AKTBCQBAYUEXDE-UHFFFAOYSA-N -1 0 339.395 3.118 20 30 EGEDRM C#C[C@H](C)Oc1ccc(COC(=O)C23CCC(C(=O)[O-])(CC2)C3)cc1 ZINC001588369227 983312651 /nfs/dbraw/zinc/31/26/51/983312651.db2.gz GIQYOJHXWGEZQJ-JAGHRAMZSA-N -1 0 342.391 3.165 20 30 EGEDRM C#C[C@@H](NC(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1)C(C)C ZINC001588374329 983343260 /nfs/dbraw/zinc/34/32/60/983343260.db2.gz UMALQUBRPOWIQS-MRXNPFEDSA-N -1 0 343.427 3.154 20 30 EGEDRM C#C[C@H](OC(=O)CCSCC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001588375696 983347042 /nfs/dbraw/zinc/34/70/42/983347042.db2.gz GCLIGSNREZVUMM-LBPRGKRZSA-N -1 0 346.326 3.131 20 30 EGEDRM C#CC[C@@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc21)C(=O)[O-] ZINC001588414041 983432805 /nfs/dbraw/zinc/43/28/05/983432805.db2.gz NAZRYFUBWCXRIA-GOSISDBHSA-N -1 0 344.370 3.108 20 30 EGEDRM C#CC[C@@H](NC(=O)c1cccc(F)c1Sc1ccccc1)C(=O)[O-] ZINC001588416491 983436771 /nfs/dbraw/zinc/43/67/71/983436771.db2.gz NMHJZFDXWRYEIC-OAHLLOKOSA-N -1 0 343.379 3.183 20 30 EGEDRM C#CCCOc1ccc(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)cc1 ZINC001588455042 983478247 /nfs/dbraw/zinc/47/82/47/983478247.db2.gz AYVADQUMQAYOIU-UHFFFAOYSA-N -1 0 345.301 3.317 20 30 EGEDRM C#CCN(C(=O)CC(C)(C)CC(=O)[O-])[C@H]1CCCc2ccccc21 ZINC001588460215 983486995 /nfs/dbraw/zinc/48/69/95/983486995.db2.gz VBLIJLMVNIBNRH-KRWDZBQOSA-N -1 0 327.424 3.417 20 30 EGEDRM C#CCOc1ccccc1NC(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC001588504571 983548318 /nfs/dbraw/zinc/54/83/18/983548318.db2.gz DXFLLIBIAWISQO-UHFFFAOYSA-N -1 0 338.363 3.061 20 30 EGEDRM C#Cc1ccc([C@H](OC(=O)C[C@H](C)CC(=O)[O-])C(F)(F)F)cc1 ZINC001588516585 983561577 /nfs/dbraw/zinc/56/15/77/983561577.db2.gz QNYJYGFPUMQDSZ-BMIGLBTASA-N -1 0 328.286 3.315 20 30 EGEDRM C#Cc1ccc(NC(=O)NC[C@](CC)(C(=O)[O-])c2ccccc2)cc1 ZINC001588518132 983568117 /nfs/dbraw/zinc/56/81/17/983568117.db2.gz RPFCLLGUFZBEFA-FQEVSTJZSA-N -1 0 336.391 3.222 20 30 EGEDRM C#Cc1cccc(NC(=O)N[C@@H](C)[C@H](Cc2ccccc2)C(=O)[O-])c1 ZINC001588524656 983575915 /nfs/dbraw/zinc/57/59/15/983575915.db2.gz PJMBXYJVMJTHCV-KSSFIOAISA-N -1 0 336.391 3.121 20 30 EGEDRM C=C(C)[C@H](NC(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C)c1ccc(F)c(F)c1 ZINC001588534485 983585940 /nfs/dbraw/zinc/58/59/40/983585940.db2.gz GZKZDWXSUIEHRX-WBIUFABUSA-N -1 0 338.354 3.087 20 30 EGEDRM C=C(C)[C@@H](CC(=O)OCc1ccc(C(=O)[O-])c(Cl)c1)OCC ZINC001588535623 983589827 /nfs/dbraw/zinc/58/98/27/983589827.db2.gz PGDDWPKXTUDNKS-CQSZACIVSA-N -1 0 326.776 3.453 20 30 EGEDRM C=C(C)[C@H](CC(=O)OCc1ccc(C(=O)[O-])c(Cl)c1)OCC ZINC001588535622 983589860 /nfs/dbraw/zinc/58/98/60/983589860.db2.gz PGDDWPKXTUDNKS-AWEZNQCLSA-N -1 0 326.776 3.453 20 30 EGEDRM C=C(C)[C@@H](CC(=O)O[C@@H](C(=O)[O-])c1ccccc1Cl)OCC ZINC001588535638 983589950 /nfs/dbraw/zinc/58/99/50/983589950.db2.gz PKDKWJYIROTLOZ-UKRRQHHQSA-N -1 0 326.776 3.380 20 30 EGEDRM C=C(C)[C@@H](CC(=O)O[C@H](C(=O)[O-])c1ccccc1Cl)OCC ZINC001588535637 983590003 /nfs/dbraw/zinc/59/00/03/983590003.db2.gz PKDKWJYIROTLOZ-HIFRSBDPSA-N -1 0 326.776 3.380 20 30 EGEDRM C=C(C)C[C@@H](C)C(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC001588537095 983597520 /nfs/dbraw/zinc/59/75/20/983597520.db2.gz YFDCLRVHIZIMMS-LLVKDONJSA-N -1 0 325.792 3.061 20 30 EGEDRM C=C(C)C[C@H](NC(=O)CCCc1ccc2c(c1)CCCC2)C(=O)[O-] ZINC001588541078 983606386 /nfs/dbraw/zinc/60/63/86/983606386.db2.gz RRGNSSAOWWRVQN-SFHVURJKSA-N -1 0 329.440 3.424 20 30 EGEDRM C=C(C)C[C@H](NC(=O)c1cc(Cl)c(Cl)cc1OC)C(=O)[O-] ZINC001588542979 983610342 /nfs/dbraw/zinc/61/03/42/983610342.db2.gz BJDNYEKNCRNNGL-NSHDSACASA-N -1 0 332.183 3.151 20 30 EGEDRM C=C(C)C[C@@H](Nc1cc(C)c(C#N)c2nc3ccccc3n21)C(=O)[O-] ZINC001588555957 983638250 /nfs/dbraw/zinc/63/82/50/983638250.db2.gz YCIJCZTUQSCUQD-OAHLLOKOSA-N -1 0 334.379 3.499 20 30 EGEDRM C=C(C)Cn1c(C(F)F)nnc1N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC001588589450 983667298 /nfs/dbraw/zinc/66/72/98/983667298.db2.gz NRUVWRPHKKAHLD-LLVKDONJSA-N -1 0 342.390 3.119 20 30 EGEDRM C=C(C)Cn1c([C@@H](C)C2CCC2)nnc1N1CC[C@](C)(C(=O)[O-])C1 ZINC001588589994 983668809 /nfs/dbraw/zinc/66/88/09/983668809.db2.gz VSGXXTKSTXDWSF-UGSOOPFHSA-N -1 0 332.448 3.059 20 30 EGEDRM C=C(C)Cn1c(N2CCC[C@H](CCC(=O)[O-])C2)nnc1C(C)(C)F ZINC001588598636 983685031 /nfs/dbraw/zinc/68/50/31/983685031.db2.gz JMGNPXIDLAYLDM-CYBMUJFWSA-N -1 0 338.427 3.140 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC001588614995 983709465 /nfs/dbraw/zinc/70/94/65/983709465.db2.gz GWVWJLNMFMMWTB-ZDUSSCGKSA-N -1 0 344.436 3.423 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccccc1O[C@H](C)C(F)(F)F ZINC001588634637 983753495 /nfs/dbraw/zinc/75/34/95/983753495.db2.gz YOXVOSNKVJHIBY-SNVBAGLBSA-N -1 0 331.290 3.376 20 30 EGEDRM C=C1CCC(CNC(=O)Nc2cc(C(=O)[O-])cc(C(=O)OC)c2)CC1 ZINC001588649948 983771217 /nfs/dbraw/zinc/77/12/17/983771217.db2.gz NECMUJJABKJGEK-UHFFFAOYSA-N -1 0 346.383 3.039 20 30 EGEDRM C=C[C@H](C)OC(=O)c1ccc(-n2nc(C)c(CCC(=O)[O-])c2C)cc1 ZINC001588687850 983873061 /nfs/dbraw/zinc/87/30/61/983873061.db2.gz UASUNOSKIWCGIX-LBPRGKRZSA-N -1 0 342.395 3.238 20 30 EGEDRM C=C[C@H](Sc1nnc2c3ccccc3n(CCC)c2n1)C(=O)[O-] ZINC001588714715 983953025 /nfs/dbraw/zinc/95/30/25/983953025.db2.gz LLDSEKFTYYQHBB-LBPRGKRZSA-N -1 0 328.397 3.121 20 30 EGEDRM C=CC1(CC(=O)N[C@@](C)(CC(=O)[O-])c2cccnc2)CCCCC1 ZINC001588719208 983959033 /nfs/dbraw/zinc/95/90/33/983959033.db2.gz NDRBROSEYWUCNQ-SFHVURJKSA-N -1 0 330.428 3.414 20 30 EGEDRM C=C[C@@H]1CCCCN1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001588719808 983962832 /nfs/dbraw/zinc/96/28/32/983962832.db2.gz XTSKXYLSNJOUNV-GFCCVEGCSA-N -1 0 333.344 3.174 20 30 EGEDRM C=CCC1(C(=O)OCc2c(F)cc(C(=O)[O-])cc2F)CCOCC1 ZINC001588767306 984130128 /nfs/dbraw/zinc/13/01/28/984130128.db2.gz UGYVMKUJFWULGT-UHFFFAOYSA-N -1 0 340.322 3.079 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1ccc(-c2ccc(F)cc2)n1C)C(=O)[O-] ZINC001588792326 984208347 /nfs/dbraw/zinc/20/83/47/984208347.db2.gz DBXXNVUPSKWUIS-OAHLLOKOSA-N -1 0 344.386 3.371 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1cc2ccccc2cc1OC)C(=O)[O-] ZINC001588792719 984212414 /nfs/dbraw/zinc/21/24/14/984212414.db2.gz MMHAJJUMBSGLCP-INIZCTEOSA-N -1 0 327.380 3.388 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1ccccc1NCC(F)(F)F)C(=O)[O-] ZINC001588793627 984220831 /nfs/dbraw/zinc/22/08/31/984220831.db2.gz VCPULSNKTZUCKA-CYBMUJFWSA-N -1 0 344.333 3.200 20 30 EGEDRM C=CCCC[C@@H](NS(=O)(=O)CC(C)(C)C(=O)[O-])c1ccccc1 ZINC001588797515 984229938 /nfs/dbraw/zinc/22/99/38/984229938.db2.gz HKXZRDAESYEMLO-OAHLLOKOSA-N -1 0 339.457 3.114 20 30 EGEDRM C=CCCCCCN(C)S(=O)(=O)CC1(C(=O)[O-])CCCCC1 ZINC001588800058 984244210 /nfs/dbraw/zinc/24/42/10/984244210.db2.gz YHONWNPMBSRHMT-UHFFFAOYSA-N -1 0 331.478 3.030 20 30 EGEDRM C=CCN(C(=O)Nc1sc(C)c(C)c1C(=O)[O-])[C@H](C)COC ZINC001588820537 984284852 /nfs/dbraw/zinc/28/48/52/984284852.db2.gz JKQBLWCYUIJJIB-SECBINFHSA-N -1 0 326.418 3.118 20 30 EGEDRM C=CCN(CCc1ccccc1)CC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001588828593 984307806 /nfs/dbraw/zinc/30/78/06/984307806.db2.gz CBQACXINUDKNNQ-UHFFFAOYSA-N -1 0 338.407 3.054 20 30 EGEDRM C=CCN(Cc1cccc([N+](=O)[O-])c1)[C@@H](C)c1nc(C(=O)[O-])co1 ZINC001588832379 984322048 /nfs/dbraw/zinc/32/20/48/984322048.db2.gz GUVBXRWKJDVAAW-NSHDSACASA-N -1 0 331.328 3.030 20 30 EGEDRM C=CCNc1nnc(S[C@@H](C(=O)[O-])c2cccc(OC)c2)s1 ZINC001588849562 984372703 /nfs/dbraw/zinc/37/27/03/984372703.db2.gz ZKGDAYHNBGBHIN-LLVKDONJSA-N -1 0 337.426 3.063 20 30 EGEDRM C=CCOC[C@@H](NC(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2)C(=O)[O-] ZINC001588856275 984398519 /nfs/dbraw/zinc/39/85/19/984398519.db2.gz XKCCQXGERJADJL-RANJNGMFSA-N -1 0 349.471 3.145 20 30 EGEDRM C=CCOc1cc(OC)ccc1-c1nc(-c2cc(C(=O)[O-])co2)no1 ZINC001588869708 984440829 /nfs/dbraw/zinc/44/08/29/984440829.db2.gz WHGASGNPIRRIAT-UHFFFAOYSA-N -1 0 342.307 3.268 20 30 EGEDRM C=CCOc1ccc(C(=O)Nc2sccc2C(=O)[O-])cc1OC ZINC001588874819 984449120 /nfs/dbraw/zinc/44/91/20/984449120.db2.gz HTKSHXFRCHVRTK-UHFFFAOYSA-N -1 0 333.365 3.272 20 30 EGEDRM C=CCOc1ccc(C(=O)Nc2ccc(C(=O)[O-])s2)cc1OC ZINC001588874930 984449445 /nfs/dbraw/zinc/44/94/45/984449445.db2.gz KZQZVEYHRIJIMI-UHFFFAOYSA-N -1 0 333.365 3.272 20 30 EGEDRM C=CC[S@@](=O)(=NC(=O)c1cccc(CC(=O)[O-])c1)c1ccccc1 ZINC001588878914 984456174 /nfs/dbraw/zinc/45/61/74/984456174.db2.gz NXGNYCYREFUNPV-DEOSSOPVSA-N -1 0 343.404 3.167 20 30 EGEDRM C=CCSc1ccccc1C(=O)Nc1nc2n(c1C(=O)[O-])CCC2 ZINC001588879700 984458324 /nfs/dbraw/zinc/45/83/24/984458324.db2.gz JKWRBGFOCBHCOQ-UHFFFAOYSA-N -1 0 343.408 3.058 20 30 EGEDRM C=CCSCCNC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC001588879750 984459038 /nfs/dbraw/zinc/45/90/38/984459038.db2.gz MHGLCMXBJKTXGT-UHFFFAOYSA-N -1 0 349.456 3.026 20 30 EGEDRM C=CCc1cccc(C(C)C)c1NC(=O)Cn1cc(C(=O)[O-])cn1 ZINC001588886564 984472862 /nfs/dbraw/zinc/47/28/62/984472862.db2.gz MFHZJCKYZLNQPB-UHFFFAOYSA-N -1 0 327.384 3.072 20 30 EGEDRM C=CCn1c(SCC2(C(=O)[O-])CC2)nnc1-c1ccccc1C ZINC001588907198 984538791 /nfs/dbraw/zinc/53/87/91/984538791.db2.gz HJLBOEIDDXMHHM-UHFFFAOYSA-N -1 0 329.425 3.396 20 30 EGEDRM C=CCn1cnnc1S[C@@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC001588909167 984542875 /nfs/dbraw/zinc/54/28/75/984542875.db2.gz MSXXQZLBTYJMIX-LLVKDONJSA-N -1 0 343.330 3.401 20 30 EGEDRM C=C[C@@H]1OCC[C@H]1NC(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC001588919469 984572134 /nfs/dbraw/zinc/57/21/34/984572134.db2.gz AMILAFVXYOSKPV-CVEARBPZSA-N -1 0 326.352 3.003 20 30 EGEDRM CC(=NNC(=S)Nc1cc(C)ccc1F)c1cc(C(=O)[O-])co1 ZINC001589016593 984996730 /nfs/dbraw/zinc/99/67/30/984996730.db2.gz BZKWTNCYVZJQBO-UHFFFAOYSA-N -1 0 335.360 3.136 20 30 EGEDRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)OCc1ccc(C#N)cc1Cl ZINC001599956964 985705606 /nfs/dbraw/zinc/70/56/06/985705606.db2.gz DVSDKNZBEFILLH-UHFFFAOYSA-N -1 0 332.743 3.212 20 30 EGEDRM C[C@@H](C#N)CN(Cc1cc(Br)ccc1C(=O)[O-])C1CC1 ZINC001589330413 986172525 /nfs/dbraw/zinc/17/25/25/986172525.db2.gz DKYMUKMGUXBOAH-JTQLQIEISA-N -1 0 337.217 3.271 20 30 EGEDRM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1Cc1cc(C#N)cs1 ZINC001594570253 986388203 /nfs/dbraw/zinc/38/82/03/986388203.db2.gz QMNRFFLFTYCBOK-CYBMUJFWSA-N -1 0 341.436 3.029 20 30 EGEDRM CCOc1ccc(NC(=O)c2ccc(C#N)cc2)c(C(=O)[O-])c1F ZINC001597123096 986822236 /nfs/dbraw/zinc/82/22/36/986822236.db2.gz QCCLSXSPXMCTLK-UHFFFAOYSA-N -1 0 328.299 3.047 20 30 EGEDRM CC[C@@H](C#N)[C@H](OC(=O)c1ccc(C(=O)[O-])n1C)c1cccs1 ZINC001594722742 987215870 /nfs/dbraw/zinc/21/58/70/987215870.db2.gz TYOYEGMTCPZBLW-HZMBPMFUSA-N -1 0 332.381 3.233 20 30 EGEDRM CC(C)(C#N)CC(=O)Nc1ncc(Cc2cccc(C(=O)[O-])c2)s1 ZINC001589554072 987297697 /nfs/dbraw/zinc/29/76/97/987297697.db2.gz UIHGUJSXMBUIKR-UHFFFAOYSA-N -1 0 343.408 3.310 20 30 EGEDRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)Nc2cc(C#N)ccc2F)C1 ZINC001589611208 987461183 /nfs/dbraw/zinc/46/11/83/987461183.db2.gz AOQPPRAJZOSZPM-GFCCVEGCSA-N -1 0 333.363 3.052 20 30 EGEDRM CCc1ccc(C#CC(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1 ZINC001597495009 988040378 /nfs/dbraw/zinc/04/03/78/988040378.db2.gz NYXXZKAIVHVHEE-QRWLVFNGSA-N -1 0 335.403 3.179 20 30 EGEDRM CCn1c(SCc2cccc(C(=O)[O-])c2C#N)nnc1C1CC1 ZINC001597864212 989645734 /nfs/dbraw/zinc/64/57/34/989645734.db2.gz BYWSEYWVXUGQQW-UHFFFAOYSA-N -1 0 328.397 3.038 20 30 EGEDRM CC(C)(C)Oc1cccc(CNc2ccc(C(=O)[O-])nc2C#N)c1 ZINC001590419572 989960019 /nfs/dbraw/zinc/96/00/19/989960019.db2.gz CXKYIKWTEWVMEI-UHFFFAOYSA-N -1 0 325.368 3.441 20 30 EGEDRM CN(C(=O)Nc1cc(C(=O)[O-])cc2cccnc21)[C@H]1CCC[C@H]1C#N ZINC001598056047 990313199 /nfs/dbraw/zinc/31/31/99/990313199.db2.gz AXBFYRUNURMLKK-WFASDCNBSA-N -1 0 338.367 3.089 20 30 EGEDRM CN(Cc1cc(-c2ccccc2)n[nH]1)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001598504681 992485723 /nfs/dbraw/zinc/48/57/23/992485723.db2.gz BPBFCNNYMWIOTB-LJQANCHMSA-N -1 0 346.390 3.206 20 30 EGEDRM CN(Cc1ccc(OCC(=O)[O-])cc1)Cc1ccc(C#N)cc1Cl ZINC001598523737 992692517 /nfs/dbraw/zinc/69/25/17/992692517.db2.gz LVNADYPJNGAFLH-UHFFFAOYSA-N -1 0 344.798 3.307 20 30 EGEDRM CN(Cc1cccc(C(=O)[O-])c1C#N)C[C@H]1OCCc2ccccc21 ZINC001598527301 992735598 /nfs/dbraw/zinc/73/55/98/992735598.db2.gz MXJZCMXBPMMXRR-LJQANCHMSA-N -1 0 336.391 3.002 20 30 EGEDRM C[C@@H](NC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1)c1ccc(C#N)cc1 ZINC001593112202 993787209 /nfs/dbraw/zinc/78/72/09/993787209.db2.gz KYMQOWDCVLSOFC-SECBINFHSA-N -1 0 345.305 3.417 20 30 EGEDRM C[C@H](NC(=O)Nc1ccc(F)c(C(=O)[O-])c1F)c1cccc(C#N)c1 ZINC001593114931 993796292 /nfs/dbraw/zinc/79/62/92/993796292.db2.gz GDWQTZFZUWHHRY-VIFPVBQESA-N -1 0 345.305 3.417 20 30 EGEDRM COc1cccc(Cl)c1CN[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001599675831 994896378 /nfs/dbraw/zinc/89/63/78/994896378.db2.gz AFNZJMBZFFGSCW-INIZCTEOSA-N -1 0 330.771 3.136 20 30 EGEDRM COC(=O)[C@@H](Nc1ccc(CCC#N)cc1)c1cccc(C(=O)[O-])c1 ZINC001598713872 995380635 /nfs/dbraw/zinc/38/06/35/995380635.db2.gz PDBIWIYRAZRAKU-KRWDZBQOSA-N -1 0 338.363 3.167 20 30 EGEDRM C[C@@H](Sc1ccc(C(=O)[O-])cc1)C(=O)NC1(C#N)CCCCC1 ZINC001593664509 996052412 /nfs/dbraw/zinc/05/24/12/996052412.db2.gz WQMVXSKGNGWMTE-GFCCVEGCSA-N -1 0 332.425 3.208 20 30 EGEDRM C[C@@H](c1cccc(C#N)c1)N(C)C(=O)c1ccc(C(=O)[O-])cc1F ZINC001593699751 996171920 /nfs/dbraw/zinc/17/19/20/996171920.db2.gz XKCCRDPFLDRKGF-NSHDSACASA-N -1 0 326.327 3.229 20 30 EGEDRM COc1ccc(C(=O)[O-])c(NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)c1 ZINC001599489428 996911681 /nfs/dbraw/zinc/91/16/81/996911681.db2.gz JUKCELZEPMHSHO-JKSUJKDBSA-N -1 0 336.347 3.007 20 30 EGEDRM COc1cc(C=NOCc2occc2C(=O)[O-])ccc1OC(F)F ZINC001599399367 997186304 /nfs/dbraw/zinc/18/63/04/997186304.db2.gz GQLZYPULBZRHOY-UHFFFAOYSA-N -1 0 341.266 3.139 20 30 EGEDRM COc1cc(CSCCC#N)c(Br)cc1C(=O)[O-] ZINC001599418914 997559857 /nfs/dbraw/zinc/55/98/57/997559857.db2.gz WWYZWEALYHGBSI-UHFFFAOYSA-N -1 0 330.203 3.303 20 30 EGEDRM COc1cc(C#N)ccc1C(=O)Nc1nc(C(C)C)c(C(=O)[O-])s1 ZINC001599349333 998065697 /nfs/dbraw/zinc/06/56/97/998065697.db2.gz OWQRNKJKLQKUGD-UHFFFAOYSA-N -1 0 345.380 3.097 20 30 EGEDRM COc1cc(C(=O)[O-])cc(NCc2ccc(C#N)c(C)c2)c1OC ZINC001599362532 998283308 /nfs/dbraw/zinc/28/33/08/998283308.db2.gz ONMINKQYENLJEC-UHFFFAOYSA-N -1 0 326.352 3.194 20 30 EGEDRM COC(=O)c1ccc(NN=Cc2cccn2[C@@H](C)C(=O)[O-])cc1Cl ZINC001598983936 998683792 /nfs/dbraw/zinc/68/37/92/998683792.db2.gz AMJHWQMNFSHNMV-JTQLQIEISA-N -1 0 349.774 3.020 20 30 EGEDRM CO[C@@H](C(=O)[O-])c1ccccc1OCCCOc1cccc(C#N)c1 ZINC001599026762 999021914 /nfs/dbraw/zinc/02/19/14/999021914.db2.gz NMYJOHJOLZKFIF-GOSISDBHSA-N -1 0 341.363 3.178 20 30 EGEDRM C[C@@H]1CC[C@@](NC(=O)Cc2cccc(C#N)c2)(C(=O)[O-])c2ccccc21 ZINC001594312697 999200722 /nfs/dbraw/zinc/20/07/22/999200722.db2.gz CRRNTKHUJONNQJ-SZNDQCEHSA-N -1 0 348.402 3.094 20 30 EGEDRM C[C@@H]1CC[C@@](NC(=O)CC#Cc2ccccc2)(C(=O)[O-])c2ccccc21 ZINC001594313856 999209161 /nfs/dbraw/zinc/20/91/61/999209161.db2.gz NEGDBWDWBIWZIF-ZHRRBRCNSA-N -1 0 347.414 3.422 20 30 EGEDRM CCCCOc1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc1 ZINC000003581937 210058970 /nfs/dbraw/zinc/05/89/70/210058970.db2.gz WQEGPJQOWCVLJN-RUJXFNLJSA-N -1 0 328.364 3.094 20 30 EGEDRM N#Cc1nc(NC(=O)CCc2cccc(OC3CCCC3)c2)[n-]c1C#N ZINC000069376573 215393601 /nfs/dbraw/zinc/39/36/01/215393601.db2.gz FLKMJOHYHZFODK-UHFFFAOYSA-N -1 0 349.394 3.046 20 30 EGEDRM CCCOc1ccc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)cc1OC ZINC000193613979 240232485 /nfs/dbraw/zinc/23/24/85/240232485.db2.gz VHOSEEZQDYWKNI-FMIVXFBMSA-N -1 0 339.395 3.308 20 30 EGEDRM Cc1cccc(S(=O)(=O)[N-]c2cc(C)c(N(C)C)cc2C#N)c1F ZINC000357460697 241860772 /nfs/dbraw/zinc/86/07/72/241860772.db2.gz AYVZQLBLOXGHMM-UHFFFAOYSA-N -1 0 347.415 3.181 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2OC(F)(F)F)cc1 ZINC000016730580 211932157 /nfs/dbraw/zinc/93/21/57/211932157.db2.gz KQJHSINMSFKARR-UHFFFAOYSA-N -1 0 342.298 3.258 20 30 EGEDRM N#CC1(NC(=O)c2cc(Cl)c3ccccc3c2[O-])CCOCC1 ZINC000094151340 218267054 /nfs/dbraw/zinc/26/70/54/218267054.db2.gz BFQBEQFFRJOGOQ-UHFFFAOYSA-N -1 0 330.771 3.001 20 30 EGEDRM N#Cc1ccc(C2=CCN(C(=O)c3ccc([N+](=O)[O-])cc3[O-])CC2)cc1 ZINC000328587961 258045868 /nfs/dbraw/zinc/04/58/68/258045868.db2.gz KOOUTVZBODIXOX-UHFFFAOYSA-N -1 0 349.346 3.102 20 30 EGEDRM CCNc1ccc(C#N)cc1NC(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000354107690 285622774 /nfs/dbraw/zinc/62/27/74/285622774.db2.gz RKNHOGOVNYXJSB-UHFFFAOYSA-N -1 0 347.378 3.134 20 30 EGEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1ccc(OCC2CC2)cc1 ZINC000171955868 144013431 /nfs/dbraw/zinc/01/34/31/144013431.db2.gz WVQSHKFDZLLWLR-UHFFFAOYSA-N -1 0 328.393 3.148 20 30 EGEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(Cl)cc1C ZINC000184766157 144099050 /nfs/dbraw/zinc/09/90/50/144099050.db2.gz FHBMWULSFBLLOW-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(F)cc(Cl)c1 ZINC000184868478 144100491 /nfs/dbraw/zinc/10/04/91/144100491.db2.gz YAJOESZTWVXJHU-UHFFFAOYSA-N -1 0 340.763 3.160 20 30 EGEDRM CC(C)C[C@@H](C)n1nccc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000340040271 155079070 /nfs/dbraw/zinc/07/90/70/155079070.db2.gz ALHOPTQZVIJXBB-CYBMUJFWSA-N -1 0 332.429 3.163 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)NCCCC2CCCCC2)cc1C#N ZINC000121823456 162246931 /nfs/dbraw/zinc/24/69/31/162246931.db2.gz QBLAIGNARUOPFL-UHFFFAOYSA-N -1 0 333.457 3.059 20 30 EGEDRM Cc1ccc(-c2ccnn2C)cc1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000337150758 163145505 /nfs/dbraw/zinc/14/55/05/163145505.db2.gz RMAJUOUUWZLJTA-UHFFFAOYSA-N -1 0 332.363 3.225 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cnccc2-c2ccccc2)o1 ZINC000342581706 163915267 /nfs/dbraw/zinc/91/52/67/163915267.db2.gz JRURDLRSPYUINJ-UHFFFAOYSA-N -1 0 325.349 3.014 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)c2ccccc2)o1 ZINC000344302971 164150748 /nfs/dbraw/zinc/15/07/48/164150748.db2.gz BRLUVYJXFJVBAM-LBPRGKRZSA-N -1 0 344.314 3.123 20 30 EGEDRM CC(C)(C)OCc1ccccc1C(=O)N=c1[nH][n-]c(C2CC2)c1C#N ZINC000359720112 167213648 /nfs/dbraw/zinc/21/36/48/167213648.db2.gz AAVPUUDPIKZLEG-UHFFFAOYSA-N -1 0 338.411 3.148 20 30 EGEDRM Cc1nc(C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)c(-c2ccccc2)s1 ZINC000359720136 167214226 /nfs/dbraw/zinc/21/42/26/167214226.db2.gz AHMULYOMTRNJFH-UHFFFAOYSA-N -1 0 349.419 3.265 20 30 EGEDRM N#Cc1cccc(CN=c2nc(Cc3ccc(F)cc3F)[n-]s2)c1 ZINC000461185154 270054767 /nfs/dbraw/zinc/05/47/67/270054767.db2.gz FHQJRMVMKYOQIR-UHFFFAOYSA-N -1 0 342.374 3.313 20 30 EGEDRM CC(C)N(C)c1ccccc1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000533552361 270060988 /nfs/dbraw/zinc/06/09/88/270060988.db2.gz PEKRKTAVMFGPIC-UHFFFAOYSA-N -1 0 347.415 3.343 20 30 EGEDRM CCc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2OC)ccc1F ZINC000507547341 267245848 /nfs/dbraw/zinc/24/58/48/267245848.db2.gz HDDZVIXIGYHYLB-UHFFFAOYSA-N -1 0 334.372 3.069 20 30 EGEDRM Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000188457256 267320193 /nfs/dbraw/zinc/32/01/93/267320193.db2.gz GMYSDLUNMZGVMN-UHFFFAOYSA-N -1 0 349.390 3.061 20 30 EGEDRM Cc1n[nH]cc1C([O-])=C(C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000347727495 267561370 /nfs/dbraw/zinc/56/13/70/267561370.db2.gz HCHXYXFKUXJDHP-CYBMUJFWSA-N -1 0 333.376 3.203 20 30 EGEDRM N#Cc1ccc(CN=c2nc(Cc3ccc(F)cc3F)[n-]s2)cc1 ZINC000461216652 268225385 /nfs/dbraw/zinc/22/53/85/268225385.db2.gz FRXPPYSYBKWBMS-UHFFFAOYSA-N -1 0 342.374 3.313 20 30 EGEDRM N#Cc1cccc(NC(=O)c2cc(F)cc(Br)c2[O-])c1 ZINC000436995677 268280939 /nfs/dbraw/zinc/28/09/39/268280939.db2.gz BPLAGUIOJNQYRM-UHFFFAOYSA-N -1 0 335.132 3.418 20 30 EGEDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc(F)cc2C#N)c1C ZINC000180736761 301861470 /nfs/dbraw/zinc/86/14/70/301861470.db2.gz NYTDMPRDSQEXMX-UHFFFAOYSA-N -1 0 349.343 3.023 20 30 EGEDRM CC(=O)N(c1ccc(NC(=O)c2ccc(C#N)c([O-])c2)cc1)[C@H]1C[C@@H]1C ZINC000561648838 315774583 /nfs/dbraw/zinc/77/45/83/315774583.db2.gz LSFAKLHZSCOQQR-SGTLLEGYSA-N -1 0 349.390 3.277 20 30 EGEDRM Cc1cc(F)cc2c1ncc(C#N)c2N1CCC[C@@H](CC(=O)[O-])C1 ZINC000563517214 316032015 /nfs/dbraw/zinc/03/20/15/316032015.db2.gz JHKFBHBCJLKLOM-LBPRGKRZSA-N -1 0 327.359 3.245 20 30 EGEDRM CC(C)Oc1ccc(NC(=O)N2CCC[C@H](CC(=O)[O-])C2)cc1C#N ZINC000564309299 316134193 /nfs/dbraw/zinc/13/41/93/316134193.db2.gz ATEKLENVNBUMOU-CYBMUJFWSA-N -1 0 345.399 3.064 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)s1 ZINC000230333430 456138157 /nfs/dbraw/zinc/13/81/57/456138157.db2.gz BYDJHSSCVONINQ-UHFFFAOYSA-N -1 0 343.227 3.183 20 30 EGEDRM Cc1ccc(-c2nsc(NC(=O)c3ccc(C#N)c([O-])c3)n2)s1 ZINC000188260125 323762014 /nfs/dbraw/zinc/76/20/14/323762014.db2.gz STFXUHBGUOJDME-UHFFFAOYSA-N -1 0 342.405 3.405 20 30 EGEDRM COc1c(C)cc(S(=O)(=O)[N-]c2ccc(F)cc2C#N)cc1C ZINC000180735855 455235881 /nfs/dbraw/zinc/23/58/81/455235881.db2.gz FPQKJORMPWBIMC-UHFFFAOYSA-N -1 0 334.372 3.124 20 30 EGEDRM C[C@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)C1CCCCC1 ZINC000467138273 458953862 /nfs/dbraw/zinc/95/38/62/458953862.db2.gz JPTLFBOHRLRHRI-JTQLQIEISA-N -1 0 328.384 3.084 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)c(F)c1 ZINC000157994740 455257474 /nfs/dbraw/zinc/25/74/74/455257474.db2.gz TZPPIXXGJUCHFI-UHFFFAOYSA-N -1 0 328.727 3.291 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2ccc(OCC(F)(F)F)cc2)cc1[O-] ZINC000189980972 455265344 /nfs/dbraw/zinc/26/53/44/455265344.db2.gz DWBIWBBVCAVCPD-UHFFFAOYSA-N -1 0 336.269 3.457 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(C(F)F)c2)c(F)c1 ZINC000158116381 455271066 /nfs/dbraw/zinc/27/10/66/455271066.db2.gz UNSYTIGAKVMXEM-UHFFFAOYSA-N -1 0 326.299 3.436 20 30 EGEDRM COCCOc1ccccc1C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000066516495 453849372 /nfs/dbraw/zinc/84/93/72/453849372.db2.gz XJNDACBKEJXIEJ-AWEZNQCLSA-N -1 0 336.347 3.343 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cccc(OCC)c2)n1 ZINC000067897300 453978998 /nfs/dbraw/zinc/97/89/98/453978998.db2.gz QUNLYPIPRKCASZ-ZDUSSCGKSA-N -1 0 344.392 3.209 20 30 EGEDRM N#CC(=C([O-])c1cccc(N2CCOC2=O)c1)c1nc2ccccc2o1 ZINC000077490972 454112804 /nfs/dbraw/zinc/11/28/04/454112804.db2.gz QQXLHWXUDWYUMY-AWEZNQCLSA-N -1 0 347.330 3.274 20 30 EGEDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)C=Cc1ccc(Cl)nc1 ZINC000089492463 454156478 /nfs/dbraw/zinc/15/64/78/454156478.db2.gz RQFMQHIWIQIOQJ-VQHVLOKHSA-N -1 0 336.800 3.402 20 30 EGEDRM C[C@@H]1CN(c2ccc(/N=C/c3cc([N+](=O)[O-])ccc3[O-])cc2)CCO1 ZINC000078007404 454176611 /nfs/dbraw/zinc/17/66/11/454176611.db2.gz OLACAMVYLJFPIF-OTGIAGGSSA-N -1 0 341.367 3.276 20 30 EGEDRM CC(C)CCO[C@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC000058282046 454178173 /nfs/dbraw/zinc/17/81/73/454178173.db2.gz ICUHSIRSBKMELR-GFCCVEGCSA-N -1 0 331.409 3.063 20 30 EGEDRM Cn1cc(/C=C/C(=O)c2ccc([O-])c([N+](=O)[O-])c2)c(C(C)(C)C)n1 ZINC000093902410 454178867 /nfs/dbraw/zinc/17/88/67/454178867.db2.gz GYRGPDXICBWPOS-VOTSOKGWSA-N -1 0 329.356 3.228 20 30 EGEDRM C=C[C@H](CC(=O)[N-]S(=O)(=O)c1c(C)noc1C)c1ccccc1 ZINC000095443013 454213650 /nfs/dbraw/zinc/21/36/50/454213650.db2.gz ZADSMTNUQINCQT-CYBMUJFWSA-N -1 0 334.397 3.297 20 30 EGEDRM C=CCCS(=O)(=O)[N-]c1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000120112504 454258939 /nfs/dbraw/zinc/25/89/39/454258939.db2.gz WQJDMQSAFPRNGQ-CYBMUJFWSA-N -1 0 345.848 3.216 20 30 EGEDRM N#CC(=C([O-])c1ccc2nncn2c1)c1nc(-c2ccccc2)cs1 ZINC000073089003 454392900 /nfs/dbraw/zinc/39/29/00/454392900.db2.gz PJKQONXJDCXVSY-CQSZACIVSA-N -1 0 345.387 3.343 20 30 EGEDRM CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)C=Cc1ccc(Cl)nc1 ZINC000091443575 454436247 /nfs/dbraw/zinc/43/62/47/454436247.db2.gz XLIWYPSQAFXTAP-LXSSAFMLSA-N -1 0 330.837 3.471 20 30 EGEDRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000048490087 454493120 /nfs/dbraw/zinc/49/31/20/454493120.db2.gz VYLYBMNAPXPIGU-UHFFFAOYSA-N -1 0 338.429 3.153 20 30 EGEDRM CCCCS(=O)(=O)[N-]C(=O)C=Cc1ccc(OC(F)F)cc1 ZINC000048552181 454497571 /nfs/dbraw/zinc/49/75/71/454497571.db2.gz HXIOEEWRNHCKKM-RMKNXTFCSA-N -1 0 333.356 3.388 20 30 EGEDRM COc1ccc(S(=O)(=O)[N-]C(=O)C2C3CC4CC(C3)CC2C4)cc1 ZINC000048583986 454500863 /nfs/dbraw/zinc/50/08/63/454500863.db2.gz PQWDSJDGONNYFT-UHFFFAOYSA-N -1 0 349.452 3.413 20 30 EGEDRM CC(C)c1csc(C(C#N)=C([O-])c2cccc3c2OCC(=O)N3)n1 ZINC000080451937 454583415 /nfs/dbraw/zinc/58/34/15/454583415.db2.gz GPTZOQYXMZJJTO-NSHDSACASA-N -1 0 341.392 3.087 20 30 EGEDRM CC(C)c1csc(C(C#N)=C([O-])c2cnn(C)c2-n2cccc2)n1 ZINC000080458101 454583752 /nfs/dbraw/zinc/58/37/52/454583752.db2.gz MJZKXOXVWMALPO-LBPRGKRZSA-N -1 0 339.424 3.281 20 30 EGEDRM C=CCN=c1[n-]nc(SC[C@@H](OC)c2ccc(F)cc2)s1 ZINC000629087506 460644587 /nfs/dbraw/zinc/64/45/87/460644587.db2.gz ZLFMWFHKKFGMSQ-GFCCVEGCSA-N -1 0 325.434 3.177 20 30 EGEDRM Cc1cccc(S(=O)(=O)[N-]c2ccc(-c3cnco3)cc2)c1C#N ZINC000137281807 454775088 /nfs/dbraw/zinc/77/50/88/454775088.db2.gz SCDQMRPSSSLVKP-UHFFFAOYSA-N -1 0 339.376 3.323 20 30 EGEDRM C[C@@H](NCc1cccc(OCCCC#N)c1)c1nc(C(=O)[O-])cs1 ZINC000600942983 460655444 /nfs/dbraw/zinc/65/54/44/460655444.db2.gz NKIODXAANNTBKX-GFCCVEGCSA-N -1 0 345.424 3.375 20 30 EGEDRM Cc1cccc(S(=O)(=O)[N-]c2cccc(OCCF)c2)c1C#N ZINC000137659092 454784048 /nfs/dbraw/zinc/78/40/48/454784048.db2.gz SNLRUXUZKNDJQC-UHFFFAOYSA-N -1 0 334.372 3.016 20 30 EGEDRM Cc1nn(C)cc1C([O-])=C(C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000113656418 454933310 /nfs/dbraw/zinc/93/33/10/454933310.db2.gz DEFCLXDGMRNRQL-AWEZNQCLSA-N -1 0 347.403 3.214 20 30 EGEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1nc(C(C)(C)C)cs1 ZINC000114061515 454944760 /nfs/dbraw/zinc/94/47/60/454944760.db2.gz ORSAQFYPZLSHJY-UHFFFAOYSA-N -1 0 335.454 3.422 20 30 EGEDRM C=CCOc1cccc(/C=C/c2ncc([N+](=O)[O-])cc2C(=O)[O-])c1 ZINC000170967414 455007377 /nfs/dbraw/zinc/00/73/77/455007377.db2.gz RRFXCOUYAJYOQT-VOTSOKGWSA-N -1 0 326.308 3.423 20 30 EGEDRM Cc1cccc(S(=O)(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)c1C#N ZINC000156325829 455104732 /nfs/dbraw/zinc/10/47/32/455104732.db2.gz HOQMFRGVVTXLBT-NWDGAFQWSA-N -1 0 346.374 3.266 20 30 EGEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(C(=O)[O-])s1 ZINC000237270667 455166759 /nfs/dbraw/zinc/16/67/59/455166759.db2.gz SSFZRGDIWVXWFJ-UHFFFAOYSA-N -1 0 331.393 3.283 20 30 EGEDRM CCCn1ccc2ccc([N-]S(=O)(=O)c3ccc(C#N)nc3)cc21 ZINC000172896017 455204917 /nfs/dbraw/zinc/20/49/17/455204917.db2.gz IFDMCRWUTQIVQA-UHFFFAOYSA-N -1 0 340.408 3.119 20 30 EGEDRM CCN(CC#N)Cc1cc(Br)cc(Br)c1[O-] ZINC000271706661 455728888 /nfs/dbraw/zinc/72/88/88/455728888.db2.gz FUQCWXYQKHRAAK-UHFFFAOYSA-N -1 0 348.038 3.263 20 30 EGEDRM COc1cc([N-]S(=O)(=O)c2cccc(C)c2C#N)ccc1Cl ZINC000193487760 455760960 /nfs/dbraw/zinc/76/09/60/455760960.db2.gz OJCDPQAFQWYUAN-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM COc1cccc(C)c1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000194216003 455816551 /nfs/dbraw/zinc/81/65/51/455816551.db2.gz MOFNRSGLRIMPIV-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM N#Cc1cc(F)ccc1[N-]S(=O)(=O)Cc1ccc(F)c(Cl)c1 ZINC000194672648 455871773 /nfs/dbraw/zinc/87/17/73/455871773.db2.gz PVVHHVIDLKZKSY-UHFFFAOYSA-N -1 0 342.754 3.432 20 30 EGEDRM N#CC(=C([O-])c1ccc(N2CCCC2)nc1)c1nc2ccccc2o1 ZINC000187239013 455885792 /nfs/dbraw/zinc/88/57/92/455885792.db2.gz LLSRJXGXWOPEFB-CQSZACIVSA-N -1 0 332.363 3.313 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)cc1[O-] ZINC000188264861 456031766 /nfs/dbraw/zinc/03/17/66/456031766.db2.gz XNHMMYAGPPFUEP-KRWDZBQOSA-N -1 0 338.363 3.074 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2cccc(NC(=O)c3ccoc3)c2)cc1[O-] ZINC000188403182 456055868 /nfs/dbraw/zinc/05/58/68/456055868.db2.gz XNQJBEJCYLGILU-UHFFFAOYSA-N -1 0 347.330 3.361 20 30 EGEDRM C=CCC[C@@H](NC(=O)c1ccc(OC2CCCC2)c(OC)c1)C(=O)[O-] ZINC000262934310 456069764 /nfs/dbraw/zinc/06/97/64/456069764.db2.gz PGJHHFMCRQVRIZ-OAHLLOKOSA-N -1 0 347.411 3.166 20 30 EGEDRM C=CCC[C@H](NC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1Cl)C(=O)[O-] ZINC000262957072 456071924 /nfs/dbraw/zinc/07/19/24/456071924.db2.gz RGQRUVGFVQWKPK-CWSCBRNRSA-N -1 0 325.767 3.118 20 30 EGEDRM C=CCC[C@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)C(=O)[O-] ZINC000263005307 456077088 /nfs/dbraw/zinc/07/70/88/456077088.db2.gz WSMXXEWOSZXUQY-ZDUSSCGKSA-N -1 0 325.792 3.033 20 30 EGEDRM C=CCC[C@H](NC(=O)[C@H](C)Oc1ccccc1C(F)(F)F)C(=O)[O-] ZINC000263033607 456081502 /nfs/dbraw/zinc/08/15/02/456081502.db2.gz ZCGBREGKVGHSPJ-JQWIXIFHSA-N -1 0 345.317 3.008 20 30 EGEDRM CCc1nnc(-c2ccc(NC(=O)c3ccc(C#N)c([O-])c3)cc2)o1 ZINC000188587260 456090328 /nfs/dbraw/zinc/09/03/28/456090328.db2.gz UJKBAVHJQXHNHQ-UHFFFAOYSA-N -1 0 334.335 3.129 20 30 EGEDRM N#Cc1ccc(C(=O)N2CCN(CC3CC3)c3ccccc32)cc1[O-] ZINC000188603827 456095190 /nfs/dbraw/zinc/09/51/90/456095190.db2.gz NMEWKPUWEYXHNZ-UHFFFAOYSA-N -1 0 333.391 3.141 20 30 EGEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000263487852 456156167 /nfs/dbraw/zinc/15/61/67/456156167.db2.gz NKMGIUIPILBQPB-VXGBXAGGSA-N -1 0 333.413 3.019 20 30 EGEDRM Cc1nc2c(cccc2C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)o1 ZINC000347716256 456323803 /nfs/dbraw/zinc/32/38/03/456323803.db2.gz HOTRMMNHTLHVSO-GFCCVEGCSA-N -1 0 331.335 3.206 20 30 EGEDRM C=CC[C@H](C)NC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000340441700 456464598 /nfs/dbraw/zinc/46/45/98/456464598.db2.gz QPEXXTDWEUHJGH-JTQLQIEISA-N -1 0 339.317 3.291 20 30 EGEDRM Cc1ncc(CO)c(/C=N/[C@H](C)c2cccc(OC(F)F)c2)c1O ZINC000298689043 456516966 /nfs/dbraw/zinc/51/69/66/456516966.db2.gz YGWYDLKNFHJPDV-DNQBHLINSA-N -1 0 336.338 3.369 20 30 EGEDRM CC(C)(C)n1cc(C#N)c(=NC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)[n-]1 ZINC000348467157 456700969 /nfs/dbraw/zinc/70/09/69/456700969.db2.gz UVKCKPFGGVUSIP-KGLIPLIRSA-N -1 0 342.830 3.327 20 30 EGEDRM C[C@H](C(=O)Nc1cccc([C@@]2(C)NC(=O)NC2=O)c1)C1CCOCC1 ZINC000328770542 456757474 /nfs/dbraw/zinc/75/74/74/456757474.db2.gz JAUUJNJQXSLVOQ-BBATYDOGSA-N -1 0 345.399 3.437 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2cnc(C(F)(F)F)c(C#N)c2)n1 ZINC000344634674 456843361 /nfs/dbraw/zinc/84/33/61/456843361.db2.gz LZWOAUWWSFSRDG-JTQLQIEISA-N -1 0 336.298 3.227 20 30 EGEDRM Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C1CCC1)C1CCC1 ZINC000329232942 456857820 /nfs/dbraw/zinc/85/78/20/456857820.db2.gz LPACJLNSPJEQMI-UHFFFAOYSA-N -1 0 327.428 3.142 20 30 EGEDRM O=C(N=c1cn[n-]s1)N[C@@H]1CCCc2cn(C3CCCC3)nc21 ZINC000330273592 457018594 /nfs/dbraw/zinc/01/85/94/457018594.db2.gz ZLAPKTFJHIBSGR-GFCCVEGCSA-N -1 0 332.433 3.253 20 30 EGEDRM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2n[nH]c(C3CC3)c2C#N)cc1 ZINC000362661983 457031779 /nfs/dbraw/zinc/03/17/79/457031779.db2.gz HKIFOVOFUDKLBZ-NSHDSACASA-N -1 0 344.440 3.473 20 30 EGEDRM CC[C@H](NC(=O)N=c1nc(C(C)(C)C)[n-]s1)c1c(C)noc1C ZINC000330484329 457048105 /nfs/dbraw/zinc/04/81/05/457048105.db2.gz XIZJWMNKCRLMQD-JTQLQIEISA-N -1 0 337.449 3.340 20 30 EGEDRM N#CC[C@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000356565745 457058674 /nfs/dbraw/zinc/05/86/74/457058674.db2.gz MESZDWPANDOJPC-CYBMUJFWSA-N -1 0 325.324 3.326 20 30 EGEDRM CC(C)Cn1cc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)cn1 ZINC000359496554 457088685 /nfs/dbraw/zinc/08/86/85/457088685.db2.gz ARGZMEJKJCGOBY-CYBMUJFWSA-N -1 0 336.317 3.443 20 30 EGEDRM C=C[C@@H]1OCC[C@H]1NC(=O)c1cc(Br)cc(Cl)c1[O-] ZINC000331316665 457165419 /nfs/dbraw/zinc/16/54/19/457165419.db2.gz JIUYUTUUDSXKIS-MNOVXSKESA-N -1 0 346.608 3.456 20 30 EGEDRM CC(=O)Nc1ccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)nc1 ZINC000360337242 457303002 /nfs/dbraw/zinc/30/30/02/457303002.db2.gz RIYBFONBBRZXEM-GFCCVEGCSA-N -1 0 328.397 3.110 20 30 EGEDRM N#Cc1cc(F)ccc1[N-]S(=O)(=O)c1cnc2ccc(F)cc2c1 ZINC000342447206 457308910 /nfs/dbraw/zinc/30/89/10/457308910.db2.gz MCWRMZNLDWFVLW-UHFFFAOYSA-N -1 0 345.330 3.185 20 30 EGEDRM Cc1cccc(-c2cnc([N-]S(=O)(=O)c3ccc(C#N)o3)s2)c1 ZINC000342673854 457446088 /nfs/dbraw/zinc/44/60/88/457446088.db2.gz YANYOLHCDNNDME-UHFFFAOYSA-N -1 0 345.405 3.384 20 30 EGEDRM C=CCC[C@@H](NC(=O)[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F)C(=O)[O-] ZINC000425253640 457473238 /nfs/dbraw/zinc/47/32/38/457473238.db2.gz KJYXNXGLNVEPSO-JCXRDGCHSA-N -1 0 333.350 3.137 20 30 EGEDRM C=CCCC[C@H](C)NC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000398238909 457496469 /nfs/dbraw/zinc/49/64/69/457496469.db2.gz XUQKCHQPZPVGCM-GUYCJALGSA-N -1 0 343.427 3.208 20 30 EGEDRM C[C@@H]1Oc2c(cccc2C([O-])=C(C#N)c2nc3ccccc3o2)NC1=O ZINC000352698055 457539739 /nfs/dbraw/zinc/53/97/39/457539739.db2.gz NWAUMQYVUZHEAQ-JQWIXIFHSA-N -1 0 347.330 3.037 20 30 EGEDRM COc1ccc(/C=C/c2nc(C(=O)[O-])ccc2C#N)cc1OC(F)F ZINC000357571052 457600290 /nfs/dbraw/zinc/60/02/90/457600290.db2.gz UUMUJZYFALMHDB-GORDUTHDSA-N -1 0 346.289 3.432 20 30 EGEDRM CCn1nc(C(C)C)cc1C([O-])=C(C#N)c1cnc2ccccc2n1 ZINC000361531587 457774999 /nfs/dbraw/zinc/77/49/99/457774999.db2.gz SAMLWQLUGLJSHW-ZDUSSCGKSA-N -1 0 333.395 3.460 20 30 EGEDRM Cc1csc([C@@H](NS(=O)(=O)c2ccc(C#N)c(C)c2)C2CC2)n1 ZINC000443913315 457822743 /nfs/dbraw/zinc/82/27/43/457822743.db2.gz MYIPDTYXNDLZIK-HNNXBMFYSA-N -1 0 347.465 3.061 20 30 EGEDRM C=CCOc1ccc(CNCc2nc(C(=O)[O-])cs2)cc1Cl ZINC000426641021 457868614 /nfs/dbraw/zinc/86/86/14/457868614.db2.gz XECXNIOJUUYMHW-UHFFFAOYSA-N -1 0 338.816 3.349 20 30 EGEDRM C=CCCCS(=O)(=O)Nc1ccc2c(c1)nc1n2CCCCC1 ZINC000427776861 458033947 /nfs/dbraw/zinc/03/39/47/458033947.db2.gz JHZCMVCDCKBMKC-UHFFFAOYSA-N -1 0 333.457 3.471 20 30 EGEDRM Cc1c([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)cnn1C1CCCC1 ZINC000435714482 458187605 /nfs/dbraw/zinc/18/76/05/458187605.db2.gz KTSMWIHVVRQMMD-UHFFFAOYSA-N -1 0 344.440 3.288 20 30 EGEDRM C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccc([O-])c(Cl)c1 ZINC000436630537 458347659 /nfs/dbraw/zinc/34/76/59/458347659.db2.gz OCRZNFOBURFCIQ-UHFFFAOYSA-N -1 0 335.787 3.349 20 30 EGEDRM CCC(=O)c1ccc([O-])c(NC(=O)c2c(F)cc(C#N)cc2F)c1 ZINC000436647340 458351006 /nfs/dbraw/zinc/35/10/06/458351006.db2.gz JROLGQUYTRBRLR-UHFFFAOYSA-N -1 0 330.290 3.387 20 30 EGEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1cccc(Cl)c1OCC(F)F ZINC000416963148 458358211 /nfs/dbraw/zinc/35/82/11/458358211.db2.gz RANCGPAEJQEPAZ-QMMMGPOBSA-N -1 0 338.763 3.028 20 30 EGEDRM N#Cc1cccc(C(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)c1 ZINC000377090922 458459834 /nfs/dbraw/zinc/45/98/34/458459834.db2.gz LIXYTBMVBLLSJR-UHFFFAOYSA-N -1 0 334.375 3.276 20 30 EGEDRM Cc1[n-][nH]c(=NC(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)c1C#N ZINC000431677181 458605545 /nfs/dbraw/zinc/60/55/45/458605545.db2.gz CESRKABPHWXETQ-UWVGGRQHSA-N -1 0 335.194 3.061 20 30 EGEDRM C=CCOc1cc(OC)ccc1C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000431779881 458622043 /nfs/dbraw/zinc/62/20/43/458622043.db2.gz BSFZWKMJFZKFFJ-UHFFFAOYSA-N -1 0 345.326 3.350 20 30 EGEDRM C=CCC[C@@H](C(=O)N=c1nc([C@H](C)OC)[n-]s1)c1ccccc1 ZINC000511118511 458777805 /nfs/dbraw/zinc/77/78/05/458777805.db2.gz CLJXQVCAPZNNIP-GXTWGEPZSA-N -1 0 331.441 3.356 20 30 EGEDRM Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1ccccc1CC#N ZINC000554659181 458901719 /nfs/dbraw/zinc/90/17/19/458901719.db2.gz HSPSYWDSVYEAIK-UHFFFAOYSA-N -1 0 337.404 3.410 20 30 EGEDRM Cc1cccc2[nH]c(C(C#N)=C([O-])c3noc4c3C[C@@H](C)CC4)nc21 ZINC000518957970 458902646 /nfs/dbraw/zinc/90/26/46/458902646.db2.gz KIUILELLTJBUPO-GWCFXTLKSA-N -1 0 334.379 3.474 20 30 EGEDRM N#Cc1ccc2c(c1)N(C(=O)c1cccc(Br)c1[O-])CC2 ZINC000555864306 458915066 /nfs/dbraw/zinc/91/50/66/458915066.db2.gz UMCBHMCOTRLBOD-UHFFFAOYSA-N -1 0 343.180 3.229 20 30 EGEDRM C=CCC[C@@H](NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1)C(=O)[O-] ZINC000495959862 459019604 /nfs/dbraw/zinc/01/96/04/459019604.db2.gz DBNJDJVWZJEZCU-CQSZACIVSA-N -1 0 348.399 3.183 20 30 EGEDRM C=CCn1c(Cc2ccc3ccccc3c2)n[n-]c1=Nc1cnn(C)c1 ZINC000567651801 459139819 /nfs/dbraw/zinc/13/98/19/459139819.db2.gz GROPSTVWCXEDCR-UHFFFAOYSA-N -1 0 344.422 3.107 20 30 EGEDRM N#Cc1ccc(NC(=O)N(CC(=O)[O-])Cc2ccc(Cl)cc2)cc1 ZINC000578110108 459146671 /nfs/dbraw/zinc/14/66/71/459146671.db2.gz UHPOWRFNOPBTLO-UHFFFAOYSA-N -1 0 343.770 3.330 20 30 EGEDRM CC(C)COc1ccc(-c2cc(OCC(=O)[O-])ccc2C#N)cn1 ZINC000568108459 459228883 /nfs/dbraw/zinc/22/88/83/459228883.db2.gz AMAPWYAOSQJAMR-UHFFFAOYSA-N -1 0 326.352 3.118 20 30 EGEDRM N#Cc1c(F)ccc(CN=c2[n-]ncn2Cc2ccccc2)c1Cl ZINC000559413197 459258014 /nfs/dbraw/zinc/25/80/14/459258014.db2.gz HCAVINHNUDJSKM-UHFFFAOYSA-N -1 0 341.777 3.025 20 30 EGEDRM CC(C)C[C@H](CNC(=O)N[C@@H](C)c1cccc(C#N)c1)CC(=O)[O-] ZINC000595261119 459263456 /nfs/dbraw/zinc/26/34/56/459263456.db2.gz RPXSXHXJEFQKOB-ZFWWWQNUSA-N -1 0 331.416 3.055 20 30 EGEDRM C=CCSCCNC(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000559573786 459266633 /nfs/dbraw/zinc/26/66/33/459266633.db2.gz PWWCWIZGWVJKLX-INIZCTEOSA-N -1 0 344.436 3.184 20 30 EGEDRM Cc1cc(C(C#N)=C([O-])c2cnc(-c3cccnc3)s2)nc(C)n1 ZINC000534939168 459353055 /nfs/dbraw/zinc/35/30/55/459353055.db2.gz SHFQDXVOOWDKGJ-ZDUSSCGKSA-N -1 0 335.392 3.102 20 30 EGEDRM N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)C[C@H](C(=O)[O-])c1ccccc1 ZINC000591325083 459355465 /nfs/dbraw/zinc/35/54/65/459355465.db2.gz UOEWVTOXNJAGAC-RBUKOAKNSA-N -1 0 348.402 3.310 20 30 EGEDRM C=CCOc1ccccc1CNC(=O)NC1(C(=O)[O-])CCCCCC1 ZINC000583077702 459478248 /nfs/dbraw/zinc/47/82/48/459478248.db2.gz OUHWJXRJBULAEC-UHFFFAOYSA-N -1 0 346.427 3.228 20 30 EGEDRM CC(C)(C)c1ccc(C#N)c(Nc2cnn(C(C)(C)C(=O)[O-])c2)n1 ZINC000595979308 459491829 /nfs/dbraw/zinc/49/18/29/459491829.db2.gz SEYZNHPXWDTQRM-UHFFFAOYSA-N -1 0 327.388 3.011 20 30 EGEDRM CC(=O)c1cc(C([O-])=C(C#N)c2nc3ccccc3n2C)c(C)nc1C ZINC000486988858 459525155 /nfs/dbraw/zinc/52/51/55/459525155.db2.gz KLFAJFPIJQIOCD-MRXNPFEDSA-N -1 0 346.390 3.278 20 30 EGEDRM C=CCn1cccc1C(=O)NCc1ccc(O)c(Br)c1 ZINC000489023851 459558817 /nfs/dbraw/zinc/55/88/17/459558817.db2.gz QJGHTCCZCOEVIB-UHFFFAOYSA-N -1 0 335.201 3.072 20 30 EGEDRM C[C@](C#N)(NC(=O)c1nn(-c2ccccc2)cc1[O-])C1CCCCC1 ZINC000572549541 459580952 /nfs/dbraw/zinc/58/09/52/459580952.db2.gz AYNDKSDTSNWEHI-LJQANCHMSA-N -1 0 338.411 3.170 20 30 EGEDRM COc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ncccc1C#N ZINC000592383495 459587381 /nfs/dbraw/zinc/58/73/81/459587381.db2.gz YFBAOFNFSYHWSI-UHFFFAOYSA-N -1 0 345.424 3.060 20 30 EGEDRM COc1cc(C([O-])=C(C#N)c2nc(C3CC3)cs2)ccc1[N+](=O)[O-] ZINC000592398280 459592033 /nfs/dbraw/zinc/59/20/33/459592033.db2.gz BJELJQWUWJXTPB-LLVKDONJSA-N -1 0 343.364 3.427 20 30 EGEDRM N#CCc1ccc(NC(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)c(Cl)c1 ZINC000562804418 459650916 /nfs/dbraw/zinc/65/09/16/459650916.db2.gz GVGYTPAULGWSIG-YVEFUNNKSA-N -1 0 347.802 3.125 20 30 EGEDRM C#C[C@@H](NC(=O)N=c1[n-]nc(C(F)F)s1)c1ccc(Cl)cc1 ZINC000491697771 459655740 /nfs/dbraw/zinc/65/57/40/459655740.db2.gz QJJTYKGBQYTIHT-SECBINFHSA-N -1 0 342.758 3.047 20 30 EGEDRM CC(=O)c1cc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)n(C)c1 ZINC000592973645 459726672 /nfs/dbraw/zinc/72/66/72/459726672.db2.gz DBTTZROJIRYDFF-LBPRGKRZSA-N -1 0 341.367 3.467 20 30 EGEDRM C=CCC[C@H](NC(=O)/C=C\c1ccc(OC(C)C)c(OC)c1)C(=O)[O-] ZINC000493201072 459736346 /nfs/dbraw/zinc/73/63/46/459736346.db2.gz PDKDYSYWEBRSHP-KLQCNHIUSA-N -1 0 347.411 3.031 20 30 EGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000528914985 459816567 /nfs/dbraw/zinc/81/65/67/459816567.db2.gz SKNULNBGRVVFBJ-VUOJEKOBSA-N -1 0 338.407 3.427 20 30 EGEDRM C=CCn1c(-c2ccc(C#N)cc2)n[n-]c1=Nc1cccc(OC)c1 ZINC000575029053 459911742 /nfs/dbraw/zinc/91/17/42/459911742.db2.gz XSIOVQVWRQKGBR-UHFFFAOYSA-N -1 0 331.379 3.177 20 30 EGEDRM N#CCc1ccc(NC(=O)c2cccc(Br)c2[O-])cc1 ZINC000609287375 459935248 /nfs/dbraw/zinc/93/52/48/459935248.db2.gz OHXUGETVSSNMQE-UHFFFAOYSA-N -1 0 331.169 3.473 20 30 EGEDRM C=CCCOCC(=O)N1CCC([C@@H](CC(=O)[O-])c2ccccc2)CC1 ZINC000621543760 459954792 /nfs/dbraw/zinc/95/47/92/459954792.db2.gz GCYMKYHTBWCCOQ-SFHVURJKSA-N -1 0 345.439 3.076 20 30 EGEDRM Cc1[n-][nH]c(=NC(=O)c2cnc(-c3ccccc3Cl)s2)c1C#N ZINC000588717845 459974726 /nfs/dbraw/zinc/97/47/26/459974726.db2.gz GKVAEVOZEAHKHG-UHFFFAOYSA-N -1 0 343.799 3.041 20 30 EGEDRM N#CCc1cccc(C(=O)N2C[C@@H](C3CCCCC3)C[C@H]2C(=O)[O-])c1 ZINC000598660702 459982370 /nfs/dbraw/zinc/98/23/70/459982370.db2.gz DGKQPLDSOGPKSY-ROUUACIJSA-N -1 0 340.423 3.248 20 30 EGEDRM N#CCc1ccc(C(=O)N2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])cc1 ZINC000598660545 459982925 /nfs/dbraw/zinc/98/29/25/459982925.db2.gz ASGSTJKHQFGKOZ-MSOLQXFVSA-N -1 0 340.423 3.248 20 30 EGEDRM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000610056115 460056778 /nfs/dbraw/zinc/05/67/78/460056778.db2.gz HPQHNBIYLGDTNV-UHFFFAOYSA-N -1 0 340.763 3.160 20 30 EGEDRM Cc1cc([N-]S(=O)(=O)c2cncc(C#N)c2)cc(C(F)(F)F)c1 ZINC000589556138 460102861 /nfs/dbraw/zinc/10/28/61/460102861.db2.gz UMXUQZSRMCTNRU-UHFFFAOYSA-N -1 0 341.314 3.081 20 30 EGEDRM COc1ccc(-n2[n-]c(C)c(CCC#N)c2=O)c(C(F)(F)F)c1 ZINC000601951241 460958324 /nfs/dbraw/zinc/95/83/24/460958324.db2.gz VLCOZQOALLGNEU-LLVKDONJSA-N -1 0 325.290 3.356 20 30 EGEDRM N#Cc1ccc(-n2[n-]c3c(c2=O)CSCC3)c(C(F)(F)F)c1 ZINC000601950996 460958689 /nfs/dbraw/zinc/95/86/89/460958689.db2.gz YJLOPWHZUSFZGR-VIFPVBQESA-N -1 0 325.315 3.033 20 30 EGEDRM C[C@@H]1CCc2sc(NC(=O)CSCC(=O)[O-])c(C#N)c2[C@H]1C ZINC000601989201 460974010 /nfs/dbraw/zinc/97/40/10/460974010.db2.gz FPKGUJQKEAISNW-BDAKNGLRSA-N -1 0 338.454 3.062 20 30 EGEDRM C=CC[C@@H]1CCCN(C(=O)c2nn(-c3ccccc3F)cc2[O-])C1 ZINC000617782242 460975511 /nfs/dbraw/zinc/97/55/11/460975511.db2.gz ALDUCDLHFMZSID-CYBMUJFWSA-N -1 0 329.375 3.145 20 30 EGEDRM C=CC[C@@H]1CCCN(C(=O)c2nn(-c3ccc(F)cc3C)cc2[O-])C1 ZINC000617782476 460975897 /nfs/dbraw/zinc/97/58/97/460975897.db2.gz GIIPHJNRKQCZGC-CQSZACIVSA-N -1 0 343.402 3.454 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)CCc1ccc(OC(F)(F)F)cc1)C(=O)[O-] ZINC000630326950 461096163 /nfs/dbraw/zinc/09/61/63/461096163.db2.gz UKRVPKVOPZPEAN-CYBMUJFWSA-N -1 0 345.317 3.053 20 30 EGEDRM N#CC(=C([O-])c1cccc2[nH]c(=O)oc21)c1nc(C2CC2)cs1 ZINC000647378510 461669246 /nfs/dbraw/zinc/66/92/46/461669246.db2.gz BCQKJOUDKAQVQU-SNVBAGLBSA-N -1 0 325.349 3.357 20 30 EGEDRM CC(C)(C)n1cnc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)n1 ZINC000643694887 461781332 /nfs/dbraw/zinc/78/13/32/461781332.db2.gz YXDDFNLZGNWPOB-SNVBAGLBSA-N -1 0 343.387 3.272 20 30 EGEDRM CCCCS(=O)(=O)[N-]C(=O)[C@@H](C)Sc1ccc(OC)cc1 ZINC000048556245 520922204 /nfs/dbraw/zinc/92/22/04/520922204.db2.gz ZMCDYBLBZJVFIN-LLVKDONJSA-N -1 0 331.459 3.262 20 30 EGEDRM Cc1ncc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)c(C)n1 ZINC000679090790 549632390 /nfs/dbraw/zinc/63/23/90/549632390.db2.gz CPXIWYBEOVNOIT-NSHDSACASA-N -1 0 326.356 3.332 20 30 EGEDRM CC(C)(C)c1nc(C([O-])=C(C#N)C(=O)NC2CCCCC2)cs1 ZINC000726732866 574568640 /nfs/dbraw/zinc/56/86/40/574568640.db2.gz LNHYSYMVMSMBEE-GFCCVEGCSA-N -1 0 333.457 3.212 20 30 EGEDRM CCC(=NNS(=O)(=O)C(C)C)c1cc(Cl)cc(Cl)c1[O-] ZINC000749745731 574638874 /nfs/dbraw/zinc/63/88/74/574638874.db2.gz RAYSJDXUBBOXGX-UHFFFAOYSA-N -1 0 339.244 3.141 20 30 EGEDRM N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NCCC(=O)[O-])c1 ZINC000738426230 574663311 /nfs/dbraw/zinc/66/33/11/574663311.db2.gz WFJYXYIYGLJLIY-UHFFFAOYSA-N -1 0 344.754 3.208 20 30 EGEDRM COc1cccc([C@@H](C)C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000738093556 574716566 /nfs/dbraw/zinc/71/65/66/574716566.db2.gz XFLUAFMULLVADJ-PXAZEXFGSA-N -1 0 339.347 3.039 20 30 EGEDRM C[C@@H](Oc1cccc(C(=O)/C=C\c2cccnc2Cl)c1)C(=O)[O-] ZINC000728697382 574767293 /nfs/dbraw/zinc/76/72/93/574767293.db2.gz OUPMLAAKGKGYFL-SKVAFPRGSA-N -1 0 331.755 3.483 20 30 EGEDRM C#CCOc1ccc(NC(=O)C[C@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC000731040218 575046073 /nfs/dbraw/zinc/04/60/73/575046073.db2.gz LSAZVEKOOSPKQZ-FQEVSTJZSA-N -1 0 337.375 3.070 20 30 EGEDRM C[C@@H](Oc1cccc(/C=C2\COc3ccc(F)cc3C2=O)c1)C(=O)[O-] ZINC000731564856 575080821 /nfs/dbraw/zinc/08/08/21/575080821.db2.gz AYHANSZUWIKPLK-ZTFCMROMSA-N -1 0 342.322 3.336 20 30 EGEDRM CCc1ccccc1NN=Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC000731559061 575081778 /nfs/dbraw/zinc/08/17/78/575081778.db2.gz RYQIYACSCCKYKN-UHFFFAOYSA-N -1 0 343.339 3.067 20 30 EGEDRM Cc1cccc(C[C@@H](CNc2ccc(C#N)cc2[N+](=O)[O-])C(=O)[O-])c1 ZINC000738708034 575239620 /nfs/dbraw/zinc/23/96/20/575239620.db2.gz RAAMDUOIUVAZGJ-HNNXBMFYSA-N -1 0 339.351 3.130 20 30 EGEDRM CCOc1cccc(C(=O)/C=C\c2cccc(OCC(=O)[O-])c2)c1 ZINC000733205986 575319332 /nfs/dbraw/zinc/31/93/32/575319332.db2.gz AKLBIXOYFUZTKD-KTKRTIGZSA-N -1 0 326.348 3.445 20 30 EGEDRM Cc1ccsc1C(C)N=Nc1oc(CC(C)C)nc1-c1nnn[n-]1 ZINC000735459211 575664626 /nfs/dbraw/zinc/66/46/26/575664626.db2.gz YJDPVEHXGUKVFE-UHFFFAOYSA-N -1 0 345.432 3.259 20 30 EGEDRM C#CCOc1ccc(C(=O)N(c2ccccc2)[C@H](CC)C(=O)[O-])cc1 ZINC000736075785 575896082 /nfs/dbraw/zinc/89/60/82/575896082.db2.gz HOQJOOSKMDPHEV-GOSISDBHSA-N -1 0 337.375 3.209 20 30 EGEDRM C=CCNC(=O)Nc1ccc(N[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000736106227 575897051 /nfs/dbraw/zinc/89/70/51/575897051.db2.gz URIHYIXLXVFNIE-MRXNPFEDSA-N -1 0 343.358 3.371 20 30 EGEDRM C#CCOc1ccccc1[C@H](C)OC(=O)c1ccc(C(=O)[O-])s1 ZINC000736087737 575897557 /nfs/dbraw/zinc/89/75/57/575897557.db2.gz JGKKDOMMXIYMJQ-NSHDSACASA-N -1 0 330.361 3.376 20 30 EGEDRM C#Cc1cccc(N(C(C)C)S(=O)(=O)c2cc(C(=O)[O-])cs2)c1 ZINC000736091343 575898555 /nfs/dbraw/zinc/89/85/55/575898555.db2.gz PUTSHMNSCTYDHH-UHFFFAOYSA-N -1 0 349.433 3.031 20 30 EGEDRM C=CCOc1ccccc1C(=O)OCc1ccc(F)cc1C(=O)[O-] ZINC000736113749 575900242 /nfs/dbraw/zinc/90/02/42/575900242.db2.gz DAUIRWVTLRJIJA-UHFFFAOYSA-N -1 0 330.311 3.446 20 30 EGEDRM CC(=O)Nc1cc(N[C@H](C(=O)[O-])c2ccc(C#N)cc2)ccc1Cl ZINC000736160866 575905716 /nfs/dbraw/zinc/90/57/16/575905716.db2.gz MJDVCOJJPAKJAP-INIZCTEOSA-N -1 0 343.770 3.408 20 30 EGEDRM C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(C(=O)[O-])nc1 ZINC000736203967 575914932 /nfs/dbraw/zinc/91/49/32/575914932.db2.gz WZSJCVJXQAYMHD-LLVKDONJSA-N -1 0 341.392 3.284 20 30 EGEDRM C[C@@H](CN(C)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1)C(=O)[O-] ZINC000736574240 575986224 /nfs/dbraw/zinc/98/62/24/575986224.db2.gz AGWFHRZEAAVZQF-ZDUSSCGKSA-N -1 0 338.363 3.143 20 30 EGEDRM C[C@@H](Oc1ccc(C#N)cc1)c1nc(-c2ccc(C(=O)[O-])cc2)no1 ZINC000736700400 576009101 /nfs/dbraw/zinc/00/91/01/576009101.db2.gz LNALACOLRPYSOG-LLVKDONJSA-N -1 0 335.319 3.446 20 30 EGEDRM C[C@H]1CCc2c(sc(NC(=O)CON=C3CCC3)c2C(=O)[O-])C1 ZINC000736800029 576033442 /nfs/dbraw/zinc/03/34/42/576033442.db2.gz BIUPGVVQEJEKOA-VIFPVBQESA-N -1 0 336.413 3.066 20 30 EGEDRM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1c1ccc(C#N)cc1F ZINC000736822913 576042531 /nfs/dbraw/zinc/04/25/31/576042531.db2.gz FHFNGXINWVHPHE-CYBMUJFWSA-N -1 0 339.370 3.111 20 30 EGEDRM CCCCc1oc2ccccc2c1/C=C/C(=O)N(CC#N)CC(=O)[O-] ZINC000737003829 576075543 /nfs/dbraw/zinc/07/55/43/576075543.db2.gz KIKWYXZJNMKYJN-MDZDMXLPSA-N -1 0 340.379 3.225 20 30 EGEDRM CCOc1cc(N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)ccc1OC ZINC000737191408 576132085 /nfs/dbraw/zinc/13/20/85/576132085.db2.gz LHZJZXRRPUYRFG-QGZVFWFLSA-N -1 0 326.352 3.203 20 30 EGEDRM CCOc1ccc(O)c(/C=N\[C@@H](CC(=O)[O-])c2ccc(OC)cc2)c1 ZINC000737203165 576135289 /nfs/dbraw/zinc/13/52/89/576135289.db2.gz JXGDBISSKCUBKO-BRLDDBHUSA-N -1 0 343.379 3.434 20 30 EGEDRM CCn1cc(/C=C/C(=O)c2cnc3sc(C(=O)[O-])c(C)c3c2)cn1 ZINC000737301805 576201240 /nfs/dbraw/zinc/20/12/40/576201240.db2.gz ATBNPADCVREEOP-SNAWJCMRSA-N -1 0 341.392 3.415 20 30 EGEDRM CN(C)c1ccc(/C=C\C(=O)c2ccc(OCC(=O)[O-])cc2)cc1F ZINC000737376378 576217106 /nfs/dbraw/zinc/21/71/06/576217106.db2.gz DFHOOMGGCSOZQX-WMZJFQQLSA-N -1 0 343.354 3.251 20 30 EGEDRM CN(CC(=O)[O-])C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 ZINC000737402326 576221546 /nfs/dbraw/zinc/22/15/46/576221546.db2.gz JXXKAHXEQQSQIQ-UHFFFAOYSA-N -1 0 344.754 3.161 20 30 EGEDRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2sccc2C#N)cc1 ZINC000738203342 576299320 /nfs/dbraw/zinc/29/93/20/576299320.db2.gz ROSJJTKHXAMCDM-ZDUSSCGKSA-N -1 0 346.433 3.287 20 30 EGEDRM Cc1c(C(=O)/C=C/c2ccoc2C(=O)[O-])cnn1-c1ccc(C#N)cc1 ZINC000738252527 576306247 /nfs/dbraw/zinc/30/62/47/576306247.db2.gz DVYYOLIAZPXBPX-QPJJXVBHSA-N -1 0 347.330 3.240 20 30 EGEDRM N#Cc1ccc(Nc2cccc(C(=O)N3CCC(C(=O)[O-])CC3)c2)cc1 ZINC000738430657 576324832 /nfs/dbraw/zinc/32/48/32/576324832.db2.gz JKJFELZAZOGSLB-UHFFFAOYSA-N -1 0 349.390 3.239 20 30 EGEDRM Cc1cccc2[nH]c([C@H](C#N)C(=O)CCc3ccc(C(=O)[O-])cc3)nc21 ZINC000738747282 576358774 /nfs/dbraw/zinc/35/87/74/576358774.db2.gz RIDKUFFBISOBDE-OAHLLOKOSA-N -1 0 347.374 3.379 20 30 EGEDRM N#CCn1c(C(=O)Nc2ccc(CC(=O)[O-])cc2)cc2ccccc21 ZINC000739091754 576377445 /nfs/dbraw/zinc/37/74/45/576377445.db2.gz MHQMCPRQSCHUDG-UHFFFAOYSA-N -1 0 333.347 3.044 20 30 EGEDRM N#CCn1c(C(=O)Nc2ccc(CCC(=O)[O-])cc2)cc2ccccc21 ZINC000739092634 576377633 /nfs/dbraw/zinc/37/76/33/576377633.db2.gz RBHWODYYNQHJDF-UHFFFAOYSA-N -1 0 347.374 3.434 20 30 EGEDRM N#Cc1ccc([C@H](C(=O)[O-])N2CCc3[nH]c4ccccc4c3C2)cc1 ZINC000739104960 576377936 /nfs/dbraw/zinc/37/79/36/576377936.db2.gz IJKRZMIKAHPMLN-LJQANCHMSA-N -1 0 331.375 3.224 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)C(=O)[O-])cc1 ZINC000739109387 576378484 /nfs/dbraw/zinc/37/84/84/576378484.db2.gz KWOVNYITYKRKSA-BBWFWOEESA-N -1 0 339.322 3.170 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)c2ccc(-n3cccc3)cc2)C(=O)[O-])cc1 ZINC000739113985 576378517 /nfs/dbraw/zinc/37/85/17/576378517.db2.gz DLPONNYSCLNOAP-SFHVURJKSA-N -1 0 346.342 3.332 20 30 EGEDRM N#Cc1ccc([C@@H](OC(=O)/C=C/c2ccccc2F)C(=O)[O-])cc1 ZINC000739112370 576378584 /nfs/dbraw/zinc/37/85/84/576378584.db2.gz ZDSXIBOIWOGEFK-OAGJVSPASA-N -1 0 325.295 3.080 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)CSc2ccccc2)C(=O)[O-])cc1 ZINC000739115222 576378726 /nfs/dbraw/zinc/37/87/26/576378726.db2.gz OTBQIQNZIAIBSD-INIZCTEOSA-N -1 0 327.361 3.019 20 30 EGEDRM N#Cc1ccc(CCC(=O)OCc2ccc(F)cc2C(=O)[O-])cc1 ZINC000739116695 576378780 /nfs/dbraw/zinc/37/87/80/576378780.db2.gz CTROOJZTNKAGIB-UHFFFAOYSA-N -1 0 327.311 3.072 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)c2nccc3ccccc32)C(=O)[O-])cc1 ZINC000739116681 576378834 /nfs/dbraw/zinc/37/88/34/576378834.db2.gz CGYMRVVWODEXHZ-KRWDZBQOSA-N -1 0 332.315 3.089 20 30 EGEDRM N#Cc1ccc([C@@H](OC(=O)c2csc3c2CCCC3)C(=O)[O-])cc1 ZINC000739119298 576379104 /nfs/dbraw/zinc/37/91/04/576379104.db2.gz YLWCUYFBSJNPPA-MRXNPFEDSA-N -1 0 341.388 3.481 20 30 EGEDRM N#Cc1ccccc1/C=C/C(=O)OCc1ccc(F)cc1C(=O)[O-] ZINC000739139325 576379506 /nfs/dbraw/zinc/37/95/06/576379506.db2.gz FVNXHKMHUOXDSJ-SOFGYWHQSA-N -1 0 325.295 3.152 20 30 EGEDRM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)NC3CCC3)c2)c1 ZINC000739478498 576416668 /nfs/dbraw/zinc/41/66/68/576416668.db2.gz CPOLRQQGWIMJSW-UHFFFAOYSA-N -1 0 334.375 3.459 20 30 EGEDRM O=C([O-])CCSCc1cccc(N=Cc2ccc(O)c(O)c2O)c1 ZINC000739751626 576503063 /nfs/dbraw/zinc/50/30/63/576503063.db2.gz HHQZHVCRZMTGOQ-UHFFFAOYSA-N -1 0 347.392 3.262 20 30 EGEDRM O=C([O-])c1ccc2[nH]cc(CN=Nc3cnc4ccccc4n3)c2c1 ZINC000740190166 576562547 /nfs/dbraw/zinc/56/25/47/576562547.db2.gz KYHXOWYKPCWUJX-UHFFFAOYSA-N -1 0 331.335 3.255 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])c(/C=N/C[C@H](O)c2c(F)cccc2Cl)c1 ZINC000741166162 576662750 /nfs/dbraw/zinc/66/27/50/576662750.db2.gz XLYQPDBVKRIZCH-AVWXOPBPSA-N -1 0 338.722 3.245 20 30 EGEDRM C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000741656377 576708981 /nfs/dbraw/zinc/70/89/81/576708981.db2.gz ADZIBDXPBWPSFL-UHFFFAOYSA-N -1 0 339.775 3.292 20 30 EGEDRM N#Cc1ccc(F)c(C[NH2+]Cc2cc(Br)ccc2O)c1 ZINC000742381654 576776675 /nfs/dbraw/zinc/77/66/75/576776675.db2.gz BCNJAFYFUZUUDR-UHFFFAOYSA-N -1 0 335.176 3.455 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2sccc2C2CC2)n1 ZINC000742904372 576797483 /nfs/dbraw/zinc/79/74/83/576797483.db2.gz MLRXKODKPHGIFC-GFCCVEGCSA-N -1 0 346.433 3.424 20 30 EGEDRM Cc1nn(C)c(Cl)c1/C=C\C(=O)c1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000745020645 576838717 /nfs/dbraw/zinc/83/87/17/576838717.db2.gz GEHXOEUJCQSFLR-SKVAFPRGSA-N -1 0 348.786 3.130 20 30 EGEDRM N#Cc1ccc(CN(C(=O)NCc2ccc(C(=O)[O-])cc2)C2CC2)cc1 ZINC000263478374 597300998 /nfs/dbraw/zinc/30/09/98/597300998.db2.gz NFKUUPQKMRBZNL-UHFFFAOYSA-N -1 0 349.390 3.131 20 30 EGEDRM C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H]1C(=O)[O-] ZINC000819874655 598206739 /nfs/dbraw/zinc/20/67/39/598206739.db2.gz OBPNXICWVJMVTE-YPMHNXCESA-N -1 0 333.413 3.019 20 30 EGEDRM CC(=O)N1Cc2ccccc2C(=O)/C(=C\c2cccc(C(=O)[O-])c2)C1 ZINC000774130733 598208345 /nfs/dbraw/zinc/20/83/45/598208345.db2.gz OICFRUOVZXGFNQ-YVLHZVERSA-N -1 0 335.359 3.013 20 30 EGEDRM CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC000820344128 598224837 /nfs/dbraw/zinc/22/48/37/598224837.db2.gz QJPMZQPPQNLQPM-OAHLLOKOSA-N -1 0 343.210 3.346 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1ccc(OC2CCCCC2)cc1 ZINC000819842794 598226105 /nfs/dbraw/zinc/22/61/05/598226105.db2.gz UAXFYSGDCDPNLW-IBGZPJMESA-N -1 0 344.411 3.019 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCc2cc(-c3ccccc3)ccc21 ZINC000819822978 598230560 /nfs/dbraw/zinc/23/05/60/598230560.db2.gz QUUIJRSBKPONDW-FQEVSTJZSA-N -1 0 334.375 3.247 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)c2cc3cccc(F)c3o2)C(=O)[O-])cc1 ZINC000833073114 600699126 /nfs/dbraw/zinc/69/91/26/600699126.db2.gz VTQZAGWHYHEQOT-INIZCTEOSA-N -1 0 339.278 3.426 20 30 EGEDRM CCOc1c(F)cccc1C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000830027243 600735961 /nfs/dbraw/zinc/73/59/61/600735961.db2.gz TVAARFXINMRBRI-HNNXBMFYSA-N -1 0 343.310 3.079 20 30 EGEDRM C=CCOc1ccc(OS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000825698405 600789203 /nfs/dbraw/zinc/78/92/03/600789203.db2.gz IAADHELHSTVLCP-UHFFFAOYSA-N -1 0 348.376 3.026 20 30 EGEDRM C=CCOc1ccc(OS(=O)(=O)c2cc(C(=O)[O-])ccc2C)cc1 ZINC000825698817 600793739 /nfs/dbraw/zinc/79/37/39/600793739.db2.gz LLZRAJTYVWTYKP-UHFFFAOYSA-N -1 0 348.376 3.026 20 30 EGEDRM N#CCc1cccc(C(=O)N[C@@H](CC(=O)[O-])c2cccc(Cl)c2)c1 ZINC000776676414 600800566 /nfs/dbraw/zinc/80/05/66/600800566.db2.gz FZKPSRYVWPTASS-INIZCTEOSA-N -1 0 342.782 3.352 20 30 EGEDRM Cc1cc(F)cc2c1ncc(C#N)c2N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000832890566 600815307 /nfs/dbraw/zinc/81/53/07/600815307.db2.gz XMHNLMQKSYFNIP-OAHLLOKOSA-N -1 0 339.370 3.245 20 30 EGEDRM N#CCCN(CCC#N)Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000833065735 600997873 /nfs/dbraw/zinc/99/78/73/600997873.db2.gz KOROZTNUXNCNRX-UHFFFAOYSA-N -1 0 340.408 3.138 20 30 EGEDRM C#CCOc1ccccc1[C@H](C)OC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000825631316 601238920 /nfs/dbraw/zinc/23/89/20/601238920.db2.gz BDRADRNBKPVIEG-ZNMIVQPWSA-N -1 0 330.380 3.194 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1ccc(C#N)s1 ZINC000825702072 601275691 /nfs/dbraw/zinc/27/56/91/601275691.db2.gz BXLRPNBCWOXNDK-UHFFFAOYSA-N -1 0 343.360 3.274 20 30 EGEDRM N#Cc1ccc(C(=O)NCc2c3ccccc3sc2C(=O)[O-])s1 ZINC000833071527 601283245 /nfs/dbraw/zinc/28/32/45/601283245.db2.gz IMHMYCUQDHOUPV-UHFFFAOYSA-N -1 0 342.401 3.463 20 30 EGEDRM Cc1cccc(N2CCN([C@@H](C(=O)[O-])c3cccc(C#N)c3)CC2)c1C ZINC000832971485 601297945 /nfs/dbraw/zinc/29/79/45/601297945.db2.gz PAGZQJSLCSDFHM-HXUWFJFHSA-N -1 0 349.434 3.123 20 30 EGEDRM C[C@@H]1CN([C@H](C(=O)[O-])c2cccc(C#N)c2)C[C@H](c2ccccc2)O1 ZINC000828413660 601312387 /nfs/dbraw/zinc/31/23/87/601312387.db2.gz SXQPDEUYOIKAFD-ZMYBRWDISA-N -1 0 336.391 3.146 20 30 EGEDRM O=C([O-])c1ccc(C=NNc2ccc(F)cc2Br)[nH]1 ZINC000833312526 601337414 /nfs/dbraw/zinc/33/74/14/601337414.db2.gz QKNCHOSXOAJIJZ-UHFFFAOYSA-N -1 0 326.125 3.061 20 30 EGEDRM N#Cc1cccc([C@H](OC(=O)C(F)(F)c2ccccc2)C(=O)[O-])c1 ZINC000833075333 601349563 /nfs/dbraw/zinc/34/95/63/601349563.db2.gz KEHDJTQKCJEFSG-AWEZNQCLSA-N -1 0 331.274 3.019 20 30 EGEDRM CC(C)Cc1nc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cs1 ZINC000826912580 601350481 /nfs/dbraw/zinc/35/04/81/601350481.db2.gz CCUOFQRNFVLAHC-HNNXBMFYSA-N -1 0 344.392 3.196 20 30 EGEDRM CC[C@@H](Nc1ccccc1)C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000828998425 601353494 /nfs/dbraw/zinc/35/34/94/601353494.db2.gz ABFJWFVPIOSCBH-IAGOWNOFSA-N -1 0 338.363 3.118 20 30 EGEDRM N#Cc1cccc([C@@H](OC(=O)c2cc3cc(F)ccc3o2)C(=O)[O-])c1 ZINC000833077605 601354183 /nfs/dbraw/zinc/35/41/83/601354183.db2.gz XHVWZSUIIXSCAW-MRXNPFEDSA-N -1 0 339.278 3.426 20 30 EGEDRM C=CCCCC(=O)Nc1cccc(C(=O)N2CCCC[C@H]2C(=O)[O-])c1 ZINC000825671536 601437881 /nfs/dbraw/zinc/43/78/81/601437881.db2.gz SKNPOJORIUXSQF-INIZCTEOSA-N -1 0 344.411 3.061 20 30 EGEDRM N#Cc1cccc([C@H](OC(=O)[C@@H]2C[C@H]2Cc2ccccc2)C(=O)[O-])c1 ZINC000833075541 601604783 /nfs/dbraw/zinc/60/47/83/601604783.db2.gz LPMVCYOPKDOKIY-KURKYZTESA-N -1 0 335.359 3.106 20 30 EGEDRM Cc1cc(C#N)ccc1Oc1ccc(C(=O)NC[C@H](C)C(=O)[O-])cc1 ZINC000832859557 601668414 /nfs/dbraw/zinc/66/84/14/601668414.db2.gz SUSHGTSDUKSKHK-ZDUSSCGKSA-N -1 0 338.363 3.110 20 30 EGEDRM N#Cc1cc(F)c(C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)c(F)c1 ZINC000833068880 601674309 /nfs/dbraw/zinc/67/43/09/601674309.db2.gz OTTHPEAUXTTWDU-UHFFFAOYSA-N -1 0 335.241 3.318 20 30 EGEDRM COc1cc(C(=O)/C=C\c2ccc(C(=O)[O-])cc2)c(OC)cc1O ZINC000763103542 601951643 /nfs/dbraw/zinc/95/16/43/601951643.db2.gz DMDIRWPNEJUXLW-YVMONPNESA-N -1 0 328.320 3.004 20 30 EGEDRM C[C@@H](Oc1ccc(C=NNCc2cccc(Cl)c2)cc1)C(=O)[O-] ZINC000794918569 602075999 /nfs/dbraw/zinc/07/59/99/602075999.db2.gz JHDGJCDVKVTJLT-GFCCVEGCSA-N -1 0 332.787 3.316 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)c2cccc(Cl)c2F)C(=O)[O-])cc1 ZINC000833073057 602100474 /nfs/dbraw/zinc/10/04/74/602100474.db2.gz UZRZLIDSCUJRFF-AWEZNQCLSA-N -1 0 333.702 3.333 20 30 EGEDRM CCn1nc(C)c(C(=O)/C=C\c2ccc(O[C@@H](C)C(=O)[O-])cc2)c1C ZINC000830440812 602110101 /nfs/dbraw/zinc/11/01/01/602110101.db2.gz IDYFZYCBGGTTSC-MSKHEQNASA-N -1 0 342.395 3.268 20 30 EGEDRM COc1ccc2c(c1)C(=O)/C(=C/c1ccc(O[C@H](C)C(=O)[O-])cc1)C2 ZINC000794700248 602112341 /nfs/dbraw/zinc/11/23/41/602112341.db2.gz ICKHMRAWRINGHK-KMHUVPDISA-N -1 0 338.359 3.370 20 30 EGEDRM CCc1nnc(NCCc2ccc(NC(=O)[O-])cc2)c(C#N)c1CC ZINC000830334663 602125860 /nfs/dbraw/zinc/12/58/60/602125860.db2.gz APRBUHYWRDMCMJ-UHFFFAOYSA-N -1 0 339.399 3.218 20 30 EGEDRM N#Cc1cccc(-c2nnc(CNc3cccc(NC(=O)[O-])c3)o2)c1 ZINC000833073996 602127507 /nfs/dbraw/zinc/12/75/07/602127507.db2.gz LTILRKILSSLYTE-UHFFFAOYSA-N -1 0 335.323 3.310 20 30 EGEDRM Cc1ccc(CC(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)c(Cl)c1 ZINC000832928601 602342332 /nfs/dbraw/zinc/34/23/32/602342332.db2.gz GVRRQQQYSDDCRR-KRWDZBQOSA-N -1 0 343.766 3.432 20 30 EGEDRM CCNc1ccc(C#N)cc1NC(=O)c1[nH]c(CC)c(C(=O)[O-])c1C ZINC000829808987 602388547 /nfs/dbraw/zinc/38/85/47/602388547.db2.gz MPGHGILWUJUYFH-UHFFFAOYSA-N -1 0 340.383 3.140 20 30 EGEDRM CC(C)CCN(CCC#N)c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000826848876 604462919 /nfs/dbraw/zinc/46/29/19/604462919.db2.gz IRCLOJDIYMFIQP-FNORWQNLSA-N -1 0 331.372 3.459 20 30 EGEDRM C=C(C)[C@H](CC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1)OCC ZINC000833366924 604541864 /nfs/dbraw/zinc/54/18/64/604541864.db2.gz FVKZRJWAEFRUFV-KRWDZBQOSA-N -1 0 346.427 3.295 20 30 EGEDRM COc1ccc(C#N)cc1COC(=O)c1ccc(NC(=O)[O-])cc1 ZINC000832152692 604596817 /nfs/dbraw/zinc/59/68/17/604596817.db2.gz KKHGLOSZRCZYDT-UHFFFAOYSA-N -1 0 326.308 3.014 20 30 EGEDRM C#CCN(Cc1cccc(C(=O)[O-])c1C#N)[C@@H]1CCc2ccccc21 ZINC000833364204 604604237 /nfs/dbraw/zinc/60/42/37/604604237.db2.gz GXWIHSFBXVNZHT-HXUWFJFHSA-N -1 0 330.387 3.379 20 30 EGEDRM C=CCN(Cc1ccc(OC)cc1)Cc1cccc(C(=O)[O-])c1C#N ZINC000833374440 604604276 /nfs/dbraw/zinc/60/42/76/604604276.db2.gz JOZUAQCCOOSLMZ-UHFFFAOYSA-N -1 0 336.391 3.453 20 30 EGEDRM C#CCN(Cc1ccc(F)cc1)Cc1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC000833364341 604611512 /nfs/dbraw/zinc/61/15/12/604611512.db2.gz KGZNNOMJJCGKBA-OAHLLOKOSA-N -1 0 341.382 3.313 20 30 EGEDRM C#CC[C@H](NC(=O)Nc1ccc(C(=O)[O-])cc1F)c1ccccc1 ZINC000833361257 604658417 /nfs/dbraw/zinc/65/84/17/604658417.db2.gz ZLKRTVVNMBFSOX-HNNXBMFYSA-N -1 0 326.327 3.410 20 30 EGEDRM C=CCNc1ncc(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)s1 ZINC000825691837 604741241 /nfs/dbraw/zinc/74/12/41/604741241.db2.gz AXXMHIWMPKGQBY-UHFFFAOYSA-N -1 0 345.424 3.356 20 30 EGEDRM C=C(C)Cn1c(SC/C=C(/C)C(=O)[O-])nnc1-c1ccncc1 ZINC000825647990 604749939 /nfs/dbraw/zinc/74/99/39/604749939.db2.gz YPBKORHOJDRAMP-SDQBBNPISA-N -1 0 330.413 3.039 20 30 EGEDRM C=CCOCCCC(=O)Oc1cc(Br)cc(C(=O)[O-])c1 ZINC000833375967 604819101 /nfs/dbraw/zinc/81/91/01/604819101.db2.gz PNFYWBUJEXCGKJ-UHFFFAOYSA-N -1 0 343.173 3.036 20 30 EGEDRM C=CCN1C(=O)N[C@@H](c2cccc(-c3ccccn3)c2)C(C(=O)[O-])=C1C ZINC000833377405 604943093 /nfs/dbraw/zinc/94/30/93/604943093.db2.gz VMBBDWYSZKPXGM-SFHVURJKSA-N -1 0 349.390 3.360 20 30 EGEDRM C=CCC[C@H](NC(=O)CN(C)C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000833373419 605003182 /nfs/dbraw/zinc/00/31/82/605003182.db2.gz NZIHEMDJWZSEQU-ZDUSSCGKSA-N -1 0 344.333 3.439 20 30 EGEDRM C=CCC[C@H](NS(=O)(=O)c1ccccc1C(=O)[O-])c1ccccc1 ZINC000833373470 605050386 /nfs/dbraw/zinc/05/03/86/605050386.db2.gz QETOVHUHIZGRBA-INIZCTEOSA-N -1 0 345.420 3.371 20 30 EGEDRM C=CCOc1ccccc1C(=O)Nc1nc2c(cccc2C(=O)[O-])[nH]1 ZINC000833378847 605059898 /nfs/dbraw/zinc/05/98/98/605059898.db2.gz PDBRMXGVZHZDGP-UHFFFAOYSA-N -1 0 337.335 3.078 20 30 EGEDRM CC(C)(C)OC(=O)N1CCC[C@H](CN=Nc2ccccc2C(=O)[O-])C1 ZINC000755599427 605097415 /nfs/dbraw/zinc/09/74/15/605097415.db2.gz BCJUTNGAVDHITB-CYBMUJFWSA-N -1 0 347.415 3.430 20 30 EGEDRM C[C@@H](Sc1ccccc1C(=O)N1CCC(CC#N)CC1)C(=O)[O-] ZINC000833545088 605134862 /nfs/dbraw/zinc/13/48/62/605134862.db2.gz DIYFVAVXFAEFSK-GFCCVEGCSA-N -1 0 332.425 3.018 20 30 EGEDRM C[C@@H](Oc1ccc(/C=C/C(=O)c2ccnc(Cl)c2)cc1)C(=O)[O-] ZINC000794709498 605145818 /nfs/dbraw/zinc/14/58/18/605145818.db2.gz BQQOMXDWBDAUGT-TZOMUSMUSA-N -1 0 331.755 3.483 20 30 EGEDRM C=CCN(Cc1ccccc1F)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC000833376464 605169159 /nfs/dbraw/zinc/16/91/59/605169159.db2.gz VUXKCMUCVQIEFD-UHFFFAOYSA-N -1 0 329.331 3.139 20 30 EGEDRM CCc1oc(C(=O)[O-])cc1CNc1cc(C#N)ccc1OCCOC ZINC000833680685 605336105 /nfs/dbraw/zinc/33/61/05/605336105.db2.gz MPUYEYVSDJVYSL-UHFFFAOYSA-N -1 0 344.367 3.049 20 30 EGEDRM C=CCN(CCc1ccco1)C(=O)CCc1ccccc1C(=O)[O-] ZINC000833374581 605474629 /nfs/dbraw/zinc/47/46/29/605474629.db2.gz RRHDRRUGETWEGT-UHFFFAOYSA-N -1 0 327.380 3.168 20 30 EGEDRM C[C@H]1C[C@@H](NN=Cc2ccc(-c3ccccc3C(=O)[O-])o2)CCO1 ZINC000833597026 605581617 /nfs/dbraw/zinc/58/16/17/605581617.db2.gz IQOWYCBKRMRMNV-STQMWFEESA-N -1 0 328.368 3.136 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])c(/C=N/CC2(c3ccccc3)CCOCC2)c1 ZINC000032074501 1291376126 /nfs/dbraw/zinc/37/61/26/1291376126.db2.gz SHQOJFMZLDWMBD-DEDYPNTBSA-N -1 0 340.379 3.468 20 30 EGEDRM COc1ccc(C(=O)/C=C/c2c(F)cccc2F)cc1CC(=O)[O-] ZINC000032890838 1291383512 /nfs/dbraw/zinc/38/35/12/1291383512.db2.gz BAEZCWGAZGAQCW-VOTSOKGWSA-N -1 0 332.302 3.497 20 30 EGEDRM Cc1ccsc1/C=C/C(=O)c1ccc([O-])c(CN2CCOCC2)c1 ZINC000040845464 1291412177 /nfs/dbraw/zinc/41/21/77/1291412177.db2.gz GZWKMYDXZLNUES-SNAWJCMRSA-N -1 0 343.448 3.490 20 30 EGEDRM O=C(Cc1ccc2c(c1)CCCC2)[N-]S(=O)(=O)c1ccccc1 ZINC000042232146 1291437302 /nfs/dbraw/zinc/43/73/02/1291437302.db2.gz ANGUJRCRPXCROO-UHFFFAOYSA-N -1 0 329.421 3.453 20 30 EGEDRM Cc1ccc(OCC(=O)[N-]S(=O)(=O)c2cccs2)c(C)c1 ZINC000042244931 1291438013 /nfs/dbraw/zinc/43/80/13/1291438013.db2.gz KPGQVFYSJNEIEQ-UHFFFAOYSA-N -1 0 325.411 3.089 20 30 EGEDRM O=C(COc1ccc(F)cc1Cl)[N-]S(=O)(=O)c1cccs1 ZINC000048427944 1291604113 /nfs/dbraw/zinc/60/41/13/1291604113.db2.gz ISMARSQTFHFLSS-UHFFFAOYSA-N -1 0 349.792 3.265 20 30 EGEDRM Cc1c(C(=O)[N-]S(=O)(=O)c2ccc(C)cc2)oc2c1C(=O)CCC2 ZINC000048422935 1291604241 /nfs/dbraw/zinc/60/42/41/1291604241.db2.gz WEVFZGLAWITTJI-UHFFFAOYSA-N -1 0 347.392 3.109 20 30 EGEDRM Cc1[nH]c2ccccc2c1CC(=O)[N-]S(=O)(=O)c1cccs1 ZINC000048448578 1291605885 /nfs/dbraw/zinc/60/58/85/1291605885.db2.gz PNIDYJUQEBJZHM-UHFFFAOYSA-N -1 0 334.422 3.426 20 30 EGEDRM COCc1ccccc1C(=O)[N-]S(=O)(=O)c1ccc(C)cc1C ZINC000048476834 1291606828 /nfs/dbraw/zinc/60/68/28/1291606828.db2.gz FPEADVNSIFJGTD-UHFFFAOYSA-N -1 0 333.409 3.143 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)COC2CCCCC2)c(C)c1 ZINC000048476708 1291606958 /nfs/dbraw/zinc/60/69/58/1291606958.db2.gz XVRMTMCHRTUJLF-UHFFFAOYSA-N -1 0 325.430 3.298 20 30 EGEDRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)c1cccc2c(C)c(C)[nH]c21 ZINC000048491483 1291608331 /nfs/dbraw/zinc/60/83/31/1291608331.db2.gz HYUNNAPHBXAHGB-UHFFFAOYSA-N -1 0 347.396 3.083 20 30 EGEDRM CCCCS(=O)(=O)[N-]C(=O)c1ccc(F)cc1Br ZINC000048518572 1291608622 /nfs/dbraw/zinc/60/86/22/1291608622.db2.gz KPTABVZJCBHMSQ-UHFFFAOYSA-N -1 0 338.198 3.023 20 30 EGEDRM CCCCS(=O)(=O)[N-]C(=O)c1sc(-c2ccc(C)o2)nc1C ZINC000048556080 1291611041 /nfs/dbraw/zinc/61/10/41/1291611041.db2.gz AYXHMYAEDQRHIM-UHFFFAOYSA-N -1 0 342.442 3.454 20 30 EGEDRM C[C@H](CC(=O)[N-]S(=O)(=O)c1cccc(C#N)c1)c1ccccc1 ZINC000048598082 1291612580 /nfs/dbraw/zinc/61/25/80/1291612580.db2.gz QJESUDQSMLKFHE-CYBMUJFWSA-N -1 0 328.393 3.397 20 30 EGEDRM CCc1ccccc1OCC(=O)[N-]S(=O)(=O)C1CCCCC1 ZINC000058073901 1291876907 /nfs/dbraw/zinc/87/69/07/1291876907.db2.gz ALPHTSQCZYGMBN-UHFFFAOYSA-N -1 0 325.430 3.247 20 30 EGEDRM O=C([N-]S(=O)(=O)N1CCCCC1)c1ccc(-c2ccccc2)cc1 ZINC000064619813 1292061547 /nfs/dbraw/zinc/06/15/47/1292061547.db2.gz XHYWLGKVWJMRQO-UHFFFAOYSA-N -1 0 344.436 3.389 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)Cc2cc(F)ccc2F)c(C)c1 ZINC000076758081 1292440127 /nfs/dbraw/zinc/44/01/27/1292440127.db2.gz GNSNSEYOSCYBHY-UHFFFAOYSA-N -1 0 339.363 3.470 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)C2(c3ccccc3F)CC2)cc1 ZINC000077864983 1292488912 /nfs/dbraw/zinc/48/89/12/1292488912.db2.gz VQWKUAJZUOZMAE-UHFFFAOYSA-N -1 0 344.367 3.074 20 30 EGEDRM Cn1ccc2c1cccc2C(=O)[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000077940288 1292490883 /nfs/dbraw/zinc/49/08/83/1292490883.db2.gz QSPXCKXJXNKUAQ-UHFFFAOYSA-N -1 0 332.356 3.011 20 30 EGEDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)CCC(=O)c1cccs1 ZINC000077942247 1292491202 /nfs/dbraw/zinc/49/12/02/1292491202.db2.gz DRXACRXDIKEEOX-UHFFFAOYSA-N -1 0 337.422 3.365 20 30 EGEDRM CCCCS(=O)(=O)[N-]C(=O)CCc1cccc(Br)c1 ZINC000079733112 1292573811 /nfs/dbraw/zinc/57/38/11/1292573811.db2.gz CFBKIMAMXTYSIH-UHFFFAOYSA-N -1 0 348.262 3.468 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(F)c(F)c2)c(F)c1 ZINC000080667324 1292614047 /nfs/dbraw/zinc/61/40/47/1292614047.db2.gz HQRRPRRFWDPGSG-UHFFFAOYSA-N -1 0 329.299 3.106 20 30 EGEDRM Cc1cc([N-]S(=O)(=O)c2cccc(Cl)c2C#N)cnc1Cl ZINC000085235538 1292718264 /nfs/dbraw/zinc/71/82/64/1292718264.db2.gz VXNYOHLTSHKGGB-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM CC(C)(C)n1nc(C(=O)[N-]S(=O)(=O)C2CCCC2)cc1C1CC1 ZINC000086055810 1292728724 /nfs/dbraw/zinc/72/87/24/1292728724.db2.gz QXRMYLOPYDGHNV-UHFFFAOYSA-N -1 0 339.461 3.093 20 30 EGEDRM CC(C)(C)OC(=O)[C@@H](C(=O)Nc1cc(C#N)ccc1[O-])C(C)(C)C ZINC000831271875 1292833860 /nfs/dbraw/zinc/83/38/60/1292833860.db2.gz NGJILUBOGOYPCL-CQSZACIVSA-N -1 0 332.400 3.206 20 30 EGEDRM CCCS(=O)(=O)[N-]C(=O)[C@H](Oc1cccc(Cl)c1)C(C)C ZINC000091696807 1292841502 /nfs/dbraw/zinc/84/15/02/1292841502.db2.gz RZUSSAHESGWFEO-CYBMUJFWSA-N -1 0 333.837 3.440 20 30 EGEDRM CC[C@H](NN=Cc1cc(Cl)c(C)cc1Br)C(=O)[O-] ZINC000834980857 1293184251 /nfs/dbraw/zinc/18/42/51/1293184251.db2.gz DTTQACBZUKCGAH-NSHDSACASA-N -1 0 333.613 3.198 20 30 EGEDRM Cn1nccc1[C@H]1CCCC(N=Nc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000835008609 1293186386 /nfs/dbraw/zinc/18/63/86/1293186386.db2.gz HYDOMEKHPWSTSP-NSHDSACASA-N -1 0 330.363 3.383 20 30 EGEDRM CCC(CC)Oc1ccc(C([O-])=C(C#N)C(=O)N2CCCC2)cc1 ZINC000835059117 1293194947 /nfs/dbraw/zinc/19/49/47/1293194947.db2.gz XYWUFAKSBRJARI-QGZVFWFLSA-N -1 0 328.412 3.199 20 30 EGEDRM CC(C)NC(=O)C(C#N)=C([O-])c1ccc([C@@H](C)C(F)(F)F)cc1 ZINC000835064161 1293196598 /nfs/dbraw/zinc/19/65/98/1293196598.db2.gz FAULPPPNOALWGI-MFKMUULPSA-N -1 0 326.318 3.199 20 30 EGEDRM CC(C)NC(=O)C(C#N)=C([O-])c1ccc([C@H](C)C(F)(F)F)cc1 ZINC000835064154 1293196847 /nfs/dbraw/zinc/19/68/47/1293196847.db2.gz FAULPPPNOALWGI-GWCFXTLKSA-N -1 0 326.318 3.199 20 30 EGEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc(Oc2ccccc2)cc1 ZINC000122844543 1293426564 /nfs/dbraw/zinc/42/65/64/1293426564.db2.gz IKKBGPBZBFQREH-KRWDZBQOSA-N -1 0 345.358 3.418 20 30 EGEDRM CC(C)NC(=O)C(C#N)=C([O-])c1cc(Cl)cc(C(F)(F)F)c1 ZINC000123858218 1293457437 /nfs/dbraw/zinc/45/74/37/1293457437.db2.gz IITGQKLBOINIAE-LLVKDONJSA-N -1 0 332.709 3.206 20 30 EGEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1cccc(Oc2ccccc2)c1 ZINC000124417106 1293475055 /nfs/dbraw/zinc/47/50/55/1293475055.db2.gz IVQNFKARLYXVTE-GOSISDBHSA-N -1 0 334.375 3.424 20 30 EGEDRM C=CCn1c(=O)c2ccc(C(=O)Nc3ccsc3)cc2[n-]c1=S ZINC000125168886 1293498416 /nfs/dbraw/zinc/49/84/16/1293498416.db2.gz CJDQIAAGBXFVBB-UHFFFAOYSA-N -1 0 343.433 3.185 20 30 EGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)c1ccnn1C(C)C ZINC000130116923 1293645507 /nfs/dbraw/zinc/64/55/07/1293645507.db2.gz CIYLDRUGODWJBZ-CQSZACIVSA-N -1 0 334.379 3.459 20 30 EGEDRM CNC(=O)C(C#N)=C([O-])c1cc(C)n(-c2ccc(C(C)C)cc2)c1C ZINC000133365260 1293742818 /nfs/dbraw/zinc/74/28/18/1293742818.db2.gz REUDXCFUFUAORE-GOSISDBHSA-N -1 0 337.423 3.286 20 30 EGEDRM COc1ccc(/C=C/C(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000136517938 1293816821 /nfs/dbraw/zinc/81/68/21/1293816821.db2.gz NTCKANIAZIWDKW-GORDUTHDSA-N -1 0 344.279 3.113 20 30 EGEDRM COc1ccc(/C=C\C(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1OC ZINC000148765023 1293885130 /nfs/dbraw/zinc/88/51/30/1293885130.db2.gz VFQPZDPWFQDNSA-UTCJRWHESA-N -1 0 329.308 3.214 20 30 EGEDRM C=C[C@H](C)O[N-]C(=O)C1(c2cc(F)cc(Br)c2)CC1 ZINC000846552973 1321792731 /nfs/dbraw/zinc/79/27/31/1321792731.db2.gz UGMPFSMKIUDYHX-VIFPVBQESA-N -1 0 328.181 3.242 20 30 EGEDRM C=CC[C@H](NC(=O)c1sc2cc(F)ccc2c1Cl)C(=O)[O-] ZINC000159546411 1294239647 /nfs/dbraw/zinc/23/96/47/1294239647.db2.gz PWTGIZUDTCOPPQ-VIFPVBQESA-N -1 0 327.764 3.453 20 30 EGEDRM COc1cc(/C=C/C(=O)c2ccc([O-])c(F)c2)ccc1OCC#N ZINC000170851926 1294384068 /nfs/dbraw/zinc/38/40/68/1294384068.db2.gz MXIBCBDIPXOABM-GORDUTHDSA-N -1 0 327.311 3.338 20 30 EGEDRM COc1cc(/C=C2/Cc3ccc(C)cc3C2=O)cc([N+](=O)[O-])c1[O-] ZINC000170985720 1294389400 /nfs/dbraw/zinc/38/94/00/1294389400.db2.gz DZURCHDOSMSBHV-MLPAPPSSSA-N -1 0 325.320 3.440 20 30 EGEDRM CCC[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000172018739 1294426211 /nfs/dbraw/zinc/42/62/11/1294426211.db2.gz IKNDTGGHTXKPDE-INIZCTEOSA-N -1 0 348.468 3.360 20 30 EGEDRM COC(=O)[C@H](C/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-])CC(C)C ZINC000172690622 1294442045 /nfs/dbraw/zinc/44/20/45/1294442045.db2.gz HZIGBEGHDGQVBT-MIUNIBSDSA-N -1 0 342.779 3.208 20 30 EGEDRM CCc1ccc(-c2ccc(C([O-])=C(C#N)C(=O)N3CCCC3)o2)cc1 ZINC000173937806 1294473859 /nfs/dbraw/zinc/47/38/59/1294473859.db2.gz XTUBUWJYXODQFG-MRXNPFEDSA-N -1 0 336.391 3.454 20 30 EGEDRM CC[C@@H](C)Oc1ccc(C([O-])=C(C#N)C(=O)NC2CCCC2)cc1 ZINC000175118914 1294540413 /nfs/dbraw/zinc/54/04/13/1294540413.db2.gz MBPPHKHMOSTETN-DYVFJYSZSA-N -1 0 328.412 3.245 20 30 EGEDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cccc(C#N)c2C)c1F ZINC000179026179 1294769547 /nfs/dbraw/zinc/76/95/47/1294769547.db2.gz XFZMIORKIAJMLX-UHFFFAOYSA-N -1 0 349.343 3.023 20 30 EGEDRM O=C([O-])CCOc1cccc(/C=C/C(=O)c2ccc(Cl)nc2)c1 ZINC000179413064 1294792343 /nfs/dbraw/zinc/79/23/43/1294792343.db2.gz OGLFFMJRPTUQJJ-GQCTYLIASA-N -1 0 331.755 3.485 20 30 EGEDRM O=C1c2ccc(F)cc2OCC/C1=C/c1ccc([O-])c([N+](=O)[O-])c1 ZINC000180459772 1294891063 /nfs/dbraw/zinc/89/10/63/1294891063.db2.gz CPVXRLSZQQAYHB-XFFZJAGNSA-N -1 0 329.283 3.488 20 30 EGEDRM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccccc1O[C@H](C)C#N ZINC000183125551 1295099279 /nfs/dbraw/zinc/09/92/79/1295099279.db2.gz TVMPEJCQOPOTCJ-GFCCVEGCSA-N -1 0 334.372 3.226 20 30 EGEDRM CCCc1ccc(C(=O)OCC([O-])=C(C#N)c2nc(C)cs2)s1 ZINC000869935439 1295547416 /nfs/dbraw/zinc/54/74/16/1295547416.db2.gz LKGBWXDIUSGXKZ-LBPRGKRZSA-N -1 0 348.449 3.499 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)CCCCc1nc2ccccc2s1 ZINC000191269675 1295665602 /nfs/dbraw/zinc/66/56/02/1295665602.db2.gz ZUFBQXGEXCMBFL-UHFFFAOYSA-N -1 0 332.425 3.108 20 30 EGEDRM Cc1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([O-])c1 ZINC000193047567 1295830157 /nfs/dbraw/zinc/83/01/57/1295830157.db2.gz LBTNHYJKDADBFS-QPJJXVBHSA-N -1 0 328.280 3.413 20 30 EGEDRM CNC(=O)C(C#N)=C([O-])c1sc2cc(Cl)ccc2c1Cl ZINC000193638587 1295894319 /nfs/dbraw/zinc/89/43/19/1295894319.db2.gz RUGUXDCGSOQEME-QMMMGPOBSA-N -1 0 327.192 3.277 20 30 EGEDRM COc1cc(/C=C\C(=O)c2ccc(O)cc2[O-])cc(OC)c1OC ZINC000204863284 1296091670 /nfs/dbraw/zinc/09/16/70/1296091670.db2.gz VVWYJICKNORSFC-DAXSKMNVSA-N -1 0 330.336 3.020 20 30 EGEDRM O=C([O-])CCOc1cccc(/C=C\C(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000208113645 1296097924 /nfs/dbraw/zinc/09/79/24/1296097924.db2.gz IVOMOHQYIOOMMV-FPLPWBNLSA-N -1 0 341.319 3.344 20 30 EGEDRM COc1cc(/C=C\C(=O)c2ccccc2F)ccc1OCC(=O)[O-] ZINC000211737486 1296105262 /nfs/dbraw/zinc/10/52/62/1296105262.db2.gz VZSGPYJZPVJGBM-VURMDHGXSA-N -1 0 330.311 3.194 20 30 EGEDRM COc1cc(C=NNc2ccc3ccccc3n2)cc([N+](=O)[O-])c1[O-] ZINC000254624031 1296475317 /nfs/dbraw/zinc/47/53/17/1296475317.db2.gz NFRABGWXYOSZPT-UHFFFAOYSA-N -1 0 338.323 3.303 20 30 EGEDRM C=C[C@H](CC(=O)[N-]S(=O)(=O)/C=C\c1ccccc1)c1ccccc1 ZINC000254942173 1296481333 /nfs/dbraw/zinc/48/13/33/1296481333.db2.gz HVHCCODHILYUOS-LKBMAGLMSA-N -1 0 341.432 3.463 20 30 EGEDRM CC(=O)N(c1nc(/C=C\C(=O)c2ccc(F)cc2[O-])cs1)C1CC1 ZINC000255167114 1296505500 /nfs/dbraw/zinc/50/55/00/1296505500.db2.gz MEJPZRALDBHEON-CLTKARDFSA-N -1 0 346.383 3.399 20 30 EGEDRM CN(C)C(=O)c1cccc(CC/N=C\c2cc(Cl)ccc2O)c1 ZINC000255758521 1296565717 /nfs/dbraw/zinc/56/57/17/1296565717.db2.gz ZWRDKLQMKJLUFW-NDENLUEZSA-N -1 0 330.815 3.409 20 30 EGEDRM COc1cc(/C=C\C(=O)c2ccccc2[O-])c([N+](=O)[O-])cc1OC ZINC000255866465 1296573072 /nfs/dbraw/zinc/57/30/72/1296573072.db2.gz VVJZELNNHKHHDF-FPLPWBNLSA-N -1 0 329.308 3.214 20 30 EGEDRM CC(=NNC[C@H]1CCCC1(F)F)c1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000872407552 1296941296 /nfs/dbraw/zinc/94/12/96/1296941296.db2.gz WSEAMLUHFFHBFU-TZMCWYRMSA-N -1 0 340.370 3.288 20 30 EGEDRM C#CCCCCCC(=O)N=c1nc(-c2cccnc2Cl)[n-]s1 ZINC000585125263 1298031771 /nfs/dbraw/zinc/03/17/71/1298031771.db2.gz LUYMIUWQOBTCCR-UHFFFAOYSA-N -1 0 334.832 3.198 20 30 EGEDRM COc1ccc(C(=O)/C=C\c2ccc(Cl)nc2)cc1CC(=O)[O-] ZINC000606443088 1298095892 /nfs/dbraw/zinc/09/58/92/1298095892.db2.gz UQQFOXHILIBHGR-DJWKRKHSSA-N -1 0 331.755 3.267 20 30 EGEDRM C[C@H](Oc1cccc(C(=O)/C=C/c2cc(C#N)cs2)c1)C(=O)[O-] ZINC000748440120 1299007365 /nfs/dbraw/zinc/00/73/65/1299007365.db2.gz HNMBWWYJUCBYPO-QRGHLMKCSA-N -1 0 327.361 3.368 20 30 EGEDRM Cc1nnc(N=NC(C)[C@H](C)c2nc3ccccc3s2)[n-]c1=O ZINC000748781827 1299078955 /nfs/dbraw/zinc/07/89/55/1299078955.db2.gz CBCWUROZUOIQTB-QMMMGPOBSA-N -1 0 328.401 3.087 20 30 EGEDRM CCCN1C(=O)C(=NN=Cc2cc(F)c([O-])c(F)c2)c2ccccc21 ZINC000749854231 1299287505 /nfs/dbraw/zinc/28/75/05/1299287505.db2.gz IZVMQDQURCKJIW-UHFFFAOYSA-N -1 0 343.333 3.250 20 30 EGEDRM Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C/c1ccc3c(c1)CCN3C)CC2 ZINC000751523285 1299561778 /nfs/dbraw/zinc/56/17/78/1299561778.db2.gz NDQNHKIGOKWQPK-GXDHUFHOSA-N -1 0 337.375 3.491 20 30 EGEDRM Cc1ncoc1C([O-])=C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000755604890 1300364627 /nfs/dbraw/zinc/36/46/27/1300364627.db2.gz VAOUVQOVWOUISP-NSHDSACASA-N -1 0 338.150 3.251 20 30 EGEDRM CC(C)CCn1cccc1C=Nn1c(=O)c2ccccc2[n-]c1=S ZINC000755617292 1300366141 /nfs/dbraw/zinc/36/61/41/1300366141.db2.gz JFGDEUHIQRHAHX-UHFFFAOYSA-N -1 0 340.452 3.415 20 30 EGEDRM O=C1Nc2ccc(F)cc2C1=N[N-]c1nc(C(F)(F)F)cs1 ZINC000755903685 1300412121 /nfs/dbraw/zinc/41/21/21/1300412121.db2.gz IUEYACRURQUGBC-UHFFFAOYSA-N -1 0 330.266 3.069 20 30 EGEDRM COc1ccc2c(c1)C(N=Nc1ccc(C(=O)[O-])cc1OC)CC2 ZINC000756899300 1300585126 /nfs/dbraw/zinc/58/51/26/1300585126.db2.gz VHPHYOYIXVDHCB-UHFFFAOYSA-N -1 0 326.352 3.164 20 30 EGEDRM CC(=NNc1cccc(C(F)(F)F)n1)c1cc(C(=O)[O-])ccc1O ZINC000757465398 1300671585 /nfs/dbraw/zinc/67/15/85/1300671585.db2.gz OQAYZVCKSMWEQB-UHFFFAOYSA-N -1 0 339.273 3.340 20 30 EGEDRM COc1ccc(O)c(C(=O)/C=C\c2cccc(O[C@@H](C)C(=O)[O-])c2)c1 ZINC000757466894 1300673652 /nfs/dbraw/zinc/67/36/52/1300673652.db2.gz AIWWWOYQJJTDQF-VFFGBVLKSA-N -1 0 342.347 3.149 20 30 EGEDRM COC(=O)COc1c(C)cc(/C=C\C(=O)c2ccccc2[O-])cc1C ZINC000757474392 1300675151 /nfs/dbraw/zinc/67/51/51/1300675151.db2.gz LGWPINHAVBRIIV-HJWRWDBZSA-N -1 0 340.375 3.457 20 30 EGEDRM COC(=O)[C@@H](CC(F)F)/N=C\c1cc(Cl)cc(Cl)c1[O-] ZINC000761182835 1301416129 /nfs/dbraw/zinc/41/61/29/1301416129.db2.gz URDRNTAIKSLGOU-AOLAQTBMSA-N -1 0 326.126 3.315 20 30 EGEDRM CCc1cnccc1C(=O)/C=C\c1ccc(OCCC(=O)[O-])cc1 ZINC000766771902 1302514061 /nfs/dbraw/zinc/51/40/61/1302514061.db2.gz LTSPMXAITSPYPC-YVMONPNESA-N -1 0 325.364 3.394 20 30 EGEDRM O=c1[nH]c(NN=Cc2cc(Cl)cc(F)c2[O-])nc2ccccc12 ZINC000768367986 1302888313 /nfs/dbraw/zinc/88/83/13/1302888313.db2.gz UHMHUGDHFYJYRH-UHFFFAOYSA-N -1 0 332.722 3.280 20 30 EGEDRM CC(C[C@H](C)NC(=O)OC(C)(C)C)N=Nc1ccc(C(=O)[O-])cc1 ZINC000769565963 1303142403 /nfs/dbraw/zinc/14/24/03/1303142403.db2.gz AVUJQQICBHJDHS-NSHDSACASA-N -1 0 335.404 3.476 20 30 EGEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1cc2c(cccc2Cl)s1 ZINC000770865206 1303323396 /nfs/dbraw/zinc/32/33/96/1303323396.db2.gz BRSNPXWMMWVQIN-JTQLQIEISA-N -1 0 343.795 3.494 20 30 EGEDRM CC(C)c1ccc(SCC(=O)C(C#N)=C([O-])c2nccn2C)cc1 ZINC000770872119 1303324055 /nfs/dbraw/zinc/32/40/55/1303324055.db2.gz SBVGMIZELNMMFR-HNNXBMFYSA-N -1 0 341.436 3.227 20 30 EGEDRM CCO[C@H]1CC(N=Nc2ccccc2C(=O)[O-])[C@@H]1Oc1ccccc1 ZINC000774349919 1303801406 /nfs/dbraw/zinc/80/14/06/1303801406.db2.gz MWLDLEHGKXIRFL-ROUUACIJSA-N -1 0 340.379 3.409 20 30 EGEDRM C#CCOc1ccccc1[N-]S(=O)(=O)c1cc(C)ccc1Cl ZINC000775297954 1303936068 /nfs/dbraw/zinc/93/60/68/1303936068.db2.gz FUKRVECMMJJEII-UHFFFAOYSA-N -1 0 335.812 3.461 20 30 EGEDRM C#C[C@H](C)NC(=O)c1ccsc1NC(=O)c1ccc(Cl)cc1[O-] ZINC000775380909 1303951542 /nfs/dbraw/zinc/95/15/42/1303951542.db2.gz BPILFSQSSVZPGC-VIFPVBQESA-N -1 0 348.811 3.111 20 30 EGEDRM CC(C)[C@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)CC(C)(C)C#N ZINC000776139547 1304101120 /nfs/dbraw/zinc/10/11/20/1304101120.db2.gz SLTYSKNQBNGIBV-HNNXBMFYSA-N -1 0 342.505 3.225 20 30 EGEDRM COc1cccc(OC)c1/C=C\C(=O)c1ccc(CC(=O)[O-])cc1 ZINC000776190492 1304110601 /nfs/dbraw/zinc/11/06/01/1304110601.db2.gz WSWQSCNACSCYPG-KHPPLWFESA-N -1 0 326.348 3.227 20 30 EGEDRM C[C@H](Oc1cccc(/C=C/C(=O)c2ccc(C#N)c(F)c2)c1)C(=O)[O-] ZINC000776726788 1304188267 /nfs/dbraw/zinc/18/82/67/1304188267.db2.gz NMRVZHWRCVNYEB-ZCRIDZFUSA-N -1 0 339.322 3.445 20 30 EGEDRM CC(C)[C@@H](Cc1ccccc1)NN=Cc1ccc(OCC(=O)[O-])cc1 ZINC000777447783 1304298514 /nfs/dbraw/zinc/29/85/14/1304298514.db2.gz JCQNHOYWBJZJFC-LJQANCHMSA-N -1 0 340.423 3.341 20 30 EGEDRM C#CCOc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c1 ZINC000779831897 1304612513 /nfs/dbraw/zinc/61/25/13/1304612513.db2.gz IRUHUSLZQPIJDG-UHFFFAOYSA-N -1 0 346.795 3.024 20 30 EGEDRM Cn1nc(Br)cc1/C=C/C(=O)c1ccc([O-])c(Cl)c1 ZINC000782352468 1304959653 /nfs/dbraw/zinc/95/96/53/1304959653.db2.gz SQVOVKXJYNRQHY-HWKANZROSA-N -1 0 341.592 3.438 20 30 EGEDRM Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)OCCCc1ccsc1 ZINC000782671347 1305001918 /nfs/dbraw/zinc/00/19/18/1305001918.db2.gz DAUVGBXMDQRMAM-UHFFFAOYSA-N -1 0 344.436 3.446 20 30 EGEDRM COc1cc(C=NNc2ccc(C)cc2)ccc1OCCC(=O)[O-] ZINC000783772536 1305143799 /nfs/dbraw/zinc/14/37/99/1305143799.db2.gz KVRRTROMXFNXTD-UHFFFAOYSA-N -1 0 328.368 3.303 20 30 EGEDRM COc1cc(C=NNc2ccc(Cl)nc2)ccc1OCCC(=O)[O-] ZINC000783847985 1305151972 /nfs/dbraw/zinc/15/19/72/1305151972.db2.gz AFKSSBUDKOHBON-UHFFFAOYSA-N -1 0 349.774 3.043 20 30 EGEDRM CC[C@H](C)CCCCC(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC000784929051 1305294494 /nfs/dbraw/zinc/29/44/94/1305294494.db2.gz JSANMQWZAPMUHK-AWEZNQCLSA-N -1 0 328.478 3.123 20 30 EGEDRM Cc1nc(C(C)C)ncc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000892419780 1305362516 /nfs/dbraw/zinc/36/25/16/1305362516.db2.gz HQLDLRNGYLXVBB-ZDUSSCGKSA-N -1 0 333.395 3.285 20 30 EGEDRM CCn1c(C)cc(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)c1C ZINC000786540891 1305594150 /nfs/dbraw/zinc/59/41/50/1305594150.db2.gz NGFWFRBFCMLQBO-SFHVURJKSA-N -1 0 337.423 3.072 20 30 EGEDRM C=C1CCC(C(=O)[N-]S(=O)(=O)c2csc3ccccc32)CC1 ZINC000893000433 1305648244 /nfs/dbraw/zinc/64/82/44/1305648244.db2.gz QZVPVLQMOLKIGZ-UHFFFAOYSA-N -1 0 335.450 3.453 20 30 EGEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1cnn(C(C)C)c1)c1ccccc1 ZINC000787034125 1305678965 /nfs/dbraw/zinc/67/89/65/1305678965.db2.gz JPVFARXXQVUPME-DLBZAZTESA-N -1 0 338.411 3.054 20 30 EGEDRM C=CCN1C(=O)/C(=C\c2cccc(C(=O)[O-])c2Cl)SC1=S ZINC000787169476 1305700189 /nfs/dbraw/zinc/70/01/89/1305700189.db2.gz OXFKGCTUJGLEOQ-JXMROGBWSA-N -1 0 339.825 3.425 20 30 EGEDRM O=C([O-])Cc1ccc(C(=O)/C=C\c2nccn2-c2ccccc2)cc1 ZINC000790213842 1306276452 /nfs/dbraw/zinc/27/64/52/1306276452.db2.gz CIORLFDHCNNASA-KHPPLWFESA-N -1 0 332.359 3.396 20 30 EGEDRM CC(C)N(C)c1ccc(/C=C/C(=O)c2cc([N+](=O)[O-])ccc2[O-])cn1 ZINC000790226046 1306278999 /nfs/dbraw/zinc/27/89/99/1306278999.db2.gz ZZUZBIUXLHFWPD-QPJJXVBHSA-N -1 0 341.367 3.436 20 30 EGEDRM Cc1nn(C)c(/C=C\C(=O)c2cc(F)ccc2[O-])c1Br ZINC000790600691 1306357549 /nfs/dbraw/zinc/35/75/49/1306357549.db2.gz LGINFKHAPFKDFY-XQRVVYSFSA-N -1 0 339.164 3.232 20 30 EGEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)C[C@@H](C)CC ZINC000791781766 1309063796 /nfs/dbraw/zinc/06/37/96/1309063796.db2.gz DCXCVCIQKCQLIR-GWCFXTLKSA-N -1 0 332.400 3.136 20 30 EGEDRM CC[C@H](NN=Cc1ccc(-c2nc3ccccc3s2)o1)C(=O)[O-] ZINC000793054150 1309288041 /nfs/dbraw/zinc/28/80/41/1309288041.db2.gz CTMCJSNFMQDUKZ-NSHDSACASA-N -1 0 329.381 3.343 20 30 EGEDRM CC[C@@H](NN=Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)[O-] ZINC000793054138 1309288402 /nfs/dbraw/zinc/28/84/02/1309288402.db2.gz CPXPHRUXORLUTC-CQSZACIVSA-N -1 0 348.424 3.122 20 30 EGEDRM CC(C)Oc1cc(O)ccc1[N-]S(=O)(=O)c1ccccc1CC#N ZINC000794593996 1309550326 /nfs/dbraw/zinc/55/03/26/1309550326.db2.gz HIEKDCAZJYSTFG-UHFFFAOYSA-N -1 0 346.408 3.046 20 30 EGEDRM C[C@@H](Oc1ccc(/C=C2\COc3cc(F)ccc3C2=O)cc1)C(=O)[O-] ZINC000794728423 1309585473 /nfs/dbraw/zinc/58/54/73/1309585473.db2.gz PODXXOINQMNWPM-KAQJVSAMSA-N -1 0 342.322 3.336 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1NN=C1CCOc2cc(F)ccc21 ZINC000794922595 1309621019 /nfs/dbraw/zinc/62/10/19/1309621019.db2.gz LFKZPUMRQBQLBL-UHFFFAOYSA-N -1 0 330.315 3.131 20 30 EGEDRM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1ccc(C#N)o1 ZINC000796750069 1310079800 /nfs/dbraw/zinc/07/98/00/1310079800.db2.gz ZXEUSUJWCRLKTD-HNNXBMFYSA-N -1 0 335.363 3.237 20 30 EGEDRM CCc1occc1C([O-])=C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000797561776 1310210933 /nfs/dbraw/zinc/21/09/33/1310210933.db2.gz NSYVCBMJOBMKNO-CQSZACIVSA-N -1 0 330.771 3.134 20 30 EGEDRM C=C(Br)CNC(=O)N[C@](C)(CCCCCC)C(=O)[O-] ZINC000797715928 1310235749 /nfs/dbraw/zinc/23/57/49/1310235749.db2.gz VMPJGBATGVMMEE-CYBMUJFWSA-N -1 0 335.242 3.008 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)N[C@H](C)c1oc2ccc(OC)cc2c1C ZINC000797718134 1310236930 /nfs/dbraw/zinc/23/69/30/1310236930.db2.gz AIGJWIBSZQKHCS-GFCCVEGCSA-N -1 0 346.383 3.093 20 30 EGEDRM C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)c1cc([S-])ccc1F ZINC000798718800 1310427647 /nfs/dbraw/zinc/42/76/47/1310427647.db2.gz GISGELNTISTMRU-NSHDSACASA-N -1 0 325.405 3.084 20 30 EGEDRM C[C@H](OC(=O)c1cc([S-])ccc1F)C(=O)Nc1cccc(C#N)c1 ZINC000798723969 1310430110 /nfs/dbraw/zinc/43/01/10/1310430110.db2.gz CNUUIGNZMPWPHF-JTQLQIEISA-N -1 0 344.367 3.170 20 30 EGEDRM COc1ccccc1CON=C(C)c1cccc(OCC(=O)[O-])c1 ZINC000799119579 1310489518 /nfs/dbraw/zinc/48/95/18/1310489518.db2.gz NJJZBZGFGPLUAP-UHFFFAOYSA-N -1 0 329.352 3.099 20 30 EGEDRM Cc1nc(-c2ccc(C([O-])=C(C#N)C(=O)N3CCCC3)cc2)cs1 ZINC000799599623 1310586009 /nfs/dbraw/zinc/58/60/09/1310586009.db2.gz DHWMBMAQDLDMEJ-HNNXBMFYSA-N -1 0 339.420 3.063 20 30 EGEDRM C#CCOc1ccccc1[N-]S(=O)(=O)c1cnc2ccccc2c1 ZINC000800839798 1310816764 /nfs/dbraw/zinc/81/67/64/1310816764.db2.gz PIOOJSXBWKVMNP-UHFFFAOYSA-N -1 0 338.388 3.048 20 30 EGEDRM C#CCOC(=O)c1nn(-c2ccc(Cl)cc2C(F)(F)F)cc1[O-] ZINC000801383297 1310922562 /nfs/dbraw/zinc/92/25/62/1310922562.db2.gz BOXLVYWNMZBEDA-UHFFFAOYSA-N -1 0 344.676 3.040 20 30 EGEDRM Cc1ccc(Oc2ccc(C([O-])=C(C#N)C(=O)NC(C)C)nc2)cc1 ZINC000838788623 1320816824 /nfs/dbraw/zinc/81/68/24/1320816824.db2.gz ODPKDOJGRREDAV-INIZCTEOSA-N -1 0 337.379 3.029 20 30 EGEDRM C#CCCCCCC(=O)[N-]S(=O)(=O)c1csc2ccccc21 ZINC000803027996 1317072111 /nfs/dbraw/zinc/07/21/11/1317072111.db2.gz IXMBKRBDZCYYPC-UHFFFAOYSA-N -1 0 335.450 3.290 20 30 EGEDRM N#CCOc1cccc(CC(=O)Nc2cc(Cl)c([O-])cc2F)c1 ZINC000805254862 1317334065 /nfs/dbraw/zinc/33/40/65/1317334065.db2.gz IAIIYVMLURFNBS-UHFFFAOYSA-N -1 0 334.734 3.268 20 30 EGEDRM C=CCN(CC(=O)[O-])Cc1cn(Cc2ccccc2)nc1C(C)(C)C ZINC000901586434 1317449077 /nfs/dbraw/zinc/44/90/77/1317449077.db2.gz KESCOIQCUJQINB-UHFFFAOYSA-N -1 0 341.455 3.302 20 30 EGEDRM CC(C)(C)OCc1cccc([N-]S(=O)(=O)c2ccc(C#N)nc2)c1 ZINC000901956983 1317501183 /nfs/dbraw/zinc/50/11/83/1317501183.db2.gz PJXVJGFFHLJQJM-UHFFFAOYSA-N -1 0 345.424 3.069 20 30 EGEDRM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1ocnc1C1CC1 ZINC000808980370 1317756014 /nfs/dbraw/zinc/75/60/14/1317756014.db2.gz YVFYQSBLLDOEGP-SNVBAGLBSA-N -1 0 347.733 3.306 20 30 EGEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1ocnc1C1CC1)c1ccccc1 ZINC000809003063 1317757702 /nfs/dbraw/zinc/75/77/02/1317757702.db2.gz LPOPYRNMRUTDIY-HUUCEWRRSA-N -1 0 337.379 3.142 20 30 EGEDRM COc1ccc(OC)c(C(=O)/C=C/c2ccc(O)c(C(=O)[O-])c2)c1 ZINC000809152320 1317774965 /nfs/dbraw/zinc/77/49/65/1317774965.db2.gz PQBPQMSOSSULPH-ZZXKWVIFSA-N -1 0 328.320 3.004 20 30 EGEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2ccc(C(C)C)cn2)c1 ZINC000810708398 1318047426 /nfs/dbraw/zinc/04/74/26/1318047426.db2.gz DEYOBYUNAYWMOP-QGZVFWFLSA-N -1 0 335.407 3.152 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)C2(c3ccccc3C)CCCC2)CC1 ZINC000810982253 1318085141 /nfs/dbraw/zinc/08/51/41/1318085141.db2.gz ZZYZDPXSLWZKRX-UHFFFAOYSA-N -1 0 347.480 3.362 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2csc3cc(C)ccc23)CC1 ZINC000810985580 1318086624 /nfs/dbraw/zinc/08/66/24/1318086624.db2.gz BHAXZEUYUIKKGN-UHFFFAOYSA-N -1 0 335.450 3.378 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)CCc2ccc(C)s2)n1 ZINC000811254989 1318132031 /nfs/dbraw/zinc/13/20/31/1318132031.db2.gz XOJDUPROGDBMKY-CYBMUJFWSA-N -1 0 348.449 3.174 20 30 EGEDRM COc1cc2c(cc1C=NNc1ccccc1C(=O)[O-])O[C@@H](C)C2 ZINC000812444577 1318394469 /nfs/dbraw/zinc/39/44/69/1318394469.db2.gz CDRWXRZCPSRTMQ-NSHDSACASA-N -1 0 326.352 3.163 20 30 EGEDRM Cn1ncc2ccc(C/N=C/c3cc(Cl)cc([N+](=O)[O-])c3[O-])cc21 ZINC000812445130 1318394949 /nfs/dbraw/zinc/39/49/49/1318394949.db2.gz RNVKZRRTIIROKA-QGMBQPNBSA-N -1 0 344.758 3.460 20 30 EGEDRM C=CCC(C)(C)C(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000909134133 1318442085 /nfs/dbraw/zinc/44/20/85/1318442085.db2.gz KTHNBNDVLVTJCB-UHFFFAOYSA-N -1 0 326.396 3.353 20 30 EGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)c1ncn(C(C)(C)C)n1 ZINC000813058416 1318493356 /nfs/dbraw/zinc/49/33/56/1318493356.db2.gz XPBXXVKMKHTUGG-ZDUSSCGKSA-N -1 0 349.394 3.028 20 30 EGEDRM CC(CCc1ccc(O[C@H](C)C(=O)[O-])cc1)N=Nc1ccccn1 ZINC000814732079 1318807664 /nfs/dbraw/zinc/80/76/64/1318807664.db2.gz WMFKBVHGXDSVLW-CQSZACIVSA-N -1 0 327.384 3.354 20 30 EGEDRM CC(=NNCc1ccccc1)c1cccc(OCCCC(=O)[O-])c1 ZINC000814751490 1318809801 /nfs/dbraw/zinc/80/98/01/1318809801.db2.gz MTDNJQPYHKKJSS-UHFFFAOYSA-N -1 0 326.396 3.444 20 30 EGEDRM CC(C)CCCN=Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cn1 ZINC000814800841 1318820271 /nfs/dbraw/zinc/82/02/71/1318820271.db2.gz OFIMNVXEGXDHRM-UHFFFAOYSA-N -1 0 347.444 3.111 20 30 EGEDRM C[C@@H]1C(N=Nc2ccc(C(F)(F)F)nn2)CC[C@@H](C(=O)[O-])C1(C)C ZINC000814886804 1318839525 /nfs/dbraw/zinc/83/95/25/1318839525.db2.gz CYDWTHOEGYBUEF-BDAKNGLRSA-N -1 0 344.337 3.420 20 30 EGEDRM CCC(=NNc1ccncc1)c1ccc(OCCCCC(=O)[O-])cc1 ZINC000814899577 1318842516 /nfs/dbraw/zinc/84/25/16/1318842516.db2.gz CIOULUABTDXHDF-UHFFFAOYSA-N -1 0 341.411 3.363 20 30 EGEDRM C[C@H]1CC(N=Nc2ccnc(Br)c2)CC[C@@H]1C(=O)[O-] ZINC000814904504 1318844624 /nfs/dbraw/zinc/84/46/24/1318844624.db2.gz MBHNZPMLUDNHFM-KWQFWETISA-N -1 0 326.194 3.133 20 30 EGEDRM CC(N=Nc1ncncc1Cl)c1cccc(OCCCC(=O)[O-])c1 ZINC000814909728 1318845287 /nfs/dbraw/zinc/84/52/87/1318845287.db2.gz PQDLIVAUOCNSNG-UHFFFAOYSA-N -1 0 348.790 3.210 20 30 EGEDRM CCC(N=Nc1cncnc1)c1ccc(OCCCCC(=O)[O-])cc1 ZINC000814926835 1318852289 /nfs/dbraw/zinc/85/22/89/1318852289.db2.gz MEXHUXURVWJFQZ-UHFFFAOYSA-N -1 0 342.399 3.337 20 30 EGEDRM CCCCCCCC(=O)N[C@H](Cc1ccccc1)c1n[nH]c(=O)[n-]1 ZINC000913558436 1319060098 /nfs/dbraw/zinc/06/00/98/1319060098.db2.gz OLSADQQMKGEZGH-OAHLLOKOSA-N -1 0 330.432 3.271 20 30 EGEDRM [O-]c1c(Cl)cc(Cl)cc1C=NNc1ccc(-n2cccn2)nn1 ZINC000915971692 1319575545 /nfs/dbraw/zinc/57/55/45/1319575545.db2.gz ILUQTTMEZZHWKL-UHFFFAOYSA-N -1 0 349.181 3.121 20 30 EGEDRM CCOc1cccc(/C=C/C(=O)c2cccc(OCC(=O)[O-])c2)c1 ZINC000915984119 1319578914 /nfs/dbraw/zinc/57/89/14/1319578914.db2.gz JAHICWWMJVTGLB-MDZDMXLPSA-N -1 0 326.348 3.445 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1c(Cl)c2ccccc2n1C ZINC000916878476 1319718976 /nfs/dbraw/zinc/71/89/76/1319718976.db2.gz YQQYSTGKWXHXSN-CYBMUJFWSA-N -1 0 345.830 3.461 20 30 EGEDRM CSCc1c2ccccc2oc1C([O-])=C(C#N)C(=O)NC(C)C ZINC000916945339 1319727338 /nfs/dbraw/zinc/72/73/38/1319727338.db2.gz NMKSNZFOMHZKSQ-LBPRGKRZSA-N -1 0 330.409 3.143 20 30 EGEDRM C=CCCO[N-]C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 ZINC000825555651 1320346536 /nfs/dbraw/zinc/34/65/36/1320346536.db2.gz DZKBZSIHYXALIT-CQSZACIVSA-N -1 0 332.400 3.149 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@@H]2CC[C@H](C)[C@H](C)C2)n1 ZINC000837824204 1320688786 /nfs/dbraw/zinc/68/87/86/1320688786.db2.gz IXMJZANAPKTNAJ-OIMNJJJWSA-N -1 0 334.441 3.243 20 30 EGEDRM C#CCCCS(=O)(=O)[N-]c1nnc(C(C)(C)c2ccccc2)s1 ZINC000840948425 1321184034 /nfs/dbraw/zinc/18/40/34/1321184034.db2.gz HTWDIEDXOMBXMS-UHFFFAOYSA-N -1 0 349.481 3.019 20 30 EGEDRM Cc1c(N=NCC(C)(C)NC(=O)OC(C)(C)C)cccc1C(=O)[O-] ZINC000844624672 1321626369 /nfs/dbraw/zinc/62/63/69/1321626369.db2.gz YYOCAMNPKXEYNR-UHFFFAOYSA-N -1 0 335.404 3.394 20 30 EGEDRM C=C(C)CO[N-]C(=O)C(=O)Nc1ccc2c(c1)C(C)(C)CC2(C)C ZINC000846145452 1321771458 /nfs/dbraw/zinc/77/14/58/1321771458.db2.gz DWMZVPVGOIYLRL-UHFFFAOYSA-N -1 0 330.428 3.208 20 30 EGEDRM C=C(C)CO[N-]C(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccc(C)cc1 ZINC000846533596 1321791020 /nfs/dbraw/zinc/79/10/20/1321791020.db2.gz KSXZVFRNJDNYIB-HNNXBMFYSA-N -1 0 334.416 3.185 20 30 EGEDRM CCOC(=O)[C@H]1CCC(N=Nc2ccc(CC(=O)[O-])cc2)[C@@H](C)C1 ZINC000848415344 1321958548 /nfs/dbraw/zinc/95/85/48/1321958548.db2.gz ZSISHMVYBUDJOB-JSGCOSHPSA-N -1 0 332.400 3.081 20 30 EGEDRM O=C([O-])c1ccc(/C=C2\S/C(=N\C3CCCC3)NC2=O)cc1F ZINC000849243501 1322100690 /nfs/dbraw/zinc/10/06/90/1322100690.db2.gz ULQFARIYAZOPEO-JYRVWZFOSA-N -1 0 334.372 3.026 20 30 EGEDRM O=C([O-])c1ccccc1NN=Cc1cc(Br)ccc1O ZINC000920954209 1322238277 /nfs/dbraw/zinc/23/82/77/1322238277.db2.gz ZNHJRNOMTXBKOD-UHFFFAOYSA-N -1 0 335.157 3.299 20 30 EGEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1cc2cc(Cl)ccc2s1 ZINC000850752710 1322284384 /nfs/dbraw/zinc/28/43/84/1322284384.db2.gz RRGGDGNDWCENDO-GFCCVEGCSA-N -1 0 332.812 3.500 20 30 EGEDRM Cc1cc(Br)cc(C([O-])=C(C#N)C(=O)N2CCCC2)c1C ZINC000850752132 1322284414 /nfs/dbraw/zinc/28/44/14/1322284414.db2.gz LKSVPKAMYXGKRL-CQSZACIVSA-N -1 0 349.228 3.011 20 30 EGEDRM Cc1cc(N=NC(C)CCc2ccc(OCCC(=O)[O-])cc2)ccn1 ZINC000863159444 1329530775 /nfs/dbraw/zinc/53/07/75/1329530775.db2.gz RHKODWDEMWOBBH-UHFFFAOYSA-N -1 0 341.411 3.086 20 30 EGEDRM COCCCOc1ccc(F)cc1NC(=O)CCC(=O)C1=CC=C[CH]1 ZINC001184245399 1387419611 /nfs/dbraw/zinc/41/96/11/1387419611.db2.gz PTFVPCUMJDRAKX-UHFFFAOYSA-N -1 0 346.378 3.229 20 30 EGEDRM C=C1CC(C)(C(=O)Nc2ccc3ccc(S(=O)(=O)[O-])cc3c2)C1 ZINC001184787183 1387538422 /nfs/dbraw/zinc/53/84/22/1387538422.db2.gz IBCTXORMEUTLJB-UHFFFAOYSA-N -1 0 331.393 3.381 20 30 EGEDRM Cc1cc(C#N)c([N-]S(=O)(=O)Cc2cc(F)cc(F)c2)s1 ZINC001185088728 1387616547 /nfs/dbraw/zinc/61/65/47/1387616547.db2.gz ZUTAXKOUCBFPLG-UHFFFAOYSA-N -1 0 328.365 3.148 20 30 EGEDRM N#Cc1cccc(O)c1[N-]S(=O)(=O)c1cc2ccccc2s1 ZINC001185462656 1387722044 /nfs/dbraw/zinc/72/20/44/1387722044.db2.gz JWGWRJJTKLISSZ-UHFFFAOYSA-N -1 0 330.390 3.279 20 30 EGEDRM Cc1c(F)cccc1S(=O)(=O)[N-]c1c(F)ccc(F)c1C#N ZINC001185836533 1387811440 /nfs/dbraw/zinc/81/14/40/1387811440.db2.gz KOXVJRZLUUZDNS-UHFFFAOYSA-N -1 0 326.299 3.085 20 30 EGEDRM Cc1ccc(C)c([N-]S(=O)(=O)Cc2ccc(F)c(F)c2)c1C#N ZINC001189319002 1366988437 /nfs/dbraw/zinc/98/84/37/1366988437.db2.gz KKTFGPZHGZHSNE-UHFFFAOYSA-N -1 0 336.363 3.395 20 30 EGEDRM N#Cc1cc(Cl)ccc1[N-]S(=O)(=O)Cc1cc(F)ccc1F ZINC001189688593 1367085649 /nfs/dbraw/zinc/08/56/49/1367085649.db2.gz PTVVASMNURXLFP-UHFFFAOYSA-N -1 0 342.754 3.432 20 30 EGEDRM N#C[C@H]1CCCCN1C(=O)c1cc(Br)ccc1[S-] ZINC001189950532 1367138075 /nfs/dbraw/zinc/13/80/75/1367138075.db2.gz MPHHLQXGUDNZSW-SNVBAGLBSA-N -1 0 325.231 3.256 20 30 EGEDRM Cc1cc(C#N)ccc1[N-]S(=O)(=O)c1cc(F)cc(F)c1F ZINC001190347502 1367235067 /nfs/dbraw/zinc/23/50/67/1367235067.db2.gz DTZFIQLXAKHRGW-UHFFFAOYSA-N -1 0 326.299 3.085 20 30 EGEDRM N#Cc1cc(Cl)cc([N-]S(=O)(=O)c2cc(F)cc(F)c2F)c1 ZINC001190388867 1367248623 /nfs/dbraw/zinc/24/86/23/1367248623.db2.gz BGXGKTQJSQPQKS-UHFFFAOYSA-N -1 0 346.717 3.430 20 30 EGEDRM N#Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(F)cc(F)c1F ZINC001190388877 1367248714 /nfs/dbraw/zinc/24/87/14/1367248714.db2.gz BKZLKECGIOIEQP-UHFFFAOYSA-N -1 0 346.717 3.430 20 30 EGEDRM CC(C)n1ncc(C#N)c1[N-]S(=O)(=O)c1ccc(C2CC2)cc1 ZINC001190471323 1367272258 /nfs/dbraw/zinc/27/22/58/1367272258.db2.gz CPYGIQHTJULSHH-UHFFFAOYSA-N -1 0 330.413 3.014 20 30 EGEDRM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)c(C#N)c1 ZINC001190507729 1367281030 /nfs/dbraw/zinc/28/10/30/1367281030.db2.gz WFFPZICCSSMNOJ-UHFFFAOYSA-N -1 0 340.404 3.439 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2ccccc2OC(F)F)c1 ZINC001190647587 1367315563 /nfs/dbraw/zinc/31/55/63/1367315563.db2.gz AIIRKPWIGNUWEW-UHFFFAOYSA-N -1 0 342.298 3.100 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]c2sc(C)c(C)c2C(=O)OCC)CC1 ZINC001190765796 1367345024 /nfs/dbraw/zinc/34/50/24/1367345024.db2.gz GPUDCBMAXXLZLY-UHFFFAOYSA-N -1 0 343.470 3.392 20 30 EGEDRM N#Cc1cc(Cl)cc(Cl)c1[N-]S(=O)(=O)c1ccncc1 ZINC001190888527 1367376083 /nfs/dbraw/zinc/37/60/83/1367376083.db2.gz VPGYTEUKPHJAEQ-UHFFFAOYSA-N -1 0 328.180 3.061 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)CC2CCCC2)c(OC(F)(F)F)c1 ZINC001191522769 1367521442 /nfs/dbraw/zinc/52/14/42/1367521442.db2.gz IENNYIPFUIPJEA-UHFFFAOYSA-N -1 0 348.346 3.389 20 30 EGEDRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(F)cc1C#N ZINC001191827698 1367604007 /nfs/dbraw/zinc/60/40/07/1367604007.db2.gz FNCCMPUZQZNZQC-UHFFFAOYSA-N -1 0 334.372 3.205 20 30 EGEDRM Cc1cc(Cl)ncc1S(=O)(=O)[N-]c1ccc(Cl)cc1C#N ZINC001192356662 1367761159 /nfs/dbraw/zinc/76/11/59/1367761159.db2.gz WFWOZZYUACXCEX-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM CC(C)Oc1cc([N-]S(=O)(=O)[C@H](C)C#N)cc(C(F)(F)F)c1 ZINC001193157115 1367956264 /nfs/dbraw/zinc/95/62/64/1367956264.db2.gz ATNXWJRCCFOISH-SECBINFHSA-N -1 0 336.335 3.146 20 30 EGEDRM COc1ccc(-n2cccc2)c(NC(=O)c2ccc([O-])c(C#N)c2)c1 ZINC001193505961 1368048114 /nfs/dbraw/zinc/04/81/14/1368048114.db2.gz QGLCVERNUHCWKG-UHFFFAOYSA-N -1 0 333.347 3.315 20 30 EGEDRM N#Cc1cc(C(=O)N[C@H]2CCc3[nH]c4ccccc4c3C2)ccc1[O-] ZINC001193516087 1368051384 /nfs/dbraw/zinc/05/13/84/1368051384.db2.gz YZIKRXZYBSNHIV-AWEZNQCLSA-N -1 0 331.375 3.032 20 30 EGEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cc(C3CCCC3)no2)c1 ZINC001193639750 1368081601 /nfs/dbraw/zinc/08/16/01/1368081601.db2.gz BTXYXAMIBWOIQR-UHFFFAOYSA-N -1 0 347.396 3.013 20 30 EGEDRM N#Cc1cccc(C(=O)Nc2ccc(Cl)c3nsnc32)c1[O-] ZINC001193652398 1368085785 /nfs/dbraw/zinc/08/57/85/1368085785.db2.gz HIEGLBGGERSMGW-UHFFFAOYSA-N -1 0 330.756 3.174 20 30 EGEDRM CCc1cccc(C)c1[N-]S(=O)(=O)c1cc(OC)ccc1C#N ZINC001193681395 1368092828 /nfs/dbraw/zinc/09/28/28/1368092828.db2.gz WNLRUPCUXMUFKD-UHFFFAOYSA-N -1 0 330.409 3.239 20 30 EGEDRM CCCCCCCCCCOC(=O)N[C@@H](CCC(=O)[O-])C(=O)OC ZINC001194929006 1368349445 /nfs/dbraw/zinc/34/94/45/1368349445.db2.gz LAHFHHGAVUFIPU-AWEZNQCLSA-N -1 0 345.436 3.260 20 30 EGEDRM Cc1nc([N-]S(=O)(=O)c2cccc(C(C)C)c2)c(C#N)cc1C#N ZINC001195120807 1368383057 /nfs/dbraw/zinc/38/30/57/1368383057.db2.gz WNLCPTPUOBHGAX-UHFFFAOYSA-N -1 0 340.408 3.058 20 30 EGEDRM CC(C)c1cccc(S(=O)(=O)[N-]c2ccc(C#N)cc2C#N)c1 ZINC001195169104 1368392107 /nfs/dbraw/zinc/39/21/07/1368392107.db2.gz HIACDHFGRVUZHY-UHFFFAOYSA-N -1 0 325.393 3.354 20 30 EGEDRM COc1cc(OC)c(NC(=O)c2ccc(C#N)cc2[O-])cc1Cl ZINC001195733401 1368479806 /nfs/dbraw/zinc/47/98/06/1368479806.db2.gz NUEGOVWVRPCMIH-UHFFFAOYSA-N -1 0 332.743 3.187 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2nc(Cl)cc(C)c2C#N)c(F)c1 ZINC001196357137 1368596472 /nfs/dbraw/zinc/59/64/72/1368596472.db2.gz ZXSSAFNCQCGIQY-UHFFFAOYSA-N -1 0 339.779 3.163 20 30 EGEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1c(F)cccc1C#N ZINC001196675738 1368659940 /nfs/dbraw/zinc/65/99/40/1368659940.db2.gz LUYTUUFLZBPADW-UHFFFAOYSA-N -1 0 335.747 3.023 20 30 EGEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2oncc2c1 ZINC001196680471 1368660902 /nfs/dbraw/zinc/66/09/02/1368660902.db2.gz MJPSBDGCYNFRNS-UHFFFAOYSA-N -1 0 333.756 3.154 20 30 EGEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc2c1C(=O)CC2 ZINC001196680483 1368661017 /nfs/dbraw/zinc/66/10/17/1368661017.db2.gz NCAIWDPMSFVTDU-UHFFFAOYSA-N -1 0 346.795 3.141 20 30 EGEDRM CC(C)(C)n1ncc(C(=O)Nc2cc(C#N)c(F)cc2[O-])c1Cl ZINC001196955390 1368720755 /nfs/dbraw/zinc/72/07/55/1368720755.db2.gz YMFOPMMYNLNYMS-UHFFFAOYSA-N -1 0 336.754 3.260 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)s1 ZINC001197649526 1368862801 /nfs/dbraw/zinc/86/28/01/1368862801.db2.gz PDXXGOFMHKGZOJ-UHFFFAOYSA-N -1 0 330.793 3.354 20 30 EGEDRM Cc1nc(C#N)c([N-]S(=O)(=O)Cc2cccc(Cl)c2Cl)o1 ZINC001197725618 1368882649 /nfs/dbraw/zinc/88/26/49/1368882649.db2.gz GJUVOTPRZCFJRK-UHFFFAOYSA-N -1 0 346.195 3.103 20 30 EGEDRM N#Cc1cc(NC(=O)c2cc(OCC3CCC3)ccn2)c([O-])cc1F ZINC001199535726 1369234842 /nfs/dbraw/zinc/23/48/42/1369234842.db2.gz GAAVLKRGLHPSCC-UHFFFAOYSA-N -1 0 341.342 3.229 20 30 EGEDRM COc1ccc(NC(=S)Nc2cc(C#N)ccc2[O-])cc1OC ZINC001201066747 1369474751 /nfs/dbraw/zinc/47/47/51/1369474751.db2.gz NWVTVTVMLLMGAF-UHFFFAOYSA-N -1 0 329.381 3.090 20 30 EGEDRM O=C(c1cc(F)c(F)c([O-])c1F)N1CC[C@@](CF)(C(F)(F)F)C1 ZINC001186771103 1388006698 /nfs/dbraw/zinc/00/66/98/1388006698.db2.gz PVHREKJYMDHCEO-LBPRGKRZSA-N -1 0 345.214 3.174 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2OCC2CC2)cc1C#N ZINC001201323680 1369519810 /nfs/dbraw/zinc/51/98/10/1369519810.db2.gz LKMNVTLLZANBBU-UHFFFAOYSA-N -1 0 342.420 3.456 20 30 EGEDRM C#Cc1cnc([N-]S(=O)(=O)CCCCCCCCCC)c(C#C)n1 ZINC001201834796 1369630937 /nfs/dbraw/zinc/63/09/37/1369630937.db2.gz VSXRXVGTDOSCOV-UHFFFAOYSA-N -1 0 347.484 3.322 20 30 EGEDRM C#Cc1cccnc1[N-]S(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC001187036763 1388043799 /nfs/dbraw/zinc/04/37/99/1388043799.db2.gz WXTKDYAGVMQVQW-UHFFFAOYSA-N -1 0 341.219 3.312 20 30 EGEDRM COC(=O)c1scc(C#N)c1Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001203318869 1370081451 /nfs/dbraw/zinc/08/14/51/1370081451.db2.gz KQHXOVDUVNTHPE-UHFFFAOYSA-N -1 0 338.291 3.126 20 30 EGEDRM CCOCCOc1ccc(C(=O)Nc2cc(C#N)c(F)cc2[O-])cc1 ZINC001187158799 1388061354 /nfs/dbraw/zinc/06/13/54/1388061354.db2.gz QKGLTSXTTXCTEX-UHFFFAOYSA-N -1 0 344.342 3.071 20 30 EGEDRM CCOC(=O)c1ccc(NC(=O)Nc2cc(C#N)c(F)cc2[O-])cc1 ZINC001187282840 1388087865 /nfs/dbraw/zinc/08/78/65/1388087865.db2.gz MKWJCDLMNVUIKT-UHFFFAOYSA-N -1 0 343.314 3.224 20 30 EGEDRM C=CC[C@@H](NC(=O)c1c(C)n(CCC)c2ccc(OC)cc21)C(=O)[O-] ZINC001116906967 1370998294 /nfs/dbraw/zinc/99/82/94/1370998294.db2.gz ZXOXWCZXDKXVRF-OAHLLOKOSA-N -1 0 344.411 3.127 20 30 EGEDRM N#CCc1nn(-c2ccccc2)c(Nc2cc(O)cc(F)c2)c1C#N ZINC001206798395 1371170594 /nfs/dbraw/zinc/17/05/94/1371170594.db2.gz FHHJFRCKFVQHHE-UHFFFAOYSA-N -1 0 333.326 3.398 20 30 EGEDRM COc1cc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)ccn1 ZINC001122496745 1372260981 /nfs/dbraw/zinc/26/09/81/1372260981.db2.gz PBPCRWCCZAHASD-ZDUSSCGKSA-N -1 0 336.376 3.099 20 30 EGEDRM CC(=O)c1ccc(C([O-])=C(C#N)c2nnc3n2CCCCC3)cc1C ZINC001122601766 1372282132 /nfs/dbraw/zinc/28/21/32/1372282132.db2.gz JTBWSJVFMRPLIW-INIZCTEOSA-N -1 0 336.395 3.006 20 30 EGEDRM Cc1ccc2[nH]c(C([O-])=C(C#N)C(=O)N3CCCC3)c(Cl)c2c1 ZINC001122625671 1372286602 /nfs/dbraw/zinc/28/66/02/1372286602.db2.gz UVGIINMFOHIRGL-GFCCVEGCSA-N -1 0 329.787 3.075 20 30 EGEDRM COc1ccc(C(=O)[O-])cc1Nc1cc(Br)cnc1C#N ZINC001210252915 1372305939 /nfs/dbraw/zinc/30/59/39/1372305939.db2.gz UQOBUJYPAORTNL-UHFFFAOYSA-N -1 0 348.156 3.166 20 30 EGEDRM N#Cc1cccc(F)c1[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC001187961616 1388198752 /nfs/dbraw/zinc/19/87/52/1388198752.db2.gz XGDTZYFIEADUFJ-UHFFFAOYSA-N -1 0 346.170 3.200 20 30 EGEDRM N#Cc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC001187966475 1388200537 /nfs/dbraw/zinc/20/05/37/1388200537.db2.gz CBFBTJAJDFRYKH-UHFFFAOYSA-N -1 0 346.170 3.200 20 30 EGEDRM Cc1cc(Nc2cc(C#N)c(F)cc2[O-])ccc1N1CCOCC1 ZINC001210978010 1372464822 /nfs/dbraw/zinc/46/48/22/1372464822.db2.gz WFXFTVSIJVLUOY-UHFFFAOYSA-N -1 0 327.359 3.292 20 30 EGEDRM CCCCCCCCS(=O)(=O)[N-]c1scnc1C(=O)OC ZINC001187994392 1388208103 /nfs/dbraw/zinc/20/81/03/1388208103.db2.gz KNDOXEOOBPBGKZ-UHFFFAOYSA-N -1 0 334.463 3.032 20 30 EGEDRM COC(=O)c1cc(C#N)cc(Nc2ccc(C(=O)[O-])c(F)c2F)c1 ZINC001212514701 1372717991 /nfs/dbraw/zinc/71/79/91/1372717991.db2.gz ILHZUIVOJJXZMC-UHFFFAOYSA-N -1 0 332.262 3.065 20 30 EGEDRM N#CCOc1ccccc1Nc1ccc(Cl)cc1S(=O)(=O)[O-] ZINC001212600753 1372735789 /nfs/dbraw/zinc/73/57/89/1372735789.db2.gz KJIBDLZSBPNJNW-UHFFFAOYSA-N -1 0 338.772 3.233 20 30 EGEDRM N#Cc1cc(Br)ccc1-c1noc(-c2ccncc2[O-])n1 ZINC001212721374 1372760857 /nfs/dbraw/zinc/76/08/57/1372760857.db2.gz MRFFCXCGUCMXRX-UHFFFAOYSA-N -1 0 343.140 3.138 20 30 EGEDRM N#C[C@H]1CC=C(Nc2c(O)cc(S(=O)(=O)[O-])c3ccccc32)CC1 ZINC001212862900 1372787308 /nfs/dbraw/zinc/78/73/08/1372787308.db2.gz VTPKVJQJRJJYTI-NSHDSACASA-N -1 0 344.392 3.412 20 30 EGEDRM N#Cc1cc(Nc2cc(F)c(N3CCOCC3)c(F)c2)c([O-])cc1F ZINC001212923506 1372797144 /nfs/dbraw/zinc/79/71/44/1372797144.db2.gz VGNYGMWFOSXCEJ-UHFFFAOYSA-N -1 0 349.312 3.261 20 30 EGEDRM C#Cc1ccc(Nc2ccc(NC(=O)CCC(=O)[O-])cc2)cc1F ZINC001213198977 1372857988 /nfs/dbraw/zinc/85/79/88/1372857988.db2.gz SBGOSUOOEYAISF-UHFFFAOYSA-N -1 0 326.327 3.354 20 30 EGEDRM CCOc1ccc(C(=O)[O-])cc1Nc1ccc(NC(C)=O)c(C#N)c1 ZINC001214274668 1373035982 /nfs/dbraw/zinc/03/59/82/1373035982.db2.gz BYVBQVPNAALNCK-UHFFFAOYSA-N -1 0 339.351 3.357 20 30 EGEDRM Nc1ccccc1C(=Nc1c(Cl)cc(C(=O)[O-])cc1Cl)NO ZINC001214516917 1373072347 /nfs/dbraw/zinc/07/23/47/1373072347.db2.gz HZFKUCXHGRPFPC-UHFFFAOYSA-N -1 0 340.166 3.331 20 30 EGEDRM N#Cc1ccc(Br)c(Nc2cc(C(=O)[O-])cnc2F)c1 ZINC001215136063 1373176359 /nfs/dbraw/zinc/17/63/59/1373176359.db2.gz WKSQZGYSGCOTAH-UHFFFAOYSA-N -1 0 336.120 3.297 20 30 EGEDRM N#Cc1c([O-])csc1Nc1ccc(CN2CCOCC2)c(F)c1 ZINC001215541637 1373210119 /nfs/dbraw/zinc/21/01/19/1373210119.db2.gz RXQCQWJBSKWRSJ-UHFFFAOYSA-N -1 0 333.388 3.040 20 30 EGEDRM COC(=O)c1cc(Nc2c(F)cc(C(=O)[O-])cc2F)ccc1C#N ZINC001215614716 1373218230 /nfs/dbraw/zinc/21/82/30/1373218230.db2.gz RZTFDOMATXIKIF-UHFFFAOYSA-N -1 0 332.262 3.065 20 30 EGEDRM N#Cc1cc(F)cc(-c2noc(-c3ccc([O-])cc3[N+](=O)[O-])n2)c1 ZINC001216891058 1373359375 /nfs/dbraw/zinc/35/93/75/1373359375.db2.gz NBQIOXPWXJXUOJ-UHFFFAOYSA-N -1 0 326.243 3.028 20 30 EGEDRM N#Cc1cccc(-c2nc(-c3cc(C(F)(F)F)ccn3)no2)c1[O-] ZINC001216979904 1373375043 /nfs/dbraw/zinc/37/50/43/1373375043.db2.gz LVCXCHLUISDYJH-UHFFFAOYSA-N -1 0 332.241 3.395 20 30 EGEDRM N#Cc1cc(F)cc(-c2noc(-c3cc4ccc([O-])cc4oc3=O)n2)c1 ZINC001217438705 1373444553 /nfs/dbraw/zinc/44/45/53/1373444553.db2.gz PZZOSAIEBWVFOK-UHFFFAOYSA-N -1 0 349.277 3.226 20 30 EGEDRM Cc1cc(C)c(-c2noc(-c3cc(=O)c4cc(C#N)ccc4[n-]3)n2)cn1 ZINC001217502082 1373455817 /nfs/dbraw/zinc/45/58/17/1373455817.db2.gz FLYDEZKHHSUXCS-UHFFFAOYSA-N -1 0 343.346 3.129 20 30 EGEDRM Cc1ccc(-c2noc(-c3cc(=O)c4cc(C#N)ccc4[n-]3)n2)cc1 ZINC001217502520 1373456165 /nfs/dbraw/zinc/45/61/65/1373456165.db2.gz MOYSZMHAPUWOQU-UHFFFAOYSA-N -1 0 328.331 3.425 20 30 EGEDRM C=C[C@@]1(C)CC[C@@H](C(C)(C)Oc2nc(C(F)(F)F)cc(=O)[n-]2)O1 ZINC001225980926 1375183057 /nfs/dbraw/zinc/18/30/57/1375183057.db2.gz RWFXIULHRDWLJO-HZMBPMFUSA-N -1 0 332.322 3.482 20 30 EGEDRM C=C[C@H](CC(=O)OC(C)(C)C)Oc1[n-]c(=O)nc2ccc(F)cc21 ZINC001226409817 1375255565 /nfs/dbraw/zinc/25/55/65/1375255565.db2.gz WBELXMDVWIFPNN-LLVKDONJSA-N -1 0 334.347 3.140 20 30 EGEDRM CC#CC[C@H](CC)Oc1cc2cc(S(=O)(=O)[O-])ccc2cc1O ZINC001227639537 1375458615 /nfs/dbraw/zinc/45/86/15/1375458615.db2.gz IQRSONIVHANAGT-AWEZNQCLSA-N -1 0 334.393 3.363 20 30 EGEDRM COc1cc(/C=N/O)ccc1O[C@H]1C=CCN(C(=O)OC(C)(C)C)C1 ZINC001233802523 1376719564 /nfs/dbraw/zinc/71/95/64/1376719564.db2.gz HCSYIBACEXZGQP-YRIIZNAFSA-N -1 0 348.399 3.058 20 30 EGEDRM Cc1cc(=O)oc2c1ccc([O-])c2CN(CC#N)Cc1ccccc1 ZINC001139130729 1377834428 /nfs/dbraw/zinc/83/44/28/1377834428.db2.gz IERKZLWPTJMDOA-UHFFFAOYSA-N -1 0 334.375 3.333 20 30 EGEDRM C#CCCC1(CCNC(=O)c2cc(Cl)cc(Cl)c2[O-])N=N1 ZINC001148813600 1379274496 /nfs/dbraw/zinc/27/44/96/1379274496.db2.gz DCPFAQFECUPWSJ-UHFFFAOYSA-N -1 0 326.183 3.394 20 30 EGEDRM COc1ccc2c(c1)[n-]c(C(=O)Nc1ccc([C@@H](C)C#N)cc1)cc2=O ZINC001154118690 1380212317 /nfs/dbraw/zinc/21/23/17/1380212317.db2.gz SOAJBNKAQKKSBF-LBPRGKRZSA-N -1 0 347.374 3.416 20 30 EGEDRM COc1ccc2ncc([O-])c(C(=O)Nc3[nH]c(C)c(C)c3C#N)c2c1 ZINC001154507163 1380293628 /nfs/dbraw/zinc/29/36/28/1380293628.db2.gz MZFZVASZIHUMDP-UHFFFAOYSA-N -1 0 336.351 3.018 20 30 EGEDRM COc1cc(C)c(NC(=O)c2cc(=O)c3cc(C#N)ccc3[n-]2)cc1C ZINC001154558133 1380305576 /nfs/dbraw/zinc/30/55/76/1380305576.db2.gz YXOXYQLYGGUCCE-UHFFFAOYSA-N -1 0 347.374 3.278 20 30 EGEDRM C=CC[C@H](NC(=O)NC1CCC(c2ccc(F)cc2)CC1)C(=O)[O-] ZINC001328169613 1388684711 /nfs/dbraw/zinc/68/47/11/1388684711.db2.gz LRYIKIVBAOVKPJ-BCLQGDPASA-N -1 0 334.391 3.180 20 30 EGEDRM CSc1nc(Cl)c(/C=N/[O-])c(N[C@@](C)(C#N)CC(C)C)n1 ZINC001162516860 1382779327 /nfs/dbraw/zinc/77/93/27/1382779327.db2.gz OASCKDYEDKWSIV-JWYAVWBNSA-N -1 0 327.841 3.400 20 30 EGEDRM CC(C)c1ccc(C2(C(=O)Nc3nc(C#N)c(C#N)[n-]3)CCC2)cc1 ZINC001300043870 1383640779 /nfs/dbraw/zinc/64/07/79/1383640779.db2.gz ABHTVXUJCQPFGX-UHFFFAOYSA-N -1 0 333.395 3.337 20 30 EGEDRM C#Cc1nc(Br)cnc1Nc1cccc(/C=C/C(=O)[O-])c1 ZINC001174494959 1385113699 /nfs/dbraw/zinc/11/36/99/1385113699.db2.gz LAYQZPCZMLZHDT-VOTSOKGWSA-N -1 0 344.168 3.062 20 30 EGEDRM CCOC(=O)c1c(C)oc(Nc2cccc(/C=C/C(=O)[O-])c2)c1C#N ZINC001174496002 1385113873 /nfs/dbraw/zinc/11/38/73/1385113873.db2.gz ZXKJGFSMEITJAW-BQYQJAHWSA-N -1 0 340.335 3.478 20 30 EGEDRM CC(C)(C)c1ccc(N=NCc2cccc(OCCC(=O)[O-])c2)nn1 ZINC001318626554 1385802442 /nfs/dbraw/zinc/80/24/42/1385802442.db2.gz SIHUKJMESQQMSV-UHFFFAOYSA-N -1 0 342.399 3.074 20 30 EGEDRM C[C@H](C#N)c1ccc(NC(=O)CSc2n[n-]c(=S)s2)cc1 ZINC001177344430 1385922165 /nfs/dbraw/zinc/92/21/65/1385922165.db2.gz YIQKTKQGOKCGNI-MRVPVSSYSA-N -1 0 336.467 3.185 20 30 EGEDRM C=CC[C@@H](NC(=O)CSc1n[n-]c(=S)s1)c1ccccc1 ZINC001177347186 1385923510 /nfs/dbraw/zinc/92/35/10/1385923510.db2.gz OTGKAGNVAHSWRR-LLVKDONJSA-N -1 0 337.495 3.353 20 30 EGEDRM CCCCC[C@@H](C(=O)[N-]S(=O)(=O)c1ccccc1C#N)C(C)C ZINC001319063268 1385950005 /nfs/dbraw/zinc/95/00/05/1385950005.db2.gz WFDIBJPZFYYJIZ-OAHLLOKOSA-N -1 0 336.457 3.216 20 30 EGEDRM N#Cc1ccc(N2CCN(Cc3ccc(F)c(F)c3[O-])CC2)c(F)c1 ZINC001180178348 1386722164 /nfs/dbraw/zinc/72/21/64/1386722164.db2.gz UUESBGLKXMVZCX-UHFFFAOYSA-N -1 0 347.340 3.003 20 30 EGEDRM C=CC[C@H](NC(=O)Nc1ccc2oc(C(C)(C)C)nc2c1)C(=O)[O-] ZINC001321583444 1386934548 /nfs/dbraw/zinc/93/45/48/1386934548.db2.gz QVMYACMCQJZSLE-NSHDSACASA-N -1 0 331.372 3.276 20 30 EGEDRM C=CC[C@@H](NC(=O)NCC1(Cc2ccccc2)CCCC1)C(=O)[O-] ZINC001322515034 1387198750 /nfs/dbraw/zinc/19/87/50/1387198750.db2.gz ZMJJZDGQLDSLFI-MRXNPFEDSA-N -1 0 330.428 3.118 20 30 EGEDRM C=CC[C@H](NC(=O)[C@H](C)Cc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC001322603055 1387212402 /nfs/dbraw/zinc/21/24/02/1387212402.db2.gz VSGIEEXXFJUAHW-MFKMUULPSA-N -1 0 329.318 3.030 20 30 EGEDRM C=CC[C@@H](NC(=O)[C@H](CC)c1ccc(Br)cc1)C(=O)[O-] ZINC001329215010 1389024292 /nfs/dbraw/zinc/02/42/92/1389024292.db2.gz MDYULBDAMWEVCP-CHWSQXEVSA-N -1 0 340.217 3.088 20 30 EGEDRM C=CCC[C@@H]1CCCN1c1nnc(-c2ccc([O-])c([N+](=O)[O-])c2)n1C ZINC001338408317 1389676888 /nfs/dbraw/zinc/67/68/88/1389676888.db2.gz XQOMTCAILFWUDD-CYBMUJFWSA-N -1 0 343.387 3.031 20 30 EGEDRM C=CC(C)(C)CC(=O)[N-]S(=O)(=O)Cc1c(F)cccc1Cl ZINC001331467899 1389759615 /nfs/dbraw/zinc/75/96/15/1389759615.db2.gz AOYCOMPNNYKUAU-UHFFFAOYSA-N -1 0 333.812 3.027 20 30 EGEDRM N#CCC[C@H](NC(=O)N1CCCC[C@H]1CCC(=O)[O-])c1ccccc1 ZINC001339854506 1390176243 /nfs/dbraw/zinc/17/62/43/1390176243.db2.gz GNULRHKADPFOKC-IRXDYDNUSA-N -1 0 343.427 3.460 20 30 EGEDRM CC(C)c1cc(C([O-])=C(C#N)c2nccn2C)nn1-c1ccccc1 ZINC001342268731 1390593920 /nfs/dbraw/zinc/59/39/20/1390593920.db2.gz QBCRWVXGTZBZEG-OAHLLOKOSA-N -1 0 333.395 3.219 20 30 EGEDRM C=CC[C@H](NC(=O)[C@H](C)Cc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC001344551795 1390799168 /nfs/dbraw/zinc/79/91/68/1390799168.db2.gz GEKGMTOCBXKTBD-RNCFNFMXSA-N -1 0 330.211 3.318 20 30 EGEDRM Cc1coc(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)c1C ZINC001344800749 1390815620 /nfs/dbraw/zinc/81/56/20/1390815620.db2.gz GXSBZIXZIFHLAP-CQSZACIVSA-N -1 0 330.771 3.189 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)c2cccc(C(=O)N3CCCCC3)c2)c1 ZINC001347082695 1390999034 /nfs/dbraw/zinc/99/90/34/1390999034.db2.gz UIDASTPFNWLTBL-UHFFFAOYSA-N -1 0 349.390 3.142 20 30 EGEDRM N#Cc1ccc(F)cc1CN(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000822829843 1428649901 /nfs/dbraw/zinc/64/99/01/1428649901.db2.gz LOWKXKATRRVPDZ-UHFFFAOYSA-N -1 0 348.385 3.042 20 30 EGEDRM Clc1ccc(C#CCSc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000822574105 1429049607 /nfs/dbraw/zinc/04/96/07/1429049607.db2.gz OGOXABHEPYAIKR-UHFFFAOYSA-N -1 0 327.800 3.059 20 30 EGEDRM O=C(C=Cc1cncc2ccccc12)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826403344 1423570435 /nfs/dbraw/zinc/57/04/35/1423570435.db2.gz PQRLNKGNKPSYRO-SOFGYWHQSA-N -1 0 345.337 3.450 20 30 EGEDRM Cc1ccc(F)cc1C=CC(=O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826290012 1423863295 /nfs/dbraw/zinc/86/32/95/1423863295.db2.gz WIPVQMJAXJPFQT-QPJJXVBHSA-N -1 0 326.306 3.349 20 30 EGEDRM O=C(C=Cc1cc(F)c(F)cc1F)c1ccc(-c2nn[n-]n2)cc1F ZINC000826400352 1424888035 /nfs/dbraw/zinc/88/80/35/1424888035.db2.gz WOJSDGGAZIBWHI-RQOWECAXSA-N -1 0 348.259 3.319 20 30 EGEDRM Cc1ccc(C)c(NN=Cc2c[nH]c3ccc(-c4nn[n-]n4)cc23)c1 ZINC000822231873 1425045160 /nfs/dbraw/zinc/04/51/60/1425045160.db2.gz KMKMBZZWWRWJIB-UHFFFAOYSA-N -1 0 331.383 3.411 20 30 EGEDRM C[C@H]1c2c(c(O)ccc2F)C(=O)C1=Cc1ccc(-c2nn[n-]n2)s1 ZINC000820642380 1425703598 /nfs/dbraw/zinc/70/35/98/1425703598.db2.gz IFFAUICIUHLRQY-WRDFDADTSA-N -1 0 342.355 3.156 20 30 EGEDRM O=C(C=Cc1coc(-c2ccccc2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737808444 1426194190 /nfs/dbraw/zinc/19/41/90/1426194190.db2.gz TXQLRPZZPOWCFZ-ZHACJKMWSA-N -1 0 343.346 3.418 20 30 EGEDRM C[C@@H](Nc1nc2ccccc2cc1-c1nn[n-]n1)c1ccc(C#N)cc1 ZINC000820462496 1426571436 /nfs/dbraw/zinc/57/14/36/1426571436.db2.gz YABYOAUTMXPJQE-GFCCVEGCSA-N -1 0 341.378 3.460 20 30 EGEDRM O=C1c2cc(Cl)ccc2OCC1=Cc1cccc(-c2nn[n-]n2)c1 ZINC000826475456 1427409806 /nfs/dbraw/zinc/40/98/06/1427409806.db2.gz GOWMMBSECDRKJH-KPKJPENVSA-N -1 0 338.754 3.179 20 30 EGEDRM Fc1ccc(F)c(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000826374669 1429899304 /nfs/dbraw/zinc/89/93/04/1429899304.db2.gz ITDRFWTUDIRFNV-UHFFFAOYSA-N -1 0 334.717 3.244 20 30 EGEDRM COc1ccc(Cl)cc1C(=O)C=Cc1ccc(-c2nn[n-]n2)s1 ZINC000821823698 1441528029 /nfs/dbraw/zinc/52/80/29/1441528029.db2.gz AOMDYYBZBSWVNT-HYXAFXHYSA-N -1 0 346.799 3.486 20 30 EGEDRM Cc1cccc(C)c1CN=Nc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000826296807 1442168047 /nfs/dbraw/zinc/16/80/47/1442168047.db2.gz JPENACHUBRPSIE-UHFFFAOYSA-N -1 0 325.376 3.041 20 30 EGEDRM C[C@@H](Nc1ccccc1O[C@@H](C)C#N)c1cccc(-c2nn[n-]n2)c1 ZINC000824035260 1442440809 /nfs/dbraw/zinc/44/08/09/1442440809.db2.gz VGQOSLUXEFTWEY-QWHCGFSZSA-N -1 0 334.383 3.331 20 30 EGEDRM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccc(Cl)cc1 ZINC000823953447 1443542193 /nfs/dbraw/zinc/54/21/93/1443542193.db2.gz AINVLKUTCYLTCB-UHFFFAOYSA-N -1 0 348.197 3.405 20 30 EGEDRM N#Cc1ccc(OCc2ccc(F)c(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000822833490 1443823340 /nfs/dbraw/zinc/82/33/40/1443823340.db2.gz QPBNLPCKSWJEHD-UHFFFAOYSA-N -1 0 329.722 3.110 20 30 EGEDRM CC(=NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1sc(C)nc1C ZINC000823958852 1446110104 /nfs/dbraw/zinc/11/01/04/1446110104.db2.gz ZCVIZAZMQGDLCX-UHFFFAOYSA-N -1 0 347.835 3.430 20 30 EGEDRM Cc1ccc(-c2nc(C=NNc3ccc(-c4nn[n-]n4)cc3)co2)cc1 ZINC000826273551 1446546862 /nfs/dbraw/zinc/54/68/62/1446546862.db2.gz IYWJGMAVKZXNBS-UHFFFAOYSA-N -1 0 345.366 3.276 20 30 EGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1CCC[C@@H](C)C1 ZINC000735418402 1447141736 /nfs/dbraw/zinc/14/17/36/1447141736.db2.gz CYULZAFDDXACPC-RHSMWYFYSA-N -1 0 339.443 3.208 20 30 EGEDRM C=CC[C@H](NC(=O)N[C@H](C(=O)[O-])C1CCCCC1)c1ccncc1 ZINC000780578845 939138243 /nfs/dbraw/zinc/13/82/43/939138243.db2.gz ZOUVBLJLIYHOBG-HOTGVXAUSA-N -1 0 331.416 3.032 20 30 EGEDRM C=CC1(CC(=O)N[C@H](C(=O)[O-])[C@@H]2CCC[C@H](OC)C2)CCCCC1 ZINC000907695510 939300985 /nfs/dbraw/zinc/30/09/85/939300985.db2.gz GGDYQOXXFGKNIS-VYDXJSESSA-N -1 0 337.460 3.288 20 30 EGEDRM C#CCCCNC(=O)N[C@@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000909028672 939371635 /nfs/dbraw/zinc/37/16/35/939371635.db2.gz USNNXISOSWHXHV-OAHLLOKOSA-N -1 0 343.210 3.006 20 30 EGEDRM C=CC[C@@H](Cc1ccccc1)NC(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC001602718107 971372323 /nfs/dbraw/zinc/37/23/23/971372323.db2.gz DPCYZDAVBRUCTQ-SJORKVTESA-N -1 0 332.444 3.220 20 30 EGEDRM C=CCCO[C@H](C)C(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](C)C2 ZINC001602721953 971384879 /nfs/dbraw/zinc/38/48/79/971384879.db2.gz JUXXZXMZCJRREG-GHMZBOCLSA-N -1 0 337.441 3.491 20 30 EGEDRM C=C(C)CN(C)C(=O)Nc1cc(C(=O)[O-])c(Br)cc1C ZINC000380478014 971701761 /nfs/dbraw/zinc/70/17/61/971701761.db2.gz KITFHDPZNQEZTE-UHFFFAOYSA-N -1 0 341.205 3.496 20 30 EGEDRM CCc1c(C)sc(NC(=O)c2ccc(OCC(=O)[O-])cc2)c1C#N ZINC001593627424 953562802 /nfs/dbraw/zinc/56/28/02/953562802.db2.gz MGLRRILPYHNUIX-UHFFFAOYSA-N -1 0 344.392 3.206 20 30 EGEDRM C[C@H]1CCc2c(sc(NC(=O)c3coc(C#N)c3)c2C(=O)[O-])C1 ZINC001589364344 954176968 /nfs/dbraw/zinc/17/69/68/954176968.db2.gz REQONQKKQQTPOX-QMMMGPOBSA-N -1 0 330.365 3.288 20 30 EGEDRM Cc1cc(NC(=O)C(C)(C)Oc2ccc(C#N)cc2)ccc1C(=O)[O-] ZINC000832892938 955553046 /nfs/dbraw/zinc/55/30/46/955553046.db2.gz IFFKUQRDGIZZPG-UHFFFAOYSA-N -1 0 338.363 3.361 20 30 EGEDRM N#CCCC[C@@H](NC(=O)Nc1cc(C(=O)[O-])ccn1)c1ccccc1 ZINC001594609017 956189082 /nfs/dbraw/zinc/18/90/82/956189082.db2.gz JDMIHSHCGNUNHD-OAHLLOKOSA-N -1 0 338.367 3.336 20 30 EGEDRM N#Cc1ccc(C2(C(=O)NC3(C(=O)[O-])CCCCC3)CCCC2)cc1 ZINC001594618435 956264668 /nfs/dbraw/zinc/26/46/68/956264668.db2.gz OIXZEOVBSWOKDH-UHFFFAOYSA-N -1 0 340.423 3.274 20 30 EGEDRM N#Cc1ccccc1OCC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001594632258 956351454 /nfs/dbraw/zinc/35/14/54/956351454.db2.gz UBZBAXPSKJOTMM-UHFFFAOYSA-N -1 0 348.717 3.066 20 30 EGEDRM C[C@H](NC(=O)C(C)(C)c1ccc(C#N)cc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000902028975 956619346 /nfs/dbraw/zinc/61/93/46/956619346.db2.gz HDYIYKFUVRLYTQ-VBNZEHGJSA-N -1 0 342.439 3.087 20 30 EGEDRM C#CCC1(C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)CCCCC1 ZINC000909624186 957031785 /nfs/dbraw/zinc/03/17/85/957031785.db2.gz LDRSGKQIFZMHQF-ZWKOTPCHSA-N -1 0 339.435 3.287 20 30 EGEDRM Cc1cc(C#N)cc(NC(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)c1 ZINC001594273915 957698860 /nfs/dbraw/zinc/69/88/60/957698860.db2.gz HKRXFNOCAIIBKC-DLBZAZTESA-N -1 0 335.363 3.301 20 30 EGEDRM COc1cc([C@@H](C)NC(=O)[C@](C)(C#N)CC(=O)[O-])cc2ccccc21 ZINC001594052564 958002639 /nfs/dbraw/zinc/00/26/39/958002639.db2.gz NSOGOSZLRHSDIK-BLVKFPJESA-N -1 0 340.379 3.030 20 30 EGEDRM Cc1cc(NC2(CC(=O)[O-])CCC2)n2c3ccccc3nc2c1C#N ZINC001594325834 958171526 /nfs/dbraw/zinc/17/15/26/958171526.db2.gz MPMIWQFYQRXULC-UHFFFAOYSA-N -1 0 334.379 3.477 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)c1ccc2c(c1)C(C)(C)CCC2(C)C ZINC001588418698 958183840 /nfs/dbraw/zinc/18/38/40/958183840.db2.gz DNKPLOISHBDUTP-UHFFFAOYSA-N -1 0 327.424 3.196 20 30 EGEDRM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C(CC)(CC)C(=O)[O-] ZINC001588439546 958319121 /nfs/dbraw/zinc/31/91/21/958319121.db2.gz DCJKOQONJLEPKN-UHFFFAOYSA-N -1 0 335.448 3.260 20 30 EGEDRM C=CCn1c(SCCCC(=O)[O-])nnc1-c1ccccc1OC ZINC001588474055 958553924 /nfs/dbraw/zinc/55/39/24/958553924.db2.gz BVFWMKINULLAQX-UHFFFAOYSA-N -1 0 333.413 3.097 20 30 EGEDRM C=C[C@@H]1OCC[C@H]1C(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](CC)C2 ZINC001588478251 958561662 /nfs/dbraw/zinc/56/16/62/958561662.db2.gz AIOXERMRABPTSI-WZRBSPASSA-N -1 0 349.452 3.491 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCC[C@H](c2ccccc2)CC1 ZINC001588538958 958948136 /nfs/dbraw/zinc/94/81/36/958948136.db2.gz RSHGEGHAEJOCQP-TXPKVOOTSA-N -1 0 328.412 3.224 20 30 EGEDRM C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC001588545403 958996476 /nfs/dbraw/zinc/99/64/76/958996476.db2.gz SPGLCKQLMQFDNE-UONOGXRCSA-N -1 0 345.399 3.229 20 30 EGEDRM CC(C)c1ccc2c(c1)[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])CCC2 ZINC001573567074 959294607 /nfs/dbraw/zinc/29/46/07/959294607.db2.gz RXTZKWJKMXXMNU-QFBILLFUSA-N -1 0 328.412 3.308 20 30 EGEDRM C[C@H](C(=O)[O-])N(C(=O)c1ccc(C#Cc2ccccc2)cc1)C1CC1 ZINC001588589603 959334625 /nfs/dbraw/zinc/33/46/25/959334625.db2.gz OZRBNHFRWHPHEG-OAHLLOKOSA-N -1 0 333.387 3.164 20 30 EGEDRM Cc1c2cc(C#N)ccc2sc1C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001594255750 959644861 /nfs/dbraw/zinc/64/48/61/959644861.db2.gz KYDLPKYWTVSJJJ-GXFFZTMASA-N -1 0 342.420 3.264 20 30 EGEDRM Cc1ccc(CN(CC(C)C)C(=O)[C@@](C)(C#N)CC(=O)[O-])c(C)c1 ZINC001574366428 961037363 /nfs/dbraw/zinc/03/73/63/961037363.db2.gz FDGOCKZXEGLFHQ-LJQANCHMSA-N -1 0 330.428 3.293 20 30 EGEDRM CCCCCCCC[C@H](C)CC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001573841764 961089037 /nfs/dbraw/zinc/08/90/37/961089037.db2.gz ZVOUUJWPIRBLKZ-BXWFABGCSA-N -1 0 339.476 3.323 20 30 EGEDRM CC(C)[C@H]1CCc2c(C#N)c(NC(=O)[C@@H]3CC[C@H]3C(=O)[O-])sc2C1 ZINC001588840496 961789204 /nfs/dbraw/zinc/78/92/04/961789204.db2.gz JJIIZVZGPMCKOV-CYZMBNFOSA-N -1 0 346.452 3.430 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC001573338049 962871843 /nfs/dbraw/zinc/87/18/43/962871843.db2.gz WFZSWCYXJIEQPA-UHFFFAOYSA-N -1 0 325.368 3.109 20 30 EGEDRM C=CC(C)(C)CCCNS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC001573346571 962940420 /nfs/dbraw/zinc/94/04/20/962940420.db2.gz COHJMUJSWJPZFV-DHZHZOJOSA-N -1 0 337.441 3.055 20 30 EGEDRM C=CCN(CC1CCCCC1)C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001573360648 963041427 /nfs/dbraw/zinc/04/14/27/963041427.db2.gz TZLRUHSSRCNDMD-TWMKSMIVSA-N -1 0 334.460 3.264 20 30 EGEDRM C#CCCCCCC(=O)N1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)[O-])C1 ZINC001588440918 964047504 /nfs/dbraw/zinc/04/75/04/964047504.db2.gz YKUIXVTWAGQYAB-JKSUJKDBSA-N -1 0 349.377 3.175 20 30 EGEDRM C[C@H](C(=O)[O-])C(=O)Nc1ccc(Sc2ccccc2C#N)cc1 ZINC001573591137 969821115 /nfs/dbraw/zinc/82/11/15/969821115.db2.gz SCKPAPBZTOCMEY-NSHDSACASA-N -1 0 326.377 3.369 20 30 EGEDRM CCC(C)(C)OCc1ccccc1NC(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC001610120682 970676379 /nfs/dbraw/zinc/67/63/79/970676379.db2.gz KNQLRGYFNOKKKO-GOSISDBHSA-N -1 0 332.400 3.335 20 30 EGEDRM Cc1c2cc(C#N)ccc2sc1C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC001605074669 972702843 /nfs/dbraw/zinc/70/28/43/972702843.db2.gz WKSHXACPNKNBAF-MFKMUULPSA-N -1 0 342.420 3.264 20 30 EGEDRM N#Cc1cc(Cl)ccc1CN1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC001605592143 973894861 /nfs/dbraw/zinc/89/48/61/973894861.db2.gz XPWMHUSMCSBSPJ-QGZVFWFLSA-N -1 0 326.783 3.396 20 30 EGEDRM N#Cc1cc(NC(=O)[C@@H]2CC[C@H]2C(=O)[O-])ccc1Oc1ccccc1 ZINC001605597227 973896506 /nfs/dbraw/zinc/89/65/06/973896506.db2.gz HXDGDQVXXGEILC-HZPDHXFCSA-N -1 0 336.347 3.400 20 30 EGEDRM N#Cc1cc(Oc2cc(C(=O)[O-])ccc2F)ncc1Br ZINC001605597437 973899386 /nfs/dbraw/zinc/89/93/86/973899386.db2.gz QDSVCSYXVSOWIQ-UHFFFAOYSA-N -1 0 337.104 3.345 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1N=NC(C)c1cccc(NC(C)=O)c1 ZINC000756898782 978700642 /nfs/dbraw/zinc/70/06/42/978700642.db2.gz CDHOHLYXIKTIHO-UHFFFAOYSA-N -1 0 341.367 3.188 20 30 EGEDRM COc1cccc(CC(N=Nc2ccc(C(=O)[O-])cn2)C2CC2)c1 ZINC000763367985 978720933 /nfs/dbraw/zinc/72/09/33/978720933.db2.gz JRQSFWAFNWTMFG-UHFFFAOYSA-N -1 0 325.368 3.209 20 30 EGEDRM Cc1cc(CN=Nc2ccc(C(=O)[O-])cn2)ccc1Br ZINC000763377240 978723030 /nfs/dbraw/zinc/72/30/30/978723030.db2.gz NCDNYAZFKXQUKA-UHFFFAOYSA-N -1 0 334.173 3.297 20 30 EGEDRM CC(C)(C)OC(=O)c1ccc(CN=Nc2ccc(C(=O)[O-])cn2)cc1 ZINC000764907067 978723125 /nfs/dbraw/zinc/72/31/25/978723125.db2.gz CKWHATWDWXIFGP-UHFFFAOYSA-N -1 0 341.367 3.181 20 30 EGEDRM COc1ccc([C@H]2C[C@@H]2C(C)N=Nc2ccc(C(=O)[O-])cn2)cc1 ZINC000789035133 978797916 /nfs/dbraw/zinc/79/79/16/978797916.db2.gz XTJONAXIFCJJHM-HZPDHXFCSA-N -1 0 325.368 3.380 20 30 EGEDRM COc1cc(F)ccc1NN=Cc1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC000794940706 978830721 /nfs/dbraw/zinc/83/07/21/978830721.db2.gz ZEPQSIVUWBGLNE-LLVKDONJSA-N -1 0 332.331 3.132 20 30 EGEDRM C#CCN(Cc1ccc(F)cc1)C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000811817805 978861807 /nfs/dbraw/zinc/86/18/07/978861807.db2.gz SWCKAPAHCZVMAL-UHFFFAOYSA-N -1 0 345.757 3.453 20 30 EGEDRM Cc1ccc(NC(=S)NN=C2CC[C@@H](CC(=O)[O-])[C@H]2C)c(C)c1 ZINC000814706805 978875376 /nfs/dbraw/zinc/87/53/76/978875376.db2.gz FYIXSOJQKIPXDM-OLZOCXBDSA-N -1 0 333.457 3.467 20 30 EGEDRM CC[C@H](C)n1nc(C(=O)OCc2cccc(C(=O)[O-])c2C#N)cc1C ZINC001595022720 979108892 /nfs/dbraw/zinc/10/88/92/979108892.db2.gz NXVVOAWLMDZULH-NSHDSACASA-N -1 0 341.367 3.089 20 30 EGEDRM C[C@@](COC(=O)c1ccc(C#N)c(Cl)c1)(C(=O)[O-])c1ccccc1 ZINC001592772505 979392232 /nfs/dbraw/zinc/39/22/32/979392232.db2.gz PEANQXFGAZKKNX-SFHVURJKSA-N -1 0 343.766 3.411 20 30 EGEDRM COC(=O)CC(C)(C)CC(C)N=Nc1ccc(C(=O)[O-])cc1OC ZINC000853326264 979606129 /nfs/dbraw/zinc/60/61/29/979606129.db2.gz XFVPGKCXEJFHSC-UHFFFAOYSA-N -1 0 336.388 3.161 20 30 EGEDRM C[C@H](Cc1ccc(NC(=O)C2(c3cccc(C#N)c3)CC2)cc1)C(=O)[O-] ZINC001592857441 979664099 /nfs/dbraw/zinc/66/40/99/979664099.db2.gz JFABGFRKRPUSEZ-CQSZACIVSA-N -1 0 348.402 3.492 20 30 EGEDRM C[C@@H](Cc1ccc(NC(=O)N2Cc3cccc(C#N)c3C2)cc1)C(=O)[O-] ZINC001592865573 979707090 /nfs/dbraw/zinc/70/70/90/979707090.db2.gz DESOSZNXTSRZJZ-ZDUSSCGKSA-N -1 0 349.390 3.369 20 30 EGEDRM C[C@@H](Cc1ccc(NC(=O)c2cc(F)c(C#N)c(F)c2)cc1)C(=O)[O-] ZINC001592872240 979728063 /nfs/dbraw/zinc/72/80/63/979728063.db2.gz GPATWUSNMWHOCT-JTQLQIEISA-N -1 0 344.317 3.352 20 30 EGEDRM C[C@H](Cc1ccc(Nc2ccc(C#N)c([N+](=O)[O-])c2)cc1)C(=O)[O-] ZINC001592882385 979751689 /nfs/dbraw/zinc/75/16/89/979751689.db2.gz DJIFHWBQNUAVOD-LLVKDONJSA-N -1 0 325.324 3.473 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)/C=C/c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000864188151 979835724 /nfs/dbraw/zinc/83/57/24/979835724.db2.gz QRIFAUWWRBKTBW-SBDDDAINSA-N -1 0 327.302 3.254 20 30 EGEDRM C=CC1(CC(=O)N2CC[C@H](C(=O)[O-])C[C@H]2[C@H]2CCCO2)CCCCC1 ZINC000899545539 980230207 /nfs/dbraw/zinc/23/02/07/980230207.db2.gz AHZIZZJQQVYWGL-YESZJQIVSA-N -1 0 349.471 3.384 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1c[nH]cc1Cc1ccccc1)C(=O)[O-] ZINC000907780480 981218972 /nfs/dbraw/zinc/21/89/72/981218972.db2.gz GCZXYPVCZRFWEV-KRWDZBQOSA-N -1 0 326.396 3.145 20 30 EGEDRM C#CC[C@H](NC(=O)c1cc(C)ccc1SC1CCCC1)C(=O)[O-] ZINC000910045028 981742674 /nfs/dbraw/zinc/74/26/74/981742674.db2.gz UGXTXIRVRWKPGN-HNNXBMFYSA-N -1 0 331.437 3.236 20 30 EGEDRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)/C=C/c1ccccc1C#N ZINC001594779515 981781193 /nfs/dbraw/zinc/78/11/93/981781193.db2.gz AOALBXDUXYISCX-GNISGLHKSA-N -1 0 326.396 3.063 20 30 EGEDRM C=C(C)C[C@H](NC(=O)[C@H](C)c1ccc(C(=O)C(C)C)cc1)C(=O)[O-] ZINC000910295439 981849710 /nfs/dbraw/zinc/84/97/10/981849710.db2.gz VOLISDBNYAPTRP-CJNGLKHVSA-N -1 0 331.412 3.164 20 30 EGEDRM CCC(C)(C)c1ccc(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)cc1 ZINC001594814839 981941178 /nfs/dbraw/zinc/94/11/78/981941178.db2.gz YXFYFTGXANHSPA-UHFFFAOYSA-N -1 0 328.412 3.205 20 30 EGEDRM CCCC[C@@H](ON=C(C)C)C(=O)Nc1cccc(C(=O)[O-])c1OC ZINC001595651398 982021078 /nfs/dbraw/zinc/02/10/78/982021078.db2.gz FYLKELXJZQIPFY-CQSZACIVSA-N -1 0 336.388 3.303 20 30 EGEDRM CCCC[C@@H](ON=C(C)C)C(=O)NCc1ccc(C(=O)[O-])cc1F ZINC001595652506 982034290 /nfs/dbraw/zinc/03/42/90/982034290.db2.gz UNWHAZUAFFQRMB-OAHLLOKOSA-N -1 0 338.379 3.111 20 30 EGEDRM CCCCCCCC(=O)Nc1cc(S(C)(=O)=O)ccc1C(=O)[O-] ZINC001595704927 982280798 /nfs/dbraw/zinc/28/07/98/982280798.db2.gz LGZRKWJMRYIPET-UHFFFAOYSA-N -1 0 341.429 3.087 20 30 EGEDRM CCCCN1C(=O)N[C@@H](c2c(F)cc(C#N)cc2F)C(C(=O)[O-])=C1C ZINC001595749588 982425686 /nfs/dbraw/zinc/42/56/86/982425686.db2.gz NUIOSTBMVFGIIR-OAHLLOKOSA-N -1 0 349.337 3.061 20 30 EGEDRM C#C[C@@H](NC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1)c1ccccc1 ZINC001588373678 983339313 /nfs/dbraw/zinc/33/93/13/983339313.db2.gz ISWHVUZVVAZADL-CQSZACIVSA-N -1 0 330.290 3.159 20 30 EGEDRM C#CCCOc1ccc(C(=O)NC[C@@H](C(=O)[O-])C2CCCCC2)cc1 ZINC001588455684 983480667 /nfs/dbraw/zinc/48/06/67/983480667.db2.gz QUDKJLLCQPWPFR-GOSISDBHSA-N -1 0 343.423 3.100 20 30 EGEDRM CCN(C(=O)Cc1cccc(C(=O)[O-])c1)[C@H](C)c1ccc(C#N)cc1 ZINC001596143068 983495781 /nfs/dbraw/zinc/49/57/81/983495781.db2.gz KNJMMLCHHNRHDR-CQSZACIVSA-N -1 0 336.391 3.409 20 30 EGEDRM CCN(C(=O)c1ccoc1CC(=O)[O-])[C@@H](C)c1ccc(C#N)cc1 ZINC001596170848 983536402 /nfs/dbraw/zinc/53/64/02/983536402.db2.gz OEFWEWRCDZVGGP-LBPRGKRZSA-N -1 0 326.352 3.002 20 30 EGEDRM C#CCOc1ccccc1OC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001588505203 983550046 /nfs/dbraw/zinc/55/00/46/983550046.db2.gz YHIQKCZZYHWENV-UHFFFAOYSA-N -1 0 330.723 3.269 20 30 EGEDRM C#CCSc1ccc(COC(=O)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC001588509834 983554117 /nfs/dbraw/zinc/55/41/17/983554117.db2.gz QCHKIAKBAKMUBO-UHFFFAOYSA-N -1 0 340.400 3.396 20 30 EGEDRM C#Cc1ccc([C@H](OC(=O)c2cc(C(=O)[O-])ccn2)C(F)(F)F)cc1 ZINC001588516159 983560236 /nfs/dbraw/zinc/56/02/36/983560236.db2.gz BEQRLIUZZYWOKF-AWEZNQCLSA-N -1 0 349.264 3.222 20 30 EGEDRM C#Cc1ccccc1CC(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC001588524292 983574393 /nfs/dbraw/zinc/57/43/93/983574393.db2.gz FATHOIIEIYYKMB-QGZVFWFLSA-N -1 0 341.794 3.196 20 30 EGEDRM C=C(C)CN(Cc1ccc(CO)o1)[C@@H](C(=O)[O-])c1ccccc1C ZINC001588567145 983646535 /nfs/dbraw/zinc/64/65/35/983646535.db2.gz FBRKISPQGUZIJJ-GOSISDBHSA-N -1 0 329.396 3.284 20 30 EGEDRM C=C(C)COc1cccc(NC(=O)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)c1 ZINC001588573508 983653185 /nfs/dbraw/zinc/65/31/85/983653185.db2.gz NNTXGOKFTBWXJV-UGSOOPFHSA-N -1 0 332.400 3.216 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N(C)Cc1ccc(OCC(F)(F)F)cc1 ZINC001588612128 983701763 /nfs/dbraw/zinc/70/17/63/983701763.db2.gz JIFNBEBPSUZEHD-UHFFFAOYSA-N -1 0 345.317 3.007 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N1CCC(c2cc3ccccc3[nH]2)CC1 ZINC001588614019 983706380 /nfs/dbraw/zinc/70/63/80/983706380.db2.gz JIIMEAQTGAQWMY-UHFFFAOYSA-N -1 0 326.396 3.295 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N=[S@](=O)(CC)c1cccc(Cl)c1 ZINC001588618829 983713339 /nfs/dbraw/zinc/71/33/39/983713339.db2.gz BAQNBZQONWJUKS-NRFANRHFSA-N -1 0 329.805 3.134 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC001588619422 983716756 /nfs/dbraw/zinc/71/67/56/983716756.db2.gz SSOLNZIZBDBUHH-UHFFFAOYSA-N -1 0 328.195 3.299 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC001588622174 983722241 /nfs/dbraw/zinc/72/22/41/983722241.db2.gz QKKDDBPYIZFZDZ-UONOGXRCSA-N -1 0 341.411 3.126 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC001588633627 983750478 /nfs/dbraw/zinc/75/04/78/983750478.db2.gz KUMQOFVJSCCSTI-UHFFFAOYSA-N -1 0 337.335 3.105 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1nc2c(s1)c(Cl)ccc2F ZINC001588633596 983750491 /nfs/dbraw/zinc/75/04/91/983750491.db2.gz PVNHPVGIHQFYPH-UHFFFAOYSA-N -1 0 328.752 3.448 20 30 EGEDRM C=C(CNC(=O)Nc1cc(C(=O)[O-])c(F)cc1F)c1ccccc1 ZINC001588637909 983761645 /nfs/dbraw/zinc/76/16/45/983761645.db2.gz YMZLIKWXBGFHEN-UHFFFAOYSA-N -1 0 332.306 3.498 20 30 EGEDRM C=C[C@H](C(=O)Nc1cc(OC)c(OC)cc1C(=O)[O-])c1ccccc1 ZINC001588663975 983797711 /nfs/dbraw/zinc/79/77/11/983797711.db2.gz MJFVWUSAYSVMRA-ZDUSSCGKSA-N -1 0 341.363 3.310 20 30 EGEDRM C=C[C@@](C)(CC)C(=O)NCc1ccc(C(=O)[O-])cc1Br ZINC001588681620 983840663 /nfs/dbraw/zinc/84/06/63/983840663.db2.gz BMLGGLZQAXJIKE-HNNXBMFYSA-N -1 0 340.217 3.366 20 30 EGEDRM C=C[C@@H](Sc1nnc(-c2ccccn2)n1-c1ccccc1)C(=O)[O-] ZINC001588714796 983953552 /nfs/dbraw/zinc/95/35/52/983953552.db2.gz NPQIRMYNMBTITM-CQSZACIVSA-N -1 0 338.392 3.061 20 30 EGEDRM C=C[C@@H]1CCCCN1CC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC001588719079 983958357 /nfs/dbraw/zinc/95/83/57/983958357.db2.gz KSGSEAPAUYHOOW-GFCCVEGCSA-N -1 0 348.468 3.304 20 30 EGEDRM C=CC[C@@H](C(=O)[O-])N(CC)CC(=O)Nc1c(Cl)cccc1Cl ZINC001588729895 983995053 /nfs/dbraw/zinc/99/50/53/983995053.db2.gz VXHAESQYLOKIFD-LBPRGKRZSA-N -1 0 345.226 3.283 20 30 EGEDRM C=CC[C@H](OC(=O)c1csc(Cc2ccc(C)cc2)n1)C(=O)[O-] ZINC001588759486 984112038 /nfs/dbraw/zinc/11/20/38/984112038.db2.gz VBGBDZSWVAEHOE-AWEZNQCLSA-N -1 0 331.393 3.228 20 30 EGEDRM C=CC[C@H](Sc1nnc(COc2cc(C)ccc2C)o1)C(=O)[O-] ZINC001588763666 984120169 /nfs/dbraw/zinc/12/01/69/984120169.db2.gz VPVAFBIYCBSOSG-ZDUSSCGKSA-N -1 0 334.397 3.387 20 30 EGEDRM C=CCC1(CNC(=O)N[C@@H](C)c2ncc(C(=O)[O-])s2)CCCC1 ZINC001588767360 984129928 /nfs/dbraw/zinc/12/99/28/984129928.db2.gz XHRDVGJZPSAFGY-NSHDSACASA-N -1 0 337.445 3.338 20 30 EGEDRM C=CCC1(NS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)CCCC1 ZINC001588768682 984130675 /nfs/dbraw/zinc/13/06/75/984130675.db2.gz AWJJAFUTCZTVHE-UHFFFAOYSA-N -1 0 343.832 3.205 20 30 EGEDRM C=CCCC[C@@H](NC(=O)COc1ccc(C(C)C)c(C)c1)C(=O)[O-] ZINC001588788826 984194026 /nfs/dbraw/zinc/19/40/26/984194026.db2.gz PBDWJHYKGWCHPH-QGZVFWFLSA-N -1 0 333.428 3.423 20 30 EGEDRM C=CCCC[C@H](NC(=O)/C=C(\CC)c1ccc(OC)cc1)C(=O)[O-] ZINC001588790246 984205213 /nfs/dbraw/zinc/20/52/13/984205213.db2.gz UESMNFWIOZTEOT-CLVCIHKQSA-N -1 0 331.412 3.414 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1ccc(F)c(C(F)(F)F)c1)C(=O)[O-] ZINC001588792268 984208077 /nfs/dbraw/zinc/20/80/77/984208077.db2.gz BKUBTTIHJSRXHL-LBPRGKRZSA-N -1 0 333.281 3.384 20 30 EGEDRM C=CCCN(OCc1ccccc1)C(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001588807285 984258747 /nfs/dbraw/zinc/25/87/47/984258747.db2.gz HHCJDXSTFHNABL-UHFFFAOYSA-N -1 0 339.391 3.464 20 30 EGEDRM C=CCN(CC(=O)Nc1ccsc1C(=O)[O-])Cc1ccccc1F ZINC001588823988 984295488 /nfs/dbraw/zinc/29/54/88/984295488.db2.gz JLFXONPQNZQRJF-UHFFFAOYSA-N -1 0 348.399 3.212 20 30 EGEDRM C=CCN(Cc1ccccc1)C(=O)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001588832773 984325713 /nfs/dbraw/zinc/32/57/13/984325713.db2.gz PLDCGJPNUJMCDL-GFCCVEGCSA-N -1 0 345.424 3.300 20 30 EGEDRM C=CCOc1cccc(CN(C)c2ccc(OCC(=O)[O-])cc2)c1 ZINC001588872759 984442254 /nfs/dbraw/zinc/44/22/54/984442254.db2.gz HZCPSLZQVWMQCM-UHFFFAOYSA-N -1 0 327.380 3.351 20 30 EGEDRM C=CCOc1ccc(CC(=O)N[C@]2(C(=O)[O-])CCCC(C)(C)C2)cc1 ZINC001588873741 984446016 /nfs/dbraw/zinc/44/60/16/984446016.db2.gz KCIFLWOVQYBAQE-HXUWFJFHSA-N -1 0 345.439 3.334 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1ccc(F)cc1 ZINC001588885838 984469719 /nfs/dbraw/zinc/46/97/19/984469719.db2.gz YRFHKLVSYCYWPQ-UHFFFAOYSA-N -1 0 330.311 3.480 20 30 EGEDRM CC#CCCCC(=O)N[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001588925460 984587084 /nfs/dbraw/zinc/58/70/84/984587084.db2.gz QRMPGHSGCORHJU-CQSZACIVSA-N -1 0 327.302 3.298 20 30 EGEDRM C/C(=C\CN(Cc1cccc(C(F)(F)F)c1)[C@H](C)C#N)C(=O)[O-] ZINC001588958867 984716750 /nfs/dbraw/zinc/71/67/50/984716750.db2.gz SVWSCGDUADRXEO-IGEMTJHASA-N -1 0 326.318 3.450 20 30 EGEDRM CCOC(=O)c1ccc(C#N)c(S[C@@H](C(=O)[O-])c2ccsc2)n1 ZINC001596713181 984932117 /nfs/dbraw/zinc/93/21/17/984932117.db2.gz FGQZFUMTQRDKJW-GFCCVEGCSA-N -1 0 348.405 3.109 20 30 EGEDRM Cc1[nH]c(C#N)cc1C(=O)Nc1nc(C2CCCC2)c(C(=O)[O-])s1 ZINC001599942901 985477903 /nfs/dbraw/zinc/47/79/03/985477903.db2.gz WGPVIMQVFSKRNX-UHFFFAOYSA-N -1 0 344.396 3.259 20 30 EGEDRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC001599956181 985693184 /nfs/dbraw/zinc/69/31/84/985693184.db2.gz XYPBXKHMUJZNKV-OAHLLOKOSA-N -1 0 337.379 3.009 20 30 EGEDRM CC(C)Oc1ccc(NC(=O)N(C[C@@H](C)C#N)C2CC2)c(C(=O)[O-])c1 ZINC001589329855 986167991 /nfs/dbraw/zinc/16/79/91/986167991.db2.gz USEBLAQDHGKKNH-LBPRGKRZSA-N -1 0 345.399 3.328 20 30 EGEDRM C[C@@H](C#N)CN(Cc1c2cc(F)ccc2n(C)c1C(=O)[O-])C1CC1 ZINC001589330434 986172587 /nfs/dbraw/zinc/17/25/87/986172587.db2.gz FBAGFAUPYPHKJF-NSHDSACASA-N -1 0 329.375 3.140 20 30 EGEDRM C[C@H](C#N)Oc1ccccc1NC(=O)c1ccc(C(=O)[O-])cc1F ZINC001589335948 986215376 /nfs/dbraw/zinc/21/53/76/986215376.db2.gz VBIMYPANGKGYDO-SNVBAGLBSA-N -1 0 328.299 3.067 20 30 EGEDRM Cc1c(C(=O)[O-])c2cc(OC(=O)[C@H](C)CC#N)ccc2n1C1CC1 ZINC001599985006 986217400 /nfs/dbraw/zinc/21/74/00/986217400.db2.gz GVWZPPZAJAPDCF-SNVBAGLBSA-N -1 0 326.352 3.438 20 30 EGEDRM CCOc1ccc(N(CCC#N)C(=O)c2cc(C)c(C(=O)[O-])o2)cc1 ZINC001597107142 986752855 /nfs/dbraw/zinc/75/28/55/986752855.db2.gz VYHIIXWSGVPFMC-UHFFFAOYSA-N -1 0 342.351 3.245 20 30 EGEDRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)NCc2ccc(CC#N)cc2)cc1 ZINC001589512757 987151615 /nfs/dbraw/zinc/15/16/15/987151615.db2.gz WJCNOZNSTADZIR-CYBMUJFWSA-N -1 0 337.379 3.262 20 30 EGEDRM CC[C@@H](C#N)C(=O)N(Cc1ccoc1C(=O)[O-])[C@@H](C)c1ccccn1 ZINC001594722407 987212555 /nfs/dbraw/zinc/21/25/55/987212555.db2.gz OUDCMWIUZWCIOP-STQMWFEESA-N -1 0 341.367 3.012 20 30 EGEDRM CC(C)(C#N)c1ccc(/C=C2/CCn3nc(C(=O)[O-])cc3C2=O)cc1 ZINC001589557742 987307396 /nfs/dbraw/zinc/30/73/96/987307396.db2.gz GRHKFNRHSOGBDP-LCYFTJDESA-N -1 0 335.363 3.052 20 30 EGEDRM CC(C)(C(=O)Nc1ccc(F)c(C(=O)[O-])c1)c1cc(F)cc(C#N)c1 ZINC001589576917 987356513 /nfs/dbraw/zinc/35/65/13/987356513.db2.gz XBXFJKBQCPUAFQ-UHFFFAOYSA-N -1 0 344.317 3.451 20 30 EGEDRM CCc1[nH]c(C(=O)N2CCCc3c(C#N)cccc32)c(C)c1C(=O)[O-] ZINC001597360685 987514630 /nfs/dbraw/zinc/51/46/30/987514630.db2.gz FLBHKCOMAMCICW-UHFFFAOYSA-N -1 0 337.379 3.048 20 30 EGEDRM CCc1[nH]c(C(=O)Nc2cc(C#N)c3ccccc3n2)c(C)c1C(=O)[O-] ZINC001597383651 987584582 /nfs/dbraw/zinc/58/45/82/987584582.db2.gz GWVKCPNNYSJMPI-UHFFFAOYSA-N -1 0 348.362 3.256 20 30 EGEDRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)C1(c2ccc(C#N)cc2)CCCC1 ZINC001589700038 987789096 /nfs/dbraw/zinc/78/90/96/987789096.db2.gz ISTSPALWOXQQOL-MRXNPFEDSA-N -1 0 342.439 3.376 20 30 EGEDRM CCc1nc(NC(=O)[C@H](C)Cc2ccc(C#N)cc2)sc1C(=O)[O-] ZINC001597675991 988787621 /nfs/dbraw/zinc/78/76/21/988787621.db2.gz OMORHOOANYKJAF-SNVBAGLBSA-N -1 0 343.408 3.093 20 30 EGEDRM CN(C(=O)CCCCCC#N)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001598013327 990192910 /nfs/dbraw/zinc/19/29/10/990192910.db2.gz UVUDSMLDZSRJKV-HNNXBMFYSA-N -1 0 342.317 3.162 20 30 EGEDRM CN(CCc1cccc(C#N)c1)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC001598500185 992424538 /nfs/dbraw/zinc/42/45/38/992424538.db2.gz KAXBYXUPQVNNHI-UHFFFAOYSA-N -1 0 341.342 3.102 20 30 EGEDRM CC(C)COC[C@H](N[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccco1 ZINC001591391402 992453087 /nfs/dbraw/zinc/45/30/87/992453087.db2.gz ZJIDNLLTFAZTMY-WMZOPIPTSA-N -1 0 342.395 3.280 20 30 EGEDRM COc1cccc([C@@H](C(=O)[O-])N(C)CC#Cc2ccccc2Cl)c1 ZINC001599647707 994449166 /nfs/dbraw/zinc/44/91/66/994449166.db2.gz UPKZZCJFAKYOCM-SFHVURJKSA-N -1 0 343.810 3.458 20 30 EGEDRM C[C@@H](Nc1ccc(C(=O)[O-])nc1C#N)c1nc2cc(Cl)ccc2[nH]1 ZINC001593363885 995038628 /nfs/dbraw/zinc/03/86/28/995038628.db2.gz WFDUJNPCGYSTEO-MRVPVSSYSA-N -1 0 341.758 3.354 20 30 EGEDRM C[C@@H](Oc1ccc(NC(=O)CC#Cc2ccccc2)cc1F)C(=O)[O-] ZINC001593624499 995887316 /nfs/dbraw/zinc/88/73/16/995887316.db2.gz ORRABDWMMFJCPV-CYBMUJFWSA-N -1 0 341.338 3.058 20 30 EGEDRM C[C@@H](Oc1ccccc1/C=C/C(=O)c1cnn(C2CCC2)c1)C(=O)[O-] ZINC001593645263 995972869 /nfs/dbraw/zinc/97/28/69/995972869.db2.gz RJLLXBFCWIOYAJ-WTNCMQEWSA-N -1 0 340.379 3.356 20 30 EGEDRM C[C@@H](Sc1ccccc1C(=O)OCc1ccccc1C#N)C(=O)[O-] ZINC001593673703 996087044 /nfs/dbraw/zinc/08/70/44/996087044.db2.gz QAQMWSRDEMDCFI-GFCCVEGCSA-N -1 0 341.388 3.480 20 30 EGEDRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)/C=C/c1ccccc1C#N ZINC001599396214 997130432 /nfs/dbraw/zinc/13/04/32/997130432.db2.gz LHJCDDJJVLXWSY-AMMQDNIMSA-N -1 0 349.342 3.283 20 30 EGEDRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)c1cccc(CC#N)c1 ZINC001599398895 997178993 /nfs/dbraw/zinc/17/89/93/997178993.db2.gz MVSHJMQXDMJKDJ-VURMDHGXSA-N -1 0 337.331 3.078 20 30 EGEDRM COc1cc(C=NOCc2ccc(C(=O)[O-])o2)ccc1OC(F)F ZINC001599399589 997190945 /nfs/dbraw/zinc/19/09/45/997190945.db2.gz JCZQPHQGPZDTJY-UHFFFAOYSA-N -1 0 341.266 3.139 20 30 EGEDRM COCCC(=NNc1ccc(CC(=O)[O-])cc1)c1ccc(F)cc1 ZINC001599208491 997455508 /nfs/dbraw/zinc/45/55/08/997455508.db2.gz PPQYJTPOXWTEKT-UHFFFAOYSA-N -1 0 330.359 3.306 20 30 EGEDRM COCCN(Cc1cccc(C(=O)[O-])c1C#N)[C@H](C)c1ccccc1 ZINC001599237561 997972021 /nfs/dbraw/zinc/97/20/21/997972021.db2.gz IFZDDYXQOIWNLK-OAHLLOKOSA-N -1 0 338.407 3.466 20 30 EGEDRM COc1cc(OC(=O)c2ccc(Cl)c(C#N)c2)ccc1C(=O)[O-] ZINC001599447767 998037294 /nfs/dbraw/zinc/03/72/94/998037294.db2.gz MADONHAHADGKEO-UHFFFAOYSA-N -1 0 331.711 3.138 20 30 EGEDRM COC(=O)c1cccc([C@@H](Sc2cccc(F)c2C#N)C(=O)[O-])c1 ZINC001598993692 998759524 /nfs/dbraw/zinc/75/95/24/998759524.db2.gz WZWDXJYGILTGLO-OAHLLOKOSA-N -1 0 345.351 3.402 20 30 EGEDRM CO[C@H](CNc1ccc(C(=O)[O-])nc1C#N)c1ccc(Cl)cc1 ZINC001599056743 999235575 /nfs/dbraw/zinc/23/55/75/999235575.db2.gz YTBXURRKCVQUTK-OAHLLOKOSA-N -1 0 331.759 3.104 20 30 EGEDRM CCc1ccc(C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)c(O)c1 ZINC000328588508 258044793 /nfs/dbraw/zinc/04/47/93/258044793.db2.gz RQTPACYCLCVLOH-LJQANCHMSA-N -1 0 336.391 3.040 20 30 EGEDRM N#Cc1cccnc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000186703586 144141511 /nfs/dbraw/zinc/14/15/11/144141511.db2.gz HLDSGSJAOWHFPB-UHFFFAOYSA-N -1 0 328.180 3.061 20 30 EGEDRM COc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)ccc1F ZINC000186748800 144142528 /nfs/dbraw/zinc/14/25/28/144142528.db2.gz AEONDHJJXAVGRB-UHFFFAOYSA-N -1 0 340.763 3.160 20 30 EGEDRM CC(C)(CC(=O)[O-])CC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000236811579 153474869 /nfs/dbraw/zinc/47/48/69/153474869.db2.gz OPAZMXDWTSWOSA-UHFFFAOYSA-N -1 0 328.290 3.407 20 30 EGEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1nc2ccsc2s1 ZINC000355294815 166156475 /nfs/dbraw/zinc/15/64/75/166156475.db2.gz IILTZHHRSCXQHS-UHFFFAOYSA-N -1 0 335.435 3.339 20 30 EGEDRM COc1nc2ccc(NC(=O)c3ccc(C#N)c([O-])c3)cc2s1 ZINC000355567202 166246238 /nfs/dbraw/zinc/24/62/38/166246238.db2.gz MQOGTXFGEIZVQP-UHFFFAOYSA-N -1 0 325.349 3.134 20 30 EGEDRM N#Cc1ccc(C2=CCN(C(=O)c3cc([N+](=O)[O-])ccc3[O-])CC2)cc1 ZINC000367911155 168283347 /nfs/dbraw/zinc/28/33/47/168283347.db2.gz YXFKLLOXGQDYMS-UHFFFAOYSA-N -1 0 349.346 3.102 20 30 EGEDRM Cc1cc(C)c(S(=O)(=O)[N-]c2nn(C(C)C)cc2C#N)c(C)c1 ZINC000160668828 225448470 /nfs/dbraw/zinc/44/84/70/225448470.db2.gz XPXAQYAGKUFENK-UHFFFAOYSA-N -1 0 332.429 3.062 20 30 EGEDRM N#Cc1cccc(C=CC(=O)[N-]S(=O)(=O)c2ccccc2F)c1 ZINC000048592785 270037505 /nfs/dbraw/zinc/03/75/05/270037505.db2.gz HBCBMLWFMUUCJU-CMDGGOBGSA-N -1 0 330.340 3.056 20 30 EGEDRM N#Cc1cccc(S(=O)(=O)Nc2cc(Cl)cc(F)c2F)c1 ZINC000442241801 270052123 /nfs/dbraw/zinc/05/21/23/270052123.db2.gz LRKVANQTXALLRE-UHFFFAOYSA-N -1 0 328.727 3.291 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC3CC3)cc2)c(F)c1 ZINC000523533358 270059710 /nfs/dbraw/zinc/05/97/10/270059710.db2.gz CHRCEYQARJBBND-UHFFFAOYSA-N -1 0 346.383 3.287 20 30 EGEDRM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2ccc(C#N)cc2C)n[nH]1 ZINC000177773968 266077138 /nfs/dbraw/zinc/07/71/38/266077138.db2.gz ZJGHXDVYGGILBP-NSHDSACASA-N -1 0 332.429 3.294 20 30 EGEDRM CC(C)(C)C[C@@H]([N-]S(=O)(=O)Cc1ccc(C#N)cc1)C(F)(F)F ZINC000273615006 267068642 /nfs/dbraw/zinc/06/86/42/267068642.db2.gz QDLAKOOKUKISJR-CYBMUJFWSA-N -1 0 348.390 3.345 20 30 EGEDRM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000179024842 267289027 /nfs/dbraw/zinc/28/90/27/267289027.db2.gz CGEYSYJWVPPERH-UHFFFAOYSA-N -1 0 326.299 3.085 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2cc(C#N)c3ccccc3n2)ccc1F ZINC000508124062 268017576 /nfs/dbraw/zinc/01/75/76/268017576.db2.gz BCIJITPHVADYHS-UHFFFAOYSA-N -1 0 341.367 3.355 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2nc3c(ccc(F)c3F)s2)cc1[O-] ZINC000443124609 268207334 /nfs/dbraw/zinc/20/73/34/268207334.db2.gz SMTAZEAQCOVWJW-UHFFFAOYSA-N -1 0 331.303 3.404 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(OC3CCCC3)c2)o1 ZINC000288480056 268207458 /nfs/dbraw/zinc/20/74/58/268207458.db2.gz RRKMUJOCQGRXEG-UHFFFAOYSA-N -1 0 332.381 3.273 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2noc3ccccc32)cc1Cl ZINC000438985992 268261313 /nfs/dbraw/zinc/26/13/13/268261313.db2.gz KEELIVCHHNGYJV-UHFFFAOYSA-N -1 0 333.756 3.154 20 30 EGEDRM Cc1cc([N-]S(=O)(=O)c2ccccc2C#N)nn1C1CCCCC1 ZINC000290511399 276505101 /nfs/dbraw/zinc/50/51/01/276505101.db2.gz LUGBFTRVKLKNQC-UHFFFAOYSA-N -1 0 344.440 3.369 20 30 EGEDRM Cc1cccc2sc([N-]S(=O)(=O)c3ccc(C#N)cc3F)nc21 ZINC000125466471 307556415 /nfs/dbraw/zinc/55/64/15/307556415.db2.gz ORPHUZJMTMLWHI-UHFFFAOYSA-N -1 0 347.396 3.416 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2)c(F)c1 ZINC000132720450 307661908 /nfs/dbraw/zinc/66/19/08/307661908.db2.gz MYBDIYKLVFCJQT-UHFFFAOYSA-N -1 0 343.339 3.153 20 30 EGEDRM CCOc1ccc([N-]S(=O)(=O)c2cccc(C)c2C#N)c(C)c1 ZINC000137291852 307717129 /nfs/dbraw/zinc/71/71/29/307717129.db2.gz WOMVPCIBWYOGQF-UHFFFAOYSA-N -1 0 330.409 3.375 20 30 EGEDRM CC(C)n1cc(C#N)c([N-]S(=O)(=O)c2ccc3ccccc3c2)n1 ZINC000160663423 307893407 /nfs/dbraw/zinc/89/34/07/307893407.db2.gz XONCAYBAAFQJMA-UHFFFAOYSA-N -1 0 340.408 3.290 20 30 EGEDRM Cc1cc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)c(C)n1C1CCCCC1 ZINC000170826870 307936432 /nfs/dbraw/zinc/93/64/32/307936432.db2.gz RQPJOVOCESEAKL-UHFFFAOYSA-N -1 0 336.399 3.329 20 30 EGEDRM Cc1[n-][nH]c(=NC(=O)c2ccccc2Oc2cccc(C)c2)c1C#N ZINC000508754074 312102173 /nfs/dbraw/zinc/10/21/73/312102173.db2.gz PMGXDLPXJDKUPU-UHFFFAOYSA-N -1 0 332.363 3.365 20 30 EGEDRM CC(C)(C)n1cc(C#N)c(=NC(=O)c2ccc(SC3CC3)cc2)[n-]1 ZINC000543081343 314602877 /nfs/dbraw/zinc/60/28/77/314602877.db2.gz UJAVCEUXTPLFJB-UHFFFAOYSA-N -1 0 340.452 3.438 20 30 EGEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000545294117 314753142 /nfs/dbraw/zinc/75/31/42/314753142.db2.gz VJGUUESMUTXBKJ-UHFFFAOYSA-N -1 0 340.763 3.160 20 30 EGEDRM C[C@H]1CCN(c2nc3c(cc2C#N)CCCC3(C)C)C[C@H]1C(=O)[O-] ZINC000564971479 316239348 /nfs/dbraw/zinc/23/93/48/316239348.db2.gz MMTKPBGZULLQFK-SWLSCSKDSA-N -1 0 327.428 3.114 20 30 EGEDRM CC(C)CCOc1cccc([N-]S(=O)(=O)c2ccc(C#N)o2)c1 ZINC000567510392 316628684 /nfs/dbraw/zinc/62/86/84/316628684.db2.gz YBUOYANSGNGSPR-UHFFFAOYSA-N -1 0 334.397 3.377 20 30 EGEDRM CCc1ncsc1[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000358784765 458215085 /nfs/dbraw/zinc/21/50/85/458215085.db2.gz LAAMPGVOFPNXRI-UHFFFAOYSA-N -1 0 327.818 3.031 20 30 EGEDRM CC1(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)CCC(F)(F)CC1 ZINC000612140318 460552807 /nfs/dbraw/zinc/55/28/07/460552807.db2.gz HEJQLJMHCOOHEX-UHFFFAOYSA-N -1 0 348.802 3.458 20 30 EGEDRM N#Cc1nc(NC(=O)c2cccc(Oc3ccccc3)c2)[n-]c1C#N ZINC000000581059 452627744 /nfs/dbraw/zinc/62/77/44/452627744.db2.gz BKIMWGVGQYJGTH-UHFFFAOYSA-N -1 0 329.319 3.198 20 30 EGEDRM C=C(C)CN(C)C(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000183603113 455310069 /nfs/dbraw/zinc/31/00/69/455310069.db2.gz KEEMSXBSULRIMX-UHFFFAOYSA-N -1 0 339.317 3.245 20 30 EGEDRM Cc1ccc(-n2cc(C([O-])=C(C#N)c3nc4ccccc4o3)nn2)cc1 ZINC000054736329 453945159 /nfs/dbraw/zinc/94/51/59/453945159.db2.gz GJIYVKXILPFSOU-AWEZNQCLSA-N -1 0 343.346 3.207 20 30 EGEDRM COCc1c2ccccc2oc1C([O-])=C(C#N)c1cc(C)nc(C)n1 ZINC000041574697 453973111 /nfs/dbraw/zinc/97/31/11/453973111.db2.gz NHUVKTJKLBDHIK-CQSZACIVSA-N -1 0 335.363 3.476 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(C)sc2C)n1 ZINC000067895743 453978665 /nfs/dbraw/zinc/97/86/65/453978665.db2.gz VFAHCHHEZIPPPY-NSHDSACASA-N -1 0 334.422 3.488 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(F)cc(F)c2)n1 ZINC000067896116 453978729 /nfs/dbraw/zinc/97/87/29/453978729.db2.gz NIJKFLPJRLJGAO-LLVKDONJSA-N -1 0 336.319 3.088 20 30 EGEDRM COc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2OC(C)C)cc1 ZINC000057122631 454103173 /nfs/dbraw/zinc/10/31/73/454103173.db2.gz CBSGMEXQTLTGEJ-UHFFFAOYSA-N -1 0 346.408 3.155 20 30 EGEDRM CC(C)Oc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000057122653 454103424 /nfs/dbraw/zinc/10/34/24/454103424.db2.gz FXUDBTFLHWMSBC-UHFFFAOYSA-N -1 0 341.392 3.018 20 30 EGEDRM CCSc1ccc(C([O-])=C(C#N)c2nnc3n2CCCCC3)cn1 ZINC000070034127 454165292 /nfs/dbraw/zinc/16/52/92/454165292.db2.gz CYBOBAABWIRUJA-CYBMUJFWSA-N -1 0 341.440 3.002 20 30 EGEDRM N#CC(=C([O-])c1csc(-c2cnccn2)n1)c1nc2ccccc2o1 ZINC000077941374 454171131 /nfs/dbraw/zinc/17/11/31/454171131.db2.gz HXPLDSFLQOJREY-SNVBAGLBSA-N -1 0 347.359 3.231 20 30 EGEDRM CN(CC#Cc1ccc(Cl)cc1)Cc1nc(=O)c2sccc2[n-]1 ZINC000131530868 454261865 /nfs/dbraw/zinc/26/18/65/454261865.db2.gz YVPDJHXQGWWASA-UHFFFAOYSA-N -1 0 343.839 3.122 20 30 EGEDRM CCc1cc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)n[nH]1 ZINC000121875759 454488701 /nfs/dbraw/zinc/48/87/01/454488701.db2.gz FEQSUTKQAWNQCP-AWEZNQCLSA-N -1 0 347.403 3.457 20 30 EGEDRM COc1ccccc1C=CC(=O)[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC000048567330 454498620 /nfs/dbraw/zinc/49/86/20/454498620.db2.gz PRBFPSUMFFYGNL-DHZHZOJOSA-N -1 0 349.383 3.334 20 30 EGEDRM O=C(C=Cc1ccc([N+](=O)[O-])cc1)[N-]S(=O)(=O)Cc1ccccc1 ZINC000048594877 454501805 /nfs/dbraw/zinc/50/18/05/454501805.db2.gz RDCRHAUNYTXSLY-DHZHZOJOSA-N -1 0 346.364 3.095 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2ccccc2NC(=O)NC(C)C)n1 ZINC000048787519 454515806 /nfs/dbraw/zinc/51/58/06/454515806.db2.gz XTCPCPACCIUXEW-CYBMUJFWSA-N -1 0 342.424 3.472 20 30 EGEDRM CC(C)S(=O)(=O)[N-]C(=O)C=Cc1ccccc1Br ZINC000049418121 454548398 /nfs/dbraw/zinc/54/83/98/454548398.db2.gz XNPOWBADXDYTDO-BQYQJAHWSA-N -1 0 332.219 3.157 20 30 EGEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164305178 454879890 /nfs/dbraw/zinc/87/98/90/454879890.db2.gz VLTPOWUSKBDBJX-UHFFFAOYSA-N -1 0 342.351 3.137 20 30 EGEDRM Cc1ccc([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)c(F)c1 ZINC000128052293 455021823 /nfs/dbraw/zinc/02/18/23/455021823.db2.gz GSGQYEZOARSGRU-UHFFFAOYSA-N -1 0 326.299 3.085 20 30 EGEDRM C[C@H]1CCCC[C@@H]1NC(=O)Cn1[n-]c(C(C)(C)C)c(CCC#N)c1=O ZINC000151841830 455038672 /nfs/dbraw/zinc/03/86/72/455038672.db2.gz WIAPULFYFFGNFR-ZFWWWQNUSA-N -1 0 346.475 3.037 20 30 EGEDRM CCc1noc2ncc(C([O-])=C(C#N)c3nc4ccccc4o3)cc12 ZINC000171266753 455054287 /nfs/dbraw/zinc/05/42/87/455054287.db2.gz HYHSPGIZUQNHDX-GFCCVEGCSA-N -1 0 332.319 3.416 20 30 EGEDRM C=CCC[C@H](NC(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1)c1ccccc1 ZINC000626757547 460659574 /nfs/dbraw/zinc/65/95/74/460659574.db2.gz XLUJMUMBJOFTSC-OIISXLGYSA-N -1 0 330.428 3.446 20 30 EGEDRM COCCOc1cc(C([O-])=C(C#N)c2nc(C(C)C)cs2)ccn1 ZINC000180068301 455127074 /nfs/dbraw/zinc/12/70/74/455127074.db2.gz VHWJNBVBZCVQMZ-ZDUSSCGKSA-N -1 0 345.424 3.177 20 30 EGEDRM CCCC[C@@H](/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-])C(=O)OC ZINC000184305852 455369925 /nfs/dbraw/zinc/36/99/25/455369925.db2.gz LUWLBXBPADXSOE-FNQVVVRFSA-N -1 0 328.752 3.105 20 30 EGEDRM N#Cc1cc(C(=O)Nc2cc(Cl)cc(Br)c2[O-])c[nH]1 ZINC000182768072 455583280 /nfs/dbraw/zinc/58/32/80/455583280.db2.gz SFONCRHIEJYMKA-UHFFFAOYSA-N -1 0 340.564 3.260 20 30 EGEDRM CC(C)c1csc(C(C#N)=C([O-])c2cc(=O)[nH]c(C3CC3)c2)n1 ZINC000187522471 455919812 /nfs/dbraw/zinc/91/98/12/455919812.db2.gz KASZHTVTAQZTIY-GFCCVEGCSA-N -1 0 327.409 3.322 20 30 EGEDRM Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)[N-]c1c(C#N)cnn1C ZINC000187730627 455945615 /nfs/dbraw/zinc/94/56/15/455945615.db2.gz WKAQNMRVVBOBDL-UHFFFAOYSA-N -1 0 346.456 3.007 20 30 EGEDRM C=C(C)CS(=O)(=O)[N-][C@@H](c1c(F)cccc1F)C(F)(F)F ZINC000280486130 455980906 /nfs/dbraw/zinc/98/09/06/455980906.db2.gz BAQGSTHEMUXVEK-NSHDSACASA-N -1 0 329.290 3.064 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2cccc(OCc3ccccn3)c2)cc1[O-] ZINC000188294474 456038114 /nfs/dbraw/zinc/03/81/14/456038114.db2.gz HBXRTMRCYPXIMV-UHFFFAOYSA-N -1 0 345.358 3.490 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2ccc3[nH]c([C@H]4CCCO4)nc3c2)cc1[O-] ZINC000188344541 456047617 /nfs/dbraw/zinc/04/76/17/456047617.db2.gz GSTPRKPMFUODBB-QGZVFWFLSA-N -1 0 348.362 3.244 20 30 EGEDRM COC(=O)Cc1cccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)c1 ZINC000188956368 456181852 /nfs/dbraw/zinc/18/18/52/456181852.db2.gz FBHRJQIVQZNHGA-CQSZACIVSA-N -1 0 342.420 3.472 20 30 EGEDRM CCO[C@@H](C)C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000237028953 456222149 /nfs/dbraw/zinc/22/21/49/456222149.db2.gz ZKRJXMRMLLNKQQ-AWEZNQCLSA-N -1 0 337.375 3.148 20 30 EGEDRM Cc1cccc2c1N(C1CC1)CCN2C(=O)c1ccc(C#N)c([O-])c1 ZINC000189221545 456257354 /nfs/dbraw/zinc/25/73/54/456257354.db2.gz PQKKWCNKYLIIQE-UHFFFAOYSA-N -1 0 333.391 3.202 20 30 EGEDRM COc1ccc(C(=O)Nc2sc3c(c2C#N)[C@@H](C)[C@@H](C)CC3)nn1 ZINC000298002194 456341608 /nfs/dbraw/zinc/34/16/08/456341608.db2.gz YWHHDDQUXDZEIC-UWVGGRQHSA-N -1 0 342.424 3.356 20 30 EGEDRM C=CCOc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)cc1 ZINC000347888940 456423784 /nfs/dbraw/zinc/42/37/84/456423784.db2.gz QLSATGDXRGYMHL-QGZVFWFLSA-N -1 0 343.354 3.336 20 30 EGEDRM CCc1ocnc1C([O-])=C(C#N)c1nc2ccccc2n1C(F)F ZINC000353024524 456447330 /nfs/dbraw/zinc/44/73/30/456447330.db2.gz INBRUCSPDKWOKV-VIFPVBQESA-N -1 0 330.294 3.472 20 30 EGEDRM COc1ccc([N+](=O)[O-])cc1C(=O)Nc1sc(C)c(C)c1C#N ZINC000348109115 456487132 /nfs/dbraw/zinc/48/71/32/456487132.db2.gz MBCVUGIXYCKUCM-UHFFFAOYSA-N -1 0 331.353 3.406 20 30 EGEDRM Cn1nc(C([O-])=C(C#N)c2ccc3ccccc3n2)c2c1CCCC2 ZINC000651584862 462270177 /nfs/dbraw/zinc/27/01/77/462270177.db2.gz YLMSPEKYNQXWQZ-HNNXBMFYSA-N -1 0 330.391 3.337 20 30 EGEDRM CC[C@@H](c1n[n-]c(=NC(=O)N(C)C[C@@H](C)C#N)s1)c1ccccc1 ZINC000340763896 456673981 /nfs/dbraw/zinc/67/39/81/456673981.db2.gz QXNDYVCSAAQVKY-GXTWGEPZSA-N -1 0 343.456 3.125 20 30 EGEDRM Cc1ncncc1C([O-])=C(C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000353529018 456738877 /nfs/dbraw/zinc/73/88/77/456738877.db2.gz PCNIXXTZRVMDLH-AWEZNQCLSA-N -1 0 345.387 3.270 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccnc(C3CC3)c2)n1 ZINC000340887810 456741229 /nfs/dbraw/zinc/74/12/29/456741229.db2.gz XSRMHXYHNBEPOY-GFCCVEGCSA-N -1 0 341.392 3.082 20 30 EGEDRM C[C@H](C(=O)Nc1cccc([C@]2(C)NC(=O)NC2=O)c1)C1CCOCC1 ZINC000328770543 456757459 /nfs/dbraw/zinc/75/74/59/456757459.db2.gz JAUUJNJQXSLVOQ-VOJFVSQTSA-N -1 0 345.399 3.437 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2nc(C(C)C)oc2C)n1 ZINC000353590925 456788131 /nfs/dbraw/zinc/78/81/31/456788131.db2.gz HNTVQYAUTWKEKI-JTQLQIEISA-N -1 0 347.396 3.230 20 30 EGEDRM Cc1csc2ncc(/C([O-])=N/[C@@H]3CC[C@@H]4CCC[C@@H]4C3)c(=O)n12 ZINC000329229820 456857868 /nfs/dbraw/zinc/85/78/68/456857868.db2.gz JODQNSOXPINNKT-YNEHKIRRSA-N -1 0 331.441 3.338 20 30 EGEDRM CC(C)(CCC#N)CNC(=O)N=c1nc(-c2ccccc2)[n-]s1 ZINC000348842417 456879642 /nfs/dbraw/zinc/87/96/42/456879642.db2.gz HIKAFKJCJVLREY-UHFFFAOYSA-N -1 0 329.429 3.078 20 30 EGEDRM C=CCOc1ccc(CNC(=O)CC2(CC(=O)[O-])CCCC2)cc1 ZINC000349005803 456893239 /nfs/dbraw/zinc/89/32/39/456893239.db2.gz MLBMXEDPHGZKDM-UHFFFAOYSA-N -1 0 331.412 3.293 20 30 EGEDRM N#CCCCCS(=O)(=O)[N-][C@@H](c1ccc(F)cc1)C(F)(F)F ZINC000345113410 456930295 /nfs/dbraw/zinc/93/02/95/456930295.db2.gz RQLDLIUERQDEEJ-LBPRGKRZSA-N -1 0 338.326 3.042 20 30 EGEDRM CC(C)COc1ccc(C(=O)N=c2[n-]n(C(C)C)cc2C#N)cc1 ZINC000345160103 456947872 /nfs/dbraw/zinc/94/78/72/456947872.db2.gz IWFGWNYQZYNCGO-UHFFFAOYSA-N -1 0 326.400 3.045 20 30 EGEDRM Cc1c(C(=O)N=c2[n-]n(C(C)C)cc2C#N)sc2nccc(C)c12 ZINC000345169143 456950787 /nfs/dbraw/zinc/95/07/87/456950787.db2.gz UMJLUSYVUFZJIU-UHFFFAOYSA-N -1 0 339.424 3.236 20 30 EGEDRM CC(C)c1nc([C@H]2CCCCCN2C(=O)N=c2cn[n-]s2)no1 ZINC000330203822 457002984 /nfs/dbraw/zinc/00/29/84/457002984.db2.gz BDADRGCVRJIAGO-SNVBAGLBSA-N -1 0 336.421 3.207 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)N(C)[C@@H](C)c2ccc(F)cc2)cc1C#N ZINC000349804066 457058269 /nfs/dbraw/zinc/05/82/69/457058269.db2.gz UOIRDNWUPZELLS-JTQLQIEISA-N -1 0 345.399 3.353 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)N2CCC[C@@H](C(C)(C)C)C2)cc1C#N ZINC000331067263 457126638 /nfs/dbraw/zinc/12/66/38/457126638.db2.gz GLGUGYRPWIFNKI-GFCCVEGCSA-N -1 0 333.457 3.279 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)c2ccncn2)nn1-c1cc(C)cc(C)c1 ZINC000354456965 457235091 /nfs/dbraw/zinc/23/50/91/457235091.db2.gz BXLARIJCQULVKB-MRXNPFEDSA-N -1 0 331.379 3.078 20 30 EGEDRM N#CC(=C([O-])c1csc(Cc2cccc(F)c2)n1)c1ccncn1 ZINC000354457032 457235535 /nfs/dbraw/zinc/23/55/35/457235535.db2.gz CCYOLUDFWOKLJC-CYBMUJFWSA-N -1 0 338.367 3.153 20 30 EGEDRM N#CC(=C([O-])c1cc2cc(Br)ccc2o1)c1ccncn1 ZINC000354464739 457240725 /nfs/dbraw/zinc/24/07/25/457240725.db2.gz KOXRUFOPRXTBFP-NSHDSACASA-N -1 0 342.152 3.475 20 30 EGEDRM C=CCn1c(=N)[n-]nc1SCCn1ccc2cc(Cl)ccc21 ZINC000351561666 457303412 /nfs/dbraw/zinc/30/34/12/457303412.db2.gz XOGGXMCPAXVNFS-UHFFFAOYSA-N -1 0 333.848 3.277 20 30 EGEDRM CC(=Cc1cc(O)cc(C(F)(F)F)c1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000357087772 457316034 /nfs/dbraw/zinc/31/60/34/457316034.db2.gz WYURYJIPMAWZSY-FPYGCLRLSA-N -1 0 335.285 3.235 20 30 EGEDRM Cc1nnc2ccc(C([O-])=C(C#N)c3nc(C(C)C)cs3)cn12 ZINC000352113638 457339071 /nfs/dbraw/zinc/33/90/71/457339071.db2.gz LODMUKXFRQOFOA-LBPRGKRZSA-N -1 0 325.397 3.108 20 30 EGEDRM N#CC(=C([O-])c1cc2n(n1)CCO2)c1nc2cc(Cl)ccc2s1 ZINC000355108104 457343423 /nfs/dbraw/zinc/34/34/23/457343423.db2.gz ZSUGZZIWYWZQMO-VIFPVBQESA-N -1 0 344.783 3.029 20 30 EGEDRM Cn1cc(C([O-])=C(C#N)c2ccncn2)c(-c2ccc(Cl)s2)n1 ZINC000355541661 457386457 /nfs/dbraw/zinc/38/64/57/457386457.db2.gz CTEWCONXBLDQPP-VIFPVBQESA-N -1 0 343.799 3.082 20 30 EGEDRM CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccccc1CC#N ZINC000355842998 457423209 /nfs/dbraw/zinc/42/32/09/457423209.db2.gz LFNPHIQRBUAMHA-UHFFFAOYSA-N -1 0 334.372 3.091 20 30 EGEDRM C=CCN=c1[n-]nc(SCc2ccc(-n3ccnc3)cc2C)s1 ZINC000356038080 457442331 /nfs/dbraw/zinc/44/23/31/457442331.db2.gz MOUZZTYNTRPANG-UHFFFAOYSA-N -1 0 343.481 3.344 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2cc(C)n(-c3cccc(C#N)c3)n2)n1 ZINC000356168427 457501598 /nfs/dbraw/zinc/50/15/98/457501598.db2.gz PMMSCLKJYMBUSB-OAHLLOKOSA-N -1 0 347.403 3.307 20 30 EGEDRM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1ccc(C#N)c(F)c1 ZINC000357460684 457543358 /nfs/dbraw/zinc/54/33/58/457543358.db2.gz ATLMTHAEOMPIQY-UHFFFAOYSA-N -1 0 334.372 3.124 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)nc2)o1 ZINC000361137049 457605925 /nfs/dbraw/zinc/60/59/25/457605925.db2.gz UHZJUFHDZXTBPK-UHFFFAOYSA-N -1 0 341.348 3.139 20 30 EGEDRM N#C[C@H]1CC[C@@H](NC(=O)N=c2nc(-c3cccc(Cl)c3)[n-]s2)C1 ZINC000425670749 457627229 /nfs/dbraw/zinc/62/72/29/457627229.db2.gz SBHHOZGOXBDYLJ-JOYOIKCWSA-N -1 0 347.831 3.094 20 30 EGEDRM CCc1nc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)co1 ZINC000357994330 457735754 /nfs/dbraw/zinc/73/57/54/457735754.db2.gz KQPHAVBNVXQPSZ-SECBINFHSA-N -1 0 330.294 3.472 20 30 EGEDRM COc1c(C([O-])=C(C#N)c2nc3ccccc3o2)cccc1[N+](=O)[O-] ZINC000361673954 457815803 /nfs/dbraw/zinc/81/58/03/457815803.db2.gz BBBMTCQUIRSYMU-LLVKDONJSA-N -1 0 337.291 3.235 20 30 EGEDRM Cc1nc(C)c(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)nc1C ZINC000362129036 458032733 /nfs/dbraw/zinc/03/27/33/458032733.db2.gz JJCVQXQKZOPNIR-GFCCVEGCSA-N -1 0 334.301 3.306 20 30 EGEDRM N#CC(=C([O-])c1cnn2ccccc12)c1cc(C(F)(F)F)ccn1 ZINC000362176418 458039083 /nfs/dbraw/zinc/03/90/83/458039083.db2.gz BYVXOPJYYPUMCJ-NSHDSACASA-N -1 0 330.269 3.238 20 30 EGEDRM COc1ccc2c(c1OC)O/C(=C\c1ccc(C(=O)[O-])cc1)C2=O ZINC000369046757 458073172 /nfs/dbraw/zinc/07/31/72/458073172.db2.gz HDVUIHAZDIBBOM-ZROIWOOFSA-N -1 0 326.304 3.018 20 30 EGEDRM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@@](C)(CC(=O)[O-])C1CCCCC1 ZINC000435725501 458191446 /nfs/dbraw/zinc/19/14/46/458191446.db2.gz XVEPNCPEKYLQGF-FNHZYXHNSA-N -1 0 337.460 3.145 20 30 EGEDRM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1ccc(F)cc1C#N ZINC000446762535 458225891 /nfs/dbraw/zinc/22/58/91/458225891.db2.gz UKHXBINIXXOUGH-UHFFFAOYSA-N -1 0 334.372 3.124 20 30 EGEDRM N#CCc1ccc([N-]S(=O)(=O)c2cnc3ccc(F)cc3c2)cc1 ZINC000436476862 458310830 /nfs/dbraw/zinc/31/08/30/458310830.db2.gz HAEPRRPALSJXJT-UHFFFAOYSA-N -1 0 341.367 3.241 20 30 EGEDRM C=CCC[C@H](C(=O)Nc1ncc(C(=O)OCC)[n-]1)c1ccccc1 ZINC000415645658 458333129 /nfs/dbraw/zinc/33/31/29/458333129.db2.gz ILSUUJAFEYAKCA-AWEZNQCLSA-N -1 0 327.384 3.275 20 30 EGEDRM CCCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)[C@@H](C#N)CC)c1 ZINC000416965311 458357884 /nfs/dbraw/zinc/35/78/84/458357884.db2.gz XFRCIRPBIQVRSI-LLVKDONJSA-N -1 0 343.836 3.122 20 30 EGEDRM CC(C)(CCC#N)CNC(=O)c1cc(F)cc(Br)c1[O-] ZINC000436743680 458372018 /nfs/dbraw/zinc/37/20/18/458372018.db2.gz ZCRBFVXVZFBUAL-UHFFFAOYSA-N -1 0 343.196 3.354 20 30 EGEDRM CC(C)N(Cc1ccc(C#N)cc1)C(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000448155755 458396659 /nfs/dbraw/zinc/39/66/59/458396659.db2.gz FGTFXEHMLBIXKY-UHFFFAOYSA-N -1 0 335.411 3.090 20 30 EGEDRM C[C@H](NC(=O)N=c1ccc(-c2ccccc2)n[n-]1)c1ccc(C#N)cc1 ZINC000448352231 458400530 /nfs/dbraw/zinc/40/05/30/458400530.db2.gz SXBXVUKKJRMPRR-AWEZNQCLSA-N -1 0 343.390 3.320 20 30 EGEDRM C=CCC[C@@H](NC(=O)[C@@H](OC1CCCC1)c1ccccc1)C(=O)[O-] ZINC000448991658 458418327 /nfs/dbraw/zinc/41/83/27/458418327.db2.gz JNFVFGWAHZTOFR-SJORKVTESA-N -1 0 331.412 3.223 20 30 EGEDRM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1cnc2ccsc2c1 ZINC000431195826 458542477 /nfs/dbraw/zinc/54/24/77/458542477.db2.gz YRESBZYFTIGJKD-UHFFFAOYSA-N -1 0 329.406 3.277 20 30 EGEDRM C=CCCc1ccccc1[N-]S(=O)(=O)c1c(C)nn(COC)c1C ZINC000424072508 458550591 /nfs/dbraw/zinc/55/05/91/458550591.db2.gz YDVNXLBJGGLTBB-UHFFFAOYSA-N -1 0 349.456 3.023 20 30 EGEDRM C=CCN(Cc1ccccc1F)C(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC000424405575 458635456 /nfs/dbraw/zinc/63/54/56/458635456.db2.gz DXPOVTVCNBGPTR-HNNXBMFYSA-N -1 0 336.407 3.270 20 30 EGEDRM C=CCN(CCc1ccccc1)C(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC000424425526 458639993 /nfs/dbraw/zinc/63/99/93/458639993.db2.gz QXKAKAKKIUODLY-QGZVFWFLSA-N -1 0 332.444 3.174 20 30 EGEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc2c1CCCC2 ZINC000463527965 458709410 /nfs/dbraw/zinc/70/94/10/458709410.db2.gz RIVSUKKPOWYBAJ-UHFFFAOYSA-N -1 0 342.420 3.246 20 30 EGEDRM CCN=c1[n-]nc(SCc2ccc(C#N)cc2OC(F)F)s1 ZINC000439544532 458724768 /nfs/dbraw/zinc/72/47/68/458724768.db2.gz ULXMGUXCOCGLQR-UHFFFAOYSA-N -1 0 342.396 3.157 20 30 EGEDRM C[C@@H](C(=O)N=c1ccc(-c2ccccc2)n[n-]1)c1cccc(C#N)c1 ZINC000464263878 458739932 /nfs/dbraw/zinc/73/99/32/458739932.db2.gz RJPIIULESJDOBC-CQSZACIVSA-N -1 0 328.375 3.179 20 30 EGEDRM CC1(C)Cc2cccc([N-]S(=O)(=O)c3ccc(C#N)cc3)c2O1 ZINC000530487147 458777400 /nfs/dbraw/zinc/77/74/00/458777400.db2.gz AIKTVGZCWUIROF-UHFFFAOYSA-N -1 0 328.393 3.073 20 30 EGEDRM CC1(C)Cc2cccc([N-]S(=O)(=O)c3ccccc3C#N)c2O1 ZINC000530540528 458786142 /nfs/dbraw/zinc/78/61/42/458786142.db2.gz CULQKBCZLZWMFG-UHFFFAOYSA-N -1 0 328.393 3.073 20 30 EGEDRM C=CCC[C@H](NC(=O)Nc1ccc(OC(F)F)c(Cl)c1)C(=O)[O-] ZINC000517220036 458827932 /nfs/dbraw/zinc/82/79/32/458827932.db2.gz BBDPMBSWIVGTNM-JTQLQIEISA-N -1 0 348.733 3.482 20 30 EGEDRM C=CCN=c1[n-]nc(Sc2nccc(Oc3ccccc3)n2)s1 ZINC000433020174 458828119 /nfs/dbraw/zinc/82/81/19/458828119.db2.gz RCZNJVCIQZCERA-UHFFFAOYSA-N -1 0 343.437 3.291 20 30 EGEDRM Cn1cnc2c1nccc2C([O-])=C(C#N)c1ncc(C(C)(C)C)s1 ZINC000554010341 458897305 /nfs/dbraw/zinc/89/73/05/458897305.db2.gz FOCCJBVAYNBYJN-LLVKDONJSA-N -1 0 339.424 3.212 20 30 EGEDRM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cc(CC#N)ccn2)cc1 ZINC000531653013 458952995 /nfs/dbraw/zinc/95/29/95/458952995.db2.gz PWVAAAULZHOXJU-CYBMUJFWSA-N -1 0 329.425 3.462 20 30 EGEDRM CCCOc1ccccc1[N-]S(=O)(=O)c1ccccc1CC#N ZINC000475789583 458966217 /nfs/dbraw/zinc/96/62/17/458966217.db2.gz SKBPOQHGKAGCOK-UHFFFAOYSA-N -1 0 330.409 3.342 20 30 EGEDRM O=C([O-])CC1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 ZINC000557976033 459122379 /nfs/dbraw/zinc/12/23/79/459122379.db2.gz BUOJANQXINHDGZ-UHFFFAOYSA-N -1 0 347.414 3.413 20 30 EGEDRM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cc(CC#N)ccn2)s1 ZINC000532670875 459127436 /nfs/dbraw/zinc/12/74/36/459127436.db2.gz RBWDRQQLCYSRSF-UHFFFAOYSA-N -1 0 335.454 3.307 20 30 EGEDRM CO[C@H](CS(=O)(=O)[N-]c1ccc(F)cc1C#N)C1CCCCC1 ZINC000594722153 459139596 /nfs/dbraw/zinc/13/95/96/459139596.db2.gz DTYDUTZQPWMNLN-MRXNPFEDSA-N -1 0 340.420 3.034 20 30 EGEDRM CO[C@@H](CS(=O)(=O)[N-]c1cc(Cl)ccc1C#N)C1CCCC1 ZINC000594723938 459141830 /nfs/dbraw/zinc/14/18/30/459141830.db2.gz RNBRCBCDHQQJCW-HNNXBMFYSA-N -1 0 342.848 3.159 20 30 EGEDRM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NCCC(F)(F)F ZINC000594756133 459152295 /nfs/dbraw/zinc/15/22/95/459152295.db2.gz DEKLCSXDQDXLJF-UHFFFAOYSA-N -1 0 348.371 3.312 20 30 EGEDRM Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1ccc(C#N)c(F)c1 ZINC000558596627 459177162 /nfs/dbraw/zinc/17/71/62/459177162.db2.gz VVNMZASFAZHWDV-UHFFFAOYSA-N -1 0 341.367 3.355 20 30 EGEDRM CC(C)C[C@H](CNC(=O)N[C@H](C)c1cccc(C#N)c1)CC(=O)[O-] ZINC000595261118 459263911 /nfs/dbraw/zinc/26/39/11/459263911.db2.gz RPXSXHXJEFQKOB-HIFRSBDPSA-N -1 0 331.416 3.055 20 30 EGEDRM C=C[C@@H](C)NC(=O)N=c1[n-]nc(-c2c(F)cccc2Cl)s1 ZINC000481894982 459280493 /nfs/dbraw/zinc/28/04/93/459280493.db2.gz QOYOQUMBDAVZSX-SSDOTTSWSA-N -1 0 326.784 3.116 20 30 EGEDRM C=CCOc1ccccc1CNC(=O)N=c1[n-]nc(CCCC)s1 ZINC000523587375 459315388 /nfs/dbraw/zinc/31/53/88/459315388.db2.gz OXMSLSJLOAKNFS-UHFFFAOYSA-N -1 0 346.456 3.189 20 30 EGEDRM C=CCn1c(=N)[n-]nc1SCc1ncc(-c2ccccc2C)o1 ZINC000535263602 459354746 /nfs/dbraw/zinc/35/47/46/459354746.db2.gz BGTWFQLDFOJLDR-UHFFFAOYSA-N -1 0 327.413 3.132 20 30 EGEDRM C=C[C@@H]1CCCCN1C(=O)N=c1[n-]nc(Cc2ccccc2F)s1 ZINC000488284497 459542280 /nfs/dbraw/zinc/54/22/80/459542280.db2.gz LCCPWJOUSITXMK-CYBMUJFWSA-N -1 0 346.431 3.262 20 30 EGEDRM CN(C)c1ccc(C#N)c([N-]S(=O)(=O)Cc2cccc(Cl)c2)c1 ZINC000570003958 459545086 /nfs/dbraw/zinc/54/50/86/459545086.db2.gz LYOSBTDCDXKGQH-UHFFFAOYSA-N -1 0 349.843 3.220 20 30 EGEDRM C=CCOc1cccc(NC(=O)N[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000563918450 459769526 /nfs/dbraw/zinc/76/95/26/459769526.db2.gz ZKTWJWSHTHQAPY-MRXNPFEDSA-N -1 0 326.352 3.199 20 30 EGEDRM N#CC(=C([O-])c1cnn(C2CC2)c1)c1nc2cc(F)ccc2s1 ZINC000528945858 459818989 /nfs/dbraw/zinc/81/89/89/459818989.db2.gz HPXULFSNLXJFIJ-GFCCVEGCSA-N -1 0 326.356 3.457 20 30 EGEDRM COCCCn1cc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)cn1 ZINC000529010694 459820950 /nfs/dbraw/zinc/82/09/50/459820950.db2.gz UNZSBSWMWBFKLM-CYBMUJFWSA-N -1 0 346.456 3.164 20 30 EGEDRM CC(C)(C)c1noc(-c2ccccc2C([O-])=C(C#N)c2ccncn2)n1 ZINC000545445499 459832783 /nfs/dbraw/zinc/83/27/83/459832783.db2.gz GBNAEWPCZRHLFQ-AWEZNQCLSA-N -1 0 347.378 3.314 20 30 EGEDRM Cc1cccc2sc([N-]S(=O)(=O)c3cccc(CC#N)c3)nc21 ZINC000589585992 460106098 /nfs/dbraw/zinc/10/60/98/460106098.db2.gz VEQWXUFROAPJMF-UHFFFAOYSA-N -1 0 343.433 3.472 20 30 EGEDRM CCCCCn1nc(C)cc1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000589585636 460106750 /nfs/dbraw/zinc/10/67/50/460106750.db2.gz IVPLZABXWLJIRM-UHFFFAOYSA-N -1 0 346.456 3.249 20 30 EGEDRM C[C@H](NC(=O)N=c1[n-]nc(C(C)(C)C)s1)c1cccc(C#N)c1 ZINC000610322432 460119690 /nfs/dbraw/zinc/11/96/90/460119690.db2.gz OHIUUTNAIXCLOS-JTQLQIEISA-N -1 0 329.429 3.012 20 30 EGEDRM Cc1ccc(CN(CC(C)C)C(=O)N=c2[n-]n(C)cc2C#N)c(C)c1 ZINC000602889690 460173563 /nfs/dbraw/zinc/17/35/63/460173563.db2.gz ZJOOKNXDSYVYAA-UHFFFAOYSA-N -1 0 339.443 3.021 20 30 EGEDRM C[C@@H]1CN(C(=O)N[C@H](CCCC#N)c2ccccc2)CC[C@@H]1C(=O)[O-] ZINC000599863980 460352123 /nfs/dbraw/zinc/35/21/23/460352123.db2.gz KFVJWPGWELQIMF-HYVNUMGLSA-N -1 0 343.427 3.174 20 30 EGEDRM CCCc1nc(C)c([N-]S(=O)(=O)c2cccc(CC#N)c2)s1 ZINC000619463888 460363020 /nfs/dbraw/zinc/36/30/20/460363020.db2.gz SHKPMRMYEOGHJJ-UHFFFAOYSA-N -1 0 335.454 3.271 20 30 EGEDRM COc1cc(Cl)ccc1S(=O)(=O)[N-]c1cc(C#N)ccc1C ZINC000604496267 460436339 /nfs/dbraw/zinc/43/63/39/460436339.db2.gz UKTBLXPGPBNZBC-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM N#Cc1ccsc1NC(=O)C[C@@]1(C(=O)[O-])CCCc2ccccc21 ZINC000601982588 460970295 /nfs/dbraw/zinc/97/02/95/460970295.db2.gz IGACAQMYQNVNLI-SFHVURJKSA-N -1 0 340.404 3.307 20 30 EGEDRM Cc1csc(NC(=O)[C@@](C)(CC(=O)[O-])c2ccsc2)c1C#N ZINC000601982842 460970463 /nfs/dbraw/zinc/97/04/63/460970463.db2.gz NBWVTKUPPROMKR-HNNXBMFYSA-N -1 0 334.422 3.361 20 30 EGEDRM C[C@H](S[C@@H](C)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)C(=O)[O-] ZINC000601986325 460972826 /nfs/dbraw/zinc/97/28/26/460972826.db2.gz UAZZAKGINKRZHI-YUMQZZPRSA-N -1 0 346.330 3.110 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)CCc1cccc(OC2CCCC2)c1)C(=O)[O-] ZINC000630326126 461095335 /nfs/dbraw/zinc/09/53/35/461095335.db2.gz NLECURBNPBBKJK-GOSISDBHSA-N -1 0 345.439 3.476 20 30 EGEDRM C=CCC[C@H](NC(=O)Nc1ccc(OCCC)c(OC)c1)C(=O)[O-] ZINC000630553414 461186007 /nfs/dbraw/zinc/18/60/07/461186007.db2.gz RVABLASXUZSIPW-ZDUSSCGKSA-N -1 0 336.388 3.025 20 30 EGEDRM N#CC(=C([O-])c1cnn(CC2CC2)c1)c1nc(-c2ccncc2)cs1 ZINC000633899274 461320553 /nfs/dbraw/zinc/32/05/53/461320553.db2.gz FZUQUHJEBZFJJJ-OAHLLOKOSA-N -1 0 349.419 3.302 20 30 EGEDRM C=CCOc1c(Cl)cc(CN=c2[n-]nc(C(F)F)o2)cc1OC ZINC000630953740 461433295 /nfs/dbraw/zinc/43/32/95/461433295.db2.gz QCKDVPAPHMKJHU-UHFFFAOYSA-N -1 0 345.733 3.268 20 30 EGEDRM C=CCCO[C@H](C)C(=O)N[C@H](CC(=O)[O-])c1cccc2ccccc21 ZINC000263162061 534784047 /nfs/dbraw/zinc/78/40/47/534784047.db2.gz VNCCIFYNYNJQGF-RDTXWAMCSA-N -1 0 341.407 3.453 20 30 EGEDRM O=C1Nc2cccc(Cl)c2C1=N[N-]c1nc(-c2ccccc2)no1 ZINC000726738482 574569283 /nfs/dbraw/zinc/56/92/83/574569283.db2.gz UZMFYKVSNPMYTR-UHFFFAOYSA-N -1 0 339.742 3.158 20 30 EGEDRM O=C([O-])COc1ccccc1CN=Nc1ccc([N+](=O)[O-])cc1Cl ZINC000727651553 574681176 /nfs/dbraw/zinc/68/11/76/574681176.db2.gz DWROVCSUTQESCS-UHFFFAOYSA-N -1 0 349.730 3.158 20 30 EGEDRM CCn1nc(C)c(/C=C/C(=O)c2cccc(O[C@@H](C)C(=O)[O-])c2)c1C ZINC000727974927 574707595 /nfs/dbraw/zinc/70/75/95/574707595.db2.gz OCMBNZWBJSKJST-HBWSCVEGSA-N -1 0 342.395 3.268 20 30 EGEDRM O=C([O-])C(=O)/C(=C/c1cccnc1Cl)c1ccc2ccccc2n1 ZINC000728695277 574766777 /nfs/dbraw/zinc/76/67/77/574766777.db2.gz TZVGRLIJHYPYLB-JLHYYAGUSA-N -1 0 338.750 3.478 20 30 EGEDRM Cc1cc(COc2ccc(C=NNCC(F)F)cc2)oc1C(=O)[O-] ZINC000740617691 574780432 /nfs/dbraw/zinc/78/04/32/574780432.db2.gz FHVTWGDRYWIQOM-UHFFFAOYSA-N -1 0 338.310 3.054 20 30 EGEDRM COc1cc(/C=C2\Cc3c(cccc3C)C2=O)ccc1OCC(=O)[O-] ZINC000729151072 574818926 /nfs/dbraw/zinc/81/89/26/574818926.db2.gz ONAWMAFCWIGXAQ-RIYZIHGNSA-N -1 0 338.359 3.289 20 30 EGEDRM COCCOc1cccc(F)c1C(=O)/C=C/c1ccc(C(=O)[O-])cc1 ZINC000729240691 574831815 /nfs/dbraw/zinc/83/18/15/574831815.db2.gz WPCFKUJACWJMMP-JXMROGBWSA-N -1 0 344.338 3.445 20 30 EGEDRM Cc1ccccc1-c1cccc(C=Nn2c(=O)c(C)n[n-]c2=S)c1 ZINC000729635756 574874655 /nfs/dbraw/zinc/87/46/55/574874655.db2.gz LBZIDGJHZYDVAQ-UHFFFAOYSA-N -1 0 336.420 3.093 20 30 EGEDRM O=C([O-])COc1cccc(/C=C2/CCOc3ccc(F)cc3C2=O)c1 ZINC000733206926 575320575 /nfs/dbraw/zinc/32/05/75/575320575.db2.gz SOEJCPOEBVJCTF-JYRVWZFOSA-N -1 0 342.322 3.338 20 30 EGEDRM COc1ccc(C=NNc2cccc(Cl)c2)c(OCC(=O)[O-])c1 ZINC000734362648 575473997 /nfs/dbraw/zinc/47/39/97/575473997.db2.gz RVDLHWKQFZCFII-UHFFFAOYSA-N -1 0 334.759 3.258 20 30 EGEDRM C=CCN1C(=O)N[C@H](c2ccc(OCC(C)C)cc2)C(C(=O)[O-])=C1C ZINC000736106854 575896940 /nfs/dbraw/zinc/89/69/40/575896940.db2.gz MSSNVGYEQSZMRN-QGZVFWFLSA-N -1 0 344.411 3.332 20 30 EGEDRM C#CCOc1ccccc1CNC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000736088630 575898010 /nfs/dbraw/zinc/89/80/10/575898010.db2.gz XSVRFCRSRIJKJL-UHFFFAOYSA-N -1 0 338.363 3.027 20 30 EGEDRM C#CCOc1ccc(NC(=O)N[C@@H](CC(=O)[O-])c2ccccc2)cc1 ZINC000736089185 575898265 /nfs/dbraw/zinc/89/82/65/575898265.db2.gz HNCUYIQNTYBCCV-KRWDZBQOSA-N -1 0 338.363 3.036 20 30 EGEDRM C=C(C)CN(CC)C(=O)[C@@H](C)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000736095015 575898849 /nfs/dbraw/zinc/89/88/49/575898849.db2.gz DMMDXFPCZDKDQD-CQSZACIVSA-N -1 0 333.432 3.021 20 30 EGEDRM C=CC1CCN(C(=O)Nc2cccc(CSCC(=O)[O-])c2)CC1 ZINC000736096065 575899256 /nfs/dbraw/zinc/89/92/56/575899256.db2.gz HLHCJHRCTNRDRY-UHFFFAOYSA-N -1 0 334.441 3.434 20 30 EGEDRM C=CCn1c(C)cc(C(=O)COC(=O)c2ccccc2C(=O)[O-])c1C ZINC000736116906 575901027 /nfs/dbraw/zinc/90/10/27/575901027.db2.gz DQDNMDSBHQGXFN-UHFFFAOYSA-N -1 0 341.363 3.029 20 30 EGEDRM CC(=O)Nc1cc(N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)ccc1Cl ZINC000736160867 575905898 /nfs/dbraw/zinc/90/58/98/575905898.db2.gz MJDVCOJJPAKJAP-MRXNPFEDSA-N -1 0 343.770 3.408 20 30 EGEDRM CC(C)c1ccc(NC(=O)CNc2ccc(C#N)cc2)c(C(=O)[O-])c1 ZINC000736514774 575975689 /nfs/dbraw/zinc/97/56/89/575975689.db2.gz ABZPOLAQOARATG-UHFFFAOYSA-N -1 0 337.379 3.430 20 30 EGEDRM C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cccc(C(=O)[O-])n1 ZINC000736545466 575982044 /nfs/dbraw/zinc/98/20/44/575982044.db2.gz OZZVRFRGZWXSOB-NSHDSACASA-N -1 0 341.392 3.426 20 30 EGEDRM CN(CCCC(=O)N(Cc1ccco1)c1ccccc1C#N)C(=O)[O-] ZINC000737418045 576224354 /nfs/dbraw/zinc/22/43/54/576224354.db2.gz MZIKKXJLDLSQMQ-UHFFFAOYSA-N -1 0 341.367 3.074 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)[C@@H](C)Cc1ccc(Cl)cc1Cl ZINC000737527271 576241055 /nfs/dbraw/zinc/24/10/55/576241055.db2.gz IUXCSLATTFKSMK-JTQLQIEISA-N -1 0 330.211 3.271 20 30 EGEDRM Cc1ncccc1/C=C1\CN(C(=O)[O-])C/C(=C/c2cccnc2C)C1=O ZINC000738369995 576319074 /nfs/dbraw/zinc/31/90/74/576319074.db2.gz NQYAVHGRIXZJNS-BUOZRGFLSA-N -1 0 349.390 3.123 20 30 EGEDRM Cc1ncccc1/C=C1\CN(C(=O)[O-])C/C(=C\c2cccnc2C)C1=O ZINC000738369994 576319136 /nfs/dbraw/zinc/31/91/36/576319136.db2.gz NQYAVHGRIXZJNS-BEQMOXJMSA-N -1 0 349.390 3.123 20 30 EGEDRM Cc1ccc(N(CCC#N)C(=O)[C@@H](C)SC[C@H](C)C(=O)[O-])cc1 ZINC000738608142 576341451 /nfs/dbraw/zinc/34/14/51/576341451.db2.gz CWNABBUUUYIOQH-UONOGXRCSA-N -1 0 334.441 3.084 20 30 EGEDRM N#Cc1cc(-c2ccccc2)sc1NC(=O)CCCNC(=O)[O-] ZINC000739092752 576377602 /nfs/dbraw/zinc/37/76/02/576377602.db2.gz IZFLZWPLDLGGPZ-UHFFFAOYSA-N -1 0 329.381 3.273 20 30 EGEDRM N#Cc1c(NC(=O)CCCNC(=O)[O-])sc2c1CCCCCC2 ZINC000739093928 576377639 /nfs/dbraw/zinc/37/76/39/576377639.db2.gz VIJJWXCRZCFKAO-UHFFFAOYSA-N -1 0 335.429 3.265 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)[C@H]2CCCc3ccccc32)C(=O)[O-])cc1 ZINC000739109529 576378462 /nfs/dbraw/zinc/37/84/62/576378462.db2.gz LSNVUIIGZDQDKO-ROUUACIJSA-N -1 0 335.359 3.347 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)c2cc3cc(F)ccc3o2)C(=O)[O-])cc1 ZINC000739115885 576378731 /nfs/dbraw/zinc/37/87/31/576378731.db2.gz WDGCJQAYGRIEQS-INIZCTEOSA-N -1 0 339.278 3.426 20 30 EGEDRM N#Cc1ccc([C@@H](OC(=O)Cc2ccc3c(c2)CCCC3)C(=O)[O-])cc1 ZINC000739114312 576378733 /nfs/dbraw/zinc/37/87/33/576378733.db2.gz GDWASWDLJXXEHZ-HXUWFJFHSA-N -1 0 349.386 3.349 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)c2cc3c(cccc3F)[nH]2)C(=O)[O-])cc1 ZINC000739116011 576378778 /nfs/dbraw/zinc/37/87/78/576378778.db2.gz XHFPWBUJEVMTEM-INIZCTEOSA-N -1 0 338.294 3.161 20 30 EGEDRM N#Cc1ccsc1C(=O)Nc1ccc(OCCCC(=O)[O-])cc1 ZINC000739142340 576379524 /nfs/dbraw/zinc/37/95/24/576379524.db2.gz KXIPWZPKVCQBKN-UHFFFAOYSA-N -1 0 330.365 3.116 20 30 EGEDRM O=C([O-])C1CCC(/N=C\c2cc(Br)ccc2O)CC1 ZINC000739560946 576429457 /nfs/dbraw/zinc/42/94/57/576429457.db2.gz SHXPGYVQGLCVQD-PXNMLYILSA-N -1 0 326.190 3.217 20 30 EGEDRM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1scnc1Cl ZINC000744936207 576837300 /nfs/dbraw/zinc/83/73/00/576837300.db2.gz OSWZELLAEYGFEI-SECBINFHSA-N -1 0 349.799 3.156 20 30 EGEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)NC1(C(=O)[O-])CCCC1 ZINC000817728016 597205104 /nfs/dbraw/zinc/20/51/04/597205104.db2.gz UXXGJVCFRHXOLR-LBPRGKRZSA-N -1 0 347.440 3.457 20 30 EGEDRM C=CCN(Cc1cccs1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000817681091 597231008 /nfs/dbraw/zinc/23/10/08/597231008.db2.gz QBSWLESSLVOSGO-UHFFFAOYSA-N -1 0 330.409 3.344 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(CNc2ccccc2)cc1 ZINC000819849262 597652896 /nfs/dbraw/zinc/65/28/96/597652896.db2.gz YKDBJDHYHKQETK-LJQANCHMSA-N -1 0 337.379 3.242 20 30 EGEDRM COc1cc(C(=O)/C=C/c2cccc(C(=O)[O-])c2)c(OC)cc1O ZINC000774134568 598201786 /nfs/dbraw/zinc/20/17/86/598201786.db2.gz DAUGPUPEMTUSRQ-VOTSOKGWSA-N -1 0 328.320 3.004 20 30 EGEDRM CC(C)Sc1ccc([C@H](C)NC(=O)[C@](C)(C#N)CC(=O)[O-])cc1 ZINC000820036636 598226862 /nfs/dbraw/zinc/22/68/62/598226862.db2.gz IGSZEAPUVHWIQL-SJCJKPOMSA-N -1 0 334.441 3.369 20 30 EGEDRM C#CCN(Cc1ccc(F)cc1)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000238061045 600042020 /nfs/dbraw/zinc/04/20/20/600042020.db2.gz HHAIVBNHUJZFQT-UHFFFAOYSA-N -1 0 339.366 3.119 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)[C@H]2C[C@H]2C2CCCCC2)C(=O)[O-])cc1 ZINC000833071836 600697405 /nfs/dbraw/zinc/69/74/05/600697405.db2.gz JCQIAESGJQIJFZ-ULQDDVLXSA-N -1 0 327.380 3.444 20 30 EGEDRM N#CCCCC[S@@](=O)Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000833065441 600830324 /nfs/dbraw/zinc/83/03/24/600830324.db2.gz CZYOHPYUEXFYNQ-HSZRJFAPSA-N -1 0 348.449 3.451 20 30 EGEDRM CCOc1ccc(N(CCC#N)C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000830080026 600838363 /nfs/dbraw/zinc/83/83/63/600838363.db2.gz DMBTWOAHKKIDDN-GJZGRUSLSA-N -1 0 344.411 3.223 20 30 EGEDRM N#Cc1cccc([C@@H](Nc2cccc(Cn3cccn3)c2)C(=O)[O-])c1 ZINC000833074881 601300049 /nfs/dbraw/zinc/30/00/49/601300049.db2.gz FYTHJCXSOCSPGA-GOSISDBHSA-N -1 0 332.363 3.041 20 30 EGEDRM N#Cc1cccc([C@H](NCc2coc(-c3ccccc3)n2)C(=O)[O-])c1 ZINC000833076254 601306373 /nfs/dbraw/zinc/30/63/73/601306373.db2.gz STKINZOPTOWKHD-KRWDZBQOSA-N -1 0 333.347 3.129 20 30 EGEDRM CCOC(=O)c1oc2c(c1C)C(=O)/C(=C/c1ccc(C(=O)[O-])[nH]1)CC2 ZINC000829895153 601331232 /nfs/dbraw/zinc/33/12/32/601331232.db2.gz HKSXLLLVDGXYLU-CSKARUKUSA-N -1 0 343.335 3.004 20 30 EGEDRM O=C([O-])c1ccc(CN=Nc2ncc(C(F)(F)F)cc2Cl)[nH]1 ZINC000749807958 601335978 /nfs/dbraw/zinc/33/59/78/601335978.db2.gz RRBOBJOUFFSWCF-UHFFFAOYSA-N -1 0 332.669 3.226 20 30 EGEDRM COc1ccc(Cl)cc1C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832367531 601343541 /nfs/dbraw/zinc/34/35/41/601343541.db2.gz HJLYIKXUZZRSMS-HNNXBMFYSA-N -1 0 345.738 3.203 20 30 EGEDRM N#Cc1cccc([C@H](OC(=O)c2ccc3cc(O)ccc3c2)C(=O)[O-])c1 ZINC000833077669 601348041 /nfs/dbraw/zinc/34/80/41/601348041.db2.gz YRMNLUYSSRSTMP-SFHVURJKSA-N -1 0 347.326 3.400 20 30 EGEDRM Cc1ccc2c(c1)[nH]cc2C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832959653 601350183 /nfs/dbraw/zinc/35/01/83/601350183.db2.gz IERWGRCPNXZWTL-QGZVFWFLSA-N -1 0 334.331 3.331 20 30 EGEDRM COc1cccc([C@H](C)C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000832527861 601350397 /nfs/dbraw/zinc/35/03/97/601350397.db2.gz DCVNKTVKTCVTPQ-YVEFUNNKSA-N -1 0 339.347 3.039 20 30 EGEDRM N#Cc1cccc([C@H](OC(=O)c2c[nH]c3cc(F)ccc32)C(=O)[O-])c1 ZINC000833077628 601350677 /nfs/dbraw/zinc/35/06/77/601350677.db2.gz XUNHLZFTQYMTMR-INIZCTEOSA-N -1 0 338.294 3.161 20 30 EGEDRM COc1ccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)c(Cl)c1 ZINC000832213509 601352663 /nfs/dbraw/zinc/35/26/63/601352663.db2.gz PQOGRCZAIRORKV-OAHLLOKOSA-N -1 0 345.738 3.203 20 30 EGEDRM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(C(=O)[O-])s1 ZINC000833063850 601427068 /nfs/dbraw/zinc/42/70/68/601427068.db2.gz BNINNCBSRFHVKV-KBPBESRZSA-N -1 0 340.404 3.358 20 30 EGEDRM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(C(=O)[O-])s1 ZINC000833063851 601427077 /nfs/dbraw/zinc/42/70/77/601427077.db2.gz BNINNCBSRFHVKV-KGLIPLIRSA-N -1 0 340.404 3.358 20 30 EGEDRM Cc1c(C(=O)[O-])c2cc(OC(=O)Cc3ccc(C#N)cc3)ccc2n1C ZINC000832852259 601449955 /nfs/dbraw/zinc/44/99/55/601449955.db2.gz QJOVDKKBFHJOJB-UHFFFAOYSA-N -1 0 348.358 3.205 20 30 EGEDRM C=CCOCCCC(=O)Oc1ccc2c(c1)c(C(=O)[O-])c(C)n2C ZINC000825699304 601450339 /nfs/dbraw/zinc/45/03/39/601450339.db2.gz WGYQKCBZJWWZSF-UHFFFAOYSA-N -1 0 331.368 3.073 20 30 EGEDRM CCc1oc(C(=O)[O-])cc1COC(=O)CCc1ccc(C#N)cc1 ZINC000830383570 601460091 /nfs/dbraw/zinc/46/00/91/601460091.db2.gz CPGLHASSXHWGTL-UHFFFAOYSA-N -1 0 327.336 3.088 20 30 EGEDRM N#Cc1ccccc1/C=C/C(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000833075172 601586835 /nfs/dbraw/zinc/58/68/35/601586835.db2.gz NAELLOYFPPHRJT-PYUISTEWSA-N -1 0 340.766 3.167 20 30 EGEDRM N#Cc1cc(F)c(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)c(F)c1 ZINC000833068896 601680242 /nfs/dbraw/zinc/68/02/42/601680242.db2.gz PDYAJLKLIJQOCH-UHFFFAOYSA-N -1 0 336.681 3.440 20 30 EGEDRM Cc1cc(C#N)ccc1Oc1ccc(C(=O)O[C@@H](C)C(=O)[O-])cc1 ZINC000832859166 601748787 /nfs/dbraw/zinc/74/87/87/601748787.db2.gz LVAYJXRNNAZMKW-LBPRGKRZSA-N -1 0 325.320 3.289 20 30 EGEDRM O=C([O-])c1cc(/C=C2\COc3ccc(Br)cc3C2=O)c[nH]1 ZINC000833298084 601792551 /nfs/dbraw/zinc/79/25/51/601792551.db2.gz MZVOVGBDHVYQJC-YCRREMRBSA-N -1 0 348.152 3.134 20 30 EGEDRM C[C@@H]1CN([C@H](C(=O)[O-])c2cccc(C#N)c2)C[C@@H](c2ccsc2)O1 ZINC000828411847 601886556 /nfs/dbraw/zinc/88/65/56/601886556.db2.gz KTZGFTSRNUCVEO-DQYPLSBCSA-N -1 0 342.420 3.207 20 30 EGEDRM Cc1ccc(NCC(=O)N(CCC#N)c2ccccc2)cc1C(=O)[O-] ZINC000832949469 601909193 /nfs/dbraw/zinc/90/91/93/601909193.db2.gz ZDOUWFAFGQUIOX-UHFFFAOYSA-N -1 0 337.379 3.052 20 30 EGEDRM N#CCc1ccc(NC(=O)N[C@H]2CCCCCC[C@H]2C(=O)[O-])cc1 ZINC000833069211 602028611 /nfs/dbraw/zinc/02/86/11/602028611.db2.gz PSIQQQKDZURYOU-CVEARBPZSA-N -1 0 329.400 3.298 20 30 EGEDRM C=CCCOCC(=O)O[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000825676126 602084163 /nfs/dbraw/zinc/08/41/63/602084163.db2.gz VWOUBOHSFFKPRS-ZDUSSCGKSA-N -1 0 333.167 3.255 20 30 EGEDRM C[C@H](CC(=O)[O-])C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 ZINC000827317773 602097795 /nfs/dbraw/zinc/09/77/95/602097795.db2.gz OJNRJLKYMSDBCP-CYBMUJFWSA-N -1 0 338.363 3.187 20 30 EGEDRM COc1ccc(C(=O)/C=C/c2ccc(O[C@@H](C)C(=O)[O-])cc2)cc1 ZINC000794692848 602105659 /nfs/dbraw/zinc/10/56/59/602105659.db2.gz YDKCPZNNAPBEMW-YFTXEMMHSA-N -1 0 326.348 3.443 20 30 EGEDRM C=CCNC(=O)Nc1cc(C(=O)[O-])ccc1OCc1ccccc1 ZINC000825687198 602112115 /nfs/dbraw/zinc/11/21/15/602112115.db2.gz DJNFYJYHVVGLLT-UHFFFAOYSA-N -1 0 326.352 3.271 20 30 EGEDRM COc1ccc2c(c1)C(=O)/C(=C\c1ccc(O[C@@H](C)C(=O)[O-])cc1)C2 ZINC000794700249 602112346 /nfs/dbraw/zinc/11/23/46/602112346.db2.gz ICKHMRAWRINGHK-ZENNRRHLSA-N -1 0 338.359 3.370 20 30 EGEDRM CN(C)c1nc2cc(N[C@H](C(=O)[O-])c3ccc(C#N)cc3)ccc2o1 ZINC000830651677 602177920 /nfs/dbraw/zinc/17/79/20/602177920.db2.gz ZEWACAPYPJOVLJ-INIZCTEOSA-N -1 0 336.351 3.003 20 30 EGEDRM C[C@H](CC#N)N(C)C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000827213199 602230391 /nfs/dbraw/zinc/23/03/91/602230391.db2.gz KWECFJFALQNTBG-GFCCVEGCSA-N -1 0 341.367 3.069 20 30 EGEDRM Cc1cc(N(C)Cc2ccc(C#N)cc2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832889362 602313744 /nfs/dbraw/zinc/31/37/44/602313744.db2.gz QRGLZGAXJNIPDN-UHFFFAOYSA-N -1 0 325.324 3.110 20 30 EGEDRM C=C(C)[C@H](CC(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1)OCC ZINC000833368041 604562933 /nfs/dbraw/zinc/56/29/33/604562933.db2.gz ZPOUCCNYUTYFHS-GJZGRUSLSA-N -1 0 339.819 3.343 20 30 EGEDRM C[C@H]1CN(Cc2cccc(C(=O)[O-])c2C#N)C[C@H](c2ccccc2)O1 ZINC000833631058 604605095 /nfs/dbraw/zinc/60/50/95/604605095.db2.gz ZOJMEKQINKLINO-IFXJQAMLSA-N -1 0 336.391 3.218 20 30 EGEDRM CC(C)c1nc([C@@H]2CCCN2Cc2cccc(C(=O)[O-])c2C#N)no1 ZINC000833512288 604607290 /nfs/dbraw/zinc/60/72/90/604607290.db2.gz KPQBAHGUVAYOEF-HNNXBMFYSA-N -1 0 340.383 3.100 20 30 EGEDRM COCCOc1ccccc1/C=C\C(=O)c1ccc(C(=O)[O-])cc1 ZINC000831783432 604627033 /nfs/dbraw/zinc/62/70/33/604627033.db2.gz LCVHIENPWHCNLI-KHPPLWFESA-N -1 0 326.348 3.306 20 30 EGEDRM COc1cc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2)cc(OC)c1O ZINC000831975418 604629569 /nfs/dbraw/zinc/62/95/69/604629569.db2.gz FKMOHAZBGPYRAK-FPYGCLRLSA-N -1 0 328.320 3.004 20 30 EGEDRM CCN(CC)c1ncc(C=[NH+][N-]c2ccc(C(=O)[O-])cc2OC)s1 ZINC000756899200 604631056 /nfs/dbraw/zinc/63/10/56/604631056.db2.gz SFMRKJHMYGONGH-UHFFFAOYSA-N -1 0 348.428 3.142 20 30 EGEDRM CCOc1ccc(C=NNc2ccc(C(=O)[O-])cc2OC)cc1OC ZINC000756905846 604631077 /nfs/dbraw/zinc/63/10/77/604631077.db2.gz MQPXUXBWIBAQTQ-UHFFFAOYSA-N -1 0 344.367 3.247 20 30 EGEDRM C#CC[C@@H](NC(=O)Nc1ccc(F)c(C(=O)[O-])c1)c1ccccc1 ZINC000833360060 604657640 /nfs/dbraw/zinc/65/76/40/604657640.db2.gz BCLOLEBSBYMTMM-MRXNPFEDSA-N -1 0 326.327 3.410 20 30 EGEDRM C#CC[C@H](NC(=O)Nc1ccc(F)c(C(=O)[O-])c1)c1ccccc1 ZINC000833360059 604657742 /nfs/dbraw/zinc/65/77/42/604657742.db2.gz BCLOLEBSBYMTMM-INIZCTEOSA-N -1 0 326.327 3.410 20 30 EGEDRM C=CCc1cc([N+](=O)[O-])ccc1OCC(=O)c1cccc(C(=O)[O-])c1 ZINC000833379382 604669904 /nfs/dbraw/zinc/66/99/04/604669904.db2.gz BKQINOWBSPLGBV-UHFFFAOYSA-N -1 0 341.319 3.283 20 30 EGEDRM CN(Cc1cc(C#N)cs1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000833694530 604675912 /nfs/dbraw/zinc/67/59/12/604675912.db2.gz LFIQFXMEYUXIKD-AWEZNQCLSA-N -1 0 340.326 3.295 20 30 EGEDRM N#CCCCOc1cccc(NC(=O)Cc2cccc(C(=O)[O-])c2)c1 ZINC000833759989 604716620 /nfs/dbraw/zinc/71/66/20/604716620.db2.gz DFYYNUWPOCJADI-UHFFFAOYSA-N -1 0 338.363 3.249 20 30 EGEDRM C#CCOc1cc(F)ccc1NCc1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC000833366409 604775072 /nfs/dbraw/zinc/77/50/72/604775072.db2.gz VVQKNINJVNGGED-CYBMUJFWSA-N -1 0 343.354 3.302 20 30 EGEDRM O=C([O-])c1ccc(C(=O)OCC#Cc2ccc(Cl)cc2)cc1F ZINC000833350449 604851627 /nfs/dbraw/zinc/85/16/27/604851627.db2.gz WOJITHLUXMFJHT-UHFFFAOYSA-N -1 0 332.714 3.386 20 30 EGEDRM CC(C)(Oc1ccc(C#N)cc1)C(=O)Oc1ccc(NC(=O)[O-])cc1 ZINC000824038785 604958530 /nfs/dbraw/zinc/95/85/30/604958530.db2.gz MCVOCPGXZCLREJ-UHFFFAOYSA-N -1 0 340.335 3.411 20 30 EGEDRM CC(C)(CC(=O)[O-])CC(=O)OCc1ccc(C#N)cc1OC(F)F ZINC000833454458 605034325 /nfs/dbraw/zinc/03/43/25/605034325.db2.gz ARWJIFLZMUFFSR-UHFFFAOYSA-N -1 0 341.310 3.094 20 30 EGEDRM CC(C)(CC(=O)[O-])CC(=O)OCc1cc(Cl)ccc1OCC#N ZINC000833455391 605034381 /nfs/dbraw/zinc/03/43/81/605034381.db2.gz PDJLSJYFIRYHOE-UHFFFAOYSA-N -1 0 339.775 3.177 20 30 EGEDRM C#Cc1cccc(NC(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)c1 ZINC000833368054 605037872 /nfs/dbraw/zinc/03/78/72/605037872.db2.gz ZTRUEAJUQXMCOO-SFHVURJKSA-N -1 0 336.391 3.266 20 30 EGEDRM C=CCOc1ccc(OS(=O)(=O)c2cccc(C)c2C(=O)[O-])cc1 ZINC000833377654 605041148 /nfs/dbraw/zinc/04/11/48/605041148.db2.gz HBOLOHJZYHVOOG-UHFFFAOYSA-N -1 0 348.376 3.026 20 30 EGEDRM C=CCOc1cccnc1C(=O)O[C@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC000833378281 605077874 /nfs/dbraw/zinc/07/78/74/605077874.db2.gz CQPVHJQZGCMPCI-LLVKDONJSA-N -1 0 331.324 3.164 20 30 EGEDRM CCOc1cc(C#N)cc(Cl)c1OC(=O)CC(C)(C)CC(=O)[O-] ZINC000833660907 605102049 /nfs/dbraw/zinc/10/20/49/605102049.db2.gz HJBTURDSAOQLOZ-UHFFFAOYSA-N -1 0 339.775 3.407 20 30 EGEDRM C[C@H](CC#N)N(C)C(=O)Nc1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC000320970207 605134919 /nfs/dbraw/zinc/13/49/19/605134919.db2.gz MSBKFMLXQHOJKH-MRVPVSSYSA-N -1 0 329.278 3.169 20 30 EGEDRM Cc1nc2ccccn2c1C=NNc1ccc(C(=O)[O-])c(Cl)c1 ZINC000833757047 605157947 /nfs/dbraw/zinc/15/79/47/605157947.db2.gz VGZRAOUMUMKNKV-UHFFFAOYSA-N -1 0 328.759 3.440 20 30 EGEDRM C#CCOc1ccc(F)cc1NC(=O)NC1(CC(=O)[O-])CCCCC1 ZINC000833366505 605167391 /nfs/dbraw/zinc/16/73/91/605167391.db2.gz AIJLHBBXXCWWHQ-UHFFFAOYSA-N -1 0 348.374 3.137 20 30 EGEDRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2ccc(C3(C#N)CC3)cc2)C1 ZINC000833417788 605233472 /nfs/dbraw/zinc/23/34/72/605233472.db2.gz FUZBFSWEQUHYIH-INIZCTEOSA-N -1 0 340.423 3.205 20 30 EGEDRM CN(Cc1cc(F)c(F)c(F)c1)Cc1cccc(C(=O)[O-])c1C#N ZINC000833694277 605247046 /nfs/dbraw/zinc/24/70/46/605247046.db2.gz OEPXKQPERFPPQZ-UHFFFAOYSA-N -1 0 334.297 3.306 20 30 EGEDRM CC(N=Nc1cc(F)c(F)cc1F)c1ccccc1OCC(=O)[O-] ZINC000833386823 605330295 /nfs/dbraw/zinc/33/02/95/605330295.db2.gz XLQQFFWBJWITIZ-UHFFFAOYSA-N -1 0 338.285 3.403 20 30 EGEDRM C=CCN(CCc1ccco1)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000833374149 605479444 /nfs/dbraw/zinc/47/94/44/605479444.db2.gz AXFNXNUKMOFWTM-UHFFFAOYSA-N -1 0 328.368 3.169 20 30 EGEDRM C=CCN(CCc1ccco1)C(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC000833374359 605484290 /nfs/dbraw/zinc/48/42/90/605484290.db2.gz HDPGYYQIGFNDIA-UHFFFAOYSA-N -1 0 349.412 3.016 20 30 EGEDRM O=C([O-])c1ccc(/C=C\C(=O)c2cc3c(s2)SCC(=O)N3)cc1 ZINC000779462134 605523023 /nfs/dbraw/zinc/52/30/23/605523023.db2.gz IFRYVLCXZLTBSO-UTCJRWHESA-N -1 0 345.401 3.387 20 30 EGEDRM C[C@H](Oc1ccc(/C=C/C(=O)c2ccc(C#N)cc2F)cc1)C(=O)[O-] ZINC000794709481 605783506 /nfs/dbraw/zinc/78/35/06/605783506.db2.gz BGBNWRDMMUIDGI-LHXVZLOVSA-N -1 0 339.322 3.445 20 30 EGEDRM CC(=NNCC(F)(F)F)c1cc(Br)cc(F)c1[O-] ZINC000769810863 1303178944 /nfs/dbraw/zinc/17/89/44/1303178944.db2.gz PYIOYHFSOLBHFS-UHFFFAOYSA-N -1 0 329.091 3.170 20 30 EGEDRM Cc1cc(C(=O)[N-]S(=O)(=O)c2cccs2)c(C)n1C(C)C ZINC000042242946 1291437049 /nfs/dbraw/zinc/43/70/49/1291437049.db2.gz OENDCSQBMSOSMG-UHFFFAOYSA-N -1 0 326.443 3.441 20 30 EGEDRM O=C([N-]S(=O)(=O)c1cccs1)c1ccc(OC(F)F)cc1 ZINC000042243053 1291437122 /nfs/dbraw/zinc/43/71/22/1291437122.db2.gz YNNRJRVKWRASFO-UHFFFAOYSA-N -1 0 333.337 3.043 20 30 EGEDRM Cc1cccc(CCC(=O)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000042235766 1291437127 /nfs/dbraw/zinc/43/71/27/1291437127.db2.gz FOJZGBFZFNMHTJ-UHFFFAOYSA-N -1 0 348.380 3.181 20 30 EGEDRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)c1ccc2[nH]c(C)c(C)c2c1 ZINC000042291980 1291439429 /nfs/dbraw/zinc/43/94/29/1291439429.db2.gz LMUSFXMLLHUEOL-UHFFFAOYSA-N -1 0 347.396 3.083 20 30 EGEDRM O=C([N-]S(=O)(=O)Cc1ccc(F)cc1)c1ccc(Cl)cc1F ZINC000045100255 1291505569 /nfs/dbraw/zinc/50/55/69/1291505569.db2.gz PUMJHMDLBFVEST-UHFFFAOYSA-N -1 0 345.754 3.453 20 30 EGEDRM Cc1ccc(OCCC(=O)[N-]S(=O)(=O)c2cccs2)cc1C ZINC000048449100 1291605877 /nfs/dbraw/zinc/60/58/77/1291605877.db2.gz KDYHURXMEDVNAB-UHFFFAOYSA-N -1 0 339.438 3.479 20 30 EGEDRM COCc1ccccc1C(=O)[N-]S(=O)(=O)c1cc(C)ccc1C ZINC000048472415 1291606606 /nfs/dbraw/zinc/60/66/06/1291606606.db2.gz HJYUNZWJYNCGKL-UHFFFAOYSA-N -1 0 333.409 3.143 20 30 EGEDRM CSc1ccccc1C(=O)[N-]S(=O)(=O)c1ccccc1F ZINC000048588886 1291612274 /nfs/dbraw/zinc/61/22/74/1291612274.db2.gz QDQOMOOTMNWECX-UHFFFAOYSA-N -1 0 325.386 3.241 20 30 EGEDRM Cc1ccc(OCC(=O)[N-]S(=O)(=O)c2ccccc2F)c(C)c1 ZINC000048587854 1291612448 /nfs/dbraw/zinc/61/24/48/1291612448.db2.gz JNLUHRKTXIECTP-UHFFFAOYSA-N -1 0 337.372 3.167 20 30 EGEDRM Cn1cc(S(=O)(=O)[N-]C(=O)c2ccc(C3CCCCC3)cc2)cn1 ZINC000048647650 1291614564 /nfs/dbraw/zinc/61/45/64/1291614564.db2.gz HOKLPLJKXRHGBM-UHFFFAOYSA-N -1 0 347.440 3.161 20 30 EGEDRM Cc1ccc(OCC(=O)[N-]S(=O)(=O)C2CCCCC2)c(C)c1 ZINC000058073521 1291876213 /nfs/dbraw/zinc/87/62/13/1291876213.db2.gz QNRVGGGNYUFASB-UHFFFAOYSA-N -1 0 325.430 3.301 20 30 EGEDRM O=C(CCc1ccccc1)[N-]S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000058150881 1291880739 /nfs/dbraw/zinc/88/07/39/1291880739.db2.gz SGAOFDKMXGRPRB-UHFFFAOYSA-N -1 0 338.816 3.154 20 30 EGEDRM O=C(C=Cc1ccc(Cl)cc1)[N-]S(=O)(=O)N1CCCCC1 ZINC000064619878 1292061327 /nfs/dbraw/zinc/06/13/27/1292061327.db2.gz YKVIQECQYGNKTA-RMKNXTFCSA-N -1 0 328.821 3.040 20 30 EGEDRM CCCCS(=O)(=O)[N-]C(=O)c1csc(-c2ccccc2F)n1 ZINC000064666889 1292061944 /nfs/dbraw/zinc/06/19/44/1292061944.db2.gz HFSRGCPYXBFZKV-UHFFFAOYSA-N -1 0 342.417 3.384 20 30 EGEDRM CCc1nc(CC(=O)[N-]S(=O)(=O)C=Cc2ccccc2)cs1 ZINC000066504049 1292118806 /nfs/dbraw/zinc/11/88/06/1292118806.db2.gz KYFYAAVHZOBUHE-HJWRWDBZSA-N -1 0 336.438 3.205 20 30 EGEDRM N#CC(=C([O-])c1ccc(N2CCOC2=O)cc1)c1nc2ccccc2o1 ZINC000066516655 1292119851 /nfs/dbraw/zinc/11/98/51/1292119851.db2.gz JYBRATPYVDJLCZ-CQSZACIVSA-N -1 0 347.330 3.274 20 30 EGEDRM C[C@@H](Cc1cccc(F)c1)C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000069284038 1292239100 /nfs/dbraw/zinc/23/91/00/1292239100.db2.gz LKWOPQAFVPGUMA-LBPRGKRZSA-N -1 0 346.383 3.221 20 30 EGEDRM COCCCC(=O)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000069641935 1292246508 /nfs/dbraw/zinc/24/65/08/1292246508.db2.gz QTKUGSQITQDGRG-UHFFFAOYSA-N -1 0 332.230 3.127 20 30 EGEDRM CO[C@@H](C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC2)c1ccccc1 ZINC000069620980 1292246734 /nfs/dbraw/zinc/24/67/34/1292246734.db2.gz JUYXHRTWZUOAAK-QGZVFWFLSA-N -1 0 345.420 3.208 20 30 EGEDRM O=C([N-]S(=O)(=O)C=Cc1ccccc1)[C@@H]1COc2ccccc21 ZINC000073087111 1292305498 /nfs/dbraw/zinc/30/54/98/1292305498.db2.gz XQYFEHWZKRDITB-AUECHBEKSA-N -1 0 329.377 3.120 20 30 EGEDRM N#Cc1cccc(S(=O)(=O)[N-]C(=O)c2csc3ccccc23)c1 ZINC000075799598 1292411057 /nfs/dbraw/zinc/41/10/57/1292411057.db2.gz WTZYPZZMKVOUPQ-UHFFFAOYSA-N -1 0 342.401 3.466 20 30 EGEDRM O=C([N-]S(=O)(=O)c1cccs1)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000076756676 1292440266 /nfs/dbraw/zinc/44/02/66/1292440266.db2.gz IJGSSXFGVITLAG-VHSXEESVSA-N -1 0 343.376 3.475 20 30 EGEDRM C[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000076755888 1292440423 /nfs/dbraw/zinc/44/04/23/1292440423.db2.gz GOMDPZNZURTBBY-GHMZBOCLSA-N -1 0 326.374 3.066 20 30 EGEDRM CC(C)(C)c1ncc(/C=C2/CCc3occ(C(=O)[O-])c3C2=O)cn1 ZINC000828234763 1292444398 /nfs/dbraw/zinc/44/43/98/1292444398.db2.gz WWVHKJBEINHHEW-WDZFZDKYSA-N -1 0 326.352 3.278 20 30 EGEDRM CC(C)CS(=O)(=O)[N-]C(=O)c1cccc(Oc2nccs2)c1 ZINC000077868022 1292488580 /nfs/dbraw/zinc/48/85/80/1292488580.db2.gz IENSOMQVJNGQID-UHFFFAOYSA-N -1 0 340.426 3.226 20 30 EGEDRM O=C(COCc1ccccc1)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000079727660 1292572756 /nfs/dbraw/zinc/57/27/56/1292572756.db2.gz ATOFIMGKHSCMDG-UHFFFAOYSA-N -1 0 339.800 3.202 20 30 EGEDRM N#Cc1ccc(C(=O)[N-]S(=O)(=O)Cc2ccccc2Cl)cc1 ZINC000083791360 1292689898 /nfs/dbraw/zinc/68/98/98/1292689898.db2.gz OWHAOKZSJGWXMR-UHFFFAOYSA-N -1 0 334.784 3.046 20 30 EGEDRM O=C([N-]S(=O)(=O)Cc1ccccc1Cl)c1ccc(F)cc1F ZINC000083791665 1292690623 /nfs/dbraw/zinc/69/06/23/1292690623.db2.gz CWGHUWUENVSWDC-UHFFFAOYSA-N -1 0 345.754 3.453 20 30 EGEDRM O=C(Cc1ccccc1F)[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000091125602 1292820806 /nfs/dbraw/zinc/82/08/06/1292820806.db2.gz CLANWEPHIBXTRW-UHFFFAOYSA-N -1 0 349.383 3.039 20 30 EGEDRM CCCS(=O)(=O)[N-]C(=O)c1csc(Cc2ccc(C)cc2)n1 ZINC000091860855 1292843745 /nfs/dbraw/zinc/84/37/45/1292843745.db2.gz HGSGANBJBKSBEJ-UHFFFAOYSA-N -1 0 338.454 3.087 20 30 EGEDRM CCCS(=O)(=O)[N-]C(=O)c1cc(C)c(Br)cc1C ZINC000091860860 1292844643 /nfs/dbraw/zinc/84/46/43/1292844643.db2.gz IAFZLDOURAPKHA-UHFFFAOYSA-N -1 0 334.235 3.110 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)CCCSc1ccc(Cl)cc1 ZINC000092463221 1292870475 /nfs/dbraw/zinc/87/04/75/1292870475.db2.gz CUTISDSTPWYAGI-UHFFFAOYSA-N -1 0 327.833 3.312 20 30 EGEDRM C[C@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1 ZINC000114622023 1293174316 /nfs/dbraw/zinc/17/43/16/1293174316.db2.gz XPPUBAKYOOWHBA-CQSZACIVSA-N -1 0 348.468 3.111 20 30 EGEDRM CC(CCc1ccc(OCCC(=O)[O-])cc1)N=N[C@@H](C)C(F)(F)F ZINC000834998692 1293184667 /nfs/dbraw/zinc/18/46/67/1293184667.db2.gz KOBDYLSNJGXPGA-LBPRGKRZSA-N -1 0 346.349 3.389 20 30 EGEDRM CC(C)ON=C1CC(C(=O)[O-])(c2cccc(Br)c2)C1 ZINC000835003274 1293184739 /nfs/dbraw/zinc/18/47/39/1293184739.db2.gz XLOJVAKNPHZDQR-UHFFFAOYSA-N -1 0 326.190 3.346 20 30 EGEDRM C=CCC1(C(=O)[N-]S(=O)(=O)c2cccc3cnccc32)CCCC1 ZINC000835137864 1293218319 /nfs/dbraw/zinc/21/83/19/1293218319.db2.gz FFWDBIIQNHIGON-UHFFFAOYSA-N -1 0 344.436 3.176 20 30 EGEDRM CC[C@H](CC(C)C)C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000835141739 1293219059 /nfs/dbraw/zinc/21/90/59/1293219059.db2.gz JMSQRYXAHSPKAI-LLVKDONJSA-N -1 0 342.848 3.089 20 30 EGEDRM CCCCOc1ccc(C([O-])=C(C#N)C(=O)NC2CCCC2)cc1 ZINC000119708527 1293284601 /nfs/dbraw/zinc/28/46/01/1293284601.db2.gz HOACQRYGJBOXMV-QGZVFWFLSA-N -1 0 328.412 3.247 20 30 EGEDRM CC(C)c1cccc(-c2ccc(C(=O)[N-]S(=O)(=O)CCC#N)o2)c1 ZINC000835409058 1293286091 /nfs/dbraw/zinc/28/60/91/1293286091.db2.gz PTYBMKVPWWJDFF-UHFFFAOYSA-N -1 0 346.408 3.043 20 30 EGEDRM CC(C)(C)c1ncc(C([O-])=C(C#N)C(=O)NC2CCCCC2)s1 ZINC000119901669 1293293619 /nfs/dbraw/zinc/29/36/19/1293293619.db2.gz GPGOIGUHXMXIRE-LBPRGKRZSA-N -1 0 333.457 3.212 20 30 EGEDRM CCCOc1cccc(C([O-])=C(C#N)C(=O)NCc2ccccc2)c1 ZINC000126916202 1293548044 /nfs/dbraw/zinc/54/80/44/1293548044.db2.gz LWWYVYMRVFITGF-GOSISDBHSA-N -1 0 336.391 3.114 20 30 EGEDRM CC(C)NC(=O)C(C#N)=C([O-])c1cc2c(s1)-c1ccccc1CC2 ZINC000130623303 1293662949 /nfs/dbraw/zinc/66/29/49/1293662949.db2.gz WSVURHGPIREBJP-HNNXBMFYSA-N -1 0 338.432 3.361 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)C(=O)N2CCCC2)c(C)cc1Br ZINC000131133182 1293679966 /nfs/dbraw/zinc/67/99/66/1293679966.db2.gz BRAMCHCKHAOMAB-ZDUSSCGKSA-N -1 0 349.228 3.011 20 30 EGEDRM CCCCCCCC(=O)[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC000132863110 1293730683 /nfs/dbraw/zinc/73/06/83/1293730683.db2.gz QJYRGQLEZXPSHO-UHFFFAOYSA-N -1 0 333.400 3.271 20 30 EGEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2cc(C)c(C)s2)cc1 ZINC000155053705 1294081999 /nfs/dbraw/zinc/08/19/99/1294081999.db2.gz SLXVVNYSLPDLPT-HNNXBMFYSA-N -1 0 342.420 3.012 20 30 EGEDRM O=C(/C=C/c1ccc([O-])c([N+](=O)[O-])c1)c1cnn(Cc2ccccc2)c1 ZINC000157329291 1294174578 /nfs/dbraw/zinc/17/45/78/1294174578.db2.gz SPEOOIPLAVPSMB-SOFGYWHQSA-N -1 0 349.346 3.441 20 30 EGEDRM O=C(/C=C/c1cc([O-])ccc1[N+](=O)[O-])c1c(Cl)nc2ccccn21 ZINC000157314514 1294174841 /nfs/dbraw/zinc/17/48/41/1294174841.db2.gz OYIFUJIIXZZSRM-QPJJXVBHSA-N -1 0 343.726 3.498 20 30 EGEDRM COC(=O)[C@@H](C/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-])CC(C)C ZINC000172690623 1294442117 /nfs/dbraw/zinc/44/21/17/1294442117.db2.gz HZIGBEGHDGQVBT-RGOWCBCBSA-N -1 0 342.779 3.208 20 30 EGEDRM COC(=O)COc1ccc(C(=O)/C=C/c2cc(F)c([O-])c(F)c2)cc1 ZINC000175325581 1294549650 /nfs/dbraw/zinc/54/96/50/1294549650.db2.gz QVKADOGLZVWGDU-FARCUNLSSA-N -1 0 348.301 3.118 20 30 EGEDRM COc1ccc(OCCCC(=O)Nc2cc(C#N)ccc2[O-])cc1 ZINC000176396212 1294604342 /nfs/dbraw/zinc/60/43/42/1294604342.db2.gz RFCWVFXMQWUJOU-UHFFFAOYSA-N -1 0 326.352 3.070 20 30 EGEDRM CC(=O)c1ccc(OCCCC(=O)Nc2cc(C#N)ccc2[O-])cc1 ZINC000176820751 1294633262 /nfs/dbraw/zinc/63/32/62/1294633262.db2.gz IIWVTLXUYUVBKU-UHFFFAOYSA-N -1 0 338.363 3.264 20 30 EGEDRM Cc1cc(C(=O)Nc2cc(C#N)ccc2[O-])c(C)n1-c1nccs1 ZINC000176833301 1294638490 /nfs/dbraw/zinc/63/84/90/1294638490.db2.gz MYOXWLIYZKJDFL-UHFFFAOYSA-N -1 0 338.392 3.380 20 30 EGEDRM C=C[C@@H](C)OC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000187564953 1295400788 /nfs/dbraw/zinc/40/07/88/1295400788.db2.gz MMXHBAHRJBSGFI-LLVKDONJSA-N -1 0 337.422 3.280 20 30 EGEDRM C=CCCN(OCc1ccccc1)C(=O)c1n[n-]c2ccccc2c1=O ZINC000189909799 1295551087 /nfs/dbraw/zinc/55/10/87/1295551087.db2.gz YYPIFHWFZYBIKQ-UHFFFAOYSA-N -1 0 349.390 3.073 20 30 EGEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1cc2cc(F)ccc2s1 ZINC000193761512 1295906649 /nfs/dbraw/zinc/90/66/49/1295906649.db2.gz LHMUTWLXBYCVKW-ZDUSSCGKSA-N -1 0 330.384 3.422 20 30 EGEDRM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000195446678 1296068413 /nfs/dbraw/zinc/06/84/13/1296068413.db2.gz ZYZLFJFCVYSJGH-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM C=CC[C@H](NC(=O)Nc1cc(C)c(Br)c(C)c1)C(=O)[O-] ZINC000232044459 1296172171 /nfs/dbraw/zinc/17/21/71/1296172171.db2.gz HOHSJEFJXBTMTJ-NSHDSACASA-N -1 0 341.205 3.217 20 30 EGEDRM COc1ccc(O)c(C(=O)/C=C\c2ccc(N3CCOCC3)cc2)c1 ZINC000255110984 1296499304 /nfs/dbraw/zinc/49/93/04/1296499304.db2.gz XLGAITMKZKAYQR-YWEYNIOJSA-N -1 0 339.391 3.134 20 30 EGEDRM Cc1c(C(=O)/C=C\c2cc(F)c([O-])c(F)c2)cnn1-c1ccccn1 ZINC000255591317 1296550727 /nfs/dbraw/zinc/55/07/27/1296550727.db2.gz SYBCEQASONRGCA-WAYWQWQTSA-N -1 0 341.317 3.456 20 30 EGEDRM Cc1ccc(-c2ccc(C=CC([O-])=C3C(=O)C=C(C)OC3=O)o2)cc1 ZINC000255713496 1296562667 /nfs/dbraw/zinc/56/26/67/1296562667.db2.gz XEIRDJNWVRWBJO-GXVATQTDSA-N -1 0 336.343 3.483 20 30 EGEDRM C=CCCCC(=O)[N-]S(=O)(=O)c1ccc(OCC)c(C(C)C)c1 ZINC000873583322 1297609462 /nfs/dbraw/zinc/60/94/62/1297609462.db2.gz LEQCULKPIRKPQE-UHFFFAOYSA-N -1 0 339.457 3.370 20 30 EGEDRM COc1cc(/C=C2\Oc3cc(F)cc(F)c3C2=O)cc([N+](=O)[O-])c1[O-] ZINC000588450154 1298067947 /nfs/dbraw/zinc/06/79/47/1298067947.db2.gz DSPLHQPOVWGXDC-PQMHYQBVSA-N -1 0 349.245 3.203 20 30 EGEDRM C=CCc1cc(C=NNc2ccc(C(=O)[O-])cc2)cc(OC)c1O ZINC000747043881 1298714062 /nfs/dbraw/zinc/71/40/62/1298714062.db2.gz MYUMOAVHVJMHNE-UHFFFAOYSA-N -1 0 326.352 3.274 20 30 EGEDRM C=C(C)CN1C(=O)/C(=C\c2ccc([N+](=O)[O-])c([O-])c2)SC1=S ZINC000748358298 1298992195 /nfs/dbraw/zinc/99/21/95/1298992195.db2.gz SVZGFIGLMZGZLZ-WUXMJOGZSA-N -1 0 336.394 3.078 20 30 EGEDRM CCCCCCCCC(=O)[N-]S(=O)(=O)CCc1ccccc1 ZINC000748501108 1299025380 /nfs/dbraw/zinc/02/53/80/1299025380.db2.gz CVRLTOSMIMLOCB-UHFFFAOYSA-N -1 0 325.474 3.426 20 30 EGEDRM CC(=NNc1nc2cc(F)c(F)cc2[nH]1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000749613314 1299247093 /nfs/dbraw/zinc/24/70/93/1299247093.db2.gz XNBZAHCLECIDPH-UHFFFAOYSA-N -1 0 347.281 3.291 20 30 EGEDRM C[C@@H](Oc1cccc(/C=C2/Oc3ccc(F)cc3C2=O)c1)C(=O)[O-] ZINC000749746985 1299262979 /nfs/dbraw/zinc/26/29/79/1299262979.db2.gz PYDLODVPSDYXRG-LYQMGENXSA-N -1 0 328.295 3.294 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)C[C@@H]2CCC[C@@H](C)C2)n1 ZINC000750239833 1299362594 /nfs/dbraw/zinc/36/25/94/1299362594.db2.gz IBCGCWJDCCVVTM-MRVWCRGKSA-N -1 0 334.441 3.387 20 30 EGEDRM CCn1nc(C)c(C(=O)/C=C/c2cccc(OCCC(=O)[O-])c2)c1C ZINC000750909349 1299476817 /nfs/dbraw/zinc/47/68/17/1299476817.db2.gz KZJFHCZJSNONMW-CMDGGOBGSA-N -1 0 342.395 3.269 20 30 EGEDRM O=[N+]([O-])c1ccc(NN=Cc2cc([O-])ccc2[N+](=O)[O-])c(Cl)c1 ZINC000751132282 1299513976 /nfs/dbraw/zinc/51/39/76/1299513976.db2.gz AOWPJOMSGZFYNK-UHFFFAOYSA-N -1 0 336.691 3.308 20 30 EGEDRM COC(=O)C1(C/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])CCCC1 ZINC000751890554 1299645733 /nfs/dbraw/zinc/64/57/33/1299645733.db2.gz OEACRQMZEGOLID-IUXPMGMMSA-N -1 0 340.763 3.106 20 30 EGEDRM COC(=O)[C@H](CC1CCCCC1)/N=C\c1cc([N+](=O)[O-])ccc1[O-] ZINC000754827491 1300223925 /nfs/dbraw/zinc/22/39/25/1300223925.db2.gz MJAUOMLTAQUGDA-GZQZNAIASA-N -1 0 334.372 3.231 20 30 EGEDRM C[C@@H](Oc1cccc(C(=O)/C=C\c2ccc(O)c(F)c2)c1)C(=O)[O-] ZINC000755592174 1300361734 /nfs/dbraw/zinc/36/17/34/1300361734.db2.gz XTCLOOJAEAHMBF-JPVGGKMYSA-N -1 0 330.311 3.279 20 30 EGEDRM C=CCNC(=O)C(C#N)=C([O-])c1cccc(-c2c(F)cccc2F)c1 ZINC000757410743 1300670307 /nfs/dbraw/zinc/67/03/07/1300670307.db2.gz VCMOVASHPPLQDQ-CQSZACIVSA-N -1 0 340.329 3.256 20 30 EGEDRM C#CC[C@H](NC(=O)c1nn(-c2ccccc2)cc1[O-])c1ccccc1 ZINC000757613987 1300693878 /nfs/dbraw/zinc/69/38/78/1300693878.db2.gz GMAYOKZYBPOHKU-KRWDZBQOSA-N -1 0 331.375 3.072 20 30 EGEDRM CC(N=Nc1oc(C(C)(C)C)nc1C#N)c1cc([N+](=O)[O-])ccc1[O-] ZINC000758117345 1300789319 /nfs/dbraw/zinc/78/93/19/1300789319.db2.gz RDAKXVIZLSEGDP-UHFFFAOYSA-N -1 0 343.343 3.294 20 30 EGEDRM COc1cccc2c1C/C(=C\c1cccc(OCCC(=O)[O-])c1)C2=O ZINC000759667542 1301139469 /nfs/dbraw/zinc/13/94/69/1301139469.db2.gz YDWBUKIGILSODZ-GXDHUFHOSA-N -1 0 338.359 3.371 20 30 EGEDRM CN(C)[C@H](C(=O)Nc1cc(C#N)ccc1[O-])c1c(F)cccc1Cl ZINC000759713362 1301146591 /nfs/dbraw/zinc/14/65/91/1301146591.db2.gz NAWWRTSOHIKBIS-INIZCTEOSA-N -1 0 347.777 3.298 20 30 EGEDRM Cc1cc(/C=C/C(=O)c2cccc(OCC(=O)[O-])c2)cnc1Cl ZINC000760262881 1301241626 /nfs/dbraw/zinc/24/16/26/1301241626.db2.gz LYKRRCNYSNSLEN-AATRIKPKSA-N -1 0 331.755 3.403 20 30 EGEDRM [O-]c1c(Cl)cc(Cl)cc1C=NNc1ccc(-n2ccnc2)nn1 ZINC000761857158 1301555583 /nfs/dbraw/zinc/55/55/83/1301555583.db2.gz IKAUGRNTVHTFJJ-UHFFFAOYSA-N -1 0 349.181 3.121 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl ZINC000762048039 1301601024 /nfs/dbraw/zinc/60/10/24/1301601024.db2.gz IQGUIRFIKLXULB-ZZXKWVIFSA-N -1 0 347.720 3.471 20 30 EGEDRM Cc1c(C(=O)[O-])oc2c1C(=NNCCc1ccccc1F)CCC2 ZINC000764723751 1302123250 /nfs/dbraw/zinc/12/32/50/1302123250.db2.gz ROYPTVDAAJCPCY-UHFFFAOYSA-N -1 0 330.359 3.298 20 30 EGEDRM N#Cc1ccc(N2CCN(Cc3c(O)cccc3Cl)CC2)c(F)c1 ZINC000769147381 1303055537 /nfs/dbraw/zinc/05/55/37/1303055537.db2.gz PPKRNBXKTCARHZ-UHFFFAOYSA-N -1 0 345.805 3.379 20 30 EGEDRM N#CCCCOc1cccnc1NC(=O)c1c([O-])cccc1Cl ZINC000769752193 1303169515 /nfs/dbraw/zinc/16/95/15/1303169515.db2.gz JQZAXAZSAMDOFH-UHFFFAOYSA-N -1 0 331.759 3.375 20 30 EGEDRM COc1cc(C=NNc2c(C)cccc2F)ccc1OCCC(=O)[O-] ZINC000769827670 1303180729 /nfs/dbraw/zinc/18/07/29/1303180729.db2.gz GYHJIZVJPSQQHI-UHFFFAOYSA-N -1 0 346.358 3.442 20 30 EGEDRM C#CCOc1ccc([N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)cc1 ZINC000769874135 1303186717 /nfs/dbraw/zinc/18/67/17/1303186717.db2.gz XZWBOCQWJCKCLN-UHFFFAOYSA-N -1 0 344.367 3.120 20 30 EGEDRM CN(C)c1cc(F)ccc1C(=O)/C=C/c1cc([O-])ccc1[N+](=O)[O-] ZINC000772800273 1303578457 /nfs/dbraw/zinc/57/84/57/1303578457.db2.gz FMSSNPDTHJPDAD-FPYGCLRLSA-N -1 0 330.315 3.402 20 30 EGEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1nc(C)c(C)s1)c1ccccc1 ZINC000774259982 1303791439 /nfs/dbraw/zinc/79/14/39/1303791439.db2.gz LVHXPFSGOQRJIR-CABCVRRESA-N -1 0 341.436 3.350 20 30 EGEDRM COc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(C#N)ccc1C ZINC000775294609 1303935226 /nfs/dbraw/zinc/93/52/26/1303935226.db2.gz DZZKBCUMEPOKJN-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM CO[C@@H]1[C@H](C)[C@@H](/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1(C)C ZINC000775630031 1303998431 /nfs/dbraw/zinc/99/84/31/1303998431.db2.gz IZQCVYWLKOZRIX-ZSYBNOMISA-N -1 0 326.780 3.432 20 30 EGEDRM COc1ccc(SC)c(OC)c1C(=O)Nc1cc(C#N)ccc1[O-] ZINC000775790683 1304038301 /nfs/dbraw/zinc/03/83/01/1304038301.db2.gz BENLVBUEVUVKDF-UHFFFAOYSA-N -1 0 344.392 3.255 20 30 EGEDRM COc1cccc(OC)c1/C=C\C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000776189906 1304108984 /nfs/dbraw/zinc/10/89/84/1304108984.db2.gz LLSRVKJEZMOPKS-KTKRTIGZSA-N -1 0 342.347 3.063 20 30 EGEDRM C[C@@H](C#N)Oc1ccccc1NC(=O)CC1(C(=O)[O-])CCCCC1 ZINC000779704612 1304594353 /nfs/dbraw/zinc/59/43/53/1304594353.db2.gz SYIVAUNTNNZYNK-ZDUSSCGKSA-N -1 0 330.384 3.341 20 30 EGEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)[C@H](C)[C@H](C)CC ZINC000780320301 1304676179 /nfs/dbraw/zinc/67/61/79/1304676179.db2.gz YAQSQESJKCLGCM-JTNHKYCSSA-N -1 0 346.427 3.382 20 30 EGEDRM CNC(=O)C(C#N)=C([O-])c1cc(-c2ccccc2)nc2ccc(C)cc21 ZINC000780311305 1304676265 /nfs/dbraw/zinc/67/62/65/1304676265.db2.gz AETONUFTAGCIAI-KRWDZBQOSA-N -1 0 343.386 3.279 20 30 EGEDRM CCCCCCCCC(=O)[N-]S(=O)(=O)c1ccnc(Cl)c1 ZINC000782639168 1304996428 /nfs/dbraw/zinc/99/64/28/1304996428.db2.gz CNRMRTNHMPIOIK-UHFFFAOYSA-N -1 0 332.853 3.291 20 30 EGEDRM CCCCCCCCC(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1 ZINC000782985562 1305034156 /nfs/dbraw/zinc/03/41/56/1305034156.db2.gz ILBCPESJTKNBGL-UHFFFAOYSA-N -1 0 330.388 3.100 20 30 EGEDRM C=C(C)[C@@H](CC(=O)[N-]S(=O)(=O)c1cccc2ccccc21)OCC ZINC000784582445 1305261755 /nfs/dbraw/zinc/26/17/55/1305261755.db2.gz DPANROUPTUZZKF-MRXNPFEDSA-N -1 0 347.436 3.016 20 30 EGEDRM CC[C@H](C)CCCCC(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1 ZINC000784858613 1305287460 /nfs/dbraw/zinc/28/74/60/1305287460.db2.gz INJSYUKWXSYHNC-AWEZNQCLSA-N -1 0 336.457 3.111 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2csc(Cl)c2)n1 ZINC000786346405 1305561672 /nfs/dbraw/zinc/56/16/72/1305561672.db2.gz CSDMJYNUBDBERM-SECBINFHSA-N -1 0 340.813 3.200 20 30 EGEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2cccc3c2ccn3C)c1 ZINC000786540881 1305594474 /nfs/dbraw/zinc/59/44/74/1305594474.db2.gz NCQQNVPFADXVRT-GOSISDBHSA-N -1 0 345.402 3.126 20 30 EGEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2cc3ccsc3[nH]2)c1 ZINC000786551793 1305596081 /nfs/dbraw/zinc/59/60/81/1305596081.db2.gz HBXGUDITKGOXSQ-CQSZACIVSA-N -1 0 337.404 3.177 20 30 EGEDRM CCc1ccsc1C([O-])=C(C#N)C(=O)NCc1cccc(C)c1 ZINC000786551580 1305596539 /nfs/dbraw/zinc/59/65/39/1305596539.db2.gz YVGMEGKZSQFSFX-OAHLLOKOSA-N -1 0 326.421 3.258 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)C(=O)NCc2ccc(F)c(F)c2)sc1C ZINC000786573428 1305602497 /nfs/dbraw/zinc/60/24/97/1305602497.db2.gz ZEDUDVHRIHVHBS-LBPRGKRZSA-N -1 0 348.374 3.282 20 30 EGEDRM CC(C)Cn1ccc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)n1 ZINC000893062252 1305684976 /nfs/dbraw/zinc/68/49/76/1305684976.db2.gz NTUMLQRWFUSZGR-GFCCVEGCSA-N -1 0 336.317 3.443 20 30 EGEDRM O=C([O-])[C@@H]1CCC(N=Nc2cnc3ccccc3n2)c2ccccc21 ZINC000789004483 1306062420 /nfs/dbraw/zinc/06/24/20/1306062420.db2.gz GYTUGDXTUKKWRS-CQSZACIVSA-N -1 0 332.363 3.408 20 30 EGEDRM Cc1nnc(N=NCCCc2c(Cl)cccc2Cl)[n-]c1=O ZINC000790148467 1306268489 /nfs/dbraw/zinc/26/84/89/1306268489.db2.gz IWAIERRXGQRSTD-UHFFFAOYSA-N -1 0 326.187 3.223 20 30 EGEDRM Oc1ccc(Cl)c(F)c1CN=Nc1nc(-c2ccncc2)no1 ZINC000790165966 1306270634 /nfs/dbraw/zinc/27/06/34/1306270634.db2.gz ZQDNNOBFGUDZAV-UHFFFAOYSA-N -1 0 333.710 3.076 20 30 EGEDRM N#CC(=C([O-])C1=Cc2cc(F)ccc2OC1)c1cnc2ccccc2n1 ZINC000792108036 1309120980 /nfs/dbraw/zinc/12/09/80/1309120980.db2.gz BHDDTHOPKCXHCF-OAHLLOKOSA-N -1 0 345.333 3.421 20 30 EGEDRM CC[C@H](NN=C(C)c1ccc(SC(F)F)c(OC)c1)C(=O)[O-] ZINC000793079314 1309291742 /nfs/dbraw/zinc/29/17/42/1309291742.db2.gz QRXIXBBAIOEQCQ-JTQLQIEISA-N -1 0 332.372 3.187 20 30 EGEDRM CC(C)(C)n1ncc2c1nc(N=NC1CCC[C@H]1CCF)[n-]c2=O ZINC000794908363 1309619075 /nfs/dbraw/zinc/61/90/75/1309619075.db2.gz HZJXZPTWOFWMHS-JTQLQIEISA-N -1 0 334.399 3.215 20 30 EGEDRM C=CCN1C(=O)/C(=C/c2cc(C(=O)[O-])c(C)cc2C)SC1=S ZINC000794927120 1309622993 /nfs/dbraw/zinc/62/29/93/1309622993.db2.gz OXKMDNYLTHPVAX-JYRVWZFOSA-N -1 0 333.434 3.389 20 30 EGEDRM CCOC(=O)c1scnc1/C=C\C(=O)c1cc(F)cc(F)c1[O-] ZINC000794940906 1309626776 /nfs/dbraw/zinc/62/67/76/1309626776.db2.gz FHPBVOKVUNDUBF-ARJAWSKDSA-N -1 0 339.319 3.200 20 30 EGEDRM COC(=O)c1coc(C(=O)/C=C\c2cc(C(=O)[O-])c(C)cc2C)c1 ZINC000794942775 1309628614 /nfs/dbraw/zinc/62/86/14/1309628614.db2.gz FONLPAYKGFQLAV-PLNGDYQASA-N -1 0 328.320 3.277 20 30 EGEDRM CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C#N)cn2)c1 ZINC000795612974 1309791863 /nfs/dbraw/zinc/79/18/63/1309791863.db2.gz UGWOAUNVDSNSTQ-UHFFFAOYSA-N -1 0 349.799 3.000 20 30 EGEDRM C=CCC(C)(C)C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000796714505 1310071094 /nfs/dbraw/zinc/07/10/94/1310071094.db2.gz YNQIKNVNGBIIED-UHFFFAOYSA-N -1 0 336.240 3.401 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)NCC1(c2cccc(C)c2)CCCC1 ZINC000797718545 1310236605 /nfs/dbraw/zinc/23/66/05/1310236605.db2.gz RHYNNQJEIDTHHU-UHFFFAOYSA-N -1 0 330.428 3.089 20 30 EGEDRM C#CCOc1ccc(NC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])cc1 ZINC000797742746 1310240371 /nfs/dbraw/zinc/24/03/71/1310240371.db2.gz DZQIHFHDOZLFNU-QGZVFWFLSA-N -1 0 344.411 3.244 20 30 EGEDRM COc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000797818296 1310252027 /nfs/dbraw/zinc/25/20/27/1310252027.db2.gz VLPJBJFNQFQFNE-UHFFFAOYSA-N -1 0 328.802 3.083 20 30 EGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)c1cc(C#N)oc1C ZINC000797938919 1310273776 /nfs/dbraw/zinc/27/37/76/1310273776.db2.gz PAYYOGFHZXGFKQ-HNNXBMFYSA-N -1 0 331.331 3.455 20 30 EGEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1cc(C#N)oc1C)c1ccccc1 ZINC000797961250 1310276202 /nfs/dbraw/zinc/27/62/02/1310276202.db2.gz HSHTWUWVRNPHFA-IAGOWNOFSA-N -1 0 335.363 3.050 20 30 EGEDRM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1coc(C2CC2)n1 ZINC000802042625 1316976145 /nfs/dbraw/zinc/97/61/45/1316976145.db2.gz IDJFHVGRKIPDIP-SNVBAGLBSA-N -1 0 329.743 3.167 20 30 EGEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1cccc(N(C)C)c1)c1ccccc1 ZINC000802219255 1316989862 /nfs/dbraw/zinc/98/98/62/1316989862.db2.gz ULCGYPNJUZUQMP-RTBURBONSA-N -1 0 349.434 3.343 20 30 EGEDRM CCn1cnc(/C=C\C(=O)c2ccc(OCCCC(=O)[O-])cc2)c1 ZINC000899338066 1316995318 /nfs/dbraw/zinc/99/53/18/1316995318.db2.gz LVWCKHUWLNBKMV-YFHOEESVSA-N -1 0 328.368 3.043 20 30 EGEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1occ2c1CCC2)c1ccccc1 ZINC000802799106 1317042676 /nfs/dbraw/zinc/04/26/76/1317042676.db2.gz FJRWJJNYZWBCKE-SJORKVTESA-N -1 0 336.391 3.358 20 30 EGEDRM Cc1oc(C(C)C)nc1C([O-])=C(C#N)C(=O)NCc1cccc(C)c1 ZINC000802797026 1317042693 /nfs/dbraw/zinc/04/26/93/1317042693.db2.gz NAMUXFCNYCQVNL-HNNXBMFYSA-N -1 0 339.395 3.054 20 30 EGEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)C(C)(C)C1CC1 ZINC000805860205 1317432987 /nfs/dbraw/zinc/43/29/87/1317432987.db2.gz BIADOMCYHYHLCH-CYBMUJFWSA-N -1 0 344.411 3.136 20 30 EGEDRM CC(C)c1ccc2occ(C([O-])=C(C#N)C(=O)c3nccn3C)c2c1 ZINC000805898266 1317436410 /nfs/dbraw/zinc/43/64/10/1317436410.db2.gz FUWIPTJUEVWDAZ-AWEZNQCLSA-N -1 0 335.363 3.495 20 30 EGEDRM COC(=O)c1ccc(/C=C2/C[C@H](C(=O)[O-])c3ccccc3C2=O)cc1 ZINC000806559579 1317501039 /nfs/dbraw/zinc/50/10/39/1317501039.db2.gz CPLVWUBGUNQKQL-QXSWTLKVSA-N -1 0 336.343 3.311 20 30 EGEDRM CC(=NNc1ccc([N+](=O)[O-])cc1C)c1ccc(CC(=O)[O-])cc1 ZINC000807990480 1317608278 /nfs/dbraw/zinc/60/82/78/1317608278.db2.gz DGTBEBSHODURGV-UHFFFAOYSA-N -1 0 327.340 3.366 20 30 EGEDRM COc1cc(C(C)C)c(S(=O)(=O)[N-]c2ncccc2C#N)cc1C ZINC000903621253 1317712473 /nfs/dbraw/zinc/71/24/73/1317712473.db2.gz DYLILMFFOUHXIZ-UHFFFAOYSA-N -1 0 345.424 3.195 20 30 EGEDRM C=C(C)C[C@@H]([NH2+]Cc1cc(Cl)cc(Br)c1[O-])C(=O)[O-] ZINC000904030852 1317771603 /nfs/dbraw/zinc/77/16/03/1317771603.db2.gz DTRYOMDPXWCRPI-LLVKDONJSA-N -1 0 348.624 3.317 20 30 EGEDRM O=C([O-])c1cc(/C=C\C(=O)c2c(Cl)nc3ccccn32)ccc1O ZINC000809154240 1317776025 /nfs/dbraw/zinc/77/60/25/1317776025.db2.gz PYEJYJNBHDDZCG-ALCCZGGFSA-N -1 0 342.738 3.288 20 30 EGEDRM COc1ccc2c(c1F)C/C(=C\c1cc([O-])ccc1[N+](=O)[O-])C2=O ZINC000809157675 1317776877 /nfs/dbraw/zinc/77/68/77/1317776877.db2.gz USDGZBOOHGXZIK-UXBLZVDNSA-N -1 0 329.283 3.271 20 30 EGEDRM CCc1c(C)sc([N-]S(=O)(=O)c2cn(C(C)C)cn2)c1C#N ZINC000906073013 1318034267 /nfs/dbraw/zinc/03/42/67/1318034267.db2.gz NQZCVGDHKKNVDW-UHFFFAOYSA-N -1 0 338.458 3.069 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)C2(c3cccc(C)c3)CCCC2)CC1 ZINC000810986505 1318086309 /nfs/dbraw/zinc/08/63/09/1318086309.db2.gz BZOSFJHAMZFZHV-UHFFFAOYSA-N -1 0 347.480 3.362 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)CC1 ZINC000810983660 1318086420 /nfs/dbraw/zinc/08/64/20/1318086420.db2.gz FHVJGRSCRODREB-QLFBSQMISA-N -1 0 325.474 3.148 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)CCc2ccc3ccccc3c2)CC1 ZINC000810988097 1318087393 /nfs/dbraw/zinc/08/73/93/1318087393.db2.gz CBVDDIJILCWUJB-UHFFFAOYSA-N -1 0 343.448 3.327 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H](CC)Sc2ccccc2)CC1 ZINC000810988327 1318087711 /nfs/dbraw/zinc/08/77/11/1318087711.db2.gz HBMPBHCFFYCAPF-CQSZACIVSA-N -1 0 339.482 3.112 20 30 EGEDRM CC(=NN[C@H](C)COc1ccccc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000811667517 1318224370 /nfs/dbraw/zinc/22/43/70/1318224370.db2.gz XBZYKQQGHCRVCD-GFCCVEGCSA-N -1 0 329.356 3.082 20 30 EGEDRM C#CCCCC(=O)N[C@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000908420968 1318342624 /nfs/dbraw/zinc/34/26/24/1318342624.db2.gz ZXCDGSGFPDWPKO-CYBMUJFWSA-N -1 0 327.302 3.141 20 30 EGEDRM C=CCC[C@@H](NC(=O)Nc1cnn([C@@H](C)c2ccccc2)c1)C(=O)[O-] ZINC000908678971 1318388654 /nfs/dbraw/zinc/38/86/54/1318388654.db2.gz JELFGCCCSISXKV-XJKSGUPXSA-N -1 0 342.399 3.033 20 30 EGEDRM C#CCO[N-]C(=O)[C@H](Sc1ccc(F)c(F)c1)c1ccccc1 ZINC000812781770 1318453770 /nfs/dbraw/zinc/45/37/70/1318453770.db2.gz FGPBCZMEAZNIBE-MRXNPFEDSA-N -1 0 333.359 3.479 20 30 EGEDRM Cc1cccc(C)c1NC(=S)NN=C1CC[C@H](C(=O)[O-])C[C@@H]1C ZINC000814706967 1318801445 /nfs/dbraw/zinc/80/14/45/1318801445.db2.gz HNYYDBFDKOQBLP-STQMWFEESA-N -1 0 333.457 3.467 20 30 EGEDRM Cc1nc2ccccc2c(=O)n1N=Cc1cc(Cl)c(F)cc1[O-] ZINC000814701036 1318802350 /nfs/dbraw/zinc/80/23/50/1318802350.db2.gz MVRCXIPKXOUBLH-UHFFFAOYSA-N -1 0 331.734 3.085 20 30 EGEDRM COc1cccc(NC(=S)NN=C(C)c2csc(C(=O)[O-])c2)c1 ZINC000814721804 1318806041 /nfs/dbraw/zinc/80/60/41/1318806041.db2.gz WYDKCZKLKIJTKG-UHFFFAOYSA-N -1 0 349.437 3.166 20 30 EGEDRM COc1cc(C(C)N=Nc2ccccn2)ccc1OCCCC(=O)[O-] ZINC000814731869 1318807733 /nfs/dbraw/zinc/80/77/33/1318807733.db2.gz MSSRFCBORSICKF-UHFFFAOYSA-N -1 0 343.383 3.170 20 30 EGEDRM CCC(N=Nc1ncccn1)c1ccc(OCCCCC(=O)[O-])cc1 ZINC000814797761 1318820563 /nfs/dbraw/zinc/82/05/63/1318820563.db2.gz UOZFLQLUFHWQFN-UHFFFAOYSA-N -1 0 342.399 3.337 20 30 EGEDRM O=C([O-])C1(c2ccccc2)CC(N=Nc2ccnc3ccccc23)C1 ZINC000814841342 1318830382 /nfs/dbraw/zinc/83/03/82/1318830382.db2.gz MPQQGMNYXCKCSF-UHFFFAOYSA-N -1 0 331.375 3.241 20 30 EGEDRM CCC(=NN[C@@H]1CCCOC1)c1ccc(OCCCCC(=O)[O-])cc1 ZINC000814909075 1318845247 /nfs/dbraw/zinc/84/52/47/1318845247.db2.gz WJXSOWZPKHGLFP-MRXNPFEDSA-N -1 0 348.443 3.203 20 30 EGEDRM CC[C@@H](NN=C(C)c1sc(Cc2ccccc2)nc1C)C(=O)[O-] ZINC000814936695 1318853952 /nfs/dbraw/zinc/85/39/52/1318853952.db2.gz GGOHJFZQSALXKQ-CQSZACIVSA-N -1 0 331.441 3.219 20 30 EGEDRM Cc1ccc2snc(C([O-])=C(C#N)C(=O)NCc3ccccc3)c2c1 ZINC000815906461 1319071961 /nfs/dbraw/zinc/07/19/61/1319071961.db2.gz AFYMWSLUTJALRM-HNNXBMFYSA-N -1 0 349.415 3.244 20 30 EGEDRM CC(=NN[C@@H]1CCC[C@H]1O)c1cc(Br)cc(Cl)c1[O-] ZINC000817337892 1319330247 /nfs/dbraw/zinc/33/02/47/1319330247.db2.gz PWVVQFSAVORXPX-VXGBXAGGSA-N -1 0 347.640 3.035 20 30 EGEDRM CC[C@@H](C)C(C)N=Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cn1 ZINC000914699668 1319364142 /nfs/dbraw/zinc/36/41/42/1319364142.db2.gz DIRHSNQSZSDHHI-GFCCVEGCSA-N -1 0 347.444 3.111 20 30 EGEDRM CC(=NNC(=S)Nc1ccccc1C)c1ccc(CC(=O)[O-])cc1 ZINC000915937304 1319565906 /nfs/dbraw/zinc/56/59/06/1319565906.db2.gz NDESOSHERFDFGC-UHFFFAOYSA-N -1 0 341.436 3.333 20 30 EGEDRM COc1ccc(C(=O)/C=C\c2ccc(F)cc2F)cc1CC(=O)[O-] ZINC000916546818 1319668359 /nfs/dbraw/zinc/66/83/59/1319668359.db2.gz HYOJDWSBBOKOLA-UTCJRWHESA-N -1 0 332.302 3.497 20 30 EGEDRM N#CCCCOC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000916606796 1319682713 /nfs/dbraw/zinc/68/27/13/1319682713.db2.gz NVDXBUYPWDOPTO-UHFFFAOYSA-N -1 0 339.273 3.057 20 30 EGEDRM CCO[C@@H]1CC(N=Nc2ccc(Cl)c(C(=O)[O-])c2)[C@]12CCCO2 ZINC000819800972 1319788538 /nfs/dbraw/zinc/78/85/38/1319788538.db2.gz HSGIQIYKZKCTOT-GDBMZVCRSA-N -1 0 338.791 3.164 20 30 EGEDRM CC(=NN[C@@H](C)c1ccncc1)c1cccc(OCCCC(=O)[O-])c1 ZINC000819818512 1319791009 /nfs/dbraw/zinc/79/10/09/1319791009.db2.gz MYVIEDYAMWJYPK-AWEZNQCLSA-N -1 0 341.411 3.400 20 30 EGEDRM CCOC(=O)c1c(C)[nH]c(C)c1C(=O)C(C#N)=C([O-])c1ccsc1 ZINC000917504481 1319822869 /nfs/dbraw/zinc/82/28/69/1319822869.db2.gz DICKLOLFFYZTKR-GFCCVEGCSA-N -1 0 344.392 3.075 20 30 EGEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)[C@@H]1CC=CCC1 ZINC000917505347 1319823080 /nfs/dbraw/zinc/82/30/80/1319823080.db2.gz MVLVNEKITIDXAT-KGLIPLIRSA-N -1 0 342.395 3.056 20 30 EGEDRM CCOC(=O)c1c(C)[nH]c(C)c1C(=O)C(C#N)=C([O-])c1ccccc1 ZINC000917507089 1319823330 /nfs/dbraw/zinc/82/33/30/1319823330.db2.gz NZLNNZUAZLXSFU-CQSZACIVSA-N -1 0 338.363 3.014 20 30 EGEDRM N#CCC1CCN(C(=O)c2ccc(-c3ccc(C=O)o3)cc2[O-])CC1 ZINC000821815634 1320033741 /nfs/dbraw/zinc/03/37/41/1320033741.db2.gz FCVGMQPRGUEPCO-UHFFFAOYSA-N -1 0 338.363 3.231 20 30 EGEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1ccc(C)c(C)n1)c1ccccc1 ZINC000842342332 1321374944 /nfs/dbraw/zinc/37/49/44/1321374944.db2.gz JAGBREHYYZYBCI-DLBZAZTESA-N -1 0 335.407 3.288 20 30 EGEDRM N#CC(=C([O-])C=CC1CCCC1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000842682447 1321417880 /nfs/dbraw/zinc/41/78/80/1321417880.db2.gz CUGSIIJQYDGLKY-AUECHBEKSA-N -1 0 348.410 3.120 20 30 EGEDRM CSc1ccc(CCCC(=O)C(C#N)=C([O-])c2nccn2C)cc1 ZINC000842740256 1321426362 /nfs/dbraw/zinc/42/63/62/1321426362.db2.gz PIVQOXSHEFCVKR-HNNXBMFYSA-N -1 0 341.436 3.056 20 30 EGEDRM COc1ccc(C(=O)/C=C/c2ccc(O[C@H]3CCOC3)cc2)c([O-])c1 ZINC000849247253 1322101576 /nfs/dbraw/zinc/10/15/76/1322101576.db2.gz RBQANAAWMCHJAZ-QVNOTHCHSA-N -1 0 340.375 3.465 20 30 EGEDRM Cc1cccc(-c2ccc(C(=O)N3CCC(C(=O)[O-])CC3)cc2)c1C#N ZINC000849476711 1322123652 /nfs/dbraw/zinc/12/36/52/1322123652.db2.gz WFLMYOQMHRALPE-UHFFFAOYSA-N -1 0 348.402 3.471 20 30 EGEDRM Cc1cccc(-c2ccc(N3C[C@H](C(=O)[O-])CC3=O)cc2C)c1C#N ZINC000849476521 1322123692 /nfs/dbraw/zinc/12/36/92/1322123692.db2.gz SALSIDSMCXAGLR-CQSZACIVSA-N -1 0 334.375 3.280 20 30 EGEDRM N#CC1(CC(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2)CCCCC1 ZINC000850731140 1322279667 /nfs/dbraw/zinc/27/96/67/1322279667.db2.gz KAKMUVBNEFMPNN-UHFFFAOYSA-N -1 0 340.832 3.009 20 30 EGEDRM CC(C)Oc1ccc(C(=O)[O-])cc1C(C)N=Nc1cncc(Cl)n1 ZINC000853289589 1325076710 /nfs/dbraw/zinc/07/67/10/1325076710.db2.gz OFWCGDQFWNCONK-UHFFFAOYSA-N -1 0 348.790 3.452 20 30 EGEDRM C[C@@H]1CC(=NNCc2ccc(Br)cc2)CC[C@H]1C(=O)[O-] ZINC000853385477 1325087217 /nfs/dbraw/zinc/08/72/17/1325087217.db2.gz ZHFBIGXJVTWLIX-QMTHXVAHSA-N -1 0 339.233 3.416 20 30 EGEDRM O=C([O-])COc1ccc(Br)cc1C=NOCC1CCC1 ZINC000853439365 1325091896 /nfs/dbraw/zinc/09/18/96/1325091896.db2.gz FMHIQBSOCYZGEH-UHFFFAOYSA-N -1 0 342.189 3.063 20 30 EGEDRM C[C@@H]1CCN(c2cccc(Cl)c2C#N)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000853988993 1325198712 /nfs/dbraw/zinc/19/87/12/1325198712.db2.gz HBQCPAJYFMWIHP-SKDRFNHKSA-N -1 0 345.752 3.105 20 30 EGEDRM CC(=CC(=O)OCC([O-])=C(C#N)c1nc(C)cs1)c1cccs1 ZINC000856984845 1325551729 /nfs/dbraw/zinc/55/17/29/1325551729.db2.gz ZDUAABJBXQYHRJ-GCZGVDRJSA-N -1 0 346.433 3.336 20 30 EGEDRM COc1ccc(NC(=O)c2cccc(C#N)c2[O-])c(Br)c1 ZINC001193647324 1368082477 /nfs/dbraw/zinc/08/24/77/1368082477.db2.gz ZSSWTNDBRYUVBG-UHFFFAOYSA-N -1 0 347.168 3.287 20 30 EGEDRM CC(C)=C[C@@H]1[C@H](C(=O)OCC([O-])=C(C#N)c2nc(C)cs2)C1(C)C ZINC000927720623 1328119902 /nfs/dbraw/zinc/11/99/02/1328119902.db2.gz RNZVXVQPWVSTSI-UMVBOHGHSA-N -1 0 346.452 3.409 20 30 EGEDRM C#CC[C@H](NC(=O)N1CCC[C@]1(CCC)C(=O)[O-])c1ccccc1 ZINC000929033620 1328493411 /nfs/dbraw/zinc/49/34/11/1328493411.db2.gz MOPZKEJKWPHIFC-QFBILLFUSA-N -1 0 328.412 3.180 20 30 EGEDRM COc1ccc(C=NNc2ccc(CC(=O)[O-])cc2)cc1OC1CC1 ZINC000863126746 1329530014 /nfs/dbraw/zinc/53/00/14/1329530014.db2.gz NXHHQSDEFRPXQP-UHFFFAOYSA-N -1 0 340.379 3.310 20 30 EGEDRM CCCCCCCNS(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1 ZINC000863429315 1329553510 /nfs/dbraw/zinc/55/35/10/1329553510.db2.gz OBKGTLSSDOVHCF-UHFFFAOYSA-N -1 0 339.457 3.052 20 30 EGEDRM N#Cc1cc[nH]c1NC(=O)CCC(=O)C=C([O-])c1ccc(Cl)cc1 ZINC001184114378 1387395064 /nfs/dbraw/zinc/39/50/64/1387395064.db2.gz BTOXAKWWBQYFKE-UHFFFAOYSA-N -1 0 343.770 3.101 20 30 EGEDRM C#CC1CCN(C(=O)CCC(=O)C=C([O-])c2ccc(Cl)cc2)CC1 ZINC001184119744 1387395469 /nfs/dbraw/zinc/39/54/69/1387395469.db2.gz HZFKNWOUKIOWBT-UHFFFAOYSA-N -1 0 345.826 3.134 20 30 EGEDRM CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2occ(C)c2C)C1=O ZINC001323623230 1387409479 /nfs/dbraw/zinc/40/94/79/1387409479.db2.gz QOMLECVRASWJDX-SFHVURJKSA-N -1 0 349.431 3.212 20 30 EGEDRM CC1(C)CC(=O)Nc2c(NC(=O)CCC(=O)C3=CC=C[CH]3)cccc21 ZINC001184243685 1387418784 /nfs/dbraw/zinc/41/87/84/1387418784.db2.gz IFHDXXGHLZHYLP-UHFFFAOYSA-N -1 0 337.399 3.295 20 30 EGEDRM COc1ccc(C2=CCN(C(=O)CCC(=O)C3=CC=C[CH]3)CC2)cc1 ZINC001184244324 1387418852 /nfs/dbraw/zinc/41/88/52/1387418852.db2.gz SZDVOWUNGOIFPF-UHFFFAOYSA-N -1 0 336.411 3.361 20 30 EGEDRM N#Cc1ccc(NC(=O)Nc2nc(Br)ccc2[O-])cc1 ZINC001184710829 1387516195 /nfs/dbraw/zinc/51/61/95/1387516195.db2.gz LDFFLKQGSMCWII-UHFFFAOYSA-N -1 0 333.145 3.065 20 30 EGEDRM C=C1CC(C)(C(=O)Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)C1 ZINC001184787589 1387538518 /nfs/dbraw/zinc/53/85/18/1387538518.db2.gz SQLSDBWKZNOYIN-UHFFFAOYSA-N -1 0 347.370 3.462 20 30 EGEDRM Cc1nsc([N-]S(=O)(=O)c2ccc(F)c3ccccc32)c1C#N ZINC001189347454 1366998157 /nfs/dbraw/zinc/99/81/57/1366998157.db2.gz GKHUTMVAVMTIOW-UHFFFAOYSA-N -1 0 347.396 3.416 20 30 EGEDRM N#Cc1c(F)ccc(F)c1[N-]S(=O)(=O)Cc1cccc(F)c1F ZINC001189463628 1367031241 /nfs/dbraw/zinc/03/12/41/1367031241.db2.gz PVIJVQOWGCTMPJ-UHFFFAOYSA-N -1 0 344.289 3.057 20 30 EGEDRM C#Cc1cc([N-]S(=O)(=O)c2cc(OC)ccc2Cl)ccc1F ZINC001189611315 1367067746 /nfs/dbraw/zinc/06/77/46/1367067746.db2.gz WMFVJUVLKWVLFR-UHFFFAOYSA-N -1 0 339.775 3.270 20 30 EGEDRM Cc1cc(C#N)c([N-]S(=O)(=O)Cc2cc(F)ccc2F)s1 ZINC001189648847 1367077291 /nfs/dbraw/zinc/07/72/91/1367077291.db2.gz CIAWWEINUYHOMX-UHFFFAOYSA-N -1 0 328.365 3.148 20 30 EGEDRM N#Cc1cc(F)c(F)cc1[N-]S(=O)(=O)Cc1ccc(F)cc1F ZINC001189824415 1367114859 /nfs/dbraw/zinc/11/48/59/1367114859.db2.gz GUUVGYVJLMOOLL-UHFFFAOYSA-N -1 0 344.289 3.057 20 30 EGEDRM C#Cc1cccnc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC001190297646 1367220232 /nfs/dbraw/zinc/22/02/32/1367220232.db2.gz IUMZVXTTZCYZOL-UHFFFAOYSA-N -1 0 344.289 3.022 20 30 EGEDRM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(F)cc(F)c2F)c1C#N ZINC001190395266 1367251263 /nfs/dbraw/zinc/25/12/63/1367251263.db2.gz HYZDLZIKDCFOIX-UHFFFAOYSA-N -1 0 340.326 3.393 20 30 EGEDRM CCCCCCCNC(=O)Nc1nc[n-]c(=O)c1Br ZINC001191087125 1367421507 /nfs/dbraw/zinc/42/15/07/1367421507.db2.gz XILOULVONONPLU-UHFFFAOYSA-N -1 0 331.214 3.037 20 30 EGEDRM Cc1c(Cl)ccc(S(=O)(=O)[N-]c2cnccc2C#N)c1Cl ZINC001191728059 1367572883 /nfs/dbraw/zinc/57/28/83/1367572883.db2.gz DVVINWLXSHAGHX-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM N#Cc1ccc(F)c(NS(=O)(=O)Cc2ccc(Cl)cc2F)c1 ZINC001191898310 1367629793 /nfs/dbraw/zinc/62/97/93/1367629793.db2.gz POTKUMAADBFJGX-UHFFFAOYSA-N -1 0 342.754 3.432 20 30 EGEDRM Cc1cc(C#N)c([N-]S(=O)(=O)C(Cl)(Cl)Cl)cc1F ZINC001192040320 1367673254 /nfs/dbraw/zinc/67/32/54/1367673254.db2.gz HDUMHHLGWKPLAT-UHFFFAOYSA-N -1 0 331.583 3.075 20 30 EGEDRM Cc1cc(Cl)ncc1S(=O)(=O)[N-]c1cccc(Cl)c1C#N ZINC001192357530 1367762696 /nfs/dbraw/zinc/76/26/96/1367762696.db2.gz AJYWSDXWZYIOJG-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM C=CC[C@@H](NC(=O)c1ccc2c(c1)nc(C)n2-c1ccccc1)C(=O)[O-] ZINC001325144247 1387905047 /nfs/dbraw/zinc/90/50/47/1387905047.db2.gz DBICAPMRYCKFDO-MRXNPFEDSA-N -1 0 349.390 3.093 20 30 EGEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1c(Cl)nc(Cl)cc1C(F)(F)F ZINC001193106209 1367945585 /nfs/dbraw/zinc/94/55/85/1367945585.db2.gz MLZCOAXKPMNDGT-BYPYZUCNSA-N -1 0 348.133 3.061 20 30 EGEDRM Cc1cc(C)cc(C(=O)c2ccccc2[N-]S(=O)(=O)[C@@H](C)C#N)c1 ZINC001193160308 1367956635 /nfs/dbraw/zinc/95/66/35/1367956635.db2.gz BVEVZCRWGBYYLD-AWEZNQCLSA-N -1 0 342.420 3.188 20 30 EGEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1cccc2c1ccn2C(=O)OC(C)(C)C ZINC001193159051 1367956902 /nfs/dbraw/zinc/95/69/02/1367956902.db2.gz ZGYRFKATTYUUKM-NSHDSACASA-N -1 0 349.412 3.078 20 30 EGEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1ccc(F)cc1OCc1ccccc1 ZINC001193161100 1367957166 /nfs/dbraw/zinc/95/71/66/1367957166.db2.gz LGLFGMNRLBFFPT-LBPRGKRZSA-N -1 0 334.372 3.058 20 30 EGEDRM C[C@H](c1ccccc1)N(Cc1ccc(C#N)cc1)C(=O)c1cc(=O)[nH][n-]1 ZINC001193467827 1368037232 /nfs/dbraw/zinc/03/72/32/1368037232.db2.gz XHMKERNWJBTQEI-CQSZACIVSA-N -1 0 346.390 3.391 20 30 EGEDRM CCN(C(=O)c1ccc([O-])c(C#N)c1)[C@@H](C)Cc1ccc(OC)cc1 ZINC001193493932 1368045201 /nfs/dbraw/zinc/04/52/01/1368045201.db2.gz HHTSSVJKDZVHGW-AWEZNQCLSA-N -1 0 338.407 3.366 20 30 EGEDRM N#Cc1nc2ccc(NC(=O)c3cc(O)c([O-])c(Cl)c3)cc2s1 ZINC001193625078 1368077794 /nfs/dbraw/zinc/07/77/94/1368077794.db2.gz KRRNHQPETPLXAN-UHFFFAOYSA-N -1 0 345.767 3.485 20 30 EGEDRM CC1(C)Cc2c(NC(=O)c3cccc(C#N)c3[O-])cccc2NC1=O ZINC001193652639 1368085579 /nfs/dbraw/zinc/08/55/79/1368085579.db2.gz KYPRBUAFHACUAM-UHFFFAOYSA-N -1 0 335.363 3.037 20 30 EGEDRM COc1ccc2cccc(CCNC(=O)c3cccc(C#N)c3[O-])c2c1 ZINC001193659059 1368086647 /nfs/dbraw/zinc/08/66/47/1368086647.db2.gz JNWXIFZCEAPOGL-UHFFFAOYSA-N -1 0 346.386 3.398 20 30 EGEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cccc3c2CCCC3)c1 ZINC001193680549 1368093256 /nfs/dbraw/zinc/09/32/56/1368093256.db2.gz SHBCJKOVMDLJKZ-UHFFFAOYSA-N -1 0 342.420 3.246 20 30 EGEDRM Cc1noc([N-]S(=O)(=O)c2ccc(-c3cccs3)cc2)c1C#N ZINC001194130412 1368187789 /nfs/dbraw/zinc/18/77/89/1368187789.db2.gz DBVTYNZTEOIXNZ-UHFFFAOYSA-N -1 0 345.405 3.384 20 30 EGEDRM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C#N)s2)c(C)c1C ZINC001194842905 1368334219 /nfs/dbraw/zinc/33/42/19/1368334219.db2.gz CORJYQLUECWHES-UHFFFAOYSA-N -1 0 336.438 3.354 20 30 EGEDRM COc1cccc([N-]S(=O)(=O)c2cccc(C(C)C)c2)c1C#N ZINC001195159415 1368389790 /nfs/dbraw/zinc/38/97/90/1368389790.db2.gz QNISVAWAQBKNBX-UHFFFAOYSA-N -1 0 330.409 3.491 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2onc(C(C)(C)C)c2C#N)c(F)c1 ZINC001196353326 1368595710 /nfs/dbraw/zinc/59/57/10/1368595710.db2.gz LCWPQEMGDUMUKS-UHFFFAOYSA-N -1 0 337.376 3.092 20 30 EGEDRM C[C@H](O)c1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)c1 ZINC001196639896 1368654115 /nfs/dbraw/zinc/65/41/15/1368654115.db2.gz TVWRQZWEPHJSFJ-JTQLQIEISA-N -1 0 336.800 3.066 20 30 EGEDRM COc1cc(C#N)cc(NC(=S)Nc2ccc(C(=O)[O-])cc2)c1 ZINC001197119984 1368748238 /nfs/dbraw/zinc/74/82/38/1368748238.db2.gz ZPTIQIXGQHMRFI-UHFFFAOYSA-N -1 0 327.365 3.074 20 30 EGEDRM N#Cc1c(F)cc([N-]S(=O)(=O)Cc2c(F)cccc2F)cc1F ZINC001197608494 1368853786 /nfs/dbraw/zinc/85/37/86/1368853786.db2.gz RZXOSDYFAYICEL-UHFFFAOYSA-N -1 0 344.289 3.057 20 30 EGEDRM N#Cc1ccc(F)c(F)c1[N-]S(=O)(=O)c1ccc2occc2c1 ZINC001198870276 1369135413 /nfs/dbraw/zinc/13/54/13/1369135413.db2.gz LPLBPBBWICXQLY-UHFFFAOYSA-N -1 0 334.303 3.383 20 30 EGEDRM C[Si](C)(C)c1ccnc(C(=O)Nc2c(C#N)ccc(F)c2F)c1F ZINC001199739392 1369265237 /nfs/dbraw/zinc/26/52/37/1369265237.db2.gz XVYHXWDYYHQFOL-UHFFFAOYSA-N -1 0 349.388 3.168 20 30 EGEDRM CCOc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(C)c(C#N)c1 ZINC001201316801 1369517175 /nfs/dbraw/zinc/51/71/75/1369517175.db2.gz DOVGMVQDNQXGID-UHFFFAOYSA-N -1 0 334.372 3.205 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2cccc3cncc(F)c32)cc1C#N ZINC001201322103 1369519901 /nfs/dbraw/zinc/51/99/01/1369519901.db2.gz CXGCGDSXSLOUJE-UHFFFAOYSA-N -1 0 341.367 3.355 20 30 EGEDRM Cc1nc(Cl)sc1S(=O)(=O)[N-]c1c(C)cc(C#N)cc1C ZINC001201760972 1369618961 /nfs/dbraw/zinc/61/89/61/1369618961.db2.gz XYHZONAWXPYPAV-UHFFFAOYSA-N -1 0 341.845 3.394 20 30 EGEDRM N#Cc1cnc(Nc2ccc(C(=O)[O-])cc2F)c(Br)c1 ZINC001203286147 1370061713 /nfs/dbraw/zinc/06/17/13/1370061713.db2.gz JMGFJPXAMMLDOX-UHFFFAOYSA-N -1 0 336.120 3.297 20 30 EGEDRM COC(=O)c1cc(Nc2cc(F)c(C(=O)[O-])c(F)c2)ccc1C#N ZINC001203333136 1370087003 /nfs/dbraw/zinc/08/70/03/1370087003.db2.gz XYUXLSCWFVSQCT-UHFFFAOYSA-N -1 0 332.262 3.065 20 30 EGEDRM O=C(CCc1nc(-c2cc(C(F)(F)F)ccn2)no1)C1=CC=C[CH]1 ZINC001204656958 1370538398 /nfs/dbraw/zinc/53/83/98/1370538398.db2.gz WGNZEJBBPNBXJL-UHFFFAOYSA-N -1 0 334.277 3.353 20 30 EGEDRM CCOC(=O)c1ccc(NC(=O)Nc2cc(C#N)ccc2[O-])cc1 ZINC001187277747 1388086146 /nfs/dbraw/zinc/08/61/46/1388086146.db2.gz JQJTUAUIHWNZRC-UHFFFAOYSA-N -1 0 325.324 3.085 20 30 EGEDRM C=CC[C@@H](NC(=O)Nc1ccc2c(ccn2CC(C)C)c1)C(=O)[O-] ZINC001116903075 1370998185 /nfs/dbraw/zinc/99/81/85/1370998185.db2.gz VSZOSAFKMPOOKB-OAHLLOKOSA-N -1 0 329.400 3.448 20 30 EGEDRM C=CC[C@H](NC(=O)Nc1ccc2c(ccn2CC(C)C)c1)C(=O)[O-] ZINC001116903074 1370998436 /nfs/dbraw/zinc/99/84/36/1370998436.db2.gz VSZOSAFKMPOOKB-HNNXBMFYSA-N -1 0 329.400 3.448 20 30 EGEDRM N#C/N=C1\SCCN1Cc1ccc(-c2cc(F)c([O-])cc2F)nc1 ZINC001206762582 1371156419 /nfs/dbraw/zinc/15/64/19/1371156419.db2.gz ZUGMHGSRSDJQMA-PGMHBOJBSA-N -1 0 346.362 3.118 20 30 EGEDRM N#CC(C(=O)Nc1ccccc1)=C([O-])c1oc(C2CC2)nc1C(F)F ZINC001122448741 1372249512 /nfs/dbraw/zinc/24/95/12/1372249512.db2.gz QDFTXPAONFGCET-LLVKDONJSA-N -1 0 345.305 3.451 20 30 EGEDRM CCOC(=O)c1c(C)oc(Nc2cccc(CC(=O)[O-])c2)c1C#N ZINC001210069186 1372265866 /nfs/dbraw/zinc/26/58/66/1372265866.db2.gz JVDOVMZBRBQQIT-UHFFFAOYSA-N -1 0 328.324 3.007 20 30 EGEDRM N#CCc1nn(-c2ccccc2)c(Nc2ccccc2C(=O)[O-])c1C#N ZINC001210965447 1372462477 /nfs/dbraw/zinc/46/24/77/1372462477.db2.gz OJJIRJNPGIABRI-UHFFFAOYSA-N -1 0 343.346 3.252 20 30 EGEDRM COc1c(Nc2nc(C(F)(F)F)ccc2C#N)cccc1C(=O)[O-] ZINC001211033589 1372474198 /nfs/dbraw/zinc/47/41/98/1372474198.db2.gz QRYBDEHLPFBSQP-UHFFFAOYSA-N -1 0 337.257 3.422 20 30 EGEDRM N#Cc1cc(NC(=O)c2cc(-c3ccccc3F)[nH]n2)c([O-])cc1F ZINC001188024691 1388218430 /nfs/dbraw/zinc/21/84/30/1388218430.db2.gz NQNSHLGQHUKDAV-UHFFFAOYSA-N -1 0 340.289 3.184 20 30 EGEDRM N#Cc1c(F)cc(Nc2ccc(NC(=O)CCC(=O)[O-])cc2)cc1F ZINC001213196410 1372857571 /nfs/dbraw/zinc/85/75/71/1372857571.db2.gz JQHJDTUIEJMDTK-UHFFFAOYSA-N -1 0 345.305 3.383 20 30 EGEDRM CCOc1ccc(C(=O)[O-])cc1Nc1ccc(C#N)cc1C(=O)OC ZINC001214276760 1373036843 /nfs/dbraw/zinc/03/68/43/1373036843.db2.gz WKGBOHRJCKDXCA-UHFFFAOYSA-N -1 0 340.335 3.185 20 30 EGEDRM C#Cc1cnc(Nc2c(Cl)cc(C(=O)[O-])cc2Cl)c(C#C)n1 ZINC001214511707 1373071472 /nfs/dbraw/zinc/07/14/72/1373071472.db2.gz GQWPKQSEFYXADS-UHFFFAOYSA-N -1 0 332.146 3.188 20 30 EGEDRM N#Cc1cc(Br)ccc1Nc1cc(C(=O)[O-])cnc1F ZINC001215127871 1373174324 /nfs/dbraw/zinc/17/43/24/1373174324.db2.gz AXFJPSHQNJRXIE-UHFFFAOYSA-N -1 0 336.120 3.297 20 30 EGEDRM COc1cc([O-])c(-c2nc(-c3cc(F)cc(C#N)c3)no2)c(OC)c1 ZINC001216757211 1373339723 /nfs/dbraw/zinc/33/97/23/1373339723.db2.gz LBRWYCDSTCECIQ-UHFFFAOYSA-N -1 0 341.298 3.137 20 30 EGEDRM N#Cc1ccc(-c2noc(-c3cc([O-])c(Cl)c(F)c3F)n2)nc1 ZINC001216927217 1373365966 /nfs/dbraw/zinc/36/59/66/1373365966.db2.gz HVRTVAYJMMJIDC-UHFFFAOYSA-N -1 0 334.669 3.307 20 30 EGEDRM CCN1CCc2ccc(-c3noc(-c4ccc(C#N)cc4[O-])n3)cc21 ZINC001217038795 1373381304 /nfs/dbraw/zinc/38/13/04/1373381304.db2.gz HBNOIJZLQOKDCR-UHFFFAOYSA-N -1 0 332.363 3.363 20 30 EGEDRM COc1ccc2[n-]c(-c3nc(-c4cccc(C#N)c4)no3)cc(=O)c2c1 ZINC001217445507 1373445384 /nfs/dbraw/zinc/44/53/84/1373445384.db2.gz GEHATTKHKJIQSA-UHFFFAOYSA-N -1 0 344.330 3.125 20 30 EGEDRM CC(C)Oc1cc(F)c(COc2[n-]c(=O)c(F)cc2C#N)c(F)c1 ZINC001226015977 1375190464 /nfs/dbraw/zinc/19/04/64/1375190464.db2.gz OEUKPVSKILLSIB-UHFFFAOYSA-N -1 0 338.285 3.442 20 30 EGEDRM CC#C[C@H](CC)Oc1cc([O-])c(Br)cc1C(=O)OC ZINC001227360391 1375421957 /nfs/dbraw/zinc/42/19/57/1375421957.db2.gz UEJQXTPCZFHYKC-VIFPVBQESA-N -1 0 327.174 3.122 20 30 EGEDRM C=CC[C@H](Oc1nc2c([nH]1)[nH]c(=O)[nH]c2=O)c1ccc(Cl)cc1 ZINC001227432030 1375430620 /nfs/dbraw/zinc/43/06/20/1375430620.db2.gz IITYREKQJBVFCH-JTQLQIEISA-N -1 0 332.747 3.114 20 30 EGEDRM N#Cc1c(O)ccc(OC(=C([O-])c2ccco2)c2ccco2)c1C#N ZINC001227618601 1375454574 /nfs/dbraw/zinc/45/45/74/1375454574.db2.gz MUOKNEXYTXXMJM-GOSISDBHSA-N -1 0 334.287 3.325 20 30 EGEDRM C=C[C@@]1(C)CC[C@@H](Oc2ccc(-n3nn[n-]c3=S)cc2)C(C)(C)O1 ZINC001228438903 1375571227 /nfs/dbraw/zinc/57/12/27/1375571227.db2.gz RPMZIYSPDNKHLC-PBHICJAKSA-N -1 0 346.456 3.232 20 30 EGEDRM C=C[C@H](CCC)Oc1cc(O)cc([O-])c1C(=O)c1ccc(O)c(O)c1 ZINC001228520254 1375585904 /nfs/dbraw/zinc/58/59/04/1375585904.db2.gz XLSPOQFJMWORFU-CYBMUJFWSA-N -1 0 344.363 3.474 20 30 EGEDRM C=C[C@]1(C)CC[C@H](C(C)(C)Oc2nc(C3CC3)[n-]c(=O)c2[N+](=O)[O-])O1 ZINC001228604968 1375614241 /nfs/dbraw/zinc/61/42/41/1375614241.db2.gz ZEOGBDVOVBYGPC-PIGZYNQJSA-N -1 0 349.387 3.249 20 30 EGEDRM C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1Oc1[n-]c(=O)ccc1C#N ZINC001228899289 1375709499 /nfs/dbraw/zinc/70/94/99/1375709499.db2.gz UGJUBPOVJHKMFK-JSGCOSHPSA-N -1 0 347.415 3.073 20 30 EGEDRM C=C1O[C@H](C)C(=O)C1Oc1ccc2c(c1)oc(=O)c1cc([O-])ccc21 ZINC001229798357 1375895188 /nfs/dbraw/zinc/89/51/88/1375895188.db2.gz WQGGKJUWWDXZQF-SECBINFHSA-N -1 0 338.315 3.250 20 30 EGEDRM C#CC(C#C)Oc1cc(-c2coc3cc([O-])ccc3c2=O)ccc1OC ZINC001230122044 1375948481 /nfs/dbraw/zinc/94/84/81/1375948481.db2.gz GNCDITZVBCBESR-UHFFFAOYSA-N -1 0 346.338 3.188 20 30 EGEDRM C#CC[C@@H](C)Oc1nc(SC)[n-]c(=O)c1Oc1ccc(OC)cc1 ZINC001231123573 1376208094 /nfs/dbraw/zinc/20/80/94/1376208094.db2.gz JGPCAXWIYNSQOF-LLVKDONJSA-N -1 0 346.408 3.496 20 30 EGEDRM C#C[C@@H](CCC)Oc1cc(O)cc([O-])c1C(=O)c1cccc(O)c1 ZINC001234163753 1376781747 /nfs/dbraw/zinc/78/17/47/1376781747.db2.gz XNBOUJWGEVBHCB-HNNXBMFYSA-N -1 0 326.348 3.215 20 30 EGEDRM N#Cc1ccccc1OC1CN(Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237802788 1376988393 /nfs/dbraw/zinc/98/83/93/1376988393.db2.gz PHRGCIGOUCYBMF-UHFFFAOYSA-N -1 0 332.762 3.320 20 30 EGEDRM COc1nc(-c2cc(OC(F)(F)F)ccc2[O-])c(F)cc1C#N ZINC001244458408 1377037030 /nfs/dbraw/zinc/03/70/30/1377037030.db2.gz KNSMWONBOJWXBG-UHFFFAOYSA-N -1 0 328.221 3.372 20 30 EGEDRM CCOC(=O)Nc1ccc(NC(=O)c2ccc(F)c([O-])c2)cc1C#N ZINC001137705137 1377598887 /nfs/dbraw/zinc/59/88/87/1377598887.db2.gz GLKPVZJIUANTRW-UHFFFAOYSA-N -1 0 343.314 3.224 20 30 EGEDRM Cc1cc(Cl)ccc1OCC(=O)Nc1cc(C#N)c(F)cc1[O-] ZINC001142813419 1378490812 /nfs/dbraw/zinc/49/08/12/1378490812.db2.gz MOOIEBISDAXFPK-UHFFFAOYSA-N -1 0 334.734 3.382 20 30 EGEDRM COc1ccc2c(c1)[n-]c(C(=O)Nc1ccc([C@H](C)C#N)cc1)cc2=O ZINC001154118689 1380212538 /nfs/dbraw/zinc/21/25/38/1380212538.db2.gz SOAJBNKAQKKSBF-GFCCVEGCSA-N -1 0 347.374 3.416 20 30 EGEDRM N#Cc1ccc2c(c1)CCN2C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC001299229078 1383488803 /nfs/dbraw/zinc/48/88/03/1383488803.db2.gz NYOFZBYGVNKTLN-UHFFFAOYSA-N -1 0 332.281 3.486 20 30 EGEDRM C=C(C)CN(CC)c1ncccc1S(=O)(=O)[N-]c1cccc(F)c1 ZINC001167050724 1383528105 /nfs/dbraw/zinc/52/81/05/1383528105.db2.gz DIIQXHYZGKYHRT-UHFFFAOYSA-N -1 0 349.431 3.424 20 30 EGEDRM N#Cc1nc(NC(=O)C2(c3c(Cl)cccc3Cl)CC2)[n-]c1C#N ZINC001300045209 1383640989 /nfs/dbraw/zinc/64/09/89/1383640989.db2.gz XNOYORNHKOKJIV-UHFFFAOYSA-N -1 0 346.177 3.130 20 30 EGEDRM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(Nc2cccc(C#N)n2)c1 ZINC001307116457 1383942568 /nfs/dbraw/zinc/94/25/68/1383942568.db2.gz JEAXGHBIVUUMKJ-UHFFFAOYSA-N -1 0 334.301 3.184 20 30 EGEDRM C[C@@H](CC#N)NCc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1 ZINC001171641435 1384589507 /nfs/dbraw/zinc/58/95/07/1384589507.db2.gz KDNUORNGJMJWMX-JTQLQIEISA-N -1 0 342.399 3.182 20 30 EGEDRM COc1ccc(NC(=O)c2cccc(Br)c2[O-])cc1C#N ZINC001174745879 1385143459 /nfs/dbraw/zinc/14/34/59/1385143459.db2.gz WKHSIJHUGROOIQ-UHFFFAOYSA-N -1 0 347.168 3.287 20 30 EGEDRM N#Cc1cnn(-c2ccc(F)cc2)c1Nc1csc(C(=O)[O-])c1 ZINC001176434718 1385587094 /nfs/dbraw/zinc/58/70/94/1385587094.db2.gz AXRXIRBKAREYHX-UHFFFAOYSA-N -1 0 328.328 3.386 20 30 EGEDRM CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1cc(C#N)c(F)cc1[O-] ZINC001181203144 1386958231 /nfs/dbraw/zinc/95/82/31/1386958231.db2.gz DYHCFGDBJPDBRN-UHFFFAOYSA-N -1 0 339.326 3.071 20 30 EGEDRM CN(C)Cc1cnc(/C=C2\C[C@H](C(=O)[O-])c3ccccc3C2=O)s1 ZINC001332399362 1390106308 /nfs/dbraw/zinc/10/63/08/1390106308.db2.gz FGBGYRYHHZRJHV-SHQCLWGWSA-N -1 0 342.420 3.043 20 30 EGEDRM C=CCn1c(-c2c[n-]n(CC)c2=O)nnc1N1CCC(CC)(CC)C1 ZINC001340330644 1390271775 /nfs/dbraw/zinc/27/17/75/1390271775.db2.gz DMEWVFAKAVXZNS-UHFFFAOYSA-N -1 0 344.463 3.070 20 30 EGEDRM CCCCCCCC(=O)[N-]S(=O)(=O)c1ccccc1NCC ZINC001334293316 1390512821 /nfs/dbraw/zinc/51/28/21/1390512821.db2.gz VSRMSYNXEBNOOL-UHFFFAOYSA-N -1 0 326.462 3.284 20 30 EGEDRM N#CC(=C([O-])c1ccn(CC(F)(F)F)n1)c1nc(C2CC2)cs1 ZINC001343763192 1390735476 /nfs/dbraw/zinc/73/54/76/1390735476.db2.gz SJHIGXMSOHWHCZ-VIFPVBQESA-N -1 0 340.330 3.269 20 30 EGEDRM CSc1ccc([N+](=O)[O-])c(C([O-])=C(C#N)c2cccc(F)n2)c1 ZINC001344002401 1390749455 /nfs/dbraw/zinc/74/94/55/1390749455.db2.gz ASWAZCBXAJVPDN-NSHDSACASA-N -1 0 331.328 3.341 20 30 EGEDRM C=CC[C@H](NC(=O)[C@H](CC)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC001344553860 1390799126 /nfs/dbraw/zinc/79/91/26/1390799126.db2.gz VNBFLHHLJWLKEJ-OLZOCXBDSA-N -1 0 329.318 3.345 20 30 EGEDRM CNc1ccc([N+](=O)[O-])cc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC001346003493 1390900257 /nfs/dbraw/zinc/90/02/57/1390900257.db2.gz RSZVNBMXDQBJKH-ZDUSSCGKSA-N -1 0 349.350 3.013 20 30 EGEDRM CN(C)c1nc2sc(C([O-])=C(C#N)c3cccc(F)n3)cc2s1 ZINC001347153777 1391013961 /nfs/dbraw/zinc/01/39/61/1391013961.db2.gz SCVGZIRLXCFRDE-QMMMGPOBSA-N -1 0 346.412 3.448 20 30 EGEDRM O=C(C=Cc1cc(-n2ccnc2)cs1)c1cccc(-c2nn[n-]n2)c1 ZINC000826399969 1428419811 /nfs/dbraw/zinc/41/98/11/1428419811.db2.gz LRJWIDRCWHSNDI-PLNGDYQASA-N -1 0 348.391 3.010 20 30 EGEDRM C=CCN(CCc1ccccc1)c1snc(Cl)c1-c1nn[n-]n1 ZINC000823904100 1428657089 /nfs/dbraw/zinc/65/70/89/1428657089.db2.gz UWPFCMWMWDNFCR-UHFFFAOYSA-N -1 0 346.847 3.212 20 30 EGEDRM CCSc1ccc(C(C)N=Nc2oc(C)nc2-c2nn[n-]n2)cc1 ZINC000825674130 1428907370 /nfs/dbraw/zinc/90/73/70/1428907370.db2.gz IIXXGLBBKJUQMM-UHFFFAOYSA-N -1 0 343.416 3.111 20 30 EGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cc1cc(F)ccc1C#N ZINC000819745636 1428922286 /nfs/dbraw/zinc/92/22/86/1428922286.db2.gz NGEUTMQOTUAJOP-UHFFFAOYSA-N -1 0 348.385 3.066 20 30 EGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H](C)C1CCCC1 ZINC000819743621 1429146719 /nfs/dbraw/zinc/14/67/19/1429146719.db2.gz MREVEZKWQIEVPY-CQSZACIVSA-N -1 0 339.443 3.208 20 30 EGEDRM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N3CCC(CC#N)CC3)c2c1 ZINC000826263669 1424032749 /nfs/dbraw/zinc/03/27/49/1424032749.db2.gz LQAZLLKEDLAQJI-UHFFFAOYSA-N -1 0 347.426 3.162 20 30 EGEDRM Cc1ccc2c(c1C)C(=O)C(=Cc1cccc(-c3nn[n-]n3)c1)CO2 ZINC000737379463 1424932415 /nfs/dbraw/zinc/93/24/15/1424932415.db2.gz YTHZTCJCYLUBFM-OQLLNIDSSA-N -1 0 332.363 3.142 20 30 EGEDRM O=C1C(=Cc2cc(-c3nnn[n-]3)cs2)CSc2ccccc21 ZINC000823504245 1425235445 /nfs/dbraw/zinc/23/54/45/1425235445.db2.gz NLQAPYVFFDJIJO-WEVVVXLNSA-N -1 0 326.406 3.300 20 30 EGEDRM CCC(N=Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C1CCOCC1 ZINC000825029478 1426473817 /nfs/dbraw/zinc/47/38/17/1426473817.db2.gz UBDRSASCNGHMGO-UHFFFAOYSA-N -1 0 334.811 3.125 20 30 EGEDRM C[C@H](Nc1cc(-c2nn[n-]n2)c2ccccc2n1)c1cccc(C#N)c1 ZINC000820449780 1426929279 /nfs/dbraw/zinc/92/92/79/1426929279.db2.gz CHHKSFCXKKSALV-LBPRGKRZSA-N -1 0 341.378 3.460 20 30 EGEDRM C=CCCSCc1ccc(-c2nn[n-]n2)cc1Br ZINC000823898837 1427253744 /nfs/dbraw/zinc/25/37/44/1427253744.db2.gz DJQJPAMPJLWKIO-UHFFFAOYSA-N -1 0 325.235 3.439 20 30 EGEDRM CCN(C)c1ccc(C(C)=NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821165029 1427771815 /nfs/dbraw/zinc/77/18/15/1427771815.db2.gz NKQLXMATEZXQTA-UHFFFAOYSA-N -1 0 335.415 3.159 20 30 EGEDRM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1cccc(OC(F)F)c1 ZINC000822922840 1427867893 /nfs/dbraw/zinc/86/78/93/1427867893.db2.gz KSJIOMHXJSJATG-PLNGDYQASA-N -1 0 348.334 3.426 20 30 EGEDRM c1ccc(C(CC2CC2)=NNCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000823773124 1441701332 /nfs/dbraw/zinc/70/13/32/1441701332.db2.gz PLFHNVALPCWLNX-UHFFFAOYSA-N -1 0 332.411 3.161 20 30 EGEDRM CC(=NNCc1ccccc1Cl)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823953729 1441756130 /nfs/dbraw/zinc/75/61/30/1441756130.db2.gz NJUMLQMPHOYAKG-UHFFFAOYSA-N -1 0 344.781 3.173 20 30 EGEDRM C=CCOc1ccccc1CNc1c(F)cc(-c2nn[n-]n2)cc1F ZINC000735436481 1443388522 /nfs/dbraw/zinc/38/85/22/1443388522.db2.gz KYPREEZSZKCLLG-UHFFFAOYSA-N -1 0 343.337 3.322 20 30 EGEDRM O=C(C=Cc1cc(F)c(F)c(F)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000826399933 1443412373 /nfs/dbraw/zinc/41/23/73/1443412373.db2.gz KLTGTEIPZMEZJW-OWOJBTEDSA-N -1 0 336.298 3.242 20 30 EGEDRM C=CCC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC000819733996 1443568246 /nfs/dbraw/zinc/56/82/46/1443568246.db2.gz GVAKEDJCLLYEAI-ZDUSSCGKSA-N -1 0 339.424 3.366 20 30 EGEDRM C=CCCC(N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1)C1CC1 ZINC000823888706 1443735651 /nfs/dbraw/zinc/73/56/51/1443735651.db2.gz UMICTLMQVHPUPT-UHFFFAOYSA-N -1 0 329.408 3.296 20 30 EGEDRM Cc1cc(C)c2c(c1)C(=O)C(=Cc1ccc(-c3nn[n-]n3)s1)CO2 ZINC000822195536 1443888565 /nfs/dbraw/zinc/88/85/65/1443888565.db2.gz VFPSOOKPHBBDMV-XFFZJAGNSA-N -1 0 338.392 3.204 20 30 EGEDRM C=CCN(Cc1ccc(-c2nn[n-]n2)s1)Cc1ccccc1F ZINC000823909436 1446366695 /nfs/dbraw/zinc/36/66/95/1446366695.db2.gz DICQAEJDKKXKLU-UHFFFAOYSA-N -1 0 329.404 3.256 20 30 EGEDRM C#CCCNc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000823844629 1446986707 /nfs/dbraw/zinc/98/67/07/1446986707.db2.gz DSCAULCBZURJFC-UHFFFAOYSA-N -1 0 337.358 3.020 20 30 EGEDRM C#CC[C@@H](NC(=O)N[C@H](C(=O)[O-])C1CCCCC1)c1ccccc1 ZINC000780698345 939146739 /nfs/dbraw/zinc/14/67/39/939146739.db2.gz ZDCQVTYVCHIVGF-SJORKVTESA-N -1 0 328.412 3.084 20 30 EGEDRM CC(C)c1nc(-c2nnn[n-]2)c(N=NC(C)c2cccc(F)c2F)o1 ZINC000823962579 946527186 /nfs/dbraw/zinc/52/71/86/946527186.db2.gz LNBFLJRLTDXOFI-UHFFFAOYSA-N -1 0 347.329 3.092 20 30 EGEDRM C=CCCN(OCc1ccccc1)C(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001602722092 971387480 /nfs/dbraw/zinc/38/74/80/971387480.db2.gz XPTFUSCHJPTKLN-UHFFFAOYSA-N -1 0 341.367 3.322 20 30 EGEDRM C=CCOc1ccc(CNC(=O)Nc2cccc(CC(=O)[O-])c2)cc1 ZINC001602728910 971398318 /nfs/dbraw/zinc/39/83/18/971398318.db2.gz OGQJGUYADFRLOG-UHFFFAOYSA-N -1 0 340.379 3.200 20 30 EGEDRM C=CC[C@H](C)NC(=O)Nc1cc(C(=O)[O-])ccc1Br ZINC000235064394 949844271 /nfs/dbraw/zinc/84/42/71/949844271.db2.gz PQKVYYCBWSDEIW-QMMMGPOBSA-N -1 0 327.178 3.233 20 30 EGEDRM CC(C)(Cc1ccc(C#N)cc1)NC(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001602949037 971925563 /nfs/dbraw/zinc/92/55/63/971925563.db2.gz YWVKEBBRDRTNLG-BQYQJAHWSA-N -1 0 338.363 3.000 20 30 EGEDRM C[C@@H]1CCc2c(sc(NC(=O)c3coc(C#N)c3)c2C(=O)[O-])C1 ZINC001589364343 954177278 /nfs/dbraw/zinc/17/72/78/954177278.db2.gz REQONQKKQQTPOX-MRVPVSSYSA-N -1 0 330.365 3.288 20 30 EGEDRM C[C@H]1CCc2nc(NC(=O)c3ccc(C(=O)[O-])cc3)c(C#N)cc2C1 ZINC001589365115 954183994 /nfs/dbraw/zinc/18/39/94/954183994.db2.gz GKUQOEIJQYJWNT-NSHDSACASA-N -1 0 335.363 3.029 20 30 EGEDRM C[C@@H]1CCc2sc(NC(=O)[C@](C)(C#N)CC(=O)[O-])c(C#N)c2[C@H]1C ZINC001589365132 954184060 /nfs/dbraw/zinc/18/40/60/954184060.db2.gz HJFSAPMKFFPDHO-KEYDSSBGSA-N -1 0 345.424 3.249 20 30 EGEDRM N#CCc1cccc2c1CCN(C(=O)Nc1ccccc1C(=O)[O-])C2 ZINC001594611474 956215397 /nfs/dbraw/zinc/21/53/97/956215397.db2.gz USYGVGFISIPPEQ-UHFFFAOYSA-N -1 0 335.363 3.041 20 30 EGEDRM CC(C)c1ccc(C[C@H]2CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C2)cc1 ZINC001603100618 972176864 /nfs/dbraw/zinc/17/68/64/972176864.db2.gz XIOWVSLZFFSGHP-UZLBHIALSA-N -1 0 342.439 3.206 20 30 EGEDRM N#CCSc1ccccc1NC(=O)COc1cccc(C(=O)[O-])c1 ZINC000013419057 957059137 /nfs/dbraw/zinc/05/91/37/957059137.db2.gz HQQPMGPJLORHDY-UHFFFAOYSA-N -1 0 342.376 3.018 20 30 EGEDRM Cc1cc(NC(=O)N2CCc3c(CC#N)cccc3C2)ccc1C(=O)[O-] ZINC001594319309 958108209 /nfs/dbraw/zinc/10/82/09/958108209.db2.gz IYEXJMHAHLJKSF-UHFFFAOYSA-N -1 0 349.390 3.350 20 30 EGEDRM Cc1ccc(C(=O)/C=C/C(=O)NC2(C(=O)[O-])CCCCCC2)cc1 ZINC001594342873 958310327 /nfs/dbraw/zinc/31/03/27/958310327.db2.gz AEIJTLNJCVKSFO-ZHACJKMWSA-N -1 0 329.396 3.028 20 30 EGEDRM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C1(C(=O)[O-])CCCCC1 ZINC001588440309 958329434 /nfs/dbraw/zinc/32/94/34/958329434.db2.gz UTNISQKBOFBENT-UHFFFAOYSA-N -1 0 347.459 3.404 20 30 EGEDRM C=CC[C@H](Cc1ccccc1)NC(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001588453112 958431752 /nfs/dbraw/zinc/43/17/52/958431752.db2.gz NQFGIZJAUZVIRB-ZNFPLGDCSA-N -1 0 325.364 3.295 20 30 EGEDRM C=CCCOCC(=O)Nc1sc2c(c1C(=O)[O-])CCC(C)(C)C2 ZINC001588460392 958474409 /nfs/dbraw/zinc/47/44/09/958474409.db2.gz DFZYEZBUUJXCQP-UHFFFAOYSA-N -1 0 337.441 3.492 20 30 EGEDRM C=CC[C@@H]1CCCC[C@H]1NC(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001573328162 958496759 /nfs/dbraw/zinc/49/67/59/958496759.db2.gz CBKFCQKZOVXBQI-WRWLIDTKSA-N -1 0 344.455 3.463 20 30 EGEDRM C=CC[S@](=O)(=NC(=O)c1coc(/C=C\C(=O)[O-])c1)c1ccccc1 ZINC001588469670 958519038 /nfs/dbraw/zinc/51/90/38/958519038.db2.gz STCZVMYUUOUNHS-XXXZYALBSA-N -1 0 345.376 3.231 20 30 EGEDRM C#CC[C@H](NC(=O)c1sc2cc(Cl)ccc2c1Cl)C(=O)[O-] ZINC000149795490 959027302 /nfs/dbraw/zinc/02/73/02/959027302.db2.gz OIQRREBMPRFCEZ-VIFPVBQESA-N -1 0 342.203 3.414 20 30 EGEDRM Cc1ccc(CNC(=O)Nc2ccc(C(=O)[O-])cc2F)cc1C#N ZINC001574368118 961052419 /nfs/dbraw/zinc/05/24/19/961052419.db2.gz QUPOJLYYCGZJEP-UHFFFAOYSA-N -1 0 327.315 3.026 20 30 EGEDRM N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc(C(=O)[O-])n[nH]2)cc1 ZINC001574474549 961641889 /nfs/dbraw/zinc/64/18/89/961641889.db2.gz POVNCCXOKDRNGE-OAHLLOKOSA-N -1 0 346.346 3.016 20 30 EGEDRM N#Cc1cc(NC(=O)[C@H](C(=O)[O-])C2CC2)ccc1Oc1ccccc1 ZINC001574486495 961685226 /nfs/dbraw/zinc/68/52/26/961685226.db2.gz YMCIQQNOFFTHIX-QGZVFWFLSA-N -1 0 336.347 3.400 20 30 EGEDRM C#CCSc1ccc(COC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC001573311844 962713266 /nfs/dbraw/zinc/71/32/66/962713266.db2.gz ICKBQIGYTFLKKV-GJZGRUSLSA-N -1 0 332.421 3.346 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N(CCC)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC001573326473 962805305 /nfs/dbraw/zinc/80/53/05/962805305.db2.gz XAIHUAZEFGHMHG-JKSUJKDBSA-N -1 0 337.460 3.384 20 30 EGEDRM C#Cc1ccc(NC(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)cc1 ZINC001573327012 962806557 /nfs/dbraw/zinc/80/65/57/962806557.db2.gz ABUFDRXHJRIQPJ-ZWKOTPCHSA-N -1 0 334.375 3.000 20 30 EGEDRM C=CCN(Cc1ccccc1)C(=O)Nc1cnc(C)c(C(=O)[O-])c1 ZINC001573369042 963091826 /nfs/dbraw/zinc/09/18/26/963091826.db2.gz VZWHOXGWTPEGAQ-UHFFFAOYSA-N -1 0 325.368 3.308 20 30 EGEDRM CC[C@@](C)(C#N)C(=O)Nc1cc(C(=O)[O-])ccc1Br ZINC001610120705 970676486 /nfs/dbraw/zinc/67/64/86/970676486.db2.gz MVKLUICYYHNJMW-ZDUSSCGKSA-N -1 0 325.162 3.026 20 30 EGEDRM Cc1cc(C(=O)[O-])cc(C(=O)N(Cc2ccc(C#N)cc2)C2CC2)c1 ZINC001605131645 972793938 /nfs/dbraw/zinc/79/39/38/972793938.db2.gz QYPRGDMAOPEGJA-UHFFFAOYSA-N -1 0 334.375 3.370 20 30 EGEDRM O=C([O-])CN(C(=O)c1ccc(C#Cc2ccccc2)cc1)C1CCC1 ZINC001606220982 973474975 /nfs/dbraw/zinc/47/49/75/973474975.db2.gz GCBYXMFAWZQDOJ-UHFFFAOYSA-N -1 0 333.387 3.166 20 30 EGEDRM CCC(CC)(C(=O)[O-])C(=O)Nc1ccc(Br)c(C#N)c1 ZINC001603526105 973568392 /nfs/dbraw/zinc/56/83/92/973568392.db2.gz XZAMFUVCGJUGIW-UHFFFAOYSA-N -1 0 339.189 3.150 20 30 EGEDRM N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001605612995 973930588 /nfs/dbraw/zinc/93/05/88/973930588.db2.gz ZEKFQLWUPQVHEN-WVRJYTFGSA-N -1 0 336.347 3.056 20 30 EGEDRM N#Cc1ccsc1NC(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001605622888 973944928 /nfs/dbraw/zinc/94/49/28/973944928.db2.gz HNUHMWUQSBBDCQ-CHWSQXEVSA-N -1 0 327.365 3.054 20 30 EGEDRM CC(C)Oc1ccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])cc1C#N ZINC001591788182 975968537 /nfs/dbraw/zinc/96/85/37/975968537.db2.gz RNHKIUZSFBHXJH-LSDHHAIUSA-N -1 0 330.384 3.175 20 30 EGEDRM O=C([O-])COc1ccc(CN=Nc2nc(C(F)(F)F)cs2)cc1 ZINC000755906540 978697056 /nfs/dbraw/zinc/69/70/56/978697056.db2.gz ZKUWTTIGOLQGNS-UHFFFAOYSA-N -1 0 345.302 3.071 20 30 EGEDRM COc1cccc(CN=Nc2ccc(C(=O)[O-])cn2)c1OC(C)C ZINC000763370828 978722631 /nfs/dbraw/zinc/72/26/31/978722631.db2.gz VQQBRHPGBBRXLD-UHFFFAOYSA-N -1 0 329.356 3.022 20 30 EGEDRM CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(CN=Nc2ccccc2C(=O)[O-])C1 ZINC000792941732 978800978 /nfs/dbraw/zinc/80/09/78/978800978.db2.gz REFPHTKFHGUJKY-KZULUSFZSA-N -1 0 345.399 3.040 20 30 EGEDRM C[C@H](CCc1ccc2c(c1)OCO2)NN=Cc1ccc(C(=O)[O-])cc1 ZINC000802714575 978850155 /nfs/dbraw/zinc/85/01/55/978850155.db2.gz QRZBNTSOZRPQLD-CYBMUJFWSA-N -1 0 340.379 3.058 20 30 EGEDRM C[C@H]1C(N=Nc2ncnc3sc4c(c32)CCC4)CC[C@H]1CC(=O)[O-] ZINC000814726104 978877635 /nfs/dbraw/zinc/87/76/35/978877635.db2.gz JTWUIISEBRYREO-ZJUUUORDSA-N -1 0 344.440 3.469 20 30 EGEDRM C=CC[C@H](C)NC(=O)Nc1cc(C(=O)[O-])c(F)cc1Br ZINC000825660056 978940432 /nfs/dbraw/zinc/94/04/32/978940432.db2.gz PEMDTRLFSZDFFK-ZETCQYMHSA-N -1 0 345.168 3.373 20 30 EGEDRM CCN(C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)[C@H](C)c1ccc(C#N)cc1 ZINC000829591881 979003178 /nfs/dbraw/zinc/00/31/78/979003178.db2.gz ZWICHTBTUJDEHL-KBRIMQKVSA-N -1 0 328.412 3.359 20 30 EGEDRM CC[C@@H](CNC(=O)Nc1ccccc1S[C@@H](C)CC#N)C(=O)[O-] ZINC001595154548 979659837 /nfs/dbraw/zinc/65/98/37/979659837.db2.gz OBVDNOZEGOHXDX-RYUDHWBXSA-N -1 0 335.429 3.313 20 30 EGEDRM O=C([O-])c1ccc(C(=O)Nc2cccc(C#Cc3ccccn3)c2)s1 ZINC000880600903 980204108 /nfs/dbraw/zinc/20/41/08/980204108.db2.gz WRJWHLGSLNWFIJ-UHFFFAOYSA-N -1 0 348.383 3.493 20 30 EGEDRM N#Cc1cc(N[C@H](CCC(=O)[O-])Cc2ccccc2)nc(C2CC2)n1 ZINC000900960460 980253964 /nfs/dbraw/zinc/25/39/64/980253964.db2.gz BAQHIMVYNHFTCP-OAHLLOKOSA-N -1 0 336.395 3.114 20 30 EGEDRM CC(C)C[C@H](CNC(=O)C1(c2ccc(C#N)cc2)CCCC1)C(=O)[O-] ZINC000901692606 980452728 /nfs/dbraw/zinc/45/27/28/980452728.db2.gz NTFNGJWFINWQDK-MRXNPFEDSA-N -1 0 342.439 3.233 20 30 EGEDRM C[C@@H](Cc1ccc(NCc2cc(C#N)ccc2N(C)C)cc1)C(=O)[O-] ZINC000904015133 981080677 /nfs/dbraw/zinc/08/06/77/981080677.db2.gz GITVDNQVFOSCAF-AWEZNQCLSA-N -1 0 337.423 3.500 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1c[nH]cc1Cc1ccccc1)C(=O)[O-] ZINC000907780481 981218979 /nfs/dbraw/zinc/21/89/79/981218979.db2.gz GCZXYPVCZRFWEV-QGZVFWFLSA-N -1 0 326.396 3.145 20 30 EGEDRM C=CCSc1ccccc1C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC000907956276 981245428 /nfs/dbraw/zinc/24/54/28/981245428.db2.gz DOKFOCNJPZWSKR-OSRDXIQISA-N -1 0 331.437 3.194 20 30 EGEDRM N#C[C@]1(C(=O)NCCCCC2(C(=O)[O-])CCC2)CC2CCC1CC2 ZINC000908328315 981299819 /nfs/dbraw/zinc/29/98/19/981299819.db2.gz KVJYVNUQGRAFPF-JFIBYHEFSA-N -1 0 332.444 3.248 20 30 EGEDRM C#CCC1(C(=O)NC[C@@H](C(=O)[O-])c2ccc(C)cc2)CCCCC1 ZINC000909250719 981444898 /nfs/dbraw/zinc/44/48/98/981444898.db2.gz SSAZADRHUCCSDP-QGZVFWFLSA-N -1 0 327.424 3.253 20 30 EGEDRM C=C(C)[C@H](CC(=O)Nc1nc(C(=O)[O-])c(C(C)C)s1)OCC ZINC000910704151 982073955 /nfs/dbraw/zinc/07/39/55/982073955.db2.gz WBROEYCIHZGALA-JTQLQIEISA-N -1 0 326.418 3.275 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1cc(C)n(C2CCCCC2)n1)C(=O)[O-] ZINC000910925709 982167211 /nfs/dbraw/zinc/16/72/11/982167211.db2.gz NTQZNTVUQYWWIP-OAHLLOKOSA-N -1 0 333.432 3.236 20 30 EGEDRM CCCCCCCS(=O)(=O)N[C@@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC001595709059 982290689 /nfs/dbraw/zinc/29/06/89/982290689.db2.gz RTZNDSKHAKZNLV-INIZCTEOSA-N -1 0 333.494 3.300 20 30 EGEDRM CC[C@H](C)C[C@H](Nc1ncc(Br)cc1C#N)C(=O)[O-] ZINC001594954170 982684678 /nfs/dbraw/zinc/68/46/78/982684678.db2.gz ZYJJUVLITCLOGH-KWQFWETISA-N -1 0 326.194 3.017 20 30 EGEDRM CC[C@](CNC(=O)[C@]1(C#N)CC12CCCC2)(C(=O)[O-])c1ccccc1 ZINC000923080779 982711687 /nfs/dbraw/zinc/71/16/87/982711687.db2.gz NARWMZVPKJUMKW-WOJBJXKFSA-N -1 0 340.423 3.009 20 30 EGEDRM CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C(=O)[O-])s1 ZINC001595885901 982910864 /nfs/dbraw/zinc/91/08/64/982910864.db2.gz LUYXHTANGACAMC-UHFFFAOYSA-N -1 0 328.393 3.370 20 30 EGEDRM C#CC(C)(C)NC(=O)Nc1ccc(Oc2ccnc(C(=O)[O-])c2)cc1 ZINC001588367282 983298694 /nfs/dbraw/zinc/29/86/94/983298694.db2.gz OXAUCZTVFGUKPJ-UHFFFAOYSA-N -1 0 339.351 3.105 20 30 EGEDRM C#C[C@@H](NC(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])c(C)s1)C(C)(C)C ZINC001588371952 983326527 /nfs/dbraw/zinc/32/65/27/983326527.db2.gz AQMPLNLOYOUVBT-VXGBXAGGSA-N -1 0 349.456 3.044 20 30 EGEDRM C#CC[C@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc21)C(=O)[O-] ZINC001588414042 983432789 /nfs/dbraw/zinc/43/27/89/983432789.db2.gz NAZRYFUBWCXRIA-SFHVURJKSA-N -1 0 344.370 3.108 20 30 EGEDRM C#CCOc1cccc(-c2noc(-c3ccc(C(=O)[O-])c(F)c3)n2)c1 ZINC001588498102 983543484 /nfs/dbraw/zinc/54/34/84/983543484.db2.gz WJXJTZUZOMAUFU-UHFFFAOYSA-N -1 0 338.294 3.253 20 30 EGEDRM C#CCSc1ccc(COC(=O)/C=C\c2ccc(C(=O)[O-])o2)cc1 ZINC001588509504 983553358 /nfs/dbraw/zinc/55/33/58/983553358.db2.gz IVUUJZCUDSDCOQ-POHAHGRESA-N -1 0 342.372 3.460 20 30 EGEDRM C#Cc1ccc(NC(=O)N[C@@H](CC(=O)[O-])c2ccc(OC)cc2)cc1 ZINC001588517949 983567376 /nfs/dbraw/zinc/56/73/76/983567376.db2.gz KCZCNQRSGUOIIY-KRWDZBQOSA-N -1 0 338.363 3.014 20 30 EGEDRM C=C(C)C(C)(C)C(=O)Nc1ccc(OCC(=O)[O-])c2ncccc12 ZINC001588529597 983581828 /nfs/dbraw/zinc/58/18/28/983581828.db2.gz AOUJQROFXPTCSR-UHFFFAOYSA-N -1 0 328.368 3.239 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)c1cc(Br)ccc1CC)C(=O)[O-] ZINC001588543114 983610588 /nfs/dbraw/zinc/61/05/88/983610588.db2.gz DOIQSLTUAXLJCL-CYBMUJFWSA-N -1 0 340.217 3.161 20 30 EGEDRM C=C(C)C[C@H](NC(=O)c1ccc(Br)cc1Cl)C(=O)[O-] ZINC001588546426 983615614 /nfs/dbraw/zinc/61/56/14/983615614.db2.gz KUNJQAWTPKUHDO-NSHDSACASA-N -1 0 346.608 3.252 20 30 EGEDRM C=C(C)C[C@H](NC(=O)c1ccc(Oc2ccccc2C)cn1)C(=O)[O-] ZINC001588547288 983619203 /nfs/dbraw/zinc/61/92/03/983619203.db2.gz WPDMULBWMUIKQS-INIZCTEOSA-N -1 0 340.379 3.332 20 30 EGEDRM C=C(C)CCC(=O)N(CC(=O)[O-])Cc1ccc(C(F)(F)F)cc1 ZINC001588554585 983631142 /nfs/dbraw/zinc/63/11/42/983631142.db2.gz KGYKFHBDNXDKPN-UHFFFAOYSA-N -1 0 329.318 3.475 20 30 EGEDRM C=C(C)C[C@@H](Nc1ncnc2c(Cl)cc([N+](=O)[O-])cc12)C(=O)[O-] ZINC001588554948 983632748 /nfs/dbraw/zinc/63/27/48/983632748.db2.gz VMHRMBQXMYIDJB-LLVKDONJSA-N -1 0 336.735 3.023 20 30 EGEDRM C=C(C)C[C@@H](NS(=O)(=O)c1ccc(C(C)(C)CC)cc1)C(=O)[O-] ZINC001588555601 983636231 /nfs/dbraw/zinc/63/62/31/983636231.db2.gz NANLBLWQEVDBKP-OAHLLOKOSA-N -1 0 339.457 3.072 20 30 EGEDRM C=C(CC)CNC(=O)Nc1cc(C(=O)[O-])c(NC(C)=O)cc1Cl ZINC001588606681 983698124 /nfs/dbraw/zinc/69/81/24/983698124.db2.gz DQKFDWQLHAYOKG-UHFFFAOYSA-N -1 0 339.779 3.084 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N1CC(Cc2ccccc2C(F)(F)F)C1 ZINC001588612239 983702256 /nfs/dbraw/zinc/70/22/56/983702256.db2.gz LMHDDXUCPRZQQC-UHFFFAOYSA-N -1 0 341.329 3.127 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N1CC[C@@H](c2cccc(OC)c2)C1(C)C ZINC001588614482 983707856 /nfs/dbraw/zinc/70/78/56/983707856.db2.gz WSDAHVDEKNQLJL-INIZCTEOSA-N -1 0 331.412 3.211 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H](CC)c1ccccc1OC(F)F ZINC001588621343 983718689 /nfs/dbraw/zinc/71/86/89/983718689.db2.gz CFICUIULABYRGQ-LBPRGKRZSA-N -1 0 327.327 3.276 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H](c1ccccc1)c1ccc(OC)cc1 ZINC001588621714 983720489 /nfs/dbraw/zinc/72/04/89/983720489.db2.gz IPUVTQPJJCVLJP-IBGZPJMESA-N -1 0 339.391 3.322 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC001588622175 983722245 /nfs/dbraw/zinc/72/22/45/983722245.db2.gz QKKDDBPYIZFZDZ-ZIAGYGMSSA-N -1 0 341.411 3.126 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC001588622149 983722265 /nfs/dbraw/zinc/72/22/65/983722265.db2.gz QDECYVWENDRXSN-LBPRGKRZSA-N -1 0 333.281 3.356 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc2c(c1)nc(C(C)(C)C)n2C ZINC001588634654 983753323 /nfs/dbraw/zinc/75/33/23/983753323.db2.gz ZGJVSIRZODKERA-UHFFFAOYSA-N -1 0 329.400 3.230 20 30 EGEDRM C=CC(C)(C)CCCNC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001588673121 983828794 /nfs/dbraw/zinc/82/87/94/983828794.db2.gz KEPGUFQTIVNHAB-DLBZAZTESA-N -1 0 344.455 3.489 20 30 EGEDRM C=C[C@H](Sc1nc2sc(C)c(C)c2c(=O)n1C(C)C)C(=O)[O-] ZINC001588714257 983950662 /nfs/dbraw/zinc/95/06/62/983950662.db2.gz DJSFAQTVOIFUCV-JTQLQIEISA-N -1 0 338.454 3.387 20 30 EGEDRM C=CC1CCN(C(=O)Nc2ccc(O[C@H](C)C(=O)[O-])c(F)c2)CC1 ZINC001588719932 983963930 /nfs/dbraw/zinc/96/39/30/983963930.db2.gz HFUDGTYJDOAURD-LLVKDONJSA-N -1 0 336.363 3.108 20 30 EGEDRM C=CC[C@@H](C(=O)[O-])N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC001588732322 984018320 /nfs/dbraw/zinc/01/83/20/984018320.db2.gz ZKHGGRAJHFQYEZ-HNNXBMFYSA-N -1 0 349.228 3.318 20 30 EGEDRM C=CC[C@H](CC)NC(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC001588735863 984020662 /nfs/dbraw/zinc/02/06/62/984020662.db2.gz NBQURXAKOZPVJZ-ZDUSSCGKSA-N -1 0 341.411 3.289 20 30 EGEDRM C=CC[C@@H](Sc1ccc(Br)cc1[N+](=O)[O-])C(=O)[O-] ZINC001588757941 984104175 /nfs/dbraw/zinc/10/41/75/984104175.db2.gz CNEDDCWTOFWDPB-SNVBAGLBSA-N -1 0 332.175 3.479 20 30 EGEDRM C=CCC1(C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)[O-])CCCCC1 ZINC001588764797 984123381 /nfs/dbraw/zinc/12/33/81/984123381.db2.gz JGPLAINVNHNKHW-INIZCTEOSA-N -1 0 333.403 3.464 20 30 EGEDRM C=CCC1(NS(=O)(=O)c2ccc(Cl)cc2C(=O)[O-])CCCC1 ZINC001588769481 984133359 /nfs/dbraw/zinc/13/33/59/984133359.db2.gz VOWRQNURPLDMIR-UHFFFAOYSA-N -1 0 343.832 3.205 20 30 EGEDRM C=CCC[C@@H](C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1)c1ccccc1 ZINC001588777134 984155574 /nfs/dbraw/zinc/15/55/74/984155574.db2.gz URFPMGOEDPKLSV-MRXNPFEDSA-N -1 0 341.411 3.391 20 30 EGEDRM C=CCCC(C)(C)NS(=O)(=O)c1cccc(Cl)c1C(=O)[O-] ZINC001588777763 984158114 /nfs/dbraw/zinc/15/81/14/984158114.db2.gz JITLKIJJCZQNJL-UHFFFAOYSA-N -1 0 331.821 3.061 20 30 EGEDRM C=CCCC1(CNC(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)CCCC1 ZINC001588782124 984170579 /nfs/dbraw/zinc/17/05/79/984170579.db2.gz PVPRFSGHAGEAIM-KXBFYZLASA-N -1 0 334.460 3.409 20 30 EGEDRM C=CCCC[C@H](NC(=O)Cc1c(CC)oc2ccccc21)C(=O)[O-] ZINC001588789165 984197690 /nfs/dbraw/zinc/19/76/90/984197690.db2.gz ZZHXEWNQDSDJMU-HNNXBMFYSA-N -1 0 329.396 3.463 20 30 EGEDRM C=CCCC[C@H](NC(=O)[C@H]1CC(C)(C)Oc2ccccc21)C(=O)[O-] ZINC001588790269 984205338 /nfs/dbraw/zinc/20/53/38/984205338.db2.gz UORBRBGJFXHMGJ-GJZGRUSLSA-N -1 0 331.412 3.257 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1cc(Br)c(C)s1)C(=O)[O-] ZINC001588792300 984207910 /nfs/dbraw/zinc/20/79/10/984207910.db2.gz CGFPNRHPTATCKV-SNVBAGLBSA-N -1 0 346.246 3.358 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1ccc(Br)cc1F)C(=O)[O-] ZINC001588793116 984216503 /nfs/dbraw/zinc/21/65/03/984216503.db2.gz SREVRANPZUNIHE-LBPRGKRZSA-N -1 0 344.180 3.128 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1cccc(C(=O)c2ccco2)c1)C(=O)[O-] ZINC001588793264 984217575 /nfs/dbraw/zinc/21/75/75/984217575.db2.gz NPWFPZNZLDPEHE-HNNXBMFYSA-N -1 0 341.363 3.050 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1ncsc1Nc1ccccc1)C(=O)[O-] ZINC001588797306 984229376 /nfs/dbraw/zinc/22/93/76/984229376.db2.gz BZDASKCRMZGLSJ-CYBMUJFWSA-N -1 0 345.424 3.426 20 30 EGEDRM C=CCCCCCCNC(=O)N1CCOc2c(cccc2C(=O)[O-])C1 ZINC001588798433 984235862 /nfs/dbraw/zinc/23/58/62/984235862.db2.gz FKAKAQLUYAEAEN-UHFFFAOYSA-N -1 0 346.427 3.425 20 30 EGEDRM C=CCCC[C@H](NS(=O)(=O)c1c(C)ccc2ccccc21)C(=O)[O-] ZINC001588798412 984236134 /nfs/dbraw/zinc/23/61/34/984236134.db2.gz DSNGIHXANUPZKQ-INIZCTEOSA-N -1 0 347.436 3.236 20 30 EGEDRM C=CCN(C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1)[C@@H](C)COC ZINC001588820817 984287036 /nfs/dbraw/zinc/28/70/36/984287036.db2.gz UNHCUONUQLZWAB-VIFPVBQESA-N -1 0 344.770 3.232 20 30 EGEDRM C=CCN(CCC#N)C(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC001588826511 984304334 /nfs/dbraw/zinc/30/43/34/984304334.db2.gz HONZISHCCVJIIH-UHFFFAOYSA-N -1 0 331.372 3.106 20 30 EGEDRM C=CCN(Cc1ccccc1F)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001588831736 984316192 /nfs/dbraw/zinc/31/61/92/984316192.db2.gz MOFXRWCBHVGGCS-UHFFFAOYSA-N -1 0 331.347 3.083 20 30 EGEDRM C=CCOc1ccc(CC(=O)Nc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC001588873422 984444127 /nfs/dbraw/zinc/44/41/27/984444127.db2.gz AAKQWYAMFQILLK-UHFFFAOYSA-N -1 0 329.327 3.270 20 30 EGEDRM C=CCOc1ccc(CC(=O)Nc2ccc(C(=O)[O-])cc2OC)cc1 ZINC001588873426 984444190 /nfs/dbraw/zinc/44/41/90/984444190.db2.gz AAOGDIWWJHSHFP-UHFFFAOYSA-N -1 0 341.363 3.139 20 30 EGEDRM C=CCOc1ccc(CNC(=O)Nc2ccc(C(=O)[O-])cc2F)cc1 ZINC001588873840 984446575 /nfs/dbraw/zinc/44/65/75/984446575.db2.gz NBNIQQZHLRKVLN-UHFFFAOYSA-N -1 0 344.342 3.410 20 30 EGEDRM C=CCc1ccc(OC(=O)Cc2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC001588885136 984465874 /nfs/dbraw/zinc/46/58/74/984465874.db2.gz CCLRFODMEVRBKG-UHFFFAOYSA-N -1 0 326.348 3.270 20 30 EGEDRM C=CCn1c(-c2cc(C)oc2C)nnc1N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001588886158 984471131 /nfs/dbraw/zinc/47/11/31/984471131.db2.gz BJOSLIWCUIMNSF-GOSISDBHSA-N -1 0 344.415 3.032 20 30 EGEDRM C=CCn1c(SCc2cccc(C(=O)[O-])n2)nnc1-c1ccco1 ZINC001588907151 984538412 /nfs/dbraw/zinc/53/84/12/984538412.db2.gz DAPRZHLQYSNHIU-UHFFFAOYSA-N -1 0 342.380 3.110 20 30 EGEDRM C=CCn1cc2ccc(NC(=O)c3cc(C(=O)[O-])oc3C)cc2n1 ZINC001588908964 984540946 /nfs/dbraw/zinc/54/09/46/984540946.db2.gz CAFWWDHIICPHJR-UHFFFAOYSA-N -1 0 325.324 3.074 20 30 EGEDRM CC#CCCCC(=O)Nc1cc(C(=O)[O-])c(F)cc1Br ZINC001588927440 984599317 /nfs/dbraw/zinc/59/93/17/984599317.db2.gz YDIITYOVGFPDJH-UHFFFAOYSA-N -1 0 342.164 3.419 20 30 EGEDRM CC(=NNc1ccc(C)c(C(=O)[O-])c1)c1ccc(-n2cncn2)cc1 ZINC001589016493 984995789 /nfs/dbraw/zinc/99/57/89/984995789.db2.gz PTRQVUPOSHMIRF-UHFFFAOYSA-N -1 0 335.367 3.110 20 30 EGEDRM CCOC(=O)c1cccnc1SCc1cccc(C(=O)[O-])c1C#N ZINC001596732146 985008867 /nfs/dbraw/zinc/00/88/67/985008867.db2.gz SZQGIOFHYJXUSZ-UHFFFAOYSA-N -1 0 342.376 3.120 20 30 EGEDRM CCOC(=O)c1oc2c(c1C)C(=O)/C(=C/c1ccc(C(=O)[O-])o1)CC2 ZINC001596755176 985123532 /nfs/dbraw/zinc/12/35/32/985123532.db2.gz MUWXMGNYFVCBRB-CSKARUKUSA-N -1 0 344.319 3.268 20 30 EGEDRM C[C@H]1CN(c2c(C#N)cnc3c(Cl)cccc32)C[C@]1(C)C(=O)[O-] ZINC001599932446 985339893 /nfs/dbraw/zinc/33/98/93/985339893.db2.gz WJORSHWATBSYBJ-BTDLBPIBSA-N -1 0 329.787 3.307 20 30 EGEDRM Cc1c(Br)ccc(C(=O)[O-])c1NC(=O)CCCC#N ZINC001599971638 986017484 /nfs/dbraw/zinc/01/74/84/986017484.db2.gz YUABJVPEFGQDKD-UHFFFAOYSA-N -1 0 325.162 3.088 20 30 EGEDRM Cc1c(C#N)cccc1C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001599973474 986048362 /nfs/dbraw/zinc/04/83/62/986048362.db2.gz VECLAYHEVYSUSH-QGZVFWFLSA-N -1 0 336.391 3.449 20 30 EGEDRM Cc1c(C#N)cccc1NC(=O)N[C@H](CC(=O)[O-])Cc1ccccc1 ZINC001599975289 986080199 /nfs/dbraw/zinc/08/01/99/986080199.db2.gz YTPDRMDUBBFGPP-INIZCTEOSA-N -1 0 337.379 3.074 20 30 EGEDRM CCOc1cc(C#N)cc(Cl)c1OC(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001596993573 986285429 /nfs/dbraw/zinc/28/54/29/986285429.db2.gz LMXXPMYGILPLIG-UHFFFAOYSA-N -1 0 349.726 3.429 20 30 EGEDRM C[C@H]1Cc2c(C#N)c(NC(=O)[C@H]3CC[C@H]3C(=O)[O-])sc2[C@H](C)C1 ZINC001594612742 986612382 /nfs/dbraw/zinc/61/23/82/986612382.db2.gz WABCMOSHDXOAPC-CHWFTXMASA-N -1 0 332.425 3.355 20 30 EGEDRM CC(C)(C(=O)Nc1cc(C(=O)[O-])ccc1F)c1ccc(C#N)cc1 ZINC001589579125 987357192 /nfs/dbraw/zinc/35/71/92/987357192.db2.gz CLZNSFADVGKFIM-UHFFFAOYSA-N -1 0 326.327 3.312 20 30 EGEDRM CCc1c(C)sc(NC(=O)Cc2ccc(C(=O)[O-])cc2)c1C#N ZINC001597416877 987722455 /nfs/dbraw/zinc/72/24/55/987722455.db2.gz XJWTWWPYXKJCKG-UHFFFAOYSA-N -1 0 328.393 3.370 20 30 EGEDRM CCc1cc(C(=O)[O-])ccc1NC(=O)NCC1CCC(C#N)CC1 ZINC001597458481 987882264 /nfs/dbraw/zinc/88/22/64/987882264.db2.gz UCMWCVZCRGGCPN-UHFFFAOYSA-N -1 0 329.400 3.399 20 30 EGEDRM C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1ccc(C#N)c(Cl)c1 ZINC001599832652 988696604 /nfs/dbraw/zinc/69/66/04/988696604.db2.gz YHBOHTOVZQHPGO-LBPRGKRZSA-N -1 0 342.782 3.327 20 30 EGEDRM CCc1oc(C=NN2C(=S)N=NC2c2cccs2)cc1C(=O)[O-] ZINC001597792968 989337504 /nfs/dbraw/zinc/33/75/04/989337504.db2.gz OENGJSBRAMKBNC-UHFFFAOYSA-N -1 0 348.409 3.031 20 30 EGEDRM CC(C)(C)Oc1ccc(NC(=O)c2csc(C(=O)[O-])n2)cc1C#N ZINC001590409497 989947425 /nfs/dbraw/zinc/94/74/25/989947425.db2.gz RFRNSNICVPSUPW-UHFFFAOYSA-N -1 0 345.380 3.143 20 30 EGEDRM CN(C(=O)Cc1cccc(C(=O)[O-])c1)c1cc(Cl)ccc1C#N ZINC001598037305 990266109 /nfs/dbraw/zinc/26/61/09/990266109.db2.gz XWZCIBUZZLKVOO-UHFFFAOYSA-N -1 0 328.755 3.115 20 30 EGEDRM CC(C)(Oc1ccc(C#N)cc1)C(=O)OCc1csc(C(=O)[O-])c1 ZINC001590904776 990867078 /nfs/dbraw/zinc/86/70/78/990867078.db2.gz NBOKPEXAGICILW-UHFFFAOYSA-N -1 0 345.376 3.219 20 30 EGEDRM CC(C)(Oc1ccccc1)C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001590907092 990871357 /nfs/dbraw/zinc/87/13/57/990871357.db2.gz LNFGIDJSVFSZBA-INIZCTEOSA-N -1 0 339.347 3.085 20 30 EGEDRM COc1ccnc(C(=O)/C=C/c2cc(C)c(OCC(=O)[O-])c(C)c2)c1 ZINC001599721498 991547054 /nfs/dbraw/zinc/54/70/54/991547054.db2.gz UATPZJAAZMXGFV-SNAWJCMRSA-N -1 0 341.363 3.067 20 30 EGEDRM CN(Cc1cc(C#N)cs1)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001598506708 992513738 /nfs/dbraw/zinc/51/37/38/992513738.db2.gz FSYJAKSWPLFQLC-UHFFFAOYSA-N -1 0 333.344 3.121 20 30 EGEDRM CN(Cc1ccc(C#N)cc1)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001598509319 992549462 /nfs/dbraw/zinc/54/94/62/992549462.db2.gz QQSSXZILGGWJBH-UHFFFAOYSA-N -1 0 345.742 3.454 20 30 EGEDRM CN(Cc1ccc(C(=O)[O-])cc1)c1ncc(C#N)cc1Br ZINC001598513422 992589960 /nfs/dbraw/zinc/58/99/60/992589960.db2.gz KQHKXAYAORQGMQ-UHFFFAOYSA-N -1 0 346.184 3.050 20 30 EGEDRM C[C@H](NCc1ccccc1C(C)(C)C#N)c1ncc(C(=O)[O-])s1 ZINC001593303563 994736084 /nfs/dbraw/zinc/73/60/84/994736084.db2.gz GJLQONZGAPVXJD-NSHDSACASA-N -1 0 329.425 3.493 20 30 EGEDRM C[C@H](c1cccc(C#N)c1)N(C)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC001593697944 996159746 /nfs/dbraw/zinc/15/97/46/996159746.db2.gz BUCHWSFYHAJCQY-CQSZACIVSA-N -1 0 336.391 3.409 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1NC(=O)c1cccc(SCC#N)c1 ZINC001599386231 996950386 /nfs/dbraw/zinc/95/03/86/996950386.db2.gz IGGDBGJXUZJZNG-UHFFFAOYSA-N -1 0 342.376 3.261 20 30 EGEDRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)/C=C/c1ccccc1C#N ZINC001599396215 997130128 /nfs/dbraw/zinc/13/01/28/997130128.db2.gz LHJCDDJJVLXWSY-BDLVGCLISA-N -1 0 349.342 3.283 20 30 EGEDRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)C1(C#N)CCCCC1 ZINC001599399782 997193297 /nfs/dbraw/zinc/19/32/97/997193297.db2.gz OSIXDXSSOHZTKY-SOFGYWHQSA-N -1 0 329.352 3.172 20 30 EGEDRM COc1ccc([C@H](C)NCc2cccc(C(=O)[O-])c2C#N)cc1F ZINC001599508387 997252669 /nfs/dbraw/zinc/25/26/69/997252669.db2.gz OCMMSHULHXUULB-NSHDSACASA-N -1 0 328.343 3.255 20 30 EGEDRM COc1cc(CNc2ccc(C(=O)[O-])nc2C#N)ccc1OC(C)C ZINC001599418465 997551649 /nfs/dbraw/zinc/55/16/49/997551649.db2.gz KWBIPUPVBBUCDW-UHFFFAOYSA-N -1 0 341.367 3.059 20 30 EGEDRM COC(=O)c1cc(CSc2cccc(F)c2C#N)cc(C(=O)[O-])c1 ZINC001598933991 997826309 /nfs/dbraw/zinc/82/63/09/997826309.db2.gz BOODBEMHLNXAPM-UHFFFAOYSA-N -1 0 345.351 3.474 20 30 EGEDRM COc1cc(OC(=O)c2cc(C(=O)[O-])ccc2Cl)ccc1C#N ZINC001599447379 998030341 /nfs/dbraw/zinc/03/03/41/998030341.db2.gz KCIDYHQJURBKHS-UHFFFAOYSA-N -1 0 331.711 3.138 20 30 EGEDRM COCCOc1ccccc1C=NNc1ccc(C)c(C(=O)[O-])c1 ZINC001599260199 998372741 /nfs/dbraw/zinc/37/27/41/998372741.db2.gz KRBGRNCRFJVPSU-UHFFFAOYSA-N -1 0 328.368 3.164 20 30 EGEDRM COC(=O)c1ccc(N=NC(C)CC(C)(C)CC(=O)[O-])c(OC)c1 ZINC001598984667 998689455 /nfs/dbraw/zinc/68/94/55/998689455.db2.gz WMGPDLJKWKGVCJ-UHFFFAOYSA-N -1 0 336.388 3.161 20 30 EGEDRM Cn1nc(C2CCCCC2)cc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000129031393 223013621 /nfs/dbraw/zinc/01/36/21/223013621.db2.gz BKGAHRGHDSUXJZ-UHFFFAOYSA-N -1 0 344.440 3.140 20 30 EGEDRM CC(C)CCOc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cn2)cc1 ZINC000110122020 220017477 /nfs/dbraw/zinc/01/74/77/220017477.db2.gz SVOGHJINQRRYDB-UHFFFAOYSA-N -1 0 345.424 3.179 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccnc3)cc2)o1 ZINC000341201278 141137230 /nfs/dbraw/zinc/13/72/30/141137230.db2.gz MJKDTBPYLNONMB-UHFFFAOYSA-N -1 0 341.348 3.139 20 30 EGEDRM COc1cc([N-]S(=O)(=O)c2ccccc2C#N)ccc1OC(C)C ZINC000184974012 144101769 /nfs/dbraw/zinc/10/17/69/144101769.db2.gz HFUZFEPEARSKNI-UHFFFAOYSA-N -1 0 346.408 3.155 20 30 EGEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(Cl)c(F)c2)c(F)c1 ZINC000341390428 155263869 /nfs/dbraw/zinc/26/38/69/155263869.db2.gz CDIYIOLLMNNDOM-UHFFFAOYSA-N -1 0 346.717 3.430 20 30 EGEDRM CCn1c2ccc(C#N)cc2nc1-c1ccc(OCCC(=O)[O-])cc1 ZINC000340083830 155092853 /nfs/dbraw/zinc/09/28/53/155092853.db2.gz XHUVCWYCJHDTIA-UHFFFAOYSA-N -1 0 335.363 3.448 20 30 EGEDRM CC(C)CSCCCNS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000355715469 166288395 /nfs/dbraw/zinc/28/83/95/166288395.db2.gz FUOSEQCRJQVIDR-UHFFFAOYSA-N -1 0 346.905 3.269 20 30 EGEDRM C[C@@H](Cc1ccccc1)n1cccc1C(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC000359186735 167090417 /nfs/dbraw/zinc/09/04/17/167090417.db2.gz QRYWUNQAJNGPRI-ZDUSSCGKSA-N -1 0 344.378 3.011 20 30 EGEDRM CCc1c([N-]S(=O)(=O)c2ccccc2C#N)cnn1C(CC)CC ZINC000359659620 167203903 /nfs/dbraw/zinc/20/39/03/167203903.db2.gz HXESSVBPBWFSPN-UHFFFAOYSA-N -1 0 346.456 3.479 20 30 EGEDRM Cc1ccccc1-c1nc(C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)cs1 ZINC000359720291 167214148 /nfs/dbraw/zinc/21/41/48/167214148.db2.gz BHHQEBPGYIXGSD-UHFFFAOYSA-N -1 0 349.419 3.265 20 30 EGEDRM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccccc1-c1ccno1 ZINC000359742425 167220226 /nfs/dbraw/zinc/22/02/26/167220226.db2.gz AMUPWPNZKORAEB-UHFFFAOYSA-N -1 0 339.376 3.323 20 30 EGEDRM C[C@@H](N=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1)c1ccc(C#N)cc1 ZINC000362739504 167831498 /nfs/dbraw/zinc/83/14/98/167831498.db2.gz BEEPTVHCNPCKTN-LLVKDONJSA-N -1 0 335.323 3.111 20 30 EGEDRM CC(C)n1cc(C#N)c(=NC(=O)C2CCC(C(F)(F)F)CC2)[n-]1 ZINC000435827073 270051285 /nfs/dbraw/zinc/05/12/85/270051285.db2.gz NLSYNZNEYBXNNS-UHFFFAOYSA-N -1 0 328.338 3.065 20 30 EGEDRM CCCc1n[n-]c(=NC(=O)N(C)[C@H](C)c2cccc(C#N)c2)s1 ZINC000425623733 267043070 /nfs/dbraw/zinc/04/30/70/267043070.db2.gz PSTZVOYPMGUGRR-LLVKDONJSA-N -1 0 329.429 3.009 20 30 EGEDRM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1c[nH]c2cccc(F)c21 ZINC000185223320 267391652 /nfs/dbraw/zinc/39/16/52/267391652.db2.gz HDFYWSQVZXMHTB-UHFFFAOYSA-N -1 0 329.356 3.288 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2N2CCCCCC2)o1 ZINC000288663810 268208376 /nfs/dbraw/zinc/20/83/76/268208376.db2.gz VOLCTZYFCSXIFX-UHFFFAOYSA-N -1 0 345.424 3.332 20 30 EGEDRM N#Cc1nc(NC(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)[n-]c1C#N ZINC000175293401 268324131 /nfs/dbraw/zinc/32/41/31/268324131.db2.gz CMCYAYVYHKBSSS-WDEREUQCSA-N -1 0 346.177 3.202 20 30 EGEDRM N#Cc1ccccc1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000007056970 275117455 /nfs/dbraw/zinc/11/74/55/275117455.db2.gz DPIFFZBJIPPKSU-UHFFFAOYSA-N -1 0 343.227 3.183 20 30 EGEDRM N#Cc1cccc(Cl)c1N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000290600259 276517522 /nfs/dbraw/zinc/51/75/22/276517522.db2.gz DTANZPXJKORRTM-SNVBAGLBSA-N -1 0 345.752 3.107 20 30 EGEDRM CCOc1ccc([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)cc1 ZINC000127950668 307592974 /nfs/dbraw/zinc/59/29/74/307592974.db2.gz CTAYYDOOUYMMIZ-UHFFFAOYSA-N -1 0 338.335 3.036 20 30 EGEDRM Cc1c([N-]S(=O)(=O)c2cccc(C)c2C#N)cnn1CCC(C)C ZINC000137773154 307718666 /nfs/dbraw/zinc/71/86/66/307718666.db2.gz NMWMWWRWNAZCBR-UHFFFAOYSA-N -1 0 346.456 3.219 20 30 EGEDRM CN(Cc1c([O-])nnn1-c1ccccc1)c1cc(Cl)ccc1C#N ZINC000164961226 307928661 /nfs/dbraw/zinc/92/86/61/307928661.db2.gz KZMLDVMKAJSUHB-UHFFFAOYSA-N -1 0 339.786 3.134 20 30 EGEDRM N#Cc1cc(C(=O)N=c2ccc(-c3ccccc3)n[n-]2)ccc1Cl ZINC000537167266 314165718 /nfs/dbraw/zinc/16/57/18/314165718.db2.gz ZURVVYXUTMAICE-UHFFFAOYSA-N -1 0 334.766 3.343 20 30 EGEDRM CCCOc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C#N)cc1 ZINC000537270755 314170991 /nfs/dbraw/zinc/17/09/91/314170991.db2.gz LEBMTDJIJOKCNM-UHFFFAOYSA-N -1 0 330.409 3.456 20 30 EGEDRM CC[C@@H](C)n1ncc2c1nc(/C=C/c1cc(C#N)n(C)c1)cc2C(=O)[O-] ZINC000572606045 317364273 /nfs/dbraw/zinc/36/42/73/317364273.db2.gz CABIVSJDGKEGKL-BTDICHCPSA-N -1 0 349.394 3.481 20 30 EGEDRM CC(C)[C@@H](Oc1ccccc1-c1ccc(C#N)cc1CO)C(=O)[O-] ZINC000579860252 325169508 /nfs/dbraw/zinc/16/95/08/325169508.db2.gz AWKXXJMTPMISGR-GOSISDBHSA-N -1 0 325.364 3.206 20 30 EGEDRM CC(C)c1csc(C(C#N)=C([O-])c2cccc3c2oc(=O)n3C)n1 ZINC000157776402 455230836 /nfs/dbraw/zinc/23/08/36/455230836.db2.gz UJIQPEKXRPJXJK-NSHDSACASA-N -1 0 341.392 3.201 20 30 EGEDRM CCOCc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2F)c1 ZINC000158119735 455271207 /nfs/dbraw/zinc/27/12/07/455271207.db2.gz CTLJDJCPGMSHSW-UHFFFAOYSA-N -1 0 334.372 3.035 20 30 EGEDRM N#Cc1cnc(N2CCC(c3ncc(C(=O)[O-])s3)CC2)c(Cl)c1 ZINC000600678697 460566734 /nfs/dbraw/zinc/56/67/34/460566734.db2.gz SEUUSESCQSYAPC-UHFFFAOYSA-N -1 0 348.815 3.145 20 30 EGEDRM CCc1cccc(S(=O)(=O)[N-]c2ncccc2OCCCC#N)c1 ZINC000083577301 453952779 /nfs/dbraw/zinc/95/27/79/453952779.db2.gz VXAHXFMAKSTVOV-UHFFFAOYSA-N -1 0 345.424 3.127 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2ncccc2OCC(F)(F)F)n1 ZINC000083937545 453961451 /nfs/dbraw/zinc/96/14/51/453961451.db2.gz SQLHHYHVOMTQQV-SECBINFHSA-N -1 0 341.314 3.278 20 30 EGEDRM CSc1ncc(Cl)c(C([O-])=C(C#N)c2nc3ccccc3o2)n1 ZINC000041542341 453971592 /nfs/dbraw/zinc/97/15/92/453971592.db2.gz RIADKWUDFBSULQ-MRVPVSSYSA-N -1 0 344.783 3.483 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2OC(F)F)s1 ZINC000076195381 453977860 /nfs/dbraw/zinc/97/78/60/453977860.db2.gz FCJPYIWZIHTXJT-UHFFFAOYSA-N -1 0 344.364 3.330 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(F)ccc2C)n1 ZINC000067894417 453978298 /nfs/dbraw/zinc/97/82/98/453978298.db2.gz FRGOKZYRZQUIBW-GFCCVEGCSA-N -1 0 332.356 3.257 20 30 EGEDRM Cc1cc2cccnc2c(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)c1 ZINC000076839228 454042142 /nfs/dbraw/zinc/04/21/42/454042142.db2.gz TUHVODORQTWJSU-UHFFFAOYSA-N -1 0 341.367 3.355 20 30 EGEDRM CN(C)C(=O)c1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)cc1 ZINC000077559387 454123335 /nfs/dbraw/zinc/12/33/35/454123335.db2.gz ZAPPLCMPWVNNBF-CQSZACIVSA-N -1 0 333.347 3.020 20 30 EGEDRM CC(C)Cc1nc(C(=O)[N-]S(=O)(=O)C2CCCCC2)cs1 ZINC000058080585 454162829 /nfs/dbraw/zinc/16/28/29/454162829.db2.gz FBSGCEMPSPVOJW-UHFFFAOYSA-N -1 0 330.475 3.309 20 30 EGEDRM CC(C)c1ccccc1[N-]S(=O)(=O)c1ccc(C#N)cc1[N+](=O)[O-] ZINC000130300199 454187966 /nfs/dbraw/zinc/18/79/66/454187966.db2.gz AAZRLRBYRJGAOD-UHFFFAOYSA-N -1 0 345.380 3.391 20 30 EGEDRM CC(C)(C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1)c1ccccc1 ZINC000058341545 454188540 /nfs/dbraw/zinc/18/85/40/454188540.db2.gz RUEAEHMJFOHVAV-UHFFFAOYSA-N -1 0 328.393 3.181 20 30 EGEDRM CCC[C@H](C)CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000071850165 454231439 /nfs/dbraw/zinc/23/14/39/454231439.db2.gz NTOGGFHQJPHTSG-LBPRGKRZSA-N -1 0 341.429 3.319 20 30 EGEDRM N#CC(=C([O-])c1csc(-c2ccc3c(c2)OCO3)n1)c1ccccn1 ZINC000071855189 454232236 /nfs/dbraw/zinc/23/22/36/454232236.db2.gz GIJMZWLTVIOUHE-LBPRGKRZSA-N -1 0 349.371 3.424 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])C=Cc2ccccc2)n1 ZINC000096291582 454315539 /nfs/dbraw/zinc/31/55/39/454315539.db2.gz PFVDWFYEAGGMIO-YXVBKTCISA-N -1 0 326.377 3.209 20 30 EGEDRM CCOc1ccc(C([O-])=C(C#N)c2nc(C)cs2)cc1[N+](=O)[O-] ZINC000047357891 454362465 /nfs/dbraw/zinc/36/24/65/454362465.db2.gz HTYOZUGSLBRGPZ-NSHDSACASA-N -1 0 331.353 3.249 20 30 EGEDRM CCN(CCC#N)C(=O)c1cc(Cl)cc(Br)c1[O-] ZINC000133621959 454447795 /nfs/dbraw/zinc/44/77/95/454447795.db2.gz OJNKILJTBYSFHP-UHFFFAOYSA-N -1 0 331.597 3.184 20 30 EGEDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)C=Cc1cccc(C#N)c1 ZINC000048426275 454487719 /nfs/dbraw/zinc/48/77/19/454487719.db2.gz PKAVPNJMFYKUNO-MDZDMXLPSA-N -1 0 326.377 3.225 20 30 EGEDRM Cc1nc(CSc2ccccc2C(=O)[N-]S(C)(=O)=O)cs1 ZINC000048480536 454493338 /nfs/dbraw/zinc/49/33/38/454493338.db2.gz XMPPSQRYDOGQCJ-UHFFFAOYSA-N -1 0 342.467 3.008 20 30 EGEDRM CCCNC(=O)c1cccc(C([O-])=C(C#N)c2nc(C)cs2)c1 ZINC000122213859 454514217 /nfs/dbraw/zinc/51/42/17/454514217.db2.gz KAPIBVWBIBJJPA-AWEZNQCLSA-N -1 0 327.409 3.081 20 30 EGEDRM COc1ccc(-c2nc(SCc3ccno3)[n-]c(=O)c2C#N)cc1 ZINC000073999126 454516565 /nfs/dbraw/zinc/51/65/65/454516565.db2.gz UFMPJKBWRFCDAD-UHFFFAOYSA-N -1 0 340.364 3.010 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)N(C)Cc2cccc(Cl)c2)cc1C#N ZINC000074070748 454528919 /nfs/dbraw/zinc/52/89/19/454528919.db2.gz VMFOWDABTUMEEJ-UHFFFAOYSA-N -1 0 347.827 3.306 20 30 EGEDRM O=C([N-]c1nnc(-c2ccco2)s1)c1cc(-c2cccnc2)on1 ZINC000049616432 454552989 /nfs/dbraw/zinc/55/29/89/454552989.db2.gz SYAQOCOXCFENRU-UHFFFAOYSA-N -1 0 339.336 3.484 20 30 EGEDRM C#CCN(Cc1nc(=O)c2sccc2[n-]1)[C@H]1CCc2ccccc21 ZINC000103467251 454558943 /nfs/dbraw/zinc/55/89/43/454558943.db2.gz MYCIIHPKVWUBLR-INIZCTEOSA-N -1 0 335.432 3.107 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]C(=O)C=Cc2cscn2)c(C)s1 ZINC000051901447 454641312 /nfs/dbraw/zinc/64/13/12/454641312.db2.gz SEQHTUPWYJGTJF-ONEGZZNKSA-N -1 0 328.440 3.180 20 30 EGEDRM C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC000107345170 454753058 /nfs/dbraw/zinc/75/30/58/454753058.db2.gz WDDXASGRYQCNFB-QMMMGPOBSA-N -1 0 348.193 3.277 20 30 EGEDRM C[C@@H](NCc1ccc(C(C)(C)C#N)cc1)c1nc(C(=O)[O-])cs1 ZINC000600943164 460655837 /nfs/dbraw/zinc/65/58/37/460655837.db2.gz SVEIBDVGZULNQW-LLVKDONJSA-N -1 0 329.425 3.493 20 30 EGEDRM CSc1cc(C([O-])=C(C#N)C(=O)NC2CCCCC2)ccc1F ZINC000155561450 455016130 /nfs/dbraw/zinc/01/61/30/455016130.db2.gz RPANYFDFZQODOS-CYBMUJFWSA-N -1 0 334.416 3.319 20 30 EGEDRM CC(C)c1nc(C([O-])=C(C#N)c2nnc3n2CCCCC3)cs1 ZINC000171146487 455037093 /nfs/dbraw/zinc/03/70/93/455037093.db2.gz JXFHOCBNQSGWTI-NSHDSACASA-N -1 0 329.429 3.074 20 30 EGEDRM C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1[n-]c(C(C)(C)C)c(CCC#N)c1=O ZINC000151841244 455038525 /nfs/dbraw/zinc/03/85/25/455038525.db2.gz LWRQMWYNVZLOTI-ZIAGYGMSSA-N -1 0 346.475 3.132 20 30 EGEDRM C[C@@H]1CCCC[C@H]1NC(=O)Cn1[n-]c(C(C)(C)C)c(CCC#N)c1=O ZINC000151841882 455038658 /nfs/dbraw/zinc/03/86/58/455038658.db2.gz WIAPULFYFFGNFR-UKRRQHHQSA-N -1 0 346.475 3.037 20 30 EGEDRM CC(C)(C#N)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000179419284 455046114 /nfs/dbraw/zinc/04/61/14/455046114.db2.gz TWPVUZQRKNUESQ-UHFFFAOYSA-N -1 0 325.324 3.354 20 30 EGEDRM N#Cc1nc(NC(=O)Cc2cc3c(ccc4ccccc34)o2)[n-]c1C#N ZINC000156232492 455095460 /nfs/dbraw/zinc/09/54/60/455095460.db2.gz XIHDKQAJUSUJPW-UHFFFAOYSA-N -1 0 341.330 3.234 20 30 EGEDRM N#Cc1cc(F)ccc1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000129382710 455109507 /nfs/dbraw/zinc/10/95/07/455109507.db2.gz IJQOPXNGVRLLSW-UHFFFAOYSA-N -1 0 328.727 3.291 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C#N)c2)c(C)o1 ZINC000182821285 455172150 /nfs/dbraw/zinc/17/21/50/455172150.db2.gz IUHPHIARGKQSRM-UHFFFAOYSA-N -1 0 334.397 3.356 20 30 EGEDRM CC[C@H](CC#N)NC(=O)c1nn(-c2cccc(C(C)C)c2)cc1[O-] ZINC000184161150 455357145 /nfs/dbraw/zinc/35/71/45/455357145.db2.gz NQQDNGNIXOHZJE-CQSZACIVSA-N -1 0 326.400 3.123 20 30 EGEDRM COCc1nc(C)c(C([O-])=C(C#N)c2cnc3ccccc3n2)s1 ZINC000190885570 455397498 /nfs/dbraw/zinc/39/74/98/455397498.db2.gz TWXWJKJDHKMCMP-NSHDSACASA-N -1 0 338.392 3.031 20 30 EGEDRM Cc1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)cc1[N+](=O)[O-] ZINC000190986742 455419629 /nfs/dbraw/zinc/41/96/29/455419629.db2.gz QQMVGCALHLTVMD-CYBMUJFWSA-N -1 0 332.319 3.337 20 30 EGEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(C(C)C)cc1 ZINC000184767316 455444297 /nfs/dbraw/zinc/44/42/97/455444297.db2.gz TYVDZTVMNLUGIE-UHFFFAOYSA-N -1 0 330.409 3.491 20 30 EGEDRM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(C#N)cc1OC ZINC000184764891 455444672 /nfs/dbraw/zinc/44/46/72/455444672.db2.gz BEULQJBGQBPLAC-UHFFFAOYSA-N -1 0 330.409 3.239 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])c(/C=N/C[C@@H]2CCO[C@H]2c2ccccc2)c1 ZINC000192398496 455607151 /nfs/dbraw/zinc/60/71/51/455607151.db2.gz ZZPQARYWVOYCCD-MQEIPQSASA-N -1 0 326.352 3.497 20 30 EGEDRM Cc1sccc1/C=C/C(=O)c1ccc([O-])c(CN2CCOCC2)c1 ZINC000296014039 455866574 /nfs/dbraw/zinc/86/65/74/455866574.db2.gz UAURQRQWHFKDIN-DUXPYHPUSA-N -1 0 343.448 3.490 20 30 EGEDRM CCCCCCCS(=O)(=O)[N-]c1nnc(-c2ccccn2)s1 ZINC000194795674 455885099 /nfs/dbraw/zinc/88/50/99/455885099.db2.gz RDQUZJZGNYUAON-UHFFFAOYSA-N -1 0 340.474 3.312 20 30 EGEDRM CC(C)(C)c1[n-]n(Cc2cccc3nsnc32)c(=O)c1CCC#N ZINC000270247519 455912373 /nfs/dbraw/zinc/91/23/73/455912373.db2.gz MQOFIOQNSZURKG-UHFFFAOYSA-N -1 0 341.440 3.395 20 30 EGEDRM C[C@H](C#N)CSc1ccccc1NC(=O)c1cccc2n[nH]nc21 ZINC000187824410 455957818 /nfs/dbraw/zinc/95/78/18/455957818.db2.gz GCZUJKUXXBRHGO-LLVKDONJSA-N -1 0 337.408 3.462 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2cccc(Oc3cnccn3)c2)cc1[O-] ZINC000188286919 456036017 /nfs/dbraw/zinc/03/60/17/456036017.db2.gz FFOYQKUFCRXPHR-UHFFFAOYSA-N -1 0 332.319 3.098 20 30 EGEDRM CC[C@H](C)NC(=O)c1ccc(NC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000188357441 456050163 /nfs/dbraw/zinc/05/01/63/456050163.db2.gz RNKPBAIGBOVQDI-LBPRGKRZSA-N -1 0 337.379 3.044 20 30 EGEDRM N#CC1(C(=O)N2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)[O-])C2)CCCC1 ZINC000262871298 456065080 /nfs/dbraw/zinc/06/50/80/456065080.db2.gz JDMPSXPPDOUFQL-LSDHHAIUSA-N -1 0 346.814 3.051 20 30 EGEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N/Cc2noc3c2CCCC3)c1[O-] ZINC000287299667 456066648 /nfs/dbraw/zinc/06/66/48/456066648.db2.gz SUFZMOLGVQGBTH-REZTVBANSA-N -1 0 335.747 3.440 20 30 EGEDRM C=CCC[C@H](NC(=O)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000262932901 456069870 /nfs/dbraw/zinc/06/98/70/456069870.db2.gz PCHLWLIWBLIVJC-MCIONIFRSA-N -1 0 341.329 3.345 20 30 EGEDRM C[C@H]1C[C@H](NC(=O)c2ccc(C#N)c(O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000188623091 456097102 /nfs/dbraw/zinc/09/71/02/456097102.db2.gz DQSKYBBCHALWHD-HNAYVOBHSA-N -1 0 349.434 3.047 20 30 EGEDRM C=CCn1c(C)cc(C(=O)CN2CCC[C@@H](CCC(=O)[O-])C2)c1C ZINC000263174202 456105864 /nfs/dbraw/zinc/10/58/64/456105864.db2.gz SLMLYRNUQWASGM-INIZCTEOSA-N -1 0 332.444 3.050 20 30 EGEDRM CCCN1c2ccc(NC(=O)c3ccc(C#N)c([O-])c3)cc2CCC1=O ZINC000188756846 456129925 /nfs/dbraw/zinc/12/99/25/456129925.db2.gz VQJQPTUIYNFGDK-UHFFFAOYSA-N -1 0 349.390 3.205 20 30 EGEDRM CC(C)(C)Oc1cc(F)ccc1[N-]S(=O)(=O)c1cncc(C#N)c1 ZINC000290547342 456360944 /nfs/dbraw/zinc/36/09/44/456360944.db2.gz QBBVFZVJQZRIHI-UHFFFAOYSA-N -1 0 349.387 3.070 20 30 EGEDRM N#CCc1ccccc1[N-]S(=O)(=O)c1cnc2ccsc2c1 ZINC000337800022 456554539 /nfs/dbraw/zinc/55/45/39/456554539.db2.gz GGAXRMDYPYPCJY-UHFFFAOYSA-N -1 0 329.406 3.163 20 30 EGEDRM CCNC(=O)C1(C/N=C/c2cc(Cl)cc(Cl)c2[O-])CCC1 ZINC000276935802 456624061 /nfs/dbraw/zinc/62/40/61/456624061.db2.gz VFFQGXQEPRWADZ-QGMBQPNBSA-N -1 0 329.227 3.424 20 30 EGEDRM Cc1c(C#N)cccc1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000338171736 456682361 /nfs/dbraw/zinc/68/23/61/456682361.db2.gz BWXVOELRAKNPLN-UHFFFAOYSA-N -1 0 331.715 3.386 20 30 EGEDRM N#Cc1ccc2c(c1)N(C(=O)c1ccc(Br)c([O-])c1)CC2 ZINC000344991362 456889413 /nfs/dbraw/zinc/88/94/13/456889413.db2.gz LSJHKCHLRPJPSV-UHFFFAOYSA-N -1 0 343.180 3.229 20 30 EGEDRM CC[C@H](NC(=O)c1cc(C#N)c(SC)[n-]c1=O)c1ccccc1 ZINC000353795289 456909962 /nfs/dbraw/zinc/90/99/62/456909962.db2.gz CPJVXBRRNFSCHH-AWEZNQCLSA-N -1 0 327.409 3.262 20 30 EGEDRM CC(C)(C)n1cc(C#N)c(=NC(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)[n-]1 ZINC000329660166 456923301 /nfs/dbraw/zinc/92/33/01/456923301.db2.gz OJRFNILMPBZIEV-FVQBIDKESA-N -1 0 328.460 3.477 20 30 EGEDRM N#CCc1ccc(C(=O)Nc2ccc3c(ccn3CC(=O)[O-])c2)cc1 ZINC000345907899 457005394 /nfs/dbraw/zinc/00/53/94/457005394.db2.gz PYCZJNYTDCJOBX-UHFFFAOYSA-N -1 0 333.347 3.044 20 30 EGEDRM Cc1csc([C@@H](C)NC(=O)N=c2nc(C(C)(C)C)[n-]s2)n1 ZINC000330829731 457091797 /nfs/dbraw/zinc/09/17/97/457091797.db2.gz UCFWCFFWSPCONM-MRVPVSSYSA-N -1 0 325.463 3.110 20 30 EGEDRM CC[C@@H](NC(=O)N=c1nc(C(C)(C)C)[n-]s1)c1nc(C)cs1 ZINC000330841966 457092960 /nfs/dbraw/zinc/09/29/60/457092960.db2.gz YCCIKOFITYVONC-SECBINFHSA-N -1 0 339.490 3.500 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)c2ccncn2)nn1-c1cccc(Cl)c1 ZINC000354459229 457237386 /nfs/dbraw/zinc/23/73/86/457237386.db2.gz DOFJBMMWWPBGSM-AWEZNQCLSA-N -1 0 337.770 3.114 20 30 EGEDRM C=CC[C@@H](C(=O)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1)c1ccccc1 ZINC000355798517 457419692 /nfs/dbraw/zinc/41/96/92/457419692.db2.gz ZVLBMOVKEQJDHW-MRXNPFEDSA-N -1 0 334.379 3.476 20 30 EGEDRM COc1cc(SC)ccc1[N-]S(=O)(=O)c1ccccc1CC#N ZINC000355833256 457421740 /nfs/dbraw/zinc/42/17/40/457421740.db2.gz PHFUIGJBVVTFBR-UHFFFAOYSA-N -1 0 348.449 3.284 20 30 EGEDRM Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc(C#N)o3)c2)cs1 ZINC000361116492 457592343 /nfs/dbraw/zinc/59/23/43/457592343.db2.gz SUAWRWMRTGOAPI-UHFFFAOYSA-N -1 0 345.405 3.384 20 30 EGEDRM N#CC(=C([O-])c1cnnn1-c1cccc(F)c1)c1nc2ccccc2o1 ZINC000434624740 458024703 /nfs/dbraw/zinc/02/47/03/458024703.db2.gz ROPZWJNUQXUSSV-CYBMUJFWSA-N -1 0 347.309 3.038 20 30 EGEDRM C=CCCCS(=O)(=O)[N-]c1nnc(C[C@@H](C)CC(C)(C)C)o1 ZINC000427749382 458030426 /nfs/dbraw/zinc/03/04/26/458030426.db2.gz PDPUPRAYUXTMSV-GFCCVEGCSA-N -1 0 329.466 3.392 20 30 EGEDRM CC(C)(C)c1cnc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)s1 ZINC000427751634 458030690 /nfs/dbraw/zinc/03/06/90/458030690.db2.gz GQOBMRKCKPQHTH-UHFFFAOYSA-N -1 0 339.417 3.252 20 30 EGEDRM COc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2)c(F)c1 ZINC000358789353 458218517 /nfs/dbraw/zinc/21/85/17/458218517.db2.gz GYCUXRGTIVLUAC-UHFFFAOYSA-N -1 0 340.763 3.160 20 30 EGEDRM C=CCN(Cc1ccc(Cl)s1)C(=O)c1cccc(C(=O)[O-])n1 ZINC000362499642 458221748 /nfs/dbraw/zinc/22/17/48/458221748.db2.gz PXCYKTRLEWHRLD-UHFFFAOYSA-N -1 0 336.800 3.323 20 30 EGEDRM CCOc1ccc([N-]S(=O)(=O)[C@@H](C#N)CC)c(C(F)(F)F)c1 ZINC000416938928 458357143 /nfs/dbraw/zinc/35/71/43/458357143.db2.gz MBFRWIMGNUITHQ-SNVBAGLBSA-N -1 0 336.335 3.148 20 30 EGEDRM CCc1noc(C)c1[N-]S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451022537 458463325 /nfs/dbraw/zinc/46/33/25/458463325.db2.gz BPHAJXANXIAVIR-UHFFFAOYSA-N -1 0 339.804 3.066 20 30 EGEDRM C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC000424426895 458641608 /nfs/dbraw/zinc/64/16/08/458641608.db2.gz ULGQZUMHOCXCBL-KRWDZBQOSA-N -1 0 343.427 3.003 20 30 EGEDRM CCSc1n[n-]c(=NC(=O)N[C@H](CCC#N)c2ccccc2)s1 ZINC000439307162 458687687 /nfs/dbraw/zinc/68/76/87/458687687.db2.gz VKPDUJHIBZCUHM-GFCCVEGCSA-N -1 0 347.469 3.239 20 30 EGEDRM C=C(C)C[C@@H](C)C(=O)N[C@@H](C(=O)[O-])c1ccc(OC(F)F)cc1 ZINC000439932557 458766992 /nfs/dbraw/zinc/76/69/92/458766992.db2.gz XIZXPJXMFGKAIR-ZWNOBZJWSA-N -1 0 327.327 3.132 20 30 EGEDRM C=CCC[C@H](C(=O)N=c1nc([C@@H](C)OC)[n-]s1)c1ccccc1 ZINC000511118513 458777536 /nfs/dbraw/zinc/77/75/36/458777536.db2.gz CLJXQVCAPZNNIP-OCCSQVGLSA-N -1 0 331.441 3.356 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)NCc2ccc([C@H]3C[C@@H]3C)o2)cc1C#N ZINC000515965803 458814548 /nfs/dbraw/zinc/81/45/48/458814548.db2.gz QVHSOZSKVDYKAE-CABZTGNLSA-N -1 0 343.408 3.027 20 30 EGEDRM C=CCCC(=O)NCCc1c(CC)[n-]n(Cc2ccccc2C)c1=O ZINC000555294195 458905852 /nfs/dbraw/zinc/90/58/52/458905852.db2.gz ZHWRUPDKJVJFPO-QGZVFWFLSA-N -1 0 341.455 3.192 20 30 EGEDRM CCn1ncc2cc(C([O-])=C(C#N)c3nc4ccccc4o3)c(C)nc21 ZINC000442537417 459012292 /nfs/dbraw/zinc/01/22/92/459012292.db2.gz CLJSYLPRFZPNRS-CQSZACIVSA-N -1 0 345.362 3.391 20 30 EGEDRM Cc1ccc([N+](=O)[O-])c(C([O-])=C(C#N)c2nc3ccccc3n2C)c1 ZINC000442609868 459016578 /nfs/dbraw/zinc/01/65/78/459016578.db2.gz ZZCBGSAXQTZMCY-ZDUSSCGKSA-N -1 0 334.335 3.280 20 30 EGEDRM C=C(C)COCCNC(=O)c1nn(-c2cccc(C(C)C)c2)cc1[O-] ZINC000476872420 459021391 /nfs/dbraw/zinc/02/13/91/459021391.db2.gz LIJAORAILSNYNZ-UHFFFAOYSA-N -1 0 343.427 3.024 20 30 EGEDRM CC(C)n1cc(C#N)c(=NC(=O)c2ccnc(Oc3ccccc3)c2)[n-]1 ZINC000532087787 459028691 /nfs/dbraw/zinc/02/86/91/459028691.db2.gz MTIRXHMCZLBOAI-UHFFFAOYSA-N -1 0 347.378 3.197 20 30 EGEDRM C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1c(=O)[nH][n-]c1-c1ccccc1 ZINC000590398933 459123926 /nfs/dbraw/zinc/12/39/26/459123926.db2.gz CBAFLMLASAZLJO-LBPRGKRZSA-N -1 0 348.362 3.060 20 30 EGEDRM C=CCn1c(-c2cn(C)c3ccccc23)n[n-]c1=Nc1c(C)n[nH]c1C ZINC000579648181 459249546 /nfs/dbraw/zinc/24/95/46/459249546.db2.gz DVFHDWLPLYZRCX-UHFFFAOYSA-N -1 0 347.426 3.128 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2cnc(-c3cccnc3)s2)n1 ZINC000534187073 459297994 /nfs/dbraw/zinc/29/79/94/459297994.db2.gz APLMODKWRGXRJU-LLVKDONJSA-N -1 0 326.406 3.460 20 30 EGEDRM C=CCCSc1nc([O-])c(CC)c(=O)n1-c1ccc(OC)cc1 ZINC000523497629 459309705 /nfs/dbraw/zinc/30/97/05/459309705.db2.gz WOFBMHLZZYPMST-UHFFFAOYSA-N -1 0 332.425 3.177 20 30 EGEDRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N[C@H](C#N)C(C)(C)C)n2)c1 ZINC000560197644 459311202 /nfs/dbraw/zinc/31/12/02/459311202.db2.gz QWXYDBICJQWAFV-MRXNPFEDSA-N -1 0 340.427 3.369 20 30 EGEDRM CC(C)(C)n1cc(C#N)cc1NC(=O)NCc1cccc(C(=O)[O-])c1 ZINC000591353886 459360577 /nfs/dbraw/zinc/36/05/77/459360577.db2.gz QNORUEGRVFZMAR-UHFFFAOYSA-N -1 0 340.383 3.135 20 30 EGEDRM CC1(C)CCc2sc([N-]S(=O)(=O)c3cccc(CC#N)c3)nc21 ZINC000591498373 459393197 /nfs/dbraw/zinc/39/31/97/459393197.db2.gz KVHWYRZPTFXENV-UHFFFAOYSA-N -1 0 347.465 3.234 20 30 EGEDRM C=CCOc1ccc(C(=O)N[C@](CC)(C(=O)[O-])c2ccccc2)cc1 ZINC000485364900 459449558 /nfs/dbraw/zinc/44/95/58/459449558.db2.gz AHANODAWGMSJPM-FQEVSTJZSA-N -1 0 339.391 3.371 20 30 EGEDRM Cc1ccc(C2(C(=O)N=c3[n-]n(C(C)(C)C)cc3C#N)CCC2)cc1 ZINC000591852897 459454933 /nfs/dbraw/zinc/45/49/33/459454933.db2.gz QUIWTKVQQVLYJD-UHFFFAOYSA-N -1 0 336.439 3.301 20 30 EGEDRM C[C@@H](CC#N)Sc1ccccc1NC(=O)NCC1(C(=O)[O-])CC1 ZINC000596059137 459505469 /nfs/dbraw/zinc/50/54/69/459505469.db2.gz MWZZBCCFTWNPDO-NSHDSACASA-N -1 0 333.413 3.067 20 30 EGEDRM CCc1ccc([C@@H](C#N)NC(=O)c2cc(F)c(F)c([O-])c2F)cc1 ZINC000489948955 459572589 /nfs/dbraw/zinc/57/25/89/459572589.db2.gz BDQWEXHZQKOPFA-CYBMUJFWSA-N -1 0 334.297 3.367 20 30 EGEDRM C#C[C@@H](NC(=O)c1s[n-]c(=O)c1Cl)c1ccc(Cl)cc1F ZINC000491096715 459598555 /nfs/dbraw/zinc/59/85/55/459598555.db2.gz VRLJOROISFYBIL-SECBINFHSA-N -1 0 345.182 3.399 20 30 EGEDRM CC(=Cc1ccc2c(c1)OCCCCO2)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000583854028 459607182 /nfs/dbraw/zinc/60/71/82/459607182.db2.gz QHDGGFNXPHMZGM-XFXZXTDPSA-N -1 0 337.379 3.062 20 30 EGEDRM C=CCC[C@@H](NC(=O)N[C@H](C)c1c(F)cccc1Cl)C(=O)[O-] ZINC000562647395 459611408 /nfs/dbraw/zinc/61/14/08/459611408.db2.gz DKPWDBCQYOWNFP-BXKDBHETSA-N -1 0 328.771 3.259 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)N2CC(C)(C)[C@H]3CCC[C@H]32)cc1C#N ZINC000573638592 459709444 /nfs/dbraw/zinc/70/94/44/459709444.db2.gz SBTVUKQFZSGZBE-QWHCGFSZSA-N -1 0 331.441 3.031 20 30 EGEDRM C=CCC[C@H](NC(=O)/C=C/c1ccc(OC(C)C)c(OC)c1)C(=O)[O-] ZINC000493201071 459736310 /nfs/dbraw/zinc/73/63/10/459736310.db2.gz PDKDYSYWEBRSHP-GDXASINISA-N -1 0 347.411 3.031 20 30 EGEDRM C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C ZINC000544936338 459792218 /nfs/dbraw/zinc/79/22/18/459792218.db2.gz DNSCSMGLMUGZAD-UHFFFAOYSA-N -1 0 349.383 3.214 20 30 EGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000528914982 459816404 /nfs/dbraw/zinc/81/64/04/459816404.db2.gz SKNULNBGRVVFBJ-UODUUCHISA-N -1 0 338.407 3.427 20 30 EGEDRM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2OC)cc1 ZINC000545999059 459885559 /nfs/dbraw/zinc/88/55/59/459885559.db2.gz GVIVYDGMZSDFQQ-UHFFFAOYSA-N -1 0 346.408 3.156 20 30 EGEDRM C=CC[C@@H]1N(C(=O)c2ccc(OCC(=O)[O-])cc2)CCCC1(C)C ZINC000621540476 459953911 /nfs/dbraw/zinc/95/39/11/459953911.db2.gz ZTKNTERJFDKFQA-INIZCTEOSA-N -1 0 331.412 3.357 20 30 EGEDRM Cc1[n-][nH]c(=NC(=O)c2cnc(-c3ccc(C)cc3C)s2)c1C#N ZINC000588719519 459974448 /nfs/dbraw/zinc/97/44/48/459974448.db2.gz KRKQTBMOQPAUAR-UHFFFAOYSA-N -1 0 337.408 3.004 20 30 EGEDRM CC(C)(C#N)c1nc(-c2cc(F)c([O-])c(Br)c2)no1 ZINC000598684918 459993408 /nfs/dbraw/zinc/99/34/08/459993408.db2.gz WANFMEVMBANBCT-UHFFFAOYSA-N -1 0 326.125 3.145 20 30 EGEDRM Cc1ccc(Cl)c2ccc([N-]S(=O)(=O)c3ccc(C#N)o3)nc12 ZINC000588943307 460008125 /nfs/dbraw/zinc/00/81/25/460008125.db2.gz PWBOFGNSENFHRU-UHFFFAOYSA-N -1 0 347.783 3.462 20 30 EGEDRM CCOCCn1cc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)cn1 ZINC000621719848 460026764 /nfs/dbraw/zinc/02/67/64/460026764.db2.gz YJEHKTJJMPHKPH-ZDUSSCGKSA-N -1 0 346.456 3.164 20 30 EGEDRM CC(C)(C)OCc1ccc([N-]S(=O)(=O)c2cncc(C#N)c2)cc1 ZINC000589555305 460103290 /nfs/dbraw/zinc/10/32/90/460103290.db2.gz URXVQYYNBQRHGY-UHFFFAOYSA-N -1 0 345.424 3.069 20 30 EGEDRM N#CCc1cccc(S(=O)(=O)[N-]c2nc(C3CCC3)cs2)c1 ZINC000589592029 460107220 /nfs/dbraw/zinc/10/72/20/460107220.db2.gz BNLUIERVTQHCEA-UHFFFAOYSA-N -1 0 333.438 3.277 20 30 EGEDRM CCc1ccccc1-n1cc([O-])c(C(=O)NC2(C#N)CCCCC2)n1 ZINC000610638415 460201974 /nfs/dbraw/zinc/20/19/74/460201974.db2.gz FDIOZWMQCBJYES-UHFFFAOYSA-N -1 0 338.411 3.097 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cnc(-c3ccccc3)s2)cc1 ZINC000611254348 460318128 /nfs/dbraw/zinc/31/81/28/460318128.db2.gz FSTONVHKIAHLQL-UHFFFAOYSA-N -1 0 341.417 3.483 20 30 EGEDRM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2cccc(CC#N)c2)n[nH]1 ZINC000619463334 460363413 /nfs/dbraw/zinc/36/34/13/460363413.db2.gz KBNXKKRWDRLJEO-LBPRGKRZSA-N -1 0 332.429 3.180 20 30 EGEDRM COc1cc(SC)ccc1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000619464006 460364500 /nfs/dbraw/zinc/36/45/00/460364500.db2.gz YAULHRAABQJYNV-UHFFFAOYSA-N -1 0 348.449 3.284 20 30 EGEDRM Cc1[n-][nH]c(=NC(=O)C2(c3cccc(Cl)c3)CCCC2)c1C#N ZINC000601681099 460867519 /nfs/dbraw/zinc/86/75/19/460867519.db2.gz ZMKSCKYYGAULAW-UHFFFAOYSA-N -1 0 328.803 3.116 20 30 EGEDRM CC(C)(C)c1[n-]n(Cc2cccc3c2CCOC3)c(=O)c1CCC#N ZINC000601924228 460946420 /nfs/dbraw/zinc/94/64/20/460946420.db2.gz ZTTQJKODOKMYJV-UHFFFAOYSA-N -1 0 339.439 3.463 20 30 EGEDRM CC[C@](C)(CC(=O)[O-])C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000601983370 460970607 /nfs/dbraw/zinc/97/06/07/460970607.db2.gz LFUKCSCMPHHFQB-CQSZACIVSA-N -1 0 328.290 3.407 20 30 EGEDRM C[C@@](CC(=O)[O-])(C(=O)NCC1CCC(C#N)CC1)c1ccc(F)cc1 ZINC000601985525 460971476 /nfs/dbraw/zinc/97/14/76/460971476.db2.gz ZTNULLYWAKFFSQ-MHVYXZCWSA-N -1 0 346.402 3.004 20 30 EGEDRM CC(C)(C)Oc1ccc(NC(=O)[C@@H]2CCC[C@H]2C(=O)[O-])cc1C#N ZINC000601992376 460976326 /nfs/dbraw/zinc/97/63/26/460976326.db2.gz JSMUQXHHGWKLER-ZIAGYGMSSA-N -1 0 330.384 3.175 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)[C@@H](C)c1ccc(Br)s1)C(=O)[O-] ZINC000630325822 461095463 /nfs/dbraw/zinc/09/54/63/461095463.db2.gz MJEKWCDDAOUTMP-DTWKUNHWSA-N -1 0 346.246 3.150 20 30 EGEDRM C=C[C@@H](CC(=O)Nc1c(C)nn(CCC(=O)[O-])c1C)c1ccccc1 ZINC000630331812 461097697 /nfs/dbraw/zinc/09/76/97/461097697.db2.gz PFTQLPKBBXWOQI-HNNXBMFYSA-N -1 0 341.411 3.273 20 30 EGEDRM C=C(C)C[C@H](C)C(=O)N[C@@H](C(=O)[O-])c1ccccc1Br ZINC000659191105 461213173 /nfs/dbraw/zinc/21/31/73/461213173.db2.gz PLKJDAMWQXJKGF-GXFFZTMASA-N -1 0 340.217 3.293 20 30 EGEDRM C=C(C)Cn1c(CCc2ccccc2)n[n-]c1=Nc1c(C)n[nH]c1C ZINC000642710049 461557311 /nfs/dbraw/zinc/55/73/11/461557311.db2.gz HMTPJNWIHXGJAQ-UHFFFAOYSA-N -1 0 336.443 3.145 20 30 EGEDRM C=CCSc1ccccc1NC(=O)CN1CCCC[C@@H]1CC(=O)[O-] ZINC000650504657 461797565 /nfs/dbraw/zinc/79/75/65/461797565.db2.gz WYJAYROWKGXPDI-CQSZACIVSA-N -1 0 348.468 3.232 20 30 EGEDRM CCn1c2cc(C([O-])=C(C#N)c3nc(C)cs3)ccc2[nH]c1=O ZINC000654968588 462433117 /nfs/dbraw/zinc/43/31/17/462433117.db2.gz CWXNYQUDJWNLTP-NSHDSACASA-N -1 0 326.381 3.017 20 30 EGEDRM C=CCC1(CNC(=O)N=c2[n-]nc([C@@H]3CCCO3)s2)CCCC1 ZINC000640729618 462506284 /nfs/dbraw/zinc/50/62/84/462506284.db2.gz XBEVMBJQQZUJKE-LBPRGKRZSA-N -1 0 336.461 3.070 20 30 EGEDRM O=C(c1ccc(F)cc1[O-])N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000676761632 549144675 /nfs/dbraw/zinc/14/46/75/549144675.db2.gz MLTDVRKLQBRIPT-RKDXNWHRSA-N -1 0 345.214 3.344 20 30 EGEDRM C=C[C@@H](CC(=O)N[C@H](C(=O)[O-])c1ccccc1F)c1ccccc1 ZINC000683319662 550217550 /nfs/dbraw/zinc/21/75/50/550217550.db2.gz RHKFABQOIWMMCV-UGSOOPFHSA-N -1 0 327.355 3.428 20 30 EGEDRM COc1ccc([C@@H](CC(=O)[O-])/N=C/c2cc(OC)ccc2O)cc1 ZINC000737950729 574520054 /nfs/dbraw/zinc/52/00/54/574520054.db2.gz SQMOLILHNVRLGV-YDDPGSGASA-N -1 0 329.352 3.044 20 30 EGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)c1cn2ccccc2n1 ZINC000729066754 574810253 /nfs/dbraw/zinc/81/02/53/574810253.db2.gz BYKQZHQVPDAUMA-CQSZACIVSA-N -1 0 342.358 3.329 20 30 EGEDRM Cn1c(Cl)nc(Cl)c1/C=C/C(=O)c1csc(C(=O)[O-])c1 ZINC000730149337 574925927 /nfs/dbraw/zinc/92/59/27/574925927.db2.gz VRGWXPKDBLXWRT-NSCUHMNNSA-N -1 0 331.180 3.383 20 30 EGEDRM Cc1ccc(NC(=O)CSc2ccc(C#N)cc2)c(C(=O)[O-])c1 ZINC000738625019 574980739 /nfs/dbraw/zinc/98/07/39/574980739.db2.gz BYBHYNVEDZNJAA-UHFFFAOYSA-N -1 0 326.377 3.296 20 30 EGEDRM O=C([O-])COc1cccc(C=NNc2ccc(OC(F)F)cc2)c1 ZINC000733203790 575319708 /nfs/dbraw/zinc/31/97/08/575319708.db2.gz ACQKIQVCOUAQKW-UHFFFAOYSA-N -1 0 336.294 3.197 20 30 EGEDRM CC(=O)Nc1cccc(C(=O)/C=C\c2cccc(OCC(=O)[O-])c2)c1 ZINC000733205306 575319943 /nfs/dbraw/zinc/31/99/43/575319943.db2.gz RBHIHQQJTHINMQ-HJWRWDBZSA-N -1 0 339.347 3.005 20 30 EGEDRM C[C@H](Oc1cccc(C=NNc2cc(F)c(F)cc2F)c1)C(=O)[O-] ZINC000734302877 575463992 /nfs/dbraw/zinc/46/39/92/575463992.db2.gz SYOWODAPMWPZDJ-VIFPVBQESA-N -1 0 338.285 3.402 20 30 EGEDRM C#CCOc1ccc(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)cc1 ZINC000736088719 575898088 /nfs/dbraw/zinc/89/80/88/575898088.db2.gz CGVSMUQMXWDUPP-UHFFFAOYSA-N -1 0 337.375 3.313 20 30 EGEDRM C#CCOc1cccc([C@@H](C)OC(=O)c2ccc(C(=O)[O-])s2)c1 ZINC000736089078 575898112 /nfs/dbraw/zinc/89/81/12/575898112.db2.gz GGLQUHWJSJEGNG-LLVKDONJSA-N -1 0 330.361 3.376 20 30 EGEDRM C#Cc1cccc(N(CC)Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)c1 ZINC000736091470 575898378 /nfs/dbraw/zinc/89/83/78/575898378.db2.gz VEWLALYXQWUVAR-UHFFFAOYSA-N -1 0 347.374 3.041 20 30 EGEDRM C=C(C)CN(CC)C(=O)[C@@H](C)Sc1nc2ccc(C(=O)[O-])cc2o1 ZINC000736095041 575898747 /nfs/dbraw/zinc/89/87/47/575898747.db2.gz GGMPADRGILLFKT-LLVKDONJSA-N -1 0 348.424 3.431 20 30 EGEDRM C[C@@H](NC(=O)Nc1ccc(CCC(=O)[O-])cc1)c1ccc(C#N)cc1 ZINC000736649932 575996447 /nfs/dbraw/zinc/99/64/47/575996447.db2.gz XSHKUOZEKSRTOA-CYBMUJFWSA-N -1 0 337.379 3.458 20 30 EGEDRM C[C@](NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1)(C(=O)[O-])C1CC1 ZINC000736659751 576000713 /nfs/dbraw/zinc/00/07/13/576000713.db2.gz WQMFXSYUYURECG-HXUWFJFHSA-N -1 0 349.390 3.285 20 30 EGEDRM C[C@@H]1CN([C@H](C(=O)[O-])c2ccc(C#N)cc2)C[C@H](c2ccccc2)O1 ZINC000736806026 576036007 /nfs/dbraw/zinc/03/60/07/576036007.db2.gz GUCTZRLHTSXCDN-ZMYBRWDISA-N -1 0 336.391 3.146 20 30 EGEDRM CC[C@@H](Cc1ccccc1)C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736904323 576058443 /nfs/dbraw/zinc/05/84/43/576058443.db2.gz SBFGAHCOYGADNB-FUHWJXTLSA-N -1 0 337.375 3.496 20 30 EGEDRM CCOc1ccc(/C=N/[C@H](CC(=O)[O-])c2ccc(OC)cc2)c(O)c1 ZINC000737200420 576134833 /nfs/dbraw/zinc/13/48/33/576134833.db2.gz RZFMKIYOMKENAF-XNHPLOEXSA-N -1 0 343.379 3.434 20 30 EGEDRM CCOc1ccc(C[C@@H](CNc2cccc(F)c2C#N)C(=O)[O-])cc1 ZINC000737204937 576135968 /nfs/dbraw/zinc/13/59/68/576135968.db2.gz FEZJTEJFYFMBFT-AWEZNQCLSA-N -1 0 342.370 3.451 20 30 EGEDRM CCc1[nH]c(C(=O)N[C@@](C)(C#N)C2CCCCC2)c(C)c1C(=O)[O-] ZINC000737242652 576147005 /nfs/dbraw/zinc/14/70/05/576147005.db2.gz VJILMHRACLJECI-SFHVURJKSA-N -1 0 331.416 3.176 20 30 EGEDRM CN(Cc1ccn(-c2ccccc2)n1)[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737494396 576237805 /nfs/dbraw/zinc/23/78/05/576237805.db2.gz NZDWQSFZIOMLLL-LJQANCHMSA-N -1 0 346.390 3.002 20 30 EGEDRM COCCOc1cccc(F)c1C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC000737821593 576265386 /nfs/dbraw/zinc/26/53/86/576265386.db2.gz PJPGAIZBVMUMBR-FNORWQNLSA-N -1 0 334.299 3.038 20 30 EGEDRM COc1cc(C#N)ccc1OCCOc1cc(Cl)ccc1C(=O)[O-] ZINC000737844676 576266939 /nfs/dbraw/zinc/26/69/39/576266939.db2.gz QJLSJCZYISVARA-UHFFFAOYSA-N -1 0 347.754 3.376 20 30 EGEDRM Cc1cccc(N(CCC#N)C(=O)CS[C@@H](C)CC(=O)[O-])c1C ZINC000738309790 576312908 /nfs/dbraw/zinc/31/29/08/576312908.db2.gz AHPGFTQENWAEBY-ZDUSSCGKSA-N -1 0 334.441 3.147 20 30 EGEDRM N#Cc1c(Cl)cccc1Oc1cccc(C(=O)OCC(=O)[O-])c1 ZINC000738425819 576324361 /nfs/dbraw/zinc/32/43/61/576324361.db2.gz PHLNRSFDIQIQSV-UHFFFAOYSA-N -1 0 331.711 3.245 20 30 EGEDRM N#CCCN(C(=O)c1ccc(NC(=O)[O-])cc1)c1ccc(F)cc1 ZINC000738428915 576324953 /nfs/dbraw/zinc/32/49/53/576324953.db2.gz YBQYGYUQAOSMMD-UHFFFAOYSA-N -1 0 327.315 3.476 20 30 EGEDRM Cc1csc(=Nc2ccccc2C#N)n1[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738814039 576362697 /nfs/dbraw/zinc/36/26/97/576362697.db2.gz LPHZRCWKDFRMHO-CQSZACIVSA-N -1 0 342.424 3.277 20 30 EGEDRM Cc1csc([C@@H]2CCCN2[C@H](C(=O)[O-])c2ccc(C#N)cc2)n1 ZINC000738817339 576363033 /nfs/dbraw/zinc/36/30/33/576363033.db2.gz YORBJNFSGCBZEM-GJZGRUSLSA-N -1 0 327.409 3.286 20 30 EGEDRM Cc1nn(CCC(=O)[O-])c(C)c1C=NNc1cccc(Cl)c1C ZINC000738922727 576369383 /nfs/dbraw/zinc/36/93/83/576369383.db2.gz KZQKVSGLZJIAGF-UHFFFAOYSA-N -1 0 334.807 3.382 20 30 EGEDRM N#Cc1cc([N+](=O)[O-])ccc1Nc1ccc(OCCCC(=O)[O-])cc1 ZINC000739099540 576377832 /nfs/dbraw/zinc/37/78/32/576377832.db2.gz YEXCZOQCBZFCCQ-UHFFFAOYSA-N -1 0 341.323 3.454 20 30 EGEDRM N#Cc1ccc(C(=O)OCc2c3ccccc3sc2C(=O)[O-])nc1 ZINC000739104392 576378022 /nfs/dbraw/zinc/37/80/22/576378022.db2.gz FTAOBDILYXDVJD-UHFFFAOYSA-N -1 0 338.344 3.223 20 30 EGEDRM N#Cc1ccc([C@@H](OC(=O)c2ccc(-c3cnco3)cc2)C(=O)[O-])cc1 ZINC000739114379 576378661 /nfs/dbraw/zinc/37/86/61/576378661.db2.gz GQDDCHOUCMAYSC-QGZVFWFLSA-N -1 0 348.314 3.196 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)c2ccc3cc(O)ccc3c2)C(=O)[O-])cc1 ZINC000739114676 576378749 /nfs/dbraw/zinc/37/87/49/576378749.db2.gz KBWFBXDLSQZWAY-SFHVURJKSA-N -1 0 347.326 3.400 20 30 EGEDRM N#Cc1ccc([C@@H](OC(=O)c2ccc(Cl)cc2F)C(=O)[O-])cc1 ZINC000739116141 576378867 /nfs/dbraw/zinc/37/88/67/576378867.db2.gz ZXQXPTDTOOPSFB-CQSZACIVSA-N -1 0 333.702 3.333 20 30 EGEDRM N#Cc1ccccc1/C=C/C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000739140639 576379532 /nfs/dbraw/zinc/37/95/32/576379532.db2.gz WKFLZWKENHJMIW-KSEUIEODSA-N -1 0 334.375 3.294 20 30 EGEDRM Cc1ccc([N+](=O)[O-])cc1C(=O)/C=C\c1ccc([N+](=O)[O-])c([O-])c1 ZINC000739425403 576410674 /nfs/dbraw/zinc/41/06/74/576410674.db2.gz PMOHIPGEFHHBEB-DAXSKMNVSA-N -1 0 328.280 3.413 20 30 EGEDRM N#Cc1ccc2c(c1)CC/C(=C\c1ccc(OCC(=O)[O-])cc1)C2=O ZINC000742438124 576784321 /nfs/dbraw/zinc/78/43/21/576784321.db2.gz SQXPQRGINONCSZ-CXUHLZMHSA-N -1 0 333.343 3.234 20 30 EGEDRM COc1cc(/C=C\C(=O)c2cccc(O[C@@H](C)C(=O)[O-])c2)ccc1O ZINC000745021943 576838670 /nfs/dbraw/zinc/83/86/70/576838670.db2.gz VLKTXQPBYAOOER-VFFGBVLKSA-N -1 0 342.347 3.149 20 30 EGEDRM COc1ccccc1/C=C\C(=O)c1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000745020862 576838694 /nfs/dbraw/zinc/83/86/94/576838694.db2.gz ISDNSBCOIFCCGG-OEYXZAGESA-N -1 0 326.348 3.443 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000819865127 598222031 /nfs/dbraw/zinc/22/20/31/598222031.db2.gz HWEYXBUKPNEJJK-OAHLLOKOSA-N -1 0 349.799 3.407 20 30 EGEDRM C[C@@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])c1cc(F)c(Cl)cc1Cl ZINC000820113511 598222410 /nfs/dbraw/zinc/22/24/10/598222410.db2.gz AVZBQXUIMCSRHU-UOWDBTKRSA-N -1 0 347.173 3.314 20 30 EGEDRM CCc1ccc(-c2csc(NC(=O)[C@](C)(C#N)CC(=O)[O-])n2)s1 ZINC000820480068 598222728 /nfs/dbraw/zinc/22/27/28/598222728.db2.gz QUHGFKNBXMEKNX-HNNXBMFYSA-N -1 0 349.437 3.377 20 30 EGEDRM C=CCOc1ccc(C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)cc1 ZINC000327182268 600862799 /nfs/dbraw/zinc/86/27/99/600862799.db2.gz WDOBVPGXEVTLIY-HNNXBMFYSA-N -1 0 337.375 3.470 20 30 EGEDRM C=CCOCCCC(=O)Nc1nc(-c2ccc(C(=O)[O-])cc2)cs1 ZINC000825699256 600963874 /nfs/dbraw/zinc/96/38/74/600963874.db2.gz VEEOKJVICXUVOB-UHFFFAOYSA-N -1 0 346.408 3.430 20 30 EGEDRM C#CCOc1cccc([C@H](C)OC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000825631255 601238888 /nfs/dbraw/zinc/23/88/88/601238888.db2.gz AAHTWFQKJJFYKF-IMJJTQAJSA-N -1 0 330.380 3.194 20 30 EGEDRM N#Cc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2cccc(Cl)c2)s1 ZINC000833071289 601288029 /nfs/dbraw/zinc/28/80/29/601288029.db2.gz ZNBXXZDQRDEYKD-LBPRGKRZSA-N -1 0 334.784 3.219 20 30 EGEDRM N#Cc1cccc([C@@H](NCc2coc(-c3ccccc3)n2)C(=O)[O-])c1 ZINC000833076255 601306499 /nfs/dbraw/zinc/30/64/99/601306499.db2.gz STKINZOPTOWKHD-QGZVFWFLSA-N -1 0 333.347 3.129 20 30 EGEDRM Cc1ccc(C#N)cc1NC(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000832910441 601310691 /nfs/dbraw/zinc/31/06/91/601310691.db2.gz KCZDMYPMCNRFMQ-INIZCTEOSA-N -1 0 341.342 3.343 20 30 EGEDRM Cc1ccc(C#N)cc1NC(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000832910442 601310724 /nfs/dbraw/zinc/31/07/24/601310724.db2.gz KCZDMYPMCNRFMQ-MRXNPFEDSA-N -1 0 341.342 3.343 20 30 EGEDRM COc1cc(OC)c(C(=O)/C=C/c2ccc(C(=O)[O-])[nH]2)cc1Cl ZINC000832030503 601330765 /nfs/dbraw/zinc/33/07/65/601330765.db2.gz UFIJKLWZEYRAJD-GQCTYLIASA-N -1 0 335.743 3.280 20 30 EGEDRM CCCOc1ccc2c(c1)C(=O)/C(=C/c1ccc(C(=O)[O-])[nH]1)CO2 ZINC000829538102 601331296 /nfs/dbraw/zinc/33/12/96/601331296.db2.gz ZPJFHUQVSYRIQM-DHZHZOJOSA-N -1 0 327.336 3.160 20 30 EGEDRM O=C([O-])c1ccc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])[nH]1 ZINC000749806870 601335745 /nfs/dbraw/zinc/33/57/45/601335745.db2.gz HSWOBOIMLMFKAV-UHFFFAOYSA-N -1 0 342.233 3.086 20 30 EGEDRM Cc1cccc(O[C@@H](C)C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000832972491 601347004 /nfs/dbraw/zinc/34/70/04/601347004.db2.gz CHMILMMNIPJEIM-GUYCJALGSA-N -1 0 339.347 3.003 20 30 EGEDRM N#Cc1cccc([C@@H](OC(=O)c2c[nH]c3cc(F)ccc32)C(=O)[O-])c1 ZINC000833077629 601350589 /nfs/dbraw/zinc/35/05/89/601350589.db2.gz XUNHLZFTQYMTMR-MRXNPFEDSA-N -1 0 338.294 3.161 20 30 EGEDRM Cc1cc(C#N)ccc1Oc1ccc(C(=O)NC[C@@H](C)C(=O)[O-])cc1 ZINC000832859556 601668386 /nfs/dbraw/zinc/66/83/86/601668386.db2.gz SUSHGTSDUKSKHK-CYBMUJFWSA-N -1 0 338.363 3.110 20 30 EGEDRM C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCC(C)(C)C(=O)[O-] ZINC000236704370 601707868 /nfs/dbraw/zinc/70/78/68/601707868.db2.gz HFHPPXDWMUFCQE-UHFFFAOYSA-N -1 0 345.317 3.111 20 30 EGEDRM C[C@@H]1CN(C(=O)Nc2ccccc2C#Cc2ccccc2)C[C@H]1C(=O)[O-] ZINC000828378145 601796160 /nfs/dbraw/zinc/79/61/60/601796160.db2.gz OSTWEJWLKHSWTM-CRAIPNDOSA-N -1 0 348.402 3.271 20 30 EGEDRM CCCC(C#N)(CCC)NC(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC000829183838 601881005 /nfs/dbraw/zinc/88/10/05/601881005.db2.gz CHWRDZSOWFVHMG-UHFFFAOYSA-N -1 0 341.411 3.318 20 30 EGEDRM C=CCOc1ccc(C(=O)OCc2ccc(C(=O)[O-])s2)cc1OC ZINC000825699015 602000669 /nfs/dbraw/zinc/00/06/69/602000669.db2.gz PZGISAVBCFWLQY-UHFFFAOYSA-N -1 0 348.376 3.377 20 30 EGEDRM N#CCc1ccc(NC(=O)N[C@@H]2CCCCCC[C@H]2C(=O)[O-])cc1 ZINC000833069213 602028920 /nfs/dbraw/zinc/02/89/20/602028920.db2.gz PSIQQQKDZURYOU-HZPDHXFCSA-N -1 0 329.400 3.298 20 30 EGEDRM C=CCn1c(S[C@@H](CCCC)C(=O)[O-])nnc1-c1ccccn1 ZINC000825711048 602242825 /nfs/dbraw/zinc/24/28/25/602242825.db2.gz MPWMDJAWZDHDJS-ZDUSSCGKSA-N -1 0 332.429 3.262 20 30 EGEDRM C[C@@H](OC1CCCCCC1)C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000827873843 602264797 /nfs/dbraw/zinc/26/47/97/602264797.db2.gz QXNDIXWIOLCVQU-CXAGYDPISA-N -1 0 345.395 3.355 20 30 EGEDRM C[C@H](NC(=O)Nc1ccc(C(=O)[O-])c(F)c1)c1ccc(C#N)cc1 ZINC000827671870 602381488 /nfs/dbraw/zinc/38/14/88/602381488.db2.gz MOTXCQXRHNWWAB-JTQLQIEISA-N -1 0 327.315 3.278 20 30 EGEDRM CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000826636907 604318830 /nfs/dbraw/zinc/31/88/30/604318830.db2.gz UEPHUDHCHLOVNT-UHFFFAOYSA-N -1 0 342.326 3.192 20 30 EGEDRM CC(C)(C(=O)[O-])[C@@H](NC(=O)Cc1cccc(C#N)c1)c1ccccc1 ZINC000826089186 604374971 /nfs/dbraw/zinc/37/49/71/604374971.db2.gz JTDRBCNOQOMJTP-SFHVURJKSA-N -1 0 336.391 3.069 20 30 EGEDRM CC(C)Cc1noc(CSCc2cccc(C(=O)[O-])c2C#N)n1 ZINC000833493173 604538070 /nfs/dbraw/zinc/53/80/70/604538070.db2.gz GMAZAOXCNJVQSA-UHFFFAOYSA-N -1 0 331.397 3.271 20 30 EGEDRM N#CCOc1cc(F)ccc1NC(=O)c1ccc(NC(=O)[O-])cc1 ZINC000831102754 604562201 /nfs/dbraw/zinc/56/22/01/604562201.db2.gz TYJNXXSZZRXNPA-UHFFFAOYSA-N -1 0 329.287 3.070 20 30 EGEDRM C[C@]1(c2ccccc2)CN(Cc2cccc(C(=O)[O-])c2C#N)CCO1 ZINC000833578640 604613611 /nfs/dbraw/zinc/61/36/11/604613611.db2.gz QUXFPYQOKUOIFC-HXUWFJFHSA-N -1 0 336.391 3.004 20 30 EGEDRM Cn1cc(/C=C\C(=O)c2ccc(C(=O)[O-])cc2)c(-c2ccncc2)n1 ZINC000833044378 604628038 /nfs/dbraw/zinc/62/80/38/604628038.db2.gz XKWXWCQORTVNPR-SREVYHEPSA-N -1 0 333.347 3.076 20 30 EGEDRM Cn1c(Cl)nc(Cl)c1/C=C\C(=O)c1ccc(C(=O)[O-])cc1 ZINC000833040250 604630458 /nfs/dbraw/zinc/63/04/58/604630458.db2.gz XITZDAZGLHEXBL-SREVYHEPSA-N -1 0 325.151 3.321 20 30 EGEDRM Cc1ccc(C(=O)[O-])cc1NC(=O)CNc1ccc(C#N)cc1Cl ZINC000832915621 604643380 /nfs/dbraw/zinc/64/33/80/604643380.db2.gz FFIOXUUDOMKIPL-UHFFFAOYSA-N -1 0 343.770 3.269 20 30 EGEDRM COC(=O)c1ccc(NCC#Cc2cccc(Cl)c2)cc1C(=O)[O-] ZINC000831430636 604798743 /nfs/dbraw/zinc/79/87/43/604798743.db2.gz HFBYCDKMYCMVOC-UHFFFAOYSA-N -1 0 343.766 3.288 20 30 EGEDRM COc1cc(C(=O)[O-])cc(NCC#Cc2ccc(F)cc2)c1OC ZINC000831914064 604815843 /nfs/dbraw/zinc/81/58/43/604815843.db2.gz ZGIXQEFPPNZUOW-UHFFFAOYSA-N -1 0 329.327 3.005 20 30 EGEDRM CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000824034946 604836670 /nfs/dbraw/zinc/83/66/70/604836670.db2.gz LJGXFFCRHNPXEV-UHFFFAOYSA-N -1 0 339.351 3.444 20 30 EGEDRM C=CCn1c(S[C@H](C(=O)[O-])C2CC2)nnc1-c1cccc(C)c1 ZINC000833380502 605069497 /nfs/dbraw/zinc/06/94/97/605069497.db2.gz IBDWUFHSVUGDDU-AWEZNQCLSA-N -1 0 329.425 3.395 20 30 EGEDRM CC(=NNc1ccccc1C(=O)[O-])c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000759197908 605098153 /nfs/dbraw/zinc/09/81/53/605098153.db2.gz XRFJINXVWAXOSB-UHFFFAOYSA-N -1 0 337.379 3.451 20 30 EGEDRM CC(C)(C(=O)[O-])[C@@H](NC(=O)N1CCC(CC#N)CC1)c1ccccc1 ZINC000833415097 605118591 /nfs/dbraw/zinc/11/85/91/605118591.db2.gz UXSHSUSZNTVAHV-INIZCTEOSA-N -1 0 343.427 3.174 20 30 EGEDRM C=CCOc1ccc(C(=O)N(Cc2ccccc2)[C@@H](C)C(=O)[O-])cc1 ZINC000833378150 605200444 /nfs/dbraw/zinc/20/04/44/605200444.db2.gz YVSSFWPLGVQMLC-HNNXBMFYSA-N -1 0 339.391 3.367 20 30 EGEDRM C=CCN(CCc1ccco1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000833374693 605479521 /nfs/dbraw/zinc/47/95/21/605479521.db2.gz YCHGPZIRHLWIMB-UHFFFAOYSA-N -1 0 332.331 3.380 20 30 EGEDRM COc1ccc(O)cc1C(=O)/C=C/c1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000794709936 605575212 /nfs/dbraw/zinc/57/52/12/605575212.db2.gz DQLUZHKJVIFFEM-LHXVZLOVSA-N -1 0 342.347 3.149 20 30 EGEDRM C[C@H]1C[C@H](NN=Cc2ccc(-c3ccccc3C(=O)[O-])o2)CCO1 ZINC000833597025 605581670 /nfs/dbraw/zinc/58/16/70/605581670.db2.gz IQOWYCBKRMRMNV-QWHCGFSZSA-N -1 0 328.368 3.136 20 30 EGEDRM CC(=NNc1cccc(C(=O)[O-])c1)c1ncc(Br)s1 ZINC000756871789 605593804 /nfs/dbraw/zinc/59/38/04/605593804.db2.gz CFPOBZBAFYDIKF-UHFFFAOYSA-N -1 0 340.202 3.440 20 30 EGEDRM COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)ccc1OCC(=O)[O-] ZINC000007712501 1291086305 /nfs/dbraw/zinc/08/63/05/1291086305.db2.gz REOKMQUWBYFBDV-QHHAFSJGSA-N -1 0 348.301 3.333 20 30 EGEDRM COc1ccc(/C=C/C(=O)c2cccc(OCC(=O)[O-])c2)c(OC)c1 ZINC000008322888 1291102380 /nfs/dbraw/zinc/10/23/80/1291102380.db2.gz OVNMSCVQDPGXRV-VQHVLOKHSA-N -1 0 342.347 3.063 20 30 EGEDRM COc1cccc(/C=C/C(=O)c2ccc(OC)c(CC(=O)[O-])c2)c1 ZINC000013066831 1291135271 /nfs/dbraw/zinc/13/52/71/1291135271.db2.gz KQGBOAWGIRUEOB-SOFGYWHQSA-N -1 0 326.348 3.227 20 30 EGEDRM O=C1CCCN1c1ccc(C/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000026431888 1291273196 /nfs/dbraw/zinc/27/31/96/1291273196.db2.gz NRINAUDBQXORFD-XDHOZWIPSA-N -1 0 339.351 3.046 20 30 EGEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N/CCc2ccc3c(c2)OCO3)c1[O-] ZINC000026682517 1291278413 /nfs/dbraw/zinc/27/84/13/1291278413.db2.gz YMFKHZJTMHJMAJ-QGMBQPNBSA-N -1 0 348.742 3.344 20 30 EGEDRM CSCc1ccc(C(=O)[N-]S(=O)(=O)c2cccs2)cc1 ZINC000042244820 1291438272 /nfs/dbraw/zinc/43/82/72/1291438272.db2.gz CEXHDASAJBWWER-UHFFFAOYSA-N -1 0 327.452 3.305 20 30 EGEDRM N#Cc1ccc(CCC(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000048410012 1291603510 /nfs/dbraw/zinc/60/35/10/1291603510.db2.gz WZWPCQWEVRGYJG-UHFFFAOYSA-N -1 0 348.811 3.490 20 30 EGEDRM Cc1cc(C(=O)[N-]S(=O)(=O)c2cc(C)ccc2C)nn1C(C)(C)C ZINC000048472485 1291607202 /nfs/dbraw/zinc/60/72/02/1291607202.db2.gz KAAHNGNNLROACM-UHFFFAOYSA-N -1 0 349.456 3.257 20 30 EGEDRM CS[C@H](C)C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000048519280 1291608767 /nfs/dbraw/zinc/60/87/67/1291608767.db2.gz HADXQLMSXWPYHP-ZCFIWIBFSA-N -1 0 328.242 3.390 20 30 EGEDRM Cc1cccc(C(=O)[N-]S(=O)(=O)C=Cc2ccccc2)c1[N+](=O)[O-] ZINC000048529806 1291609714 /nfs/dbraw/zinc/60/97/14/1291609714.db2.gz UVSHVBCKPJBDEA-KHPPLWFESA-N -1 0 346.364 3.209 20 30 EGEDRM C=CCOc1ccc(C(=O)[N-]S(=O)(=O)Cc2ccc(F)cc2)cc1 ZINC000048569028 1291611223 /nfs/dbraw/zinc/61/12/23/1291611223.db2.gz PYKUXFIWRMPDNW-UHFFFAOYSA-N -1 0 349.383 3.225 20 30 EGEDRM CCCc1ccc(S(=O)(=O)[N-]C(=O)c2ccccc2COC)cc1 ZINC000048563341 1291611605 /nfs/dbraw/zinc/61/16/05/1291611605.db2.gz HOQBHEHCNVABDK-UHFFFAOYSA-N -1 0 347.436 3.479 20 30 EGEDRM O=C(Cc1ccc(F)cc1)[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000048612188 1291613925 /nfs/dbraw/zinc/61/39/25/1291613925.db2.gz YNFPSHJGXMHXFE-UHFFFAOYSA-N -1 0 333.384 3.202 20 30 EGEDRM Cc1cc(C(=O)[N-]S(=O)(=O)Cc2ccc(Cl)nc2)c(C)s1 ZINC000058150668 1291880612 /nfs/dbraw/zinc/88/06/12/1291880612.db2.gz OKVSYCQDWRBEHB-UHFFFAOYSA-N -1 0 344.845 3.248 20 30 EGEDRM C[C@@H](Oc1ccc(F)c(F)c1)C(=O)[N-]S(=O)(=O)c1cccs1 ZINC000062674062 1291996998 /nfs/dbraw/zinc/99/69/98/1291996998.db2.gz RRDYVXAPXZLRRQ-MRVPVSSYSA-N -1 0 347.364 3.139 20 30 EGEDRM CCCc1ccc(S(=O)(=O)[N-]C(=O)c2cnc(CC)s2)cc1 ZINC000065042053 1292071359 /nfs/dbraw/zinc/07/13/59/1292071359.db2.gz PPSKZOZOIZOTKY-UHFFFAOYSA-N -1 0 338.454 3.352 20 30 EGEDRM CCCc1ccc(S(=O)(=O)[N-]C(=O)CCc2nccs2)cc1 ZINC000066003272 1292103901 /nfs/dbraw/zinc/10/39/01/1292103901.db2.gz ASZBSQOPLUCLHY-UHFFFAOYSA-N -1 0 338.454 3.374 20 30 EGEDRM CSC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000067001231 1292138851 /nfs/dbraw/zinc/13/88/51/1292138851.db2.gz IYJLKAJYFLGJFZ-LLVKDONJSA-N -1 0 327.471 3.210 20 30 EGEDRM O=C(CC1CCCC1)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000069523655 1292244799 /nfs/dbraw/zinc/24/47/99/1292244799.db2.gz XPGNKHWLIGMFRV-UHFFFAOYSA-N -1 0 346.792 3.474 20 30 EGEDRM O=C([N-]S(=O)(=O)c1ccccc1Cl)[C@H]1COc2ccccc21 ZINC000073087348 1292305375 /nfs/dbraw/zinc/30/53/75/1292305375.db2.gz RDMJNVBCFMBMFQ-NSHDSACASA-N -1 0 337.784 3.161 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]C(=O)CC2CCC2)cc([N+](=O)[O-])c1C ZINC000076759213 1292441491 /nfs/dbraw/zinc/44/14/91/1292441491.db2.gz PXPFENRMRFGAIU-UHFFFAOYSA-N -1 0 326.374 3.047 20 30 EGEDRM N#Cc1cccc(S(=O)(=O)[N-]c2nc(-c3ccco3)cs2)c1 ZINC000079270650 1292551973 /nfs/dbraw/zinc/55/19/73/1292551973.db2.gz RKAZMXICAVPCSI-UHFFFAOYSA-N -1 0 331.378 3.076 20 30 EGEDRM COc1csc(C(=O)[N-]S(=O)(=O)c2ccccc2Cl)c1 ZINC000080252303 1292592342 /nfs/dbraw/zinc/59/23/42/1292592342.db2.gz IIUARRHYNJDVKS-UHFFFAOYSA-N -1 0 331.802 3.104 20 30 EGEDRM COc1ccc(CC(=O)[N-]S(=O)(=O)c2ccc(C)cc2F)cc1 ZINC000080667895 1292613789 /nfs/dbraw/zinc/61/37/89/1292613789.db2.gz XGDMDTZMGYHNHM-UHFFFAOYSA-N -1 0 337.372 3.031 20 30 EGEDRM O=C([N-]S(=O)(=O)Cc1ccccc1Cl)c1ccc(F)c(F)c1 ZINC000083791421 1292690000 /nfs/dbraw/zinc/69/00/00/1292690000.db2.gz WFMLGGRRVKFVJI-UHFFFAOYSA-N -1 0 345.754 3.453 20 30 EGEDRM O=C([N-]S(=O)(=O)C1CCCC1)c1ccc(OC(F)(F)F)cc1 ZINC000086055188 1292727892 /nfs/dbraw/zinc/72/78/92/1292727892.db2.gz VHKPQHJTRDZLCH-UHFFFAOYSA-N -1 0 337.319 3.162 20 30 EGEDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)Cc1ccc(F)c(F)c1 ZINC000088799621 1292756151 /nfs/dbraw/zinc/75/61/51/1292756151.db2.gz PUFJMSXXTKRQSF-UHFFFAOYSA-N -1 0 325.336 3.161 20 30 EGEDRM CC(C)C[C@@H](C)OCCC(=O)[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000088799703 1292756744 /nfs/dbraw/zinc/75/67/44/1292756744.db2.gz NVUDJBCLGJHHBE-GFCCVEGCSA-N -1 0 331.409 3.312 20 30 EGEDRM O=C([N-]S(=O)(=O)C[C@H]1CCCCO1)c1cccc(-c2ccoc2)c1 ZINC000089968259 1292782588 /nfs/dbraw/zinc/78/25/88/1292782588.db2.gz CHBATTWPZJGVTD-MRXNPFEDSA-N -1 0 349.408 3.150 20 30 EGEDRM CC=C(C)C(=O)[N-]S(=O)(=O)c1cc(C)c(Br)s1 ZINC000089981927 1292783711 /nfs/dbraw/zinc/78/37/11/1292783711.db2.gz SXBLBMYOMXVQDA-XQRVVYSFSA-N -1 0 338.248 3.430 20 30 EGEDRM CC(C)Oc1ccc(S(=O)(=O)[N-]C(=O)Cc2ccsc2)cc1 ZINC000091127400 1292821844 /nfs/dbraw/zinc/82/18/44/1292821844.db2.gz DVPBTABNYOXTMH-UHFFFAOYSA-N -1 0 339.438 3.423 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2cncc(OC(C)C)c2)cc1C ZINC000093242106 1292911759 /nfs/dbraw/zinc/91/17/59/1292911759.db2.gz PVTQJTVWAIWSEX-UHFFFAOYSA-N -1 0 348.424 3.179 20 30 EGEDRM CNC(=O)C(C#N)=C([O-])c1cc(C)c(-c2cccc(Cl)c2)s1 ZINC000102596074 1292979047 /nfs/dbraw/zinc/97/90/47/1292979047.db2.gz WOVBNMAWRMFHAA-GFCCVEGCSA-N -1 0 332.812 3.445 20 30 EGEDRM CCCCCCCC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000115925147 1293197708 /nfs/dbraw/zinc/19/77/08/1293197708.db2.gz PIOXFENNFSDQQW-UHFFFAOYSA-N -1 0 342.417 3.069 20 30 EGEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1ccc(Cl)c(Cl)c1 ZINC000119688000 1293283491 /nfs/dbraw/zinc/28/34/91/1293283491.db2.gz FLSIYOUYDACVCC-LLVKDONJSA-N -1 0 325.195 3.375 20 30 EGEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1cnc(-c2ccccc2)s1 ZINC000119900301 1293293119 /nfs/dbraw/zinc/29/31/19/1293293119.db2.gz FJMJDWFWOWKLRJ-CQSZACIVSA-N -1 0 339.420 3.191 20 30 EGEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1cc(F)cc(C(F)(F)F)c1 ZINC000120156100 1293308444 /nfs/dbraw/zinc/30/84/44/1293308444.db2.gz ONZOJMWJLPKMAQ-CYBMUJFWSA-N -1 0 342.292 3.226 20 30 EGEDRM N#CC[C@@H](CC(=O)[N-]S(=O)(=O)CCC1CCCC1)c1ccccc1 ZINC000835949299 1293408438 /nfs/dbraw/zinc/40/84/38/1293408438.db2.gz DJHCRPQZPUBVRF-KRWDZBQOSA-N -1 0 348.468 3.100 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cc(Cl)c(Cl)n1C ZINC000125668345 1293513378 /nfs/dbraw/zinc/51/33/78/1293513378.db2.gz JCOSOLOVAXGKFU-JTQLQIEISA-N -1 0 344.242 3.351 20 30 EGEDRM CSc1ccc(C)c(C([O-])=C(C#N)C(=O)NC2CCCCC2)c1 ZINC000127344717 1293560659 /nfs/dbraw/zinc/56/06/59/1293560659.db2.gz FLLPMFPTWBRMOT-MRXNPFEDSA-N -1 0 330.453 3.488 20 30 EGEDRM N#CC(C(=O)NC1CC1)=C([O-])c1csc(-c2ccc(Cl)cc2)n1 ZINC000129284955 1293619932 /nfs/dbraw/zinc/61/99/32/1293619932.db2.gz PJJJWXHSDLKAKT-LBPRGKRZSA-N -1 0 345.811 3.065 20 30 EGEDRM CC(C)NC(=O)C(C#N)=C([O-])c1ccc(-c2ccccc2Cl)o1 ZINC000130681583 1293664865 /nfs/dbraw/zinc/66/48/65/1293664865.db2.gz GJWXPAKNIUWFBX-GFCCVEGCSA-N -1 0 330.771 3.447 20 30 EGEDRM Cc1cc(Cl)ccc1C([O-])=C(C#N)C(=O)NCc1ccccc1 ZINC000132317233 1293715836 /nfs/dbraw/zinc/71/58/36/1293715836.db2.gz FHZZDSRVVCUPHS-MRXNPFEDSA-N -1 0 326.783 3.287 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])c(/C=N/C2CCN(c3cccs3)CC2)c1 ZINC000132471599 1293720181 /nfs/dbraw/zinc/72/01/81/1293720181.db2.gz AKGQSOWQCFNXRJ-GZTJUZNOSA-N -1 0 331.397 3.450 20 30 EGEDRM C=C[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc(C)cc1C)c1ccccc1 ZINC000136009043 1293807880 /nfs/dbraw/zinc/80/78/80/1293807880.db2.gz WPEXOUVVOHPTFU-INIZCTEOSA-N -1 0 343.448 3.468 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cnn(C2CCCC2)c1C ZINC000153197272 1294002878 /nfs/dbraw/zinc/00/28/78/1294002878.db2.gz XNGNNJOYIKJKQS-INIZCTEOSA-N -1 0 344.459 3.326 20 30 EGEDRM Cc1c(C(=O)Nc2cc(C#N)ccc2[O-])[nH]c2c1C(=O)CC(C)(C)C2 ZINC000176391972 1294603390 /nfs/dbraw/zinc/60/33/90/1294603390.db2.gz UZSRTDNQKXMTGE-UHFFFAOYSA-N -1 0 337.379 3.308 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)COc2cccc(C(F)(F)F)c2)c1 ZINC000176391928 1294603437 /nfs/dbraw/zinc/60/34/37/1294603437.db2.gz JYJOOWQTCGVKOP-UHFFFAOYSA-N -1 0 336.269 3.300 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)c1 ZINC000176821775 1294634663 /nfs/dbraw/zinc/63/46/63/1294634663.db2.gz VJYGYXLRIGBWQO-MRXNPFEDSA-N -1 0 338.363 3.074 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(CC)c([N+](=O)[O-])c1 ZINC000177594715 1294679417 /nfs/dbraw/zinc/67/94/17/1294679417.db2.gz BHVGVFJCXSIXAW-OAHLLOKOSA-N -1 0 345.399 3.176 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2O[C@@H](C)C#N)c(F)c1 ZINC000183131465 1295100786 /nfs/dbraw/zinc/10/07/86/1295100786.db2.gz NCBVLZXNBHRLQA-LBPRGKRZSA-N -1 0 334.372 3.226 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2O[C@@H](C)C#N)cc1F ZINC000183131557 1295101303 /nfs/dbraw/zinc/10/13/03/1295101303.db2.gz YHCRBDVXPICPTJ-LBPRGKRZSA-N -1 0 334.372 3.226 20 30 EGEDRM C=CCn1c(=O)c2ccc(C(=O)N(CC)CC(C)C)cc2[n-]c1=S ZINC000193333269 1295852844 /nfs/dbraw/zinc/85/28/44/1295852844.db2.gz QHPCKAZQECFKEA-UHFFFAOYSA-N -1 0 345.468 3.363 20 30 EGEDRM N#Cc1cccc(CS(=O)(=O)[N-]C(=O)CCCC2CCCCC2)c1 ZINC000195495157 1296072360 /nfs/dbraw/zinc/07/23/60/1296072360.db2.gz IHIWFNGVKRESGZ-UHFFFAOYSA-N -1 0 348.468 3.255 20 30 EGEDRM COc1cc(/C=C\C(=O)c2ccccc2C)ccc1OCC(=O)[O-] ZINC000213702598 1296110030 /nfs/dbraw/zinc/11/00/30/1296110030.db2.gz OPIUBCNWICMCLJ-CLFYSBASSA-N -1 0 326.348 3.363 20 30 EGEDRM COc1ccc(NC(C)=O)cc1N=Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000255269162 1296513225 /nfs/dbraw/zinc/51/32/25/1296513225.db2.gz PSDVGFIBGAAUOM-UHFFFAOYSA-N -1 0 329.312 3.018 20 30 EGEDRM COCCOc1ccccc1/C=C\C(=O)c1ccc(OC)cc1[O-] ZINC000255293179 1296514983 /nfs/dbraw/zinc/51/49/83/1296514983.db2.gz RMQUZWZMWRUCLG-YFHOEESVSA-N -1 0 328.364 3.322 20 30 EGEDRM C=CCC[C@@H](NC(=O)c1ccc(NC(=O)CC(C)C)c(C)c1)C(=O)[O-] ZINC000262797926 1296648457 /nfs/dbraw/zinc/64/84/57/1296648457.db2.gz CKIXXLWKHLDSEM-MRXNPFEDSA-N -1 0 346.427 3.129 20 30 EGEDRM Cc1nn(C)c2nc(Cl)cc(N=NC3CC[C@@H](C(=O)[O-])C[C@H]3C)c12 ZINC000872422732 1296952937 /nfs/dbraw/zinc/95/29/37/1296952937.db2.gz SFUFRYQFIXFNBG-PSASIEDQSA-N -1 0 349.822 3.219 20 30 EGEDRM CC(C)Oc1ccc(NC(=O)C2=C(C(=O)[O-])CCCC2)cc1C#N ZINC000872853969 1297141884 /nfs/dbraw/zinc/14/18/84/1297141884.db2.gz ZDMDVRHSMBXJMV-UHFFFAOYSA-N -1 0 328.368 3.239 20 30 EGEDRM C[C@@H](Oc1cccc(/C=C2/Oc3cc(F)cc(F)c3C2=O)c1)C(=O)[O-] ZINC000588450161 1298067213 /nfs/dbraw/zinc/06/72/13/1298067213.db2.gz FFODQPSBXFPUMU-UXWFALKESA-N -1 0 346.285 3.433 20 30 EGEDRM O=C(/C=C\c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc([O-])c(F)c1 ZINC000588594760 1298090523 /nfs/dbraw/zinc/09/05/23/1298090523.db2.gz QXJVEYZIWQFXLE-DJWKRKHSSA-N -1 0 332.243 3.244 20 30 EGEDRM COc1ccc2c(c1OC)O/C(=C/c1cc(F)c([O-])c(F)c1)C2=O ZINC000588618508 1298093484 /nfs/dbraw/zinc/09/34/84/1298093484.db2.gz WWHDRVHNEWXBNT-NTUHNPAUSA-N -1 0 334.274 3.304 20 30 EGEDRM CC(C)c1nc(C#N)c(N=NCc2cc(Cl)cc([N+](=O)[O-])c2[O-])o1 ZINC000745623930 1298436150 /nfs/dbraw/zinc/43/61/50/1298436150.db2.gz CMFXCQKDJNCOIX-UHFFFAOYSA-N -1 0 349.734 3.383 20 30 EGEDRM C#Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)c1 ZINC000748526100 1299030643 /nfs/dbraw/zinc/03/06/43/1299030643.db2.gz VJSMQUXPMWVLHB-UHFFFAOYSA-N -1 0 327.192 3.171 20 30 EGEDRM C[C@H](Oc1cccc(C(=O)/C=C\c2ccc(Cl)nc2)c1)C(=O)[O-] ZINC000748998121 1299122538 /nfs/dbraw/zinc/12/25/38/1299122538.db2.gz NQYNSOGXCZITLV-XOIDGJRKSA-N -1 0 331.755 3.483 20 30 EGEDRM Cc1cccc2ncc(C=NNc3ccc(Cl)c(C(=O)[O-])c3)n21 ZINC000755467802 1300343628 /nfs/dbraw/zinc/34/36/28/1300343628.db2.gz VGVWAGIMWMVEHD-UHFFFAOYSA-N -1 0 328.759 3.440 20 30 EGEDRM COc1cc(C=NNCc2cccc(Cl)c2)cc([N+](=O)[O-])c1[O-] ZINC000756831720 1300573395 /nfs/dbraw/zinc/57/33/95/1300573395.db2.gz LISVBSJWMKBJOU-UHFFFAOYSA-N -1 0 335.747 3.086 20 30 EGEDRM CC(C)NC(=O)C(C#N)=C([O-])c1cccc(-c2c(F)cccc2F)c1 ZINC000757408736 1300670456 /nfs/dbraw/zinc/67/04/56/1300670456.db2.gz JEOUVJUIHZSONH-AWEZNQCLSA-N -1 0 342.345 3.479 20 30 EGEDRM C#CC[C@@H](NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O)c1ccccc1 ZINC000757925103 1300758919 /nfs/dbraw/zinc/75/89/19/1300758919.db2.gz KZEPQGMCOTWQDB-OAHLLOKOSA-N -1 0 349.415 3.119 20 30 EGEDRM Cn1nc(C(F)(F)F)c(/C=C\C(=O)c2ccc(O)cc2[O-])c1Cl ZINC000758931828 1300983219 /nfs/dbraw/zinc/98/32/19/1300983219.db2.gz PHINDIDXCUKZNO-PLNGDYQASA-N -1 0 346.692 3.400 20 30 EGEDRM C#CCCCCNC(=O)c1cc(Br)cc(Cl)c1[O-] ZINC000759092634 1301013284 /nfs/dbraw/zinc/01/32/84/1301013284.db2.gz BJDGIWBTAADLGG-UHFFFAOYSA-N -1 0 330.609 3.341 20 30 EGEDRM COc1cccc(/C=C\C(=O)c2cc([N+](=O)[O-])ccc2[O-])c1OC ZINC000759091785 1301013108 /nfs/dbraw/zinc/01/31/08/1301013108.db2.gz UHFAJQBNDAIXOJ-VURMDHGXSA-N -1 0 329.308 3.214 20 30 EGEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)C1(C)CCCC1 ZINC000759234865 1301047248 /nfs/dbraw/zinc/04/72/48/1301047248.db2.gz BSWUZRDDGJFTFT-ZDUSSCGKSA-N -1 0 344.411 3.280 20 30 EGEDRM COc1cccc2c1C/C(=C\c1cccc(O[C@H](C)C(=O)[O-])c1)C2=O ZINC000759667257 1301137948 /nfs/dbraw/zinc/13/79/48/1301137948.db2.gz WZRFLSNRILJRKB-ZMTLZGASSA-N -1 0 338.359 3.370 20 30 EGEDRM CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C#N)ccc1[O-] ZINC000759714150 1301148452 /nfs/dbraw/zinc/14/84/52/1301148452.db2.gz WEYKKAUQQOPGFE-NHYWBVRUSA-N -1 0 347.415 3.142 20 30 EGEDRM Cc1nn(-c2ccccc2)c(Cl)c1C([O-])=C(C#N)c1ccncn1 ZINC000760335852 1301255515 /nfs/dbraw/zinc/25/55/15/1301255515.db2.gz VVXQOLAPFIEQJQ-ZDUSSCGKSA-N -1 0 337.770 3.114 20 30 EGEDRM CCCCCCCCC(=O)[N-]S(=O)(=O)Cc1ccccc1OC ZINC000760360925 1301261408 /nfs/dbraw/zinc/26/14/08/1301261408.db2.gz DOMGLKKVTJDFFZ-UHFFFAOYSA-N -1 0 341.473 3.392 20 30 EGEDRM COC(=O)[C@H](CC(F)F)/N=C\c1cc(Cl)cc(Cl)c1[O-] ZINC000761182839 1301415707 /nfs/dbraw/zinc/41/57/07/1301415707.db2.gz URDRNTAIKSLGOU-WWIGTKOVSA-N -1 0 326.126 3.315 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2csc(Cl)c2Cl)C(=O)O1 ZINC000761476083 1301479335 /nfs/dbraw/zinc/47/93/35/1301479335.db2.gz RCTJSVLUHJUTOA-MXQLGCADSA-N -1 0 331.176 3.283 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc2nc(C)sc2c1 ZINC000763930467 1301982576 /nfs/dbraw/zinc/98/25/76/1301982576.db2.gz NCBUPWBUKUVZSU-ZDUSSCGKSA-N -1 0 329.425 3.234 20 30 EGEDRM CN(C)c1cc(F)ccc1C(=O)/C=C/c1cccc(OCC(=O)[O-])c1 ZINC000764442635 1302064058 /nfs/dbraw/zinc/06/40/58/1302064058.db2.gz PSEYBOKOBWROMX-RMKNXTFCSA-N -1 0 343.354 3.251 20 30 EGEDRM Cc1nn2c(C=NNc3ccc(Cl)c(C(=O)[O-])c3)c(C)nc2s1 ZINC000765547924 1302282116 /nfs/dbraw/zinc/28/21/16/1302282116.db2.gz GHXAKORQYVVNDQ-UHFFFAOYSA-N -1 0 349.803 3.205 20 30 EGEDRM O=C([O-])c1ccc2c(c1)n[nH]c2C=NNc1cccc2cnccc21 ZINC000765572398 1302284432 /nfs/dbraw/zinc/28/44/32/1302284432.db2.gz QKFWSXUTGCSXHL-UHFFFAOYSA-N -1 0 331.335 3.255 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccnn1C1CCCC1 ZINC000766244905 1302415384 /nfs/dbraw/zinc/41/53/84/1302415384.db2.gz XMZMXSWYIYGOOG-HNNXBMFYSA-N -1 0 330.432 3.017 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2ccc(Cl)cc2C)n1 ZINC000767577802 1302713829 /nfs/dbraw/zinc/71/38/29/1302713829.db2.gz QOEMPOGIZAHNSR-CYBMUJFWSA-N -1 0 348.811 3.447 20 30 EGEDRM [O-]c1c(F)cc(Cl)cc1C=NN1C(=S)N=NC1c1ccco1 ZINC000768348898 1302885662 /nfs/dbraw/zinc/88/56/62/1302885662.db2.gz BHSNHAGXBMHFFZ-UHFFFAOYSA-N -1 0 338.751 3.207 20 30 EGEDRM C[C@@H](Oc1cccc(C(=O)/C=C/c2cccc3nccn32)c1)C(=O)[O-] ZINC000769610085 1303146494 /nfs/dbraw/zinc/14/64/94/1303146494.db2.gz NVMWDBNXODNGBR-MMQHEFTJSA-N -1 0 336.347 3.082 20 30 EGEDRM O=C(/C=C\c1cc([O-])ccc1[N+](=O)[O-])c1cnn(-c2ccccc2)c1 ZINC000772803983 1303579085 /nfs/dbraw/zinc/57/90/85/1303579085.db2.gz ATKKCFOROKGEMM-TWGQIWQCSA-N -1 0 335.319 3.382 20 30 EGEDRM O=C([O-])CCOc1cccc(/C=C2\Oc3cc(F)ccc3C2=O)c1 ZINC000773171057 1303637049 /nfs/dbraw/zinc/63/70/49/1303637049.db2.gz GRNOJAOMMGOYPQ-SXGWCWSVSA-N -1 0 328.295 3.295 20 30 EGEDRM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])c1nccs1 ZINC000774045594 1303767458 /nfs/dbraw/zinc/76/74/58/1303767458.db2.gz ZLUFTGTWIJRDMB-SECBINFHSA-N -1 0 349.799 3.075 20 30 EGEDRM CC(=NN=c1[nH]c2ccccc2n1C)c1cc(C(=O)[O-])c(C)nc1C ZINC000776724768 1304188185 /nfs/dbraw/zinc/18/81/85/1304188185.db2.gz YDKKNONLQPFHLB-UHFFFAOYSA-N -1 0 337.383 3.119 20 30 EGEDRM CC(C)(C)c1[n-]n(Cc2ccc3c(c2)COC3)c(=O)c1CCC#N ZINC000778034183 1304387581 /nfs/dbraw/zinc/38/75/81/1304387581.db2.gz JMXGHHSRNKUGNF-UHFFFAOYSA-N -1 0 325.412 3.421 20 30 EGEDRM C=CCS(=O)(=O)[N-]C(=O)C1(c2cccc(Cl)c2)CCCCC1 ZINC000779234214 1304545388 /nfs/dbraw/zinc/54/53/88/1304545388.db2.gz KVVQUCQQDHAYPX-UHFFFAOYSA-N -1 0 341.860 3.174 20 30 EGEDRM COc1cc(/C=C\C(=O)c2ccnc(Cl)c2)cc([N+](=O)[O-])c1[O-] ZINC000779460144 1304574822 /nfs/dbraw/zinc/57/48/22/1304574822.db2.gz KNRNFRYMSFNYEO-IHWYPQMZSA-N -1 0 334.715 3.254 20 30 EGEDRM Cc1nc2cc([N-]S(=O)(=O)c3ccc(C#N)cc3F)ccc2s1 ZINC000781119763 1304773620 /nfs/dbraw/zinc/77/36/20/1304773620.db2.gz AETUVSYZMDCGFV-UHFFFAOYSA-N -1 0 347.396 3.416 20 30 EGEDRM C=C[C@H]1CCCCN1S(=O)(=O)c1cc(C)c(Cl)c(C(=O)[O-])c1 ZINC000781957785 1304895974 /nfs/dbraw/zinc/89/59/74/1304895974.db2.gz HURXTGAFQGDCAV-NSHDSACASA-N -1 0 343.832 3.076 20 30 EGEDRM COC(=O)COc1ccc(/C=C\C(=O)c2cc(F)cc(F)c2[O-])cc1 ZINC000782184145 1304927461 /nfs/dbraw/zinc/92/74/61/1304927461.db2.gz GYVLNHJNXGZQHW-DAXSKMNVSA-N -1 0 348.301 3.118 20 30 EGEDRM Cc1ccc2cc(C=Nn3c(=O)c4ccccc4[n-]c3=S)ccc2n1 ZINC000783513628 1305101308 /nfs/dbraw/zinc/10/13/08/1305101308.db2.gz DAJJRHGLOIHVJM-UHFFFAOYSA-N -1 0 346.415 3.424 20 30 EGEDRM C=CC(C)(C)CC(=O)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000892422972 1305365246 /nfs/dbraw/zinc/36/52/46/1305365246.db2.gz ZDSNJQNHMMTKKL-UHFFFAOYSA-N -1 0 335.347 3.113 20 30 EGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC000892425616 1305367333 /nfs/dbraw/zinc/36/73/33/1305367333.db2.gz YHUMEHKQMAOTAI-FCMVICDYSA-N -1 0 336.391 3.183 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)oc1C ZINC000786535771 1305592718 /nfs/dbraw/zinc/59/27/18/1305592718.db2.gz VCSNSFSHOHMTOG-AWEZNQCLSA-N -1 0 330.771 3.189 20 30 EGEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2ccc(Cl)cc2)c1 ZINC000786538565 1305592885 /nfs/dbraw/zinc/59/28/85/1305592885.db2.gz AEASVSYQFHTHIH-INIZCTEOSA-N -1 0 326.783 3.287 20 30 EGEDRM C=C1CCC(C(=O)[N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)CC1 ZINC000892986363 1305640841 /nfs/dbraw/zinc/64/08/41/1305640841.db2.gz FRMAIUSRTLKBOQ-UHFFFAOYSA-N -1 0 349.786 3.170 20 30 EGEDRM O=C([O-])c1cc(N=NCC2CCC3(CC2)OCCO3)ccc1Cl ZINC000788698503 1305999209 /nfs/dbraw/zinc/99/92/09/1305999209.db2.gz CSJFGYVHLYQOAS-UHFFFAOYSA-N -1 0 338.791 3.369 20 30 EGEDRM O=C([O-])[C@@H]1CCC(=NNC(=S)NC2CCCCC2)c2ccccc21 ZINC000788952476 1306048800 /nfs/dbraw/zinc/04/88/00/1306048800.db2.gz VUWDQTBHZJEYDP-OAHLLOKOSA-N -1 0 345.468 3.150 20 30 EGEDRM CCC(=NN[C@@H](CC)C(=O)[O-])c1cc(F)cc(Br)c1 ZINC000793079362 1309292028 /nfs/dbraw/zinc/29/20/28/1309292028.db2.gz ROTVTFNWHAIFCE-LBPRGKRZSA-N -1 0 331.185 3.155 20 30 EGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)C[C@@H]1CCC(=O)[C@@H]1C ZINC000796628638 1310049883 /nfs/dbraw/zinc/04/98/83/1310049883.db2.gz LFPITWOGPIDSFJ-OSAQELSMSA-N -1 0 336.391 3.373 20 30 EGEDRM N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)=C([O-])c1cncs1 ZINC000796744528 1310078648 /nfs/dbraw/zinc/07/86/48/1310078648.db2.gz JCEBBQGCLWDZDJ-JTQLQIEISA-N -1 0 340.191 3.411 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)NCc1cccc(Oc2ccccc2)c1 ZINC000797712697 1310235934 /nfs/dbraw/zinc/23/59/34/1310235934.db2.gz QXXCWBJQJSVEKA-UHFFFAOYSA-N -1 0 340.379 3.261 20 30 EGEDRM N#Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000798212003 1310317508 /nfs/dbraw/zinc/31/75/08/1310317508.db2.gz RTKGTLNFNOXPJY-UHFFFAOYSA-N -1 0 346.170 3.200 20 30 EGEDRM N#Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000798210702 1310318292 /nfs/dbraw/zinc/31/82/92/1310318292.db2.gz GYBALQITDCXQAO-UHFFFAOYSA-N -1 0 346.170 3.200 20 30 EGEDRM C[C@@H](Oc1cccc(/C=C\C(=O)c2cnn(C3CCC3)c2)c1)C(=O)[O-] ZINC000899407500 1317022914 /nfs/dbraw/zinc/02/29/14/1317022914.db2.gz SWBUXCFKAMJZMH-LJTDUEICSA-N -1 0 340.379 3.356 20 30 EGEDRM N#CC(C(=O)NCc1cccc(Cl)c1)=C([O-])c1occ2c1CCC2 ZINC000802797463 1317042345 /nfs/dbraw/zinc/04/23/45/1317042345.db2.gz VTTIFJDCFFRCJS-OAHLLOKOSA-N -1 0 342.782 3.061 20 30 EGEDRM C=CCC1(C(=O)[N-]S(=O)(=O)c2csc3ccccc32)CCC1 ZINC000803030072 1317072810 /nfs/dbraw/zinc/07/28/10/1317072810.db2.gz ZHUZBHUQZBCVIK-UHFFFAOYSA-N -1 0 335.450 3.453 20 30 EGEDRM C#CC[C@H](NC(=O)Nc1ccc(S[C@H](C)CC)cc1C)C(=O)[O-] ZINC000900332689 1317274853 /nfs/dbraw/zinc/27/48/53/1317274853.db2.gz FIQSSIPZLRGKLX-DOMZBBRYSA-N -1 0 334.441 3.484 20 30 EGEDRM C=C(C)COc1cc(C[NH+]2CCC(CC(=O)[O-])CC2)ccc1OC ZINC000901419373 1317423443 /nfs/dbraw/zinc/42/34/43/1317423443.db2.gz QCFLUCWBUHCOFN-UHFFFAOYSA-N -1 0 333.428 3.337 20 30 EGEDRM N#CCCCCCC(=O)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000805844962 1317431168 /nfs/dbraw/zinc/43/11/68/1317431168.db2.gz OSOHWEMAHFKFFR-UHFFFAOYSA-N -1 0 349.239 3.272 20 30 EGEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)C(C)(C)C1CC1 ZINC000805860207 1317433086 /nfs/dbraw/zinc/43/30/86/1317433086.db2.gz BIADOMCYHYHLCH-ZDUSSCGKSA-N -1 0 344.411 3.136 20 30 EGEDRM Cc1ccc2nc(/C=C3\C[C@@H](C(=O)[O-])c4ccccc4C3=O)cn2c1 ZINC000806561405 1317501971 /nfs/dbraw/zinc/50/19/71/1317501971.db2.gz VAXPFHODXPJHKD-MSGBMKDASA-N -1 0 332.359 3.481 20 30 EGEDRM C[C@@H](Oc1ccc(CN=Nc2nccnc2C2CCC2)cc1)C(=O)[O-] ZINC000807990853 1317607799 /nfs/dbraw/zinc/60/77/99/1317607799.db2.gz CWPMAWBETBVXCZ-GFCCVEGCSA-N -1 0 340.383 3.042 20 30 EGEDRM CC(=NNc1ccc([N+](=O)[O-])cc1C)c1cc(C(=O)[O-])c(C)nc1C ZINC000807989041 1317608042 /nfs/dbraw/zinc/60/80/42/1317608042.db2.gz JOYVNQVUUWDWNR-UHFFFAOYSA-N -1 0 342.355 3.449 20 30 EGEDRM CC(=NNc1ccc([N+](=O)[O-])cc1C)c1cccc(OCC(=O)[O-])c1 ZINC000807990747 1317608228 /nfs/dbraw/zinc/60/82/28/1317608228.db2.gz MAKOOMBTSDYACC-UHFFFAOYSA-N -1 0 343.339 3.203 20 30 EGEDRM CC(N=Nc1nccnc1C1CCC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000807992504 1317608778 /nfs/dbraw/zinc/60/87/78/1317608778.db2.gz HDKVXPKTIPNULJ-UHFFFAOYSA-N -1 0 327.344 3.194 20 30 EGEDRM O=C([O-])CCOc1ccc(CN=Nc2nccnc2C2CCC2)cc1 ZINC000807993652 1317608901 /nfs/dbraw/zinc/60/89/01/1317608901.db2.gz BWHAIYOIVPFJSN-UHFFFAOYSA-N -1 0 340.383 3.044 20 30 EGEDRM CC(=NN[C@H]1CCSC1)c1cc(Br)cc(F)c1[O-] ZINC000807999443 1317610419 /nfs/dbraw/zinc/61/04/19/1317610419.db2.gz NDISJDPIQSRSKU-VIFPVBQESA-N -1 0 333.226 3.113 20 30 EGEDRM C=CCN(Cc1cc(OC)c(C(=O)[O-])cc1Br)C1CC1 ZINC000903895787 1317742988 /nfs/dbraw/zinc/74/29/88/1317742988.db2.gz LDMXHFSANGDMTQ-UHFFFAOYSA-N -1 0 340.217 3.306 20 30 EGEDRM C=C1CCN(Cc2cc(OC)c(C(=O)[O-])cc2Br)CC1 ZINC000903891380 1317743476 /nfs/dbraw/zinc/74/34/76/1317743476.db2.gz NUYHLJCDTPLAJK-UHFFFAOYSA-N -1 0 340.217 3.308 20 30 EGEDRM Cc1nccn1-c1ccc(C(=O)/C=C/c2ccc(O)c(C(=O)[O-])c2)cc1 ZINC000809157088 1317776847 /nfs/dbraw/zinc/77/68/47/1317776847.db2.gz HNZIOQATMFQYDJ-KRXBUXKQSA-N -1 0 348.358 3.481 20 30 EGEDRM CC[C@H](CN1CCOCC1)/N=C/c1cc(Cl)cc(Cl)c1[O-] ZINC000905002746 1317914021 /nfs/dbraw/zinc/91/40/21/1317914021.db2.gz LSMWXQGOPYOSDA-AGZSBTIMSA-N -1 0 331.243 3.229 20 30 EGEDRM Cc1csc([N-]S(=O)(=O)c2c(C)nn(C(C)C)c2C)c1C#N ZINC000906071614 1318034060 /nfs/dbraw/zinc/03/40/60/1318034060.db2.gz CZBGATKHMVCDJT-UHFFFAOYSA-N -1 0 338.458 3.123 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)C[C@@H](C)c2ccc(CC)cc2)CC1 ZINC000810987678 1318088303 /nfs/dbraw/zinc/08/83/03/1318088303.db2.gz VJXLTWVIHYYUNR-CQSZACIVSA-N -1 0 335.469 3.297 20 30 EGEDRM CC(=NNC[C@@H]1CCSC1)c1cc(Br)c(F)cc1[O-] ZINC000811660745 1318221967 /nfs/dbraw/zinc/22/19/67/1318221967.db2.gz UBSGTSRMXSODMZ-VIFPVBQESA-N -1 0 347.253 3.361 20 30 EGEDRM O=C([O-])c1csc(/C=C\C(=O)c2ccc(Br)nc2)c1 ZINC000811697046 1318229478 /nfs/dbraw/zinc/22/94/78/1318229478.db2.gz QNQPQBHJGRRRFL-IHWYPQMZSA-N -1 0 338.182 3.500 20 30 EGEDRM C=CCC[C@H](NC(=O)NC[C@H]1CCC[C@@H](C(F)(F)F)C1)C(=O)[O-] ZINC000909004979 1318426086 /nfs/dbraw/zinc/42/60/86/1318426086.db2.gz RDKLQSCZWKWTMQ-TUAOUCFPSA-N -1 0 336.354 3.074 20 30 EGEDRM C#CCO[N-]C(=O)[C@@H](Sc1ccc(F)c(F)c1)c1ccccc1 ZINC000812781767 1318453594 /nfs/dbraw/zinc/45/35/94/1318453594.db2.gz FGPBCZMEAZNIBE-INIZCTEOSA-N -1 0 333.359 3.479 20 30 EGEDRM C=CC[C@@H]1CCCN(C(=O)c2[nH]c3ccccc3c2CC(=O)[O-])C1 ZINC000909945260 1318541041 /nfs/dbraw/zinc/54/10/41/1318541041.db2.gz YVZREBKMADFSAQ-CYBMUJFWSA-N -1 0 326.396 3.223 20 30 EGEDRM CCOc1ccc(C[C@H](CNc2ccc(C#N)c(C)n2)C(=O)[O-])cc1 ZINC000910409123 1318626036 /nfs/dbraw/zinc/62/60/36/1318626036.db2.gz NQNZEPCAIKIKNI-MRXNPFEDSA-N -1 0 339.395 3.016 20 30 EGEDRM Cc1cccc(NC(=S)NN=C2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c1C ZINC000814707379 1318801928 /nfs/dbraw/zinc/80/19/28/1318801928.db2.gz PKNSCFQEQQDPIF-SMDDNHRTSA-N -1 0 333.457 3.467 20 30 EGEDRM Cc1ccc(C)c(NC(=S)NN=C2CC[C@H](C(=O)[O-])C[C@@H]2C)c1 ZINC000814706882 1318802409 /nfs/dbraw/zinc/80/24/09/1318802409.db2.gz GPEBXXJANBKRPB-STQMWFEESA-N -1 0 333.457 3.467 20 30 EGEDRM O=C([O-])C1(c2ccccc2)CC(N=Nc2nc(-c3ccccc3)no2)C1 ZINC000814829333 1318827139 /nfs/dbraw/zinc/82/71/39/1318827139.db2.gz PZHIUSCPBAINDV-UHFFFAOYSA-N -1 0 348.362 3.321 20 30 EGEDRM O=C([O-])c1cccc(C=NNc2cnnc3ccccc32)c1Cl ZINC000814848971 1318831226 /nfs/dbraw/zinc/83/12/26/1318831226.db2.gz AUISRHUWVYRHLK-UHFFFAOYSA-N -1 0 326.743 3.427 20 30 EGEDRM C[C@H]1C(=NNc2nc(=O)c3ccccc3[nH]2)CC[C@@H](C(=O)[O-])C1(C)C ZINC000814868857 1318834311 /nfs/dbraw/zinc/83/43/11/1318834311.db2.gz LIBONQQADJRVER-JQWIXIFHSA-N -1 0 342.399 3.260 20 30 EGEDRM COc1ccc(NN=C(C)c2cccc(O[C@H](C)C(=O)[O-])c2)cc1 ZINC000814885377 1318838461 /nfs/dbraw/zinc/83/84/61/1318838461.db2.gz XPAGSJYFGCYXGL-CYBMUJFWSA-N -1 0 328.368 3.383 20 30 EGEDRM COc1cccc(N=NC2CC(C(=O)[O-])(c3cccc(Cl)c3)C2)n1 ZINC000814900027 1318842815 /nfs/dbraw/zinc/84/28/15/1318842815.db2.gz ADUPXCMZEUCXIF-UHFFFAOYSA-N -1 0 345.786 3.328 20 30 EGEDRM Cc1cccnc1N=NC(C)CCc1ccc(OCC(=O)[O-])cc1 ZINC000814911522 1318848161 /nfs/dbraw/zinc/84/81/61/1318848161.db2.gz MGNDMGGZHZVDSO-UHFFFAOYSA-N -1 0 327.384 3.274 20 30 EGEDRM C[C@@H]1C(=NNCc2ccccc2N(C)C)CC[C@@H](C(=O)[O-])C1(C)C ZINC000814926186 1318851480 /nfs/dbraw/zinc/85/14/80/1318851480.db2.gz SQQBZPJVVGKALI-HIFRSBDPSA-N -1 0 331.460 3.355 20 30 EGEDRM CC[C@@H](NN=C(C)c1sc(-c2ccc(OC)cc2)nc1C)C(=O)[O-] ZINC000814937050 1318854976 /nfs/dbraw/zinc/85/49/76/1318854976.db2.gz SFQAZRSSRROHNS-CQSZACIVSA-N -1 0 347.440 3.304 20 30 EGEDRM CC(C)(C#N)CS(=O)(=O)[N-][C@H](CCc1ccccc1)C(F)(F)F ZINC000914340243 1319300196 /nfs/dbraw/zinc/30/01/96/1319300196.db2.gz WVXZGSVWXDOREN-CYBMUJFWSA-N -1 0 348.390 3.019 20 30 EGEDRM Cc1cccc(NC(=S)NN=Cc2cc([N+](=O)[O-])ccc2[O-])c1C ZINC000915911981 1319560079 /nfs/dbraw/zinc/56/00/79/1319560079.db2.gz LOOGWCFGGWHJFI-UHFFFAOYSA-N -1 0 344.396 3.238 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1nc(-c2ccccc2)[nH]c1C ZINC000916877212 1319718637 /nfs/dbraw/zinc/71/86/37/1319718637.db2.gz DNIMNNKQQGZWAE-HNNXBMFYSA-N -1 0 338.411 3.014 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1oc2ccccc2c1COC ZINC000916877063 1319719220 /nfs/dbraw/zinc/71/92/20/1319719220.db2.gz NWLKTYGBLJYPEX-AWEZNQCLSA-N -1 0 342.395 3.208 20 30 EGEDRM C=CCNC(=O)C(C#N)=C([O-])c1ccc(-c2ccc(F)cc2)s1 ZINC000916918274 1319724475 /nfs/dbraw/zinc/72/44/75/1319724475.db2.gz QWSLZPFHAXYJLG-CYBMUJFWSA-N -1 0 328.368 3.179 20 30 EGEDRM C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000820356825 1319876580 /nfs/dbraw/zinc/87/65/80/1319876580.db2.gz GXUQJZABOXBLEV-UHFFFAOYSA-N -1 0 329.487 3.453 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@H](CC)Cc2ccccc2C)CC1 ZINC000821133321 1320000803 /nfs/dbraw/zinc/00/08/03/1320000803.db2.gz GJXIOEGNSRCPNK-OAHLLOKOSA-N -1 0 335.469 3.118 20 30 EGEDRM C=CCC[C@H](NC(=O)N[C@@H]1CC2(CCC2)Oc2ccccc21)C(=O)[O-] ZINC000837299202 1320594724 /nfs/dbraw/zinc/59/47/24/1320594724.db2.gz SWQPDXSRZNHIDP-LSDHHAIUSA-N -1 0 344.411 3.152 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)C2=CCC(C)(C)CC2)n1 ZINC000838343053 1320762630 /nfs/dbraw/zinc/76/26/30/1320762630.db2.gz FZWQMKPOIWQNRI-ZDUSSCGKSA-N -1 0 332.425 3.308 20 30 EGEDRM O=C1[C@H](/N=C/c2cc(Cl)cc(Cl)c2[O-])C[C@H]2CCCCN12 ZINC000840708488 1321131946 /nfs/dbraw/zinc/13/19/46/1321131946.db2.gz BUNIVFQUXYEHEW-KYIKQNNASA-N -1 0 327.211 3.271 20 30 EGEDRM CC[C@@H](CSc1nc(-c2ccc(OC)cc2)c(C#N)c(=O)[n-]1)OC ZINC000841670713 1321294553 /nfs/dbraw/zinc/29/45/53/1321294553.db2.gz ZTFYWAVEEBDRJV-LBPRGKRZSA-N -1 0 345.424 3.247 20 30 EGEDRM CCCON=C(C)c1cc(Br)ccc1OCC(=O)[O-] ZINC000842551420 1321401337 /nfs/dbraw/zinc/40/13/37/1321401337.db2.gz QSOWSWXWYRFPOH-UHFFFAOYSA-N -1 0 330.178 3.063 20 30 EGEDRM CC(=NN[C@H](C)C(F)(F)F)c1ccc(O)c(Br)c1 ZINC000844601283 1321625135 /nfs/dbraw/zinc/62/51/35/1321625135.db2.gz RFQKZCRZAFAPRJ-SSDOTTSWSA-N -1 0 325.128 3.419 20 30 EGEDRM C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccc(S[C@@H](C)CC)cc1C ZINC000846156099 1321772459 /nfs/dbraw/zinc/77/24/59/1321772459.db2.gz SPIMMJHIJRRJLV-OLZOCXBDSA-N -1 0 336.457 3.446 20 30 EGEDRM C=C[C@@H](C)O[N-]C(=O)CSc1nc(C)c(Cc2ccccc2)[nH]1 ZINC000846540927 1321791561 /nfs/dbraw/zinc/79/15/61/1321791561.db2.gz BWBHCFJEPGBZIA-GFCCVEGCSA-N -1 0 331.441 3.023 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(CC)s2)n1 ZINC000920327521 1322163559 /nfs/dbraw/zinc/16/35/59/1322163559.db2.gz TVUGWBPOSKAFPZ-JTQLQIEISA-N -1 0 334.422 3.434 20 30 EGEDRM O=C([O-])COc1cccc(C(=O)/C=C\c2ccc(O)c(Cl)c2)c1 ZINC000921261546 1322282352 /nfs/dbraw/zinc/28/23/52/1322282352.db2.gz LSVYOGBRNNKSCG-XQRVVYSFSA-N -1 0 332.739 3.405 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc2c(c1)C[C@@H](C)O2 ZINC000850753128 1322284401 /nfs/dbraw/zinc/28/44/01/1322284401.db2.gz XRJQPCQZTHRULW-CZUORRHYSA-N -1 0 328.412 3.029 20 30 EGEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1cc2cc(Cl)ccc2s1 ZINC000850752711 1322284734 /nfs/dbraw/zinc/28/47/34/1322284734.db2.gz RRGGDGNDWCENDO-LBPRGKRZSA-N -1 0 332.812 3.500 20 30 EGEDRM CCCCCCCC[C@@H](C)C(=O)[N-]S(=O)(=O)C[C@@H]1CCCOC1 ZINC000851018591 1322324715 /nfs/dbraw/zinc/32/47/15/1322324715.db2.gz OYXUVBAJPYNALN-HZPDHXFCSA-N -1 0 347.521 3.246 20 30 EGEDRM C[C@H](C#N)S(=O)(=O)[N-]c1c(Cl)nc(Cl)cc1C(F)(F)F ZINC001193106212 1367945321 /nfs/dbraw/zinc/94/53/21/1367945321.db2.gz MLZCOAXKPMNDGT-SCSAIBSYSA-N -1 0 348.133 3.061 20 30 EGEDRM CCC(C#N)(CC)C(=O)[N-]S(=O)(=O)[C@H](c1ccccc1)C(C)C ZINC000860789367 1329355767 /nfs/dbraw/zinc/35/57/67/1329355767.db2.gz BVZPVDVYILGHJC-HNNXBMFYSA-N -1 0 336.457 3.160 20 30 EGEDRM C=CC1CCN(C(=O)c2cc(Br)cc(F)c2[O-])CC1 ZINC000865699038 1329730542 /nfs/dbraw/zinc/73/05/42/1329730542.db2.gz XONPORCNOYITIX-UHFFFAOYSA-N -1 0 328.181 3.332 20 30 EGEDRM CCCCN(CC#N)C(=O)CCC(=O)C=C([O-])c1ccc(Cl)cc1 ZINC001184120797 1387395873 /nfs/dbraw/zinc/39/58/73/1387395873.db2.gz VQXIAZLIYGVKFS-UHFFFAOYSA-N -1 0 348.830 3.414 20 30 EGEDRM N#CC1(CNC(=O)CCC(=O)C=C([O-])c2ccc(Cl)cc2)CCC1 ZINC001184119961 1387395879 /nfs/dbraw/zinc/39/58/79/1387395879.db2.gz ZRBZWZPNMXNKHJ-UHFFFAOYSA-N -1 0 346.814 3.072 20 30 EGEDRM Cc1ccc(Br)nc1NC(=O)CCC(=O)C1=CC=C[CH]1 ZINC001184241555 1387418455 /nfs/dbraw/zinc/41/84/55/1387418455.db2.gz VRKRUAAFGDOZFK-UHFFFAOYSA-N -1 0 334.193 3.141 20 30 EGEDRM Cc1cc(NC(=O)CCC(=O)C2=CC=C[CH]2)n(-c2ccccc2F)n1 ZINC001184240937 1387418602 /nfs/dbraw/zinc/41/86/02/1387418602.db2.gz JZNMDBDNCMMAMA-UHFFFAOYSA-N -1 0 338.362 3.308 20 30 EGEDRM N=C(Cc1cccc(C(F)(F)F)c1)NC(=O)CCC(=O)C1=CC=C[CH]1 ZINC001184246662 1387419339 /nfs/dbraw/zinc/41/93/39/1387419339.db2.gz YGENIOCXCFSTOS-UHFFFAOYSA-N -1 0 349.332 3.391 20 30 EGEDRM Cc1c(=O)[n-]n(-c2ccccc2)c1NC(=O)Nc1ccc(C#N)cc1 ZINC001184781441 1387537625 /nfs/dbraw/zinc/53/76/25/1387537625.db2.gz OCRJTIVDLZORMV-UHFFFAOYSA-N -1 0 333.351 3.402 20 30 EGEDRM N#Cc1cc([N-]S(=O)(=O)c2ccc(-c3cnco3)cc2)cs1 ZINC001185196038 1387645942 /nfs/dbraw/zinc/64/59/42/1387645942.db2.gz YUYCKNQLOKNMIM-UHFFFAOYSA-N -1 0 331.378 3.076 20 30 EGEDRM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(C(C)(C)C#N)nc1 ZINC001185796917 1387802028 /nfs/dbraw/zinc/80/20/28/1387802028.db2.gz VCXOZHMYZKHIII-UHFFFAOYSA-N -1 0 333.388 3.131 20 30 EGEDRM CC(C)(C)c1csc([N-]S(=O)(=O)c2cc(C#N)ccc2F)n1 ZINC001190608010 1367306938 /nfs/dbraw/zinc/30/69/38/1367306938.db2.gz IBGAOFRWLBIZDN-UHFFFAOYSA-N -1 0 339.417 3.252 20 30 EGEDRM CC(C)OCc1cccc([N-]S(=O)(=O)c2cc(C#N)ccc2F)c1 ZINC001190650981 1367316291 /nfs/dbraw/zinc/31/62/91/1367316291.db2.gz QOLLUYWOZPZYGD-UHFFFAOYSA-N -1 0 348.399 3.423 20 30 EGEDRM Cc1ccc2c([N-]S(=O)(=O)c3cc(C#N)ccc3F)cccc2n1 ZINC001190650782 1367316724 /nfs/dbraw/zinc/31/67/24/1367316724.db2.gz LLFWHJBWHFRCMD-UHFFFAOYSA-N -1 0 341.367 3.355 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)N[C@H](c2cccc(F)c2)C2CC2)c1 ZINC001190676716 1367326696 /nfs/dbraw/zinc/32/66/96/1367326696.db2.gz AYIBFWXBFAHTGQ-KRWDZBQOSA-N -1 0 348.374 3.266 20 30 EGEDRM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1c(O)cccc1C#N ZINC001191698060 1367564121 /nfs/dbraw/zinc/56/41/21/1367564121.db2.gz GFDQRAICMWONOV-UHFFFAOYSA-N -1 0 346.408 3.197 20 30 EGEDRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2cccc(F)c2C#N)c1 ZINC001192805678 1367878341 /nfs/dbraw/zinc/87/83/41/1367878341.db2.gz MDNARUKWDFVGHM-UHFFFAOYSA-N -1 0 334.372 3.069 20 30 EGEDRM N#Cc1cc(Cl)cc([N-]S(=O)(=O)c2cnccc2Cl)c1 ZINC001192894064 1367898263 /nfs/dbraw/zinc/89/82/63/1367898263.db2.gz VIKOMAFFFNVEAY-UHFFFAOYSA-N -1 0 328.180 3.061 20 30 EGEDRM C[C@H](C#N)S(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1C(F)(F)F ZINC001193145756 1367953205 /nfs/dbraw/zinc/95/32/05/1367953205.db2.gz AMAKVQBOSVYDDF-ZCFIWIBFSA-N -1 0 346.252 3.378 20 30 EGEDRM CC(C)(NC(=O)c1cc(O)c([O-])c(Cl)c1)c1ccc(C#N)cc1 ZINC001193625066 1368077162 /nfs/dbraw/zinc/07/71/62/1368077162.db2.gz DSCLLZIUXWRSCM-UHFFFAOYSA-N -1 0 330.771 3.288 20 30 EGEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cccc(OC(C)C)c2)c1 ZINC001193680306 1368092844 /nfs/dbraw/zinc/09/28/44/1368092844.db2.gz HMCXAJQJFBIFRN-UHFFFAOYSA-N -1 0 346.408 3.155 20 30 EGEDRM CCCCCCCOC(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC001194012165 1368166175 /nfs/dbraw/zinc/16/61/75/1368166175.db2.gz CVCQNCSBJVWLKX-UHFFFAOYSA-N -1 0 336.388 3.020 20 30 EGEDRM C#Cc1ccc(NC(=O)c2c(C)[n-]n(-c3ccccc3)c2=O)cc1F ZINC001194277124 1368222884 /nfs/dbraw/zinc/22/28/84/1368222884.db2.gz SYDQKKFKFGPECI-UHFFFAOYSA-N -1 0 335.338 3.259 20 30 EGEDRM COc1cc(C)c(S(=O)(=O)[N-]c2cc(F)ccc2C#N)c(C)c1C ZINC001194865033 1368338437 /nfs/dbraw/zinc/33/84/37/1368338437.db2.gz XAEKXBFCYQKAFM-UHFFFAOYSA-N -1 0 348.399 3.432 20 30 EGEDRM N#Cc1ccc(F)c(F)c1[N-]C(=O)c1ncnc(Cl)c1Cl ZINC001195032425 1368364592 /nfs/dbraw/zinc/36/45/92/1368364592.db2.gz XSRCFUCISQVZMM-UHFFFAOYSA-N -1 0 329.093 3.186 20 30 EGEDRM N#Cc1ccc(C(=O)NCCc2c[nH]c3cccc(Cl)c23)c([O-])c1 ZINC001195767883 1368486017 /nfs/dbraw/zinc/48/60/17/1368486017.db2.gz BDKFAENYPOQLKD-UHFFFAOYSA-N -1 0 339.782 3.371 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2C#N)c(F)c1 ZINC001196384493 1368603306 /nfs/dbraw/zinc/60/33/06/1368603306.db2.gz OZPMTVJUIDHHKV-UHFFFAOYSA-N -1 0 326.299 3.085 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)c(C#N)c2)c(F)c1 ZINC001196384984 1368603348 /nfs/dbraw/zinc/60/33/48/1368603348.db2.gz TYLAAWRUNXKKHD-UHFFFAOYSA-N -1 0 326.299 3.085 20 30 EGEDRM CC(C)(C)c1cc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)on1 ZINC001196648577 1368655335 /nfs/dbraw/zinc/65/53/35/1368655335.db2.gz YGVAGKTXAIPCJT-UHFFFAOYSA-N -1 0 339.804 3.298 20 30 EGEDRM Cc1nc2c(cccc2[N-]S(=O)(=O)c2cc(Cl)ccc2C#N)o1 ZINC001196679969 1368660821 /nfs/dbraw/zinc/66/08/21/1368660821.db2.gz SECSXNVVHJDNHU-UHFFFAOYSA-N -1 0 347.783 3.462 20 30 EGEDRM COc1ccc(F)c(S(=O)(=O)[N-]c2cc(C#N)c(C)cc2C)c1 ZINC001196778419 1368683024 /nfs/dbraw/zinc/68/30/24/1368683024.db2.gz GFMZRQKNKKEVQS-UHFFFAOYSA-N -1 0 334.372 3.124 20 30 EGEDRM N#Cc1cc(O)ccc1[N-]S(=O)(=O)c1csc2ccccc21 ZINC001186499602 1387955584 /nfs/dbraw/zinc/95/55/84/1387955584.db2.gz ZLLNKNWTMXIRII-UHFFFAOYSA-N -1 0 330.390 3.279 20 30 EGEDRM CC(C)(C#N)c1ccc(NC(=S)Nc2ccc(C(=O)[O-])cc2)cn1 ZINC001197075818 1368741507 /nfs/dbraw/zinc/74/15/07/1368741507.db2.gz VRYNURIYGYEDGO-UHFFFAOYSA-N -1 0 340.408 3.390 20 30 EGEDRM N#Cc1ncc(NC(=S)Nc2ccc(C(=O)[O-])cc2)cc1Cl ZINC001197082275 1368741789 /nfs/dbraw/zinc/74/17/89/1368741789.db2.gz AWEFNOPJYNRGKJ-UHFFFAOYSA-N -1 0 332.772 3.114 20 30 EGEDRM N#Cc1cccc2c1CC[C@H]2NC(=S)Nc1ccc(C(=O)[O-])cc1 ZINC001197136625 1368752686 /nfs/dbraw/zinc/75/26/86/1368752686.db2.gz HRHSXDWDINGSQV-MRXNPFEDSA-N -1 0 337.404 3.230 20 30 EGEDRM N#Cc1ccc(-c2ccc(C(=O)Nc3cc(=O)[n-]c(Cl)n3)o2)cc1 ZINC001197388337 1368803731 /nfs/dbraw/zinc/80/37/31/1368803731.db2.gz WTZYRDPAWVJOLV-UHFFFAOYSA-N -1 0 340.726 3.220 20 30 EGEDRM N#Cc1cccc(Cl)c1[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC001197600871 1368851961 /nfs/dbraw/zinc/85/19/61/1368851961.db2.gz SQYIDDVAPINYEN-UHFFFAOYSA-N -1 0 342.754 3.432 20 30 EGEDRM C#Cc1cccnc1[N-]S(=O)(=O)Cc1cccc(Cl)c1Cl ZINC001197718033 1368880552 /nfs/dbraw/zinc/88/05/52/1368880552.db2.gz VLFFIIDGMRPEGL-UHFFFAOYSA-N -1 0 341.219 3.312 20 30 EGEDRM CC(C)C[C@@H](C#N)NS(=O)(=O)Cc1cccc(Cl)c1Cl ZINC001197773580 1368892634 /nfs/dbraw/zinc/89/26/34/1368892634.db2.gz XSIJKPQKEZMZPO-NSHDSACASA-N -1 0 335.256 3.351 20 30 EGEDRM Cc1oc2cc(O)ccc2c1C(=O)Nc1cc(C#N)c(F)cc1[O-] ZINC001198628832 1369077399 /nfs/dbraw/zinc/07/73/99/1369077399.db2.gz HWBAFCYJZQGYEO-UHFFFAOYSA-N -1 0 326.283 3.416 20 30 EGEDRM CCCCCCCCN(C)S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198760121 1369107364 /nfs/dbraw/zinc/10/73/64/1369107364.db2.gz BRWXRHBGLGOXFD-UHFFFAOYSA-N -1 0 327.446 3.366 20 30 EGEDRM CCCCCCCN(CC)S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198761719 1369107755 /nfs/dbraw/zinc/10/77/55/1369107755.db2.gz UTPDMGMATONRCK-UHFFFAOYSA-N -1 0 327.446 3.366 20 30 EGEDRM Cc1cccc(S(=O)(=O)[N-]c2c(F)c(F)ccc2C#N)c1F ZINC001200811458 1369432131 /nfs/dbraw/zinc/43/21/31/1369432131.db2.gz WMKKJFLXFIGGFZ-UHFFFAOYSA-N -1 0 326.299 3.085 20 30 EGEDRM COc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(C)c(C#N)c1 ZINC001201287365 1369511006 /nfs/dbraw/zinc/51/10/06/1369511006.db2.gz HUUZSCVHNHRPFT-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2cc(CC(C)(C)C)no2)cc1C#N ZINC001201293406 1369512333 /nfs/dbraw/zinc/51/23/33/1369512333.db2.gz WTYIFDHWKFSAIR-UHFFFAOYSA-N -1 0 333.413 3.244 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2cc(C(C)(C)C)ns2)cc1C#N ZINC001201295354 1369512838 /nfs/dbraw/zinc/51/28/38/1369512838.db2.gz PFIFNJBNBYILBZ-UHFFFAOYSA-N -1 0 335.454 3.422 20 30 EGEDRM Cc1nc(Cl)sc1S(=O)(=O)[N-]c1ccc(C)c(C#N)c1 ZINC001201756438 1369617510 /nfs/dbraw/zinc/61/75/10/1369617510.db2.gz QWWIMBQKFMPJSJ-UHFFFAOYSA-N -1 0 327.818 3.086 20 30 EGEDRM Cc1nc(Cl)sc1S(=O)(=O)[N-]c1ccc(F)c(C#N)c1F ZINC001201760627 1369618698 /nfs/dbraw/zinc/61/86/98/1369618698.db2.gz OZWNXXADCLHVDO-UHFFFAOYSA-N -1 0 349.771 3.056 20 30 EGEDRM N#Cc1ccccc1O[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2)C1 ZINC001204157047 1370393362 /nfs/dbraw/zinc/39/33/62/1370393362.db2.gz PWPZXLXDTKLRLE-GOSISDBHSA-N -1 0 336.391 3.300 20 30 EGEDRM N#CCc1ccccc1[N-]S(=O)(=O)c1cc2c(s1)CCCC2 ZINC001187210759 1388072967 /nfs/dbraw/zinc/07/29/67/1388072967.db2.gz ZPUGHRBVAFNKFP-UHFFFAOYSA-N -1 0 332.450 3.494 20 30 EGEDRM CCOC(=O)c1cc(C)nc(-c2ccc(F)c(C(=O)[O-])c2F)c1C#N ZINC001205061933 1370640769 /nfs/dbraw/zinc/64/07/69/1370640769.db2.gz UUIKYVUZRXYXHN-UHFFFAOYSA-N -1 0 346.289 3.082 20 30 EGEDRM C=CC[C@@H](NC(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC001116922734 1371001365 /nfs/dbraw/zinc/00/13/65/1371001365.db2.gz ZUMFYIDRJOBSJU-ZWNOBZJWSA-N -1 0 329.318 3.345 20 30 EGEDRM CC(C)(C)S(=O)(=O)[N-]C(=O)c1ccccc1-c1ccccc1C#N ZINC001117758789 1371076213 /nfs/dbraw/zinc/07/62/13/1371076213.db2.gz FLIDZZHYAJAZNV-UHFFFAOYSA-N -1 0 342.420 3.083 20 30 EGEDRM Cc1ccc(-c2nc(C)c(C([O-])=C(C#N)c3nccn3C)s2)o1 ZINC001122517462 1372265471 /nfs/dbraw/zinc/26/54/71/1372265471.db2.gz BVWZEDIBJVFAKK-LLVKDONJSA-N -1 0 326.381 3.244 20 30 EGEDRM Cc1cn(-c2ccc(F)cc2)nc1C([O-])=C(C#N)c1cccc(F)n1 ZINC001122643666 1372290428 /nfs/dbraw/zinc/29/04/28/1372290428.db2.gz KLDJWJRUVUEOSO-AWEZNQCLSA-N -1 0 338.317 3.344 20 30 EGEDRM N#Cc1ncc(Br)cc1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210393632 1372341604 /nfs/dbraw/zinc/34/16/04/1372341604.db2.gz WYYIXFKIIDOCHQ-UHFFFAOYSA-N -1 0 335.117 3.073 20 30 EGEDRM Cc1cccc(C#N)c1[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC001187966770 1388200702 /nfs/dbraw/zinc/20/07/02/1388200702.db2.gz HHEHTHFIJYKRLO-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM N#Cc1cc(Nc2ccc(N3CCOCC3)c(F)c2)c([O-])cc1F ZINC001211002485 1372469281 /nfs/dbraw/zinc/46/92/81/1372469281.db2.gz IJVUNEGXHWCFBO-UHFFFAOYSA-N -1 0 331.322 3.122 20 30 EGEDRM CCOC(=O)c1cc(Nc2cc(C#N)ccc2[O-])cc([N+](=O)[O-])c1 ZINC001211374689 1372543153 /nfs/dbraw/zinc/54/31/53/1372543153.db2.gz YCIOUNQXKPJLOJ-UHFFFAOYSA-N -1 0 327.296 3.092 20 30 EGEDRM CCOC(=O)c1c(C)oc(Nc2ccc(C(=O)[O-])cc2C)c1C#N ZINC001211618658 1372590912 /nfs/dbraw/zinc/59/09/12/1372590912.db2.gz KXVAHMGGIOWIKD-UHFFFAOYSA-N -1 0 328.324 3.387 20 30 EGEDRM CCCCCCCCS(=O)(=O)[N-]c1cccc(O)c1C(=O)OC ZINC001188018109 1388216826 /nfs/dbraw/zinc/21/68/26/1388216826.db2.gz UJGBYLMUSWHTQR-UHFFFAOYSA-N -1 0 343.445 3.281 20 30 EGEDRM N#Cc1cccc(F)c1Nc1ccc(NC(=O)CCC(=O)[O-])cc1 ZINC001213187614 1372856514 /nfs/dbraw/zinc/85/65/14/1372856514.db2.gz YNETWBKUXKHSRS-UHFFFAOYSA-N -1 0 327.315 3.244 20 30 EGEDRM N#Cc1ccc(Nc2ccc3ccccc3c2S(=O)(=O)[O-])c(N)c1 ZINC001213364004 1372893334 /nfs/dbraw/zinc/89/33/34/1372893334.db2.gz SAQIMSORRVSJJP-UHFFFAOYSA-N -1 0 339.376 3.284 20 30 EGEDRM Cc1ccc([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)c(C#N)c1 ZINC001188067598 1388234178 /nfs/dbraw/zinc/23/41/78/1388234178.db2.gz ZUIQKAJVJGXLPG-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM CCOc1ccc(C(=O)[O-])cc1Nc1cc(OC)c(OC)cc1C#N ZINC001214274797 1373035989 /nfs/dbraw/zinc/03/59/89/1373035989.db2.gz JFVCEJLYVDGIGD-UHFFFAOYSA-N -1 0 342.351 3.416 20 30 EGEDRM CSc1nn(-c2c(Cl)cc(C(=O)[O-])cc2Cl)c(N)c1C#N ZINC001214512388 1373071573 /nfs/dbraw/zinc/07/15/73/1373071573.db2.gz ZGLMYPCBMIJISD-UHFFFAOYSA-N -1 0 343.195 3.053 20 30 EGEDRM C[Si](C)(C)C#Cc1ncccc1Nc1cc(C(=O)[O-])cnc1F ZINC001215119665 1373173142 /nfs/dbraw/zinc/17/31/42/1373173142.db2.gz FIWKFDDHTDYAPG-UHFFFAOYSA-N -1 0 329.407 3.286 20 30 EGEDRM C=CCOC(=O)c1ccc(Nc2cc(C(=O)[O-])cnc2F)c(F)c1 ZINC001215129968 1373175090 /nfs/dbraw/zinc/17/50/90/1373175090.db2.gz IOLUJEGVHXQYDE-UHFFFAOYSA-N -1 0 334.278 3.144 20 30 EGEDRM N#Cc1cc(OC(F)(F)F)ccc1Nc1cc(C(=O)[O-])cnc1F ZINC001215136148 1373176682 /nfs/dbraw/zinc/17/66/82/1373176682.db2.gz ZBNBAVCHHQTXDP-UHFFFAOYSA-N -1 0 341.220 3.433 20 30 EGEDRM N#Cc1ccc(F)c(-c2noc(-c3cc([O-])cc([N+](=O)[O-])c3)n2)c1 ZINC001216924883 1373365575 /nfs/dbraw/zinc/36/55/75/1373365575.db2.gz XAPNXGILJJNNFK-UHFFFAOYSA-N -1 0 326.243 3.028 20 30 EGEDRM COc1ccccc1-c1noc(-c2cc(=O)c3cccc(C#N)c3[n-]2)n1 ZINC001217504095 1373455962 /nfs/dbraw/zinc/45/59/62/1373455962.db2.gz ZNDWCHHSXLUJQY-UHFFFAOYSA-N -1 0 344.330 3.125 20 30 EGEDRM C#C[C@H](COc1cccc(Cl)c1)Oc1cccc([O-])c1[N+](=O)[O-] ZINC001225624431 1375134366 /nfs/dbraw/zinc/13/43/66/1375134366.db2.gz BZFYINUICUTDLC-GFCCVEGCSA-N -1 0 333.727 3.413 20 30 EGEDRM C[C@H](Oc1[n-]c(=O)c(F)cc1C#N)c1ccc(Br)nc1 ZINC001226008021 1375189532 /nfs/dbraw/zinc/18/95/32/1375189532.db2.gz CPZYCSKTXWRDJR-ZETCQYMHSA-N -1 0 338.136 3.095 20 30 EGEDRM C=CC[C@@H](NC(=O)[C@H](C)Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001327013011 1388364886 /nfs/dbraw/zinc/36/48/86/1388364886.db2.gz HEPSFEFICNMNTM-ZWNOBZJWSA-N -1 0 329.318 3.030 20 30 EGEDRM C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ccc(CCCCC)cc1 ZINC001226391199 1375251837 /nfs/dbraw/zinc/25/18/37/1375251837.db2.gz PBVHXCOFDZCXPH-QGZVFWFLSA-N -1 0 342.457 3.257 20 30 EGEDRM C#CC[C@@H](CC)Oc1cc([O-])c(Br)cc1C(=O)OC ZINC001227360720 1375422007 /nfs/dbraw/zinc/42/20/07/1375422007.db2.gz YPICALSGMSVEQF-SECBINFHSA-N -1 0 327.174 3.122 20 30 EGEDRM CC[C@@H](C#Cc1ccccc1)Oc1ccc(-n2nn[n-]c2=S)cc1 ZINC001228439967 1375573128 /nfs/dbraw/zinc/57/31/28/1375573128.db2.gz CTPNNRBPYBGZFN-INIZCTEOSA-N -1 0 336.420 3.160 20 30 EGEDRM C[C@@H]1CN(C(=O)OC(C)(C)C)CCC[C@@H]1Oc1[n-]c(=O)ccc1C#N ZINC001228898820 1375708394 /nfs/dbraw/zinc/70/83/94/1375708394.db2.gz MINHCVOFHGRCQI-OCCSQVGLSA-N -1 0 347.415 3.073 20 30 EGEDRM CC(C)C(=O)OCC(C)(C)[C@@H](Oc1[n-]c(=O)ccc1C#N)C(C)C ZINC001228902058 1375710458 /nfs/dbraw/zinc/71/04/58/1375710458.db2.gz PCRXOTCKRJNBCL-HNNXBMFYSA-N -1 0 334.416 3.288 20 30 EGEDRM CC(C)C(=O)OCC(C)(C)[C@H](Oc1[n-]c(=O)ccc1C#N)C(C)C ZINC001228902059 1375710514 /nfs/dbraw/zinc/71/05/14/1375710514.db2.gz PCRXOTCKRJNBCL-OAHLLOKOSA-N -1 0 334.416 3.288 20 30 EGEDRM Cc1cc([S-])ccc1O[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC001229634749 1375870232 /nfs/dbraw/zinc/87/02/32/1375870232.db2.gz LZENQVYILFUIOW-IUODEOHRSA-N -1 0 334.441 3.422 20 30 EGEDRM C[C@@H](Oc1ncc(I)cc1C#N)C1=CC=C[CH]1 ZINC001229885635 1375911728 /nfs/dbraw/zinc/91/17/28/1375911728.db2.gz MQUNYMIISCAWJL-SECBINFHSA-N -1 0 337.140 3.026 20 30 EGEDRM N#C[C@H]1CCCN(Cc2cc(F)c([O-])c(Br)c2)CC1 ZINC001232633143 1376492908 /nfs/dbraw/zinc/49/29/08/1376492908.db2.gz GANLSNYKFUCKPA-JTQLQIEISA-N -1 0 327.197 3.419 20 30 EGEDRM CCCCCCC[C@@H](C)OC1=C([O-])C(C(=O)OC)N=C1C(=O)OC ZINC001234350274 1376814631 /nfs/dbraw/zinc/81/46/31/1376814631.db2.gz GRYASEJDAFKAML-LLVKDONJSA-N -1 0 341.404 3.421 20 30 EGEDRM N#Cc1cc(C(F)(F)F)ccc1-c1cccc(S(=O)(=O)[O-])c1 ZINC001238846314 1377002638 /nfs/dbraw/zinc/00/26/38/1377002638.db2.gz ZMBUYCKKPGDDKC-UHFFFAOYSA-N -1 0 327.283 3.491 20 30 EGEDRM C=C[C@@H]1C[C@@]1(NC(=S)[N-]c1ccccc1SC)C(=O)OCC ZINC001249713874 1377078221 /nfs/dbraw/zinc/07/82/21/1377078221.db2.gz ZZFFSEWOQSAORT-BZNIZROVSA-N -1 0 336.482 3.203 20 30 EGEDRM N#Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC001259090704 1377121247 /nfs/dbraw/zinc/12/12/47/1377121247.db2.gz PXXMNFVOWMNTLC-UHFFFAOYSA-N -1 0 328.727 3.291 20 30 EGEDRM CC(=O)c1cccc(S(=O)(=O)[N-]c2cc(F)c(C)cc2C#N)c1 ZINC001189239143 1388492583 /nfs/dbraw/zinc/49/25/83/1388492583.db2.gz LWEWYFKGXQYNHS-UHFFFAOYSA-N -1 0 332.356 3.009 20 30 EGEDRM CC1N=NC(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)=C1[O-] ZINC001136712272 1377416958 /nfs/dbraw/zinc/41/69/58/1377416958.db2.gz XADISFNIZPQSAQ-UHFFFAOYSA-N -1 0 334.335 3.340 20 30 EGEDRM C#CCN(C)Cc1cnc(CCCC)n1Cc1ccc(C(=O)[O-])cc1 ZINC001143751963 1378642383 /nfs/dbraw/zinc/64/23/83/1378642383.db2.gz CYCQRVIBJWGJJF-UHFFFAOYSA-N -1 0 339.439 3.037 20 30 EGEDRM CCSc1ccc(Cl)cc1C(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC001143815166 1378649604 /nfs/dbraw/zinc/64/96/04/1378649604.db2.gz OPRQABWYIXYETG-UHFFFAOYSA-N -1 0 331.788 3.171 20 30 EGEDRM N#Cc1ccc(NC(=O)c2cc(=O)c3cc(Cl)ccc3[n-]2)c(C#N)c1 ZINC001153905691 1380153493 /nfs/dbraw/zinc/15/34/93/1380153493.db2.gz HIZNWWXPJCNILH-UHFFFAOYSA-N -1 0 348.749 3.177 20 30 EGEDRM COC(=O)c1cc(C(=O)[N-]c2ccccc2S[C@H](C)CC#N)on1 ZINC001293360712 1382276579 /nfs/dbraw/zinc/27/65/79/1382276579.db2.gz BTQGWEJJPLZBCC-SNVBAGLBSA-N -1 0 345.380 3.108 20 30 EGEDRM C=C(C)CNc1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2)cn1 ZINC001163376133 1383036583 /nfs/dbraw/zinc/03/65/83/1383036583.db2.gz SJODPLYLBSVXNU-UHFFFAOYSA-N -1 0 339.367 3.149 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2cccc(NCC(F)(F)F)c2)cc1[O-] ZINC001297034732 1383107571 /nfs/dbraw/zinc/10/75/71/1383107571.db2.gz LQJPSYNUVMLDFU-UHFFFAOYSA-N -1 0 335.285 3.490 20 30 EGEDRM CCS(=O)(=O)c1ccc([O-])c(Nc2ccc(Cl)c(C#N)c2)c1 ZINC001174403755 1385105846 /nfs/dbraw/zinc/10/58/46/1385105846.db2.gz WICNXPKNZWPEGE-UHFFFAOYSA-N -1 0 336.800 3.454 20 30 EGEDRM COC(=O)c1sc(Nc2ccc(CC(=O)[O-])cc2)c(C#N)c1C ZINC001174949262 1385173595 /nfs/dbraw/zinc/17/35/95/1385173595.db2.gz HUGDQUFXXNTKMD-UHFFFAOYSA-N -1 0 330.365 3.086 20 30 EGEDRM N#Cc1ccc(Nc2ccc(CC(=O)[O-])cc2)c(Br)n1 ZINC001174950451 1385173776 /nfs/dbraw/zinc/17/37/76/1385173776.db2.gz XNCHWKMGCZKQAO-UHFFFAOYSA-N -1 0 332.157 3.086 20 30 EGEDRM N#Cc1c(F)c(Br)ccc1Nc1cncc(C(=O)[O-])c1 ZINC001175842383 1385419842 /nfs/dbraw/zinc/41/98/42/1385419842.db2.gz DJSWICKEZZSKNV-UHFFFAOYSA-N -1 0 336.120 3.297 20 30 EGEDRM CC(C)C[C@@H](C)n1nccc1[N-]S(=O)(=O)c1ccc(CC#N)cc1 ZINC001318968836 1385902271 /nfs/dbraw/zinc/90/22/71/1385902271.db2.gz OAZQVPPARADURM-CQSZACIVSA-N -1 0 346.456 3.357 20 30 EGEDRM C[C@H]1CCc2nc([N-]S(=O)(=O)c3ccc(CC#N)cc3)sc2C1 ZINC001319352788 1386074992 /nfs/dbraw/zinc/07/49/92/1386074992.db2.gz IVWYUQZEECRWSU-NSHDSACASA-N -1 0 347.465 3.135 20 30 EGEDRM COC(=O)c1cccc(/C=C2\CCc3oc(C(=O)[O-])c(C)c3C2=O)c1 ZINC001319641291 1386225453 /nfs/dbraw/zinc/22/54/53/1386225453.db2.gz XMZSBCZDQJUVMP-XYOKQWHBSA-N -1 0 340.331 3.285 20 30 EGEDRM C#Cc1cccc([N-]S(=O)(=O)c2cnc(Cl)cc2Cl)c1 ZINC001319933395 1386400541 /nfs/dbraw/zinc/40/05/41/1386400541.db2.gz RGDKZTGIYGQYMD-UHFFFAOYSA-N -1 0 327.192 3.171 20 30 EGEDRM COc1ccccc1-c1[nH]nc(NC(=O)c2ccc(C#N)c([O-])c2)c1C ZINC001180896414 1386892788 /nfs/dbraw/zinc/89/27/88/1386892788.db2.gz JSNDIIDORKOINE-UHFFFAOYSA-N -1 0 348.362 3.223 20 30 EGEDRM C=CC[C@@H](NC(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3)C(=O)[O-] ZINC001322600768 1387211784 /nfs/dbraw/zinc/21/17/84/1387211784.db2.gz IEBJFYAMGXWGPM-PIGZYNQJSA-N -1 0 326.396 3.052 20 30 EGEDRM C=CCn1c(-c2c[nH]oc2=O)nnc1N1CCC[C@@H]1c1ccsc1 ZINC001339014958 1389859111 /nfs/dbraw/zinc/85/91/11/1389859111.db2.gz OBSNFRNFEUQTRT-CYBMUJFWSA-N -1 0 343.412 3.228 20 30 EGEDRM N#CC(=C([O-])c1cccc2c[nH]nc21)c1nccn1Cc1ccccc1 ZINC001343980599 1390748047 /nfs/dbraw/zinc/74/80/47/1390748047.db2.gz XTGHSCKEPGHMNP-QGZVFWFLSA-N -1 0 341.374 3.298 20 30 EGEDRM C=CC[C@@H](NC(=O)CCc1ncc(-c2ccccc2Cl)o1)C(=O)[O-] ZINC001344553465 1390799229 /nfs/dbraw/zinc/79/92/29/1390799229.db2.gz SQJVSRJHIXVTJL-CYBMUJFWSA-N -1 0 348.786 3.073 20 30 EGEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1cccc2c1OCC2)c1ccccc1 ZINC001344580537 1390800950 /nfs/dbraw/zinc/80/09/50/1390800950.db2.gz RZOOMRWREDPUJA-MSOLQXFVSA-N -1 0 348.402 3.211 20 30 EGEDRM C=C(C)Cn1c(-c2c[n-]n(CC)c2=O)nnc1N1C[C@@H](C)C[C@H]1CC ZINC001346670733 1390968417 /nfs/dbraw/zinc/96/84/17/1390968417.db2.gz NXXFZUJEPIZGSK-UONOGXRCSA-N -1 0 344.463 3.068 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)O[C@H](C)c2ccccc2F)cc1C#N ZINC001354873357 1392174092 /nfs/dbraw/zinc/17/40/92/1392174092.db2.gz QKLTZOHWJSKWED-SECBINFHSA-N -1 0 332.356 3.438 20 30 EGEDRM Cc1ccc(F)c(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000826289119 1428743579 /nfs/dbraw/zinc/74/35/79/1428743579.db2.gz LCRRRIWOTFGNKU-QPJJXVBHSA-N -1 0 326.306 3.349 20 30 EGEDRM O=C(C=Cc1nc2c(s1)CCCC2)c1ccc(-c2nn[n-]n2)cc1 ZINC000826403477 1429131320 /nfs/dbraw/zinc/13/13/20/1429131320.db2.gz TXBHBYCZSBHYTR-MDZDMXLPSA-N -1 0 337.408 3.098 20 30 EGEDRM C#CCOc1ccccc1CNc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000735388318 1429541485 /nfs/dbraw/zinc/54/14/85/1429541485.db2.gz YKVPNDZRHMWYLG-UHFFFAOYSA-N -1 0 339.786 3.144 20 30 EGEDRM CCCCCCCCOCC(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000736449301 1429694912 /nfs/dbraw/zinc/69/49/12/1429694912.db2.gz VAVMKBFNXPGXGP-UHFFFAOYSA-N -1 0 345.447 3.491 20 30 EGEDRM C=CCc1cc([N+](=O)[O-])ccc1OCc1ccccc1-c1nn[n-]n1 ZINC000735442829 1424172666 /nfs/dbraw/zinc/17/26/66/1424172666.db2.gz KJYQFPPJNIDUEI-UHFFFAOYSA-N -1 0 337.339 3.082 20 30 EGEDRM C=C[C@@H](CC(=O)N1CCc2ccc(-c3nn[n-]n3)cc21)c1ccccc1 ZINC000823883518 1429739589 /nfs/dbraw/zinc/73/95/89/1429739589.db2.gz SEEOZSAJOWOESM-AWEZNQCLSA-N -1 0 345.406 3.116 20 30 EGEDRM N#Cc1cc([N+](=O)[O-])ccc1Oc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822823765 1426207457 /nfs/dbraw/zinc/20/74/57/1426207457.db2.gz YVVAZFQFMGWZJC-UHFFFAOYSA-N -1 0 342.702 3.092 20 30 EGEDRM CSc1ccc(C(C)=NNCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821978254 1426790443 /nfs/dbraw/zinc/79/04/43/1426790443.db2.gz KPIKDBVKEDIRLH-UHFFFAOYSA-N -1 0 338.440 3.102 20 30 EGEDRM C=C(C)[C@H](CC(=O)Nc1sc(C)c(CC)c1-c1nn[n-]n1)OCC ZINC000823874418 1426878350 /nfs/dbraw/zinc/87/83/50/1426878350.db2.gz WKBIYGRSDKVJAF-LBPRGKRZSA-N -1 0 349.460 3.109 20 30 EGEDRM O=C1c2cc(F)cc(F)c2CC1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826476054 1427257042 /nfs/dbraw/zinc/25/70/42/1427257042.db2.gz ZTWDQUKPJOOACR-OQFOIZHKSA-N -1 0 342.280 3.106 20 30 EGEDRM CC(=NNc1cccc(-c2nn[n-]n2)c1)c1cc(F)c(F)c(F)c1 ZINC000735450860 1427597313 /nfs/dbraw/zinc/59/73/13/1427597313.db2.gz GXFCUFKIEADFQU-UHFFFAOYSA-N -1 0 332.289 3.120 20 30 EGEDRM N#CCC[C@H](NCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000826381675 1427708802 /nfs/dbraw/zinc/70/88/02/1427708802.db2.gz UQLMFRKHNHCCPK-KRWDZBQOSA-N -1 0 336.374 3.140 20 30 EGEDRM Fc1cc(F)cc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000826372516 1430027538 /nfs/dbraw/zinc/02/75/38/1430027538.db2.gz AESYKPLZVDAUBV-UHFFFAOYSA-N -1 0 334.717 3.244 20 30 EGEDRM CCCCCC[C@@H](C)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000736444120 1441937837 /nfs/dbraw/zinc/93/78/37/1441937837.db2.gz DBBFHHPQYJQOTF-GFCCVEGCSA-N -1 0 326.404 3.283 20 30 EGEDRM C[C@@H]([NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccc(C#N)c(F)c1 ZINC000824532456 1442253045 /nfs/dbraw/zinc/25/30/45/1442253045.db2.gz UOGBJTIKLUXVNQ-NWDGAFQWSA-N -1 0 336.374 3.289 20 30 EGEDRM CCOc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000825637970 1442294630 /nfs/dbraw/zinc/29/46/30/1442294630.db2.gz DJOZLLYXLIKZPH-BJMVGYQFSA-N -1 0 338.342 3.301 20 30 EGEDRM C[C@H](CCC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1ccccc1 ZINC000824401540 1442465522 /nfs/dbraw/zinc/46/55/22/1442465522.db2.gz PYBQCWFZBVUJRT-CYBMUJFWSA-N -1 0 346.394 3.261 20 30 EGEDRM CCO[C@H]1CC(N=Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C12CCC2 ZINC000825576837 1443093292 /nfs/dbraw/zinc/09/32/92/1443093292.db2.gz OLCGGGZMIKKQPT-AWEZNQCLSA-N -1 0 346.822 3.267 20 30 EGEDRM Cc1ccnc(N(Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)c1C#N ZINC000826309708 1443236654 /nfs/dbraw/zinc/23/66/54/1443236654.db2.gz YVTJTZVQKUBPLA-UHFFFAOYSA-N -1 0 347.426 3.104 20 30 EGEDRM O=C(C=Cc1cccc2cnccc12)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826400599 1443245161 /nfs/dbraw/zinc/24/51/61/1443245161.db2.gz CCZKOMXMBLEOHE-FNORWQNLSA-N -1 0 345.337 3.450 20 30 EGEDRM C=CCOCCCC(=O)Nc1cc(C(C)(C)C)sc1-c1nn[n-]n1 ZINC000823925538 1443616036 /nfs/dbraw/zinc/61/60/36/1443616036.db2.gz LNLJKZXEULEQKE-UHFFFAOYSA-N -1 0 349.460 3.147 20 30 EGEDRM CC(=NNc1ccccc1Cl)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823963217 1443666800 /nfs/dbraw/zinc/66/68/00/1443666800.db2.gz YCZNJCAKZZNSBC-UHFFFAOYSA-N -1 0 330.754 3.495 20 30 EGEDRM Fc1cccc(OCC#Cc2ccccc2Cl)c1-c1nn[n-]n1 ZINC000826377521 1443938093 /nfs/dbraw/zinc/93/80/93/1443938093.db2.gz VNYRRQHKNYNNKH-UHFFFAOYSA-N -1 0 328.734 3.090 20 30 EGEDRM Cc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)cc(C)c1O ZINC000826266258 1446313127 /nfs/dbraw/zinc/31/31/27/1446313127.db2.gz IVHMWQWFSHZSIF-UTCJRWHESA-N -1 0 338.342 3.224 20 30 EGEDRM N#CCOc1ccc(CNc2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC000737697765 1446411097 /nfs/dbraw/zinc/41/10/97/1446411097.db2.gz MSHMQLPXSGHFSN-UHFFFAOYSA-N -1 0 340.774 3.035 20 30 EGEDRM O=C1c2cc(Cl)ccc2CC1=Cc1cc(-c2nnn[n-]2)cs1 ZINC000826476027 1446574943 /nfs/dbraw/zinc/57/49/43/1446574943.db2.gz ZFJXZSYCDDSBEL-RUDMXATFSA-N -1 0 328.784 3.404 20 30 EGEDRM O=C1C(=Cc2ccc(-c3nn[n-]n3)s2)CSc2ccccc21 ZINC000823504287 1446595951 /nfs/dbraw/zinc/59/59/51/1446595951.db2.gz OQEMBNILCKRZDF-VQHVLOKHSA-N -1 0 326.406 3.300 20 30 EGEDRM CCCCCCCCC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736448566 1446962205 /nfs/dbraw/zinc/96/22/05/1446962205.db2.gz MWHTVABAHAEHMM-UHFFFAOYSA-N -1 0 333.411 3.373 20 30 EGEDRM C=CCCO[C@H](C)C(=O)N[C@@H](C(=O)[O-])c1cccc2ccccc21 ZINC000910939387 939762679 /nfs/dbraw/zinc/76/26/79/939762679.db2.gz ZDQKJQLGHZZYQV-CXAGYDPISA-N -1 0 327.380 3.063 20 30 EGEDRM N#CCSc1ccccc1C(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC000324453910 971121410 /nfs/dbraw/zinc/12/14/10/971121410.db2.gz ZNJUBERVXSLUFL-UHFFFAOYSA-N -1 0 346.452 3.457 20 30 EGEDRM C#CCN(C(=O)Cc1ccccc1C(=O)[O-])[C@@H]1CCCc2ccccc21 ZINC001602675711 971253107 /nfs/dbraw/zinc/25/31/07/971253107.db2.gz KCIYITSXOBJBEL-HXUWFJFHSA-N -1 0 347.414 3.467 20 30 EGEDRM C#CCOCCC(=O)Nc1scc(-c2ccsc2)c1C(=O)[O-] ZINC001602701869 971327243 /nfs/dbraw/zinc/32/72/43/971327243.db2.gz AJHZICIFCFENRG-UHFFFAOYSA-N -1 0 335.406 3.153 20 30 EGEDRM C=CCOc1cccc(NC(=O)NCc2ccccc2C(=O)[O-])c1 ZINC001602728764 971396038 /nfs/dbraw/zinc/39/60/38/971396038.db2.gz CIJBDBGKZKHSMA-UHFFFAOYSA-N -1 0 326.352 3.271 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)OCc1ccc(-c2cccs2)cc1 ZINC001602782094 971528628 /nfs/dbraw/zinc/52/86/28/971528628.db2.gz PFRHUDBXRBUENV-KRWDZBQOSA-N -1 0 329.377 3.463 20 30 EGEDRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2ccc(C#N)cc2C2CC2)C1 ZINC001589271366 953407370 /nfs/dbraw/zinc/40/73/70/953407370.db2.gz AKVOSHCSQXZICA-FZMZJTMJSA-N -1 0 327.384 3.010 20 30 EGEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21 ZINC001589079919 955845886 /nfs/dbraw/zinc/84/58/86/955845886.db2.gz ZODSHLUHMLNCQD-RDTXWAMCSA-N -1 0 348.402 3.342 20 30 EGEDRM N#C[C@@H](CCc1ccccc1)C(=O)NC1(C(=O)[O-])CCCCCC1 ZINC001594601626 956137831 /nfs/dbraw/zinc/13/78/31/956137831.db2.gz OZPKIQVQAOTJOR-MRXNPFEDSA-N -1 0 328.412 3.053 20 30 EGEDRM N#CCOc1cc(F)ccc1NC(=O)C1(C(=O)[O-])CCCCCC1 ZINC001594609740 956194101 /nfs/dbraw/zinc/19/41/01/956194101.db2.gz JOOFULRUTFZLOZ-UHFFFAOYSA-N -1 0 334.347 3.092 20 30 EGEDRM N#Cc1ccc(N(C(=O)/C=C/c2ccc(C(=O)[O-])o2)C2CCC2)cc1 ZINC001594621428 956285899 /nfs/dbraw/zinc/28/58/99/956285899.db2.gz LXNZWTKBUPAAGW-PKNBQFBNSA-N -1 0 336.347 3.448 20 30 EGEDRM CC(C)c1ccc(C[C@@H]2CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C2)cc1 ZINC001603100616 972176805 /nfs/dbraw/zinc/17/68/05/972176805.db2.gz XIOWVSLZFFSGHP-OXJNMPFZSA-N -1 0 342.439 3.206 20 30 EGEDRM N#Cc1ccccc1Oc1ccccc1COC(=O)CCC(=O)[O-] ZINC001594632010 956347865 /nfs/dbraw/zinc/34/78/65/956347865.db2.gz OXRITVXMCXQZDL-UHFFFAOYSA-N -1 0 325.320 3.259 20 30 EGEDRM CC(C)C[C@H](CNC(=O)N(C)[C@@H](C)c1cccc(C#N)c1)CC(=O)[O-] ZINC001263070820 957289034 /nfs/dbraw/zinc/28/90/34/957289034.db2.gz JISIYHBXZVVQIL-HOCLYGCPSA-N -1 0 345.443 3.398 20 30 EGEDRM Cc1cc(F)c(C#N)cc1NC(=O)N[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001594310528 958009126 /nfs/dbraw/zinc/00/91/26/958009126.db2.gz HQUGRYWPLCHKCA-HNNXBMFYSA-N -1 0 345.305 3.092 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)N[C@@H]1CCC(C)(C)C[C@@H]1c1ccccc1 ZINC001588410670 958142786 /nfs/dbraw/zinc/14/27/86/958142786.db2.gz XVKKOSFREPJSAY-IAGOWNOFSA-N -1 0 342.439 3.078 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)Nc1ccc(Oc2ccc(F)cc2)cc1 ZINC001588412865 958153337 /nfs/dbraw/zinc/15/33/37/958153337.db2.gz LAULMZLWJMINQU-UHFFFAOYSA-N -1 0 342.326 3.170 20 30 EGEDRM C[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])C1(c2ccccc2)CCCC1 ZINC001603216687 972331359 /nfs/dbraw/zinc/33/13/59/972331359.db2.gz VHWIVOHVDZLVIA-KBXCAEBGSA-N -1 0 328.412 3.008 20 30 EGEDRM Cc1ccc(C#N)cc1NC(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC001594342815 958309710 /nfs/dbraw/zinc/30/97/10/958309710.db2.gz WYSGPJKPVDAAPM-IBGZPJMESA-N -1 0 337.379 3.031 20 30 EGEDRM C=C(C)COc1cccc(NC(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C)c1 ZINC001588443530 958354686 /nfs/dbraw/zinc/35/46/86/958354686.db2.gz SNUNVQGHCJYZII-UONOGXRCSA-N -1 0 332.400 3.359 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)c1ccc(-c2ccc(Cl)cc2)s1 ZINC001573320318 958476922 /nfs/dbraw/zinc/47/69/22/958476922.db2.gz KRVWVZABAWWEEZ-UHFFFAOYSA-N -1 0 333.796 3.229 20 30 EGEDRM C=CC[S@@](=O)(=NC(=O)c1coc(/C=C\C(=O)[O-])c1)c1ccccc1 ZINC001588469668 958518882 /nfs/dbraw/zinc/51/88/82/958518882.db2.gz STCZVMYUUOUNHS-HMLKYZKVSA-N -1 0 345.376 3.231 20 30 EGEDRM C=CCn1c(S[C@@H](CC(C)C)C(=O)[O-])nnc1-c1ccccn1 ZINC001588472029 958538907 /nfs/dbraw/zinc/53/89/07/958538907.db2.gz IGCWITVKQCJYFT-ZDUSSCGKSA-N -1 0 332.429 3.118 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NCc1ccc(C2CCCCC2)cc1 ZINC001588558391 959085738 /nfs/dbraw/zinc/08/57/38/959085738.db2.gz RVZWSQAKVUEKBJ-LJQANCHMSA-N -1 0 328.412 3.355 20 30 EGEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-] ZINC001573608686 959469105 /nfs/dbraw/zinc/46/91/05/959469105.db2.gz WLJUMTFLYYSNAV-CZUORRHYSA-N -1 0 330.428 3.133 20 30 EGEDRM CC(C)(C)CC[C@H](Nc1cc(C#N)c(Br)cn1)C(=O)[O-] ZINC001588652773 959781949 /nfs/dbraw/zinc/78/19/49/959781949.db2.gz FVYFBENMZYSHEC-NSHDSACASA-N -1 0 340.221 3.407 20 30 EGEDRM CN(C)c1ccc(/C=C\C(=O)c2ccc(OCC(=O)[O-])cc2)cc1 ZINC000219862917 959796803 /nfs/dbraw/zinc/79/68/03/959796803.db2.gz MWCKZHWKKCJREF-XGICHPGQSA-N -1 0 325.364 3.112 20 30 EGEDRM CC(C)(C)CN(CCC#N)Cc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1 ZINC001588656776 960412540 /nfs/dbraw/zinc/41/25/40/960412540.db2.gz BPDICSSPLIWHLG-OAHLLOKOSA-N -1 0 347.459 3.342 20 30 EGEDRM N#CC[C@@H](CC(=O)N[C@@H](C(=O)[O-])c1ccc(F)cc1)c1ccccc1 ZINC001574481087 961669651 /nfs/dbraw/zinc/66/96/51/961669651.db2.gz UQADVYGIFSDLMG-MAUKXSAKSA-N -1 0 340.354 3.155 20 30 EGEDRM CC(C)C[C@@H](NC(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1)C(=O)[O-] ZINC001588884148 962163598 /nfs/dbraw/zinc/16/35/98/962163598.db2.gz AZTUUOSUVLETQR-CQSZACIVSA-N -1 0 347.415 3.356 20 30 EGEDRM C=CCOC[C@@H](NC(=O)C[C@H](C)c1ccc(C(C)C)cc1)C(=O)[O-] ZINC000263113183 962266062 /nfs/dbraw/zinc/26/60/62/962266062.db2.gz UVEQFDMOKQLRTB-WMLDXEAASA-N -1 0 333.428 3.076 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)c1cc(F)c(C(F)(F)F)c(F)c1)C(=O)[O-] ZINC001573322183 962765462 /nfs/dbraw/zinc/76/54/62/962765462.db2.gz VGHOULOOKJMMDL-SNVBAGLBSA-N -1 0 337.244 3.133 20 30 EGEDRM C#CCOc1cc(F)ccc1NC(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC001573327170 962806501 /nfs/dbraw/zinc/80/65/01/962806501.db2.gz HFZIEXVZJVSVTR-UHFFFAOYSA-N -1 0 327.311 3.097 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1n[nH]c(C2CC2)c1-c1ccccc1 ZINC001573336734 962859939 /nfs/dbraw/zinc/85/99/39/962859939.db2.gz FSSWCRMLDQYGSL-UHFFFAOYSA-N -1 0 325.368 3.314 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(COC)c(C(F)(F)F)c1 ZINC001573337243 962863768 /nfs/dbraw/zinc/86/37/68/962863768.db2.gz LRTKCQANSVUESV-UHFFFAOYSA-N -1 0 331.290 3.211 20 30 EGEDRM C=C(Cl)C[C@@H](NCc1ccc(C(=O)[O-])c(Cl)c1)C(=O)OCC ZINC001573339836 962897043 /nfs/dbraw/zinc/89/70/43/962897043.db2.gz YIFSIQDCLKMKPN-CYBMUJFWSA-N -1 0 346.210 3.202 20 30 EGEDRM C=CC(C)(C)CCCNC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001573348680 962960987 /nfs/dbraw/zinc/96/09/87/962960987.db2.gz ZMCGAIMONWVNLR-INIZCTEOSA-N -1 0 330.428 3.372 20 30 EGEDRM C=CCC[C@H]1CCCN1S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001573357012 963012133 /nfs/dbraw/zinc/01/21/33/963012133.db2.gz IRRVOOODSOWDTI-LBPRGKRZSA-N -1 0 343.832 3.158 20 30 EGEDRM C=C(C)[C@H](NC(=O)c1ccc(C(=O)[O-])cn1)c1ccc(F)c(F)c1 ZINC001588442972 964060302 /nfs/dbraw/zinc/06/03/02/964060302.db2.gz VZIBRNNHLHUAIY-HNNXBMFYSA-N -1 0 332.306 3.105 20 30 EGEDRM CCCCCCCCC(=O)N1C[C@@H](c2cnn(C)c2)C[C@H](C(=O)[O-])C1 ZINC000868452068 969340825 /nfs/dbraw/zinc/34/08/25/969340825.db2.gz SKVNYHMIYUXLMV-HOTGVXAUSA-N -1 0 349.475 3.187 20 30 EGEDRM C#CC[C@@H](NC(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1ccccc1 ZINC001263062748 969694361 /nfs/dbraw/zinc/69/43/61/969694361.db2.gz CLOITABEJIACQF-DOTOQJQBSA-N -1 0 328.412 3.037 20 30 EGEDRM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCCCCCC(=O)[O-] ZINC001341255044 969748234 /nfs/dbraw/zinc/74/82/34/969748234.db2.gz GCXKIODWSRIDIC-UHFFFAOYSA-N -1 0 345.443 3.371 20 30 EGEDRM O=C([O-])c1cncc(NC(=O)c2ccc(C#Cc3ccccc3)cc2)c1 ZINC001606544785 970307688 /nfs/dbraw/zinc/30/76/88/970307688.db2.gz HFWWQRPJVGVVTB-UHFFFAOYSA-N -1 0 342.354 3.432 20 30 EGEDRM CC(C)(c1ccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])cc1)C(F)(F)F ZINC001609692952 970451348 /nfs/dbraw/zinc/45/13/48/970451348.db2.gz HWIZMULSDJLUSA-HNNXBMFYSA-N -1 0 342.317 3.470 20 30 EGEDRM CC[C@H](C)[C@H](NC(=O)c1cn(CCCC#N)c2ccccc12)C(=O)[O-] ZINC001610052643 970646640 /nfs/dbraw/zinc/64/66/40/970646640.db2.gz VOMIKMMDNBSHSH-GUYCJALGSA-N -1 0 341.411 3.174 20 30 EGEDRM Cc1c(Cl)cccc1N=C1SCCN1C(=O)CCC(=O)[O-] ZINC001605081337 972713787 /nfs/dbraw/zinc/71/37/87/972713787.db2.gz BLBGPZZEYVMKAK-UHFFFAOYSA-N -1 0 326.805 3.076 20 30 EGEDRM N#CCn1c(C(=O)Nc2cccc(CCC(=O)[O-])c2)cc2ccccc21 ZINC001605601576 973904617 /nfs/dbraw/zinc/90/46/17/973904617.db2.gz TZQDVOUTQLPUKK-UHFFFAOYSA-N -1 0 347.374 3.434 20 30 EGEDRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)c1sccc1C#N ZINC001591771732 975898078 /nfs/dbraw/zinc/89/80/78/975898078.db2.gz CKIHOOMEZMTTGF-UHFFFAOYSA-N -1 0 330.365 3.357 20 30 EGEDRM CC(C)Oc1ccc(C(=O)OCc2cccc(C(=O)[O-])c2C#N)cc1 ZINC001591772634 975906338 /nfs/dbraw/zinc/90/63/38/975906338.db2.gz HGICKUGRHOSQQL-UHFFFAOYSA-N -1 0 339.347 3.401 20 30 EGEDRM CC(C)Sc1ccccc1C(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001591829427 976091119 /nfs/dbraw/zinc/09/11/19/976091119.db2.gz LYZBNOGSPXOCPP-UHFFFAOYSA-N -1 0 332.425 3.018 20 30 EGEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CC=C(C(=O)[O-])C1 ZINC001592225749 977412672 /nfs/dbraw/zinc/41/26/72/977412672.db2.gz MSIIQTICJUXWJW-DGCLKSJQSA-N -1 0 345.424 3.376 20 30 EGEDRM C[C@@H](CN(Cc1ccccc1)C(=O)c1ccc(F)c(C#N)c1)C(=O)[O-] ZINC001592604827 978547769 /nfs/dbraw/zinc/54/77/69/978547769.db2.gz DLYJFDSUAWDKGJ-ZDUSSCGKSA-N -1 0 340.354 3.060 20 30 EGEDRM CCC(N=Nc1ccc(C(=O)[O-])cn1)c1ccc2c(c1)CCCO2 ZINC000765584535 978723837 /nfs/dbraw/zinc/72/38/37/978723837.db2.gz POHHBXZRLVKSKR-UHFFFAOYSA-N -1 0 325.368 3.331 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1N=NCC[C@H]1CCCCC12OCCO2 ZINC000788722320 978797498 /nfs/dbraw/zinc/79/74/98/978797498.db2.gz OSCSUKHKQHBDQT-CQSZACIVSA-N -1 0 348.399 3.115 20 30 EGEDRM COc1ccc([C@H](C)C(C)N=Nc2ccc(C(=O)[O-])cn2)cc1OC ZINC000794526681 978813070 /nfs/dbraw/zinc/81/30/70/978813070.db2.gz UKIHLIGNVFODEL-LLVKDONJSA-N -1 0 343.383 3.389 20 30 EGEDRM O=C([O-])Cn1cc(CN=Nc2cnc3ccccc3n2)c2ccccc21 ZINC000799878781 978843176 /nfs/dbraw/zinc/84/31/76/978843176.db2.gz XOROMKKMUAWQAX-UHFFFAOYSA-N -1 0 345.362 3.115 20 30 EGEDRM C[C@@H](Oc1ccc(/C=C2/Cc3ccc(C#N)cc3C2=O)cc1)C(=O)[O-] ZINC000811696610 978854845 /nfs/dbraw/zinc/85/48/45/978854845.db2.gz UQYRDDYJBMEPRI-VJMCZWTHSA-N -1 0 333.343 3.233 20 30 EGEDRM COc1ccc(C(=O)/C=C/c2ccc(O[C@@H](C)C(=O)[O-])cc2)cc1O ZINC000811699400 978855904 /nfs/dbraw/zinc/85/59/04/978855904.db2.gz TXEIZJBPFUNJMG-LHXVZLOVSA-N -1 0 342.347 3.149 20 30 EGEDRM CC(N=Nc1nc2ccccc2c(=O)n1C)[C@@H](C)CCCCC(=O)[O-] ZINC000814771364 978884052 /nfs/dbraw/zinc/88/40/52/978884052.db2.gz QMLDWBWWEAQDLT-LBPRGKRZSA-N -1 0 344.415 3.002 20 30 EGEDRM O=C([O-])c1cc(C=NNc2ccc(Br)c(F)c2)c[nH]1 ZINC000814904956 978898135 /nfs/dbraw/zinc/89/81/35/978898135.db2.gz GYQCDOJKOKFBBU-UHFFFAOYSA-N -1 0 326.125 3.061 20 30 EGEDRM COc1cccc(F)c1[C@@H](C)N[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832557921 979047040 /nfs/dbraw/zinc/04/70/40/979047040.db2.gz CQUBGIYIJKOXCZ-DIFFPNOSSA-N -1 0 328.343 3.182 20 30 EGEDRM CCN(CC)c1ncc(C=[NH+][N-]c2ccc(C(=O)[O-])c(F)c2)s1 ZINC000835009680 979244092 /nfs/dbraw/zinc/24/40/92/979244092.db2.gz ATTMWXFFKNEGMQ-UHFFFAOYSA-N -1 0 336.392 3.273 20 30 EGEDRM C[C@@](COC(=O)/C=C/c1ccccc1C#N)(C(=O)[O-])c1ccccc1 ZINC001592765268 979369632 /nfs/dbraw/zinc/36/96/32/979369632.db2.gz QKHZZYFEILPPFS-SGWGQVFISA-N -1 0 335.359 3.157 20 30 EGEDRM C=CC[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)C1 ZINC000857250809 979625818 /nfs/dbraw/zinc/62/58/18/979625818.db2.gz NUVUKONJDKITEM-LLVKDONJSA-N -1 0 343.832 3.015 20 30 EGEDRM C[C@@H](Cc1ccc(NC(=O)N2Cc3ccc(C#N)cc3C2)cc1)C(=O)[O-] ZINC001592867383 979714916 /nfs/dbraw/zinc/71/49/16/979714916.db2.gz PGRBNFCLCBCEES-ZDUSSCGKSA-N -1 0 349.390 3.369 20 30 EGEDRM CC[C@@](NC(=O)c1cc(C)c(C#N)c(C)c1)(C(=O)[O-])c1ccccc1 ZINC001595264973 980272867 /nfs/dbraw/zinc/27/28/67/980272867.db2.gz GNUYRBOQYGWADL-FQEVSTJZSA-N -1 0 336.391 3.295 20 30 EGEDRM CC[C@](NC(=O)c1cc(C)c(C#N)c(C)c1)(C(=O)[O-])c1ccccc1 ZINC001595264974 980272954 /nfs/dbraw/zinc/27/29/54/980272954.db2.gz GNUYRBOQYGWADL-HXUWFJFHSA-N -1 0 336.391 3.295 20 30 EGEDRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)CC#Cc1ccccc1 ZINC001595361574 980763180 /nfs/dbraw/zinc/76/31/80/980763180.db2.gz JQMCVNIXOVFAGH-LJQANCHMSA-N -1 0 335.403 3.493 20 30 EGEDRM C=CCc1cc(CNCc2cc(C(=O)[O-])co2)cc(OC)c1OC ZINC000902204375 980782131 /nfs/dbraw/zinc/78/21/31/980782131.db2.gz ZAUQZQAZWSRGTE-UHFFFAOYSA-N -1 0 331.368 3.013 20 30 EGEDRM C=C[C@@](C)(CCOC)C(=O)NCCc1cc2ccc(C(=O)[O-])cc2o1 ZINC000908218168 981281568 /nfs/dbraw/zinc/28/15/68/981281568.db2.gz BJMHLHURVDWZSC-IBGZPJMESA-N -1 0 345.395 3.019 20 30 EGEDRM CC[C@@H](C(=O)[O-])N(C(=O)c1cc(C#N)ccc1F)c1ccccc1 ZINC001594768250 981728692 /nfs/dbraw/zinc/72/86/92/981728692.db2.gz SHSGOWRJSLQDTL-INIZCTEOSA-N -1 0 326.327 3.207 20 30 EGEDRM CC[C@@](C)(C#N)C(=O)Nc1ncc(Cc2cccc(C(=O)[O-])c2)s1 ZINC001594778454 981776814 /nfs/dbraw/zinc/77/68/14/981776814.db2.gz SBHHHKBYJFEVKZ-KRWDZBQOSA-N -1 0 343.408 3.310 20 30 EGEDRM CCCC[C@@H](ON=C(C)C)C(=O)N(CC(=O)[O-])C1CCCCC1 ZINC001595651535 982023325 /nfs/dbraw/zinc/02/33/25/982023325.db2.gz HMOJVWHDYXKPMU-OAHLLOKOSA-N -1 0 326.437 3.204 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1sc(C)cc1OC(F)F)C(=O)[O-] ZINC000910914392 982161543 /nfs/dbraw/zinc/16/15/43/982161543.db2.gz KFDGJCJAGIAEKO-VIFPVBQESA-N -1 0 333.356 3.197 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1ccc(-c2ccco2)nc1C)C(=O)[O-] ZINC000910913270 982161756 /nfs/dbraw/zinc/16/17/56/982161756.db2.gz UNOHJXHPSQZXIH-HNNXBMFYSA-N -1 0 328.368 3.189 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1cnn(CC)c1-c1ccccc1)C(=O)[O-] ZINC000910916289 982163541 /nfs/dbraw/zinc/16/35/41/982163541.db2.gz GUFCXTKBKXDIFY-INIZCTEOSA-N -1 0 341.411 3.109 20 30 EGEDRM CCCCc1noc(CSCc2cccc(C(=O)[O-])c2C#N)n1 ZINC001595802650 982620758 /nfs/dbraw/zinc/62/07/58/982620758.db2.gz NVNPGUWYDJECTM-UHFFFAOYSA-N -1 0 331.397 3.415 20 30 EGEDRM CCCN(C(=O)c1cccc(C(=O)[O-])c1)c1snc(C)c1C#N ZINC001595830347 982717717 /nfs/dbraw/zinc/71/77/17/982717717.db2.gz OQESHCYGILYNFV-UHFFFAOYSA-N -1 0 329.381 3.078 20 30 EGEDRM C#C[C@H](C)N(C)C(=O)c1ccccc1SCc1occc1C(=O)[O-] ZINC001588368152 983303637 /nfs/dbraw/zinc/30/36/37/983303637.db2.gz HKYMFMSMVHWQPE-LBPRGKRZSA-N -1 0 343.404 3.364 20 30 EGEDRM C#C[C@H](NC(=O)Nc1ccc(C(=O)[O-])nc1)c1ccc(Cl)cc1F ZINC001588374367 983343337 /nfs/dbraw/zinc/34/33/37/983343337.db2.gz VUIFQDMCPGHKFC-ZDUSSCGKSA-N -1 0 347.733 3.068 20 30 EGEDRM C#C[C@H](Nc1ncc(C(=O)[O-])cc1[N+](=O)[O-])c1ccc(Cl)cc1F ZINC001588376814 983353935 /nfs/dbraw/zinc/35/39/35/983353935.db2.gz XECFAARAMCTOPZ-LBPRGKRZSA-N -1 0 349.705 3.267 20 30 EGEDRM C#CC1(NC(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)CCCC1 ZINC001588379371 983364244 /nfs/dbraw/zinc/36/42/44/983364244.db2.gz GQRKGSDZWBGDTR-UHFFFAOYSA-N -1 0 330.384 3.240 20 30 EGEDRM C#CC[C@H](NC(=O)[C@H](C)Sc1cc(Cl)ccc1Cl)C(=O)[O-] ZINC001588398306 983411857 /nfs/dbraw/zinc/41/18/57/983411857.db2.gz GTJXVIXVUCLUPZ-KWQFWETISA-N -1 0 346.235 3.067 20 30 EGEDRM C#CCC1(NC(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)CCC1 ZINC001588427988 983459370 /nfs/dbraw/zinc/45/93/70/983459370.db2.gz VKESNNODQPTVKA-UHFFFAOYSA-N -1 0 341.411 3.053 20 30 EGEDRM C#CCCOc1ccc(C(=O)Nc2c(F)ccc(F)c2C(=O)[O-])cc1 ZINC001588455544 983480079 /nfs/dbraw/zinc/48/00/79/983480079.db2.gz PKSLSNNHFYRTAE-UHFFFAOYSA-N -1 0 345.301 3.317 20 30 EGEDRM C#CCN(Cc1ccccc1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1C ZINC001588469353 983501798 /nfs/dbraw/zinc/50/17/98/983501798.db2.gz GONYUGSOVMZQIB-UHFFFAOYSA-N -1 0 340.354 3.500 20 30 EGEDRM C#CCSc1ccc(COC(=O)/C=C/c2ccc(C(=O)[O-])o2)cc1 ZINC001588509505 983553363 /nfs/dbraw/zinc/55/33/63/983553363.db2.gz IVUUJZCUDSDCOQ-UXBLZVDNSA-N -1 0 342.372 3.460 20 30 EGEDRM C=C(C)[C@H](CC(=O)O[C@@H](C(=O)[O-])c1ccc(Cl)cc1)OCC ZINC001588535333 983588704 /nfs/dbraw/zinc/58/87/04/983588704.db2.gz MSBUSXIYMLVHOB-DZGCQCFKSA-N -1 0 326.776 3.380 20 30 EGEDRM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001588536086 983592090 /nfs/dbraw/zinc/59/20/90/983592090.db2.gz OKDJQARQQSKGPE-YGRLFVJLSA-N -1 0 338.791 3.141 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)[C@@H](c1ccncc1)C1CCCCC1)C(=O)[O-] ZINC001588537617 983600683 /nfs/dbraw/zinc/60/06/83/983600683.db2.gz UCDIYXQFKJXLOB-IAGOWNOFSA-N -1 0 330.428 3.281 20 30 EGEDRM C=C(C)C[C@H](NC(=O)c1ccc(COc2ccc(F)cc2)o1)C(=O)[O-] ZINC001588546391 983615225 /nfs/dbraw/zinc/61/52/25/983615225.db2.gz ITWMSLICIGQOIF-HNNXBMFYSA-N -1 0 347.342 3.147 20 30 EGEDRM C=C(C)Cn1c(N(C)Cc2ccc(C(=O)[O-])cc2)nnc1C(C)(C)C ZINC001588598386 983683256 /nfs/dbraw/zinc/68/32/56/983683256.db2.gz AWUOTMIJOSOXBP-UHFFFAOYSA-N -1 0 342.443 3.486 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N(C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC001588607159 983700257 /nfs/dbraw/zinc/70/02/57/983700257.db2.gz UWRHGJYHBHAWJV-SJLPKXTDSA-N -1 0 331.412 3.034 20 30 EGEDRM C=CCC1(C(=O)N[C@H](C)c2ccc(OCC(=O)[O-])cc2)CCCC1 ZINC001588763655 984120147 /nfs/dbraw/zinc/12/01/47/984120147.db2.gz VJCWGDOWLLKXMZ-CQSZACIVSA-N -1 0 331.412 3.464 20 30 EGEDRM C=CCC1(CNC(=O)NC(C)(C)c2cc(C(=O)[O-])on2)CCCC1 ZINC001588767314 984130099 /nfs/dbraw/zinc/13/00/99/984130099.db2.gz URQOUYVKYKLXMM-UHFFFAOYSA-N -1 0 335.404 3.044 20 30 EGEDRM C=CC[C@@H]1CCN1CC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](C)C2 ZINC001588772980 984145874 /nfs/dbraw/zinc/14/58/74/984145874.db2.gz SXWGFDSSASRFIF-VXGBXAGGSA-N -1 0 348.468 3.160 20 30 EGEDRM C=CCCC(C)(C)CNC(=O)Nc1cc(C(=O)[O-])cc(C(=O)OC)c1 ZINC001588776741 984153167 /nfs/dbraw/zinc/15/31/67/984153167.db2.gz DILAGWDJJYOOOT-UHFFFAOYSA-N -1 0 348.399 3.285 20 30 EGEDRM C=CCCC(C)(C)NS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC001588777743 984157495 /nfs/dbraw/zinc/15/74/95/984157495.db2.gz IIQWACHCBQRHCU-UHFFFAOYSA-N -1 0 331.821 3.061 20 30 EGEDRM C=CCCC[C@@H](NC(=O)[C@@H](C)Oc1ccccc1Cl)C(=O)[O-] ZINC001588786151 984182916 /nfs/dbraw/zinc/18/29/16/984182916.db2.gz MZQNDGXVDHZBQB-DGCLKSJQSA-N -1 0 325.792 3.033 20 30 EGEDRM C=CCCC[C@H](NC(=O)Cc1cc(Cl)ccc1Cl)C(=O)[O-] ZINC001588788864 984193799 /nfs/dbraw/zinc/19/37/99/984193799.db2.gz QCLWBJSNROAIKC-ZDUSSCGKSA-N -1 0 330.211 3.462 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1cccc(OCC(F)(F)F)c1)C(=O)[O-] ZINC001588792817 984212929 /nfs/dbraw/zinc/21/29/29/984212929.db2.gz GCTYKLZOCQGVBE-CYBMUJFWSA-N -1 0 345.317 3.167 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1ccc(F)cc1C(F)(F)F)C(=O)[O-] ZINC001588793450 984218768 /nfs/dbraw/zinc/21/87/68/984218768.db2.gz QQFRFWPOVGKIQM-GFCCVEGCSA-N -1 0 333.281 3.384 20 30 EGEDRM C=CCCOCCCCC(=O)Nc1cc(F)cc(C(=O)[O-])c1F ZINC001588810512 984267977 /nfs/dbraw/zinc/26/79/77/984267977.db2.gz VFQPFQWSWWKKDC-UHFFFAOYSA-N -1 0 327.327 3.365 20 30 EGEDRM C=CCCOCCCCC(=O)N1CCc2cccc(C(=O)[O-])c2C1 ZINC001588810524 984268143 /nfs/dbraw/zinc/26/81/43/984268143.db2.gz WHEWVRZTDCDIFO-UHFFFAOYSA-N -1 0 331.412 3.033 20 30 EGEDRM C=CCN(C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)[C@H](C)COC ZINC001588820587 984285715 /nfs/dbraw/zinc/28/57/15/984285715.db2.gz MPGGWOXXYQBCKY-CYBMUJFWSA-N -1 0 334.416 3.104 20 30 EGEDRM C=CCN(Cc1ccccc1F)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC001588831691 984316561 /nfs/dbraw/zinc/31/65/61/984316561.db2.gz JTLSGRLGRFRVDN-UHFFFAOYSA-N -1 0 330.359 3.297 20 30 EGEDRM C=CCN1C(=O)N[C@H](c2cccc(-c3cccnc3)c2)C(C(=O)[O-])=C1C ZINC001588836790 984329713 /nfs/dbraw/zinc/32/97/13/984329713.db2.gz IAWCPPXDJJXGML-GOSISDBHSA-N -1 0 349.390 3.360 20 30 EGEDRM C=CC[S@@](=O)(=NC(=O)c1[nH]c(C)c(C(=O)[O-])c1C)c1ccccc1 ZINC001588879190 984456764 /nfs/dbraw/zinc/45/67/64/984456764.db2.gz VHOSCGAUVBJLAR-DEOSSOPVSA-N -1 0 346.408 3.183 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@@H]1C[C@H]1OC(C)(C)C ZINC001588885072 984465097 /nfs/dbraw/zinc/46/50/97/984465097.db2.gz KSTSYYFKNBNBJP-ZIAGYGMSSA-N -1 0 348.395 3.231 20 30 EGEDRM C=CCc1ccccc1OS(=O)(=O)CC1(C(=O)[O-])CCCCC1 ZINC001588886582 984472907 /nfs/dbraw/zinc/47/29/07/984472907.db2.gz NCTCCXLMPUWFDI-UHFFFAOYSA-N -1 0 338.425 3.159 20 30 EGEDRM C=CCn1c(SCc2oncc2C(=O)[O-])nnc1-c1ccoc1C ZINC001588907120 984537593 /nfs/dbraw/zinc/53/75/93/984537593.db2.gz ARNNCEOPMIYRTG-UHFFFAOYSA-N -1 0 346.368 3.011 20 30 EGEDRM CC#CCCCC(=O)N[C@@H](C[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC001588925889 984589898 /nfs/dbraw/zinc/58/98/98/984589898.db2.gz ZIRZAVBIBKSOMX-AEFFLSMTSA-N -1 0 327.424 3.260 20 30 EGEDRM C[C@H](CC(=O)[O-])NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 ZINC001599888968 984671266 /nfs/dbraw/zinc/67/12/66/984671266.db2.gz RLPYKQJTHIVCJL-CYBMUJFWSA-N -1 0 338.363 3.138 20 30 EGEDRM CC(=NOCCc1ccc(F)c(F)c1)c1ccc(OCC(=O)[O-])cc1 ZINC001589021226 985011449 /nfs/dbraw/zinc/01/14/49/985011449.db2.gz NTOVHLFYDVVPKT-UHFFFAOYSA-N -1 0 349.333 3.412 20 30 EGEDRM C[C@H]1CN(C(=O)N[C@H](CCCC#N)c2ccccc2)C[C@]1(C)C(=O)[O-] ZINC001599917894 985085562 /nfs/dbraw/zinc/08/55/62/985085562.db2.gz YINLANKBPCFHRS-GMBSWORKSA-N -1 0 343.427 3.174 20 30 EGEDRM Cc1[nH]c(C(=O)N(C)[C@H](C)c2cccc(C#N)c2)c(C)c1C(=O)[O-] ZINC001599949791 985588373 /nfs/dbraw/zinc/58/83/73/985588373.db2.gz URKRTDWNGFHFAK-GFCCVEGCSA-N -1 0 325.368 3.035 20 30 EGEDRM Cc1c(C#N)cccc1C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC001599973175 986043819 /nfs/dbraw/zinc/04/38/19/986043819.db2.gz LFAHGVZCOPVGOR-UHFFFAOYSA-N -1 0 349.390 3.417 20 30 EGEDRM Cc1c(C#N)cccc1C(=O)N(Cc1ccccc1)C[C@H](C)C(=O)[O-] ZINC001599973434 986046983 /nfs/dbraw/zinc/04/69/83/986046983.db2.gz SZYYTKNRZPQNGY-AWEZNQCLSA-N -1 0 336.391 3.230 20 30 EGEDRM C[C@@H](C#N)CN(C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1)C1CC1 ZINC001589329072 986161238 /nfs/dbraw/zinc/16/12/38/986161238.db2.gz IGENKEDTXZPSNA-KNXALSJPSA-N -1 0 327.384 3.031 20 30 EGEDRM CC/C(=C/C(=O)N1CCC(C#N)(C(=O)[O-])CC1)c1cccc(Cl)c1 ZINC001594692193 987101388 /nfs/dbraw/zinc/10/13/88/987101388.db2.gz WNPOTWZBESMLST-QBFSEMIESA-N -1 0 346.814 3.350 20 30 EGEDRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N(C)Cc2cc(C#N)cs2)cc1 ZINC001589504890 987117015 /nfs/dbraw/zinc/11/70/15/987117015.db2.gz OUICNHDCGPKMKV-NSHDSACASA-N -1 0 343.408 3.472 20 30 EGEDRM C[C@H](C(=O)[O-])c1cccc(NC(=O)C2(c3cccc(C#N)c3)CC2)c1 ZINC001589523033 987184508 /nfs/dbraw/zinc/18/45/08/987184508.db2.gz SOBZVKOVQAFHDB-ZDUSSCGKSA-N -1 0 334.375 3.417 20 30 EGEDRM CC(C)(C#N)c1ccccc1CNC(C)(C)c1nocc1C(=O)[O-] ZINC001589560774 987317199 /nfs/dbraw/zinc/31/71/99/987317199.db2.gz QNABAURASZSONO-UHFFFAOYSA-N -1 0 327.384 3.199 20 30 EGEDRM CC(C)(C(=O)[O-])[C@@H](NC(=O)c1csc(C#N)c1)c1ccccc1 ZINC001589602037 987430286 /nfs/dbraw/zinc/43/02/86/987430286.db2.gz UOOJWGJGEGPHCD-AWEZNQCLSA-N -1 0 328.393 3.202 20 30 EGEDRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)[C@H](CC#N)c2ccccc2)C1 ZINC001589603705 987443525 /nfs/dbraw/zinc/44/35/25/987443525.db2.gz UGPVALVKNHVXHD-JKSUJKDBSA-N -1 0 328.412 3.033 20 30 EGEDRM CCc1cc(C#N)c(NC(=O)c2[nH]c(CC)c(C(=O)[O-])c2C)s1 ZINC001597423405 987743960 /nfs/dbraw/zinc/74/39/60/987743960.db2.gz AKMYBZIFWVCNOL-UHFFFAOYSA-N -1 0 331.397 3.332 20 30 EGEDRM CCc1nc(C#N)cc(Nc2cccc(CSCCC(=O)[O-])c2)n1 ZINC001597646524 988668016 /nfs/dbraw/zinc/66/80/16/988668016.db2.gz AXBUOIMXJBXKJS-UHFFFAOYSA-N -1 0 342.424 3.362 20 30 EGEDRM CC(C)CCNC(=S)NN=C1CCC[C@H](CCCC(=O)[O-])C1 ZINC001591245709 992139018 /nfs/dbraw/zinc/13/90/18/992139018.db2.gz BGCCCEZBYQINLN-CYBMUJFWSA-N -1 0 327.494 3.298 20 30 EGEDRM CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C(=O)[O-])cn1 ZINC001591596589 992824049 /nfs/dbraw/zinc/82/40/49/992824049.db2.gz ISUFGMRYFSACRY-UHFFFAOYSA-N -1 0 338.367 3.094 20 30 EGEDRM C[C@@H](NC(=O)N1CCc2ccc(C(=O)[O-])cc2C1)c1ccc(C#N)cc1 ZINC001593070329 993619636 /nfs/dbraw/zinc/61/96/36/993619636.db2.gz QAISUUUOOGATGN-CYBMUJFWSA-N -1 0 349.390 3.085 20 30 EGEDRM COc1ccc(NN=Cc2cc(C(=O)[O-])ccc2Cl)c([N+](=O)[O-])c1 ZINC001599597470 993767686 /nfs/dbraw/zinc/76/76/86/993767686.db2.gz ULEKLJTUPURWKR-UHFFFAOYSA-N -1 0 349.730 3.401 20 30 EGEDRM C[C@@H](NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F)c1ccc(C#N)cc1 ZINC001593109233 993771455 /nfs/dbraw/zinc/77/14/55/993771455.db2.gz KSFKLFCVTHGSKT-SECBINFHSA-N -1 0 345.305 3.417 20 30 EGEDRM COc1ccc2ncc(C#N)c(OC[C@@H]3CCCC[C@@H]3C(=O)[O-])c2c1 ZINC001599634812 994270928 /nfs/dbraw/zinc/27/09/28/994270928.db2.gz HUPGGLIAXOZXOI-WFASDCNBSA-N -1 0 340.379 3.385 20 30 EGEDRM C[C@H](Sc1ccccc1C(=O)N1CCC[C@](C)(C#N)C1)C(=O)[O-] ZINC001593668336 996062624 /nfs/dbraw/zinc/06/26/24/996062624.db2.gz QNMOUJWVSPHAFP-YVEFUNNKSA-N -1 0 332.425 3.018 20 30 EGEDRM CC1(C)CCc2sc(NC(=O)c3cc(C(=O)[O-])ccn3)c(C#N)c21 ZINC001593924584 996850688 /nfs/dbraw/zinc/85/06/88/996850688.db2.gz PACAZZWUBCOANR-UHFFFAOYSA-N -1 0 341.392 3.189 20 30 EGEDRM COc1ccc(C(=O)[O-])c(NC(=O)CC2(C#N)CCCCC2)c1F ZINC001599486977 996867715 /nfs/dbraw/zinc/86/77/15/996867715.db2.gz BKXQUJGHMDJNNJ-UHFFFAOYSA-N -1 0 334.347 3.335 20 30 EGEDRM COc1cc2c(c(/C=C\C(=O)c3cc(C(=O)[O-])co3)c1)O[C@@H](C)C2 ZINC001599401111 997216471 /nfs/dbraw/zinc/21/64/71/997216471.db2.gz XMIUVUWZWBQLCJ-XOULXFPDSA-N -1 0 328.320 3.206 20 30 EGEDRM COC(=O)c1cc(COc2ccc(C#N)cc2Cl)cc(C(=O)[O-])c1 ZINC001598935464 997855935 /nfs/dbraw/zinc/85/59/35/997855935.db2.gz VVPBVDHYQVMVST-UHFFFAOYSA-N -1 0 345.738 3.275 20 30 EGEDRM C[C@H]1CC(=O)N(C)c2ccc(N[C@H](C(=O)[O-])c3cccc(C#N)c3)cc21 ZINC001594198742 998769784 /nfs/dbraw/zinc/76/97/84/998769784.db2.gz OZAAUZGVNPIXMW-BUXKBTBVSA-N -1 0 349.390 3.266 20 30 EGEDRM C[C@H]1C[C@@H](CCNC(=O)N2CCC(C#N)(C(=O)[O-])CC2)CC(C)(C)C1 ZINC001594231203 998878687 /nfs/dbraw/zinc/87/86/87/998878687.db2.gz BHNWEWOSISPBPU-LSDHHAIUSA-N -1 0 349.475 3.239 20 30 EGEDRM C[C@@H]1CC[C@](NC(=O)c2sccc2C#N)(C(=O)[O-])c2ccccc21 ZINC001594324296 999250886 /nfs/dbraw/zinc/25/08/86/999250886.db2.gz ZGILVNXURABCGF-ADLMAVQZSA-N -1 0 340.404 3.227 20 30 EGEDRM CCOc1ccc(C([O-])=C(C#N)c2nc(C)cs2)cc1[N+](=O)[O-] ZINC000047357889 213845197 /nfs/dbraw/zinc/84/51/97/213845197.db2.gz HTYOZUGSLBRGPZ-LLVKDONJSA-N -1 0 331.353 3.249 20 30 EGEDRM Cc1nc([N-]S(=O)(=O)c2cccc(C)c2)sc1SCC#N ZINC000066253625 215028048 /nfs/dbraw/zinc/02/80/48/215028048.db2.gz JDRIBJRPUBUKCV-UHFFFAOYSA-N -1 0 339.467 3.176 20 30 EGEDRM CS(=O)(=O)[N-]C(=O)Cn1c2ccccc2nc1C1CCCCC1 ZINC000095446064 218390293 /nfs/dbraw/zinc/39/02/93/218390293.db2.gz JQUONEQWVJHIOO-UHFFFAOYSA-N -1 0 335.429 3.000 20 30 EGEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cc(C#N)c2ccccc2n1 ZINC000351224859 144260183 /nfs/dbraw/zinc/26/01/83/144260183.db2.gz OQZQHGMKAIJLKM-UHFFFAOYSA-N -1 0 348.387 3.087 20 30 EGEDRM CSc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2C#N)nc1 ZINC000116603743 152068370 /nfs/dbraw/zinc/06/83/70/152068370.db2.gz VAOCPNIWXWSGJL-UHFFFAOYSA-N -1 0 339.829 3.129 20 30 EGEDRM N#Cc1ccccc1[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000193106773 153278359 /nfs/dbraw/zinc/27/83/59/153278359.db2.gz AWEBRYQMEASMAD-UHFFFAOYSA-N -1 0 342.298 3.258 20 30 EGEDRM C[C@@](CC(=O)Nc1ccc(F)c(C#N)c1)(C(=O)[O-])c1ccccc1 ZINC000324484668 154174081 /nfs/dbraw/zinc/17/40/81/154174081.db2.gz JXEKLFRWQYRZGA-SFHVURJKSA-N -1 0 326.327 3.068 20 30 EGEDRM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N=c1[n-]n(C(C)C)cc1C#N ZINC000330971860 154192790 /nfs/dbraw/zinc/19/27/90/154192790.db2.gz UFAKXBBCBRLBBS-BMFZPTHFSA-N -1 0 332.448 3.070 20 30 EGEDRM N#Cc1cc(F)ccc1[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000353796221 165891734 /nfs/dbraw/zinc/89/17/34/165891734.db2.gz RMAYWZDKEAQJHR-UHFFFAOYSA-N -1 0 328.727 3.291 20 30 EGEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1cnc(-c2ccsc2)s1 ZINC000359723186 167213827 /nfs/dbraw/zinc/21/38/27/167213827.db2.gz HNEMMGJCRYHDHB-UHFFFAOYSA-N -1 0 341.421 3.018 20 30 EGEDRM CCc1ccc(S(=O)(=O)[N-]c2n[nH]c(C3CC3)c2C#N)cc1CC ZINC000362658248 167817850 /nfs/dbraw/zinc/81/78/50/167817850.db2.gz QYUQWSIXNIGLQF-UHFFFAOYSA-N -1 0 344.440 3.084 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2OCC(F)F)s1 ZINC000435482406 269968659 /nfs/dbraw/zinc/96/86/59/269968659.db2.gz WNWBWSSQXYVBOQ-UHFFFAOYSA-N -1 0 344.364 3.064 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2O)cc1 ZINC000174250869 265036780 /nfs/dbraw/zinc/03/67/80/265036780.db2.gz YKKXMUOFXNHHOK-UHFFFAOYSA-N -1 0 342.298 3.083 20 30 EGEDRM CCCN(C(=O)c1ccc(C#N)c(O)c1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000442975272 270052056 /nfs/dbraw/zinc/05/20/56/270052056.db2.gz JSLZWBDDBYVHKY-SJORKVTESA-N -1 0 330.428 3.320 20 30 EGEDRM Cc1cccc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2)c1C#N ZINC000178593893 265327982 /nfs/dbraw/zinc/32/79/82/265327982.db2.gz URRVOQOPNQBRKI-UHFFFAOYSA-N -1 0 338.335 3.269 20 30 EGEDRM CCN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@H](C)c1ccc(C#N)cc1 ZINC000179450034 266097346 /nfs/dbraw/zinc/09/73/46/266097346.db2.gz SVMALQLEONTQEK-GFCCVEGCSA-N -1 0 339.351 3.395 20 30 EGEDRM CCN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])[C@H](C)c1ccc(C#N)cc1 ZINC000157644683 266097552 /nfs/dbraw/zinc/09/75/52/266097552.db2.gz YDYIBGNYZZDKIL-GFCCVEGCSA-N -1 0 339.351 3.395 20 30 EGEDRM CC1(C)Cc2cccc([N-]S(=O)(=O)c3cccc(C#N)c3)c2O1 ZINC000530540899 266978297 /nfs/dbraw/zinc/97/82/97/266978297.db2.gz LFHBLRLNEDIEHV-UHFFFAOYSA-N -1 0 328.393 3.073 20 30 EGEDRM CCCN(Cc1ccc(C#N)cc1)C(=O)NCC(CC)(CC)C(=O)[O-] ZINC000424410813 267013912 /nfs/dbraw/zinc/01/39/12/267013912.db2.gz JBDMFTNMQKDMDB-UHFFFAOYSA-N -1 0 345.443 3.371 20 30 EGEDRM CCSc1nnc([N-]C(=O)c2c(F)cc(C#N)cc2F)s1 ZINC000445628764 267183069 /nfs/dbraw/zinc/18/30/69/267183069.db2.gz JXQBEWNDAVVGDO-UHFFFAOYSA-N -1 0 326.353 3.052 20 30 EGEDRM Cc1cc([N+](=O)[O-])c(C)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000191565748 267365930 /nfs/dbraw/zinc/36/59/30/267365930.db2.gz QJGUMSAKKCWJQD-UHFFFAOYSA-N -1 0 345.380 3.193 20 30 EGEDRM COc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435478989 267555722 /nfs/dbraw/zinc/55/57/22/267555722.db2.gz AUURRWJIONQYIO-UHFFFAOYSA-N -1 0 328.802 3.083 20 30 EGEDRM Cc1cccc(S(=O)(=O)[N-]c2ccc(OCC(C)C)nc2)c1C#N ZINC000440824127 268056195 /nfs/dbraw/zinc/05/61/95/268056195.db2.gz SYMBEDNWYFBXPP-UHFFFAOYSA-N -1 0 345.424 3.097 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cnoc2-c2ccccc2)s1 ZINC000435500560 268261473 /nfs/dbraw/zinc/26/14/73/268261473.db2.gz HOJRKGIPFOGVNU-UHFFFAOYSA-N -1 0 331.378 3.076 20 30 EGEDRM C=CCN(C(=O)c1ccc(C#N)c([O-])c1)c1nc2c(s1)CCCC2 ZINC000442673823 269557874 /nfs/dbraw/zinc/55/78/74/269557874.db2.gz UJFVFVUDKCQXRO-UHFFFAOYSA-N -1 0 339.420 3.432 20 30 EGEDRM N#Cc1ccc(Cl)cc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281966585 275592388 /nfs/dbraw/zinc/59/23/88/275592388.db2.gz UAWLGYFNYAODFJ-UHFFFAOYSA-N -1 0 345.752 3.107 20 30 EGEDRM C[C@@H]1C[C@@H](C(=O)[O-])CN(c2c(C#N)cnc3c(F)c(F)c(F)cc32)C1 ZINC000263230397 297216386 /nfs/dbraw/zinc/21/63/86/297216386.db2.gz QMFHBIPICPEDIP-RKDXNWHRSA-N -1 0 349.312 3.071 20 30 EGEDRM Cc1cccc(S(=O)(=O)[N-]c2cc(C#N)ccc2OC(C)C)c1 ZINC000057122639 307345926 /nfs/dbraw/zinc/34/59/26/307345926.db2.gz FKUVWOGPFVRNJN-UHFFFAOYSA-N -1 0 330.409 3.455 20 30 EGEDRM N#Cc1nc(NC(=O)c2ccc(OC3CCCCC3)cc2)[n-]c1C#N ZINC000117970610 307486691 /nfs/dbraw/zinc/48/66/91/307486691.db2.gz NWCPCVYPFZVHHV-UHFFFAOYSA-N -1 0 335.367 3.117 20 30 EGEDRM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1nn(C(C)C)cc1C#N ZINC000160665656 307893322 /nfs/dbraw/zinc/89/33/22/307893322.db2.gz LHILESILAKTEGX-UHFFFAOYSA-N -1 0 338.820 3.098 20 30 EGEDRM CCc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])cc1C ZINC000538753829 314273232 /nfs/dbraw/zinc/27/32/32/314273232.db2.gz KARBMDVSNZYKTB-UHFFFAOYSA-N -1 0 345.380 3.138 20 30 EGEDRM CC(C)[C@@H]1CCc2ccccc2[C@H]1NS(=O)(=O)c1ccc(C#N)o1 ZINC000553858610 315285197 /nfs/dbraw/zinc/28/51/97/315285197.db2.gz PDXKPLUKHUQKOX-YJBOKZPZSA-N -1 0 344.436 3.389 20 30 EGEDRM CCOc1ccc(-c2cc(OCC(=O)[O-])ccc2C#N)cc1OCC ZINC000563437583 316021636 /nfs/dbraw/zinc/02/16/36/316021636.db2.gz MLNMUSAOEWLJCY-UHFFFAOYSA-N -1 0 341.363 3.486 20 30 EGEDRM Cc1occc1-c1cc([N-]S(=O)(=O)c2ccc(C#N)cc2F)no1 ZINC000571544489 317214950 /nfs/dbraw/zinc/21/49/50/317214950.db2.gz BVYRLJLUIVQOMC-UHFFFAOYSA-N -1 0 347.327 3.055 20 30 EGEDRM N#Cc1cc([N-]S(=O)(=O)c2cccc3cccnc32)ccc1F ZINC000172200379 323272973 /nfs/dbraw/zinc/27/29/73/323272973.db2.gz LUJNBMZSNXTLSO-UHFFFAOYSA-N -1 0 327.340 3.046 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2cc(C#N)ccc2OC(F)F)c(C)o1 ZINC000182795151 323576553 /nfs/dbraw/zinc/57/65/53/323576553.db2.gz XNWFJYDJRKKJFX-UHFFFAOYSA-N -1 0 342.323 3.170 20 30 EGEDRM Cc1cc(C(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)no1 ZINC000237889827 455230077 /nfs/dbraw/zinc/23/00/77/455230077.db2.gz RIGWVLFSFGRHNY-UHFFFAOYSA-N -1 0 346.342 3.333 20 30 EGEDRM C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)CCCC(=O)[O-] ZINC000417750551 458367177 /nfs/dbraw/zinc/36/71/77/458367177.db2.gz KLKWYMZUTMAVBW-LBPRGKRZSA-N -1 0 335.429 3.409 20 30 EGEDRM Cc1sc(Br)c(C([O-])=C(C#N)c2ccncn2)c1C ZINC000442541425 459011711 /nfs/dbraw/zinc/01/17/11/459011711.db2.gz RWLKDIHKMDKMHZ-VIFPVBQESA-N -1 0 336.214 3.408 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)c(F)c1 ZINC000158012213 455259338 /nfs/dbraw/zinc/25/93/38/455259338.db2.gz MHYKQFLDOSACQX-UHFFFAOYSA-N -1 0 335.747 3.023 20 30 EGEDRM N#CC1(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)CCCC1 ZINC000238211464 455258966 /nfs/dbraw/zinc/25/89/66/455258966.db2.gz FXIKWUOLHIAAJL-UHFFFAOYSA-N -1 0 332.425 3.417 20 30 EGEDRM CC(C)(CCC(=O)[O-])C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000634893629 460585603 /nfs/dbraw/zinc/58/56/03/460585603.db2.gz WFFAVIFBCLIPQW-UHFFFAOYSA-N -1 0 341.329 3.064 20 30 EGEDRM CSc1ncc(Cl)c(C([O-])=C(C#N)c2nc3ccccc3o2)n1 ZINC000041542344 453971204 /nfs/dbraw/zinc/97/12/04/453971204.db2.gz RIADKWUDFBSULQ-QMMMGPOBSA-N -1 0 344.783 3.483 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)C=CC2CC2)c(C(F)(F)F)c1 ZINC000076877091 454045499 /nfs/dbraw/zinc/04/54/99/454045499.db2.gz HVVRDWMUFNSKLK-GQCTYLIASA-N -1 0 344.314 3.188 20 30 EGEDRM C=CCS(=O)(=O)[N-]C(=O)C=Cc1cccc(OC2CCCC2)c1 ZINC000089286036 454133408 /nfs/dbraw/zinc/13/34/08/454133408.db2.gz JZQWMTIOGPBASS-ZHACJKMWSA-N -1 0 335.425 3.494 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)C=Cc2ccc(Cl)nc2)cc1 ZINC000089492455 454156265 /nfs/dbraw/zinc/15/62/65/454156265.db2.gz OOIHBDKBVDBNGN-WEVVVXLNSA-N -1 0 336.800 3.402 20 30 EGEDRM CCCc1nc(C)c(C(=O)[N-]S(=O)(=O)C2CCCCC2)s1 ZINC000058080226 454162665 /nfs/dbraw/zinc/16/26/65/454162665.db2.gz ZVGSLLGUBHVSPR-UHFFFAOYSA-N -1 0 330.475 3.371 20 30 EGEDRM C=CCn1c(=O)c2ccc(C(=O)N(C)CCCC)cc2[n-]c1=S ZINC000045549654 454167103 /nfs/dbraw/zinc/16/71/03/454167103.db2.gz SDYYFAUGMJOLIV-UHFFFAOYSA-N -1 0 331.441 3.117 20 30 EGEDRM N#CC(=C([O-])c1csc(-c2cnccn2)n1)c1nc2ccccc2o1 ZINC000077941373 454171449 /nfs/dbraw/zinc/17/14/49/454171449.db2.gz HXPLDSFLQOJREY-JTQLQIEISA-N -1 0 347.359 3.231 20 30 EGEDRM Cc1cccc(CC(=O)[N-]S(=O)(=O)c2cccc3cnccc32)c1 ZINC000078527810 454269784 /nfs/dbraw/zinc/26/97/84/454269784.db2.gz LFBULUBBYHCQRK-UHFFFAOYSA-N -1 0 340.404 3.431 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)Nc2ccc(N(C)C)cc2C)cc1C#N ZINC000060687156 454311130 /nfs/dbraw/zinc/31/11/30/454311130.db2.gz DFGDVKXSVSIANZ-UHFFFAOYSA-N -1 0 342.424 3.008 20 30 EGEDRM O=C([N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1)C1=CCCCC1 ZINC000097103754 454407695 /nfs/dbraw/zinc/40/76/95/454407695.db2.gz OXBJYVZGJBMSMA-UHFFFAOYSA-N -1 0 334.319 3.246 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2c[nH]c3cc([N+](=O)[O-])ccc32)n1 ZINC000048787551 454516293 /nfs/dbraw/zinc/51/62/93/454516293.db2.gz JIHVVUKXMRFVNJ-LLVKDONJSA-N -1 0 326.337 3.331 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2OC(F)F)cc1 ZINC000102748982 454518587 /nfs/dbraw/zinc/51/85/87/454518587.db2.gz ZOQRQAQPUIKQDH-UHFFFAOYSA-N -1 0 338.335 3.269 20 30 EGEDRM Cc1oc(-c2cnn(C)c2)nc1C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000176463744 454748869 /nfs/dbraw/zinc/74/88/69/454748869.db2.gz FRUQNCJZRAPKQQ-LBPRGKRZSA-N -1 0 347.334 3.015 20 30 EGEDRM Cc1ccc2nc([N-]S(=O)(=O)c3ccc(C#N)cc3F)sc2c1 ZINC000125462441 454823610 /nfs/dbraw/zinc/82/36/10/454823610.db2.gz HMQDPRVGXWNQAP-UHFFFAOYSA-N -1 0 347.396 3.416 20 30 EGEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1cccnc1-c1ccccc1 ZINC000164975498 454892447 /nfs/dbraw/zinc/89/24/47/454892447.db2.gz NFMQGMGYENOVBQ-UHFFFAOYSA-N -1 0 335.388 3.421 20 30 EGEDRM C=CCOc1ccc(C(=O)N(CCc2ccccc2)CC(=O)[O-])cc1 ZINC000178136096 454937231 /nfs/dbraw/zinc/93/72/31/454937231.db2.gz VTNAHGJDYLZKIT-UHFFFAOYSA-N -1 0 339.391 3.021 20 30 EGEDRM Cc1[n-]n(-c2ccc(C)cc2C)c(=O)c1C(=O)Nc1ccc(C#N)cc1 ZINC000155588537 455019296 /nfs/dbraw/zinc/01/92/96/455019296.db2.gz CJILLVGGBSQWEI-SFHVURJKSA-N -1 0 346.390 3.153 20 30 EGEDRM COc1ccc(-c2n[nH]cc2C([O-])=C(C#N)c2nc(C)cs2)cc1 ZINC000155669059 455029550 /nfs/dbraw/zinc/02/95/50/455029550.db2.gz VLSLWYPQNXWSNG-ZDUSSCGKSA-N -1 0 338.392 3.340 20 30 EGEDRM N#CC(=C([O-])c1ccn(C2CCCC2)n1)c1cnc2ccccc2n1 ZINC000190946470 455411811 /nfs/dbraw/zinc/41/18/11/455411811.db2.gz SLIYUYMPRRQRNN-AWEZNQCLSA-N -1 0 331.379 3.431 20 30 EGEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)[N-]OC1CCCC1 ZINC000271664316 455715962 /nfs/dbraw/zinc/71/59/62/455715962.db2.gz LEPHBQSFQVOHQJ-GFCCVEGCSA-N -1 0 347.440 3.010 20 30 EGEDRM C=CCNC(=O)Nc1ccc(NC(=O)c2cc(F)c([O-])c(F)c2)cc1 ZINC000186441890 455770087 /nfs/dbraw/zinc/77/00/87/455770087.db2.gz HBGPBDOKCRDQMN-UHFFFAOYSA-N -1 0 347.321 3.230 20 30 EGEDRM C=CCN(CCC#N)C(=O)c1nn(-c2ccc(C(C)C)cc2)cc1[O-] ZINC000293935408 455801576 /nfs/dbraw/zinc/80/15/76/455801576.db2.gz ULGDGHSHFSASNG-UHFFFAOYSA-N -1 0 338.411 3.243 20 30 EGEDRM COc1ccc([C@H]([N-]C(=O)C(F)C(F)(F)F)C(F)(F)F)cc1 ZINC000278430707 455836681 /nfs/dbraw/zinc/83/66/81/455836681.db2.gz RPBOSMOKCFJRDE-IUCAKERBSA-N -1 0 333.203 3.315 20 30 EGEDRM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2c(C#N)cnn2CC)cc1 ZINC000187767383 455950494 /nfs/dbraw/zinc/95/04/94/455950494.db2.gz HMOVBLDIOVGCLR-GFCCVEGCSA-N -1 0 332.429 3.089 20 30 EGEDRM N#CC1(C(=O)Nc2cc(Br)cc(Cl)c2[O-])CCC1 ZINC000270665089 456009037 /nfs/dbraw/zinc/00/90/37/456009037.db2.gz PTJCEWCGBOJTNI-UHFFFAOYSA-N -1 0 329.581 3.440 20 30 EGEDRM CC(C)c1cccc(S(=O)(=O)[N-]c2nc3c(cc2C#N)CCC3)c1 ZINC000332591052 456094188 /nfs/dbraw/zinc/09/41/88/456094188.db2.gz AHHBGQAKVBNICL-UHFFFAOYSA-N -1 0 341.436 3.366 20 30 EGEDRM C=CCC[C@H](NC(=O)c1cc(Cl)c(Cl)cc1OC)C(=O)[O-] ZINC000263540839 456163261 /nfs/dbraw/zinc/16/32/61/456163261.db2.gz QTVVVMSIXZGAQZ-NSHDSACASA-N -1 0 332.183 3.151 20 30 EGEDRM N#Cc1cccc(Cl)c1N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000290600256 456378827 /nfs/dbraw/zinc/37/88/27/456378827.db2.gz DTANZPXJKORRTM-JTQLQIEISA-N -1 0 345.752 3.107 20 30 EGEDRM C=CCOc1cccc(CN=c2[n-]nc(Cc3ccsc3)o2)c1 ZINC000347891376 456423726 /nfs/dbraw/zinc/42/37/26/456423726.db2.gz YJVDVTXFOOHBIT-UHFFFAOYSA-N -1 0 327.409 3.321 20 30 EGEDRM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000352979060 456425881 /nfs/dbraw/zinc/42/58/81/456425881.db2.gz ZQIWMNHVKRBRJI-UHFFFAOYSA-N -1 0 341.186 3.023 20 30 EGEDRM CCOC(CC/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-])OCC ZINC000276426796 456476727 /nfs/dbraw/zinc/47/67/27/456476727.db2.gz YCTJXBLNMXCGPL-CXUHLZMHSA-N -1 0 330.768 3.162 20 30 EGEDRM CC[C@@H](c1n[n-]c(=NC(=O)N(C)C[C@H](C)C#N)s1)c1ccccc1 ZINC000340763938 456674004 /nfs/dbraw/zinc/67/40/04/456674004.db2.gz QXNDYVCSAAQVKY-TZMCWYRMSA-N -1 0 343.456 3.125 20 30 EGEDRM Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C\c1cn(C)nc1C(F)F)CC2 ZINC000291649938 456708773 /nfs/dbraw/zinc/70/87/73/456708773.db2.gz ULTNYMBYIILGEQ-YVMONPNESA-N -1 0 336.294 3.170 20 30 EGEDRM Cc1cc(F)ccc1N(Cc1n[nH]c(=O)[n-]1)Cc1cccc(C#N)c1 ZINC000340838171 456711257 /nfs/dbraw/zinc/71/12/57/456711257.db2.gz WPEBCNYZEQCQJC-UHFFFAOYSA-N -1 0 337.358 3.036 20 30 EGEDRM C[C@H]1C[C@H](C([O-])=Nc2cccn(CC(F)(F)F)c2=O)CCC1=O ZINC000328958601 456801159 /nfs/dbraw/zinc/80/11/59/456801159.db2.gz PPUQFOVKBURUEB-VHSXEESVSA-N -1 0 330.306 3.004 20 30 EGEDRM N#CC(=C([O-])c1ccnc(NC(=O)C2CC2)c1)c1nc2ccccc2o1 ZINC000353644202 456825153 /nfs/dbraw/zinc/82/51/53/456825153.db2.gz MLFWSKFUOBNVPJ-CYBMUJFWSA-N -1 0 346.346 3.061 20 30 EGEDRM CCc1oc(C([O-])=C(C#N)c2cnc3ccccc3n2)cc1C(=O)OC ZINC000338688597 456853294 /nfs/dbraw/zinc/85/32/94/456853294.db2.gz PBYKLADWZUBQJM-LBPRGKRZSA-N -1 0 349.346 3.062 20 30 EGEDRM O=C(N=c1[n-]nc(CC(F)(F)F)s1)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000330134589 456990226 /nfs/dbraw/zinc/99/02/26/456990226.db2.gz RZIUVQPBUBUFJW-LPEHRKFASA-N -1 0 348.394 3.360 20 30 EGEDRM CC(C)c1ccc(S(=O)(=O)[N-]c2n[nH]c(C3CC3)c2C#N)cc1 ZINC000362665183 457034172 /nfs/dbraw/zinc/03/41/72/457034172.db2.gz NZUHGUBLJGVANI-UHFFFAOYSA-N -1 0 330.413 3.083 20 30 EGEDRM C=C(C)COc1cccc([N-]S(=O)(=O)c2cnc(CC)s2)c1 ZINC000359104259 457056227 /nfs/dbraw/zinc/05/62/27/457056227.db2.gz MWWAEJUEPIDJTM-UHFFFAOYSA-N -1 0 338.454 3.461 20 30 EGEDRM CCOC(=O)c1[n-]c(=NC(=O)N[C@@H]2CC[C@H](C)C2)sc1C(C)=O ZINC000331301513 457163397 /nfs/dbraw/zinc/16/33/97/457163397.db2.gz DZSUNRUKAYBDGE-WCBMZHEXSA-N -1 0 339.417 3.037 20 30 EGEDRM Cc1c(C([O-])=C(C#N)c2ccncn2)cnn1-c1cc(C)ccc1C ZINC000354468798 457243744 /nfs/dbraw/zinc/24/37/44/457243744.db2.gz PQONVEOXGQUHAG-OAHLLOKOSA-N -1 0 331.379 3.078 20 30 EGEDRM CCCc1c(C([O-])=C(C#N)c2ccncn2)cnn1-c1ccc(F)cc1 ZINC000354471776 457245032 /nfs/dbraw/zinc/24/50/32/457245032.db2.gz UDEVEJATKAYUBQ-OAHLLOKOSA-N -1 0 349.369 3.244 20 30 EGEDRM COc1ccccc1OCc1ccc(C([O-])=C(C#N)c2ccncn2)o1 ZINC000354473741 457246213 /nfs/dbraw/zinc/24/62/13/457246213.db2.gz WEGBWPGQVIFBKN-AWEZNQCLSA-N -1 0 349.346 3.147 20 30 EGEDRM C=C(CNC(=O)c1nn(-c2cccc(F)c2)cc1[O-])c1ccccc1 ZINC000360207202 457294462 /nfs/dbraw/zinc/29/44/62/457294462.db2.gz FTTQMXACNHSZEG-UHFFFAOYSA-N -1 0 337.354 3.160 20 30 EGEDRM N#CC(=C([O-])c1ncccc1OCC(F)F)c1nc2ccccc2o1 ZINC000354944404 457331060 /nfs/dbraw/zinc/33/10/60/457331060.db2.gz WUQIAEWBLJEGQG-SNVBAGLBSA-N -1 0 343.289 3.357 20 30 EGEDRM CSCc1cccnc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000355120904 457343186 /nfs/dbraw/zinc/34/31/86/457343186.db2.gz VAVYKUMQYQXELY-CYBMUJFWSA-N -1 0 336.420 3.321 20 30 EGEDRM Cc1nn(CC(F)F)c(C)c1C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000355317090 457355794 /nfs/dbraw/zinc/35/57/94/457355794.db2.gz ZVMGLGWBUUYQOM-LLVKDONJSA-N -1 0 344.321 3.396 20 30 EGEDRM N#CC(=C([O-])c1cc2cc(Cl)ccn2n1)c1cnc2ccccc2n1 ZINC000355402332 457370687 /nfs/dbraw/zinc/37/06/87/457370687.db2.gz CDDKZBXTXUTWRD-ZDUSSCGKSA-N -1 0 347.765 3.421 20 30 EGEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]CCC2=CCCCC2)c(F)c1 ZINC000342611261 457401923 /nfs/dbraw/zinc/40/19/23/457401923.db2.gz XFNNOOOALLPQOL-UHFFFAOYSA-N -1 0 326.368 3.005 20 30 EGEDRM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cc(C2CC2)ccn1 ZINC000357555268 457594208 /nfs/dbraw/zinc/59/42/08/457594208.db2.gz DPYODFCLCWEYSN-UHFFFAOYSA-N -1 0 333.800 3.285 20 30 EGEDRM CCCCc1n[n-]c(=NC(=O)N(C)[C@H](C)c2cccc(C#N)c2)s1 ZINC000425616473 457614159 /nfs/dbraw/zinc/61/41/59/457614159.db2.gz ABGFGPSZFLXEHP-GFCCVEGCSA-N -1 0 343.456 3.399 20 30 EGEDRM C=CCOc1cccnc1C([O-])=C(C#N)c1cnc2ccccc2n1 ZINC000361541356 457782705 /nfs/dbraw/zinc/78/27/05/457782705.db2.gz OLKDEGFLMHQIOO-ZDUSSCGKSA-N -1 0 330.347 3.080 20 30 EGEDRM C=CCCO[C@@H](C)C(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000375365190 457898451 /nfs/dbraw/zinc/89/84/51/457898451.db2.gz FFUAEWZCIWMTPK-AWEZNQCLSA-N -1 0 331.412 3.072 20 30 EGEDRM N#CCCCOc1cccc(CN[C@@H](C(=O)[O-])c2ccsc2)c1 ZINC000426828259 457911965 /nfs/dbraw/zinc/91/19/65/457911965.db2.gz KNFZBGBXNZJYHF-MRXNPFEDSA-N -1 0 330.409 3.346 20 30 EGEDRM Cc1c([N-]S(=O)(=O)c2ccc(C#N)s2)cccc1-c1ncco1 ZINC000427335385 457975124 /nfs/dbraw/zinc/97/51/24/457975124.db2.gz NFVJEYOVOKHACZ-UHFFFAOYSA-N -1 0 345.405 3.384 20 30 EGEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(OC(C)C)cc1 ZINC000358566194 458080251 /nfs/dbraw/zinc/08/02/51/458080251.db2.gz NJRUDOQLUGYHIG-UHFFFAOYSA-N -1 0 346.408 3.155 20 30 EGEDRM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@](C)(CC(=O)[O-])C1CCCCC1 ZINC000435725500 458191574 /nfs/dbraw/zinc/19/15/74/458191574.db2.gz XVEPNCPEKYLQGF-DKSSEZFCSA-N -1 0 337.460 3.145 20 30 EGEDRM CCn1cc(C([O-])=C(C#N)c2nc(C)cs2)c(C(F)(F)F)n1 ZINC000435775957 458202202 /nfs/dbraw/zinc/20/22/02/458202202.db2.gz GWEVBXNFHJCPKA-MRVPVSSYSA-N -1 0 328.319 3.177 20 30 EGEDRM C=C(C)[C@H](NC(=O)N(C)CCCC(=O)[O-])c1ccc(F)c(F)c1 ZINC000414648410 458323806 /nfs/dbraw/zinc/32/38/06/458323806.db2.gz UIJHVYXZUKUILT-HNNXBMFYSA-N -1 0 326.343 3.088 20 30 EGEDRM C[C@H](C#N)CN(C(=O)c1cc(F)cc(Br)c1[O-])C1CC1 ZINC000416173610 458340312 /nfs/dbraw/zinc/34/03/12/458340312.db2.gz AFJFLIDNUKCMHA-MRVPVSSYSA-N -1 0 341.180 3.058 20 30 EGEDRM C=CCc1cc(/C=C/c2nc(C(=O)[O-])ccc2C#N)cc(OC)c1O ZINC000436942662 458410078 /nfs/dbraw/zinc/41/00/78/458410078.db2.gz WNCZAAKSWMUSKS-FNORWQNLSA-N -1 0 336.347 3.265 20 30 EGEDRM N#Cc1cc(F)ccc1S(=O)(=O)NC[C@H](c1ccccc1)C1CC1 ZINC000431564278 458589565 /nfs/dbraw/zinc/58/95/65/458589565.db2.gz LBGSJTOWARHCJE-QGZVFWFLSA-N -1 0 344.411 3.169 20 30 EGEDRM C=CCN(Cc1ccccc1F)C(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC000424405577 458635425 /nfs/dbraw/zinc/63/54/25/458635425.db2.gz DXPOVTVCNBGPTR-OAHLLOKOSA-N -1 0 336.407 3.270 20 30 EGEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000546707073 458661687 /nfs/dbraw/zinc/66/16/87/458661687.db2.gz FQZJDOKQRWSDAU-UHFFFAOYSA-N -1 0 330.409 3.491 20 30 EGEDRM C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1C ZINC000546973209 458691595 /nfs/dbraw/zinc/69/15/95/458691595.db2.gz FFBPMRFDTFJNKK-UHFFFAOYSA-N -1 0 345.420 3.383 20 30 EGEDRM Cc1ccc(F)c(S(=O)(=O)[N-]c2cc(C#N)c3ccccc3n2)c1 ZINC000508119898 458757156 /nfs/dbraw/zinc/75/71/56/458757156.db2.gz SBAMDYCZHMBDFC-UHFFFAOYSA-N -1 0 341.367 3.355 20 30 EGEDRM CC(C)(C)OC(=O)Nc1cccc(C([O-])=C(C#N)c2ccncn2)c1 ZINC000495312508 458831904 /nfs/dbraw/zinc/83/19/04/458831904.db2.gz NSBGXTRBKSMJQR-AWEZNQCLSA-N -1 0 338.367 3.314 20 30 EGEDRM C=CCOC[C@@H](NC(=O)Nc1cccc(-c2cccs2)c1)C(=O)[O-] ZINC000555848014 458914118 /nfs/dbraw/zinc/91/41/18/458914118.db2.gz DLNBTFIUYRSLHN-CQSZACIVSA-N -1 0 346.408 3.192 20 30 EGEDRM C=CCOC[C@H](NC(=O)Nc1cccc(-c2cccs2)c1)C(=O)[O-] ZINC000555848013 458914189 /nfs/dbraw/zinc/91/41/89/458914189.db2.gz DLNBTFIUYRSLHN-AWEZNQCLSA-N -1 0 346.408 3.192 20 30 EGEDRM N#CC1CCC(CNC(=O)c2cccc(C(F)(F)F)c2[O-])CC1 ZINC000566688407 458984557 /nfs/dbraw/zinc/98/45/57/458984557.db2.gz ZDKRZORFORZOBU-UHFFFAOYSA-N -1 0 326.318 3.471 20 30 EGEDRM N#CCCC1CCN(C(=O)N=c2[n-]nc(-c3ccccc3)s2)CC1 ZINC000519821071 459010528 /nfs/dbraw/zinc/01/05/28/459010528.db2.gz AJMSEDFQBUZDJN-UHFFFAOYSA-N -1 0 341.440 3.175 20 30 EGEDRM CCO[C@@H](C)c1ncc(C([O-])=C(C#N)c2cc(C)nc(C)n2)s1 ZINC000442645148 459019820 /nfs/dbraw/zinc/01/98/20/459019820.db2.gz ILCVGGMFUSAMNP-JQWIXIFHSA-N -1 0 330.413 3.138 20 30 EGEDRM C=CC[C@@H](CC)NC(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000567328496 459086665 /nfs/dbraw/zinc/08/66/65/459086665.db2.gz UAWNZQDFXWETCY-ZWNOBZJWSA-N -1 0 328.771 3.259 20 30 EGEDRM CC(C)C[C@H](C#N)NC(=O)c1nn(-c2cccc(C(C)C)c2)cc1[O-] ZINC000590206188 459100873 /nfs/dbraw/zinc/10/08/73/459100873.db2.gz NUMYFCGNMOGPJN-OAHLLOKOSA-N -1 0 340.427 3.369 20 30 EGEDRM CC(C)(C)OC(=O)NCC(C)(C)CN=Nc1ccc(C(=O)[O-])cc1 ZINC000496275070 459131939 /nfs/dbraw/zinc/13/19/39/459131939.db2.gz MEEFWPWVNUJGBC-UHFFFAOYSA-N -1 0 335.404 3.333 20 30 EGEDRM COc1ccc(CN=c2[n-]nc(SCC3(CC#N)CC3)s2)cc1 ZINC000594883835 459166419 /nfs/dbraw/zinc/16/64/19/459166419.db2.gz QNXSTKVYBTVKHA-UHFFFAOYSA-N -1 0 346.481 3.367 20 30 EGEDRM N#CC(=C([O-])c1coc(C2CCOCC2)n1)c1cnc2ccccc2n1 ZINC000558948417 459225279 /nfs/dbraw/zinc/22/52/79/459225279.db2.gz XMLJFBOOTWDPGR-ZDUSSCGKSA-N -1 0 348.362 3.002 20 30 EGEDRM N#C[C@H](Cc1ccccc1)Sc1n[n-]c(=NCc2ccco2)s1 ZINC000590809847 459228720 /nfs/dbraw/zinc/22/87/20/459228720.db2.gz TZNOHGSQHRHCBI-AWEZNQCLSA-N -1 0 342.449 3.392 20 30 EGEDRM C=CCn1c(-c2ccc3ccccc3c2)n[n-]c1=Nc1cnn(C)c1 ZINC000578681521 459237686 /nfs/dbraw/zinc/23/76/86/459237686.db2.gz PBWUDTFOIZQRFT-UHFFFAOYSA-N -1 0 330.395 3.183 20 30 EGEDRM C=CCC[C@@H](NC(=O)Nc1ccc(Cl)c(OC(F)F)c1)C(=O)[O-] ZINC000579805122 459251581 /nfs/dbraw/zinc/25/15/81/459251581.db2.gz CVTCTUXMFZJFOZ-SNVBAGLBSA-N -1 0 348.733 3.482 20 30 EGEDRM C=CCN(C(=O)N=c1[n-]nc(-c2cccc(Cl)c2)s1)C1CC1 ZINC000481542190 459260700 /nfs/dbraw/zinc/26/07/00/459260700.db2.gz CNDJAKZRDPPOKX-UHFFFAOYSA-N -1 0 334.832 3.463 20 30 EGEDRM C=CCC[C@@H](NS(=O)(=O)c1ccc(C(C)(C)CC)cc1)C(=O)[O-] ZINC000582276533 459337609 /nfs/dbraw/zinc/33/76/09/459337609.db2.gz FNQMVJKLYFSGHH-OAHLLOKOSA-N -1 0 339.457 3.072 20 30 EGEDRM C=CCC[C@@H](NC(=O)N[C@H](C)c1ccccc1OC(F)F)C(=O)[O-] ZINC000568963407 459373184 /nfs/dbraw/zinc/37/31/84/459373184.db2.gz FCJZXIIMVBRDCH-ZYHUDNBSSA-N -1 0 342.342 3.068 20 30 EGEDRM Cn1ncc2cc(C([O-])=C(C#N)c3ncc(C(C)(C)C)s3)cnc21 ZINC000569419088 459446994 /nfs/dbraw/zinc/44/69/94/459446994.db2.gz FSURNTMSCUKHJP-GFCCVEGCSA-N -1 0 339.424 3.212 20 30 EGEDRM C=CCN=c1[n-]nc(SCc2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000542008588 459519322 /nfs/dbraw/zinc/51/93/22/459519322.db2.gz JCCSYDCZXLUXOF-UHFFFAOYSA-N -1 0 342.833 3.412 20 30 EGEDRM N#CCC[C@H](N=c1ccc(OCC(F)(F)F)n[n-]1)c1ccccc1 ZINC000596171409 459546752 /nfs/dbraw/zinc/54/67/52/459546752.db2.gz NARRIUWZPLESLA-ZDUSSCGKSA-N -1 0 336.317 3.297 20 30 EGEDRM C[C@@H](NS(=O)(=O)c1ccc(C#N)c(F)c1)c1cc2ccccc2o1 ZINC000489034482 459558748 /nfs/dbraw/zinc/55/87/48/459558748.db2.gz BQMXIBKCZKBCHT-LLVKDONJSA-N -1 0 344.367 3.483 20 30 EGEDRM C=CCN(C(=O)Nc1cccc(C#N)c1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000572458229 459579890 /nfs/dbraw/zinc/57/98/90/459579890.db2.gz MAUYIUSABRRDJW-GOSISDBHSA-N -1 0 349.390 3.274 20 30 EGEDRM C=CCC[C@@H](NC(=O)Nc1ccc2[nH]c(C(F)F)nc2c1)C(=O)[O-] ZINC000573079809 459621751 /nfs/dbraw/zinc/62/17/51/459621751.db2.gz JVEIREGLBSUPSV-SNVBAGLBSA-N -1 0 338.314 3.041 20 30 EGEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cn3c(n2)CCCC3)s1 ZINC000573190236 459639317 /nfs/dbraw/zinc/63/93/17/459639317.db2.gz OGVRNHMXELDVOA-LLVKDONJSA-N -1 0 328.441 3.463 20 30 EGEDRM C=CCCSCCNC(=O)N=c1nc(-c2ccccc2)[n-]s1 ZINC000596451391 459641043 /nfs/dbraw/zinc/64/10/43/459641043.db2.gz YDUQSECEUPDMGS-UHFFFAOYSA-N -1 0 334.470 3.058 20 30 EGEDRM C=CCC[C@@H](NC(=O)NCCc1c[nH]c2ccc(Cl)cc12)C(=O)[O-] ZINC000562974370 459684567 /nfs/dbraw/zinc/68/45/67/459684567.db2.gz JCUODUKSCMOZTB-OAHLLOKOSA-N -1 0 349.818 3.082 20 30 EGEDRM CCOc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C#N)cc1C ZINC000544810803 459785556 /nfs/dbraw/zinc/78/55/56/459785556.db2.gz ABDFXQLSIIHRAM-UHFFFAOYSA-N -1 0 334.372 3.205 20 30 EGEDRM N#CCCCOc1cccc(N=c2[n-]nc(C(F)(F)F)s2)c1 ZINC000593455937 459894366 /nfs/dbraw/zinc/89/43/66/459894366.db2.gz VTPFWIAZYXOAAQ-UHFFFAOYSA-N -1 0 328.319 3.405 20 30 EGEDRM N#C[C@H](NC(=O)c1c([O-])cccc1F)c1ccccc1Br ZINC000613954497 459976751 /nfs/dbraw/zinc/97/67/51/459976751.db2.gz OTUVIRITBUALEG-LBPRGKRZSA-N -1 0 349.159 3.288 20 30 EGEDRM C=CCOc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000609661566 460003775 /nfs/dbraw/zinc/00/37/75/460003775.db2.gz SXWWOMZPOJMFOP-UHFFFAOYSA-N -1 0 348.380 3.269 20 30 EGEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000598735576 460012556 /nfs/dbraw/zinc/01/25/56/460012556.db2.gz UNWMPAUOPLUMJD-HOTGVXAUSA-N -1 0 334.423 3.178 20 30 EGEDRM C[C@H](NCc1cccc(OCCCC#N)c1)c1nc(C(=O)[O-])cs1 ZINC000593948581 460024172 /nfs/dbraw/zinc/02/41/72/460024172.db2.gz NKIODXAANNTBKX-LBPRGKRZSA-N -1 0 345.424 3.375 20 30 EGEDRM C[C@@H](NC(=O)C[C@](C)(C(=O)[O-])c1ccccc1)c1cccc(C#N)c1 ZINC000610335039 460122742 /nfs/dbraw/zinc/12/27/42/460122742.db2.gz PMEWQYSBINWNSF-VLIAUNLRSA-N -1 0 336.391 3.168 20 30 EGEDRM CC(C)c1ccc(CN(C(=O)N=c2[n-]n(C)cc2C#N)C2CC2)cc1 ZINC000610561004 460184592 /nfs/dbraw/zinc/18/45/92/460184592.db2.gz NOSYBMATVTVOCE-UHFFFAOYSA-N -1 0 337.427 3.034 20 30 EGEDRM Cn1ncc(C([O-])=C(C#N)c2nc3ccccc3o2)c1C(F)(F)F ZINC000619753824 460432645 /nfs/dbraw/zinc/43/26/45/460432645.db2.gz RKHZSHAQXLLDPA-MRVPVSSYSA-N -1 0 334.257 3.070 20 30 EGEDRM C[C@H](S[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCC2)C(=O)[O-] ZINC000601985548 460971592 /nfs/dbraw/zinc/97/15/92/460971592.db2.gz YGZNKLBUDVUZDQ-IUCAKERBSA-N -1 0 338.454 3.032 20 30 EGEDRM N#Cc1cc(NC(=O)CC2(C(=O)[O-])CCC2)ccc1OC(F)(F)F ZINC000601985127 460971626 /nfs/dbraw/zinc/97/16/26/460971626.db2.gz XEPFXCWFSRNMDE-UHFFFAOYSA-N -1 0 342.273 3.040 20 30 EGEDRM CC(C)c1ccc([C@@](C)(CC(=O)[O-])C(=O)NCCCCC#N)cc1 ZINC000601986263 460972419 /nfs/dbraw/zinc/97/24/19/460972419.db2.gz SFDGOSOLSIZJLD-LJQANCHMSA-N -1 0 330.428 3.352 20 30 EGEDRM C=C[C@H]1CCCCN1C(=O)c1ccc(-n2ncc(C(=O)[O-])c2C)cc1 ZINC000630301767 461091047 /nfs/dbraw/zinc/09/10/47/461091047.db2.gz OTCBNLIRHLPMAS-HNNXBMFYSA-N -1 0 339.395 3.060 20 30 EGEDRM C=C(C)C[C@H](NC(=O)c1ccc(OCCC)c(OCC)c1)C(=O)[O-] ZINC000630320384 461094772 /nfs/dbraw/zinc/09/47/72/461094772.db2.gz VBEMHOWQKMBQJP-AWEZNQCLSA-N -1 0 335.400 3.023 20 30 EGEDRM CCn1ncc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)c1C ZINC000633912846 461328406 /nfs/dbraw/zinc/32/84/06/461328406.db2.gz WODROFNDMNQTNW-NSHDSACASA-N -1 0 328.372 3.450 20 30 EGEDRM COCc1nc(C)c(C([O-])=C(C#N)c2nc(C3CC3)cs2)s1 ZINC000647378680 461668820 /nfs/dbraw/zinc/66/88/20/461668820.db2.gz QKWVDWVOYVYELV-SNVBAGLBSA-N -1 0 333.438 3.422 20 30 EGEDRM CN(C)C(=O)c1cccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)c1 ZINC000647377869 461669204 /nfs/dbraw/zinc/66/92/04/461669204.db2.gz YQQWAALWMJSBRH-AWEZNQCLSA-N -1 0 339.420 3.212 20 30 EGEDRM C=CCCCS(=O)(=O)[N-]c1nnc(/C=C\c2ccco2)s1 ZINC000644635680 462017996 /nfs/dbraw/zinc/01/79/96/462017996.db2.gz PRGVYKWBYPPEKP-FPLPWBNLSA-N -1 0 325.415 3.009 20 30 EGEDRM C=CCC[C@H](NC(=O)Nc1cccc(CC(F)(F)F)c1)C(=O)[O-] ZINC000654797266 462384433 /nfs/dbraw/zinc/38/44/33/462384433.db2.gz ZCRWICQCLPYVKY-LBPRGKRZSA-N -1 0 330.306 3.332 20 30 EGEDRM C=CCn1c(=O)c2ccc(C(=O)N3CCC(C)(C)C3)cc2[n-]c1=S ZINC000173684725 527285372 /nfs/dbraw/zinc/28/53/72/527285372.db2.gz OEDNICXELGFJPT-UHFFFAOYSA-N -1 0 343.452 3.117 20 30 EGEDRM C=CC[C@H](NS(=O)(=O)c1ccc(C2CCCCC2)cc1)C(=O)[O-] ZINC000321978138 547469401 /nfs/dbraw/zinc/46/94/01/547469401.db2.gz SWAJSJMJZIQELN-INIZCTEOSA-N -1 0 337.441 3.042 20 30 EGEDRM Cc1ccc(-c2ccc(N3C[C@H](C(=O)[O-])CC3=O)cc2C)c(C#N)c1 ZINC000565239775 548075947 /nfs/dbraw/zinc/07/59/47/548075947.db2.gz ZWUHUKSIUJRMEU-OAHLLOKOSA-N -1 0 334.375 3.280 20 30 EGEDRM Cc1sc(NC(=O)COc2ccc(C#N)c(F)c2)c(C(=O)[O-])c1C ZINC000738399507 574633314 /nfs/dbraw/zinc/63/33/14/574633314.db2.gz SJGRVYWJEFRZHI-UHFFFAOYSA-N -1 0 348.355 3.091 20 30 EGEDRM COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000738073584 574650551 /nfs/dbraw/zinc/65/05/51/574650551.db2.gz HMNBQWVYHBRFDR-OALUTQOASA-N -1 0 336.391 3.360 20 30 EGEDRM N#C[C@H](NC(=O)c1ccc(NC(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000738423683 574661546 /nfs/dbraw/zinc/66/15/46/574661546.db2.gz UQTFYRALAYMJJX-AWEZNQCLSA-N -1 0 329.743 3.425 20 30 EGEDRM COc1cc(OC)c(/C=C\C(=O)c2ccc(C(=O)[O-])s2)c(OC)c1 ZINC000730590681 575004188 /nfs/dbraw/zinc/00/41/88/575004188.db2.gz QYBSXIGIAPMJRV-PLNGDYQASA-N -1 0 348.376 3.368 20 30 EGEDRM O=C([O-])C(F)(F)Oc1ccc(/C=C2\Cc3c(cccc3O)C2=O)cc1 ZINC000730729914 575013424 /nfs/dbraw/zinc/01/34/24/575013424.db2.gz QRWQTOYVEYSPOP-DHZHZOJOSA-N -1 0 346.285 3.271 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2ccc3c(c2)CCC(C)(C)O3)C(=O)O1 ZINC000731563752 575080807 /nfs/dbraw/zinc/08/08/07/575080807.db2.gz TXTSFOSKKHFDJT-SUZKBHRPSA-N -1 0 340.375 3.018 20 30 EGEDRM Cc1ccc(C)c(NN=Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)c1 ZINC000731557522 575081432 /nfs/dbraw/zinc/08/14/32/575081432.db2.gz PETPJSKZQYTDPA-UHFFFAOYSA-N -1 0 343.339 3.121 20 30 EGEDRM COc1ccc([C@H]2CCCCC2N=Nc2nnc(C)c(=O)[n-]2)cc1F ZINC000732711553 575283767 /nfs/dbraw/zinc/28/37/67/575283767.db2.gz PKJKCQJGPBSVIS-GFCCVEGCSA-N -1 0 345.378 3.159 20 30 EGEDRM COc1ncc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)cn1 ZINC000734080063 575433342 /nfs/dbraw/zinc/43/33/42/575433342.db2.gz IWBYWEMFXXGIND-SNVBAGLBSA-N -1 0 344.783 3.238 20 30 EGEDRM CCC(CC)NN=Cc1cc(Br)ccc1OCC(=O)[O-] ZINC000734365232 575473940 /nfs/dbraw/zinc/47/39/40/575473940.db2.gz VJWACUQKHUEQRA-UHFFFAOYSA-N -1 0 343.221 3.025 20 30 EGEDRM CCCCCCCCCCC(=O)[N-]S(=O)(=O)c1ccccn1 ZINC000734965671 575582204 /nfs/dbraw/zinc/58/22/04/575582204.db2.gz VUILRYOIQAPLJW-UHFFFAOYSA-N -1 0 326.462 3.417 20 30 EGEDRM C=CCN1C(=O)N[C@H](c2ccc3c(c2)CC(C)(C)O3)C(C(=O)[O-])=C1C ZINC000736106850 575897022 /nfs/dbraw/zinc/89/70/22/575897022.db2.gz MSFVIQLWJUKFPX-MRXNPFEDSA-N -1 0 342.395 3.011 20 30 EGEDRM C=CCCCCCN(C)S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000736098260 575899525 /nfs/dbraw/zinc/89/95/25/575899525.db2.gz YTVMCKWHXDFBBU-UHFFFAOYSA-N -1 0 325.430 3.060 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)CC[C@H]1CCCCO1 ZINC000736114141 575900782 /nfs/dbraw/zinc/90/07/82/575900782.db2.gz HXTQEBVSYNVXNA-OAHLLOKOSA-N -1 0 348.395 3.377 20 30 EGEDRM C=CCn1c(SCc2ccc(F)cc2C(=O)[O-])nnc1C1CC1 ZINC000736118216 575901452 /nfs/dbraw/zinc/90/14/52/575901452.db2.gz RYPLWVCQWXAFOW-UHFFFAOYSA-N -1 0 333.388 3.471 20 30 EGEDRM C/C(=C/C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000736121494 575902065 /nfs/dbraw/zinc/90/20/65/575902065.db2.gz SOAXYOXQEGNQIH-ANGAQGJPSA-N -1 0 339.322 3.470 20 30 EGEDRM CC(C)[C@@H](NC(=O)[O-])C(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000736201185 575914301 /nfs/dbraw/zinc/91/43/01/575914301.db2.gz GZOGIVGQNUMIBI-BXUZGUMPSA-N -1 0 335.429 3.169 20 30 EGEDRM C[C@@](C#N)(NC(=O)CCc1ccc(C(=O)[O-])cc1)C1CCCCC1 ZINC000736203942 575914782 /nfs/dbraw/zinc/91/47/82/575914782.db2.gz WPHCPXQGVXVGQC-IBGZPJMESA-N -1 0 328.412 3.296 20 30 EGEDRM CC(C)c1nc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)cs1 ZINC000736526238 575975796 /nfs/dbraw/zinc/97/57/96/575975796.db2.gz SPFKXOFAYMLTMM-ZDUSSCGKSA-N -1 0 330.365 3.121 20 30 EGEDRM CC(C)c1ccc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)c(O)c1 ZINC000736513908 575975805 /nfs/dbraw/zinc/97/58/05/575975805.db2.gz ZMXDQVMFGLNEQV-KRWDZBQOSA-N -1 0 339.347 3.370 20 30 EGEDRM CCc1[nH]c(C(=O)N(CCC#N)CC(CC)CC)c(C)c1C(=O)[O-] ZINC000737241855 576146818 /nfs/dbraw/zinc/14/68/18/576146818.db2.gz NZMZTZZPIQWPDH-UHFFFAOYSA-N -1 0 333.432 3.376 20 30 EGEDRM Cc1cccc(CN=Nc2oc(CC(C)C)nc2-c2nnn[n-]2)c1C ZINC000737392016 576220403 /nfs/dbraw/zinc/22/04/03/576220403.db2.gz LTMVVGNBJJWIKL-UHFFFAOYSA-N -1 0 339.403 3.116 20 30 EGEDRM CN(CCCC(=O)[O-])C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000737432795 576228468 /nfs/dbraw/zinc/22/84/68/576228468.db2.gz FVFPYACYPLLWKQ-UHFFFAOYSA-N -1 0 337.379 3.239 20 30 EGEDRM COC(=O)Nc1cc(N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)ccc1F ZINC000737642222 576259095 /nfs/dbraw/zinc/25/90/95/576259095.db2.gz NKNUMQZIMIQYSF-OAHLLOKOSA-N -1 0 343.314 3.113 20 30 EGEDRM COCc1ccc(/C=C/C(=O)c2ccc(OCC(=O)[O-])cc2)cc1 ZINC000737834248 576266323 /nfs/dbraw/zinc/26/63/23/576266323.db2.gz MWYBDWKPBLQQOV-IZZDOVSWSA-N -1 0 326.348 3.193 20 30 EGEDRM CS[C@H](C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccccc1 ZINC000738183528 576297717 /nfs/dbraw/zinc/29/77/17/576297717.db2.gz YUVOZHJWUCNGCU-CVEARBPZSA-N -1 0 341.388 3.331 20 30 EGEDRM Cc1[nH]c2ccccc2c1C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000738247211 576305546 /nfs/dbraw/zinc/30/55/46/576305546.db2.gz WUHHJDSTLUXFLV-QGZVFWFLSA-N -1 0 334.331 3.331 20 30 EGEDRM Cc1cccn2c(/C=C/C(=O)c3cccc(OCC(=O)[O-])c3)cnc12 ZINC000738321986 576313888 /nfs/dbraw/zinc/31/38/88/576313888.db2.gz HQQBRIUVVYNMEB-BQYQJAHWSA-N -1 0 336.347 3.002 20 30 EGEDRM Cc1ccc([C@H](CNc2ccc([N+](=O)[O-])cc2C#N)C(=O)[O-])cc1 ZINC000738569306 576337702 /nfs/dbraw/zinc/33/77/02/576337702.db2.gz RQVLHVMPDPDGGB-HNNXBMFYSA-N -1 0 325.324 3.055 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@H](C)c2ccsc2)n1 ZINC000738827953 576363428 /nfs/dbraw/zinc/36/34/28/576363428.db2.gz SMWPKAASNVPUQR-ZYHUDNBSSA-N -1 0 334.422 3.036 20 30 EGEDRM N#Cc1ccc([C@@H](OC(=O)c2cc3ccsc3[nH]2)C(=O)[O-])cc1 ZINC000739113686 576378523 /nfs/dbraw/zinc/37/85/23/576378523.db2.gz AWCIYNYFUBQSKR-CYBMUJFWSA-N -1 0 326.333 3.084 20 30 EGEDRM N#Cc1ccc([C@@H](OC(=O)c2cc(Cl)c(Cl)[nH]2)C(=O)[O-])cc1 ZINC000739113942 576378607 /nfs/dbraw/zinc/37/86/07/576378607.db2.gz CPVVPRFXCSSUFS-LLVKDONJSA-N -1 0 339.134 3.176 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)c2cc3ccsc3[nH]2)C(=O)[O-])cc1 ZINC000739113690 576378617 /nfs/dbraw/zinc/37/86/17/576378617.db2.gz AWCIYNYFUBQSKR-ZDUSSCGKSA-N -1 0 326.333 3.084 20 30 EGEDRM N#Cc1ccc([C@@H](OC(=O)C[C@H]2CCc3ccccc3C2)C(=O)[O-])cc1 ZINC000739111424 576378619 /nfs/dbraw/zinc/37/86/19/576378619.db2.gz VLYKGZAETQNIMF-MGPUTAFESA-N -1 0 349.386 3.422 20 30 EGEDRM N#Cc1ccc([C@@H](OC(=O)c2cc3ccccc3cc2O)C(=O)[O-])cc1 ZINC000739115627 576378659 /nfs/dbraw/zinc/37/86/59/576378659.db2.gz UQEMTEOTMKSUTO-GOSISDBHSA-N -1 0 347.326 3.400 20 30 EGEDRM N#Cc1ccc(CSCC(=O)Oc2ccccc2CC(=O)[O-])cc1 ZINC000739117249 576378771 /nfs/dbraw/zinc/37/87/71/576378771.db2.gz BYXIMSMHEPYXKA-UHFFFAOYSA-N -1 0 341.388 3.024 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)c2cccc3ncccc32)C(=O)[O-])cc1 ZINC000739116079 576378794 /nfs/dbraw/zinc/37/87/94/576378794.db2.gz ZDGRVAVMOYXMDO-KRWDZBQOSA-N -1 0 332.315 3.089 20 30 EGEDRM N#Cc1ccc(CNC(=O)Nc2ccc(CCC(=O)[O-])cc2)c(F)c1 ZINC000739119114 576378988 /nfs/dbraw/zinc/37/89/88/576378988.db2.gz YAJIZYQOKUXQDU-UHFFFAOYSA-N -1 0 341.342 3.036 20 30 EGEDRM N#Cc1ccc(SCC(=O)O[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000739133004 576379388 /nfs/dbraw/zinc/37/93/88/576379388.db2.gz XXTBMQQLTGDTPS-MRXNPFEDSA-N -1 0 327.361 3.019 20 30 EGEDRM O=C([O-])c1ccc2[nH]cc(C=NNCc3ccc(F)c(F)c3)c2c1 ZINC000740191292 576562642 /nfs/dbraw/zinc/56/26/42/576562642.db2.gz YUUVMZGIAFMTEC-UHFFFAOYSA-N -1 0 329.306 3.268 20 30 EGEDRM O=C([O-])c1coc(C2=NNC(=Nc3cccc(Cl)c3)SC2)c1 ZINC000740269301 576571766 /nfs/dbraw/zinc/57/17/66/576571766.db2.gz KRMSQQLQJMZGJY-UHFFFAOYSA-N -1 0 335.772 3.359 20 30 EGEDRM COC(=O)[C@@H](C/N=C/c1cc(Br)ccc1O)CC(C)C ZINC000741464073 576688418 /nfs/dbraw/zinc/68/84/18/576688418.db2.gz KMAYHDPXRDHSRF-VQGSWFTOSA-N -1 0 342.233 3.409 20 30 EGEDRM CCO[C@@H](C)c1ncc(C([O-])=C(C#N)C(=O)NC2CCCCC2)s1 ZINC000744027407 576819076 /nfs/dbraw/zinc/81/90/76/576819076.db2.gz SUUUVGUYRLBYET-AAEUAGOBSA-N -1 0 349.456 3.012 20 30 EGEDRM C[C@H](Oc1cccc(C(=O)/C=C\c2ccccc2[N+](=O)[O-])c1)C(=O)[O-] ZINC000745022078 576838709 /nfs/dbraw/zinc/83/87/09/576838709.db2.gz WBTHYQBRUBKDAH-PRDAAYKISA-N -1 0 341.319 3.343 20 30 EGEDRM C[C@H](C(=O)[O-])N(C)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000817762260 597458266 /nfs/dbraw/zinc/45/82/66/597458266.db2.gz CYLAUOGCUPYDEE-LLVKDONJSA-N -1 0 342.326 3.035 20 30 EGEDRM CCc1ccc(-c2csc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])n2)s1 ZINC000820480069 598222729 /nfs/dbraw/zinc/22/27/29/598222729.db2.gz QUHGFKNBXMEKNX-OAHLLOKOSA-N -1 0 349.437 3.377 20 30 EGEDRM COc1ccc2cc([C@H](C)OC(=O)[C@@](C)(C#N)CC(=O)[O-])ccc2c1 ZINC000820853662 598229386 /nfs/dbraw/zinc/22/93/86/598229386.db2.gz ORZQKNDWQPIOCE-HXPMCKFVSA-N -1 0 341.363 3.457 20 30 EGEDRM N#CCCSc1nc2ccccc2c(=O)n1CCCCCC(=O)[O-] ZINC000739075542 599957573 /nfs/dbraw/zinc/95/75/73/599957573.db2.gz HQZUANUWDLUAQH-UHFFFAOYSA-N -1 0 345.424 3.047 20 30 EGEDRM C=C(Br)CNC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000161498299 600283420 /nfs/dbraw/zinc/28/34/20/600283420.db2.gz SIKROCKKKOWVIL-UHFFFAOYSA-N -1 0 333.569 3.068 20 30 EGEDRM N#CC1(C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)CCCCC1 ZINC000739066391 600482783 /nfs/dbraw/zinc/48/27/83/600482783.db2.gz LBZNXXNVZQXDBB-UHFFFAOYSA-N -1 0 330.384 3.343 20 30 EGEDRM C[C@H](C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1cccc(F)c1 ZINC000826061386 600706019 /nfs/dbraw/zinc/70/60/19/600706019.db2.gz PQDBUGODDBSBHI-MEDUHNTESA-N -1 0 327.311 3.170 20 30 EGEDRM COCc1cccc(/C=C/C(=O)c2ccc(OCC(=O)[O-])cc2)c1 ZINC000831817323 600828630 /nfs/dbraw/zinc/82/86/30/600828630.db2.gz IWWKBVVULWSGMY-BJMVGYQFSA-N -1 0 326.348 3.193 20 30 EGEDRM C#CCOc1cc(F)ccc1NC(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000825625452 601026005 /nfs/dbraw/zinc/02/60/05/601026005.db2.gz CNCORPMMEDERNT-UHFFFAOYSA-N -1 0 346.289 3.319 20 30 EGEDRM Cc1ccc(C)c(NC(=O)[C@H](C)ON=Cc2ccc(C(=O)[O-])cc2)c1 ZINC000832926385 601220965 /nfs/dbraw/zinc/22/09/65/601220965.db2.gz OXMDFEVNXMWUBB-AWEZNQCLSA-N -1 0 340.379 3.379 20 30 EGEDRM C#CCOc1ccccc1[C@H](C)OC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000825631313 601238890 /nfs/dbraw/zinc/23/88/90/601238890.db2.gz BDRADRNBKPVIEG-RRFJBIMHSA-N -1 0 330.380 3.194 20 30 EGEDRM C#CCOc1ccccc1[C@H](C)OC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000825631315 601238962 /nfs/dbraw/zinc/23/89/62/601238962.db2.gz BDRADRNBKPVIEG-SOUVJXGZSA-N -1 0 330.380 3.194 20 30 EGEDRM N#Cc1cccc([C@@H](OC(=O)c2ccc(F)cc2Cl)C(=O)[O-])c1 ZINC000833075824 601344800 /nfs/dbraw/zinc/34/48/00/601344800.db2.gz FMLKLRCXINRMAU-CQSZACIVSA-N -1 0 333.702 3.333 20 30 EGEDRM Cc1cccc2[nH]cc(CC(=O)O[C@H](C(=O)[O-])c3cccc(C#N)c3)c21 ZINC000832976003 601353109 /nfs/dbraw/zinc/35/31/09/601353109.db2.gz GOFMUSAKGOKBGP-IBGZPJMESA-N -1 0 348.358 3.260 20 30 EGEDRM N#Cc1cccc([C@H](OC(=O)[C@@H]2C[C@]23CCc2ccccc23)C(=O)[O-])c1 ZINC000833075088 601355020 /nfs/dbraw/zinc/35/50/20/601355020.db2.gz HJJPRGMCVWBJTN-WFXMLNOXSA-N -1 0 347.370 3.131 20 30 EGEDRM N#Cc1cccc([C@H](OC(=O)c2cccc(F)c2Cl)C(=O)[O-])c1 ZINC000833076098 601355121 /nfs/dbraw/zinc/35/51/21/601355121.db2.gz IVAMQKXIQVRMNW-AWEZNQCLSA-N -1 0 333.702 3.333 20 30 EGEDRM CC1=C(C(=O)[O-])[C@H](c2cc(C#N)cs2)NC(=O)N1CCC(C)C ZINC000828135239 601375312 /nfs/dbraw/zinc/37/53/12/601375312.db2.gz NTRARTDFFATULQ-AWEZNQCLSA-N -1 0 333.413 3.091 20 30 EGEDRM C[C@@H](CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)C(=O)[O-] ZINC000827486372 601617399 /nfs/dbraw/zinc/61/73/99/601617399.db2.gz NEMXYOJMQSYMGH-SUMWQHHRSA-N -1 0 337.379 3.184 20 30 EGEDRM C[C@@H](C(=O)[O-])[C@H](NC(=O)c1c(F)cc(C#N)cc1F)c1ccccc1 ZINC000826038774 601683692 /nfs/dbraw/zinc/68/36/92/601683692.db2.gz HJCZRDCRUGOGBV-HWPZZCPQSA-N -1 0 344.317 3.028 20 30 EGEDRM COc1cc(OC)c(C(=O)/C=C\c2c[nH]c(C(=O)[O-])c2)cc1Cl ZINC000832030452 601791317 /nfs/dbraw/zinc/79/13/17/601791317.db2.gz QGNQJJKCSYAUOB-ARJAWSKDSA-N -1 0 335.743 3.280 20 30 EGEDRM O=C([O-])c1cc(/C=C2\CC/C(=C\c3cccc([N+](=O)[O-])c3)C2=O)c[nH]1 ZINC000833355123 601792772 /nfs/dbraw/zinc/79/27/72/601792772.db2.gz JNMVAOHZIAWOQQ-AANLELRNSA-N -1 0 338.319 3.451 20 30 EGEDRM C=CCN(CC=C)C(=O)[C@H](C)SCc1ccc(C(=O)[O-])c(F)c1 ZINC000825681606 601813649 /nfs/dbraw/zinc/81/36/49/601813649.db2.gz DCNVJEDUWZGCLQ-LBPRGKRZSA-N -1 0 337.416 3.346 20 30 EGEDRM CN(CC(F)(F)C(F)F)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830702111 601898842 /nfs/dbraw/zinc/89/88/42/601898842.db2.gz MZULLIWXCWVVJN-SECBINFHSA-N -1 0 333.203 3.062 20 30 EGEDRM CN(C(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1)C1(C#N)CCC1 ZINC000830524244 601989847 /nfs/dbraw/zinc/98/98/47/601989847.db2.gz WBIUIKFZRQPCSH-UHFFFAOYSA-N -1 0 341.289 3.314 20 30 EGEDRM CCN(CCC#N)C(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000829693123 602061385 /nfs/dbraw/zinc/06/13/85/602061385.db2.gz WBPZWIHDZLSKEB-UHFFFAOYSA-N -1 0 329.278 3.171 20 30 EGEDRM Cc1ccc([N+](=O)[O-])cc1NN=Cc1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC000794900113 602073871 /nfs/dbraw/zinc/07/38/71/602073871.db2.gz VMGBNIHZKAOQMI-GFCCVEGCSA-N -1 0 343.339 3.201 20 30 EGEDRM C[C@H](Oc1ccc(/C=C2/CCc3cc(O)ccc3C2=O)cc1)C(=O)[O-] ZINC000794708899 602111123 /nfs/dbraw/zinc/11/11/23/602111123.db2.gz VALMPDJCUSIZLF-GQVHDAKQSA-N -1 0 338.359 3.457 20 30 EGEDRM CC[C@@H](OC1CCCCC1)C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000829009711 602271451 /nfs/dbraw/zinc/27/14/51/602271451.db2.gz MLZDKCHNPUFVTE-IAGOWNOFSA-N -1 0 345.395 3.355 20 30 EGEDRM Cc1c(C#N)cccc1NC(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC000832849612 604557408 /nfs/dbraw/zinc/55/74/08/604557408.db2.gz LUGLVDYJQHFLAX-CYBMUJFWSA-N -1 0 329.381 3.266 20 30 EGEDRM C=C(C)[C@@H](CC(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1)OCC ZINC000833368043 604563053 /nfs/dbraw/zinc/56/30/53/604563053.db2.gz ZPOUCCNYUTYFHS-LSDHHAIUSA-N -1 0 339.819 3.343 20 30 EGEDRM C=C(C)[C@@H](CC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-])OCC ZINC000833367289 604569969 /nfs/dbraw/zinc/56/99/69/604569969.db2.gz KABGOXUWJQWYLW-WBVHZDCISA-N -1 0 333.428 3.326 20 30 EGEDRM C[C@@]1(c2ccccc2)CN(Cc2cccc(C(=O)[O-])c2C#N)CCO1 ZINC000833578637 604613996 /nfs/dbraw/zinc/61/39/96/604613996.db2.gz QUXFPYQOKUOIFC-FQEVSTJZSA-N -1 0 336.391 3.004 20 30 EGEDRM N#Cc1cccc([C@@H](OC(=O)c2ccc(F)c(Cl)c2)C(=O)[O-])c1 ZINC000833077199 604693841 /nfs/dbraw/zinc/69/38/41/604693841.db2.gz MZOBIPNSQGPJOT-CQSZACIVSA-N -1 0 333.702 3.333 20 30 EGEDRM C=CCNc1ncc(C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)s1 ZINC000825692121 604741047 /nfs/dbraw/zinc/74/10/47/604741047.db2.gz IXKXEGLWEMJHLB-ZDUSSCGKSA-N -1 0 345.424 3.077 20 30 EGEDRM C#CCOc1ccc(F)cc1NCc1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000833367441 604775049 /nfs/dbraw/zinc/77/50/49/604775049.db2.gz YBJSGLMXUSNWJY-ZDUSSCGKSA-N -1 0 343.354 3.302 20 30 EGEDRM COC(=O)c1cc(NCC#Cc2cccc(Cl)c2)ccc1C(=O)[O-] ZINC000831316448 604798954 /nfs/dbraw/zinc/79/89/54/604798954.db2.gz ZALDBXSWSRGUBH-UHFFFAOYSA-N -1 0 343.766 3.288 20 30 EGEDRM Cc1[nH]c(C(=O)N[C@@H](CCC#N)c2ccccc2)c(C)c1C(=O)[O-] ZINC000833739370 604941621 /nfs/dbraw/zinc/94/16/21/604941621.db2.gz CLDFUMYQNRWOCG-AWEZNQCLSA-N -1 0 325.368 3.105 20 30 EGEDRM CC(N=Nc1ccc(C(=O)[O-])cn1)[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000763369509 604943678 /nfs/dbraw/zinc/94/36/78/604943678.db2.gz VHXZSBOPXHGGFX-LLVKDONJSA-N -1 0 342.355 3.355 20 30 EGEDRM C#CCCCCC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000833362802 605010380 /nfs/dbraw/zinc/01/03/80/605010380.db2.gz LRQXQFXMNKCSKC-UHFFFAOYSA-N -1 0 325.364 3.435 20 30 EGEDRM C[C@@H](C(=O)[O-])n1cccc1CN=Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000833406034 605039684 /nfs/dbraw/zinc/03/96/84/605039684.db2.gz KLXZUKUSZFSALG-VIFPVBQESA-N -1 0 336.735 3.141 20 30 EGEDRM C=CCCC[C@H](C)NC(=O)Nc1ccc(C(=O)OC)c(C(=O)[O-])c1 ZINC000833374416 605076407 /nfs/dbraw/zinc/07/64/07/605076407.db2.gz ZTCTZRINGIQWMS-NSHDSACASA-N -1 0 334.372 3.038 20 30 EGEDRM O=C([O-])C1CCC(C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1 ZINC000833772252 605099259 /nfs/dbraw/zinc/09/92/59/605099259.db2.gz MLNNKNCGNBFYIZ-UHFFFAOYSA-N -1 0 348.402 3.311 20 30 EGEDRM CC(C)(C)n1cc(C#N)cc1NC(=O)NC1(CC(=O)[O-])CCCCC1 ZINC000833453219 605337963 /nfs/dbraw/zinc/33/79/63/605337963.db2.gz YPUFPIOOIXVAFG-UHFFFAOYSA-N -1 0 346.431 3.414 20 30 EGEDRM C[C@]1(C#N)CCCN([C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)C1 ZINC000833550816 605421396 /nfs/dbraw/zinc/42/13/96/605421396.db2.gz DOGWESJTIFZNQJ-UKRRQHHQSA-N -1 0 326.318 3.457 20 30 EGEDRM COc1ccc(O)cc1C(=O)/C=C\c1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000794709939 605575258 /nfs/dbraw/zinc/57/52/58/605575258.db2.gz DQLUZHKJVIFFEM-LRAPTIAOSA-N -1 0 342.347 3.149 20 30 EGEDRM CCOc1ccc(S(=O)(=O)[N-]C(=O)c2cc(C)sc2C)cc1 ZINC000042247333 1291438502 /nfs/dbraw/zinc/43/85/02/1291438502.db2.gz OBZCPKSRNJQJNP-UHFFFAOYSA-N -1 0 339.438 3.457 20 30 EGEDRM CCOc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(F)cc2F)cc1 ZINC000042247723 1291438509 /nfs/dbraw/zinc/43/85/09/1291438509.db2.gz XGWNLBLDMCQYSZ-UHFFFAOYSA-N -1 0 341.335 3.057 20 30 EGEDRM O=C1CCCN1c1cccc(C/N=C/c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000044009572 1291467767 /nfs/dbraw/zinc/46/77/67/1291467767.db2.gz HDQJWJJQGILBIK-XDHOZWIPSA-N -1 0 339.351 3.046 20 30 EGEDRM O=C([N-]S(=O)(=O)c1ccccc1)c1ccc(OC(F)(F)F)cc1 ZINC000046708608 1291551864 /nfs/dbraw/zinc/55/18/64/1291551864.db2.gz SLFKWROZJAPPFX-UHFFFAOYSA-N -1 0 345.298 3.279 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)Oc2ccccc2)c(C)c1 ZINC000046930018 1291557484 /nfs/dbraw/zinc/55/74/84/1291557484.db2.gz FZCAYXLBCFJSCT-AWEZNQCLSA-N -1 0 333.409 3.416 20 30 EGEDRM Cc1cccc(OCCC(=O)[N-]S(=O)(=O)c2cccs2)c1C ZINC000048449090 1291605644 /nfs/dbraw/zinc/60/56/44/1291605644.db2.gz PXTDSIKIIJXSCJ-UHFFFAOYSA-N -1 0 339.438 3.479 20 30 EGEDRM O=C(COC1CCCCC1)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000048461346 1291606081 /nfs/dbraw/zinc/60/60/81/1291606081.db2.gz JGHMHWKANGDOHD-UHFFFAOYSA-N -1 0 337.850 3.396 20 30 EGEDRM CC[C@H](C)C(=O)[N-]S(=O)(=O)c1cc(Br)ccc1C ZINC000048487666 1291606751 /nfs/dbraw/zinc/60/67/51/1291606751.db2.gz CCHZVFQEUFFLDB-QMMMGPOBSA-N -1 0 334.235 3.449 20 30 EGEDRM CS[C@@H](C)C(=O)[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000048514953 1291607935 /nfs/dbraw/zinc/60/79/35/1291607935.db2.gz BYUFCMBYNHMEFB-ZETCQYMHSA-N -1 0 327.349 3.102 20 30 EGEDRM Cc1cc2ccccc2n1CC(=O)[N-]S(=O)(=O)c1ccccc1F ZINC000048592454 1291612214 /nfs/dbraw/zinc/61/22/14/1291612214.db2.gz QKOYFFPUWOBRIS-UHFFFAOYSA-N -1 0 346.383 3.434 20 30 EGEDRM C[C@H](Oc1ccccc1)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000048612210 1291613625 /nfs/dbraw/zinc/61/36/25/1291613625.db2.gz ZOISBXUELPMQJC-ZDUSSCGKSA-N -1 0 345.420 3.288 20 30 EGEDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)C=Cc1ccccc1 ZINC000054488151 1291754166 /nfs/dbraw/zinc/75/41/66/1291754166.db2.gz PKNGPPLNWSRDHA-YFHOEESVSA-N -1 0 346.364 3.262 20 30 EGEDRM N#CC(=C([O-])C=Cc1ccc2c(c1)OCO2)c1nc2ccccc2o1 ZINC000054735023 1291762180 /nfs/dbraw/zinc/76/21/80/1291762180.db2.gz IAAWBRWDMAKLID-IYNGYCSASA-N -1 0 332.315 3.446 20 30 EGEDRM CSC[C@H](C)C(=O)[N-]S(=O)(=O)N1c2ccccc2CC[C@@H]1C ZINC000067004114 1292138540 /nfs/dbraw/zinc/13/85/40/1292138540.db2.gz RFMMJMXJQXICPD-RYUDHWBXSA-N -1 0 342.486 3.028 20 30 EGEDRM CCc1ccc([C@@H](C)C(=O)[N-]S(=O)(=O)C[C@H]2CCCCO2)cc1 ZINC000070036551 1292255080 /nfs/dbraw/zinc/25/50/80/1292255080.db2.gz BWESVINFAUGFIC-CZUORRHYSA-N -1 0 339.457 3.208 20 30 EGEDRM C[C@H]1CCCC[C@H]1OCC(=O)[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000073086823 1292305782 /nfs/dbraw/zinc/30/57/82/1292305782.db2.gz RSICDIZREJOYJP-SMDDNHRTSA-N -1 0 329.393 3.066 20 30 EGEDRM CCCc1ccc(S(=O)(=O)[N-]C(=O)c2cc(C(C)C)n(C)n2)cc1 ZINC000080251785 1292591606 /nfs/dbraw/zinc/59/16/06/1292591606.db2.gz WBEZFRKUXZCIMO-UHFFFAOYSA-N -1 0 349.456 3.190 20 30 EGEDRM O=C(CC[C@H]1CCCCO1)[N-]S(=O)(=O)Cc1ccccc1Cl ZINC000083791953 1292690011 /nfs/dbraw/zinc/69/00/11/1292690011.db2.gz ZQNZRGKCKCTEKB-CYBMUJFWSA-N -1 0 345.848 3.476 20 30 EGEDRM COc1ccc([C@H](C)CC(=O)[N-]S(=O)(=O)C2CCCC2)cc1 ZINC000086055621 1292728388 /nfs/dbraw/zinc/72/83/88/1292728388.db2.gz NOJAPAKMOFOEHF-GFCCVEGCSA-N -1 0 325.430 3.418 20 30 EGEDRM CC(C)(C)c1nc(CC(=O)[N-]S(=O)(=O)C2CCCC2)cs1 ZINC000086055725 1292729015 /nfs/dbraw/zinc/72/90/15/1292729015.db2.gz SAZMHZGMYCDANN-UHFFFAOYSA-N -1 0 330.475 3.212 20 30 EGEDRM CC(C)Oc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(C#N)cc2)cc1 ZINC000091127376 1292822337 /nfs/dbraw/zinc/82/23/37/1292822337.db2.gz ZBOVYUBAJWUHEZ-UHFFFAOYSA-N -1 0 344.392 3.039 20 30 EGEDRM CCOCCS(=O)(=O)[N-]C(=O)C[C@@H](C)Cc1ccc(Cl)cc1 ZINC000091443501 1292837296 /nfs/dbraw/zinc/83/72/96/1292837296.db2.gz QLXPRDDYWLJYNU-LBPRGKRZSA-N -1 0 347.864 3.232 20 30 EGEDRM COc1ccc2cc(C(=O)[N-]S(=O)(=O)C3CCCC3)c(C)nc2c1 ZINC000091699027 1292841359 /nfs/dbraw/zinc/84/13/59/1292841359.db2.gz AHSGMVMUAOCCRJ-UHFFFAOYSA-N -1 0 348.424 3.129 20 30 EGEDRM CC(C)C[C@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000107022673 1293058004 /nfs/dbraw/zinc/05/80/04/1293058004.db2.gz YRPYUUOSKPVXQZ-NSHDSACASA-N -1 0 342.848 3.089 20 30 EGEDRM CCC(N=Nc1ccncn1)c1ccc(OCCCCC(=O)[O-])cc1 ZINC000835000996 1293184956 /nfs/dbraw/zinc/18/49/56/1293184956.db2.gz IPJMGBQAMYCXJL-UHFFFAOYSA-N -1 0 342.399 3.337 20 30 EGEDRM C=C[C@H](CC(=O)[N-]S(=O)(=O)CCC1CCCC1)c1ccccc1 ZINC000835947934 1293407947 /nfs/dbraw/zinc/40/79/47/1293407947.db2.gz NFMVUKRETVYYRI-MRXNPFEDSA-N -1 0 335.469 3.373 20 30 EGEDRM Cc1c(C([O-])=C(C#N)C(=O)c2nccn2C)oc2c1c(C)ccc2C ZINC000122780138 1293424266 /nfs/dbraw/zinc/42/42/66/1293424266.db2.gz XQHCLKQCNURGRD-ZDUSSCGKSA-N -1 0 335.363 3.297 20 30 EGEDRM CCc1ccc(-c2ccc(C([O-])=C(C#N)C(=O)c3nccn3C)o2)cc1 ZINC000122910924 1293428710 /nfs/dbraw/zinc/42/87/10/1293428710.db2.gz IXNYDSSBSKSINT-HNNXBMFYSA-N -1 0 347.374 3.448 20 30 EGEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(SC(F)(F)F)cc1 ZINC000124601155 1293480122 /nfs/dbraw/zinc/48/01/22/1293480122.db2.gz BPUVJGAGMIAUKC-LBPRGKRZSA-N -1 0 342.342 3.243 20 30 EGEDRM N#C[C@H](C(=O)Nc1ccccn1)C(=O)c1cc(Cl)cc(Cl)c1 ZINC000126427556 1293534909 /nfs/dbraw/zinc/53/49/09/1293534909.db2.gz GFXZSYRKVMPPSS-LBPRGKRZSA-N -1 0 334.162 3.350 20 30 EGEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1cc2c(s1)CCCC2 ZINC000126665653 1293540737 /nfs/dbraw/zinc/54/07/37/1293540737.db2.gz OPGVNGHYBKCWFQ-HNNXBMFYSA-N -1 0 338.432 3.266 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)[C@H](O)c2cc(Cl)cc(Cl)c2)c1 ZINC000127065177 1293552605 /nfs/dbraw/zinc/55/26/05/1293552605.db2.gz GUXNRKMBXBMUJD-CQSZACIVSA-N -1 0 337.162 3.243 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)C(=O)NC2CC2)c(C)n1-c1cccc(C)c1 ZINC000129117322 1293614390 /nfs/dbraw/zinc/61/43/90/1293614390.db2.gz FSTZDVVWTUUSCR-GOSISDBHSA-N -1 0 335.407 3.004 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2ccccc2OC2CCCC2)C(=O)O1 ZINC000130666864 1293664868 /nfs/dbraw/zinc/66/48/68/1293664868.db2.gz DEBOLEJPTUIXBY-GNISGLHKSA-N -1 0 340.375 3.236 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)C(=O)NC(C)C)c(C)n1C1CCCCC1 ZINC000130890733 1293672163 /nfs/dbraw/zinc/67/21/63/1293672163.db2.gz BEGAHHUNDLFWAQ-KRWDZBQOSA-N -1 0 329.444 3.457 20 30 EGEDRM CC(C)NC(=O)C(C#N)=C([O-])c1cccc(OCc2cccs2)c1 ZINC000131004683 1293675554 /nfs/dbraw/zinc/67/55/54/1293675554.db2.gz IDHHVHGZNZSUHN-MRXNPFEDSA-N -1 0 342.420 3.174 20 30 EGEDRM COc1cc(C)cc2c1OC/C(=C\c1ccc([O-])c([N+](=O)[O-])c1)C2=O ZINC000147725180 1293880578 /nfs/dbraw/zinc/88/05/78/1293880578.db2.gz QGLIPIQSLFKYAS-KPKJPENVSA-N -1 0 341.319 3.276 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2)cnc1Cl ZINC000152755912 1293984328 /nfs/dbraw/zinc/98/43/28/1293984328.db2.gz DFHKBVQQHZHRBY-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM COCCCOc1cccc(/C=C/C(=O)c2ccc(O)cc2[O-])c1 ZINC000156621958 1294152546 /nfs/dbraw/zinc/15/25/46/1294152546.db2.gz FKKQPVYUFYGODF-RMKNXTFCSA-N -1 0 328.364 3.409 20 30 EGEDRM COc1ccc2sc(C([O-])=C(C#N)C(=O)N3CCCC3)c(C)c2c1 ZINC000173936351 1294473965 /nfs/dbraw/zinc/47/39/65/1294473965.db2.gz SOVIUOORQGCLAO-CQSZACIVSA-N -1 0 342.420 3.163 20 30 EGEDRM CC(C)NC(=O)Nc1cccc(C(=O)Nc2cc(C#N)ccc2[O-])c1 ZINC000176821032 1294634132 /nfs/dbraw/zinc/63/41/32/1294634132.db2.gz XEPDWHPYGAFLHY-UHFFFAOYSA-N -1 0 338.367 3.046 20 30 EGEDRM Cc1noc2nc(C3CC3)cc(C(=O)Nc3cc(C#N)ccc3[O-])c12 ZINC000176827829 1294635339 /nfs/dbraw/zinc/63/53/39/1294635339.db2.gz AMYOIBXJNCQAMY-UHFFFAOYSA-N -1 0 334.335 3.238 20 30 EGEDRM Cc1noc2nc(C(C)C)cc(C(=O)Nc3cc(C#N)ccc3[O-])c12 ZINC000176834729 1294637252 /nfs/dbraw/zinc/63/72/52/1294637252.db2.gz ZKJWSQLWANBDID-UHFFFAOYSA-N -1 0 336.351 3.484 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2cnc(-c3cccs3)s2)C(=O)O1 ZINC000177609407 1294680907 /nfs/dbraw/zinc/68/09/07/1294680907.db2.gz SBZAGNZPEIEMIL-NNTXTVRGSA-N -1 0 345.401 3.100 20 30 EGEDRM O=C(/C=C/c1cn2cc(Cl)ccc2n1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000178542509 1294739998 /nfs/dbraw/zinc/73/99/98/1294739998.db2.gz CHRSMRUIFANOGJ-HWKANZROSA-N -1 0 343.726 3.498 20 30 EGEDRM CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C#N)ccc2[O-])c1 ZINC000179741848 1294822707 /nfs/dbraw/zinc/82/27/07/1294822707.db2.gz SCVRPDIKPKKCPW-UHFFFAOYSA-N -1 0 329.337 3.146 20 30 EGEDRM C[C@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1c(F)cccc1F ZINC000183129197 1295101823 /nfs/dbraw/zinc/10/18/23/1295101823.db2.gz MFDLUCDXJSLASP-SNVBAGLBSA-N -1 0 338.335 3.056 20 30 EGEDRM CC#CCCCC(=O)[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1C ZINC000183745885 1295140941 /nfs/dbraw/zinc/14/09/41/1295140941.db2.gz ZRBZWFYKKKCDNI-UHFFFAOYSA-N -1 0 347.358 3.012 20 30 EGEDRM CCN(C)c1ccc(/C=C/C(=O)c2ccc([O-])c([N+](=O)[O-])c2)cn1 ZINC000191328246 1295669813 /nfs/dbraw/zinc/66/98/13/1295669813.db2.gz NYKFPUVQFCUCAI-QPJJXVBHSA-N -1 0 327.340 3.048 20 30 EGEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2sc(C)cc2C)cc1 ZINC000870157672 1295708426 /nfs/dbraw/zinc/70/84/26/1295708426.db2.gz JXNWTGFBCYHSLW-OAHLLOKOSA-N -1 0 342.420 3.012 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(C(F)(F)F)nc1C ZINC000193374519 1295858848 /nfs/dbraw/zinc/85/88/48/1295858848.db2.gz CUEWTXVNTYSAAS-LBPRGKRZSA-N -1 0 341.333 3.038 20 30 EGEDRM COc1ccc(OC)c(C=Nn2c(=S)[n-]nc2-c2ccco2)c1 ZINC000254441595 1296471953 /nfs/dbraw/zinc/47/19/53/1296471953.db2.gz KFYSXAOZGCZKFZ-UHFFFAOYSA-N -1 0 330.369 3.100 20 30 EGEDRM CC(=O)Nc1ccc(/C=C\C(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000255518185 1296540882 /nfs/dbraw/zinc/54/08/82/1296540882.db2.gz ISGPQBQSLIYYHN-YWEYNIOJSA-N -1 0 326.308 3.155 20 30 EGEDRM C=CCC[C@H](NC(=O)C1(c2cccc(OC)c2)CCCC1)C(=O)[O-] ZINC000262981275 1296655187 /nfs/dbraw/zinc/65/51/87/1296655187.db2.gz UJCIUKYBUXHBCA-INIZCTEOSA-N -1 0 331.412 3.043 20 30 EGEDRM C=CCC[C@H](NC(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000263524231 1296688276 /nfs/dbraw/zinc/68/82/76/1296688276.db2.gz IWTZLWGMIGUAMC-RYUDHWBXSA-N -1 0 333.281 3.252 20 30 EGEDRM C=C(Br)CN1CCC(c2nc(C)c(C(=O)[O-])s2)CC1 ZINC000872165334 1296788728 /nfs/dbraw/zinc/78/87/28/1296788728.db2.gz TVEVSUMCJTUBOW-UHFFFAOYSA-N -1 0 345.262 3.238 20 30 EGEDRM Cc1ccccc1[C@H](O)C/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000304062965 1296897618 /nfs/dbraw/zinc/89/76/18/1296897618.db2.gz RDCFLODTLCHEKA-RIEVCORGSA-N -1 0 334.759 3.415 20 30 EGEDRM CC(=NNC[C@@H]1CCCC1(F)F)c1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000872407550 1296940910 /nfs/dbraw/zinc/94/09/10/1296940910.db2.gz WSEAMLUHFFHBFU-JSGCOSHPSA-N -1 0 340.370 3.288 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)cn1 ZINC000690533034 1298130385 /nfs/dbraw/zinc/13/03/85/1298130385.db2.gz IQAWGKCOTUQVJO-UHFFFAOYSA-N -1 0 334.209 3.122 20 30 EGEDRM C[C@@H](Oc1cccc(C=NNCc2ccccc2Cl)c1)C(=O)[O-] ZINC000746680091 1298639991 /nfs/dbraw/zinc/63/99/91/1298639991.db2.gz PSPIYPJUGMHFGR-GFCCVEGCSA-N -1 0 332.787 3.316 20 30 EGEDRM CCn1nc(C)c(C(=O)/C=C/c2ccc(OCCC(=O)[O-])cc2)c1C ZINC000750908777 1299476704 /nfs/dbraw/zinc/47/67/04/1299476704.db2.gz HASQCFJNEBWOKE-JXMROGBWSA-N -1 0 342.395 3.269 20 30 EGEDRM CCOC(=O)C(F)(F)[C@@H]1CCC(N=Nc2ccc(C(=O)[O-])cc2)C1 ZINC000752712984 1299781509 /nfs/dbraw/zinc/78/15/09/1299781509.db2.gz HOQLDXAVODKJSB-LLVKDONJSA-N -1 0 340.326 3.151 20 30 EGEDRM COc1cc2c(c(C=NNc3ccc(C(=O)[O-])cc3)c1)O[C@@H](C)C2 ZINC000755456323 1300342042 /nfs/dbraw/zinc/34/20/42/1300342042.db2.gz VBLUCQTULKWWPG-NSHDSACASA-N -1 0 326.352 3.163 20 30 EGEDRM CC[C@H](C)CN=Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000755758691 1300392287 /nfs/dbraw/zinc/39/22/87/1300392287.db2.gz AJMVBWXDDNQDSP-NSHDSACASA-N -1 0 338.458 3.388 20 30 EGEDRM COc1ccc(O)c(C(=O)/C=C\c2ccc(OCCC(=O)[O-])cc2)c1 ZINC000757467754 1300673544 /nfs/dbraw/zinc/67/35/44/1300673544.db2.gz JTOWUUZCVPTHOQ-YWEYNIOJSA-N -1 0 342.347 3.150 20 30 EGEDRM O=C(/C=C/c1nccn1CC(F)(F)F)c1cc(F)cc(F)c1[O-] ZINC000757471761 1300673999 /nfs/dbraw/zinc/67/39/99/1300673999.db2.gz DQRCLWXXGIIABV-OWOJBTEDSA-N -1 0 332.228 3.325 20 30 EGEDRM O=C(/C=C/c1ccccc1-n1cncn1)c1cc(F)cc(F)c1[O-] ZINC000757476344 1300676232 /nfs/dbraw/zinc/67/62/32/1300676232.db2.gz QCYDNUGUQPGMLX-AATRIKPKSA-N -1 0 327.290 3.147 20 30 EGEDRM CC(=O)Nc1ccc(/C=C\C(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000759091749 1301013344 /nfs/dbraw/zinc/01/33/44/1301013344.db2.gz SQAPRXXRELXBRE-YWEYNIOJSA-N -1 0 326.308 3.155 20 30 EGEDRM CCC[C@@H](C)C(=O)C(C#N)=C([O-])c1c(C)[nH]c(C)c1C(=O)OCC ZINC000759236037 1301046601 /nfs/dbraw/zinc/04/66/01/1301046601.db2.gz GWBKNXJCMPCGBA-ZWNOBZJWSA-N -1 0 332.400 3.136 20 30 EGEDRM CC(C)(C(=O)Nc1cc(C#N)ccc1[O-])c1ccc([N+](=O)[O-])cc1 ZINC000759713036 1301146358 /nfs/dbraw/zinc/14/63/58/1301146358.db2.gz DZQNLEHFLMPUCX-UHFFFAOYSA-N -1 0 325.324 3.088 20 30 EGEDRM C[C@H](Oc1cccc(C=NNCc2cnc3ccccc3c2)c1)C(=O)[O-] ZINC000764787160 1302136760 /nfs/dbraw/zinc/13/67/60/1302136760.db2.gz ANPVAIGZCCHMOS-AWEZNQCLSA-N -1 0 349.390 3.210 20 30 EGEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1ccc(-c2ccco2)s1 ZINC000766263068 1302417976 /nfs/dbraw/zinc/41/79/76/1302417976.db2.gz ALGXFYKZRZAJMD-GFCCVEGCSA-N -1 0 328.393 3.389 20 30 EGEDRM O=C([O-])COc1cccc(C(=O)/C=C\c2ccc(-n3cccn3)cc2)c1 ZINC000884104462 1302735774 /nfs/dbraw/zinc/73/57/74/1302735774.db2.gz MJBUCRWPCCAUEH-YFHOEESVSA-N -1 0 348.358 3.232 20 30 EGEDRM COc1cc(/C=C/C(=O)c2cc(F)cc(F)c2[O-])ccc1[N+](=O)[O-] ZINC000770571198 1303286518 /nfs/dbraw/zinc/28/65/18/1303286518.db2.gz CBQIQGJTFNGSKW-HWKANZROSA-N -1 0 335.262 3.483 20 30 EGEDRM CCCCCC[C@@H](C)CC(=O)[N-]S(=O)(=O)CC1(C#N)CCC1 ZINC000771075961 1303357281 /nfs/dbraw/zinc/35/72/81/1303357281.db2.gz NRTVYTLDQXGXFK-CQSZACIVSA-N -1 0 328.478 3.123 20 30 EGEDRM CC[C@@H](CC(=O)[N-]S(=O)(=O)CC1(C#N)CCC1)c1ccc(C)cc1 ZINC000771082312 1303357728 /nfs/dbraw/zinc/35/77/28/1303357728.db2.gz YURUQNQWAUEYBJ-HNNXBMFYSA-N -1 0 348.468 3.019 20 30 EGEDRM CC(C)Cn1ccc2c1cccc2C([O-])=C(C#N)C(=O)NC(C)C ZINC000774049514 1303768862 /nfs/dbraw/zinc/76/88/62/1303768862.db2.gz AXPSYYPRPCBMOX-MRXNPFEDSA-N -1 0 325.412 3.144 20 30 EGEDRM CC(=NOC1CCOCC1)c1cc(Br)cc(F)c1[O-] ZINC000774450579 1303811737 /nfs/dbraw/zinc/81/17/37/1303811737.db2.gz IJLURPMFLIUDBF-UHFFFAOYSA-N -1 0 332.169 3.213 20 30 EGEDRM C=CCNC(=O)C(C#N)=C([O-])c1sc(C2CCCCC2)nc1C ZINC000775226435 1303926535 /nfs/dbraw/zinc/92/65/35/1303926535.db2.gz DKIJJGRUBQSXNM-ZDUSSCGKSA-N -1 0 331.441 3.124 20 30 EGEDRM Cc1nc(C2CCCCC2)sc1C([O-])=C(C#N)C(=O)NC(C)C ZINC000775227306 1303927146 /nfs/dbraw/zinc/92/71/46/1303927146.db2.gz NMQRKWXTFRAZSJ-ZDUSSCGKSA-N -1 0 333.457 3.346 20 30 EGEDRM N#CC(=C([O-])c1cccc(C2OCCO2)c1)c1nc2ccccc2o1 ZINC000775233304 1303927770 /nfs/dbraw/zinc/92/77/70/1303927770.db2.gz MQBXAKOOORLDPY-AWEZNQCLSA-N -1 0 334.331 3.363 20 30 EGEDRM C#CCOc1ccccc1[N-]S(=O)(=O)c1ccc(OC(C)C)cc1 ZINC000775298288 1303936447 /nfs/dbraw/zinc/93/64/47/1303936447.db2.gz OOLBCPRUXJOOTO-UHFFFAOYSA-N -1 0 345.420 3.287 20 30 EGEDRM O=C([O-])CCOc1ccc(/C=C\C(=O)c2ccnc(Cl)c2)cc1 ZINC000779461113 1304575026 /nfs/dbraw/zinc/57/50/26/1304575026.db2.gz VUKARWGQNVZNIT-UTCJRWHESA-N -1 0 331.755 3.485 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)C2C[C@H](C)C[C@@H](C)C2)n1 ZINC000780232246 1304658963 /nfs/dbraw/zinc/65/89/63/1304658963.db2.gz KOTJXFXUQHWLTK-JTNHKYCSSA-N -1 0 334.441 3.243 20 30 EGEDRM COc1cc(C=NOCc2ccccc2)ccc1OCCC(=O)[O-] ZINC000783821771 1305149168 /nfs/dbraw/zinc/14/91/68/1305149168.db2.gz QOACPHPMXWNTPX-UHFFFAOYSA-N -1 0 329.352 3.099 20 30 EGEDRM C=C[C@H](CC(=O)[N-]S(=O)(=O)Cc1cccc(F)c1)c1ccccc1 ZINC000785256886 1305328837 /nfs/dbraw/zinc/32/88/37/1305328837.db2.gz UJEBQSPMYQBLDT-OAHLLOKOSA-N -1 0 347.411 3.132 20 30 EGEDRM C=CC(C)(C)CC(=O)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000892421575 1305363523 /nfs/dbraw/zinc/36/35/23/1305363523.db2.gz GAALFGLNQRGLNU-UHFFFAOYSA-N -1 0 336.240 3.401 20 30 EGEDRM CC(C)Cn1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Cl)n1 ZINC000892488988 1305401264 /nfs/dbraw/zinc/40/12/64/1305401264.db2.gz BPBUWNAMFGWUIW-LBPRGKRZSA-N -1 0 344.802 3.154 20 30 EGEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2cncc3ccccc32)c1 ZINC000786549502 1305595006 /nfs/dbraw/zinc/59/50/06/1305595006.db2.gz RERUUDSTQRGJGL-SFHVURJKSA-N -1 0 343.386 3.182 20 30 EGEDRM C=C[C@@H](CC(=O)[N-]S(=O)(=O)c1ccccc1CC)c1ccccc1 ZINC000786655884 1305615930 /nfs/dbraw/zinc/61/59/30/1305615930.db2.gz RXWJKCNOGXIUAG-INIZCTEOSA-N -1 0 343.448 3.414 20 30 EGEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1ccc2cc[nH]c2n1)c1ccccc1 ZINC000787040632 1305681603 /nfs/dbraw/zinc/68/16/03/1305681603.db2.gz WDKCGXLXQVQEQU-HZPDHXFCSA-N -1 0 346.390 3.153 20 30 EGEDRM CC(C)Cn1ccc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)n1 ZINC000893062253 1305685139 /nfs/dbraw/zinc/68/51/39/1305685139.db2.gz NTUMLQRWFUSZGR-LBPRGKRZSA-N -1 0 336.317 3.443 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2cccc(Cl)c2C)n1 ZINC000787077527 1305685822 /nfs/dbraw/zinc/68/58/22/1305685822.db2.gz JRPGYORBQGCEFF-GFCCVEGCSA-N -1 0 348.811 3.447 20 30 EGEDRM N#Cc1ccc2c(c1)CC[C@H]2NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000787843112 1305811055 /nfs/dbraw/zinc/81/10/55/1305811055.db2.gz JMYURHSJBFLSTN-CQSZACIVSA-N -1 0 335.388 3.405 20 30 EGEDRM CC#CCS(=O)(=O)[N-]C(=O)c1cc2sc3ccccc3c2s1 ZINC000788067516 1305858727 /nfs/dbraw/zinc/85/87/27/1305858727.db2.gz FSELTXGZNAAHSX-UHFFFAOYSA-N -1 0 349.458 3.199 20 30 EGEDRM C=CCC(CC=C)C(=O)[N-]S(=O)(=O)c1cc(C)ccc1Cl ZINC000893696952 1306034825 /nfs/dbraw/zinc/03/48/25/1306034825.db2.gz AXJYXMYBFTUHOR-UHFFFAOYSA-N -1 0 327.833 3.222 20 30 EGEDRM Cc1ccc2nc(/C=C/C(=O)c3cccc(OCC(=O)[O-])c3)cn2c1 ZINC000789130318 1306096743 /nfs/dbraw/zinc/09/67/43/1306096743.db2.gz OACUOGFXQZNFGK-VOTSOKGWSA-N -1 0 336.347 3.002 20 30 EGEDRM O=c1[nH]c(NN=Cc2c(O)ccc(Cl)c2F)nc2ccccc12 ZINC000790166734 1306270669 /nfs/dbraw/zinc/27/06/69/1306270669.db2.gz AFIRRLGEBQBDGQ-UHFFFAOYSA-N -1 0 332.722 3.280 20 30 EGEDRM CC(=NNc1nccn1C)c1cc(Br)cc(Cl)c1[O-] ZINC000790300411 1306292962 /nfs/dbraw/zinc/29/29/62/1306292962.db2.gz XURHCIJRONWFSD-UHFFFAOYSA-N -1 0 343.612 3.378 20 30 EGEDRM CC[C@@H](NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C(=O)[O-] ZINC000793072065 1309290410 /nfs/dbraw/zinc/29/04/10/1309290410.db2.gz LPGOWAMQXUNQLX-CYBMUJFWSA-N -1 0 333.369 3.110 20 30 EGEDRM O=C([O-])CCOc1cccc(/C=C2/COc3cc(F)ccc3C2=O)c1 ZINC000794726588 1309583921 /nfs/dbraw/zinc/58/39/21/1309583921.db2.gz CHYLNNSESNHNHD-JYRVWZFOSA-N -1 0 342.322 3.338 20 30 EGEDRM C[C@H](Oc1cccc(C(=O)/C=C\c2c(F)ccc(O)c2F)c1)C(=O)[O-] ZINC000794935779 1309626177 /nfs/dbraw/zinc/62/61/77/1309626177.db2.gz UKRACRUUASMYCF-BXKUYDPTSA-N -1 0 348.301 3.418 20 30 EGEDRM COc1cc2c(cc1OC)C(=O)/C(=C\c1cc([O-])ccc1[N+](=O)[O-])C2 ZINC000794961310 1309633380 /nfs/dbraw/zinc/63/33/80/1309633380.db2.gz NCMOJJCWZUIGOC-SDQBBNPISA-N -1 0 341.319 3.140 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1c[nH]c(C(F)(F)F)c1 ZINC000796743401 1310077919 /nfs/dbraw/zinc/07/79/19/1310077919.db2.gz XHJMMQNOQZCHLQ-LLVKDONJSA-N -1 0 329.322 3.052 20 30 EGEDRM C[C@@H](CN=Nc1ccc(Cl)c(C(=O)[O-])c1)NC(=O)OC(C)(C)C ZINC000799105474 1310486914 /nfs/dbraw/zinc/48/69/14/1310486914.db2.gz YNXQXNMWUODESU-VIFPVBQESA-N -1 0 341.795 3.349 20 30 EGEDRM Cc1cccc(Oc2ccc(C([O-])=C(C#N)C(=O)N3CCCC3)nc2)c1 ZINC000838788137 1320816168 /nfs/dbraw/zinc/81/61/68/1320816168.db2.gz SCGKEQPYSLEITQ-QGZVFWFLSA-N -1 0 349.390 3.127 20 30 EGEDRM CC(C)Oc1ccc(C(=O)[O-])cc1C(C)N=Nc1ncc(Cl)cn1 ZINC000857220863 1328524940 /nfs/dbraw/zinc/52/49/40/1328524940.db2.gz OTPSOEAEZVXWCK-UHFFFAOYSA-N -1 0 348.790 3.452 20 30 EGEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N/CCOC2CCSCC2)c1[O-] ZINC000899233643 1316972157 /nfs/dbraw/zinc/97/21/57/1316972157.db2.gz LOOMJXGCAFVKJF-CXUHLZMHSA-N -1 0 344.820 3.285 20 30 EGEDRM COc1ccc(C(=O)/C=C/c2cnn(C3CCC3)c2)cc1CC(=O)[O-] ZINC000899343011 1316996301 /nfs/dbraw/zinc/99/63/01/1316996301.db2.gz MBOKKEJNSYTYHA-FNORWQNLSA-N -1 0 340.379 3.140 20 30 EGEDRM C=CCC[C@@H](NC(=O)Nc1ccc(N2CCCC2)cc1C)C(=O)[O-] ZINC000900324802 1317272984 /nfs/dbraw/zinc/27/29/84/1317272984.db2.gz ZXEMMDGZSDYAKV-MRXNPFEDSA-N -1 0 331.416 3.136 20 30 EGEDRM CCOc1cc(C#N)cc(-c2ccc([C@H](C)O)cc2)c1OCC(=O)[O-] ZINC000901065168 1317378985 /nfs/dbraw/zinc/37/89/85/1317378985.db2.gz REJQXFHGZZYQNP-LBPRGKRZSA-N -1 0 341.363 3.141 20 30 EGEDRM COc1cc(OC)c(OC)cc1/C=C/C(=O)c1cccc(C(=O)[O-])c1 ZINC000806559170 1317501106 /nfs/dbraw/zinc/50/11/06/1317501106.db2.gz VSZOBURMMCZUPE-BQYQJAHWSA-N -1 0 342.347 3.307 20 30 EGEDRM COc1ccc(/C=C2\C[C@@H](C(=O)[O-])c3ccccc3C2=O)cc1C#N ZINC000806560418 1317501331 /nfs/dbraw/zinc/50/13/31/1317501331.db2.gz LPGCLGGHEQVCSF-MSGBMKDASA-N -1 0 333.343 3.405 20 30 EGEDRM CCCC1N=NC(=S)N1N=Cc1cc(Cl)cc(Cl)c1[O-] ZINC000808007555 1317612200 /nfs/dbraw/zinc/61/22/00/1317612200.db2.gz DXSRHXVGZCWXTG-UHFFFAOYSA-N -1 0 331.228 3.414 20 30 EGEDRM C=C[C@H](CC(=O)[N-]S(=O)(=O)Cc1ccc(C)cc1)c1ccccc1 ZINC000809065393 1317765848 /nfs/dbraw/zinc/76/58/48/1317765848.db2.gz BHWDURCLRNDDLD-QGZVFWFLSA-N -1 0 343.448 3.301 20 30 EGEDRM COC(=O)C12CCC(C(=O)N(O)Cc3ccccc3Cl)(CC1)C2 ZINC000904190832 1317806747 /nfs/dbraw/zinc/80/67/47/1317806747.db2.gz RFSFXEWJZKMFNL-UHFFFAOYSA-N -1 0 337.803 3.181 20 30 EGEDRM C#Cc1ccccc1CC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000810881624 1318073107 /nfs/dbraw/zinc/07/31/07/1318073107.db2.gz XASJNRFFQTYMQB-UHFFFAOYSA-N -1 0 330.727 3.116 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2cc(CCC)c(C)s2)CC1 ZINC000810982341 1318085293 /nfs/dbraw/zinc/08/52/93/1318085293.db2.gz OUXDHEHNVBCCIS-UHFFFAOYSA-N -1 0 327.471 3.177 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2cc(C)c(Cl)cc2C)CC1 ZINC000810984116 1318086430 /nfs/dbraw/zinc/08/64/30/1318086430.db2.gz RZWFOKZNROMKKT-UHFFFAOYSA-N -1 0 327.833 3.125 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)C2(c3ccccc3)CCCC2)CC1 ZINC000810985415 1318087028 /nfs/dbraw/zinc/08/70/28/1318087028.db2.gz LAKWASDKOYFSBD-UHFFFAOYSA-N -1 0 333.453 3.053 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)CC1 ZINC000810985776 1318087168 /nfs/dbraw/zinc/08/71/68/1318087168.db2.gz GRXAJUGUVPOIDO-NXEZZACHSA-N -1 0 345.873 3.060 20 30 EGEDRM C=C(C)[C@H](CC(=O)Nc1ccc2c(ccn2CC(=O)[O-])c1)OCC ZINC000909186578 1318445292 /nfs/dbraw/zinc/44/52/92/1318445292.db2.gz ISLIEYJOMLFCTE-INIZCTEOSA-N -1 0 330.384 3.036 20 30 EGEDRM C#CCO[N-]C(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1 ZINC000812784742 1318454043 /nfs/dbraw/zinc/45/40/43/1318454043.db2.gz GIXQBXDYOXBYTI-UHFFFAOYSA-N -1 0 341.219 3.340 20 30 EGEDRM C=CCC[C@H](NC(=O)c1cnn(C2CCCC2)c1CCC)C(=O)[O-] ZINC000909716530 1318519561 /nfs/dbraw/zinc/51/95/61/1318519561.db2.gz SRLQJPFTYYSKCP-HNNXBMFYSA-N -1 0 333.432 3.100 20 30 EGEDRM C=CCCCCCCCNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000813257188 1318522940 /nfs/dbraw/zinc/52/29/40/1318522940.db2.gz SZKSAZOIWJMAHD-UHFFFAOYSA-N -1 0 344.415 3.001 20 30 EGEDRM Cc1ccc(NC(=S)NN=C2CC[C@H](C(=O)[O-])C[C@H]2C)cc1C ZINC000814713615 1318803345 /nfs/dbraw/zinc/80/33/45/1318803345.db2.gz SCJRSIHXHXNFGH-OLZOCXBDSA-N -1 0 333.457 3.467 20 30 EGEDRM O=C([O-])C1(c2ccccc2)CC(=NNCCCOc2ccccc2)C1 ZINC000814838203 1318828305 /nfs/dbraw/zinc/82/83/05/1318828305.db2.gz DIVYALAKXDNCFN-UHFFFAOYSA-N -1 0 338.407 3.218 20 30 EGEDRM CC(CCc1ccc(O[C@H](C)C(=O)[O-])cc1)=NO[C@H]1CCCCO1 ZINC000814886871 1318839873 /nfs/dbraw/zinc/83/98/73/1318839873.db2.gz FYIPWISJZJEQKN-PBHICJAKSA-N -1 0 335.400 3.390 20 30 EGEDRM COc1cc(F)ccc1N=NC1CC(C(=O)[O-])(c2ccccc2)C1 ZINC000814915852 1318847526 /nfs/dbraw/zinc/84/75/26/1318847526.db2.gz KEFXCMKIFAVTEN-UHFFFAOYSA-N -1 0 328.343 3.419 20 30 EGEDRM COc1ccccc1CON=C1CC(C(=O)[O-])(c2ccccc2)C1 ZINC000814923254 1318850189 /nfs/dbraw/zinc/85/01/89/1318850189.db2.gz DJJAKZLHZSVVME-UHFFFAOYSA-N -1 0 325.364 3.384 20 30 EGEDRM C[C@H](COc1ccccc1)NN=Cc1cccc(C(=O)[O-])c1Cl ZINC000814933889 1318852979 /nfs/dbraw/zinc/85/29/79/1318852979.db2.gz DPSBDIYERASXEE-GFCCVEGCSA-N -1 0 332.787 3.429 20 30 EGEDRM CC[C@H](NN=C(C)c1sc(-c2ccc(F)cc2)nc1C)C(=O)[O-] ZINC000814936599 1318854831 /nfs/dbraw/zinc/85/48/31/1318854831.db2.gz BBXOHLLXYOAHCM-ZDUSSCGKSA-N -1 0 335.404 3.434 20 30 EGEDRM O=C([O-])C1(c2cccc(Br)c2)CC(=NOCC2CC2)C1 ZINC000814941420 1318856011 /nfs/dbraw/zinc/85/60/11/1318856011.db2.gz WGXQGPZKCRTVGN-UHFFFAOYSA-N -1 0 338.201 3.348 20 30 EGEDRM C=CCC(C)(C)c1noc(-c2ccc3c(c2)[n-]c(=S)n(C)c3=O)n1 ZINC000815708241 1319045828 /nfs/dbraw/zinc/04/58/28/1319045828.db2.gz MJARLSSWUZTMOW-UHFFFAOYSA-N -1 0 342.424 3.126 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cnc2c(F)ccc(F)c2c1 ZINC000815905392 1319071244 /nfs/dbraw/zinc/07/12/44/1319071244.db2.gz LQBXOLSDQCIOGC-CYBMUJFWSA-N -1 0 345.349 3.142 20 30 EGEDRM CC(C)(C)Oc1ccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)nc1 ZINC000815906513 1319071444 /nfs/dbraw/zinc/07/14/44/1319071444.db2.gz BNIVOVZGSZYXNY-OAHLLOKOSA-N -1 0 343.427 3.030 20 30 EGEDRM NC(=O)[C@H]1CC[C@H](C/N=C/c2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000817708059 1319426862 /nfs/dbraw/zinc/42/68/62/1319426862.db2.gz RTWLVCFXZFYONM-KQIRGEJUSA-N -1 0 329.227 3.410 20 30 EGEDRM Cc1nnc(NN=Cc2c(Cl)ccc(Cl)c2Cl)[n-]c1=O ZINC000818231068 1319524352 /nfs/dbraw/zinc/52/43/52/1319524352.db2.gz UGUGSQQDNPVHBL-UHFFFAOYSA-N -1 0 332.578 3.292 20 30 EGEDRM O=C([O-])Cc1ccc(C(=O)/C=C/c2ccc(-n3cccn3)cc2)cc1 ZINC000915988149 1319578881 /nfs/dbraw/zinc/57/88/81/1319578881.db2.gz QLPSQJACSVXGNJ-IZZDOVSWSA-N -1 0 332.359 3.396 20 30 EGEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N\Cc2ccccc2[N+](=O)[O-])c1[O-] ZINC000915982915 1319579766 /nfs/dbraw/zinc/57/97/66/1319579766.db2.gz IADMGHZQJDIHIX-PXNMLYILSA-N -1 0 335.703 3.481 20 30 EGEDRM CCCCCCCCC(=O)[N-]S(=O)(=O)N(C)Cc1ccccc1 ZINC000916824240 1319711061 /nfs/dbraw/zinc/71/10/61/1319711061.db2.gz IRTFBGTVVPISPQ-UHFFFAOYSA-N -1 0 340.489 3.230 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1nc(-c2cccs2)oc1C ZINC000916878511 1319719178 /nfs/dbraw/zinc/71/91/78/1319719178.db2.gz ZPLIYSKDNZCUEW-GFCCVEGCSA-N -1 0 345.424 3.340 20 30 EGEDRM C=CCNC(=O)C(C#N)=C([O-])c1csc(-c2ccc(Cl)cc2)n1 ZINC000916917308 1319724208 /nfs/dbraw/zinc/72/42/08/1319724208.db2.gz IDWCRAMJHFZOMB-LBPRGKRZSA-N -1 0 345.811 3.088 20 30 EGEDRM C=CCNC(=O)C(C#N)=C([O-])c1ccc(-c2ccccc2Cl)o1 ZINC000916918032 1319724387 /nfs/dbraw/zinc/72/43/87/1319724387.db2.gz OVNJVFGBTUZLGI-GFCCVEGCSA-N -1 0 328.755 3.225 20 30 EGEDRM C=CCNC(=O)C(C#N)=C([O-])c1cc2c(s1)-c1ccccc1CC2 ZINC000916918041 1319725037 /nfs/dbraw/zinc/72/50/37/1319725037.db2.gz PBCDYGKAQVQGQQ-OAHLLOKOSA-N -1 0 336.416 3.138 20 30 EGEDRM CC(C)NC(=O)C(C#N)=C([O-])c1ccc2[nH]c3c(c2c1)CCCCC3 ZINC000916951052 1319727757 /nfs/dbraw/zinc/72/77/57/1319727757.db2.gz DNIAWQRKKUNVOZ-MRXNPFEDSA-N -1 0 337.423 3.284 20 30 EGEDRM CCCCc1oc2ccccc2c1C=NNc1nnc(C)c(=O)[n-]1 ZINC000917210021 1319769730 /nfs/dbraw/zinc/76/97/30/1319769730.db2.gz JLXXXEWYLBWKCA-UHFFFAOYSA-N -1 0 325.372 3.420 20 30 EGEDRM COc1ccc(Cl)cc1C=Nn1c(=S)[n-]nc1C(F)(F)F ZINC000917534852 1319830582 /nfs/dbraw/zinc/83/05/82/1319830582.db2.gz PTJWUZSKCXIBMP-UHFFFAOYSA-N -1 0 336.726 3.130 20 30 EGEDRM CCCCCCCC(=O)[N-]S(=O)(=O)Cc1ccc2c(c1)COC2 ZINC000821784006 1320032527 /nfs/dbraw/zinc/03/25/27/1320032527.db2.gz GPNRBYCSQOUJSX-UHFFFAOYSA-N -1 0 339.457 3.023 20 30 EGEDRM CCCCCCCS(=O)(=O)[N-]c1ncc(-c2cnccn2)s1 ZINC000841503764 1321279954 /nfs/dbraw/zinc/27/99/54/1321279954.db2.gz PYOOIXCNQKRMHR-UHFFFAOYSA-N -1 0 340.474 3.312 20 30 EGEDRM CC[C@H](/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-])C(=O)OC(C)(C)C ZINC000843265031 1321495437 /nfs/dbraw/zinc/49/54/37/1321495437.db2.gz STFQVJUCMUPQRJ-CPWFCVNUSA-N -1 0 342.779 3.493 20 30 EGEDRM C#CC1CCN(C(=O)c2cc(Br)cc(Cl)c2[O-])CC1 ZINC000844149134 1321574233 /nfs/dbraw/zinc/57/42/33/1321574233.db2.gz MJBDLAQTOMDALT-UHFFFAOYSA-N -1 0 342.620 3.294 20 30 EGEDRM Cc1c(N=NC2CC[C@@H](C)C[C@@H]2n2cncn2)cccc1C(=O)[O-] ZINC000844622863 1321626375 /nfs/dbraw/zinc/62/63/75/1321626375.db2.gz IQORQMIXZCSMEF-BZNIZROVSA-N -1 0 327.388 3.114 20 30 EGEDRM COCCOCc1ccc(C=NNc2cccc(C(=O)[O-])c2C)cc1 ZINC000844622526 1321626425 /nfs/dbraw/zinc/62/64/25/1321626425.db2.gz FJQLEUOUMJBLHT-UHFFFAOYSA-N -1 0 342.395 3.302 20 30 EGEDRM CCCCCCCCCS(=O)(=O)[N-]c1c(C#N)cnn1CC ZINC000844825977 1321648291 /nfs/dbraw/zinc/64/82/91/1321648291.db2.gz OLUWCHBROFPQOK-UHFFFAOYSA-N -1 0 326.466 3.267 20 30 EGEDRM CC(C)NC(=O)C(C#N)=C([O-])c1cnc(-c2cccc(Cl)c2)s1 ZINC000845442421 1321708281 /nfs/dbraw/zinc/70/82/81/1321708281.db2.gz FTLMFLTVJHRCPV-GFCCVEGCSA-N -1 0 347.827 3.311 20 30 EGEDRM C=C(C)CO[N-]C(=O)C(=O)Nc1cccc(COC(C)(C)CC)c1C ZINC000846145714 1321771541 /nfs/dbraw/zinc/77/15/41/1321771541.db2.gz GSTDDALATDQZDA-UHFFFAOYSA-N -1 0 348.443 3.263 20 30 EGEDRM C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cc(Cl)ccc1SC(C)C ZINC000846154689 1321772731 /nfs/dbraw/zinc/77/27/31/1321772731.db2.gz PLULAVOMCGWVNO-SNVBAGLBSA-N -1 0 342.848 3.401 20 30 EGEDRM C=C[C@@H](C)O[N-]C(=O)CSc1ccc(Br)cc1C ZINC000846540784 1321791815 /nfs/dbraw/zinc/79/18/15/1321791815.db2.gz ACGGVAQBGIVKQI-SNVBAGLBSA-N -1 0 330.247 3.472 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cccc2c1OC(C)(C)C2 ZINC000847622234 1321885164 /nfs/dbraw/zinc/88/51/64/1321885164.db2.gz DXKDYTUQZJKESX-OAHLLOKOSA-N -1 0 328.412 3.029 20 30 EGEDRM CCOCc1cc(C=NNc2ccc(CC(=O)[O-])cc2)ccc1OC ZINC000848414656 1321958390 /nfs/dbraw/zinc/95/83/90/1321958390.db2.gz AYYKSFCEIQBSTQ-UHFFFAOYSA-N -1 0 342.395 3.305 20 30 EGEDRM O=C([O-])c1ccc(/C=C2/S/C(=N\C3CCCC3)NC2=O)cc1F ZINC000849243502 1322100799 /nfs/dbraw/zinc/10/07/99/1322100799.db2.gz ULQFARIYAZOPEO-MDWZMJQESA-N -1 0 334.372 3.026 20 30 EGEDRM Cc1cccc(-c2ccc(CN3C(=O)CC[C@@H]3C(=O)[O-])cc2)c1C#N ZINC000849476574 1322123973 /nfs/dbraw/zinc/12/39/73/1322123973.db2.gz UPIYOASOJBFPNR-GOSISDBHSA-N -1 0 334.375 3.109 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2c(C)cc(F)cc2C)n1 ZINC000849983947 1322176499 /nfs/dbraw/zinc/17/64/99/1322176499.db2.gz LOHAAHIULKDTKW-CYBMUJFWSA-N -1 0 346.383 3.241 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])[C@]2(C(=O)OC(C)(C)C)CC2(C)C)n1 ZINC000850736686 1322281242 /nfs/dbraw/zinc/28/12/42/1322281242.db2.gz LMFVCXDLWXEVEW-DIFFPNOSSA-N -1 0 334.441 3.386 20 30 EGEDRM CCCCCCCC[C@H](C)C(=O)[N-]S(=O)(=O)C[C@H]1CCCOC1 ZINC000851018589 1322324284 /nfs/dbraw/zinc/32/42/84/1322324284.db2.gz OYXUVBAJPYNALN-HOTGVXAUSA-N -1 0 347.521 3.246 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@@H]2Cc2ccccc2)CC1 ZINC000851031300 1322325900 /nfs/dbraw/zinc/32/59/00/1322325900.db2.gz BBUDXERNCCEQES-IAGOWNOFSA-N -1 0 347.480 3.200 20 30 EGEDRM N#CCCCC(=O)O[C@H]1C[C@H]([N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000851179082 1322346534 /nfs/dbraw/zinc/34/65/34/1322346534.db2.gz PEEYDGQVDKREJU-STQMWFEESA-N -1 0 340.301 3.088 20 30 EGEDRM CC(C)(C#N)C(=O)N1CCC([C@@H](CC(=O)[O-])c2ccccc2)CC1 ZINC000923087943 1322689470 /nfs/dbraw/zinc/68/94/70/1322689470.db2.gz CPOJQFMWIUINME-INIZCTEOSA-N -1 0 328.412 3.033 20 30 EGEDRM C=C(C)[C@H](CC(=O)Nc1cc(C(=O)[O-])cc2cccnc21)OCC ZINC000923119369 1322695922 /nfs/dbraw/zinc/69/59/22/1322695922.db2.gz MDDBCWYJMCLTFE-HNNXBMFYSA-N -1 0 328.368 3.243 20 30 EGEDRM C=CC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(OC2CCCC2)cc1 ZINC000851472083 1323049650 /nfs/dbraw/zinc/04/96/50/1323049650.db2.gz KDOJCXIFMHRVJJ-UHFFFAOYSA-N -1 0 337.441 3.025 20 30 EGEDRM CCC(CC)(CNc1cc(Br)cnc1C#N)C(=O)[O-] ZINC000852909433 1323252211 /nfs/dbraw/zinc/25/22/11/1323252211.db2.gz YJOWPEZJVLYTLI-UHFFFAOYSA-N -1 0 326.194 3.019 20 30 EGEDRM C=CCC[C@H](NC(=O)N[C@H](C)c1cccc(N2CCCC2)c1)C(=O)[O-] ZINC000929050597 1328496579 /nfs/dbraw/zinc/49/65/79/1328496579.db2.gz YBBIVQWZLRTBDZ-PBHICJAKSA-N -1 0 345.443 3.066 20 30 EGEDRM COc1cc(C=NNCC(F)(F)C(F)(F)F)cc(Cl)c1O ZINC000863179642 1329532153 /nfs/dbraw/zinc/53/21/53/1329532153.db2.gz NHLXLJMHYDSSSB-UHFFFAOYSA-N -1 0 332.656 3.175 20 30 EGEDRM O=C([O-])c1cc(/C=C2/S/C(=N\C3CCCC3)NC2=O)ccc1F ZINC000863180237 1329532177 /nfs/dbraw/zinc/53/21/77/1329532177.db2.gz HVJBMRVXEKEMJI-MDWZMJQESA-N -1 0 334.372 3.026 20 30 EGEDRM Cc1nc(C2CCN(c3ccc(C#N)cc3)CC2)sc1C(=O)[O-] ZINC000864515179 1329620948 /nfs/dbraw/zinc/62/09/48/1329620948.db2.gz JNCDPLQHIZXKIY-UHFFFAOYSA-N -1 0 327.409 3.405 20 30 EGEDRM O=C(c1cccc(F)c1[O-])N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000933061779 1329857717 /nfs/dbraw/zinc/85/77/17/1329857717.db2.gz DHZSZHOWYSSXJR-UHFFFAOYSA-N -1 0 345.214 3.488 20 30 EGEDRM N#C[C@@H]1CCCCN1C(=O)CCC(=O)C=C([O-])c1ccc(Cl)cc1 ZINC001184120440 1387395896 /nfs/dbraw/zinc/39/58/96/1387395896.db2.gz SUSQRYRDAXZWAQ-HNNXBMFYSA-N -1 0 346.814 3.167 20 30 EGEDRM CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)c2occ(C)c2C)C1=O ZINC001323623229 1387409293 /nfs/dbraw/zinc/40/92/93/1387409293.db2.gz QOMLECVRASWJDX-GOSISDBHSA-N -1 0 349.431 3.212 20 30 EGEDRM COc1cc(OC)c(NC(=O)CCC(=O)C2=CC=C[CH]2)cc1Cl ZINC001184241896 1387418521 /nfs/dbraw/zinc/41/85/21/1387418521.db2.gz SWXPXNPJOUJCCN-UHFFFAOYSA-N -1 0 334.779 3.345 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2cnc(C#N)c(Cl)c2)ccc1Cl ZINC001185496177 1387732196 /nfs/dbraw/zinc/73/21/96/1387732196.db2.gz HATAOYHFGOSRGL-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM COc1ccc(C#N)c([N-]S(=O)(=O)c2ccc(Cl)c(C)c2)c1 ZINC001185525309 1387738526 /nfs/dbraw/zinc/73/85/26/1387738526.db2.gz WRBAMNAAQPWBPS-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM N#Cc1ccnc([N-]S(=O)(=O)c2ccc(F)c3ccccc32)c1 ZINC001189349054 1366999143 /nfs/dbraw/zinc/99/91/43/1366999143.db2.gz SXIXBSLEDJLDQX-UHFFFAOYSA-N -1 0 327.340 3.046 20 30 EGEDRM N#Cc1cccnc1[N-]S(=O)(=O)c1ccc(F)c2ccccc21 ZINC001189356144 1367001717 /nfs/dbraw/zinc/00/17/17/1367001717.db2.gz MJLGJNQPKNDOER-UHFFFAOYSA-N -1 0 327.340 3.046 20 30 EGEDRM C#Cc1cccnc1[N-]S(=O)(=O)c1ccc(F)c2ccccc21 ZINC001189357649 1367002427 /nfs/dbraw/zinc/00/24/27/1367002427.db2.gz XCEMHYZHGWOZCF-UHFFFAOYSA-N -1 0 326.352 3.156 20 30 EGEDRM N#Cc1cc(Cl)ccc1[N-]S(=O)(=O)Cc1cccc(F)c1F ZINC001189453535 1367025632 /nfs/dbraw/zinc/02/56/32/1367025632.db2.gz PYUTZWQXXXUTIE-UHFFFAOYSA-N -1 0 342.754 3.432 20 30 EGEDRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2sccc2C#N)c1 ZINC001189576816 1367059841 /nfs/dbraw/zinc/05/98/41/1367059841.db2.gz HQBKJNPXXSURIE-UHFFFAOYSA-N -1 0 328.802 3.083 20 30 EGEDRM N#Cc1cccc(Cl)c1[N-]S(=O)(=O)Cc1ccc(F)cc1F ZINC001189824647 1367115414 /nfs/dbraw/zinc/11/54/14/1367115414.db2.gz WYDJUJAGYLXTSA-UHFFFAOYSA-N -1 0 342.754 3.432 20 30 EGEDRM COc1cc([N-]S(=O)(=O)c2cc(C#N)ccc2F)ccc1Cl ZINC001190647985 1367315457 /nfs/dbraw/zinc/31/54/57/1367315457.db2.gz PHTXLCMAOYYJRE-UHFFFAOYSA-N -1 0 340.763 3.160 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(Cl)c(F)c2)c1 ZINC001190648697 1367316374 /nfs/dbraw/zinc/31/63/74/1367316374.db2.gz XEHICARZIITDIU-UHFFFAOYSA-N -1 0 328.727 3.291 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cc(F)cc3cccnc32)c1 ZINC001190650893 1367316558 /nfs/dbraw/zinc/31/65/58/1367316558.db2.gz NWALDESPLWTHDU-UHFFFAOYSA-N -1 0 345.330 3.185 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]c2c(C(=O)OC)ccc3ccccc32)CC1 ZINC001190814550 1367357203 /nfs/dbraw/zinc/35/72/03/1367357203.db2.gz GZVFEDFDUHYWGL-UHFFFAOYSA-N -1 0 345.420 3.477 20 30 EGEDRM N#Cc1cc2cccnc2nc1NC(=O)c1csc(C(F)(F)F)n1 ZINC001191001927 1367400204 /nfs/dbraw/zinc/40/02/04/1367400204.db2.gz FKAMYYLRFARBHA-UHFFFAOYSA-N -1 0 349.297 3.229 20 30 EGEDRM N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCC[C@H](C3CC3)C2)c(F)c1 ZINC001191547117 1367524878 /nfs/dbraw/zinc/52/48/78/1367524878.db2.gz PEPYDCINMHXECA-QWHCGFSZSA-N -1 0 340.395 3.084 20 30 EGEDRM N=C(c1ccccc1N)N(O)C(=O)c1cncc(-c2cccs2)c1 ZINC001191825310 1367603268 /nfs/dbraw/zinc/60/32/68/1367603268.db2.gz OQPXHBJOYPYEER-UHFFFAOYSA-N -1 0 338.392 3.249 20 30 EGEDRM N#Cc1ccc(NS(=O)(=O)Cc2ccc(Cl)cc2F)cc1F ZINC001191898453 1367630091 /nfs/dbraw/zinc/63/00/91/1367630091.db2.gz UWGWVJCSDBGLNJ-UHFFFAOYSA-N -1 0 342.754 3.432 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)Cc2ccc(Cl)cc2F)c(C#N)c1 ZINC001191905716 1367632282 /nfs/dbraw/zinc/63/22/82/1367632282.db2.gz MXZGLPWVWVDAPV-UHFFFAOYSA-N -1 0 349.774 3.164 20 30 EGEDRM N#Cc1cccc(Cl)c1[N-]S(=O)(=O)C(Cl)(Cl)Cl ZINC001192034147 1367670874 /nfs/dbraw/zinc/67/08/74/1367670874.db2.gz DWYBABLALBUQRA-UHFFFAOYSA-N -1 0 334.011 3.281 20 30 EGEDRM C=CC[C@H](NC(=O)Nc1ccc(-c2csc(C)n2)cc1)C(=O)[O-] ZINC001325063811 1387893935 /nfs/dbraw/zinc/89/39/35/1387893935.db2.gz JCYPTIIUAGLCIF-ZDUSSCGKSA-N -1 0 331.397 3.269 20 30 EGEDRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C#N)cc2C)c1 ZINC001192763658 1367869888 /nfs/dbraw/zinc/86/98/88/1367869888.db2.gz PDGYXJACLAQDRJ-UHFFFAOYSA-N -1 0 330.409 3.239 20 30 EGEDRM N#CCS(=O)(=O)[N-]c1scc(-c2ccc(Cl)cc2)c1C#N ZINC001192943975 1367908103 /nfs/dbraw/zinc/90/81/03/1367908103.db2.gz WYEFCYCTIOMROD-UHFFFAOYSA-N -1 0 337.813 3.205 20 30 EGEDRM C[C@H](C#N)S(=O)(=O)[N-]c1sc2cc(Cl)ccc2c1C#N ZINC001193104978 1367945520 /nfs/dbraw/zinc/94/55/20/1367945520.db2.gz PKMDJABRCRRINL-SSDOTTSWSA-N -1 0 325.802 3.080 20 30 EGEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1c(C(F)(F)F)cccc1C(F)(F)F ZINC001193146993 1367954275 /nfs/dbraw/zinc/95/42/75/1367954275.db2.gz VPRPFCBAJOEODN-LURJTMIESA-N -1 0 346.252 3.378 20 30 EGEDRM Cc1cc(NC(=O)c2ccc([O-])c(C#N)c2)nc(C)c1Br ZINC001193493266 1368045162 /nfs/dbraw/zinc/04/51/62/1368045162.db2.gz BSWYXYNEKUEZNY-UHFFFAOYSA-N -1 0 346.184 3.291 20 30 EGEDRM N#Cc1cccc2c1CC[C@H]2NC(=O)c1cc(O)c([O-])c(Cl)c1 ZINC001193634006 1368079438 /nfs/dbraw/zinc/07/94/38/1368079438.db2.gz OHWNKAGWURPHES-CQSZACIVSA-N -1 0 328.755 3.040 20 30 EGEDRM COc1cccc(NC(=O)c2c([O-])c(F)c(F)c(F)c2F)c1C#N ZINC001195302453 1368417066 /nfs/dbraw/zinc/41/70/66/1368417066.db2.gz HBSOKQSRYYEBAC-UHFFFAOYSA-N -1 0 340.232 3.081 20 30 EGEDRM CCOC(=O)c1c(C)csc1NC(=O)c1ccc(C#N)cc1[O-] ZINC001195733268 1368479458 /nfs/dbraw/zinc/47/94/58/1368479458.db2.gz HKYCZDAQAWAHQQ-UHFFFAOYSA-N -1 0 330.365 3.063 20 30 EGEDRM N#Cc1ccc(C(F)(F)F)c([N-]S(=O)(=O)c2ccc(O)cc2)c1 ZINC001195802406 1368493368 /nfs/dbraw/zinc/49/33/68/1368493368.db2.gz BKSIVJNVMYXWQG-UHFFFAOYSA-N -1 0 342.298 3.083 20 30 EGEDRM Cc1cc(C#N)cc(Cl)c1[N-]S(=O)(=O)c1ccc(Cl)cn1 ZINC001196237258 1368573417 /nfs/dbraw/zinc/57/34/17/1368573417.db2.gz ODBCGCGPXMUXCL-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM Cc1onc(-c2ccc(O)cc2)c1C(=O)Nc1ccc(C#N)cc1O ZINC001196592431 1368644545 /nfs/dbraw/zinc/64/45/45/1368644545.db2.gz QRIMJBBKVRAYLA-UHFFFAOYSA-N -1 0 335.319 3.185 20 30 EGEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(F)c1C#N ZINC001196679675 1368660835 /nfs/dbraw/zinc/66/08/35/1368660835.db2.gz GGRLRGUSQACHTB-UHFFFAOYSA-N -1 0 335.747 3.023 20 30 EGEDRM COc1ccc(F)c(S(=O)(=O)[N-]c2c(Cl)cccc2C#N)c1 ZINC001196760082 1368677554 /nfs/dbraw/zinc/67/75/54/1368677554.db2.gz ANJGQPGKLMEVHM-UHFFFAOYSA-N -1 0 340.763 3.160 20 30 EGEDRM N#Cc1ccncc1[N-]S(=O)(=O)Cc1cc(Cl)ccc1Cl ZINC001197504263 1368829303 /nfs/dbraw/zinc/82/93/03/1368829303.db2.gz DIAJNLIBFXSHDV-UHFFFAOYSA-N -1 0 342.207 3.202 20 30 EGEDRM CCCCCCCCCCNC(=S)NCC(=O)CCC(=O)[O-] ZINC001200218993 1369330826 /nfs/dbraw/zinc/33/08/26/1369330826.db2.gz RGYFDYPDSPSSSP-UHFFFAOYSA-N -1 0 330.494 3.025 20 30 EGEDRM Cc1cccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2C#N)c1F ZINC001200811010 1369432317 /nfs/dbraw/zinc/43/23/17/1369432317.db2.gz OWJWXOGKVSNHMX-UHFFFAOYSA-N -1 0 326.299 3.085 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2ncccc2C(F)(F)F)cc1C#N ZINC001201293082 1369512366 /nfs/dbraw/zinc/51/23/66/1369512366.db2.gz PRHOLRAWEWVXBK-UHFFFAOYSA-N -1 0 341.314 3.081 20 30 EGEDRM N#Cc1c[nH]c2cc(NC(=O)c3cc(F)c(F)c([O-])c3F)ccc12 ZINC001186780767 1388008235 /nfs/dbraw/zinc/00/82/35/1388008235.db2.gz XMTHZWAXJGJQOA-UHFFFAOYSA-N -1 0 331.253 3.415 20 30 EGEDRM CC(C)(NC(=O)c1cc(F)c(F)c([O-])c1F)c1ccc(C#N)cc1 ZINC001186787313 1388009291 /nfs/dbraw/zinc/00/92/91/1388009291.db2.gz CZOXLXGFJAIJSM-UHFFFAOYSA-N -1 0 334.297 3.346 20 30 EGEDRM N#Cc1ccc(Nc2ccc(Cl)cc2S(=O)(=O)[O-])c(F)c1 ZINC001201570658 1369579122 /nfs/dbraw/zinc/57/91/22/1369579122.db2.gz IHZMJLATQVVQPJ-UHFFFAOYSA-N -1 0 326.736 3.341 20 30 EGEDRM Cc1nc(Cl)sc1S(=O)(=O)[N-]c1cc(F)c(C)cc1C#N ZINC001201764213 1369619452 /nfs/dbraw/zinc/61/94/52/1369619452.db2.gz PMAYBYNMUDHNDZ-UHFFFAOYSA-N -1 0 345.808 3.225 20 30 EGEDRM N#Cc1cc([N-]S(=O)(=O)c2cc3c(s2)CCCC3)ccc1O ZINC001187210631 1388072792 /nfs/dbraw/zinc/07/27/92/1388072792.db2.gz WKGPHRYGDWSIRH-UHFFFAOYSA-N -1 0 334.422 3.005 20 30 EGEDRM N#Cc1cc(Nc2cccc(CCN3CCOCC3)c2)c([O-])cc1F ZINC001204397103 1370466619 /nfs/dbraw/zinc/46/66/19/1370466619.db2.gz GKCLEQIFGKRUEZ-UHFFFAOYSA-N -1 0 341.386 3.021 20 30 EGEDRM COc1c(F)ccc(-c2noc(CCC(=O)C3=CC=C[CH]3)n2)c1F ZINC001204656209 1370537939 /nfs/dbraw/zinc/53/79/39/1370537939.db2.gz FYJNKMKNXOPCGX-UHFFFAOYSA-N -1 0 331.298 3.226 20 30 EGEDRM C=CC[C@@H](NC(=O)CCCOc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC001116906188 1370998100 /nfs/dbraw/zinc/99/81/00/1370998100.db2.gz HAZPWETVMZRTME-MRXNPFEDSA-N -1 0 333.428 3.289 20 30 EGEDRM CCOC(=O)c1c(C)oc(Nc2ccc(OC)c(C(=O)[O-])c2)c1C#N ZINC001209901783 1372227988 /nfs/dbraw/zinc/22/79/88/1372227988.db2.gz TYUYOXKZZHYGHH-UHFFFAOYSA-N -1 0 344.323 3.087 20 30 EGEDRM Cc1c(F)cc(C(=O)[O-])cc1Nc1c(C#N)cnn1-c1ccccn1 ZINC001210006791 1372253992 /nfs/dbraw/zinc/25/39/92/1372253992.db2.gz HNCHDQNVGAVMPF-UHFFFAOYSA-N -1 0 337.314 3.028 20 30 EGEDRM CC(C)n1ncc(C([O-])=C(C#N)c2nccn2C)c1-c1ccccc1 ZINC001122607202 1372282815 /nfs/dbraw/zinc/28/28/15/1372282815.db2.gz WHNHFZWJDOMXGJ-HNNXBMFYSA-N -1 0 333.395 3.355 20 30 EGEDRM N#Cc1cc(Nc2ccc(C(=O)[O-])nc2)c(Br)cc1F ZINC001210177309 1372288343 /nfs/dbraw/zinc/28/83/43/1372288343.db2.gz MZRDDFIXJNEDRA-UHFFFAOYSA-N -1 0 336.120 3.297 20 30 EGEDRM N#Cc1cnn(-c2ccc(F)cc2)c1Nc1cccc(C(=O)[O-])c1F ZINC001210239004 1372302000 /nfs/dbraw/zinc/30/20/00/1372302000.db2.gz IEUGRQKEFHVNEV-UHFFFAOYSA-N -1 0 340.289 3.464 20 30 EGEDRM N#Cc1ccsc1[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC001187928661 1388193011 /nfs/dbraw/zinc/19/30/11/1388193011.db2.gz CSOVIXHHJXHUAE-UHFFFAOYSA-N -1 0 334.209 3.122 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)NC[C@H]2CCCC[C@H]2c2ccccc2)o1 ZINC001211866245 1372624576 /nfs/dbraw/zinc/62/45/76/1372624576.db2.gz YWHQFZOVNQTGPV-WBVHZDCISA-N -1 0 344.436 3.404 20 30 EGEDRM N#Cc1nc(Cl)ccc1Nc1ccc(NC(=O)CCC(=O)[O-])cc1 ZINC001213179291 1372854098 /nfs/dbraw/zinc/85/40/98/1372854098.db2.gz IBABQQRIBNIALC-UHFFFAOYSA-N -1 0 344.758 3.154 20 30 EGEDRM N#Cc1ncc(Nc2ccc(NC(=O)CCC(=O)[O-])cc2)cc1Cl ZINC001213183175 1372854964 /nfs/dbraw/zinc/85/49/64/1372854964.db2.gz XMLZZSKXSNCUOY-UHFFFAOYSA-N -1 0 344.758 3.154 20 30 EGEDRM COc1cc(Nc2nc(C(F)(F)F)ccc2C#N)cc(C(=O)[O-])c1 ZINC001213586947 1372929733 /nfs/dbraw/zinc/92/97/33/1372929733.db2.gz WDLDQGLMYXIJAB-UHFFFAOYSA-N -1 0 337.257 3.422 20 30 EGEDRM C=C1CC=C(F)C=C1NS(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC001188088913 1388240020 /nfs/dbraw/zinc/24/00/20/1388240020.db2.gz WXNCJMXFSJOFSI-UHFFFAOYSA-N -1 0 335.187 3.364 20 30 EGEDRM N#Cc1cccc(Nc2cc(C(=O)[O-])cnc2F)c1Br ZINC001215133918 1373176004 /nfs/dbraw/zinc/17/60/04/1373176004.db2.gz NVJBTVNJENIQPC-UHFFFAOYSA-N -1 0 336.120 3.297 20 30 EGEDRM N#Cc1cc(Nc2ccc(CN3CCOCC3)c(F)c2)c([O-])cc1F ZINC001215545050 1373210722 /nfs/dbraw/zinc/21/07/22/1373210722.db2.gz CVZSPYZKZBBXAV-UHFFFAOYSA-N -1 0 345.349 3.118 20 30 EGEDRM Cc1c(Cl)c(-n2nc(N)c3c2cccc3C#N)ccc1C(=O)[O-] ZINC001215691495 1373232467 /nfs/dbraw/zinc/23/24/67/1373232467.db2.gz KSIUVJJEFBSLCD-UHFFFAOYSA-N -1 0 326.743 3.139 20 30 EGEDRM Cc1cc([O-])c(-c2nc(-c3cc(F)cc(C#N)c3)no2)cc1[N+](=O)[O-] ZINC001216946463 1373369004 /nfs/dbraw/zinc/36/90/04/1373369004.db2.gz SGIPGNWUQDGUAR-UHFFFAOYSA-N -1 0 340.270 3.337 20 30 EGEDRM Cc1ccc(C(=NC(=O)c2c(C)ccc(C(C)C)c2[O-])NO)nc1 ZINC001188188352 1388260506 /nfs/dbraw/zinc/26/05/06/1388260506.db2.gz WZIFJUATATZTFO-UHFFFAOYSA-N -1 0 327.384 3.093 20 30 EGEDRM N#Cc1cccc2[nH]nc(NC(=O)c3ccc([O-])c(C(F)(F)F)c3)c21 ZINC001188572187 1388333177 /nfs/dbraw/zinc/33/31/77/1388333177.db2.gz LWENBPPYJVDDQM-UHFFFAOYSA-N -1 0 346.268 3.411 20 30 EGEDRM C=CC[C@H](Oc1nc(C(=O)OC)cc(=O)[n-]1)c1ccc(Cl)cc1 ZINC001225729889 1375150901 /nfs/dbraw/zinc/15/09/01/1375150901.db2.gz DZHLOOOIWPGZNB-ZDUSSCGKSA-N -1 0 334.759 3.318 20 30 EGEDRM N#Cc1cc(F)c(=O)[n-]c1O[C@H]1Cc2ccc(Br)cc2C1 ZINC001226009738 1375189646 /nfs/dbraw/zinc/18/96/46/1375189646.db2.gz AFCGTDUJMBLMGG-LBPRGKRZSA-N -1 0 349.159 3.107 20 30 EGEDRM O=c1nc2nc[nH]c2c(O[C@H](C#Cc2ccccc2)c2ccccc2)[n-]1 ZINC001227073547 1375385019 /nfs/dbraw/zinc/38/50/19/1375385019.db2.gz NSCZQTOCHJCELF-MRXNPFEDSA-N -1 0 342.358 3.230 20 30 EGEDRM C=CC[C@H](Oc1c([O-])c(C(=O)OC)sc1C(=O)OC)C(C)C ZINC001227621612 1375455479 /nfs/dbraw/zinc/45/54/79/1375455479.db2.gz GSWBGDQRSXDKJE-VIFPVBQESA-N -1 0 328.386 3.006 20 30 EGEDRM CC[C@H](C#Cc1ccccc1)Oc1nc(SC)[n-]c(=O)c1[N+](=O)[O-] ZINC001227627919 1375456394 /nfs/dbraw/zinc/45/63/94/1375456394.db2.gz JZKMZPYNNLGLFG-GFCCVEGCSA-N -1 0 345.380 3.021 20 30 EGEDRM C=C1O[C@@H](C)C(=O)C1Oc1cc(O)ccc1C(=O)Cc1ccccc1 ZINC001229260031 1375796195 /nfs/dbraw/zinc/79/61/95/1375796195.db2.gz PTQXNJCPLBDGQM-LBPRGKRZSA-N -1 0 338.359 3.416 20 30 EGEDRM CC(=O)Nc1sc(C)c(C)c1C(=O)Nc1ccc(C#N)cc1O ZINC001188980554 1388425960 /nfs/dbraw/zinc/42/59/60/1388425960.db2.gz FGXUDUGDNRIDSY-UHFFFAOYSA-N -1 0 329.381 3.153 20 30 EGEDRM N#C[C@H]1CC[C@@H](Oc2cc(O)cc([O-])c2C(=O)c2cccc(O)c2)C1 ZINC001234165201 1376781389 /nfs/dbraw/zinc/78/13/89/1376781389.db2.gz HPTNQMNIOQAWHJ-XHDPSFHLSA-N -1 0 339.347 3.105 20 30 EGEDRM C=CCN(CC=C)Cc1cc(Br)ccc1OCC(=O)[O-] ZINC001139239988 1377857493 /nfs/dbraw/zinc/85/74/93/1377857493.db2.gz KLCJBEOKZRNWCL-UHFFFAOYSA-N -1 0 340.217 3.087 20 30 EGEDRM CN(C)[C@H](C(=O)Nc1cc(C#N)c(F)cc1[O-])c1ccccc1Cl ZINC001143615381 1378625367 /nfs/dbraw/zinc/62/53/67/1378625367.db2.gz CWGSFFWQMAONHI-INIZCTEOSA-N -1 0 347.777 3.298 20 30 EGEDRM COc1ccc2cc([O-])c(C(=O)Nc3ccc(C#N)cc3O)cc2c1 ZINC001154754426 1380346179 /nfs/dbraw/zinc/34/61/79/1380346179.db2.gz GJIALHZSKQHYRI-UHFFFAOYSA-N -1 0 334.331 3.384 20 30 EGEDRM O=C([O-])c1cncc(NC2=C(c3ccccc3)C(=O)c3ccccc32)n1 ZINC001168410481 1383899664 /nfs/dbraw/zinc/89/96/64/1383899664.db2.gz ICUVCBZCHZTACT-UHFFFAOYSA-N -1 0 343.342 3.352 20 30 EGEDRM COc1ccc(Cn2cc(Nc3scc([O-])c3C#N)cn2)cc1 ZINC001174436396 1385108508 /nfs/dbraw/zinc/10/85/08/1385108508.db2.gz UZTSRWOLTUESHW-UHFFFAOYSA-N -1 0 326.381 3.322 20 30 EGEDRM CCOC(=O)COc1ccc(/C=C\C(=O)c2ccc([O-])c(F)c2)cc1 ZINC001319400634 1386104303 /nfs/dbraw/zinc/10/43/03/1386104303.db2.gz LILKHQHFUUDBHE-UITAMQMPSA-N -1 0 344.338 3.369 20 30 EGEDRM C=CCOc1ccccc1[C@H](C)NC(=O)C1(C(=O)[O-])CCCCC1 ZINC001180440447 1386797315 /nfs/dbraw/zinc/79/73/15/1386797315.db2.gz PRMYFZIZCRVSFC-AWEZNQCLSA-N -1 0 331.412 3.464 20 30 EGEDRM N#Cc1ccc(NC(=O)N[C@@H](Cc2ccccc2Cl)C(=O)[O-])cc1 ZINC001321392505 1386893259 /nfs/dbraw/zinc/89/32/59/1386893259.db2.gz DJVRFTIGHYHLLI-HNNXBMFYSA-N -1 0 343.770 3.029 20 30 EGEDRM C[C@@H]1C[C@H](CC(=O)[N-]S(=O)(=O)c2ccccc2C#N)CC(C)(C)C1 ZINC001321475285 1386912578 /nfs/dbraw/zinc/91/25/78/1386912578.db2.gz VCGPWWRQPMJXOE-ZIAGYGMSSA-N -1 0 348.468 3.216 20 30 EGEDRM C=CC[C@H](NC(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC001322603324 1387212375 /nfs/dbraw/zinc/21/23/75/1387212375.db2.gz ZMFGQMXEYKFLPY-NSHDSACASA-N -1 0 336.800 3.223 20 30 EGEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1cc(-n2cccc2)ccc1Cl ZINC001341916681 1390549292 /nfs/dbraw/zinc/54/92/92/1390549292.db2.gz CUQRPUOKZVEOBT-HNNXBMFYSA-N -1 0 341.798 3.076 20 30 EGEDRM N#CC(=C([O-])c1ccc(C#N)c(Cl)c1)c1nc(N)c2ccccc2n1 ZINC001342595571 1390630214 /nfs/dbraw/zinc/63/02/14/1390630214.db2.gz MVCAJNVBIDMCLE-ZDUSSCGKSA-N -1 0 347.765 3.227 20 30 EGEDRM C=CC[C@@H](NC(=O)c1cc(-c2ccco2)nc2ccccc21)C(=O)[O-] ZINC001344553107 1390799227 /nfs/dbraw/zinc/79/92/27/1390799227.db2.gz OYZPZHNVHLLHLI-OAHLLOKOSA-N -1 0 336.347 3.254 20 30 EGEDRM CC(C)(C)OC(=O)c1ccc(C([O-])=C(C#N)c2cccc(F)n2)nc1 ZINC001344686387 1390808661 /nfs/dbraw/zinc/80/86/61/1390808661.db2.gz MBWGFDBMLRBBTG-LBPRGKRZSA-N -1 0 341.342 3.061 20 30 EGEDRM N#CC(=C([O-])c1csc(Cl)c1)c1nc(N)c2ccccc2n1 ZINC001346065281 1390904731 /nfs/dbraw/zinc/90/47/31/1390904731.db2.gz RIVJGIPRHSPNJO-SNVBAGLBSA-N -1 0 328.784 3.417 20 30 EGEDRM CNC(=O)Nc1cccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)c1 ZINC001346269445 1390918910 /nfs/dbraw/zinc/91/89/10/1390918910.db2.gz KFWYIPJHEFVVIA-ZDUSSCGKSA-N -1 0 340.408 3.262 20 30 EGEDRM Cc1c(C(=O)C=CC=Cc2ccccc2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737204322 1429085299 /nfs/dbraw/zinc/08/52/99/1429085299.db2.gz ZKSTVTFYEDKLKM-NPPOFJFTSA-N -1 0 345.406 3.375 20 30 EGEDRM C#CCCCCC(=O)N(CC(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000823837541 1423475524 /nfs/dbraw/zinc/47/55/24/1423475524.db2.gz DXYURYHQXFVLTB-UHFFFAOYSA-N -1 0 325.416 3.049 20 30 EGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CC(C)(C)CC ZINC000819744167 1429722816 /nfs/dbraw/zinc/72/28/16/1429722816.db2.gz YRVXSWIFEHBNPA-UHFFFAOYSA-N -1 0 327.432 3.208 20 30 EGEDRM Cc1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cc1[N+](=O)[O-] ZINC000822225093 1429767979 /nfs/dbraw/zinc/76/79/79/1429767979.db2.gz OABMJTDIRLUARQ-PLNGDYQASA-N -1 0 341.352 3.041 20 30 EGEDRM Cc1nc(-c2nn[n-]n2)c(N=NC[C@@H](C)c2cccc(Cl)c2)o1 ZINC000826322762 1425577920 /nfs/dbraw/zinc/57/79/20/1425577920.db2.gz ANGMGXWNWLCPOW-MRVPVSSYSA-N -1 0 331.767 3.018 20 30 EGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C1(CCC)CCC1 ZINC000819743193 1425626948 /nfs/dbraw/zinc/62/69/48/1425626948.db2.gz FKGQKOLVKQSWSP-UHFFFAOYSA-N -1 0 339.443 3.352 20 30 EGEDRM Cc1c(NCc2ccc(O[C@H](C)C#N)cc2)cccc1-c1nn[n-]n1 ZINC000826242260 1426146397 /nfs/dbraw/zinc/14/63/97/1426146397.db2.gz HLMUKFULZDYBHC-GFCCVEGCSA-N -1 0 334.383 3.078 20 30 EGEDRM CC(C)CCCCCC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000820074118 1426617509 /nfs/dbraw/zinc/61/75/09/1426617509.db2.gz ZOLITUZZDXUOSZ-UHFFFAOYSA-N -1 0 326.404 3.283 20 30 EGEDRM CC(C)CC1(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)CCCC1 ZINC000820061475 1426684212 /nfs/dbraw/zinc/68/42/12/1426684212.db2.gz CKNCGYBSMGNJBU-UHFFFAOYSA-N -1 0 338.415 3.283 20 30 EGEDRM COc1ccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)c(F)c1 ZINC000826187377 1426908329 /nfs/dbraw/zinc/90/83/29/1426908329.db2.gz NPAHEDDHIWJMCX-CLTKARDFSA-N -1 0 342.305 3.050 20 30 EGEDRM C=C(Cl)CNC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000735402047 1427328446 /nfs/dbraw/zinc/32/84/46/1427328446.db2.gz GBLLOONPQNGARH-UHFFFAOYSA-N -1 0 339.786 3.016 20 30 EGEDRM N#Cc1c(F)cccc1N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737705874 1427968040 /nfs/dbraw/zinc/96/80/40/1427968040.db2.gz RHIMESJTMDGUJP-UHFFFAOYSA-N -1 0 334.358 3.046 20 30 EGEDRM COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)cc1C ZINC000826190741 1428037130 /nfs/dbraw/zinc/03/71/30/1428037130.db2.gz LWYIROQHLDFRNG-XVNBXDOJSA-N -1 0 338.342 3.219 20 30 EGEDRM FC(F)(F)c1cccc(NN=Cc2cc(-c3nn[n-]n3)cs2)c1 ZINC000822729155 1428073159 /nfs/dbraw/zinc/07/31/59/1428073159.db2.gz UTWOWPBXRVWJBX-UHFFFAOYSA-N -1 0 338.318 3.393 20 30 EGEDRM C=C(CC)CSCC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000823883259 1430134460 /nfs/dbraw/zinc/13/44/60/1430134460.db2.gz MJTALIUDYIQRIM-UHFFFAOYSA-N -1 0 337.836 3.158 20 30 EGEDRM C=C(Br)CNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000735399093 1441901572 /nfs/dbraw/zinc/90/15/72/1441901572.db2.gz OYDNCJDCAYSSMZ-UHFFFAOYSA-N -1 0 348.126 3.206 20 30 EGEDRM C#CCCCOC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000735374530 1442377550 /nfs/dbraw/zinc/37/75/50/1442377550.db2.gz DLYLCGGJRNBMEM-UHFFFAOYSA-N -1 0 332.363 3.104 20 30 EGEDRM COCc1cccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)c1 ZINC000821695626 1442395488 /nfs/dbraw/zinc/39/54/88/1442395488.db2.gz AJWJZRMKOZGENX-YBEGLDIGSA-N -1 0 346.390 3.226 20 30 EGEDRM N#Cc1ccc(SCCOc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000737723548 1443348699 /nfs/dbraw/zinc/34/86/99/1443348699.db2.gz WEJNRTYRCJIYIK-UHFFFAOYSA-N -1 0 341.371 3.049 20 30 EGEDRM O=C(C=Cc1c(F)cccc1F)c1ccc(-c2nn[n-]n2)cc1F ZINC000826400247 1443646434 /nfs/dbraw/zinc/64/64/34/1443646434.db2.gz SYYHRPHSQWQDAV-SREVYHEPSA-N -1 0 330.269 3.180 20 30 EGEDRM C[C@@H](Nc1nc2ccccc2cc1C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000820462313 1443936989 /nfs/dbraw/zinc/93/69/89/1443936989.db2.gz XHOPDBIVVOBVGF-GFCCVEGCSA-N -1 0 341.378 3.460 20 30 EGEDRM C#Cc1cccc(NC(=O)N[C@H](C(=O)[O-])c2ccc(F)c(C)c2)c1 ZINC000797737142 939200012 /nfs/dbraw/zinc/20/00/12/939200012.db2.gz RQUBUGFDWRVKSI-INIZCTEOSA-N -1 0 326.327 3.063 20 30 EGEDRM C#CCOc1ccc(NC(=O)NC2(C(=O)[O-])CCC(CC)CC2)cc1 ZINC000797744143 939206404 /nfs/dbraw/zinc/20/64/04/939206404.db2.gz QWYUPGAQIKXXCI-UHFFFAOYSA-N -1 0 344.411 3.244 20 30 EGEDRM C=CC1(CC(=O)N[C@H](C(=O)[O-])c2ccc(OC)c(O)c2)CCCCC1 ZINC000907843501 939301681 /nfs/dbraw/zinc/30/16/81/939301681.db2.gz DCTRTRQITDBNFA-KRWDZBQOSA-N -1 0 347.411 3.169 20 30 EGEDRM C=CC[C@H](NC(=O)NC1(C(=O)[O-])CCC(CC)CC1)c1ccncc1 ZINC000929034567 939795833 /nfs/dbraw/zinc/79/58/33/939795833.db2.gz UDIFNMXCHZAJNH-RCDNUKIMSA-N -1 0 345.443 3.422 20 30 EGEDRM C#CCN(Cc1ccccc1)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001602701122 971326593 /nfs/dbraw/zinc/32/65/93/971326593.db2.gz XLFACAQCBNCILW-UHFFFAOYSA-N -1 0 336.391 3.371 20 30 EGEDRM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC001602709483 971346576 /nfs/dbraw/zinc/34/65/76/971346576.db2.gz CMHKRCYIRVWKCK-KRWDZBQOSA-N -1 0 347.459 3.260 20 30 EGEDRM CC[C@]1(C(=O)[O-])CCCN(C(=O)C[C@H](CC#N)c2ccccc2)C1 ZINC001589592582 949106283 /nfs/dbraw/zinc/10/62/83/949106283.db2.gz YHAXICPFFIPVES-LPHOPBHVSA-N -1 0 328.412 3.177 20 30 EGEDRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)Nc2ccccc2O[C@H](C)C#N)C1 ZINC001589598514 949186602 /nfs/dbraw/zinc/18/66/02/949186602.db2.gz OMWZLFDXCWSORI-FZKQIMNGSA-N -1 0 345.399 3.086 20 30 EGEDRM CC(C)(C)CC[C@H](NC(=O)c1ccc2c(C#N)c[nH]c2c1)C(=O)[O-] ZINC001602860432 971715000 /nfs/dbraw/zinc/71/50/00/971715000.db2.gz AMKGUWDIGCWQHM-AWEZNQCLSA-N -1 0 327.384 3.049 20 30 EGEDRM CC[C@H](C)[C@H](NC(=O)c1sc2ccc(C#N)cc2c1C)C(=O)[O-] ZINC001593614140 953485457 /nfs/dbraw/zinc/48/54/57/953485457.db2.gz JQEOLGFWYATSIF-XPTSAGLGSA-N -1 0 330.409 3.311 20 30 EGEDRM C[C@@H]1CCc2sc(NC(=O)[C@](C)(C#N)CC(=O)[O-])c(C#N)c2[C@@H]1C ZINC001589365136 954183986 /nfs/dbraw/zinc/18/39/86/954183986.db2.gz HJFSAPMKFFPDHO-YHTYYEMMSA-N -1 0 345.424 3.249 20 30 EGEDRM CC(C)C[C@H](CNC(=O)c1c(Cl)cc(C#N)cc1Cl)C(=O)[O-] ZINC001603010324 972061486 /nfs/dbraw/zinc/06/14/86/972061486.db2.gz FIUPADHCBCUMAX-SNVBAGLBSA-N -1 0 343.210 3.342 20 30 EGEDRM Cn1c2ccccc2nc1[C@H](C#N)C(=O)C1(C(=O)[O-])CCCCCC1 ZINC001594517950 955431632 /nfs/dbraw/zinc/43/16/32/955431632.db2.gz KBOXOGGISGTCOV-CYBMUJFWSA-N -1 0 339.395 3.175 20 30 EGEDRM N#CC(C(=O)CCC(=O)[O-])c1nc2cc(C(F)(F)F)ccc2s1 ZINC001594602174 956142745 /nfs/dbraw/zinc/14/27/45/956142745.db2.gz ROAQTTMOUURBIX-MRVPVSSYSA-N -1 0 342.298 3.356 20 30 EGEDRM N#CC1(c2ccc(C(=O)N3CCCC[C@@H]3CCC(=O)[O-])cc2)CC1 ZINC001594602937 956152506 /nfs/dbraw/zinc/15/25/06/956152506.db2.gz VABOENVUTOBRLA-MRXNPFEDSA-N -1 0 326.396 3.101 20 30 EGEDRM N#CC1(CCS(=O)(=O)Cc2ccc(C(=O)[O-])cc2)CCCCC1 ZINC001594604382 956161386 /nfs/dbraw/zinc/16/13/86/956161386.db2.gz SEARDJKVZTZEBH-UHFFFAOYSA-N -1 0 335.425 3.164 20 30 EGEDRM N#Cc1c(NC(=O)[C@H](C(=O)[O-])C2CCCC2)sc2c1CCCC2 ZINC001594613692 956225850 /nfs/dbraw/zinc/22/58/50/956225850.db2.gz AMVAPJYMCUIVLT-CQSZACIVSA-N -1 0 332.425 3.328 20 30 EGEDRM N#Cc1ccc(C2(NC(=O)c3coc(/C=C\C(=O)[O-])c3)CCC2)cc1 ZINC001594618106 956260736 /nfs/dbraw/zinc/26/07/36/956260736.db2.gz CWIKVDGOOMFGGL-SREVYHEPSA-N -1 0 336.347 3.058 20 30 EGEDRM C=CCC[C@H]1CCCN1C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC001341380077 957990116 /nfs/dbraw/zinc/99/01/16/957990116.db2.gz FLTYJABQIGTSTC-LPHOPBHVSA-N -1 0 330.428 3.169 20 30 EGEDRM Cc1cc(F)c(C#N)cc1NC(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC001594310471 958007959 /nfs/dbraw/zinc/00/79/59/958007959.db2.gz FANCMEPRWIFYKS-CYBMUJFWSA-N -1 0 333.363 3.257 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)Nc1cccc(Oc2ccccc2F)c1 ZINC001588412438 958152112 /nfs/dbraw/zinc/15/21/12/958152112.db2.gz GHIQHXLFWUWGAT-UHFFFAOYSA-N -1 0 342.326 3.170 20 30 EGEDRM C=C(C)[C@H](NC(=O)Nc1cc(C(=O)[O-])ccn1)c1ccc(F)c(F)c1 ZINC001588441045 958333948 /nfs/dbraw/zinc/33/39/48/958333948.db2.gz DKJIOXRUMFKGEL-HNNXBMFYSA-N -1 0 347.321 3.497 20 30 EGEDRM C=CC1(CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)[O-])CCCCC1 ZINC001588452193 958420246 /nfs/dbraw/zinc/42/02/46/958420246.db2.gz KWFAPSCFGMQHPN-INIZCTEOSA-N -1 0 331.412 3.031 20 30 EGEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cccnc1C(=O)[O-] ZINC001588463932 958486803 /nfs/dbraw/zinc/48/68/03/958486803.db2.gz BRFKLFVAECCXCV-UHFFFAOYSA-N -1 0 341.367 3.009 20 30 EGEDRM C=CC[C@@H](OC(=O)[C@@H](OC)C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001573328081 958495165 /nfs/dbraw/zinc/49/51/65/958495165.db2.gz AELSISIRCYXRKW-NEPJUHHUSA-N -1 0 333.167 3.253 20 30 EGEDRM C=CCc1cc(OC)ccc1OC(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001588470748 958531532 /nfs/dbraw/zinc/53/15/32/958531532.db2.gz UGNHTOFQPDPJHR-JXMROGBWSA-N -1 0 328.320 3.334 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N(CCc1ccc(Cl)cc1)CC1CC1 ZINC001588533926 958913049 /nfs/dbraw/zinc/91/30/49/958913049.db2.gz AJUDFRUJUBLRNZ-GOSISDBHSA-N -1 0 348.830 3.126 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC001588538886 958946190 /nfs/dbraw/zinc/94/61/90/958946190.db2.gz PSPSGKXNCCKIEG-QIIPPGSGSA-N -1 0 348.830 3.487 20 30 EGEDRM Cc1c(Cl)cnc(N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c1C#N ZINC001594262010 959701696 /nfs/dbraw/zinc/70/16/96/959701696.db2.gz CXLSVCJHVXEHJP-LSDHHAIUSA-N -1 0 341.798 3.220 20 30 EGEDRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC001573712171 959856278 /nfs/dbraw/zinc/85/62/78/959856278.db2.gz RENXGZBWPKXHKX-OXJNMPFZSA-N -1 0 347.414 3.412 20 30 EGEDRM C[C@H]1CN(c2cc(C(F)(F)F)c(F)cc2C#N)CC[C@H]1C(=O)[O-] ZINC001573745831 960490362 /nfs/dbraw/zinc/49/03/62/960490362.db2.gz HCVYBOYDXKDFKR-WCBMZHEXSA-N -1 0 330.281 3.263 20 30 EGEDRM CC(C)(C)Oc1ccc(NC(=O)c2ccc(C(=O)[O-])cn2)cc1C#N ZINC001588734276 961116680 /nfs/dbraw/zinc/11/66/80/961116680.db2.gz FSGUEUQFIDTIRQ-UHFFFAOYSA-N -1 0 339.351 3.081 20 30 EGEDRM C=CCC1(NC(=O)NCc2ccc(OC)c(C(=O)[O-])c2)CCCCC1 ZINC001573352994 962995845 /nfs/dbraw/zinc/99/58/45/962995845.db2.gz NLAZQSSLDYJTOG-UHFFFAOYSA-N -1 0 346.427 3.472 20 30 EGEDRM C=CC[C@H]1CCCC[C@@H]1NC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001573353515 963003331 /nfs/dbraw/zinc/00/33/31/963003331.db2.gz XSKALMDOICYJQN-CYJAXWMASA-N -1 0 334.460 3.408 20 30 EGEDRM C=C(C)CNC(=O)Nc1cc(C(=O)[O-])c(Br)cc1C ZINC000311832139 963514881 /nfs/dbraw/zinc/51/48/81/963514881.db2.gz KPENLMAJAQRAJI-UHFFFAOYSA-N -1 0 327.178 3.153 20 30 EGEDRM C#CCCCCC(=O)N[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001588440480 964037925 /nfs/dbraw/zinc/03/79/25/964037925.db2.gz WXGFEAIWTUDDBN-AWEZNQCLSA-N -1 0 327.302 3.298 20 30 EGEDRM C#CCCCCn1c(C2CCCC2)nnc1N1CCC[C@@H](C(=O)[O-])C1 ZINC001588446165 964067870 /nfs/dbraw/zinc/06/78/70/964067870.db2.gz BQGDYRHXILAVFF-MRXNPFEDSA-N -1 0 344.459 3.040 20 30 EGEDRM CC(C)C[C@H](CNC(=O)c1ccccc1SCC#N)CC(=O)[O-] ZINC000321502122 968012981 /nfs/dbraw/zinc/01/29/81/968012981.db2.gz LUCPMFAWJNINSW-ZDUSSCGKSA-N -1 0 334.441 3.169 20 30 EGEDRM Cc1c2cc(C#N)ccc2sc1C(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C ZINC001605074389 972700204 /nfs/dbraw/zinc/70/02/04/972700204.db2.gz NJSPTCGGUNUGOP-ZWNOBZJWSA-N -1 0 342.420 3.407 20 30 EGEDRM N#CCc1cccc(NC(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)c1 ZINC001605601528 973904561 /nfs/dbraw/zinc/90/45/61/973904561.db2.gz QOIMGBNVPORTAY-DLBZAZTESA-N -1 0 335.363 3.187 20 30 EGEDRM CC(C)c1ccc2c(c1)C(=NNc1ccc(CC(=O)[O-])cc1)C(=O)N2 ZINC001591974552 976591390 /nfs/dbraw/zinc/59/13/90/976591390.db2.gz XVVOVXXGDYKMOX-UHFFFAOYSA-N -1 0 337.379 3.205 20 30 EGEDRM O=C([O-])c1cccc(NN=Cc2c(C3CC3)nc3sccn23)c1 ZINC000755471622 978696723 /nfs/dbraw/zinc/69/67/23/978696723.db2.gz HUOBEPJCGBTCGZ-UHFFFAOYSA-N -1 0 326.381 3.417 20 30 EGEDRM CC(Cc1nc2ccccc2s1)N=Nc1ccc(C(=O)[O-])cn1 ZINC000763369007 978721594 /nfs/dbraw/zinc/72/15/94/978721594.db2.gz DPNGUOYCKNOTNU-UHFFFAOYSA-N -1 0 326.381 3.420 20 30 EGEDRM C=CCOc1ccc(/C=C\C(=O)N[C@](C)(CC)CC(=O)[O-])cc1OC ZINC000767052957 978732264 /nfs/dbraw/zinc/73/22/64/978732264.db2.gz XGTBPDANRLWGAJ-IBHIWXBSSA-N -1 0 347.411 3.033 20 30 EGEDRM CC(C)(C)OC(=O)N1CC[C@](C)(CN=Nc2ccccc2C(=O)[O-])C1 ZINC000776724990 978775056 /nfs/dbraw/zinc/77/50/56/978775056.db2.gz XTPKPJVAWIQPAM-GOSISDBHSA-N -1 0 347.415 3.430 20 30 EGEDRM CC(C)c1nn(C)c(Cl)c1C=NNc1ccc(C(=O)[O-])c(F)c1 ZINC000835010024 979244282 /nfs/dbraw/zinc/24/42/82/979244282.db2.gz LIOASQWNWLKHNB-UHFFFAOYSA-N -1 0 338.770 3.480 20 30 EGEDRM O=C([O-])c1cccc(NN=Cc2ccc(OC[C@@H]3CCCO3)cc2)c1 ZINC000839384734 979273499 /nfs/dbraw/zinc/27/34/99/979273499.db2.gz ZFXKRTHYABOLRW-SFHVURJKSA-N -1 0 340.379 3.389 20 30 EGEDRM CC[C@](C/N=C\c1cccc(OC)c1O)(C(=O)[O-])c1ccccc1 ZINC001595131091 979547519 /nfs/dbraw/zinc/54/75/19/979547519.db2.gz JQBOCHSEJNDEMC-CNJGYECJSA-N -1 0 327.380 3.252 20 30 EGEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC001592833310 979569808 /nfs/dbraw/zinc/56/98/08/979569808.db2.gz FEOVVYDIBWEOMM-CYBMUJFWSA-N -1 0 334.375 3.024 20 30 EGEDRM CC[C@@](CNC(=O)c1ccc(C)c(C#N)c1)(C(=O)[O-])c1ccccc1 ZINC001595160827 979687645 /nfs/dbraw/zinc/68/76/45/979687645.db2.gz RVNJIAQUJOFRJR-FQEVSTJZSA-N -1 0 336.391 3.029 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)/C=C\c1csc(C(F)(F)F)c1)C(=O)[O-] ZINC000864188261 979835974 /nfs/dbraw/zinc/83/59/74/979835974.db2.gz RRRPWBUSLKITPV-UMBAGQNISA-N -1 0 333.331 3.316 20 30 EGEDRM Cc1oc(/C=C2/S/C(=N/C3CCCCC3)NC2=O)cc1C(=O)[O-] ZINC000899341777 980227674 /nfs/dbraw/zinc/22/76/74/980227674.db2.gz JHELRIZPEURGHX-MDWZMJQESA-N -1 0 334.397 3.179 20 30 EGEDRM C=CCOC[C@@H](NCc1ccc(-c2ccc(F)cc2C)o1)C(=O)[O-] ZINC000901810671 980531716 /nfs/dbraw/zinc/53/17/16/980531716.db2.gz MZRWVNQDLKEVDK-MRXNPFEDSA-N -1 0 333.359 3.140 20 30 EGEDRM C=C1CCC(C(=O)N[C@@](C)(CC(=O)[O-])c2cccc(OC)c2)CC1 ZINC000909821084 981642771 /nfs/dbraw/zinc/64/27/71/981642771.db2.gz OHZATVHXDZJQDR-IBGZPJMESA-N -1 0 331.412 3.248 20 30 EGEDRM C#Cc1cncc(C(=O)Nc2ccc(N3CCCCC3)c(C(=O)[O-])c2)c1 ZINC000909846231 981671708 /nfs/dbraw/zinc/67/17/08/981671708.db2.gz BLDNPSNTRWAWFD-UHFFFAOYSA-N -1 0 349.390 3.004 20 30 EGEDRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC001594792087 981857324 /nfs/dbraw/zinc/85/73/24/981857324.db2.gz LJMIZRWXROVKEG-QKLQHJQFSA-N -1 0 340.423 3.154 20 30 EGEDRM O=C([O-])COc1ccc(C=NNc2ccc(Br)cc2)cc1 ZINC000912828036 982650280 /nfs/dbraw/zinc/65/02/80/982650280.db2.gz GCTWDJMZIOFCFJ-UHFFFAOYSA-N -1 0 349.184 3.359 20 30 EGEDRM CC[C@](C)(C#N)C(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC000923079928 982710590 /nfs/dbraw/zinc/71/05/90/982710590.db2.gz IJKNKXWKBREETJ-GOSISDBHSA-N -1 0 329.400 3.253 20 30 EGEDRM CCCN(C(=O)c1sc2ccc(C#N)cc2c1C)[C@@H](C)C(=O)[O-] ZINC001595830751 982718925 /nfs/dbraw/zinc/71/89/25/982718925.db2.gz DLGVWJGAXROMNH-NSHDSACASA-N -1 0 330.409 3.407 20 30 EGEDRM CCCNN=Cc1ccc(OCc2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC001595935604 983068100 /nfs/dbraw/zinc/06/81/00/983068100.db2.gz ALSFVGRZKZIITC-UHFFFAOYSA-N -1 0 342.395 3.306 20 30 EGEDRM CCCNc1ccc(C#N)cc1NC(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC001595937344 983083239 /nfs/dbraw/zinc/08/32/39/983083239.db2.gz ZYNBLFWIXQLFTE-VMPITWQZSA-N -1 0 339.351 3.323 20 30 EGEDRM CCCOc1ccc(NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)c(C)c1 ZINC001595961275 983158606 /nfs/dbraw/zinc/15/86/06/983158606.db2.gz HVSYDCQEZVYCCV-UHFFFAOYSA-N -1 0 345.399 3.006 20 30 EGEDRM C#C[C@@H](NC(=O)Nc1cc(C(=O)[O-])cc2cccnc21)C(C)(C)C ZINC001588373973 983340551 /nfs/dbraw/zinc/34/05/51/983340551.db2.gz MSYAMCFMIXAFJV-CQSZACIVSA-N -1 0 325.368 3.102 20 30 EGEDRM C#C[C@@H](N[C@@H](Cc1ccc(Cl)cc1)C(=O)[O-])c1ccc(F)cc1 ZINC001588376154 983350210 /nfs/dbraw/zinc/35/02/10/983350210.db2.gz BPSUFQJDTISNCJ-SJORKVTESA-N -1 0 331.774 3.439 20 30 EGEDRM C#C[C@@H](OC(=O)c1cnc(C(=O)[O-])cn1)c1ccc(C(C)(C)C)cc1 ZINC001588376840 983353827 /nfs/dbraw/zinc/35/38/27/983353827.db2.gz YHQCVSLEAFEVGG-MRXNPFEDSA-N -1 0 338.363 3.004 20 30 EGEDRM C#C[C@H](N[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl)C1CCOCC1 ZINC001588376886 983354690 /nfs/dbraw/zinc/35/46/90/983354690.db2.gz HGYCMXRUDDBNMT-GJZGRUSLSA-N -1 0 342.222 3.137 20 30 EGEDRM C#C[C@@H]1CCCN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC001588383369 983380406 /nfs/dbraw/zinc/38/04/06/983380406.db2.gz XGYASGGFXYDAGI-CYBMUJFWSA-N -1 0 326.421 3.354 20 30 EGEDRM C#CCN(C)C(=O)Nc1ccc(Cl)cc1SCCC(=O)[O-] ZINC001588461015 983488471 /nfs/dbraw/zinc/48/84/71/983488471.db2.gz BTZPYGRPFXARDT-UHFFFAOYSA-N -1 0 326.805 3.004 20 30 EGEDRM C#Cc1ccc(NC(=O)N[C@H](CC(=O)[O-])c2ccc(OC)cc2)cc1 ZINC001588517950 983567355 /nfs/dbraw/zinc/56/73/55/983567355.db2.gz KCZCNQRSGUOIIY-QGZVFWFLSA-N -1 0 338.363 3.014 20 30 EGEDRM C#Cc1cccc(CNC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC001588522168 983569885 /nfs/dbraw/zinc/56/98/85/983569885.db2.gz FUCISEUWJFHWIQ-UHFFFAOYSA-N -1 0 328.755 3.341 20 30 EGEDRM C=C(Br)CN[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001588529250 983580672 /nfs/dbraw/zinc/58/06/72/983580672.db2.gz URAWHISNEHNQPE-JTQLQIEISA-N -1 0 338.123 3.486 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)Cc1coc(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC001588542910 983610042 /nfs/dbraw/zinc/61/00/42/983610042.db2.gz TWOFZKNYFWPDEE-CQSZACIVSA-N -1 0 348.786 3.073 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)c1cc(-c2ccc(Cl)cc2)on1)C(=O)[O-] ZINC001588543267 983611262 /nfs/dbraw/zinc/61/12/62/983611262.db2.gz FKSMLEGKLFSLJF-CYBMUJFWSA-N -1 0 334.759 3.144 20 30 EGEDRM C=C(C)C[C@@H](Nc1nc(C(F)(F)F)nc2ccccc21)C(=O)[O-] ZINC001588554811 983631947 /nfs/dbraw/zinc/63/19/47/983631947.db2.gz QUKZWGOLIXBAMU-LLVKDONJSA-N -1 0 325.290 3.480 20 30 EGEDRM C=C(C)COCCNC(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC001588569844 983650275 /nfs/dbraw/zinc/65/02/75/983650275.db2.gz NPNGIZVXFHPDIY-UHFFFAOYSA-N -1 0 339.391 3.374 20 30 EGEDRM C=C(CC(C)C)C(=O)N[C@@H](C(=O)[O-])c1ccccc1OC(F)(F)F ZINC001588605886 983695065 /nfs/dbraw/zinc/69/50/65/983695065.db2.gz QHGCNVPFYNOPMK-CYBMUJFWSA-N -1 0 345.317 3.429 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N1CC[C@@H](c2cc(C)c(Cl)cc2O)C1 ZINC001588613879 983705590 /nfs/dbraw/zinc/70/55/90/983705590.db2.gz GKWXOSTWTPNSAI-GFCCVEGCSA-N -1 0 337.803 3.091 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC001588622202 983722498 /nfs/dbraw/zinc/72/24/98/983722498.db2.gz RCYIMUJPXQEJEA-LBPRGKRZSA-N -1 0 335.375 3.213 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)NC[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC001588622693 983724448 /nfs/dbraw/zinc/72/44/48/983724448.db2.gz CLLHJOJQJUBUQD-LLVKDONJSA-N -1 0 329.318 3.346 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(N(C)C)c(C(F)(F)F)c1 ZINC001588629304 983736543 /nfs/dbraw/zinc/73/65/43/983736543.db2.gz FUXDACUWWKWZOD-UHFFFAOYSA-N -1 0 330.306 3.131 20 30 EGEDRM C=C1CN(C(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)C1 ZINC001588650500 983772416 /nfs/dbraw/zinc/77/24/16/983772416.db2.gz GKQORZZEFHXPSH-UHFFFAOYSA-N -1 0 332.359 3.188 20 30 EGEDRM C=C[C@@H](CC)CC(=O)Nc1cc(C(=O)[O-])ccc1-n1cc(C)cn1 ZINC001588691218 983878728 /nfs/dbraw/zinc/87/87/28/983878728.db2.gz UFPPTJJEXCMCEL-ZDUSSCGKSA-N -1 0 327.384 3.420 20 30 EGEDRM C=CCC(C)(C)CNC(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1 ZINC001588736509 984025399 /nfs/dbraw/zinc/02/53/99/984025399.db2.gz MFWGMYAKXFQVIE-UHFFFAOYSA-N -1 0 325.434 3.229 20 30 EGEDRM C=CC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC001588770590 984135124 /nfs/dbraw/zinc/13/51/24/984135124.db2.gz BFWSCPQLTWLPRY-ZFWWWQNUSA-N -1 0 337.441 3.106 20 30 EGEDRM C=CCCC(C)(C)CNS(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC001588777754 984157907 /nfs/dbraw/zinc/15/79/07/984157907.db2.gz IXMOKWMESXOXOL-FLIBITNWSA-N -1 0 337.441 3.055 20 30 EGEDRM C=CCCC[C@H](NC(=O)CO[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC001588788935 984194574 /nfs/dbraw/zinc/19/45/74/984194574.db2.gz RXOZIHUWWUJOGM-IRXDYDNUSA-N -1 0 331.412 3.006 20 30 EGEDRM C=CCCC[C@@H](NC(=O)C[C@@H]1OCc2cc(Cl)ccc21)C(=O)[O-] ZINC001588789013 984195471 /nfs/dbraw/zinc/19/54/71/984195471.db2.gz UXTRJJWFWNAPCN-CABCVRRESA-N -1 0 337.803 3.227 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1ccc(Cl)cc1OCC)C(=O)[O-] ZINC001588792651 984211491 /nfs/dbraw/zinc/21/14/91/984211491.db2.gz KXDFCTIDGXOPKJ-CYBMUJFWSA-N -1 0 325.792 3.278 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1ccncc1Oc1ccccc1)C(=O)[O-] ZINC001588792975 984215184 /nfs/dbraw/zinc/21/51/84/984215184.db2.gz JCFPPDUXRCFSKI-INIZCTEOSA-N -1 0 340.379 3.413 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1ccccc1NC(=O)C(C)(C)C)C(=O)[O-] ZINC001588793257 984217636 /nfs/dbraw/zinc/21/76/36/984217636.db2.gz NJVFRSBRKPXCSA-HNNXBMFYSA-N -1 0 346.427 3.211 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1cnc2c(F)ccc(F)c2c1)C(=O)[O-] ZINC001588798034 984232737 /nfs/dbraw/zinc/23/27/37/984232737.db2.gz RSJNLADXCSHYTC-AWEZNQCLSA-N -1 0 334.322 3.052 20 30 EGEDRM C=CCN(Cc1cc(C(=O)[O-])c(C)o1)Cc1cc(C(=O)OC)c(C)o1 ZINC001588829286 984312865 /nfs/dbraw/zinc/31/28/65/984312865.db2.gz OGVKWOUBLWDEST-UHFFFAOYSA-N -1 0 347.367 3.162 20 30 EGEDRM C=CCN(c1ccccc1)S(=O)(=O)CC1(C(=O)[O-])CCCCC1 ZINC001588831776 984316972 /nfs/dbraw/zinc/31/69/72/984316972.db2.gz PIYREVRLIOTHJH-UHFFFAOYSA-N -1 0 337.441 3.044 20 30 EGEDRM C=CCOc1cc(OC)ccc1C(=O)OCc1cc(C(=O)[O-])c(C)o1 ZINC001588869539 984439199 /nfs/dbraw/zinc/43/91/99/984439199.db2.gz JQADLXFMDLJROY-UHFFFAOYSA-N -1 0 346.335 3.217 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001588882442 984463055 /nfs/dbraw/zinc/46/30/55/984463055.db2.gz SOXLGMXATBKZEY-YUTCNCBUSA-N -1 0 330.380 3.464 20 30 EGEDRM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1ccc2c(C#N)c[nH]c2c1 ZINC001599888807 984669761 /nfs/dbraw/zinc/66/97/61/984669761.db2.gz UJVMDDHMAIYQMH-CYBMUJFWSA-N -1 0 347.374 3.155 20 30 EGEDRM CC(N=Nc1cccc(F)c1C(=O)[O-])[C@@H](C)NC(=O)OC(C)(C)C ZINC001589017187 985001267 /nfs/dbraw/zinc/00/12/67/985001267.db2.gz AQIJQWLLURYITG-SECBINFHSA-N -1 0 339.367 3.225 20 30 EGEDRM CC(=NOCC[C@@H](O)c1ccccc1)c1ccc(OCC(=O)[O-])cc1 ZINC001589021009 985009315 /nfs/dbraw/zinc/00/93/15/985009315.db2.gz IZLJBFAAJCMJPN-GOSISDBHSA-N -1 0 343.379 3.014 20 30 EGEDRM Cc1[nH]c(C(=O)[C@@H](C)SCc2ccc(C#N)o2)c(C)c1C(=O)[O-] ZINC001599948312 985566217 /nfs/dbraw/zinc/56/62/17/985566217.db2.gz MLLJFZCKMHTCTK-SNVBAGLBSA-N -1 0 332.381 3.299 20 30 EGEDRM Cc1[nH]c(C(=O)[C@@H](C)SCc2nc(C#N)cs2)c(C)c1C(=O)[O-] ZINC001599948349 985567371 /nfs/dbraw/zinc/56/73/71/985567371.db2.gz NFXUFMNGZONGPR-SECBINFHSA-N -1 0 349.437 3.163 20 30 EGEDRM Cc1[nH]c(C(=O)Nc2cc(C#N)ccc2NC2CC2)c(C)c1C(=O)[O-] ZINC001599953999 985656121 /nfs/dbraw/zinc/65/61/21/985656121.db2.gz QMTDDHSXNHFDOL-UHFFFAOYSA-N -1 0 338.367 3.028 20 30 EGEDRM Cc1[nH]c2ccccc2c1C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001599966771 985920451 /nfs/dbraw/zinc/92/04/51/985920451.db2.gz ZKEPTOAUAGLHKT-KRWDZBQOSA-N -1 0 334.331 3.331 20 30 EGEDRM Cc1c(C#N)cccc1C(=O)N(CCCC(=O)[O-])Cc1ccccc1 ZINC001599973385 986047832 /nfs/dbraw/zinc/04/78/32/986047832.db2.gz QNANWZXTLSBRCV-UHFFFAOYSA-N -1 0 336.391 3.374 20 30 EGEDRM Cc1c(C#N)cccc1NC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001599975105 986076926 /nfs/dbraw/zinc/07/69/26/986076926.db2.gz SFMJOHILRZMQMK-AWEZNQCLSA-N -1 0 329.400 3.221 20 30 EGEDRM C[C@H](C#N)CN(C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1)C1CC1 ZINC001589329759 986166128 /nfs/dbraw/zinc/16/61/28/986166128.db2.gz RTDTYAVKZSBOSD-SNVBAGLBSA-N -1 0 326.356 3.022 20 30 EGEDRM C[C@@H](C#N)CNC(=O)Nc1ccc(Cl)cc1SCCC(=O)[O-] ZINC001589330510 986173306 /nfs/dbraw/zinc/17/33/06/986173306.db2.gz HTEYWSFJMCTDIJ-VIFPVBQESA-N -1 0 341.820 3.188 20 30 EGEDRM C[C@@H](C#N)CN(Cc1c(Br)cccc1C(=O)[O-])C1CC1 ZINC001589330686 986176907 /nfs/dbraw/zinc/17/69/07/986176907.db2.gz NNCLDNHWWPYYET-JTQLQIEISA-N -1 0 337.217 3.271 20 30 EGEDRM CCOc1ccc(C=NNc2ccc(CC(=O)[O-])cc2)cc1OC ZINC001597082456 986636816 /nfs/dbraw/zinc/63/68/16/986636816.db2.gz PRGCEMMTKGBYAX-UHFFFAOYSA-N -1 0 328.368 3.167 20 30 EGEDRM CC[C@H](C#N)C(=O)N(Cc1ccoc1C(=O)[O-])[C@@H](C)c1ccccn1 ZINC001594722406 987212612 /nfs/dbraw/zinc/21/26/12/987212612.db2.gz OUDCMWIUZWCIOP-QWHCGFSZSA-N -1 0 341.367 3.012 20 30 EGEDRM CC(C)(C(=O)OCc1ccc(C(=O)[O-])s1)c1ccc(C#N)cc1 ZINC001589681257 987710616 /nfs/dbraw/zinc/71/06/16/987710616.db2.gz PRCJUIUOUYXXHX-UHFFFAOYSA-N -1 0 329.377 3.339 20 30 EGEDRM CCc1ccc(C(=O)[O-])c(OC(=O)[C@H](C)Oc2ccc(C#N)cc2)c1 ZINC001597503355 988070605 /nfs/dbraw/zinc/07/06/05/988070605.db2.gz QNJLVOCUVVAKEP-LBPRGKRZSA-N -1 0 339.347 3.192 20 30 EGEDRM CCc1nc(NC(=O)[C@@H](CC#N)c2ccccc2)sc1C(=O)[O-] ZINC001597676308 988790366 /nfs/dbraw/zinc/79/03/66/988790366.db2.gz SUACYDXQUGTEGW-NSHDSACASA-N -1 0 329.381 3.040 20 30 EGEDRM C[C@@H]1CN(C(=O)Nc2scc(C(C)(C)C)c2C#N)C[C@H]1C(=O)[O-] ZINC001599861690 989177789 /nfs/dbraw/zinc/17/77/89/989177789.db2.gz QQIVMOHJUMSYMB-MWLCHTKSSA-N -1 0 335.429 3.102 20 30 EGEDRM CCc1oc(/C=C2\S/C(=N/C3CCCCC3)NC2=O)cc1C(=O)[O-] ZINC001597790664 989313371 /nfs/dbraw/zinc/31/33/71/989313371.db2.gz CEEOBKZDJLQZAG-ZROIWOOFSA-N -1 0 348.424 3.433 20 30 EGEDRM CN(C(=O)c1ccc(C2(C#N)CC2)cc1)C1(C(=O)[O-])CCCCC1 ZINC001598082945 990404586 /nfs/dbraw/zinc/40/45/86/990404586.db2.gz KLKMNNDDYONOQY-UHFFFAOYSA-N -1 0 326.396 3.101 20 30 EGEDRM COc1cccc2cc(CN[C@@H](C(=O)[O-])c3ccc(C#N)cc3)oc21 ZINC001599692567 991094299 /nfs/dbraw/zinc/09/42/99/991094299.db2.gz MZAOHPRRNVRJSK-QGZVFWFLSA-N -1 0 336.347 3.229 20 30 EGEDRM CN(C)c1cc(C#N)cc(C(=O)Nc2cccc(C(=O)[O-])c2Cl)c1 ZINC001598288608 991197007 /nfs/dbraw/zinc/19/70/07/991197007.db2.gz ZOSRUBVYFWERHE-UHFFFAOYSA-N -1 0 343.770 3.228 20 30 EGEDRM COc1ccccc1C1(NCc2cccc(C(=O)[O-])c2C#N)CCC1 ZINC001599703436 991256093 /nfs/dbraw/zinc/25/60/93/991256093.db2.gz FDGYYQMHANJCFC-UHFFFAOYSA-N -1 0 336.391 3.434 20 30 EGEDRM CC(C)CCN(CCC#N)C(=O)Nc1ccc(C(=O)[O-])cc1N(C)C ZINC001591245587 992138686 /nfs/dbraw/zinc/13/86/86/992138686.db2.gz ZKIJETKXDFOZPJ-UHFFFAOYSA-N -1 0 346.431 3.244 20 30 EGEDRM CC(C)CN(C(=O)c1csc(C(=O)[O-])n1)c1ccc(C#N)cc1 ZINC001591284570 992219451 /nfs/dbraw/zinc/21/94/51/992219451.db2.gz AIQYWBWTOGCFOL-UHFFFAOYSA-N -1 0 329.381 3.016 20 30 EGEDRM CN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC001598509243 992548378 /nfs/dbraw/zinc/54/83/78/992548378.db2.gz KVXMFBKOCHQAOQ-UHFFFAOYSA-N -1 0 345.305 3.199 20 30 EGEDRM CN(Cc1ccc(C(=O)[O-])cc1)C(=S)Nc1ccccc1C#N ZINC001598513015 992583237 /nfs/dbraw/zinc/58/32/37/992583237.db2.gz IFXBXTVDYLJEOU-UHFFFAOYSA-N -1 0 325.393 3.085 20 30 EGEDRM CC(C)Cc1ccc(NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)cc1 ZINC001591484127 992606769 /nfs/dbraw/zinc/60/67/69/992606769.db2.gz REWGUDWIPMJPTO-UHFFFAOYSA-N -1 0 329.400 3.107 20 30 EGEDRM COc1ccc2c(c1)C(=O)/C(=C/c1cc(C(=O)[O-])oc1C)CCO2 ZINC001599626416 994155912 /nfs/dbraw/zinc/15/59/12/994155912.db2.gz RTTWHNQVNIFUBK-YRNVUSSQSA-N -1 0 328.320 3.344 20 30 EGEDRM COC(=O)[C@@H](Sc1cccc(F)c1C#N)c1cccc(C(=O)[O-])c1 ZINC001598713699 995378195 /nfs/dbraw/zinc/37/81/95/995378195.db2.gz XGFGFDRAUNOTDZ-HNNXBMFYSA-N -1 0 345.351 3.402 20 30 EGEDRM C[C@H](OC(=O)C1(c2ccc(C#N)cc2)CC1)c1cc(C(=O)[O-])co1 ZINC001593497091 995481381 /nfs/dbraw/zinc/48/13/81/995481381.db2.gz VUHHEDPXYFOLNB-NSHDSACASA-N -1 0 325.320 3.185 20 30 EGEDRM C[C@@]1(C#N)CCN(C(=O)Nc2cccc(SCCC(=O)[O-])c2)C1 ZINC001593743414 996367786 /nfs/dbraw/zinc/36/77/86/996367786.db2.gz XUNOYRXKKHFIQH-INIZCTEOSA-N -1 0 333.413 3.021 20 30 EGEDRM CC(C)(C)c1csc(NC(=O)N2CC[C@](C)(C(=O)[O-])C2)c1C#N ZINC001593792472 996508546 /nfs/dbraw/zinc/50/85/46/996508546.db2.gz CWEPYSDPJYMTRB-INIZCTEOSA-N -1 0 335.429 3.246 20 30 EGEDRM COC(=O)c1c(OCCCCC2(C#N)CCC2)cccc1C(=O)[O-] ZINC001598915432 997454897 /nfs/dbraw/zinc/45/48/97/997454897.db2.gz AZDUVNYLPRLNPE-UHFFFAOYSA-N -1 0 331.368 3.414 20 30 EGEDRM COCCOCc1cc(C#N)ccc1NCc1ccc(C(=O)[O-])cc1 ZINC001599251278 998234542 /nfs/dbraw/zinc/23/45/42/998234542.db2.gz AAKZRGALHLUKHA-UHFFFAOYSA-N -1 0 340.379 3.032 20 30 EGEDRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC001594156044 998566920 /nfs/dbraw/zinc/56/69/20/998566920.db2.gz IVIBGEVGMNPLNH-CRAIPNDOSA-N -1 0 348.402 3.413 20 30 EGEDRM C=CCOCCCC(=O)N[C@@H](CC(=O)[O-])c1ccc2ccccc2c1 ZINC000262937531 245260364 /nfs/dbraw/zinc/26/03/64/245260364.db2.gz GKMBUNGGZADQGG-SFHVURJKSA-N -1 0 341.407 3.455 20 30 EGEDRM C=CCCC(=O)N[C@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC000097017845 218916277 /nfs/dbraw/zinc/91/62/77/218916277.db2.gz JGUNNZSRGVHPRA-GFCCVEGCSA-N -1 0 326.190 3.047 20 30 EGEDRM C=CCCO[C@@H](C)C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000268905771 255492512 /nfs/dbraw/zinc/49/25/12/255492512.db2.gz MXEGNPUXPYOTHI-ZDUSSCGKSA-N -1 0 337.441 3.314 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2cc(C#N)c3ccccc3n2)c(C)o1 ZINC000351228831 144260254 /nfs/dbraw/zinc/26/02/54/144260254.db2.gz WDQNPUDEULWXES-UHFFFAOYSA-N -1 0 327.365 3.117 20 30 EGEDRM N#Cc1cc([N-]S(=O)(=O)c2ccc(F)cc2)nc2ccccc12 ZINC000351223919 144260536 /nfs/dbraw/zinc/26/05/36/144260536.db2.gz NUMOCNKBUJNMGJ-UHFFFAOYSA-N -1 0 327.340 3.046 20 30 EGEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)cc2C#N)c1 ZINC000179167087 162683720 /nfs/dbraw/zinc/68/37/20/162683720.db2.gz CJPUABGZXIPBLS-UHFFFAOYSA-N -1 0 335.747 3.023 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-][C@H](CC(F)(F)F)c2ccccc2)o1 ZINC000344302968 164150812 /nfs/dbraw/zinc/15/08/12/164150812.db2.gz BRLUVYJXFJVBAM-GFCCVEGCSA-N -1 0 344.314 3.123 20 30 EGEDRM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000431178857 269904757 /nfs/dbraw/zinc/90/47/57/269904757.db2.gz BALFUUVFMCXHLS-UHFFFAOYSA-N -1 0 341.314 3.081 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2OCC2CC2)s1 ZINC000435479348 269968701 /nfs/dbraw/zinc/96/87/01/269968701.db2.gz YFWKSRHOSOIBFU-UHFFFAOYSA-N -1 0 334.422 3.209 20 30 EGEDRM N#Cc1cccc(S(=O)(=O)[N-]C(=O)C=Cc2cccc(F)c2)c1 ZINC000048597782 270037745 /nfs/dbraw/zinc/03/77/45/270037745.db2.gz UZRQHNGCGQDHSC-BQYQJAHWSA-N -1 0 330.340 3.056 20 30 EGEDRM Cc1ccc(-c2n[nH]c([N-]S(=O)(=O)c3ccc(C#N)s3)c2C)o1 ZINC000435488352 270051372 /nfs/dbraw/zinc/05/13/72/270051372.db2.gz ZENMZWIYBQTZSG-UHFFFAOYSA-N -1 0 348.409 3.021 20 30 EGEDRM CCCCc1nc2cc([N-]S(=O)(=O)c3ccc(C#N)o3)ccc2[nH]1 ZINC000288467028 266040089 /nfs/dbraw/zinc/04/00/89/266040089.db2.gz KIFYWVMXDCMUFW-UHFFFAOYSA-N -1 0 344.396 3.171 20 30 EGEDRM CC(=Cc1cc(Br)ccc1F)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000193614782 266046504 /nfs/dbraw/zinc/04/65/04/266046504.db2.gz CHOLQLWGXJAWTG-YVMONPNESA-N -1 0 348.175 3.412 20 30 EGEDRM CCCN(Cc1ccc(C#N)cc1)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000162635145 266050893 /nfs/dbraw/zinc/05/08/93/266050893.db2.gz VFIPOTXYRDGWCS-UHFFFAOYSA-N -1 0 339.351 3.224 20 30 EGEDRM CCOc1cccc(S(=O)(=O)[N-]c2cc(C#N)ccc2OCC)c1 ZINC000443415149 267173625 /nfs/dbraw/zinc/17/36/25/267173625.db2.gz QDLLDLUGFPNJOJ-UHFFFAOYSA-N -1 0 346.408 3.156 20 30 EGEDRM Cc1cc(Oc2ncccn2)ccc1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000188384431 267352034 /nfs/dbraw/zinc/35/20/34/267352034.db2.gz UBMUAYFDCVHJEG-UHFFFAOYSA-N -1 0 346.346 3.407 20 30 EGEDRM COc1ccc(CN=c2[n-]nc(-c3ccc4c(c3)CCC4)o2)cc1C#N ZINC000453051093 267627383 /nfs/dbraw/zinc/62/73/83/267627383.db2.gz XLLHOYSVXPWPIM-UHFFFAOYSA-N -1 0 346.390 3.140 20 30 EGEDRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)Nc2cccc(C#N)c2)n1 ZINC000432327745 268005164 /nfs/dbraw/zinc/00/51/64/268005164.db2.gz UHDGHDLDGZWXCH-UHFFFAOYSA-N -1 0 336.326 3.149 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2F)cc1Cl ZINC000192704383 268162198 /nfs/dbraw/zinc/16/21/98/268162198.db2.gz VIHVLZISDLUECP-UHFFFAOYSA-N -1 0 328.727 3.291 20 30 EGEDRM CC(C)c1ccccc1S(=O)(=O)[N-]c1nc2c(cc1C#N)CCC2 ZINC000451014783 269635004 /nfs/dbraw/zinc/63/50/04/269635004.db2.gz DCSFWJSBRQUHRX-UHFFFAOYSA-N -1 0 341.436 3.366 20 30 EGEDRM Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)[N-]c1nn(C)cc1C#N ZINC000123337130 307538180 /nfs/dbraw/zinc/53/81/80/307538180.db2.gz FQCJTESARVBBBM-UHFFFAOYSA-N -1 0 346.456 3.007 20 30 EGEDRM CSc1cccc([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)c1 ZINC000127959573 307593023 /nfs/dbraw/zinc/59/30/23/307593023.db2.gz LORUIHZAQNDWOX-UHFFFAOYSA-N -1 0 340.376 3.359 20 30 EGEDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc(C#N)ccc2C)c1C ZINC000162780710 307916271 /nfs/dbraw/zinc/91/62/71/307916271.db2.gz HDQDBFQZQYLWCR-UHFFFAOYSA-N -1 0 345.380 3.193 20 30 EGEDRM CCc1ccc(S(=O)(=O)[N-]c2cc(C#N)c3ccccc3n2)cc1 ZINC000508113001 312088911 /nfs/dbraw/zinc/08/89/11/312088911.db2.gz PJYGCBSJNIFVSE-UHFFFAOYSA-N -1 0 337.404 3.470 20 30 EGEDRM CC(C)Cn1ncc([N-]S(=O)(=O)c2ccccc2C#N)c1C1CC1 ZINC000565738593 316363742 /nfs/dbraw/zinc/36/37/42/316363742.db2.gz XCYIWUOVXUEBQV-UHFFFAOYSA-N -1 0 344.440 3.089 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2)s1 ZINC000230334555 456137558 /nfs/dbraw/zinc/13/75/58/456137558.db2.gz XJFMJKIIZHTWNC-UHFFFAOYSA-N -1 0 330.337 3.022 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)nc1 ZINC000231727890 456142435 /nfs/dbraw/zinc/14/24/35/456142435.db2.gz KDLIGXIDZMLNNE-UHFFFAOYSA-N -1 0 346.170 3.200 20 30 EGEDRM CC(C)(C)c1ccc(O)c([N-]S(=O)(=O)c2ccc(C#N)s2)c1 ZINC000388658442 324277324 /nfs/dbraw/zinc/27/73/24/324277324.db2.gz FUXGIAHRNUNFLY-UHFFFAOYSA-N -1 0 336.438 3.424 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nc(C3CCC3)cs2)c(F)c1 ZINC000581230421 325343393 /nfs/dbraw/zinc/34/33/93/325343393.db2.gz FBYHSIXJWIWGTG-UHFFFAOYSA-N -1 0 337.401 3.222 20 30 EGEDRM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C#N)cc1 ZINC000180735589 455235696 /nfs/dbraw/zinc/23/56/96/455235696.db2.gz DFXPKBHZEXDSKA-UHFFFAOYSA-N -1 0 334.372 3.285 20 30 EGEDRM Cc1ccccc1CS(=O)(=O)[N-]c1ncccc1OCCCC#N ZINC000180810674 455249151 /nfs/dbraw/zinc/24/91/51/455249151.db2.gz LFIWQXCKLSYLJE-UHFFFAOYSA-N -1 0 345.424 3.015 20 30 EGEDRM N#Cc1cnc(N2CCC(c3nc(C(=O)[O-])cs3)CC2)c(Cl)c1 ZINC000600674748 460565141 /nfs/dbraw/zinc/56/51/41/460565141.db2.gz HHCLFNZFFZOETA-UHFFFAOYSA-N -1 0 348.815 3.145 20 30 EGEDRM C=CCN(c1ccccc1)S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000013087830 453445100 /nfs/dbraw/zinc/44/51/00/453445100.db2.gz XNYGODLVGRNWOZ-UHFFFAOYSA-N -1 0 345.420 3.085 20 30 EGEDRM C[C@@H]1CN(c2c(C#N)cnc3c(Cl)cccc32)CC[C@@H]1C(=O)[O-] ZINC000600800553 460610084 /nfs/dbraw/zinc/61/00/84/460610084.db2.gz MMLAJVMNDPJRMM-PWSUYJOCSA-N -1 0 329.787 3.307 20 30 EGEDRM N#Cc1nc(NC(=O)c2cc3c(s2)-c2ccccc2OC3)[n-]c1C#N ZINC000026275892 453795918 /nfs/dbraw/zinc/79/59/18/453795918.db2.gz DSAYNEMGGPMBMG-UHFFFAOYSA-N -1 0 347.359 3.026 20 30 EGEDRM N#CC(=C([O-])c1ccc2c(c1)CCC(=O)N2)c1nc2ccccc2o1 ZINC000041543006 453971462 /nfs/dbraw/zinc/97/14/62/453971462.db2.gz GXCIHAACCVGQDB-ZDUSSCGKSA-N -1 0 331.331 3.203 20 30 EGEDRM O=C(C=CC1CC1)[N-]S(=O)(=O)c1ccccc1Br ZINC000076766573 454034621 /nfs/dbraw/zinc/03/46/21/454034621.db2.gz VDQNVPQBLRVXQL-BQYQJAHWSA-N -1 0 330.203 3.061 20 30 EGEDRM CC(C)Oc1ccc(C#N)cc1[N-]S(=O)(=O)CCc1ccccc1 ZINC000057122708 454103704 /nfs/dbraw/zinc/10/37/04/454103704.db2.gz FSGTXXJFNYCMKW-UHFFFAOYSA-N -1 0 344.436 3.330 20 30 EGEDRM Cc1cc(S(=O)(=O)N[C@@]2(C#N)CCC[C@H](C)C2)c(F)cc1F ZINC000182012801 455416435 /nfs/dbraw/zinc/41/64/35/455416435.db2.gz TYYIBBSBPPTCFY-BONVTDFDSA-N -1 0 328.384 3.024 20 30 EGEDRM O=C(C=Cc1cnc2ccccc2n1)[N-]S(=O)(=O)c1cccs1 ZINC000077942365 454171287 /nfs/dbraw/zinc/17/12/87/454171287.db2.gz CQEHVQURQMCRNG-BQYQJAHWSA-N -1 0 345.405 3.050 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]C(=O)C=Cc2cncc(F)c2)c(C)s1 ZINC000095443221 454214031 /nfs/dbraw/zinc/21/40/31/454214031.db2.gz DPNOMYVZICVIIH-ONEGZZNKSA-N -1 0 340.401 3.258 20 30 EGEDRM CN(CC#Cc1cccc(Cl)c1)Cc1nc(=O)c2sccc2[n-]1 ZINC000131676240 454276340 /nfs/dbraw/zinc/27/63/40/454276340.db2.gz QTUHAWSHWWASEQ-UHFFFAOYSA-N -1 0 343.839 3.122 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)C=Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000046927346 454302030 /nfs/dbraw/zinc/30/20/30/454302030.db2.gz HSFPOQNEVNCTLG-IZZDOVSWSA-N -1 0 346.364 3.262 20 30 EGEDRM N#CCc1ccc(NC(=O)c2ccc(Br)c([O-])c2)cc1 ZINC000133000858 454384357 /nfs/dbraw/zinc/38/43/57/454384357.db2.gz RCZAAFQQAIDVKS-UHFFFAOYSA-N -1 0 331.169 3.473 20 30 EGEDRM CCC(CC)S(=O)(=O)[N-]C(=O)C=Cc1cnc2ccccc2n1 ZINC000073837915 454489718 /nfs/dbraw/zinc/48/97/18/454489718.db2.gz BFQLORRQWHUTFP-MDZDMXLPSA-N -1 0 333.413 3.118 20 30 EGEDRM CCc1ncncc1C([O-])=C(C#N)c1nc2ccccc2n1C(F)F ZINC000051656481 454633753 /nfs/dbraw/zinc/63/37/53/454633753.db2.gz XHIGQDOTLQFORR-SNVBAGLBSA-N -1 0 341.321 3.274 20 30 EGEDRM Cc1cccc(S(=O)(=O)[N-]c2ccc(-c3cc[nH]n3)cc2)c1C#N ZINC000137308945 454776762 /nfs/dbraw/zinc/77/67/62/454776762.db2.gz XBINJCIGMWZRGA-UHFFFAOYSA-N -1 0 338.392 3.058 20 30 EGEDRM Cc1nn(C)c2ncc(C([O-])=C(C#N)c3nc(C(C)C)cs3)cc12 ZINC000177743260 454898498 /nfs/dbraw/zinc/89/84/98/454898498.db2.gz QHFYQAWEGOJYJG-CYBMUJFWSA-N -1 0 339.424 3.347 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])c(/C=N/[C@@H]2CCCN(c3ccccc3)C2)c1 ZINC000114990678 454989475 /nfs/dbraw/zinc/98/94/75/454989475.db2.gz MSNSSSNYOWQWIJ-IYSPOMMRSA-N -1 0 325.368 3.388 20 30 EGEDRM COCc1nc(C)c(C([O-])=C(C#N)c2nc3ccccc3o2)s1 ZINC000179009066 454998042 /nfs/dbraw/zinc/99/80/42/454998042.db2.gz SYLUCVNZMHEQEQ-SNVBAGLBSA-N -1 0 327.365 3.229 20 30 EGEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c(F)c1 ZINC000127960980 455014224 /nfs/dbraw/zinc/01/42/24/455014224.db2.gz KRDDGXIKOAJYFK-UHFFFAOYSA-N -1 0 328.727 3.291 20 30 EGEDRM Cc1ccc(-c2ccc(C(=O)N3CCC[C@H]3C(=O)[O-])cc2)cc1C#N ZINC000600965566 460659084 /nfs/dbraw/zinc/65/90/84/460659084.db2.gz SAGLHOQJJMMEDH-SFHVURJKSA-N -1 0 334.375 3.223 20 30 EGEDRM CCCNc1ccc(C#N)cc1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000119054218 455122811 /nfs/dbraw/zinc/12/28/11/455122811.db2.gz ZRADJQBCDAYNDV-UHFFFAOYSA-N -1 0 340.339 3.246 20 30 EGEDRM N#Cc1cc([N-]S(=O)(=O)c2cccc(F)c2F)ccc1Cl ZINC000158574226 455314055 /nfs/dbraw/zinc/31/40/55/455314055.db2.gz YEBAWFBUZUJHEV-UHFFFAOYSA-N -1 0 328.727 3.291 20 30 EGEDRM C=CCN(Cc1ccccc1)S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000184931492 455474612 /nfs/dbraw/zinc/47/46/12/455474612.db2.gz LMEDLISLEPFHMT-UHFFFAOYSA-N -1 0 345.420 3.070 20 30 EGEDRM C=C1CCN(C(=O)c2nn(-c3cccc(C(C)C)c3)cc2[O-])CC1 ZINC000267854903 455557116 /nfs/dbraw/zinc/55/71/16/455557116.db2.gz QUPXCLNUTOWDFS-UHFFFAOYSA-N -1 0 325.412 3.494 20 30 EGEDRM C=CCC(CC=C)C(=O)NC[C@H](Cc1ccc(OCC)cc1)C(=O)[O-] ZINC000271901706 455798567 /nfs/dbraw/zinc/79/85/67/455798567.db2.gz KWAFFCZYMNHECS-KRWDZBQOSA-N -1 0 345.439 3.213 20 30 EGEDRM CCC(=O)c1ccc(Cl)c(S(=O)(=O)N[C@@H](C#N)C(C)(C)C)c1 ZINC000280255625 455928284 /nfs/dbraw/zinc/92/82/84/455928284.db2.gz JHZRBXWECOQTBX-AWEZNQCLSA-N -1 0 342.848 3.149 20 30 EGEDRM C=CCC[C@H](NC(=O)[C@H](C)Sc1ccccc1Cl)C(=O)[O-] ZINC000262910970 456068114 /nfs/dbraw/zinc/06/81/14/456068114.db2.gz NEWBUUHTYCXOTE-JQWIXIFHSA-N -1 0 327.833 3.356 20 30 EGEDRM COc1ccc(OC(C)C)c(NC(=O)c2ccc(C#N)c([O-])c2)c1 ZINC000188567447 456085390 /nfs/dbraw/zinc/08/53/90/456085390.db2.gz GDSDVFRNFAYQLQ-UHFFFAOYSA-N -1 0 326.352 3.312 20 30 EGEDRM C=C[C@H](C)Nc1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2)cn1 ZINC000301617672 456164012 /nfs/dbraw/zinc/16/40/12/456164012.db2.gz WJWRDRHWHICRJU-JTQLQIEISA-N -1 0 339.367 3.147 20 30 EGEDRM CC(C)(C)c1coc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)n1 ZINC000340368397 456417611 /nfs/dbraw/zinc/41/76/11/456417611.db2.gz YUNPEJIJJZIJRR-UHFFFAOYSA-N -1 0 339.804 3.298 20 30 EGEDRM N#Cc1cccnc1[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000340633528 456587872 /nfs/dbraw/zinc/58/78/72/456587872.db2.gz IXBKKLLDTRZDMG-UHFFFAOYSA-N -1 0 346.170 3.200 20 30 EGEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1cc(Cl)ccc1OC(F)(F)F ZINC000328230319 456711517 /nfs/dbraw/zinc/71/15/17/456711517.db2.gz CVBHZVYODWIJRS-QMMMGPOBSA-N -1 0 342.726 3.282 20 30 EGEDRM O=C(Nc1ncn(C2CCCCC2)n1)c1coc(C2CCOCC2)n1 ZINC000328768836 456757726 /nfs/dbraw/zinc/75/77/26/456757726.db2.gz BXFGYLIKSMHVRI-UHFFFAOYSA-N -1 0 345.403 3.302 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(CC(F)(F)F)c2)o1 ZINC000340956851 456782769 /nfs/dbraw/zinc/78/27/69/456782769.db2.gz NSBJAYDIEMOYKT-UHFFFAOYSA-N -1 0 330.287 3.057 20 30 EGEDRM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)N[C@H]1CCC(C)(C)C1 ZINC000329068131 456826935 /nfs/dbraw/zinc/82/69/35/456826935.db2.gz MHRAMDFDVFBDOO-JTQLQIEISA-N -1 0 334.445 3.321 20 30 EGEDRM COCCn1cc(C/N=C/c2cc(Cl)cc(Cl)c2[O-])cn1 ZINC000283744387 456834279 /nfs/dbraw/zinc/83/42/79/456834279.db2.gz DZKCHBIPSBQNKK-CAOOACKPSA-N -1 0 328.199 3.161 20 30 EGEDRM CCOc1ccc([N+](=O)[O-])c(C([O-])=C(C#N)c2nc(C)cs2)c1 ZINC000338622201 456845287 /nfs/dbraw/zinc/84/52/87/456845287.db2.gz HTRNQPKJYSJFGQ-GFCCVEGCSA-N -1 0 331.353 3.249 20 30 EGEDRM CC(C)(C)n1cc(C#N)c(=NC(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]23)[n-]1 ZINC000329660168 456923603 /nfs/dbraw/zinc/92/36/03/456923603.db2.gz OJRFNILMPBZIEV-NUEKZKHPSA-N -1 0 328.460 3.477 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)N[C@@H](C)c2c(F)cccc2F)cc1C#N ZINC000353837378 456929742 /nfs/dbraw/zinc/92/97/42/456929742.db2.gz UARDKHUDEXHJMW-QMMMGPOBSA-N -1 0 349.362 3.150 20 30 EGEDRM CC(C)c1csc(C(C#N)=C([O-])c2ccnc(-n3cccn3)c2)n1 ZINC000353876865 456946431 /nfs/dbraw/zinc/94/64/31/456946431.db2.gz NCHWMNJENGHWAX-CYBMUJFWSA-N -1 0 337.408 3.337 20 30 EGEDRM N#CCc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc1 ZINC000345797541 456994773 /nfs/dbraw/zinc/99/47/73/456994773.db2.gz HYFIENGECZSWTN-HNNXBMFYSA-N -1 0 346.745 3.101 20 30 EGEDRM N#CC(=C([O-])c1ccc2nccnc2n1)c1nccc2ccccc21 ZINC000346245309 457025553 /nfs/dbraw/zinc/02/55/53/457025553.db2.gz SDQGXEOOCGRZBX-AWEZNQCLSA-N -1 0 325.331 3.063 20 30 EGEDRM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2n[nH]c(C3CC3)c2C#N)c1C ZINC000362656616 457028722 /nfs/dbraw/zinc/02/87/22/457028722.db2.gz MNCQIVWFFGCNKX-UHFFFAOYSA-N -1 0 344.440 3.193 20 30 EGEDRM CCCc1nc(=NC(=O)N[C@@H]2CCC[C@@H](SCC)C2)s[n-]1 ZINC000330487723 457048768 /nfs/dbraw/zinc/04/87/68/457048768.db2.gz IAZXCAAMKWGBKP-GHMZBOCLSA-N -1 0 328.507 3.303 20 30 EGEDRM CCCc1nc(=NC(=O)N[C@@H]2CCC[C@H](SCC)C2)s[n-]1 ZINC000330487724 457048838 /nfs/dbraw/zinc/04/88/38/457048838.db2.gz IAZXCAAMKWGBKP-MNOVXSKESA-N -1 0 328.507 3.303 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)N[C@]2(C#N)CCC[C@@H](C)C2)cc1C#N ZINC000330730986 457078269 /nfs/dbraw/zinc/07/82/69/457078269.db2.gz KGQSNFLEBPXPOY-QLJPJBMISA-N -1 0 330.413 3.158 20 30 EGEDRM C[C@H](Oc1ccc2ccccc2c1)C(=O)N=c1[nH][n-]c(C2CC2)c1C#N ZINC000359714932 457124917 /nfs/dbraw/zinc/12/49/17/457124917.db2.gz IKHGFEJGMARGQV-LBPRGKRZSA-N -1 0 346.390 3.140 20 30 EGEDRM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000349968987 457125257 /nfs/dbraw/zinc/12/52/57/457125257.db2.gz FAFPREUZUUBNSY-UHFFFAOYSA-N -1 0 344.289 3.224 20 30 EGEDRM N#CC(=C([O-])c1cc2cc(Br)ccc2o1)c1ccncn1 ZINC000354464725 457240762 /nfs/dbraw/zinc/24/07/62/457240762.db2.gz KOXRUFOPRXTBFP-LLVKDONJSA-N -1 0 342.152 3.475 20 30 EGEDRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N[C@H]3CCC[C@H]3C#N)n2)cc1 ZINC000332103194 457305122 /nfs/dbraw/zinc/30/51/22/457305122.db2.gz DCBLUKGCKPDGME-HOCLYGCPSA-N -1 0 338.411 3.123 20 30 EGEDRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N[C@H]3CCC[C@@H]3C#N)n2)c1 ZINC000332142171 457312250 /nfs/dbraw/zinc/31/22/50/457312250.db2.gz NSPMEZJUUUQFBE-ZBFHGGJFSA-N -1 0 338.411 3.123 20 30 EGEDRM C=CCOc1cccnc1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000351782145 457316747 /nfs/dbraw/zinc/31/67/47/457316747.db2.gz PFEXSDXASPHTTM-UHFFFAOYSA-N -1 0 349.730 3.166 20 30 EGEDRM Cc1cn(-c2ccccc2)nc1C([O-])=C(C#N)c1cc(C)nc(C)n1 ZINC000352323633 457356023 /nfs/dbraw/zinc/35/60/23/457356023.db2.gz GQPYFMARTXXDRA-INIZCTEOSA-N -1 0 331.379 3.078 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2cc(Br)cc(Cl)c2[O-])[nH]1 ZINC000342592219 457386599 /nfs/dbraw/zinc/38/65/99/457386599.db2.gz FDTVJXWEAXQSLE-UHFFFAOYSA-N -1 0 340.564 3.260 20 30 EGEDRM C=CC[C@@H](CC)NS(=O)(=O)c1cc(C)c(Br)s1 ZINC000393786941 457468486 /nfs/dbraw/zinc/46/84/86/457468486.db2.gz OUXNVGNVANABTK-SECBINFHSA-N -1 0 338.292 3.452 20 30 EGEDRM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)o2)cc1Br ZINC000361130313 457599984 /nfs/dbraw/zinc/59/99/84/457599984.db2.gz GKVUHMJXDOMADY-UHFFFAOYSA-N -1 0 341.186 3.023 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)nn1C(F)F ZINC000362177052 458038893 /nfs/dbraw/zinc/03/88/93/458038893.db2.gz CPDOSMVSGKBSHX-SECBINFHSA-N -1 0 344.243 3.491 20 30 EGEDRM CC(C)Cn1cc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)cn1 ZINC000362186821 458040786 /nfs/dbraw/zinc/04/07/86/458040786.db2.gz KRKXKTXWCFWENK-CYBMUJFWSA-N -1 0 336.317 3.443 20 30 EGEDRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N[C@]3(C#N)CC3(C)C)n2)cc1 ZINC000427893153 458048271 /nfs/dbraw/zinc/04/82/71/458048271.db2.gz ONOKQZAPIJEGOB-IBGZPJMESA-N -1 0 338.411 3.123 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2N2CCCCC2)s1 ZINC000435472428 458153788 /nfs/dbraw/zinc/15/37/88/458153788.db2.gz FVXHGFBNEXKOQQ-UHFFFAOYSA-N -1 0 347.465 3.411 20 30 EGEDRM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@](C)(CC(=O)[O-])C1CCCCC1 ZINC000435725503 458191452 /nfs/dbraw/zinc/19/14/52/458191452.db2.gz XVEPNCPEKYLQGF-UCLAIMLFSA-N -1 0 337.460 3.145 20 30 EGEDRM C=CCn1c([C@@H]2CCCO2)n[n-]c1=Nc1ccc(OC)c(SC)c1 ZINC000414512828 458320822 /nfs/dbraw/zinc/32/08/22/458320822.db2.gz DOJVZEIGGJXDNJ-AWEZNQCLSA-N -1 0 346.456 3.212 20 30 EGEDRM CC(C)(CCC#N)CNC(=O)N=c1[n-]nc(-c2ccsc2)s1 ZINC000376794199 458390875 /nfs/dbraw/zinc/39/08/75/458390875.db2.gz XIGAKXOAJXOBLU-UHFFFAOYSA-N -1 0 335.458 3.140 20 30 EGEDRM C=C(C)[C@H]1OCC[C@@H]1CN=c1[n-]nc(-c2ccc(OC)cc2)s1 ZINC000420623717 458399467 /nfs/dbraw/zinc/39/94/67/458399467.db2.gz JPRPIGARVGWWHA-UKRRQHHQSA-N -1 0 331.441 3.029 20 30 EGEDRM CC(C)(C)c1n[n-]c(=NCc2nc(-c3cccc(C#N)c3)c[nH]2)s1 ZINC000376854461 458406765 /nfs/dbraw/zinc/40/67/65/458406765.db2.gz ICNBDPOCIOCTGC-UHFFFAOYSA-N -1 0 338.440 3.131 20 30 EGEDRM N#C[C@H]1CC[C@H](Sc2n[n-]c(=NCCc3cccs3)s2)C1 ZINC000450765648 458456423 /nfs/dbraw/zinc/45/64/23/458456423.db2.gz XNTYJZBEXXGQQQ-JQWIXIFHSA-N -1 0 336.511 3.460 20 30 EGEDRM N#C[C@H]([N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)C1CCCCC1 ZINC000450981802 458462072 /nfs/dbraw/zinc/46/20/72/458462072.db2.gz ATYQHNJIJAHTKG-LBPRGKRZSA-N -1 0 348.802 3.369 20 30 EGEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cn(C(C)(C)C)nn2)s1 ZINC000430580083 458465653 /nfs/dbraw/zinc/46/56/53/458465653.db2.gz DIPRDHIQIDCRFQ-JTQLQIEISA-N -1 0 331.445 3.277 20 30 EGEDRM Cn1nnc2cc(C([O-])=C(C#N)c3ncc(C(C)(C)C)s3)ccc21 ZINC000430593520 458467467 /nfs/dbraw/zinc/46/74/67/458467467.db2.gz DYTRQGPUTMUOMZ-NSHDSACASA-N -1 0 339.424 3.212 20 30 EGEDRM CNc1nc(C([O-])=C(C#N)c2nc(C(C)C)cs2)ccc1[N+](=O)[O-] ZINC000453701967 458543322 /nfs/dbraw/zinc/54/33/22/458543322.db2.gz XTGGWRPMVIFLGJ-SECBINFHSA-N -1 0 345.384 3.101 20 30 EGEDRM CC(C)(CCNc1c(C#N)cnc2c(F)ccc(Cl)c21)C(=O)[O-] ZINC000424374742 458627847 /nfs/dbraw/zinc/62/78/47/458627847.db2.gz LPSHWRNPHOECRI-UHFFFAOYSA-N -1 0 335.766 3.234 20 30 EGEDRM C=CCN=c1[n-]nc(SCCOc2ccc(SC)cc2)s1 ZINC000463037250 458672123 /nfs/dbraw/zinc/67/21/23/458672123.db2.gz MBZHXKVOOSHPET-UHFFFAOYSA-N -1 0 339.511 3.451 20 30 EGEDRM N#CCC[C@@H](NC(=O)N=c1ccc(C(F)(F)F)n[n-]1)c1ccccc1 ZINC000471954185 458756662 /nfs/dbraw/zinc/75/66/62/458756662.db2.gz TTXHIKQCMZHYAT-GFCCVEGCSA-N -1 0 349.316 3.084 20 30 EGEDRM O=C([O-])c1cccc(/C=C/C(=O)c2cccc(N3CCOC3=O)c2)c1 ZINC000495326238 458836029 /nfs/dbraw/zinc/83/60/29/458836029.db2.gz IEZZIPZLWWHHIU-BQYQJAHWSA-N -1 0 337.331 3.238 20 30 EGEDRM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3csc(C(C)C)n3)nc1-2 ZINC000530946854 458849018 /nfs/dbraw/zinc/84/90/18/458849018.db2.gz VQKZOCYUIWLPED-SNVBAGLBSA-N -1 0 325.397 3.336 20 30 EGEDRM CCOC(=O)N1CC[C@H](/N=C\c2cc(Cl)cc(Cl)c2[O-])C1 ZINC000495464569 458863165 /nfs/dbraw/zinc/86/31/65/458863165.db2.gz XFJDIALJWQCPAQ-XAXWUXFESA-N -1 0 331.199 3.349 20 30 EGEDRM C=C(C)Cn1c(CC2CCCC2)n[n-]c1=Nc1c(C)nn(C)c1C ZINC000555193502 458904173 /nfs/dbraw/zinc/90/41/73/458904173.db2.gz KAUGHISZHOWZJB-UHFFFAOYSA-N -1 0 328.464 3.103 20 30 EGEDRM C=CCC[C@H](NC(=O)NCC1(Sc2ccccc2)CC1)C(=O)[O-] ZINC000520523187 459067965 /nfs/dbraw/zinc/06/79/65/459067965.db2.gz QHZQLOMUXRXJNQ-AWEZNQCLSA-N -1 0 334.441 3.030 20 30 EGEDRM C[C@H]1CCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)C[C@H]1C(=O)[O-] ZINC000577953281 459121910 /nfs/dbraw/zinc/12/19/10/459121910.db2.gz YSMWTJAZUYDQHT-SWLSCSKDSA-N -1 0 329.400 3.062 20 30 EGEDRM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1cccc(C#N)c1C ZINC000532880766 459153989 /nfs/dbraw/zinc/15/39/89/459153989.db2.gz WHHLWVFWVKQRDP-UHFFFAOYSA-N -1 0 332.429 3.062 20 30 EGEDRM C=C(C)Cn1c(Cc2ccc(F)cc2)n[n-]c1=Nc1c(C)n[nH]c1C ZINC000558628144 459183938 /nfs/dbraw/zinc/18/39/38/459183938.db2.gz YAEYOJNFJMVKCR-UHFFFAOYSA-N -1 0 340.406 3.090 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)N2CC[C@@H](C3CCCC3)C2)cc1C#N ZINC000521992575 459201634 /nfs/dbraw/zinc/20/16/34/459201634.db2.gz REOPUKUZZFBFAS-GFCCVEGCSA-N -1 0 331.441 3.033 20 30 EGEDRM C=CCOc1ccccc1CNC(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000523931750 459337854 /nfs/dbraw/zinc/33/78/54/459337854.db2.gz UCPMGISVTKODPD-UHFFFAOYSA-N -1 0 346.456 3.144 20 30 EGEDRM O=C([O-])C1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 ZINC000539572746 459377278 /nfs/dbraw/zinc/37/72/78/459377278.db2.gz BTEIHLWIAUBXBM-UHFFFAOYSA-N -1 0 333.387 3.023 20 30 EGEDRM CC(C)c1scnc1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000582628689 459397677 /nfs/dbraw/zinc/39/76/77/459397677.db2.gz SUFQOUZSZICRIC-UHFFFAOYSA-N -1 0 325.390 3.078 20 30 EGEDRM C=CCn1c(-c2sccc2C)n[n-]c1=Nc1c(C)nn(C)c1C ZINC000583171516 459493986 /nfs/dbraw/zinc/49/39/86/459493986.db2.gz SSNFSNQIAPPLAF-UHFFFAOYSA-N -1 0 328.445 3.017 20 30 EGEDRM C=CC[C@H](CC)NC(=O)N[C@H](C(=O)[O-])c1ccc(OC)c(Cl)c1 ZINC000583188500 459497658 /nfs/dbraw/zinc/49/76/58/459497658.db2.gz MTAYPZMAMQDEPF-FZMZJTMJSA-N -1 0 340.807 3.128 20 30 EGEDRM C[C@@H](CC#N)Sc1ccccc1NC(=O)NCC1(C(=O)[O-])CCC1 ZINC000596059116 459505424 /nfs/dbraw/zinc/50/54/24/459505424.db2.gz MTLAAKKBKPWHPV-LBPRGKRZSA-N -1 0 347.440 3.457 20 30 EGEDRM N#Cc1ccc2c(c1)CCC[C@H]2N=c1nc(C2CCOCC2)[n-]s1 ZINC000596278764 459581754 /nfs/dbraw/zinc/58/17/54/459581754.db2.gz RNCNNUONTYHDST-MRXNPFEDSA-N -1 0 340.452 3.215 20 30 EGEDRM C=CCOc1ccc(CN[C@@H](C)c2ncc(C(=O)[O-])s2)cc1OC ZINC000573564263 459698561 /nfs/dbraw/zinc/69/85/61/459698561.db2.gz DLHJJNANZWNHGX-NSHDSACASA-N -1 0 348.424 3.266 20 30 EGEDRM N#CC(=C([O-])c1cccc(C(N)=O)c1)c1nc2cc(F)ccc2s1 ZINC000592973608 459725834 /nfs/dbraw/zinc/72/58/34/459725834.db2.gz CGPYWGVZSLQBQP-GFCCVEGCSA-N -1 0 339.351 3.024 20 30 EGEDRM CC#CCCNC(=O)N=c1[n-]nc([C@@H](CC)c2ccccc2)s1 ZINC000544572419 459768544 /nfs/dbraw/zinc/76/85/44/459768544.db2.gz JQBYMZHTYCKIJA-AWEZNQCLSA-N -1 0 328.441 3.037 20 30 EGEDRM C=CCN=c1[n-]nc(Sc2ncnc3ccc(SC)cc32)s1 ZINC000563912017 459769359 /nfs/dbraw/zinc/76/93/59/459769359.db2.gz WAEQNCUKVYJTQF-UHFFFAOYSA-N -1 0 347.494 3.374 20 30 EGEDRM CC(=O)Nc1cc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)ccn1 ZINC000529007953 459820804 /nfs/dbraw/zinc/82/08/04/459820804.db2.gz HKURPIJKZVZXGE-LBPRGKRZSA-N -1 0 342.424 3.284 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2csc(-c3ccccc3)n2)o1 ZINC000588851730 459993284 /nfs/dbraw/zinc/99/32/84/459993284.db2.gz QDIYWIWSJOMXDG-UHFFFAOYSA-N -1 0 331.378 3.076 20 30 EGEDRM CC(C)[C@H](CNC(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1)C(=O)[O-] ZINC000593958423 460027774 /nfs/dbraw/zinc/02/77/74/460027774.db2.gz WHAHEVGEMCZORD-AWEZNQCLSA-N -1 0 347.415 3.214 20 30 EGEDRM CCSCc1ccnc([N-]S(=O)(=O)c2cccc(CC#N)c2)c1 ZINC000589587170 460106431 /nfs/dbraw/zinc/10/64/31/460106431.db2.gz DGKFDDZGAQBMOM-UHFFFAOYSA-N -1 0 347.465 3.202 20 30 EGEDRM C[C@H](NC(=O)C[C@@](C)(C(=O)[O-])c1ccccc1)c1cccc(C#N)c1 ZINC000610335038 460123021 /nfs/dbraw/zinc/12/30/21/460123021.db2.gz PMEWQYSBINWNSF-VBKZILBWSA-N -1 0 336.391 3.168 20 30 EGEDRM Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)[N-]c1ncc(C#N)s1 ZINC000610725628 460226826 /nfs/dbraw/zinc/22/68/26/460226826.db2.gz VXSUWKMYAICYGQ-UHFFFAOYSA-N -1 0 349.481 3.152 20 30 EGEDRM CCCCOc1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)cn1 ZINC000619463814 460363651 /nfs/dbraw/zinc/36/36/51/460363651.db2.gz JLVCDKROAYTDKR-UHFFFAOYSA-N -1 0 345.424 3.127 20 30 EGEDRM CC(C)Cc1n[n-]c(=NC(=O)NCc2ccc(C#N)c(Cl)c2)s1 ZINC000619786133 460444230 /nfs/dbraw/zinc/44/42/30/460444230.db2.gz JPPVKWINQHRCCH-UHFFFAOYSA-N -1 0 349.847 3.005 20 30 EGEDRM CC(C)CCn1cc(C([O-])=C(C#N)c2ccc3ccccc3n2)nn1 ZINC000607274330 460818887 /nfs/dbraw/zinc/81/88/87/460818887.db2.gz HGGKBRQCHPEUFP-HNNXBMFYSA-N -1 0 333.395 3.362 20 30 EGEDRM C=C(C)C[C@H](NC(=O)c1cc(C)cc(C)c1Br)C(=O)[O-] ZINC000630319887 461095130 /nfs/dbraw/zinc/09/51/30/461095130.db2.gz JYXMMLOEZJMEBE-LBPRGKRZSA-N -1 0 340.217 3.215 20 30 EGEDRM CSc1cc(C([O-])=C(C#N)c2nnc3n2CCCCC3)c(C)o1 ZINC000659054192 461164296 /nfs/dbraw/zinc/16/42/96/461164296.db2.gz WUWNWKWDSLOBEO-LBPRGKRZSA-N -1 0 330.413 3.118 20 30 EGEDRM C=CCc1cc(C(=O)N(CC(=O)[O-])CC(C)(C)C)cc(OC)c1OC ZINC000659785667 461410295 /nfs/dbraw/zinc/41/02/95/461410295.db2.gz ZBTVHNZVCIGPDT-UHFFFAOYSA-N -1 0 349.427 3.005 20 30 EGEDRM C=CCN(C(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1)c1ccccc1 ZINC000647741701 461823837 /nfs/dbraw/zinc/82/38/37/461823837.db2.gz DGVTUVVTSUOZNG-UHFFFAOYSA-N -1 0 333.391 3.307 20 30 EGEDRM C=CCCO[C@H](C)C(=O)N[C@@H](CC(=O)[O-])c1ccc2ccccc2c1 ZINC000263148913 534782753 /nfs/dbraw/zinc/78/27/53/534782753.db2.gz USIGVQBGAODVCF-KDOFPFPSSA-N -1 0 341.407 3.453 20 30 EGEDRM CCn1nccc1C([O-])=C(C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000124722530 546746695 /nfs/dbraw/zinc/74/66/95/546746695.db2.gz LMTHXOXPKUAAOP-AWEZNQCLSA-N -1 0 347.403 3.388 20 30 EGEDRM CSc1cc(C([O-])=C(C#N)c2nnc3n2CCCCC3)ccc1F ZINC000155608041 546904730 /nfs/dbraw/zinc/90/47/30/546904730.db2.gz XNHHFUMMFXALGO-LBPRGKRZSA-N -1 0 344.415 3.356 20 30 EGEDRM CCn1cc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)cn1 ZINC000172086723 546997568 /nfs/dbraw/zinc/99/75/68/546997568.db2.gz FGVNVIXOWSOMKE-NSHDSACASA-N -1 0 329.310 3.138 20 30 EGEDRM Cc1ccc(C)c2c1NC(=O)C2=N[N-]c1nc(-c2ccccc2)no1 ZINC000726738226 574568347 /nfs/dbraw/zinc/56/83/47/574568347.db2.gz NBEHDWZTUDDHSA-UHFFFAOYSA-N -1 0 333.351 3.122 20 30 EGEDRM CN(C)c1ccc(/C=C/C(=O)c2ccc(CC(=O)[O-])cc2)cc1F ZINC000727654039 574681721 /nfs/dbraw/zinc/68/17/21/574681721.db2.gz GDXGVININOWLDU-UXBLZVDNSA-N -1 0 327.355 3.415 20 30 EGEDRM COc1cccc(O)c1C=Nc1ccc(OCCCC(=O)[O-])cc1 ZINC000738105864 574770989 /nfs/dbraw/zinc/77/09/89/574770989.db2.gz FHUSJNZDIMHYHD-UHFFFAOYSA-N -1 0 329.352 3.395 20 30 EGEDRM N#Cc1ccc(CN(c2cccc(F)c2-c2nn[nH]n2)C2CC2)cc1 ZINC000737711927 574807964 /nfs/dbraw/zinc/80/79/64/574807964.db2.gz NCDCERLYWMFMAN-UHFFFAOYSA-N -1 0 334.358 3.046 20 30 EGEDRM C[C@H](Oc1cccc(C=NNCCCc2ccccc2)c1)C(=O)[O-] ZINC000729146090 574818393 /nfs/dbraw/zinc/81/83/93/574818393.db2.gz KVHNCFDGKVVTBQ-HNNXBMFYSA-N -1 0 326.396 3.095 20 30 EGEDRM COCCOc1cccc(/C=C\C(=O)c2csc(C(=O)[O-])c2)c1 ZINC000730149847 574925593 /nfs/dbraw/zinc/92/55/93/574925593.db2.gz ZQMAPMFMVYXWMU-WAYWQWQTSA-N -1 0 332.377 3.368 20 30 EGEDRM Cc1cc(=O)[n-]c(N=NC2CCc3cc(Br)ccc3C2)n1 ZINC000730430942 574985460 /nfs/dbraw/zinc/98/54/60/574985460.db2.gz VALSYEIMNKULMM-UHFFFAOYSA-N -1 0 347.216 3.210 20 30 EGEDRM Cc1ccc(O[C@H](C)C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000738640268 575005595 /nfs/dbraw/zinc/00/55/95/575005595.db2.gz XMMZNLHNPOMPCE-CXAGYDPISA-N -1 0 339.347 3.003 20 30 EGEDRM O=c1[nH]ncc(NN=Cc2cc(Cl)cc(Cl)c2[O-])c1Cl ZINC000730568138 575001890 /nfs/dbraw/zinc/00/18/90/575001890.db2.gz NIPMLUYEDXFVEB-UHFFFAOYSA-N -1 0 333.562 3.294 20 30 EGEDRM O=C([O-])C(F)(F)Oc1ccc(/C=C2\Oc3cc(O)ccc3C2=O)cc1 ZINC000730729627 575013388 /nfs/dbraw/zinc/01/33/88/575013388.db2.gz KLSNFUWBCYAJPZ-AUWJEWJLSA-N -1 0 348.257 3.065 20 30 EGEDRM CC(CCc1ccccc1[N+](=O)[O-])N=Nc1cn[nH]c(=O)c1Cl ZINC000741462583 575072633 /nfs/dbraw/zinc/07/26/33/575072633.db2.gz QUNARKNBGDCWBL-UHFFFAOYSA-N -1 0 335.751 3.164 20 30 EGEDRM COc1ccc(C(=O)/C=C/c2cccc(OCC(=O)[O-])c2)cc1OC ZINC000733205454 575319909 /nfs/dbraw/zinc/31/99/09/575319909.db2.gz WKAZWCYZIAZVQC-SOFGYWHQSA-N -1 0 342.347 3.063 20 30 EGEDRM C=CCN(C(=O)CCCNC(=O)[O-])c1nc(-c2ccccc2)cs1 ZINC000736108247 575896900 /nfs/dbraw/zinc/89/69/00/575896900.db2.gz PRPMYTRBFFHDJN-UHFFFAOYSA-N -1 0 345.424 3.377 20 30 EGEDRM C=CCNC(=O)Nc1ccc(N[C@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000736106226 575896912 /nfs/dbraw/zinc/89/69/12/575896912.db2.gz URIHYIXLXVFNIE-INIZCTEOSA-N -1 0 343.358 3.371 20 30 EGEDRM C=CCN(CC1CCCCC1)C(=O)Nc1nc(CC(=O)[O-])cs1 ZINC000736107911 575897053 /nfs/dbraw/zinc/89/70/53/575897053.db2.gz AFJCUQMQOJZMAK-UHFFFAOYSA-N -1 0 337.445 3.370 20 30 EGEDRM C=CCOc1ccc(C(=O)N[C@H](C(=O)[O-])c2cc(F)ccc2F)cc1 ZINC000736109236 575898808 /nfs/dbraw/zinc/89/88/08/575898808.db2.gz CJYRKNXMDNSWCN-INIZCTEOSA-N -1 0 347.317 3.085 20 30 EGEDRM C=CCn1c(SC/C=C(/C)C(=O)[O-])nnc1-c1ccccc1OC ZINC000736116927 575900994 /nfs/dbraw/zinc/90/09/94/575900994.db2.gz FSRVVPGAPXEWKO-XFXZXTDPSA-N -1 0 345.424 3.263 20 30 EGEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(C(=O)[O-])nc1 ZINC000736544715 575982076 /nfs/dbraw/zinc/98/20/76/575982076.db2.gz KADLVYGQJHDCBR-LLVKDONJSA-N -1 0 341.392 3.426 20 30 EGEDRM C[C@H](CC(=O)[O-])S[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000736552458 575983197 /nfs/dbraw/zinc/98/31/97/575983197.db2.gz NJIXWKRSLLGKTL-VXGBXAGGSA-N -1 0 338.404 3.057 20 30 EGEDRM C[C@H](NC(=O)Nc1ccc(CCC(=O)[O-])cc1)c1ccc(C#N)cc1 ZINC000736649942 575996503 /nfs/dbraw/zinc/99/65/03/575996503.db2.gz XSHKUOZEKSRTOA-ZDUSSCGKSA-N -1 0 337.379 3.458 20 30 EGEDRM C[C@H](NC(=O)N1Cc2ccc(C(=O)[O-])cc2C1)c1ccc(C#N)cc1 ZINC000736644560 575997743 /nfs/dbraw/zinc/99/77/43/575997743.db2.gz BPVZWJPKMBTBGV-LBPRGKRZSA-N -1 0 335.363 3.043 20 30 EGEDRM C[C@@H](OC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)C(=O)[O-] ZINC000736687595 576005906 /nfs/dbraw/zinc/00/59/06/576005906.db2.gz CXRBHVAFHKWFCX-SNVBAGLBSA-N -1 0 329.283 3.120 20 30 EGEDRM Cc1[nH]c(C(=O)CSc2ccc(C#N)cc2F)c(C)c1C(=O)[O-] ZINC000738154268 576294121 /nfs/dbraw/zinc/29/41/21/576294121.db2.gz HOSQHLHOTARIJH-UHFFFAOYSA-N -1 0 332.356 3.316 20 30 EGEDRM Cc1cc(NC(=O)c2cc3ccccc3n2CC#N)sc1C(=O)[O-] ZINC000738242296 576304489 /nfs/dbraw/zinc/30/44/89/576304489.db2.gz SEEZTYZNWXKHHT-UHFFFAOYSA-N -1 0 339.376 3.485 20 30 EGEDRM Cc1c(NC(=O)CSc2ccc(C#N)cc2)cccc1C(=O)[O-] ZINC000738298381 576311965 /nfs/dbraw/zinc/31/19/65/576311965.db2.gz BVNIQHZVBAGAJQ-UHFFFAOYSA-N -1 0 326.377 3.296 20 30 EGEDRM Cc1cc(COC(=O)c2cc3ccccc3n2CC#N)oc1C(=O)[O-] ZINC000738392429 576320822 /nfs/dbraw/zinc/32/08/22/576320822.db2.gz MNEDMBRSEOXTDP-UHFFFAOYSA-N -1 0 338.319 3.122 20 30 EGEDRM O=C([O-])C1CCC(N=Nc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000738530759 576335029 /nfs/dbraw/zinc/33/50/29/576335029.db2.gz ICUVOWIUAUWVJF-UHFFFAOYSA-N -1 0 334.763 3.433 20 30 EGEDRM Cc1ccc(F)cc1NC(=O)C=NOCc1ccc(F)cc1C(=O)[O-] ZINC000738606563 576341205 /nfs/dbraw/zinc/34/12/05/576341205.db2.gz GWZUNGOZMXLGJT-UHFFFAOYSA-N -1 0 348.305 3.113 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2c(C)cccc2C)n1 ZINC000738705943 576353208 /nfs/dbraw/zinc/35/32/08/576353208.db2.gz LSXHJGGTWITSKG-CYBMUJFWSA-N -1 0 328.393 3.102 20 30 EGEDRM Cc1cccc(N(CCC#N)C(=O)CSC[C@@H](C)C(=O)[O-])c1C ZINC000738724815 576355635 /nfs/dbraw/zinc/35/56/35/576355635.db2.gz LUOQCJIWZLHPSV-CYBMUJFWSA-N -1 0 334.441 3.004 20 30 EGEDRM Cc1nnc(NCc2c3ccccc3sc2C(=O)[O-])c(C#N)c1C ZINC000738931560 576369603 /nfs/dbraw/zinc/36/96/03/576369603.db2.gz JSKCLGGFPBSXPX-UHFFFAOYSA-N -1 0 338.392 3.490 20 30 EGEDRM Cc1nnc(Nc2cccc(CSCCC(=O)[O-])c2)c(C#N)c1C ZINC000738932012 576369627 /nfs/dbraw/zinc/36/96/27/576369627.db2.gz OGRPMZCAXAREAO-UHFFFAOYSA-N -1 0 342.424 3.417 20 30 EGEDRM Cc1occc1-c1nnc(S[C@@H](C(=O)[O-])c2ccc(C#N)cc2)o1 ZINC000738974337 576371703 /nfs/dbraw/zinc/37/17/03/576371703.db2.gz FOBPCOMFDKYMLZ-CYBMUJFWSA-N -1 0 341.348 3.428 20 30 EGEDRM Cc1occc1-c1nnc(S[C@H](C(=O)[O-])c2ccc(C#N)cc2)o1 ZINC000738974338 576371718 /nfs/dbraw/zinc/37/17/18/576371718.db2.gz FOBPCOMFDKYMLZ-ZDUSSCGKSA-N -1 0 341.348 3.428 20 30 EGEDRM Cn1c2ccccc2nc1[C@@H](C#N)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000739013319 576374012 /nfs/dbraw/zinc/37/40/12/576374012.db2.gz ZGMQUYZEQHQXAC-HNNXBMFYSA-N -1 0 347.374 3.081 20 30 EGEDRM Cn1cc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c2ccccc21 ZINC000739028449 576375043 /nfs/dbraw/zinc/37/50/43/576375043.db2.gz WMVYEEUMDQZJLM-QGZVFWFLSA-N -1 0 334.331 3.033 20 30 EGEDRM N#CCN(CC(=O)[O-])C(=O)CSc1cccc2cccc(Cl)c21 ZINC000739079198 576377033 /nfs/dbraw/zinc/37/70/33/576377033.db2.gz UNOQKPHGBKFISH-UHFFFAOYSA-N -1 0 348.811 3.022 20 30 EGEDRM N#CCN(CC(=O)[O-])C(=O)c1cc2sc3ccccc3c2s1 ZINC000739088177 576377310 /nfs/dbraw/zinc/37/73/10/576377310.db2.gz RXOSDVABNZKSIH-UHFFFAOYSA-N -1 0 330.390 3.166 20 30 EGEDRM N#CCOc1ccccc1C(=O)O[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000739091128 576377469 /nfs/dbraw/zinc/37/74/69/576377469.db2.gz GALWGNXGYBQKGV-HNNXBMFYSA-N -1 0 345.738 3.225 20 30 EGEDRM N#Cc1ccc(C(F)(F)F)nc1Nc1ccc(CNC(=O)[O-])cc1 ZINC000739108639 576378350 /nfs/dbraw/zinc/37/83/50/576378350.db2.gz VXJAEEOZUOTTBR-UHFFFAOYSA-N -1 0 336.273 3.483 20 30 EGEDRM N#Cc1ccc([C@@H](OC(=O)CCn2ccc3ccccc32)C(=O)[O-])cc1 ZINC000739107323 576378376 /nfs/dbraw/zinc/37/83/76/576378376.db2.gz ALRSTKISPTZFIW-LJQANCHMSA-N -1 0 348.358 3.272 20 30 EGEDRM N#Cc1ccc([C@H](NCc2cc3c(s2)CCCC3)C(=O)[O-])cc1 ZINC000739108902 576378388 /nfs/dbraw/zinc/37/83/88/576378388.db2.gz YAPGWOFLVJORAJ-KRWDZBQOSA-N -1 0 326.421 3.414 20 30 EGEDRM N#Cc1ccc([C@H](Sc2nnc(C3CC3)n2C2CC2)C(=O)[O-])cc1 ZINC000739116672 576378773 /nfs/dbraw/zinc/37/87/73/576378773.db2.gz BWIUJSRZYSINMF-AWEZNQCLSA-N -1 0 340.408 3.280 20 30 EGEDRM N#Cc1ccc(F)c(CN(CC(=O)[O-])Cc2cc(Cl)ccc2O)c1 ZINC000739118159 576378999 /nfs/dbraw/zinc/37/89/99/576378999.db2.gz NUCDXUNFUQTQKO-UHFFFAOYSA-N -1 0 348.761 3.143 20 30 EGEDRM N#Cc1ccc(NC(=S)N2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1Cl ZINC000739120886 576379066 /nfs/dbraw/zinc/37/90/66/576379066.db2.gz FYYWRQWGIQJOAA-GFCCVEGCSA-N -1 0 349.843 3.095 20 30 EGEDRM N#Cc1ccc(SCc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)cc1 ZINC000739132823 576379334 /nfs/dbraw/zinc/37/93/34/576379334.db2.gz URQPTZFGEPVMAT-UHFFFAOYSA-N -1 0 337.360 3.198 20 30 EGEDRM Cc1ccc([N+](=O)[O-])cc1C(=O)/C=C\c1ccc([O-])c([N+](=O)[O-])c1 ZINC000739425343 576410554 /nfs/dbraw/zinc/41/05/54/576410554.db2.gz OLYYSKIKNAYPRA-UTCJRWHESA-N -1 0 328.280 3.413 20 30 EGEDRM CC(C)(CC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)C(=O)[O-] ZINC000740000367 576530131 /nfs/dbraw/zinc/53/01/31/576530131.db2.gz BAZIMWLCMQEBTN-UHFFFAOYSA-N -1 0 342.420 3.404 20 30 EGEDRM C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1ccccc1Cl ZINC000741657818 576708978 /nfs/dbraw/zinc/70/89/78/576708978.db2.gz YLRWIHZSANFNNY-UHFFFAOYSA-N -1 0 339.775 3.292 20 30 EGEDRM C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000741658371 576709045 /nfs/dbraw/zinc/70/90/45/576709045.db2.gz VZHDGDCPRZWSBZ-UHFFFAOYSA-N -1 0 345.804 3.353 20 30 EGEDRM C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000741657337 576709057 /nfs/dbraw/zinc/70/90/57/576709057.db2.gz NMHGFZALRBURFB-UHFFFAOYSA-N -1 0 345.395 3.127 20 30 EGEDRM CCO[C@@H](C)c1ncc(C([O-])=C(C#N)C(=O)Nc2ccccc2)s1 ZINC000744029772 576819225 /nfs/dbraw/zinc/81/92/25/576819225.db2.gz VINBGATYXWSXKI-WCQYABFASA-N -1 0 343.408 3.202 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@@H](C)c2cccc(F)c2)n1 ZINC000745367402 576846527 /nfs/dbraw/zinc/84/65/27/576846527.db2.gz BYFAUMQPPQTPKV-SMDDNHRTSA-N -1 0 346.383 3.114 20 30 EGEDRM CN(CCC(=O)[O-])C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000818435571 596985303 /nfs/dbraw/zinc/98/53/03/596985303.db2.gz LBFPPPFEXXJQTB-UHFFFAOYSA-N -1 0 339.351 3.289 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000819856181 598221344 /nfs/dbraw/zinc/22/13/44/598221344.db2.gz HLJFNDFAMSLOTJ-LJQANCHMSA-N -1 0 338.363 3.209 20 30 EGEDRM C[C@@H](CNC(=O)[C@@](C)(C#N)CC(=O)[O-])c1c(Cl)cccc1Cl ZINC000820101568 598226316 /nfs/dbraw/zinc/22/63/16/598226316.db2.gz ABGKNWPVQPSIEF-BJOHPYRUSA-N -1 0 343.210 3.218 20 30 EGEDRM N#Cc1ccc([C@@H](OC(=O)c2ccc(C(F)F)cc2)C(=O)[O-])cc1 ZINC000739115291 600616031 /nfs/dbraw/zinc/61/60/31/600616031.db2.gz PQHOZPTXZOLHOK-CQSZACIVSA-N -1 0 331.274 3.479 20 30 EGEDRM N#Cc1ccc([C@@H](NCc2coc(-c3ccccc3)n2)C(=O)[O-])cc1 ZINC000833072781 600754297 /nfs/dbraw/zinc/75/42/97/600754297.db2.gz QCQZWDPKHVPGRP-QGZVFWFLSA-N -1 0 333.347 3.129 20 30 EGEDRM Cc1ccc(N2C(=O)N[C@@H](c3ccc(C#N)o3)C(C(=O)[O-])=C2C)cc1 ZINC000828133867 600781650 /nfs/dbraw/zinc/78/16/50/600781650.db2.gz AUDYAGDICJQHGK-INIZCTEOSA-N -1 0 337.335 3.089 20 30 EGEDRM N#Cc1cccc(C(=O)N[C@H](CC(=O)[O-])c2cccc(Cl)c2)c1 ZINC000833073998 600801061 /nfs/dbraw/zinc/80/10/61/600801061.db2.gz LWAWXVXYXVOZDV-OAHLLOKOSA-N -1 0 328.755 3.157 20 30 EGEDRM C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000180118794 600913703 /nfs/dbraw/zinc/91/37/03/600913703.db2.gz JDCIISJSRLSMAC-LSDHHAIUSA-N -1 0 346.383 3.000 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)CCC(F)(F)F ZINC000825702592 600967057 /nfs/dbraw/zinc/96/70/57/600967057.db2.gz QUZUAQQGMGZRSH-UHFFFAOYSA-N -1 0 332.274 3.370 20 30 EGEDRM C[C@@H](NC(=O)Nc1cc(C(=O)[O-])ccc1F)c1cccc(C#N)c1 ZINC000827665247 601011626 /nfs/dbraw/zinc/01/16/26/601011626.db2.gz PPBOCYHPCSZXCP-SNVBAGLBSA-N -1 0 327.315 3.278 20 30 EGEDRM C=CCOc1ccccc1C(=O)O[C@@H](C(=O)[O-])c1ccccc1F ZINC000825702329 601099113 /nfs/dbraw/zinc/09/91/13/601099113.db2.gz KHFUOUXJRMFFMI-MRXNPFEDSA-N -1 0 330.311 3.373 20 30 EGEDRM O=C([O-])C1CCN(C(=O)Nc2ccccc2C#Cc2ccccc2)CC1 ZINC000833191648 601147501 /nfs/dbraw/zinc/14/75/01/601147501.db2.gz JRVKNOUIEADMQH-UHFFFAOYSA-N -1 0 348.402 3.415 20 30 EGEDRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)C#Cc2ccccc2)cc1 ZINC000832777544 601199477 /nfs/dbraw/zinc/19/94/77/601199477.db2.gz RKWCXSBBNKOCHL-KRWDZBQOSA-N -1 0 339.416 3.092 20 30 EGEDRM Cn1cc(C#N)cc1C(=O)Nc1sc(C(C)(C)C)cc1C(=O)[O-] ZINC000833040454 601267269 /nfs/dbraw/zinc/26/72/69/601267269.db2.gz IKJVIRYLLDNOOV-UHFFFAOYSA-N -1 0 331.397 3.206 20 30 EGEDRM CN(Cc1ccc(Br)o1)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830811192 601311363 /nfs/dbraw/zinc/31/13/63/601311363.db2.gz ROODUGDLICTRAJ-CQSZACIVSA-N -1 0 349.184 3.171 20 30 EGEDRM O=C([O-])c1ccc(/C=C2/COc3c(Br)cccc3C2=O)[nH]1 ZINC000833311954 601331913 /nfs/dbraw/zinc/33/19/13/601331913.db2.gz FSMPXMIPNNMPOM-VURMDHGXSA-N -1 0 348.152 3.134 20 30 EGEDRM N#Cc1cccc([C@H](OC(=O)c2ccc3ccccc3n2)C(=O)[O-])c1 ZINC000833077496 601344706 /nfs/dbraw/zinc/34/47/06/601344706.db2.gz USEMEUZVSACAJF-KRWDZBQOSA-N -1 0 332.315 3.089 20 30 EGEDRM Cc1cccc(O[C@H](C)C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000832972489 601347015 /nfs/dbraw/zinc/34/70/15/601347015.db2.gz CHMILMMNIPJEIM-DYVFJYSZSA-N -1 0 339.347 3.003 20 30 EGEDRM CCSc1cc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)ccn1 ZINC000830168717 601350099 /nfs/dbraw/zinc/35/00/99/601350099.db2.gz GOAXCVSDNPQPQX-HNNXBMFYSA-N -1 0 342.376 3.048 20 30 EGEDRM COc1ccc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c(Cl)c1 ZINC000832213507 601352751 /nfs/dbraw/zinc/35/27/51/601352751.db2.gz PQOGRCZAIRORKV-HNNXBMFYSA-N -1 0 345.738 3.203 20 30 EGEDRM Cc1cc(F)cc2c1ncc(C#N)c2NCc1cccc(C(=O)[O-])c1 ZINC000832889740 601932533 /nfs/dbraw/zinc/93/25/33/601932533.db2.gz NQBUQUVCWPBCJJ-UHFFFAOYSA-N -1 0 335.338 3.286 20 30 EGEDRM C[C@@H](Oc1ccc(/C=C\C(=O)c2ccc([N+](=O)[O-])cc2)cc1)C(=O)[O-] ZINC000794692786 602105581 /nfs/dbraw/zinc/10/55/81/602105581.db2.gz WQAJJBVVHGQGGU-CSXHZRMWSA-N -1 0 341.319 3.343 20 30 EGEDRM Cc1ccc(C(=O)[O-])cc1NC(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000832918387 602158012 /nfs/dbraw/zinc/15/80/12/602158012.db2.gz VMSZTINEAWGPPM-UHFFFAOYSA-N -1 0 338.363 3.361 20 30 EGEDRM C[C@@H](Oc1ccc(C=NNCc2ccc(Cl)cc2)cc1)C(=O)[O-] ZINC000794917933 602180074 /nfs/dbraw/zinc/18/00/74/602180074.db2.gz MQIIAVQYFTUNNL-GFCCVEGCSA-N -1 0 332.787 3.316 20 30 EGEDRM C[C@H](CN(Cc1ccccc1)c1ccc(C#N)cc1[N+](=O)[O-])C(=O)[O-] ZINC000827455650 602237322 /nfs/dbraw/zinc/23/73/22/602237322.db2.gz OIURIGORMJLDHD-CYBMUJFWSA-N -1 0 339.351 3.194 20 30 EGEDRM C=CCn1c(S[C@@H](CC)C(=O)[O-])nnc1-c1cccc(OC)c1 ZINC000825710855 602242707 /nfs/dbraw/zinc/24/27/07/602242707.db2.gz DSXMHRLYWFOMTM-ZDUSSCGKSA-N -1 0 333.413 3.095 20 30 EGEDRM C[C@@H](Oc1ccc(C=CC(=O)c2c[nH]c3ncccc23)cc1)C(=O)[O-] ZINC000794704153 602299685 /nfs/dbraw/zinc/29/96/85/602299685.db2.gz XMUDSUUTFVALGP-UVMWJGKXSA-N -1 0 336.347 3.311 20 30 EGEDRM C#CCOc1ccccc1CNc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000825632358 602317533 /nfs/dbraw/zinc/31/75/33/602317533.db2.gz YECXOYFNPPITEG-UHFFFAOYSA-N -1 0 340.335 3.226 20 30 EGEDRM C#C[C@H](OC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1)C1CC1 ZINC000833361062 604476352 /nfs/dbraw/zinc/47/63/52/604476352.db2.gz VZGYDSIIWFEOAQ-LBPRGKRZSA-N -1 0 327.258 3.364 20 30 EGEDRM C=C(C)[C@H](CC(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1)OCC ZINC000833367847 604561567 /nfs/dbraw/zinc/56/15/67/604561567.db2.gz WUUMZUVYGGKNRG-CABCVRRESA-N -1 0 339.819 3.343 20 30 EGEDRM C=C(C)[C@H](CC(=O)O[C@H](C(=O)[O-])c1cccc(Cl)c1)OCC ZINC000833368794 604597531 /nfs/dbraw/zinc/59/75/31/604597531.db2.gz VFGBTXGADQCBCE-ZFWWWQNUSA-N -1 0 326.776 3.380 20 30 EGEDRM C=C(C)[C@@H](CC(=O)O[C@@H](C(=O)[O-])c1cccc(Cl)c1)OCC ZINC000833368793 604597805 /nfs/dbraw/zinc/59/78/05/604597805.db2.gz VFGBTXGADQCBCE-UKRRQHHQSA-N -1 0 326.776 3.380 20 30 EGEDRM O=C([O-])c1ccc(C(=O)/C=C\c2ccc(N3CCOCC3)cc2)cc1 ZINC000833309652 604628054 /nfs/dbraw/zinc/62/80/54/604628054.db2.gz DOCNDZPFJQVECZ-KMKOMSMNSA-N -1 0 337.375 3.118 20 30 EGEDRM C=CCOc1ccccc1CN=Nc1ccc(C(=O)[O-])cc1OC ZINC000756906070 604631063 /nfs/dbraw/zinc/63/10/63/604631063.db2.gz SGUQWDCTHCLLBB-UHFFFAOYSA-N -1 0 326.352 3.404 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)c2ccc(F)c(Cl)c2)C(=O)[O-])cc1 ZINC000833070889 604694049 /nfs/dbraw/zinc/69/40/49/604694049.db2.gz BHGRYJMPJAUODN-AWEZNQCLSA-N -1 0 333.702 3.333 20 30 EGEDRM COc1cc(/C=C/C(=O)[O-])ccc1OCC#Cc1ccc(F)cc1 ZINC000831975395 604800415 /nfs/dbraw/zinc/80/04/15/604800415.db2.gz FDNKVNMQCJYKGY-YRNVUSSQSA-N -1 0 326.323 3.363 20 30 EGEDRM C#Cc1cccc(NC(=S)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)c1 ZINC000833367655 604856391 /nfs/dbraw/zinc/85/63/91/604856391.db2.gz QDEDDDHSQRRZQE-AWEZNQCLSA-N -1 0 330.453 3.188 20 30 EGEDRM C=CCC(CC=C)C(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000181914307 604871792 /nfs/dbraw/zinc/87/17/92/604871792.db2.gz HVQQGSGXIPLEID-CQSZACIVSA-N -1 0 325.767 3.489 20 30 EGEDRM O=C([O-])c1ccc(OCC#Cc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000833782742 604874080 /nfs/dbraw/zinc/87/40/80/604874080.db2.gz QSNFGTNOAFZDAH-UHFFFAOYSA-N -1 0 331.711 3.377 20 30 EGEDRM N#Cc1ccccc1/C=C\C(=O)N(CCCC(=O)[O-])Cc1ccccc1 ZINC000833075895 604936019 /nfs/dbraw/zinc/93/60/19/604936019.db2.gz YOLLMPYQLDGYKL-SEYXRHQNSA-N -1 0 348.402 3.465 20 30 EGEDRM C=CCn1c(S[C@H](C(=O)[O-])C2CC2)nnc1-c1ccccc1OC ZINC000833380931 605070504 /nfs/dbraw/zinc/07/05/04/605070504.db2.gz TVXPRECOTIHBNU-AWEZNQCLSA-N -1 0 345.424 3.095 20 30 EGEDRM C=CCn1c(S[C@H](C(=O)[O-])C2CC2)nnc1-c1ccc(F)cc1 ZINC000833381005 605070549 /nfs/dbraw/zinc/07/05/49/605070549.db2.gz XLWBEDLTCVBJLD-ZDUSSCGKSA-N -1 0 333.388 3.226 20 30 EGEDRM C=CCOc1cccnc1C(=O)O[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000833378255 605077336 /nfs/dbraw/zinc/07/73/36/605077336.db2.gz BZFQFYCUGVRRKW-HNNXBMFYSA-N -1 0 347.754 3.283 20 30 EGEDRM CN(C(=O)OC(C)(C)C)C(C)(C)CN=Nc1ccccc1C(=O)[O-] ZINC000770596840 605095488 /nfs/dbraw/zinc/09/54/88/605095488.db2.gz PTFRBTAXWGQZRM-UHFFFAOYSA-N -1 0 335.404 3.428 20 30 EGEDRM C[C@H](Sc1ccccc1C(=O)N1CCC(CC#N)CC1)C(=O)[O-] ZINC000833545091 605135306 /nfs/dbraw/zinc/13/53/06/605135306.db2.gz DIYFVAVXFAEFSK-LBPRGKRZSA-N -1 0 332.425 3.018 20 30 EGEDRM C=CCCCC(=O)N(C)[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC000833373381 605177060 /nfs/dbraw/zinc/17/70/60/605177060.db2.gz MYJNQJBVUZTHPN-CQSZACIVSA-N -1 0 340.217 3.390 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1csnc1C ZINC000833380125 605293173 /nfs/dbraw/zinc/29/31/73/605293173.db2.gz UYZNCTKSINBWTG-UHFFFAOYSA-N -1 0 333.365 3.106 20 30 EGEDRM C[C@H](C#N)Oc1ccccc1NCc1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC000833402640 605730404 /nfs/dbraw/zinc/73/04/04/605730404.db2.gz RPBZZSZLOXSLSH-ZIAGYGMSSA-N -1 0 340.379 3.441 20 30 EGEDRM N#CCCN(Cc1cccnc1)Cc1cc(C(=O)[O-])ccc1Cl ZINC000833759953 605839868 /nfs/dbraw/zinc/83/98/68/605839868.db2.gz BEAYEWHNVRPVPA-UHFFFAOYSA-N -1 0 329.787 3.349 20 30 EGEDRM N#Cc1cccc(S(=O)(=O)[N-]c2nc(-c3ccccc3)cs2)c1 ZINC000007052450 1291057744 /nfs/dbraw/zinc/05/77/44/1291057744.db2.gz IDCCHKGIESYKSN-UHFFFAOYSA-N -1 0 341.417 3.483 20 30 EGEDRM COc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OCC(=O)[O-] ZINC000007717916 1291086990 /nfs/dbraw/zinc/08/69/90/1291086990.db2.gz KIGBMJNSWMTGTA-WEVVVXLNSA-N -1 0 326.348 3.363 20 30 EGEDRM COc1ccccc1CCC(=O)[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000042235403 1291437424 /nfs/dbraw/zinc/43/74/24/1291437424.db2.gz UQSYDJVXJFQOLJ-UHFFFAOYSA-N -1 0 333.409 3.282 20 30 EGEDRM O=C([N-]S(=O)(=O)c1cccs1)c1cccc(C(F)(F)F)c1 ZINC000042243710 1291437471 /nfs/dbraw/zinc/43/74/71/1291437471.db2.gz WCZYAOKOVIXAFB-UHFFFAOYSA-N -1 0 335.328 3.460 20 30 EGEDRM CC(C)=C[C@H]1[C@H](C(=O)[N-]S(=O)(=O)c2c(C)noc2C)C1(C)C ZINC000042290808 1291439595 /nfs/dbraw/zinc/43/95/95/1291439595.db2.gz MPQJPUCUIDHPTG-NWDGAFQWSA-N -1 0 326.418 3.175 20 30 EGEDRM C[C@@H](Oc1ccccc1)C(=O)[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC000045100193 1291505357 /nfs/dbraw/zinc/50/53/57/1291505357.db2.gz UVTKODQTBJEESE-GFCCVEGCSA-N -1 0 337.372 3.080 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)Oc2ccccc2)cc1C ZINC000046929811 1291557735 /nfs/dbraw/zinc/55/77/35/1291557735.db2.gz DCFBMKCXJTVIAP-AWEZNQCLSA-N -1 0 333.409 3.416 20 30 EGEDRM Cc1ccc(O[C@@H](C)C(=O)[N-]S(=O)(=O)c2cccs2)cc1 ZINC000048427512 1291604916 /nfs/dbraw/zinc/60/49/16/1291604916.db2.gz BNGJDVUCWDJKMX-NSHDSACASA-N -1 0 325.411 3.169 20 30 EGEDRM CS[C@H](C)C(=O)[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000048514955 1291607743 /nfs/dbraw/zinc/60/77/43/1291607743.db2.gz BYUFCMBYNHMEFB-SSDOTTSWSA-N -1 0 327.349 3.102 20 30 EGEDRM COc1ccccc1C(=O)[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000048494294 1291608013 /nfs/dbraw/zinc/60/80/13/1291608013.db2.gz BJYZBWYCDHSMPE-UHFFFAOYSA-N -1 0 325.773 3.042 20 30 EGEDRM CS[C@H](C)C(=O)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000048519087 1291608683 /nfs/dbraw/zinc/60/86/83/1291608683.db2.gz WXXFSOBGRJEMRF-SSDOTTSWSA-N -1 0 327.349 3.102 20 30 EGEDRM O=C([N-]S(=O)(=O)c1ccccc1Br)c1ccccc1 ZINC000048519558 1291608939 /nfs/dbraw/zinc/60/89/39/1291608939.db2.gz YKPVJAIDJYEUDL-UHFFFAOYSA-N -1 0 340.198 3.143 20 30 EGEDRM CCCCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000049178072 1291624740 /nfs/dbraw/zinc/62/47/40/1291624740.db2.gz PLZSMVOBJAIKED-QMMMGPOBSA-N -1 0 325.839 3.252 20 30 EGEDRM CCCCS(=O)(=O)[N-]C(=O)Cc1csc(-c2ccc(C)o2)n1 ZINC000048555855 1291611433 /nfs/dbraw/zinc/61/14/33/1291611433.db2.gz KWWBIQGPYAPASL-UHFFFAOYSA-N -1 0 342.442 3.340 20 30 EGEDRM CC(C)S(=O)(=O)[N-]C(=O)[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000049417732 1291628333 /nfs/dbraw/zinc/62/83/33/1291628333.db2.gz OIXATEPHAVMGJN-QMMMGPOBSA-N -1 0 340.228 3.455 20 30 EGEDRM CC(C)S(=O)(=O)[N-]C(=O)[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000049417731 1291628911 /nfs/dbraw/zinc/62/89/11/1291628911.db2.gz OIXATEPHAVMGJN-MRVPVSSYSA-N -1 0 340.228 3.455 20 30 EGEDRM O=C(CCc1ccc(Cl)s1)[N-]S(=O)(=O)N1CCCCC1 ZINC000052793928 1291712400 /nfs/dbraw/zinc/71/24/00/1291712400.db2.gz WLXBTISBZAMLSX-UHFFFAOYSA-N -1 0 336.866 3.021 20 30 EGEDRM Cc1cccc(C(=O)[N-]S(=O)(=O)Cc2ccc(Cl)nc2)c1C ZINC000058152973 1291880685 /nfs/dbraw/zinc/88/06/85/1291880685.db2.gz JMBNLPNOKDJMJB-UHFFFAOYSA-N -1 0 338.816 3.186 20 30 EGEDRM C[C@H]1CCCC[C@@H]1OCC(=O)[N-]S(=O)(=O)c1ccccc1F ZINC000073087393 1292305829 /nfs/dbraw/zinc/30/58/29/1292305829.db2.gz ZCMFXBWXABUUMG-AAEUAGOBSA-N -1 0 329.393 3.066 20 30 EGEDRM COc1csc(C(=O)[N-]S(=O)(=O)c2ccc(C)cc2C)c1 ZINC000080250882 1292592573 /nfs/dbraw/zinc/59/25/73/1292592573.db2.gz QKODLWZPEWLCDZ-UHFFFAOYSA-N -1 0 325.411 3.067 20 30 EGEDRM N#Cc1ccc(O)c([N-]S(=O)(=O)c2cccc(Cl)c2Cl)c1 ZINC000080941230 1292631105 /nfs/dbraw/zinc/63/11/05/1292631105.db2.gz ONBCCCYFWWYTNK-UHFFFAOYSA-N -1 0 343.191 3.371 20 30 EGEDRM COc1cccc([C@H](C)CC(=O)[N-]S(=O)(=O)C2CCCC2)c1 ZINC000086054395 1292727373 /nfs/dbraw/zinc/72/73/73/1292727373.db2.gz MDBARDAOUPIGQJ-GFCCVEGCSA-N -1 0 325.430 3.418 20 30 EGEDRM COc1ccccc1[C@H](C)CC(=O)[N-]S(=O)(=O)C1CCCC1 ZINC000086054476 1292727555 /nfs/dbraw/zinc/72/75/55/1292727555.db2.gz XBMZEQYBAQFHAE-GFCCVEGCSA-N -1 0 325.430 3.418 20 30 EGEDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)CCSc1ccccn1 ZINC000088799638 1292756259 /nfs/dbraw/zinc/75/62/59/1292756259.db2.gz MOCXPQQVPWZZKH-UHFFFAOYSA-N -1 0 336.438 3.218 20 30 EGEDRM CC[C@@H](C)n1ncc(C(=O)[N-]S(=O)(=O)C2CCCC2)c1C1CC1 ZINC000089982075 1292783815 /nfs/dbraw/zinc/78/38/15/1292783815.db2.gz FYRSEDAXKNIWTR-LLVKDONJSA-N -1 0 339.461 3.309 20 30 EGEDRM Cc1cccc(CC(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCCO3)c1 ZINC000091125680 1292820615 /nfs/dbraw/zinc/82/06/15/1292820615.db2.gz QQEHLJQNQWWYBK-UHFFFAOYSA-N -1 0 345.420 3.208 20 30 EGEDRM Cc1c(C(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2)cnn1C(C)C ZINC000092692822 1292883260 /nfs/dbraw/zinc/88/32/60/1292883260.db2.gz TYQAAFFWDXFZGI-UHFFFAOYSA-N -1 0 341.820 3.119 20 30 EGEDRM COc1cc(/C=C2\Cc3ccc(C)cc3C2=O)cc([N+](=O)[O-])c1[O-] ZINC000108145188 1293075965 /nfs/dbraw/zinc/07/59/65/1293075965.db2.gz DZURCHDOSMSBHV-AWNIVKPZSA-N -1 0 325.320 3.440 20 30 EGEDRM CC(C)(C)OC(=O)NCC(C)(C)CN=Nc1ccccc1C(=O)[O-] ZINC000834935685 1293178293 /nfs/dbraw/zinc/17/82/93/1293178293.db2.gz MQGPEXVZBRAWCM-UHFFFAOYSA-N -1 0 335.404 3.333 20 30 EGEDRM C=CCC1(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCC3)CCCC1 ZINC000835038399 1293191956 /nfs/dbraw/zinc/19/19/56/1293191956.db2.gz REOGMPZDMKWSED-UHFFFAOYSA-N -1 0 333.453 3.117 20 30 EGEDRM C=CCC1(C(=O)[N-]S(=O)(=O)Cc2c(F)cccc2F)CCCC1 ZINC000835240692 1293240457 /nfs/dbraw/zinc/24/04/57/1293240457.db2.gz DWJYMHRLERPCGI-UHFFFAOYSA-N -1 0 343.395 3.047 20 30 EGEDRM C=CCC1(C(=O)[N-]S(=O)(=O)c2cn(C)c3ccccc23)CCCC1 ZINC000835255092 1293244291 /nfs/dbraw/zinc/24/42/91/1293244291.db2.gz GWHFRRLXKHXCFZ-UHFFFAOYSA-N -1 0 346.452 3.120 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2ccc(F)c(C(F)(F)F)c2)C(=O)O1 ZINC000120673827 1293332599 /nfs/dbraw/zinc/33/25/99/1293332599.db2.gz GBVQKPWDGOCQIA-KQIUPUNMSA-N -1 0 342.244 3.073 20 30 EGEDRM COCCOc1ccc(C(=O)/C=C/c2ccc(O)c(F)c2)cc1OC ZINC000121056933 1293352604 /nfs/dbraw/zinc/35/26/04/1293352604.db2.gz OCNIYZIBQSFCPK-ZZXKWVIFSA-N -1 0 346.354 3.461 20 30 EGEDRM Cc1c2cc(F)ccc2sc1C([O-])=C(C#N)C(=O)N1CCCC1 ZINC000121173291 1293359164 /nfs/dbraw/zinc/35/91/64/1293359164.db2.gz BNPXSGNBZWMVTC-CYBMUJFWSA-N -1 0 330.384 3.294 20 30 EGEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1ccc(OCC2CC2)cc1 ZINC000121269619 1293362731 /nfs/dbraw/zinc/36/27/31/1293362731.db2.gz YRGPUAIBOURSBC-SFHVURJKSA-N -1 0 340.423 3.247 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])c(/C=N\C2CCN(c3ccccc3)CC2)c1 ZINC000122206243 1293404292 /nfs/dbraw/zinc/40/42/92/1293404292.db2.gz HBZHCNUTCZHCAM-UYRXBGFRSA-N -1 0 325.368 3.388 20 30 EGEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1cc2c(s1)CCCC2 ZINC000126665869 1293540776 /nfs/dbraw/zinc/54/07/76/1293540776.db2.gz OPGVNGHYBKCWFQ-OAHLLOKOSA-N -1 0 338.432 3.266 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cnc([C@@H]2CCCO2)s1 ZINC000127674492 1293570424 /nfs/dbraw/zinc/57/04/24/1293570424.db2.gz PWEOBYQLBCECDA-OLZOCXBDSA-N -1 0 349.456 3.014 20 30 EGEDRM CC(C)NC(=O)C(C#N)=C([O-])c1cnc(-c2ccccc2Cl)s1 ZINC000127668057 1293570561 /nfs/dbraw/zinc/57/05/61/1293570561.db2.gz RIDDNMJEKNIZOU-NSHDSACASA-N -1 0 347.827 3.311 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)C(=O)N2CCCC2)c(C)cc1Br ZINC000131132995 1293679650 /nfs/dbraw/zinc/67/96/50/1293679650.db2.gz BRAMCHCKHAOMAB-CYBMUJFWSA-N -1 0 349.228 3.011 20 30 EGEDRM CC(=Cc1cccc(Cl)c1)C(O)=C(C#N)C(=O)c1nccn1C ZINC000134114127 1293763033 /nfs/dbraw/zinc/76/30/33/1293763033.db2.gz JWHQCHWWIUZECF-MSKHEQNASA-N -1 0 327.771 3.069 20 30 EGEDRM Cc1ccc2cc(C([O-])=C(C#N)C(=O)NCc3ccccc3)ccc2n1 ZINC000136568318 1293817531 /nfs/dbraw/zinc/81/75/31/1293817531.db2.gz AJFZNVCAKWNNOO-GOSISDBHSA-N -1 0 343.386 3.182 20 30 EGEDRM CNC(=O)C(C#N)=C([O-])c1cc2c(s1)-c1ccccc1C(C)(C)C2 ZINC000170673103 1294376583 /nfs/dbraw/zinc/37/65/83/1294376583.db2.gz MKIWRKVOCCLFIG-CYBMUJFWSA-N -1 0 338.432 3.317 20 30 EGEDRM COc1cc(/C=C2/CCOc3ccccc3C2=O)cc([N+](=O)[O-])c1[O-] ZINC000170852130 1294383938 /nfs/dbraw/zinc/38/39/38/1294383938.db2.gz RSJPQZNKUJMIKY-WQLSENKSSA-N -1 0 341.319 3.358 20 30 EGEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1cc(Oc2ccccc2)ccn1 ZINC000173968916 1294475606 /nfs/dbraw/zinc/47/56/06/1294475606.db2.gz NEHXTILLACLQMI-QGZVFWFLSA-N -1 0 349.390 3.255 20 30 EGEDRM N#Cc1ccc(O)c([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000175685144 1294569116 /nfs/dbraw/zinc/56/91/16/1294569116.db2.gz AHPZUPQSOWIZEO-UHFFFAOYSA-N -1 0 343.191 3.371 20 30 EGEDRM COc1ccc(C[N-]C(=O)C(F)(F)C(F)F)c(C(F)(F)F)c1 ZINC000176375479 1294601980 /nfs/dbraw/zinc/60/19/80/1294601980.db2.gz CSEPJCGSFFFJFT-UHFFFAOYSA-N -1 0 333.203 3.231 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)c2cccc(Oc3cnccn3)c2)c1 ZINC000176400775 1294604481 /nfs/dbraw/zinc/60/44/81/1294604481.db2.gz WDIYLSHIJXEBHA-UHFFFAOYSA-N -1 0 332.319 3.098 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)c2cc(Br)ccc2F)c1 ZINC000176818600 1294634599 /nfs/dbraw/zinc/63/45/99/1294634599.db2.gz DWBOVEQJENYADS-UHFFFAOYSA-N -1 0 335.132 3.418 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cc2nc(C)ccc2o1 ZINC000179604362 1294807951 /nfs/dbraw/zinc/80/79/51/1294807951.db2.gz WXLWWMMVJLUYMQ-CYBMUJFWSA-N -1 0 327.384 3.155 20 30 EGEDRM COc1ccc2cc(C(=O)Nc3cc(C#N)ccc3[O-])c(C)nc2c1 ZINC000179729878 1294820501 /nfs/dbraw/zinc/82/05/01/1294820501.db2.gz LULSXOCWUPJCRF-UHFFFAOYSA-N -1 0 333.347 3.381 20 30 EGEDRM C[C@@H](CC(=O)C(C#N)=C([O-])c1nccn1C)Cc1ccc(Cl)cc1 ZINC000179844017 1294832959 /nfs/dbraw/zinc/83/29/59/1294832959.db2.gz ZVSLHCRJVOSWCC-DOMZBBRYSA-N -1 0 343.814 3.234 20 30 EGEDRM C[C@@H](C#N)Oc1ccccc1NC(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000183102676 1295098244 /nfs/dbraw/zinc/09/82/44/1295098244.db2.gz OOMDHMZFIKWCHP-ZDUSSCGKSA-N -1 0 348.362 3.121 20 30 EGEDRM Cc1ccc(F)c(S(=O)(=O)[N-]c2ccccc2O[C@H](C)C#N)c1 ZINC000183133523 1295101352 /nfs/dbraw/zinc/10/13/52/1295101352.db2.gz UUGXCHAWRLXHAW-GFCCVEGCSA-N -1 0 334.372 3.226 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000191267667 1295665912 /nfs/dbraw/zinc/66/59/12/1295665912.db2.gz LARVQZGDUPZYJR-LLVKDONJSA-N -1 0 329.318 3.298 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1nc(-c2ccco2)sc1C ZINC000193379468 1295858147 /nfs/dbraw/zinc/85/81/47/1295858147.db2.gz YAZDEFVTXFRXFX-GFCCVEGCSA-N -1 0 345.424 3.340 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(OC(C)C)c(OC)c1 ZINC000193369777 1295858915 /nfs/dbraw/zinc/85/89/15/1295858915.db2.gz PXCPXZSCXOFGEG-OAHLLOKOSA-N -1 0 346.427 3.111 20 30 EGEDRM FC(F)Oc1ccc(C=Nn2c(=S)[n-]nc2C(F)(F)F)cc1 ZINC000254799710 1296477571 /nfs/dbraw/zinc/47/75/71/1296477571.db2.gz IKGQOSLMPXJBGJ-UHFFFAOYSA-N -1 0 338.261 3.069 20 30 EGEDRM O=C(/C=C\c1cccc(F)c1)c1ccc([O-])c(CN2CCOCC2)c1 ZINC000255335404 1296520894 /nfs/dbraw/zinc/52/08/94/1296520894.db2.gz MILPCOFJFIFYIH-XQRVVYSFSA-N -1 0 341.382 3.260 20 30 EGEDRM COCCOc1ccc(C(=O)/C=C\c2ccc([N+](=O)[O-])c([O-])c2)cc1 ZINC000255362898 1296524142 /nfs/dbraw/zinc/52/41/42/1296524142.db2.gz XEAPCRSGALNMIE-OQFOIZHKSA-N -1 0 343.335 3.222 20 30 EGEDRM COc1cc(/C=C\C(=O)c2ccc(F)cc2[O-])ccc1OCC#N ZINC000255590355 1296550796 /nfs/dbraw/zinc/55/07/96/1296550796.db2.gz SIGDUDOIXIFMMT-KXFIGUGUSA-N -1 0 327.311 3.338 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])c(/C=N\CCc2nc3c(s2)CCCC3)c1 ZINC000255596044 1296552211 /nfs/dbraw/zinc/55/22/11/1296552211.db2.gz WCCWDVXEDGJQEI-YVLHZVERSA-N -1 0 331.397 3.297 20 30 EGEDRM Cn1c(=O)oc2cc(N=Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])ccc21 ZINC000255621529 1296554330 /nfs/dbraw/zinc/55/43/30/1296554330.db2.gz JVIRVPLOHDCRMK-UHFFFAOYSA-N -1 0 347.714 3.149 20 30 EGEDRM COc1cc(/C=C\C(=O)c2ccc([O-])c(F)c2)cc(OC)c1OC ZINC000255767250 1296567521 /nfs/dbraw/zinc/56/75/21/1296567521.db2.gz GEUJIYKDPZNSFG-XQRVVYSFSA-N -1 0 332.327 3.453 20 30 EGEDRM C#CCOc1ccc(F)cc1NC(=O)CC1(C(=O)[O-])CCCCC1 ZINC000872940413 1297180604 /nfs/dbraw/zinc/18/06/04/1297180604.db2.gz VCLQOMJIDBDQRI-UHFFFAOYSA-N -1 0 333.359 3.201 20 30 EGEDRM N#CCCN(CC1CC1)C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-] ZINC000874356170 1297873250 /nfs/dbraw/zinc/87/32/50/1297873250.db2.gz SMJQLMHBEQPHFP-UHFFFAOYSA-N -1 0 338.363 3.231 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cn1 ZINC000690537988 1298130841 /nfs/dbraw/zinc/13/08/41/1298130841.db2.gz HHNIOVCQKBUNRJ-UHFFFAOYSA-N -1 0 328.180 3.061 20 30 EGEDRM CCC(CC)NN=Cc1ccc(OCC(=O)[O-])c(Br)c1 ZINC000743440759 1298412492 /nfs/dbraw/zinc/41/24/92/1298412492.db2.gz XRBAXBVPKKJRKR-UHFFFAOYSA-N -1 0 343.221 3.025 20 30 EGEDRM C=CCN1c2ccccc2C(=N[N-]c2oc(C(C)C)nc2C#N)C1=O ZINC000745612134 1298430798 /nfs/dbraw/zinc/43/07/98/1298430798.db2.gz QVKUKEJPOWVQNQ-UHFFFAOYSA-N -1 0 335.367 3.018 20 30 EGEDRM C=CCOc1ccc(/C=C\C(=O)N[C@@](C)(CCC)C(=O)[O-])cc1OC ZINC000746373299 1298578087 /nfs/dbraw/zinc/57/80/87/1298578087.db2.gz YOBDRMHZMABLBS-QIBOZCLASA-N -1 0 347.411 3.033 20 30 EGEDRM C#Cc1cccc(NC(=O)c2nn(-c3cc(C)ccc3F)cc2[O-])c1 ZINC000748022893 1298909856 /nfs/dbraw/zinc/90/98/56/1298909856.db2.gz XHWFHAJVEPUIQM-UHFFFAOYSA-N -1 0 335.338 3.259 20 30 EGEDRM CC(=NNc1nc2ccccc2n1C)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000749611969 1299247941 /nfs/dbraw/zinc/24/79/41/1299247941.db2.gz IYXSEDOJUOAUNK-UHFFFAOYSA-N -1 0 325.328 3.023 20 30 EGEDRM CCOc1c(OC)cc(C=NNc2ccccc2C(=O)[O-])cc1OC ZINC000750934377 1299481254 /nfs/dbraw/zinc/48/12/54/1299481254.db2.gz VCKIXCIMLUKUHC-UHFFFAOYSA-N -1 0 344.367 3.247 20 30 EGEDRM Cn1c(=O)oc2c1cccc2N=Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000753638925 1299998070 /nfs/dbraw/zinc/99/80/70/1299998070.db2.gz PAYFEKQEADWMBW-UHFFFAOYSA-N -1 0 347.714 3.149 20 30 EGEDRM O=C([O-])COc1ccccc1CN=Nc1nc(C(F)(F)F)cs1 ZINC000755903167 1300411885 /nfs/dbraw/zinc/41/18/85/1300411885.db2.gz HAGBZSWXFRBGDG-UHFFFAOYSA-N -1 0 345.302 3.071 20 30 EGEDRM C#CC[C@H](NC(=O)C[C@@](C)(C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000756845852 1300574809 /nfs/dbraw/zinc/57/48/09/1300574809.db2.gz HEPVZHKADHEGMK-GHTZIAJQSA-N -1 0 335.403 3.300 20 30 EGEDRM CCC(N=Nc1ncccc1[N+](=O)[O-])c1cc(C(=O)[O-])ccc1F ZINC000756894876 1300584263 /nfs/dbraw/zinc/58/42/63/1300584263.db2.gz BOMMJLPFRRVNGN-UHFFFAOYSA-N -1 0 332.291 3.053 20 30 EGEDRM COc1cc2c(cc1/C=C/C(=O)c1cc(F)cc(F)c1[O-])OCO2 ZINC000758932822 1300983590 /nfs/dbraw/zinc/98/35/90/1300983590.db2.gz WCKPBVLJETWISJ-NSCUHMNNSA-N -1 0 334.274 3.304 20 30 EGEDRM CC(C)(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ncc(C#N)s2)cc1 ZINC000759151368 1301026676 /nfs/dbraw/zinc/02/66/76/1301026676.db2.gz IVJLTNKHNPDRJP-UHFFFAOYSA-N -1 0 349.437 3.044 20 30 EGEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)C[C@H]1C=CCC1 ZINC000759233878 1301047140 /nfs/dbraw/zinc/04/71/40/1301047140.db2.gz BXEHUOUVYHIAJF-UONOGXRCSA-N -1 0 342.395 3.056 20 30 EGEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)C=C(CC)CC ZINC000759244081 1301047737 /nfs/dbraw/zinc/04/77/37/1301047737.db2.gz XLFVILHKBPSOAV-CQSZACIVSA-N -1 0 344.411 3.446 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2c(Cl)oc3ccccc32)C(=O)O1 ZINC000761199506 1301418117 /nfs/dbraw/zinc/41/81/17/1301418117.db2.gz FUQLLTISYIVNLV-IDTUSYRASA-N -1 0 330.723 3.314 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2cccc(C(C)C)n2)n1 ZINC000762047368 1301600604 /nfs/dbraw/zinc/60/06/04/1301600604.db2.gz VEQGOMGGHHGSSN-LBPRGKRZSA-N -1 0 343.408 3.003 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2cc(C)cc(Cl)c2)n1 ZINC000764071333 1302008220 /nfs/dbraw/zinc/00/82/20/1302008220.db2.gz HNRRVFJBFGOCHH-CYBMUJFWSA-N -1 0 348.811 3.447 20 30 EGEDRM CN(C)c1cc(F)ccc1C(=O)/C=C\c1cccc(OCC(=O)[O-])c1 ZINC000764442639 1302064226 /nfs/dbraw/zinc/06/42/26/1302064226.db2.gz PSEYBOKOBWROMX-TWGQIWQCSA-N -1 0 343.354 3.251 20 30 EGEDRM CC(=NNC(=S)Nc1ccccc1F)c1cccc(C(=O)[O-])c1 ZINC000764660261 1302112664 /nfs/dbraw/zinc/11/26/64/1302112664.db2.gz VDMJHPVPRDJJNX-UHFFFAOYSA-N -1 0 331.372 3.235 20 30 EGEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)c1cccc2c1CCCC2 ZINC000766063399 1302380118 /nfs/dbraw/zinc/38/01/18/1302380118.db2.gz QRYNLBOLUOCJQA-UHFFFAOYSA-N -1 0 342.420 3.246 20 30 EGEDRM C=C1CCC(C(=O)N2CCC(c3ncc(C(=O)[O-])s3)CC2)CC1 ZINC000887325671 1303743629 /nfs/dbraw/zinc/74/36/29/1303743629.db2.gz WWTPDCKWHOADEI-UHFFFAOYSA-N -1 0 334.441 3.294 20 30 EGEDRM N#CC(=C([O-])c1cccc(C2OCCO2)c1)c1nc2ccccc2o1 ZINC000775233312 1303927879 /nfs/dbraw/zinc/92/78/79/1303927879.db2.gz MQBXAKOOORLDPY-CQSZACIVSA-N -1 0 334.331 3.363 20 30 EGEDRM N#Cc1ccccc1N1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775648091 1304004209 /nfs/dbraw/zinc/00/42/09/1304004209.db2.gz QNEGTWJWSAYYFW-UHFFFAOYSA-N -1 0 345.805 3.379 20 30 EGEDRM N#Cc1cccc([C@H]2CN(C(=O)c3cccc(Cl)c3[O-])CCO2)c1 ZINC000775803008 1304040872 /nfs/dbraw/zinc/04/08/72/1304040872.db2.gz AIHNUPVCHSVZAT-MRXNPFEDSA-N -1 0 342.782 3.131 20 30 EGEDRM Cn1cc(C=NNc2ccccc2C(=O)[O-])c(-c2ccc(C#N)cc2)n1 ZINC000777879839 1304359855 /nfs/dbraw/zinc/35/98/55/1304359855.db2.gz ORUYPDMZNJETRT-UHFFFAOYSA-N -1 0 345.362 3.103 20 30 EGEDRM O=C([O-])CCOc1ccc(/C=C/C(=O)c2ccnc(Cl)c2)cc1 ZINC000779461115 1304575150 /nfs/dbraw/zinc/57/51/50/1304575150.db2.gz VUKARWGQNVZNIT-ZZXKWVIFSA-N -1 0 331.755 3.485 20 30 EGEDRM C[C@H](C#N)Oc1ccccc1NC(=O)CC1(C(=O)[O-])CCCCC1 ZINC000779704611 1304594034 /nfs/dbraw/zinc/59/40/34/1304594034.db2.gz SYIVAUNTNNZYNK-CYBMUJFWSA-N -1 0 330.384 3.341 20 30 EGEDRM O=C([O-])c1cccc(NN=Cc2cnn(Cc3ccc(F)cc3)c2)c1 ZINC000780187517 1304650632 /nfs/dbraw/zinc/65/06/32/1304650632.db2.gz VUEMLKZEWSUXFO-UHFFFAOYSA-N -1 0 338.342 3.215 20 30 EGEDRM Cc1c(C([O-])=C(C#N)C(=O)NC2CCCC2)cnn1C1CCCCC1 ZINC000781448649 1304829901 /nfs/dbraw/zinc/82/99/01/1304829901.db2.gz PBUJSZOWYNHPLM-INIZCTEOSA-N -1 0 342.443 3.078 20 30 EGEDRM C=CCCCCCOC(=O)c1cc(F)ccc1[N-]S(C)(=O)=O ZINC000782751361 1305009288 /nfs/dbraw/zinc/00/92/88/1305009288.db2.gz WBDSHALLXLKWIF-UHFFFAOYSA-N -1 0 329.393 3.100 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)oc1C ZINC000786535772 1305593086 /nfs/dbraw/zinc/59/30/86/1305593086.db2.gz VCSNSFSHOHMTOG-CQSZACIVSA-N -1 0 330.771 3.189 20 30 EGEDRM N#CC(C(=O)NCc1cccc(Cl)c1)=C([O-])c1cc(F)cc(F)c1 ZINC000786540098 1305594494 /nfs/dbraw/zinc/59/44/94/1305594494.db2.gz YJLZZXUJUXTLLG-OAHLLOKOSA-N -1 0 348.736 3.257 20 30 EGEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2ccc(Cl)c(F)c2)c1 ZINC000786552674 1305596039 /nfs/dbraw/zinc/59/60/39/1305596039.db2.gz OWGUGQLPWWYYAC-CQSZACIVSA-N -1 0 344.773 3.426 20 30 EGEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2ccc(C(C)C)nc2)c1 ZINC000786552991 1305596843 /nfs/dbraw/zinc/59/68/43/1305596843.db2.gz QRMBGNYVWSVBLV-QGZVFWFLSA-N -1 0 335.407 3.152 20 30 EGEDRM CCC(=O)c1ccc(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)cc1 ZINC000786552778 1305596883 /nfs/dbraw/zinc/59/68/83/1305596883.db2.gz QFILMOJRLXFXAB-GOSISDBHSA-N -1 0 348.402 3.227 20 30 EGEDRM Cc1ccc(C([O-])=C(C#N)C(=O)NCc2ccc(F)c(F)c2)cc1C ZINC000786565358 1305598967 /nfs/dbraw/zinc/59/89/67/1305598967.db2.gz QUZUTBRKCXXJJV-HNNXBMFYSA-N -1 0 342.345 3.221 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2cccc(Cl)c2C)n1 ZINC000787077529 1305685543 /nfs/dbraw/zinc/68/55/43/1305685543.db2.gz JRPGYORBQGCEFF-LBPRGKRZSA-N -1 0 348.811 3.447 20 30 EGEDRM [O-]c1c(Cl)cc(Cl)cc1C=NN[C@@H](CO)c1ccccc1 ZINC000788467313 1305949689 /nfs/dbraw/zinc/94/96/89/1305949689.db2.gz AKZKDHHJNXITHI-AWEZNQCLSA-N -1 0 325.195 3.356 20 30 EGEDRM O=C([O-])[C@H]1CCC(=NNCCCOc2ccccc2)c2ccccc21 ZINC000789004238 1306061762 /nfs/dbraw/zinc/06/17/62/1306061762.db2.gz QAOMUMYMEQOELW-SFHVURJKSA-N -1 0 338.407 3.411 20 30 EGEDRM CCc1cncc(C([O-])=C(C#N)C(=O)N[C@H](CC)c2ccccc2)c1 ZINC000789491362 1306169797 /nfs/dbraw/zinc/16/97/97/1306169797.db2.gz JWJNTSWIDLUTOH-QZTJIDSGSA-N -1 0 335.407 3.234 20 30 EGEDRM CC(N=Nc1cccc(F)c1[N+](=O)[O-])c1ccc(C(=O)[O-])c(F)c1 ZINC000790306036 1306294831 /nfs/dbraw/zinc/29/48/31/1306294831.db2.gz CHHIDLHLFPIPNI-UHFFFAOYSA-N -1 0 335.266 3.407 20 30 EGEDRM CC(C)CN1c2ccccc2C(=NNc2ccccc2C(=O)[O-])C1=O ZINC000793001214 1309279215 /nfs/dbraw/zinc/27/92/15/1309279215.db2.gz HNYXKMLIXMQIAV-UHFFFAOYSA-N -1 0 337.379 3.204 20 30 EGEDRM CC[C@H](NN=Cc1sc(Nc2ccccc2)nc1Cl)C(=O)[O-] ZINC000793057628 1309288141 /nfs/dbraw/zinc/28/81/41/1309288141.db2.gz ORSVZDPTNPOHSS-JTQLQIEISA-N -1 0 338.820 3.327 20 30 EGEDRM COC(=O)C[C@H]1CCC(N=Nc2ccc(Cl)c(C(=O)[O-])c2)[C@@H]1C ZINC000794453091 1309529557 /nfs/dbraw/zinc/52/95/57/1309529557.db2.gz JJFPWTLCKMUZRF-NXEZZACHSA-N -1 0 338.791 3.415 20 30 EGEDRM COc1cc(OC)c(/C=C\C(=O)c2ccc(F)cc2[O-])c(OC)c1 ZINC000794702791 1309578111 /nfs/dbraw/zinc/57/81/11/1309578111.db2.gz SJXCWANMCDLATC-SREVYHEPSA-N -1 0 332.327 3.453 20 30 EGEDRM CC(C)OC(=O)CC[C@@H](C)/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000794832419 1309603700 /nfs/dbraw/zinc/60/37/00/1309603700.db2.gz IOYYMTXCSRPXIF-UWOUAGFBSA-N -1 0 342.779 3.493 20 30 EGEDRM C=CC[C@H](CC)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795978301 1309873079 /nfs/dbraw/zinc/87/30/79/1309873079.db2.gz ZMUKFQZBPNZWHS-QMMMGPOBSA-N -1 0 336.772 3.020 20 30 EGEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1cnc2c(F)cccc2c1 ZINC000796749538 1310080227 /nfs/dbraw/zinc/08/02/27/1310080227.db2.gz VQVZHMATYHKMMY-INIZCTEOSA-N -1 0 347.349 3.013 20 30 EGEDRM C=C[C@H](CC(=O)[N-]S(=O)(=O)Cc1ccccc1C)c1ccccc1 ZINC000798898358 1310456400 /nfs/dbraw/zinc/45/64/00/1310456400.db2.gz JDBQIMWQWYFSHY-MRXNPFEDSA-N -1 0 343.448 3.301 20 30 EGEDRM O=C([O-])Cn1cc(C=NNc2ccc(Cl)nc2)c2ccccc21 ZINC000799881729 1310632869 /nfs/dbraw/zinc/63/28/69/1310632869.db2.gz RLQIKFOPZBMPEP-UHFFFAOYSA-N -1 0 328.759 3.220 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)c(Cl)n1 ZINC000800832288 1310815922 /nfs/dbraw/zinc/81/59/22/1310815922.db2.gz OCEXCHLWJKOICL-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N(O)Cc1cccc2ccccc21 ZINC000900091739 1317234876 /nfs/dbraw/zinc/23/48/76/1317234876.db2.gz KTMKTCNPFNQEKN-UHFFFAOYSA-N -1 0 338.319 3.485 20 30 EGEDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N(O)Cc1ccc(F)cc1 ZINC000900096201 1317235949 /nfs/dbraw/zinc/23/59/49/1317235949.db2.gz VQIOGMOYPBONGV-UHFFFAOYSA-N -1 0 340.694 3.125 20 30 EGEDRM CCCCCCCOc1ccc(CN2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000901490292 1317435570 /nfs/dbraw/zinc/43/55/70/1317435570.db2.gz NGPXDWRMFQUSMX-SFHVURJKSA-N -1 0 335.444 3.321 20 30 EGEDRM O=C([O-])[C@@H]1C/C(=C\c2cccc3c2OCCO3)C(=O)c2ccccc21 ZINC000806561430 1317501659 /nfs/dbraw/zinc/50/16/59/1317501659.db2.gz VHYXAASSVPOZSV-QSOAKEGCSA-N -1 0 336.343 3.296 20 30 EGEDRM CC(=O)Nc1ccc(/C=C2/C[C@H](C(=O)[O-])c3ccccc3C2=O)cc1 ZINC000806562194 1317501795 /nfs/dbraw/zinc/50/17/95/1317501795.db2.gz IDDLHVLIOQKTSQ-BLSFAOBESA-N -1 0 335.359 3.483 20 30 EGEDRM O=C([O-])[C@@H]1C/C(=C/c2ccc3c(c2)OCCO3)C(=O)c2ccccc21 ZINC000806561029 1317502052 /nfs/dbraw/zinc/50/20/52/1317502052.db2.gz QSOUKWAQIZULME-RCBBPTIPSA-N -1 0 336.343 3.296 20 30 EGEDRM CC(C)(C)c1ncc(/C=C\C(=O)c2ccc([O-])c([N+](=O)[O-])c2)cn1 ZINC000806567508 1317502840 /nfs/dbraw/zinc/50/28/40/1317502840.db2.gz XPLWGCALBSXDHH-XQRVVYSFSA-N -1 0 327.340 3.284 20 30 EGEDRM C[C@H](Oc1ccc(/C=C2\Cc3nc(Cl)ccc3C2=O)cc1)C(=O)[O-] ZINC000806578070 1317506243 /nfs/dbraw/zinc/50/62/43/1317506243.db2.gz MIUKLYPNOGRVOA-MJWAUXSNSA-N -1 0 343.766 3.409 20 30 EGEDRM O=C([O-])c1cc(/C=C\C(=O)c2cnn(Cc3ccccc3)c2)ccc1O ZINC000809156785 1317776645 /nfs/dbraw/zinc/77/66/45/1317776645.db2.gz FRNFSJHIOMUBEN-VURMDHGXSA-N -1 0 348.358 3.231 20 30 EGEDRM Cc1c(C(=O)N(O)Cc2ccccc2Cl)cnn1C1CCOCC1 ZINC000904190870 1317807131 /nfs/dbraw/zinc/80/71/31/1317807131.db2.gz SGLPCODJPQYTKH-UHFFFAOYSA-N -1 0 349.818 3.228 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2ccc(OCCCC)cc2)CC1 ZINC000810981526 1318085545 /nfs/dbraw/zinc/08/55/45/1318085545.db2.gz DEZLAOSXDXBUSQ-UHFFFAOYSA-N -1 0 337.441 3.034 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@H](C)CCCc2ccccc2)CC1 ZINC000810984450 1318086254 /nfs/dbraw/zinc/08/62/54/1318086254.db2.gz AXNNLKUCZTXFGX-OAHLLOKOSA-N -1 0 335.469 3.200 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H](C)CCCc2ccccc2)CC1 ZINC000810984449 1318086548 /nfs/dbraw/zinc/08/65/48/1318086548.db2.gz AXNNLKUCZTXFGX-HNNXBMFYSA-N -1 0 335.469 3.200 20 30 EGEDRM N#Cc1c(F)cccc1/C=C\C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000811686516 1318226938 /nfs/dbraw/zinc/22/69/38/1318226938.db2.gz DDCBMCDCWJGYJA-FPLPWBNLSA-N -1 0 325.295 3.057 20 30 EGEDRM Cc1c(Cl)nccc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000811835901 1318275845 /nfs/dbraw/zinc/27/58/45/1318275845.db2.gz SWKGTPIYMYPLFR-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM C=CCC[C@H](NC(=O)Nc1cnn([C@H](C)c2ccccc2)c1)C(=O)[O-] ZINC000908678969 1318388944 /nfs/dbraw/zinc/38/89/44/1318388944.db2.gz JELFGCCCSISXKV-CJNGLKHVSA-N -1 0 342.399 3.033 20 30 EGEDRM C=CC(C)(C)CC(=O)NC[C@H](Cc1ccc(OCC)cc1)C(=O)[O-] ZINC000909169908 1318445469 /nfs/dbraw/zinc/44/54/69/1318445469.db2.gz JDJZMCMRZBGJJY-HNNXBMFYSA-N -1 0 333.428 3.047 20 30 EGEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)CCCC1CC1 ZINC000813061721 1318492912 /nfs/dbraw/zinc/49/29/12/1318492912.db2.gz QVNNZACIKHAHFY-AWEZNQCLSA-N -1 0 344.411 3.280 20 30 EGEDRM C[C@H](c1ccc(Cl)cc1Cl)S(=O)(=O)[N-]C(=O)CCCC#N ZINC000813081984 1318496908 /nfs/dbraw/zinc/49/69/08/1318496908.db2.gz RFFNBTAIXWPDNY-SECBINFHSA-N -1 0 349.239 3.194 20 30 EGEDRM C=C[C@H](CC(=O)N(CCC(=O)[O-])Cc1cccnc1)c1ccccc1 ZINC000911277576 1318733768 /nfs/dbraw/zinc/73/37/68/1318733768.db2.gz VSHNWSFASUFRSB-QGZVFWFLSA-N -1 0 338.407 3.245 20 30 EGEDRM C=CCC(C)(C)C[N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000814397005 1318734190 /nfs/dbraw/zinc/73/41/90/1318734190.db2.gz KCGGITPOSAHXGX-UHFFFAOYSA-N -1 0 343.317 3.263 20 30 EGEDRM C[C@H]1C(=NNC(=S)NC2CCCCC2)CC[C@H](C(=O)[O-])C1(C)C ZINC000814715880 1318803917 /nfs/dbraw/zinc/80/39/17/1318803917.db2.gz PAWBFVSBTVRXCT-WCQYABFASA-N -1 0 339.505 3.296 20 30 EGEDRM C[C@@H]1C(=NNC(=S)NC2CCCCC2)CC[C@H](C(=O)[O-])C1(C)C ZINC000814715879 1318804468 /nfs/dbraw/zinc/80/44/68/1318804468.db2.gz PAWBFVSBTVRXCT-DGCLKSJQSA-N -1 0 339.505 3.296 20 30 EGEDRM Cc1cc(C)c(C(=O)[O-])cc1C=NN1C(=S)N=NC1c1ccco1 ZINC000814738516 1318808635 /nfs/dbraw/zinc/80/86/35/1318808635.db2.gz BPFWWOUZKOWERT-UHFFFAOYSA-N -1 0 342.380 3.024 20 30 EGEDRM CC(C)c1cnc(C=Nn2c(=O)c3ccccc3[n-]c2=S)s1 ZINC000814781169 1318815100 /nfs/dbraw/zinc/81/51/00/1318815100.db2.gz ZSNFPLMRQGOKHN-UHFFFAOYSA-N -1 0 330.438 3.147 20 30 EGEDRM Cc1ccc(N=NC(C)CCc2ccc(OCC(=O)[O-])cc2)nc1 ZINC000814831667 1318826631 /nfs/dbraw/zinc/82/66/31/1318826631.db2.gz LVAGOISKBYDAMX-UHFFFAOYSA-N -1 0 327.384 3.274 20 30 EGEDRM COC(=O)c1ccccc1NN=Cc1cccc(C(=O)[O-])c1Cl ZINC000814893772 1318841221 /nfs/dbraw/zinc/84/12/21/1318841221.db2.gz AJBMVNUNRXXEKG-UHFFFAOYSA-N -1 0 332.743 3.271 20 30 EGEDRM CC(CCCCCCC(=O)[O-])N=Nc1cccc(S(C)(=O)=O)c1 ZINC000814896206 1318843158 /nfs/dbraw/zinc/84/31/58/1318843158.db2.gz OFFAVTOMDBOBDW-UHFFFAOYSA-N -1 0 340.445 3.303 20 30 EGEDRM C[C@@H]1C[C@H](C(=O)[O-])CCC1N=Nc1ccnc(Br)c1 ZINC000814904683 1318844883 /nfs/dbraw/zinc/84/48/83/1318844883.db2.gz UNQYEVMSDHEXFN-RKDXNWHRSA-N -1 0 326.194 3.133 20 30 EGEDRM Cc1cc(C)c(C(=O)[O-])cc1CN=Nc1cccc(F)c1[N+](=O)[O-] ZINC000814918687 1318849316 /nfs/dbraw/zinc/84/93/16/1318849316.db2.gz AXCQEAFTPGVTCM-UHFFFAOYSA-N -1 0 331.303 3.495 20 30 EGEDRM COc1cc(C(C)=NOC/C=C\Cl)ccc1OCCCC(=O)[O-] ZINC000814933813 1318853126 /nfs/dbraw/zinc/85/31/26/1318853126.db2.gz AWZKPJQYPADZEC-PVLKGITGSA-N -1 0 341.791 3.432 20 30 EGEDRM Cc1cc(C)c(C(=O)[O-])cc1C=NN[C@H](C)COc1ccccc1 ZINC000814935579 1318854602 /nfs/dbraw/zinc/85/46/02/1318854602.db2.gz OIEBTJFBATWSFM-OAHLLOKOSA-N -1 0 326.396 3.393 20 30 EGEDRM O=C([O-])CNN=Cc1ccc(-c2ccc(C(F)(F)F)cc2)s1 ZINC000814959107 1318860557 /nfs/dbraw/zinc/86/05/57/1318860557.db2.gz NGSXKSJLKQKROC-UHFFFAOYSA-N -1 0 328.315 3.442 20 30 EGEDRM CCCCCCCC(=O)N[C@@H](C)[C@H](C)C(=O)Nc1ncccc1O ZINC000816611285 1319192836 /nfs/dbraw/zinc/19/28/36/1319192836.db2.gz LWDMPSZWZGOQEO-KBPBESRZSA-N -1 0 335.448 3.227 20 30 EGEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N/C[C@H]2Cc3ccccc3O2)c1[O-] ZINC000914701262 1319365511 /nfs/dbraw/zinc/36/55/11/1319365511.db2.gz CNLVPXSKICIFHJ-NACCWKTGSA-N -1 0 332.743 3.376 20 30 EGEDRM CC(=NNc1nnc(C)c(=O)[n-]1)c1ccc(-c2cccs2)cc1 ZINC000818229961 1319522635 /nfs/dbraw/zinc/52/26/35/1319522635.db2.gz JWKNVDONETULDY-UHFFFAOYSA-N -1 0 325.397 3.450 20 30 EGEDRM Cc1cc(O)cc2c1C(=O)/C(=C/c1ccc(OCCC(=O)[O-])cc1)O2 ZINC000915988907 1319580430 /nfs/dbraw/zinc/58/04/30/1319580430.db2.gz NQGRRMYHBYQHAT-SXGWCWSVSA-N -1 0 340.331 3.170 20 30 EGEDRM CC(=NNc1nnc(C)c(=O)[n-]1)c1ccc(N2CCCCCC2)cc1 ZINC000916282847 1319630952 /nfs/dbraw/zinc/63/09/52/1319630952.db2.gz SDWMBRYFVUYEFI-UHFFFAOYSA-N -1 0 340.431 3.102 20 30 EGEDRM Cc1cc(C=Nn2c(=S)[n-]nc2C(F)(F)F)c(C)n1C1CC1 ZINC000916305185 1319636612 /nfs/dbraw/zinc/63/66/12/1319636612.db2.gz MDYBEXNCECKUFH-UHFFFAOYSA-N -1 0 329.351 3.221 20 30 EGEDRM C[C@@H]1CCC[C@H](NC(=S)NN=Cc2ccccc2C(=O)[O-])[C@@H]1C ZINC000916607666 1319682031 /nfs/dbraw/zinc/68/20/31/1319682031.db2.gz KWVPQDJWNSNQTD-JMSVASOKSA-N -1 0 333.457 3.008 20 30 EGEDRM C=CCNC(=O)C(C#N)=C([O-])c1ccc(C2SCCCS2)cc1 ZINC000916917736 1319724446 /nfs/dbraw/zinc/72/44/46/1319724446.db2.gz MWMANSXKQPSKMF-AWEZNQCLSA-N -1 0 346.477 3.180 20 30 EGEDRM Cc1ccc(C([O-])=C(C#N)C(=O)NC2CCCC2)cc1-n1cccc1 ZINC000917041295 1319742856 /nfs/dbraw/zinc/74/28/56/1319742856.db2.gz HIEAPZSABGQRKN-KRWDZBQOSA-N -1 0 335.407 3.167 20 30 EGEDRM CCc1cc(C#N)c([N-]S(=O)(=O)c2ccc(C)nc2Cl)s1 ZINC000820799493 1319955408 /nfs/dbraw/zinc/95/54/08/1319955408.db2.gz SGGHDFQOBJRDGJ-UHFFFAOYSA-N -1 0 341.845 3.340 20 30 EGEDRM O=C(/C=C\c1ccc([N+](=O)[O-])c([O-])c1)c1ccc([N+](=O)[O-])cc1F ZINC000821007055 1319992573 /nfs/dbraw/zinc/99/25/73/1319992573.db2.gz AXEZBDPFXMFMIZ-KXFIGUGUSA-N -1 0 332.243 3.244 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000837296222 1320594115 /nfs/dbraw/zinc/59/41/15/1320594115.db2.gz NZPQOMJPYVJMIP-UHFFFAOYSA-N -1 0 330.306 3.286 20 30 EGEDRM C=CCC[C@H](NC(=O)N[C@H]1CC2(CCC2)Oc2ccccc21)C(=O)[O-] ZINC000837299195 1320594755 /nfs/dbraw/zinc/59/47/55/1320594755.db2.gz SWQPDXSRZNHIDP-GJZGRUSLSA-N -1 0 344.411 3.152 20 30 EGEDRM Cc1cccc2[nH]c(C(C#N)=C([O-])[C@H](C)C(=O)OC(C)(C)C)nc21 ZINC000842308876 1321369905 /nfs/dbraw/zinc/36/99/05/1321369905.db2.gz WBHFEKLISDQYLQ-NWDGAFQWSA-N -1 0 327.384 3.025 20 30 EGEDRM CCOCCON=Cc1cccc(O[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000842529651 1321399405 /nfs/dbraw/zinc/39/94/05/1321399405.db2.gz GGZVMYZTJWPUJX-GOSISDBHSA-N -1 0 343.379 3.278 20 30 EGEDRM N#CC(=C([O-])C=CC1CCCC1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000842682448 1321417904 /nfs/dbraw/zinc/41/79/04/1321417904.db2.gz CUGSIIJQYDGLKY-JQPIKURYSA-N -1 0 348.410 3.120 20 30 EGEDRM CC1=C(C)C[C@@H](C(=O)[N-]S(=O)(=O)CC2(C#N)CCCCC2)CC1 ZINC000842759046 1321428877 /nfs/dbraw/zinc/42/88/77/1321428877.db2.gz RCUIVPMFOJROAP-HNNXBMFYSA-N -1 0 338.473 3.043 20 30 EGEDRM COc1cc(/C=C/C(=O)c2coc(C(C)C)n2)ccc1OCC(=O)[O-] ZINC000844551717 1321620089 /nfs/dbraw/zinc/62/00/89/1321620089.db2.gz HDJZITOVMXNRBM-GQCTYLIASA-N -1 0 345.351 3.166 20 30 EGEDRM CCOC(=O)[C@H]1CCC(N=Nc2cccc(C(=O)[O-])c2C)[C@@H](C)C1 ZINC000844622948 1321626452 /nfs/dbraw/zinc/62/64/52/1321626452.db2.gz GGCHCMXREQZCGD-AAEUAGOBSA-N -1 0 332.400 3.460 20 30 EGEDRM CCCCCCCCCS(=O)(=O)[N-]c1nnc([C@@H]2CCCO2)o1 ZINC000844825807 1321648183 /nfs/dbraw/zinc/64/81/83/1321648183.db2.gz NCHBBAUJHBGRMA-ZDUSSCGKSA-N -1 0 345.465 3.413 20 30 EGEDRM C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccc(SC(C)(C)C)cc1C ZINC000846153275 1321771750 /nfs/dbraw/zinc/77/17/50/1321771750.db2.gz FFFHPDLDUPMICB-LBPRGKRZSA-N -1 0 336.457 3.446 20 30 EGEDRM C=C(C)CO[N-]C(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000846539607 1321791653 /nfs/dbraw/zinc/79/16/53/1321791653.db2.gz JXKHAGOYRXLJRE-INIZCTEOSA-N -1 0 342.361 3.065 20 30 EGEDRM C=C[C@H](C)O[N-]C(=O)[C@@H](C)Oc1ccc(C)cc1Br ZINC000846548862 1321793278 /nfs/dbraw/zinc/79/32/78/1321793278.db2.gz GSQMQSYYWSQSCH-WDEREUQCSA-N -1 0 328.206 3.147 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)C[C@H]2CCCC[C@H]2C)n1 ZINC000920727665 1322212833 /nfs/dbraw/zinc/21/28/33/1322212833.db2.gz KZOMGMOJYWPFNK-MRVWCRGKSA-N -1 0 334.441 3.387 20 30 EGEDRM C=CCC(CC=C)C(=O)[N-]S(=O)(=O)Cc1cc(F)ccc1Cl ZINC000851168682 1322342968 /nfs/dbraw/zinc/34/29/68/1322342968.db2.gz HSHQVIQFJNUCJN-UHFFFAOYSA-N -1 0 345.823 3.194 20 30 EGEDRM C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC000923154569 1322702266 /nfs/dbraw/zinc/70/22/66/1322702266.db2.gz WUKBQWPBBLGONG-OXQOHEQNSA-N -1 0 347.414 3.412 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]c2cc(Cl)c(F)cc2C(=O)OC)CC1 ZINC001190814604 1367356751 /nfs/dbraw/zinc/35/67/51/1367356751.db2.gz JJHNAVFLZMSGBX-UHFFFAOYSA-N -1 0 347.795 3.116 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)N[C@@H](C)c1cc2cccc(OCC)c2o1 ZINC000929026818 1328490329 /nfs/dbraw/zinc/49/03/29/1328490329.db2.gz UBGFLPZFFDXRNP-LBPRGKRZSA-N -1 0 346.383 3.175 20 30 EGEDRM O=C(CCC(=O)C1=CC=C[CH]1)NCc1coc(-c2ccc(F)cc2)n1 ZINC001184247198 1387419416 /nfs/dbraw/zinc/41/94/16/1387419416.db2.gz JDEFSNLYDSKSCL-UHFFFAOYSA-N -1 0 339.346 3.147 20 30 EGEDRM C=CC[C@@H](NC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1)C(=O)[O-] ZINC001324425383 1387620216 /nfs/dbraw/zinc/62/02/16/1387620216.db2.gz RLJGZIDFVCSEQR-YVEFUNNKSA-N -1 0 327.380 3.097 20 30 EGEDRM N#Cc1ccsc1[N-]S(=O)(=O)c1ccc(-c2cnco2)cc1 ZINC001185187131 1387640562 /nfs/dbraw/zinc/64/05/62/1387640562.db2.gz VSUMIZGGJJAFDS-UHFFFAOYSA-N -1 0 331.378 3.076 20 30 EGEDRM N#Cc1cc(Cl)cc([N-]S(=O)(=O)c2ccc(Cl)nc2)c1 ZINC001185687756 1387778768 /nfs/dbraw/zinc/77/87/68/1387778768.db2.gz ZUHOQLUQYNGNHE-UHFFFAOYSA-N -1 0 328.180 3.061 20 30 EGEDRM N#Cc1ncc(F)cc1[N-]S(=O)(=O)c1ccc(F)c2ccccc21 ZINC001189362870 1367003566 /nfs/dbraw/zinc/00/35/66/1367003566.db2.gz FCIZFMRFSPDUCT-UHFFFAOYSA-N -1 0 345.330 3.185 20 30 EGEDRM CC(C)C[C@H](C#N)NC(=O)c1cc(Br)ccc1[S-] ZINC001189969626 1367142345 /nfs/dbraw/zinc/14/23/45/1367142345.db2.gz LRQWVBGWTBZOGZ-SNVBAGLBSA-N -1 0 327.247 3.406 20 30 EGEDRM CC(C)c1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2F)c(C#N)c1 ZINC001190647620 1367315199 /nfs/dbraw/zinc/31/51/99/1367315199.db2.gz CCCXPLSAFFQHFM-UHFFFAOYSA-N -1 0 343.383 3.493 20 30 EGEDRM CCC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C#N)ccc1F ZINC001190658380 1367321219 /nfs/dbraw/zinc/32/12/19/1367321219.db2.gz VVNRJEGQHLCFCI-UHFFFAOYSA-N -1 0 332.356 3.091 20 30 EGEDRM CCC1(NS(=O)(=O)c2cc(C#N)ccc2F)CCC(F)(F)CC1 ZINC001190677301 1367326954 /nfs/dbraw/zinc/32/69/54/1367326954.db2.gz QFTGOGGPANDUSF-UHFFFAOYSA-N -1 0 346.374 3.334 20 30 EGEDRM C#Cc1cc([N-]S(=O)(=O)c2cccc3cc(C)cnc32)ccc1F ZINC001191185786 1367441437 /nfs/dbraw/zinc/44/14/37/1367441437.db2.gz BHAMWZIYEOAGLO-UHFFFAOYSA-N -1 0 340.379 3.464 20 30 EGEDRM COc1ccc2cc(S(=O)(=O)[N-]c3occ(C)c3C#N)ccc2c1 ZINC001191944239 1367645715 /nfs/dbraw/zinc/64/57/15/1367645715.db2.gz FCQWCKXTGZQYBF-UHFFFAOYSA-N -1 0 342.376 3.422 20 30 EGEDRM N#Cc1cnnc(-c2ccccc2)c1NC(=O)c1ccc([O-])c(F)c1 ZINC001186208421 1387897443 /nfs/dbraw/zinc/89/74/43/1387897443.db2.gz DHKBMNIMAHNMGI-UHFFFAOYSA-N -1 0 334.310 3.112 20 30 EGEDRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2cc(F)cc(C#N)c2)c1 ZINC001192804769 1367878499 /nfs/dbraw/zinc/87/84/99/1367878499.db2.gz DNSIOPCRIMUEHW-UHFFFAOYSA-N -1 0 334.372 3.069 20 30 EGEDRM N#CCS(=O)(=O)[N-]c1cc(OC(F)(F)F)c(Cl)cc1Cl ZINC001192985834 1367916666 /nfs/dbraw/zinc/91/66/66/1367916666.db2.gz OZKSBGOVSGKQKP-UHFFFAOYSA-N -1 0 349.117 3.157 20 30 EGEDRM CCc1c(C)nc2sc(C#N)c([N-]S(=O)(=O)[C@@H](C)C#N)c2c1C ZINC001193113099 1367947712 /nfs/dbraw/zinc/94/77/12/1367947712.db2.gz ZKDLZUSQLUVSHE-QMMMGPOBSA-N -1 0 348.453 3.001 20 30 EGEDRM COc1cc2c(cc1[N-]S(=O)(=O)[C@H](C)C#N)oc1ccccc12 ZINC001193148826 1367954188 /nfs/dbraw/zinc/95/41/88/1367954188.db2.gz FXCPPUJROAMWMM-SNVBAGLBSA-N -1 0 330.365 3.248 20 30 EGEDRM C#Cc1cccc([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2Cl)c1 ZINC001193350659 1368007594 /nfs/dbraw/zinc/00/75/94/1368007594.db2.gz QFYSJFRGUFVTNL-UHFFFAOYSA-N -1 0 348.811 3.081 20 30 EGEDRM N#Cc1sc(-c2ccc(F)cc2)cc1NC(=O)c1cc(=O)[nH][n-]1 ZINC001193460925 1368035347 /nfs/dbraw/zinc/03/53/47/1368035347.db2.gz HGDBKLUZFMSYHU-UHFFFAOYSA-N -1 0 328.328 3.107 20 30 EGEDRM C[C@H]1OC2(CCN(C(=O)c3cccc(C#N)c3[O-])CC2)c2ccccc21 ZINC001193647326 1368082961 /nfs/dbraw/zinc/08/29/61/1368082961.db2.gz ZUPALWJIKNWQQL-CQSZACIVSA-N -1 0 348.402 3.487 20 30 EGEDRM Cc1cc(C#N)c(NC(=O)c2c([O-])c(F)c(F)c(F)c2F)s1 ZINC001195279315 1368412806 /nfs/dbraw/zinc/41/28/06/1368412806.db2.gz PPWIUFZAXQWSDG-UHFFFAOYSA-N -1 0 330.262 3.443 20 30 EGEDRM COc1ccc(C#N)cc1NC(=O)c1c([O-])c(F)c(F)c(F)c1F ZINC001195303490 1368417147 /nfs/dbraw/zinc/41/71/47/1368417147.db2.gz XAFIPUXSQZVISL-UHFFFAOYSA-N -1 0 340.232 3.081 20 30 EGEDRM N#Cc1ccc(F)c(F)c1[N-]C(=O)c1cc(-c2ccncc2)on1 ZINC001196224121 1368571038 /nfs/dbraw/zinc/57/10/38/1368571038.db2.gz SMBXWSGZROGEQV-UHFFFAOYSA-N -1 0 326.262 3.139 20 30 EGEDRM Cc1nc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)sc1C ZINC001196639965 1368654133 /nfs/dbraw/zinc/65/41/33/1368654133.db2.gz YBGOGGKHQNUYGX-UHFFFAOYSA-N -1 0 327.818 3.086 20 30 EGEDRM CC(C)(C)c1nnc([N-]C(=O)c2cc(-c3cccc(C#N)c3)on2)o1 ZINC001196757048 1368676848 /nfs/dbraw/zinc/67/68/48/1368676848.db2.gz YXPZWAYOKIMRTG-UHFFFAOYSA-N -1 0 337.339 3.146 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)c2csc3ccccc32)cc1C#N ZINC001186495296 1387955940 /nfs/dbraw/zinc/95/59/40/1387955940.db2.gz HTPNKYAYLPBEPH-UHFFFAOYSA-N -1 0 339.401 3.445 20 30 EGEDRM N#Cc1ccc2c(c1)CCN(C(=S)Nc1ccc(C(=O)[O-])cc1)C2 ZINC001197086278 1368743113 /nfs/dbraw/zinc/74/31/13/1368743113.db2.gz ZOMDMJIDQJOFAI-UHFFFAOYSA-N -1 0 337.404 3.012 20 30 EGEDRM N#Cc1cc(Cl)cc(Cl)c1[N-]S(=O)(=O)Cc1cccnc1 ZINC001197458959 1368820127 /nfs/dbraw/zinc/82/01/27/1368820127.db2.gz ZMFDRWOSCNBHIP-UHFFFAOYSA-N -1 0 342.207 3.202 20 30 EGEDRM N#Cc1cnoc1[N-]S(=O)(=O)c1ccccc1Oc1ccccc1 ZINC001198446777 1369033868 /nfs/dbraw/zinc/03/38/68/1369033868.db2.gz DTVWLWFHOQJAJV-UHFFFAOYSA-N -1 0 341.348 3.139 20 30 EGEDRM Cc1nc(Cl)sc1S(=O)(=O)[N-]c1c(C)ccc(C)c1C#N ZINC001201763774 1369619487 /nfs/dbraw/zinc/61/94/87/1369619487.db2.gz HHFUPIMOGURNND-UHFFFAOYSA-N -1 0 341.845 3.394 20 30 EGEDRM Cc1oncc1S(=O)(=O)[N-]c1ccc(-c2ccc(C#N)cc2)cc1 ZINC001187321204 1388093913 /nfs/dbraw/zinc/09/39/13/1388093913.db2.gz GNCGUXMDXBHMDY-UHFFFAOYSA-N -1 0 339.376 3.323 20 30 EGEDRM CC(=NNCC1CCOCC1)c1cc(Br)c(F)cc1[O-] ZINC001116333903 1370888366 /nfs/dbraw/zinc/88/83/66/1370888366.db2.gz PBRJIIWEHDRNBI-UHFFFAOYSA-N -1 0 345.212 3.034 20 30 EGEDRM Cc1oncc1S(=O)(=O)[N-]c1ccccc1C#Cc1ccccc1 ZINC001187376065 1388101056 /nfs/dbraw/zinc/10/10/56/1388101056.db2.gz JPSMJISIPXHXLX-UHFFFAOYSA-N -1 0 338.388 3.184 20 30 EGEDRM N#CC1(c2ccc(-c3cc(F)c(F)c(C(=O)[O-])c3)nc2)CCOCC1 ZINC001206016357 1370938885 /nfs/dbraw/zinc/93/88/85/1370938885.db2.gz ICBHSFSDIUGJOV-UHFFFAOYSA-N -1 0 344.317 3.297 20 30 EGEDRM Cc1nnc([S-])n(N=CC2CCC(c3ccccc3)CC2)c1=O ZINC001116904999 1370997962 /nfs/dbraw/zinc/99/79/62/1370997962.db2.gz LQRAHBJNOLSNRH-UHFFFAOYSA-N -1 0 328.441 3.043 20 30 EGEDRM C=CC[C@H](NC(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC001116922733 1371001012 /nfs/dbraw/zinc/00/10/12/1371001012.db2.gz ZUMFYIDRJOBSJU-MFKMUULPSA-N -1 0 329.318 3.345 20 30 EGEDRM COc1cc(C#N)ccc1Nc1cc(S(=O)(=O)[O-])ccc1Cl ZINC001209432303 1372104853 /nfs/dbraw/zinc/10/48/53/1372104853.db2.gz VCEWOPCVRLOTMV-UHFFFAOYSA-N -1 0 338.772 3.211 20 30 EGEDRM N#CC(=C([O-])c1cnc(C2CC2)s1)c1nc(N)c2ccccc2n1 ZINC001122493951 1372259643 /nfs/dbraw/zinc/25/96/43/1372259643.db2.gz YKZDVMSRWVGFLN-NSHDSACASA-N -1 0 335.392 3.036 20 30 EGEDRM N#CC(=C([O-])c1coc2ccccc21)c1nc(N)c2ccccc2n1 ZINC001122496311 1372259871 /nfs/dbraw/zinc/25/98/71/1372259871.db2.gz GAEWZOGUPFWLOH-CYBMUJFWSA-N -1 0 328.331 3.448 20 30 EGEDRM CCCC[C@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)C1CCC1 ZINC001210964171 1372462573 /nfs/dbraw/zinc/46/25/73/1372462573.db2.gz JIOWJVJAYFIOHZ-HNNXBMFYSA-N -1 0 342.411 3.474 20 30 EGEDRM CCCCCCCCS(=O)(=O)N[C@H]1c2cc(C)ccc2NC1=O ZINC001188021775 1388217528 /nfs/dbraw/zinc/21/75/28/1388217528.db2.gz SOOLFSYWIHVCCS-INIZCTEOSA-N -1 0 338.473 3.268 20 30 EGEDRM N#Cc1ccc(Nc2ccc(NC(=O)CCC(=O)[O-])cc2)c(F)c1F ZINC001213191766 1372856844 /nfs/dbraw/zinc/85/68/44/1372856844.db2.gz IISOHUAACOGFFI-UHFFFAOYSA-N -1 0 345.305 3.383 20 30 EGEDRM N#CCc1cc(Nc2ccc(NC(=O)CCC(=O)[O-])cc2)ccc1F ZINC001213198398 1372858225 /nfs/dbraw/zinc/85/82/25/1372858225.db2.gz CLUVTCHXVCZELT-UHFFFAOYSA-N -1 0 341.342 3.439 20 30 EGEDRM COc1cc(Nc2cc(OC)c(OC)cc2C#N)cc(C(=O)[O-])c1 ZINC001213592896 1372930947 /nfs/dbraw/zinc/93/09/47/1372930947.db2.gz RDPUYOHKTCOXAU-UHFFFAOYSA-N -1 0 328.324 3.026 20 30 EGEDRM C#Cc1nc(Br)cnc1Nc1ccc(Cl)c([O-])c1F ZINC001214793829 1373120820 /nfs/dbraw/zinc/12/08/20/1373120820.db2.gz MWHJCVMKZWEONB-UHFFFAOYSA-N -1 0 342.555 3.462 20 30 EGEDRM COc1ccc(Nc2c(C)cc(C#N)cc2C)c(S(=O)(=O)[O-])c1 ZINC001215646849 1373223614 /nfs/dbraw/zinc/22/36/14/1373223614.db2.gz JIHOKTGVTZHSEI-UHFFFAOYSA-N -1 0 332.381 3.174 20 30 EGEDRM Cc1c(Cl)c(Nc2cc(C#N)c(C#N)cc2N)ccc1C(=O)[O-] ZINC001215691749 1373232415 /nfs/dbraw/zinc/23/24/15/1373232415.db2.gz BADYRJCAXYAAKP-UHFFFAOYSA-N -1 0 326.743 3.416 20 30 EGEDRM N#Cc1cc(-c2nc(-c3cccc(-n4cccn4)c3)no2)ccc1[O-] ZINC001216969852 1373373189 /nfs/dbraw/zinc/37/31/89/1373373189.db2.gz SLBACKFZAJEUNP-UHFFFAOYSA-N -1 0 329.319 3.167 20 30 EGEDRM N#Cc1cc(-c2nc(-c3ccc(C4OCCO4)cc3)no2)ccc1[O-] ZINC001216969918 1373373405 /nfs/dbraw/zinc/37/34/05/1373373405.db2.gz UQTZOMPMBABBIB-UHFFFAOYSA-N -1 0 335.319 3.026 20 30 EGEDRM N#Cc1cccc(-c2nc(-c3ccc(-n4cccn4)cc3)no2)c1[O-] ZINC001216980224 1373374932 /nfs/dbraw/zinc/37/49/32/1373374932.db2.gz WBNORDUGJIRACV-UHFFFAOYSA-N -1 0 329.319 3.167 20 30 EGEDRM N#Cc1ccc(-c2nc(-c3ccc(C(F)(F)F)cn3)no2)c([O-])c1 ZINC001217038601 1373381075 /nfs/dbraw/zinc/38/10/75/1373381075.db2.gz CZADDVQLUJNUSM-UHFFFAOYSA-N -1 0 332.241 3.395 20 30 EGEDRM N#Cc1ccc(F)c(-c2noc(-c3c[n-]c4ccccc4c3=O)n2)c1 ZINC001217184443 1373400964 /nfs/dbraw/zinc/40/09/64/1373400964.db2.gz VTJXOLMOMMGJNU-UHFFFAOYSA-N -1 0 332.294 3.256 20 30 EGEDRM Cc1cc(-c2noc(-c3c[n-]c4ccccc4c3=O)n2)ccc1C#N ZINC001217185214 1373401034 /nfs/dbraw/zinc/40/10/34/1373401034.db2.gz YPOOCGTZWWUPGG-UHFFFAOYSA-N -1 0 328.331 3.425 20 30 EGEDRM Cc1cc(-c2noc(-c3csc4c3[n-]cnc4=O)n2)ccc1C#N ZINC001217592665 1373469670 /nfs/dbraw/zinc/46/96/70/1373469670.db2.gz HXSYCGWNEOBNLK-UHFFFAOYSA-N -1 0 335.348 3.294 20 30 EGEDRM COC(=O)c1ncc2n1CCC[C@@H]2O/C(=N\[O-])c1ccc(Cl)cc1 ZINC001223592543 1375040303 /nfs/dbraw/zinc/04/03/03/1375040303.db2.gz BZYRDKPNNGSYJC-XEMYWUMJSA-N -1 0 349.774 3.011 20 30 EGEDRM C=CCOc1ccccc1[C@H](C)Oc1nc2ncnc-2c(S)[n-]1 ZINC001226786709 1375334595 /nfs/dbraw/zinc/33/45/95/1375334595.db2.gz RLQGHHTUQRSLFU-JTQLQIEISA-N -1 0 328.397 3.346 20 30 EGEDRM CC#C[C@@H](CC)Oc1cc([O-])c(Br)cc1C(=O)OC ZINC001227360389 1375422114 /nfs/dbraw/zinc/42/21/14/1375422114.db2.gz UEJQXTPCZFHYKC-SECBINFHSA-N -1 0 327.174 3.122 20 30 EGEDRM C#C[C@H](Oc1[n-]c(C(F)(F)F)cc(=O)c1[N+](=O)[O-])c1ccccc1 ZINC001228861043 1375696597 /nfs/dbraw/zinc/69/65/97/1375696597.db2.gz ZTRGIMLTOFBNBK-NSHDSACASA-N -1 0 338.241 3.468 20 30 EGEDRM C=CCOc1ccccc1[C@@H](C)Oc1nc(C)[n-]c(=O)c1[N+](=O)[O-] ZINC001229382600 1375823336 /nfs/dbraw/zinc/82/33/36/1375823336.db2.gz VAGHZIYKXWAHEL-SNVBAGLBSA-N -1 0 331.328 3.104 20 30 EGEDRM C#C[C@H](Oc1ccc(C[C@H]2SC(=O)[N-]C2=O)cc1)c1ccccc1 ZINC001229627006 1375868849 /nfs/dbraw/zinc/86/88/49/1375868849.db2.gz VINQCGYOKOKZIT-DLBZAZTESA-N -1 0 337.400 3.334 20 30 EGEDRM COC(=O)CCCCCCCC(=O)Nc1cc(C#N)c(F)cc1[O-] ZINC001144951857 1378784190 /nfs/dbraw/zinc/78/41/90/1378784190.db2.gz UWCHMZJLVUTFGG-UHFFFAOYSA-N -1 0 336.363 3.245 20 30 EGEDRM C=CC[C@H](NC(=O)C1(c2ccc(C(F)(F)F)cc2)CCC1)C(=O)[O-] ZINC001327721001 1388590058 /nfs/dbraw/zinc/59/00/58/1388590058.db2.gz IIKJSBAVUGILRO-ZDUSSCGKSA-N -1 0 341.329 3.273 20 30 EGEDRM N#Cc1ccc2[n-]c(C(=O)Nc3ccc4ccncc4c3)cc(=O)c2c1 ZINC001154555625 1380304669 /nfs/dbraw/zinc/30/46/69/1380304669.db2.gz HFBXQYZCVRNIGC-UHFFFAOYSA-N -1 0 340.342 3.200 20 30 EGEDRM COc1ccc2cc(C(=O)Nc3cc(C#N)c(F)cc3[O-])cnc2c1 ZINC001155151380 1380416614 /nfs/dbraw/zinc/41/66/14/1380416614.db2.gz WHMIMWYZLRGKLP-UHFFFAOYSA-N -1 0 337.310 3.212 20 30 EGEDRM N#Cc1ccc(C2=CCN(C(=O)c3cc(F)cc(F)c3[O-])CC2)cc1 ZINC001295907078 1382864851 /nfs/dbraw/zinc/86/48/51/1382864851.db2.gz BCUZITBFINCWDO-UHFFFAOYSA-N -1 0 340.329 3.472 20 30 EGEDRM CC(C)Cn1ccc2c1cccc2C(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC001300044069 1383640916 /nfs/dbraw/zinc/64/09/16/1383640916.db2.gz CAOAVRMUBZQURX-UHFFFAOYSA-N -1 0 332.367 3.016 20 30 EGEDRM N#Cc1cccc2c1CC[C@H]2Nc1cc(C(F)(F)F)c(C(=O)[O-])nn1 ZINC001171065026 1384439985 /nfs/dbraw/zinc/43/99/85/1384439985.db2.gz QSXGZEYYZNTDEP-GFCCVEGCSA-N -1 0 348.284 3.165 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1Nc1c(C#N)cnn1-c1ccccc1 ZINC001174673323 1385132576 /nfs/dbraw/zinc/13/25/76/1385132576.db2.gz FBHVKGICBVSGFK-UHFFFAOYSA-N -1 0 334.335 3.194 20 30 EGEDRM N#Cc1c(F)cc(Br)cc1Nc1cncc(C(=O)[O-])c1 ZINC001175843531 1385419638 /nfs/dbraw/zinc/41/96/38/1385419638.db2.gz RYIANOPEOKNMKP-UHFFFAOYSA-N -1 0 336.120 3.297 20 30 EGEDRM Cc1cc(Cl)nc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1C#N ZINC001176678643 1385656216 /nfs/dbraw/zinc/65/62/16/1385656216.db2.gz WDDZDJRVDYNBMV-UHFFFAOYSA-N -1 0 332.703 3.265 20 30 EGEDRM Cn1c(C=NOC2CCCCC2)c(Br)cc1C(=O)[O-] ZINC001320446504 1386611457 /nfs/dbraw/zinc/61/14/57/1386611457.db2.gz WEWYJAWLEQOHKY-UHFFFAOYSA-N -1 0 329.194 3.169 20 30 EGEDRM C=CC[C@@H](NC(=O)Nc1ccc(COc2ccccc2)cc1)C(=O)[O-] ZINC001321582710 1386934492 /nfs/dbraw/zinc/93/44/92/1386934492.db2.gz KEFYNTBMQINOSY-QGZVFWFLSA-N -1 0 340.379 3.416 20 30 EGEDRM C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cc(C#N)c(F)cc1[O-] ZINC001181780691 1387054568 /nfs/dbraw/zinc/05/45/68/1387054568.db2.gz JTOBUEYVALCWDA-SECBINFHSA-N -1 0 334.734 3.462 20 30 EGEDRM C=CC[C@@H](NC(=O)Nc1ccc(Cl)c(OC(F)F)c1)C(=O)[O-] ZINC001322514182 1387198891 /nfs/dbraw/zinc/19/88/91/1387198891.db2.gz PQFNQWJJCQNPKP-SECBINFHSA-N -1 0 334.706 3.092 20 30 EGEDRM N#Cc1cc(NC(=O)CCOc2ccccc2Cl)c([O-])cc1F ZINC001182908295 1387244257 /nfs/dbraw/zinc/24/42/57/1387244257.db2.gz BTIKNFWNJKFNQH-UHFFFAOYSA-N -1 0 334.734 3.464 20 30 EGEDRM CCC(CC)(CNC(=O)N(Cc1ccc(C#N)cc1)C(C)C)C(=O)[O-] ZINC001339505811 1390050051 /nfs/dbraw/zinc/05/00/51/1390050051.db2.gz PMIQMWMUGKQURA-UHFFFAOYSA-N -1 0 345.443 3.369 20 30 EGEDRM C=C1CCC(C(=O)[N-]S(=O)(=O)c2cc(C(C)=O)c(C)cc2C)CC1 ZINC001333647320 1390365199 /nfs/dbraw/zinc/36/51/99/1390365199.db2.gz RZPKWSAYTOROSI-UHFFFAOYSA-N -1 0 349.452 3.057 20 30 EGEDRM C=CCC[C@@H](NCc1nc(-c2cccc(OC)c2)cs1)C(=O)[O-] ZINC001333938456 1390445981 /nfs/dbraw/zinc/44/59/81/1390445981.db2.gz MPDUGSFVXWCAJC-CQSZACIVSA-N -1 0 332.425 3.328 20 30 EGEDRM C=C(C)Cc1cccc(-c2nnc(N3CCC[C@H](CF)C3)n2C)c1O ZINC001341828472 1390534577 /nfs/dbraw/zinc/53/45/77/1390534577.db2.gz ULZDBFUXZGJZGM-CQSZACIVSA-N -1 0 344.434 3.492 20 30 EGEDRM Cc1cccnc1Oc1ccc(C([O-])=C(C#N)C(=O)NC(C)C)cc1 ZINC001341955510 1390554122 /nfs/dbraw/zinc/55/41/22/1390554122.db2.gz MUPVMOVEKWEFLN-MRXNPFEDSA-N -1 0 337.379 3.029 20 30 EGEDRM N#CC(=C([O-])c1ccc(C#N)c(Cl)c1)c1nc(N)c2ccccc2n1 ZINC001342595570 1390630296 /nfs/dbraw/zinc/63/02/96/1390630296.db2.gz MVCAJNVBIDMCLE-CYBMUJFWSA-N -1 0 347.765 3.227 20 30 EGEDRM Cc1sc(Cl)nc1C([O-])=C(C#N)C(=O)NCc1cccc(C)c1 ZINC001343409143 1390712066 /nfs/dbraw/zinc/71/20/66/1390712066.db2.gz AEAJBFMZEZKSEE-LBPRGKRZSA-N -1 0 347.827 3.052 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)OCCCc2ccccc2)cc1C#N ZINC001354423399 1392143276 /nfs/dbraw/zinc/14/32/76/1392143276.db2.gz VWNYHLLZFKDISV-UHFFFAOYSA-N -1 0 328.393 3.170 20 30 EGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(C)=C(C)CC ZINC000823910064 1426656237 /nfs/dbraw/zinc/65/62/37/1426656237.db2.gz XCQZUTAMCJVKCY-BUHFOSPRSA-N -1 0 325.416 3.128 20 30 EGEDRM Cc1cccc(C)c1CN=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC000826296592 1428811737 /nfs/dbraw/zinc/81/17/37/1428811737.db2.gz BQKSZXKMRJDQBH-UHFFFAOYSA-N -1 0 339.403 3.215 20 30 EGEDRM N#Cc1c(CSc2ccccc2-c2nn[n-]n2)cn2ccccc12 ZINC000822819277 1429065186 /nfs/dbraw/zinc/06/51/86/1429065186.db2.gz NYAMMVAMXYKOKW-UHFFFAOYSA-N -1 0 332.392 3.283 20 30 EGEDRM Cc1cc(CN=Nc2oc(C(C)C)nc2-c2nn[n-]n2)c(C)s1 ZINC000822198646 1429191217 /nfs/dbraw/zinc/19/12/17/1429191217.db2.gz DHRVWCFRAMGWGE-UHFFFAOYSA-N -1 0 331.405 3.102 20 30 EGEDRM CC(Cc1cccs1)N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC000736066824 1423735134 /nfs/dbraw/zinc/73/51/34/1423735134.db2.gz QSPGHGMYAVHESR-UHFFFAOYSA-N -1 0 345.432 3.244 20 30 EGEDRM C#CC[C@H](NC(=O)Nc1cccc(-c2nn[n-]n2)c1C)c1ccccc1 ZINC000823838670 1429671650 /nfs/dbraw/zinc/67/16/50/1429671650.db2.gz SRIWYEAENPYAFM-KRWDZBQOSA-N -1 0 346.394 3.061 20 30 EGEDRM Cc1nn(C(C)C)c(C)c1C(=O)C=Cc1ccc(-c2nn[n-]n2)s1 ZINC000822486331 1424601137 /nfs/dbraw/zinc/60/11/37/1424601137.db2.gz GQISXMANGSUZAZ-ALCCZGGFSA-N -1 0 342.428 3.219 20 30 EGEDRM CC1(C)CCC(CSc2nc(N)c(-c3nn[n-]n3)cc2C#N)CC1 ZINC000824803064 1425003951 /nfs/dbraw/zinc/00/39/51/1425003951.db2.gz SETUCSPVPQIXLI-UHFFFAOYSA-N -1 0 343.460 3.024 20 30 EGEDRM Cc1ccc2c(c1)OCCC(=Cc1ccc(-c3nn[n-]n3)s1)C2=O ZINC000822279570 1425482920 /nfs/dbraw/zinc/48/29/20/1425482920.db2.gz AZBBZXVBLWPUHD-PKNBQFBNSA-N -1 0 338.392 3.285 20 30 EGEDRM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1c[nH]c2ccccc12 ZINC000822921919 1426579312 /nfs/dbraw/zinc/57/93/12/1426579312.db2.gz AGAIRCHWBFYFFI-FPLPWBNLSA-N -1 0 333.326 3.383 20 30 EGEDRM C=C(C)COc1cccc(NC(=O)c2cc(-c3nn[n-]n3)cs2)c1 ZINC000819722676 1426732701 /nfs/dbraw/zinc/73/27/01/1426732701.db2.gz NUCUMMLIRYABEK-UHFFFAOYSA-N -1 0 341.396 3.135 20 30 EGEDRM C[C@@H](OC(=O)C=Cc1ccccc1C#N)c1cccc(-c2nn[n-]n2)c1 ZINC000736153709 1426759467 /nfs/dbraw/zinc/75/94/67/1426759467.db2.gz RZBXEACHMIBAAB-ASCRHOAZSA-N -1 0 345.362 3.056 20 30 EGEDRM CC1(C)C(N=Nc2ccc(-c3nn[n-]n3)c(Cl)c2)[C@@H]2CCCO[C@@H]21 ZINC000824783360 1430190970 /nfs/dbraw/zinc/19/09/70/1430190970.db2.gz FXJVINANKINRIB-FZMZJTMJSA-N -1 0 346.822 3.123 20 30 EGEDRM C=C(C)C[C@@H](C)C(=O)N(C)CCN(C(=O)c1ccccc1O)C(C)C ZINC001756690966 1441041382 /nfs/dbraw/zinc/04/13/82/1441041382.db2.gz BMLFMMXMAXAGDQ-MRXNPFEDSA-N -1 0 346.471 3.304 20 30 EGEDRM Cc1cc(C)c2c(c1)C(=O)C(=Cc1ccccc1-c1nn[n-]n1)CO2 ZINC000826263601 1441728592 /nfs/dbraw/zinc/72/85/92/1441728592.db2.gz JLGIUESKMFMCIA-NTEUORMPSA-N -1 0 332.363 3.142 20 30 EGEDRM Cc1c(Cl)cnc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1C#N ZINC000826238605 1441773314 /nfs/dbraw/zinc/77/33/14/1441773314.db2.gz KQIXHPFUWJDQMV-JTQLQIEISA-N -1 0 339.790 3.268 20 30 EGEDRM C[C@H]1C(=NNCc2ccc(-c3nn[n-]n3)cc2)C[C@@H]1c1ccccc1 ZINC000820642336 1441787877 /nfs/dbraw/zinc/78/78/77/1441787877.db2.gz IAHRFRYDQCMHJE-DYVFJYSZSA-N -1 0 332.411 3.136 20 30 EGEDRM N#Cc1cccc(CSCc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000737730469 1443232495 /nfs/dbraw/zinc/23/24/95/1443232495.db2.gz LGWPLVXJCGPNKR-UHFFFAOYSA-N -1 0 325.372 3.311 20 30 EGEDRM Cc1ccc(C(C)N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)c(C)c1 ZINC000823953764 1443974862 /nfs/dbraw/zinc/97/48/62/1443974862.db2.gz PAFHMOKGJQYPIK-UHFFFAOYSA-N -1 0 341.806 3.368 20 30 EGEDRM C#CCN(C(=O)NCCC(C)(C)C(=O)[O-])[C@H]1CCCc2ccccc21 ZINC001602675738 971253185 /nfs/dbraw/zinc/25/31/85/971253185.db2.gz NDRLVOVONVOUKH-KRWDZBQOSA-N -1 0 342.439 3.210 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)C(C)(C)c1ccc(-c2ccccc2)cc1 ZINC001602678880 971258233 /nfs/dbraw/zinc/25/82/33/971258233.db2.gz ILTHJNWZGBDCSJ-UHFFFAOYSA-N -1 0 335.403 3.178 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC001602781415 971524861 /nfs/dbraw/zinc/52/48/61/971524861.db2.gz ZWGNUDLHQDKWDQ-JCKWVBRZSA-N -1 0 348.830 3.487 20 30 EGEDRM O=C([O-])c1ccccc1C1CCN(C(=O)C#Cc2ccccc2)CC1 ZINC001595252084 949566255 /nfs/dbraw/zinc/56/62/55/949566255.db2.gz YPSWKNALFDQSOG-UHFFFAOYSA-N -1 0 333.387 3.143 20 30 EGEDRM CCCC[C@@H](ON=C(C)C)C(=O)NC1(CC(=O)[O-])CCCCC1 ZINC001589639963 949677959 /nfs/dbraw/zinc/67/79/59/949677959.db2.gz QRGWSMLWHJOADD-CQSZACIVSA-N -1 0 326.437 3.251 20 30 EGEDRM CCC(CC)(CNc1nccc(Oc2cccc(C#N)c2)n1)C(=O)[O-] ZINC001589506901 955038040 /nfs/dbraw/zinc/03/80/40/955038040.db2.gz BFVJTSHCZLHGKO-UHFFFAOYSA-N -1 0 340.383 3.443 20 30 EGEDRM C=C(C)[C@@H](NC(=O)c1ccc(C(=O)[O-])nc1)c1ccc(F)c(F)c1 ZINC000776398711 955326779 /nfs/dbraw/zinc/32/67/79/955326779.db2.gz KAJJHDWGPIRWAW-OAHLLOKOSA-N -1 0 332.306 3.105 20 30 EGEDRM C[C@H](NC(=O)[C@@H](C#N)CCc1ccccc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589086704 955907313 /nfs/dbraw/zinc/90/73/13/955907313.db2.gz SQASIANXLXFBKQ-PQEBFOHHSA-N -1 0 342.439 3.011 20 30 EGEDRM N#CC1(c2ccc(C(=O)NC3(CC(=O)[O-])CCCCC3)cc2)CC1 ZINC001594601580 956136430 /nfs/dbraw/zinc/13/64/30/956136430.db2.gz DULXNKAJWWDAIE-UHFFFAOYSA-N -1 0 326.396 3.149 20 30 EGEDRM N#Cc1ccc(C2CCN(C(=O)[C@@H](C(=O)[O-])C3CCCC3)CC2)cc1 ZINC001594618438 956264221 /nfs/dbraw/zinc/26/42/21/956264221.db2.gz ORZCQAIVWDGCAE-SFHVURJKSA-N -1 0 340.423 3.155 20 30 EGEDRM N#Cc1ccc(C2(NC(=O)/C=C\c3ccc(C(=O)[O-])o3)CCC2)cc1 ZINC001594618581 956265616 /nfs/dbraw/zinc/26/56/16/956265616.db2.gz TVKMCFZHXGBFEU-CLFYSBASSA-N -1 0 336.347 3.058 20 30 EGEDRM N#Cc1cnc(NCc2ccccc2C(=O)[O-])c(Br)c1 ZINC001594632802 956354039 /nfs/dbraw/zinc/35/40/39/956354039.db2.gz CCSUXLUCCMIOSE-UHFFFAOYSA-N -1 0 332.157 3.026 20 30 EGEDRM O=C([O-])c1ccsc1NC(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC001594667849 956595514 /nfs/dbraw/zinc/59/55/14/956595514.db2.gz OSHVNNUFIXYKLX-UHFFFAOYSA-N -1 0 339.294 3.455 20 30 EGEDRM C#C[C@H](NC(=O)Cc1ccccc1C(=O)[O-])c1ccc(Cl)cc1 ZINC001588372099 957964586 /nfs/dbraw/zinc/96/45/86/957964586.db2.gz DBFRYVYDFSNBOJ-INIZCTEOSA-N -1 0 327.767 3.071 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)CCCc1ccc2c(c1)-c1ccccc1C2 ZINC001588402428 958091071 /nfs/dbraw/zinc/09/10/71/958091071.db2.gz TXGUNSQACXWCNM-UHFFFAOYSA-N -1 0 347.414 3.127 20 30 EGEDRM CC(C)C[C@H](CNC(=O)N(Cc1ccc(C#N)cc1)C(C)C)C(=O)[O-] ZINC001352506537 958125800 /nfs/dbraw/zinc/12/58/00/958125800.db2.gz OSDSTZNGEUILAW-QGZVFWFLSA-N -1 0 345.443 3.225 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)N[C@@H]1CCc2ccc(-c3ccccc3)cc21 ZINC001588409366 958127948 /nfs/dbraw/zinc/12/79/48/958127948.db2.gz GEMWIMMQELXALW-LJQANCHMSA-N -1 0 348.402 3.070 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)c1ccc(-c2ccc(C)c(C)c2)cc1F ZINC001588415995 958161115 /nfs/dbraw/zinc/16/11/15/958161115.db2.gz DZIDXHLLDBLDEX-UHFFFAOYSA-N -1 0 339.366 3.270 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)Nc1nc(C2CCCCC2)c(C)s1 ZINC001588417402 958172170 /nfs/dbraw/zinc/17/21/70/958172170.db2.gz MJBURFULPRBPJC-UHFFFAOYSA-N -1 0 335.429 3.051 20 30 EGEDRM Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H](C)C(=O)[O-] ZINC001594328189 958191656 /nfs/dbraw/zinc/19/16/56/958191656.db2.gz JOZOVHQFYGGCGK-ZDUSSCGKSA-N -1 0 338.363 3.105 20 30 EGEDRM C=CC[C@@H](Cc1ccccc1)NC(=O)NCc1ccccc1C(=O)[O-] ZINC001588452824 958428749 /nfs/dbraw/zinc/42/87/49/958428749.db2.gz KJPRVJRNPUDOAX-KRWDZBQOSA-N -1 0 338.407 3.371 20 30 EGEDRM C=CC[C@@H](Cc1ccccc1)NC(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001588453110 958431741 /nfs/dbraw/zinc/43/17/41/958431741.db2.gz NQFGIZJAUZVIRB-YDZSZYSISA-N -1 0 325.364 3.295 20 30 EGEDRM CC(C)(C)c1ccc2c(c1)CCCN2C(=O)[C@](C)(C#N)CC(=O)[O-] ZINC001588539049 958949958 /nfs/dbraw/zinc/94/99/58/958949958.db2.gz VFGGOHFNAUUQOS-IBGZPJMESA-N -1 0 328.412 3.268 20 30 EGEDRM O=C([O-])c1cccc(/C=C/C(=O)c2ccc(N3CCCC3=O)cc2)c1 ZINC000158300392 959086573 /nfs/dbraw/zinc/08/65/73/959086573.db2.gz FAXLZHYJASKSRI-IZZDOVSWSA-N -1 0 335.359 3.408 20 30 EGEDRM Cc1c2cc(C#N)ccc2sc1C(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC001594256473 959650298 /nfs/dbraw/zinc/65/02/98/959650298.db2.gz DVUQRRUIBQHKDW-CYBMUJFWSA-N -1 0 328.393 3.161 20 30 EGEDRM Cc1c2cc(C#N)ccc2sc1C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001594258938 959674302 /nfs/dbraw/zinc/67/43/02/959674302.db2.gz UMJYCAKFKFPLCX-UHFFFAOYSA-N -1 0 337.360 3.427 20 30 EGEDRM CCCC[C@@H](ON=C(C)C)C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001573841525 961082618 /nfs/dbraw/zinc/08/26/18/961082618.db2.gz UPUXCMXTYKYCMM-VQIMIIECSA-N -1 0 348.443 3.116 20 30 EGEDRM CC(C)(C)Oc1ccc(NC(=O)[C@H](C(=O)[O-])C(C)(C)C)cc1C#N ZINC001588734345 961119358 /nfs/dbraw/zinc/11/93/58/961119358.db2.gz KIDQKEYRTUBTSD-CQSZACIVSA-N -1 0 332.400 3.421 20 30 EGEDRM CC[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)C(=O)[O-] ZINC001573942852 961619543 /nfs/dbraw/zinc/61/95/43/961619543.db2.gz FXCPRCMACIOWBY-INIZCTEOSA-N -1 0 339.351 3.335 20 30 EGEDRM C#CCCOc1ccc(C(=O)Nc2cc(C)c(C(=O)[O-])c(C)n2)cc1 ZINC001573302223 962647505 /nfs/dbraw/zinc/64/75/05/962647505.db2.gz SATMRSACOSESOF-UHFFFAOYSA-N -1 0 338.363 3.051 20 30 EGEDRM C#Cc1ccc(NC(=O)N[C@@H](C)[C@@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC001573313142 962726814 /nfs/dbraw/zinc/72/68/14/962726814.db2.gz CDDZGKOJXQSZRV-KBXCAEBGSA-N -1 0 336.391 3.121 20 30 EGEDRM C#Cc1ccc(NC(=O)N[C@@H](C)c2ccc(OCC(=O)[O-])cc2)cc1 ZINC001573313409 962729879 /nfs/dbraw/zinc/72/98/79/962729879.db2.gz HEIDCWLYALHPKU-ZDUSSCGKSA-N -1 0 338.363 3.014 20 30 EGEDRM C#C[C@@H](NC(=O)Cc1ccccc1C(=O)[O-])c1ccc(Cl)cc1F ZINC001573318309 962744591 /nfs/dbraw/zinc/74/45/91/962744591.db2.gz NIXNDWGXGZASND-MRXNPFEDSA-N -1 0 345.757 3.211 20 30 EGEDRM C=C(C)[C@H](NC(=O)Cc1ccc(C(=O)[O-])nc1)c1ccc(F)c(F)c1 ZINC001573322019 962764437 /nfs/dbraw/zinc/76/44/37/962764437.db2.gz TXIDRXFPMXBVGQ-KRWDZBQOSA-N -1 0 346.333 3.034 20 30 EGEDRM C=C(C)CCC(=O)N[C@@](C)(C(=O)[O-])c1cccc(Br)c1 ZINC001517350538 962771078 /nfs/dbraw/zinc/77/10/78/962771078.db2.gz NSDUWQRVJJFDJZ-OAHLLOKOSA-N -1 0 340.217 3.221 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)c1cccc(Oc2ccncc2)c1)C(=O)[O-] ZINC001573324358 962783287 /nfs/dbraw/zinc/78/32/87/962783287.db2.gz PWNZHJWPAPCYFN-MRXNPFEDSA-N -1 0 326.352 3.023 20 30 EGEDRM C=C(C)C[C@H](NC(=O)c1csc(-c2ccc(F)cc2)n1)C(=O)[O-] ZINC001573324407 962785174 /nfs/dbraw/zinc/78/51/74/962785174.db2.gz SFWYGNSCMNXGCU-LBPRGKRZSA-N -1 0 334.372 3.098 20 30 EGEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)CSCCC(=O)[O-] ZINC001588989781 962803292 /nfs/dbraw/zinc/80/32/92/962803292.db2.gz ZVGJNNFIEVAYHV-LLVKDONJSA-N -1 0 338.454 3.227 20 30 EGEDRM C=CC1(CC(=O)N2CCC[C@](O)(C3(C(=O)[O-])CCC3)C2)CCCCC1 ZINC001573350612 962972050 /nfs/dbraw/zinc/97/20/50/962972050.db2.gz KQEZAVGPQUKSBK-HXUWFJFHSA-N -1 0 349.471 3.121 20 30 EGEDRM C=CCCC[C@@H](NC(=O)C1(c2ccc(F)cc2F)CCC1)C(=O)[O-] ZINC001573358021 963025039 /nfs/dbraw/zinc/02/50/39/963025039.db2.gz VZHIEWCTYCEARL-OAHLLOKOSA-N -1 0 337.366 3.312 20 30 EGEDRM C=CCN(CC1CCCCC1)C(=O)NCc1cc(C(=O)[O-])c(C)n1C ZINC001573360411 963036666 /nfs/dbraw/zinc/03/66/66/963036666.db2.gz OCHOCCLCJGVCQH-UHFFFAOYSA-N -1 0 347.459 3.310 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1cnn(-c2cccc(C)c2)c1C)C(=O)[O-] ZINC001573366622 963061506 /nfs/dbraw/zinc/06/15/06/963061506.db2.gz NTYLKQUJLLWVHR-KRWDZBQOSA-N -1 0 341.411 3.028 20 30 EGEDRM C=CCO[C@H]1CCN([C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)C1 ZINC001573368958 963089397 /nfs/dbraw/zinc/08/93/97/963089397.db2.gz MGXIWGWYLWMALG-UONOGXRCSA-N -1 0 329.318 3.108 20 30 EGEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001573369174 963093994 /nfs/dbraw/zinc/09/39/94/963093994.db2.gz XKGIJICYFFGXHC-PKNBQFBNSA-N -1 0 341.363 3.214 20 30 EGEDRM C#CCCCC(=O)Nc1cc(C(=O)[O-])c(F)cc1Br ZINC001588440250 964034888 /nfs/dbraw/zinc/03/48/88/964034888.db2.gz OWTXXEUCVKZJSW-UHFFFAOYSA-N -1 0 328.137 3.028 20 30 EGEDRM C#CCCCCC(=O)N[C@@H](C[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC001588440516 964039197 /nfs/dbraw/zinc/03/91/97/964039197.db2.gz YOCRVXDXBOONAR-AEFFLSMTSA-N -1 0 327.424 3.260 20 30 EGEDRM C[C@@H](C(=O)[O-])C(=O)Nc1ccc(Sc2ccccc2C#N)cc1 ZINC001573591136 969821040 /nfs/dbraw/zinc/82/10/40/969821040.db2.gz SCKPAPBZTOCMEY-LLVKDONJSA-N -1 0 326.377 3.369 20 30 EGEDRM C=CCOc1cccc(NC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)c1 ZINC001609636915 970431474 /nfs/dbraw/zinc/43/14/74/970431474.db2.gz UWHCRMBOPZPNJG-AWEZNQCLSA-N -1 0 332.400 3.360 20 30 EGEDRM C=CC[C@H](CC)NS(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC000393756109 972636737 /nfs/dbraw/zinc/63/67/37/972636737.db2.gz GBDXFOPKIXWZRF-JTQLQIEISA-N -1 0 339.438 3.233 20 30 EGEDRM Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC001605397291 973373402 /nfs/dbraw/zinc/37/34/02/973373402.db2.gz DTVJMBHJXPFAFV-MEDUHNTESA-N -1 0 337.445 3.099 20 30 EGEDRM CC[C@H](CNC(=O)Nc1ccccc1SC[C@@H](C)C#N)C(=O)[O-] ZINC001603565944 973689379 /nfs/dbraw/zinc/68/93/79/973689379.db2.gz QMNZVABKAOUQLH-NWDGAFQWSA-N -1 0 335.429 3.171 20 30 EGEDRM N#Cc1cc(C(=O)N2C[C@H](CCC(=O)[O-])Cc3ccccc32)cs1 ZINC001605591900 973890294 /nfs/dbraw/zinc/89/02/94/973890294.db2.gz HNXGCAOTSYIVPE-GFCCVEGCSA-N -1 0 340.404 3.304 20 30 EGEDRM N#Cc1ccc(CN(C(=O)c2coc(/C=C/C(=O)[O-])c2)C2CC2)cc1 ZINC001605601955 973909287 /nfs/dbraw/zinc/90/92/87/973909287.db2.gz HMYNBWIWMOGSCI-BQYQJAHWSA-N -1 0 336.347 3.054 20 30 EGEDRM N#Cc1ccc(N(Cc2ccccc2)C(=O)CCCCC(=O)[O-])nc1 ZINC001605611074 973913717 /nfs/dbraw/zinc/91/37/17/973913717.db2.gz BOOAHOQZJVFDIB-UHFFFAOYSA-N -1 0 337.379 3.131 20 30 EGEDRM CCCN(C(=O)c1coc(/C=C/C(=O)[O-])c1)c1snc(C)c1C#N ZINC001603654725 974023133 /nfs/dbraw/zinc/02/31/33/974023133.db2.gz DDPKQKCOPDHGHC-SNAWJCMRSA-N -1 0 345.380 3.071 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1NN=Cc1cnc([C@H]2CCCO2)s1 ZINC000756905743 978702013 /nfs/dbraw/zinc/70/20/13/978702013.db2.gz HYCNLXDFKQKVJL-CYBMUJFWSA-N -1 0 347.396 3.147 20 30 EGEDRM O=C([O-])c1cccc(NN=Cc2ncc(Br)s2)c1 ZINC000814687686 978872636 /nfs/dbraw/zinc/87/26/36/978872636.db2.gz RCFWMAHUPAHJIC-UHFFFAOYSA-N -1 0 326.175 3.050 20 30 EGEDRM Cc1cccc(C)c1NC(=S)NN=C1CC[C@@H](CC(=O)[O-])[C@@H]1C ZINC000814706939 978875167 /nfs/dbraw/zinc/87/51/67/978875167.db2.gz HGUZHDFCEZVMDU-STQMWFEESA-N -1 0 333.457 3.467 20 30 EGEDRM Cc1ccc(NC(=S)NN=C2CC[C@@H](CC(=O)[O-])[C@@H]2C)cc1C ZINC000814713375 978875243 /nfs/dbraw/zinc/87/52/43/978875243.db2.gz MMYNDHTUYMMXDI-STQMWFEESA-N -1 0 333.457 3.467 20 30 EGEDRM COc1ccccc1NC(=S)NN=C(C)c1cc(C(=O)[O-])cs1 ZINC000814715711 978876223 /nfs/dbraw/zinc/87/62/23/978876223.db2.gz HUXSYLIZDXZLGX-UHFFFAOYSA-N -1 0 349.437 3.166 20 30 EGEDRM CCCCCCCS(=O)(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000829865219 979008821 /nfs/dbraw/zinc/00/88/21/979008821.db2.gz JGIRMYKWSXCFLX-UHFFFAOYSA-N -1 0 327.446 3.117 20 30 EGEDRM CC[C@@H](CC(F)(F)F)C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001595038004 979206801 /nfs/dbraw/zinc/20/68/01/979206801.db2.gz BRSJBCJRDGCRNL-JQWIXIFHSA-N -1 0 329.274 3.206 20 30 EGEDRM C=CCOCCCC(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC000841502926 979305779 /nfs/dbraw/zinc/30/57/79/979305779.db2.gz MKKSPRFIFBJNOE-UHFFFAOYSA-N -1 0 346.427 3.296 20 30 EGEDRM C[C@](COC(=O)/C=C\c1ccccc1C#N)(C(=O)[O-])c1ccccc1 ZINC001592765270 979369544 /nfs/dbraw/zinc/36/95/44/979369544.db2.gz QKHZZYFEILPPFS-ZCPJJFRWSA-N -1 0 335.359 3.157 20 30 EGEDRM CCC(CC)CN(CCC#N)C(=O)CCc1ccccc1C(=O)[O-] ZINC001595111807 979460733 /nfs/dbraw/zinc/46/07/33/979460733.db2.gz XEWBPGLLEFWMFZ-UHFFFAOYSA-N -1 0 330.428 3.496 20 30 EGEDRM CC(C)[C@H](C#N)Oc1ccc(-c2cc(C(=O)[O-])ccc2CO)cc1 ZINC000849477303 979500831 /nfs/dbraw/zinc/50/08/31/979500831.db2.gz VQSSXENBGBNCNF-SFHVURJKSA-N -1 0 325.364 3.471 20 30 EGEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC001592833311 979570002 /nfs/dbraw/zinc/57/00/02/979570002.db2.gz FEOVVYDIBWEOMM-ZDUSSCGKSA-N -1 0 334.375 3.024 20 30 EGEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001592834249 979574441 /nfs/dbraw/zinc/57/44/41/979574441.db2.gz NVUPTMCJNFVMOV-CQSZACIVSA-N -1 0 348.402 3.020 20 30 EGEDRM CC[C@@](CNC(=O)CC1(C#N)CCCCC1)(C(=O)[O-])c1ccccc1 ZINC001595140286 979600020 /nfs/dbraw/zinc/60/00/20/979600020.db2.gz KPXGOPBLLPKFBP-FQEVSTJZSA-N -1 0 342.439 3.399 20 30 EGEDRM C=C(C)C[C@H](NC(=O)c1ccc(OC(F)(F)F)c(C)c1)C(=O)[O-] ZINC000864187787 979835297 /nfs/dbraw/zinc/83/52/97/979835297.db2.gz OOSJPIKHTUYVAM-NSHDSACASA-N -1 0 331.290 3.043 20 30 EGEDRM Cc1nn(C)c2nc(Cl)cc(N=NC3CC[C@@H](CC(=O)[O-])[C@@H]3C)c12 ZINC000872423050 980074738 /nfs/dbraw/zinc/07/47/38/980074738.db2.gz ZOOBZINIVDRYKF-WPRPVWTQSA-N -1 0 349.822 3.219 20 30 EGEDRM C=CCn1ncc2ccc(NC(=O)NC[C@H](CC(C)C)C(=O)[O-])cc21 ZINC000899317073 980227741 /nfs/dbraw/zinc/22/77/41/980227741.db2.gz JBZARKIWWWMYLM-AWEZNQCLSA-N -1 0 344.415 3.091 20 30 EGEDRM C=CCCC[C@@H](C(=O)NCC1(C(=O)[O-])CCOCC1)c1ccccc1 ZINC000901702689 980457230 /nfs/dbraw/zinc/45/72/30/980457230.db2.gz IBGQTCZXJPBISZ-QGZVFWFLSA-N -1 0 345.439 3.124 20 30 EGEDRM N#CCCC[C@H](NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000905115923 981089265 /nfs/dbraw/zinc/08/92/65/981089265.db2.gz SAEDHVAVBBQBSI-IKGGRYGDSA-N -1 0 328.412 3.429 20 30 EGEDRM C=C[C@](C)(CC)C(=O)NC[C@H](Cc1ccc(OCC)cc1)C(=O)[O-] ZINC000909169280 981430597 /nfs/dbraw/zinc/43/05/97/981430597.db2.gz CCNYOUTYXXYKGW-HNAYVOBHSA-N -1 0 333.428 3.047 20 30 EGEDRM C=C1CCC(C(=O)N[C@H](CC(=O)[O-])c2ccc(OC)cc2OC)CC1 ZINC000909367433 981473638 /nfs/dbraw/zinc/47/36/38/981473638.db2.gz DTVYZOVELYKSDV-MRXNPFEDSA-N -1 0 347.411 3.082 20 30 EGEDRM CCCC[C@H](ON=C(C)C)C(=O)N[C@@](CC)(C(=O)[O-])c1ccccc1 ZINC001595651782 982025803 /nfs/dbraw/zinc/02/58/03/982025803.db2.gz KIWSBRBTCCKXCM-QFBILLFUSA-N -1 0 348.443 3.464 20 30 EGEDRM C=CCCC[C@H](NC(=O)[C@H](C)Cc1cncc2ccccc21)C(=O)[O-] ZINC000910921616 982165380 /nfs/dbraw/zinc/16/53/80/982165380.db2.gz DBBCBLYUTXRHAE-KDOFPFPSSA-N -1 0 340.423 3.339 20 30 EGEDRM CCCCCCCCC(=O)N[C@@H]1CCOC2(CC(C(=O)[O-])C2)C1 ZINC001595704992 982281553 /nfs/dbraw/zinc/28/15/53/982281553.db2.gz MMZGXEDGQSFPSS-SWKXRBFHSA-N -1 0 325.449 3.266 20 30 EGEDRM N#C[C@@]1(C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)CC12CCCC2 ZINC000923066730 982704718 /nfs/dbraw/zinc/70/47/18/982704718.db2.gz NMSDGWYUNZQPCY-LJQANCHMSA-N -1 0 342.395 3.343 20 30 EGEDRM C#C[C@H](NC(=O)NCc1ccc(C(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC001573463951 983042587 /nfs/dbraw/zinc/04/25/87/983042587.db2.gz SUAUEAQOMKMNOP-INIZCTEOSA-N -1 0 342.782 3.212 20 30 EGEDRM C#C[C@@H](NC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-])C(C)(C)C ZINC001588372304 983329958 /nfs/dbraw/zinc/32/99/58/983329958.db2.gz HUAQRXFBIGUUGZ-CABCVRRESA-N -1 0 330.428 3.186 20 30 EGEDRM C#C[C@@H](NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-])c1ccc(Cl)cc1F ZINC001588374112 983341414 /nfs/dbraw/zinc/34/14/14/983341414.db2.gz ORULSHAPIJITCI-YWPYICTPSA-N -1 0 337.778 3.161 20 30 EGEDRM C#C[C@H](NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-])c1ccc(Cl)cc1F ZINC001588374113 983341622 /nfs/dbraw/zinc/34/16/22/983341622.db2.gz ORULSHAPIJITCI-ZOWXZIJZSA-N -1 0 337.778 3.161 20 30 EGEDRM C#C[C@@H](NC(=O)Nc1ccc(C(=O)[O-])nc1)c1ccc(Cl)cc1F ZINC001588374366 983343489 /nfs/dbraw/zinc/34/34/89/983343489.db2.gz VUIFQDMCPGHKFC-CYBMUJFWSA-N -1 0 347.733 3.068 20 30 EGEDRM C#CC[C@H](NC(=O)[C@@H](C)Sc1cc(Cl)ccc1Cl)C(=O)[O-] ZINC001588398305 983411800 /nfs/dbraw/zinc/41/18/00/983411800.db2.gz GTJXVIXVUCLUPZ-KCJUWKMLSA-N -1 0 346.235 3.067 20 30 EGEDRM C#CCCOc1ccc(C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)cc1 ZINC001588455044 983478336 /nfs/dbraw/zinc/47/83/36/983478336.db2.gz AYVBWHANCCTVIC-MRXNPFEDSA-N -1 0 349.386 3.307 20 30 EGEDRM C#Cc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc3ccccc3c2)nc1 ZINC001588516357 983560863 /nfs/dbraw/zinc/56/08/63/983560863.db2.gz INBZQXMOIZWFBA-IBGZPJMESA-N -1 0 344.370 3.162 20 30 EGEDRM C=C(C)[C@@H](CC(=O)N1CCCc2c(C(=O)[O-])ccc(C)c21)OCC ZINC001588530236 983583977 /nfs/dbraw/zinc/58/39/77/983583977.db2.gz WKTNQIMHIFYMJY-MRXNPFEDSA-N -1 0 331.412 3.344 20 30 EGEDRM C=C(C)[C@H](CC(=O)Oc1ccc(/C=C\C(=O)[O-])cc1OC)OCC ZINC001588535619 983589967 /nfs/dbraw/zinc/58/99/67/983589967.db2.gz PDPFEJKVOOHVJG-VIHMKRCTSA-N -1 0 334.368 3.070 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)[C@H](C)CC(=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC001588537145 983598057 /nfs/dbraw/zinc/59/80/57/983598057.db2.gz JFBBYIRMENIXGD-BXUZGUMPSA-N -1 0 337.803 3.085 20 30 EGEDRM C=C(C)C[C@H](Nc1ncnc2ccc(Br)cc21)C(=O)[O-] ZINC001588554438 983630457 /nfs/dbraw/zinc/63/04/57/983630457.db2.gz HCBSHEVEPROUHE-LBPRGKRZSA-N -1 0 336.189 3.224 20 30 EGEDRM C=C(C)Cn1c(CC(C)C)nnc1N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001588598315 983682857 /nfs/dbraw/zinc/68/28/57/983682857.db2.gz YQMKMMKKCCHIOQ-HNNXBMFYSA-N -1 0 334.464 3.134 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC001588607157 983700244 /nfs/dbraw/zinc/70/02/44/983700244.db2.gz UWRHGJYHBHAWJV-FUHWJXTLSA-N -1 0 331.412 3.034 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H](CC(C)C)c1nc2ccccc2[nH]1 ZINC001588621504 983719624 /nfs/dbraw/zinc/71/96/24/983719624.db2.gz FNFXLEINDNLGBX-HNNXBMFYSA-N -1 0 329.400 3.187 20 30 EGEDRM C=C(CNC(=O)NCCCCC1(C(=O)[O-])CCC1)c1ccccc1 ZINC001588637421 983759755 /nfs/dbraw/zinc/75/97/55/983759755.db2.gz OFTNWXBYTIXQHJ-UHFFFAOYSA-N -1 0 330.428 3.424 20 30 EGEDRM C=CC(C)(C)CCNS(=O)(=O)c1ccc(C(=O)[O-])c2ccccc21 ZINC001588676765 983830884 /nfs/dbraw/zinc/83/08/84/983830884.db2.gz ABNDOHNIDDSLGL-UHFFFAOYSA-N -1 0 347.436 3.419 20 30 EGEDRM C=C[C@](C)(CC)C(=O)N[C@H](CC(=O)[O-])Cc1cc(F)c(F)cc1F ZINC001588681281 983839070 /nfs/dbraw/zinc/83/90/70/983839070.db2.gz VFIPFQKNOORVDG-APPDUMDISA-N -1 0 343.345 3.208 20 30 EGEDRM C=C[C@@H](CC(=O)OCC(=O)c1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC001588690629 983875289 /nfs/dbraw/zinc/87/52/89/983875289.db2.gz GAPPXPVDTGKZES-AWEZNQCLSA-N -1 0 338.359 3.471 20 30 EGEDRM C=C[C@@H](CC)CC(=O)N1CCN(c2ccc(C(=O)[O-])cc2)C[C@@H]1C ZINC001588690820 983876945 /nfs/dbraw/zinc/87/69/45/983876945.db2.gz MCCNCLFEQZGZJH-GJZGRUSLSA-N -1 0 330.428 3.024 20 30 EGEDRM C=C[C@H](CC)CC(=O)N[C@H](C(=O)[O-])c1ccc(Br)cc1 ZINC001588691280 983879300 /nfs/dbraw/zinc/87/93/00/983879300.db2.gz WJFSQQLHRNIEFY-YGRLFVJLSA-N -1 0 340.217 3.293 20 30 EGEDRM C=CC[C@H](Sc1ncnc2c1cnn2-c1ccc(F)cc1)C(=O)[O-] ZINC001588758695 984107476 /nfs/dbraw/zinc/10/74/76/984107476.db2.gz IAFIIIDDRPKOPM-ZDUSSCGKSA-N -1 0 344.371 3.076 20 30 EGEDRM C=CC[C@@H]1CCN(C(=O)NCc2ccc(OCCCC(=O)[O-])cc2)C1 ZINC001588772302 984142564 /nfs/dbraw/zinc/14/25/64/984142564.db2.gz CONNADFWPNFESR-MRXNPFEDSA-N -1 0 346.427 3.038 20 30 EGEDRM C=CC[C@@H]1N(S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)CCCC1(C)C ZINC001588774415 984152122 /nfs/dbraw/zinc/15/21/22/984152122.db2.gz YCBZWNRGGQZIEK-LBPRGKRZSA-N -1 0 341.429 3.042 20 30 EGEDRM C=CCCC(C)(C)CNS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F ZINC001588777746 984157327 /nfs/dbraw/zinc/15/73/27/984157327.db2.gz IJPBJQMSNXVNPQ-UHFFFAOYSA-N -1 0 343.420 3.103 20 30 EGEDRM C=CCCC[C@@H](NC(=O)CCC(=O)c1cc(C)sc1C)C(=O)[O-] ZINC001588788402 984189601 /nfs/dbraw/zinc/18/96/01/984189601.db2.gz AWKULVZXMMYNHF-CQSZACIVSA-N -1 0 337.441 3.254 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1cc(Br)ccc1C)C(=O)[O-] ZINC001588792618 984211205 /nfs/dbraw/zinc/21/12/05/984211205.db2.gz KNTWSJGFFSTTGI-ZDUSSCGKSA-N -1 0 340.217 3.297 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1cccc(Oc2nccs2)c1)C(=O)[O-] ZINC001588792938 984214161 /nfs/dbraw/zinc/21/41/61/984214161.db2.gz HMSBIFRTPBHDSC-CQSZACIVSA-N -1 0 346.408 3.475 20 30 EGEDRM C=CCCCCn1c(CC(C)C)nnc1N1CCC(C(=O)[O-])CC1 ZINC001588802737 984250531 /nfs/dbraw/zinc/25/05/31/984250531.db2.gz WKQBUZQIOFWOJZ-UHFFFAOYSA-N -1 0 334.464 3.134 20 30 EGEDRM C=CCCNC(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC001588807157 984257976 /nfs/dbraw/zinc/25/79/76/984257976.db2.gz AGZNKRRIDJWQOO-UHFFFAOYSA-N -1 0 332.278 3.024 20 30 EGEDRM C=CCCn1cc(COc2c(CC(=C)C)cccc2C(=O)[O-])nn1 ZINC001588819800 984279370 /nfs/dbraw/zinc/27/93/70/984279370.db2.gz CICUJQWOHCBEPK-UHFFFAOYSA-N -1 0 327.384 3.250 20 30 EGEDRM C=CCN(CC=C)C(=O)c1ccc(NCc2cc(C(=O)[O-])co2)cc1 ZINC001588825523 984301471 /nfs/dbraw/zinc/30/14/71/984301471.db2.gz SHWVFAFOMOWALP-UHFFFAOYSA-N -1 0 340.379 3.404 20 30 EGEDRM C=CCN(CCc1ccccc1)Cc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001588828727 984309561 /nfs/dbraw/zinc/30/95/61/984309561.db2.gz LGFCOGMBYDQSQM-UHFFFAOYSA-N -1 0 335.407 3.492 20 30 EGEDRM C=CCNc1ncc(C(=O)Nc2ccc(C(=O)[O-])cc2CC)s1 ZINC001588849299 984370303 /nfs/dbraw/zinc/37/03/03/984370303.db2.gz JBARXTCUDWLIKS-UHFFFAOYSA-N -1 0 331.397 3.254 20 30 EGEDRM CCOC(=O)[C@@H]1C/C(=C/c2cc(C(=O)[O-])co2)C(=O)c2ccccc21 ZINC001596568824 984456710 /nfs/dbraw/zinc/45/67/10/984456710.db2.gz OKJBKAZOIRAORS-MRDWYFFCSA-N -1 0 340.331 3.295 20 30 EGEDRM C=CC[S@@](=O)(=NC(=O)c1cccc(C(=O)[O-])c1)c1ccccc1 ZINC001588879113 984456769 /nfs/dbraw/zinc/45/67/69/984456769.db2.gz SLYLGVDFLOIFMC-QHCPKHFHSA-N -1 0 329.377 3.238 20 30 EGEDRM C=CCn1c([C@@H](C)CC)nnc1N1CCc2cccc(C(=O)[O-])c2C1 ZINC001588896863 984505710 /nfs/dbraw/zinc/50/57/10/984505710.db2.gz VCGAGOVKYMTTJL-ZDUSSCGKSA-N -1 0 340.427 3.239 20 30 EGEDRM C=CCn1c(S[C@@H](C(=O)[O-])C(C)(C)C)nnc1-c1cccnc1 ZINC001588905045 984535188 /nfs/dbraw/zinc/53/51/88/984535188.db2.gz NRXNIJHVEZASBL-LBPRGKRZSA-N -1 0 332.429 3.118 20 30 EGEDRM C=CCn1c(SCC2(C(=O)[O-])CC2)nnc1-c1ccccc1OC ZINC001588907141 984538100 /nfs/dbraw/zinc/53/81/00/984538100.db2.gz CGDJNIVYORFIMI-UHFFFAOYSA-N -1 0 345.424 3.097 20 30 EGEDRM C=CCn1c(SC/C(C)=C\C(=O)[O-])nnc1-c1cccc(OC)c1 ZINC001588907788 984540536 /nfs/dbraw/zinc/54/05/36/984540536.db2.gz XIWYQDPTXKUUAS-XFXZXTDPSA-N -1 0 345.424 3.263 20 30 EGEDRM C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001588917865 984567654 /nfs/dbraw/zinc/56/76/54/984567654.db2.gz FOYHRKWEFDPJSP-SJCJKPOMSA-N -1 0 340.379 3.251 20 30 EGEDRM CC(=NNCc1ccc(Br)cc1)c1cc(C(=O)[O-])co1 ZINC001589016938 984999668 /nfs/dbraw/zinc/99/96/68/984999668.db2.gz PQYASFTYWSUNLG-UHFFFAOYSA-N -1 0 337.173 3.254 20 30 EGEDRM CC(=NO[C@H](C)c1nc(C(C)C)no1)c1ccc(OCC(=O)[O-])cc1 ZINC001589017425 985004064 /nfs/dbraw/zinc/00/40/64/985004064.db2.gz NRVMAWXMXQRVAJ-GFCCVEGCSA-N -1 0 347.371 3.158 20 30 EGEDRM CCO[C@@H]1CC(N=Nc2ccc(C(=O)[O-])c(Cl)c2)[C@H]1SC ZINC001596804636 985327284 /nfs/dbraw/zinc/32/72/84/985327284.db2.gz KFQIWJFCVZSCNL-CHWSQXEVSA-N -1 0 328.821 3.347 20 30 EGEDRM Cc1[nH]c(C#N)cc1C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC001599942760 985475967 /nfs/dbraw/zinc/47/59/67/985475967.db2.gz SSWLBNOTBNCZSC-UHFFFAOYSA-N -1 0 343.408 3.155 20 30 EGEDRM Cc1c(C#N)cccc1C(=O)N(Cc1ccccc1)C[C@@H](C)C(=O)[O-] ZINC001599973435 986047688 /nfs/dbraw/zinc/04/76/88/986047688.db2.gz SZYYTKNRZPQNGY-CQSZACIVSA-N -1 0 336.391 3.230 20 30 EGEDRM C[C@@H](C#N)CN(C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1)C1CC1 ZINC001589329913 986168022 /nfs/dbraw/zinc/16/80/22/986168022.db2.gz VZCBWFCXRSEPEA-QMMMGPOBSA-N -1 0 339.754 3.333 20 30 EGEDRM C[C@H](C#N)CN(C)C(=O)Nc1sc2c(c1C(=O)[O-])CCCCC2 ZINC001589330089 986170370 /nfs/dbraw/zinc/17/03/70/986170370.db2.gz YDPJBUMRAOYSBT-SNVBAGLBSA-N -1 0 335.429 3.339 20 30 EGEDRM Cc1c(C(=O)[O-])cc(C=NNc2ccc(Br)cc2)n1C ZINC001599984472 986209781 /nfs/dbraw/zinc/20/97/81/986209781.db2.gz MHSOFLZJMDHBAE-UHFFFAOYSA-N -1 0 336.189 3.240 20 30 EGEDRM CCOc1ccc(C#N)cc1NC(=O)c1ccc(C(=O)[O-])cc1F ZINC001597055859 986536337 /nfs/dbraw/zinc/53/63/37/986536337.db2.gz MDAQGBUIQQKEMR-UHFFFAOYSA-N -1 0 328.299 3.047 20 30 EGEDRM CCOc1ccc(C=NOCc2csc(C(=O)[O-])c2)cc1OC ZINC001597082337 986634616 /nfs/dbraw/zinc/63/46/16/986634616.db2.gz JBSBIYHJLCYTQL-UHFFFAOYSA-N -1 0 335.381 3.404 20 30 EGEDRM CCOc1ccc(NC(=O)N(C)[C@H]2CCC[C@@H]2C#N)c(C(=O)[O-])c1F ZINC001597117899 986795163 /nfs/dbraw/zinc/79/51/63/986795163.db2.gz OSICIGYWAFUAAK-PWSUYJOCSA-N -1 0 349.362 3.079 20 30 EGEDRM C[C@@H](C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc(F)c(F)c1 ZINC001589541101 987252218 /nfs/dbraw/zinc/25/22/18/987252218.db2.gz YMULVYJFCBCDRR-HWPZZCPQSA-N -1 0 345.301 3.309 20 30 EGEDRM CC(C)(C#N)CCCCOC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001589554255 987299627 /nfs/dbraw/zinc/29/96/27/987299627.db2.gz ZTEASYRBARIKRS-UHFFFAOYSA-N -1 0 334.328 3.170 20 30 EGEDRM CC(C)(C(=O)O[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1cc(F)cc(C#N)c1 ZINC001589681135 987709697 /nfs/dbraw/zinc/70/96/97/987709697.db2.gz UBBSCQXIOGRJRW-IUODEOHRSA-N -1 0 333.359 3.162 20 30 EGEDRM CCc1c(C)sc(NC(=O)c2ccc(/C=C\C(=O)[O-])o2)c1C#N ZINC001597416563 987720594 /nfs/dbraw/zinc/72/05/94/987720594.db2.gz RCXIUOKHKKLJER-ALCCZGGFSA-N -1 0 330.365 3.434 20 30 EGEDRM CCc1c(C)sc(NC(=O)c2cccc(CC(=O)[O-])c2)c1C#N ZINC001597416763 987721721 /nfs/dbraw/zinc/72/17/21/987721721.db2.gz TWTXHLMYWKVPAI-UHFFFAOYSA-N -1 0 328.393 3.370 20 30 EGEDRM CCc1ccc([C@@H](C#N)N(C)C(=O)c2oc(C(=O)[O-])cc2C)cc1 ZINC001597508149 988083700 /nfs/dbraw/zinc/08/37/00/988083700.db2.gz DFPVUIDJAXMEGA-CQSZACIVSA-N -1 0 326.352 3.186 20 30 EGEDRM CCc1oc(C(=O)[O-])cc1COC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC001597772517 989240441 /nfs/dbraw/zinc/24/04/41/989240441.db2.gz UFVFOBNJMGLFQY-LSDHHAIUSA-N -1 0 339.347 3.259 20 30 EGEDRM CC(C)(C)c1ccc(CSCC(=O)N(CC#N)CCC(=O)[O-])cc1 ZINC001590487266 990086882 /nfs/dbraw/zinc/08/68/82/990086882.db2.gz KMLYBYYFWJLWJF-UHFFFAOYSA-N -1 0 348.468 3.044 20 30 EGEDRM CN(c1ccccc1)C1CCN(Cc2cccc(C(=O)[O-])c2C#N)CC1 ZINC001598543974 992925060 /nfs/dbraw/zinc/92/50/60/992925060.db2.gz AKCZSFVADGYARQ-UHFFFAOYSA-N -1 0 349.434 3.357 20 30 EGEDRM COc1ccc2[nH]cc(CN=Nc3cccc(F)c3C(=O)[O-])c2c1 ZINC001599623505 994116863 /nfs/dbraw/zinc/11/68/63/994116863.db2.gz FIKFDBZMZRKWNY-UHFFFAOYSA-N -1 0 327.315 3.460 20 30 EGEDRM C[C@@H](c1ccccn1)N(Cc1ccoc1C(=O)[O-])C(=O)CCCC#N ZINC001593720593 996251628 /nfs/dbraw/zinc/25/16/28/996251628.db2.gz WJEVTMMGIBMSSI-ZDUSSCGKSA-N -1 0 341.367 3.156 20 30 EGEDRM COc1cc(CNc2ncc(Cl)c(C)c2C#N)ccc1C(=O)[O-] ZINC001599418414 997551359 /nfs/dbraw/zinc/55/13/59/997551359.db2.gz HUQIXYCHNXTGRV-UHFFFAOYSA-N -1 0 331.759 3.234 20 30 EGEDRM COc1ccc([C@@H](NCC#Cc2ccccc2Cl)C(=O)[O-])cc1 ZINC001599526563 997570363 /nfs/dbraw/zinc/57/03/63/997570363.db2.gz IXKQLVRJNCYPRY-QGZVFWFLSA-N -1 0 329.783 3.116 20 30 EGEDRM C[C@]1(NC(=O)C[C@H](CC#N)c2ccccc2)CCCC[C@H]1C(=O)[O-] ZINC001594054018 997781305 /nfs/dbraw/zinc/78/13/05/997781305.db2.gz ZSHQMECXGCWYQN-BXWFABGCSA-N -1 0 328.412 3.224 20 30 EGEDRM COc1ccc(/C=C\C(=O)[O-])cc1OC(=O)c1ccc(C)c(C#N)c1 ZINC001599541359 997849566 /nfs/dbraw/zinc/84/95/66/997849566.db2.gz BUDFURXQMYUQPA-YVMONPNESA-N -1 0 337.331 3.192 20 30 EGEDRM COc1ccc(/C=C/C(=O)[O-])cc1Oc1cc(C#N)sc1[N+](=O)[O-] ZINC001599545360 997913244 /nfs/dbraw/zinc/91/32/44/997913244.db2.gz DPKLGHWCKCWGRJ-HWKANZROSA-N -1 0 346.320 3.427 20 30 EGEDRM COc1ccc(COC(=O)C23CCC(C(=O)[O-])(CC2)CC3)cc1C#N ZINC001599576163 998446580 /nfs/dbraw/zinc/44/65/80/998446580.db2.gz ZLYCEXOHECLVBD-UHFFFAOYSA-N -1 0 343.379 3.035 20 30 EGEDRM CCc1sc(C([O-])=C(C#N)C(=O)NCc2ccccc2)cc1C ZINC000103503584 219308292 /nfs/dbraw/zinc/30/82/92/219308292.db2.gz JOJSRMURGDFJSN-CQSZACIVSA-N -1 0 326.421 3.258 20 30 EGEDRM N#Cc1nc(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)[n-]c1C#N ZINC000069376612 215393813 /nfs/dbraw/zinc/39/38/13/215393813.db2.gz XPSOZNIEWCPYKL-DTWKUNHWSA-N -1 0 346.177 3.202 20 30 EGEDRM N#Cc1nc(NC(=O)c2cc3c(cc(Cl)cc3Cl)[nH]2)[n-]c1C#N ZINC000361735219 283251085 /nfs/dbraw/zinc/25/10/85/283251085.db2.gz IAXBVZDKCTYTIZ-UHFFFAOYSA-N -1 0 345.149 3.193 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2nn(C(C)C)cc2C#N)sc1Cl ZINC000190321775 238388786 /nfs/dbraw/zinc/38/87/86/238388786.db2.gz RKTHFZCFPMINML-UHFFFAOYSA-N -1 0 344.849 3.160 20 30 EGEDRM N#Cc1cccc(C=CC(=O)[N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000048454776 213941290 /nfs/dbraw/zinc/94/12/90/213941290.db2.gz BTZSMUYMRQHMAR-WTKPLQERSA-N -1 0 330.340 3.056 20 30 EGEDRM C=CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC000006316135 210617556 /nfs/dbraw/zinc/61/75/56/210617556.db2.gz JXWLZDPYPHQTHR-UHFFFAOYSA-N -1 0 344.436 3.020 20 30 EGEDRM CCOc1ccc(NC(=O)c2cc(C#N)c(SC)[n-]c2=O)cc1 ZINC000027605667 140792108 /nfs/dbraw/zinc/79/21/08/140792108.db2.gz ZUDLBAMNIWLSEJ-UHFFFAOYSA-N -1 0 329.381 3.032 20 30 EGEDRM N#Cc1cc(F)ccc1[N-]S(=O)(=O)CCc1cccc(Cl)c1 ZINC000351448917 144265368 /nfs/dbraw/zinc/26/53/68/144265368.db2.gz GJTYEOJAYPEFBQ-UHFFFAOYSA-N -1 0 338.791 3.335 20 30 EGEDRM CC(C)C[C@@H](C)n1nccc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000340040326 155078692 /nfs/dbraw/zinc/07/86/92/155078692.db2.gz CMXSWZZQSQHZLU-CYBMUJFWSA-N -1 0 332.429 3.163 20 30 EGEDRM COc1cc(/C=C\c2nc(C(=O)[O-])ccc2C#N)cc(Cl)c1OC ZINC000356210072 156624928 /nfs/dbraw/zinc/62/49/28/156624928.db2.gz FRYZXYAZXMHAOX-HYXAFXHYSA-N -1 0 344.754 3.492 20 30 EGEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000057125757 161530014 /nfs/dbraw/zinc/53/00/14/161530014.db2.gz HDLOIGVFXLAGTQ-UHFFFAOYSA-N -1 0 338.335 3.036 20 30 EGEDRM Cc1[nH]nc([N-]S(=O)(=O)c2cc(C(C)C)ccc2Cl)c1C#N ZINC000340634829 163629080 /nfs/dbraw/zinc/62/90/80/163629080.db2.gz YBCIVQQZTCNMCO-UHFFFAOYSA-N -1 0 338.820 3.167 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2-n2cccc2)o1 ZINC000340956742 163702175 /nfs/dbraw/zinc/70/21/75/163702175.db2.gz NOBBPSOTHPOUQE-UHFFFAOYSA-N -1 0 347.783 3.396 20 30 EGEDRM COc1ccc2nc(/C=C\c3nc(C(=O)[O-])ccc3C#N)sc2c1 ZINC000352332157 165347130 /nfs/dbraw/zinc/34/71/30/165347130.db2.gz YEOXHFHCUMYITJ-SREVYHEPSA-N -1 0 337.360 3.440 20 30 EGEDRM C[C@@H](Sc1ccc(Cl)cc1)C(=O)N=c1[nH][n-]c(C2CC2)c1C#N ZINC000359720580 167213891 /nfs/dbraw/zinc/21/38/91/167213891.db2.gz VZZGMHOYOHPMIN-SECBINFHSA-N -1 0 346.843 3.353 20 30 EGEDRM Cc1cccc(S(=O)(=O)[N-]c2ccc([C@@H]3CCOC3)cc2)c1C#N ZINC000295184675 270042752 /nfs/dbraw/zinc/04/27/52/270042752.db2.gz JOYFQVXVHJXZPU-OAHLLOKOSA-N -1 0 342.420 3.171 20 30 EGEDRM COc1ccc(CNc2cc(CCC(=O)[O-])ccc2OC)cc1C#N ZINC000417623330 270048053 /nfs/dbraw/zinc/04/80/53/270048053.db2.gz IPVNWMFTJDEGSL-UHFFFAOYSA-N -1 0 340.379 3.205 20 30 EGEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1sc(C)cc1C ZINC000431178108 267169056 /nfs/dbraw/zinc/16/90/56/267169056.db2.gz JHXXZTBMWJKJAJ-UHFFFAOYSA-N -1 0 336.438 3.436 20 30 EGEDRM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000439249321 267354238 /nfs/dbraw/zinc/35/42/38/267354238.db2.gz RQTJYWDXRWBWOW-UHFFFAOYSA-N -1 0 327.818 3.116 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2ccc(F)c(Br)c2)cc1[O-] ZINC000443286583 268205365 /nfs/dbraw/zinc/20/53/65/268205365.db2.gz VQABGANHOGZGSC-UHFFFAOYSA-N -1 0 335.132 3.418 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)cc2)o1 ZINC000288364273 268207882 /nfs/dbraw/zinc/20/78/82/268207882.db2.gz HHJMTFHABTWONE-UHFFFAOYSA-N -1 0 332.381 3.273 20 30 EGEDRM N#Cc1ccc(Cl)cc1N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000290623372 276521127 /nfs/dbraw/zinc/52/11/27/276521127.db2.gz GOIBNTULIJZQMB-JTQLQIEISA-N -1 0 345.752 3.107 20 30 EGEDRM Cc1cccc(S(=O)(=O)[N-]c2cccc3c2ccn3C)c1C#N ZINC000532724306 313835478 /nfs/dbraw/zinc/83/54/78/313835478.db2.gz SGNJBZQIVWEGLR-UHFFFAOYSA-N -1 0 325.393 3.159 20 30 EGEDRM CC[C@H](C)n1ncc([N-]S(=O)(=O)c2cccc(C#N)c2)c1C1CC1 ZINC000534971874 314009532 /nfs/dbraw/zinc/00/95/32/314009532.db2.gz ISYUTULTBDBPDO-LBPRGKRZSA-N -1 0 344.440 3.404 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc3cc[nH]c32)cc1Cl ZINC000548150682 314978602 /nfs/dbraw/zinc/97/86/02/314978602.db2.gz VGXRUBPZZPWOJM-UHFFFAOYSA-N -1 0 331.784 3.494 20 30 EGEDRM Cc1[n-][nH]c(=NC(=O)c2ccc3[nH]c4c(c3c2)CCCCC4)c1C#N ZINC000563932727 316092449 /nfs/dbraw/zinc/09/24/49/316092449.db2.gz AGSCYWICTURNKS-UHFFFAOYSA-N -1 0 333.395 3.014 20 30 EGEDRM CC1(c2cc([N-]S(=O)(=O)c3ccc(C#N)c(F)c3)no2)CCCC1 ZINC000574822442 317640155 /nfs/dbraw/zinc/64/01/55/317640155.db2.gz ZGQXNCBAIDITJC-UHFFFAOYSA-N -1 0 349.387 3.318 20 30 EGEDRM C=CCn1c(=O)c2ccc(C(=O)NC3CCCCC3)cc2[n-]c1=S ZINC000000211070 452537440 /nfs/dbraw/zinc/53/74/40/452537440.db2.gz CYDOSJRNHQDQPW-UHFFFAOYSA-N -1 0 343.452 3.308 20 30 EGEDRM Cc1sc([C@@H]2CCCN2c2ccc(C#N)c(C)n2)nc1C(=O)[O-] ZINC000600673983 460564441 /nfs/dbraw/zinc/56/44/41/460564441.db2.gz CDLNBDFBIQDJFQ-LBPRGKRZSA-N -1 0 328.397 3.066 20 30 EGEDRM C=CCc1ccc(OCC(=O)Nc2cccc(C(=O)[O-])c2)c(OC)c1 ZINC000013094807 453444327 /nfs/dbraw/zinc/44/43/27/453444327.db2.gz HXDIQEVVLOBFOC-UHFFFAOYSA-N -1 0 341.363 3.139 20 30 EGEDRM C[C@@H]1CN(c2c(C#N)cnc3c(F)c(F)c(F)cc32)CC[C@@H]1C(=O)[O-] ZINC000600801462 460609530 /nfs/dbraw/zinc/60/95/30/460609530.db2.gz QIGSJQGIALEHSQ-SCZZXKLOSA-N -1 0 349.312 3.071 20 30 EGEDRM O=C([N-]S(=O)(=O)N1CCCCC1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000052794034 453844888 /nfs/dbraw/zinc/84/48/88/453844888.db2.gz YAXCHNSTEQVJLO-WDEREUQCSA-N -1 0 342.383 3.042 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2sc(-c3ncccn3)nc2C)n1 ZINC000054428431 453930298 /nfs/dbraw/zinc/93/02/98/453930298.db2.gz XDZBWFZXVWGOOD-JTQLQIEISA-N -1 0 341.421 3.164 20 30 EGEDRM Cc1cncc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c1 ZINC000083577449 453952880 /nfs/dbraw/zinc/95/28/80/453952880.db2.gz OPCMJEPZTUSYEU-UHFFFAOYSA-N -1 0 341.314 3.081 20 30 EGEDRM CC(C)COc1cccc([N-]S(=O)(=O)c2ccccc2C#N)c1 ZINC000055636970 454001655 /nfs/dbraw/zinc/00/16/55/454001655.db2.gz DNTWUYFUKDPNGT-UHFFFAOYSA-N -1 0 330.409 3.394 20 30 EGEDRM CCCCS(=O)(=O)[N-]C(=O)C=Cc1ccccc1OC(F)F ZINC000042343898 454007553 /nfs/dbraw/zinc/00/75/53/454007553.db2.gz KWCOJTYOIBDFMZ-CMDGGOBGSA-N -1 0 333.356 3.388 20 30 EGEDRM N#CC(=C([O-])c1n[nH]c2c1CCCCC2)c1cnc2ccccc2n1 ZINC000190928256 455407899 /nfs/dbraw/zinc/40/78/99/455407899.db2.gz HPSUKIKZYUKYOY-ZDUSSCGKSA-N -1 0 331.379 3.112 20 30 EGEDRM O=C([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C1CCOCC1 ZINC000069605043 454123653 /nfs/dbraw/zinc/12/36/53/454123653.db2.gz YHQNBHWUDDJSNY-UHFFFAOYSA-N -1 0 338.212 3.065 20 30 EGEDRM CCc1ccc(S(=O)(=O)[N-]c2ncccc2OCCCC#N)cc1 ZINC000069677385 454132215 /nfs/dbraw/zinc/13/22/15/454132215.db2.gz NJXVXXCELRAWTQ-UHFFFAOYSA-N -1 0 345.424 3.127 20 30 EGEDRM C=CCN(Cc1ccccc1F)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000130435632 454197915 /nfs/dbraw/zinc/19/79/15/454197915.db2.gz GKKCINPKFJDSPB-UHFFFAOYSA-N -1 0 330.315 3.268 20 30 EGEDRM C=CCCS(=O)(=O)[N-]c1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000120112366 454259431 /nfs/dbraw/zinc/25/94/31/454259431.db2.gz WQJDMQSAFPRNGQ-ZDUSSCGKSA-N -1 0 345.848 3.216 20 30 EGEDRM N#CCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccccc1 ZINC000120986827 454373629 /nfs/dbraw/zinc/37/36/29/454373629.db2.gz ARLLPYQEQXVFSQ-CQSZACIVSA-N -1 0 325.324 3.075 20 30 EGEDRM Cc1nn(C)cc1C([O-])=C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000073089204 454392772 /nfs/dbraw/zinc/39/27/72/454392772.db2.gz GGCFIBXPCOWZNY-JTQLQIEISA-N -1 0 330.800 3.482 20 30 EGEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N/[C@@H]2CCN(c3ccccn3)C2)c1[O-] ZINC000133116530 454394383 /nfs/dbraw/zinc/39/43/83/454394383.db2.gz WHNMWJPPLBUFPV-VDLQQMNMSA-N -1 0 346.774 3.047 20 30 EGEDRM CC(C)N(Cc1c([O-])nnn1-c1ccccc1)Cc1ccc(C#N)cc1 ZINC000063729589 454442772 /nfs/dbraw/zinc/44/27/72/454442772.db2.gz GFBBASQLTXXFLV-UHFFFAOYSA-N -1 0 347.422 3.255 20 30 EGEDRM Cc1nc(-c2ccccc2)ccc1C([O-])=C(C#N)C(=O)NC1CCCC1 ZINC000102051180 454492035 /nfs/dbraw/zinc/49/20/35/454492035.db2.gz KUZDAWXUUGXOKQ-SFHVURJKSA-N -1 0 347.418 3.438 20 30 EGEDRM CCc1c(C([O-])=C(C#N)c2nc(C)cs2)cnn1-c1ccccn1 ZINC000122300659 454520453 /nfs/dbraw/zinc/52/04/53/454520453.db2.gz LDRKHMPSMXYIQX-GFCCVEGCSA-N -1 0 337.408 3.085 20 30 EGEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(Cl)c2O)c1 ZINC000160395128 455453562 /nfs/dbraw/zinc/45/35/62/455453562.db2.gz LEIJKZALOBRFGS-UHFFFAOYSA-N -1 0 343.191 3.371 20 30 EGEDRM Cc1cc(C(C#N)=C([O-])c2ccc(Br)s2)nc(C)n1 ZINC000049405790 454546614 /nfs/dbraw/zinc/54/66/14/454546614.db2.gz PYSSMBAYALHXGH-SECBINFHSA-N -1 0 336.214 3.408 20 30 EGEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1ccc(-c2cnco2)cc1 ZINC000103691386 454564434 /nfs/dbraw/zinc/56/44/34/454564434.db2.gz BNURKHWOPWYKKV-MRXNPFEDSA-N -1 0 337.379 3.113 20 30 EGEDRM C[C@@H](/N=C/c1cc(Cl)cc(Cl)c1[O-])[C@H](C)N1CCOCC1 ZINC000105356567 454635758 /nfs/dbraw/zinc/63/57/58/454635758.db2.gz VKPFJJLFWBQVJX-PUTDFEQRSA-N -1 0 331.243 3.227 20 30 EGEDRM C[C@H]([C@H](C)/N=C/c1cc(Cl)cc(Cl)c1[O-])N1CCOCC1 ZINC000105356556 454636483 /nfs/dbraw/zinc/63/64/83/454636483.db2.gz VKPFJJLFWBQVJX-OVDLZUANSA-N -1 0 331.243 3.227 20 30 EGEDRM N#CC1CCN(C(=O)c2cc(Cl)cc(Br)c2[O-])CC1 ZINC000176282866 454722482 /nfs/dbraw/zinc/72/24/82/454722482.db2.gz HNGRFZPRJTYAFN-UHFFFAOYSA-N -1 0 343.608 3.184 20 30 EGEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C)cc(F)c1 ZINC000176696106 454772052 /nfs/dbraw/zinc/77/20/52/454772052.db2.gz RACGRYLUGKPRQH-UHFFFAOYSA-N -1 0 334.372 3.205 20 30 EGEDRM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C)cc(F)c1 ZINC000125237039 454806459 /nfs/dbraw/zinc/80/64/59/454806459.db2.gz APVAKLSJSOALFU-UHFFFAOYSA-N -1 0 333.388 3.238 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cn2)cc1C(F)(F)F ZINC000110121925 454841389 /nfs/dbraw/zinc/84/13/89/454841389.db2.gz GQYGNIKQEVNQHP-UHFFFAOYSA-N -1 0 341.314 3.081 20 30 EGEDRM Cc1cccnc1[N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000177923503 454920702 /nfs/dbraw/zinc/92/07/02/454920702.db2.gz WQYUOTZSWSWCBU-UHFFFAOYSA-N -1 0 341.314 3.081 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2O)c(Cl)c1 ZINC000169254474 454929547 /nfs/dbraw/zinc/92/95/47/454929547.db2.gz YDMMBLRPMUXDTB-UHFFFAOYSA-N -1 0 343.191 3.371 20 30 EGEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]c2cccc(Cl)c2F)c(F)c1 ZINC000128285779 455042587 /nfs/dbraw/zinc/04/25/87/455042587.db2.gz ICOAVLKFHRKHBL-UHFFFAOYSA-N -1 0 346.717 3.430 20 30 EGEDRM CCc1noc2ncc(C([O-])=C(C#N)c3nc4ccccc4o3)cc12 ZINC000171266760 455054576 /nfs/dbraw/zinc/05/45/76/455054576.db2.gz HYHSPGIZUQNHDX-LBPRGKRZSA-N -1 0 332.319 3.416 20 30 EGEDRM Cc1ncc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)c(C)n1 ZINC000179902621 455096813 /nfs/dbraw/zinc/09/68/13/455096813.db2.gz UIEVMNJPSLPESY-NSHDSACASA-N -1 0 341.321 3.328 20 30 EGEDRM N#CCCN(Cc1ccco1)C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000118882973 455115931 /nfs/dbraw/zinc/11/59/31/455115931.db2.gz OCCYHGYVSUQCDE-UHFFFAOYSA-N -1 0 327.365 3.266 20 30 EGEDRM CCCNC(=O)c1cccc(C([O-])=C(C#N)c2nc3ccccc3o2)c1 ZINC000172668784 455170027 /nfs/dbraw/zinc/17/00/27/455170027.db2.gz NKFRJQSYBKSUJD-HNNXBMFYSA-N -1 0 347.374 3.458 20 30 EGEDRM COc1cc(C([O-])=C(C#N)c2cnc3ccccc3n2)ccc1[N+](=O)[O-] ZINC000190918277 455405093 /nfs/dbraw/zinc/40/50/93/455405093.db2.gz CDXSRNYKTLLRMQ-LBPRGKRZSA-N -1 0 348.318 3.037 20 30 EGEDRM N#CCc1cccc(C(=O)N[C@@H](C(=O)[O-])c2ccc3ccccc3c2)c1 ZINC000191481422 455488822 /nfs/dbraw/zinc/48/88/22/455488822.db2.gz IYCDFBKTQBRZMO-LJQANCHMSA-N -1 0 344.370 3.462 20 30 EGEDRM C=CCOCCCC(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000191489169 455489580 /nfs/dbraw/zinc/48/95/80/455489580.db2.gz ODMQCJYEFVVHGZ-SFHVURJKSA-N -1 0 327.380 3.065 20 30 EGEDRM C=CCN(Cc1ccccc1)C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000175839351 455504019 /nfs/dbraw/zinc/50/40/19/455504019.db2.gz RXRKIEPOIUVJCT-UHFFFAOYSA-N -1 0 333.391 3.406 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(F)c(Cl)c2)cn1 ZINC000191803645 455520901 /nfs/dbraw/zinc/52/09/01/455520901.db2.gz RKTHTQSPCJJYQE-UHFFFAOYSA-N -1 0 346.170 3.200 20 30 EGEDRM C=C(C)C[C@@H](C)C(=O)N(CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000192864722 455708403 /nfs/dbraw/zinc/70/84/03/455708403.db2.gz HVKSBQXICQTYEB-GFCCVEGCSA-N -1 0 325.355 3.370 20 30 EGEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)nc2)cc(C(F)(F)F)c1 ZINC000616960175 460684805 /nfs/dbraw/zinc/68/48/05/460684805.db2.gz CFPQKWDHGYLPAM-UHFFFAOYSA-N -1 0 341.314 3.081 20 30 EGEDRM CC1(C)Cc2nc(NC(=O)c3ccc(C#N)c([O-])c3)sc2C(=O)C1 ZINC000188296943 456038559 /nfs/dbraw/zinc/03/85/59/456038559.db2.gz NSDKOADLHJXFHI-UHFFFAOYSA-N -1 0 341.392 3.128 20 30 EGEDRM C=CCC[C@H](NC(=O)[C@@H](C)Sc1ccc(Cl)cc1)C(=O)[O-] ZINC000262893097 456067144 /nfs/dbraw/zinc/06/71/44/456067144.db2.gz LQAWBCAJFLTVIQ-MFKMUULPSA-N -1 0 327.833 3.356 20 30 EGEDRM C=CCCO[C@H](C)C(=O)N[C@H](C[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC000262911703 456067644 /nfs/dbraw/zinc/06/76/44/456067644.db2.gz DNZZLWQBAWUROU-QGPMSJSTSA-N -1 0 345.439 3.047 20 30 EGEDRM C=CCC[C@@H](NC(=O)CCc1cccc(OC2CCCC2)c1)C(=O)[O-] ZINC000262935404 456069369 /nfs/dbraw/zinc/06/93/69/456069369.db2.gz PHEMVISJBSOWBX-GOSISDBHSA-N -1 0 345.439 3.476 20 30 EGEDRM C=CCC[C@H](NC(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000263153852 456101418 /nfs/dbraw/zinc/10/14/18/456101418.db2.gz FPHJYTWRTGQJEW-XIRDDKMYSA-N -1 0 330.428 3.446 20 30 EGEDRM C=CCN(CCc1ccccc1)C(=O)c1c(C)coc1CC(=O)[O-] ZINC000263428388 456148835 /nfs/dbraw/zinc/14/88/35/456148835.db2.gz MTOQBPHGNIBFHA-UHFFFAOYSA-N -1 0 327.380 3.086 20 30 EGEDRM C=C(C)COc1cccc(NC(=O)NC2CCC(C(=O)[O-])CC2)c1 ZINC000263479367 456155136 /nfs/dbraw/zinc/15/51/36/456155136.db2.gz KIJFSLNTXAGXGH-UHFFFAOYSA-N -1 0 332.400 3.406 20 30 EGEDRM C=CCC[C@H](NC(=O)Nc1cc(C)cc(Br)c1)C(=O)[O-] ZINC000315939076 456611272 /nfs/dbraw/zinc/61/12/72/456611272.db2.gz SGUYEVVUDXJIFT-LBPRGKRZSA-N -1 0 341.205 3.298 20 30 EGEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1cc(Cl)ccc1OC(F)(F)F ZINC000328230318 456710434 /nfs/dbraw/zinc/71/04/34/456710434.db2.gz CVBHZVYODWIJRS-MRVPVSSYSA-N -1 0 342.726 3.282 20 30 EGEDRM CC[C@H](CC#N)NC(=O)N=c1nc(Sc2ccc(C)cc2)[n-]s1 ZINC000353529787 456738658 /nfs/dbraw/zinc/73/86/58/456738658.db2.gz LKDVFMOKHSXTBI-LLVKDONJSA-N -1 0 347.469 3.233 20 30 EGEDRM N#CC(=C([O-])c1coc(C2CCCC2)n1)c1nnc2n1CCCCC2 ZINC000328699226 456739159 /nfs/dbraw/zinc/73/91/59/456739159.db2.gz MDUIFVZQTLJPMW-CYBMUJFWSA-N -1 0 339.399 3.140 20 30 EGEDRM CCC(=O)c1ccc(C([O-])=C(C#N)c2nnc3n2CCCCC3)cc1 ZINC000340914889 456758768 /nfs/dbraw/zinc/75/87/68/456758768.db2.gz OFRRKLLLTFRFNM-OAHLLOKOSA-N -1 0 336.395 3.087 20 30 EGEDRM [O-]/C(Cc1cn2ccsc2n1)=N/C1CCN(c2nccs2)CC1 ZINC000328816053 456767387 /nfs/dbraw/zinc/76/73/87/456767387.db2.gz NRZAKMINEFZDMU-UHFFFAOYSA-N -1 0 347.469 3.020 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(F)c(Cl)c2)o1 ZINC000340959311 456784028 /nfs/dbraw/zinc/78/40/28/456784028.db2.gz GXAYQTFQQYNNMB-UHFFFAOYSA-N -1 0 335.143 3.398 20 30 EGEDRM Cc1cc([N-]S(=O)(=O)c2ccc3ccccc3c2)nn1CCC#N ZINC000348909511 456887181 /nfs/dbraw/zinc/88/71/81/456887181.db2.gz QUXMKKIWBMLUQC-UHFFFAOYSA-N -1 0 340.408 3.059 20 30 EGEDRM C=C(C)Cn1c(-c2cc(C)oc2C)n[n-]c1=Nc1c(C)nn(C)c1C ZINC000359227028 457066802 /nfs/dbraw/zinc/06/68/02/457066802.db2.gz JVLHFHSQJIFASM-UHFFFAOYSA-N -1 0 340.431 3.247 20 30 EGEDRM C=CCCS(=O)(=O)[N-]c1cccc2cc(Br)cnc21 ZINC000350485745 457183862 /nfs/dbraw/zinc/18/38/62/457183862.db2.gz ZJULJVMSLDWVSB-UHFFFAOYSA-N -1 0 341.230 3.315 20 30 EGEDRM CC(C)c1cc(C([O-])=C(C#N)c2ccncn2)nn1-c1ccccc1 ZINC000354464723 457240697 /nfs/dbraw/zinc/24/06/97/457240697.db2.gz JEAQUDSQALAHNJ-HNNXBMFYSA-N -1 0 331.379 3.276 20 30 EGEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]C(C2CCC2)C2CCC2)c(F)c1 ZINC000352502032 457421331 /nfs/dbraw/zinc/42/13/31/457421331.db2.gz ZGDIFJPHZHTRHO-UHFFFAOYSA-N -1 0 340.395 3.084 20 30 EGEDRM Cc1ccccc1CCNS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000387599598 457431574 /nfs/dbraw/zinc/43/15/74/457431574.db2.gz VOTXBAFPTKLXHY-UHFFFAOYSA-N -1 0 334.828 3.041 20 30 EGEDRM C=CC[C@@H](CC)NS(=O)(=O)c1ccc(Br)cc1F ZINC000393781678 457467328 /nfs/dbraw/zinc/46/73/28/457467328.db2.gz BCTHAFAJRIEGTC-SNVBAGLBSA-N -1 0 336.226 3.221 20 30 EGEDRM Cc1cc(C(F)(F)F)ncc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000357356842 457470556 /nfs/dbraw/zinc/47/05/56/457470556.db2.gz LOZUNLUSTCWAJT-UHFFFAOYSA-N -1 0 341.314 3.081 20 30 EGEDRM Cc1cn2cc(C([O-])=C(C#N)c3nc4ccccc4n3C)sc2n1 ZINC000356163415 457498171 /nfs/dbraw/zinc/49/81/71/457498171.db2.gz IJXDANHGKSIBQX-NSHDSACASA-N -1 0 335.392 3.081 20 30 EGEDRM Cc1cn2cc(C([O-])=C(C#N)c3nc4ccccc4n3C)sc2n1 ZINC000356163414 457498626 /nfs/dbraw/zinc/49/86/26/457498626.db2.gz IJXDANHGKSIBQX-LLVKDONJSA-N -1 0 335.392 3.081 20 30 EGEDRM CC(C)n1cc(C#N)c(=NC(=O)C2CC(c3cccc(F)c3)C2)[n-]1 ZINC000364429221 457601375 /nfs/dbraw/zinc/60/13/75/457601375.db2.gz BIFIZJIZEYNNPW-UHFFFAOYSA-N -1 0 326.375 3.029 20 30 EGEDRM N#CC(=C([O-])c1cnnn1-c1cccc(F)c1)c1nc2ccccc2o1 ZINC000434624741 458024294 /nfs/dbraw/zinc/02/42/94/458024294.db2.gz ROPZWJNUQXUSSV-ZDUSSCGKSA-N -1 0 347.309 3.038 20 30 EGEDRM N#C[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)c1cc(C(F)(F)F)ccn1 ZINC000362192461 458041072 /nfs/dbraw/zinc/04/10/72/458041072.db2.gz SPQPNALZQXIDJQ-GFCCVEGCSA-N -1 0 335.241 3.499 20 30 EGEDRM CC(C)c1nn(C)cc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000362186088 458041254 /nfs/dbraw/zinc/04/12/54/458041254.db2.gz JOFQWGJBTOWPMI-LLVKDONJSA-N -1 0 336.317 3.447 20 30 EGEDRM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(C#N)s2)c1 ZINC000435480749 458153661 /nfs/dbraw/zinc/15/36/61/458153661.db2.gz IEFMBSPRKUQGHK-UHFFFAOYSA-N -1 0 349.437 3.078 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccnc2-c2ccccc2)s1 ZINC000435491174 458155633 /nfs/dbraw/zinc/15/56/33/458155633.db2.gz ADUKBMBUWAUFOG-UHFFFAOYSA-N -1 0 341.417 3.483 20 30 EGEDRM CCCCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)cn1 ZINC000435729896 458191958 /nfs/dbraw/zinc/19/19/58/458191958.db2.gz FKCNZPMCUQZYNU-UHFFFAOYSA-N -1 0 345.424 3.241 20 30 EGEDRM Cc1c(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)nnn1C(C)C ZINC000429669551 458356213 /nfs/dbraw/zinc/35/62/13/458356213.db2.gz GKIPJWSOFQNUFF-LLVKDONJSA-N -1 0 337.305 3.071 20 30 EGEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)NCCCCCC(=O)[O-] ZINC000417766337 458367376 /nfs/dbraw/zinc/36/73/76/458367376.db2.gz ZKXHQHSHULENEI-UHFFFAOYSA-N -1 0 333.388 3.112 20 30 EGEDRM C=CCC[C@H](NC(=O)c1cc(C)cc(C)c1Br)C(=O)[O-] ZINC000448994652 458418440 /nfs/dbraw/zinc/41/84/40/458418440.db2.gz OSGBNAUVHRYVRN-LBPRGKRZSA-N -1 0 340.217 3.215 20 30 EGEDRM CC(=O)Nc1ccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)nc1 ZINC000430596850 458469581 /nfs/dbraw/zinc/46/95/81/458469581.db2.gz XSYQTSODSIGQMS-LBPRGKRZSA-N -1 0 342.424 3.284 20 30 EGEDRM C=C(C)Cn1c([C@@H]2CCCO2)n[n-]c1=Nc1ccc(CC)c(OC)c1 ZINC000453456510 458532176 /nfs/dbraw/zinc/53/21/76/458532176.db2.gz VNFNVGNIXIWYTK-INIZCTEOSA-N -1 0 342.443 3.442 20 30 EGEDRM CCCc1nc(=NC(=O)N[C@@H](CCCC#N)c2ccccc2)s[n-]1 ZINC000455367457 458595181 /nfs/dbraw/zinc/59/51/81/458595181.db2.gz AOERSRVCRZWQSW-AWEZNQCLSA-N -1 0 343.456 3.469 20 30 EGEDRM CCc1ccccc1-n1cc([O-])c(C(=O)Nc2ccc(CC#N)cc2)n1 ZINC000438904915 458628350 /nfs/dbraw/zinc/62/83/50/458628350.db2.gz WAZZBTJLGAMXFY-UHFFFAOYSA-N -1 0 346.390 3.459 20 30 EGEDRM C=CCOc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000511680217 458779944 /nfs/dbraw/zinc/77/99/44/458779944.db2.gz ICCSNHXTXBYAIJ-UHFFFAOYSA-N -1 0 348.380 3.269 20 30 EGEDRM CCc1nc(C)c(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)s1 ZINC000530947060 458848556 /nfs/dbraw/zinc/84/85/56/458848556.db2.gz WLOBYXOPIDXAKC-SNVBAGLBSA-N -1 0 325.397 3.084 20 30 EGEDRM CCCc1ncc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)s1 ZINC000531185195 458885045 /nfs/dbraw/zinc/88/50/45/458885045.db2.gz GOJHOFHPTSCARD-JTQLQIEISA-N -1 0 325.397 3.165 20 30 EGEDRM Cc1cc(C#N)cnc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000551865096 458889733 /nfs/dbraw/zinc/88/97/33/458889733.db2.gz NRXDQBLAQGEPDG-LBPRGKRZSA-N -1 0 330.269 3.166 20 30 EGEDRM N#CCc1ccnc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)c1 ZINC000531652933 458953073 /nfs/dbraw/zinc/95/30/73/458953073.db2.gz BKWSZRPVUGRYNV-UHFFFAOYSA-N -1 0 348.236 3.317 20 30 EGEDRM CC(C)[C@H](CNC(=O)N[C@@H](CCCC#N)c1ccccc1)C(=O)[O-] ZINC000594529350 459081248 /nfs/dbraw/zinc/08/12/48/459081248.db2.gz RPCUEBPCYFOFKC-HOTGVXAUSA-N -1 0 331.416 3.078 20 30 EGEDRM C[C@@](CC(=O)[O-])(C(=O)NCCc1ccc(C#N)cc1)C1CCCCC1 ZINC000594661979 459123918 /nfs/dbraw/zinc/12/39/18/459123918.db2.gz ULUQHFADNVGYIJ-FQEVSTJZSA-N -1 0 342.439 3.278 20 30 EGEDRM Cc1cccc([C@H](NC(=O)NCC2(C#N)CCCCC2)C(=O)[O-])c1C ZINC000594690385 459131240 /nfs/dbraw/zinc/13/12/40/459131240.db2.gz HVKZSQZMTSIKOO-INIZCTEOSA-N -1 0 343.427 3.202 20 30 EGEDRM N#Cc1ccc(C(=O)N2C[C@@H]3CCCCN3c3ccccc32)cc1[O-] ZINC000590525494 459143541 /nfs/dbraw/zinc/14/35/41/459143541.db2.gz YFZVUZUQSPJCGH-INIZCTEOSA-N -1 0 333.391 3.283 20 30 EGEDRM C[C@H](CN=Nc1ccc(C(=O)[O-])c(F)c1)CNC(=O)OC(C)(C)C ZINC000496541091 459232317 /nfs/dbraw/zinc/23/23/17/459232317.db2.gz YLEPALOYHKPHLT-JTQLQIEISA-N -1 0 339.367 3.082 20 30 EGEDRM C=CCSCCNC(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000559573799 459266262 /nfs/dbraw/zinc/26/62/62/459266262.db2.gz PWWCWIZGWVJKLX-MRXNPFEDSA-N -1 0 344.436 3.184 20 30 EGEDRM C=C(C)COc1cccc(NC(=O)N[C@H](CC(F)(F)F)C(=O)[O-])c1 ZINC000559586994 459267914 /nfs/dbraw/zinc/26/79/14/459267914.db2.gz XVPIRXJNUVYAPE-GFCCVEGCSA-N -1 0 346.305 3.169 20 30 EGEDRM C=CC[C@H](Cc1ccccc1)NC(=O)N=c1[n-]nc(C2CC2)s1 ZINC000581772837 459277213 /nfs/dbraw/zinc/27/72/13/459277213.db2.gz GWIQTMWSRGZWPQ-CQSZACIVSA-N -1 0 328.441 3.146 20 30 EGEDRM C=CCN(CC=C)C(=O)N=c1[n-]nc(-c2cc(C)cc(C)c2)s1 ZINC000481955524 459283488 /nfs/dbraw/zinc/28/34/88/459283488.db2.gz WESAALGVKOEXFJ-UHFFFAOYSA-N -1 0 328.441 3.450 20 30 EGEDRM C=C(C)COc1cc(/C=C\c2cc(C(=O)[O-])ncn2)ccc1OC ZINC000535593025 459356377 /nfs/dbraw/zinc/35/63/77/459356377.db2.gz NIFAMTGHDPUKGV-XQRVVYSFSA-N -1 0 326.352 3.309 20 30 EGEDRM O=C([O-])C1(CNC(=O)c2ccc(C#Cc3ccccc3)cc2)CCC1 ZINC000540671253 459384123 /nfs/dbraw/zinc/38/41/23/459384123.db2.gz XPSNRIBYVVAYRP-UHFFFAOYSA-N -1 0 333.387 3.071 20 30 EGEDRM C=CCn1c(-c2cc3ccccc3o2)n[n-]c1=Nc1c(C)nn(C)c1C ZINC000569101040 459395652 /nfs/dbraw/zinc/39/56/52/459395652.db2.gz SRKDJKBLCQFHDL-UHFFFAOYSA-N -1 0 348.410 3.393 20 30 EGEDRM Cn1ncc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)c1C1CC1 ZINC000569180552 459408207 /nfs/dbraw/zinc/40/82/07/459408207.db2.gz NLPQBMLHJNZHJQ-LLVKDONJSA-N -1 0 334.301 3.201 20 30 EGEDRM C=CCONC(=O)Nc1cc(NC(=O)OC(C)(C)C)ccc1F ZINC000497115625 459446096 /nfs/dbraw/zinc/44/60/96/459446096.db2.gz LJMGXRJLHQPNTR-UHFFFAOYSA-N -1 0 325.340 3.412 20 30 EGEDRM N#CC1(CC(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)CCCCC1 ZINC000595998043 459492334 /nfs/dbraw/zinc/49/23/34/459492334.db2.gz RFDZBZBHDIZIIJ-MRXNPFEDSA-N -1 0 326.396 3.061 20 30 EGEDRM CC(=O)c1cc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)c(C)nc1C ZINC000486990195 459524689 /nfs/dbraw/zinc/52/46/89/459524689.db2.gz WEJBQMWRMYJDQH-HNNXBMFYSA-N -1 0 332.363 3.267 20 30 EGEDRM C=CCSCCNC(=O)N(CC(=O)[O-])[C@H](CC)c1ccccc1 ZINC000572100005 459576618 /nfs/dbraw/zinc/57/66/18/459576618.db2.gz JQROOZURXJRJAS-OAHLLOKOSA-N -1 0 336.457 3.153 20 30 EGEDRM CC(C)(C)c1[n-]n(Cc2ccc(F)cc2[N+](=O)[O-])c(=O)c1CCC#N ZINC000596260905 459577946 /nfs/dbraw/zinc/57/79/46/459577946.db2.gz PILNNIKVWAUGSA-UHFFFAOYSA-N -1 0 346.362 3.438 20 30 EGEDRM CCC(CC)c1n[n-]c(=NC(=O)N2CCC(CCC#N)CC2)s1 ZINC000564928240 459779930 /nfs/dbraw/zinc/77/99/30/459779930.db2.gz CFZOZGFUMTTYIW-UHFFFAOYSA-N -1 0 335.477 3.411 20 30 EGEDRM C=CCN(CC1CCCCC1)S(=O)(=O)CCCCCC(=O)[O-] ZINC000565890358 459789629 /nfs/dbraw/zinc/78/96/29/459789629.db2.gz PRZMRGXTJDALFD-UHFFFAOYSA-N -1 0 331.478 3.030 20 30 EGEDRM C=C(C)COc1cccc(NC(=O)N2CC[C@H](C)C[C@@H]2C(=O)[O-])c1 ZINC000574389124 459812332 /nfs/dbraw/zinc/81/23/32/459812332.db2.gz VCQQCMXIFOIWQZ-XJKSGUPXSA-N -1 0 332.400 3.359 20 30 EGEDRM N#CC1(NC(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])CCCCC1 ZINC000597034942 459822166 /nfs/dbraw/zinc/82/21/66/459822166.db2.gz VPLCICIEBCKICA-UHFFFAOYSA-N -1 0 344.802 3.188 20 30 EGEDRM CC(C)(C)c1nc(C([O-])=C(C#N)c2nnc3n2CCCCC3)cs1 ZINC000588348884 459948320 /nfs/dbraw/zinc/94/83/20/459948320.db2.gz DLVPCSHTZUVRDC-NSHDSACASA-N -1 0 343.456 3.249 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc3cccnc32)c(F)c1 ZINC000610056716 460056801 /nfs/dbraw/zinc/05/68/01/460056801.db2.gz RCQSJXGKULPXFK-UHFFFAOYSA-N -1 0 327.340 3.046 20 30 EGEDRM C=CCC[C@H](NC(=O)Nc1ccc(C)c(-c2nc(C)co2)c1)C(=O)[O-] ZINC000576204721 460091037 /nfs/dbraw/zinc/09/10/37/460091037.db2.gz PWZLOBHIVGVZLD-HNNXBMFYSA-N -1 0 343.383 3.499 20 30 EGEDRM CCCCCc1n[n-]c(=NC(=O)N[C@H](C)c2cccc(C#N)c2)s1 ZINC000610317786 460118937 /nfs/dbraw/zinc/11/89/37/460118937.db2.gz YUHAZOAFCLIVSK-GFCCVEGCSA-N -1 0 343.456 3.447 20 30 EGEDRM C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)N=c1[n-]n(C)cc1C#N ZINC000610564531 460183773 /nfs/dbraw/zinc/18/37/73/460183773.db2.gz IQVQBWNTQLKGDI-NEPJUHHUSA-N -1 0 345.834 3.023 20 30 EGEDRM N#CC[C@@H](CC(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1)c1ccccc1 ZINC000619434075 460355390 /nfs/dbraw/zinc/35/53/90/460355390.db2.gz BEYHXGXGKULLRB-AWEZNQCLSA-N -1 0 348.362 3.056 20 30 EGEDRM CCCCc1n[n-]c(=NC(=O)NCc2ccc(C#N)c(Cl)c2)s1 ZINC000619786208 460443966 /nfs/dbraw/zinc/44/39/66/460443966.db2.gz YPCSTNFFNDQSPR-UHFFFAOYSA-N -1 0 349.847 3.149 20 30 EGEDRM CC(C)CCn1cc(C([O-])=C(C#N)c2ccc3ccccc3n2)nn1 ZINC000607274331 460818669 /nfs/dbraw/zinc/81/86/69/460818669.db2.gz HGGKBRQCHPEUFP-OAHLLOKOSA-N -1 0 333.395 3.362 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nc(C3CCCCC3)cs2)cn1 ZINC000601958722 460962690 /nfs/dbraw/zinc/96/26/90/460962690.db2.gz CLVAZCLEZKMUCA-UHFFFAOYSA-N -1 0 348.453 3.258 20 30 EGEDRM CC[C@](C)(CC(=O)[O-])C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000601985463 460971650 /nfs/dbraw/zinc/97/16/50/460971650.db2.gz YWRIGRQNZKYWDE-CQSZACIVSA-N -1 0 344.289 3.286 20 30 EGEDRM C=CC[C@H]1CCCN(C(=O)c2nn(-c3ccccc3F)cc2[O-])C1 ZINC000617782243 460975550 /nfs/dbraw/zinc/97/55/50/460975550.db2.gz ALDUCDLHFMZSID-ZDUSSCGKSA-N -1 0 329.375 3.145 20 30 EGEDRM CC[C@@](CC(=O)[O-])(C(=O)NCC(C)(C)CC#N)c1ccc(C)cc1 ZINC000602000298 460981552 /nfs/dbraw/zinc/98/15/52/460981552.db2.gz PDCNLZXPDRMPON-IBGZPJMESA-N -1 0 330.428 3.174 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)[C@@H](C)Cc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000630327145 461095954 /nfs/dbraw/zinc/09/59/54/461095954.db2.gz XILRDLPDSZPYGG-SMDDNHRTSA-N -1 0 343.345 3.420 20 30 EGEDRM C=CCOc1c(Cl)cc(CN=c2[n-]nc([C@H]3C[C@H]3C)o2)cc1OC ZINC000630960276 461441387 /nfs/dbraw/zinc/44/13/87/461441387.db2.gz IPOGZIIHIGYBIQ-PWSUYJOCSA-N -1 0 349.818 3.454 20 30 EGEDRM Cc1cc2ncc(C([O-])=C(C#N)c3nc(C4CC4)cs3)c(C)n2n1 ZINC000647374446 461666370 /nfs/dbraw/zinc/66/63/70/461666370.db2.gz DCKLCBKUAWZGAX-GFCCVEGCSA-N -1 0 337.408 3.170 20 30 EGEDRM C=CCCOCC(=O)N[C@H](CC(=O)[O-])c1cccc2ccccc21 ZINC000653664012 461794334 /nfs/dbraw/zinc/79/43/34/461794334.db2.gz JRGIGQKWBIBVBF-QGZVFWFLSA-N -1 0 327.380 3.065 20 30 EGEDRM C=CCC[C@@H](NC(=O)N[C@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000654803270 462387244 /nfs/dbraw/zinc/38/72/44/462387244.db2.gz YKHSCSPVSVPKGW-ZWNOBZJWSA-N -1 0 344.333 3.485 20 30 EGEDRM COc1ccc(C(=O)[N-]S(=O)(=O)C=Cc2ccccc2)cc1OC ZINC000042320741 523377379 /nfs/dbraw/zinc/37/73/79/523377379.db2.gz LVMXWLWBALQPKH-ZHACJKMWSA-N -1 0 347.392 3.009 20 30 EGEDRM Cc1cc(F)cc(S(=O)(=O)[N-]C(=O)Cc2ccccc2CC#N)c1 ZINC000097138841 524949844 /nfs/dbraw/zinc/94/98/44/524949844.db2.gz ZQGNNYGEVMXPHR-UHFFFAOYSA-N -1 0 346.383 3.088 20 30 EGEDRM C=CCOc1ccccc1CNC(=O)N[C@@H](C(=O)[O-])C1CCCCC1 ZINC000679561057 549734701 /nfs/dbraw/zinc/73/47/01/549734701.db2.gz QWYXOPRGKHPJCP-QGZVFWFLSA-N -1 0 346.427 3.084 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1sc(CC(C)C)nc1C ZINC000727954242 574706139 /nfs/dbraw/zinc/70/61/39/574706139.db2.gz XNITZBGHSDFUKF-CYBMUJFWSA-N -1 0 335.473 3.279 20 30 EGEDRM Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C/c1cn(-c3ccccc3)nn1)CC2 ZINC000728698128 574767415 /nfs/dbraw/zinc/76/74/15/574767415.db2.gz DDIBTXCXATWIGI-FMIVXFBMSA-N -1 0 349.346 3.079 20 30 EGEDRM C[C@@H](C#N)CSc1ccccc1[N-]C(=S)NC1CCOCC1 ZINC000730954531 575040089 /nfs/dbraw/zinc/04/00/89/575040089.db2.gz BKYUELWHCUNNMN-LBPRGKRZSA-N -1 0 335.498 3.404 20 30 EGEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1csc(-c2ccoc2)n1 ZINC000731135587 575056554 /nfs/dbraw/zinc/05/65/54/575056554.db2.gz DUXOHFOUAIQMOS-ZDUSSCGKSA-N -1 0 343.408 3.174 20 30 EGEDRM COc1ccc(OC(F)F)c(C=NNc2ccccc2C(=O)[O-])c1 ZINC000732924223 575296497 /nfs/dbraw/zinc/29/64/97/575296497.db2.gz UJRYJLRCUNBXNV-UHFFFAOYSA-N -1 0 336.294 3.441 20 30 EGEDRM COc1ccc2[nH]cc(CC/N=C/c3cc([N+](=O)[O-])ccc3[O-])c2c1 ZINC000733081144 575306002 /nfs/dbraw/zinc/30/60/02/575306002.db2.gz OWPYVSPKCJCDHT-VXLYETTFSA-N -1 0 339.351 3.452 20 30 EGEDRM C[C@@H](Oc1cccc(C=NNc2cc(F)c(F)cc2F)c1)C(=O)[O-] ZINC000734302876 575463945 /nfs/dbraw/zinc/46/39/45/575463945.db2.gz SYOWODAPMWPZDJ-SECBINFHSA-N -1 0 338.285 3.402 20 30 EGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)c1cnn2ccccc12 ZINC000735203106 575621055 /nfs/dbraw/zinc/62/10/55/575621055.db2.gz AIBHMHCRJFPILB-AWEZNQCLSA-N -1 0 342.358 3.329 20 30 EGEDRM Cc1cc(C)cc(C(C)N=Nc2oc(C(C)C)nc2-c2nnn[n-]2)c1 ZINC000735450782 575659099 /nfs/dbraw/zinc/65/90/99/575659099.db2.gz DEGXAMZMIJWRRJ-UHFFFAOYSA-N -1 0 339.403 3.431 20 30 EGEDRM C=C(C)CN(CC)C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC000736095024 575898738 /nfs/dbraw/zinc/89/87/38/575898738.db2.gz FBURNLFUYPCXLK-UHFFFAOYSA-N -1 0 331.416 3.415 20 30 EGEDRM C#Cc1ccc(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)cn1 ZINC000736093085 575898763 /nfs/dbraw/zinc/89/87/63/575898763.db2.gz QPVINOCXWHWJLS-UHFFFAOYSA-N -1 0 340.404 3.023 20 30 EGEDRM C=CCCCCCN(C)Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1 ZINC000736098136 575899491 /nfs/dbraw/zinc/89/94/91/575899491.db2.gz SEYIRLSWGAUHTC-UHFFFAOYSA-N -1 0 329.400 3.212 20 30 EGEDRM C=CCOc1ccccc1C(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000736114206 575900776 /nfs/dbraw/zinc/90/07/76/575900776.db2.gz OABVDAYXYYLBCP-INIZCTEOSA-N -1 0 330.311 3.373 20 30 EGEDRM C=CCn1c2ccccc2n(CN2CCC[C@H](C(=O)[O-])C2)c1=S ZINC000736118543 575901325 /nfs/dbraw/zinc/90/13/25/575901325.db2.gz VPRPUQNZQGYEMZ-ZDUSSCGKSA-N -1 0 331.441 3.112 20 30 EGEDRM C=CCn1c2ccccc2n(CN2CCC[C@@H](C(=O)[O-])C2)c1=S ZINC000736118541 575901380 /nfs/dbraw/zinc/90/13/80/575901380.db2.gz VPRPUQNZQGYEMZ-CYBMUJFWSA-N -1 0 331.441 3.112 20 30 EGEDRM C=CCn1c(S[C@H](CCCC)C(=O)[O-])nc2ccccc2c1=O ZINC000736118278 575901390 /nfs/dbraw/zinc/90/13/90/575901390.db2.gz SRZJZKMRQCUHIC-CQSZACIVSA-N -1 0 332.425 3.318 20 30 EGEDRM CC(=O)Nc1ccc(N[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1Cl ZINC000736160282 575905857 /nfs/dbraw/zinc/90/58/57/575905857.db2.gz VNOGQKHVCHKIRK-INIZCTEOSA-N -1 0 343.770 3.408 20 30 EGEDRM C[C@H](C#N)CSc1ccccc1NC(=O)CCSCC(=O)[O-] ZINC000736201079 575914342 /nfs/dbraw/zinc/91/43/42/575914342.db2.gz GDYKYPVKUPQKAE-LLVKDONJSA-N -1 0 338.454 3.085 20 30 EGEDRM CC(C)(C(=O)[O-])c1ccc(NC(=O)CCc2ccc(C#N)cc2)cc1 ZINC000736228186 575919261 /nfs/dbraw/zinc/91/92/61/575919261.db2.gz ONMSMJSHNQWDSE-UHFFFAOYSA-N -1 0 336.391 3.492 20 30 EGEDRM CC(C)(NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)C(=O)[O-] ZINC000736338806 575937994 /nfs/dbraw/zinc/93/79/94/575937994.db2.gz DNSUTYHRIQOFTM-UHFFFAOYSA-N -1 0 342.326 3.083 20 30 EGEDRM C[C@@H](CC(=O)[O-])S[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000736553742 575983528 /nfs/dbraw/zinc/98/35/28/575983528.db2.gz UEIIIWYITMZCHS-IUCAKERBSA-N -1 0 338.454 3.032 20 30 EGEDRM C[C@@H](S[C@@H](C)CC(=O)[O-])C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000736553741 575983611 /nfs/dbraw/zinc/98/36/11/575983611.db2.gz UEIIIWYITMZCHS-DTWKUNHWSA-N -1 0 338.454 3.032 20 30 EGEDRM C[C@@H](COc1cccc(C#N)c1)OC(=O)c1cccc(NC(=O)[O-])c1 ZINC000736616534 575989553 /nfs/dbraw/zinc/98/95/53/575989553.db2.gz RQOQBUUKZDKTQE-LBPRGKRZSA-N -1 0 340.335 3.272 20 30 EGEDRM CCOc1ccc(O)c(/C=N/[C@@H](CC(=O)[O-])c2ccc(OC)cc2)c1 ZINC000737203168 576135523 /nfs/dbraw/zinc/13/55/23/576135523.db2.gz JXGDBISSKCUBKO-RONKMWSCSA-N -1 0 343.379 3.434 20 30 EGEDRM CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000737450763 576231500 /nfs/dbraw/zinc/23/15/00/576231500.db2.gz BCHUATJXQWNYAD-UHFFFAOYSA-N -1 0 327.315 3.059 20 30 EGEDRM CN(Cc1nc2ccccc2s1)[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737496913 576238202 /nfs/dbraw/zinc/23/82/02/576238202.db2.gz RFVFSNDMGDXDQH-KRWDZBQOSA-N -1 0 337.404 3.426 20 30 EGEDRM COc1cccc(O)c1/C=N/Cc1ccc(OCCCC(=O)[O-])cc1 ZINC000738106064 576288999 /nfs/dbraw/zinc/28/89/99/576288999.db2.gz IXLNNSDOZZJRIR-DEDYPNTBSA-N -1 0 343.379 3.264 20 30 EGEDRM CSc1ccc([C@H](CC(=O)[O-])/N=C/c2cccc(O)c2O)cc1 ZINC000738198842 576298851 /nfs/dbraw/zinc/29/88/51/576298851.db2.gz GDLHGAKUVLYNKU-XKYMITNMSA-N -1 0 331.393 3.455 20 30 EGEDRM CSc1ccsc1C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000738212037 576300497 /nfs/dbraw/zinc/30/04/97/576300497.db2.gz ZEAYNGRIFFNHHV-GFCCVEGCSA-N -1 0 333.390 3.324 20 30 EGEDRM C[C@H](OC(=O)Cc1ccc(OCC#N)cc1)c1ccc(C(=O)[O-])cc1 ZINC000738227932 576302268 /nfs/dbraw/zinc/30/22/68/576302268.db2.gz JBLXVJKBRUUQBS-ZDUSSCGKSA-N -1 0 339.347 3.134 20 30 EGEDRM Cc1cc(C)c(C#N)c(NCc2ccc(OCCCC(=O)[O-])cc2)n1 ZINC000738351978 576316493 /nfs/dbraw/zinc/31/64/93/576316493.db2.gz QMQCRSFJCHOKCF-UHFFFAOYSA-N -1 0 339.395 3.426 20 30 EGEDRM Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)SC[C@@H](C)C(=O)[O-])c1 ZINC000738363300 576317975 /nfs/dbraw/zinc/31/79/75/576317975.db2.gz DRQMFJMLPWENAV-CABCVRRESA-N -1 0 348.468 3.393 20 30 EGEDRM Cc1ccc([C@H](CNC(=O)Nc2ccc(CC#N)cc2)C(=O)[O-])cc1 ZINC000738561776 576337114 /nfs/dbraw/zinc/33/71/14/576337114.db2.gz REVYVJDBBWOGAQ-KRWDZBQOSA-N -1 0 337.379 3.051 20 30 EGEDRM Cc1ccc(N(CCC#N)C(=O)c2cccc(OCC(=O)[O-])c2)cc1 ZINC000738608386 576341661 /nfs/dbraw/zinc/34/16/61/576341661.db2.gz MEAGTAZYZKSLAV-UHFFFAOYSA-N -1 0 338.363 3.019 20 30 EGEDRM Cc1cccc(C[C@H](CNc2ccc([N+](=O)[O-])cc2C#N)C(=O)[O-])c1 ZINC000738707538 576353395 /nfs/dbraw/zinc/35/33/95/576353395.db2.gz LFMFTRKCZDNDBV-OAHLLOKOSA-N -1 0 339.351 3.130 20 30 EGEDRM N#C[C@H](C(=O)Nc1ccccc1C(=O)[O-])c1nc2ccccc2s1 ZINC000739074476 576376906 /nfs/dbraw/zinc/37/69/06/576376906.db2.gz KCRRCZYTVRZEDB-LLVKDONJSA-N -1 0 337.360 3.240 20 30 EGEDRM N#CC(C(=O)CCNC(=O)[O-])c1nc(-c2ccc(Cl)cc2)cs1 ZINC000739073650 576376921 /nfs/dbraw/zinc/37/69/21/576376921.db2.gz DXEWOVPQPRMQNJ-LLVKDONJSA-N -1 0 349.799 3.297 20 30 EGEDRM N#Cc1ccccc1/C=C\C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000739140638 576379509 /nfs/dbraw/zinc/37/95/09/576379509.db2.gz WKFLZWKENHJMIW-ANGAQGJPSA-N -1 0 334.375 3.294 20 30 EGEDRM N#Cc1ccccc1C=CC(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000739139385 576379521 /nfs/dbraw/zinc/37/95/21/576379521.db2.gz GCSVQMBQHQAIJM-YFHOEESVSA-N -1 0 335.363 3.020 20 30 EGEDRM N#Cc1ccccc1C=CC(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000739140377 576379549 /nfs/dbraw/zinc/37/95/49/576379549.db2.gz SPBXICKOPLSWHS-VMPITWQZSA-N -1 0 325.299 3.439 20 30 EGEDRM O=C([O-])CN1C/C(=C\c2ccsc2)C(=O)/C(=C/c2ccsc2)C1 ZINC000739799446 576506577 /nfs/dbraw/zinc/50/65/77/576506577.db2.gz KPELVQBXQNWZQG-PWSZKDBUSA-N -1 0 345.445 3.246 20 30 EGEDRM O=C([O-])c1ccc(CN=Nc2nc(-c3ccc(Cl)cc3)no2)o1 ZINC000740123885 576551701 /nfs/dbraw/zinc/55/17/01/576551701.db2.gz SCGJSJNJBJYQSP-UHFFFAOYSA-N -1 0 332.703 3.127 20 30 EGEDRM O=C([O-])c1ccc(CON=Cc2c(Cl)nc3ccccn32)cc1 ZINC000740132906 576553167 /nfs/dbraw/zinc/55/31/67/576553167.db2.gz IUZWHRAJBUWFQD-UHFFFAOYSA-N -1 0 329.743 3.237 20 30 EGEDRM N#Cc1ccc(Oc2cccc(NC(=O)CSCC(=O)[O-])c2)cc1 ZINC000740321924 576577122 /nfs/dbraw/zinc/57/71/22/576577122.db2.gz WJCKCGOGPLPALZ-UHFFFAOYSA-N -1 0 342.376 3.107 20 30 EGEDRM C[C@H](C(=O)[O-])N(C)C(=O)c1ccccc1Sc1ccccc1C#N ZINC000817768947 597468244 /nfs/dbraw/zinc/46/82/44/597468244.db2.gz RZSNLHOHWZWGCA-GFCCVEGCSA-N -1 0 340.404 3.255 20 30 EGEDRM CN1C(=O)CCc2cc(C(=O)/C=C/c3cccc(C(=O)[O-])c3)ccc21 ZINC000126491529 598201627 /nfs/dbraw/zinc/20/16/27/598201627.db2.gz CQYXRRAPMCMVNX-WEVVVXLNSA-N -1 0 335.359 3.190 20 30 EGEDRM CC[C@@H]1CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC[C@@H]1c1ccccc1 ZINC000820297270 598229247 /nfs/dbraw/zinc/22/92/47/598229247.db2.gz QYVFJMWZXKMFCM-SIXWZSSISA-N -1 0 328.412 3.033 20 30 EGEDRM C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(CC)CCC(=O)[O-] ZINC000237059676 600524082 /nfs/dbraw/zinc/52/40/82/600524082.db2.gz NFNFJPHGSPOIFI-UHFFFAOYSA-N -1 0 345.317 3.207 20 30 EGEDRM Cc1cc(CN=Nc2cccc(F)c2F)cc(C)c1OCC(=O)[O-] ZINC000832882140 600724205 /nfs/dbraw/zinc/72/42/05/600724205.db2.gz ZOPNVYJBGJMABJ-UHFFFAOYSA-N -1 0 334.322 3.491 20 30 EGEDRM C#CCOc1cc(F)ccc1NC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000825626283 601007128 /nfs/dbraw/zinc/00/71/28/601007128.db2.gz ZDSWITVIIBGKGT-UHFFFAOYSA-N -1 0 328.299 3.180 20 30 EGEDRM CCc1ccc(N2CCN([C@@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)cc1 ZINC000830253587 601038759 /nfs/dbraw/zinc/03/87/59/601038759.db2.gz HGRFDCSKFJPHKW-HXUWFJFHSA-N -1 0 349.434 3.069 20 30 EGEDRM CC(C)(C#N)C(=O)OCc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000826071447 601111537 /nfs/dbraw/zinc/11/15/37/601111537.db2.gz LZCWRDLCGHQIDH-UHFFFAOYSA-N -1 0 330.365 3.101 20 30 EGEDRM N#Cc1c(NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)sc2c1CCCC2 ZINC000833067911 601146593 /nfs/dbraw/zinc/14/65/93/601146593.db2.gz IVIOEXAMPVIHMA-QWRGUYRKSA-N -1 0 332.425 3.328 20 30 EGEDRM N#Cc1c(NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)sc2c1CCCC2 ZINC000833067899 601146656 /nfs/dbraw/zinc/14/66/56/601146656.db2.gz IVIOEXAMPVIHMA-GHMZBOCLSA-N -1 0 332.425 3.328 20 30 EGEDRM C[C@H](C(=O)[O-])[C@@H](NC(=O)/C=C\c1ccccc1C#N)c1ccccc1 ZINC000826027532 601170007 /nfs/dbraw/zinc/17/00/07/601170007.db2.gz XHDABQJNCVJHBY-KZUGXZLUSA-N -1 0 334.375 3.150 20 30 EGEDRM C=CCCCCCN(C)S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000825671277 601249560 /nfs/dbraw/zinc/24/95/60/601249560.db2.gz KDTLFMYESFMUJY-JLHYYAGUSA-N -1 0 337.441 3.151 20 30 EGEDRM CCC1CCC(NC(=O)CSc2ccc(C#N)cc2)(C(=O)[O-])CC1 ZINC000829089859 601275219 /nfs/dbraw/zinc/27/52/19/601275219.db2.gz PDEFIIYNTHYQMZ-UHFFFAOYSA-N -1 0 346.452 3.190 20 30 EGEDRM CCC1CCC(NC(=O)/C=C\c2ccccc2C#N)(C(=O)[O-])CC1 ZINC000829085957 601276323 /nfs/dbraw/zinc/27/63/23/601276323.db2.gz CXJJHPWQPRNACF-FPLPWBNLSA-N -1 0 326.396 3.111 20 30 EGEDRM CN(Cc1ccn(-c2ccccc2)n1)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830865171 601311652 /nfs/dbraw/zinc/31/16/52/601311652.db2.gz KLJPSRHKMMYCEX-LJQANCHMSA-N -1 0 346.390 3.002 20 30 EGEDRM Cc1ccc2cc(C(=O)O[C@@H](C(=O)[O-])c3cccc(C#N)c3)[nH]c2c1 ZINC000832961736 601343507 /nfs/dbraw/zinc/34/35/07/601343507.db2.gz ASUGTWSCNBXZJD-QGZVFWFLSA-N -1 0 334.331 3.331 20 30 EGEDRM Cc1ccc2c(c1)[nH]cc2C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832959647 601350203 /nfs/dbraw/zinc/35/02/03/601350203.db2.gz IERWGRCPNXZWTL-KRWDZBQOSA-N -1 0 334.331 3.331 20 30 EGEDRM N#Cc1cccc([C@@H](OC(=O)c2ccc3ncccc3c2)C(=O)[O-])c1 ZINC000833075510 601351267 /nfs/dbraw/zinc/35/12/67/601351267.db2.gz BXSZRVNABHXUID-QGZVFWFLSA-N -1 0 332.315 3.089 20 30 EGEDRM CS[C@H](C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1ccccc1 ZINC000832735924 601353815 /nfs/dbraw/zinc/35/38/15/601353815.db2.gz MUJBRXVZXWTEBR-CVEARBPZSA-N -1 0 341.388 3.331 20 30 EGEDRM O=C([O-])[C@H]1CN(CC#Cc2ccc(Cl)cc2)c2ccccc2O1 ZINC000833192849 601413067 /nfs/dbraw/zinc/41/30/67/601413067.db2.gz WIVZCPUAWWWACZ-QGZVFWFLSA-N -1 0 327.767 3.044 20 30 EGEDRM N#Cc1csc(C(=O)Nc2nc(-c3c[nH]c(C(=O)[O-])c3)cs2)c1 ZINC000833079614 601531519 /nfs/dbraw/zinc/53/15/19/601531519.db2.gz YFTWZICPLHGXPT-UHFFFAOYSA-N -1 0 344.377 3.022 20 30 EGEDRM C#CCN(C(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1)C1CCCCC1 ZINC000262217964 601535901 /nfs/dbraw/zinc/53/59/01/601535901.db2.gz UZKLQYLQKYBKDH-UHFFFAOYSA-N -1 0 343.423 3.175 20 30 EGEDRM C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](CC(=O)[O-])C1CC1 ZINC000825966485 601624122 /nfs/dbraw/zinc/62/41/22/601624122.db2.gz FDLPUZKQRNFJFD-BXUZGUMPSA-N -1 0 347.440 3.313 20 30 EGEDRM COC(=O)c1cc(CON=Cc2ccc(C(=O)[O-])cc2)c(C)s1 ZINC000831247658 601628705 /nfs/dbraw/zinc/62/87/05/601628705.db2.gz DGMPXUSHCASRPW-UHFFFAOYSA-N -1 0 333.365 3.092 20 30 EGEDRM Cc1sc(NC(=O)c2c(F)cc(C#N)cc2F)c(C(=O)[O-])c1C ZINC000833035980 601644944 /nfs/dbraw/zinc/64/49/44/601644944.db2.gz GDOPNUYUQUDKCH-UHFFFAOYSA-N -1 0 336.319 3.465 20 30 EGEDRM O=C([O-])C[C@H](NC(=O)C#Cc1ccccc1)c1ccc(Cl)cc1 ZINC000833264879 601733756 /nfs/dbraw/zinc/73/37/56/601733756.db2.gz MESMKFYUYPJCMQ-INIZCTEOSA-N -1 0 327.767 3.024 20 30 EGEDRM COc1cccc2c1C/C(=C/c1ccc(O[C@@H](C)C(=O)[O-])cc1)C2=O ZINC000794699767 601850430 /nfs/dbraw/zinc/85/04/30/601850430.db2.gz CIKUJWKRYBYIJL-GVIGZQTCSA-N -1 0 338.359 3.370 20 30 EGEDRM C=CCn1c(=O)[nH]nc1SCc1c2ccccc2sc1C(=O)[O-] ZINC000825711032 601863156 /nfs/dbraw/zinc/86/31/56/601863156.db2.gz MCEGUDHILLQTIC-UHFFFAOYSA-N -1 0 347.421 3.375 20 30 EGEDRM Cc1cc(NCC(=O)N(CCC#N)c2ccccc2)ccc1C(=O)[O-] ZINC000832897431 601909418 /nfs/dbraw/zinc/90/94/18/601909418.db2.gz YQJIDXDPXCEVSA-UHFFFAOYSA-N -1 0 337.379 3.052 20 30 EGEDRM N#CCc1ccc(NC(=O)N[C@H]2CCCCCC[C@@H]2C(=O)[O-])cc1 ZINC000833069212 602028770 /nfs/dbraw/zinc/02/87/70/602028770.db2.gz PSIQQQKDZURYOU-HOTGVXAUSA-N -1 0 329.400 3.298 20 30 EGEDRM CCc1nnc(Nc2ccc(OCCC(=O)[O-])cc2)c(C#N)c1CC ZINC000830335906 602099180 /nfs/dbraw/zinc/09/91/80/602099180.db2.gz ZRPVCTHNCZXBNR-UHFFFAOYSA-N -1 0 340.383 3.070 20 30 EGEDRM N#Cc1cc(COC(=O)CCc2ccc(C(=O)[O-])cc2)ccc1F ZINC000833068995 602267854 /nfs/dbraw/zinc/26/78/54/602267854.db2.gz RHGVELPFAONYRA-UHFFFAOYSA-N -1 0 327.311 3.072 20 30 EGEDRM N#Cc1ccc(-c2nnc(CNc3ccc(C(=O)[O-])c(F)c3)o2)cc1 ZINC000833070801 602302743 /nfs/dbraw/zinc/30/27/43/602302743.db2.gz TXELEQCZUTZECI-UHFFFAOYSA-N -1 0 338.298 3.058 20 30 EGEDRM C[C@@H](NC(=O)Nc1ccc(C(=O)[O-])c(F)c1)c1ccc(C#N)cc1 ZINC000827671871 602381487 /nfs/dbraw/zinc/38/14/87/602381487.db2.gz MOTXCQXRHNWWAB-SNVBAGLBSA-N -1 0 327.315 3.278 20 30 EGEDRM N#CCn1c(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)cc2ccccc21 ZINC000833068801 602403230 /nfs/dbraw/zinc/40/32/30/602403230.db2.gz DNNGNGKVRCYVLN-UHFFFAOYSA-N -1 0 337.310 3.254 20 30 EGEDRM CC(C)(CC(=O)[O-])CC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000833450979 604507129 /nfs/dbraw/zinc/50/71/29/604507129.db2.gz HEWYJYUNDNTGPV-UHFFFAOYSA-N -1 0 326.396 3.065 20 30 EGEDRM Cc1c(C#N)cccc1NC(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000832850043 604555696 /nfs/dbraw/zinc/55/56/96/604555696.db2.gz YUVSPRZRQRWNGY-INIZCTEOSA-N -1 0 341.342 3.343 20 30 EGEDRM Cc1c(C#N)cccc1NC(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000832849626 604557530 /nfs/dbraw/zinc/55/75/30/604557530.db2.gz MGIBTMMJCCOENJ-GUYCJALGSA-N -1 0 337.379 3.450 20 30 EGEDRM Cc1c(C#N)cccc1NC(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC000832849613 604557534 /nfs/dbraw/zinc/55/75/34/604557534.db2.gz LUGLVDYJQHFLAX-ZDUSSCGKSA-N -1 0 329.381 3.266 20 30 EGEDRM COc1cc(/C=C\C(=O)c2ccc(C(=O)[O-])cc2)cc(OC)c1OC ZINC000831975713 604630177 /nfs/dbraw/zinc/63/01/77/604630177.db2.gz IHUNCSFEZGOBOB-WTKPLQERSA-N -1 0 342.347 3.307 20 30 EGEDRM CC(N=Nc1nc(-c2ccncc2)no1)[C@@H](C)CCCCC(=O)[O-] ZINC000814827596 604638888 /nfs/dbraw/zinc/63/88/88/604638888.db2.gz QPUUCVFKOKHIRX-NSHDSACASA-N -1 0 331.376 3.201 20 30 EGEDRM C=C[C@H](CC(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21)c1ccccc1 ZINC000833371677 604679245 /nfs/dbraw/zinc/67/92/45/604679245.db2.gz UUSJTDFYARWVMI-RDTXWAMCSA-N -1 0 337.375 3.225 20 30 EGEDRM Cc1ccccc1Sc1ccc(C(=O)N(CC#N)CC(=O)[O-])cc1 ZINC000832981972 604827483 /nfs/dbraw/zinc/82/74/83/604827483.db2.gz RWKAPWOJNKSEEE-UHFFFAOYSA-N -1 0 340.404 3.197 20 30 EGEDRM C[C@H](CC#N)NN=Cc1ccc(OCc2ccc(C(=O)[O-])cc2)cc1 ZINC000827217192 604984032 /nfs/dbraw/zinc/98/40/32/604984032.db2.gz AEDWNRIZUONODK-CQSZACIVSA-N -1 0 337.379 3.189 20 30 EGEDRM C=CCOc1ccc(-c2nnc(S[C@H](C(=O)[O-])C3CC3)o2)cc1 ZINC000833378138 605072113 /nfs/dbraw/zinc/07/21/13/605072113.db2.gz YJFQTGYUQJZZNC-ZDUSSCGKSA-N -1 0 332.381 3.257 20 30 EGEDRM C#CCOc1ccccc1[C@H](C)OC(=O)C1CCC(C(=O)[O-])CC1 ZINC000833367392 605116497 /nfs/dbraw/zinc/11/64/97/605116497.db2.gz XEGMFVRLDDCSET-NFOMZHRRSA-N -1 0 330.380 3.194 20 30 EGEDRM CC(C)(C)OC(=O)NCCCN=Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000833442936 605157085 /nfs/dbraw/zinc/15/70/85/605157085.db2.gz RZOTWANYMCMNBV-UHFFFAOYSA-N -1 0 341.795 3.351 20 30 EGEDRM C=CCOc1cccc(NS(=O)(=O)c2ccc(C)cc2C(=O)[O-])c1 ZINC000833379109 605184665 /nfs/dbraw/zinc/18/46/65/605184665.db2.gz ZZBIPLBGTKCERQ-UHFFFAOYSA-N -1 0 347.392 3.059 20 30 EGEDRM CC(C)(CNC(=O)c1ccccc1Oc1ccccc1C#N)C(=O)[O-] ZINC000833458816 605296615 /nfs/dbraw/zinc/29/66/15/605296615.db2.gz DRVOGQAIXIUXNL-UHFFFAOYSA-N -1 0 338.363 3.191 20 30 EGEDRM C[C@@H](Oc1ccccc1C#N)C(=O)OCc1ccc(NC(=O)[O-])cc1 ZINC000833540655 605304996 /nfs/dbraw/zinc/30/49/96/605304996.db2.gz OEDXBJOLNSPSHM-GFCCVEGCSA-N -1 0 340.335 3.159 20 30 EGEDRM C[C@@H](C#N)Oc1ccccc1NCc1ccc(OCC(=O)[O-])cc1 ZINC000833402477 605309601 /nfs/dbraw/zinc/30/96/01/605309601.db2.gz NOLQPLMZYQLHLL-ZDUSSCGKSA-N -1 0 326.352 3.053 20 30 EGEDRM CCOc1ccc(O)c(/C=N\Cc2ccc(C(=O)[O-])c(C3CC3)n2)c1 ZINC000833662886 605574595 /nfs/dbraw/zinc/57/45/95/605574595.db2.gz LNOQOBJKUJKUCP-JMIUGGIZSA-N -1 0 340.379 3.381 20 30 EGEDRM COc1ccc(O)cc1C(=O)/C=C/c1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC000794709931 605575365 /nfs/dbraw/zinc/57/53/65/605575365.db2.gz DQLUZHKJVIFFEM-BIPYJSMBSA-N -1 0 342.347 3.149 20 30 EGEDRM CC(=NN[C@@H]1CCO[C@H](C)C1)c1cnc2sc(C(=O)[O-])c(C)c2c1 ZINC000833386448 605580673 /nfs/dbraw/zinc/58/06/73/605580673.db2.gz GKUIDWCKVWHDAS-NOZJJQNGSA-N -1 0 347.440 3.184 20 30 EGEDRM Cc1ccc([C@@H](O)C/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC000032075107 1291376476 /nfs/dbraw/zinc/37/64/76/1291376476.db2.gz RXLQMBFIKYTULI-AOVQIXHVSA-N -1 0 334.759 3.415 20 30 EGEDRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)c1cc(Cl)cc(Cl)c1 ZINC000042291334 1291439327 /nfs/dbraw/zinc/43/93/27/1291439327.db2.gz ZZDPLQRBVKXQNY-UHFFFAOYSA-N -1 0 349.195 3.292 20 30 EGEDRM N#CCOc1ccc(NC(=O)c2ccc(Br)cc2[O-])cc1 ZINC000044483899 1291488184 /nfs/dbraw/zinc/48/81/84/1291488184.db2.gz ZPULCCQWGPSOFS-UHFFFAOYSA-N -1 0 347.168 3.309 20 30 EGEDRM O=C(CCc1ccc(F)cc1)[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC000045099897 1291505352 /nfs/dbraw/zinc/50/53/52/1291505352.db2.gz RFERNTMIXNSJIH-UHFFFAOYSA-N -1 0 339.363 3.384 20 30 EGEDRM CC(=O)c1cccc(S(=O)(=O)[N-]C(=O)c2ccc(C)c(C)c2)c1 ZINC000045098062 1291505709 /nfs/dbraw/zinc/50/57/09/1291505709.db2.gz NUNIJQXOPJNXNH-UHFFFAOYSA-N -1 0 331.393 3.200 20 30 EGEDRM O=C(Cc1cccc(F)c1)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000046708946 1291552029 /nfs/dbraw/zinc/55/20/29/1291552029.db2.gz INCUZEPTVCLGFE-UHFFFAOYSA-N -1 0 327.764 3.367 20 30 EGEDRM CC[C@H](C(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000048418545 1291604314 /nfs/dbraw/zinc/60/43/14/1291604314.db2.gz JNLYOQJJLSDJMZ-HNNXBMFYSA-N -1 0 348.380 3.434 20 30 EGEDRM O=C(Cc1ccc(OC(F)F)cc1)[N-]S(=O)(=O)c1cccs1 ZINC000048428034 1291604688 /nfs/dbraw/zinc/60/46/88/1291604688.db2.gz GYVWAPSRRVIFFP-UHFFFAOYSA-N -1 0 347.364 3.237 20 30 EGEDRM N#CCc1cccc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000048418362 1291604697 /nfs/dbraw/zinc/60/46/97/1291604697.db2.gz KXQPUKXYIBXKRM-UHFFFAOYSA-N -1 0 334.784 3.100 20 30 EGEDRM CCCCCc1ccc(C(=O)CCC(=O)[N-]S(C)(=O)=O)cc1 ZINC000048479107 1291606496 /nfs/dbraw/zinc/60/64/96/1291606496.db2.gz ZMPYIEIGSJRMQZ-UHFFFAOYSA-N -1 0 325.430 3.298 20 30 EGEDRM CS(=O)(=O)[N-]C(=O)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000048480226 1291606794 /nfs/dbraw/zinc/60/67/94/1291606794.db2.gz MKLXPUITXDWGNS-UHFFFAOYSA-N -1 0 342.376 3.273 20 30 EGEDRM COc1cc(CC(=O)[N-]S(=O)(=O)c2ccccc2F)ccc1C ZINC000048592507 1291612405 /nfs/dbraw/zinc/61/24/05/1291612405.db2.gz DKYBDUMQJRTWGS-UHFFFAOYSA-N -1 0 337.372 3.031 20 30 EGEDRM Cc1ccc(O[C@@H](C)C(=O)[N-]S(=O)(=O)c2ccccc2F)cc1 ZINC000048588869 1291612790 /nfs/dbraw/zinc/61/27/90/1291612790.db2.gz QUARBOSTZBZHQT-LBPRGKRZSA-N -1 0 337.372 3.247 20 30 EGEDRM CN(Cc1ccccc1)S(=O)(=O)[N-]C(=O)c1ccccc1Cl ZINC000048676821 1291616371 /nfs/dbraw/zinc/61/63/71/1291616371.db2.gz KLNHZOPTLRCZIL-UHFFFAOYSA-N -1 0 338.816 3.021 20 30 EGEDRM O=C(CCc1ccsc1)[N-]S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000058149870 1291881586 /nfs/dbraw/zinc/88/15/86/1291881586.db2.gz GZDQRHZJUGGRQC-UHFFFAOYSA-N -1 0 344.845 3.216 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])c(/C=N/Cc2ccc(-n3ccnc3)c(F)c2)c1 ZINC000063427635 1292007674 /nfs/dbraw/zinc/00/76/74/1292007674.db2.gz XQGKBWFLCMTDEU-KEBDBYFISA-N -1 0 340.314 3.244 20 30 EGEDRM CCn1nc(C)c(C(=O)/C=C/c2cc(OC)c([O-])c([N+](=O)[O-])c2)c1C ZINC000065722728 1292090524 /nfs/dbraw/zinc/09/05/24/1292090524.db2.gz AAMDVUBYZVDVHM-VOTSOKGWSA-N -1 0 345.355 3.038 20 30 EGEDRM CCO[C@@H](CC)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000066004123 1292103490 /nfs/dbraw/zinc/10/34/90/1292103490.db2.gz SQHCGMBIZRFPIO-HNNXBMFYSA-N -1 0 325.430 3.026 20 30 EGEDRM CCO[C@@H](CC)C(=O)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000066003704 1292104009 /nfs/dbraw/zinc/10/40/09/1292104009.db2.gz WCUPNEDZKUDJPI-JTQLQIEISA-N -1 0 339.335 3.166 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2COc3ccccc32)c(C)c1 ZINC000073086935 1292305301 /nfs/dbraw/zinc/30/53/01/1292305301.db2.gz KINSTGMDAPLNGD-AWEZNQCLSA-N -1 0 331.393 3.125 20 30 EGEDRM CC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C)cc1Br ZINC000075040528 1292380077 /nfs/dbraw/zinc/38/00/77/1292380077.db2.gz RONXIDCOWVZTNN-SECBINFHSA-N -1 0 334.235 3.449 20 30 EGEDRM O=C([N-]S(=O)(=O)Cc1ccc(F)cc1)c1cccc(F)c1Cl ZINC000076762870 1292441206 /nfs/dbraw/zinc/44/12/06/1292441206.db2.gz CDAQQEYXCIGTGK-UHFFFAOYSA-N -1 0 345.754 3.453 20 30 EGEDRM O=C(Cc1cc(F)ccc1F)[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC000076762903 1292441842 /nfs/dbraw/zinc/44/18/42/1292441842.db2.gz BZORXLTZISTKEX-UHFFFAOYSA-N -1 0 343.326 3.133 20 30 EGEDRM O=C([N-]S(=O)(=O)N1CCCC1)C1CCC(c2ccccc2)CC1 ZINC000076877608 1292447812 /nfs/dbraw/zinc/44/78/12/1292447812.db2.gz OZVPOKBKOJMERG-UHFFFAOYSA-N -1 0 336.457 3.258 20 30 EGEDRM CC(C)(C(=O)[N-]S(=O)(=O)N1CCCCC1)c1cccc(Cl)c1 ZINC000078834839 1292530128 /nfs/dbraw/zinc/53/01/28/1292530128.db2.gz RVCWEEYSUVISQD-UHFFFAOYSA-N -1 0 344.864 3.305 20 30 EGEDRM Cc1cscc1C(=O)[N-]S(=O)(=O)N1CCCc2ccccc21 ZINC000079150583 1292543958 /nfs/dbraw/zinc/54/39/58/1292543958.db2.gz PCJKWMYVCLJCOH-UHFFFAOYSA-N -1 0 336.438 3.059 20 30 EGEDRM Cc1cccc(OCCC(=O)[N-]S(=O)(=O)C2CCCC2)c1C ZINC000086054314 1292727668 /nfs/dbraw/zinc/72/76/68/1292727668.db2.gz JJVVOUVUONUUFF-UHFFFAOYSA-N -1 0 325.430 3.301 20 30 EGEDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000088799629 1292756193 /nfs/dbraw/zinc/75/61/93/1292756193.db2.gz IDDIZCBILUIZMR-UHFFFAOYSA-N -1 0 348.380 3.181 20 30 EGEDRM O=C(Cc1ccc(F)cc1F)[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC000088800531 1292756653 /nfs/dbraw/zinc/75/66/53/1292756653.db2.gz OVXBKBCSWAQAMZ-UHFFFAOYSA-N -1 0 343.326 3.133 20 30 EGEDRM CC(C)Oc1ccc(S(=O)(=O)[N-]C(=O)c2cccc(C#N)c2)cc1 ZINC000091127331 1292822619 /nfs/dbraw/zinc/82/26/19/1292822619.db2.gz PTXMWPVROTUPHS-UHFFFAOYSA-N -1 0 344.392 3.039 20 30 EGEDRM CC[C@H](CC(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)C(C)C ZINC000107022658 1293057805 /nfs/dbraw/zinc/05/78/05/1293057805.db2.gz XZHPLFBLPOUJIP-LLVKDONJSA-N -1 0 342.848 3.089 20 30 EGEDRM C#CCOc1cccc([N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000108249992 1293078652 /nfs/dbraw/zinc/07/86/52/1293078652.db2.gz QLNDGVZRCIJIEY-UHFFFAOYSA-N -1 0 327.814 3.214 20 30 EGEDRM C[C@@H](/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-])C(=O)Nc1ccccc1 ZINC000111998030 1293115599 /nfs/dbraw/zinc/11/55/99/1293115599.db2.gz OFXODCKWLWQPDA-SVXRXWARSA-N -1 0 347.758 3.400 20 30 EGEDRM Cc1nnc(N=NC2CCC[C@H]2Cc2ccc(Cl)cc2)[n-]c1=O ZINC000834924986 1293176975 /nfs/dbraw/zinc/17/69/75/1293176975.db2.gz HPXKRIOYPQYNBT-LBPRGKRZSA-N -1 0 331.807 3.350 20 30 EGEDRM CC(CCc1ccc(OCCC(=O)[O-])cc1)=NN[C@@H]1CCOC1(C)C ZINC000835022382 1293189341 /nfs/dbraw/zinc/18/93/41/1293189341.db2.gz ZZRBMTDVPUYFSP-QGZVFWFLSA-N -1 0 348.443 3.006 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cc2ccncc2s1 ZINC000835056104 1293194880 /nfs/dbraw/zinc/19/48/80/1293194880.db2.gz CGKQWPVRNNBMBF-CYBMUJFWSA-N -1 0 329.425 3.315 20 30 EGEDRM C=CCCC(=O)[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000117105891 1293215822 /nfs/dbraw/zinc/21/58/22/1293215822.db2.gz GEIVFVLIXYSOJL-UHFFFAOYSA-N -1 0 341.738 3.130 20 30 EGEDRM C=CCC1(C(=O)[N-]S(=O)(=O)c2cc(C)cc(F)c2)CCCC1 ZINC000835221395 1293236887 /nfs/dbraw/zinc/23/68/87/1293236887.db2.gz XCPCVHLKLDIFNG-UHFFFAOYSA-N -1 0 325.405 3.076 20 30 EGEDRM C[C@@H](c1ccc(C([O-])=C(C#N)C(=O)c2nccn2C)cc1)C(F)(F)F ZINC000835234497 1293239418 /nfs/dbraw/zinc/23/94/18/1293239418.db2.gz CECNURSCZOCAMZ-GWCFXTLKSA-N -1 0 349.312 3.291 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2csc(-c3ccccn3)n2)n1 ZINC000120713604 1293334989 /nfs/dbraw/zinc/33/49/89/1293334989.db2.gz ZCVVOUWBSKIEQB-JTQLQIEISA-N -1 0 326.406 3.460 20 30 EGEDRM Cc1ccc(SCCC(=O)C(C#N)=C([O-])c2nccn2C)cc1C ZINC000122676624 1293421081 /nfs/dbraw/zinc/42/10/81/1293421081.db2.gz ITVHAJISWAJSKO-OAHLLOKOSA-N -1 0 341.436 3.111 20 30 EGEDRM Cc1cc(CCCC(=O)C(C#N)=C([O-])c2nccn2C)c(C)s1 ZINC000122734716 1293422765 /nfs/dbraw/zinc/42/27/65/1293422765.db2.gz ICRCHVIJLCBUAF-CQSZACIVSA-N -1 0 329.425 3.013 20 30 EGEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc(Oc2ccccc2)cc1 ZINC000122844737 1293426012 /nfs/dbraw/zinc/42/60/12/1293426012.db2.gz IKKBGPBZBFQREH-QGZVFWFLSA-N -1 0 345.358 3.418 20 30 EGEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)CCSc1ccc(Cl)cc1 ZINC000123269740 1293438635 /nfs/dbraw/zinc/43/86/35/1293438635.db2.gz HWQRLAYYTYRYBO-CYBMUJFWSA-N -1 0 347.827 3.147 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2cc(N(C)C)ccc2C#N)cc1C ZINC000123999159 1293462950 /nfs/dbraw/zinc/46/29/50/1293462950.db2.gz LPJQMEQBBYLJEK-UHFFFAOYSA-N -1 0 329.425 3.042 20 30 EGEDRM Cc1c(C([O-])=C(C#N)C(=O)N2CCCC2)sc2cccc(F)c12 ZINC000124576050 1293480236 /nfs/dbraw/zinc/48/02/36/1293480236.db2.gz JTNRGNZQBUILQJ-LLVKDONJSA-N -1 0 330.384 3.294 20 30 EGEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1cncc(-c2ccccc2)c1 ZINC000124601246 1293480242 /nfs/dbraw/zinc/48/02/42/1293480242.db2.gz ITMXPIIOEJNONX-GOSISDBHSA-N -1 0 333.391 3.130 20 30 EGEDRM N#CC(C(=O)NC1CC1)=C([O-])c1ccc(C2SCCCS2)cc1 ZINC000129247366 1293617922 /nfs/dbraw/zinc/61/79/22/1293617922.db2.gz RZRADWROLXJXBN-CQSZACIVSA-N -1 0 346.477 3.156 20 30 EGEDRM CCCCCCOc1ccc(C([O-])=C(C#N)C(=O)NC(C)C)cc1 ZINC000130820310 1293669981 /nfs/dbraw/zinc/66/99/81/1293669981.db2.gz AHWJBXWYENHBKE-QGZVFWFLSA-N -1 0 330.428 3.493 20 30 EGEDRM C=CCC(CC=C)C(=O)[N-]S(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000151099775 1293907527 /nfs/dbraw/zinc/90/75/27/1293907527.db2.gz KLEPLGISZAOGAI-UHFFFAOYSA-N -1 0 335.469 3.494 20 30 EGEDRM CCN(C(C)=O)c1nc(/C=C/C(=O)c2ccc(C)cc2[O-])cs1 ZINC000156709444 1294156183 /nfs/dbraw/zinc/15/61/83/1294156183.db2.gz WQPCDBDSBMBFGG-SOFGYWHQSA-N -1 0 330.409 3.426 20 30 EGEDRM C#Cc1cccc([N-]S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c1 ZINC000161407948 1294292356 /nfs/dbraw/zinc/29/23/56/1294292356.db2.gz NUYFXYHSYQFNFM-UHFFFAOYSA-N -1 0 347.264 3.164 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(OC(C)(C)C)cc1 ZINC000176016786 1294584901 /nfs/dbraw/zinc/58/49/01/1294584901.db2.gz YIJCPTGNBWOWLX-MRXNPFEDSA-N -1 0 330.428 3.493 20 30 EGEDRM CC(=CC(=O)C(C#N)=C([O-])c1nccn1C)c1ccccc1Cl ZINC000178475077 1294736908 /nfs/dbraw/zinc/73/69/08/1294736908.db2.gz RDXLNLOSNFPNGK-STRFDMGBSA-N -1 0 327.771 3.069 20 30 EGEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc(-c2ccccc2)s1 ZINC000178475436 1294737292 /nfs/dbraw/zinc/73/72/92/1294737292.db2.gz PEDWZXJRERRNJT-ZDUSSCGKSA-N -1 0 335.388 3.354 20 30 EGEDRM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2O[C@H](C)C#N)cc1 ZINC000183133452 1295101388 /nfs/dbraw/zinc/10/13/88/1295101388.db2.gz AJSNNXBFSCMGSV-CYBMUJFWSA-N -1 0 346.408 3.177 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)c1cccc(COc2cccc(F)c2)c1 ZINC000191256823 1295661649 /nfs/dbraw/zinc/66/16/49/1295661649.db2.gz PSMRPPDGFZDRFR-UHFFFAOYSA-N -1 0 343.354 3.118 20 30 EGEDRM O=C(/C=C/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cc(F)ccc1[O-] ZINC000193047492 1295830351 /nfs/dbraw/zinc/83/03/51/1295830351.db2.gz HRECXYOHXPLCBE-GORDUTHDSA-N -1 0 332.243 3.244 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cc(C2CC2)n(C(C)(C)C)n1 ZINC000193382727 1295860352 /nfs/dbraw/zinc/86/03/52/1295860352.db2.gz IJAAUCXCKPATQX-CQSZACIVSA-N -1 0 344.459 3.144 20 30 EGEDRM C[C@@H](Oc1cccc(/C=C\C(=O)c2cccc([N+](=O)[O-])c2)c1)C(=O)[O-] ZINC000208113577 1296098642 /nfs/dbraw/zinc/09/86/42/1296098642.db2.gz PMTUZFHNQKGCOR-JLVNDZCYSA-N -1 0 341.319 3.343 20 30 EGEDRM COc1cc(/C=C\C(=O)c2ccc(F)cc2)ccc1OCC(=O)[O-] ZINC000211740557 1296105458 /nfs/dbraw/zinc/10/54/58/1296105458.db2.gz FKSMCFBKCUYTPS-WAPJZHGLSA-N -1 0 330.311 3.194 20 30 EGEDRM CC(=O)Nc1cccc(C(=O)/C=C\c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000211778294 1296105723 /nfs/dbraw/zinc/10/57/23/1296105723.db2.gz RIAXZQYAWIANSU-ALCCZGGFSA-N -1 0 326.308 3.155 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2cccc(OC3CCCC3)c2)C(=O)O1 ZINC000254950664 1296481997 /nfs/dbraw/zinc/48/19/97/1296481997.db2.gz NTYFKUQCRWGTGF-VJIACCKLSA-N -1 0 340.375 3.236 20 30 EGEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N\CCc2nc3ccccc3[nH]2)c1[O-] ZINC000255150084 1296504816 /nfs/dbraw/zinc/50/48/16/1296504816.db2.gz SOHLNMPQHNUWHH-NVMNQCDNSA-N -1 0 344.758 3.492 20 30 EGEDRM O=C([O-])COc1cccc(C(=O)/C=C\c2cc(F)c(F)cc2F)c1 ZINC000255263761 1296512393 /nfs/dbraw/zinc/51/23/93/1296512393.db2.gz QXCWDCDCZMGTRF-PLNGDYQASA-N -1 0 336.265 3.463 20 30 EGEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N\C[C@@H](O)C2CCCCC2)c1[O-] ZINC000255338714 1296521212 /nfs/dbraw/zinc/52/12/12/1296521212.db2.gz YBYHGVSGUUXUPJ-XPGOGFAUSA-N -1 0 326.780 3.314 20 30 EGEDRM CCCCCCCS(=O)(=O)[N-]c1nnc([C@@H]2CCCO2)s1 ZINC000872010270 1296651707 /nfs/dbraw/zinc/65/17/07/1296651707.db2.gz LPOFBOBFEKBFRS-NSHDSACASA-N -1 0 333.479 3.102 20 30 EGEDRM C[C@]1(C(=O)[O-])CCN(c2c(C#N)cnc3ccc(OC(F)F)cc32)C1 ZINC000263381826 1296679366 /nfs/dbraw/zinc/67/93/66/1296679366.db2.gz CQWXZKRMLDFNFR-KRWDZBQOSA-N -1 0 347.321 3.009 20 30 EGEDRM CC(C)C[C@@](C)(CC(=O)[O-])C(=O)Nc1ccc(F)cc1OCC#N ZINC000872855224 1297143958 /nfs/dbraw/zinc/14/39/58/1297143958.db2.gz ZMBXNLJIYAVSQB-KRWDZBQOSA-N -1 0 336.363 3.194 20 30 EGEDRM O=c1c2ccccc2[n-]c(=S)n1N=Cc1c(O)ccc2ccccc21 ZINC000725859886 1298377672 /nfs/dbraw/zinc/37/76/72/1298377672.db2.gz VQAAXUHWRIJEHJ-UHFFFAOYSA-N -1 0 347.399 3.426 20 30 EGEDRM O=C([O-])COc1ccccc1C=NNc1cccc(Br)c1 ZINC000745988238 1298509791 /nfs/dbraw/zinc/50/97/91/1298509791.db2.gz RITDBOOOKSDYRB-UHFFFAOYSA-N -1 0 349.184 3.359 20 30 EGEDRM O=[N+]([O-])c1ccc(CN=Nc2ncnc3c4ccccc4oc32)cc1[O-] ZINC000748133058 1298934047 /nfs/dbraw/zinc/93/40/47/1298934047.db2.gz JLGVTHJQZPJYLH-UHFFFAOYSA-N -1 0 349.306 3.436 20 30 EGEDRM Cc1cccc2ncc(/C=C\C(=O)c3cccc(OCC(=O)[O-])c3)n21 ZINC000749000209 1299123711 /nfs/dbraw/zinc/12/37/11/1299123711.db2.gz VPQDPXQXMZBLKV-HJWRWDBZSA-N -1 0 336.347 3.002 20 30 EGEDRM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2cccc(C)c2C#N)n[nH]1 ZINC000749771708 1299267711 /nfs/dbraw/zinc/26/77/11/1299267711.db2.gz PMZQCZWRKGUBBF-GFCCVEGCSA-N -1 0 332.429 3.294 20 30 EGEDRM CC(C)(C)c1nc(C#N)c([N-]N=C2C(=O)Nc3cccc(Cl)c32)o1 ZINC000750937058 1299481218 /nfs/dbraw/zinc/48/12/18/1299481218.db2.gz LVCXORWMBSTFOF-UHFFFAOYSA-N -1 0 343.774 3.265 20 30 EGEDRM [O-]c1c(Cl)cccc1C=NN1C(=S)N=NC1[C@@H]1CCCCO1 ZINC000753167349 1299887533 /nfs/dbraw/zinc/88/75/33/1299887533.db2.gz ZIZIEPYQQCJXJO-NSHDSACASA-N -1 0 338.820 3.050 20 30 EGEDRM COC(=O)[C@@H](CC1CCCCC1)/N=C/c1cc([N+](=O)[O-])ccc1[O-] ZINC000754827490 1300223301 /nfs/dbraw/zinc/22/33/01/1300223301.db2.gz MJAUOMLTAQUGDA-CLXYIWAZSA-N -1 0 334.372 3.231 20 30 EGEDRM CCc1nn(C)c(CC)c1C=NNc1ccc(Cl)c(C(=O)[O-])c1 ZINC000755467006 1300343822 /nfs/dbraw/zinc/34/38/22/1300343822.db2.gz LMVUHUQYDXWIFL-UHFFFAOYSA-N -1 0 334.807 3.343 20 30 EGEDRM Cn1c(C=NNc2ccccc2C(=O)[O-])nc2cc(Cl)ccc21 ZINC000755600621 1300363969 /nfs/dbraw/zinc/36/39/69/1300363969.db2.gz ISAUZHOUVYDVSA-UHFFFAOYSA-N -1 0 328.759 3.371 20 30 EGEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1ccc([C@H](C)CC)cc1 ZINC000756222558 1300454252 /nfs/dbraw/zinc/45/42/52/1300454252.db2.gz DQQLHTICGDFFFW-RHSMWYFYSA-N -1 0 330.428 3.065 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])c(/C=N/Cc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000756776271 1300564792 /nfs/dbraw/zinc/56/47/92/1300564792.db2.gz UXLILGSWBLNJSD-LZYBPNLTSA-N -1 0 335.703 3.481 20 30 EGEDRM COc1ccc(C(=O)/C=C/c2ccc(OCC#N)c(OC)c2)c([O-])c1 ZINC000757472007 1300673220 /nfs/dbraw/zinc/67/32/20/1300673220.db2.gz KIODYOKLUMGTDF-XVNBXDOJSA-N -1 0 339.347 3.208 20 30 EGEDRM COc1ccc(O)c(C(=O)/C=C/c2cccc(O[C@@H](C)C(=O)[O-])c2)c1 ZINC000757466897 1300673844 /nfs/dbraw/zinc/67/38/44/1300673844.db2.gz AIWWWOYQJJTDQF-WMADIVHISA-N -1 0 342.347 3.149 20 30 EGEDRM Cc1ccc(-c2cccc(C=Nn3c(=O)c(C)n[n-]c3=S)c2)cc1 ZINC000757559595 1300683957 /nfs/dbraw/zinc/68/39/57/1300683957.db2.gz GRWXAGJURNVREF-UHFFFAOYSA-N -1 0 336.420 3.093 20 30 EGEDRM C#Cc1cccc(NS(=O)(=O)c2cc(C)c(Cl)c(C(=O)[O-])c2)c1 ZINC000759093598 1301013464 /nfs/dbraw/zinc/01/34/64/1301013464.db2.gz DVHXGRAGXIWJBN-UHFFFAOYSA-N -1 0 349.795 3.129 20 30 EGEDRM N#Cc1cnc([N-]S(=O)(=O)/C=C/c2ccccc2Cl)s1 ZINC000759151860 1301027075 /nfs/dbraw/zinc/02/70/75/1301027075.db2.gz RGRUVOCNOSOGNX-AATRIKPKSA-N -1 0 325.802 3.081 20 30 EGEDRM CC(=NNc1ccc(C(=O)[O-])cc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000759181979 1301034581 /nfs/dbraw/zinc/03/45/81/1301034581.db2.gz FBWOPMVEROGIJU-UHFFFAOYSA-N -1 0 337.379 3.451 20 30 EGEDRM COc1ccc(Br)cc1C(=O)Nc1cc(C#N)ccc1[O-] ZINC000759718045 1301147816 /nfs/dbraw/zinc/14/78/16/1301147816.db2.gz PGOHUVAJLCWBRT-UHFFFAOYSA-N -1 0 347.168 3.287 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2c(Cl)oc3ccccc32)C(=O)O1 ZINC000761199511 1301418148 /nfs/dbraw/zinc/41/81/48/1301418148.db2.gz FUQLLTISYIVNLV-LFAOLKIESA-N -1 0 330.723 3.314 20 30 EGEDRM Cn1c(C=NNc2ccc(C(=O)[O-])cc2)nc2ccc(Cl)cc21 ZINC000763340415 1301881379 /nfs/dbraw/zinc/88/13/79/1301881379.db2.gz UMBZGWHKRBKAIH-UHFFFAOYSA-N -1 0 328.759 3.371 20 30 EGEDRM Cc1nnc(NN=C(CC(F)(F)F)c2ccc(Cl)cc2)[n-]c1=O ZINC000763346498 1301882981 /nfs/dbraw/zinc/88/29/81/1301882981.db2.gz PZUADJSKRQVJMA-UHFFFAOYSA-N -1 0 345.712 3.308 20 30 EGEDRM CC(N=Nc1ncnc2ccsc21)c1ccc(CC(=O)[O-])cc1 ZINC000764836406 1302146746 /nfs/dbraw/zinc/14/67/46/1302146746.db2.gz ZSLBWKUJMVGXDI-UHFFFAOYSA-N -1 0 326.381 3.155 20 30 EGEDRM O=C([O-])c1ccc2c(c1)n[nH]c2CN=Nc1cccc(C(F)(F)F)n1 ZINC000765576210 1302284776 /nfs/dbraw/zinc/28/47/76/1302284776.db2.gz JVRUIDWFUOZNGU-UHFFFAOYSA-N -1 0 349.272 3.121 20 30 EGEDRM COC(=O)COc1ccc(/C=C\C(=O)c2ccc([O-])c(Cl)c2)cc1 ZINC000768754004 1302971909 /nfs/dbraw/zinc/97/19/09/1302971909.db2.gz AHVASGJBNWBWNR-YWEYNIOJSA-N -1 0 346.766 3.494 20 30 EGEDRM N#CCSc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000770855291 1303322027 /nfs/dbraw/zinc/32/20/27/1303322027.db2.gz BUTRXJCALVIGIX-UHFFFAOYSA-N -1 0 329.337 3.168 20 30 EGEDRM CCCCCC[C@H](CC)C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1 ZINC000771070907 1303356532 /nfs/dbraw/zinc/35/65/32/1303356532.db2.gz ICDBDFDMRBIODP-AWEZNQCLSA-N -1 0 328.478 3.123 20 30 EGEDRM Cc1ncc(CC/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])s1 ZINC000771836525 1303447993 /nfs/dbraw/zinc/44/79/93/1303447993.db2.gz PTMJDSDENAOPAZ-GIDUJCDVSA-N -1 0 325.777 3.380 20 30 EGEDRM N#C[C@H](c1ccccc1)[C@@H]1CCCN1CC(=O)[N-]OCc1ccccc1 ZINC000772200252 1303502872 /nfs/dbraw/zinc/50/28/72/1303502872.db2.gz RCWVQUQCMJKCKH-UXHICEINSA-N -1 0 349.434 3.006 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2ccc(C(C)C)nc2)n1 ZINC000772393122 1303527550 /nfs/dbraw/zinc/52/75/50/1303527550.db2.gz QFLHZLVGBYOIFA-CYBMUJFWSA-N -1 0 343.408 3.003 20 30 EGEDRM C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cc(C)c(C)s1 ZINC000773234015 1303647448 /nfs/dbraw/zinc/64/74/48/1303647448.db2.gz ZVOZZYOWYTXPFG-UHFFFAOYSA-N -1 0 339.413 3.317 20 30 EGEDRM CC(C)Cn1ccc2c1cccc2C([O-])=C(C#N)C(=O)NC(C)C ZINC000774049511 1303768748 /nfs/dbraw/zinc/76/87/48/1303768748.db2.gz AXPSYYPRPCBMOX-INIZCTEOSA-N -1 0 325.412 3.144 20 30 EGEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1cc(C)sn1)c1ccccc1 ZINC000774258509 1303790320 /nfs/dbraw/zinc/79/03/20/1303790320.db2.gz AXTWREABHZWLHZ-KBPBESRZSA-N -1 0 327.409 3.042 20 30 EGEDRM COc1cccc(OC)c1/C=C/C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000776190797 1304110267 /nfs/dbraw/zinc/11/02/67/1304110267.db2.gz YYBQEKDUNBIEOQ-VQHVLOKHSA-N -1 0 329.308 3.214 20 30 EGEDRM COC(=O)c1ccccc1NN=C(C)c1cc(C(=O)[O-])c(C)nc1C ZINC000776732559 1304189347 /nfs/dbraw/zinc/18/93/47/1304189347.db2.gz BXOIBERLNSSTOK-UHFFFAOYSA-N -1 0 341.367 3.019 20 30 EGEDRM CC(=O)N1Cc2ccccc2C(=O)/C(=C/c2cc(F)c([O-])c(F)c2)C1 ZINC000778520291 1304458467 /nfs/dbraw/zinc/45/84/67/1304458467.db2.gz SDPNDTNSMHXVOQ-MKMNVTDBSA-N -1 0 343.329 3.299 20 30 EGEDRM CC(C)(C(=O)[N-]OCCOc1ccccc1)c1cc(F)cc(C#N)c1 ZINC000889445281 1304483477 /nfs/dbraw/zinc/48/34/77/1304483477.db2.gz VIMRYUDJZQYRHJ-UHFFFAOYSA-N -1 0 342.370 3.102 20 30 EGEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)[C@@H](C)[C@H](C)CC ZINC000780320304 1304676149 /nfs/dbraw/zinc/67/61/49/1304676149.db2.gz YAQSQESJKCLGCM-UHIISALHSA-N -1 0 346.427 3.382 20 30 EGEDRM C#CC[C@@H](NC(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-])c1ccccc1 ZINC000780697766 1304726455 /nfs/dbraw/zinc/72/64/55/1304726455.db2.gz QRUDIGCWTADZJB-RTBURBONSA-N -1 0 348.402 3.145 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(OC2CCCC2)nc1 ZINC000781763954 1304870361 /nfs/dbraw/zinc/87/03/61/1304870361.db2.gz ADDSXLVYBNSLBX-INIZCTEOSA-N -1 0 343.427 3.032 20 30 EGEDRM COc1cc(C=NNc2ccccc2F)ccc1OCCC(=O)[O-] ZINC000783820192 1305149208 /nfs/dbraw/zinc/14/92/08/1305149208.db2.gz DLQJQCUVWPXTMY-UHFFFAOYSA-N -1 0 332.331 3.134 20 30 EGEDRM COc1cc(C=NN[C@@H](C)c2ccccc2)ccc1OCCC(=O)[O-] ZINC000783830679 1305149785 /nfs/dbraw/zinc/14/97/85/1305149785.db2.gz BOHRKHPUZJUOCX-AWEZNQCLSA-N -1 0 342.395 3.233 20 30 EGEDRM COc1cc(CN=Nc2cc(Cl)ccn2)ccc1OCCC(=O)[O-] ZINC000783863771 1305153322 /nfs/dbraw/zinc/15/33/22/1305153322.db2.gz RTCRVDHSSHRGQP-UHFFFAOYSA-N -1 0 349.774 3.043 20 30 EGEDRM CC(C)Cn1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Cl)n1 ZINC000892488987 1305401582 /nfs/dbraw/zinc/40/15/82/1305401582.db2.gz BPBUWNAMFGWUIW-GFCCVEGCSA-N -1 0 344.802 3.154 20 30 EGEDRM CCCCS[C@H](C)C(=O)OCC([O-])=C(C#N)c1nc(C)cs1 ZINC000785748905 1305422622 /nfs/dbraw/zinc/42/26/22/1305422622.db2.gz MNCYSCNHYPZRHC-NEPJUHHUSA-N -1 0 340.470 3.093 20 30 EGEDRM C=C1CCC(C(=O)[N-]S(=O)(=O)C2=Cc3ccccc3CC2)CC1 ZINC000892645722 1305485964 /nfs/dbraw/zinc/48/59/64/1305485964.db2.gz SQQIBAWHJLROMY-UHFFFAOYSA-N -1 0 331.437 3.166 20 30 EGEDRM CCc1ccc(C([O-])=C(C#N)C(=O)NCc2ccc(F)cc2F)cc1 ZINC000786557262 1305597930 /nfs/dbraw/zinc/59/79/30/1305597930.db2.gz HSJBPNWMCHSKCR-INIZCTEOSA-N -1 0 342.345 3.166 20 30 EGEDRM N#CC(C(=O)NCc1ccc(F)c(F)c1)=C([O-])c1cccc(Cl)c1 ZINC000786570150 1305600311 /nfs/dbraw/zinc/60/03/11/1305600311.db2.gz HVVPUHYIMKCSIT-ZDUSSCGKSA-N -1 0 348.736 3.257 20 30 EGEDRM CCc1ncc(C([O-])=C(C#N)C(=O)N[C@@H](CC)c2ccccc2)s1 ZINC000787040533 1305681638 /nfs/dbraw/zinc/68/16/38/1305681638.db2.gz LXXVNYXNRUOVTE-KGLIPLIRSA-N -1 0 341.436 3.295 20 30 EGEDRM Cc1ccc(C(=O)[O-])cc1C(C)N=Nc1ccc(C(F)(F)F)nn1 ZINC000788436768 1305940484 /nfs/dbraw/zinc/94/04/84/1305940484.db2.gz GIJVEWDNQBUWRO-UHFFFAOYSA-N -1 0 338.289 3.338 20 30 EGEDRM O=C([O-])[C@H]1CCC(=NNc2nc3ccccc3c(=O)[nH]2)c2ccccc21 ZINC000789022451 1306067260 /nfs/dbraw/zinc/06/72/60/1306067260.db2.gz CIVIKTFASWZWGF-ZDUSSCGKSA-N -1 0 348.362 3.114 20 30 EGEDRM CNC(=O)C(C#N)=C([O-])c1ccc(-c2ccccc2C(F)(F)F)o1 ZINC000789347085 1306144213 /nfs/dbraw/zinc/14/42/13/1306144213.db2.gz BEJGCRFPDMNTQA-JTQLQIEISA-N -1 0 336.269 3.034 20 30 EGEDRM N#Cc1cccc([C@@H]2CN(Cc3cc(F)cc(F)c3[O-])CCO2)c1 ZINC000894095379 1306216355 /nfs/dbraw/zinc/21/63/55/1306216355.db2.gz QNDBMGSTMFVYLD-KRWDZBQOSA-N -1 0 330.334 3.116 20 30 EGEDRM CC(C)(C)c1[n-]n(CCCNC(=O)C2CCCC2)c(=O)c1CCC#N ZINC000790507198 1306340046 /nfs/dbraw/zinc/34/00/46/1306340046.db2.gz FEUOHBNJVZVVOV-UHFFFAOYSA-N -1 0 346.475 3.039 20 30 EGEDRM C=CCN(CC=C)C(=O)c1cc2ccccc2cc1[N-]S(C)(=O)=O ZINC000791122330 1308923861 /nfs/dbraw/zinc/92/38/61/1308923861.db2.gz WNMATOREZNFGAF-UHFFFAOYSA-N -1 0 344.436 3.026 20 30 EGEDRM CC[C@@H](NN=Cc1c(C)nn(-c2cc(C)ccc2C)c1Cl)C(=O)[O-] ZINC000793056350 1309288565 /nfs/dbraw/zinc/28/85/65/1309288565.db2.gz GEVCZZMJQWZSSP-CQSZACIVSA-N -1 0 348.834 3.238 20 30 EGEDRM COC(=O)c1cc(NN=C(C)c2ccc([O-])c([N+](=O)[O-])c2)ccc1C ZINC000793099157 1309296130 /nfs/dbraw/zinc/29/61/30/1309296130.db2.gz YUOXUSXCSSOYAV-UHFFFAOYSA-N -1 0 343.339 3.232 20 30 EGEDRM CCC[C@@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)CC1(C#N)CC1 ZINC000793200682 1309315523 /nfs/dbraw/zinc/31/55/23/1309315523.db2.gz DACZXYYJLNFCHL-HNNXBMFYSA-N -1 0 340.489 3.123 20 30 EGEDRM O=C([O-])CCOc1cccc(/C=C2\COc3cc(F)ccc3C2=O)c1 ZINC000794726590 1309583989 /nfs/dbraw/zinc/58/39/89/1309583989.db2.gz CHYLNNSESNHNHD-MDWZMJQESA-N -1 0 342.322 3.338 20 30 EGEDRM COC(=O)c1cc(F)cc(N=Cc2cc([N+](=O)[O-])ccc2[O-])c1F ZINC000794848454 1309608354 /nfs/dbraw/zinc/60/83/54/1309608354.db2.gz OIIIZHDKXYCDOH-UHFFFAOYSA-N -1 0 336.250 3.116 20 30 EGEDRM CC[C@@H]1CCCC[C@H]1C(=O)OCC([O-])=C(C#N)c1nc(C)cs1 ZINC000796318931 1309965144 /nfs/dbraw/zinc/96/51/44/1309965144.db2.gz BMOINOHSMPOCCG-MGPQQGTHSA-N -1 0 334.441 3.387 20 30 EGEDRM N#CC(C(=O)Nc1ccc(Cl)cc1Cl)=C([O-])c1cncs1 ZINC000796746755 1310078333 /nfs/dbraw/zinc/07/83/33/1310078333.db2.gz OTYPNJKKOGVRCC-MRVPVSSYSA-N -1 0 340.191 3.411 20 30 EGEDRM C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)c1cc([S-])ccc1F ZINC000798718797 1310427573 /nfs/dbraw/zinc/42/75/73/1310427573.db2.gz GISGELNTISTMRU-LLVKDONJSA-N -1 0 325.405 3.084 20 30 EGEDRM COc1cccc(/C=C\C(=O)c2ccc(OC)c(CC(=O)[O-])c2)c1F ZINC000799890660 1310634702 /nfs/dbraw/zinc/63/47/02/1310634702.db2.gz UDSCVVNRENCGGX-VURMDHGXSA-N -1 0 344.338 3.366 20 30 EGEDRM Cc1ccccc1Oc1ccc(C([O-])=C(C#N)C(=O)N2CCCC2)nc1 ZINC000838786534 1320816396 /nfs/dbraw/zinc/81/63/96/1320816396.db2.gz HQKDUKMCFGTNKQ-INIZCTEOSA-N -1 0 349.390 3.127 20 30 EGEDRM C[C@H](Oc1cccc(C(=O)/C=C/c2cn(C)nc2C2CC2)c1)C(=O)[O-] ZINC000899350251 1316998329 /nfs/dbraw/zinc/99/83/29/1316998329.db2.gz BGTWOJQHJNMHNA-BCPZQOPPSA-N -1 0 340.379 3.046 20 30 EGEDRM C[C@H](Oc1cccc(C(=O)/C=C\c2cnn(C3CCC3)c2)c1)C(=O)[O-] ZINC000899350937 1316998464 /nfs/dbraw/zinc/99/84/64/1316998464.db2.gz USJIRSJHQVKJFO-YXVBKTCISA-N -1 0 340.379 3.356 20 30 EGEDRM Cc1nn(-c2ccccn2)c(C)c1/C=C\C(=O)c1ccc(O)cc1[O-] ZINC000802706014 1317026455 /nfs/dbraw/zinc/02/64/55/1317026455.db2.gz ZPLWNJYCCNRUJG-HJWRWDBZSA-N -1 0 335.363 3.191 20 30 EGEDRM Cc1ccc([C@H](CC(=O)N[C@@H](C)c2cccc(C#N)c2)C(=O)[O-])cc1 ZINC000899770224 1317151122 /nfs/dbraw/zinc/15/11/22/1317151122.db2.gz KWJUZSAFNNSFBG-KSSFIOAISA-N -1 0 336.391 3.302 20 30 EGEDRM Cc1cc(C)c(C(=O)[O-])cc1/C=C/C(=O)c1cccc(-n2ccnn2)c1 ZINC000806575055 1317504631 /nfs/dbraw/zinc/50/46/31/1317504631.db2.gz OAYQHOQVPLSBKM-VOTSOKGWSA-N -1 0 347.374 3.478 20 30 EGEDRM COc1cc(/C=C2/Cc3nc(Cl)ccc3C2=O)cc([N+](=O)[O-])c1[O-] ZINC000806579651 1317506131 /nfs/dbraw/zinc/50/61/31/1317506131.db2.gz MWEWNANHTAHXSM-WTKPLQERSA-N -1 0 346.726 3.180 20 30 EGEDRM CC(C)(C)c1[n-]n(C[C@H]2COc3ccccc3O2)c(=O)c1CCC#N ZINC000902718632 1317608382 /nfs/dbraw/zinc/60/83/82/1317608382.db2.gz GLIKLUMMRSUYRV-ZDUSSCGKSA-N -1 0 341.411 3.182 20 30 EGEDRM Cc1cccc([N-]S(=O)(=O)C[C@]2(C)CC2(Cl)Cl)c1C#N ZINC000903106649 1317654904 /nfs/dbraw/zinc/65/49/04/1317654904.db2.gz UCVSNAQRPVHHLQ-LBPRGKRZSA-N -1 0 333.240 3.192 20 30 EGEDRM CCc1ncc(S(=O)(=O)[N-]c2sc(C)c(C)c2C#N)s1 ZINC000903167928 1317667305 /nfs/dbraw/zinc/66/73/05/1317667305.db2.gz CDWTXTVDFNRSRT-UHFFFAOYSA-N -1 0 327.456 3.056 20 30 EGEDRM C#Cc1ccc(CN(CC(=O)OC)Cc2cc(Cl)ccc2O)cc1 ZINC000809572008 1317835118 /nfs/dbraw/zinc/83/51/18/1317835118.db2.gz GOZQVBYRYRVYJM-UHFFFAOYSA-N -1 0 343.810 3.202 20 30 EGEDRM C[C@](CC(=O)[O-])(C(=O)NCc1cc(C#N)ccc1F)C1CCCCC1 ZINC000905129653 1317926575 /nfs/dbraw/zinc/92/65/75/1317926575.db2.gz VPTCOIIBPHATEY-LJQANCHMSA-N -1 0 346.402 3.375 20 30 EGEDRM N#Cc1c([N-]S(=O)(=O)Cc2ccc(F)cc2)sc2c1CCC2 ZINC000906072328 1318033693 /nfs/dbraw/zinc/03/36/93/1318033693.db2.gz JAOCAUCALQERPF-UHFFFAOYSA-N -1 0 336.413 3.189 20 30 EGEDRM COCc1nc(C/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])cs1 ZINC000811625237 1318215524 /nfs/dbraw/zinc/21/55/24/1318215524.db2.gz HPZJTRKISMPKRS-SYZQJQIISA-N -1 0 341.776 3.176 20 30 EGEDRM C#C[C@H](NC(=O)c1n[n-]c2ccccc2c1=O)c1ccc(Cl)cc1 ZINC000811945531 1318294326 /nfs/dbraw/zinc/29/43/26/1318294326.db2.gz WGLXSODHYDUJEZ-AWEZNQCLSA-N -1 0 337.766 3.093 20 30 EGEDRM CC(=[NH+][N-]c1ccc(C(=O)[O-])cc1)c1cccc(N2CCOCC2)c1 ZINC000812369016 1318378529 /nfs/dbraw/zinc/37/85/29/1318378529.db2.gz DNHWGSWLIOSHSP-UHFFFAOYSA-N -1 0 339.395 3.058 20 30 EGEDRM Cc1nn(C)c(Cl)c1C=NNc1ccc(Cl)c(C(=O)[O-])c1 ZINC000812487167 1318400687 /nfs/dbraw/zinc/40/06/87/1318400687.db2.gz UUWVJRPPOMGGFD-UHFFFAOYSA-N -1 0 327.171 3.180 20 30 EGEDRM C#CCCCC(=O)N1CCC([C@@H](CC(=O)[O-])c2ccccc2)CC1 ZINC000910029357 1318551752 /nfs/dbraw/zinc/55/17/52/1318551752.db2.gz AWSIYYQUOLGKAR-SFHVURJKSA-N -1 0 327.424 3.287 20 30 EGEDRM C=C(C)C(C)(C)C(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1 ZINC000911597719 1318750769 /nfs/dbraw/zinc/75/07/69/1318750769.db2.gz KJSCMHZYMVXSQE-UHFFFAOYSA-N -1 0 330.428 3.390 20 30 EGEDRM CCOc1ccc(NC(=S)NN=Cc2cccc(C(=O)[O-])c2)cc1 ZINC000814717353 1318804311 /nfs/dbraw/zinc/80/43/11/1318804311.db2.gz HBXBCYPAWJGDLA-UHFFFAOYSA-N -1 0 343.408 3.104 20 30 EGEDRM C[C@H]1C(=NNCc2ccc(Br)cc2)CC[C@@H]1CC(=O)[O-] ZINC000814829381 1318827278 /nfs/dbraw/zinc/82/72/78/1318827278.db2.gz RMSGBTTUANFRAD-ZYHUDNBSSA-N -1 0 339.233 3.416 20 30 EGEDRM O=C([O-])C1(c2cccc(Cl)c2)CC(N=Nc2ccc(F)cn2)C1 ZINC000814842393 1318829893 /nfs/dbraw/zinc/82/98/93/1318829893.db2.gz GHQOFFKRCSCNNW-UHFFFAOYSA-N -1 0 333.750 3.458 20 30 EGEDRM COc1ccc(CCNN=C2CC[C@H](C(=O)[O-])C(C)(C)[C@H]2C)cc1 ZINC000814855547 1318831709 /nfs/dbraw/zinc/83/17/09/1318831709.db2.gz PGQWABREUYFRKI-XJKSGUPXSA-N -1 0 332.444 3.340 20 30 EGEDRM COC(=O)c1cccc(N=NC2CC(C(=O)[O-])(c3ccccc3)C2)c1 ZINC000814900655 1318842350 /nfs/dbraw/zinc/84/23/50/1318842350.db2.gz CFLLZHNRGBMZJZ-UHFFFAOYSA-N -1 0 338.363 3.058 20 30 EGEDRM C[C@H]1CC(N=Nc2ccnc(Br)c2)CC[C@H]1C(=O)[O-] ZINC000814904502 1318844941 /nfs/dbraw/zinc/84/49/41/1318844941.db2.gz MBHNZPMLUDNHFM-GZMMTYOYSA-N -1 0 326.194 3.133 20 30 EGEDRM CC[C@H](NN=C(Cc1ccc(F)cc1Cl)c1ccoc1)C(=O)[O-] ZINC000814937527 1318854671 /nfs/dbraw/zinc/85/46/71/1318854671.db2.gz JQKVJMJJRVKGDX-AWEZNQCLSA-N -1 0 338.766 3.472 20 30 EGEDRM O=C([O-])C1(c2cccc(Br)c2)CC(=NOC2CCC2)C1 ZINC000814936341 1318854856 /nfs/dbraw/zinc/85/48/56/1318854856.db2.gz LYJTUCSTEWGERO-UHFFFAOYSA-N -1 0 338.201 3.490 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc2c(c1)CCCC2=O ZINC000815904335 1319069749 /nfs/dbraw/zinc/06/97/49/1319069749.db2.gz BZYVIRAKLWJPBX-KRWDZBQOSA-N -1 0 340.423 3.225 20 30 EGEDRM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1ncoc1C1CC1 ZINC000815909244 1319073257 /nfs/dbraw/zinc/07/32/57/1319073257.db2.gz VPZHJAHZPZAFSM-SNVBAGLBSA-N -1 0 347.733 3.306 20 30 EGEDRM CC(C)[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1cccc(C#N)c1 ZINC000816108360 1319102948 /nfs/dbraw/zinc/10/29/48/1319102948.db2.gz FHRHABVGXREDQV-KRWDZBQOSA-N -1 0 342.420 3.015 20 30 EGEDRM O=[N+]([O-])c1cc(C=NNc2ccc(Cl)cc2[N+](=O)[O-])ccc1[O-] ZINC000915975675 1319576506 /nfs/dbraw/zinc/57/65/06/1319576506.db2.gz ALXOWPDSRAFZFK-UHFFFAOYSA-N -1 0 336.691 3.308 20 30 EGEDRM COCCOCc1cccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000915981061 1319577833 /nfs/dbraw/zinc/57/78/33/1319577833.db2.gz LCKYRAKJDFVGQH-UHFFFAOYSA-N -1 0 330.340 3.214 20 30 EGEDRM COc1cc(/C=C/C(=O)c2ccc(CC(=O)[O-])cc2)cc(OC)c1 ZINC000915989645 1319580605 /nfs/dbraw/zinc/58/06/05/1319580605.db2.gz BFEUPQXISFDAAB-VMPITWQZSA-N -1 0 326.348 3.227 20 30 EGEDRM C=CCNC(=O)C(C#N)=C([O-])c1cccc(OCc2cccc(C)c2)c1 ZINC000916918732 1319724529 /nfs/dbraw/zinc/72/45/29/1319724529.db2.gz VZVXCNXJXRLETJ-LJQANCHMSA-N -1 0 348.402 3.199 20 30 EGEDRM Cc1oc(-c2cccs2)nc1C([O-])=C(C#N)C(=O)NC1CCCC1 ZINC000917044536 1319743367 /nfs/dbraw/zinc/74/33/67/1319743367.db2.gz JEUOJRNBGNFPLR-LBPRGKRZSA-N -1 0 343.408 3.093 20 30 EGEDRM C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000819938432 1319806933 /nfs/dbraw/zinc/80/69/33/1319806933.db2.gz VFZQOQIHJNQAHH-UHFFFAOYSA-N -1 0 335.347 3.113 20 30 EGEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)CC1CCCC1 ZINC000917507394 1319822961 /nfs/dbraw/zinc/82/29/61/1319822961.db2.gz WDNMWYBUBSSUCM-AWEZNQCLSA-N -1 0 344.411 3.280 20 30 EGEDRM Cc1cnn(C)c1/C=C/C(=O)c1cc(C(=O)[O-])ccc1OC(C)C ZINC000821981912 1320045024 /nfs/dbraw/zinc/04/50/24/1320045024.db2.gz DXJVNIQAIWBSAK-VOTSOKGWSA-N -1 0 328.368 3.110 20 30 EGEDRM CN(Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-])CC(C)(C)C#N ZINC000840073132 1321023751 /nfs/dbraw/zinc/02/37/51/1321023751.db2.gz LMENMHNICILTQV-UHFFFAOYSA-N -1 0 338.407 3.310 20 30 EGEDRM CCOC(=O)C1(C([O-])=C(C#N)c2nc3ccccc3o2)CCCC1 ZINC000842693874 1321420330 /nfs/dbraw/zinc/42/03/30/1321420330.db2.gz OTENJKRUTILGTE-GFCCVEGCSA-N -1 0 326.352 3.128 20 30 EGEDRM C=C(Br)CNc1nc(C)nc2sc(C(=O)[O-])c(C)c21 ZINC000844207529 1321578729 /nfs/dbraw/zinc/57/87/29/1321578729.db2.gz MKZLSHQMANQASW-UHFFFAOYSA-N -1 0 342.218 3.327 20 30 EGEDRM C=C[C@H](C)O[N-]C(=O)c1nn(CCCCCC)c(=O)c2ccccc21 ZINC000846541991 1321791828 /nfs/dbraw/zinc/79/18/28/1321791828.db2.gz RFTMEIDVRIBZER-AWEZNQCLSA-N -1 0 343.427 3.213 20 30 EGEDRM C=C[C@@H](C)O[N-]C(=O)Cc1sc(SCC(=C)Cl)nc1C ZINC000846554122 1321792964 /nfs/dbraw/zinc/79/29/64/1321792964.db2.gz HGOAFXPOIZJQFG-SECBINFHSA-N -1 0 332.878 3.461 20 30 EGEDRM C#CCCN(CC(F)(F)F)C(=O)c1cccc(C(F)(F)F)c1[O-] ZINC000847744387 1321899888 /nfs/dbraw/zinc/89/98/88/1321899888.db2.gz PNSHSIVFOOBGIM-UHFFFAOYSA-N -1 0 339.235 3.439 20 30 EGEDRM O=C([O-])Cc1ccc([N-][NH+]=Cc2c(F)cccc2N2CCCC2)cc1 ZINC000848415205 1321958277 /nfs/dbraw/zinc/95/82/77/1321958277.db2.gz IZINCHCLCYWXQL-UHFFFAOYSA-N -1 0 341.386 3.499 20 30 EGEDRM CCCOc1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)c(C)c1 ZINC000849241771 1322099971 /nfs/dbraw/zinc/09/99/71/1322099971.db2.gz NAVRRIXYSJXOGJ-XOWYPZSQSA-N -1 0 328.364 3.012 20 30 EGEDRM CCCCCCCC(=O)N=c1cc(C)n2[n-]c(C(F)(F)F)nc2n1 ZINC000920970004 1322240271 /nfs/dbraw/zinc/24/02/71/1322240271.db2.gz DKTZASGRQWKLST-UHFFFAOYSA-N -1 0 343.353 3.172 20 30 EGEDRM COc1cc(/C=C2/Cc3c(cccc3F)C2=O)cc([N+](=O)[O-])c1[O-] ZINC000921264310 1322282494 /nfs/dbraw/zinc/28/24/94/1322282494.db2.gz QQQDGPOODMSEKX-YHYXMXQVSA-N -1 0 329.283 3.271 20 30 EGEDRM N#CC1(C(=O)Nc2ccc3c(ccn3CC(=O)[O-])c2)CCCCC1 ZINC000923058919 1322684643 /nfs/dbraw/zinc/68/46/43/1322684643.db2.gz WFSGPJLJGNTFOU-UHFFFAOYSA-N -1 0 325.368 3.138 20 30 EGEDRM CSc1cc(C)c(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)o1 ZINC000853118046 1325050286 /nfs/dbraw/zinc/05/02/86/1325050286.db2.gz DBAAGFYEVIYDOC-AWEZNQCLSA-N -1 0 342.420 3.257 20 30 EGEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])C=Cc2ccc(C(N)=O)o2)s1 ZINC000853121510 1325051483 /nfs/dbraw/zinc/05/14/83/1325051483.db2.gz GBEWDDPHLXUYNQ-QZPNVGJNSA-N -1 0 343.408 3.022 20 30 EGEDRM CC(C)Oc1ccc(C(=O)[O-])cc1C(C)N=Nc1ccc(Cl)nn1 ZINC000853259697 1325074205 /nfs/dbraw/zinc/07/42/05/1325074205.db2.gz NWDIUPPWMMFGOL-UHFFFAOYSA-N -1 0 348.790 3.452 20 30 EGEDRM C=CCn1c(=O)c2ccc(C(=O)NCC[C@H](C)CC)cc2[n-]c1=S ZINC000855387110 1325376262 /nfs/dbraw/zinc/37/62/62/1325376262.db2.gz BRGNWHFCEZCBQY-GFCCVEGCSA-N -1 0 345.468 3.037 20 30 EGEDRM COc1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc1C(C)(C)C ZINC000865213510 1329676308 /nfs/dbraw/zinc/67/63/08/1329676308.db2.gz BBFYWCFSJYQKKE-JHTBKMLMSA-N -1 0 342.391 3.221 20 30 EGEDRM C[C@@]1(C#N)CCCN(C(=O)c2cc(Br)cc(F)c2[O-])C1 ZINC000867363716 1330196536 /nfs/dbraw/zinc/19/65/36/1330196536.db2.gz WWSJEQIDEREFPR-AWEZNQCLSA-N -1 0 341.180 3.060 20 30 EGEDRM COc1ccccc1SCC(=O)Nc1cc(C#N)c(F)cc1[O-] ZINC001183826477 1387354874 /nfs/dbraw/zinc/35/48/74/1387354874.db2.gz SCWQZXQGJUIKJI-UHFFFAOYSA-N -1 0 332.356 3.142 20 30 EGEDRM C[C@H](NC(=O)CCC(=O)C1=CC=C[CH]1)c1nc(-c2ccccc2)c[nH]1 ZINC001184246478 1387419334 /nfs/dbraw/zinc/41/93/34/1387419334.db2.gz VCAYFMGXFPCSFX-AWEZNQCLSA-N -1 0 334.399 3.304 20 30 EGEDRM CC1(C)Cc2c(NC(=O)CCC(=O)C3=CC=C[CH]3)cccc2NC1=O ZINC001184244988 1387419345 /nfs/dbraw/zinc/41/93/45/1387419345.db2.gz XUAOFAQDTKSAFO-UHFFFAOYSA-N -1 0 337.399 3.196 20 30 EGEDRM N#Cc1cc(F)c(F)cc1[N-]S(=O)(=O)Cc1cc(F)cc(F)c1 ZINC001185135379 1387624735 /nfs/dbraw/zinc/62/47/35/1387624735.db2.gz PSFZVRWFMLIJRN-UHFFFAOYSA-N -1 0 344.289 3.057 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)nc2C#N)ccc1Cl ZINC001185490177 1387730036 /nfs/dbraw/zinc/73/00/36/1387730036.db2.gz WZPNVZAZHZRQGA-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2cc(Cl)cnc2C#N)ccc1Cl ZINC001185499573 1387733242 /nfs/dbraw/zinc/73/32/42/1387733242.db2.gz JMFWLTRIXVWNIO-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM N#Cc1ccc(Cl)cc1[N-]S(=O)(=O)Cc1cc(F)ccc1F ZINC001189688398 1367085735 /nfs/dbraw/zinc/08/57/35/1367085735.db2.gz HUHXTEJTUINXLE-UHFFFAOYSA-N -1 0 342.754 3.432 20 30 EGEDRM N#C[C@H]1CCCN(C(=O)c2cc(Br)ccc2[S-])C1 ZINC001189949989 1367137429 /nfs/dbraw/zinc/13/74/29/1367137429.db2.gz DNIWKZDYCFNQGS-SECBINFHSA-N -1 0 325.231 3.114 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc3cnccc3c2)c1 ZINC001190607908 1367307125 /nfs/dbraw/zinc/30/71/25/1367307125.db2.gz CSXWIGUUUILNSV-UHFFFAOYSA-N -1 0 327.340 3.046 20 30 EGEDRM Cc1sc([N-]S(=O)(=O)c2cc(C#N)ccc2F)c(C#N)c1C ZINC001190615737 1367310045 /nfs/dbraw/zinc/31/00/45/1367310045.db2.gz ASFBZKNGHARVBP-UHFFFAOYSA-N -1 0 335.385 3.048 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(C(=O)C3CC3)cc2)c1 ZINC001190658521 1367321443 /nfs/dbraw/zinc/32/14/43/1367321443.db2.gz XWFOBPZVAFVGDQ-UHFFFAOYSA-N -1 0 344.367 3.091 20 30 EGEDRM CCc1cccc(O)c1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC001190985822 1367395676 /nfs/dbraw/zinc/39/56/76/1367395676.db2.gz IBBKWUOSVAXQHW-UHFFFAOYSA-N -1 0 336.800 3.280 20 30 EGEDRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2sccc2C#N)c1 ZINC001191148815 1367432916 /nfs/dbraw/zinc/43/29/16/1367432916.db2.gz SPHGGEJWJWHJNJ-UHFFFAOYSA-N -1 0 329.406 3.277 20 30 EGEDRM N#Cc1ccc(F)c(F)c1[N-]C(=O)c1nc(Cc2ccccc2)no1 ZINC001192275876 1367736381 /nfs/dbraw/zinc/73/63/81/1367736381.db2.gz GXUNRJYKXPBTIF-UHFFFAOYSA-N -1 0 340.289 3.063 20 30 EGEDRM Cc1sc([N-]S(=O)(=O)c2cnc(Cl)c(C)c2)c(C#N)c1C ZINC001192529388 1367805852 /nfs/dbraw/zinc/80/58/52/1367805852.db2.gz JSVNPZNCPISREC-UHFFFAOYSA-N -1 0 341.845 3.394 20 30 EGEDRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2cc(F)c(C)cc2C#N)c1 ZINC001192817101 1367881079 /nfs/dbraw/zinc/88/10/79/1367881079.db2.gz ATAJILYHCFSLAS-UHFFFAOYSA-N -1 0 348.399 3.378 20 30 EGEDRM N#CCS(=O)(=O)[N-]c1ccc(SC(F)(F)F)c(Cl)c1 ZINC001192985953 1367916737 /nfs/dbraw/zinc/91/67/37/1367916737.db2.gz QGQYXDPGQGPMPG-UHFFFAOYSA-N -1 0 330.740 3.217 20 30 EGEDRM CC(C)C[C@@H](CC(=O)OC(C)(C)C)NC(=O)c1ccc([O-])c(C#N)c1 ZINC001193515802 1368051573 /nfs/dbraw/zinc/05/15/73/1368051573.db2.gz SMSSIKLLQUXEQP-HNNXBMFYSA-N -1 0 346.427 3.140 20 30 EGEDRM CC(=O)c1ccc([N-]S(=O)(=O)c2c(C)cccc2C)c(C#N)c1 ZINC001194643288 1368302210 /nfs/dbraw/zinc/30/22/10/1368302210.db2.gz KFHLYFVZDVQYOX-UHFFFAOYSA-N -1 0 328.393 3.179 20 30 EGEDRM C#Cc1ccc(NC(=O)c2c([O-])c(F)c(F)c(F)c2F)cc1F ZINC001195302261 1368416759 /nfs/dbraw/zinc/41/67/59/1368416759.db2.gz BWBSEZOUCWCWDC-UHFFFAOYSA-N -1 0 327.208 3.321 20 30 EGEDRM N#Cc1ccc(C(=O)N2CCC3(C=Cc4ccccc43)CC2)c([O-])c1 ZINC001195740616 1368481317 /nfs/dbraw/zinc/48/13/17/1368481317.db2.gz ICQWGLQAWNQLIF-UHFFFAOYSA-N -1 0 330.387 3.465 20 30 EGEDRM COc1ccc(NC(=O)c2ccc(C#N)cc2[O-])c(Br)c1 ZINC001195751444 1368482410 /nfs/dbraw/zinc/48/24/10/1368482410.db2.gz UQXWXFKXVDOXRP-UHFFFAOYSA-N -1 0 347.168 3.287 20 30 EGEDRM Cc1cc(C#N)c([N-]S(=O)(=O)c2ccc(Cl)cn2)cc1Cl ZINC001196251018 1368577278 /nfs/dbraw/zinc/57/72/78/1368577278.db2.gz UQQFSNQRKRMQSM-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM CC(C)n1ncc(C#N)c1[N-]S(=O)(=O)c1csc2ccccc21 ZINC001186455322 1387947422 /nfs/dbraw/zinc/94/74/22/1387947422.db2.gz SHPGACMPCGQFMX-UHFFFAOYSA-N -1 0 346.437 3.351 20 30 EGEDRM COc1cc(C#N)c(F)cc1NC(=O)c1cc(Cl)c(F)cc1[O-] ZINC001196466885 1368621964 /nfs/dbraw/zinc/62/19/64/1368621964.db2.gz MOSDYXPKGQFUDI-UHFFFAOYSA-N -1 0 338.697 3.456 20 30 EGEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(C2CCC2)no1 ZINC001196643759 1368655343 /nfs/dbraw/zinc/65/53/43/1368655343.db2.gz ULMSUWKCJLEVAO-UHFFFAOYSA-N -1 0 337.788 3.268 20 30 EGEDRM CCOc1cc(OC)cc(C(=O)Nc2cc(C#N)c(F)cc2[O-])c1 ZINC001197323901 1368787690 /nfs/dbraw/zinc/78/76/90/1368787690.db2.gz KZISPKKWXWJHLI-UHFFFAOYSA-N -1 0 330.315 3.063 20 30 EGEDRM CCc1cc([N-]S(=O)(=O)c2ccc(C)nc2)cc(CC)c1C#N ZINC001198318533 1369008183 /nfs/dbraw/zinc/00/81/83/1369008183.db2.gz SQTVKONWTQCNGE-UHFFFAOYSA-N -1 0 329.425 3.187 20 30 EGEDRM N#Cc1ccc(F)c(F)c1NC(=O)c1cc(OC(F)F)ccn1 ZINC001199315041 1369206902 /nfs/dbraw/zinc/20/69/02/1369206902.db2.gz XHNTXYGLLOITFI-UHFFFAOYSA-N -1 0 325.221 3.085 20 30 EGEDRM CCCCCCCCCNC(=S)NCCCC[P@@](=O)([O-])O ZINC001200378228 1369357330 /nfs/dbraw/zinc/35/73/30/1369357330.db2.gz OQSRRFAALBYKJA-UHFFFAOYSA-N -1 0 338.454 3.159 20 30 EGEDRM Cc1cccc(S(=O)(=O)[N-]c2c(F)cc(F)cc2C#N)c1F ZINC001200811360 1369432415 /nfs/dbraw/zinc/43/24/15/1369432415.db2.gz TXJKQZGCOLFGAC-UHFFFAOYSA-N -1 0 326.299 3.085 20 30 EGEDRM Cc1cccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2C#N)c1F ZINC001200810345 1369432463 /nfs/dbraw/zinc/43/24/63/1369432463.db2.gz ACXAEDDCHBHKPC-UHFFFAOYSA-N -1 0 326.299 3.085 20 30 EGEDRM N#Cc1ncccc1[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1F ZINC001201246059 1369503725 /nfs/dbraw/zinc/50/37/25/1369503725.db2.gz DHVRLPUNQOTKEZ-UHFFFAOYSA-N -1 0 346.170 3.200 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc3ncoc32)cc1C#N ZINC001201323875 1369519667 /nfs/dbraw/zinc/51/96/67/1369519667.db2.gz PIGOSQBRESKXFY-UHFFFAOYSA-N -1 0 347.783 3.462 20 30 EGEDRM COc1ccc(C(N)=O)cc1-c1cc(/C=N/[O-])cc(C(F)(F)F)c1 ZINC001205226110 1370687750 /nfs/dbraw/zinc/68/77/50/1370687750.db2.gz AZXZEDYLJAYDAZ-ODCIPOBUSA-N -1 0 338.285 3.288 20 30 EGEDRM C=CCC[C@H](NC(=O)N[C@@H](CC(F)(F)F)C(=O)[O-])c1ccccc1 ZINC001119714469 1371392932 /nfs/dbraw/zinc/39/29/32/1371392932.db2.gz BNIBIAFIUSVPAC-STQMWFEESA-N -1 0 344.333 3.399 20 30 EGEDRM C[C@@H](CC#N)N(C)c1nnc(-c2cc(Cl)c([O-])c(Cl)c2)n1C ZINC001121365618 1371951159 /nfs/dbraw/zinc/95/11/59/1371951159.db2.gz IDLYOCZZNJCBMU-QMMMGPOBSA-N -1 0 340.214 3.233 20 30 EGEDRM N#Cc1ccc(Nc2ccc3c(cccc3S(=O)(=O)[O-])c2)cn1 ZINC001209616435 1372152325 /nfs/dbraw/zinc/15/23/25/1372152325.db2.gz VEVURFXTAORZNH-UHFFFAOYSA-N -1 0 325.349 3.097 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)cc(Cl)n1 ZINC001122415600 1372245190 /nfs/dbraw/zinc/24/51/90/1372245190.db2.gz JZRVUJVFECQZJQ-GFCCVEGCSA-N -1 0 337.770 3.059 20 30 EGEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cc3n(n2)CCCC3=O)s1 ZINC001122900003 1372338724 /nfs/dbraw/zinc/33/87/24/1372338724.db2.gz IPBLXQJJUKCVEN-JTQLQIEISA-N -1 0 342.424 3.104 20 30 EGEDRM Cc1ccc(Nc2ncc(C#N)cc2Br)cc1C(=O)[O-] ZINC001211594134 1372588070 /nfs/dbraw/zinc/58/80/70/1372588070.db2.gz NDFWCZYCCRFBOR-UHFFFAOYSA-N -1 0 332.157 3.466 20 30 EGEDRM Cc1cc(C#N)c([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)s1 ZINC001188041362 1388225909 /nfs/dbraw/zinc/22/59/09/1388225909.db2.gz KDZZCYPLBZXEFB-UHFFFAOYSA-N -1 0 348.236 3.431 20 30 EGEDRM Cc1csc(Nc2ccc(NC(=O)CCC(=O)[O-])cc2)c1C#N ZINC001213179467 1372853901 /nfs/dbraw/zinc/85/39/01/1372853901.db2.gz QQOYUMUSKVBMAE-UHFFFAOYSA-N -1 0 329.381 3.475 20 30 EGEDRM N#Cc1nn(-c2c(Cl)cc(C(=O)[O-])cc2Cl)c2ccc(N)cc12 ZINC001214517005 1373072368 /nfs/dbraw/zinc/07/23/68/1373072368.db2.gz MGVBKSGKYPLXKH-UHFFFAOYSA-N -1 0 347.161 3.484 20 30 EGEDRM N#Cc1cc(Nc2cc(C(=O)[O-])cnc2F)ccc1N1CCCC1 ZINC001215131811 1373175571 /nfs/dbraw/zinc/17/55/71/1373175571.db2.gz TUYBNGWVBTXMPZ-UHFFFAOYSA-N -1 0 326.331 3.134 20 30 EGEDRM N#Cc1cccc(Nc2ccc(Cl)cc2S(=O)(=O)[O-])c1F ZINC001216416566 1373306438 /nfs/dbraw/zinc/30/64/38/1373306438.db2.gz XOTXSYCNTJBXSK-UHFFFAOYSA-N -1 0 326.736 3.341 20 30 EGEDRM N#Cc1c([O-])csc1Nc1ccc(OC2CCOCC2)c(C#N)c1 ZINC001216665790 1373329029 /nfs/dbraw/zinc/32/90/29/1373329029.db2.gz GJABHHVICYITTN-UHFFFAOYSA-N -1 0 341.392 3.498 20 30 EGEDRM N#Cc1ccc(-c2nc(-c3ccncc3Br)no2)c([O-])c1 ZINC001217038840 1373381859 /nfs/dbraw/zinc/38/18/59/1373381859.db2.gz IOVUSKXBHNFWBQ-UHFFFAOYSA-N -1 0 343.140 3.138 20 30 EGEDRM N#Cc1ccc(-c2nc(-c3cccc(C(F)(F)F)n3)no2)c([O-])c1 ZINC001217039315 1373382025 /nfs/dbraw/zinc/38/20/25/1373382025.db2.gz QVACJUXYRKIFLL-UHFFFAOYSA-N -1 0 332.241 3.395 20 30 EGEDRM N#Cc1cc(NC(=O)c2ncsc2C(F)(F)F)c([O-])cc1F ZINC001188215200 1388267367 /nfs/dbraw/zinc/26/73/67/1388267367.db2.gz VMNSEXREDYVKCW-UHFFFAOYSA-N -1 0 331.250 3.131 20 30 EGEDRM C=CC[C@@H](NC(=O)Nc1ccc(C)c(-c2nc(C)co2)c1)C(=O)[O-] ZINC001326930109 1388354109 /nfs/dbraw/zinc/35/41/09/1388354109.db2.gz JGAVVNGPZSHXNL-CQSZACIVSA-N -1 0 329.356 3.109 20 30 EGEDRM CCOC(=O)c1cccc(NC(=O)Nc2cc(C#N)ccc2[O-])c1 ZINC001188672585 1388357528 /nfs/dbraw/zinc/35/75/28/1388357528.db2.gz LNVQXFPHNBMOQN-UHFFFAOYSA-N -1 0 325.324 3.085 20 30 EGEDRM N#CC[C@H](Oc1nc(C2CC2)[n-]c(=O)c1[N+](=O)[O-])c1ccccc1 ZINC001228604584 1375614176 /nfs/dbraw/zinc/61/41/76/1375614176.db2.gz VGPLBOWOAAKWPC-LBPRGKRZSA-N -1 0 326.312 3.002 20 30 EGEDRM C[C@@H](Oc1[n-]c(=O)ccc1C#N)c1ncc(C(F)(F)F)cc1F ZINC001228900236 1375708782 /nfs/dbraw/zinc/70/87/82/1375708782.db2.gz CVMONDKRBRMWHZ-SSDOTTSWSA-N -1 0 327.237 3.352 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2onc(C(C)(C)C)c2C#N)s1 ZINC001260680071 1377124926 /nfs/dbraw/zinc/12/49/26/1377124926.db2.gz YLECEFUJCOXNQB-UHFFFAOYSA-N -1 0 325.415 3.015 20 30 EGEDRM C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1[S-] ZINC001146226119 1378797734 /nfs/dbraw/zinc/79/77/34/1378797734.db2.gz LYPXBRFBHFNTNH-PIGZYNQJSA-N -1 0 334.441 3.383 20 30 EGEDRM N#Cc1cc(N)c(NC(=O)c2c([O-])ccc3ccccc32)cc1C#N ZINC001153505371 1380086026 /nfs/dbraw/zinc/08/60/26/1380086026.db2.gz VCWAVLCSJWSENE-UHFFFAOYSA-N -1 0 328.331 3.123 20 30 EGEDRM CC(=O)n1cc(C(=O)Nc2cc(C#N)c(F)cc2[O-])c2ccccc21 ZINC001154045661 1380190613 /nfs/dbraw/zinc/19/06/13/1380190613.db2.gz MUNCAHRNHJMIFM-UHFFFAOYSA-N -1 0 337.310 3.270 20 30 EGEDRM Cn1ccc2cc(NC(=O)c3cc(=O)c4cc(C#N)ccc4[n-]3)ccc21 ZINC001154556500 1380305501 /nfs/dbraw/zinc/30/55/01/1380305501.db2.gz SAPYFLBQTDXFJK-UHFFFAOYSA-N -1 0 342.358 3.144 20 30 EGEDRM C=C[C@@H](C)O[N-]C(=O)COc1ccc(Cl)cc1Br ZINC001328833681 1388883515 /nfs/dbraw/zinc/88/35/15/1388883515.db2.gz WFCJOGMJZWFRPU-MRVPVSSYSA-N -1 0 334.597 3.104 20 30 EGEDRM CCOC(=O)[C@@H](C#N)[N-]c1c(F)c(F)c(C(F)(F)F)c(F)c1F ZINC001170368444 1384302156 /nfs/dbraw/zinc/30/21/56/1384302156.db2.gz FZELQRDOHJTYJK-SCSAIBSYSA-N -1 0 344.186 3.129 20 30 EGEDRM CC(C)S(=O)(=O)c1ccc(Nc2cc(C#N)c(F)cc2[O-])cc1 ZINC001174271270 1385089025 /nfs/dbraw/zinc/08/90/25/1385089025.db2.gz KLAVAWFMCPZGFU-UHFFFAOYSA-N -1 0 334.372 3.329 20 30 EGEDRM COC(=O)c1ccc(Nc2ccc(C(=O)[O-])c(Cl)c2)c(C#N)c1 ZINC001175320511 1385251659 /nfs/dbraw/zinc/25/16/59/1385251659.db2.gz GKXLOKLGPDTFPB-UHFFFAOYSA-N -1 0 330.727 3.440 20 30 EGEDRM N#Cc1cc2cccnc2nc1Nc1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001176581178 1385630934 /nfs/dbraw/zinc/63/09/34/1385630934.db2.gz JNYMHVXPGUKORJ-UHFFFAOYSA-N -1 0 330.347 3.361 20 30 EGEDRM CC(=O)Nc1ccc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)cc1C#N ZINC001176589563 1385633964 /nfs/dbraw/zinc/63/39/64/1385633964.db2.gz IDRQJRVZMDCKSU-UHFFFAOYSA-N -1 0 335.363 3.376 20 30 EGEDRM CC(=NNc1cncc(Br)c1)c1cccc(C(=O)[O-])c1 ZINC001319732332 1386273848 /nfs/dbraw/zinc/27/38/48/1386273848.db2.gz GSPPXBDECMUVAE-UHFFFAOYSA-N -1 0 334.173 3.378 20 30 EGEDRM C=CC[C@H](NC(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001321166191 1386827685 /nfs/dbraw/zinc/82/76/85/1386827685.db2.gz AYVDCILGJMOLEU-MFKMUULPSA-N -1 0 329.318 3.345 20 30 EGEDRM C=CC[C@@H](NC(=O)N[C@@H](C)c1oc2ccc(OC)cc2c1C)C(=O)[O-] ZINC001321278049 1386864309 /nfs/dbraw/zinc/86/43/09/1386864309.db2.gz QZYAPPUPCFAVRF-SMDDNHRTSA-N -1 0 346.383 3.139 20 30 EGEDRM C=CC[C@H](NC(=O)Nc1ccc(Oc2ccc(C)cn2)cc1)C(=O)[O-] ZINC001321583480 1386934501 /nfs/dbraw/zinc/93/45/01/1386934501.db2.gz RDBXSNVUOFDJLQ-HNNXBMFYSA-N -1 0 341.367 3.333 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2nc3c(s2)C[C@@H](C)CC3)ccc1C#N ZINC001322148180 1387077313 /nfs/dbraw/zinc/07/73/13/1387077313.db2.gz DQWIHHOYTCUPNO-JTQLQIEISA-N -1 0 347.465 3.249 20 30 EGEDRM C=CC[C@@H](NC(=O)Nc1ccc(OCCC)c(Cl)c1)C(=O)[O-] ZINC001322513578 1387198806 /nfs/dbraw/zinc/19/88/06/1387198806.db2.gz JFCYQTJGDQIOLZ-GFCCVEGCSA-N -1 0 326.780 3.280 20 30 EGEDRM COCc1nocc1C([O-])=C(C#N)c1nc2ccccc2n1C(F)F ZINC001342614548 1390632754 /nfs/dbraw/zinc/63/27/54/1390632754.db2.gz FFKIRASGMRBGBA-VIFPVBQESA-N -1 0 346.293 3.056 20 30 EGEDRM CCn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N(C)c1cc(C)cc(C)c1 ZINC001342641263 1390635188 /nfs/dbraw/zinc/63/51/88/1390635188.db2.gz KGBNRHYIQPFIJN-UHFFFAOYSA-N -1 0 348.410 3.322 20 30 EGEDRM N#CC(=C([O-])c1cn2c(n1)CCCC2)c1nc2cc(F)ccc2s1 ZINC001343470640 1390716142 /nfs/dbraw/zinc/71/61/42/1390716142.db2.gz PJMKYYTYAFUAJL-LLVKDONJSA-N -1 0 340.383 3.458 20 30 EGEDRM C=CC[C@H](NC(=O)c1cc(-c2ccco2)nc2ccccc21)C(=O)[O-] ZINC001344553106 1390799197 /nfs/dbraw/zinc/79/91/97/1390799197.db2.gz OYZPZHNVHLLHLI-HNNXBMFYSA-N -1 0 336.347 3.254 20 30 EGEDRM C=CC[C@H](NC(=O)CCc1nc2cc(Cl)ccc2s1)C(=O)[O-] ZINC001344557276 1390799318 /nfs/dbraw/zinc/79/93/18/1390799318.db2.gz UJOPUEBSRQCNIP-JTQLQIEISA-N -1 0 338.816 3.028 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cc(Cl)nc(CC)c1 ZINC001346198968 1390914644 /nfs/dbraw/zinc/91/46/44/1390914644.db2.gz JEPZRBPBGSUCLK-CQSZACIVSA-N -1 0 335.835 3.316 20 30 EGEDRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1cccc(C#N)c1C ZINC001347550514 1391092004 /nfs/dbraw/zinc/09/20/04/1391092004.db2.gz IDHXGDBCDIAIRG-KRWDZBQOSA-N -1 0 342.420 3.078 20 30 EGEDRM Cc1ccc(C=CCC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC000822233597 1427673862 /nfs/dbraw/zinc/67/38/62/1427673862.db2.gz RTYQTPBBWGPUGL-IHWYPQMZSA-N -1 0 344.378 3.089 20 30 EGEDRM O=C(C=Cc1cccc(F)c1F)c1ccc(-c2nn[n-]n2)cc1F ZINC000826401287 1427716249 /nfs/dbraw/zinc/71/62/49/1427716249.db2.gz USQWZALRAJRSEP-FNORWQNLSA-N -1 0 330.269 3.180 20 30 EGEDRM CCC(Cc1cccs1)=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000820914874 1428713015 /nfs/dbraw/zinc/71/30/15/1428713015.db2.gz QVXZJXJLIHDABT-UHFFFAOYSA-N -1 0 326.429 3.027 20 30 EGEDRM C=C[C@@H](CC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823882579 1428985222 /nfs/dbraw/zinc/98/52/22/1428985222.db2.gz ACIDGAAAYOLJAQ-INIZCTEOSA-N -1 0 347.422 3.185 20 30 EGEDRM C=CCC(CC=C)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000819734984 1423569285 /nfs/dbraw/zinc/56/92/85/1423569285.db2.gz YISKSBFBVBYQLA-UHFFFAOYSA-N -1 0 328.420 3.130 20 30 EGEDRM C=C[C@@H](CC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000823883029 1424028786 /nfs/dbraw/zinc/02/87/86/1424028786.db2.gz IXCBGESPVPZZRH-GJZGRUSLSA-N -1 0 347.422 3.404 20 30 EGEDRM C[C@H](OC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccc(C#N)cc1 ZINC000820487761 1424979689 /nfs/dbraw/zinc/97/96/89/1424979689.db2.gz INLLLGQWIYDAKE-OEYXZAGESA-N -1 0 345.362 3.056 20 30 EGEDRM Cc1cc(C)cc(C(C)N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)c1 ZINC000823953765 1425056201 /nfs/dbraw/zinc/05/62/01/1425056201.db2.gz PCYYJSUSJXEMTF-UHFFFAOYSA-N -1 0 341.806 3.368 20 30 EGEDRM Cc1cc(C)c(-c2nn[n-]n2)c(SCC#Cc2ccc(F)cc2)n1 ZINC000822193388 1425246153 /nfs/dbraw/zinc/24/61/53/1425246153.db2.gz VVFNIQQODOVENC-UHFFFAOYSA-N -1 0 339.399 3.161 20 30 EGEDRM N#CCC1CCN(c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CC1 ZINC000826380981 1425526024 /nfs/dbraw/zinc/52/60/24/1425526024.db2.gz SPGLPWMZNNJNPB-UHFFFAOYSA-N -1 0 336.321 3.016 20 30 EGEDRM CCOc1ccc(C=N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c(O)c1 ZINC000821417799 1425704503 /nfs/dbraw/zinc/70/45/03/1425704503.db2.gz RYWABVYQWXTIKO-XHEYCZLTSA-N -1 0 337.383 3.151 20 30 EGEDRM Cc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc1[N+](=O)[O-] ZINC000826286066 1426430008 /nfs/dbraw/zinc/43/00/08/1426430008.db2.gz RHWQMUDJKBZSDI-PLNGDYQASA-N -1 0 341.352 3.041 20 30 EGEDRM C[C@@H]1C(=NNCc2ccc(-c3nn[n-]n3)cc2)C[C@@H]1c1ccccc1 ZINC000820642337 1426436233 /nfs/dbraw/zinc/43/62/33/1426436233.db2.gz IAHRFRYDQCMHJE-GUYCJALGSA-N -1 0 332.411 3.136 20 30 EGEDRM C[C@H](OC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1cccc(C#N)c1 ZINC000736153059 1426925015 /nfs/dbraw/zinc/92/50/15/1426925015.db2.gz PNTCUNXCUSVUPR-XPSMFNQNSA-N -1 0 345.362 3.056 20 30 EGEDRM C=CCSCCNc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000735436861 1427129356 /nfs/dbraw/zinc/12/93/56/1427129356.db2.gz RZLGLTVPTUGVMQ-UHFFFAOYSA-N -1 0 348.382 3.024 20 30 EGEDRM N#Cc1cc(F)ccc1CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000737704443 1427516500 /nfs/dbraw/zinc/51/65/00/1427516500.db2.gz INQDMLWGMBDNCM-UHFFFAOYSA-N -1 0 325.372 3.311 20 30 EGEDRM N#Cc1ccc(F)cc1CSc1ccc(-c2nn[n-]n2)cc1F ZINC000822829685 1427541011 /nfs/dbraw/zinc/54/10/11/1427541011.db2.gz DOACUKNVURISCU-UHFFFAOYSA-N -1 0 329.335 3.309 20 30 EGEDRM C[C@@H](N=Cc1cc(Cl)ccc1O)c1cccc(-c2nn[n-]n2)c1 ZINC000820307549 1427782373 /nfs/dbraw/zinc/78/23/73/1427782373.db2.gz NPWVDNZUNYRMCJ-PQQLAPNWSA-N -1 0 327.775 3.406 20 30 EGEDRM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1cc2ccccc2o1 ZINC000819772499 1427945263 /nfs/dbraw/zinc/94/52/63/1427945263.db2.gz DZBZFDUKJHLEGC-UHFFFAOYSA-N -1 0 332.367 3.127 20 30 EGEDRM O=C(C=Cc1cc(-n2ccnc2)cs1)c1cccc(-c2nn[n-]n2)c1 ZINC000826399970 1429932746 /nfs/dbraw/zinc/93/27/46/1429932746.db2.gz LRJWIDRCWHSNDI-SNAWJCMRSA-N -1 0 348.391 3.010 20 30 EGEDRM C[C@H](CC#N)OC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735976009 1441918621 /nfs/dbraw/zinc/91/86/21/1441918621.db2.gz SBHXOUMPQFVYDA-GFCCVEGCSA-N -1 0 349.350 3.118 20 30 EGEDRM C=C(C)CN(CC)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000735398099 1441928424 /nfs/dbraw/zinc/92/84/24/1441928424.db2.gz FOGSPKLOJPVPKU-UHFFFAOYSA-N -1 0 344.419 3.084 20 30 EGEDRM N#Cc1ccccc1CSCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737726999 1442088653 /nfs/dbraw/zinc/08/86/53/1442088653.db2.gz AULYBUJODZLZDM-UHFFFAOYSA-N -1 0 325.372 3.311 20 30 EGEDRM COc1ccc(C=C2Cc3c(cccc3C)C2=O)cc1-c1nn[n-]n1 ZINC000737081562 1442441955 /nfs/dbraw/zinc/44/19/55/1442441955.db2.gz GGERVLSZIIFETI-MDWZMJQESA-N -1 0 332.363 3.006 20 30 EGEDRM COc1ccc(Cl)cc1C(=O)C=Cc1cc(-c2nn[n-]n2)cs1 ZINC000821824509 1443634284 /nfs/dbraw/zinc/63/42/84/1443634284.db2.gz KWRNNURGFXQNNU-ARJAWSKDSA-N -1 0 346.799 3.486 20 30 EGEDRM CC1=CCC[C@@H](C)[C@@H]1CN=Nc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000824852630 1444033832 /nfs/dbraw/zinc/03/38/32/1444033832.db2.gz OSXCPCWUFZQIRA-VXGBXAGGSA-N -1 0 329.408 3.368 20 30 EGEDRM N#Cc1cnc(Oc2cc(Cl)ccc2-c2nnn[n-]2)c(Cl)c1 ZINC000822842337 1446152946 /nfs/dbraw/zinc/15/29/46/1446152946.db2.gz CQLARUDYMZRDMW-UHFFFAOYSA-N -1 0 333.138 3.232 20 30 EGEDRM Cc1ccc(-c2nc(C=NNc3cccc(-c4nn[n-]n4)c3)co2)cc1 ZINC000826273613 1447092035 /nfs/dbraw/zinc/09/20/35/1447092035.db2.gz MRGNWPNTERCHQE-UHFFFAOYSA-N -1 0 345.366 3.276 20 30 EGEDRM COc1cc(C)ccc1C(=O)C=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826178424 1447107112 /nfs/dbraw/zinc/10/71/12/1447107112.db2.gz XNRDZLVYAGYUQX-YVMONPNESA-N -1 0 338.342 3.219 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)Nc1ccc(OCCC)c(C(C)C)c1 ZINC001602688494 971290680 /nfs/dbraw/zinc/29/06/80/971290680.db2.gz NLAXHIPVSBFZGM-UHFFFAOYSA-N -1 0 332.400 3.151 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)Nc1ccc(SC(C)(C)C)c(F)c1 ZINC001602688540 971291556 /nfs/dbraw/zinc/29/15/56/971291556.db2.gz OZCZZGIJSGWSKT-UHFFFAOYSA-N -1 0 338.404 3.268 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)Nc1cccc(Cl)c1SC(C)C ZINC001602688905 971293562 /nfs/dbraw/zinc/29/35/62/971293562.db2.gz YVRYQSFVWWMPBB-UHFFFAOYSA-N -1 0 340.832 3.392 20 30 EGEDRM C#CCSc1ccc(COC(=O)c2coc(/C=C\C(=O)[O-])c2)cc1 ZINC001602704800 971337486 /nfs/dbraw/zinc/33/74/86/971337486.db2.gz ULCLKZZFLIILMA-YVMONPNESA-N -1 0 342.372 3.460 20 30 EGEDRM C=CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001602718397 971374415 /nfs/dbraw/zinc/37/44/15/971374415.db2.gz LOKQAMYEJYLUQB-AWEZNQCLSA-N -1 0 325.368 3.089 20 30 EGEDRM C=CCn1cc2ccc(NC(=O)c3coc(/C=C\C(=O)[O-])c3)cc2n1 ZINC001602730888 971410275 /nfs/dbraw/zinc/41/02/75/971410275.db2.gz IANQZNGUKQTIRK-WAYWQWQTSA-N -1 0 337.335 3.165 20 30 EGEDRM CCCC[C@H](ON=C(C)C)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589639567 949666192 /nfs/dbraw/zinc/66/61/92/949666192.db2.gz CAXPQNWXNZTJSE-XQLPTFJDSA-N -1 0 340.464 3.209 20 30 EGEDRM C[C@@H](CN(C)C(=O)Nc1cccc(C#Cc2ccccc2)c1)C(=O)[O-] ZINC001589028395 955507106 /nfs/dbraw/zinc/50/71/06/955507106.db2.gz HFHCQTUMGKYQQT-HNNXBMFYSA-N -1 0 336.391 3.271 20 30 EGEDRM CCCCCCCS(=O)(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000846770610 955729057 /nfs/dbraw/zinc/72/90/57/955729057.db2.gz VPFQMQJFXYIFBP-HZSPNIEDSA-N -1 0 333.494 3.012 20 30 EGEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001603079942 972149328 /nfs/dbraw/zinc/14/93/28/972149328.db2.gz AEYAJSNTCGAUOQ-YVMONPNESA-N -1 0 340.335 3.289 20 30 EGEDRM N#C[C@@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)c1c(Cl)cccc1Cl ZINC001594601446 956135214 /nfs/dbraw/zinc/13/52/14/956135214.db2.gz MMMPUBGSAAOTMF-YGOYTEALSA-N -1 0 341.194 3.175 20 30 EGEDRM N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)cc1 ZINC001594602526 956148500 /nfs/dbraw/zinc/14/85/00/956148500.db2.gz XOMXWLMSWLTXGP-BPQIPLTHSA-N -1 0 349.390 3.327 20 30 EGEDRM N#Cc1cc(Cl)c(C(=O)NCc2ccccc2C(=O)[O-])c(Cl)c1 ZINC001594617134 956246263 /nfs/dbraw/zinc/24/62/63/956246263.db2.gz ZFIDQJILEZJCNN-UHFFFAOYSA-N -1 0 349.173 3.493 20 30 EGEDRM N#Cc1ccc(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])cc1Cl ZINC001594617546 956251145 /nfs/dbraw/zinc/25/11/45/956251145.db2.gz FBMBHIJRBRCMBY-KMUNFCNLSA-N -1 0 332.787 3.070 20 30 EGEDRM N#Cc1ccc(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1F ZINC001594623150 956296104 /nfs/dbraw/zinc/29/61/04/956296104.db2.gz WQTJHAKCZLUZBP-ZBFHGGJFSA-N -1 0 339.326 3.132 20 30 EGEDRM N#Cc1cccc(-c2cc(C(=O)OCc3ccc(C(=O)[O-])cc3)on2)c1 ZINC001594626850 956320713 /nfs/dbraw/zinc/32/07/13/956320713.db2.gz JGRZPEYMTUULPU-UHFFFAOYSA-N -1 0 348.314 3.268 20 30 EGEDRM N#Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)c1 ZINC001594628606 956334105 /nfs/dbraw/zinc/33/41/05/956334105.db2.gz FWWRFFMWGJKZGK-ZSYWTGECSA-N -1 0 346.386 3.091 20 30 EGEDRM C[C@@H](SCC(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1)C(=O)[O-] ZINC001589169165 956454105 /nfs/dbraw/zinc/45/41/05/956454105.db2.gz VMBJYBAGKMBLDG-ZYHUDNBSSA-N -1 0 346.433 3.193 20 30 EGEDRM C=CCCC[C@H](NC(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1)c1ccccc1 ZINC000902698346 956772654 /nfs/dbraw/zinc/77/26/54/956772654.db2.gz LQWUEKRZNQHKTJ-KURKYZTESA-N -1 0 345.439 3.470 20 30 EGEDRM C#C[C@H](NC(=O)Nc1cccc(CC(=O)[O-])c1)c1ccc(Cl)cc1 ZINC001588385816 957973810 /nfs/dbraw/zinc/97/38/10/957973810.db2.gz JRMCPVLJWPEOMF-INIZCTEOSA-N -1 0 342.782 3.463 20 30 EGEDRM Cc1cc(F)c(C#N)cc1NC(=O)NCc1cccc(C(=O)[O-])c1 ZINC001594310890 958018262 /nfs/dbraw/zinc/01/82/62/958018262.db2.gz SASTYGAEUCQHED-UHFFFAOYSA-N -1 0 327.315 3.026 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)c1cc2sc3ccccc3c2s1 ZINC001588415835 958160099 /nfs/dbraw/zinc/16/00/99/958160099.db2.gz BCYJKZQYRISIGZ-UHFFFAOYSA-N -1 0 329.402 3.276 20 30 EGEDRM C[C@@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])C1(c2ccccc2)CCCC1 ZINC001603216703 972331477 /nfs/dbraw/zinc/33/14/77/972331477.db2.gz VHWIVOHVDZLVIA-KDOFPFPSSA-N -1 0 328.412 3.008 20 30 EGEDRM C=CCN(CCC#N)C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001588463277 958483362 /nfs/dbraw/zinc/48/33/62/958483362.db2.gz JQTHZGSZOGMTDW-UHFFFAOYSA-N -1 0 325.727 3.111 20 30 EGEDRM C#CCN(Cc1ccccc1)C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001573327572 958491279 /nfs/dbraw/zinc/49/12/79/958491279.db2.gz RDKQDKJQVZRTAU-RTBURBONSA-N -1 0 348.402 3.145 20 30 EGEDRM C=CCN(Cc1ccccc1F)C(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001588464291 958491649 /nfs/dbraw/zinc/49/16/49/958491649.db2.gz NEBOUOFZBKTSQA-UHFFFAOYSA-N -1 0 329.331 3.139 20 30 EGEDRM C=CCOc1ccc(CC(=O)N[C@@H](C(=O)[O-])c2cccc(C)c2)cc1 ZINC001573337018 958522241 /nfs/dbraw/zinc/52/22/41/958522241.db2.gz JDMJOQRVUKCPSB-LJQANCHMSA-N -1 0 339.391 3.044 20 30 EGEDRM C=C[C@@H]1OCC[C@H]1C(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](CC)C2 ZINC001588478250 958561526 /nfs/dbraw/zinc/56/15/26/958561526.db2.gz AIOXERMRABPTSI-LOWVWBTDSA-N -1 0 349.452 3.491 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)OCc1nc(C2CCCCC2)cs1 ZINC001588543701 958983639 /nfs/dbraw/zinc/98/36/39/958983639.db2.gz QLBUDYGVLACXDO-MRXNPFEDSA-N -1 0 336.413 3.239 20 30 EGEDRM O=C([O-])c1cccc(/C=C/C(=O)c2ccc(N3CCOCC3)cc2)c1 ZINC000158290322 959087215 /nfs/dbraw/zinc/08/72/15/959087215.db2.gz GGIVTSBNFHWZGZ-RUDMXATFSA-N -1 0 337.375 3.118 20 30 EGEDRM Cc1csc(NC(=O)N[C@H](C(=O)[O-])c2ccc(F)cc2)c1C#N ZINC001594440866 959263586 /nfs/dbraw/zinc/26/35/86/959263586.db2.gz SUKDLMCVHIBAIZ-LBPRGKRZSA-N -1 0 333.344 3.015 20 30 EGEDRM Cc1c(C#N)cccc1NC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001594252935 959627758 /nfs/dbraw/zinc/62/77/58/959627758.db2.gz KPZKOZDALPJFET-MRXNPFEDSA-N -1 0 335.363 3.083 20 30 EGEDRM CCCCN(Cc1ccccc1Cl)C(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC001573849151 961120536 /nfs/dbraw/zinc/12/05/36/961120536.db2.gz ODHOMWHVTCYFMI-QGZVFWFLSA-N -1 0 336.819 3.473 20 30 EGEDRM CC(C)(C)c1ccc([C@@H](C#N)NC(=O)[C@H](C(=O)[O-])C(C)(C)C)cc1 ZINC001588739559 961154604 /nfs/dbraw/zinc/15/46/04/961154604.db2.gz IQOIUZNYUMVEPU-HUUCEWRRSA-N -1 0 330.428 3.412 20 30 EGEDRM CC(C)[C@@H](C(=O)[O-])C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl ZINC001588804077 961454730 /nfs/dbraw/zinc/45/47/30/961454730.db2.gz MQXMMXCHMKKXSI-WDEREUQCSA-N -1 0 329.183 3.031 20 30 EGEDRM C#CCN(C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)[C@@H]1CCCc2ccccc21 ZINC001573301477 962628231 /nfs/dbraw/zinc/62/82/31/962628231.db2.gz CWYNFHFJTVBKGB-ZHALLVOQSA-N -1 0 339.435 3.417 20 30 EGEDRM CC(C)c1ccc2c(c1)[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])CCC2 ZINC001588969882 962666153 /nfs/dbraw/zinc/66/61/53/962666153.db2.gz RXTZKWJKMXXMNU-VQIMIIECSA-N -1 0 328.412 3.308 20 30 EGEDRM C#CC[C@@H](NC(=O)c1ccccc1NCCC1=CCCCC1)C(=O)[O-] ZINC001573303845 962683147 /nfs/dbraw/zinc/68/31/47/962683147.db2.gz UAEFQHNBEQLECW-GOSISDBHSA-N -1 0 340.423 3.195 20 30 EGEDRM C#Cc1cccc(N(Cc2cccs2)C(=O)[C@H]2CC[C@H]2C(=O)[O-])c1 ZINC001573313865 962739595 /nfs/dbraw/zinc/73/95/95/962739595.db2.gz SGCYMPCYPBPZTD-DLBZAZTESA-N -1 0 339.416 3.373 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N1CCCCC[C@@H]1CC(=O)c1ccccc1 ZINC001573333162 962851647 /nfs/dbraw/zinc/85/16/47/962851647.db2.gz XDOUKHUYVOLLHX-QGZVFWFLSA-N -1 0 343.423 3.452 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1cccc(Cl)c1OCC(F)F ZINC001573336399 962857972 /nfs/dbraw/zinc/85/79/72/962857972.db2.gz BQLBJFUGRIHVEF-UHFFFAOYSA-N -1 0 333.718 3.343 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1cnn(-c2cccc(Cl)c2)c1)C(=O)[O-] ZINC001573365875 963057615 /nfs/dbraw/zinc/05/76/15/963057615.db2.gz ISJGVNVZORIOPC-HNNXBMFYSA-N -1 0 347.802 3.065 20 30 EGEDRM C[C@@H](CC(=O)[O-])NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC001609884963 970571596 /nfs/dbraw/zinc/57/15/96/970571596.db2.gz CBYAQKNUELKDJK-NSHDSACASA-N -1 0 342.326 3.083 20 30 EGEDRM C[C@@H]1Cc2c(C#N)c(NC(=O)C3(C(=O)[O-])CCC3)sc2[C@@H](C)C1 ZINC001603476848 973372414 /nfs/dbraw/zinc/37/24/14/973372414.db2.gz ZFBWICWCYPTGPF-UWVGGRQHSA-N -1 0 332.425 3.499 20 30 EGEDRM N#Cc1c(Br)cccc1N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000405372780 973854755 /nfs/dbraw/zinc/85/47/55/973854755.db2.gz RAPPJSUODNZWFI-NSHDSACASA-N -1 0 335.201 3.012 20 30 EGEDRM N#CCCCOc1cccc(NC(=O)[C@@]2(C(=O)[O-])CC=CCC2)c1 ZINC001605582261 973865433 /nfs/dbraw/zinc/86/54/33/973865433.db2.gz XUAHNICFKNORIL-GOSISDBHSA-N -1 0 328.368 3.119 20 30 EGEDRM N#Cc1c(NC(=O)/C=C\c2ccc(C(=O)[O-])o2)sc2c1CCC2 ZINC001605590979 973886037 /nfs/dbraw/zinc/88/60/37/973886037.db2.gz RGJLHKXBVCECLE-ALCCZGGFSA-N -1 0 328.349 3.052 20 30 EGEDRM N#Cc1ccc(-c2cccc(CNC(=O)CCCC(=O)[O-])c2)s1 ZINC001605597477 973899001 /nfs/dbraw/zinc/89/90/01/973899001.db2.gz UKOQBTDDSUMARD-UHFFFAOYSA-N -1 0 328.393 3.158 20 30 EGEDRM N#Cc1ccc(NC(=O)NCc2ccccc2C(=O)[O-])cc1Cl ZINC001605611946 973921358 /nfs/dbraw/zinc/92/13/58/973921358.db2.gz AYZIHTWTMUUBPD-UHFFFAOYSA-N -1 0 329.743 3.232 20 30 EGEDRM N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001605612272 973924664 /nfs/dbraw/zinc/92/46/64/973924664.db2.gz JXFVCSHTRNFGHH-HNNXBMFYSA-N -1 0 339.326 3.205 20 30 EGEDRM CC(C)Oc1ccc(NC(=O)c2ccc(/C=C/C(=O)[O-])o2)cc1C#N ZINC001591788126 975967918 /nfs/dbraw/zinc/96/79/18/975967918.db2.gz NJXCELCWIZDROF-VMPITWQZSA-N -1 0 340.335 3.289 20 30 EGEDRM C[C@@H](CC#N)Sc1ccccc1NC(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001592226291 977417457 /nfs/dbraw/zinc/41/74/57/977417457.db2.gz WDILBPVJIWXOAJ-FRRDWIJNSA-N -1 0 347.440 3.265 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1NN=Cc1c[nH]nc1-c1cccs1 ZINC000756899003 978700647 /nfs/dbraw/zinc/70/06/47/978700647.db2.gz LDHCQJJLQWAGGV-UHFFFAOYSA-N -1 0 342.380 3.291 20 30 EGEDRM O=C([O-])c1ccc(N=NCc2ccc(-c3ccncc3)cc2F)nc1 ZINC000763370742 978721975 /nfs/dbraw/zinc/72/19/75/978721975.db2.gz VFEFEQFQSLLNFI-UHFFFAOYSA-N -1 0 336.326 3.427 20 30 EGEDRM O=C([O-])C[C@H](NC(=O)c1ccc(C#Cc2ccccc2)cc1)C1CC1 ZINC000776634425 978763327 /nfs/dbraw/zinc/76/33/27/978763327.db2.gz ZKHOGODGMZVMMX-IBGZPJMESA-N -1 0 333.387 3.070 20 30 EGEDRM CCc1cccc2c1OC/C(=C/c1ccc(OCC(=O)[O-])cc1)C2=O ZINC000794728487 978818381 /nfs/dbraw/zinc/81/83/81/978818381.db2.gz RJIBNDSGNALGBI-GDNBJRDFSA-N -1 0 338.359 3.371 20 30 EGEDRM COc1ccc(CC(C)N=Nc2ccc(C(=O)[O-])cn2)c(C)c1OC ZINC000814889910 978896907 /nfs/dbraw/zinc/89/69/07/978896907.db2.gz DBNPNJFUVQNICL-UHFFFAOYSA-N -1 0 343.383 3.136 20 30 EGEDRM COc1ccc(NN=Cc2c[nH]c(C(=O)[O-])c2)c(C(F)(F)F)c1 ZINC000814937442 978899576 /nfs/dbraw/zinc/89/95/76/978899576.db2.gz GNLIJWGJLQNNQA-UHFFFAOYSA-N -1 0 327.262 3.186 20 30 EGEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCc2c(cccc2C(=O)[O-])C1 ZINC001592834190 979573517 /nfs/dbraw/zinc/57/35/17/979573517.db2.gz MFGKZKWSTWRFIF-AWEZNQCLSA-N -1 0 348.402 3.020 20 30 EGEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCc2ccc(C(=O)[O-])cc21 ZINC001592834172 979573774 /nfs/dbraw/zinc/57/37/74/979573774.db2.gz LVOURYJVDWFUAD-CYBMUJFWSA-N -1 0 334.375 3.024 20 30 EGEDRM C=C(C)C[C@H](NC(=O)/C=C/c1csc(C(F)(F)F)c1)C(=O)[O-] ZINC000864188259 979836473 /nfs/dbraw/zinc/83/64/73/979836473.db2.gz RRRPWBUSLKITPV-FSIBCCDJSA-N -1 0 333.331 3.316 20 30 EGEDRM CSc1ccc(CNC(=O)CC2(CC(=O)[O-])CCCC2)cc1C#N ZINC000887319164 980215105 /nfs/dbraw/zinc/21/51/05/980215105.db2.gz MUSCDWCCXCGXKM-UHFFFAOYSA-N -1 0 346.452 3.322 20 30 EGEDRM C=CC[C@@H](C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1)c1ccccc1 ZINC000909597825 981549021 /nfs/dbraw/zinc/54/90/21/981549021.db2.gz DTHARBWLWOYXKH-OAHLLOKOSA-N -1 0 327.384 3.001 20 30 EGEDRM CCCC[C@@H](ON=C(C)C)C(=O)N1CCc2c1cccc2C(=O)[O-] ZINC001595651104 982017582 /nfs/dbraw/zinc/01/75/82/982017582.db2.gz BYVWLLCSFBGDLP-MRXNPFEDSA-N -1 0 332.400 3.245 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1ccc(C)cc1Br)C(=O)[O-] ZINC000910911727 982160897 /nfs/dbraw/zinc/16/08/97/982160897.db2.gz HFXQRILNWNKBPK-CYBMUJFWSA-N -1 0 340.217 3.297 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1[nH]c(C)c(C(C)=O)c1CCC)C(=O)[O-] ZINC000910914073 982161682 /nfs/dbraw/zinc/16/16/82/982161682.db2.gz HAGXKEPZWGJLEX-CQSZACIVSA-N -1 0 334.416 3.018 20 30 EGEDRM CCCCCCCC[C@@H](C)CC(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001595704758 982278562 /nfs/dbraw/zinc/27/85/62/982278562.db2.gz GPBMUHMLPBNLNN-PMPSAXMXSA-N -1 0 327.465 3.464 20 30 EGEDRM CCCCCCCCOCC(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC001595704726 982278944 /nfs/dbraw/zinc/27/89/44/982278944.db2.gz XFSLHHNOYRRVRS-QGZVFWFLSA-N -1 0 349.427 3.242 20 30 EGEDRM CCCCOc1ccc(N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cn1 ZINC001595780536 982549983 /nfs/dbraw/zinc/54/99/83/982549983.db2.gz FGRHAUYEMFFSKP-QGZVFWFLSA-N -1 0 325.368 3.370 20 30 EGEDRM O=C([O-])c1ccc(CN=Nc2ncnc3sc4c(c32)CCC4)cc1 ZINC000916309975 982674081 /nfs/dbraw/zinc/67/40/81/982674081.db2.gz RATLKBRRGKDMDV-UHFFFAOYSA-N -1 0 338.392 3.324 20 30 EGEDRM CCC(C#N)(CC)C(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1 ZINC000923107905 982730045 /nfs/dbraw/zinc/73/00/45/982730045.db2.gz CKHBJFHMVABYJK-UHFFFAOYSA-N -1 0 343.427 3.118 20 30 EGEDRM C#C[C@](C)(CC)NC(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC001588367506 983299198 /nfs/dbraw/zinc/29/91/98/983299198.db2.gz WMVUFDNPKRNBES-LJQANCHMSA-N -1 0 343.427 3.299 20 30 EGEDRM C#C[C@H](NC(=O)c1[nH]c(CC)c(C(=O)[O-])c1C)c1ccc(Cl)cc1 ZINC001588373306 983337329 /nfs/dbraw/zinc/33/73/29/983337329.db2.gz CPFRGESEBSDJCA-ZDUSSCGKSA-N -1 0 344.798 3.341 20 30 EGEDRM C#CC[C@H](NC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC001588407561 983428783 /nfs/dbraw/zinc/42/87/83/983428783.db2.gz KDPBPKGPCCVFJY-OALUTQOASA-N -1 0 348.402 3.145 20 30 EGEDRM C#CCCOc1ccc(C(=O)NCCCCC2(C(=O)[O-])CCC2)cc1 ZINC001588455183 983479079 /nfs/dbraw/zinc/47/90/79/983479079.db2.gz GOYBAXFHOSUKQL-UHFFFAOYSA-N -1 0 343.423 3.244 20 30 EGEDRM C#CCN(C(=O)NCC(C)(C)CC(=O)[O-])[C@@H]1CCCc2ccccc21 ZINC001588459692 983485855 /nfs/dbraw/zinc/48/58/55/983485855.db2.gz IBOYGWGWHYDGST-QGZVFWFLSA-N -1 0 342.439 3.210 20 30 EGEDRM C#CCN(Cc1ccccc1)C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC001588470003 983504560 /nfs/dbraw/zinc/50/45/60/983504560.db2.gz YILIBZZABRRMJM-UHFFFAOYSA-N -1 0 326.327 3.191 20 30 EGEDRM C#CCOc1ccccc1-c1noc([C@H]2CCCC[C@H]2C(=O)[O-])n1 ZINC001588503972 983545873 /nfs/dbraw/zinc/54/58/73/983545873.db2.gz BGDHTDKSCFUYFM-QWHCGFSZSA-N -1 0 326.352 3.107 20 30 EGEDRM C#Cc1ccc(CNC(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)cc1 ZINC001588517615 983565667 /nfs/dbraw/zinc/56/56/67/983565667.db2.gz XLONXUJSXOELAI-UHFFFAOYSA-N -1 0 346.745 3.480 20 30 EGEDRM C#Cc1cccc(NC(=O)N[C@H](C)[C@@H](Cc2ccccc2)C(=O)[O-])c1 ZINC001588524657 983575742 /nfs/dbraw/zinc/57/57/42/983575742.db2.gz PJMBXYJVMJTHCV-RDTXWAMCSA-N -1 0 336.391 3.121 20 30 EGEDRM C=C(C)COc1cccc(NC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c1 ZINC001588573624 983653632 /nfs/dbraw/zinc/65/36/32/983653632.db2.gz RSBOMBWMGWFKHS-DLBZAZTESA-N -1 0 344.411 3.216 20 30 EGEDRM C=C(C)Cc1cccc(C(=O)OC)c1OCc1nc(C(=O)[O-])cs1 ZINC001588577131 983655360 /nfs/dbraw/zinc/65/53/60/983655360.db2.gz MIHRTROAJADIEV-UHFFFAOYSA-N -1 0 347.392 3.326 20 30 EGEDRM C=C(C)c1cccc(NC(=O)NCc2cc(C(=O)[O-])c(C)n2C)c1 ZINC001588606303 983697334 /nfs/dbraw/zinc/69/73/34/983697334.db2.gz VYSZNYPCUDVCKU-UHFFFAOYSA-N -1 0 327.384 3.387 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC001588615240 983711146 /nfs/dbraw/zinc/71/11/46/983711146.db2.gz NZIPWNRZBOOGIW-HNNXBMFYSA-N -1 0 326.396 3.295 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)NCCCO[C@@H]1CCCc2ccccc21 ZINC001588624535 983733295 /nfs/dbraw/zinc/73/32/95/983733295.db2.gz MFPKCUZNZSTNFC-QGZVFWFLSA-N -1 0 331.412 3.008 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)NCc1cn(-c2ccccc2)nc1C(C)C ZINC001588629463 983737344 /nfs/dbraw/zinc/73/73/44/983737344.db2.gz BSGPRELJKXHDRZ-UHFFFAOYSA-N -1 0 341.411 3.033 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc2cc(OC)c(OC)cc2c1 ZINC001588634093 983752101 /nfs/dbraw/zinc/75/21/01/983752101.db2.gz RDSXZFPQRDDEOB-UHFFFAOYSA-N -1 0 329.352 3.217 20 30 EGEDRM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1nc2c(s1)CC[C@@H](C(=O)[O-])C2 ZINC001588644220 983768665 /nfs/dbraw/zinc/76/86/65/983768665.db2.gz IALLKLNSPZMXPX-UTUOFQBUSA-N -1 0 347.440 3.048 20 30 EGEDRM C=C1CCC(CNC(=O)Nc2ccc(C(=O)OC)c(C(=O)[O-])c2)CC1 ZINC001588650067 983771610 /nfs/dbraw/zinc/77/16/10/983771610.db2.gz WISNYZGFFXMVDE-UHFFFAOYSA-N -1 0 346.383 3.039 20 30 EGEDRM C=C[C@H](C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21)c1ccccc1 ZINC001588661090 983785862 /nfs/dbraw/zinc/78/58/62/983785862.db2.gz DQDDKNAENTZSRF-MHORFTMASA-N -1 0 327.424 3.448 20 30 EGEDRM C=CC(C)(C)NC(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)F ZINC001588680637 983836121 /nfs/dbraw/zinc/83/61/21/983836121.db2.gz CGTNHABICZZWSN-UHFFFAOYSA-N -1 0 328.315 3.115 20 30 EGEDRM C=C[C@](C)(CCOC)C(=O)NC[C@@H](C(=O)[O-])C1CCCCCC1 ZINC001588681639 983841730 /nfs/dbraw/zinc/84/17/30/983841730.db2.gz BSRJHJQUEOMCOW-CRAIPNDOSA-N -1 0 325.449 3.003 20 30 EGEDRM C=CC[C@@H](C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)[O-])c1ccccc1 ZINC001588720577 983968444 /nfs/dbraw/zinc/96/84/44/983968444.db2.gz BBYFLVMDRLQEDQ-QZTJIDSGSA-N -1 0 341.382 3.298 20 30 EGEDRM C=CCC(C)(C)Cn1c(N2CC[C@@H](C(=O)[O-])C2)nnc1C(C)(C)C ZINC001588736558 984026004 /nfs/dbraw/zinc/02/60/04/984026004.db2.gz PGXQBYHATMJNMP-CYBMUJFWSA-N -1 0 334.464 3.089 20 30 EGEDRM C=CC[C@@H](OC(=O)/C(C)=C/c1ccc(Br)o1)C(=O)[O-] ZINC001588750260 984070423 /nfs/dbraw/zinc/07/04/23/984070423.db2.gz DIQGEYFLFGMGKO-QROSGCPLSA-N -1 0 329.146 3.018 20 30 EGEDRM C=CC[C@H](OC(=O)c1cc(Br)cn1C(C)C)C(=O)[O-] ZINC001588755575 984094797 /nfs/dbraw/zinc/09/47/97/984094797.db2.gz AOLYVKIRCHYFMS-NSHDSACASA-N -1 0 330.178 3.018 20 30 EGEDRM C=CCC1(NS(=O)(=O)c2cc(F)ccc2C(=O)[O-])CCCCC1 ZINC001588769445 984133575 /nfs/dbraw/zinc/13/35/75/984133575.db2.gz UNYOXAPAEHDAAV-UHFFFAOYSA-N -1 0 341.404 3.081 20 30 EGEDRM C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC(C)(C)c1nocc1C(=O)[O-] ZINC001588771346 984139212 /nfs/dbraw/zinc/13/92/12/984139212.db2.gz SDPSDUUAOXOSIJ-YPMHNXCESA-N -1 0 335.404 3.042 20 30 EGEDRM C=CC[C@H]1CCCC[C@H]1NS(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC001588771693 984140767 /nfs/dbraw/zinc/14/07/67/984140767.db2.gz YBGBGQJJJVBHAK-DZGCQCFKSA-N -1 0 337.441 3.106 20 30 EGEDRM C=CC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC001588771696 984140843 /nfs/dbraw/zinc/14/08/43/984140843.db2.gz YBGBGQJJJVBHAK-ZFWWWQNUSA-N -1 0 337.441 3.106 20 30 EGEDRM C=CCCC(C)(C)CNC(=O)Nc1ccc(C(=O)OC)c(C(=O)[O-])c1 ZINC001588776771 984153103 /nfs/dbraw/zinc/15/31/03/984153103.db2.gz GDECYQFXVLLGSU-UHFFFAOYSA-N -1 0 348.399 3.285 20 30 EGEDRM C=CCCC[C@@H](NC(=O)C1(c2cccc(OC)c2)CCCC1)C(=O)[O-] ZINC001588789475 984198404 /nfs/dbraw/zinc/19/84/04/984198404.db2.gz CBEVDBLWHJKLRM-QGZVFWFLSA-N -1 0 345.439 3.433 20 30 EGEDRM C=CCCC[C@@H](NC(=O)/C=C\Sc1cc(F)ccc1F)C(=O)[O-] ZINC001588789740 984200996 /nfs/dbraw/zinc/20/09/96/984200996.db2.gz ISJKQLRAFMHXCB-LJTDUEICSA-N -1 0 341.379 3.496 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1ccc(N2CCC(C)CC2)cc1)C(=O)[O-] ZINC001588793633 984220622 /nfs/dbraw/zinc/22/06/22/984220622.db2.gz VKWZBRPSCKAIKB-GOSISDBHSA-N -1 0 344.455 3.462 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1[nH]c(-c2cccc(C)c2)nc1C)C(=O)[O-] ZINC001588798011 984232819 /nfs/dbraw/zinc/23/28/19/984232819.db2.gz RDSFKGSRCLXTHK-OAHLLOKOSA-N -1 0 341.411 3.233 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1ncccc1Oc1ccccc1)C(=O)[O-] ZINC001588798246 984234374 /nfs/dbraw/zinc/23/43/74/984234374.db2.gz YOMSXSNXRBVAJH-HNNXBMFYSA-N -1 0 340.379 3.413 20 30 EGEDRM C=CCCCCNC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC001588802759 984251240 /nfs/dbraw/zinc/25/12/40/984251240.db2.gz XRRFUWCTGUUJOJ-UHFFFAOYSA-N -1 0 328.315 3.464 20 30 EGEDRM C=CCN(Cc1ccccc1)C(=O)Nc1cc(C)c(C(=O)[O-])cn1 ZINC001588832930 984327306 /nfs/dbraw/zinc/32/73/06/984327306.db2.gz YLBDGQODMSLLTQ-UHFFFAOYSA-N -1 0 325.368 3.308 20 30 EGEDRM C=CCNc1ncc(C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)s1 ZINC001588849376 984371089 /nfs/dbraw/zinc/37/10/89/984371089.db2.gz MYARYJJESVLDRQ-SNVBAGLBSA-N -1 0 331.397 3.181 20 30 EGEDRM C=CCNc1ncc(C(=O)Nc2sc(C)c(C)c2C(=O)[O-])s1 ZINC001588849505 984372282 /nfs/dbraw/zinc/37/22/82/984372282.db2.gz VRWQVGBIQLBXQF-UHFFFAOYSA-N -1 0 337.426 3.370 20 30 EGEDRM C=CCOc1cc(OC)ccc1C(=O)OCc1cc(C)c(C(=O)[O-])o1 ZINC001588869472 984438921 /nfs/dbraw/zinc/43/89/21/984438921.db2.gz CVHFUXPDSDYLNE-UHFFFAOYSA-N -1 0 346.335 3.217 20 30 EGEDRM C=CCOc1ccc(OC(=O)[C@]2(C(=O)[O-])C[C@@H]2c2ccccc2)cc1 ZINC001588872862 984443177 /nfs/dbraw/zinc/44/31/77/984443177.db2.gz ODSPNPYXVJYLRY-YLJYHZDGSA-N -1 0 338.359 3.415 20 30 EGEDRM C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H](C)/C=C\C(=O)[O-] ZINC001588874772 984449000 /nfs/dbraw/zinc/44/90/00/984449000.db2.gz FWRIJLZVGUVNGK-VAWSOJLPSA-N -1 0 343.301 3.029 20 30 EGEDRM C=CCn1c(-c2cc(C)cs2)nnc1N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001588886125 984470450 /nfs/dbraw/zinc/47/04/50/984470450.db2.gz AHUUOMGDUYSOFG-QGZVFWFLSA-N -1 0 346.456 3.192 20 30 EGEDRM C=CCc1ccc(OC(=O)C2(C(=O)[O-])CC3(CCC3)C2)c(OC)c1 ZINC001588885905 984470490 /nfs/dbraw/zinc/47/04/90/984470490.db2.gz ZBFDNVVYSAVVAI-UHFFFAOYSA-N -1 0 330.380 3.364 20 30 EGEDRM C=CCn1c(CC[C@@H](C)CCC)nnc1N1CCC(C(=O)[O-])CC1 ZINC001588896915 984505651 /nfs/dbraw/zinc/50/56/51/984505651.db2.gz GFQKZZIATNTWFU-AWEZNQCLSA-N -1 0 334.464 3.134 20 30 EGEDRM C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](CC(=O)[O-])c1cccc2ccccc21 ZINC001588916438 984560728 /nfs/dbraw/zinc/56/07/28/984560728.db2.gz MMYRJHSOVVKOJH-KURKYZTESA-N -1 0 339.391 3.063 20 30 EGEDRM CCOC(=O)Nc1ccc(N[C@@H]2C[C@@H]3C[C@H](C(=O)[O-])C[C@@H]23)cc1C#N ZINC001596667533 984734315 /nfs/dbraw/zinc/73/43/15/984734315.db2.gz YCNOZLGTFWXYLJ-FNNPODNZSA-N -1 0 343.383 3.038 20 30 EGEDRM CCOC(=O)c1[nH]c(C)c(C=NNc2ccc(F)c(C(=O)[O-])c2)c1C ZINC001596692331 984811967 /nfs/dbraw/zinc/81/19/67/984811967.db2.gz USCDFNZQVOTEBT-UHFFFAOYSA-N -1 0 347.346 3.092 20 30 EGEDRM CC(N=Nc1cccc(F)c1C(=O)[O-])c1ccc2[nH]c(=O)oc2c1 ZINC001589017507 985005290 /nfs/dbraw/zinc/00/52/90/985005290.db2.gz SZTBLHIEPWHRNV-UHFFFAOYSA-N -1 0 329.287 3.207 20 30 EGEDRM Cc1c2cc(C#N)ccc2sc1C(=O)N(CCC(=O)[O-])C(C)C ZINC001599974597 986068735 /nfs/dbraw/zinc/06/87/35/986068735.db2.gz WTWQJIRUCWFERS-UHFFFAOYSA-N -1 0 330.409 3.407 20 30 EGEDRM CCOc1ccc(C(=O)/C=C\c2ccoc2C(=O)[O-])cc1[N+](=O)[O-] ZINC001597056230 986541418 /nfs/dbraw/zinc/54/14/18/986541418.db2.gz YFUXVDPSUQUORU-HYXAFXHYSA-N -1 0 331.280 3.181 20 30 EGEDRM CCOc1ccc(O)c(/C=N\[C@@H]2CCSC3(CC(C(=O)[O-])C3)C2)c1 ZINC001597129583 986839801 /nfs/dbraw/zinc/83/98/01/986839801.db2.gz FFLBVNWUDYCALL-PAIMMUFVSA-N -1 0 349.452 3.339 20 30 EGEDRM CC(C)(C(=O)[O-])[C@@H](NC(=O)N1CCC[C@H](CC#N)C1)c1ccccc1 ZINC001589593941 987408977 /nfs/dbraw/zinc/40/89/77/987408977.db2.gz JOUJFMPKHHQVIG-ZBFHGGJFSA-N -1 0 343.427 3.174 20 30 EGEDRM CCc1nn(C)c(CC)c1C=NNc1ccc(C(=O)[O-])c(Cl)c1 ZINC001597712398 988975578 /nfs/dbraw/zinc/97/55/78/988975578.db2.gz QDFBCSNVFGASMV-UHFFFAOYSA-N -1 0 334.807 3.343 20 30 EGEDRM C[C@@H]1CN(C(=O)Nc2ccc(C3CC3)c(C#N)c2)C[C@H]1CC(=O)[O-] ZINC001599859477 989144450 /nfs/dbraw/zinc/14/44/50/989144450.db2.gz JYXQKPWNSIUNAY-BXUZGUMPSA-N -1 0 327.384 3.010 20 30 EGEDRM CC(C)(C)c1ccc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)nc1 ZINC001590481647 990075390 /nfs/dbraw/zinc/07/53/90/990075390.db2.gz MRDJJSSJHCZZAY-INIZCTEOSA-N -1 0 338.363 3.233 20 30 EGEDRM CN(CCc1cccc(C#N)c1)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC001598500391 992427732 /nfs/dbraw/zinc/42/77/32/992427732.db2.gz WMTNAVQHKJDRIN-UHFFFAOYSA-N -1 0 341.342 3.102 20 30 EGEDRM CN(Cc1csc(C#N)c1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001598533325 992814325 /nfs/dbraw/zinc/81/43/25/992814325.db2.gz IPNYKZDUTAEKDI-AWEZNQCLSA-N -1 0 340.326 3.295 20 30 EGEDRM COc1cccc(C(=O)[O-])c1OC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC001599643457 994390322 /nfs/dbraw/zinc/39/03/22/994390322.db2.gz ISSDPWRXSGOISM-UHFFFAOYSA-N -1 0 339.347 3.414 20 30 EGEDRM C[C@H](Oc1ccccc1C=NNC1CCC(F)(F)CC1)C(=O)[O-] ZINC001593644234 995958349 /nfs/dbraw/zinc/95/83/49/995958349.db2.gz GJPHWJIGIZRQMO-NSHDSACASA-N -1 0 326.343 3.040 20 30 EGEDRM C[C@H](c1cccc(C#N)c1)N(C)C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001593698089 996161382 /nfs/dbraw/zinc/16/13/82/996161382.db2.gz FATXJYFLVJADNH-LLVKDONJSA-N -1 0 326.327 3.229 20 30 EGEDRM CC(C)(C)c1csc(NC(=O)N2CC[C@@](C)(C(=O)[O-])C2)c1C#N ZINC001593792473 996508393 /nfs/dbraw/zinc/50/83/93/996508393.db2.gz CWEPYSDPJYMTRB-MRXNPFEDSA-N -1 0 335.429 3.246 20 30 EGEDRM COc1cc(C)c(/C=C/C(=O)c2ccc(OCC(=O)[O-])cc2)c(C)n1 ZINC001599390819 997031291 /nfs/dbraw/zinc/03/12/91/997031291.db2.gz PXOJFNAWZCEZLM-CMDGGOBGSA-N -1 0 341.363 3.067 20 30 EGEDRM CON(Cc1cccc(C(=O)[O-])c1C#N)[C@H](C)c1csc(C)n1 ZINC001599319294 997553005 /nfs/dbraw/zinc/55/30/05/997553005.db2.gz UVWMXLZNRIZWCB-SNVBAGLBSA-N -1 0 331.397 3.146 20 30 EGEDRM COC(=O)c1cc(NCc2ccc(Cl)cc2C#N)cc(C(=O)[O-])c1 ZINC001598947984 998091757 /nfs/dbraw/zinc/09/17/57/998091757.db2.gz GLOAGUOZPLIXKS-UHFFFAOYSA-N -1 0 344.754 3.309 20 30 EGEDRM C[C@H]1CC[C@](NC(=O)C#Cc2ccccc2)(C(=O)[O-])c2ccccc21 ZINC001594324365 999251397 /nfs/dbraw/zinc/25/13/97/999251397.db2.gz WRDHWDZRASXUJY-YCRPNKLZSA-N -1 0 333.387 3.032 20 30 EGEDRM Cc1ccc(N(CCC#N)C(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000097374747 219018482 /nfs/dbraw/zinc/01/84/82/219018482.db2.gz ACKXCHDOBIUQGB-UHFFFAOYSA-N -1 0 325.324 3.169 20 30 EGEDRM CCc1sc(C(=O)OCC([O-])=C(C#N)c2nc(C)cs2)cc1C ZINC000007837061 258053345 /nfs/dbraw/zinc/05/33/45/258053345.db2.gz DIKBINNYHMZEFP-NSHDSACASA-N -1 0 348.449 3.417 20 30 EGEDRM N#Cc1cccc(CCNC(=O)CC2(CC(=O)[O-])CCCCC2)c1 ZINC000344558767 141173494 /nfs/dbraw/zinc/17/34/94/141173494.db2.gz YQXJZQGSEOEZDF-UHFFFAOYSA-N -1 0 328.412 3.032 20 30 EGEDRM COc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000121236028 152336482 /nfs/dbraw/zinc/33/64/82/152336482.db2.gz KYPCEJBFUXEERM-UHFFFAOYSA-N -1 0 340.763 3.160 20 30 EGEDRM N#Cc1cncc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)c1 ZINC000312958662 154153154 /nfs/dbraw/zinc/15/31/54/154153154.db2.gz SXXVPLBAKTZUOQ-UHFFFAOYSA-N -1 0 328.180 3.061 20 30 EGEDRM N#Cc1cccc(-n2ccc(C(=O)Nc3cccc(Cl)c3[O-])n2)c1 ZINC000336978653 154253402 /nfs/dbraw/zinc/25/34/02/154253402.db2.gz BBOBYDNCBMWVJV-UHFFFAOYSA-N -1 0 338.754 3.355 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccnc2Nc2ccccc2)o1 ZINC000342492793 163893353 /nfs/dbraw/zinc/89/33/53/163893353.db2.gz QDDQLSSGORVIDG-UHFFFAOYSA-N -1 0 340.364 3.091 20 30 EGEDRM C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1cc(Cl)c([O-])cc1F ZINC000345648828 164234003 /nfs/dbraw/zinc/23/40/03/164234003.db2.gz HGQJQOGXXRSNDS-SECBINFHSA-N -1 0 334.734 3.462 20 30 EGEDRM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cnc2ccsc2c1 ZINC000350866705 165075274 /nfs/dbraw/zinc/07/52/74/165075274.db2.gz FGFLWBBIPXXSSS-UHFFFAOYSA-N -1 0 344.421 3.010 20 30 EGEDRM CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000355972297 166363174 /nfs/dbraw/zinc/36/31/74/166363174.db2.gz RKUIWNTVLQQNSR-UHFFFAOYSA-N -1 0 339.351 3.223 20 30 EGEDRM CCN(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000356606034 166462849 /nfs/dbraw/zinc/46/28/49/166462849.db2.gz HGAJJSRFMOXVPK-LBPRGKRZSA-N -1 0 339.351 3.395 20 30 EGEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1cccc(Oc2ccncc2)c1 ZINC000359728571 167216223 /nfs/dbraw/zinc/21/62/23/167216223.db2.gz XZAFZQWLFYOGEI-UHFFFAOYSA-N -1 0 345.362 3.020 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(Cl)c2)o1 ZINC000361129505 167531300 /nfs/dbraw/zinc/53/13/00/167531300.db2.gz DUMKUSHAKOGDSO-UHFFFAOYSA-N -1 0 348.714 3.207 20 30 EGEDRM N#Cc1nc(NC(=O)c2cc(Cl)cc(C(F)(F)F)c2)[n-]c1C#N ZINC000155427321 264815066 /nfs/dbraw/zinc/81/50/66/264815066.db2.gz HBHCTUDSFOCGQK-UHFFFAOYSA-N -1 0 339.664 3.078 20 30 EGEDRM CC(=Cc1csc(Br)c1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000435340634 270051228 /nfs/dbraw/zinc/05/12/28/270051228.db2.gz LCJUABUAFGSYQG-CLTKARDFSA-N -1 0 336.214 3.335 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cc2)cn1 ZINC000195438297 266183955 /nfs/dbraw/zinc/18/39/55/266183955.db2.gz KTIPLLZTQSVIEX-UHFFFAOYSA-N -1 0 335.388 3.421 20 30 EGEDRM COc1ccsc1S(=O)(=O)[N-]c1cc(Cl)ccc1C#N ZINC000180732476 266906366 /nfs/dbraw/zinc/90/63/66/266906366.db2.gz KMJBZVHEHDLXIX-UHFFFAOYSA-N -1 0 328.802 3.083 20 30 EGEDRM Cc1cc(Cl)cc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c1O ZINC000427248848 268002591 /nfs/dbraw/zinc/00/25/91/268002591.db2.gz HVUVXHPUFKJEGM-UHFFFAOYSA-N -1 0 340.763 3.166 20 30 EGEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)o2)ccc1-c1ccncc1 ZINC000427653132 268012026 /nfs/dbraw/zinc/01/20/26/268012026.db2.gz HEOHXLMCBSBZBE-UHFFFAOYSA-N -1 0 339.376 3.323 20 30 EGEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cc(-c2ccccc2)[nH]n1 ZINC000434965229 268030744 /nfs/dbraw/zinc/03/07/44/268030744.db2.gz SNSRVLWNUKUUSS-UHFFFAOYSA-N -1 0 338.392 3.058 20 30 EGEDRM N#Cc1ccc(C[C@H](C#N)C(=O)Nc2cccc(Cl)c2[O-])cc1 ZINC000350671898 268093265 /nfs/dbraw/zinc/09/32/65/268093265.db2.gz ZIEBFCNKILYOBQ-CYBMUJFWSA-N -1 0 325.755 3.238 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2O)s1 ZINC000435499522 268259726 /nfs/dbraw/zinc/25/97/26/268259726.db2.gz BGENOXYBXMPMBR-UHFFFAOYSA-N -1 0 349.220 3.433 20 30 EGEDRM N#Cc1cccc(C#N)c1Sc1n[n-]c(=NCc2ccccc2)s1 ZINC000436268420 268271618 /nfs/dbraw/zinc/27/16/18/268271618.db2.gz UBPCBNCVSVFHGD-UHFFFAOYSA-N -1 0 349.444 3.467 20 30 EGEDRM C[C@@H]1C[C@@H](C(=O)[O-])CN(c2c(C#N)cnc3c(F)ccc(Cl)c32)C1 ZINC000263292557 297216419 /nfs/dbraw/zinc/21/64/19/297216419.db2.gz ZAORSEDVOQNXCB-NXEZZACHSA-N -1 0 347.777 3.446 20 30 EGEDRM CCOCc1cccc([N-]S(=O)(=O)c2cccc(C)c2C#N)c1 ZINC000137405192 307717650 /nfs/dbraw/zinc/71/76/50/307717650.db2.gz COBHRHGNXZVGJQ-UHFFFAOYSA-N -1 0 330.409 3.204 20 30 EGEDRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(C)c2C#N)c1 ZINC000181149359 323470930 /nfs/dbraw/zinc/47/09/30/323470930.db2.gz XMPHBNXOLLRIGF-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM N#Cc1nc(N2CCC[C@H]2c2nc(C(=O)[O-])cs2)ccc1Cl ZINC000600676062 460565424 /nfs/dbraw/zinc/56/54/24/460565424.db2.gz SCAFTRUTNHOYKT-NSHDSACASA-N -1 0 334.788 3.103 20 30 EGEDRM Cc1nc(N2CCC(Cc3ccccc3C(=O)[O-])CC2)ccc1C#N ZINC000600676505 460566677 /nfs/dbraw/zinc/56/66/77/460566677.db2.gz YTMLZFKVYGMMFT-UHFFFAOYSA-N -1 0 335.407 3.419 20 30 EGEDRM CCCC(C#N)(CCC)NS(=O)(=O)Cc1ccc(C)c(F)c1 ZINC000184209130 455362170 /nfs/dbraw/zinc/36/21/70/455362170.db2.gz DXJHUOPWVYMLRW-UHFFFAOYSA-N -1 0 326.437 3.416 20 30 EGEDRM N#Cc1nc(NC(=O)c2ccc(Oc3ccccc3)cc2)[n-]c1C#N ZINC000026273809 453795401 /nfs/dbraw/zinc/79/54/01/453795401.db2.gz DIPLBUPUPLDYMS-UHFFFAOYSA-N -1 0 329.319 3.198 20 30 EGEDRM C=C(C)COc1cccc([N-]S(=O)(=O)c2c[nH]c3ncccc23)c1 ZINC000066587659 453853568 /nfs/dbraw/zinc/85/35/68/453853568.db2.gz HRTTXGVLXZDHGH-UHFFFAOYSA-N -1 0 343.408 3.319 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])C=Cc2ccccc2)n1 ZINC000067895684 453977993 /nfs/dbraw/zinc/97/79/93/453977993.db2.gz PFVDWFYEAGGMIO-XEHSLEBBSA-N -1 0 326.377 3.209 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccccc2OCC)n1 ZINC000067898240 453978988 /nfs/dbraw/zinc/97/89/88/453978988.db2.gz QOCWPTXKAIEUPV-GFCCVEGCSA-N -1 0 344.392 3.209 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)N2CCC[C@@H]2c2ccsc2)cc1C#N ZINC000076382770 453994987 /nfs/dbraw/zinc/99/49/87/453994987.db2.gz HQESAHCSYUHZNZ-CYBMUJFWSA-N -1 0 345.449 3.420 20 30 EGEDRM O=C([N-]S(=O)(=O)c1ccc2c(c1)OCCCO2)C1CCCCC1 ZINC000042338904 454007287 /nfs/dbraw/zinc/00/72/87/454007287.db2.gz YTOFZQJPAQYHBM-UHFFFAOYSA-N -1 0 339.413 3.073 20 30 EGEDRM CC(C)CC(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000058282379 454179313 /nfs/dbraw/zinc/17/93/13/454179313.db2.gz ONVXZLZYTSILMZ-UHFFFAOYSA-N -1 0 334.319 3.268 20 30 EGEDRM C=CCCC(=O)N[C@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000095969853 454243808 /nfs/dbraw/zinc/24/38/08/454243808.db2.gz WWWHDTHSIMFXMW-GFCCVEGCSA-N -1 0 326.190 3.047 20 30 EGEDRM CC(=O)Nc1nc(C([O-])=C(C#N)c2ccc3ccccc3n2)cs1 ZINC000047376918 454365372 /nfs/dbraw/zinc/36/53/72/454365372.db2.gz RBJCSDMAWVVMDP-GFCCVEGCSA-N -1 0 336.376 3.140 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)N(C)[C@@H](C)c2ccccc2)cc1C#N ZINC000073896072 454499224 /nfs/dbraw/zinc/49/92/24/454499224.db2.gz GBRBSNHYXDJPRI-NSHDSACASA-N -1 0 327.409 3.214 20 30 EGEDRM N#CC(=C([O-])c1cnn2c1nccc2-c1ccccc1)c1ccccn1 ZINC000049458312 454549886 /nfs/dbraw/zinc/54/98/86/454549886.db2.gz GNHROELHJQZIGW-HNNXBMFYSA-N -1 0 339.358 3.281 20 30 EGEDRM O=C([N-]c1nnc(Cc2ccccc2)s1)c1ccc([N+](=O)[O-])o1 ZINC000049984434 454566617 /nfs/dbraw/zinc/56/66/17/454566617.db2.gz XNBRMRQIDCDCJO-UHFFFAOYSA-N -1 0 330.325 3.266 20 30 EGEDRM CC(C)CCn1cc(C([O-])=C(C#N)c2nc(C(C)C)cs2)nn1 ZINC000080460385 454584652 /nfs/dbraw/zinc/58/46/52/454584652.db2.gz CXDVANKVILPKTR-LBPRGKRZSA-N -1 0 331.445 3.394 20 30 EGEDRM Cc1ccc(C)c2sc([N-]S(=O)(=O)c3cccc(C#N)c3)nc21 ZINC000066249828 454671231 /nfs/dbraw/zinc/67/12/31/454671231.db2.gz OMYOJCWNVSKNCW-UHFFFAOYSA-N -1 0 343.433 3.008 20 30 EGEDRM CCCCOc1ccccc1C=CC([O-])=C1C(=O)C=C(C)OC1=O ZINC000163335805 454840698 /nfs/dbraw/zinc/84/06/98/454840698.db2.gz RROXSTYXUZJNIB-BBVFFXRHSA-N -1 0 328.364 3.094 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)nc1 ZINC000110121873 454841665 /nfs/dbraw/zinc/84/16/65/454841665.db2.gz CPYFHYGRSSKCJD-UHFFFAOYSA-N -1 0 335.388 3.421 20 30 EGEDRM CC(C)c1csc(C(C#N)=C([O-])c2ccc(S(C)(=O)=O)cc2)n1 ZINC000177747545 454899227 /nfs/dbraw/zinc/89/92/27/454899227.db2.gz RVWCLVXYTNMFHO-ZDUSSCGKSA-N -1 0 348.449 3.160 20 30 EGEDRM CCCN(CC1CCCCC1)C(=O)c1cc(C#N)c(SC)[n-]c1=O ZINC000154593904 454910593 /nfs/dbraw/zinc/91/05/93/454910593.db2.gz BAQJPGGPBADLEW-UHFFFAOYSA-N -1 0 347.484 3.401 20 30 EGEDRM Cc1c2nc([N-]S(=O)(=O)c3ccc(C#N)cc3)sc2ccc1F ZINC000150978004 454921094 /nfs/dbraw/zinc/92/10/94/454921094.db2.gz PGAWJNLWYREEAJ-UHFFFAOYSA-N -1 0 347.396 3.416 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2O)c(Cl)c1 ZINC000169256230 454929716 /nfs/dbraw/zinc/92/97/16/454929716.db2.gz NTFDODHELIKSTG-UHFFFAOYSA-N -1 0 343.191 3.371 20 30 EGEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000180115731 455134704 /nfs/dbraw/zinc/13/47/04/455134704.db2.gz LHYOUZWZPGXETH-CVEARBPZSA-N -1 0 331.412 3.101 20 30 EGEDRM Cc1noc(-c2ccccc2)c1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000183346562 455281161 /nfs/dbraw/zinc/28/11/61/455281161.db2.gz CYDVCSDEASFXAS-UHFFFAOYSA-N -1 0 339.376 3.323 20 30 EGEDRM CCC(=O)Nc1cccc(C([O-])=C(C#N)c2cnc3ccccc3n2)c1 ZINC000190892616 455399555 /nfs/dbraw/zinc/39/95/55/455399555.db2.gz UNKMBJHTUVNLMH-OAHLLOKOSA-N -1 0 344.374 3.468 20 30 EGEDRM CC(C)Oc1cccc(C([O-])=C(C#N)c2cnc3ccccc3n2)n1 ZINC000190947206 455412380 /nfs/dbraw/zinc/41/23/80/455412380.db2.gz SGPPPUKSLNZKKU-CYBMUJFWSA-N -1 0 332.363 3.302 20 30 EGEDRM COc1cc(C([O-])=C(C#N)c2nc(C)cs2)cc([N+](=O)[O-])c1C ZINC000192187904 455570345 /nfs/dbraw/zinc/57/03/45/455570345.db2.gz MUXJXLQTVMIXTK-LLVKDONJSA-N -1 0 331.353 3.167 20 30 EGEDRM COC(=O)Nc1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)cc1 ZINC000193276025 455749893 /nfs/dbraw/zinc/74/98/93/455749893.db2.gz UXCLNOMLBHFFBU-CYBMUJFWSA-N -1 0 335.319 3.496 20 30 EGEDRM C=CCC(CC=C)C(=O)NC[C@@H](Cc1ccc(OCC)cc1)C(=O)[O-] ZINC000271901708 455798003 /nfs/dbraw/zinc/79/80/03/455798003.db2.gz KWAFFCZYMNHECS-QGZVFWFLSA-N -1 0 345.439 3.213 20 30 EGEDRM CCn1nccc1/C=C/C(=O)c1ccc(OCCCC(=O)[O-])cc1 ZINC000269945531 455854780 /nfs/dbraw/zinc/85/47/80/455854780.db2.gz FSPVUVHWGZPKGN-JXMROGBWSA-N -1 0 328.368 3.043 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)nc1 ZINC000194570809 455860169 /nfs/dbraw/zinc/86/01/69/455860169.db2.gz XIEGAIPLUBNFIB-UHFFFAOYSA-N -1 0 342.207 3.202 20 30 EGEDRM Cc1c(N=Cc2cc([N+](=O)[O-])ccc2[O-])cccc1N1CCOC1=O ZINC000255334865 455865554 /nfs/dbraw/zinc/86/55/54/455865554.db2.gz GESGONKBVWRWFS-UHFFFAOYSA-N -1 0 341.323 3.316 20 30 EGEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(F)c1F ZINC000195445928 455963192 /nfs/dbraw/zinc/96/31/92/455963192.db2.gz UZLUVASBPRRJMC-UHFFFAOYSA-N -1 0 338.335 3.036 20 30 EGEDRM N#CCc1ccc(C(=O)N(CCCC(=O)[O-])Cc2ccccc2)cc1 ZINC000262120281 456001120 /nfs/dbraw/zinc/00/11/20/456001120.db2.gz GNVQINLAYMAGHG-UHFFFAOYSA-N -1 0 336.391 3.260 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2cc3c(cc2Cl)OCCCO3)cc1[O-] ZINC000188239604 456028200 /nfs/dbraw/zinc/02/82/00/456028200.db2.gz ZGUFALQOPICIMO-UHFFFAOYSA-N -1 0 344.754 3.331 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1[O-] ZINC000188243206 456029507 /nfs/dbraw/zinc/02/95/07/456029507.db2.gz GKWNSGFMPVRICS-UHFFFAOYSA-N -1 0 347.330 3.361 20 30 EGEDRM C=CCC[C@@H](NC(=O)c1cc(Cl)ccc1OC(F)F)C(=O)[O-] ZINC000262885991 456065916 /nfs/dbraw/zinc/06/59/16/456065916.db2.gz LAHYYJIVXINNHK-SNVBAGLBSA-N -1 0 333.718 3.091 20 30 EGEDRM COC[C@H](/N=C/c1c(O)c(C)ncc1CO)c1cccc(Cl)c1 ZINC000289894359 456171488 /nfs/dbraw/zinc/17/14/88/456171488.db2.gz JUCFXFFZYUVLJJ-MTRWVZMLSA-N -1 0 334.803 3.048 20 30 EGEDRM CCO[C@H](C)C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000236914679 456200468 /nfs/dbraw/zinc/20/04/68/456200468.db2.gz ZKRJXMRMLLNKQQ-CQSZACIVSA-N -1 0 337.375 3.148 20 30 EGEDRM C=CCOc1ccc(CNC(=O)N=c2[n-]nc(CC(C)C)s2)cc1 ZINC000348053713 456448257 /nfs/dbraw/zinc/44/82/57/456448257.db2.gz HZSFYRODNNWVRX-UHFFFAOYSA-N -1 0 346.456 3.045 20 30 EGEDRM C=CCCCS(=O)(=O)[N-]c1nc2c(s1)C(=O)CC(C)(C)C2 ZINC000291878696 456785099 /nfs/dbraw/zinc/78/50/99/456785099.db2.gz MSVAANKZUMKZRV-UHFFFAOYSA-N -1 0 328.459 3.006 20 30 EGEDRM CCc1oc(C([O-])=C(C#N)c2cnc3ccccc3n2)cc1C(=O)OC ZINC000338688596 456852949 /nfs/dbraw/zinc/85/29/49/456852949.db2.gz PBYKLADWZUBQJM-GFCCVEGCSA-N -1 0 349.346 3.062 20 30 EGEDRM N#C[C@@H](NC(=O)c1cc(F)c(F)c([O-])c1F)c1ccc(Cl)cc1 ZINC000348869721 456884843 /nfs/dbraw/zinc/88/48/43/456884843.db2.gz OKTKKNKMDKIMKG-LLVKDONJSA-N -1 0 340.688 3.458 20 30 EGEDRM C=CCOc1ccc(C(=O)Nc2cccc(CC(=O)[O-])c2)cc1OC ZINC000345749091 456991171 /nfs/dbraw/zinc/99/11/71/456991171.db2.gz NZVLUVAHNXPGIH-UHFFFAOYSA-N -1 0 341.363 3.139 20 30 EGEDRM CC(C)(C)c1nc(=NC(=O)NCc2nc(C3CC3)cs2)s[n-]1 ZINC000330160045 456993797 /nfs/dbraw/zinc/99/37/97/456993797.db2.gz ROJKOOMBWIVLJR-UHFFFAOYSA-N -1 0 337.474 3.118 20 30 EGEDRM C=C(C)CN(Cc1ccccc1)C(=O)N=c1nc([C@@H](C)OC)[n-]s1 ZINC000350706876 457197743 /nfs/dbraw/zinc/19/77/43/457197743.db2.gz GXYRDTGFXFEBCU-CYBMUJFWSA-N -1 0 346.456 3.278 20 30 EGEDRM CCCSc1ccc([N+](=O)[O-])cc1C([O-])=C(C#N)c1ccncn1 ZINC000354464705 457240207 /nfs/dbraw/zinc/24/02/07/457240207.db2.gz KJZBPFYTYYNTET-ZDUSSCGKSA-N -1 0 342.380 3.377 20 30 EGEDRM CSCC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000351531178 457303599 /nfs/dbraw/zinc/30/35/99/457303599.db2.gz VKTGGYBBENUWNT-UHFFFAOYSA-N -1 0 325.389 3.086 20 30 EGEDRM N#CC(=C([O-])c1cccc(-c2nc[nH]n2)c1)c1nc2ccccc2o1 ZINC000342459973 457315320 /nfs/dbraw/zinc/31/53/20/457315320.db2.gz CFRPHZZICSTBDD-ZDUSSCGKSA-N -1 0 329.319 3.103 20 30 EGEDRM CC[C@@H](C)Oc1cc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)ccn1 ZINC000347292640 457335114 /nfs/dbraw/zinc/33/51/14/457335114.db2.gz CFCXUEWWRWMNPU-OCCSQVGLSA-N -1 0 349.394 3.329 20 30 EGEDRM CCSCc1cccc([N-]S(=O)(=O)c2cncc(C#N)c2)c1 ZINC000357166298 457355849 /nfs/dbraw/zinc/35/58/49/457355849.db2.gz FKJJJSDAMKHFEZ-UHFFFAOYSA-N -1 0 333.438 3.007 20 30 EGEDRM N#CC[C@H](CC(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1)c1ccccc1 ZINC000355549912 457386515 /nfs/dbraw/zinc/38/65/15/457386515.db2.gz WIZDFFIEPWXMOC-OAHLLOKOSA-N -1 0 348.362 3.056 20 30 EGEDRM Cn1cc(C([O-])=C(C#N)c2ccncn2)c(-c2ccc(Cl)s2)n1 ZINC000355541660 457386582 /nfs/dbraw/zinc/38/65/82/457386582.db2.gz CTEWCONXBLDQPP-SECBINFHSA-N -1 0 343.799 3.082 20 30 EGEDRM N#C[C@H]1CC[C@@H](NC(=O)c2cc(Cl)cc(Br)c2[O-])C1 ZINC000425322592 457496801 /nfs/dbraw/zinc/49/68/01/457496801.db2.gz JTRILBVPVISMEK-IONNQARKSA-N -1 0 343.608 3.230 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccccn3)cc2)o1 ZINC000357536527 457584739 /nfs/dbraw/zinc/58/47/39/457584739.db2.gz QTUQMIHSHJXYAL-UHFFFAOYSA-N -1 0 325.349 3.014 20 30 EGEDRM COC(=O)c1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)c(F)c1 ZINC000361530306 457772655 /nfs/dbraw/zinc/77/26/55/457772655.db2.gz IZRBVIWWXNNLKK-ZDUSSCGKSA-N -1 0 349.321 3.046 20 30 EGEDRM CC(=O)c1cc(C([O-])=C(C#N)c2cnc3ccccc3n2)c(C)nc1C ZINC000361539148 457780884 /nfs/dbraw/zinc/78/08/84/457780884.db2.gz FFZRLRDIANVWPM-MRXNPFEDSA-N -1 0 344.374 3.334 20 30 EGEDRM N#CC(=C([O-])c1cnn2ccccc12)c1cc(C(F)(F)F)ccn1 ZINC000362176417 458038681 /nfs/dbraw/zinc/03/86/81/458038681.db2.gz BYVXOPJYYPUMCJ-LLVKDONJSA-N -1 0 330.269 3.238 20 30 EGEDRM COCc1ncc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)s1 ZINC000362171638 458039597 /nfs/dbraw/zinc/03/95/97/458039597.db2.gz LUECVUBOWCIGAK-VIFPVBQESA-N -1 0 341.314 3.193 20 30 EGEDRM N#CC(=C([O-])c1cnc(Cc2ccccc2F)s1)c1ccncn1 ZINC000358543452 458065853 /nfs/dbraw/zinc/06/58/53/458065853.db2.gz IZBIJGWFAAZXHF-GFCCVEGCSA-N -1 0 338.367 3.153 20 30 EGEDRM N#CCc1cccc(C(=O)Nc2cccc(CSCC(=O)[O-])c2)c1 ZINC000362558894 458268703 /nfs/dbraw/zinc/26/87/03/458268703.db2.gz JIVDSXYYQVKXTR-UHFFFAOYSA-N -1 0 340.404 3.323 20 30 EGEDRM C=CCc1cc(CNC(=O)c2ccc(F)cc2[O-])cc(OC)c1OC ZINC000436547797 458328687 /nfs/dbraw/zinc/32/86/87/458328687.db2.gz YJWXAEAEDVTSDH-UHFFFAOYSA-N -1 0 345.370 3.207 20 30 EGEDRM C[C@H](CN(C)c1c(Br)cc(Cl)cc1C#N)C(=O)[O-] ZINC000416436309 458347377 /nfs/dbraw/zinc/34/73/77/458347377.db2.gz CHWHSBRVFPDBOR-SSDOTTSWSA-N -1 0 331.597 3.131 20 30 EGEDRM CC(C)(C)n1cc(C#N)c([N-]S(=O)(=O)c2sccc2Cl)n1 ZINC000450968916 458461568 /nfs/dbraw/zinc/46/15/68/458461568.db2.gz AAJXQRRAQFMPCE-UHFFFAOYSA-N -1 0 344.849 3.025 20 30 EGEDRM C=CCN(CCC#N)C(=O)N=c1[n-]nc(-c2cc(C)cc(C)c2)s1 ZINC000455157853 458586559 /nfs/dbraw/zinc/58/65/59/458586559.db2.gz OUYMUBLDGAPIRZ-UHFFFAOYSA-N -1 0 341.440 3.177 20 30 EGEDRM CC(C)(CCNc1c(C#N)cnc2ccc(OC(F)F)cc21)C(=O)[O-] ZINC000424380678 458629604 /nfs/dbraw/zinc/62/96/04/458629604.db2.gz XIYWJWRFZIWBLC-UHFFFAOYSA-N -1 0 349.337 3.043 20 30 EGEDRM C=CCC1(CNC(=O)c2cc(=O)n(-c3ccc(C)cc3)[n-]2)CCCC1 ZINC000456487650 458692625 /nfs/dbraw/zinc/69/26/25/458692625.db2.gz PZEOCHOBUAOKOJ-UHFFFAOYSA-N -1 0 339.439 3.340 20 30 EGEDRM C=CC[C@@H](CC)NC(=O)N=c1[n-]nc(Cc2cccc(F)c2)s1 ZINC000439501110 458719033 /nfs/dbraw/zinc/71/90/33/458719033.db2.gz SCPXPSDCYDBLCI-CYBMUJFWSA-N -1 0 334.420 3.166 20 30 EGEDRM C=C(C)COc1cccc([N-]S(=O)(=O)c2cccc3c2OCO3)c1 ZINC000509074553 458770388 /nfs/dbraw/zinc/77/03/88/458770388.db2.gz KGVFMZPZJAOYQX-UHFFFAOYSA-N -1 0 347.392 3.171 20 30 EGEDRM Cc1cc(C#N)cnc1C([O-])=C(C#N)c1nc(-c2ccncc2)cs1 ZINC000551802078 458889595 /nfs/dbraw/zinc/88/95/95/458889595.db2.gz QKYSIANLTSDWIQ-CQSZACIVSA-N -1 0 345.387 3.270 20 30 EGEDRM C=CCOc1cccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2C)c1 ZINC000466345699 458894872 /nfs/dbraw/zinc/89/48/72/458894872.db2.gz GFLDZHQKSXJFQH-UHFFFAOYSA-N -1 0 347.392 3.059 20 30 EGEDRM Cc1ccc(-c2ccc(C(=O)N3CCC[C@H]3C(=O)[O-])cc2)c(C#N)c1 ZINC000577125153 458984954 /nfs/dbraw/zinc/98/49/54/458984954.db2.gz MTZBMHRDTBWVPN-SFHVURJKSA-N -1 0 334.375 3.223 20 30 EGEDRM CCc1cc(C#N)c([N-]S(=O)(=O)Cc2c(F)cccc2F)s1 ZINC000577155597 458988584 /nfs/dbraw/zinc/98/85/84/458988584.db2.gz CBKYKBNOOASKDW-UHFFFAOYSA-N -1 0 342.392 3.402 20 30 EGEDRM N#CCc1cccc(S(=O)(=O)[N-]c2noc3ccc(Cl)cc32)c1 ZINC000589978418 459060779 /nfs/dbraw/zinc/06/07/79/459060779.db2.gz ZRQNFFAIIOAAPU-UHFFFAOYSA-N -1 0 347.783 3.348 20 30 EGEDRM Cn1cc(C([O-])=C(C#N)c2cnc3ccccc3n2)c(C2CCC2)n1 ZINC000557318914 459063869 /nfs/dbraw/zinc/06/38/69/459063869.db2.gz BLHGSKTWGFTFDN-CYBMUJFWSA-N -1 0 331.379 3.121 20 30 EGEDRM C=CCOc1ccc(C(=O)N(CCC(=O)[O-])Cc2ccccc2)cc1 ZINC000590411195 459127917 /nfs/dbraw/zinc/12/79/17/459127917.db2.gz YWACLLGAYBNEKU-UHFFFAOYSA-N -1 0 339.391 3.369 20 30 EGEDRM Cn1cc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)c(C(F)F)n1 ZINC000521382091 459145541 /nfs/dbraw/zinc/14/55/41/459145541.db2.gz ASMNCKLHNKSOPR-MRVPVSSYSA-N -1 0 344.243 3.262 20 30 EGEDRM COc1ccccc1N=c1[n-]nc(SCC2(CC#N)CC2)s1 ZINC000594880801 459165399 /nfs/dbraw/zinc/16/53/99/459165399.db2.gz IWSNABDXRAODMR-UHFFFAOYSA-N -1 0 332.454 3.498 20 30 EGEDRM N#CCC1(CSc2n[n-]c(=NCCc3cccs3)s2)CC1 ZINC000594884208 459166230 /nfs/dbraw/zinc/16/62/30/459166230.db2.gz ZPUNVEVYZLFENG-UHFFFAOYSA-N -1 0 336.511 3.462 20 30 EGEDRM COC(=O)Nc1cccc(CN=Cc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000496532439 459230525 /nfs/dbraw/zinc/23/05/25/459230525.db2.gz ZZZZIQBLRFXBCE-YVLHZVERSA-N -1 0 329.312 3.098 20 30 EGEDRM C=CCC[C@H](NC(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000580712458 459263916 /nfs/dbraw/zinc/26/39/16/459263916.db2.gz GSIOJBYABSINNM-UAGQMJEPSA-N -1 0 330.428 3.446 20 30 EGEDRM C=CCC[C@H](NC(=O)NCCCSc1ccc(F)cc1)C(=O)[O-] ZINC000583008782 459465821 /nfs/dbraw/zinc/46/58/21/459465821.db2.gz BFQUJBHSWUSUDD-AWEZNQCLSA-N -1 0 340.420 3.027 20 30 EGEDRM C=CCOc1ccc(C(=O)NC[C@H](C(=O)[O-])c2ccc(C)cc2)cc1 ZINC000486373453 459500172 /nfs/dbraw/zinc/50/01/72/459500172.db2.gz MZYAXMSRORZUDH-SFHVURJKSA-N -1 0 339.391 3.158 20 30 EGEDRM C=C[C@H]1CCCCN1C(=O)N=c1[n-]nc(Cc2ccc(F)cc2)s1 ZINC000562330384 459540438 /nfs/dbraw/zinc/54/04/38/459540438.db2.gz JLNDWMMACJFIKD-AWEZNQCLSA-N -1 0 346.431 3.262 20 30 EGEDRM C=C[C@H]1CCCCN1C(=O)N=c1[n-]nc(Cc2ccc(C)cc2)s1 ZINC000488328513 459542500 /nfs/dbraw/zinc/54/25/00/459542500.db2.gz NKKRCDOKXNYVNT-HNNXBMFYSA-N -1 0 342.468 3.432 20 30 EGEDRM C=C(C)COc1cccc(NC(=O)N2CCC[C@@H](CC(=O)[O-])C2)c1 ZINC000570550004 459557699 /nfs/dbraw/zinc/55/76/99/459557699.db2.gz NWBUGCDFFZKRHT-AWEZNQCLSA-N -1 0 332.400 3.360 20 30 EGEDRM C=CCC[C@H](NC(=O)Nc1ccc(OCC(F)(F)F)cc1)C(=O)[O-] ZINC000562973965 459683799 /nfs/dbraw/zinc/68/37/99/459683799.db2.gz FDCXDNFBROPAKK-LBPRGKRZSA-N -1 0 346.305 3.169 20 30 EGEDRM CC(C)Cn1nccc1C(=O)[C@H](C#N)c1ccc(C(F)(F)F)cn1 ZINC000563119314 459717996 /nfs/dbraw/zinc/71/79/96/459717996.db2.gz QDAYXWMWQVLGBF-GFCCVEGCSA-N -1 0 336.317 3.443 20 30 EGEDRM N#CC(=C([O-])c1cc(C(N)=O)cs1)c1nc2cc(F)ccc2s1 ZINC000592973756 459726269 /nfs/dbraw/zinc/72/62/69/459726269.db2.gz KCGWFOLTERUHOJ-VIFPVBQESA-N -1 0 345.380 3.086 20 30 EGEDRM C[C@@H]1CCn2ncc(C([O-])=C(C#N)c3ccc(C(F)(F)F)cn3)c2C1 ZINC000574039532 459771643 /nfs/dbraw/zinc/77/16/43/459771643.db2.gz RIVFGQMCRRXWOE-ZYHUDNBSSA-N -1 0 348.328 3.369 20 30 EGEDRM N#CC1(CC(=O)N=c2nc(-c3ccccc3)[n-]s2)CCCCC1 ZINC000596894275 459788816 /nfs/dbraw/zinc/78/88/16/459788816.db2.gz KDAQUSXZNCZMQV-UHFFFAOYSA-N -1 0 326.425 3.430 20 30 EGEDRM C[C@@H](c1ccccc1)n1ccc([N-]S(=O)(=O)CCC(C)(C)C#N)n1 ZINC000593205462 459807515 /nfs/dbraw/zinc/80/75/15/459807515.db2.gz WLHZSHKWHAXLDT-AWEZNQCLSA-N -1 0 346.456 3.174 20 30 EGEDRM CC(C)c1nc(=NC2CC[NH+](Cc3cccc(C#N)c3)CC2)s[n-]1 ZINC000593514484 459912309 /nfs/dbraw/zinc/91/23/09/459912309.db2.gz COSHTYBGKVBKNP-UHFFFAOYSA-N -1 0 341.484 3.032 20 30 EGEDRM CCc1cccc(CC)c1S(=O)(=O)[N-]c1cc(CC#N)ccn1 ZINC000610783286 460236294 /nfs/dbraw/zinc/23/62/94/460236294.db2.gz PKYRUCROZBODHZ-UHFFFAOYSA-N -1 0 329.425 3.073 20 30 EGEDRM Cn1cc(C#N)c(=NC(=O)N2CCC[C@H]2CCC2CCCCC2)[n-]1 ZINC000610876710 460254274 /nfs/dbraw/zinc/25/42/74/460254274.db2.gz TVCYVOXWVYGPRJ-INIZCTEOSA-N -1 0 329.448 3.070 20 30 EGEDRM COc1cc(Cl)ccc1S(=O)(=O)[N-]c1cccc(C#N)c1C ZINC000610897161 460257899 /nfs/dbraw/zinc/25/78/99/460257899.db2.gz CYBOAEHWKFISCX-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM COc1ccc2c(c1[N-]S(=O)(=O)c1cccc(CC#N)c1)CCC2 ZINC000619463899 460363227 /nfs/dbraw/zinc/36/32/27/460363227.db2.gz UTSXEEBPRYCRLR-UHFFFAOYSA-N -1 0 342.420 3.051 20 30 EGEDRM CC(C)(C)n1cc(C#N)c(=NC(=O)[C@@H]2CCc3c2cccc3Cl)[n-]1 ZINC000611440641 460366320 /nfs/dbraw/zinc/36/63/20/460366320.db2.gz VPCDRPOZSSWDAU-CQSZACIVSA-N -1 0 342.830 3.254 20 30 EGEDRM CCn1cc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)c(C)n1 ZINC000626300322 460470068 /nfs/dbraw/zinc/47/00/68/460470068.db2.gz YNQILENMQGDDEG-LLVKDONJSA-N -1 0 343.337 3.446 20 30 EGEDRM C=CCNC(=O)c1ccc(NC(=O)[C@@](C)(CC(=O)[O-])CC(C)C)cc1 ZINC000634818609 460537415 /nfs/dbraw/zinc/53/74/15/460537415.db2.gz RAWWSRPIZATXMZ-LJQANCHMSA-N -1 0 346.427 3.068 20 30 EGEDRM C=CCN(CC1CCCCC1)C(=O)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000601826238 460913443 /nfs/dbraw/zinc/91/34/43/460913443.db2.gz RHYWVUBIMZZHEI-UHFFFAOYSA-N -1 0 341.411 3.238 20 30 EGEDRM C=C(C)C[C@H](NC(=O)[C@H](C)Oc1cccc2ccccc21)C(=O)[O-] ZINC000630320186 461094786 /nfs/dbraw/zinc/09/47/86/461094786.db2.gz QJYMXGHHQJEIDK-BBRMVZONSA-N -1 0 327.380 3.143 20 30 EGEDRM CCn1c2ccc(C([O-])=C(C#N)c3nc(C)cs3)cc2[nH]c1=O ZINC000659010699 461135993 /nfs/dbraw/zinc/13/59/93/461135993.db2.gz XALWJKXBTURCTH-NSHDSACASA-N -1 0 326.381 3.017 20 30 EGEDRM C=CCc1cc(CN[C@@H](C)c2nc(C(=O)[O-])cs2)cc(OC)c1O ZINC000630463552 461137127 /nfs/dbraw/zinc/13/71/27/461137127.db2.gz CGGXPLTZZYJFKH-JTQLQIEISA-N -1 0 348.424 3.135 20 30 EGEDRM CC(C)CCn1cc(C([O-])=C(C#N)c2nc(C3CC3)cs2)nn1 ZINC000647378110 461668700 /nfs/dbraw/zinc/66/87/00/461668700.db2.gz VQDVPCMHUPBCQO-GFCCVEGCSA-N -1 0 329.429 3.148 20 30 EGEDRM C=CCCNC(=O)N[C@@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000656588717 461798832 /nfs/dbraw/zinc/79/88/32/461798832.db2.gz RDJUGVQBWJEVAY-CQSZACIVSA-N -1 0 331.199 3.169 20 30 EGEDRM C=CCC[C@@H](NC(=O)NCCc1c[nH]c2cc(Cl)ccc12)C(=O)[O-] ZINC000654800588 462386151 /nfs/dbraw/zinc/38/61/51/462386151.db2.gz XJNLYXDEDCMHGO-CQSZACIVSA-N -1 0 349.818 3.082 20 30 EGEDRM Cc1nn2cccnc2c1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1 ZINC000684676001 550354362 /nfs/dbraw/zinc/35/43/62/550354362.db2.gz RNRKKBASUTUJRG-NSHDSACASA-N -1 0 339.424 3.282 20 30 EGEDRM C=CCN1c2ccccc2C(=N[N-]c2nc(-c3ccccc3)no2)C1=O ZINC000726739063 574569247 /nfs/dbraw/zinc/56/92/47/574569247.db2.gz BUXIJHYVVQNWEV-UHFFFAOYSA-N -1 0 345.362 3.085 20 30 EGEDRM CCOc1ccc(C=Nc2ccc3c(c2)NC(=O)[C@H](C)O3)c(O)c1 ZINC000730549714 575000051 /nfs/dbraw/zinc/00/00/51/575000051.db2.gz IVJBMPYPDHSWOI-NSHDSACASA-N -1 0 326.352 3.261 20 30 EGEDRM O=C([O-])c1ccoc1COc1ccc(C=NNC2CCCC2)cc1 ZINC000730946873 575038644 /nfs/dbraw/zinc/03/86/44/575038644.db2.gz RTYQKIPHPOMHGX-UHFFFAOYSA-N -1 0 328.368 3.423 20 30 EGEDRM C#CCOc1cccc(NC(=O)c2cccc(Br)c2[O-])c1 ZINC000731052830 575049576 /nfs/dbraw/zinc/04/95/76/575049576.db2.gz UDOUYPAPRXAFOF-UHFFFAOYSA-N -1 0 346.180 3.419 20 30 EGEDRM COc1ccc(OC)c(C(=O)/C=C/c2cccc(OCC(=O)[O-])c2)c1 ZINC000733204851 575319783 /nfs/dbraw/zinc/31/97/83/575319783.db2.gz BUOXSWJWGSJUCZ-SOFGYWHQSA-N -1 0 342.347 3.063 20 30 EGEDRM Cc1cc(C)c2c(c1)C(=O)/C(=C\c1cccc(OCC(=O)[O-])c1)CO2 ZINC000733207394 575320645 /nfs/dbraw/zinc/32/06/45/575320645.db2.gz XUXBVNMTFWMHSU-NVNXTCNLSA-N -1 0 338.359 3.426 20 30 EGEDRM C=CCN(Cc1cccs1)C(=O)[C@@H](C)S[C@@H](C)CC(=O)[O-] ZINC000736108941 575897706 /nfs/dbraw/zinc/89/77/06/575897706.db2.gz XCZAXPZXGNGOMR-NWDGAFQWSA-N -1 0 327.471 3.248 20 30 EGEDRM C#Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2C(=O)[O-])nc1 ZINC000736092933 575898461 /nfs/dbraw/zinc/89/84/61/575898461.db2.gz NQGSMYGBDQIDAQ-UHFFFAOYSA-N -1 0 334.253 3.032 20 30 EGEDRM C#Cc1cccc(N(C(=O)c2cccc(OCC(=O)[O-])c2)C(C)C)c1 ZINC000736091312 575898559 /nfs/dbraw/zinc/89/85/59/575898559.db2.gz PHLNWNREWKSABT-UHFFFAOYSA-N -1 0 337.375 3.187 20 30 EGEDRM C#Cc1cccc(NC(=O)NC[C@@H](Cc2cccc(C)c2)C(=O)[O-])c1 ZINC000736091053 575898572 /nfs/dbraw/zinc/89/85/72/575898572.db2.gz NGOONONITFENQS-QGZVFWFLSA-N -1 0 336.391 3.041 20 30 EGEDRM C=C(C)COc1cccc(NC(=O)c2ccc(OCC(=O)[O-])cc2)c1 ZINC000736094538 575898792 /nfs/dbraw/zinc/89/87/92/575898792.db2.gz KOGCSCFAYKMNSZ-UHFFFAOYSA-N -1 0 341.363 3.357 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)CC[C@@H]1CCCCO1 ZINC000736114140 575900710 /nfs/dbraw/zinc/90/07/10/575900710.db2.gz HXTQEBVSYNVXNA-HNNXBMFYSA-N -1 0 348.395 3.377 20 30 EGEDRM CC(C)(NC(=O)[O-])C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000736336121 575937548 /nfs/dbraw/zinc/93/75/48/575937548.db2.gz ATIDYCIOVWGFRC-UHFFFAOYSA-N -1 0 339.351 3.335 20 30 EGEDRM CC(C)CNc1nnc(S[C@@H](C(=O)[O-])c2ccc(C#N)cc2)s1 ZINC000736440624 575962972 /nfs/dbraw/zinc/96/29/72/575962972.db2.gz RMXHDMVIJPZDAR-GFCCVEGCSA-N -1 0 348.453 3.396 20 30 EGEDRM C[C@H](CC(=O)[O-])S[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000736551407 575983175 /nfs/dbraw/zinc/98/31/75/575983175.db2.gz KJMZNTPGPWJCDH-RKDXNWHRSA-N -1 0 326.805 3.135 20 30 EGEDRM CN(CCCC(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1)C(=O)[O-] ZINC000737415513 576224420 /nfs/dbraw/zinc/22/44/20/576224420.db2.gz PCEJASNMIIRZCY-SNVBAGLBSA-N -1 0 335.360 3.002 20 30 EGEDRM Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)SC[C@@H](C)C(=O)[O-])c1 ZINC000738363302 576317868 /nfs/dbraw/zinc/31/78/68/576317868.db2.gz DRQMFJMLPWENAV-HUUCEWRRSA-N -1 0 348.468 3.393 20 30 EGEDRM Cc1cc(NC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)ccc1C(=O)[O-] ZINC000738420997 576323632 /nfs/dbraw/zinc/32/36/32/576323632.db2.gz BFEYFIAHQBRENB-SFHVURJKSA-N -1 0 349.390 3.172 20 30 EGEDRM Cc1ccc(-c2csc(C(C#N)C(=O)[C@H]3C[C@@H]3C(=O)[O-])n2)cc1 ZINC000738487674 576331082 /nfs/dbraw/zinc/33/10/82/576331082.db2.gz DHNAGGUNOVNCRI-RWMBFGLXSA-N -1 0 326.377 3.016 20 30 EGEDRM Cc1cccc(C[C@@H](CNc2ncc(C#N)cc2Cl)C(=O)[O-])c1 ZINC000738707171 576353152 /nfs/dbraw/zinc/35/31/52/576353152.db2.gz DLLDGVRIIAJFTR-AWEZNQCLSA-N -1 0 329.787 3.271 20 30 EGEDRM Cc1ccccc1SCC(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000738785900 576360942 /nfs/dbraw/zinc/36/09/42/576360942.db2.gz OQLFIPKFKZGSEH-KRWDZBQOSA-N -1 0 341.388 3.328 20 30 EGEDRM N#CC1(C(=O)OCc2csc(-c3ccc(C(=O)[O-])cc3)n2)CCC1 ZINC000739065883 576376668 /nfs/dbraw/zinc/37/66/68/576376668.db2.gz DJHGNFRWCDEPSO-UHFFFAOYSA-N -1 0 342.376 3.245 20 30 EGEDRM N#C[C@H](C(=O)c1cccc(C(=O)[O-])c1)c1nc(-c2ccncc2)cs1 ZINC000739073683 576376884 /nfs/dbraw/zinc/37/68/84/576376884.db2.gz FNDJVPVJTHFMGG-CQSZACIVSA-N -1 0 349.371 3.393 20 30 EGEDRM N#C[C@@H](NC(=O)c1cccc(C(=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000739074962 576376904 /nfs/dbraw/zinc/37/69/04/576376904.db2.gz OCAXEKDWPDMJRA-CQSZACIVSA-N -1 0 348.280 3.398 20 30 EGEDRM N#C[C@@H](NC(=O)CCc1ccc(C(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000739076309 576377003 /nfs/dbraw/zinc/37/70/03/576377003.db2.gz ZLPSZLMXBNBCQH-MRXNPFEDSA-N -1 0 342.782 3.352 20 30 EGEDRM N#C[C@@H](COC(=O)c1cccc(NC(=O)[O-])c1)Cc1ccc(F)cc1 ZINC000739075642 576377042 /nfs/dbraw/zinc/37/70/42/576377042.db2.gz ULRMIFOMATZKCC-ZDUSSCGKSA-N -1 0 342.326 3.455 20 30 EGEDRM N#Cc1cc(F)ccc1COC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000739098417 576377888 /nfs/dbraw/zinc/37/78/88/576377888.db2.gz FJDXAEHVOBUZAU-UHFFFAOYSA-N -1 0 327.311 3.072 20 30 EGEDRM N#Cc1ccc([C@@H](Nc2ccc3c(c2)OC(F)(F)O3)C(=O)[O-])cc1 ZINC000739107375 576378272 /nfs/dbraw/zinc/37/82/72/576378272.db2.gz AXQVMOCDGARUTC-CQSZACIVSA-N -1 0 332.262 3.118 20 30 EGEDRM N#Cc1ccc(OCCCNc2ccc(CNC(=O)[O-])cc2)cc1 ZINC000739129254 576379166 /nfs/dbraw/zinc/37/91/66/576379166.db2.gz SIHJOOBKVIGGIX-UHFFFAOYSA-N -1 0 325.368 3.207 20 30 EGEDRM N#Cc1ccc(SCC(=O)O[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000739131599 576379340 /nfs/dbraw/zinc/37/93/40/576379340.db2.gz ALUYGKXOZXSTRP-MRXNPFEDSA-N -1 0 345.351 3.159 20 30 EGEDRM C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cc(F)ccc1C ZINC000741657124 576709117 /nfs/dbraw/zinc/70/91/17/576709117.db2.gz KCOGNOIJLTZHCW-UHFFFAOYSA-N -1 0 337.347 3.086 20 30 EGEDRM CC(C)(C)OC(=O)NC[C@@H]1CCCC1N=Nc1ccc(C(=O)[O-])cc1 ZINC000741760379 576718178 /nfs/dbraw/zinc/71/81/78/576718178.db2.gz YDERFIWCAOICII-ZDUSSCGKSA-N -1 0 347.415 3.478 20 30 EGEDRM O=C([O-])c1cccc(NN=Cc2ccc(Oc3cnccn3)cc2)c1 ZINC000743416636 576808921 /nfs/dbraw/zinc/80/89/21/576808921.db2.gz AGTDVHZACJBZJJ-UHFFFAOYSA-N -1 0 334.335 3.413 20 30 EGEDRM Cc1c(Cl)c(COC(=O)[C@](C)(C#N)CC(=O)[O-])nc2ccccc12 ZINC000820945042 597617778 /nfs/dbraw/zinc/61/77/78/597617778.db2.gz QUQWJZGSGRIUIP-KRWDZBQOSA-N -1 0 346.770 3.244 20 30 EGEDRM C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ccccc1CC(=O)[O-] ZINC000819873873 597651504 /nfs/dbraw/zinc/65/15/04/597651504.db2.gz DZFLGWRZBFNQPB-LBPRGKRZSA-N -1 0 339.351 3.249 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1cc(Br)ccc1Cl ZINC000819847803 598226535 /nfs/dbraw/zinc/22/65/35/598226535.db2.gz OUWQHJCKBBHXRF-GFCCVEGCSA-N -1 0 345.580 3.046 20 30 EGEDRM Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000820979608 598230430 /nfs/dbraw/zinc/23/04/30/598230430.db2.gz ABWAMSMYTFBNGZ-KUHUBIRLSA-N -1 0 343.427 3.317 20 30 EGEDRM N#Cc1ccc([C@@H](OC(=O)c2cc3cccc(F)c3o2)C(=O)[O-])cc1 ZINC000833073115 600699172 /nfs/dbraw/zinc/69/91/72/600699172.db2.gz VTQZAGWHYHEQOT-MRXNPFEDSA-N -1 0 339.278 3.426 20 30 EGEDRM C[C@@H](Oc1ccc(C#N)cc1)c1nc(-c2cccc(C(=O)[O-])c2)no1 ZINC000827879464 600700181 /nfs/dbraw/zinc/70/01/81/600700181.db2.gz QWJBRXGDDACCKA-LLVKDONJSA-N -1 0 335.319 3.446 20 30 EGEDRM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1c1ccc(F)cc1C#N ZINC000828495328 600811773 /nfs/dbraw/zinc/81/17/73/600811773.db2.gz VWOSHFJYNSFPCT-CYBMUJFWSA-N -1 0 339.370 3.111 20 30 EGEDRM C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1c1ccc(F)cc1C#N ZINC000828495330 600811848 /nfs/dbraw/zinc/81/18/48/600811848.db2.gz VWOSHFJYNSFPCT-ZDUSSCGKSA-N -1 0 339.370 3.111 20 30 EGEDRM C=CCOc1ccccc1C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000327139536 600848846 /nfs/dbraw/zinc/84/88/46/600848846.db2.gz LZLMMYZQMQFZID-AWEZNQCLSA-N -1 0 337.375 3.470 20 30 EGEDRM COc1cc(C(=O)[O-])cc(N[C@@H](C)c2ccc(C#N)cc2)c1OC ZINC000831914009 600894753 /nfs/dbraw/zinc/89/47/53/600894753.db2.gz YGNJPFKDGVVJKT-NSHDSACASA-N -1 0 326.352 3.447 20 30 EGEDRM C=CCCO[C@H](C)C(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1 ZINC000825675825 601077883 /nfs/dbraw/zinc/07/78/83/601077883.db2.gz IGCNBZDBSUBRQC-SECBINFHSA-N -1 0 326.418 3.059 20 30 EGEDRM N#C[C@H](COC(=O)CCc1ccc(C(=O)[O-])cc1)Cc1ccccc1 ZINC000833064424 601144645 /nfs/dbraw/zinc/14/46/45/601144645.db2.gz RTPLDGIFQYNTQP-QGZVFWFLSA-N -1 0 337.375 3.243 20 30 EGEDRM O=C([O-])c1cc(C(=O)Nc2cccc(C#Cc3cccs3)c2)ccn1 ZINC000833160033 601273116 /nfs/dbraw/zinc/27/31/16/601273116.db2.gz KWTOJUYJMKKZAJ-UHFFFAOYSA-N -1 0 348.383 3.493 20 30 EGEDRM CC(=O)N1CCCc2cc(N[C@H](C(=O)[O-])c3cccc(C#N)c3)ccc21 ZINC000825834169 601303602 /nfs/dbraw/zinc/30/36/02/601303602.db2.gz LRRKENVZWLACNR-IBGZPJMESA-N -1 0 349.390 3.095 20 30 EGEDRM N#Cc1cccc([C@H](OC(=O)c2ccccc2OC(F)F)C(=O)[O-])c1 ZINC000833077234 601345180 /nfs/dbraw/zinc/34/51/80/601345180.db2.gz NPTSYGBXVWBWAK-AWEZNQCLSA-N -1 0 347.273 3.142 20 30 EGEDRM CC(C)=C[C@@H]1[C@H](C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)C1(C)C ZINC000826647645 601345486 /nfs/dbraw/zinc/34/54/86/601345486.db2.gz JAORGMACQQZHLB-BZUAXINKSA-N -1 0 327.380 3.466 20 30 EGEDRM N#Cc1cccc([C@H](OC(=O)c2ccc3c(c2)CCCC3)C(=O)[O-])c1 ZINC000833075489 601346006 /nfs/dbraw/zinc/34/60/06/601346006.db2.gz BPLOWFCUPBQMDP-SFHVURJKSA-N -1 0 335.359 3.420 20 30 EGEDRM Cc1ccc(CCC(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c(C)c1 ZINC000832930302 601347637 /nfs/dbraw/zinc/34/76/37/601347637.db2.gz GXGAKLDPYQOAJW-IBGZPJMESA-N -1 0 337.375 3.477 20 30 EGEDRM C[C@@H](C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1ccccc1F ZINC000826061394 601352542 /nfs/dbraw/zinc/35/25/42/601352542.db2.gz QEBUHOSFVTZXBX-BDJLRTHQSA-N -1 0 327.311 3.170 20 30 EGEDRM Cc1cccc2c(CC(=O)O[C@H](C(=O)[O-])c3cccc(C#N)c3)c[nH]c21 ZINC000832975543 601354799 /nfs/dbraw/zinc/35/47/99/601354799.db2.gz CGLJPARIXZJGFQ-IBGZPJMESA-N -1 0 348.358 3.260 20 30 EGEDRM N#Cc1cccc([C@H](OC(=O)[C@@H]2C[C@@H]2C2CCCCC2)C(=O)[O-])c1 ZINC000833075580 601355102 /nfs/dbraw/zinc/35/51/02/601355102.db2.gz MIOVUQPQLATBHI-ZACQAIPSSA-N -1 0 327.380 3.444 20 30 EGEDRM CCCC1=C(C(=O)[O-])[C@@H](c2cc(C#N)cs2)NC(=O)N1CC1CC1 ZINC000829245588 601376301 /nfs/dbraw/zinc/37/63/01/601376301.db2.gz KZPQFQBXVVZGJN-OAHLLOKOSA-N -1 0 345.424 3.235 20 30 EGEDRM C=CCCCC(=O)N[C@@](C)(C(=O)[O-])c1cccc(Br)c1 ZINC000825671592 601450746 /nfs/dbraw/zinc/45/07/46/601450746.db2.gz VZRSYVGDOGPGJL-OAHLLOKOSA-N -1 0 340.217 3.221 20 30 EGEDRM CCc1oc(C(=O)[O-])cc1COC(=O)/C=C/c1ccccc1C#N ZINC000830384640 601461298 /nfs/dbraw/zinc/46/12/98/601461298.db2.gz YFUBYHBGCBPPLO-BQYQJAHWSA-N -1 0 325.320 3.168 20 30 EGEDRM C[C@@H](C#N)CNC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000825966369 601556728 /nfs/dbraw/zinc/55/67/28/601556728.db2.gz BBFLFHJJPLGADQ-AWEZNQCLSA-N -1 0 347.374 3.066 20 30 EGEDRM N#Cc1csc(C(=O)Nc2cccc(CSCC(=O)[O-])c2)c1 ZINC000833078642 601557418 /nfs/dbraw/zinc/55/74/18/601557418.db2.gz NHGVGKBDOXCWBR-UHFFFAOYSA-N -1 0 332.406 3.190 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)[C@@H]2C[C@@H]2Cc2ccccc2)C(=O)[O-])cc1 ZINC000833073081 601604865 /nfs/dbraw/zinc/60/48/65/601604865.db2.gz VIMGBVFJVZPRID-KSZLIROESA-N -1 0 335.359 3.106 20 30 EGEDRM O=C([O-])c1ccc(/C=C2/Oc3cc(Br)ccc3C2=O)o1 ZINC000833311876 601613268 /nfs/dbraw/zinc/61/32/68/601613268.db2.gz DZFKIFZGCBLSIW-WUXMJOGZSA-N -1 0 335.109 3.357 20 30 EGEDRM N#Cc1cc(F)c(C(=O)N2CCCc3c(C(=O)[O-])cccc32)c(F)c1 ZINC000833069098 601658625 /nfs/dbraw/zinc/65/86/25/601658625.db2.gz UUAHRPIAICAKRI-UHFFFAOYSA-N -1 0 342.301 3.128 20 30 EGEDRM C=C[C@H](C)NC(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC000825659927 601754305 /nfs/dbraw/zinc/75/43/05/601754305.db2.gz LHMDKZVSZPBEAA-QMMMGPOBSA-N -1 0 332.278 3.022 20 30 EGEDRM CCOC(=O)c1oc2c(c1C)C(=O)/C(=C/c1c[nH]c(C(=O)[O-])c1)CC2 ZINC000829895218 601791907 /nfs/dbraw/zinc/79/19/07/601791907.db2.gz KMJBILNDAVMSPZ-IZZDOVSWSA-N -1 0 343.335 3.004 20 30 EGEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000827219054 601792076 /nfs/dbraw/zinc/79/20/76/601792076.db2.gz WDILBPVJIWXOAJ-JHJVBQTASA-N -1 0 347.440 3.265 20 30 EGEDRM O=C([O-])c1cc(CN=Nc2ncc(C(F)(F)F)cc2Cl)c[nH]1 ZINC000814696640 601795752 /nfs/dbraw/zinc/79/57/52/601795752.db2.gz RXJHTMHKKULIGF-UHFFFAOYSA-N -1 0 332.669 3.226 20 30 EGEDRM N#CC1(OC(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)CCC1 ZINC000833064097 602040871 /nfs/dbraw/zinc/04/08/71/602040871.db2.gz FCCUIYXFBPCCCE-UHFFFAOYSA-N -1 0 328.246 3.398 20 30 EGEDRM C[C@@H](Oc1ccc(C=NNCc2cccc3cccnc32)cc1)C(=O)[O-] ZINC000794896316 602072321 /nfs/dbraw/zinc/07/23/21/602072321.db2.gz KFYLJCJHBNQQTF-CQSZACIVSA-N -1 0 349.390 3.210 20 30 EGEDRM C[C@@H](Oc1ccc(/C=C2/Oc3ccc(F)cc3C2=O)cc1)C(=O)[O-] ZINC000794707131 602110701 /nfs/dbraw/zinc/11/07/01/602110701.db2.gz KJKQVNDKTKNYDR-LYQMGENXSA-N -1 0 328.295 3.294 20 30 EGEDRM CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000826636766 602179010 /nfs/dbraw/zinc/17/90/10/602179010.db2.gz JQYCETAGGBFOEO-UHFFFAOYSA-N -1 0 342.326 3.192 20 30 EGEDRM CCC(=O)c1ccc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000828573831 602270800 /nfs/dbraw/zinc/27/08/00/602270800.db2.gz DCEVONDHSDYBKZ-KRWDZBQOSA-N -1 0 337.331 3.134 20 30 EGEDRM Cc1ccc(NC(=O)C(C)(C)Oc2ccc(C#N)cc2)cc1C(=O)[O-] ZINC000832942711 604300986 /nfs/dbraw/zinc/30/09/86/604300986.db2.gz JOHZNGZRWLUGAG-UHFFFAOYSA-N -1 0 338.363 3.361 20 30 EGEDRM CCC(CC)n1nccc1C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000828874943 604444738 /nfs/dbraw/zinc/44/47/38/604444738.db2.gz WDGFYSGPXQTDCZ-INIZCTEOSA-N -1 0 341.367 3.099 20 30 EGEDRM O=C([O-])COc1ccc(C(=O)/C=C\c2cc(F)c(F)cc2F)cc1 ZINC000833253061 604628282 /nfs/dbraw/zinc/62/82/82/604628282.db2.gz XVKVBKYNDGGHSG-UTCJRWHESA-N -1 0 336.265 3.463 20 30 EGEDRM C=C(C)Cn1c(SC/C=C(\C)C(=O)[O-])nnc1-c1ccncc1 ZINC000825647992 604750079 /nfs/dbraw/zinc/75/00/79/604750079.db2.gz YPBKORHOJDRAMP-WUXMJOGZSA-N -1 0 330.413 3.039 20 30 EGEDRM C#CCOc1cc(F)ccc1NCc1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000833366410 604774532 /nfs/dbraw/zinc/77/45/32/604774532.db2.gz VVQKNINJVNGGED-ZDUSSCGKSA-N -1 0 343.354 3.302 20 30 EGEDRM CC(C)(C(=O)[O-])[C@@H](NC(=O)c1ccc(CC#N)cc1)c1ccccc1 ZINC000833412249 604790209 /nfs/dbraw/zinc/79/02/09/604790209.db2.gz JGCXHXFZDVCHDE-KRWDZBQOSA-N -1 0 336.391 3.335 20 30 EGEDRM COc1cc(/C=C\C(=O)[O-])ccc1OCC#Cc1ccc(F)cc1 ZINC000831975388 604800657 /nfs/dbraw/zinc/80/06/57/604800657.db2.gz FDNKVNMQCJYKGY-XFFZJAGNSA-N -1 0 326.323 3.363 20 30 EGEDRM N#Cc1c(Cl)nsc1N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000833761391 604835695 /nfs/dbraw/zinc/83/56/95/604835695.db2.gz YAIKZZVHTBLOST-GFCCVEGCSA-N -1 0 346.799 3.257 20 30 EGEDRM C=CCOc1ccccc1C(=O)Nc1nc(CC)c(C(=O)[O-])s1 ZINC000833379060 604992757 /nfs/dbraw/zinc/99/27/57/604992757.db2.gz XEACFMZBALEJAB-UHFFFAOYSA-N -1 0 332.381 3.221 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1nc(C)sc1C ZINC000833379399 605137938 /nfs/dbraw/zinc/13/79/38/605137938.db2.gz BUBQTZNOAHKOQG-UHFFFAOYSA-N -1 0 347.392 3.414 20 30 EGEDRM CCc1[nH]c(C(=O)N(CC)c2ccc(C#N)cc2)c(C)c1C(=O)[O-] ZINC000833668645 605149543 /nfs/dbraw/zinc/14/95/43/605149543.db2.gz VZOYHQKZUIJUPY-UHFFFAOYSA-N -1 0 325.368 3.122 20 30 EGEDRM C=CCCC[C@H](C)NS(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC000833373763 605249301 /nfs/dbraw/zinc/24/93/01/605249301.db2.gz BVOSCIRZWKAETQ-JTQLQIEISA-N -1 0 331.821 3.061 20 30 EGEDRM C=CCN(Cc1ccc(OCC(=O)[O-])cc1)Cc1ccccc1F ZINC000833374647 605294471 /nfs/dbraw/zinc/29/44/71/605294471.db2.gz VVVIOPBUNKLLSD-UHFFFAOYSA-N -1 0 329.371 3.477 20 30 EGEDRM C#CCOc1ccccc1CN[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000833366896 605356411 /nfs/dbraw/zinc/35/64/11/605356411.db2.gz LJIYPMIKZZFZRC-KRWDZBQOSA-N -1 0 347.773 3.407 20 30 EGEDRM C[C@@]1(C#N)CCCN([C@@H](C(=O)[O-])c2cccc(Br)c2)C1 ZINC000833551047 605416437 /nfs/dbraw/zinc/41/64/37/605416437.db2.gz GCXLZPZETSQZOO-HIFRSBDPSA-N -1 0 337.217 3.200 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1ncc(C)cc1C ZINC000833379531 605577796 /nfs/dbraw/zinc/57/77/96/605577796.db2.gz FJDVAOHGDGMQKV-UHFFFAOYSA-N -1 0 341.363 3.353 20 30 EGEDRM O=C(C=Cc1ccccc1-c1nn[nH]n1)c1cc(Cl)ccc1[O-] ZINC000826401561 607885299 /nfs/dbraw/zinc/88/52/99/607885299.db2.gz BNQIDMCYUVTJNE-FNORWQNLSA-N -1 0 326.743 3.122 20 30 EGEDRM O=C([N-][C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)C(F)(F)F ZINC000840527315 1321104329 /nfs/dbraw/zinc/10/43/29/1321104329.db2.gz QTWWKCISFKGSFD-ZETCQYMHSA-N -1 0 334.147 3.016 20 30 EGEDRM COc1ccc(C(=O)/C=C/c2c(OC)cc(OC)cc2OC)c([O-])c1 ZINC000029054270 1291321303 /nfs/dbraw/zinc/32/13/03/1291321303.db2.gz UDLXQBMFSFQUJV-BQYQJAHWSA-N -1 0 344.363 3.323 20 30 EGEDRM N#CCOc1cccc([N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000036682881 1291397215 /nfs/dbraw/zinc/39/72/15/1291397215.db2.gz HHTOVLPKDHSZPK-UHFFFAOYSA-N -1 0 328.802 3.105 20 30 EGEDRM O=C(C[C@@H]1C=CCC1)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000042241114 1291437132 /nfs/dbraw/zinc/43/71/32/1291437132.db2.gz KLCXCILDEBMGQP-SECBINFHSA-N -1 0 344.776 3.250 20 30 EGEDRM CC(C)CCC(=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000042241408 1291437148 /nfs/dbraw/zinc/43/71/48/1291437148.db2.gz CTQCWDKHJRWLKJ-UHFFFAOYSA-N -1 0 334.781 3.330 20 30 EGEDRM Cc1cccc(CCC(=O)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000042234166 1291437248 /nfs/dbraw/zinc/43/72/48/1291437248.db2.gz TYVWXGGWSNGKSG-UHFFFAOYSA-N -1 0 348.380 3.181 20 30 EGEDRM Cc1cccc(O[C@@H](C)C(=O)[N-]S(=O)(=O)c2ccccc2C)c1 ZINC000046928091 1291557598 /nfs/dbraw/zinc/55/75/98/1291557598.db2.gz GQLVETASVNYJEG-AWEZNQCLSA-N -1 0 333.409 3.416 20 30 EGEDRM COc1ccccc1C(=O)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000046928669 1291557679 /nfs/dbraw/zinc/55/76/79/1291557679.db2.gz RMZDKCBOFYREOZ-UHFFFAOYSA-N -1 0 331.802 3.104 20 30 EGEDRM Cc1ccc(Br)cc1S(=O)(=O)[N-]C(=O)C(C)(C)C ZINC000048487529 1291607079 /nfs/dbraw/zinc/60/70/79/1291607079.db2.gz DJUGFHGKMFJRCC-UHFFFAOYSA-N -1 0 334.235 3.449 20 30 EGEDRM CCOc1ccccc1C(=O)[N-]S(=O)(=O)C=Cc1ccccc1 ZINC000048529446 1291610360 /nfs/dbraw/zinc/61/03/60/1291610360.db2.gz JTIQBAQFAHMOIP-SEYXRHQNSA-N -1 0 331.393 3.391 20 30 EGEDRM O=C(Cc1cccc(F)c1)[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000048612293 1291613443 /nfs/dbraw/zinc/61/34/43/1291613443.db2.gz RPWVPMKCRRONGP-UHFFFAOYSA-N -1 0 333.384 3.202 20 30 EGEDRM CC(C)S(=O)(=O)[N-]C(=O)Cc1csc(-c2cccs2)n1 ZINC000049417468 1291628493 /nfs/dbraw/zinc/62/84/93/1291628493.db2.gz AMVWQWMDLBNSMB-UHFFFAOYSA-N -1 0 330.456 3.109 20 30 EGEDRM CC(C)S(=O)(=O)[N-]C(=O)CCc1ccccc1Br ZINC000049417524 1291628578 /nfs/dbraw/zinc/62/85/78/1291628578.db2.gz AITTTZIHXIDGBR-UHFFFAOYSA-N -1 0 334.235 3.076 20 30 EGEDRM CC(=CC(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000054422503 1291751576 /nfs/dbraw/zinc/75/15/76/1291751576.db2.gz CUFGSBNFSICTKK-VAWYXSNFSA-N -1 0 346.364 3.344 20 30 EGEDRM O=C(CCC1CCCC1)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000054491972 1291753471 /nfs/dbraw/zinc/75/34/71/1291753471.db2.gz BOJXDEQOQXJEEJ-UHFFFAOYSA-N -1 0 344.364 3.350 20 30 EGEDRM O=C([N-]S(=O)(=O)C1CCCCC1)c1cccc(OC(F)F)c1 ZINC000058078301 1291877828 /nfs/dbraw/zinc/87/78/28/1291877828.db2.gz MSDISZXKXHBXRW-UHFFFAOYSA-N -1 0 333.356 3.255 20 30 EGEDRM O=C([N-]S(=O)(=O)Cc1ccc(Cl)nc1)c1ccccc1Cl ZINC000058150790 1291881626 /nfs/dbraw/zinc/88/16/26/1291881626.db2.gz AQLHDGPPOVKOJH-UHFFFAOYSA-N -1 0 345.207 3.223 20 30 EGEDRM CC(C)(C)c1ncc(C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)s1 ZINC000063234287 1292003631 /nfs/dbraw/zinc/00/36/31/1292003631.db2.gz JZVGOMYTCLKZEV-UHFFFAOYSA-N -1 0 349.437 3.006 20 30 EGEDRM COc1ccc(CCC/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc1OC ZINC000064925445 1292069233 /nfs/dbraw/zinc/06/92/33/1292069233.db2.gz IYJWFLJQGIXQRC-XDHOZWIPSA-N -1 0 344.367 3.369 20 30 EGEDRM C[C@]1(C([O-])=C(C#N)c2nc3ccccc3o2)Cc2ccccc2C(=O)O1 ZINC000066516858 1292119495 /nfs/dbraw/zinc/11/94/95/1292119495.db2.gz HOIWNSVBZRAETJ-VBKZILBWSA-N -1 0 346.342 3.176 20 30 EGEDRM CSC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000067002757 1292138752 /nfs/dbraw/zinc/13/87/52/1292138752.db2.gz NOKHIOQCGIEPIM-SSDOTTSWSA-N -1 0 325.814 3.123 20 30 EGEDRM CSC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000067001230 1292138836 /nfs/dbraw/zinc/13/88/36/1292138836.db2.gz IYJLKAJYFLGJFZ-NSHDSACASA-N -1 0 327.471 3.210 20 30 EGEDRM CCOc1ccc(S(=O)(=O)[N-]C(=O)c2cc(F)ccc2C)cc1 ZINC000069525159 1292244189 /nfs/dbraw/zinc/24/41/89/1292244189.db2.gz LEPDQLFIRVGLAH-UHFFFAOYSA-N -1 0 337.372 3.226 20 30 EGEDRM O=C(COCc1ccccc1)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000069525794 1292244473 /nfs/dbraw/zinc/24/44/73/1292244473.db2.gz TYQRCXGZTLEFDW-UHFFFAOYSA-N -1 0 345.829 3.264 20 30 EGEDRM CN(Cc1ccccc1)S(=O)(=O)[N-]C(=O)CCc1cccs1 ZINC000069643417 1292247072 /nfs/dbraw/zinc/24/70/72/1292247072.db2.gz VSXYWWLYLPZQBZ-UHFFFAOYSA-N -1 0 338.454 3.014 20 30 EGEDRM C[C@H](CCc1ccccc1F)C(=O)[N-]S(=O)(=O)N1CCCCC1 ZINC000076877765 1292448131 /nfs/dbraw/zinc/44/81/31/1292448131.db2.gz NQCYEERUKFXCMJ-CYBMUJFWSA-N -1 0 342.436 3.082 20 30 EGEDRM CSc1ccc(C)c(C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000077943990 1292490919 /nfs/dbraw/zinc/49/09/19/1292490919.db2.gz OFOIGOOKQZNNCF-UHFFFAOYSA-N -1 0 346.433 3.282 20 30 EGEDRM CC(C)(C)c1cc(C(=O)[N-]S(=O)(=O)C=Cc2ccccc2)[nH]n1 ZINC000079732986 1292573498 /nfs/dbraw/zinc/57/34/98/1292573498.db2.gz RUHJAESQGVKREA-MDZDMXLPSA-N -1 0 333.413 3.013 20 30 EGEDRM Cc1ccc(OCCCC(=O)[N-]S(=O)(=O)C2CCCC2)cc1 ZINC000086055419 1292727176 /nfs/dbraw/zinc/72/71/76/1292727176.db2.gz QOINMEQULJCWML-UHFFFAOYSA-N -1 0 325.430 3.383 20 30 EGEDRM Cc1c(C(=O)[N-]S(=O)(=O)C=Cc2ccccc2)cnn1C(C)C ZINC000092693462 1292883019 /nfs/dbraw/zinc/88/30/19/1292883019.db2.gz HXPAIXYATVSPDL-MDZDMXLPSA-N -1 0 333.413 3.078 20 30 EGEDRM Cc1c(C(=O)[N-]S(=O)(=O)c2ccc(C)cc2C)cnn1C(C)C ZINC000092693171 1292883113 /nfs/dbraw/zinc/88/31/13/1292883113.db2.gz HLJDSHQAUPNPHY-UHFFFAOYSA-N -1 0 335.429 3.083 20 30 EGEDRM C=C[C@H](C)ON=C(C)c1cc(Br)ccc1OCC(=O)[O-] ZINC000844621031 1321626103 /nfs/dbraw/zinc/62/61/03/1321626103.db2.gz UJFHSPHQNHWDPQ-VIFPVBQESA-N -1 0 342.189 3.228 20 30 EGEDRM CCOC(=O)[C@@H]1CCC(N=Nc2ccc(C(=O)[O-])c(F)c2)C[C@H]1C ZINC000835010103 1293186588 /nfs/dbraw/zinc/18/65/88/1293186588.db2.gz OHINZFNPQVWNRH-ZWNOBZJWSA-N -1 0 336.363 3.291 20 30 EGEDRM O=C([O-])CCOc1cccc(C=NN[C@H]2CCc3c2cccc3F)c1 ZINC000835019677 1293189698 /nfs/dbraw/zinc/18/96/98/1293189698.db2.gz FLDQUMXWEBMBGF-SFHVURJKSA-N -1 0 342.370 3.290 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2sc(N(C)C)nc2Cl)n1 ZINC000835034337 1293191082 /nfs/dbraw/zinc/19/10/82/1293191082.db2.gz AFMMVGMXBNOGPV-ZETCQYMHSA-N -1 0 326.834 3.118 20 30 EGEDRM Cc1ccc(C([O-])=C(C#N)C(=O)NCc2ccccc2)c2c1CCC2 ZINC000835061925 1293196833 /nfs/dbraw/zinc/19/68/33/1293196833.db2.gz PUGVNPODVHSRFE-IBGZPJMESA-N -1 0 332.403 3.123 20 30 EGEDRM C=CCC1(C(=O)[N-]S(=O)(=O)c2ccc(SC)cc2)CCCC1 ZINC000835331185 1293265094 /nfs/dbraw/zinc/26/50/94/1293265094.db2.gz VFCFHXZPMSEMIN-UHFFFAOYSA-N -1 0 339.482 3.350 20 30 EGEDRM C=CC(C)(C)C(=O)[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000835405446 1293284700 /nfs/dbraw/zinc/28/47/00/1293284700.db2.gz RQSKCXPKESOCQZ-UHFFFAOYSA-N -1 0 336.240 3.319 20 30 EGEDRM O=C(/C=C/c1cccc(F)c1)c1ccc([O-])c(CN2CCOCC2)c1 ZINC000119818885 1293289446 /nfs/dbraw/zinc/28/94/46/1293289446.db2.gz MILPCOFJFIFYIH-GQCTYLIASA-N -1 0 341.382 3.260 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccn(C2CCCC2)n1 ZINC000121460797 1293372639 /nfs/dbraw/zinc/37/26/39/1293372639.db2.gz ALXKOKGKKFNJOZ-HNNXBMFYSA-N -1 0 330.432 3.017 20 30 EGEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1coc(-c2ccccc2)n1 ZINC000121671896 1293383613 /nfs/dbraw/zinc/38/36/13/1293383613.db2.gz IVLDSGBVSCOVOK-HNNXBMFYSA-N -1 0 337.379 3.113 20 30 EGEDRM C=CCO[N-]C(=O)C(=O)Nc1cccc(CSC2CCCCC2)c1 ZINC000835972286 1293412838 /nfs/dbraw/zinc/41/28/38/1293412838.db2.gz VDJCXQLMNLHRJE-UHFFFAOYSA-N -1 0 348.468 3.425 20 30 EGEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1cc2c(s1)CCCCCC2 ZINC000122694821 1293422259 /nfs/dbraw/zinc/42/22/59/1293422259.db2.gz RXWDMNZCBBJMOS-ZDUSSCGKSA-N -1 0 341.436 3.346 20 30 EGEDRM Cc1nc(-c2cccs2)sc1C([O-])=C(C#N)C(=O)N1CCCC1 ZINC000124581328 1293480203 /nfs/dbraw/zinc/48/02/03/1293480203.db2.gz POCPRIVSOIYZEK-LLVKDONJSA-N -1 0 345.449 3.125 20 30 EGEDRM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(CC#N)cc2)c1 ZINC000130518418 1293660002 /nfs/dbraw/zinc/66/00/02/1293660002.db2.gz PMNSTSRSBITPQG-UHFFFAOYSA-N -1 0 348.811 3.409 20 30 EGEDRM O=C(/C=C/c1cnn(Cc2ccccc2)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000136509176 1293817276 /nfs/dbraw/zinc/81/72/76/1293817276.db2.gz DWIJICCXZUNJBB-SOFGYWHQSA-N -1 0 349.346 3.441 20 30 EGEDRM C=CCn1c(=O)c2ccc(C(=O)N[C@@H](C)CCC)cc2[n-]c1=S ZINC000137567555 1293830981 /nfs/dbraw/zinc/83/09/81/1293830981.db2.gz GPMAKVWPEZTTMZ-NSHDSACASA-N -1 0 331.441 3.163 20 30 EGEDRM O=C(/C=C/c1ccc(N2CCOCC2)c(F)c1)c1cc(F)ccc1[O-] ZINC000156667543 1294154278 /nfs/dbraw/zinc/15/42/78/1294154278.db2.gz COVLPKKCBPCHAX-GORDUTHDSA-N -1 0 345.345 3.403 20 30 EGEDRM C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(C)s1 ZINC000157992316 1294193104 /nfs/dbraw/zinc/19/31/04/1294193104.db2.gz LYYRTVCAHFBEAK-UHFFFAOYSA-N -1 0 325.386 3.008 20 30 EGEDRM C#Cc1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000158577008 1294207896 /nfs/dbraw/zinc/20/78/96/1294207896.db2.gz LIDZOUDMQPVHFW-UHFFFAOYSA-N -1 0 336.756 3.030 20 30 EGEDRM CC1(C)COCCN1CC/N=C/c1cc(Cl)cc(Cl)c1[O-] ZINC000170839472 1294384229 /nfs/dbraw/zinc/38/42/29/1294384229.db2.gz YHBIVONONDWFEG-GIJQJNRQSA-N -1 0 331.243 3.229 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(SC(F)F)c2)cn1 ZINC000171346831 1294403851 /nfs/dbraw/zinc/40/38/51/1294403851.db2.gz CTCTXDVUVQLCOR-UHFFFAOYSA-N -1 0 341.364 3.069 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)c2ccnc(OCc3ccccc3)c2)c1 ZINC000176817961 1294633872 /nfs/dbraw/zinc/63/38/72/1294633872.db2.gz LFDDTIFSRIQXLD-UHFFFAOYSA-N -1 0 345.358 3.490 20 30 EGEDRM Cc1oc(-c2ccsc2)nc1CC(=O)Nc1cc(C#N)ccc1[O-] ZINC000176822475 1294635905 /nfs/dbraw/zinc/63/59/05/1294635905.db2.gz DVWANAVARHKVKY-UHFFFAOYSA-N -1 0 339.376 3.470 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)COc2ccc(C(F)(F)F)cc2)c1 ZINC000176823215 1294636024 /nfs/dbraw/zinc/63/60/24/1294636024.db2.gz OHJOUGGDBJXORZ-UHFFFAOYSA-N -1 0 336.269 3.300 20 30 EGEDRM CCCCCCCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000180875759 1294922463 /nfs/dbraw/zinc/92/24/63/1294922463.db2.gz YFHVYQNEJYPKDE-UHFFFAOYSA-N -1 0 339.457 3.177 20 30 EGEDRM O=C([O-])COc1cccc(/C=C2\Oc3cc(F)cc(F)c3C2=O)c1 ZINC000184350524 1295190752 /nfs/dbraw/zinc/19/07/52/1295190752.db2.gz XLVALVXFSJLSIC-RZNTYIFUSA-N -1 0 332.258 3.044 20 30 EGEDRM COc1cc(OC)c(OC)cc1/C=C1/Cc2cc(O)ccc2C1=O ZINC000187229319 1295376254 /nfs/dbraw/zinc/37/62/54/1295376254.db2.gz ADHSZYNWMBXTJD-QPEQYQDCSA-N -1 0 326.348 3.240 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)c1ccc(OC)c(-c2ccccc2)c1 ZINC000191274916 1295665317 /nfs/dbraw/zinc/66/53/17/1295665317.db2.gz GHKWDXXYPWUMND-UHFFFAOYSA-N -1 0 325.364 3.075 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(OC(F)(F)F)cc1 ZINC000193369099 1295858738 /nfs/dbraw/zinc/85/87/38/1295858738.db2.gz RNMSDFIIXCHTDC-ZDUSSCGKSA-N -1 0 342.317 3.214 20 30 EGEDRM COc1cccc(/C=C/C(=O)c2cccc(OCC(=O)[O-])c2)c1F ZINC000195502232 1296075017 /nfs/dbraw/zinc/07/50/17/1296075017.db2.gz VFBYHPGCRXDJKZ-CMDGGOBGSA-N -1 0 330.311 3.194 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000232177867 1296173114 /nfs/dbraw/zinc/17/31/14/1296173114.db2.gz CKDCMCXTDRSHHD-UHFFFAOYSA-N -1 0 347.596 3.207 20 30 EGEDRM COc1cc(C=Nn2c(-c3ccccc3F)n[n-]c2=S)ccc1O ZINC000254741045 1296476360 /nfs/dbraw/zinc/47/63/60/1296476360.db2.gz DJJBFEUMOYQKQZ-UHFFFAOYSA-N -1 0 344.371 3.343 20 30 EGEDRM Cc1c(C(=O)/C=C\c2ccc([O-])c([N+](=O)[O-])c2)cccc1[N+](=O)[O-] ZINC000254951422 1296481902 /nfs/dbraw/zinc/48/19/02/1296481902.db2.gz QNKRSXZUKOBLGP-ALCCZGGFSA-N -1 0 328.280 3.413 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2cccc(OC3CCCC3)c2)C(=O)O1 ZINC000254950666 1296481923 /nfs/dbraw/zinc/48/19/23/1296481923.db2.gz NTYFKUQCRWGTGF-ZBTAVZRMSA-N -1 0 340.375 3.236 20 30 EGEDRM CON=Cc1ccc(C(=O)Nc2ccc3[n-]c(=S)oc3c2)cc1 ZINC000255106951 1296498554 /nfs/dbraw/zinc/49/85/54/1296498554.db2.gz OEEWIMULDOCUGB-UHFFFAOYSA-N -1 0 327.365 3.349 20 30 EGEDRM CN(C)c1nc2cc(N=Cc3cc([N+](=O)[O-])ccc3[O-])ccc2o1 ZINC000255673686 1296559473 /nfs/dbraw/zinc/55/94/73/1296559473.db2.gz ZEXZYRWBBNNIGK-UHFFFAOYSA-N -1 0 326.312 3.258 20 30 EGEDRM COCCOc1cccc(/C=C\C(=O)c2ccc(OC)cc2[O-])c1 ZINC000255869098 1296574160 /nfs/dbraw/zinc/57/41/60/1296574160.db2.gz FHTMCOYNTFZVCR-TWGQIWQCSA-N -1 0 328.364 3.322 20 30 EGEDRM C=CCC[C@@H](NC(=O)C1(c2ccc(OC)cc2)CCCC1)C(=O)[O-] ZINC000262907146 1296651876 /nfs/dbraw/zinc/65/18/76/1296651876.db2.gz MVYJISAYPUDFFM-MRXNPFEDSA-N -1 0 331.412 3.043 20 30 EGEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N/C[C@H](O)c2ccsc2)c1[O-] ZINC000304261576 1296908875 /nfs/dbraw/zinc/90/88/75/1296908875.db2.gz FWNHBBAVQUPBJK-WJBQVEFQSA-N -1 0 326.761 3.168 20 30 EGEDRM CC(C)(C)OC(=O)N=c1[nH]c(C=NO[C@H]2CCCCO2)cs1 ZINC000872360139 1296924062 /nfs/dbraw/zinc/92/40/62/1296924062.db2.gz BQHWIODLRDOKDD-NSHDSACASA-N -1 0 327.406 3.367 20 30 EGEDRM O=C([O-])Cn1cc(C=NNC[C@H]2CCCC2(F)F)c2ccccc21 ZINC000872405756 1296938942 /nfs/dbraw/zinc/93/89/42/1296938942.db2.gz CWBPJQLJLDXTAP-CYBMUJFWSA-N -1 0 335.354 3.085 20 30 EGEDRM Cc1nn(C)c2nc(Cl)cc(N=NC3CC[C@H](C(=O)[O-])[C@H](C)C3)c12 ZINC000872422064 1296951493 /nfs/dbraw/zinc/95/14/93/1296951493.db2.gz FVMQAIALEPFMNP-KCJUWKMLSA-N -1 0 349.822 3.219 20 30 EGEDRM C[C@H](C(=O)N=c1[nH][n-]c(C2CC2)c1C#N)c1ccc(C(F)(F)F)cc1 ZINC000359728465 1297491059 /nfs/dbraw/zinc/49/10/59/1297491059.db2.gz WZURSJVXBIKAKA-VIFPVBQESA-N -1 0 348.328 3.342 20 30 EGEDRM CC(=O)Nc1ccc(C(=O)/C=C\c2cc([O-])ccc2[N+](=O)[O-])cc1 ZINC000588419508 1298062442 /nfs/dbraw/zinc/06/24/42/1298062442.db2.gz RBHSHNQDIVAOQL-WTKPLQERSA-N -1 0 326.308 3.155 20 30 EGEDRM O=C([O-])CCCOc1ccc(C(=O)/C=C\c2ccc(F)nc2)cc1 ZINC000588523736 1298078221 /nfs/dbraw/zinc/07/82/21/1298078221.db2.gz SIMWACHHPCDDJU-OQFOIZHKSA-N -1 0 329.327 3.360 20 30 EGEDRM Cc1c(C(=O)[O-])oc2c1C(N=Nc1oc(C(C)C)nc1C#N)CCC2 ZINC000745612185 1298430692 /nfs/dbraw/zinc/43/06/92/1298430692.db2.gz TXKKBSUXPAGHSN-UHFFFAOYSA-N -1 0 342.355 3.422 20 30 EGEDRM Cc1cccnc1CC(=NNc1cnnc([O-])c1Cl)C(F)(F)F ZINC000746368307 1298576137 /nfs/dbraw/zinc/57/61/37/1298576137.db2.gz ICBXSPYWIBAJOP-UHFFFAOYSA-N -1 0 345.712 3.112 20 30 EGEDRM O=c1c2ccccc2[n-]c(=S)n1N=Cc1c[nH]c2ccc(F)cc12 ZINC000747046882 1298715987 /nfs/dbraw/zinc/71/59/87/1298715987.db2.gz LJUWZOZRKDHJKP-UHFFFAOYSA-N -1 0 338.367 3.188 20 30 EGEDRM COc1ccc(C)cc1/C=C\C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000747112665 1298729622 /nfs/dbraw/zinc/72/96/22/1298729622.db2.gz MOXMOVHUSVORIU-FPLPWBNLSA-N -1 0 326.348 3.363 20 30 EGEDRM COc1ccc(C(=O)/C=C/c2cc(C#N)cs2)cc1CC(=O)[O-] ZINC000748440342 1299008218 /nfs/dbraw/zinc/00/82/18/1299008218.db2.gz JUKPHASKHSHRGV-ONEGZZNKSA-N -1 0 327.361 3.152 20 30 EGEDRM COc1cc(/C=C2/Oc3ccc(F)cc3C2=O)cc([N+](=O)[O-])c1[O-] ZINC000749744930 1299263110 /nfs/dbraw/zinc/26/31/10/1299263110.db2.gz CACYKCNJUJSZJP-MKMNVTDBSA-N -1 0 331.255 3.064 20 30 EGEDRM [O-]c1c(F)cc(C=NN2C(=S)N=NC2c2ccccc2)cc1F ZINC000749857308 1299287475 /nfs/dbraw/zinc/28/74/75/1299287475.db2.gz BSKGVDATDDACEZ-UHFFFAOYSA-N -1 0 332.335 3.100 20 30 EGEDRM CCn1nc(C)c(C(=O)/C=C\c2ccc(OCCC(=O)[O-])cc2)c1C ZINC000750908778 1299476780 /nfs/dbraw/zinc/47/67/80/1299476780.db2.gz HASQCFJNEBWOKE-YFHOEESVSA-N -1 0 342.395 3.269 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])c(/C=N/CCc2ccn(-c3ccccc3)n2)c1 ZINC000750949126 1299485278 /nfs/dbraw/zinc/48/52/78/1299485278.db2.gz SHGBFOMMUAGKFI-CPNJWEJPSA-N -1 0 336.351 3.148 20 30 EGEDRM COc1cccc2c1OCC[C@H]2/N=C/c1cc([N+](=O)[O-])ccc1[O-] ZINC000750950686 1299486609 /nfs/dbraw/zinc/48/66/09/1299486609.db2.gz ZFBREMYNUQRVNJ-YFEUJDIGSA-N -1 0 328.324 3.252 20 30 EGEDRM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1cc(C#N)cs1 ZINC000752160830 1299705466 /nfs/dbraw/zinc/70/54/66/1299705466.db2.gz MQKLSMOZNVOTFW-JTQLQIEISA-N -1 0 329.768 3.234 20 30 EGEDRM O=C(/C=C\c1ccc([O-])c([N+](=O)[O-])c1)c1cc(F)ccc1[N+](=O)[O-] ZINC000752875408 1299811801 /nfs/dbraw/zinc/81/18/01/1299811801.db2.gz PMRJMHBMZFROPP-KTAJNNJTSA-N -1 0 332.243 3.244 20 30 EGEDRM CC[C@H](C)c1ccc(C([O-])=C(C#N)C(=O)NCCCOC(C)C)cc1 ZINC000756222513 1300454058 /nfs/dbraw/zinc/45/40/58/1300454058.db2.gz BLIPLLKXEQZTJJ-YJBOKZPZSA-N -1 0 344.455 3.454 20 30 EGEDRM O=C([O-])CCOc1ccc(C=NNCc2cccc(Cl)c2)cc1 ZINC000756827200 1300572190 /nfs/dbraw/zinc/57/21/90/1300572190.db2.gz KAVBAGHCOQGAFV-UHFFFAOYSA-N -1 0 332.787 3.317 20 30 EGEDRM C=CCOc1cccc(CN=Nc2ccc(C(=O)[O-])cc2OC)c1 ZINC000756901045 1300585461 /nfs/dbraw/zinc/58/54/61/1300585461.db2.gz HBRODAQRZIHRCE-UHFFFAOYSA-N -1 0 326.352 3.404 20 30 EGEDRM CC(=NNCc1cccc(Cl)c1)c1cccc(OCC(=O)[O-])c1 ZINC000757465584 1300672220 /nfs/dbraw/zinc/67/22/20/1300672220.db2.gz RWYQXQSWELGJDS-UHFFFAOYSA-N -1 0 332.787 3.317 20 30 EGEDRM Cc1ccc(O)c(C(=O)/C=C/c2ccc(OCCC(=O)[O-])cc2)c1 ZINC000757469055 1300673098 /nfs/dbraw/zinc/67/30/98/1300673098.db2.gz YVTNKSWFUKSCKK-WEVVVXLNSA-N -1 0 326.348 3.450 20 30 EGEDRM COc1ccc(C(=O)/C=C\c2c(Cl)nc(Cl)n2C)c([O-])c1 ZINC000757471686 1300673667 /nfs/dbraw/zinc/67/36/67/1300673667.db2.gz JHHVVLCPMFLWNY-WAYWQWQTSA-N -1 0 327.167 3.337 20 30 EGEDRM COc1ccc(C(=O)/C=C\c2ccc(-n3cncn3)c(F)c2)c([O-])c1 ZINC000757472685 1300675810 /nfs/dbraw/zinc/67/58/10/1300675810.db2.gz RRQLVXXYFZOEMN-CLTKARDFSA-N -1 0 339.326 3.017 20 30 EGEDRM Cn1nc(C/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])c2ccccc21 ZINC000758815201 1300958422 /nfs/dbraw/zinc/95/84/22/1300958422.db2.gz JZGFDNSVHVQSGN-QGMBQPNBSA-N -1 0 344.758 3.460 20 30 EGEDRM COc1cc(/C=C/C(=O)c2cccc(O)c2)ccc1OCCC(=O)[O-] ZINC000763369577 1301888197 /nfs/dbraw/zinc/88/81/97/1301888197.db2.gz NNJUPRDPGOROFQ-FNORWQNLSA-N -1 0 342.347 3.150 20 30 EGEDRM [O-]c1c(Br)cc(Cl)cc1C=NOC[C@H]1CCOC1 ZINC000884453840 1302863574 /nfs/dbraw/zinc/86/35/74/1302863574.db2.gz ZMODOTDDVXQQJE-QMMMGPOBSA-N -1 0 334.597 3.195 20 30 EGEDRM C#CCCN(CC(F)(F)F)C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000768616064 1302947186 /nfs/dbraw/zinc/94/71/86/1302947186.db2.gz BGXPWQDIOASGQB-UHFFFAOYSA-N -1 0 328.315 3.144 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)C2CCC(C)(C)CC2)n1 ZINC000768689285 1302960690 /nfs/dbraw/zinc/96/06/90/1302960690.db2.gz FPKUOLXJXKHUTF-ZDUSSCGKSA-N -1 0 334.441 3.387 20 30 EGEDRM Cc1cc(C(C#N)=C([O-])c2csc(-c3ccccn3)n2)nc(C)n1 ZINC000768781535 1302977620 /nfs/dbraw/zinc/97/76/20/1302977620.db2.gz SSCKYBBIBUATBT-LBPRGKRZSA-N -1 0 335.392 3.102 20 30 EGEDRM COc1ccsc1C(=O)/C=C\c1ccc(OCC(=O)[O-])c(OC)c1 ZINC000769746156 1303169157 /nfs/dbraw/zinc/16/91/57/1303169157.db2.gz AREFXHNCHXRYDO-HYXAFXHYSA-N -1 0 348.376 3.125 20 30 EGEDRM C[C@@H](Oc1cccc(C(=O)/C=C\c2ccc(F)c(C#N)c2)c1)C(=O)[O-] ZINC000770574790 1303287980 /nfs/dbraw/zinc/28/79/80/1303287980.db2.gz ZTWFVOUIKWXERZ-XYLWRLHESA-N -1 0 339.322 3.445 20 30 EGEDRM CCCCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1 ZINC000771070952 1303356383 /nfs/dbraw/zinc/35/63/83/1303356383.db2.gz ICDBDFDMRBIODP-CQSZACIVSA-N -1 0 328.478 3.123 20 30 EGEDRM C[C@@H](C#N)CNN=Cc1cccc(OCc2ccccc2C(=O)[O-])c1 ZINC000771103531 1303360387 /nfs/dbraw/zinc/36/03/87/1303360387.db2.gz NGQYVDUVCRVSTA-AWEZNQCLSA-N -1 0 337.379 3.047 20 30 EGEDRM N#C[C@@]1(NC(=O)c2cccc(Cl)c2[O-])CCc2ccccc2C1 ZINC000771592485 1303423829 /nfs/dbraw/zinc/42/38/29/1303423829.db2.gz WHZDGKJQPNOCTN-GOSISDBHSA-N -1 0 326.783 3.227 20 30 EGEDRM CCC(=Nn1c(C(F)(F)F)n[n-]c1=S)c1ccc(C#N)cc1 ZINC000773005084 1303605126 /nfs/dbraw/zinc/60/51/26/1303605126.db2.gz ILXOHKIDMHVCKR-UHFFFAOYSA-N -1 0 325.319 3.120 20 30 EGEDRM C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1c(C)cccc1F ZINC000775280996 1303932818 /nfs/dbraw/zinc/93/28/18/1303932818.db2.gz NULKSICATZKALF-UHFFFAOYSA-N -1 0 337.347 3.086 20 30 EGEDRM CC(C)(C#N)CS(=O)(=O)[N-]C(=O)c1sccc1-c1ccccc1 ZINC000776138397 1304101626 /nfs/dbraw/zinc/10/16/26/1304101626.db2.gz ISVRXXLEHCYPOS-UHFFFAOYSA-N -1 0 348.449 3.024 20 30 EGEDRM CCc1cnccc1C(=O)/C=C\c1ccc(OCC(=O)[O-])c(OC)c1 ZINC000776191635 1304110494 /nfs/dbraw/zinc/11/04/94/1304110494.db2.gz IRJWJEPETODHPC-XQRVVYSFSA-N -1 0 341.363 3.012 20 30 EGEDRM CC(=NN=c1[nH]c2ccccc2n1C)c1ccc(C(=O)[O-])c(F)c1 ZINC000776766690 1304196402 /nfs/dbraw/zinc/19/64/02/1304196402.db2.gz LFXPOKRCOBXRHB-UHFFFAOYSA-N -1 0 326.331 3.247 20 30 EGEDRM Cc1nnc(N=NCCCOc2ccc(Cl)c(Cl)c2)[n-]c1=O ZINC000777423918 1304294073 /nfs/dbraw/zinc/29/40/73/1304294073.db2.gz LDKPBUAGIPVKTO-UHFFFAOYSA-N -1 0 342.186 3.059 20 30 EGEDRM C=CC[C@H](C(=O)OCC(=O)[N-]OCc1ccccc1)c1ccccc1 ZINC000778417240 1304447765 /nfs/dbraw/zinc/44/77/65/1304447765.db2.gz GERRQISJGLRQTI-SFHVURJKSA-N -1 0 339.391 3.138 20 30 EGEDRM Cc1nc(SCC(=O)[N-]OC2CCCCC2)c(C#N)c(C)c1C ZINC000779322292 1304556271 /nfs/dbraw/zinc/55/62/71/1304556271.db2.gz SEZPJWKCEGEQSE-UHFFFAOYSA-N -1 0 333.457 3.351 20 30 EGEDRM C=CCC[C@@H](NC(=O)N[C@@H](CC(F)F)C(=O)[O-])c1ccccc1 ZINC000780689716 1304725427 /nfs/dbraw/zinc/72/54/27/1304725427.db2.gz KNJFRIQNOTXSBY-OLZOCXBDSA-N -1 0 326.343 3.102 20 30 EGEDRM Cc1c(C([O-])=C(C#N)C(=O)NC2CCCC2)cnn1C1CCCCC1 ZINC000781448650 1304829240 /nfs/dbraw/zinc/82/92/40/1304829240.db2.gz PBUJSZOWYNHPLM-MRXNPFEDSA-N -1 0 342.443 3.078 20 30 EGEDRM O=c1c2ccccc2[n-]c(=S)n1N=Cc1ccc2cnccc2c1 ZINC000782186066 1304927725 /nfs/dbraw/zinc/92/77/25/1304927725.db2.gz VMQOOXDPSARWIE-UHFFFAOYSA-N -1 0 332.388 3.116 20 30 EGEDRM COc1cc(C=NN[C@@H]2CCCC2(C)C)ccc1OCCC(=O)[O-] ZINC000782299719 1304950101 /nfs/dbraw/zinc/95/01/01/1304950101.db2.gz JCGDIIAJLLAMEF-MRXNPFEDSA-N -1 0 334.416 3.051 20 30 EGEDRM CN(C)C(=O)Sc1ccccc1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000785415627 1305347124 /nfs/dbraw/zinc/34/71/24/1305347124.db2.gz MUVIWTWSONWEHY-UHFFFAOYSA-N -1 0 341.392 3.290 20 30 EGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC000892425617 1305366921 /nfs/dbraw/zinc/36/69/21/1305366921.db2.gz YHUMEHKQMAOTAI-WWVJOHPTSA-N -1 0 336.391 3.183 20 30 EGEDRM Cc1ccnc(Oc2ccc(C([O-])=C(C#N)C(=O)NC(C)C)cc2)c1 ZINC000892498410 1305407861 /nfs/dbraw/zinc/40/78/61/1305407861.db2.gz IETFWJBFTYBXTI-MRXNPFEDSA-N -1 0 337.379 3.029 20 30 EGEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1ccc2c(c1)CCO2)c1ccccc1 ZINC000787035350 1305679675 /nfs/dbraw/zinc/67/96/75/1305679675.db2.gz DNMDUTMDHRAGEY-ZWKOTPCHSA-N -1 0 348.402 3.211 20 30 EGEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1cc(C)n(C)c1C)c1ccccc1 ZINC000787047860 1305684960 /nfs/dbraw/zinc/68/49/60/1305684960.db2.gz YSYAFZFRTJQJKB-ROUUACIJSA-N -1 0 337.423 3.232 20 30 EGEDRM N#CCCNC(=O)c1ccsc1NC(=O)c1ccc(Cl)cc1[O-] ZINC000787630062 1305769009 /nfs/dbraw/zinc/76/90/09/1305769009.db2.gz PAGLZVUVNSTJON-UHFFFAOYSA-N -1 0 349.799 3.003 20 30 EGEDRM COc1ccc(N=NC(C)c2cc(C(=O)[O-])ccc2C)c([N+](=O)[O-])c1 ZINC000788435390 1305941153 /nfs/dbraw/zinc/94/11/53/1305941153.db2.gz RAELABCBVXBYGB-UHFFFAOYSA-N -1 0 343.339 3.446 20 30 EGEDRM CC(=NNCCCOc1ccccc1)c1cc(C(=O)[O-])ccc1C ZINC000788429654 1305941316 /nfs/dbraw/zinc/94/13/16/1305941316.db2.gz MBMIMRSPLOKVCS-UHFFFAOYSA-N -1 0 326.396 3.476 20 30 EGEDRM CC(C)(C)n1ncc2c1nc(N=NC1CCC13CCCC3)[n-]c2=O ZINC000788715986 1306002169 /nfs/dbraw/zinc/00/21/69/1306002169.db2.gz ZEXYZCWACDMLKB-UHFFFAOYSA-N -1 0 328.420 3.409 20 30 EGEDRM Cc1nnc(N=NC[C@@H](C)c2ccc(C(F)(F)F)cc2)[n-]c1=O ZINC000788967623 1306052473 /nfs/dbraw/zinc/05/24/73/1306052473.db2.gz QHFUEDVVTMGTDN-MRVPVSSYSA-N -1 0 325.294 3.106 20 30 EGEDRM COc1ncc(C(=O)/C=C/c2cc([O-])ccc2[N+](=O)[O-])cc1Cl ZINC000789158457 1306101619 /nfs/dbraw/zinc/10/16/19/1306101619.db2.gz WTGKRCIEHUPMCF-GORDUTHDSA-N -1 0 334.715 3.254 20 30 EGEDRM COCCN(CCC#N)Cc1cc(Cl)cc(Br)c1[O-] ZINC000894002985 1306172440 /nfs/dbraw/zinc/17/24/40/1306172440.db2.gz BOWBGAILKBCZJA-UHFFFAOYSA-N -1 0 347.640 3.170 20 30 EGEDRM CCc1c(C)sc([N-]S(=O)(=O)c2cc(C)ns2)c1C#N ZINC000906073577 1318034232 /nfs/dbraw/zinc/03/42/32/1318034232.db2.gz PMSXWUAZAISVQE-UHFFFAOYSA-N -1 0 327.456 3.056 20 30 EGEDRM CC[C@H](NN=Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)[O-] ZINC000793056575 1309288249 /nfs/dbraw/zinc/28/82/49/1309288249.db2.gz GXGHPYTXXAIHBN-SFHVURJKSA-N -1 0 348.406 3.326 20 30 EGEDRM CC[C@@H](NN=C(COCc1ccccc1)c1ccc(F)cc1)C(=O)[O-] ZINC000793056536 1309288279 /nfs/dbraw/zinc/28/82/79/1309288279.db2.gz VKMJNNGAAKWXLX-QGZVFWFLSA-N -1 0 344.386 3.199 20 30 EGEDRM CC[C@H](NN=C1CCSc2ccc(Br)cc21)C(=O)[O-] ZINC000793058618 1309288489 /nfs/dbraw/zinc/28/84/89/1309288489.db2.gz XCVIEKTWIBUKOU-JTQLQIEISA-N -1 0 343.246 3.102 20 30 EGEDRM CC[C@H](NN=C1CCc2c1cc(Br)cc2Cl)C(=O)[O-] ZINC000793073266 1309290265 /nfs/dbraw/zinc/29/02/65/1309290265.db2.gz ZURCDYYENNHRQQ-NSHDSACASA-N -1 0 345.624 3.206 20 30 EGEDRM CC[C@H](NN=Cc1ccc(Oc2cccc([N+](=O)[O-])c2)cc1)C(=O)[O-] ZINC000793080917 1309293054 /nfs/dbraw/zinc/29/30/54/1309293054.db2.gz DUDSTJRANQWULC-INIZCTEOSA-N -1 0 343.339 3.174 20 30 EGEDRM CCCCCCCCCC(=O)[N-]S(=O)(=O)Cc1ccccn1 ZINC000793312957 1309345358 /nfs/dbraw/zinc/34/53/58/1309345358.db2.gz BTQVRPKDURODAO-UHFFFAOYSA-N -1 0 326.462 3.168 20 30 EGEDRM COC(=O)c1csc(C(=O)/C=C/c2ccc([N+](=O)[O-])c([O-])c2)c1 ZINC000794723496 1309581577 /nfs/dbraw/zinc/58/15/77/1309581577.db2.gz GOMAKNMCFKJNGJ-HWKANZROSA-N -1 0 333.321 3.045 20 30 EGEDRM COC(=O)c1csc(C(=O)/C=C\c2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000794723456 1309582013 /nfs/dbraw/zinc/58/20/13/1309582013.db2.gz FLEZGZFFYGTTLC-DJWKRKHSSA-N -1 0 333.321 3.045 20 30 EGEDRM C[C@H](Oc1cccc(C(=O)/C=C/c2c(F)ccc(O)c2F)c1)C(=O)[O-] ZINC000794935781 1309626070 /nfs/dbraw/zinc/62/60/70/1309626070.db2.gz UKRACRUUASMYCF-STUBTGCMSA-N -1 0 348.301 3.418 20 30 EGEDRM N#CC[C@H](CC(=O)[N-]S(=O)(=O)CC1CCCCC1)c1ccccc1 ZINC000796674521 1310060671 /nfs/dbraw/zinc/06/06/71/1310060671.db2.gz SMCIKZQYXKLDIN-QGZVFWFLSA-N -1 0 348.468 3.100 20 30 EGEDRM N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)=C([O-])c1ccc(C#N)o1 ZINC000796744382 1310077976 /nfs/dbraw/zinc/07/79/76/1310077976.db2.gz IQEBZJPULVDIDU-GFCCVEGCSA-N -1 0 348.145 3.419 20 30 EGEDRM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1cncs1 ZINC000796748038 1310079117 /nfs/dbraw/zinc/07/91/17/1310079117.db2.gz NXEQBOGBTLYKFR-ZDUSSCGKSA-N -1 0 327.409 3.229 20 30 EGEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1ccc(C(F)(F)F)s1 ZINC000796803136 1310090770 /nfs/dbraw/zinc/09/07/70/1310090770.db2.gz PHWXZECLQUSTTJ-VIFPVBQESA-N -1 0 330.331 3.148 20 30 EGEDRM Cc1nc(C(C)C)oc1C([O-])=C(C#N)C(=O)NCc1cccc(C)c1 ZINC000797141870 1310147122 /nfs/dbraw/zinc/14/71/22/1310147122.db2.gz KNRUJERVCQWEMC-OAHLLOKOSA-N -1 0 339.395 3.054 20 30 EGEDRM C=CCOC[C@H](NC(=O)Nc1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000797733848 1310239333 /nfs/dbraw/zinc/23/93/33/1310239333.db2.gz BMALPBIHHYALGA-KRWDZBQOSA-N -1 0 340.379 3.131 20 30 EGEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1cc(C#N)oc1C)c1ccccc1 ZINC000797961249 1310276010 /nfs/dbraw/zinc/27/60/10/1310276010.db2.gz HSHTWUWVRNPHFA-DLBZAZTESA-N -1 0 335.363 3.050 20 30 EGEDRM C=CC[C@@H](CC)NC(=O)c1cc2ccccc2cc1[N-]S(C)(=O)=O ZINC000798551116 1310387203 /nfs/dbraw/zinc/38/72/03/1310387203.db2.gz MGXKNQCCXLFVTL-OAHLLOKOSA-N -1 0 346.452 3.296 20 30 EGEDRM CCOC(=O)Oc1ccc(C([O-])=C(C#N)c2nc(C)cs2)cc1 ZINC000800382106 1310745782 /nfs/dbraw/zinc/74/57/82/1310745782.db2.gz AIIRRJXCZHUOSY-ZDUSSCGKSA-N -1 0 330.365 3.477 20 30 EGEDRM N#C[C@H](OC(=O)c1nn(-c2ccccc2F)cc1[O-])C1CCCCC1 ZINC000801380160 1310921057 /nfs/dbraw/zinc/92/10/57/1310921057.db2.gz RFMUCUYLBAYLCV-INIZCTEOSA-N -1 0 343.358 3.346 20 30 EGEDRM Cc1oc(/C=C\C(=O)c2ccc(N3CCOCC3)cc2)cc1C(=O)[O-] ZINC000899337691 1316995353 /nfs/dbraw/zinc/99/53/53/1316995353.db2.gz DXHCQSLWEIAWTJ-SREVYHEPSA-N -1 0 341.363 3.019 20 30 EGEDRM CCn1nc(C)c(C(=O)/C=C/c2cc(C(=O)[O-])ccc2OC)c1C ZINC000899350716 1316998568 /nfs/dbraw/zinc/99/85/68/1316998568.db2.gz NPHMWWBWVCCVPW-SOFGYWHQSA-N -1 0 328.368 3.123 20 30 EGEDRM Cc1nn(-c2ccccn2)c(C)c1C=NNc1cccc(C(=O)[O-])c1 ZINC000802703468 1317026553 /nfs/dbraw/zinc/02/65/53/1317026553.db2.gz FOVKMZAPTQJTKU-UHFFFAOYSA-N -1 0 335.367 3.028 20 30 EGEDRM C=C(C)COc1cccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C(=O)[O-])c1 ZINC000899767915 1317151152 /nfs/dbraw/zinc/15/11/52/1317151152.db2.gz VMSCZDUWDXVWSC-BAGFXWCHSA-N -1 0 341.407 3.493 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(OC)c(OC)c1C ZINC000805852079 1317431685 /nfs/dbraw/zinc/43/16/85/1317431685.db2.gz SYCSALHZXRZASP-OAHLLOKOSA-N -1 0 346.427 3.031 20 30 EGEDRM Cn1ncc(C(=O)[O-])c1/C=C/C(=O)c1ccc(OC(C)(C)C)cc1 ZINC000901492072 1317435853 /nfs/dbraw/zinc/43/58/53/1317435853.db2.gz YJFKSQKFEIMLIR-MDZDMXLPSA-N -1 0 328.368 3.192 20 30 EGEDRM Cc1c2ccc(F)cc2sc1C([O-])=C(C#N)C(=O)c1nccn1C ZINC000805898144 1317436381 /nfs/dbraw/zinc/43/63/81/1317436381.db2.gz AVCAZIYRNUQQGG-LBPRGKRZSA-N -1 0 341.367 3.288 20 30 EGEDRM CCCCCCCC(=O)[N-]S(=O)(=O)Cc1ccccc1COC ZINC000806092022 1317459959 /nfs/dbraw/zinc/45/99/59/1317459959.db2.gz RIBGOSALYCUORA-UHFFFAOYSA-N -1 0 341.473 3.140 20 30 EGEDRM Cn1cnc2cc(/C=C3\C[C@H](C(=O)[O-])c4ccccc4C3=O)ccc21 ZINC000806560837 1317501885 /nfs/dbraw/zinc/50/18/85/1317501885.db2.gz PCFFYMCOTWXCCS-OIQJVACTSA-N -1 0 332.359 3.412 20 30 EGEDRM CCOC(=O)c1ccc(/C=C2\C[C@@H](C(=O)[O-])c3ccccc3C2=O)o1 ZINC000806563227 1317502677 /nfs/dbraw/zinc/50/26/77/1317502677.db2.gz UCKRXYVVIJHYGG-SLZMIMFISA-N -1 0 340.331 3.295 20 30 EGEDRM CCO[C@H]1CC(N=Nc2ccc(Cl)c(C(=O)[O-])c2)[C@H]1SC ZINC000807943432 1317602994 /nfs/dbraw/zinc/60/29/94/1317602994.db2.gz GAPOZHXBGCJFQJ-QWHCGFSZSA-N -1 0 328.821 3.347 20 30 EGEDRM Cc1occc1-c1nnc(SCC(=O)[O-])n1N=CCCC1CC1 ZINC000807958331 1317604509 /nfs/dbraw/zinc/60/45/09/1317604509.db2.gz UCCRYVXRVTYNET-UHFFFAOYSA-N -1 0 334.401 3.047 20 30 EGEDRM CC(C)(C)c1[n-]n(CCc2ccc([N+](=O)[O-])cc2)c(=O)c1CCC#N ZINC000808259559 1317653311 /nfs/dbraw/zinc/65/33/11/1317653311.db2.gz USDAGJKSAXPXRP-UHFFFAOYSA-N -1 0 342.399 3.493 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)[C@H]2CCN(c3ccccc3Cl)C2)c1 ZINC000810467635 1318012149 /nfs/dbraw/zinc/01/21/49/1318012149.db2.gz WZPYXUVPKLOAMT-ZDUSSCGKSA-N -1 0 341.798 3.382 20 30 EGEDRM Cc1csc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3=O)c1C#N ZINC000906071921 1318033869 /nfs/dbraw/zinc/03/38/69/1318033869.db2.gz GBNGXKVQSILZMN-UHFFFAOYSA-N -1 0 346.433 3.248 20 30 EGEDRM CCc1c(C([O-])=C(C#N)C(=O)N[C@@H](CC)c2ccccc2)ccn1C ZINC000810710916 1318047448 /nfs/dbraw/zinc/04/74/48/1318047448.db2.gz WUZNIVQYHOPYHG-IRXDYDNUSA-N -1 0 337.423 3.177 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)CC2CC(c3ccccc3)C2)CC1 ZINC000810980052 1318086009 /nfs/dbraw/zinc/08/60/09/1318086009.db2.gz NSBPAFAAVOJQKD-UHFFFAOYSA-N -1 0 333.453 3.125 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1 ZINC000810986421 1318086719 /nfs/dbraw/zinc/08/67/19/1318086719.db2.gz ZBBQRVGTYBWMOM-RRFJBIMHSA-N -1 0 325.474 3.148 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2ccc(F)c3ccccc23)CC1 ZINC000810984072 1318087090 /nfs/dbraw/zinc/08/70/90/1318087090.db2.gz RBZWYIZRGXHQIQ-UHFFFAOYSA-N -1 0 333.384 3.147 20 30 EGEDRM Cc1nn(C)c(Cl)c1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813216035 1318515807 /nfs/dbraw/zinc/51/58/07/1318515807.db2.gz FERRNYUMWYBZNF-VIFPVBQESA-N -1 0 342.708 3.286 20 30 EGEDRM C=CC[C@H]1CCCN(C(=O)c2[nH]c3ccccc3c2CC(=O)[O-])C1 ZINC000909945261 1318541964 /nfs/dbraw/zinc/54/19/64/1318541964.db2.gz YVZREBKMADFSAQ-ZDUSSCGKSA-N -1 0 326.396 3.223 20 30 EGEDRM O=C([O-])c1cc(/C=C\C(=O)c2cc([N+](=O)[O-])ccc2F)ccc1O ZINC000814191818 1318694644 /nfs/dbraw/zinc/69/46/44/1318694644.db2.gz UGVCVDWHYJYGIX-KTAJNNJTSA-N -1 0 331.255 3.034 20 30 EGEDRM CC(C)(CCC(=O)[O-])C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000911151275 1318721132 /nfs/dbraw/zinc/72/11/32/1318721132.db2.gz HWMDOSYKIUJRTB-UHFFFAOYSA-N -1 0 336.391 3.311 20 30 EGEDRM CC(=NNc1ccc([N+](=O)[O-])cc1)c1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000814682883 1318799670 /nfs/dbraw/zinc/79/96/70/1318799670.db2.gz SXFNNMQMUWWLTE-GFCCVEGCSA-N -1 0 343.339 3.283 20 30 EGEDRM O=C([O-])C1(c2ccccc2)CC(N=Nc2cccc([N+](=O)[O-])c2)C1 ZINC000814694287 1318800519 /nfs/dbraw/zinc/80/05/19/1318800519.db2.gz DCAHALMCNXFRNQ-UHFFFAOYSA-N -1 0 325.324 3.179 20 30 EGEDRM CC(CCc1ccc(OCC(=O)[O-])cc1)N=Nc1ccc(Cl)nn1 ZINC000814698010 1318801222 /nfs/dbraw/zinc/80/12/22/1318801222.db2.gz MNCAYZVURCDMGH-UHFFFAOYSA-N -1 0 348.790 3.014 20 30 EGEDRM CC(=NNC(=S)Nc1ccccc1F)c1cc(C(=O)[O-])cs1 ZINC000814712647 1318801804 /nfs/dbraw/zinc/80/18/04/1318801804.db2.gz HWXXVCRPYJKPJY-UHFFFAOYSA-N -1 0 337.401 3.296 20 30 EGEDRM CC(CCc1ccc(O[C@@H](C)C(=O)[O-])cc1)N=Nc1ccccn1 ZINC000814732078 1318808319 /nfs/dbraw/zinc/80/83/19/1318808319.db2.gz WMFKBVHGXDSVLW-AWEZNQCLSA-N -1 0 327.384 3.354 20 30 EGEDRM CC(N=Nc1cncc(Cl)n1)c1cccc(OCCCC(=O)[O-])c1 ZINC000814797369 1318819808 /nfs/dbraw/zinc/81/98/08/1318819808.db2.gz HKVXHTJGKZFKQX-UHFFFAOYSA-N -1 0 348.790 3.210 20 30 EGEDRM CC(CCCCCCC(=O)[O-])N=Nc1nc(-c2ccncc2)no1 ZINC000814827526 1318826018 /nfs/dbraw/zinc/82/60/18/1318826018.db2.gz NNUIGPPHWVCKHI-UHFFFAOYSA-N -1 0 331.376 3.345 20 30 EGEDRM C[C@H](CCc1ccc2c(c1)OCO2)NN=C1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000814924517 1318849949 /nfs/dbraw/zinc/84/99/49/1318849949.db2.gz PTKNEOLCNLYTBX-XJKCOSOUSA-N -1 0 346.427 3.203 20 30 EGEDRM C[C@H](CCc1ccc2c(c1)OCO2)NN=C1CC[C@H](C(=O)[O-])C[C@@H]1C ZINC000814924270 1318850052 /nfs/dbraw/zinc/85/00/52/1318850052.db2.gz JBBBLSNAVMQMLE-GUTXKFCHSA-N -1 0 346.427 3.203 20 30 EGEDRM C[C@@H]1C(=NNCc2ccccc2N(C)C)CC[C@H](C(=O)[O-])C1(C)C ZINC000814926188 1318852244 /nfs/dbraw/zinc/85/22/44/1318852244.db2.gz SQQBZPJVVGKALI-UKRRQHHQSA-N -1 0 331.460 3.355 20 30 EGEDRM CCc1ccc(CC(Cc2ccc(Cl)cc2)=NNCC(=O)[O-])nc1 ZINC000814960048 1318860761 /nfs/dbraw/zinc/86/07/61/1318860761.db2.gz JJENXCBUGJZSPV-UHFFFAOYSA-N -1 0 345.830 3.113 20 30 EGEDRM O=C([O-])CNN=Cc1ccc(Oc2cccc(Br)c2)cc1 ZINC000814960133 1318860800 /nfs/dbraw/zinc/86/08/00/1318860800.db2.gz LJFKZFGEDLVHSZ-UHFFFAOYSA-N -1 0 349.184 3.250 20 30 EGEDRM Cc1nnc(NN=Cc2ccc(-c3ccccc3F)s2)[n-]c1=O ZINC000912791419 1318932336 /nfs/dbraw/zinc/93/23/36/1318932336.db2.gz NMVGEIUNKBSONJ-UHFFFAOYSA-N -1 0 329.360 3.199 20 30 EGEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N\C[C@H]2Cc3ccccc3O2)c1[O-] ZINC000914701261 1319365797 /nfs/dbraw/zinc/36/57/97/1319365797.db2.gz CNLVPXSKICIFHJ-KURMNSRBSA-N -1 0 332.743 3.376 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])c(C=NNc2ccc(C(F)(F)F)cn2)c1 ZINC000915917440 1319560371 /nfs/dbraw/zinc/56/03/71/1319560371.db2.gz ARBZLCDHOMOMJK-UHFFFAOYSA-N -1 0 326.234 3.160 20 30 EGEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2cc3ccccc3o2)cc1 ZINC000917036679 1319742046 /nfs/dbraw/zinc/74/20/46/1319742046.db2.gz KMDMABIXXBVMIS-MRXNPFEDSA-N -1 0 348.358 3.080 20 30 EGEDRM CC(CCc1ccc(OCC(=O)[O-])cc1)=NN[C@@H](C)c1ccncc1 ZINC000819817951 1319789843 /nfs/dbraw/zinc/78/98/43/1319789843.db2.gz IDIFIWWMTNXDSG-HNNXBMFYSA-N -1 0 341.411 3.204 20 30 EGEDRM CC(=NNc1[n-]cnc2ncnc1-2)c1ccc(OC(F)(F)F)cc1 ZINC000917556248 1319835991 /nfs/dbraw/zinc/83/59/91/1319835991.db2.gz YKWVMVARYKAAJV-UHFFFAOYSA-N -1 0 336.277 3.088 20 30 EGEDRM C=CCC(CC=C)C(=O)[N-]S(=O)(=O)CCc1ccc(Cl)cc1 ZINC000821550098 1320020707 /nfs/dbraw/zinc/02/07/07/1320020707.db2.gz PAMJAHQMJPTRCO-UHFFFAOYSA-N -1 0 341.860 3.097 20 30 EGEDRM C=CCC1(C(=O)[N-]S(=O)(=O)c2c(F)cc(C)cc2F)CCCC1 ZINC000821992789 1320045950 /nfs/dbraw/zinc/04/59/50/1320045950.db2.gz LKBBDAGBOOFSIJ-UHFFFAOYSA-N -1 0 343.395 3.215 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)N2CCc3sccc3[C@@H]2C)cc1C#N ZINC000822382881 1320078006 /nfs/dbraw/zinc/07/80/06/1320078006.db2.gz QTNAQDSWQDLFJL-VIFPVBQESA-N -1 0 345.449 3.202 20 30 EGEDRM C=CCC[C@@H](NC(=O)/C=C\c1ccccc1OC(F)(F)F)C(=O)[O-] ZINC000823368938 1320172654 /nfs/dbraw/zinc/17/26/54/1320172654.db2.gz DZWVUHSVLWLGQP-ZWLSGLHFSA-N -1 0 343.301 3.134 20 30 EGEDRM O=C([N-][C@@H](CCO)c1cccc(C(F)(F)F)c1)C(F)(F)C(F)F ZINC000836795088 1320535558 /nfs/dbraw/zinc/53/55/58/1320535558.db2.gz KCRQRXGVKQFQDJ-VIFPVBQESA-N -1 0 347.230 3.146 20 30 EGEDRM C=CCO[N-]C(=O)COc1ccc(C2SCCCS2)cc1 ZINC000837045050 1320568926 /nfs/dbraw/zinc/56/89/26/1320568926.db2.gz VSZJXOICHHLWBX-UHFFFAOYSA-N -1 0 325.455 3.168 20 30 EGEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)[C@H](C)C1CCC1 ZINC000838790051 1320817525 /nfs/dbraw/zinc/81/75/25/1320817525.db2.gz CUOIMGGEJXDSAH-QMTHXVAHSA-N -1 0 344.411 3.136 20 30 EGEDRM COC[C@@](C)(C#N)[N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl ZINC000843566890 1321528722 /nfs/dbraw/zinc/52/87/22/1321528722.db2.gz LRMPZYHRQOZOPR-GFCCVEGCSA-N -1 0 337.153 3.130 20 30 EGEDRM C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cccc(CSC(C)C)c1C ZINC000846153492 1321771905 /nfs/dbraw/zinc/77/19/05/1321771905.db2.gz HAIQFNYQXKBERJ-GFCCVEGCSA-N -1 0 336.457 3.197 20 30 EGEDRM Cc1cc(C(=O)NC(C)C)ccc1N=Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000918713611 1321981711 /nfs/dbraw/zinc/98/17/11/1321981711.db2.gz PRBYIPITPRROJQ-UHFFFAOYSA-N -1 0 341.367 3.498 20 30 EGEDRM CCCn1nccc1C(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21 ZINC000850739862 1322281168 /nfs/dbraw/zinc/28/11/68/1322281168.db2.gz OZQWTLFUSPVCHW-CQSZACIVSA-N -1 0 334.379 3.288 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccn(C)c1-c1ccccc1 ZINC000850751486 1322284766 /nfs/dbraw/zinc/28/47/66/1322284766.db2.gz CDUAGPBMDHXNEW-QGZVFWFLSA-N -1 0 337.423 3.321 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc2c(c1)C[C@H](C)O2 ZINC000850753123 1322284947 /nfs/dbraw/zinc/28/49/47/1322284947.db2.gz XRJQPCQZTHRULW-BBRMVZONSA-N -1 0 328.412 3.029 20 30 EGEDRM CCOC(=O)N1CCC(C)(CN=Nc2cccc(C(=O)[O-])c2C)CC1 ZINC000853370244 1325086661 /nfs/dbraw/zinc/08/66/61/1325086661.db2.gz HTMWUSCTZJYVIN-UHFFFAOYSA-N -1 0 347.415 3.350 20 30 EGEDRM C[C@H]1CC(=NNCc2ccc(Br)cc2)CC[C@@H]1C(=O)[O-] ZINC000853385475 1325087151 /nfs/dbraw/zinc/08/71/51/1325087151.db2.gz ZHFBIGXJVTWLIX-HZMBPMFUSA-N -1 0 339.233 3.416 20 30 EGEDRM C=CCCO[N-]C(=O)C(C)(C)Oc1ccc(Br)cc1 ZINC000856028550 1325439369 /nfs/dbraw/zinc/43/93/69/1325439369.db2.gz WGMKYUFZRAZWBZ-UHFFFAOYSA-N -1 0 328.206 3.230 20 30 EGEDRM C=CCCO[N-]C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)Cc2ccccc21 ZINC000856027617 1325439903 /nfs/dbraw/zinc/43/99/03/1325439903.db2.gz UAZMTYMDYOEFCL-MRXNPFEDSA-N -1 0 346.427 3.145 20 30 EGEDRM C=CCCO[N-]C(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1C ZINC000856035554 1325442184 /nfs/dbraw/zinc/44/21/84/1325442184.db2.gz CSUPJIZRZDIGEC-OAHLLOKOSA-N -1 0 334.416 3.185 20 30 EGEDRM C=C[C@H](C)O[N-]C(=O)C1(CNC(=O)OCc2ccccc2)CCCC1 ZINC000862132251 1329460932 /nfs/dbraw/zinc/46/09/32/1329460932.db2.gz BSOCJQHZLZLIQJ-HNNXBMFYSA-N -1 0 346.427 3.096 20 30 EGEDRM C=C[C@@H](C)O[N-]C(=O)C1(CNC(=O)OCc2ccccc2)CCCC1 ZINC000862132252 1329461029 /nfs/dbraw/zinc/46/10/29/1329461029.db2.gz BSOCJQHZLZLIQJ-OAHLLOKOSA-N -1 0 346.427 3.096 20 30 EGEDRM N#C[C@H]1CCCCN1C(=O)CCC(=O)C=C([O-])c1ccc(Cl)cc1 ZINC001184120442 1387396147 /nfs/dbraw/zinc/39/61/47/1387396147.db2.gz SUSQRYRDAXZWAQ-OAHLLOKOSA-N -1 0 346.814 3.167 20 30 EGEDRM O=C(CCC(=O)C1=CC=C[CH]1)Nc1cc(OC(F)(F)F)ccc1O ZINC001184243254 1387418501 /nfs/dbraw/zinc/41/85/01/1387418501.db2.gz AZOZUBYWHCAPLV-UHFFFAOYSA-N -1 0 340.277 3.279 20 30 EGEDRM CN1CCN(c2ccc(/C=C/C(=O)c3ccccc3[O-])cc2F)CC1 ZINC001323771628 1387446813 /nfs/dbraw/zinc/44/68/13/1387446813.db2.gz NGVYXILBYHIBOT-VQHVLOKHSA-N -1 0 340.398 3.179 20 30 EGEDRM C=C(C)CCNC(=O)N(CCC)Cc1nc(=O)c2sccc2[n-]1 ZINC001324697102 1387742005 /nfs/dbraw/zinc/74/20/05/1387742005.db2.gz ZMRQFGOIWDYYPU-UHFFFAOYSA-N -1 0 334.445 3.285 20 30 EGEDRM Cc1csc([N-]S(=O)(=O)Cc2cccc(F)c2F)c1C#N ZINC001189408509 1367013342 /nfs/dbraw/zinc/01/33/42/1367013342.db2.gz JGVFQWYBEGOEGE-UHFFFAOYSA-N -1 0 328.365 3.148 20 30 EGEDRM N#Cc1cccc(Cl)c1[N-]S(=O)(=O)Cc1cc(F)ccc1F ZINC001189688292 1367086188 /nfs/dbraw/zinc/08/61/88/1367086188.db2.gz BHSKVZKGQSSSCR-UHFFFAOYSA-N -1 0 342.754 3.432 20 30 EGEDRM Cc1nc(C#N)c(NC(=O)c2cc(Br)ccc2[S-])o1 ZINC001189951801 1367137874 /nfs/dbraw/zinc/13/78/74/1367137874.db2.gz SEYJYWSUWSNAFL-UHFFFAOYSA-N -1 0 338.186 3.158 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-][C@H](c2ccccc2OC)C(F)(F)F)CC1 ZINC001190844785 1367364970 /nfs/dbraw/zinc/36/49/70/1367364970.db2.gz HQRWSCIVOSEKAZ-CYBMUJFWSA-N -1 0 349.374 3.327 20 30 EGEDRM C#Cc1cc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)ccc1F ZINC001190970119 1367391645 /nfs/dbraw/zinc/39/16/45/1367391645.db2.gz ZOMSHCIWCNAIKS-UHFFFAOYSA-N -1 0 334.759 3.133 20 30 EGEDRM Cc1c(Cl)ccc(S(=O)(=O)[N-]c2ncccc2C#N)c1Cl ZINC001191729349 1367572443 /nfs/dbraw/zinc/57/24/43/1367572443.db2.gz UBEMVZFOQUJFCZ-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1c(C#N)cccc1OC ZINC001191821351 1367601774 /nfs/dbraw/zinc/60/17/74/1367601774.db2.gz KXPCXVUCMFXGQB-UHFFFAOYSA-N -1 0 346.408 3.075 20 30 EGEDRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2cc(C#N)ccc2C)c1 ZINC001192821334 1367882194 /nfs/dbraw/zinc/88/21/94/1367882194.db2.gz NGRAZRICHHNNDL-UHFFFAOYSA-N -1 0 330.409 3.239 20 30 EGEDRM N#Cc1cc(C(=O)N2CCC(c3[nH]nc4ccccc43)CC2)ccc1[O-] ZINC001193504359 1368046753 /nfs/dbraw/zinc/04/67/53/1368046753.db2.gz QRJZOPDOSFJEQC-UHFFFAOYSA-N -1 0 346.390 3.160 20 30 EGEDRM COc1ccc(NC(=O)c2ccc([O-])c(C#N)c2)c(Br)c1 ZINC001193506613 1368047964 /nfs/dbraw/zinc/04/79/64/1368047964.db2.gz WCAXZVMJGXLCHQ-UHFFFAOYSA-N -1 0 347.168 3.287 20 30 EGEDRM N#Cc1cc(C(=O)NCCc2c[nH]c3cccc(Cl)c23)ccc1[O-] ZINC001193519067 1368051460 /nfs/dbraw/zinc/05/14/60/1368051460.db2.gz OPBHHFOBOZNFGK-UHFFFAOYSA-N -1 0 339.782 3.371 20 30 EGEDRM N#Cc1cccc(C(=O)Nc2cncc(OCc3ccccc3)c2)c1[O-] ZINC001193642601 1368081389 /nfs/dbraw/zinc/08/13/89/1368081389.db2.gz JVQZQHPDTKKXQT-UHFFFAOYSA-N -1 0 345.358 3.490 20 30 EGEDRM CCOC(=O)Nc1ccc(NC(=O)c2cccc(C#N)c2[O-])cc1 ZINC001193652731 1368086072 /nfs/dbraw/zinc/08/60/72/1368086072.db2.gz NFSDBYKXIHECEE-UHFFFAOYSA-N -1 0 325.324 3.085 20 30 EGEDRM CC(C)(C)OC(=O)c1ccccc1NC(=O)c1cccc(C#N)c1[O-] ZINC001193653398 1368086258 /nfs/dbraw/zinc/08/62/58/1368086258.db2.gz YMMAQQRNBHTENO-UHFFFAOYSA-N -1 0 338.363 3.471 20 30 EGEDRM Cc1noc([N-]S(=O)(=O)c2ccc(C)c3ccccc32)c1C#N ZINC001193824467 1368123989 /nfs/dbraw/zinc/12/39/89/1368123989.db2.gz KCGKZBKYVSMYIG-UHFFFAOYSA-N -1 0 327.365 3.117 20 30 EGEDRM CCCCCCCOC(=O)Nc1ccc(OC)cc1S(=O)(=O)[O-] ZINC001194009153 1368165657 /nfs/dbraw/zinc/16/56/57/1368165657.db2.gz PIVBBTRJWCJNPO-UHFFFAOYSA-N -1 0 345.417 3.461 20 30 EGEDRM Cc1csc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)c1C#N ZINC001194254365 1368218168 /nfs/dbraw/zinc/21/81/68/1368218168.db2.gz QKLSLKKVZVXCES-UHFFFAOYSA-N -1 0 347.343 3.143 20 30 EGEDRM N#CCc1cc(NC(=O)c2c([O-])c(F)c(F)c(F)c2F)ccc1F ZINC001195302263 1368417213 /nfs/dbraw/zinc/41/72/13/1368417213.db2.gz CASFGVUWHIZXBD-UHFFFAOYSA-N -1 0 342.223 3.406 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2cncc(OCc3ccccc3)c2)c([O-])c1 ZINC001195741187 1368481280 /nfs/dbraw/zinc/48/12/80/1368481280.db2.gz QJWORWHFCQAPBW-UHFFFAOYSA-N -1 0 345.358 3.490 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2c(C#N)cccc2C(F)(F)F)c([O-])c1 ZINC001195757580 1368483511 /nfs/dbraw/zinc/48/35/11/1368483511.db2.gz DWVZXPHAMSEWPP-UHFFFAOYSA-N -1 0 331.253 3.407 20 30 EGEDRM N#Cc1cc(Cl)c(Cl)cc1[N-]S(=O)(=O)c1ccc(O)cc1 ZINC001195810864 1368495680 /nfs/dbraw/zinc/49/56/80/1368495680.db2.gz NWQAMXFMQFOYBX-UHFFFAOYSA-N -1 0 343.191 3.371 20 30 EGEDRM CC(C)(C#N)c1cccc([N-]S(=O)(=O)c2ccc(Cl)cn2)c1 ZINC001196245360 1368575393 /nfs/dbraw/zinc/57/53/93/1368575393.db2.gz WQYKOEPLSKGZFQ-UHFFFAOYSA-N -1 0 335.816 3.337 20 30 EGEDRM N#Cc1cccc(-c2cc([O-])cc(C(=O)Nc3cccc(C#N)n3)c2)c1 ZINC001196309265 1368586410 /nfs/dbraw/zinc/58/64/10/1368586410.db2.gz SKVSIOOWJTZQTK-UHFFFAOYSA-N -1 0 340.342 3.450 20 30 EGEDRM CCCCCCCC(=O)c1ccc([O-])c(C(=O)NC2=CCOC2=O)c1 ZINC001197364956 1368799728 /nfs/dbraw/zinc/79/97/28/1368799728.db2.gz FXSRCHHVLHMQOJ-UHFFFAOYSA-N -1 0 345.395 3.106 20 30 EGEDRM Cc1noc(C(F)(F)F)c1C(=O)[N-]c1c(C#N)ccc(F)c1F ZINC001197599131 1368851255 /nfs/dbraw/zinc/85/12/55/1368851255.db2.gz PNWXIGUSRWXTGA-UHFFFAOYSA-N -1 0 331.200 3.404 20 30 EGEDRM Cc1ccnc(S(=O)(=O)[N-]c2c(C#N)cccc2C(F)(F)F)c1 ZINC001198004830 1368939910 /nfs/dbraw/zinc/93/99/10/1368939910.db2.gz WJWYSOOAHFDZGV-UHFFFAOYSA-N -1 0 341.314 3.081 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2C(F)(F)F)cn1 ZINC001198317543 1369008069 /nfs/dbraw/zinc/00/80/69/1369008069.db2.gz MFZGDHPBRVIBES-UHFFFAOYSA-N -1 0 341.314 3.081 20 30 EGEDRM CC(C)(C)n1ncc(C#N)c1[N-]S(=O)(=O)c1ccc2occc2c1 ZINC001198817411 1369120193 /nfs/dbraw/zinc/12/01/93/1369120193.db2.gz DBWGGCAEDKNLOO-UHFFFAOYSA-N -1 0 344.396 3.057 20 30 EGEDRM Cc1nn(-c2ccccc2)cc1C(=O)Nc1cc(C#N)c(F)cc1[O-] ZINC001199205874 1369190638 /nfs/dbraw/zinc/19/06/38/1369190638.db2.gz XTOYUWJHUNGLOX-UHFFFAOYSA-N -1 0 336.326 3.149 20 30 EGEDRM N#Cc1oc2ccccc2c1[N-]C(=O)c1nccc(OC2CCC2)n1 ZINC001199630109 1369246910 /nfs/dbraw/zinc/24/69/10/1369246910.db2.gz TZKXYCRJOLVUJM-UHFFFAOYSA-N -1 0 334.335 3.278 20 30 EGEDRM COc1cc(S(=O)(=O)[N-]c2c(Cl)cccc2C#N)ccc1F ZINC001200509781 1369383638 /nfs/dbraw/zinc/38/36/38/1369383638.db2.gz NBAUWCSZYGIHIX-UHFFFAOYSA-N -1 0 340.763 3.160 20 30 EGEDRM N#Cc1cccc([N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2F)n1 ZINC001201252440 1369505042 /nfs/dbraw/zinc/50/50/42/1369505042.db2.gz XTEOKYANGPZDIK-UHFFFAOYSA-N -1 0 346.170 3.200 20 30 EGEDRM N#Cc1cc2cccnc2nc1Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001203316516 1370079615 /nfs/dbraw/zinc/07/96/15/1370079615.db2.gz QHKBFFFGOIWPKN-UHFFFAOYSA-N -1 0 326.262 3.221 20 30 EGEDRM O=C(CCc1nc(-c2ccc(-n3ccnc3)cc2)no1)C1=CC=C[CH]1 ZINC001204642921 1370535628 /nfs/dbraw/zinc/53/56/28/1370535628.db2.gz JIYKRAXNAGSSNF-UHFFFAOYSA-N -1 0 331.355 3.124 20 30 EGEDRM C=C[C@@H](C)O[N-]C(=O)[C@H](NC(=O)OC(C)(C)C)C1CCCCC1 ZINC001118270936 1371155135 /nfs/dbraw/zinc/15/51/35/1371155135.db2.gz GHBLCVFMRRUCOU-TZMCWYRMSA-N -1 0 326.437 3.082 20 30 EGEDRM N#Cc1cc(-c2ccccc2)oc1[N-]S(=O)(=O)c1nccs1 ZINC001187853551 1388177516 /nfs/dbraw/zinc/17/75/16/1388177516.db2.gz PPOPYXFDNPWQHN-UHFFFAOYSA-N -1 0 331.378 3.076 20 30 EGEDRM CC(C)c1ncc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)s1 ZINC001122499699 1372261024 /nfs/dbraw/zinc/26/10/24/1372261024.db2.gz JVQJCBRLMFDBPD-NSHDSACASA-N -1 0 337.408 3.282 20 30 EGEDRM Cc1ccc(-c2nc(C)c(C([O-])=C(C#N)c3nccn3C)s2)o1 ZINC001122517463 1372265502 /nfs/dbraw/zinc/26/55/02/1372265502.db2.gz BVWZEDIBJVFAKK-NSHDSACASA-N -1 0 326.381 3.244 20 30 EGEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1csc(-c2ccco2)n1 ZINC001122624803 1372286417 /nfs/dbraw/zinc/28/64/17/1372286417.db2.gz IOHTUVOSDOFDJT-GFCCVEGCSA-N -1 0 343.408 3.174 20 30 EGEDRM N#CC(=C([O-])c1nn(-c2ccccc2)c2c1CCC2)c1cccc(F)n1 ZINC001122631588 1372287997 /nfs/dbraw/zinc/28/79/97/1372287997.db2.gz GWMOCTDLFVOAAS-OAHLLOKOSA-N -1 0 346.365 3.385 20 30 EGEDRM Cc1cc(Nc2cccc3cc(S(=O)(=O)[O-])ccc32)cnc1C#N ZINC001210209763 1372295390 /nfs/dbraw/zinc/29/53/90/1372295390.db2.gz WUGCIARPUQOXOW-UHFFFAOYSA-N -1 0 339.376 3.405 20 30 EGEDRM N#Cc1cc(Nc2ccc3ccccc3c2S(=O)(=O)[O-])ccc1N ZINC001213441005 1372906861 /nfs/dbraw/zinc/90/68/61/1372906861.db2.gz BIMKGWBTHWUZFU-UHFFFAOYSA-N -1 0 339.376 3.284 20 30 EGEDRM N#Cc1cnn(-c2ccccn2)c1Nc1c(Cl)ccc([O-])c1F ZINC001214556428 1373079848 /nfs/dbraw/zinc/07/98/48/1373079848.db2.gz RZZQZIRDKVYVST-UHFFFAOYSA-N -1 0 329.722 3.381 20 30 EGEDRM N#Cc1ccc(Nc2cnc(F)c(C(=O)[O-])c2)c(OC(F)(F)F)c1 ZINC001215109540 1373171668 /nfs/dbraw/zinc/17/16/68/1373171668.db2.gz HCJIBWHFYYJRSX-UHFFFAOYSA-N -1 0 341.220 3.433 20 30 EGEDRM N#Cc1ccc(-c2noc(-c3ccc(Br)cc3[O-])n2)nc1 ZINC001215657017 1373225973 /nfs/dbraw/zinc/22/59/73/1373225973.db2.gz GPPDUVASPDUQSG-UHFFFAOYSA-N -1 0 343.140 3.138 20 30 EGEDRM N#Cc1cc(-c2nc(-c3cnccc3C(F)(F)F)no2)ccc1[O-] ZINC001216969730 1373373262 /nfs/dbraw/zinc/37/32/62/1373373262.db2.gz OTMQHUVWKDVBJD-UHFFFAOYSA-N -1 0 332.241 3.395 20 30 EGEDRM CCOc1cc(-c2noc(-c3ccc(C#N)cc3[O-])n2)ccc1OC ZINC001217038784 1373381293 /nfs/dbraw/zinc/38/12/93/1373381293.db2.gz GWKRUWOFMAREHF-UHFFFAOYSA-N -1 0 337.335 3.388 20 30 EGEDRM N#Cc1ccc(-c2nc(-c3cccc(-c4ccccn4)n3)no2)c([O-])c1 ZINC001217038990 1373381766 /nfs/dbraw/zinc/38/17/66/1373381766.db2.gz MTSIWTCPYQZMDP-UHFFFAOYSA-N -1 0 341.330 3.438 20 30 EGEDRM Cc1ccccc1-c1noc(-c2cc(=O)c3cc(C#N)ccc3[n-]2)n1 ZINC001217502591 1373455839 /nfs/dbraw/zinc/45/58/39/1373455839.db2.gz PFZMQWUPAJSVDT-UHFFFAOYSA-N -1 0 328.331 3.425 20 30 EGEDRM COc1cccc(-c2noc(-c3cc(=O)c4cc(C#N)ccc4[n-]3)n2)c1 ZINC001217502559 1373456142 /nfs/dbraw/zinc/45/61/42/1373456142.db2.gz NMKOLNILEUPKTI-UHFFFAOYSA-N -1 0 344.330 3.125 20 30 EGEDRM [O-]/N=C(\Cl)c1ccccc1C(F)(F)O[C@H]1CCNCC1(F)F ZINC001217781290 1373499940 /nfs/dbraw/zinc/49/99/40/1373499940.db2.gz HZAJRQSSYLMHMZ-XLUTVVKMSA-N -1 0 340.704 3.124 20 30 EGEDRM N#Cc1ccc(NC(=O)c2ccc([O-])c(C(F)(F)F)c2)c(C#N)c1 ZINC001188588480 1388337211 /nfs/dbraw/zinc/33/72/11/1388337211.db2.gz DCWYTIMYWJXUPC-UHFFFAOYSA-N -1 0 331.253 3.407 20 30 EGEDRM C=C[C@@]1(C)CC[C@H](Oc2[nH]c(=O)ncc2C(F)(F)F)C(C)(C)O1 ZINC001225576845 1375126428 /nfs/dbraw/zinc/12/64/28/1375126428.db2.gz NOXATGVOSUVYPY-HZMBPMFUSA-N -1 0 332.322 3.482 20 30 EGEDRM C=C[C@]1(C)CC[C@H](Oc2nc(C(F)(F)F)cc(=O)[n-]2)C(C)(C)O1 ZINC001225977095 1375183323 /nfs/dbraw/zinc/18/33/23/1375183323.db2.gz FSVQSMIMRGNGFV-IINYFYTJSA-N -1 0 332.322 3.482 20 30 EGEDRM C=C[C@H](C#CC#CC/C=C\CCCCCCC)Oc1c([O-])c(=O)c1=O ZINC001226605648 1375290582 /nfs/dbraw/zinc/29/05/82/1375290582.db2.gz JHKNMVALSGQHDW-QXPKXGMISA-N -1 0 340.419 3.235 20 30 EGEDRM C=C[C@@]1(C)CC[C@H](C(C)(C)Oc2ccc(-n3nn[n-]c3=S)cc2)O1 ZINC001228438763 1375572058 /nfs/dbraw/zinc/57/20/58/1375572058.db2.gz OVYODPQPXUKRDD-PBHICJAKSA-N -1 0 346.456 3.232 20 30 EGEDRM N#Cc1ccc(=O)[n-]c1O[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC001228902000 1375710408 /nfs/dbraw/zinc/71/04/08/1375710408.db2.gz ONKSZWYOLKYJFH-GFCCVEGCSA-N -1 0 339.229 3.249 20 30 EGEDRM COc1ccccc1OC[C@H](C)Oc1ccc(/C=N/O)cc1OC ZINC001233802515 1376719892 /nfs/dbraw/zinc/71/98/92/1376719892.db2.gz HBDLTOKCMBPBAF-MDBUFAAASA-N -1 0 331.368 3.358 20 30 EGEDRM CSc1nc(-c2ccccc2)nc(-c2cncc(C(=O)[O-])c2)c1C#N ZINC001241800193 1377020653 /nfs/dbraw/zinc/02/06/53/1377020653.db2.gz NESIHGBFCGUHOG-UHFFFAOYSA-N -1 0 348.387 3.497 20 30 EGEDRM COc1cccc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2C#N)c1 ZINC001259189322 1377121709 /nfs/dbraw/zinc/12/17/09/1377121709.db2.gz TYFZJOINWKOOHH-UHFFFAOYSA-N -1 0 330.409 3.491 20 30 EGEDRM COc1cccc(NC(=O)c2c([O-])c(C)nc3ccccc32)c1C#N ZINC001149198181 1379345192 /nfs/dbraw/zinc/34/51/92/1379345192.db2.gz SMRFFVZVDLABQI-UHFFFAOYSA-N -1 0 333.347 3.381 20 30 EGEDRM Cc1cc2ccc(NC(=O)c3cc(=O)c4cc(C#N)ccc4[n-]3)cc2[nH]1 ZINC001154558134 1380305541 /nfs/dbraw/zinc/30/55/41/1380305541.db2.gz ZBFXUIMBAYREAW-UHFFFAOYSA-N -1 0 342.358 3.442 20 30 EGEDRM Cc1c(F)ccc2nc(Cl)c(C#N)c(NCC(=O)CCC(=O)[O-])c12 ZINC001160879643 1382223006 /nfs/dbraw/zinc/22/30/06/1382223006.db2.gz UDPPLDBGCXMVME-UHFFFAOYSA-N -1 0 349.749 3.053 20 30 EGEDRM Nc1nc(=O)c2ccccc2n1-c1cc(/C=N/[O-])cc(C(F)(F)F)c1 ZINC001162896754 1382908033 /nfs/dbraw/zinc/90/80/33/1382908033.db2.gz PVHJSLWGOZPKJQ-ODCIPOBUSA-N -1 0 348.284 3.037 20 30 EGEDRM C=C[C@H](C)O[N-]C(=O)COc1ccc(Cl)cc1Br ZINC001328833682 1388883406 /nfs/dbraw/zinc/88/34/06/1388883406.db2.gz WFCJOGMJZWFRPU-QMMMGPOBSA-N -1 0 334.597 3.104 20 30 EGEDRM COc1cc(Nc2cc(Br)cnc2C#N)ccc1C(=O)[O-] ZINC001174680962 1385133547 /nfs/dbraw/zinc/13/35/47/1385133547.db2.gz GITBODJWBUEELC-UHFFFAOYSA-N -1 0 348.156 3.166 20 30 EGEDRM COC(=O)c1cc(C#N)cc(C)c1Nc1ccc(F)c(C(=O)[O-])c1 ZINC001175221226 1385223821 /nfs/dbraw/zinc/22/38/21/1385223821.db2.gz BCHPWGBIUFTVOX-UHFFFAOYSA-N -1 0 328.299 3.234 20 30 EGEDRM CN=c1scc(-c2ccc(O)cc2O)n1N=Cc1cccc(C)c1 ZINC001317756946 1385446287 /nfs/dbraw/zinc/44/62/87/1385446287.db2.gz YVHWZARSKVLOTP-UHFFFAOYSA-N -1 0 339.420 3.349 20 30 EGEDRM C=CCn1cc(Nc2ccc3c(cccc3S(=O)(=O)[O-])c2)cn1 ZINC001176548682 1385621832 /nfs/dbraw/zinc/62/18/32/1385621832.db2.gz NXOIVDKFEFYWJD-UHFFFAOYSA-N -1 0 329.381 3.213 20 30 EGEDRM COc1cc(C#N)c(Nc2ccc(C3(C(=O)[O-])CC3)cc2)cc1OC ZINC001176587037 1385633305 /nfs/dbraw/zinc/63/33/05/1385633305.db2.gz QBGPRUVIFAXOAI-UHFFFAOYSA-N -1 0 338.363 3.435 20 30 EGEDRM O=C([O-])Cc1ccc(C(=O)/C=C/c2cccc(Br)n2)cc1 ZINC001320126739 1386526283 /nfs/dbraw/zinc/52/62/83/1386526283.db2.gz DFRDZIHKLLUHJQ-CMDGGOBGSA-N -1 0 346.180 3.367 20 30 EGEDRM CCCc1cc(C([O-])=C(C#N)c2nccn2Cc2ccccc2)n[nH]1 ZINC001343705888 1390732199 /nfs/dbraw/zinc/73/21/99/1390732199.db2.gz VUUDWHHSINJXIJ-INIZCTEOSA-N -1 0 333.395 3.097 20 30 EGEDRM CC(C)c1c(C([O-])=C(C#N)c2cccc(F)n2)cnn1-c1ccccn1 ZINC001344002465 1390749506 /nfs/dbraw/zinc/74/95/06/1390749506.db2.gz BJUJOFOWOIAVJP-ZDUSSCGKSA-N -1 0 349.369 3.415 20 30 EGEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1cnc(C2CC2)o1)c1ccccc1 ZINC001344525886 1390797441 /nfs/dbraw/zinc/79/74/41/1390797441.db2.gz GHEOSYSSUKAEQU-GJZGRUSLSA-N -1 0 337.379 3.142 20 30 EGEDRM CC(C)c1nn(C)c(Cl)c1C([O-])=C(C#N)c1ncc(Cl)n1C ZINC001344862939 1390819916 /nfs/dbraw/zinc/81/99/16/1390819916.db2.gz BZVYVASWBYLVOM-QMMMGPOBSA-N -1 0 340.214 3.074 20 30 EGEDRM C=CCCOCCCCC(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000823898803 1429269068 /nfs/dbraw/zinc/26/90/68/1429269068.db2.gz BZKFKIVSYPGIQZ-UHFFFAOYSA-N -1 0 349.822 3.222 20 30 EGEDRM CCC(CC)CN(CCC#N)Cc1cccc(-c2nn[n-]n2)c1F ZINC000825108604 1424100992 /nfs/dbraw/zinc/10/09/92/1424100992.db2.gz XVCIFHDFIKXFTP-UHFFFAOYSA-N -1 0 330.411 3.158 20 30 EGEDRM Oc1cccc(C=NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1 ZINC000738401135 1425035175 /nfs/dbraw/zinc/03/51/75/1425035175.db2.gz PACOKLZQFIUUQL-UHFFFAOYSA-N -1 0 348.288 3.037 20 30 EGEDRM Cc1ccc(C=NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)nc1 ZINC000822233244 1425709897 /nfs/dbraw/zinc/70/98/97/1425709897.db2.gz LCPDKYGNMGPYNO-UHFFFAOYSA-N -1 0 347.304 3.035 20 30 EGEDRM Cc1c(C(=O)C=Cc2cccc(C)c2C)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737391471 1426299814 /nfs/dbraw/zinc/29/98/14/1426299814.db2.gz BSCMIYAXOQUZBW-MDZDMXLPSA-N -1 0 347.422 3.436 20 30 EGEDRM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N3CCC[C@@](C)(C#N)C3)c2c1 ZINC000826263814 1426377233 /nfs/dbraw/zinc/37/72/33/1426377233.db2.gz RRQSUJWWAZALHR-IBGZPJMESA-N -1 0 347.426 3.162 20 30 EGEDRM O=C(C=Cc1cccc(OC(F)F)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000826400753 1426853006 /nfs/dbraw/zinc/85/30/06/1426853006.db2.gz HKRWDZSEVFOBOM-SNAWJCMRSA-N -1 0 348.334 3.426 20 30 EGEDRM Fc1cc(C=NNc2cccc(-c3nn[n-]n3)c2)ccc1OC(F)F ZINC000826372063 1429954654 /nfs/dbraw/zinc/95/46/54/1429954654.db2.gz FTPJPRXGHCCGEW-UHFFFAOYSA-N -1 0 348.288 3.053 20 30 EGEDRM C=C(C)C[C@H](C)C(=O)N(C)CCN(C(=O)c1ccccc1O)C(C)C ZINC001756690965 1441041451 /nfs/dbraw/zinc/04/14/51/1441041451.db2.gz BMLFMMXMAXAGDQ-INIZCTEOSA-N -1 0 346.471 3.304 20 30 EGEDRM CC(=NNCc1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000819772185 1441499739 /nfs/dbraw/zinc/49/97/39/1441499739.db2.gz AGLCIFBIRITRLK-UHFFFAOYSA-N -1 0 326.791 3.034 20 30 EGEDRM CC[N@H+](Cc1cc(-c2nnn[n-]2)cs1)[C@H](C)c1ccc(C#N)cc1 ZINC000825428287 1441544387 /nfs/dbraw/zinc/54/43/87/1441544387.db2.gz IFSRSZTYPXXUML-GFCCVEGCSA-N -1 0 338.440 3.383 20 30 EGEDRM CC(=NNc1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823962035 1441633683 /nfs/dbraw/zinc/63/36/83/1441633683.db2.gz DJFPWBSYFCCVNM-UHFFFAOYSA-N -1 0 330.754 3.495 20 30 EGEDRM C=C(C)[C@@H](CC(=O)Nc1sc(C)c(CC)c1-c1nn[n-]n1)OCC ZINC000823874410 1442484171 /nfs/dbraw/zinc/48/41/71/1442484171.db2.gz WKBIYGRSDKVJAF-GFCCVEGCSA-N -1 0 349.460 3.109 20 30 EGEDRM Clc1csc(CN=Nc2ccc(-c3nn[n-]n3)c(Cl)c2)n1 ZINC000826354278 1443460164 /nfs/dbraw/zinc/46/01/64/1443460164.db2.gz WNRIHXCLOSBCLP-UHFFFAOYSA-N -1 0 340.199 3.076 20 30 EGEDRM COCc1cccc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000826164804 1443649039 /nfs/dbraw/zinc/64/90/39/1443649039.db2.gz RACJHTPGJUYGLM-UHFFFAOYSA-N -1 0 342.790 3.113 20 30 EGEDRM CCCC[C@H](CC)CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000736439622 1444009461 /nfs/dbraw/zinc/00/94/61/1444009461.db2.gz XQOVYPZGTJFGPC-LBPRGKRZSA-N -1 0 326.404 3.283 20 30 EGEDRM N#C[C@H]1CCC[C@H]1NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000826380676 1446419310 /nfs/dbraw/zinc/41/93/10/1446419310.db2.gz JFNATPGRJKWZQI-VQIMIIECSA-N -1 0 344.422 3.316 20 30 EGEDRM Cc1c(C(=O)C=Cc2ccc(C)cc2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737329005 1446516401 /nfs/dbraw/zinc/51/64/01/1446516401.db2.gz ICTIBBUXSXAINV-MDZDMXLPSA-N -1 0 333.395 3.127 20 30 EGEDRM C=CCCCNC(=O)N[C@@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000909123572 939383166 /nfs/dbraw/zinc/38/31/66/939383166.db2.gz XOPBUHPUAJYVOZ-GFCCVEGCSA-N -1 0 330.306 3.097 20 30 EGEDRM C#CCCCCC(=O)N[C@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000911063727 939769422 /nfs/dbraw/zinc/76/94/22/939769422.db2.gz NAVPKKDVVIVASK-AWEZNQCLSA-N -1 0 327.302 3.141 20 30 EGEDRM Cc1c(C)n(C2CCCC2)c(NC(=O)CSCCC(=O)[O-])c1C#N ZINC001611118622 970895004 /nfs/dbraw/zinc/89/50/04/970895004.db2.gz CRYUVWWCGNNGPY-UHFFFAOYSA-N -1 0 349.456 3.238 20 30 EGEDRM O=C([O-])c1ccccc1CNC(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC001601224649 970958599 /nfs/dbraw/zinc/95/85/99/970958599.db2.gz YMOHVDGOYSKOOB-UHFFFAOYSA-N -1 0 347.292 3.072 20 30 EGEDRM O=C([O-])C1(NC(=O)c2ccc(C#Cc3ccccc3)cc2)CCCC1 ZINC001601429345 970993661 /nfs/dbraw/zinc/99/36/61/970993661.db2.gz BZQPBDARQIOUPM-UHFFFAOYSA-N -1 0 333.387 3.214 20 30 EGEDRM C=CCOc1ccccc1C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC000325582943 971228731 /nfs/dbraw/zinc/22/87/31/971228731.db2.gz MUXKXOBRBZVQSW-UHFFFAOYSA-N -1 0 333.290 3.480 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)Nc1cccc(Oc2cccc(C)c2)c1 ZINC001602688166 971288752 /nfs/dbraw/zinc/28/87/52/971288752.db2.gz FHPGEAATRHRVEH-UHFFFAOYSA-N -1 0 338.363 3.339 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)Nc1cccc(Sc2ccccc2)c1 ZINC001602688306 971289646 /nfs/dbraw/zinc/28/96/46/971289646.db2.gz IYWNGICGUJUVEL-UHFFFAOYSA-N -1 0 340.404 3.390 20 30 EGEDRM C=C(C)c1cccc(NC(=O)NC[C@H]2CCC3(CC(C(=O)[O-])C3)O2)c1 ZINC001602712356 971355656 /nfs/dbraw/zinc/35/56/56/971355656.db2.gz OGBLOVIVOGVYGU-NLGTXKQRSA-N -1 0 344.411 3.254 20 30 EGEDRM C=CCNC(=O)Nc1ccc(NCc2ccc(C(=O)[O-])cc2)cc1 ZINC001602723055 971392991 /nfs/dbraw/zinc/39/29/91/971392991.db2.gz JOLKMQQXCRATAR-UHFFFAOYSA-N -1 0 325.368 3.304 20 30 EGEDRM C=CCn1c(=O)c2ccccc2nc1SCCC1(C(=O)[O-])CCC1 ZINC001602730975 971411503 /nfs/dbraw/zinc/41/15/03/971411503.db2.gz OWDPKGZIDWOSSY-UHFFFAOYSA-N -1 0 344.436 3.320 20 30 EGEDRM C#CCCCCNC(=O)Nc1cc(C(=O)[O-])ccc1Br ZINC000229754945 949659478 /nfs/dbraw/zinc/65/94/78/949659478.db2.gz HMKDBJRHOLEWEC-UHFFFAOYSA-N -1 0 339.189 3.072 20 30 EGEDRM CCCOc1ccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])cc1OCCC ZINC001589681017 950049169 /nfs/dbraw/zinc/04/91/69/950049169.db2.gz CBBMGFHVYWAOHM-GOSISDBHSA-N -1 0 348.399 3.207 20 30 EGEDRM N#CCCC[C@@H](NC(=O)NC1CCC(C(=O)[O-])CC1)c1ccccc1 ZINC000263338911 950380659 /nfs/dbraw/zinc/38/06/59/950380659.db2.gz DXSZNKBUHNDTEH-OFLPRAFFSA-N -1 0 343.427 3.364 20 30 EGEDRM N#CCSc1ccccc1C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000321599772 951017879 /nfs/dbraw/zinc/01/78/79/951017879.db2.gz QYFVSUHNWRTQNH-CYBMUJFWSA-N -1 0 332.425 3.019 20 30 EGEDRM CC[C@H](C)[C@H](NC(=O)c1ccc(C#Cc2ccccc2)cc1)C(=O)[O-] ZINC001593613198 953472627 /nfs/dbraw/zinc/47/26/27/953472627.db2.gz UPKWKUNGMNCVLV-KXBFYZLASA-N -1 0 335.403 3.316 20 30 EGEDRM CC[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)C(=O)[O-] ZINC001593619357 953520197 /nfs/dbraw/zinc/52/01/97/953520197.db2.gz PHGMEBOIJOCDPN-SJORKVTESA-N -1 0 337.379 3.327 20 30 EGEDRM C#CC[C@@H](NC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1ccccc1 ZINC000848581012 955752783 /nfs/dbraw/zinc/75/27/83/955752783.db2.gz JEWODZZMHUYKJW-QMCVQRASSA-N -1 0 342.439 3.186 20 30 EGEDRM C[C@H](NC(=O)C[C@@H](CC#N)c1ccccc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589094669 955975492 /nfs/dbraw/zinc/97/54/92/955975492.db2.gz YSLDVWGMGUSRIT-PQEBFOHHSA-N -1 0 342.439 3.326 20 30 EGEDRM N#Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC001594628605 956333936 /nfs/dbraw/zinc/33/39/36/956333936.db2.gz FWWRFFMWGJKZGK-WJFTUGDTSA-N -1 0 346.386 3.091 20 30 EGEDRM Cc1cc(C#N)cc(C)c1CC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001119532434 957186669 /nfs/dbraw/zinc/18/66/69/957186669.db2.gz WYUSOMVRNLBDHV-UHFFFAOYSA-N -1 0 336.391 3.374 20 30 EGEDRM C#CCN(C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21)C1CCCCC1 ZINC001121927379 957238853 /nfs/dbraw/zinc/23/88/53/957238853.db2.gz WAZTVLAETCPXCM-ZWKOTPCHSA-N -1 0 340.423 3.277 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)N[C@H]1CCC(C)(C)C[C@@H]1c1ccccc1 ZINC001588410672 958142935 /nfs/dbraw/zinc/14/29/35/958142935.db2.gz XVKKOSFREPJSAY-SJORKVTESA-N -1 0 342.439 3.078 20 30 EGEDRM C#CCN(CC(=O)[O-])Cc1cccc(OCc2ccc(F)cc2F)c1 ZINC001588424280 958212872 /nfs/dbraw/zinc/21/28/72/958212872.db2.gz NHFOTBWLFVHCFG-UHFFFAOYSA-N -1 0 345.345 3.064 20 30 EGEDRM C#CCN(Cc1ccccc1)C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001573327569 958491152 /nfs/dbraw/zinc/49/11/52/958491152.db2.gz RDKQDKJQVZRTAU-MOPGFXCFSA-N -1 0 348.402 3.145 20 30 EGEDRM C=CCN(Cc1ccccc1F)C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001588464435 958491920 /nfs/dbraw/zinc/49/19/20/958491920.db2.gz QQTFERMCRRIXCR-UHFFFAOYSA-N -1 0 329.331 3.139 20 30 EGEDRM C=CCOc1ccccc1CNC(=O)N1CCC[C@@](CC)(C(=O)[O-])C1 ZINC001588469842 958520543 /nfs/dbraw/zinc/52/05/43/958520543.db2.gz XROYSENBZLDNAZ-LJQANCHMSA-N -1 0 346.427 3.038 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC(Cc2ccccc2Cl)CC1 ZINC001573359800 958587412 /nfs/dbraw/zinc/58/74/12/958587412.db2.gz IRWBDOBUBBCFEQ-SFHVURJKSA-N -1 0 348.830 3.126 20 30 EGEDRM CCCCCCCCNS(=O)(=O)c1c(C)csc1C(=O)[O-] ZINC000226478667 959887372 /nfs/dbraw/zinc/88/73/72/959887372.db2.gz FXVNZIOZVMSZIC-UHFFFAOYSA-N -1 0 333.475 3.394 20 30 EGEDRM Cc1cc(C#N)cc(NC(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c1 ZINC001574308024 960755656 /nfs/dbraw/zinc/75/56/56/960755656.db2.gz RNQXOIBXVQTKLH-ZWKOTPCHSA-N -1 0 349.390 3.199 20 30 EGEDRM N#CCC[C@@H](NC(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1ccccc1 ZINC001263063591 960863000 /nfs/dbraw/zinc/86/30/00/960863000.db2.gz YVIUZJVBUOKUSQ-DOTOQJQBSA-N -1 0 343.427 3.318 20 30 EGEDRM CC(C)C[C@@H](NC(=O)c1c(Cl)cc(C#N)cc1Cl)C(=O)[O-] ZINC001588884147 962163499 /nfs/dbraw/zinc/16/34/99/962163499.db2.gz AZBKBIYHHINQOT-LLVKDONJSA-N -1 0 329.183 3.094 20 30 EGEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)Cc1ccccc1C(=O)[O-] ZINC001588936630 962508611 /nfs/dbraw/zinc/50/86/11/962508611.db2.gz VXIDJSOONDLAQM-UHFFFAOYSA-N -1 0 338.363 3.225 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)NCC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC001573332728 962840100 /nfs/dbraw/zinc/84/01/00/962840100.db2.gz OAESHYLMMPFRLK-UHFFFAOYSA-N -1 0 341.329 3.274 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1cnn(-c2ccc(F)cc2)c1CCC ZINC001573337327 962864267 /nfs/dbraw/zinc/86/42/67/962864267.db2.gz MLKAOMZYPKDXIM-UHFFFAOYSA-N -1 0 345.374 3.323 20 30 EGEDRM C=CCc1ccc(OC(=O)c2ccc(OCC(=O)[O-])cc2)c(OC)c1 ZINC001573337833 962867831 /nfs/dbraw/zinc/86/78/31/962867831.db2.gz VMSVCTIYFKFDEW-UHFFFAOYSA-N -1 0 342.347 3.106 20 30 EGEDRM C=CC(C)(C)CNC(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC001573348655 962960187 /nfs/dbraw/zinc/96/01/87/962960187.db2.gz YXYZILLGJFVXMC-UHFFFAOYSA-N -1 0 326.190 3.089 20 30 EGEDRM C=CCC1(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)CCCCC1 ZINC001573353456 963002627 /nfs/dbraw/zinc/00/26/27/963002627.db2.gz VYMPRQPAKHRCHQ-UHFFFAOYSA-N -1 0 341.404 3.081 20 30 EGEDRM C=CCCCn1c(CC2CCCC2)nnc1N1CCC(C(=O)[O-])CC1 ZINC001573359956 963029445 /nfs/dbraw/zinc/02/94/45/963029445.db2.gz BONILDBUECXFBT-UHFFFAOYSA-N -1 0 346.475 3.278 20 30 EGEDRM C=CCCOCCNC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC001573360438 963038193 /nfs/dbraw/zinc/03/81/93/963038193.db2.gz OXGXAFIGVUORMV-UHFFFAOYSA-N -1 0 334.397 3.314 20 30 EGEDRM C=CCOC[C@@H](NC(=O)CC1CCC(C(C)(C)CC)CC1)C(=O)[O-] ZINC001573369754 963101385 /nfs/dbraw/zinc/10/13/85/963101385.db2.gz ZIBHOVAJBXUSQK-UYSNPLJNSA-N -1 0 339.476 3.391 20 30 EGEDRM C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC001573379304 963106649 /nfs/dbraw/zinc/10/66/49/963106649.db2.gz BWIRZEHWBZYLDL-ZACQAIPSSA-N -1 0 345.439 3.207 20 30 EGEDRM C#Cc1ccc([C@H](OC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C(F)(F)F)cc1 ZINC001588439486 964029755 /nfs/dbraw/zinc/02/97/55/964029755.db2.gz WXEZZKQDZHJUAG-RDBSUJKOSA-N -1 0 340.297 3.315 20 30 EGEDRM N#CCc1ccc(OCc2ccccc2NC(=O)CCC(=O)[O-])cc1 ZINC001608189649 970402517 /nfs/dbraw/zinc/40/25/17/970402517.db2.gz DRYRJGNOFAURTQ-UHFFFAOYSA-N -1 0 338.363 3.135 20 30 EGEDRM O=C([O-])c1ccc(C(=O)Nc2cccc(C#Cc3cccs3)c2)cn1 ZINC001605857432 972607769 /nfs/dbraw/zinc/60/77/69/972607769.db2.gz NHIRDJYWLBXYCL-UHFFFAOYSA-N -1 0 348.383 3.493 20 30 EGEDRM Cc1c2cc(C#N)ccc2sc1C(=O)NC[C@H](C(=O)[O-])C(C)C ZINC001605076531 972705649 /nfs/dbraw/zinc/70/56/49/972705649.db2.gz DZQVORMRDQOBJS-ZDUSSCGKSA-N -1 0 330.409 3.168 20 30 EGEDRM C[C@@H]1CCCN(CC#Cc2ccc(C(F)(F)F)cc2)[C@H]1C(=O)[O-] ZINC001603410501 973091030 /nfs/dbraw/zinc/09/10/30/973091030.db2.gz VJTJPYXVMYPWDN-IUODEOHRSA-N -1 0 325.330 3.242 20 30 EGEDRM C[C@H]1Cc2c(C#N)c(NC(=O)C3(C(=O)[O-])CCC3)sc2[C@@H](C)C1 ZINC001603476850 973372461 /nfs/dbraw/zinc/37/24/61/973372461.db2.gz ZFBWICWCYPTGPF-ZJUUUORDSA-N -1 0 332.425 3.499 20 30 EGEDRM N#CCc1ccc(NC(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC001605601611 973906153 /nfs/dbraw/zinc/90/61/53/973906153.db2.gz XMVBYXURVFADSA-IRXDYDNUSA-N -1 0 335.363 3.187 20 30 EGEDRM CCOC(=O)Nc1ccc(NCc2ccc(C(=O)[O-])s2)cc1C#N ZINC001603806094 974277771 /nfs/dbraw/zinc/27/77/71/974277771.db2.gz LHTXKWBQBHXLAD-UHFFFAOYSA-N -1 0 345.380 3.498 20 30 EGEDRM CN(C(=O)Cc1ccccc1C(=O)[O-])c1cc(Cl)ccc1C#N ZINC001604028508 974552765 /nfs/dbraw/zinc/55/27/65/974552765.db2.gz GLCQHRMRXIOQRX-UHFFFAOYSA-N -1 0 328.755 3.115 20 30 EGEDRM CC(C)c1ccc(NC(=O)CC2(C#N)CCOCC2)c(C(=O)[O-])c1 ZINC001591962527 976549098 /nfs/dbraw/zinc/54/90/98/976549098.db2.gz MQPOHDIBFIICJR-UHFFFAOYSA-N -1 0 330.384 3.157 20 30 EGEDRM C[C@](CC(=O)[O-])(NCc1ccc(F)cc1C#N)c1cccc(F)c1 ZINC001592329323 977756775 /nfs/dbraw/zinc/75/67/75/977756775.db2.gz VJIHYBZZOJIOFQ-GOSISDBHSA-N -1 0 330.334 3.316 20 30 EGEDRM C[C@@H](CCC1CCCCC1)NC(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001592477848 978247194 /nfs/dbraw/zinc/24/71/94/978247194.db2.gz OYNRGHJQJSKFGI-AWEZNQCLSA-N -1 0 335.448 3.135 20 30 EGEDRM CC(=NNc1ccccc1C(=O)[O-])c1cc2c(C)nn(C)c2s1 ZINC000807958483 978851149 /nfs/dbraw/zinc/85/11/49/978851149.db2.gz ZZCMNAPHRKZAGW-UHFFFAOYSA-N -1 0 328.397 3.478 20 30 EGEDRM Cc1ccc(NC(=S)NN=C2CC[C@H](CC(=O)[O-])[C@H]2C)c(C)c1 ZINC000814706803 978875086 /nfs/dbraw/zinc/87/50/86/978875086.db2.gz FYIXSOJQKIPXDM-CHWSQXEVSA-N -1 0 333.457 3.467 20 30 EGEDRM Cc1ccc(C)c(NC(=S)NN=C2CC[C@H](CC(=O)[O-])[C@@H]2C)c1 ZINC000814707741 978875365 /nfs/dbraw/zinc/87/53/65/978875365.db2.gz VEAMUGCVFFLPHS-QWHCGFSZSA-N -1 0 333.457 3.467 20 30 EGEDRM C[C@@H]1C(N=Nc2cncc(Br)c2)CC[C@H]1CC(=O)[O-] ZINC000814886433 978895816 /nfs/dbraw/zinc/89/58/16/978895816.db2.gz BTASUAHBNXTKIC-IUCAKERBSA-N -1 0 326.194 3.133 20 30 EGEDRM COC(=O)c1ccc(N=NC2CC[C@H](CC(=O)[O-])[C@@H]2C)cc1Cl ZINC000814902304 978897256 /nfs/dbraw/zinc/89/72/56/978897256.db2.gz RZGWPJZWYKWJFH-VHSXEESVSA-N -1 0 338.791 3.415 20 30 EGEDRM CC[C@@H](C)n1nc(C(=O)OCc2cccc(C(=O)[O-])c2C#N)cc1C ZINC001595022718 979108965 /nfs/dbraw/zinc/10/89/65/979108965.db2.gz NXVVOAWLMDZULH-LLVKDONJSA-N -1 0 341.367 3.089 20 30 EGEDRM C=C(C)[C@@H]1OCC[C@@H]1CNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000844219795 979383765 /nfs/dbraw/zinc/38/37/65/979383765.db2.gz WPOFQFQQUWZLOW-HUIAQSGMSA-N -1 0 332.356 3.086 20 30 EGEDRM CC[C@@](C/N=C/c1cccc(OC)c1O)(C(=O)[O-])c1ccccc1 ZINC001595131093 979547707 /nfs/dbraw/zinc/54/77/07/979547707.db2.gz JQBOCHSEJNDEMC-GUBFPNNNSA-N -1 0 327.380 3.252 20 30 EGEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)NC[C@@H](C(=O)[O-])C1CCCCC1 ZINC001592834883 979581377 /nfs/dbraw/zinc/58/13/77/979581377.db2.gz ZHFVCKWNIISMCF-KBXCAEBGSA-N -1 0 342.439 3.134 20 30 EGEDRM C#CCOc1ccc(F)cc1NC(=O)CC1(CC(=O)[O-])CCCC1 ZINC000872939930 980161206 /nfs/dbraw/zinc/16/12/06/980161206.db2.gz PXABUXHMIXRUGU-UHFFFAOYSA-N -1 0 333.359 3.201 20 30 EGEDRM CC[C@H](NC(=O)N1CCC(C#N)(C(=O)[O-])CC1)c1cc(C)ccc1C ZINC001595247981 980195812 /nfs/dbraw/zinc/19/58/12/980195812.db2.gz WURNTPMNSGYSKQ-INIZCTEOSA-N -1 0 343.427 3.155 20 30 EGEDRM C#CCCOc1ccc(C[NH2+][C@H](C(=O)[O-])c2cccc(OC)c2)cc1 ZINC000901754740 980485855 /nfs/dbraw/zinc/48/58/55/980485855.db2.gz OAHFUHGOIMDLBL-IBGZPJMESA-N -1 0 339.391 3.013 20 30 EGEDRM C#CCC1(C(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)CCCCC1 ZINC000909606674 981550433 /nfs/dbraw/zinc/55/04/33/981550433.db2.gz ZACDPUGYDWWGAC-LJQANCHMSA-N -1 0 327.424 3.119 20 30 EGEDRM C#CCC1(C(=O)N(C)c2ccc(OCC(=O)[O-])cc2)CCCCC1 ZINC000909786072 981620950 /nfs/dbraw/zinc/62/09/50/981620950.db2.gz IEHOCASEEOKMFM-UHFFFAOYSA-N -1 0 329.396 3.087 20 30 EGEDRM CC[C@@](C)(C#N)C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC001594777563 981769171 /nfs/dbraw/zinc/76/91/71/981769171.db2.gz AIWKLGZRJPWZSX-SFHVURJKSA-N -1 0 326.352 3.182 20 30 EGEDRM C=CCCC[C@H](NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)c1ccccc1 ZINC000910518207 981982499 /nfs/dbraw/zinc/98/24/99/981982499.db2.gz ZIKHVXFYQXYLAW-KSZLIROESA-N -1 0 345.439 3.470 20 30 EGEDRM CCCCC[C@H](NC(=O)C#Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001595671012 982122206 /nfs/dbraw/zinc/12/22/06/982122206.db2.gz XFNWRBBPAUIBRL-AWEZNQCLSA-N -1 0 341.329 3.207 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1cccnc1SC(F)(F)F)C(=O)[O-] ZINC000910913083 982161587 /nfs/dbraw/zinc/16/15/87/982161587.db2.gz RSMBIJFFEDZLRT-JTQLQIEISA-N -1 0 348.346 3.233 20 30 EGEDRM CCCCCCCS(=O)(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001595708957 982289062 /nfs/dbraw/zinc/28/90/62/982289062.db2.gz NNLRRTOXWJBBDX-AWEZNQCLSA-N -1 0 333.494 3.109 20 30 EGEDRM CCC(C#N)(CC)C(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC000923094084 982719011 /nfs/dbraw/zinc/71/90/11/982719011.db2.gz RGJJVSXGPQRDID-HNNXBMFYSA-N -1 0 328.412 3.251 20 30 EGEDRM CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C(=O)[O-])cc1F ZINC001595885853 982911024 /nfs/dbraw/zinc/91/10/24/982911024.db2.gz JMIYDQXWJGAOGT-UHFFFAOYSA-N -1 0 340.354 3.448 20 30 EGEDRM CCCNc1ccc(C#N)cc1NC(=O)c1c(C)coc1CC(=O)[O-] ZINC001595936203 983072248 /nfs/dbraw/zinc/07/22/48/983072248.db2.gz YOYNGRLONGFJDF-UHFFFAOYSA-N -1 0 341.367 3.161 20 30 EGEDRM C#CC[C@@H](Cc1ccccc1)OC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001588393974 983400670 /nfs/dbraw/zinc/40/06/70/983400670.db2.gz IAGVIOLPEKCVJB-HNNXBMFYSA-N -1 0 326.323 3.315 20 30 EGEDRM C#CC[C@@H](NC(=O)NCCCCC1(C(=O)[O-])CCC1)c1ccccc1 ZINC001588407512 983428299 /nfs/dbraw/zinc/42/82/99/983428299.db2.gz JFFMOHCYRPQTNO-QGZVFWFLSA-N -1 0 342.439 3.475 20 30 EGEDRM C#CCN(Cc1ccc(F)cc1)Cc1ccccc1O[C@H](C)C(=O)[O-] ZINC001588469346 983501785 /nfs/dbraw/zinc/50/17/85/983501785.db2.gz GGOBINZHHVJWEM-OAHLLOKOSA-N -1 0 341.382 3.313 20 30 EGEDRM C#Cc1cccc(NC(=O)N2CCc3c(F)ccc(C(=O)[O-])c3C2)c1 ZINC001588524479 983574812 /nfs/dbraw/zinc/57/48/12/983574812.db2.gz LRENJXSJVXKXJS-UHFFFAOYSA-N -1 0 338.338 3.095 20 30 EGEDRM C=C(C)[C@@H]1OCC[C@@H]1CNc1ncc(C(=O)[O-])cc1C(F)(F)F ZINC001588534610 983586363 /nfs/dbraw/zinc/58/63/63/983586363.db2.gz BCYWGTXKNPRWRT-SKDRFNHKSA-N -1 0 330.306 3.192 20 30 EGEDRM C=C(C)[C@H](CC(=O)O[C@H](C(=O)[O-])c1ccc(Cl)cc1)OCC ZINC001588535336 983588673 /nfs/dbraw/zinc/58/86/73/983588673.db2.gz MSBUSXIYMLVHOB-ZFWWWQNUSA-N -1 0 326.776 3.380 20 30 EGEDRM C=C(C)C[C@H](NC(=O)/C=C\c1ccccc1O[C@@H](C)CC)C(=O)[O-] ZINC001588540390 983603589 /nfs/dbraw/zinc/60/35/89/983603589.db2.gz FJKYNCVZAWFJDK-HMDHADNKSA-N -1 0 331.412 3.413 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)/C=C/Sc1cc(F)ccc1F)C(=O)[O-] ZINC001588541042 983606366 /nfs/dbraw/zinc/60/63/66/983606366.db2.gz RISWNXBVMQUOOI-BTDICHCPSA-N -1 0 327.352 3.106 20 30 EGEDRM C=C(C)CN(C)C(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC001588561662 983642920 /nfs/dbraw/zinc/64/29/20/983642920.db2.gz UAHXWGKTJIVWFG-UHFFFAOYSA-N -1 0 331.416 3.415 20 30 EGEDRM C=C(C)c1ncc(-c2cc(C(=O)[O-])n(C(=O)OC(C)(C)C)c2)cn1 ZINC001588605485 983693178 /nfs/dbraw/zinc/69/31/78/983693178.db2.gz JBKMFWFHZIMIJO-UHFFFAOYSA-N -1 0 329.356 3.460 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1ncccc1OCC1CCCCC1 ZINC001588632867 983746686 /nfs/dbraw/zinc/74/66/86/983746686.db2.gz CZEITTXYMKVGRH-UHFFFAOYSA-N -1 0 332.400 3.400 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1cccc(-c2ccc3c(c2)CCO3)n1 ZINC001588634155 983752662 /nfs/dbraw/zinc/75/26/62/983752662.db2.gz SGRXPSJDNIXNQG-UHFFFAOYSA-N -1 0 338.363 3.043 20 30 EGEDRM C=C1CCC(C(=O)Nc2cc(CCC(=O)[O-])ccc2OCOC)CC1 ZINC001588650124 983772007 /nfs/dbraw/zinc/77/20/07/983772007.db2.gz ZLRBMRFKCYFZPF-UHFFFAOYSA-N -1 0 347.411 3.371 20 30 EGEDRM C=CC(C)(C)CNc1cnn(-c2ccccc2C(=O)[O-])c(=O)c1Cl ZINC001588681269 983838929 /nfs/dbraw/zinc/83/89/29/983838929.db2.gz UUECBFQWKZONLE-UHFFFAOYSA-N -1 0 347.802 3.208 20 30 EGEDRM C=C[C@H](C)ONC(=O)Nc1nc(-c2ccccc2)c(CC(=O)[O-])s1 ZINC001588687804 983872259 /nfs/dbraw/zinc/87/22/59/983872259.db2.gz SLNKDNRLHOALQR-JTQLQIEISA-N -1 0 347.396 3.065 20 30 EGEDRM C=C[C@@H](Nc1cccc(-c2cn(Cc3ccccc3)nn2)c1)C(=O)[O-] ZINC001588701863 983916640 /nfs/dbraw/zinc/91/66/40/983916640.db2.gz BNMUETWNAQLDFK-QGZVFWFLSA-N -1 0 334.379 3.045 20 30 EGEDRM C=C[C@H](Sc1nnc(-c2ccccn2)n1-c1ccccc1)C(=O)[O-] ZINC001588714795 983953498 /nfs/dbraw/zinc/95/34/98/983953498.db2.gz NPQIRMYNMBTITM-AWEZNQCLSA-N -1 0 338.392 3.061 20 30 EGEDRM C=CC[C@H](C(=O)[O-])N(CC)CC(=O)Nc1c(Cl)cccc1Cl ZINC001588729894 983995042 /nfs/dbraw/zinc/99/50/42/983995042.db2.gz VXHAESQYLOKIFD-GFCCVEGCSA-N -1 0 345.226 3.283 20 30 EGEDRM C=CC[C@H](C(=O)[O-])N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC001588732323 984018058 /nfs/dbraw/zinc/01/80/58/984018058.db2.gz ZKHGGRAJHFQYEZ-OAHLLOKOSA-N -1 0 349.228 3.318 20 30 EGEDRM C=CC[C@@H](CC)NS(=O)(=O)c1cc2ccccc2cc1C(=O)[O-] ZINC001588736080 984022906 /nfs/dbraw/zinc/02/29/06/984022906.db2.gz RLVSJQBWAAVYGY-CQSZACIVSA-N -1 0 333.409 3.171 20 30 EGEDRM C=CCC(F)(F)C(=O)N[C@H](CC(=O)[O-])c1ccc(SC)cc1 ZINC001588743186 984036437 /nfs/dbraw/zinc/03/64/37/984036437.db2.gz TXMYSQWZZRHZRP-GFCCVEGCSA-N -1 0 329.368 3.252 20 30 EGEDRM C=CCC1(C(=O)N2CC[C@H](c3ncc(C(=O)[O-])s3)C2)CCCC1 ZINC001588762910 984117364 /nfs/dbraw/zinc/11/73/64/984117364.db2.gz NCSHPNPRYZYQHJ-LBPRGKRZSA-N -1 0 334.441 3.294 20 30 EGEDRM C=CCC1(NS(=O)(=O)Cc2ccc(C(=O)[O-])cc2)CCCCC1 ZINC001588768914 984131683 /nfs/dbraw/zinc/13/16/83/984131683.db2.gz HLNLEWNLFVQCGY-UHFFFAOYSA-N -1 0 337.441 3.083 20 30 EGEDRM C=CC[C@@H]1CCN(C(=O)Nc2cccc(CSCC(=O)[O-])c2)C1 ZINC001588772199 984141190 /nfs/dbraw/zinc/14/11/90/984141190.db2.gz AETXIVXLAUGHIF-CYBMUJFWSA-N -1 0 334.441 3.434 20 30 EGEDRM C=CCCC(=O)Nc1ccc(COC(=O)C[C@H](C)CC(=O)[O-])cc1 ZINC001588777098 984155058 /nfs/dbraw/zinc/15/50/58/984155058.db2.gz TYGWIHJDMWHCHW-CYBMUJFWSA-N -1 0 333.384 3.135 20 30 EGEDRM C=CCCC[C@H](NC(=O)/C=C\Sc1cc(F)ccc1F)C(=O)[O-] ZINC001588789743 984200876 /nfs/dbraw/zinc/20/08/76/984200876.db2.gz ISJKQLRAFMHXCB-YXVBKTCISA-N -1 0 341.379 3.496 20 30 EGEDRM C=CCCC[C@@H](NC(=O)/C=C/c1nc2ccccc2s1)C(=O)[O-] ZINC001588789926 984202347 /nfs/dbraw/zinc/20/23/47/984202347.db2.gz NCJKSGSAVGKJIM-OCHBPSSRSA-N -1 0 330.409 3.235 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1cccn1Cc1ccccc1)C(=O)[O-] ZINC001588793159 984216442 /nfs/dbraw/zinc/21/64/42/984216442.db2.gz LTNWIENZUMLDEV-INIZCTEOSA-N -1 0 326.396 3.076 20 30 EGEDRM C=CCCC[C@H](NC(=O)Nc1c(C(=O)[O-])cnn1C)c1ccccc1 ZINC001588794186 984225499 /nfs/dbraw/zinc/22/54/99/984225499.db2.gz NUHCFDZEQUOGTD-HNNXBMFYSA-N -1 0 342.399 3.337 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1c(C)[nH]c2ccc(OC)cc21)C(=O)[O-] ZINC001588794343 984226436 /nfs/dbraw/zinc/22/64/36/984226436.db2.gz RLPOQPKBADFOEI-OAHLLOKOSA-N -1 0 330.384 3.024 20 30 EGEDRM C=CCCC[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1)C(=O)[O-] ZINC001588794413 984227206 /nfs/dbraw/zinc/22/72/06/984227206.db2.gz TWIVLXPAVHGXCC-SMDDNHRTSA-N -1 0 325.792 3.033 20 30 EGEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC001588829276 984313038 /nfs/dbraw/zinc/31/30/38/984313038.db2.gz NPGPXLMTOYSLND-UHFFFAOYSA-N -1 0 343.423 3.245 20 30 EGEDRM C=CCOc1ccc(/C=C\C(=O)c2cc(C(=O)[O-])co2)cc1OC ZINC001588874960 984449936 /nfs/dbraw/zinc/44/99/36/984449936.db2.gz MEIONPUZOXUQJD-XQRVVYSFSA-N -1 0 328.320 3.447 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@@H](CCC)OCC ZINC001588882569 984464246 /nfs/dbraw/zinc/46/42/46/984464246.db2.gz ZKTCBZDBOOAHRQ-CQSZACIVSA-N -1 0 336.384 3.233 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1ccccc1OC ZINC001588884885 984464467 /nfs/dbraw/zinc/46/44/67/984464467.db2.gz FRUBTGHYKRNWQL-UHFFFAOYSA-N -1 0 342.347 3.350 20 30 EGEDRM CC#CCCCC(=O)N[C@H](C[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC001588925891 984589977 /nfs/dbraw/zinc/58/99/77/984589977.db2.gz ZIRZAVBIBKSOMX-SJLPKXTDSA-N -1 0 327.424 3.260 20 30 EGEDRM CC(=NNC(=S)Nc1cccc(C)c1C)c1cc(C(=O)[O-])co1 ZINC001589017100 985000844 /nfs/dbraw/zinc/00/08/44/985000844.db2.gz XZOQNCKNPURFTE-UHFFFAOYSA-N -1 0 331.397 3.305 20 30 EGEDRM Cc1c(C(=O)/C=C\c2ccc(/C=C/C(=O)[O-])o2)c(C#N)c2n1CCC2 ZINC001599974785 986072180 /nfs/dbraw/zinc/07/21/80/986072180.db2.gz IRYLPKKCJSXNPY-MKKAVFGOSA-N -1 0 336.347 3.201 20 30 EGEDRM C[C@@](C#N)(CCc1ccccc1)NC(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC001589324060 986153352 /nfs/dbraw/zinc/15/33/52/986153352.db2.gz SLBDGSBBMGEAOV-UCFODXPJSA-N -1 0 338.363 3.022 20 30 EGEDRM C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC001589336385 986221816 /nfs/dbraw/zinc/22/18/16/986221816.db2.gz ZMNIBEKJJGMLIX-JTQLQIEISA-N -1 0 343.314 3.459 20 30 EGEDRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N(C)Cc2ccc(C#N)cc2)cc1 ZINC001589503175 987106992 /nfs/dbraw/zinc/10/69/92/987106992.db2.gz ALHWHBGPZMRUGE-ZDUSSCGKSA-N -1 0 337.379 3.410 20 30 EGEDRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)NCc2cc(C#N)ccc2F)cc1 ZINC001589511692 987142244 /nfs/dbraw/zinc/14/22/44/987142244.db2.gz FQJFIYXQQLEWBK-LLVKDONJSA-N -1 0 341.342 3.207 20 30 EGEDRM CC(C)(C#N)c1ccc(C(=O)NC[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC001589557508 987306880 /nfs/dbraw/zinc/30/68/80/987306880.db2.gz DQJGYMMYIKKHEM-QGZVFWFLSA-N -1 0 336.391 3.086 20 30 EGEDRM CC(C)(C(=O)[O-])[C@@H](NC(=O)N1CCC[C@@H](CC#N)C1)c1ccccc1 ZINC001589593940 987409026 /nfs/dbraw/zinc/40/90/26/987409026.db2.gz JOUJFMPKHHQVIG-HOCLYGCPSA-N -1 0 343.427 3.174 20 30 EGEDRM CC(C)(C(=O)[O-])c1ccc(NCc2c(C#N)cccc2[N+](=O)[O-])cc1 ZINC001589641523 987564292 /nfs/dbraw/zinc/56/42/92/987564292.db2.gz UYQOWMMFLLKCDX-UHFFFAOYSA-N -1 0 339.351 3.441 20 30 EGEDRM CC(C)(C)C(=O)CCCC(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001589685926 987729294 /nfs/dbraw/zinc/72/92/94/987729294.db2.gz JZSAZTCNFCEUSS-INIZCTEOSA-N -1 0 331.368 3.013 20 30 EGEDRM CC(C)(C)OC(=O)N1CC(S[C@@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC001589939003 988699775 /nfs/dbraw/zinc/69/97/75/988699775.db2.gz IOZZEPDVLCYIIF-CQSZACIVSA-N -1 0 348.424 3.036 20 30 EGEDRM CCc1nc(NC(=O)c2cccc(SCC#N)c2)sc1C(=O)[O-] ZINC001597685512 988835483 /nfs/dbraw/zinc/83/54/83/988835483.db2.gz XLBYGUSEIMOROA-UHFFFAOYSA-N -1 0 347.421 3.272 20 30 EGEDRM CC(C)(C)c1cc(C(=O)[O-])c(NC(=O)c2cccc(C#N)n2)s1 ZINC001590463326 990036701 /nfs/dbraw/zinc/03/67/01/990036701.db2.gz IQELDNPTIAKRCS-UHFFFAOYSA-N -1 0 329.381 3.263 20 30 EGEDRM CC(C)(C)c1cc(N2CCC(C#N)(C(=O)[O-])CC2)nc(C(C)(C)C)n1 ZINC001590464167 990041131 /nfs/dbraw/zinc/04/11/31/990041131.db2.gz XCBFQTWXGWWKFG-UHFFFAOYSA-N -1 0 344.459 3.266 20 30 EGEDRM CN(C(=O)CSc1cccc(F)c1C#N)c1ccccc1C(=O)[O-] ZINC001598033633 990256871 /nfs/dbraw/zinc/25/68/71/990256871.db2.gz YSOHVYDLVSNTEW-UHFFFAOYSA-N -1 0 344.367 3.151 20 30 EGEDRM CN(C(=O)c1cccc(CC(=O)[O-])c1)c1cc(Cl)ccc1C#N ZINC001598089076 990430155 /nfs/dbraw/zinc/43/01/55/990430155.db2.gz NEUSQMWZVFJGJX-UHFFFAOYSA-N -1 0 328.755 3.115 20 30 EGEDRM CC(C)C#CC(=O)N1CCC(c2c[nH]c3ccc(C(=O)[O-])cc32)CC1 ZINC001590927323 990933402 /nfs/dbraw/zinc/93/34/02/990933402.db2.gz ZGWXJCQHWPFGPV-UHFFFAOYSA-N -1 0 338.407 3.232 20 30 EGEDRM CN(C)c1cc(C#N)cc(-c2nc(-c3ccc(C(=O)[O-])cc3)no2)c1 ZINC001598288448 991196160 /nfs/dbraw/zinc/19/61/60/991196160.db2.gz URNIBLCQUTWIDI-UHFFFAOYSA-N -1 0 334.335 3.039 20 30 EGEDRM CC(C)[C@@H](Cc1ccccc1)NN=Cc1cccn1[C@@H](C)C(=O)[O-] ZINC001590993083 991210211 /nfs/dbraw/zinc/21/02/11/991210211.db2.gz GQCSPQINHKLWBM-MAUKXSAKSA-N -1 0 327.428 3.325 20 30 EGEDRM CN(CC(C)(C)C#N)C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC001598419117 991751616 /nfs/dbraw/zinc/75/16/16/991751616.db2.gz CIDOYAPZMXEFKT-UHFFFAOYSA-N -1 0 335.429 3.018 20 30 EGEDRM CC(C)CN(C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)C(C)(C)C(=O)[O-] ZINC001591280501 992209417 /nfs/dbraw/zinc/20/94/17/992209417.db2.gz LAUDRTACNUKJNZ-JKSUJKDBSA-N -1 0 328.412 3.010 20 30 EGEDRM CN(Cc1cc(Cl)cc(C#N)c1)c1ccc(OCC(=O)[O-])cc1 ZINC001598507847 992530052 /nfs/dbraw/zinc/53/00/52/992530052.db2.gz ZMVVBMYUIYOBOE-UHFFFAOYSA-N -1 0 330.771 3.311 20 30 EGEDRM C[C@]1(C#N)CCCN(C(=O)Nc2cc(C(=O)[O-])cc3cccnc32)C1 ZINC001593739599 996353602 /nfs/dbraw/zinc/35/36/02/996353602.db2.gz ITWWGSBRECQBNN-GOSISDBHSA-N -1 0 338.367 3.091 20 30 EGEDRM CC1(C)CCC/C(=C/c2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)C1=O ZINC001593884341 996720305 /nfs/dbraw/zinc/72/03/05/996720305.db2.gz BRFXOLOLZFCBCN-WQLSENKSSA-N -1 0 333.340 3.221 20 30 EGEDRM CC1(C)CCC[C@](NC(=O)c2ccc(C3(C#N)CC3)cc2)(C(=O)[O-])C1 ZINC001593891728 996737554 /nfs/dbraw/zinc/73/75/54/996737554.db2.gz FQIQBDUIFRWMCJ-HXUWFJFHSA-N -1 0 340.423 3.395 20 30 EGEDRM COc1ccc([C@@H](CC(=O)[O-])/N=C/c2ccccc2O)c(OC)c1 ZINC001599508274 997250231 /nfs/dbraw/zinc/25/02/31/997250231.db2.gz NNNXHTWSOVZTQQ-SKCQWOFPSA-N -1 0 329.352 3.044 20 30 EGEDRM C[C@]1(NC(=O)C[C@@H](CC#N)c2ccccc2)CCCC[C@H]1C(=O)[O-] ZINC001594054020 997781885 /nfs/dbraw/zinc/78/18/85/997781885.db2.gz ZSHQMECXGCWYQN-GJYPPUQNSA-N -1 0 328.412 3.224 20 30 EGEDRM COc1ccc(/C=C\C(=O)OCc2cccc(C(=O)[O-])c2C#N)cc1 ZINC001599544261 997897502 /nfs/dbraw/zinc/89/75/02/997897502.db2.gz NHOGOKKTHNFAMW-YFHOEESVSA-N -1 0 337.331 3.022 20 30 EGEDRM COc1cc(NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)ccc1C(=O)[O-] ZINC001599440668 997924232 /nfs/dbraw/zinc/92/42/32/997924232.db2.gz DSMVSZMRLPCOCX-JKSUJKDBSA-N -1 0 336.347 3.007 20 30 EGEDRM COc1cc(C#N)ccc1CNc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001599347388 998033030 /nfs/dbraw/zinc/03/30/30/998033030.db2.gz FGGHDULEMAWXSS-UHFFFAOYSA-N -1 0 341.323 3.094 20 30 EGEDRM COc1cc(Oc2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])ccc1C#N ZINC001599456432 998196128 /nfs/dbraw/zinc/19/61/28/998196128.db2.gz PMVUICMPUKFJDD-UHFFFAOYSA-N -1 0 328.280 3.274 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1NC(=O)c1cc2ccccc2n1CC#N ZINC001599374804 998470111 /nfs/dbraw/zinc/47/01/11/998470111.db2.gz XCCWGGKYPAYONW-UHFFFAOYSA-N -1 0 349.346 3.124 20 30 EGEDRM COC(=O)c1cccc([C@H](Nc2ccc(CCC#N)cc2)C(=O)[O-])c1 ZINC001598993383 998756987 /nfs/dbraw/zinc/75/69/87/998756987.db2.gz ALFGDUKNXLMFMS-KRWDZBQOSA-N -1 0 338.363 3.167 20 30 EGEDRM C[C@@H]1CC(N=Nc2cc(C(=O)[O-])ccc2Br)c2nccn21 ZINC001594196240 998760414 /nfs/dbraw/zinc/76/04/14/998760414.db2.gz HTMUKSRJXOPXLZ-MRVPVSSYSA-N -1 0 349.188 3.125 20 30 EGEDRM C[C@@H]1CC(=O)N(C)c2ccc(N[C@H](C(=O)[O-])c3cccc(C#N)c3)cc21 ZINC001594198740 998769869 /nfs/dbraw/zinc/76/98/69/998769869.db2.gz OZAAUZGVNPIXMW-BLVKFPJESA-N -1 0 349.390 3.266 20 30 EGEDRM CO[C@@H](C(=O)[O-])c1ccccc1OCCCOc1ccc(C#N)cc1 ZINC001599026572 999020398 /nfs/dbraw/zinc/02/03/98/999020398.db2.gz MSHUJRSZVNDWHC-GOSISDBHSA-N -1 0 341.363 3.178 20 30 EGEDRM C[C@H]1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)[C@H](C(=O)[O-])C1 ZINC001594423448 999580870 /nfs/dbraw/zinc/58/08/70/999580870.db2.gz RSLLKSKWSRCHQV-WFASDCNBSA-N -1 0 341.329 3.122 20 30 EGEDRM C[C@@H]1CCc2c(C#N)c(NC(=O)c3cc(C(=O)[O-])co3)sc2C1 ZINC001594444627 999634934 /nfs/dbraw/zinc/63/49/34/999634934.db2.gz WWZQTLHVKSFOFM-MRVPVSSYSA-N -1 0 330.365 3.288 20 30 EGEDRM O=C([O-])c1ccc(/C=C/C(=O)c2ccc(N3CCOC3=O)cc2)cc1 ZINC000064331673 214783129 /nfs/dbraw/zinc/78/31/29/214783129.db2.gz OILMTKXZNQSPJB-XCVCLJGOSA-N -1 0 337.331 3.238 20 30 EGEDRM C=CCCO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000067784308 215210746 /nfs/dbraw/zinc/21/07/46/215210746.db2.gz AYXLFFQMZCHTRK-CYBMUJFWSA-N -1 0 333.409 3.466 20 30 EGEDRM C=CCCO[C@@H](C)C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000262560826 245035451 /nfs/dbraw/zinc/03/54/51/245035451.db2.gz ZRWINULBUHIUOU-ZDUSSCGKSA-N -1 0 343.379 3.223 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2cc(C#N)c3ccccc3n2)ccc1C#N ZINC000351228869 144260576 /nfs/dbraw/zinc/26/05/76/144260576.db2.gz WSBDSFNFYVAKPA-UHFFFAOYSA-N -1 0 348.387 3.087 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)N[C@@H]2CCc3cc(C)ccc32)cc1C#N ZINC000351396639 144263535 /nfs/dbraw/zinc/26/35/35/144263535.db2.gz JYUJIGUTWISGGA-OAHLLOKOSA-N -1 0 339.420 3.107 20 30 EGEDRM CC(C)c1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000120539457 152284193 /nfs/dbraw/zinc/28/41/93/152284193.db2.gz RZFGVLLCTGAWFK-UHFFFAOYSA-N -1 0 345.380 3.391 20 30 EGEDRM Cc1cc(Cl)cnc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000313906389 154155462 /nfs/dbraw/zinc/15/54/62/154155462.db2.gz SKZFZOFYVKNRNC-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM CCCOc1cccc(NC(=O)c2cc(C#N)c(SC)[n-]c2=O)c1 ZINC000073938098 161678078 /nfs/dbraw/zinc/67/80/78/161678078.db2.gz NRKKEJFRFFMTMJ-UHFFFAOYSA-N -1 0 343.408 3.422 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2C#N)c(F)cc1F ZINC000183395422 162826795 /nfs/dbraw/zinc/82/67/95/162826795.db2.gz SPWPWDCHNPIULI-UHFFFAOYSA-N -1 0 326.299 3.085 20 30 EGEDRM Cc1ccc(-c2ccncc2)cc1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000367286778 168201062 /nfs/dbraw/zinc/20/10/62/168201062.db2.gz MYVMJJIBSPVOPI-UHFFFAOYSA-N -1 0 339.376 3.323 20 30 EGEDRM N#Cc1ccc2c(c1)N(C(=O)c1ccc(Br)cc1[O-])CC2 ZINC000436717026 270051617 /nfs/dbraw/zinc/05/16/17/270051617.db2.gz VIZOZHPOFVDXNC-UHFFFAOYSA-N -1 0 343.180 3.229 20 30 EGEDRM CCOc1ccc(NC(=O)c2ccc(C#N)c([O-])c2)c2ncccc12 ZINC000189216573 265744177 /nfs/dbraw/zinc/74/41/77/265744177.db2.gz ZWKQZDGTVLURSO-UHFFFAOYSA-N -1 0 333.347 3.463 20 30 EGEDRM CCCCN1Cc2cccc([N-]S(=O)(=O)c3ccc(C#N)o3)c2C1 ZINC000288620459 266032551 /nfs/dbraw/zinc/03/25/51/266032551.db2.gz VQOBNWPEDBFJFS-UHFFFAOYSA-N -1 0 345.424 3.068 20 30 EGEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000519589137 267170065 /nfs/dbraw/zinc/17/00/65/267170065.db2.gz QDBHHCGXECCQSH-MAUKXSAKSA-N -1 0 342.420 3.255 20 30 EGEDRM CC[C@@H](Sc1ccccc1)C(=O)N=c1[n-]n(C(C)C)cc1C#N ZINC000415254557 267199273 /nfs/dbraw/zinc/19/92/73/267199273.db2.gz KTEVSYUHSSGJOM-OAHLLOKOSA-N -1 0 328.441 3.267 20 30 EGEDRM Cc1ccnc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c1 ZINC000177922266 267517462 /nfs/dbraw/zinc/51/74/62/267517462.db2.gz TVXZVYQKPNTHPY-UHFFFAOYSA-N -1 0 341.314 3.081 20 30 EGEDRM COc1ccc2nc(C=C(C)c3nc(C)c(C#N)c(=O)[n-]3)sc2c1 ZINC000435337059 267650575 /nfs/dbraw/zinc/65/05/75/267650575.db2.gz SZDGVDPSYHYBBW-RMKNXTFCSA-N -1 0 338.392 3.129 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2ccccc2OC(C)C)ccc1C#N ZINC000435754781 268019012 /nfs/dbraw/zinc/01/90/12/268019012.db2.gz FWQRHJBWVXJILO-UHFFFAOYSA-N -1 0 330.409 3.455 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2noc3ccc(Cl)cc32)ccc1C#N ZINC000427632259 268019881 /nfs/dbraw/zinc/01/98/81/268019881.db2.gz CRLZNMSMCOHGFY-UHFFFAOYSA-N -1 0 347.783 3.462 20 30 EGEDRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)C=Cc1cccc(C#N)c1 ZINC000492913811 268023093 /nfs/dbraw/zinc/02/30/93/268023093.db2.gz RUDPBQJQWPEUAU-SOFGYWHQSA-N -1 0 345.362 3.009 20 30 EGEDRM Cc1cccc(S(=O)(=O)[N-]c2cc(C#N)c3ccccc3n2)c1F ZINC000508121538 268056173 /nfs/dbraw/zinc/05/61/73/268056173.db2.gz XYMGHNAURABWCJ-UHFFFAOYSA-N -1 0 341.367 3.355 20 30 EGEDRM COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000007428449 277820551 /nfs/dbraw/zinc/82/05/51/277820551.db2.gz IZXGLCPKQFTMAX-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM CCc1ccccc1S(=O)(=O)[N-]c1c(C#N)cnn1C1CCCC1 ZINC000337787435 288592291 /nfs/dbraw/zinc/59/22/91/288592291.db2.gz YDUJLZBIHZVPSC-UHFFFAOYSA-N -1 0 344.440 3.233 20 30 EGEDRM COc1ccc(C(=O)/C=C\c2ccc(F)c(F)c2)cc1CC(=O)[O-] ZINC000096814810 295077070 /nfs/dbraw/zinc/07/70/70/295077070.db2.gz YXFFBDQQMWNRRA-UTCJRWHESA-N -1 0 332.302 3.497 20 30 EGEDRM CCOc1cc([N-]S(=O)(=O)c2cccc(C)c2C#N)ccc1C ZINC000551473216 315155487 /nfs/dbraw/zinc/15/54/87/315155487.db2.gz JNOPNJDCEYEILU-UHFFFAOYSA-N -1 0 330.409 3.375 20 30 EGEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)c1cccc(SC)c1 ZINC000554661650 315341180 /nfs/dbraw/zinc/34/11/80/315341180.db2.gz DCUANLLURRMEJD-UHFFFAOYSA-N -1 0 334.422 3.090 20 30 EGEDRM CCc1cc(C)cc(CC)c1[N-]S(=O)(=O)c1cncc(C#N)c1 ZINC000555139588 315368409 /nfs/dbraw/zinc/36/84/09/315368409.db2.gz GFJRKHDQLPGPLN-UHFFFAOYSA-N -1 0 329.425 3.187 20 30 EGEDRM Cc1ccc(-c2cc(=NC(=O)c3ccc(C#N)c(Cl)c3)[nH][n-]2)o1 ZINC000556082241 315414919 /nfs/dbraw/zinc/41/49/19/315414919.db2.gz MCXBLSQLYPNXQS-UHFFFAOYSA-N -1 0 326.743 3.177 20 30 EGEDRM COc1ccc(CN=c2[n-]nc(-c3ccc(C)cc3C)o2)cc1C#N ZINC000564566585 316167805 /nfs/dbraw/zinc/16/78/05/316167805.db2.gz AFRLTVZEARKBHC-UHFFFAOYSA-N -1 0 334.379 3.268 20 30 EGEDRM Cc1cc(Cl)cc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c1O ZINC000388724714 324277294 /nfs/dbraw/zinc/27/72/94/324277294.db2.gz NZOBBZKENMDAHG-UHFFFAOYSA-N -1 0 336.800 3.335 20 30 EGEDRM C=CC[C@@H](CC)NS(=O)(=O)c1ccc(F)cc1Br ZINC000393785475 457467826 /nfs/dbraw/zinc/46/78/26/457467826.db2.gz LBPHTEVVKJUNNW-SNVBAGLBSA-N -1 0 336.226 3.221 20 30 EGEDRM Cc1cc(C(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)n[nH]1 ZINC000237889779 455229894 /nfs/dbraw/zinc/22/98/94/455229894.db2.gz FRNBJOPSTSOHHO-UHFFFAOYSA-N -1 0 345.358 3.068 20 30 EGEDRM CCSCc1cccc([N-]S(=O)(=O)c2ccc(C#N)nc2)c1 ZINC000157872461 455242541 /nfs/dbraw/zinc/24/25/41/455242541.db2.gz GFSWAKRYBUMXNT-UHFFFAOYSA-N -1 0 333.438 3.007 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3cnco3)c2)c(F)c1 ZINC000158071574 455265979 /nfs/dbraw/zinc/26/59/79/455265979.db2.gz MEBDNLRILDAWRJ-UHFFFAOYSA-N -1 0 343.339 3.153 20 30 EGEDRM CC[C@@](C)(CC(=O)[O-])C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000634893455 460585616 /nfs/dbraw/zinc/58/56/16/460585616.db2.gz QQQKROCJZMZEOR-INIZCTEOSA-N -1 0 341.329 3.064 20 30 EGEDRM Cc1c(F)cccc1S(=O)(=O)[N-]c1ncccc1OCCCC#N ZINC000174003497 455349460 /nfs/dbraw/zinc/34/94/60/455349460.db2.gz USFITRGLGXZIDS-UHFFFAOYSA-N -1 0 349.387 3.013 20 30 EGEDRM C=CCc1ccc(OCC(=O)Nc2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC000013166816 453451016 /nfs/dbraw/zinc/45/10/16/453451016.db2.gz SDVAJSWCXYNNCY-UHFFFAOYSA-N -1 0 341.363 3.139 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)Nc2ccc3c(c2)CCC3)cc1C#N ZINC000027609532 453819546 /nfs/dbraw/zinc/81/95/46/453819546.db2.gz LJSHCHJRCXMFNR-UHFFFAOYSA-N -1 0 325.393 3.122 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)N(C)[C@H]2CCc3ccccc32)cc1C#N ZINC000031906118 453857324 /nfs/dbraw/zinc/85/73/24/453857324.db2.gz HAQZVNVQWQXHJE-HNNXBMFYSA-N -1 0 339.420 3.140 20 30 EGEDRM O=C(C=Cc1ccncc1)[N-]S(=O)(=O)Cc1ccccc1Cl ZINC000083791942 453960036 /nfs/dbraw/zinc/96/00/36/453960036.db2.gz XBLKKOPMJTWTGZ-AATRIKPKSA-N -1 0 336.800 3.235 20 30 EGEDRM CCCCS(=O)(=O)[N-]C(=O)Cc1c[nH]c2ccc(Cl)cc12 ZINC000095399979 454202786 /nfs/dbraw/zinc/20/27/86/454202786.db2.gz JBIXQZWDRCNMMP-UHFFFAOYSA-N -1 0 328.821 3.450 20 30 EGEDRM CCSCc1ccnc([N-]S(=O)(=O)c2cccc(C#N)c2)c1 ZINC000090367930 454297542 /nfs/dbraw/zinc/29/75/42/454297542.db2.gz BOKBLSZWHFBIIF-UHFFFAOYSA-N -1 0 333.438 3.007 20 30 EGEDRM O=C([N-]S(=O)(=O)c1ccc2ccccc2c1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000073263663 454414172 /nfs/dbraw/zinc/41/41/72/454414172.db2.gz QYEDFHADNRRUJU-BMFZPTHFSA-N -1 0 331.393 3.053 20 30 EGEDRM N#CC(=C([O-])c1noc2c1CCCC2)c1ccc(C(F)(F)F)cn1 ZINC000048848405 454518887 /nfs/dbraw/zinc/51/88/87/454518887.db2.gz YELFFDYEORNZSB-NSHDSACASA-N -1 0 335.285 3.457 20 30 EGEDRM CCC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2F)c1 ZINC000135391539 454671415 /nfs/dbraw/zinc/67/14/15/454671415.db2.gz GDUFEIGQGNFBAP-UHFFFAOYSA-N -1 0 332.356 3.091 20 30 EGEDRM CCCn1c2ccccc2nc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000107035740 454738410 /nfs/dbraw/zinc/73/84/10/454738410.db2.gz LIPJAQWMMPNVQK-UHFFFAOYSA-N -1 0 340.408 3.119 20 30 EGEDRM CCn1ncc2ccc([N-]S(=O)(=O)c3cccc(C)c3C#N)cc21 ZINC000137341773 454776939 /nfs/dbraw/zinc/77/69/39/454776939.db2.gz VSDRIMKHTCOVDU-UHFFFAOYSA-N -1 0 340.408 3.037 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2nnn(-c3ccc(C)cc3)c2C)n1 ZINC000125058455 454794468 /nfs/dbraw/zinc/79/44/68/454794468.db2.gz VYOGXGQLOOOITL-AWEZNQCLSA-N -1 0 337.408 3.139 20 30 EGEDRM N#C[C@@H](C(=O)c1cnn2c1CCCC2)c1ccc(C(F)(F)F)cn1 ZINC000125580740 454833145 /nfs/dbraw/zinc/83/31/45/454833145.db2.gz QNECCTQXPORKCD-LLVKDONJSA-N -1 0 334.301 3.123 20 30 EGEDRM O=S(=O)([N-]c1cccc(C#Cc2ccccn2)c1)c1cccs1 ZINC000111995028 454878530 /nfs/dbraw/zinc/87/85/30/454878530.db2.gz GCXHIEUACFZIKF-UHFFFAOYSA-N -1 0 340.429 3.344 20 30 EGEDRM Cc1c([N-]c2nccc(C#N)c2[N+](=O)[O-])cnn1-c1ccccc1F ZINC000154346098 454887254 /nfs/dbraw/zinc/88/72/54/454887254.db2.gz QCQSHTPAIYOCMV-UHFFFAOYSA-N -1 0 338.302 3.238 20 30 EGEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cc(C2CCCC2)[nH]n1 ZINC000126830340 454920988 /nfs/dbraw/zinc/92/09/88/454920988.db2.gz XLJTYJGHKJNRDF-UHFFFAOYSA-N -1 0 330.413 3.048 20 30 EGEDRM CC(=O)c1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)cc1 ZINC000177991393 454924497 /nfs/dbraw/zinc/92/44/97/454924497.db2.gz AQIYHTJGRMTHBJ-UHFFFAOYSA-N -1 0 334.784 3.215 20 30 EGEDRM Cc1[n-]n(-c2ccc(C)cc2C)c(=O)c1C(=O)Nc1ccc(C#N)cc1 ZINC000155588651 455019531 /nfs/dbraw/zinc/01/95/31/455019531.db2.gz CJILLVGGBSQWEI-GOSISDBHSA-N -1 0 346.390 3.153 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc3[nH]ccc32)cc1Cl ZINC000171180593 455042206 /nfs/dbraw/zinc/04/22/06/455042206.db2.gz ZSZGDXWJJHLGEZ-UHFFFAOYSA-N -1 0 331.784 3.494 20 30 EGEDRM C=CCCCCCN(C)C(=O)c1cc(C)ccc1[N-]S(C)(=O)=O ZINC000128723526 455079635 /nfs/dbraw/zinc/07/96/35/455079635.db2.gz XTAKUGVFSCRUAL-UHFFFAOYSA-N -1 0 338.473 3.185 20 30 EGEDRM Cc1c(F)cccc1[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000130138547 455144222 /nfs/dbraw/zinc/14/42/22/455144222.db2.gz WJZKEJYFYPSARM-UHFFFAOYSA-N -1 0 326.299 3.085 20 30 EGEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccn1 ZINC000182946729 455197230 /nfs/dbraw/zinc/19/72/30/455197230.db2.gz ONXNEFVSGNHPRV-UHFFFAOYSA-N -1 0 341.314 3.081 20 30 EGEDRM C=CCOc1ccc(C(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1 ZINC000237755756 455214825 /nfs/dbraw/zinc/21/48/25/455214825.db2.gz KWCSEEIFMVLBMD-KDOFPFPSSA-N -1 0 339.391 3.443 20 30 EGEDRM COCc1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C#N)c1 ZINC000183392986 455286814 /nfs/dbraw/zinc/28/68/14/455286814.db2.gz LPROGUDOMZVSHC-UHFFFAOYSA-N -1 0 336.800 3.159 20 30 EGEDRM C=C(C)CN(C)[C@@H](C)c1nc(=O)c2c(C)c(C(=O)OCC)sc2[nH]1 ZINC000181289590 455313679 /nfs/dbraw/zinc/31/36/79/455313679.db2.gz QHZIKXVBUMYZDV-NSHDSACASA-N -1 0 349.456 3.039 20 30 EGEDRM CC(C)(C)c1[n-]n(CCOc2ccccc2C#N)c(=O)c1CCC#N ZINC000181688831 455371969 /nfs/dbraw/zinc/37/19/69/455371969.db2.gz SMUYRWVOLSZGRN-UHFFFAOYSA-N -1 0 338.411 3.293 20 30 EGEDRM N#CC(=C([O-])c1cc(F)cc2nccnc21)c1cnc2ccccc2n1 ZINC000190935553 455409630 /nfs/dbraw/zinc/40/96/30/455409630.db2.gz WHZXHALBLJPKJR-CYBMUJFWSA-N -1 0 343.321 3.202 20 30 EGEDRM Cc1ccc([N+](=O)[O-])cc1C([O-])=C(C#N)c1cnc2ccccc2n1 ZINC000190951743 455413441 /nfs/dbraw/zinc/41/34/41/455413441.db2.gz GVUOEGGUYUCPOC-CQSZACIVSA-N -1 0 332.319 3.337 20 30 EGEDRM C[C@H](CC(=O)Nc1nc(C#N)c(C#N)[n-]1)c1ccccc1C(F)(F)F ZINC000175295863 455435697 /nfs/dbraw/zinc/43/56/97/455435697.db2.gz QYXJFHMZHQRBHZ-SECBINFHSA-N -1 0 347.300 3.304 20 30 EGEDRM Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2O[C@H](C)C#N)s1 ZINC000292239131 455604843 /nfs/dbraw/zinc/60/48/43/455604843.db2.gz BYPXWJGQDFZAKR-LLVKDONJSA-N -1 0 336.438 3.457 20 30 EGEDRM CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2c[nH]c3ncccc32)cc1 ZINC000194020590 455792599 /nfs/dbraw/zinc/79/25/99/455792599.db2.gz WVWFECFQJPFCJK-UHFFFAOYSA-N -1 0 340.408 3.165 20 30 EGEDRM N#C[C@]1(C(=O)NCc2cccc(Br)c2O)CC12CCCC2 ZINC000296525698 455963031 /nfs/dbraw/zinc/96/30/31/455963031.db2.gz AOXBBJBAMJXWGF-INIZCTEOSA-N -1 0 349.228 3.245 20 30 EGEDRM COc1ccc(OC(F)F)c(NC(=O)c2ccc(C#N)c([O-])c2)c1 ZINC000188314778 456041871 /nfs/dbraw/zinc/04/18/71/456041871.db2.gz CVGIHKYBKOLLGI-UHFFFAOYSA-N -1 0 334.278 3.126 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2ccccc2NCC(F)(F)F)cc1[O-] ZINC000188359222 456050468 /nfs/dbraw/zinc/05/04/68/456050468.db2.gz BAOYXPRDUQLGLC-UHFFFAOYSA-N -1 0 335.285 3.490 20 30 EGEDRM C=CCOC[C@H](NC(=O)CC1CCC(c2ccccc2)CC1)C(=O)[O-] ZINC000263082301 456088793 /nfs/dbraw/zinc/08/87/93/456088793.db2.gz SBPBRDQRUUHFJD-VJFUWPCTSA-N -1 0 345.439 3.123 20 30 EGEDRM CC(C)(C#N)c1ccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000337238142 456340331 /nfs/dbraw/zinc/34/03/31/456340331.db2.gz CXXNYSGTGPEVSY-UHFFFAOYSA-N -1 0 325.324 3.354 20 30 EGEDRM C=CCOc1cccc([N-]S(=O)(=O)c2cccc(C)c2C#N)c1 ZINC000343011086 456355894 /nfs/dbraw/zinc/35/58/94/456355894.db2.gz MCGFQGWXBNCESE-UHFFFAOYSA-N -1 0 328.393 3.232 20 30 EGEDRM N#Cc1cccc(CSc2n[n-]c(=NCc3ccco3)s2)c1F ZINC000353222020 456570664 /nfs/dbraw/zinc/57/06/64/456570664.db2.gz SNIVLAOHZFITMP-UHFFFAOYSA-N -1 0 346.412 3.468 20 30 EGEDRM Cc1cc(C#N)ccc1Oc1ccc(C(=O)N=c2cccn[n-]2)cc1 ZINC000340880086 456736853 /nfs/dbraw/zinc/73/68/53/456736853.db2.gz OZHDZVNTWNQKSY-UHFFFAOYSA-N -1 0 330.347 3.123 20 30 EGEDRM CN(c1ccccc1[N-]S(=O)(=O)c1ccc(C#N)o1)C1CCCC1 ZINC000340955010 456782662 /nfs/dbraw/zinc/78/26/62/456782662.db2.gz MHMQRZFCJXATQH-UHFFFAOYSA-N -1 0 345.424 3.331 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2ccccc2Oc2cnn(C)c2)n1 ZINC000338628506 456846236 /nfs/dbraw/zinc/84/62/36/456846236.db2.gz WAJWXHNBPYSKOI-AWEZNQCLSA-N -1 0 338.392 3.467 20 30 EGEDRM Cc1sc2ncc(C([O-])=Nc3scnc3C3CC3)c(=O)n2c1C ZINC000329214971 456855249 /nfs/dbraw/zinc/85/52/49/456855249.db2.gz LZCPEKBJPFNNCQ-UHFFFAOYSA-N -1 0 346.437 3.343 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2csc(C(C)C)n2)n1 ZINC000338866260 456864660 /nfs/dbraw/zinc/86/46/60/456864660.db2.gz UORHTBQLMBUFGQ-SECBINFHSA-N -1 0 349.437 3.390 20 30 EGEDRM Cc1ccc2ncc(/C([O-])=N/[C@@H]3CC[C@@H]4CCC[C@@H]4C3)c(=O)n2c1 ZINC000329640056 456919390 /nfs/dbraw/zinc/91/93/90/456919390.db2.gz ZOAVTSDULXLDEZ-RRFJBIMHSA-N -1 0 325.412 3.276 20 30 EGEDRM N#Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)COC2 ZINC000353818629 456921458 /nfs/dbraw/zinc/92/14/58/456921458.db2.gz WYANIEZDVSOYHD-UHFFFAOYSA-N -1 0 334.784 3.043 20 30 EGEDRM N#Cc1cnc(C(=O)Nc2cc(F)cc(Cl)c2[O-])c(Cl)c1 ZINC000353898607 456956537 /nfs/dbraw/zinc/95/65/37/456956537.db2.gz SVWNFVVRDOIUDW-UHFFFAOYSA-N -1 0 326.114 3.357 20 30 EGEDRM N#CCc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc1 ZINC000345797545 456995323 /nfs/dbraw/zinc/99/53/23/456995323.db2.gz HYFIENGECZSWTN-OAHLLOKOSA-N -1 0 346.745 3.101 20 30 EGEDRM C=CCN(Cc1ccccc1F)C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000345811226 456997560 /nfs/dbraw/zinc/99/75/60/456997560.db2.gz WSYDLLDPQBHPNM-UHFFFAOYSA-N -1 0 343.354 3.118 20 30 EGEDRM C[C@H](N=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1)c1ccc(C#N)cc1 ZINC000362739505 457071467 /nfs/dbraw/zinc/07/14/67/457071467.db2.gz BEEPTVHCNPCKTN-NSHDSACASA-N -1 0 335.323 3.111 20 30 EGEDRM C=C(C)CN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000359414196 457081778 /nfs/dbraw/zinc/08/17/78/457081778.db2.gz GPEXZWVTJAFCBT-UHFFFAOYSA-N -1 0 349.408 3.053 20 30 EGEDRM CS[C@H](C/N=C(/[O-])c1cnc2sc(C)cn2c1=O)C(C)(C)C ZINC000330833178 457091889 /nfs/dbraw/zinc/09/18/89/457091889.db2.gz RSRGANLGUUPNOQ-LLVKDONJSA-N -1 0 339.486 3.147 20 30 EGEDRM CCC1(CNC(=O)N=c2[n-]nc(CC(F)(F)F)s2)CCCC1 ZINC000331154634 457140137 /nfs/dbraw/zinc/14/01/37/457140137.db2.gz ISUOFIFJMIQOAA-UHFFFAOYSA-N -1 0 336.383 3.361 20 30 EGEDRM C=CC[C@@H]1N(C(=O)N=c2nc([C@H](C)OC)[n-]s2)CCCC1(C)C ZINC000350719523 457199925 /nfs/dbraw/zinc/19/99/25/457199925.db2.gz UABCKUAMLDRJDW-RYUDHWBXSA-N -1 0 338.477 3.266 20 30 EGEDRM Cc1c2nc([N-]S(=O)(=O)c3ccc(C#N)o3)sc2ccc1F ZINC000342441343 457305406 /nfs/dbraw/zinc/30/54/06/457305406.db2.gz DLLZLUHIMNNSKU-UHFFFAOYSA-N -1 0 337.357 3.009 20 30 EGEDRM CCCCOc1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cn1 ZINC000355830105 457421023 /nfs/dbraw/zinc/42/10/23/457421023.db2.gz KLDZTGXCIQRNRW-UHFFFAOYSA-N -1 0 345.424 3.127 20 30 EGEDRM Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2)cc1F ZINC000357474130 457551078 /nfs/dbraw/zinc/55/10/78/457551078.db2.gz LMMGZXSUTLNSGA-UHFFFAOYSA-N -1 0 326.299 3.085 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(C3CC3)ccn2)cc1Cl ZINC000357527252 457579748 /nfs/dbraw/zinc/57/97/48/457579748.db2.gz GTYWEJPUZFKMPB-UHFFFAOYSA-N -1 0 333.800 3.285 20 30 EGEDRM N#CC(=C([O-])c1cccnc1OCc1ccccc1F)c1ccncn1 ZINC000361333383 457696667 /nfs/dbraw/zinc/69/66/67/457696667.db2.gz BZOVRWRIOVDXDL-HNNXBMFYSA-N -1 0 348.337 3.080 20 30 EGEDRM N#CC(=C([O-])c1ccc(OC(F)F)cn1)c1cnc2ccccc2n1 ZINC000361522273 457768317 /nfs/dbraw/zinc/76/83/17/457768317.db2.gz APTMXOTUZYPDBZ-NSHDSACASA-N -1 0 340.289 3.116 20 30 EGEDRM CCOc1nc(C)ccc1C([O-])=C(C#N)c1cnc2ccccc2n1 ZINC000361531002 457775352 /nfs/dbraw/zinc/77/53/52/457775352.db2.gz NOHUHVFPQWKPPV-CQSZACIVSA-N -1 0 332.363 3.222 20 30 EGEDRM Cn1nc2ccccc2c1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000362173804 458039457 /nfs/dbraw/zinc/03/94/57/458039457.db2.gz ZDRQZWKYFJEJTQ-GFCCVEGCSA-N -1 0 344.296 3.477 20 30 EGEDRM C=CCN=c1[n-]nc(SCc2ccn(-c3ccccc3F)n2)s1 ZINC000445592532 458066699 /nfs/dbraw/zinc/06/66/99/458066699.db2.gz QMOLUBNNWFRUBX-UHFFFAOYSA-N -1 0 347.444 3.175 20 30 EGEDRM C=CCn1c(=N)[n-]nc1SCc1nc(-c2ccccc2)cs1 ZINC000435780844 458203121 /nfs/dbraw/zinc/20/31/21/458203121.db2.gz GTWINAMNYKJXIS-UHFFFAOYSA-N -1 0 329.454 3.292 20 30 EGEDRM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3csc(-c4ccoc4)n3)nc1-2 ZINC000429603896 458352074 /nfs/dbraw/zinc/35/20/74/458352074.db2.gz HZJOYUMATHYCGM-LLVKDONJSA-N -1 0 349.375 3.473 20 30 EGEDRM CC(C)(C#N)CNC(=O)c1cc(Br)cc(Cl)c1[O-] ZINC000436717636 458367888 /nfs/dbraw/zinc/36/78/88/458367888.db2.gz UJOWXUXKFVKOQM-UHFFFAOYSA-N -1 0 331.597 3.088 20 30 EGEDRM C=CCC1(C(=O)Nc2cc(S(=O)(=O)CC)ccc2[O-])CCCC1 ZINC000450288739 458444029 /nfs/dbraw/zinc/44/40/29/458444029.db2.gz AKWFPRGYWBJUOX-UHFFFAOYSA-N -1 0 337.441 3.261 20 30 EGEDRM N#C[C@@H]1CC[C@@H](Sc2n[n-]c(=NCCc3cccs3)s2)C1 ZINC000450765650 458456408 /nfs/dbraw/zinc/45/64/08/458456408.db2.gz XNTYJZBEXXGQQQ-ZYHUDNBSSA-N -1 0 336.511 3.460 20 30 EGEDRM Cc1cccc([C@@H]([N-]S(=O)(=O)CC2(CC#N)CC2)C(F)(F)F)c1 ZINC000451380501 458475081 /nfs/dbraw/zinc/47/50/81/458475081.db2.gz CIOKYDUFNDWYAG-CYBMUJFWSA-N -1 0 346.374 3.212 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2ccc(NC(=O)C(C)(C)C)nc2)n1 ZINC000453588429 458536671 /nfs/dbraw/zinc/53/66/71/458536671.db2.gz LOEWILLTUYRXHX-GFCCVEGCSA-N -1 0 342.424 3.321 20 30 EGEDRM Cn1ncc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)c1C(F)F ZINC000515026133 458804500 /nfs/dbraw/zinc/80/45/00/458804500.db2.gz SAIFPCNJABOOGR-MRVPVSSYSA-N -1 0 344.243 3.262 20 30 EGEDRM CC(C)(C)OC(=O)Nc1ccc(C([O-])=C(C#N)c2ccncn2)cc1 ZINC000495392328 458847033 /nfs/dbraw/zinc/84/70/33/458847033.db2.gz BFHAHZDIEIMACW-CQSZACIVSA-N -1 0 338.367 3.314 20 30 EGEDRM CCc1nc(C)c(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)s1 ZINC000530947059 458848397 /nfs/dbraw/zinc/84/83/97/458848397.db2.gz WLOBYXOPIDXAKC-JTQLQIEISA-N -1 0 325.397 3.084 20 30 EGEDRM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(C)c1C#N ZINC000441376903 458931706 /nfs/dbraw/zinc/93/17/06/458931706.db2.gz AYVDPKDLBSHODY-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM Cc1[nH]nc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1-c1ccccc1 ZINC000519546766 458961633 /nfs/dbraw/zinc/96/16/33/458961633.db2.gz CFOIEILVOWYNEM-UHFFFAOYSA-N -1 0 338.392 3.058 20 30 EGEDRM CCO[C@H](C)c1ncc(C([O-])=C(C#N)c2cc(C)nc(C)n2)s1 ZINC000442645149 459020300 /nfs/dbraw/zinc/02/03/00/459020300.db2.gz ILCVGGMFUSAMNP-PWSUYJOCSA-N -1 0 330.413 3.138 20 30 EGEDRM N#CCc1ccnc(NC(=O)c2c[nH]nc2-c2ccc(Cl)cc2)c1 ZINC000532181671 459044004 /nfs/dbraw/zinc/04/40/04/459044004.db2.gz JJTLKFQNFRZXJY-UHFFFAOYSA-N -1 0 337.770 3.443 20 30 EGEDRM C=CCC[C@@H](NC(=O)N[C@H](C)c1cccc(OC(C)C)c1)C(=O)[O-] ZINC000520352552 459051708 /nfs/dbraw/zinc/05/17/08/459051708.db2.gz JBAIRQPLFKHCIW-CZUORRHYSA-N -1 0 334.416 3.253 20 30 EGEDRM O=C([O-])c1ccc(CNC(=O)c2ccc(C#Cc3ccccc3)cc2)o1 ZINC000557979649 459122122 /nfs/dbraw/zinc/12/21/22/459122122.db2.gz YIRLFEPAQQRALD-UHFFFAOYSA-N -1 0 345.354 3.308 20 30 EGEDRM Cc1c(C([O-])=C(C#N)c2nc3ccccc3o2)nnn1CC1CCCC1 ZINC000521172594 459125976 /nfs/dbraw/zinc/12/59/76/459125976.db2.gz CRNOBWURWVLXLP-AWEZNQCLSA-N -1 0 349.394 3.408 20 30 EGEDRM C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)NCC1(C#N)CCCCC1 ZINC000594689899 459130721 /nfs/dbraw/zinc/13/07/21/459130721.db2.gz BFWLNUDUWVIVTI-HNNXBMFYSA-N -1 0 343.427 3.145 20 30 EGEDRM Cc1ccc([C@H](NC(=O)NCC2(C#N)CCCCC2)C(=O)[O-])cc1C ZINC000594691181 459131883 /nfs/dbraw/zinc/13/18/83/459131883.db2.gz QYIGWPZPRJVYAT-INIZCTEOSA-N -1 0 343.427 3.202 20 30 EGEDRM CCCCOc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cn1 ZINC000479575986 459148802 /nfs/dbraw/zinc/14/88/02/459148802.db2.gz HBENQRVGSUUVSX-UHFFFAOYSA-N -1 0 345.424 3.241 20 30 EGEDRM CCCCOc1ccc([N-]S(=O)(=O)c2cccc(C)c2C#N)cn1 ZINC000479567459 459149735 /nfs/dbraw/zinc/14/97/35/459149735.db2.gz YAGQTHXMOJWVFS-UHFFFAOYSA-N -1 0 345.424 3.241 20 30 EGEDRM C=CCOc1ccc(CNC(=O)CC2(C(=O)[O-])CCCCC2)cc1 ZINC000568063210 459216991 /nfs/dbraw/zinc/21/69/91/459216991.db2.gz SPFFIQWKRQEPMZ-UHFFFAOYSA-N -1 0 331.412 3.293 20 30 EGEDRM C=CCOc1cccc([N-]S(=O)(=O)c2c(C)nn(C(C)C)c2C)c1 ZINC000522363001 459238869 /nfs/dbraw/zinc/23/88/69/459238869.db2.gz MABIBNZNEUTBEV-UHFFFAOYSA-N -1 0 349.456 3.446 20 30 EGEDRM CC(C)(C)OC(=O)NCCCCC=NN=c1[n-]ncc2ccccc21 ZINC000496620092 459261771 /nfs/dbraw/zinc/26/17/71/459261771.db2.gz BMRSFSPOSMAYAI-UHFFFAOYSA-N -1 0 343.431 3.144 20 30 EGEDRM CC(N=Nc1ccc(C(=O)[O-])c(F)c1)[C@H](C)NC(=O)OC(C)(C)C ZINC000496688717 459288048 /nfs/dbraw/zinc/28/80/48/459288048.db2.gz BZZVMTAAJZPSBO-VIFPVBQESA-N -1 0 339.367 3.225 20 30 EGEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(F)cc1OC1CCCC1 ZINC000591339151 459356661 /nfs/dbraw/zinc/35/66/61/459356661.db2.gz PXUKKLVGJRMXFE-ZDUSSCGKSA-N -1 0 326.393 3.191 20 30 EGEDRM Cn1nc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)c2c1CCCC2 ZINC000582767538 459423554 /nfs/dbraw/zinc/42/35/54/459423554.db2.gz LPLBJFKRKICIQQ-LBPRGKRZSA-N -1 0 348.328 3.203 20 30 EGEDRM CC(C)(C)OC(=O)N[C@H]1CCCC(N=Nc2ccc(C(=O)[O-])cn2)C1 ZINC000497180052 459475249 /nfs/dbraw/zinc/47/52/49/459475249.db2.gz RCHFHNOTHSFRKP-LBPRGKRZSA-N -1 0 348.403 3.015 20 30 EGEDRM C=CCn1c(-c2ccc(C)c(F)c2)n[n-]c1=Nc1c(C)nn(C)c1C ZINC000562030207 459504515 /nfs/dbraw/zinc/50/45/15/459504515.db2.gz YNUKKHUOIGSEKY-UHFFFAOYSA-N -1 0 340.406 3.094 20 30 EGEDRM Cc1ccc(Cc2n[n-]c(=NC(=O)c3ccc(C#N)s3)s2)cc1 ZINC000487244823 459527577 /nfs/dbraw/zinc/52/75/77/459527577.db2.gz KYDVXTATNVIOCY-UHFFFAOYSA-N -1 0 340.433 3.045 20 30 EGEDRM C=C[C@@H]1CCCCN1C(=O)N=c1[n-]nc(/C=C\c2ccco2)s1 ZINC000488941052 459555815 /nfs/dbraw/zinc/55/58/15/459555815.db2.gz LDKDDCIFFYETOZ-JLVNDZCYSA-N -1 0 330.413 3.296 20 30 EGEDRM C[S@@](=O)c1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cc1 ZINC000592399082 459592757 /nfs/dbraw/zinc/59/27/57/459592757.db2.gz LRSASNOCHNXDAD-WHEQGISXSA-N -1 0 330.434 3.248 20 30 EGEDRM CC(=O)c1ccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)o1 ZINC000562597015 459596448 /nfs/dbraw/zinc/59/64/48/459596448.db2.gz UPKNLGQYMTVLNM-GFCCVEGCSA-N -1 0 337.360 3.491 20 30 EGEDRM C#CC[NH+]1CCC(c2nc(-c3ccc(O)c4ccccc34)no2)CC1 ZINC000491166986 459601952 /nfs/dbraw/zinc/60/19/52/459601952.db2.gz VUACHBISEBXFAY-UHFFFAOYSA-N -1 0 333.391 3.408 20 30 EGEDRM C#C[C@@H](NC(=O)NCCCCCC(=O)[O-])c1ccc(Cl)cc1F ZINC000491709004 459658973 /nfs/dbraw/zinc/65/89/73/459658973.db2.gz OGAXWWBEENDJGG-CQSZACIVSA-N -1 0 340.782 3.098 20 30 EGEDRM C=C(C)CN(CC)S(=O)(=O)c1ccc2oc(C(=O)[O-])c(C)c2c1 ZINC000573561567 459697149 /nfs/dbraw/zinc/69/71/49/459697149.db2.gz OULPEUOWHCAVLZ-UHFFFAOYSA-N -1 0 337.397 3.026 20 30 EGEDRM C=CCCCN(C)c1nc(CN(C)C)nc2sc(C(=O)[O-])c(C)c21 ZINC000563206799 459738869 /nfs/dbraw/zinc/73/88/69/459738869.db2.gz IFJUAOGRVSOXJM-UHFFFAOYSA-N -1 0 348.472 3.162 20 30 EGEDRM CSc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cn1 ZINC000545148524 459803761 /nfs/dbraw/zinc/80/37/61/459803761.db2.gz PSHVWEPXMJJSPD-UHFFFAOYSA-N -1 0 339.829 3.129 20 30 EGEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000545293800 459821025 /nfs/dbraw/zinc/82/10/25/459821025.db2.gz GSVAMSBONZZPMF-UHFFFAOYSA-N -1 0 342.420 3.246 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cnc(C3CC3)s2)n1 ZINC000609256758 459931770 /nfs/dbraw/zinc/93/17/70/459931770.db2.gz SIOYYEIOPDVYJB-SECBINFHSA-N -1 0 347.421 3.144 20 30 EGEDRM Cn1ccc(C(=O)N=c2[n-]n(C(C)(C)C)cc2C#N)c1-c1ccccc1 ZINC000598816767 460048966 /nfs/dbraw/zinc/04/89/66/460048966.db2.gz ABHZMINHKYEIHW-UHFFFAOYSA-N -1 0 347.422 3.189 20 30 EGEDRM C[C@@H](CC#N)Sc1ccccc1NC(=O)c1noc2c1COCC2 ZINC000598933844 460094974 /nfs/dbraw/zinc/09/49/74/460094974.db2.gz KGDGITIYPBLDFF-NSHDSACASA-N -1 0 343.408 3.394 20 30 EGEDRM N#Cc1c[n-][nH]c1=NC(=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000610620259 460200055 /nfs/dbraw/zinc/20/00/55/460200055.db2.gz KTXJMWXPPGFSTG-INIZCTEOSA-N -1 0 334.404 3.175 20 30 EGEDRM N#Cc1ccc2c(c1)CC[C@H]2NC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000618900855 460213927 /nfs/dbraw/zinc/21/39/27/460213927.db2.gz ISWMKPGBNXSZLI-OAHLLOKOSA-N -1 0 330.746 3.474 20 30 EGEDRM COc1c(Cl)cccc1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000619462290 460363538 /nfs/dbraw/zinc/36/35/38/460363538.db2.gz ZRXLVINMNXONDN-UHFFFAOYSA-N -1 0 336.800 3.215 20 30 EGEDRM Cc1nccc(-c2cccc(NC(=O)c3cc(O)cc(C#N)c3)c2)n1 ZINC000616031518 460454870 /nfs/dbraw/zinc/45/48/70/460454870.db2.gz FCPPNJDTPAUZKE-UHFFFAOYSA-N -1 0 330.347 3.282 20 30 EGEDRM C[C@@H](S[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCC2)C(=O)[O-] ZINC000601985547 460971733 /nfs/dbraw/zinc/97/17/33/460971733.db2.gz YGZNKLBUDVUZDQ-DTWKUNHWSA-N -1 0 338.454 3.032 20 30 EGEDRM C=CCOc1c(Cl)cc(CN=c2[n-]nc(CCC)o2)cc1OC ZINC000630952520 461434047 /nfs/dbraw/zinc/43/40/47/461434047.db2.gz ICZPAKOVXMWCQK-UHFFFAOYSA-N -1 0 337.807 3.283 20 30 EGEDRM C=C(CNC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1ccccc1 ZINC000655877680 461518132 /nfs/dbraw/zinc/51/81/32/461518132.db2.gz AQPFYUYYWOFFNH-VNQPRFMTSA-N -1 0 330.428 3.134 20 30 EGEDRM C=CCC[C@@H](NC(=O)NCc1cccc(Cl)c1Cl)C(=O)[O-] ZINC000663271595 461538143 /nfs/dbraw/zinc/53/81/43/461538143.db2.gz OPQORJGVCCPLLY-LLVKDONJSA-N -1 0 331.199 3.212 20 30 EGEDRM Cc1cccc(-n2cc(C([O-])=C(C#N)c3nc(C4CC4)cs3)nn2)c1 ZINC000647377293 461666939 /nfs/dbraw/zinc/66/69/39/461666939.db2.gz AXZPKDZNRYZNJE-AWEZNQCLSA-N -1 0 349.419 3.400 20 30 EGEDRM Cn1cc(C([O-])=C(C#N)c2nc(C3CC3)cs2)c(-c2ccncc2)n1 ZINC000647378801 461668837 /nfs/dbraw/zinc/66/88/37/461668837.db2.gz BLVJURHEHWFXRW-ZDUSSCGKSA-N -1 0 349.419 3.306 20 30 EGEDRM C=CCCNC(=O)C[C@@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000656485725 461762105 /nfs/dbraw/zinc/76/21/05/461762105.db2.gz FEVYKSZICYZFHV-OAHLLOKOSA-N -1 0 330.211 3.418 20 30 EGEDRM C=C(C)COc1cccc(NC(=O)N2CCC(C)(C(=O)[O-])CC2)c1 ZINC000647695746 461806215 /nfs/dbraw/zinc/80/62/15/461806215.db2.gz SXSRMBUFQUBXRB-UHFFFAOYSA-N -1 0 332.400 3.360 20 30 EGEDRM CCCOc1cccc(C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000048503540 520438407 /nfs/dbraw/zinc/43/84/07/520438407.db2.gz DZVPZZIEYDVJNU-UHFFFAOYSA-N -1 0 344.392 3.041 20 30 EGEDRM CCCc1cnc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)s1 ZINC000186646396 535445045 /nfs/dbraw/zinc/44/50/45/535445045.db2.gz MOLLSXCNGJQEQX-UHFFFAOYSA-N -1 0 341.845 3.421 20 30 EGEDRM Cc1nn2cccnc2c1C([O-])=C(C#N)c1nc(C(C)C)cs1 ZINC000080457049 546598601 /nfs/dbraw/zinc/59/86/01/546598601.db2.gz PVTQWDRAIPALLJ-LLVKDONJSA-N -1 0 325.397 3.108 20 30 EGEDRM Cc1c(C([O-])=C(C#N)c2nc3ccccc3o2)cnn1-c1ccccn1 ZINC000179008749 547041981 /nfs/dbraw/zinc/04/19/81/547041981.db2.gz WBEGNKCDONYCCK-CYBMUJFWSA-N -1 0 343.346 3.207 20 30 EGEDRM C=CCOc1ccc(C(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC000193091626 547210631 /nfs/dbraw/zinc/21/06/31/547210631.db2.gz RMDJQFWXUJOTCN-FQEVSTJZSA-N -1 0 339.391 3.024 20 30 EGEDRM COc1cc(C=NNc2cccc3cnccc32)cc([N+](=O)[O-])c1[O-] ZINC000728432304 574748873 /nfs/dbraw/zinc/74/88/73/574748873.db2.gz QUDLUHKUOANJPY-UHFFFAOYSA-N -1 0 338.323 3.303 20 30 EGEDRM C[C@@H](Oc1cccc(C(=O)/C=C/c2cccnc2Cl)c1)C(=O)[O-] ZINC000728697386 574767294 /nfs/dbraw/zinc/76/72/94/574767294.db2.gz OUPMLAAKGKGYFL-WSKFYRRCSA-N -1 0 331.755 3.483 20 30 EGEDRM COc1ccc(/C=C2\Oc3cc(O)cc(C)c3C2=O)cc1[N+](=O)[O-] ZINC000730149903 574925638 /nfs/dbraw/zinc/92/56/38/574925638.db2.gz LYRNPPWLBDLDRV-CHHVJCJISA-N -1 0 327.292 3.234 20 30 EGEDRM O=C([O-])c1cc(C(=O)/C=C\c2ccc(N3CCOCC3)cc2)cs1 ZINC000730149149 574925960 /nfs/dbraw/zinc/92/59/60/574925960.db2.gz UAHTYLAWFMQYFR-UTCJRWHESA-N -1 0 343.404 3.179 20 30 EGEDRM C#CCOc1cccc([N-]S(=O)(=O)c2ccc(C)cc2Cl)c1 ZINC000730995231 575042671 /nfs/dbraw/zinc/04/26/71/575042671.db2.gz CHQPMTDXNWXTFU-UHFFFAOYSA-N -1 0 335.812 3.461 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2coc3ccccc32)n1 ZINC000733599918 575371382 /nfs/dbraw/zinc/37/13/82/575371382.db2.gz JQNNISRYENBZLM-LBPRGKRZSA-N -1 0 340.360 3.231 20 30 EGEDRM CC(CSC(C)(C)C)N=Nc1oc(C(C)C)nc1-c1nnn[n-]1 ZINC000736046652 575757087 /nfs/dbraw/zinc/75/70/87/575757087.db2.gz LXAUAVWPAUWWBP-UHFFFAOYSA-N -1 0 337.453 3.298 20 30 EGEDRM C#CCOc1cc(F)ccc1NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000736075824 575895944 /nfs/dbraw/zinc/89/59/44/575895944.db2.gz IBTKKXRLJBPGKB-UHFFFAOYSA-N -1 0 341.338 3.107 20 30 EGEDRM C=CCN(Cc1ccc(Cl)s1)C(=O)CCCN(C)C(=O)[O-] ZINC000736108422 575896924 /nfs/dbraw/zinc/89/69/24/575896924.db2.gz DZCFCLKRQUKCKM-UHFFFAOYSA-N -1 0 330.837 3.306 20 30 EGEDRM C=CCN(Cc1cccs1)C(=O)[C@H](C)S[C@@H](C)CC(=O)[O-] ZINC000736108942 575897563 /nfs/dbraw/zinc/89/75/63/575897563.db2.gz XCZAXPZXGNGOMR-RYUDHWBXSA-N -1 0 327.471 3.248 20 30 EGEDRM C#CCOc1cccc(NC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)c1 ZINC000736089230 575898117 /nfs/dbraw/zinc/89/81/17/575898117.db2.gz ICBJGPASFXHDPH-UHFFFAOYSA-N -1 0 338.363 3.061 20 30 EGEDRM C#CCOc1cccc(NC(=O)Nc2cccc(NC(=O)[O-])c2)c1 ZINC000736089215 575898261 /nfs/dbraw/zinc/89/82/61/575898261.db2.gz HUGSKYZLNGZUAK-UHFFFAOYSA-N -1 0 325.324 3.433 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1cnccc1C ZINC000736114717 575900712 /nfs/dbraw/zinc/90/07/12/575900712.db2.gz OJVLGTOPTAHUMD-UHFFFAOYSA-N -1 0 327.336 3.045 20 30 EGEDRM CC(C)C[C@H](C/N=C/c1cc(Br)ccc1O)C(=O)[O-] ZINC000736403191 575951636 /nfs/dbraw/zinc/95/16/36/575951636.db2.gz BJRTXYZBVILBHP-PFJSLNBISA-N -1 0 328.206 3.321 20 30 EGEDRM CCO[C@H](C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccccc1 ZINC000737157727 576126600 /nfs/dbraw/zinc/12/66/00/576126600.db2.gz WUZHTHNVOFVBNX-SJORKVTESA-N -1 0 339.347 3.005 20 30 EGEDRM CN(CCCC(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000737418793 576224622 /nfs/dbraw/zinc/22/46/22/576224622.db2.gz RTLLJGBWJKILAX-LBPRGKRZSA-N -1 0 344.198 3.064 20 30 EGEDRM CN(Cc1ccc(NCCOc2cccc(C#N)c2)cc1)C(=O)[O-] ZINC000737485729 576237048 /nfs/dbraw/zinc/23/70/48/576237048.db2.gz DDSJAGVDCBHJQP-UHFFFAOYSA-N -1 0 325.368 3.159 20 30 EGEDRM Cc1cc2ccccc2n1CC(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000738479474 576329990 /nfs/dbraw/zinc/32/99/90/576329990.db2.gz QYSWRRZVGUCDHQ-LJQANCHMSA-N -1 0 348.358 3.191 20 30 EGEDRM Cc1ccccc1[C@H]1CN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CCO1 ZINC000738769451 576360287 /nfs/dbraw/zinc/36/02/87/576360287.db2.gz PSWWQHOTVDJLLK-RTBURBONSA-N -1 0 336.391 3.066 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@@H](C)c2ccsc2)n1 ZINC000738827951 576363432 /nfs/dbraw/zinc/36/34/32/576363432.db2.gz SMWPKAASNVPUQR-JQWIXIFHSA-N -1 0 334.422 3.036 20 30 EGEDRM N#C[C@H](COC(=O)c1cccc(NC(=O)[O-])c1)Cc1ccc(F)cc1 ZINC000739075641 576376994 /nfs/dbraw/zinc/37/69/94/576376994.db2.gz ULRMIFOMATZKCC-CYBMUJFWSA-N -1 0 342.326 3.455 20 30 EGEDRM N#CCN(CC(=O)[O-])C(=O)c1sc2cccc(Cl)c2c1Cl ZINC000739086028 576377247 /nfs/dbraw/zinc/37/72/47/576377247.db2.gz NOKXOLWGCDMDJZ-UHFFFAOYSA-N -1 0 343.191 3.258 20 30 EGEDRM N#CCc1cccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000739090910 576377456 /nfs/dbraw/zinc/37/74/56/576377456.db2.gz ABYKKTRYRDIGSH-OAHLLOKOSA-N -1 0 329.739 3.389 20 30 EGEDRM N#Cc1ccc(-c2ccc(OC(=O)CCSCC(=O)[O-])cc2)cc1 ZINC000739099027 576377884 /nfs/dbraw/zinc/37/78/84/576377884.db2.gz OYKHCYRDCPWFKY-UHFFFAOYSA-N -1 0 341.388 3.339 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)C[C@H]2CCc3ccccc32)C(=O)[O-])cc1 ZINC000739110586 576378448 /nfs/dbraw/zinc/37/84/48/576378448.db2.gz RFCNQQGYPGKWEU-APWZRJJASA-N -1 0 335.359 3.347 20 30 EGEDRM N#Cc1ccc([C@@H](Nc2ccc(NC(=O)C3CC3)cc2)C(=O)[O-])cc1 ZINC000739110268 576378460 /nfs/dbraw/zinc/37/84/60/576378460.db2.gz PHMPNQSNSSHPPB-QGZVFWFLSA-N -1 0 335.363 3.145 20 30 EGEDRM N#Cc1ccc([C@@H](OC(=O)C[C@@H]2CCc3ccccc32)C(=O)[O-])cc1 ZINC000739110588 576378490 /nfs/dbraw/zinc/37/84/90/576378490.db2.gz RFCNQQGYPGKWEU-QFBILLFUSA-N -1 0 335.359 3.347 20 30 EGEDRM N#Cc1ccc(NCCc2ccc(NC(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000739121355 576379112 /nfs/dbraw/zinc/37/91/12/576379112.db2.gz OCLXJAZHZRBECZ-UHFFFAOYSA-N -1 0 326.312 3.211 20 30 EGEDRM N#Cc1cccc(Oc2ccc(NC(=O)CCCNC(=O)[O-])cc2)c1 ZINC000739139103 576379548 /nfs/dbraw/zinc/37/95/48/576379548.db2.gz DLONXOZLALMXJV-UHFFFAOYSA-N -1 0 339.351 3.337 20 30 EGEDRM N#Cc1nnc2ccccc2c1Nc1ccc(OCCC(=O)[O-])cc1 ZINC000739145926 576379733 /nfs/dbraw/zinc/37/97/33/576379733.db2.gz WTAOFNUTHBTIKB-UHFFFAOYSA-N -1 0 334.335 3.099 20 30 EGEDRM O=C([O-])COc1ccc(C(=O)/C=C/C2=Cc3ccccc3OC2)cc1 ZINC000739819882 576507480 /nfs/dbraw/zinc/50/74/80/576507480.db2.gz ZZHZTBLTUAHKOS-BJMVGYQFSA-N -1 0 336.343 3.365 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@@H](C)c2cccc(C)c2)n1 ZINC000740346140 576578042 /nfs/dbraw/zinc/57/80/42/576578042.db2.gz FBSOFNKTUBOHOF-DZGCQCFKSA-N -1 0 342.420 3.283 20 30 EGEDRM CCCCCCCCOCC(=O)[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000744002282 576818773 /nfs/dbraw/zinc/81/87/73/576818773.db2.gz KMRBMQJRFZYHMP-UHFFFAOYSA-N -1 0 345.436 3.008 20 30 EGEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1cnc2ccsc2c1 ZINC000744027361 576819132 /nfs/dbraw/zinc/81/91/32/576819132.db2.gz RLQVXMVSFQWEOO-CYBMUJFWSA-N -1 0 327.409 3.068 20 30 EGEDRM C=CCc1cc(CNc2cccc(CC(=O)[O-])c2)cc(OC)c1O ZINC000817685760 597137609 /nfs/dbraw/zinc/13/76/09/597137609.db2.gz DVDKUJGGGCWBKS-UHFFFAOYSA-N -1 0 327.380 3.369 20 30 EGEDRM C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000817681075 597301810 /nfs/dbraw/zinc/30/18/10/597301810.db2.gz NMIJHSIVMPRJSH-UHFFFAOYSA-N -1 0 349.390 3.154 20 30 EGEDRM Cc1ccc(Cl)c2ccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])nc12 ZINC000821083387 597610252 /nfs/dbraw/zinc/61/02/52/597610252.db2.gz DNWDSXFNFLVPJT-INIZCTEOSA-N -1 0 331.759 3.140 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 ZINC000819856558 598224756 /nfs/dbraw/zinc/22/47/56/598224756.db2.gz JQUOCIORXLUCRV-QGZVFWFLSA-N -1 0 349.818 3.273 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000819857114 598225060 /nfs/dbraw/zinc/22/50/60/598225060.db2.gz RRJFGDXOBFBHCW-LJQANCHMSA-N -1 0 349.346 3.294 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000819849002 598229962 /nfs/dbraw/zinc/22/99/62/598229962.db2.gz WQHARRUUZKBOEL-LBPRGKRZSA-N -1 0 345.580 3.046 20 30 EGEDRM Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC000820979606 598230411 /nfs/dbraw/zinc/23/04/11/598230411.db2.gz ABWAMSMYTFBNGZ-IFXJQAMLSA-N -1 0 343.427 3.317 20 30 EGEDRM C[C@@H](OC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccc(C#N)cc1 ZINC000827845045 601132973 /nfs/dbraw/zinc/13/29/73/601132973.db2.gz WMJNWPSUIYWXTO-SNVBAGLBSA-N -1 0 340.291 3.083 20 30 EGEDRM C[C@H](C(=O)[O-])[C@H](NC(=O)/C=C\c1ccccc1C#N)c1ccccc1 ZINC000826027529 601170185 /nfs/dbraw/zinc/17/01/85/601170185.db2.gz XHDABQJNCVJHBY-IOMGTLSNSA-N -1 0 334.375 3.150 20 30 EGEDRM CC(C)c1csc([C@@H](C#N)C(=O)c2ccc(OCC(=O)[O-])cc2)n1 ZINC000827140105 601194463 /nfs/dbraw/zinc/19/44/63/601194463.db2.gz YMZGAPBQOLZNPG-ZDUSSCGKSA-N -1 0 344.392 3.220 20 30 EGEDRM Cc1cccc2ncc(/C=C\C(=O)c3ccc(OCC(=O)[O-])cc3)n21 ZINC000832975016 601200378 /nfs/dbraw/zinc/20/03/78/601200378.db2.gz TXSGEUHYAPRMKA-YFHOEESVSA-N -1 0 336.347 3.002 20 30 EGEDRM N#Cc1cccc([C@H](OC(=O)c2cc3c(s2)CCC3)C(=O)[O-])c1 ZINC000833077606 601343921 /nfs/dbraw/zinc/34/39/21/601343921.db2.gz XHYFQQDEWPNGTJ-HNNXBMFYSA-N -1 0 327.361 3.091 20 30 EGEDRM CCc1ccc(CCC(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000830244922 601344869 /nfs/dbraw/zinc/34/48/69/601344869.db2.gz LRSFQTQWWJLSNL-LJQANCHMSA-N -1 0 337.375 3.422 20 30 EGEDRM Cc1ccc(O[C@@H](C)C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000832952743 601347613 /nfs/dbraw/zinc/34/76/13/601347613.db2.gz BVKAKZRVMGYDCA-SUMWQHHRSA-N -1 0 339.347 3.003 20 30 EGEDRM N#Cc1cccc([C@@H](OC(=O)c2cc3ccccc3cc2O)C(=O)[O-])c1 ZINC000833076855 601347836 /nfs/dbraw/zinc/34/78/36/601347836.db2.gz IWKHCDAZYFYGPB-GOSISDBHSA-N -1 0 347.326 3.400 20 30 EGEDRM COc1ccc([C@@H](C)C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000832216871 601352793 /nfs/dbraw/zinc/35/27/93/601352793.db2.gz ULYYPYVUTRPHFU-SJKOYZFVSA-N -1 0 339.347 3.039 20 30 EGEDRM CC[C@H](Nc1ccccc1)C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000828998424 601353533 /nfs/dbraw/zinc/35/35/33/601353533.db2.gz ABFJWFVPIOSCBH-DLBZAZTESA-N -1 0 338.363 3.118 20 30 EGEDRM CCOc1cc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)ccc1C ZINC000830037640 601353942 /nfs/dbraw/zinc/35/39/42/601353942.db2.gz GIXIULWGVDSJDA-KRWDZBQOSA-N -1 0 339.347 3.248 20 30 EGEDRM C[C@@H](C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1)c1cccc(F)c1 ZINC000826061327 601354460 /nfs/dbraw/zinc/35/44/60/601354460.db2.gz KVUPTBORBJKRIX-BZNIZROVSA-N -1 0 327.311 3.170 20 30 EGEDRM N#Cc1cccc([C@H](OC(=O)[C@H]2C[C@@]23CCc2ccccc23)C(=O)[O-])c1 ZINC000833075087 601355197 /nfs/dbraw/zinc/35/51/97/601355197.db2.gz HJJPRGMCVWBJTN-LVCYWYKZSA-N -1 0 347.370 3.131 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)[C@H]2C[C@H]2Cc2ccccc2)C(=O)[O-])cc1 ZINC000833073083 601605311 /nfs/dbraw/zinc/60/53/11/601605311.db2.gz VIMGBVFJVZPRID-SQNIBIBYSA-N -1 0 335.359 3.106 20 30 EGEDRM C[C@H](CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)C(=O)[O-] ZINC000827493388 601621672 /nfs/dbraw/zinc/62/16/72/601621672.db2.gz SNFHBOPGOXTXKE-GFCCVEGCSA-N -1 0 339.351 3.193 20 30 EGEDRM CC[C@H](NC(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1)C(=O)[O-] ZINC000828971404 601679324 /nfs/dbraw/zinc/67/93/24/601679324.db2.gz DHHJPTNYVBHZQG-INIZCTEOSA-N -1 0 338.363 3.252 20 30 EGEDRM Cc1cc(C(=O)N(CCC#N)CCC(C)C)cc(C)c1OCC(=O)[O-] ZINC000832860370 601684409 /nfs/dbraw/zinc/68/44/09/601684409.db2.gz RHCKBEYBEUMBJN-UHFFFAOYSA-N -1 0 346.427 3.169 20 30 EGEDRM Cc1c(C(=O)/C=C/c2c[nH]c(C(=O)[O-])c2)cnn1-c1ccc(F)cc1 ZINC000832849136 601793090 /nfs/dbraw/zinc/79/30/90/601793090.db2.gz YQSRHQLEMPEMBS-FARCUNLSSA-N -1 0 339.326 3.242 20 30 EGEDRM COc1cccc2c1C/C(=C\c1ccc(O[C@H](C)C(=O)[O-])cc1)C2=O ZINC000794699769 601850904 /nfs/dbraw/zinc/85/09/04/601850904.db2.gz CIKUJWKRYBYIJL-HLVNSREUSA-N -1 0 338.359 3.370 20 30 EGEDRM CC[C@@H](OC1CCCCC1)C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000829009786 602271358 /nfs/dbraw/zinc/27/13/58/602271358.db2.gz PYJZNYUGIQXXDA-SJORKVTESA-N -1 0 345.395 3.355 20 30 EGEDRM CCC(CC)n1ccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)n1 ZINC000828869989 604434325 /nfs/dbraw/zinc/43/43/25/604434325.db2.gz IQEZIDWGDMKSNU-MRXNPFEDSA-N -1 0 341.367 3.099 20 30 EGEDRM C=CCSCCNC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000825702689 604482243 /nfs/dbraw/zinc/48/22/43/604482243.db2.gz UUJQVQQSGRUSBJ-AWEZNQCLSA-N -1 0 336.457 3.057 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@H](C)C1CCOCC1 ZINC000833378904 604606738 /nfs/dbraw/zinc/60/67/38/604606738.db2.gz XIYALRHBLBLHQY-GFCCVEGCSA-N -1 0 348.395 3.090 20 30 EGEDRM Cc1cc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2)ccc1-n1cncn1 ZINC000832881062 604629984 /nfs/dbraw/zinc/62/99/84/604629984.db2.gz KMJOMYFBJLEOKM-YCRREMRBSA-N -1 0 333.347 3.170 20 30 EGEDRM CC(N=Nc1nnc(-c2ccccc2)n1C)c1ccc(C(=O)[O-])cc1 ZINC000825808859 604639798 /nfs/dbraw/zinc/63/97/98/604639798.db2.gz HDYNWFOGYQEUKB-UHFFFAOYSA-N -1 0 335.367 3.016 20 30 EGEDRM N#Cc1cc(F)ccc1N1CCC(Nc2cccc(C(=O)[O-])c2)CC1 ZINC000833069556 604640869 /nfs/dbraw/zinc/64/08/69/604640869.db2.gz FOMIGVPIQOCYGS-UHFFFAOYSA-N -1 0 339.370 3.476 20 30 EGEDRM CC[C@@H](C)Oc1cc(CN=Nc2ccc(C(=O)[O-])cn2)ccc1OC ZINC000763370971 604666646 /nfs/dbraw/zinc/66/66/46/604666646.db2.gz WRLBZGDAGUUIOG-GFCCVEGCSA-N -1 0 343.383 3.412 20 30 EGEDRM C=CCNc1nnc(SCc2ccc(C(=O)[O-])cc2F)s1 ZINC000833375622 604670101 /nfs/dbraw/zinc/67/01/01/604670101.db2.gz GSTUXOHQSWOTJM-UHFFFAOYSA-N -1 0 325.390 3.266 20 30 EGEDRM CC(N=Nc1ccc(C(=O)[O-])cn1)c1sccc1Br ZINC000763367504 604670170 /nfs/dbraw/zinc/67/01/70/604670170.db2.gz ASVCFWAUNNGHTB-UHFFFAOYSA-N -1 0 340.202 3.440 20 30 EGEDRM C=C[C@@H](CC(=O)N(CCC(=O)[O-])Cc1ccncc1)c1ccccc1 ZINC000833372027 604778465 /nfs/dbraw/zinc/77/84/65/604778465.db2.gz ZQWQXWDMBVPCCI-KRWDZBQOSA-N -1 0 338.407 3.245 20 30 EGEDRM O=C([O-])c1cc(OCC#Cc2cccc(Cl)c2)ccc1[N+](=O)[O-] ZINC000833300407 604789993 /nfs/dbraw/zinc/78/99/93/604789993.db2.gz DNFLEKIDDHHXAO-UHFFFAOYSA-N -1 0 331.711 3.377 20 30 EGEDRM COc1ccc(C#N)cc1CNc1ccc(CN(C)C(=O)[O-])cc1 ZINC000832152867 604984774 /nfs/dbraw/zinc/98/47/74/604984774.db2.gz OEAINYRDQPMFFQ-UHFFFAOYSA-N -1 0 325.368 3.289 20 30 EGEDRM C=CCNc1nnc(SCCOc2ccccc2C(=O)[O-])s1 ZINC000833376207 605147085 /nfs/dbraw/zinc/14/70/85/605147085.db2.gz XEWZNWFQDPCLLX-UHFFFAOYSA-N -1 0 337.426 3.005 20 30 EGEDRM COc1ccc2nc(N=NC3CCN(C(=O)[O-])CC3)c(C)cc2c1 ZINC000833735001 605287980 /nfs/dbraw/zinc/28/79/80/605287980.db2.gz PUNLLJSGQSUUNM-UHFFFAOYSA-N -1 0 328.372 3.094 20 30 EGEDRM C=C(C)[C@@H](CC(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1)OCC ZINC000833367649 605302499 /nfs/dbraw/zinc/30/24/99/605302499.db2.gz PYPCBTDPHRQBDS-MJGOQNOKSA-N -1 0 341.407 3.453 20 30 EGEDRM C=CCN(CCc1ccco1)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000833374512 605484116 /nfs/dbraw/zinc/48/41/16/605484116.db2.gz NNUKUEGJCWKFHP-UHFFFAOYSA-N -1 0 332.331 3.380 20 30 EGEDRM CC(C)(C)n1ncc2c1nc(N=NC=CCc1ccccc1)[n-]c2=O ZINC000769811042 1303179489 /nfs/dbraw/zinc/17/94/89/1303179489.db2.gz YKHVYCRAQHBVML-VNJAGFCQSA-N -1 0 336.399 3.398 20 30 EGEDRM Fc1ccc(C=CC=Nn2c(=S)[n-]nc2C(F)(F)F)cc1F ZINC000794863604 1309611723 /nfs/dbraw/zinc/61/17/23/1309611723.db2.gz HAYFOJHJJNONEW-KKAYSIFJSA-N -1 0 334.273 3.411 20 30 EGEDRM CSc1ccc(C(=O)OCC([O-])=C(C#N)c2nc(C)cs2)cc1 ZINC000007936381 1291095790 /nfs/dbraw/zinc/09/57/90/1291095790.db2.gz DNGTUCVBQBZNJO-CYBMUJFWSA-N -1 0 346.433 3.207 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2c(C)oc(C)c2C)n1 ZINC000008420645 1291103078 /nfs/dbraw/zinc/10/30/78/1291103078.db2.gz PWGZQLCXXJMWHK-GFCCVEGCSA-N -1 0 332.381 3.003 20 30 EGEDRM CC(=O)Nc1cccc([C@H](C)/N=C/c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000026431671 1291273656 /nfs/dbraw/zinc/27/36/56/1291273656.db2.gz BKKCKOKBWWAVHG-HPAYWCODSA-N -1 0 327.340 3.439 20 30 EGEDRM O=C([N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000042241200 1291437447 /nfs/dbraw/zinc/43/74/47/1291437447.db2.gz ZLLBRDTXEOMOBW-UHFFFAOYSA-N -1 0 346.792 3.474 20 30 EGEDRM O=C([N-]S(=O)(=O)c1ccc(F)cc1)c1ccc2ccccc2n1 ZINC000042250340 1291438279 /nfs/dbraw/zinc/43/82/79/1291438279.db2.gz FXWMCHDRWSCMFL-UHFFFAOYSA-N -1 0 330.340 3.067 20 30 EGEDRM Cc1ccc(C(=O)CCC(=O)[N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000042248686 1291438351 /nfs/dbraw/zinc/43/83/51/1291438351.db2.gz DULCBQHKSYVKTB-UHFFFAOYSA-N -1 0 349.383 3.442 20 30 EGEDRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)c1ccc(Cl)cc1Cl ZINC000042291178 1291439225 /nfs/dbraw/zinc/43/92/25/1291439225.db2.gz NPSCZIJPYYPSJN-UHFFFAOYSA-N -1 0 349.195 3.292 20 30 EGEDRM Cc1ccc(C(=O)[N-]S(=O)(=O)C=Cc2ccccc2)cc1[N+](=O)[O-] ZINC000042319519 1291440558 /nfs/dbraw/zinc/44/05/58/1291440558.db2.gz MLYLDMFZHDNLNJ-MDZDMXLPSA-N -1 0 346.364 3.209 20 30 EGEDRM O=C(Cc1c[nH]c2ccccc12)[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC000045100053 1291504921 /nfs/dbraw/zinc/50/49/21/1291504921.db2.gz LIFKEOXJRXSVDS-UHFFFAOYSA-N -1 0 346.383 3.336 20 30 EGEDRM CCOc1ccc(C(=O)[N-]S(=O)(=O)Cc2ccc(F)cc2)cc1 ZINC000045100104 1291505310 /nfs/dbraw/zinc/50/53/10/1291505310.db2.gz GQAQLJGRTUYDDG-UHFFFAOYSA-N -1 0 337.372 3.059 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)COc2ccccc2C)cc1C ZINC000046929796 1291558179 /nfs/dbraw/zinc/55/81/79/1291558179.db2.gz HHQBQKZSBARKAC-UHFFFAOYSA-N -1 0 333.409 3.336 20 30 EGEDRM O=C(C[C@@H]1CCCO1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000048409285 1291603571 /nfs/dbraw/zinc/60/35/71/1291603571.db2.gz YHVAAPMYKHTZDR-VIFPVBQESA-N -1 0 338.212 3.208 20 30 EGEDRM Cc1cccc(C)c1OCCC(=O)[N-]S(=O)(=O)c1cccs1 ZINC000048449121 1291606062 /nfs/dbraw/zinc/60/60/62/1291606062.db2.gz XXUYHIYGMZYPBS-UHFFFAOYSA-N -1 0 339.438 3.479 20 30 EGEDRM O=C([N-]S(=O)(=O)c1ccc(F)cc1)c1ccccc1OC(F)F ZINC000048453589 1291606097 /nfs/dbraw/zinc/60/60/97/1291606097.db2.gz PULFEUBTIYKQIO-UHFFFAOYSA-N -1 0 345.298 3.121 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2ccc(Cl)c(Cl)c2)C(=O)O1 ZINC000048520699 1291608914 /nfs/dbraw/zinc/60/89/14/1291608914.db2.gz YGGUNZUKGHNGDN-PKXJPQMGSA-N -1 0 325.147 3.222 20 30 EGEDRM C[C@@H](SCc1ccccc1)C(=O)[N-]S(=O)(=O)c1cccnc1 ZINC000048532674 1291610033 /nfs/dbraw/zinc/61/00/33/1291610033.db2.gz ITLWJTQSSONLJF-GFCCVEGCSA-N -1 0 336.438 3.049 20 30 EGEDRM COc1cccc(C(=O)[N-]S(=O)(=O)c2ccccc2Cl)c1 ZINC000048576027 1291611507 /nfs/dbraw/zinc/61/15/07/1291611507.db2.gz GLYSLZNYLKLAAH-UHFFFAOYSA-N -1 0 325.773 3.042 20 30 EGEDRM COc1cccc(CC(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCC3)c1 ZINC000048612215 1291613861 /nfs/dbraw/zinc/61/38/61/1291613861.db2.gz ZGSGYUZHSRUDFF-UHFFFAOYSA-N -1 0 345.420 3.072 20 30 EGEDRM CN(Cc1ccccc1)S(=O)(=O)[N-]C(=O)C=Cc1ccccc1 ZINC000048676836 1291616171 /nfs/dbraw/zinc/61/61/71/1291616171.db2.gz LFFAGVYXPNDOJO-OUKQBFOZSA-N -1 0 330.409 3.033 20 30 EGEDRM Cc1ccc(CC(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cc1 ZINC000054488507 1291753859 /nfs/dbraw/zinc/75/38/59/1291753859.db2.gz MCZAYMMFYCOVLP-UHFFFAOYSA-N -1 0 348.380 3.100 20 30 EGEDRM Cc1ccc(C(=O)[N-]S(=O)(=O)Cc2ccc(Cl)nc2)c(C)c1 ZINC000058151223 1291881016 /nfs/dbraw/zinc/88/10/16/1291881016.db2.gz XXQPDPCKSFCRRQ-UHFFFAOYSA-N -1 0 338.816 3.186 20 30 EGEDRM COc1cccc(C(=O)/C=C/c2cccc(OCCC(=O)[O-])c2)c1 ZINC000060212500 1291920369 /nfs/dbraw/zinc/92/03/69/1291920369.db2.gz UUDXUAPQHPITFO-CMDGGOBGSA-N -1 0 326.348 3.445 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2cc([N+](=O)[O-])ccc2C)c(C)c1 ZINC000065643400 1292084086 /nfs/dbraw/zinc/08/40/86/1292084086.db2.gz VSZHDUJGTITMJV-UHFFFAOYSA-N -1 0 348.380 3.214 20 30 EGEDRM CCc1ccsc1C(=O)[N-]S(=O)(=O)c1ccc(OC)cc1 ZINC000066003665 1292104006 /nfs/dbraw/zinc/10/40/06/1292104006.db2.gz MYYINFVFAUKGMD-UHFFFAOYSA-N -1 0 325.411 3.013 20 30 EGEDRM O=C([N-]S(=O)(=O)c1ccc(Cl)cc1F)c1cc(F)ccc1F ZINC000068338219 1292198721 /nfs/dbraw/zinc/19/87/21/1292198721.db2.gz HVIJCEFPKIOBKI-UHFFFAOYSA-N -1 0 349.717 3.451 20 30 EGEDRM O=C([N-]S(=O)(=O)c1cccs1)c1cccn1Cc1ccccc1 ZINC000069524717 1292244213 /nfs/dbraw/zinc/24/42/13/1292244213.db2.gz AKRYOXVOUDZQBO-UHFFFAOYSA-N -1 0 346.433 3.291 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2COc3ccccc32)cc1C ZINC000073086916 1292305485 /nfs/dbraw/zinc/30/54/85/1292305485.db2.gz PUDUOXCSXZKESN-HNNXBMFYSA-N -1 0 331.393 3.125 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)CC[C@H]2CC[C@@H](C)O2)c(C)c1 ZINC000076757985 1292440064 /nfs/dbraw/zinc/44/00/64/1292440064.db2.gz NXRBUOLEOALCDM-ZIAGYGMSSA-N -1 0 325.430 3.296 20 30 EGEDRM CC(=O)Nc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCC[C@@H](C)C2)cc1 ZINC000076755984 1292440301 /nfs/dbraw/zinc/44/03/01/1292440301.db2.gz NKFNJLOYPAAGDJ-YPMHNXCESA-N -1 0 338.429 3.117 20 30 EGEDRM N#Cc1cc([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)ccc1F ZINC000076839192 1292445287 /nfs/dbraw/zinc/44/52/87/1292445287.db2.gz OSUYLCRSNJDNGL-UHFFFAOYSA-N -1 0 346.170 3.200 20 30 EGEDRM C#CCOc1ccc([N-]S(=O)(=O)c2cc3ccccc3o2)cc1 ZINC000084920531 1292716340 /nfs/dbraw/zinc/71/63/40/1292716340.db2.gz RHGCJBQOELIFRM-UHFFFAOYSA-N -1 0 327.361 3.246 20 30 EGEDRM CCSCc1ccnc([N-]S(=O)(=O)c2ccc(CC#N)cc2)c1 ZINC000090367917 1292791873 /nfs/dbraw/zinc/79/18/73/1292791873.db2.gz MVEPKXUSWHCUIT-UHFFFAOYSA-N -1 0 347.465 3.202 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2cn(C)nc2C(C)(C)C)cc1C ZINC000092313691 1292862724 /nfs/dbraw/zinc/86/27/24/1292862724.db2.gz YADDGLYJENPZKE-UHFFFAOYSA-N -1 0 349.456 3.028 20 30 EGEDRM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)c2cn(C)nc2C(C)(C)C)c1 ZINC000092313684 1292863024 /nfs/dbraw/zinc/86/30/24/1292863024.db2.gz ISWOBKBCWXWWKO-UHFFFAOYSA-N -1 0 349.456 3.028 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)c1sc2cc(F)ccc2c1Cl ZINC000092462350 1292870454 /nfs/dbraw/zinc/87/04/54/1292870454.db2.gz ULHLZAALRYELAU-UHFFFAOYSA-N -1 0 327.764 3.407 20 30 EGEDRM CCCCCCCC(=O)Nc1cc(S(=O)(=O)CC)ccc1[O-] ZINC000104983668 1293029647 /nfs/dbraw/zinc/02/96/47/1293029647.db2.gz BDBGHSGHCGIKTG-UHFFFAOYSA-N -1 0 327.446 3.485 20 30 EGEDRM C=CCN(CC1CCCCC1)C(=O)c1n[n-]c2ccccc2c1=O ZINC000112206395 1293121497 /nfs/dbraw/zinc/12/14/97/1293121497.db2.gz SXIJGXFJZXUUFR-UHFFFAOYSA-N -1 0 325.412 3.132 20 30 EGEDRM O=C([O-])c1ccc(N=NC2CCN(c3nccs3)CC2)cc1F ZINC000835010389 1293186653 /nfs/dbraw/zinc/18/66/53/1293186653.db2.gz ZKEMFORHGREVCM-UHFFFAOYSA-N -1 0 334.376 3.049 20 30 EGEDRM C=CCCCSc1nc(-c2ccc(OC)cc2)c(C#N)c(=O)[n-]1 ZINC000117550046 1293222494 /nfs/dbraw/zinc/22/24/94/1293222494.db2.gz LIIPZJCLCBGZHT-UHFFFAOYSA-N -1 0 327.409 3.375 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2ccc(F)c(C(F)(F)F)c2)C(=O)O1 ZINC000120673968 1293333227 /nfs/dbraw/zinc/33/32/27/1293333227.db2.gz GBVQKPWDGOCQIA-LYKUJDHUSA-N -1 0 342.244 3.073 20 30 EGEDRM CCCCCCCCCC(=O)[N-]S(=O)(=O)c1cnn(C(C)C)c1 ZINC000835822948 1293386618 /nfs/dbraw/zinc/38/66/18/1293386618.db2.gz CQGYYMRYWUIYJK-UHFFFAOYSA-N -1 0 343.493 3.410 20 30 EGEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc(-c2ccccc2)cc1 ZINC000122847734 1293426666 /nfs/dbraw/zinc/42/66/66/1293426666.db2.gz UWARIMBTKQCMHZ-KRWDZBQOSA-N -1 0 329.359 3.292 20 30 EGEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1ccc(Cl)cc1[N+](=O)[O-] ZINC000127228333 1293556620 /nfs/dbraw/zinc/55/66/20/1293556620.db2.gz FDEAVKCWMMBGKT-CYBMUJFWSA-N -1 0 349.774 3.020 20 30 EGEDRM N#CC(C(=O)Nc1ccccc1)=C([O-])c1sccc1Br ZINC000128173964 1293585234 /nfs/dbraw/zinc/58/52/34/1293585234.db2.gz MQWIIPPUSOGUAW-SNVBAGLBSA-N -1 0 349.209 3.472 20 30 EGEDRM C=C[C@H](CC(=O)[N-]S(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC000135958130 1293804443 /nfs/dbraw/zinc/80/44/43/1293804443.db2.gz GDDSRDLJNCZBHQ-OAHLLOKOSA-N -1 0 329.421 3.160 20 30 EGEDRM C=C[C@H](CC(=O)[N-]S(=O)(=O)c1ccc(C)cc1C)c1ccccc1 ZINC000136009005 1293807769 /nfs/dbraw/zinc/80/77/69/1293807769.db2.gz WPEXOUVVOHPTFU-MRXNPFEDSA-N -1 0 343.448 3.468 20 30 EGEDRM C=CC[C@H](NC(=O)c1ccc2cc(Br)ccc2c1)C(=O)[O-] ZINC000150323766 1293889987 /nfs/dbraw/zinc/88/99/87/1293889987.db2.gz YIDWSDOJELOUQA-AWEZNQCLSA-N -1 0 348.196 3.361 20 30 EGEDRM CC(C)Cc1ccc(CCC(=O)C(C#N)=C([O-])c2nccn2C)cc1 ZINC000156230857 1294134020 /nfs/dbraw/zinc/13/40/20/1294134020.db2.gz UWAQEBHRYXHSLJ-QGZVFWFLSA-N -1 0 337.423 3.143 20 30 EGEDRM C=CC[C@@H](NC(=O)c1sc2cc(F)ccc2c1Cl)C(=O)[O-] ZINC000159546530 1294240325 /nfs/dbraw/zinc/24/03/25/1294240325.db2.gz PWTGIZUDTCOPPQ-SECBINFHSA-N -1 0 327.764 3.453 20 30 EGEDRM N#CCOc1ccc(CC(=O)Nc2ccc3[n-]c(=S)oc3c2)cc1 ZINC000163599113 1294336155 /nfs/dbraw/zinc/33/61/55/1294336155.db2.gz IYKHMIRCICCUSB-UHFFFAOYSA-N -1 0 339.376 3.200 20 30 EGEDRM COc1ccc2sc(C([O-])=C(C#N)C(=O)N3CCCC3)c(C)c2c1 ZINC000173936361 1294473899 /nfs/dbraw/zinc/47/38/99/1294473899.db2.gz SOVIUOORQGCLAO-AWEZNQCLSA-N -1 0 342.420 3.163 20 30 EGEDRM C[C@H](CC(=O)Nc1cc(C#N)ccc1[O-])C(=O)c1cccc(F)c1 ZINC000176405303 1294604364 /nfs/dbraw/zinc/60/43/64/1294604364.db2.gz STRTWGBOPOLGLE-LLVKDONJSA-N -1 0 326.327 3.251 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)COc2ccc(Br)cc2)c1 ZINC000176819864 1294633235 /nfs/dbraw/zinc/63/32/35/1294633235.db2.gz FVORKAREQPNUMD-UHFFFAOYSA-N -1 0 347.168 3.044 20 30 EGEDRM CCOC(=O)C1(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)CC1 ZINC000181015557 1294930122 /nfs/dbraw/zinc/93/01/22/1294930122.db2.gz KGMIUTVXHPVPGD-JTQLQIEISA-N -1 0 348.811 3.469 20 30 EGEDRM Cc1nc(-c2ccc(C([O-])=C(C#N)C(=O)N3CCCC3)s2)cs1 ZINC000870133373 1295693024 /nfs/dbraw/zinc/69/30/24/1295693024.db2.gz VTSZXDBXZLGFFX-NSHDSACASA-N -1 0 345.449 3.125 20 30 EGEDRM COc1ccccc1Nc1ccc(C([O-])=C(C#N)C(=O)NC2CC2)cc1 ZINC000870143717 1295701670 /nfs/dbraw/zinc/70/16/70/1295701670.db2.gz XMIKTPRFZMEVHR-MRXNPFEDSA-N -1 0 349.390 3.040 20 30 EGEDRM COc1ccc2cc(C([O-])=C(C#N)C(=O)NC3CCCC3)sc2c1 ZINC000870158914 1295708826 /nfs/dbraw/zinc/70/88/26/1295708826.db2.gz LXZJMOPMHQTGTK-CQSZACIVSA-N -1 0 342.420 3.291 20 30 EGEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1ccc(SC(F)(F)F)o1 ZINC000870159940 1295711318 /nfs/dbraw/zinc/71/13/18/1295711318.db2.gz UNSQOIGQIHUMET-SECBINFHSA-N -1 0 346.330 3.273 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1sc(CCC)nc1C ZINC000193367358 1295856409 /nfs/dbraw/zinc/85/64/09/1295856409.db2.gz ZTOXFTVWVZYRMY-CYBMUJFWSA-N -1 0 335.473 3.423 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1csc(-c2ccccc2)n1 ZINC000193373187 1295858465 /nfs/dbraw/zinc/85/84/65/1295858465.db2.gz FLQKVRGRVQVHSJ-AWEZNQCLSA-N -1 0 341.436 3.439 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])c(CN=Nc2ncnc3c4ccccc4oc32)c1 ZINC000254346325 1296471206 /nfs/dbraw/zinc/47/12/06/1296471206.db2.gz GEGXQKPILJRFAI-UHFFFAOYSA-N -1 0 349.306 3.436 20 30 EGEDRM O=C(/C=C\c1cnn(-c2ccccc2)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000255030538 1296489735 /nfs/dbraw/zinc/48/97/35/1296489735.db2.gz MKGPNTPNPJJYQX-VURMDHGXSA-N -1 0 335.319 3.382 20 30 EGEDRM CCC(CC)(C/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-])C(=O)OC ZINC000255635522 1296556768 /nfs/dbraw/zinc/55/67/68/1296556768.db2.gz AKWZFHNOUSDSEM-IUXPMGMMSA-N -1 0 342.779 3.352 20 30 EGEDRM C=CCC[C@H](NC(=O)Nc1ccc(Br)cc1C)C(=O)[O-] ZINC000316213700 1297140010 /nfs/dbraw/zinc/14/00/10/1297140010.db2.gz ZSKAOGNZXVICLD-LBPRGKRZSA-N -1 0 341.205 3.298 20 30 EGEDRM C=C(Br)CNC(=O)[C@@](C)(CC(=O)[O-])C1CCCCC1 ZINC000872914491 1297169554 /nfs/dbraw/zinc/16/95/54/1297169554.db2.gz JNPYZHDSKBYEJD-AWEZNQCLSA-N -1 0 332.238 3.073 20 30 EGEDRM C=CCCCC(=O)[N-]S(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000873582441 1297607425 /nfs/dbraw/zinc/60/74/25/1297607425.db2.gz FJCHZCLLYUFGJJ-UHFFFAOYSA-N -1 0 336.240 3.296 20 30 EGEDRM Cc1ncc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)s1 ZINC000443460592 1297856520 /nfs/dbraw/zinc/85/65/20/1297856520.db2.gz ATGXXKDRUWPTHV-UHFFFAOYSA-N -1 0 347.343 3.143 20 30 EGEDRM CC(C)[C@H](SCc1ccccc1)C(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC000585125699 1298033712 /nfs/dbraw/zinc/03/37/12/1298033712.db2.gz BZYDDZOHHOGSBC-HNNXBMFYSA-N -1 0 339.424 3.050 20 30 EGEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1cc(-c2ccccc2)ns1 ZINC000747210914 1298741893 /nfs/dbraw/zinc/74/18/93/1298741893.db2.gz RRKQBILDFVOTJU-AWEZNQCLSA-N -1 0 339.420 3.191 20 30 EGEDRM Cc1c(C([O-])=C(C#N)C(=O)NCc2ccccc2)cnc2ccccc12 ZINC000749027056 1299129317 /nfs/dbraw/zinc/12/93/17/1299129317.db2.gz TZFJRRPLOXZUDI-QGZVFWFLSA-N -1 0 343.386 3.182 20 30 EGEDRM COc1cc([N+](=O)[O-])ccc1NN=C(C)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000749608486 1299245767 /nfs/dbraw/zinc/24/57/67/1299245767.db2.gz OAPYSEQXGIEFMP-UHFFFAOYSA-N -1 0 346.299 3.053 20 30 EGEDRM CC(C)c1cccc(C(C)C)c1NC(=O)N[C@@H]1CCCN(O)C1=O ZINC000877912938 1299636422 /nfs/dbraw/zinc/63/64/22/1299636422.db2.gz JONKZFWQSJHFQU-OAHLLOKOSA-N -1 0 333.432 3.435 20 30 EGEDRM CC(C)(C#N)CCS(=O)(=O)Nc1cc2ccccc2cc1C(=O)[O-] ZINC000753017104 1299847680 /nfs/dbraw/zinc/84/76/80/1299847680.db2.gz RYQOAMARMDMHRT-UHFFFAOYSA-N -1 0 346.408 3.220 20 30 EGEDRM Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)C(C#N)=C([O-])c1nccn1C ZINC000753993613 1300061094 /nfs/dbraw/zinc/06/10/94/1300061094.db2.gz GMJFIEIHQSVFQM-IJEWVQPXSA-N -1 0 335.407 3.301 20 30 EGEDRM COc1ccc(C(=O)/C=C/c2cc(F)cc(F)c2)cc1CC(=O)[O-] ZINC000755581554 1300359909 /nfs/dbraw/zinc/35/99/09/1300359909.db2.gz OEBWPYOXNKOWMZ-DUXPYHPUSA-N -1 0 332.302 3.497 20 30 EGEDRM C[C@H](Oc1cccc(C(=O)/C=C/c2ccc(O)c(F)c2)c1)C(=O)[O-] ZINC000755592180 1300361828 /nfs/dbraw/zinc/36/18/28/1300361828.db2.gz XTCLOOJAEAHMBF-ZRQQLDRUSA-N -1 0 330.311 3.279 20 30 EGEDRM COc1cc(C=NNc2cc(C)ccc2F)ccc1OCC(=O)[O-] ZINC000755772156 1300395500 /nfs/dbraw/zinc/39/55/00/1300395500.db2.gz DIHKUKGEQHGHRZ-UHFFFAOYSA-N -1 0 332.331 3.052 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@@H]2CCCC(C)(C)C2)n1 ZINC000756271728 1300461328 /nfs/dbraw/zinc/46/13/28/1300461328.db2.gz XGCNJPFYUXVNLM-CHWSQXEVSA-N -1 0 334.441 3.387 20 30 EGEDRM C#CC[C@@H](NC(=O)C[C@](C)(C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000756845855 1300575438 /nfs/dbraw/zinc/57/54/38/1300575438.db2.gz HEPVZHKADHEGMK-NQIIRXRSSA-N -1 0 335.403 3.300 20 30 EGEDRM CCC(N=Nc1ccc([N+](=O)[O-])cn1)c1cc(C(=O)[O-])ccc1F ZINC000756878745 1300583163 /nfs/dbraw/zinc/58/31/63/1300583163.db2.gz FEOCHPSIOJQKIU-UHFFFAOYSA-N -1 0 332.291 3.053 20 30 EGEDRM COc1ccc(C(C)N=Nc2ccc(C(=O)[O-])cc2OC)c(OC)c1 ZINC000756901720 1300585361 /nfs/dbraw/zinc/58/53/61/1300585361.db2.gz YEKRVZFWEQTTEZ-UHFFFAOYSA-N -1 0 344.367 3.247 20 30 EGEDRM N#CC(C(=O)NC1CC1)=C([O-])c1cccc(-c2c(F)cccc2F)c1 ZINC000757408106 1300670262 /nfs/dbraw/zinc/67/02/62/1300670262.db2.gz GYBPEJOIHUGMNK-AWEZNQCLSA-N -1 0 340.329 3.233 20 30 EGEDRM O=C(/C=C/c1cnc(N2CCCC2)nc1)c1cc(Cl)ccc1[O-] ZINC000757467751 1300673805 /nfs/dbraw/zinc/67/38/05/1300673805.db2.gz JTIQVXKJUMLUMY-HWKANZROSA-N -1 0 329.787 3.332 20 30 EGEDRM C=CCN(CC1CCCCC1)C(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC000758335930 1300853713 /nfs/dbraw/zinc/85/37/13/1300853713.db2.gz GRTXEJJXUBZCDT-UHFFFAOYSA-N -1 0 334.382 3.038 20 30 EGEDRM O=C(/C=C/c1cnn(Cc2ccccc2)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000759092322 1301013811 /nfs/dbraw/zinc/01/38/11/1301013811.db2.gz YNLXXTUENODPIP-SOFGYWHQSA-N -1 0 349.346 3.441 20 30 EGEDRM CCCC(C)=CC(=O)C(C#N)=C([O-])c1c(C)[nH]c(C)c1C(=O)OCC ZINC000759240787 1301047478 /nfs/dbraw/zinc/04/74/78/1301047478.db2.gz UARDBXXSACLVRY-RBJHHQRMSA-N -1 0 344.411 3.446 20 30 EGEDRM COc1ccc2c(c1)C(N=Nc1ccccc1C(=O)[O-])CCCO2 ZINC000763154533 1301833088 /nfs/dbraw/zinc/83/30/88/1301833088.db2.gz GNJFPZHAINPSMR-UHFFFAOYSA-N -1 0 326.352 3.382 20 30 EGEDRM CC(=NNC1CCOCC1)c1cc(Br)cc(Cl)c1[O-] ZINC000764697077 1302118356 /nfs/dbraw/zinc/11/83/56/1302118356.db2.gz VIROSVKRXLSBHI-UHFFFAOYSA-N -1 0 347.640 3.301 20 30 EGEDRM Cn1cc(C=NNc2ccc(C(=O)[O-])cc2)c(-c2cccs2)n1 ZINC000769566110 1303142562 /nfs/dbraw/zinc/14/25/62/1303142562.db2.gz CSNOPPODPBSFOD-UHFFFAOYSA-N -1 0 326.381 3.293 20 30 EGEDRM CC(=NNc1ccc(S(=O)(=O)C(F)F)cc1)c1sccc1[O-] ZINC000769782810 1303174085 /nfs/dbraw/zinc/17/40/85/1303174085.db2.gz WTYOOYFEUGGRNN-UHFFFAOYSA-N -1 0 346.380 3.286 20 30 EGEDRM CCOc1nc(C(=O)C(C#N)=C([O-])c2c(C)[nH]c3ccccc32)co1 ZINC000773958026 1303756507 /nfs/dbraw/zinc/75/65/07/1303756507.db2.gz XRFCMOYKBOUFPK-GFCCVEGCSA-N -1 0 337.335 3.068 20 30 EGEDRM O=C([O-])c1cccc(/C=C2\COc3c(cc(F)cc3[N+](=O)[O-])C2=O)c1 ZINC000774130340 1303776869 /nfs/dbraw/zinc/77/68/69/1303776869.db2.gz LOYYENOKGIOQMD-VZUCSPMQSA-N -1 0 343.266 3.091 20 30 EGEDRM C=CCNC(=O)c1ccc(NC(=O)c2cccc(Cl)c2[O-])cc1 ZINC000775665226 1304009116 /nfs/dbraw/zinc/00/91/16/1304009116.db2.gz HQZDLMNWLVZWLU-UHFFFAOYSA-N -1 0 330.771 3.214 20 30 EGEDRM N#Cc1ccc(C(=O)/C=C\c2cccc(OCC(=O)[O-])c2)cc1F ZINC000776726390 1304188180 /nfs/dbraw/zinc/18/81/80/1304188180.db2.gz JASJWDFCFVWWOK-DAXSKMNVSA-N -1 0 325.295 3.057 20 30 EGEDRM Cc1cc2ccccc2nc1N=NCc1cccc(OCC(=O)[O-])c1 ZINC000776783846 1304198786 /nfs/dbraw/zinc/19/87/86/1304198786.db2.gz WLXSFELROJKURC-UHFFFAOYSA-N -1 0 335.363 3.453 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cc(C)n([C@H](C)C2CC2)n1 ZINC000777299597 1304280415 /nfs/dbraw/zinc/28/04/15/1304280415.db2.gz IMQDCVAAAZMHRG-ZBFHGGJFSA-N -1 0 344.459 3.182 20 30 EGEDRM CC(C)[C@@H](Cc1ccccc1)NN=Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000777448404 1304298875 /nfs/dbraw/zinc/29/88/75/1304298875.db2.gz OOCJGFGBNCFJJF-QGZVFWFLSA-N -1 0 327.384 3.491 20 30 EGEDRM C=CC[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(C)s1)c1ccccc1 ZINC000778598633 1304471994 /nfs/dbraw/zinc/47/19/94/1304471994.db2.gz BJSFZADVHWSQDQ-CQSZACIVSA-N -1 0 335.450 3.221 20 30 EGEDRM CC1(C)CCCC[C@H]1CC(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC000779315293 1304555257 /nfs/dbraw/zinc/55/52/57/1304555257.db2.gz RNKJZVDJEAEEJR-AWEZNQCLSA-N -1 0 340.489 3.123 20 30 EGEDRM CC[C@H](C)c1ccc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCCC2)cc1 ZINC000779317196 1304555294 /nfs/dbraw/zinc/55/52/94/1304555294.db2.gz YWNGKEHZEOQEKS-AWEZNQCLSA-N -1 0 348.468 3.344 20 30 EGEDRM O=C([O-])C(F)(F)Oc1ccc(/C=C2/Cc3cc(O)ccc3C2=O)cc1 ZINC000780187258 1304650910 /nfs/dbraw/zinc/65/09/10/1304650910.db2.gz FHLVNFNCFQERTH-GHXNOFRVSA-N -1 0 346.285 3.271 20 30 EGEDRM CCCCC[C@](C)(CC)C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1 ZINC000781564764 1304843391 /nfs/dbraw/zinc/84/33/91/1304843391.db2.gz OWLUBYWBVNBALH-HNNXBMFYSA-N -1 0 328.478 3.123 20 30 EGEDRM C=C[C@@H]1CCCCN1S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1Cl ZINC000781959093 1304896370 /nfs/dbraw/zinc/89/63/70/1304896370.db2.gz UMAUOSDDDPBTTH-GFCCVEGCSA-N -1 0 343.832 3.076 20 30 EGEDRM C[C@@H](Oc1cccc(/C=C\C(=O)c2ccnc(Cl)c2)c1)C(=O)[O-] ZINC000782186387 1304927149 /nfs/dbraw/zinc/92/71/49/1304927149.db2.gz YIIIJUKBOMQPOK-ISALQUGTSA-N -1 0 331.755 3.483 20 30 EGEDRM CC(=O)N1Cc2ccccc2C(=O)/C(=C/c2cc(C(=O)[O-])cs2)C1 ZINC000782206243 1304931177 /nfs/dbraw/zinc/93/11/77/1304931177.db2.gz JIBZSJOJIRDGBK-AWNIVKPZSA-N -1 0 341.388 3.075 20 30 EGEDRM N#Cc1ccc(NN=Cc2cccc(OCC(=O)[O-])c2)cc1Cl ZINC000783874673 1305156233 /nfs/dbraw/zinc/15/62/33/1305156233.db2.gz CUMJFPXRKQCGJT-UHFFFAOYSA-N -1 0 329.743 3.121 20 30 EGEDRM N#Cc1ccc(NN=Cc2[nH]nc3cc(C(=O)[O-])ccc32)cc1Cl ZINC000783877145 1305156331 /nfs/dbraw/zinc/15/63/31/1305156331.db2.gz GTXPPTQXOIQYRQ-UHFFFAOYSA-N -1 0 339.742 3.232 20 30 EGEDRM CCCCC[C@@H](C(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1)C(C)C ZINC000784100176 1305191196 /nfs/dbraw/zinc/19/11/96/1305191196.db2.gz YRMVQUOCCXJMOE-OAHLLOKOSA-N -1 0 344.415 3.202 20 30 EGEDRM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1cnc(C2CC2)o1 ZINC000892499186 1305408240 /nfs/dbraw/zinc/40/82/40/1305408240.db2.gz SYVUDVUTFMVHQN-JTQLQIEISA-N -1 0 347.733 3.306 20 30 EGEDRM C=C1CCC(C(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2F)CC1 ZINC000892627382 1305478391 /nfs/dbraw/zinc/47/83/91/1305478391.db2.gz GSCCCRKUVIGXBY-UHFFFAOYSA-N -1 0 331.796 3.030 20 30 EGEDRM C=CCC(CC=C)C(=O)[N-]S(=O)(=O)c1cc(C)c(F)c(C)c1 ZINC000786509901 1305586391 /nfs/dbraw/zinc/58/63/91/1305586391.db2.gz QVXQCQITQXAEAQ-UHFFFAOYSA-N -1 0 325.405 3.016 20 30 EGEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2cccc3c2ccn3C)c1 ZINC000786540883 1305594453 /nfs/dbraw/zinc/59/44/53/1305594453.db2.gz NCQQNVPFADXVRT-SFHVURJKSA-N -1 0 345.402 3.126 20 30 EGEDRM Cc1ccc(C([O-])=C(C#N)C(=O)NCc2ccc(F)c(F)c2)cc1F ZINC000786572256 1305602334 /nfs/dbraw/zinc/60/23/34/1305602334.db2.gz WTSUGQOVVMRIBP-CYBMUJFWSA-N -1 0 346.308 3.051 20 30 EGEDRM C#CCC1(C(=O)OCC([O-])=C(C#N)c2nc(C)cs2)CCCCC1 ZINC000788213079 1305896071 /nfs/dbraw/zinc/89/60/71/1305896071.db2.gz KJRYVGPMTHDVOU-AWEZNQCLSA-N -1 0 344.436 3.145 20 30 EGEDRM O=C([O-])[C@@H]1CCC(=NNc2ccnc3ccccc32)c2ccccc21 ZINC000789003742 1306062567 /nfs/dbraw/zinc/06/25/67/1306062567.db2.gz IPDRAVPXKBAULI-OAHLLOKOSA-N -1 0 331.375 3.435 20 30 EGEDRM O=C([O-])[C@@H]1CCC(N=Nc2ncnc3ccsc32)c2ccccc21 ZINC000789038305 1306073302 /nfs/dbraw/zinc/07/33/02/1306073302.db2.gz OTWDTJWQDUCJCA-GFCCVEGCSA-N -1 0 338.392 3.470 20 30 EGEDRM O=c1[nH]ccc2cc(NN=Cc3cc(Cl)cc(F)c3[O-])ccc12 ZINC000789084592 1306086960 /nfs/dbraw/zinc/08/69/60/1306086960.db2.gz AQAQKGWCBPCHFS-UHFFFAOYSA-N -1 0 331.734 3.472 20 30 EGEDRM CC1(C)COc2c1cccc2C([O-])=C(C#N)C(=O)NC1CCCCC1 ZINC000789402910 1306154491 /nfs/dbraw/zinc/15/44/91/1306154491.db2.gz IIHFWJGPZYQZIQ-OAHLLOKOSA-N -1 0 340.423 3.128 20 30 EGEDRM CC1(C)COc2c1cccc2C([O-])=C(C#N)C(=O)NC1CCCCC1 ZINC000789402908 1306155265 /nfs/dbraw/zinc/15/52/65/1306155265.db2.gz IIHFWJGPZYQZIQ-HNNXBMFYSA-N -1 0 340.423 3.128 20 30 EGEDRM N#Cc1cccc(-c2cc(C(=O)Nc3cc(C#N)ccc3[O-])on2)c1 ZINC000790006793 1306247278 /nfs/dbraw/zinc/24/72/78/1306247278.db2.gz KMSILCLCBIYVMJ-UHFFFAOYSA-N -1 0 330.303 3.043 20 30 EGEDRM CC[C@H](NN=C1C[C@@H](C)c2c1cccc2Br)C(=O)[O-] ZINC000793057883 1309287992 /nfs/dbraw/zinc/28/79/92/1309287992.db2.gz QXSWLVMXJZIIRG-KCJUWKMLSA-N -1 0 325.206 3.113 20 30 EGEDRM CC[C@H](NN=C1CCCc2cc(SC(F)F)ccc21)C(=O)[O-] ZINC000793056817 1309288062 /nfs/dbraw/zinc/28/80/62/1309288062.db2.gz XQBOUPIXMUBWOJ-LBPRGKRZSA-N -1 0 328.384 3.495 20 30 EGEDRM CC[C@H](NN=C(Cc1ccccn1)c1ccc(Cl)cc1)C(=O)[O-] ZINC000793071832 1309291160 /nfs/dbraw/zinc/29/11/60/1309291160.db2.gz HRSJRCBXFMTMJK-HNNXBMFYSA-N -1 0 331.803 3.135 20 30 EGEDRM CC[C@H](NN=Cc1ccc(OC)c(OCc2ccccc2)c1)C(=O)[O-] ZINC000793081138 1309292660 /nfs/dbraw/zinc/29/26/60/1309292660.db2.gz HJIFJBITYHULJB-INIZCTEOSA-N -1 0 342.395 3.061 20 30 EGEDRM COC(=O)c1csc(C(=O)/C=C/c2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000794723457 1309581034 /nfs/dbraw/zinc/58/10/34/1309581034.db2.gz FLEZGZFFYGTTLC-GORDUTHDSA-N -1 0 333.321 3.045 20 30 EGEDRM C[C@@H](Oc1cccc(C(=O)/C=C/c2c(F)ccc(O)c2F)c1)C(=O)[O-] ZINC000794935778 1309625636 /nfs/dbraw/zinc/62/56/36/1309625636.db2.gz UKRACRUUASMYCF-BREXMAIKSA-N -1 0 348.301 3.418 20 30 EGEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1ccc(C(F)(F)F)s1 ZINC000796803135 1310090505 /nfs/dbraw/zinc/09/05/05/1310090505.db2.gz PHWXZECLQUSTTJ-SECBINFHSA-N -1 0 330.331 3.148 20 30 EGEDRM Cc1nnc(N=NCC(Cc2ccccc2)Cc2ccccc2)[n-]c1=O ZINC000799107646 1310487014 /nfs/dbraw/zinc/48/70/14/1310487014.db2.gz OOBFBJDMBTXEEN-UHFFFAOYSA-N -1 0 347.422 3.385 20 30 EGEDRM CCOC(=O)Oc1ccc(C(=O)Nc2cc(C#N)ccc2[O-])cc1 ZINC000800524552 1310776269 /nfs/dbraw/zinc/77/62/69/1310776269.db2.gz LJFAYGOTMPVVGC-UHFFFAOYSA-N -1 0 326.308 3.051 20 30 EGEDRM Cc1[nH]c(C=NNc2ccc(C#N)c(C(F)(F)F)c2)cc1C(=O)[O-] ZINC000800811599 1310808938 /nfs/dbraw/zinc/80/89/38/1310808938.db2.gz BLPQWLHTVROJND-UHFFFAOYSA-N -1 0 336.273 3.358 20 30 EGEDRM Cc1ccc(F)c(-n2cc([O-])c(C(=O)OCCC(C)(C)C#N)n2)c1 ZINC000801415804 1310935089 /nfs/dbraw/zinc/93/50/89/1310935089.db2.gz DCASHVGEZDAOMW-UHFFFAOYSA-N -1 0 331.347 3.122 20 30 EGEDRM Cc1ccc(Oc2ccc(C([O-])=C(C#N)C(=O)N3CCCC3)nc2)cc1 ZINC000838786381 1320816737 /nfs/dbraw/zinc/81/67/37/1320816737.db2.gz FNFVCELSBROCLZ-QGZVFWFLSA-N -1 0 349.390 3.127 20 30 EGEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1coc(C2CC2)n1)c1ccccc1 ZINC000802219482 1316990115 /nfs/dbraw/zinc/99/01/15/1316990115.db2.gz XXHGSOYISLFUIM-HUUCEWRRSA-N -1 0 337.379 3.142 20 30 EGEDRM C#C[C@@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccc(Cl)cc1F ZINC000804413985 1317232302 /nfs/dbraw/zinc/23/23/02/1317232302.db2.gz FSLCMAKNLIKQQT-OAHLLOKOSA-N -1 0 348.717 3.197 20 30 EGEDRM CCn1cncc1/C=C/C(=O)c1cc(C(=O)[O-])ccc1OC(C)C ZINC000901542933 1317442606 /nfs/dbraw/zinc/44/26/06/1317442606.db2.gz SMTLMJAGSKBJHO-VOTSOKGWSA-N -1 0 328.368 3.285 20 30 EGEDRM Cc1nc(/C=C/C(=O)c2cc(C(=O)[O-])ccc2OC(C)C)[nH]c1C ZINC000901543448 1317443699 /nfs/dbraw/zinc/44/36/99/1317443699.db2.gz YXKAMIPBLVRIBW-SOFGYWHQSA-N -1 0 328.368 3.408 20 30 EGEDRM CC(=O)Nc1ccc(/C=C2\C[C@@H](C(=O)[O-])c3ccccc3C2=O)cc1 ZINC000806562291 1317501380 /nfs/dbraw/zinc/50/13/80/1317501380.db2.gz IDDLHVLIOQKTSQ-PMXLPMHFSA-N -1 0 335.359 3.483 20 30 EGEDRM Cc1cccn2c(/C=C3/C[C@H](C(=O)[O-])c4ccccc4C3=O)cnc12 ZINC000806562306 1317501710 /nfs/dbraw/zinc/50/17/10/1317501710.db2.gz IHRWFGFUVVSZLN-GQPJMJRUSA-N -1 0 332.359 3.481 20 30 EGEDRM O=C([O-])[C@@H]1C/C(=C\c2csc([N+](=O)[O-])c2)C(=O)c2ccccc21 ZINC000806563331 1317502661 /nfs/dbraw/zinc/50/26/61/1317502661.db2.gz UTZVMWCVXYSCFG-ZQNFCJTASA-N -1 0 329.333 3.495 20 30 EGEDRM Cc1nn(C)c2sc(C(=O)/C=C/c3ccc([N+](=O)[O-])c([O-])c3)cc12 ZINC000806576655 1317505186 /nfs/dbraw/zinc/50/51/86/1317505186.db2.gz FPBXFHWDZVBTPA-GQCTYLIASA-N -1 0 343.364 3.453 20 30 EGEDRM O=C([O-])c1cc(/C=C2\CCOc3cc(F)ccc3C2=O)ccc1O ZINC000809158639 1317776658 /nfs/dbraw/zinc/77/66/58/1317776658.db2.gz VLLYOPPEAOWWJL-YRNVUSSQSA-N -1 0 328.295 3.278 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2sc3c(c2C#N)CCCC3)sn1 ZINC000906071623 1318034254 /nfs/dbraw/zinc/03/42/54/1318034254.db2.gz IQXGCFRFAWIJCM-UHFFFAOYSA-N -1 0 339.467 3.064 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)C[C@@H](c2ccccc2)C(C)C)CC1 ZINC000810982082 1318085285 /nfs/dbraw/zinc/08/52/85/1318085285.db2.gz XXMSIJDNHYFWRI-MRXNPFEDSA-N -1 0 335.469 3.371 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2cc3ccccc3n2CCC)CC1 ZINC000810986076 1318086538 /nfs/dbraw/zinc/08/65/38/1318086538.db2.gz NVESICSYGSGTNU-UHFFFAOYSA-N -1 0 346.452 3.220 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)CCC(C)(C)c2ccccc2)CC1 ZINC000810986233 1318086598 /nfs/dbraw/zinc/08/65/98/1318086598.db2.gz ROHDPYNNZRHJQO-UHFFFAOYSA-N -1 0 335.469 3.299 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000810987749 1318088173 /nfs/dbraw/zinc/08/81/73/1318088173.db2.gz YVSDGWFXHOFQFX-UHFFFAOYSA-N -1 0 334.224 3.162 20 30 EGEDRM C=C1CCC(C(=O)NC[C@H](Cc2ccc(OCC)cc2)C(=O)[O-])CC1 ZINC000909172090 1318445104 /nfs/dbraw/zinc/44/51/04/1318445104.db2.gz QKMHRVNQRVFMHX-KRWDZBQOSA-N -1 0 345.439 3.191 20 30 EGEDRM C#CCO[N-]C(=O)[C@H](Sc1ccc(F)cc1F)c1ccccc1 ZINC000812785119 1318455090 /nfs/dbraw/zinc/45/50/90/1318455090.db2.gz UXZZTKCVIJVITI-MRXNPFEDSA-N -1 0 333.359 3.479 20 30 EGEDRM C=C1CCC(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])CC1 ZINC000909440775 1318473557 /nfs/dbraw/zinc/47/35/57/1318473557.db2.gz ARWWUCRAJYWUTO-QGZVFWFLSA-N -1 0 326.396 3.026 20 30 EGEDRM C=C[C@](C)(CC)C(=O)N1CCC(c2nc(C)c(C(=O)[O-])s2)CC1 ZINC000910357557 1318614675 /nfs/dbraw/zinc/61/46/75/1318614675.db2.gz MNGVESKOWSAHAD-QGZVFWFLSA-N -1 0 336.457 3.458 20 30 EGEDRM C[C@H]1C(=NNC(=S)NC2CCCCC2)CC[C@@H](C(=O)[O-])C1(C)C ZINC000814715878 1318804615 /nfs/dbraw/zinc/80/46/15/1318804615.db2.gz PAWBFVSBTVRXCT-AAEUAGOBSA-N -1 0 339.505 3.296 20 30 EGEDRM CC(C)(C)C1N=NC(=S)N1N=Cc1cccc(C(=O)[O-])c1Cl ZINC000814728985 1318807056 /nfs/dbraw/zinc/80/70/56/1318807056.db2.gz VDJIPXBSBFJDMW-UHFFFAOYSA-N -1 0 338.820 3.098 20 30 EGEDRM CC(CC1(C(=O)[O-])CCC1)=NNC(=S)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000814757137 1318810710 /nfs/dbraw/zinc/81/07/10/1318810710.db2.gz ORXAVFGMDZKRIY-IACUBPJLSA-N -1 0 339.505 3.296 20 30 EGEDRM CCCCCNC(=S)NN=C(C)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C ZINC000814764483 1318812633 /nfs/dbraw/zinc/81/26/33/1318812633.db2.gz WNSBFTVBCHDDHE-OLZOCXBDSA-N -1 0 327.494 3.154 20 30 EGEDRM CC(N=Nc1nc2ccccc2n1C)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C ZINC000814807005 1318821862 /nfs/dbraw/zinc/82/18/62/1318821862.db2.gz AWKZVYAUJRDGRG-OLZOCXBDSA-N -1 0 328.416 3.498 20 30 EGEDRM CC(=NNc1ccc(Cl)nc1)c1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000814859641 1318833295 /nfs/dbraw/zinc/83/32/95/1318833295.db2.gz YJDHPFMVJJDANR-NSHDSACASA-N -1 0 333.775 3.423 20 30 EGEDRM Cc1ccnc(N=NC(C)CCc2ccc(OCC(=O)[O-])cc2)c1 ZINC000814868405 1318834824 /nfs/dbraw/zinc/83/48/24/1318834824.db2.gz QWNURWMBRVLFOL-UHFFFAOYSA-N -1 0 327.384 3.274 20 30 EGEDRM CC(CCc1ccc(O[C@@H](C)C(=O)[O-])cc1)N=Nc1ccnc(F)c1 ZINC000814902173 1318844500 /nfs/dbraw/zinc/84/45/00/1318844500.db2.gz HLUXOTWIWMZFGG-ZDUSSCGKSA-N -1 0 345.374 3.493 20 30 EGEDRM CC(CCc1ccc(O[C@H](C)C(=O)[O-])cc1)=NNCCC(F)(F)F ZINC000814920738 1318848495 /nfs/dbraw/zinc/84/84/95/1318848495.db2.gz UWOJEXFIQMIHMS-GFCCVEGCSA-N -1 0 346.349 3.389 20 30 EGEDRM Cc1cc(C)c(C(=O)[O-])cc1C=NN[C@@H](C)COc1ccccc1 ZINC000814935578 1318854760 /nfs/dbraw/zinc/85/47/60/1318854760.db2.gz OIEBTJFBATWSFM-HNNXBMFYSA-N -1 0 326.396 3.393 20 30 EGEDRM CC(=NOCC1CC1)c1cc(Br)ccc1OCC(=O)[O-] ZINC000814940948 1318856071 /nfs/dbraw/zinc/85/60/71/1318856071.db2.gz IFFCPXRRTOOIAD-UHFFFAOYSA-N -1 0 342.189 3.063 20 30 EGEDRM N#Cc1ccccc1N1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816483932 1319163628 /nfs/dbraw/zinc/16/36/28/1319163628.db2.gz KTQQYKSJOMREJF-UHFFFAOYSA-N -1 0 345.805 3.379 20 30 EGEDRM COC[C@](C)(C#N)[N-]C(=O)C(F)(F)c1cc(Cl)ccc1Cl ZINC000817440165 1319363083 /nfs/dbraw/zinc/36/30/83/1319363083.db2.gz HXXJZCDVECPHBY-LBPRGKRZSA-N -1 0 337.153 3.130 20 30 EGEDRM C=CCn1c(C)cc(C([O-])=CS(=O)(=O)c2ccccc2F)c1C ZINC000915679628 1319518547 /nfs/dbraw/zinc/51/85/47/1319518547.db2.gz YOTVKHPBXJRZDJ-UHFFFAOYSA-N -1 0 335.400 3.087 20 30 EGEDRM COc1cc(/C=C\C(=O)c2cc(F)ccc2F)ccc1OCC(=O)[O-] ZINC000916134728 1319606803 /nfs/dbraw/zinc/60/68/03/1319606803.db2.gz QBUIGNKWNFTYQZ-KXFIGUGUSA-N -1 0 348.301 3.333 20 30 EGEDRM COc1cc2c(cc1C=NNc1ccc(C(=O)[O-])cc1)O[C@@H](C)C2 ZINC000916540848 1319668924 /nfs/dbraw/zinc/66/89/24/1319668924.db2.gz UAQFYQYXWRLECM-NSHDSACASA-N -1 0 326.352 3.163 20 30 EGEDRM CSCc1ccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)cc1 ZINC000916892238 1319720101 /nfs/dbraw/zinc/72/01/01/1319720101.db2.gz CSJIWANXOIUVMV-INIZCTEOSA-N -1 0 330.453 3.321 20 30 EGEDRM N#CC(C(=O)NC1CC1)=C([O-])c1ccc(Oc2ccc(F)cc2)cc1 ZINC000916926789 1319725772 /nfs/dbraw/zinc/72/57/72/1319725772.db2.gz WXQSYEFDQMDKAQ-QGZVFWFLSA-N -1 0 338.338 3.219 20 30 EGEDRM C=CCNC(=O)C(C#N)=C([O-])c1cc(C)n(C2CCCCC2)c1C ZINC000916921981 1319725980 /nfs/dbraw/zinc/72/59/80/1319725980.db2.gz YZWUMSXRCQELLY-QGZVFWFLSA-N -1 0 327.428 3.235 20 30 EGEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)C=C(C)C1CC1 ZINC000917508855 1319825278 /nfs/dbraw/zinc/82/52/78/1319825278.db2.gz YYBCUUQMCKHKLE-GDAGCXPBSA-N -1 0 342.395 3.056 20 30 EGEDRM CCC(=NNc1[n-]cnc2ncnc1-2)c1ccc(OC(F)F)cc1 ZINC000917554637 1319835174 /nfs/dbraw/zinc/83/51/74/1319835174.db2.gz HOIQZPFYZMPCMK-UHFFFAOYSA-N -1 0 332.314 3.181 20 30 EGEDRM CCc1cc(C#N)c([N-]S(=O)(=O)c2cnc(Cl)c(C)c2)s1 ZINC000820799384 1319955100 /nfs/dbraw/zinc/95/51/00/1319955100.db2.gz NDKRULIQUCGLPS-UHFFFAOYSA-N -1 0 341.845 3.340 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)NC[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000837300364 1320594651 /nfs/dbraw/zinc/59/46/51/1320594651.db2.gz UIOFZQIWGPYEOX-LLVKDONJSA-N -1 0 344.333 3.091 20 30 EGEDRM C=CCC[C@@H](NC(=O)N[C@@H]1CC2(CCC2)Oc2ccccc21)C(=O)[O-] ZINC000837299199 1320594827 /nfs/dbraw/zinc/59/48/27/1320594827.db2.gz SWQPDXSRZNHIDP-HUUCEWRRSA-N -1 0 344.411 3.152 20 30 EGEDRM CO[C@@H](CC(C)C)C(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21 ZINC000842280381 1321367228 /nfs/dbraw/zinc/36/72/28/1321367228.db2.gz CEECLQNZWBBCIV-HOCLYGCPSA-N -1 0 326.396 3.429 20 30 EGEDRM CC(C)(C)n1ncc2c1nc(N=NC1CCC(F)(F)CC1)[n-]c2=O ZINC000842528140 1321399613 /nfs/dbraw/zinc/39/96/13/1321399613.db2.gz OYWOCRCEGLSWKK-UHFFFAOYSA-N -1 0 338.362 3.264 20 30 EGEDRM CC(C)=CCC[C@@H](C)CC(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1 ZINC000842705119 1321421408 /nfs/dbraw/zinc/42/14/08/1321421408.db2.gz SMHNRFUXAJHERC-OAHLLOKOSA-N -1 0 348.468 3.277 20 30 EGEDRM CCCCCOc1ccc(S(=O)(=O)[N-]c2cccc(C#N)n2)cc1 ZINC000842821127 1321435501 /nfs/dbraw/zinc/43/55/01/1321435501.db2.gz PBMSRBAUTHKWSF-UHFFFAOYSA-N -1 0 345.424 3.323 20 30 EGEDRM CCN(C)c1ccc(/C=C2\C[C@H](C(=O)[O-])c3ccccc3C2=O)cn1 ZINC000843268938 1321496480 /nfs/dbraw/zinc/49/64/80/1321496480.db2.gz OMBWMGJPXFAUKE-SHRNQRGKSA-N -1 0 336.391 3.376 20 30 EGEDRM CC(=NNCCC(F)(F)F)c1ccc(O)c(Br)c1 ZINC000844593240 1321624434 /nfs/dbraw/zinc/62/44/34/1321624434.db2.gz JKHRPPBPZIMYGZ-UHFFFAOYSA-N -1 0 325.128 3.421 20 30 EGEDRM Cc1c(N=NCCCc2ccc3c(c2)OCCO3)cccc1C(=O)[O-] ZINC000844625069 1321626136 /nfs/dbraw/zinc/62/61/36/1321626136.db2.gz VKZWQSZDVPNZCH-UHFFFAOYSA-N -1 0 340.379 3.495 20 30 EGEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1cc(Cl)nc(C2CC2)c1 ZINC000847623307 1321884649 /nfs/dbraw/zinc/88/46/49/1321884649.db2.gz HWWBDJIKASIADQ-AWEZNQCLSA-N -1 0 345.830 3.384 20 30 EGEDRM CC1(C)Cc2cccc(C([O-])=C(C#N)C(=O)NC3CCCCC3)c2O1 ZINC000847624075 1321885306 /nfs/dbraw/zinc/88/53/06/1321885306.db2.gz REIWVESCOWKOEZ-MRXNPFEDSA-N -1 0 340.423 3.171 20 30 EGEDRM CC(C)(C)OC(=O)NC(C)(C)CN=Nc1ccc(CC(=O)[O-])cc1 ZINC000848414586 1321958232 /nfs/dbraw/zinc/95/82/32/1321958232.db2.gz PHIXBSJVEXFORQ-UHFFFAOYSA-N -1 0 335.404 3.015 20 30 EGEDRM COCCC(Cc1cccc(F)c1)N=Nc1ccc(CC(=O)[O-])cc1 ZINC000848416031 1321958287 /nfs/dbraw/zinc/95/82/87/1321958287.db2.gz WSXSKMRZMAPJCW-UHFFFAOYSA-N -1 0 344.386 3.500 20 30 EGEDRM CC(CCc1ccc2c(c1)OCO2)N=Nc1ccc(CC(=O)[O-])cc1 ZINC000848416078 1321958619 /nfs/dbraw/zinc/95/86/19/1321958619.db2.gz XZYUBIMZVMBYNX-UHFFFAOYSA-N -1 0 340.379 3.463 20 30 EGEDRM Cc1cc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)ncc1C#N ZINC000848701003 1321996833 /nfs/dbraw/zinc/99/68/33/1321996833.db2.gz YFJVUSNJMGRXAA-UHFFFAOYSA-N -1 0 329.425 3.360 20 30 EGEDRM C[C@@H]1CN(CC/N=C\c2cc(Cl)cc(Cl)c2[O-])[C@H](C)CO1 ZINC000849169290 1322093434 /nfs/dbraw/zinc/09/34/34/1322093434.db2.gz ASLWGHRBGJDPIE-SNUQXLNVSA-N -1 0 331.243 3.227 20 30 EGEDRM COc1cc(/C=C2/Cc3cc(C)ccc3C2=O)cc([N+](=O)[O-])c1[O-] ZINC000921263577 1322282151 /nfs/dbraw/zinc/28/21/51/1322282151.db2.gz HBLKCSDXJQWPHP-MLPAPPSSSA-N -1 0 325.320 3.440 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@H]2Cc2ccccc2)CC1 ZINC000851031299 1322325860 /nfs/dbraw/zinc/32/58/60/1322325860.db2.gz BBUDXERNCCEQES-DLBZAZTESA-N -1 0 347.480 3.200 20 30 EGEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])C=Cc2ccc(C(N)=O)o2)s1 ZINC000853121511 1325051658 /nfs/dbraw/zinc/05/16/58/1325051658.db2.gz GBEWDDPHLXUYNQ-VLWUPBBWSA-N -1 0 343.408 3.022 20 30 EGEDRM CC(C)=C[C@@H]1[C@@H](C(=O)OCC([O-])=C(C#N)c2nc(C)cs2)C1(C)C ZINC000927720615 1328119642 /nfs/dbraw/zinc/11/96/42/1328119642.db2.gz RNZVXVQPWVSTSI-GUTXKFCHSA-N -1 0 346.452 3.409 20 30 EGEDRM C=CCC[C@@H](NC(=O)N[C@H](C)c1cccc(N2CCCC2)c1)C(=O)[O-] ZINC000929050598 1328496506 /nfs/dbraw/zinc/49/65/06/1328496506.db2.gz YBBIVQWZLRTBDZ-RHSMWYFYSA-N -1 0 345.443 3.066 20 30 EGEDRM CC(=NNCCCOCc1ccccc1)c1csc(C(=O)[O-])c1 ZINC000863176800 1329531936 /nfs/dbraw/zinc/53/19/36/1329531936.db2.gz AARRWAXASLJJBA-UHFFFAOYSA-N -1 0 332.425 3.367 20 30 EGEDRM C=CCN(Cc1ccc(Cl)s1)Cc1cn(C)nc1C(=O)[O-] ZINC000864778019 1329641984 /nfs/dbraw/zinc/64/19/84/1329641984.db2.gz PNJPZSUXBMVSJQ-UHFFFAOYSA-N -1 0 325.821 3.021 20 30 EGEDRM CCn1nc(C)c(C(=O)/C=C\c2ccc(OC)c(C(=O)[O-])c2)c1C ZINC000865216640 1329676667 /nfs/dbraw/zinc/67/66/67/1329676667.db2.gz DUTQFHFONMBGNV-VURMDHGXSA-N -1 0 328.368 3.123 20 30 EGEDRM O=C([N-]Cc1ccc(OC(F)F)cc1)C(F)(F)OCC(F)(F)F ZINC001183195301 1387276986 /nfs/dbraw/zinc/27/69/86/1387276986.db2.gz UXISUDVVUPJUIA-UHFFFAOYSA-N -1 0 349.202 3.076 20 30 EGEDRM N#Cc1cc(NC(=O)[C@@H]2COc3ccc(Cl)cc3C2)c([O-])cc1F ZINC001183274799 1387289688 /nfs/dbraw/zinc/28/96/88/1387289688.db2.gz DCJVPZVFJOWHPH-NSHDSACASA-N -1 0 346.745 3.246 20 30 EGEDRM CC(=O)Nc1ccc(NC(=O)CCC(=O)C2=CC=C[CH]2)cc1Cl ZINC001184244604 1387418649 /nfs/dbraw/zinc/41/86/49/1387418649.db2.gz DUIIMDNJLIZHPM-UHFFFAOYSA-N -1 0 331.779 3.287 20 30 EGEDRM Cc1cn(-c2ccc(NC(=O)CCC(=O)C3=CC=C[CH]3)cc2F)cn1 ZINC001184245002 1387419700 /nfs/dbraw/zinc/41/97/00/1387419700.db2.gz JAZHARJPLURESK-UHFFFAOYSA-N -1 0 338.362 3.308 20 30 EGEDRM N#Cc1c(Cl)cc(C(=O)[N-]c2noc3cccnc23)nc1Cl ZINC001184789854 1387539958 /nfs/dbraw/zinc/53/99/58/1387539958.db2.gz XLTHGMLVHPJPIY-UHFFFAOYSA-N -1 0 334.122 3.049 20 30 EGEDRM CCC(N=Nc1ccn(C)n1)c1ccc(OCCCCC(=O)[O-])cc1 ZINC001324258935 1387572215 /nfs/dbraw/zinc/57/22/15/1387572215.db2.gz VHSCIHDSCMLDSF-UHFFFAOYSA-N -1 0 344.415 3.280 20 30 EGEDRM N#Cc1c(Cl)cccc1[N-]S(=O)(=O)Cc1ccc(F)c(F)c1 ZINC001189319069 1366988512 /nfs/dbraw/zinc/98/85/12/1366988512.db2.gz YBOHLBYNZIMRBT-UHFFFAOYSA-N -1 0 342.754 3.432 20 30 EGEDRM N#Cc1ccc(F)c(F)c1[N-]S(=O)(=O)Cc1ccc(F)c(F)c1 ZINC001189319547 1366988970 /nfs/dbraw/zinc/98/89/70/1366988970.db2.gz SDXAQJKQEWFPCU-UHFFFAOYSA-N -1 0 344.289 3.057 20 30 EGEDRM N#Cc1cncc([N-]S(=O)(=O)c2ccc(F)c3ccccc32)c1 ZINC001189357619 1367002732 /nfs/dbraw/zinc/00/27/32/1367002732.db2.gz VLNNNOOWGSHQFM-UHFFFAOYSA-N -1 0 327.340 3.046 20 30 EGEDRM N#Cc1c(Cl)cccc1[N-]S(=O)(=O)Cc1cc(F)ccc1F ZINC001189690025 1367087306 /nfs/dbraw/zinc/08/73/06/1367087306.db2.gz GQFCOQFTAXODIA-UHFFFAOYSA-N -1 0 342.754 3.432 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)NCc2ccc3ccccc3c2)c1 ZINC001190660715 1367321353 /nfs/dbraw/zinc/32/13/53/1367321353.db2.gz CYZWVLWXQGOCBP-UHFFFAOYSA-N -1 0 340.379 3.329 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]c2c3ccccc3oc2C(=O)OCC)CC1 ZINC001190766464 1367345844 /nfs/dbraw/zinc/34/58/44/1367345844.db2.gz SXZOOESKAAUKGB-UHFFFAOYSA-N -1 0 349.408 3.460 20 30 EGEDRM Cc1cc(F)cc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1O ZINC001190969826 1367391578 /nfs/dbraw/zinc/39/15/78/1367391578.db2.gz NRWORSCBPBAGBG-UHFFFAOYSA-N -1 0 340.763 3.166 20 30 EGEDRM CCCCCCCNS(=O)(=O)c1ccc(OCC)c(C(=O)[O-])c1 ZINC001192660288 1367845089 /nfs/dbraw/zinc/84/50/89/1367845089.db2.gz OSKUMHFWGCYRSC-UHFFFAOYSA-N -1 0 343.445 3.032 20 30 EGEDRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2oc(C)c(C)c2C#N)c1 ZINC001192765586 1367869947 /nfs/dbraw/zinc/86/99/47/1367869947.db2.gz DMSGGQVZVCQDCG-UHFFFAOYSA-N -1 0 334.397 3.140 20 30 EGEDRM C=CC[C@H](NC(=O)c1ccc(C2SCCCS2)cc1)C(=O)[O-] ZINC001325145331 1387905534 /nfs/dbraw/zinc/90/55/34/1387905534.db2.gz YXJPLRLTDPIWNI-ZDUSSCGKSA-N -1 0 337.466 3.314 20 30 EGEDRM N#Cc1c(Cl)cccc1[N-]S(=O)(=O)c1cnccc1Cl ZINC001192894066 1367898315 /nfs/dbraw/zinc/89/83/15/1367898315.db2.gz VNAUFQLSPPLIJN-UHFFFAOYSA-N -1 0 328.180 3.061 20 30 EGEDRM N#Cc1cc(NC(=O)[C@@H]2CC(=O)c3cc(Cl)ccc32)ccc1O ZINC001186253349 1387907455 /nfs/dbraw/zinc/90/74/55/1387907455.db2.gz ZCFGPAJUCZCHOU-CQSZACIVSA-N -1 0 326.739 3.226 20 30 EGEDRM Cc1cc(NC(=O)c2cccc(C#N)c2[O-])nc(C)c1Br ZINC001193635742 1368080961 /nfs/dbraw/zinc/08/09/61/1368080961.db2.gz ZWUFFAPXYCOIPX-UHFFFAOYSA-N -1 0 346.184 3.291 20 30 EGEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2ccc(Cl)c(C)c2)c1 ZINC001193680362 1368093189 /nfs/dbraw/zinc/09/31/89/1368093189.db2.gz JXSLWIRPFKPSOX-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM C#Cc1cccnc1[N-]S(=O)(=O)c1cccc2c(Cl)nccc21 ZINC001194455815 1368265935 /nfs/dbraw/zinc/26/59/35/1368265935.db2.gz JEPTZUZIUUCVLC-UHFFFAOYSA-N -1 0 343.795 3.065 20 30 EGEDRM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2C#N)c(C)c1C ZINC001194865199 1368337877 /nfs/dbraw/zinc/33/78/77/1368337877.db2.gz ZYLOABATJFYKIM-UHFFFAOYSA-N -1 0 348.399 3.432 20 30 EGEDRM N#Cc1c(F)ccc(NC(=O)c2c([O-])c(F)c(F)c(F)c2F)c1F ZINC001195295354 1368415632 /nfs/dbraw/zinc/41/56/32/1368415632.db2.gz JLXPKBDUFKVVCQ-UHFFFAOYSA-N -1 0 346.186 3.351 20 30 EGEDRM Cc1cc(C)c(NC(=O)c2ccc(C#N)cc2[O-])c(Br)n1 ZINC001195733323 1368479321 /nfs/dbraw/zinc/47/93/21/1368479321.db2.gz JUSUCTMZLVZOFP-UHFFFAOYSA-N -1 0 346.184 3.291 20 30 EGEDRM CCC[C@@H](C(=O)c1ccccc1)N(C)C(=O)c1ccc(C#N)cc1[O-] ZINC001195751649 1368482711 /nfs/dbraw/zinc/48/27/11/1368482711.db2.gz WMXHYJBHSVLKLS-KRWDZBQOSA-N -1 0 336.391 3.387 20 30 EGEDRM CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cn2)cc1 ZINC001196245025 1368575436 /nfs/dbraw/zinc/57/54/36/1368575436.db2.gz QKWWFFUSSPCQBT-UHFFFAOYSA-N -1 0 335.816 3.337 20 30 EGEDRM Cc1cc(C#N)c([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)cc1F ZINC001196690933 1368664563 /nfs/dbraw/zinc/66/45/63/1368664563.db2.gz WRCIMJOQDPEDJQ-UHFFFAOYSA-N -1 0 349.774 3.332 20 30 EGEDRM Cc1cc(C#N)cc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)c1 ZINC001196691037 1368664903 /nfs/dbraw/zinc/66/49/03/1368664903.db2.gz ZLCIAPHYVAHMRC-UHFFFAOYSA-N -1 0 331.784 3.193 20 30 EGEDRM N#Cc1cccc(-c2cc(C(=O)[N-]c3noc4cccnc34)no2)c1 ZINC001196756715 1368677054 /nfs/dbraw/zinc/67/70/54/1368677054.db2.gz VEUQCKQPKNCCOQ-UHFFFAOYSA-N -1 0 331.291 3.002 20 30 EGEDRM N#Cc1cccc(O)c1[N-]S(=O)(=O)c1csc2ccccc21 ZINC001186497862 1387955596 /nfs/dbraw/zinc/95/55/96/1387955596.db2.gz ITCSSDNYOZRMKS-UHFFFAOYSA-N -1 0 330.390 3.279 20 30 EGEDRM COc1cc(C#N)c(F)cc1[N-]S(=O)(=O)c1ccc2occc2c1 ZINC001198868369 1369134636 /nfs/dbraw/zinc/13/46/36/1369134636.db2.gz JBKCGFCEBZOZLJ-UHFFFAOYSA-N -1 0 346.339 3.253 20 30 EGEDRM N#Cc1c2c(sc1[N-]C(=O)c1cnoc1C(F)(F)F)CCC2 ZINC001199049435 1369175081 /nfs/dbraw/zinc/17/50/81/1369175081.db2.gz KZVSDFCSTSJFSU-UHFFFAOYSA-N -1 0 327.287 3.368 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2nc(C(C)(C)C)cs2)cc1C#N ZINC001201288192 1369511456 /nfs/dbraw/zinc/51/14/56/1369511456.db2.gz WBALOMDPOIXAGA-UHFFFAOYSA-N -1 0 335.454 3.422 20 30 EGEDRM CC(=O)c1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C)c(C#N)c1 ZINC001201319575 1369518401 /nfs/dbraw/zinc/51/84/01/1369518401.db2.gz BRWUCMIWHGUJPG-UHFFFAOYSA-N -1 0 332.356 3.009 20 30 EGEDRM O=C1C=C2CN(Cc3cc(Cl)cc(Cl)c3[O-])CC[C@H]2S1 ZINC001203575225 1370176200 /nfs/dbraw/zinc/17/62/00/1370176200.db2.gz GXDOBSIQDIRIMD-GFCCVEGCSA-N -1 0 330.236 3.473 20 30 EGEDRM N#Cc1cccc(F)c1[N-]S(=O)(=O)c1cc2c(s1)CCCC2 ZINC001187207247 1388071137 /nfs/dbraw/zinc/07/11/37/1388071137.db2.gz WRDKFAWVHKSWCO-UHFFFAOYSA-N -1 0 336.413 3.438 20 30 EGEDRM O=C(CCc1nc(-c2ccc(C(F)(F)F)cn2)no1)C1=CC=C[CH]1 ZINC001204656293 1370537845 /nfs/dbraw/zinc/53/78/45/1370537845.db2.gz JCWXDJPWVPBQRV-UHFFFAOYSA-N -1 0 334.277 3.353 20 30 EGEDRM Cc1oncc1S(=O)(=O)[N-]c1ccccc1-c1ccc(C#N)cc1 ZINC001187379331 1388101397 /nfs/dbraw/zinc/10/13/97/1388101397.db2.gz INEZYVLRQNKWSG-UHFFFAOYSA-N -1 0 339.376 3.323 20 30 EGEDRM CCOC(=O)c1cc(C)nc(-c2cc(F)c(F)c(C(=O)[O-])c2)c1C#N ZINC001205996812 1370933922 /nfs/dbraw/zinc/93/39/22/1370933922.db2.gz PLGFAGAENOFAIC-UHFFFAOYSA-N -1 0 346.289 3.082 20 30 EGEDRM COCCCON=Cc1cccc(OCc2cccc(C(=O)[O-])c2)c1 ZINC001117102196 1371010994 /nfs/dbraw/zinc/01/09/94/1371010994.db2.gz DEYSZJYVQUBCNV-UHFFFAOYSA-N -1 0 343.379 3.351 20 30 EGEDRM CC[C@@H](C)n1nc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)cc1C ZINC001122498928 1372260461 /nfs/dbraw/zinc/26/04/61/1372260461.db2.gz CJTOWMLMWPERCO-BXUZGUMPSA-N -1 0 348.410 3.178 20 30 EGEDRM COc1cccc(Nc2ccc(Cl)cc2S(=O)(=O)[O-])c1C#N ZINC001210125092 1372276208 /nfs/dbraw/zinc/27/62/08/1372276208.db2.gz WUFGWHMXKKGCQI-UHFFFAOYSA-N -1 0 338.772 3.211 20 30 EGEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1ncc(C)cc1C)c1ccccc1 ZINC001122954774 1372347538 /nfs/dbraw/zinc/34/75/38/1372347538.db2.gz FKKXIDKBQGDWIV-IAGOWNOFSA-N -1 0 335.407 3.288 20 30 EGEDRM CCn1cc(Cl)cc1C([O-])=C(C#N)C(=O)NCc1cccc(C)c1 ZINC001122990085 1372356508 /nfs/dbraw/zinc/35/65/08/1372356508.db2.gz VARJCZQJMCHDIH-HNNXBMFYSA-N -1 0 343.814 3.109 20 30 EGEDRM Cc1c(Nc2cc(C#N)c(F)cc2[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001211295355 1372523338 /nfs/dbraw/zinc/52/33/38/1372523338.db2.gz FFLJXOUHYZWKLS-UHFFFAOYSA-N -1 0 332.247 3.271 20 30 EGEDRM Cc1cc(C)c(Nc2ccc(OCC#N)cc2)c(S(=O)(=O)[O-])c1 ZINC001212610352 1372736886 /nfs/dbraw/zinc/73/68/86/1372736886.db2.gz OXIMDZJEEZZRIH-UHFFFAOYSA-N -1 0 332.381 3.196 20 30 EGEDRM N#Cc1ccc(Cl)nc1Nc1ccc(NC(=O)CCC(=O)[O-])cc1 ZINC001213180814 1372854168 /nfs/dbraw/zinc/85/41/68/1372854168.db2.gz IEBSGUIJEPRCSA-UHFFFAOYSA-N -1 0 344.758 3.154 20 30 EGEDRM N#Cc1ccc(F)cc1[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC001188069549 1388234428 /nfs/dbraw/zinc/23/44/28/1388234428.db2.gz UAYPKLOGCVWDBC-UHFFFAOYSA-N -1 0 346.170 3.200 20 30 EGEDRM N#Cc1cc(F)cc(-c2noc(-c3cc([O-])cc([N+](=O)[O-])c3)n2)c1 ZINC001216924372 1373364403 /nfs/dbraw/zinc/36/44/03/1373364403.db2.gz HIHZQGZZYUTTFX-UHFFFAOYSA-N -1 0 326.243 3.028 20 30 EGEDRM COc1cc(F)c(F)cc1-c1noc(-c2ccc(C#N)cc2[O-])n1 ZINC001217038800 1373381640 /nfs/dbraw/zinc/38/16/40/1373381640.db2.gz HIGMFLYREBMEBU-UHFFFAOYSA-N -1 0 329.262 3.268 20 30 EGEDRM N#Cc1ccc2[n-]c(-c3nc(-c4ccc(F)cc4)no3)cc(=O)c2c1 ZINC001217502773 1373455914 /nfs/dbraw/zinc/45/59/14/1373455914.db2.gz TXFUPSWLPLZADV-UHFFFAOYSA-N -1 0 332.294 3.256 20 30 EGEDRM N#Cc1cc(NC(=O)c2ccc(-c3cncnc3)cc2)c([O-])cc1F ZINC001188540165 1388327066 /nfs/dbraw/zinc/32/70/66/1388327066.db2.gz UCLSKZPBSRKKPP-UHFFFAOYSA-N -1 0 334.310 3.112 20 30 EGEDRM N#Cc1c(OC[C@@H]2Cc3ccccc3O2)[n-]c(=O)cc1C(F)(F)F ZINC001226063569 1375198392 /nfs/dbraw/zinc/19/83/92/1375198392.db2.gz JFNBPAFCJZBPBL-JTQLQIEISA-N -1 0 336.269 3.060 20 30 EGEDRM COc1ccc([C@H](C)Oc2[n-]c(=O)cc(C(F)(F)F)c2C#N)cn1 ZINC001226065302 1375198752 /nfs/dbraw/zinc/19/87/52/1375198752.db2.gz SYRNSVLLUDFBOW-QMMMGPOBSA-N -1 0 339.273 3.221 20 30 EGEDRM C[Si](C)(C)C#C[C@H](Oc1[n-]c(=O)ncc1[N+](=O)[O-])c1ccccc1 ZINC001226332181 1375241684 /nfs/dbraw/zinc/24/16/84/1375241684.db2.gz SXQJHIKGLROICL-AWEZNQCLSA-N -1 0 343.415 3.091 20 30 EGEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ccc(CCCCC)cc1 ZINC001226391197 1375252263 /nfs/dbraw/zinc/25/22/63/1375252263.db2.gz PBVHXCOFDZCXPH-KRWDZBQOSA-N -1 0 342.457 3.257 20 30 EGEDRM C=CC[C@H](CCC)Oc1c([O-])c(C(=O)OC)sc1C(=O)OC ZINC001227620913 1375454214 /nfs/dbraw/zinc/45/42/14/1375454214.db2.gz XBSVZYBXFCNWHT-SECBINFHSA-N -1 0 328.386 3.151 20 30 EGEDRM C=CCC[C@@H](CC)Oc1c([O-])c(C(=O)OCC)oc1C(=O)OCC ZINC001227637238 1375457677 /nfs/dbraw/zinc/45/76/77/1375457677.db2.gz GZYXOTYFMBWTIU-LLVKDONJSA-N -1 0 340.372 3.462 20 30 EGEDRM C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cc(C)ccc1C(C)(C)C ZINC001228192160 1375526717 /nfs/dbraw/zinc/52/67/17/1375526717.db2.gz GKCQCRDCCOHSHG-CQSZACIVSA-N -1 0 342.457 3.130 20 30 EGEDRM C#C[C@@H](C)OC1=CC(=O)C=CC1=NNc1ccc(S(=O)(=O)[O-])cc1 ZINC001229414974 1375830680 /nfs/dbraw/zinc/83/06/80/1375830680.db2.gz VQWQMDORUXSUOU-IEBXDZTQSA-N -1 0 346.364 3.455 20 30 EGEDRM N#Cc1ccc(F)cc1[N-]S(=O)(=O)CCc1ccc(Cl)cc1 ZINC001189104522 1388459064 /nfs/dbraw/zinc/45/90/64/1388459064.db2.gz VGVYNUBGDBDTIN-UHFFFAOYSA-N -1 0 338.791 3.335 20 30 EGEDRM N#Cc1cccc(Oc2nc(-c3cncc(C(=O)[O-])c3)ncc2F)c1 ZINC001241802762 1377020741 /nfs/dbraw/zinc/02/07/41/1377020741.db2.gz JVDWYZFVWWMVJA-UHFFFAOYSA-N -1 0 336.282 3.040 20 30 EGEDRM CC(C)Oc1ccc(C(=O)Nc2cc(C#N)c(F)cc2[O-])cc1C#N ZINC001148774808 1379265902 /nfs/dbraw/zinc/26/59/02/1379265902.db2.gz LTJROEVTSSINRD-UHFFFAOYSA-N -1 0 339.326 3.314 20 30 EGEDRM COc1ccc2ncc([O-])c(C(=O)Nc3sc(C)cc3C#N)c2c1 ZINC001154507542 1380293785 /nfs/dbraw/zinc/29/37/85/1380293785.db2.gz UYVOEDIIPCYGPF-UHFFFAOYSA-N -1 0 339.376 3.443 20 30 EGEDRM N#C[C@H](CCc1ccccc1)C(=O)Nc1c(=O)[nH][n-]c1-c1ccccc1 ZINC001159366833 1381777907 /nfs/dbraw/zinc/77/79/07/1381777907.db2.gz SWBTWGKZFLNVKX-INIZCTEOSA-N -1 0 346.390 3.493 20 30 EGEDRM N#Cc1ccc(Oc2cccc(Nc3cnn(CC(=O)[O-])c3)c2)cc1 ZINC001176274192 1385535402 /nfs/dbraw/zinc/53/54/02/1385535402.db2.gz YITWWDUMHJPZMJ-UHFFFAOYSA-N -1 0 334.335 3.375 20 30 EGEDRM N#Cc1cc(Nc2cc(F)cc(N3CCOCC3)c2)c([O-])cc1F ZINC001176502293 1385607913 /nfs/dbraw/zinc/60/79/13/1385607913.db2.gz VCUMSNMDNBFOTQ-UHFFFAOYSA-N -1 0 331.322 3.122 20 30 EGEDRM CC(C)(C#N)c1ccc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cn1 ZINC001176674448 1385654340 /nfs/dbraw/zinc/65/43/40/1385654340.db2.gz KDKKMXZKZDLXFX-UHFFFAOYSA-N -1 0 326.312 3.233 20 30 EGEDRM CCOC(=O)c1cc(C#N)c(Nc2ccc(C(=O)[O-])cc2)c(C)c1O ZINC001176712490 1385669050 /nfs/dbraw/zinc/66/90/50/1385669050.db2.gz BWEKVUAPEIUPRM-UHFFFAOYSA-N -1 0 340.335 3.191 20 30 EGEDRM N#CCOc1cccc(C/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])c1 ZINC001318461490 1385706384 /nfs/dbraw/zinc/70/63/84/1385706384.db2.gz RFTGFEQMXUMJMY-GRSHGNNSSA-N -1 0 345.742 3.475 20 30 EGEDRM O=C([O-])c1cccc(COc2cccc(CN=Nc3cccnn3)c2)c1 ZINC001318600512 1385783485 /nfs/dbraw/zinc/78/34/85/1385783485.db2.gz WSJPAQGJHOAISJ-UHFFFAOYSA-N -1 0 348.362 3.200 20 30 EGEDRM C#CCN(CC1CC1)C(=O)c1nn(-c2ccc(C(C)C)cc2)cc1[O-] ZINC001319463101 1386133181 /nfs/dbraw/zinc/13/31/81/1386133181.db2.gz ZHEUITURFVFYCH-UHFFFAOYSA-N -1 0 337.423 3.187 20 30 EGEDRM C=CC[C@@H](NC(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001321166190 1386827748 /nfs/dbraw/zinc/82/77/48/1386827748.db2.gz AYVDCILGJMOLEU-GXFFZTMASA-N -1 0 329.318 3.345 20 30 EGEDRM C=CC[C@@H](NC(=O)Nc1ccc(N2CCCC2)c(Cl)c1)C(=O)[O-] ZINC001321278482 1386864894 /nfs/dbraw/zinc/86/48/94/1386864894.db2.gz SNOHGBJLPMTGHX-CYBMUJFWSA-N -1 0 337.807 3.091 20 30 EGEDRM COc1ccc2c(CC(=O)Nc3cc(C#N)c(F)cc3[O-])coc2c1 ZINC001182036241 1387096981 /nfs/dbraw/zinc/09/69/81/1387096981.db2.gz YOJJLWUUXVVWCX-UHFFFAOYSA-N -1 0 340.310 3.339 20 30 EGEDRM CN1CCN(c2ccc(C=CC(=O)c3sccc3[O-])cc2F)CC1 ZINC001339249751 1389959352 /nfs/dbraw/zinc/95/93/52/1389959352.db2.gz GGNMDMWYEQDBEU-HWKANZROSA-N -1 0 346.427 3.241 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(C)cc(Cl)n2)n1 ZINC001342371126 1390606007 /nfs/dbraw/zinc/60/60/07/1390606007.db2.gz KQKOKAACMBQYCB-VIFPVBQESA-N -1 0 349.799 3.167 20 30 EGEDRM CC(C)NC(=O)C(C#N)=C([O-])c1nc(-c2ccccc2)oc1C(C)C ZINC001342539975 1390623983 /nfs/dbraw/zinc/62/39/83/1390623983.db2.gz WVGZAKBSNLRMNU-AWEZNQCLSA-N -1 0 339.395 3.312 20 30 EGEDRM CC(C)Oc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(CC#N)cc1 ZINC001343713858 1390732902 /nfs/dbraw/zinc/73/29/02/1390732902.db2.gz XAXYDFWKIQXLCL-UHFFFAOYSA-N -1 0 346.408 3.046 20 30 EGEDRM C=C(C)Cn1c(-c2c[n-]n(CC)c2=O)nnc1N1CCC[C@H](CC)C1 ZINC001343967304 1390747158 /nfs/dbraw/zinc/74/71/58/1390747158.db2.gz XMBQVHCZMIMBCH-AWEZNQCLSA-N -1 0 344.463 3.070 20 30 EGEDRM C=CC[C@@H](NC(=O)N[C@H](C)c1nc(-c2ccccc2)cs1)C(=O)[O-] ZINC001344466052 1390793117 /nfs/dbraw/zinc/79/31/17/1390793117.db2.gz XHQVQMKUVYRVCU-DGCLKSJQSA-N -1 0 345.424 3.200 20 30 EGEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1cnc(C2CC2)o1)c1ccccc1 ZINC001344525885 1390797395 /nfs/dbraw/zinc/79/73/95/1390797395.db2.gz GHEOSYSSUKAEQU-CABCVRRESA-N -1 0 337.379 3.142 20 30 EGEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1cc(C)nc(C)c1)c1ccccc1 ZINC001344580848 1390800942 /nfs/dbraw/zinc/80/09/42/1390800942.db2.gz URJKBVZJLDQAAT-ZWKOTPCHSA-N -1 0 335.407 3.288 20 30 EGEDRM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cnc(CC(C)C)s3)nc1-2 ZINC001347286469 1391047964 /nfs/dbraw/zinc/04/79/64/1391047964.db2.gz NHFMHRKYINPHRZ-NSHDSACASA-N -1 0 339.424 3.411 20 30 EGEDRM C#Cc1cccc(N(CC)C(=S)Nc2ccccc2-c2nn[n-]n2)c1 ZINC000735391914 1429219539 /nfs/dbraw/zinc/21/95/39/1429219539.db2.gz XUKYBFRVSJJALH-UHFFFAOYSA-N -1 0 348.435 3.071 20 30 EGEDRM C[C@H](Nc1ccc2cc(-c3nn[n-]n3)ccc2n1)c1cccc(C#N)c1 ZINC000824662026 1429489759 /nfs/dbraw/zinc/48/97/59/1429489759.db2.gz ALFSCGMNSJDEIB-LBPRGKRZSA-N -1 0 341.378 3.460 20 30 EGEDRM Cc1ccc2oc(C(=O)Nc3ccc(C#N)c(-c4nn[n-]n4)c3)cc2c1 ZINC000737373545 1429629784 /nfs/dbraw/zinc/62/97/84/1429629784.db2.gz IDLDWURKGNDUMO-UHFFFAOYSA-N -1 0 344.334 3.045 20 30 EGEDRM O=C(C=Cc1ccc(F)cc1F)c1ccc(-c2nn[n-]n2)cc1F ZINC000826400581 1425819127 /nfs/dbraw/zinc/81/91/27/1425819127.db2.gz BVKVWBDLMXVZRM-ZZXKWVIFSA-N -1 0 330.269 3.180 20 30 EGEDRM CC(=NNc1ccc(Cl)c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000819773961 1426193564 /nfs/dbraw/zinc/19/35/64/1426193564.db2.gz YMNRKPRROSNDCO-UHFFFAOYSA-N -1 0 330.754 3.495 20 30 EGEDRM Brc1cccc(NN=Cc2cc(-c3nn[n-]n3)cs2)c1 ZINC000819688814 1426607062 /nfs/dbraw/zinc/60/70/62/1426607062.db2.gz NBBCLODEBSEZGR-UHFFFAOYSA-N -1 0 349.217 3.137 20 30 EGEDRM C=CCCC[C@H](C)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823894473 1426695324 /nfs/dbraw/zinc/69/53/24/1426695324.db2.gz QZJKTYMMFWRRRZ-JTQLQIEISA-N -1 0 334.811 3.386 20 30 EGEDRM CCC(Cc1cccs1)N=Nc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000736353733 1426932442 /nfs/dbraw/zinc/93/24/42/1426932442.db2.gz XFNBXPJMKRILCP-UHFFFAOYSA-N -1 0 345.432 3.460 20 30 EGEDRM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ccc(-n2cccn2)cc1 ZINC000822922314 1427065600 /nfs/dbraw/zinc/06/56/00/1427065600.db2.gz FMMAJYSSJYUXRQ-SREVYHEPSA-N -1 0 348.391 3.010 20 30 EGEDRM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1cc2c(s1)CCC2 ZINC000822923781 1427145987 /nfs/dbraw/zinc/14/59/87/1427145987.db2.gz UHATZTVFJMFDDP-SNAWJCMRSA-N -1 0 328.422 3.375 20 30 EGEDRM O=C1c2cc(F)ccc2OCCC1=Cc1cc(-c2nn[n-]n2)cs1 ZINC000823498260 1427236971 /nfs/dbraw/zinc/23/69/71/1427236971.db2.gz JCDCZGKDJKGWBP-UITAMQMPSA-N -1 0 342.355 3.116 20 30 EGEDRM CC1=CCC[C@H](C)[C@@H]1CN=Nc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000824852627 1427522097 /nfs/dbraw/zinc/52/20/97/1427522097.db2.gz OSXCPCWUFZQIRA-NWDGAFQWSA-N -1 0 329.408 3.368 20 30 EGEDRM O=C(C=Cc1cc(F)c(F)c(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000737794975 1428019976 /nfs/dbraw/zinc/01/99/76/1428019976.db2.gz HLNJJFVGLVCZEC-PLNGDYQASA-N -1 0 330.269 3.180 20 30 EGEDRM Cc1cc(C)cc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)c1 ZINC000737251197 1428084010 /nfs/dbraw/zinc/08/40/10/1428084010.db2.gz BYZKIIBBWFEPMI-PLNGDYQASA-N -1 0 344.378 3.027 20 30 EGEDRM O=C(C=Cc1c[nH]c(-c2ccccc2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000737798038 1441885102 /nfs/dbraw/zinc/88/51/02/1441885102.db2.gz SVXHTYZFAXPIAA-KTKRTIGZSA-N -1 0 342.362 3.153 20 30 EGEDRM Cc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1F ZINC000826285698 1443096846 /nfs/dbraw/zinc/09/68/46/1443096846.db2.gz HOOHAOHPDUYGEJ-DAXSKMNVSA-N -1 0 326.306 3.349 20 30 EGEDRM N#CCC1CCN(c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)CC1 ZINC000826380437 1443227750 /nfs/dbraw/zinc/22/77/50/1443227750.db2.gz AEMJCSTUCHVQAY-UHFFFAOYSA-N -1 0 336.321 3.016 20 30 EGEDRM Cc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)ccc1F ZINC000826266397 1443290603 /nfs/dbraw/zinc/29/06/03/1443290603.db2.gz NMGNXPRIXAMKQY-CLTKARDFSA-N -1 0 326.306 3.349 20 30 EGEDRM CCC(=NNc1cccc(-c2nn[n-]n2)c1)c1cc(F)ccc1F ZINC000820832730 1443434263 /nfs/dbraw/zinc/43/42/63/1443434263.db2.gz NFZHPLYXAOBPMD-UHFFFAOYSA-N -1 0 328.326 3.371 20 30 EGEDRM CC[C@H]1C[C@H](CN=Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CCO1 ZINC000825181729 1443463420 /nfs/dbraw/zinc/46/34/20/1443463420.db2.gz FXCPHJWYLJGDBO-PWSUYJOCSA-N -1 0 334.811 3.123 20 30 EGEDRM Cc1ccc(F)cc1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000826289472 1443512446 /nfs/dbraw/zinc/51/24/46/1443512446.db2.gz BNIWKGQVNVEEGI-QPJJXVBHSA-N -1 0 326.306 3.349 20 30 EGEDRM CC(C)CO[C@H]1CC(N=Nc2ccc(-c3nn[n-]n3)cc2)C1(C)C ZINC000735838616 1443580612 /nfs/dbraw/zinc/58/06/12/1443580612.db2.gz IMTBCBBCUPQDFU-HNNXBMFYSA-N -1 0 328.420 3.106 20 30 EGEDRM Cc1ccoc1C=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822379155 1446212634 /nfs/dbraw/zinc/21/26/34/1446212634.db2.gz LJCOQTWGRHWXOV-UHFFFAOYSA-N -1 0 336.277 3.233 20 30 EGEDRM N#Cc1ccc(Oc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c(Cl)c1 ZINC000822832678 1446407022 /nfs/dbraw/zinc/40/70/22/1446407022.db2.gz DSXYTUPGKRDBKY-UHFFFAOYSA-N -1 0 342.702 3.092 20 30 EGEDRM Cc1cccc(CN=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)c1C ZINC000737392560 1446552273 /nfs/dbraw/zinc/55/22/73/1446552273.db2.gz YJOYCLOLKFXZAZ-UHFFFAOYSA-N -1 0 339.403 3.215 20 30 EGEDRM Cc1ccc2c(C)cc(NN=Cc3ccc(-c4nn[n-]n4)o3)nc2c1C ZINC000822275028 1446590065 /nfs/dbraw/zinc/59/00/65/1446590065.db2.gz NOOKOZOAEPPMCX-UHFFFAOYSA-N -1 0 347.382 3.379 20 30 EGEDRM C=CCN(Cc1ccccc1)C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000823919759 1447003305 /nfs/dbraw/zinc/00/33/05/1447003305.db2.gz PHDZXCBPOSEGHG-UHFFFAOYSA-N -1 0 333.395 3.004 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)c(F)c1 ZINC001601092936 970930960 /nfs/dbraw/zinc/93/09/60/970930960.db2.gz DIZITSVJMMRGBS-UHFFFAOYSA-N -1 0 336.681 3.440 20 30 EGEDRM C=CCCCCCCNS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C ZINC000323311647 970988786 /nfs/dbraw/zinc/98/87/86/970988786.db2.gz DBVDSWRWHGBXOL-UHFFFAOYSA-N -1 0 343.420 3.247 20 30 EGEDRM C#CC[C@H](Cc1ccccc1)NC(=O)Nc1ccccc1CC(=O)[O-] ZINC001602675492 971249766 /nfs/dbraw/zinc/24/97/66/971249766.db2.gz WYDJZMZZZWKWHX-QGZVFWFLSA-N -1 0 336.391 3.070 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)C1(Cc2cccc(Cl)c2)CCCCC1 ZINC001602682858 971270970 /nfs/dbraw/zinc/27/09/70/971270970.db2.gz VVRJEUDUTFRCRW-UHFFFAOYSA-N -1 0 347.842 3.379 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)c1ccc(CSc2ccccc2)cc1 ZINC001602691796 971298478 /nfs/dbraw/zinc/29/84/78/971298478.db2.gz ZKKLAVXZWDFJIE-UHFFFAOYSA-N -1 0 339.416 3.139 20 30 EGEDRM N#CCCCOc1cccc(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c1 ZINC000326705321 971319523 /nfs/dbraw/zinc/31/95/23/971319523.db2.gz WAIBCZVGWYATRC-KGLIPLIRSA-N -1 0 330.384 3.199 20 30 EGEDRM CC[C@@]1(C(=O)[O-])CCCN(c2c(Br)cccc2C#N)C1 ZINC001589608455 949308088 /nfs/dbraw/zinc/30/80/88/949308088.db2.gz VVWVVRCTFQDWTD-OAHLLOKOSA-N -1 0 337.217 3.402 20 30 EGEDRM CCCN(C(=O)/C=C/c1ccc(C(=O)[O-])o1)c1snc(C)c1C#N ZINC001589659185 949838963 /nfs/dbraw/zinc/83/89/63/949838963.db2.gz MEXGVCRXLDZDGD-FNORWQNLSA-N -1 0 345.380 3.071 20 30 EGEDRM C[C@@H]1CCc2sc(NC(=O)[C@H](C(=O)[O-])C3CC3)c(C#N)c2[C@@H]1C ZINC001589365801 954190546 /nfs/dbraw/zinc/19/05/46/954190546.db2.gz WMSOUMOWNSWHGW-RFXMVYNHSA-N -1 0 332.425 3.355 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 ZINC000819848192 955456255 /nfs/dbraw/zinc/45/62/55/955456255.db2.gz RAVQAMKSGZDNJJ-XLIONFOSSA-N -1 0 347.374 3.285 20 30 EGEDRM N#CCCN(Cc1ccco1)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000821324469 955498800 /nfs/dbraw/zinc/49/88/00/955498800.db2.gz FXZQBXDXLMAKJS-UHFFFAOYSA-N -1 0 331.303 3.065 20 30 EGEDRM N#C[C@@H](NC(=O)C1(C(=O)[O-])CC=CC1)c1cccc(Cl)c1Cl ZINC001594601955 956140727 /nfs/dbraw/zinc/14/07/27/956140727.db2.gz SPKKAWCTKHRGFG-LLVKDONJSA-N -1 0 339.178 3.095 20 30 EGEDRM N#Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CC[C@H]3C(=O)[O-])cc2)cc1 ZINC001594625210 956308297 /nfs/dbraw/zinc/30/82/97/956308297.db2.gz JRMPVVXBBBHCAO-IAGOWNOFSA-N -1 0 336.347 3.400 20 30 EGEDRM CC(C)(C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21)c1ccc(C#N)cc1 ZINC000902014250 956603969 /nfs/dbraw/zinc/60/39/69/956603969.db2.gz CMPBPRSVYKENIF-ZWKOTPCHSA-N -1 0 348.402 3.265 20 30 EGEDRM CCOc1ccc(C(=O)/C=C/c2ccc(OCC(=O)[O-])cc2)cc1 ZINC000021274606 957150767 /nfs/dbraw/zinc/15/07/67/957150767.db2.gz DUDGXIZYTSCANP-LFYBBSHMSA-N -1 0 326.348 3.445 20 30 EGEDRM COc1cc(C#N)cc(Cl)c1OC(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001594050130 957973087 /nfs/dbraw/zinc/97/30/87/957973087.db2.gz SLEGJYZHRSKRTP-HYXAFXHYSA-N -1 0 347.710 3.130 20 30 EGEDRM C#C[C@H](NC(=O)NCc1ccccc1C(=O)[O-])c1ccc(Cl)cc1 ZINC001588386371 957978156 /nfs/dbraw/zinc/97/81/56/957978156.db2.gz PZLNIBPCPVLQBB-INIZCTEOSA-N -1 0 342.782 3.212 20 30 EGEDRM C#CC[C@H]1CCCN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)C1 ZINC001588391328 958021975 /nfs/dbraw/zinc/02/19/75/958021975.db2.gz FNOTWCLHKRYZRM-JTQLQIEISA-N -1 0 338.766 3.445 20 30 EGEDRM C[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])C1(c2ccccc2)CCCC1 ZINC001603216707 972331451 /nfs/dbraw/zinc/33/14/51/972331451.db2.gz VHWIVOHVDZLVIA-RDTXWAMCSA-N -1 0 328.412 3.008 20 30 EGEDRM C#CCO[C@H](C)C(=O)Nc1scc(-c2ccsc2)c1C(=O)[O-] ZINC001588431683 958273676 /nfs/dbraw/zinc/27/36/76/958273676.db2.gz VFJFHXWPXAOEHS-SECBINFHSA-N -1 0 335.406 3.152 20 30 EGEDRM C#Cc1ccc(NC(=O)N2CCC[C@](CC)(C(=O)[O-])C2)c(Cl)c1 ZINC001588438901 958306084 /nfs/dbraw/zinc/30/60/84/958306084.db2.gz IWXHLSKEUQWDSD-KRWDZBQOSA-N -1 0 334.803 3.430 20 30 EGEDRM C#Cc1cccc(CNC(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)c1 ZINC001588439533 958320044 /nfs/dbraw/zinc/32/00/44/958320044.db2.gz XGVVTADLWLDLCB-UHFFFAOYSA-N -1 0 346.745 3.480 20 30 EGEDRM C#Cc1ccccc1CC(=O)N1C[C@H](CCC(=O)[O-])Cc2ccccc21 ZINC001588439829 958324731 /nfs/dbraw/zinc/32/47/31/958324731.db2.gz SZLWVTFHOASDHX-MRXNPFEDSA-N -1 0 347.414 3.281 20 30 EGEDRM C#C[C@H](NC(=O)Nc1cccnc1C(=O)[O-])c1ccc(Cl)cc1F ZINC001573317968 958457058 /nfs/dbraw/zinc/45/70/58/958457058.db2.gz JBSJIUSWIALYSL-LBPRGKRZSA-N -1 0 347.733 3.068 20 30 EGEDRM C#CCSc1ccc(COC(=O)[C@H](C(=O)[O-])C2CCCC2)cc1 ZINC001573327377 958488299 /nfs/dbraw/zinc/48/82/99/958488299.db2.gz MRZQOFGUZIPRAE-INIZCTEOSA-N -1 0 332.421 3.346 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1ccc(-c2cccs2)cc1 ZINC001588558514 959087523 /nfs/dbraw/zinc/08/75/23/959087523.db2.gz XWEOOSJIWKWDHR-KRWDZBQOSA-N -1 0 328.393 3.036 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NCC1(c2ccc(Cl)cc2)CCCC1 ZINC001588558587 959089590 /nfs/dbraw/zinc/08/95/90/959089590.db2.gz YYZPZKJVDSZEGE-QGZVFWFLSA-N -1 0 348.830 3.273 20 30 EGEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001573554828 959249152 /nfs/dbraw/zinc/24/91/52/959249152.db2.gz HMLDASRJGNPKMK-GQCTYLIASA-N -1 0 340.335 3.289 20 30 EGEDRM CC(C)(C)CC[C@@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)C(=O)[O-] ZINC001588647381 959745798 /nfs/dbraw/zinc/74/57/98/959745798.db2.gz FKRFIVVSOYEKAT-OAHLLOKOSA-N -1 0 330.428 3.497 20 30 EGEDRM Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@@H](C)C(=O)[O-] ZINC001574333381 960900096 /nfs/dbraw/zinc/90/00/96/960900096.db2.gz OXMJVIPMQZBUAA-CYBMUJFWSA-N -1 0 340.354 3.260 20 30 EGEDRM N#Cc1cccc2[nH]cc(C(=O)N[C@@H]3C[C@@H](C(=O)[O-])c4ccccc43)c21 ZINC001574489668 961706503 /nfs/dbraw/zinc/70/65/03/961706503.db2.gz MARSGZGIGZPIFL-RHSMWYFYSA-N -1 0 345.358 3.083 20 30 EGEDRM C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCCC(=O)[O-] ZINC001588989782 962803796 /nfs/dbraw/zinc/80/37/96/962803796.db2.gz ZVGJNNFIEVAYHV-NSHDSACASA-N -1 0 338.454 3.227 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H](c1ccccc1)c1cccc(F)c1 ZINC001573332737 962840440 /nfs/dbraw/zinc/84/04/40/962840440.db2.gz OEIYYCIZCOVZAG-SFHVURJKSA-N -1 0 327.355 3.452 20 30 EGEDRM C=C[C@H](C(=O)NC[C@@H](C(=O)[O-])c1ccc(F)cc1)c1ccccc1 ZINC001573345410 962933727 /nfs/dbraw/zinc/93/37/27/962933727.db2.gz SKGPGUVYMYGUFL-DLBZAZTESA-N -1 0 327.355 3.080 20 30 EGEDRM C=CCCC(C)(C)CNC(=O)NCCOc1ccc(C(=O)[O-])cc1 ZINC001573353596 963005037 /nfs/dbraw/zinc/00/50/37/963005037.db2.gz ZSXOVJWCZSNAMM-UHFFFAOYSA-N -1 0 334.416 3.055 20 30 EGEDRM C=CCCC[C@@H](NC(=O)C(C)(C)Cc1nc2ccccc2[nH]1)C(=O)[O-] ZINC001573356635 963008738 /nfs/dbraw/zinc/00/87/38/963008738.db2.gz FKBIGVAAJVNVJK-OAHLLOKOSA-N -1 0 343.427 3.057 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1ccccc1NCc1ccco1)C(=O)[O-] ZINC001573367294 963063838 /nfs/dbraw/zinc/06/38/38/963063838.db2.gz UEDDPYVNKMMWAM-QGZVFWFLSA-N -1 0 342.395 3.431 20 30 EGEDRM C=CCN(Cc1cccc(C#N)c1)C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001573368063 963073582 /nfs/dbraw/zinc/07/35/82/963073582.db2.gz HIIGJUOWOPWADH-CLFYSBASSA-N -1 0 336.347 3.077 20 30 EGEDRM C#CC[C@H](NC(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1ccccc1 ZINC001263062751 969694558 /nfs/dbraw/zinc/69/45/58/969694558.db2.gz CLOITABEJIACQF-WBVHZDCISA-N -1 0 328.412 3.037 20 30 EGEDRM C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CCC(C(=O)[O-])CC1 ZINC001609626284 970426813 /nfs/dbraw/zinc/42/68/13/970426813.db2.gz OGSWBTZCJQGCGM-UHFFFAOYSA-N -1 0 344.415 3.032 20 30 EGEDRM Cc1cc(N2CCCCCC2)ccc1NC(=O)[C@](C)(C#N)CC(=O)[O-] ZINC001605195104 972923943 /nfs/dbraw/zinc/92/39/43/972923943.db2.gz ZPGPLQFFCKRPNM-IBGZPJMESA-N -1 0 343.427 3.319 20 30 EGEDRM C[C@H]1Cc2c(C#N)c(NC(=O)C3(C(=O)[O-])CCC3)sc2[C@H](C)C1 ZINC001603476846 973372641 /nfs/dbraw/zinc/37/26/41/973372641.db2.gz ZFBWICWCYPTGPF-NXEZZACHSA-N -1 0 332.425 3.499 20 30 EGEDRM N#Cc1cc(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])ccc1Cl ZINC001605592123 973892854 /nfs/dbraw/zinc/89/28/54/973892854.db2.gz WHWKMYBELUWRLL-VQISRLSMSA-N -1 0 332.787 3.070 20 30 EGEDRM N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001605612994 973931029 /nfs/dbraw/zinc/93/10/29/973931029.db2.gz ZEKFQLWUPQVHEN-UABRLCRWSA-N -1 0 336.347 3.056 20 30 EGEDRM N#Cc1cccc([N+](=O)[O-])c1CN1CC[C@@H](C(=O)[O-])c2ccccc21 ZINC001605619632 973938585 /nfs/dbraw/zinc/93/85/85/973938585.db2.gz BZRXEYNASAYOEC-CQSZACIVSA-N -1 0 337.335 3.045 20 30 EGEDRM CCOc1ccc(C#N)cc1NC(=O)N1CCC[C@](CC)(C(=O)[O-])C1 ZINC001603861988 974366493 /nfs/dbraw/zinc/36/64/93/974366493.db2.gz FSAODLGOQYBBSX-SFHVURJKSA-N -1 0 345.399 3.066 20 30 EGEDRM O=C([O-])c1ccc(N=NC2COc3cc(Cl)cc(Cl)c32)nc1 ZINC000763369576 978722218 /nfs/dbraw/zinc/72/22/18/978722218.db2.gz IIUQNSDLMWOQIA-UHFFFAOYSA-N -1 0 338.150 3.295 20 30 EGEDRM CCC(Cc1ccc(OC)c(OC)c1)N=Nc1ccc(C(=O)[O-])cn1 ZINC000763372432 978722784 /nfs/dbraw/zinc/72/27/84/978722784.db2.gz YBEIFSIWVLREQM-UHFFFAOYSA-N -1 0 343.383 3.218 20 30 EGEDRM CC(=O)Nc1ccc(C(=O)/C=C\c2ccc(OCC(=O)[O-])cc2)cc1 ZINC000781551580 978791009 /nfs/dbraw/zinc/79/10/09/978791009.db2.gz LWQYVZYSTZDJMU-WCIBSUBMSA-N -1 0 339.347 3.005 20 30 EGEDRM CC1(C)C(N=Nc2ccc(C(=O)[O-])cn2)C[C@@H]1Oc1ccccc1 ZINC000789032948 978798067 /nfs/dbraw/zinc/79/80/67/978798067.db2.gz AQONDAWHABKLDE-HNNXBMFYSA-N -1 0 325.368 3.425 20 30 EGEDRM C[C@@H](Oc1ccc(/C=C2\Oc3cc(F)cc(F)c3C2=O)cc1)C(=O)[O-] ZINC000794714006 978818423 /nfs/dbraw/zinc/81/84/23/978818423.db2.gz TVXMSPUUIGZYKV-PHKJPBFMSA-N -1 0 346.285 3.433 20 30 EGEDRM Cc1cc([N+](=O)[O-])ccc1NN=Cc1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000807990901 978851914 /nfs/dbraw/zinc/85/19/14/978851914.db2.gz OGMJYPWJVRYWNG-LBPRGKRZSA-N -1 0 343.339 3.201 20 30 EGEDRM COc1cccc(-c2n[nH]cc2C=NNc2cccc(C(=O)[O-])c2)c1 ZINC000814687804 978872694 /nfs/dbraw/zinc/87/26/94/978872694.db2.gz UULJNDKJKXKEAN-UHFFFAOYSA-N -1 0 336.351 3.230 20 30 EGEDRM Cc1ccc(C2N=NC(=S)N2N=Cc2cccc(C(=O)[O-])c2)cc1 ZINC000814727714 978878045 /nfs/dbraw/zinc/87/80/45/978878045.db2.gz VNHOYRVOPFTPHN-UHFFFAOYSA-N -1 0 338.392 3.123 20 30 EGEDRM CC(=NNc1nc2cc(F)c(F)cc2[nH]1)c1ccc(C(=O)[O-])cc1 ZINC000825808872 978941724 /nfs/dbraw/zinc/94/17/24/978941724.db2.gz HQLVWDRUSRJPMC-UHFFFAOYSA-N -1 0 330.294 3.375 20 30 EGEDRM C=CCCOCCCCC(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21 ZINC000833374798 979173383 /nfs/dbraw/zinc/17/33/83/979173383.db2.gz FAXNDSIXIVHMFO-MRXNPFEDSA-N -1 0 331.412 3.355 20 30 EGEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC001592833342 979570747 /nfs/dbraw/zinc/57/07/47/979570747.db2.gz GBGXAUDJZBCECY-SWLSCSKDSA-N -1 0 342.420 3.131 20 30 EGEDRM C[C@@](Cc1ccc(Cl)cc1)(NC(=O)c1ccc(C#N)cc1)C(=O)[O-] ZINC001592840937 979610877 /nfs/dbraw/zinc/61/08/77/979610877.db2.gz VEJIMMWHZYCVLW-SFHVURJKSA-N -1 0 342.782 3.027 20 30 EGEDRM CCC[C@@H](C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1ccccn1 ZINC001595537967 981389545 /nfs/dbraw/zinc/38/95/45/981389545.db2.gz PAOXJWPJAKGQLV-NVXWUHKLSA-N -1 0 338.363 3.206 20 30 EGEDRM C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC000910360167 981891021 /nfs/dbraw/zinc/89/10/21/981891021.db2.gz YCHPNIAEDNXOEX-RDJZCZTQSA-N -1 0 325.364 3.458 20 30 EGEDRM CCCC[C@H](Sc1ncc(Br)cc1C#N)C(=O)[O-] ZINC001595657933 982067245 /nfs/dbraw/zinc/06/72/45/982067245.db2.gz VIZUDWSEYYNBPC-JTQLQIEISA-N -1 0 329.219 3.451 20 30 EGEDRM C=CCCC[C@H](NC(=O)[C@H](C)c1cn(C)c2ccccc12)C(=O)[O-] ZINC000910917766 982164580 /nfs/dbraw/zinc/16/45/80/982164580.db2.gz VIKXGRGNEJKUJM-CJNGLKHVSA-N -1 0 328.412 3.208 20 30 EGEDRM CCCCCCCC(=O)N[C@](C)(Cn1cnc2ccccc21)C(=O)[O-] ZINC001595702031 982260460 /nfs/dbraw/zinc/26/04/60/982260460.db2.gz AQWYQQQNZTYQIQ-LJQANCHMSA-N -1 0 345.443 3.356 20 30 EGEDRM CCCCCCCCOCC(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001595704303 982273227 /nfs/dbraw/zinc/27/32/27/982273227.db2.gz DFXSUPMHDDLZCH-YJBOKZPZSA-N -1 0 325.449 3.077 20 30 EGEDRM CCCCCCC[C@H](C)CN1C(=O)[C@@H]2C[C@@H](C(=O)[O-])CCN2C1=O ZINC001595704929 982280585 /nfs/dbraw/zinc/28/05/85/982280585.db2.gz LNCJFCCJLITZNQ-KKUMJFAQSA-N -1 0 338.448 3.110 20 30 EGEDRM CCCCCCCC[C@@H](C)CC(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC001595705223 982282745 /nfs/dbraw/zinc/28/27/45/982282745.db2.gz RRGMPGMNRQMCIV-OAHLLOKOSA-N -1 0 327.465 3.201 20 30 EGEDRM CC[C@H](C)[C@@H](NC(=O)c1ccc(C#Cc2ccccc2)cc1)C(=O)[O-] ZINC001594912795 982425564 /nfs/dbraw/zinc/42/55/64/982425564.db2.gz UPKWKUNGMNCVLV-HNAYVOBHSA-N -1 0 335.403 3.316 20 30 EGEDRM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000911746291 982627677 /nfs/dbraw/zinc/62/76/77/982627677.db2.gz HGKYVSZUXRHPGT-IRXDYDNUSA-N -1 0 347.459 3.260 20 30 EGEDRM CCCN(C(=O)/C=C/c1cc(C(=O)[O-])co1)c1snc(C)c1C#N ZINC001595816080 982670120 /nfs/dbraw/zinc/67/01/20/982670120.db2.gz GHIDSZPFAOZJQQ-SNAWJCMRSA-N -1 0 345.380 3.071 20 30 EGEDRM N#CC1(C(=O)NC[C@H]2CCCc3ccc(C(=O)[O-])cc32)CC2(CC2)C1 ZINC000923094769 982719538 /nfs/dbraw/zinc/71/95/38/982719538.db2.gz SOGBZMBEJBLEOS-OAHLLOKOSA-N -1 0 338.407 3.005 20 30 EGEDRM CCCNc1ccc(C#N)cc1NC(=O)c1ccc(C(=O)[O-])cc1F ZINC001595937289 983083181 /nfs/dbraw/zinc/08/31/81/983083181.db2.gz YRFDSDHKHQRDER-UHFFFAOYSA-N -1 0 341.342 3.470 20 30 EGEDRM C#C[C@@H](CC)NC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC001588369282 983312514 /nfs/dbraw/zinc/31/25/14/983312514.db2.gz HSEKOTWDGFSTSN-SFHVURJKSA-N -1 0 346.386 3.318 20 30 EGEDRM C#C[C@H](NC(=O)Nc1cc(C(=O)[O-])sc1C)c1ccc(F)cc1 ZINC001588373247 983337447 /nfs/dbraw/zinc/33/74/47/983337447.db2.gz BVXGJXMJJOCZEM-LBPRGKRZSA-N -1 0 332.356 3.390 20 30 EGEDRM C#C[C@H](NC(=O)Nc1ccc(C(=O)[O-])cn1)c1ccc(Cl)cc1F ZINC001588373839 983339945 /nfs/dbraw/zinc/33/99/45/983339945.db2.gz KMAUNBCWBQIVOL-ZDUSSCGKSA-N -1 0 347.733 3.068 20 30 EGEDRM C#C[C@H](NC(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1)c1ccccc1 ZINC001588374116 983341751 /nfs/dbraw/zinc/34/17/51/983341751.db2.gz OTQWDSIFGZZANE-KSSFIOAISA-N -1 0 336.391 3.446 20 30 EGEDRM C#C[C@H](NC(=O)c1ccsc1C(=O)[O-])c1ccc(Cl)cc1F ZINC001588376672 983353078 /nfs/dbraw/zinc/35/30/78/983353078.db2.gz FWEOCDJPRMIWPD-LBPRGKRZSA-N -1 0 337.759 3.343 20 30 EGEDRM C#CCN(Cc1ccc(F)cc1)C(=O)CC1(CC(=O)[O-])CCCC1 ZINC001588469729 983502759 /nfs/dbraw/zinc/50/27/59/983502759.db2.gz PBGQYEZOWNTWDF-UHFFFAOYSA-N -1 0 331.387 3.213 20 30 EGEDRM CCN(C(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-])[C@@H](C)c1ccc(C#N)cc1 ZINC001596156357 983515364 /nfs/dbraw/zinc/51/53/64/983515364.db2.gz XMRAMEQDNHVPRP-XKQJLSEDSA-N -1 0 328.412 3.359 20 30 EGEDRM C#Cc1cccc(CNC(=O)Nc2ccc(F)c(C(=O)[O-])c2C)c1 ZINC001588522327 983570786 /nfs/dbraw/zinc/57/07/86/983570786.db2.gz QBPOQLRGQIFUNR-UHFFFAOYSA-N -1 0 326.327 3.135 20 30 EGEDRM C=C(C)[C@H]1OCC[C@@H]1CNc1ncc(C(=O)[O-])cc1C(F)(F)F ZINC001588534601 983586279 /nfs/dbraw/zinc/58/62/79/983586279.db2.gz BCYWGTXKNPRWRT-BXKDBHETSA-N -1 0 330.306 3.192 20 30 EGEDRM C=C(C)C[C@H](CO)NC(=O)Nc1cccc2cc(C(=O)[O-])sc21 ZINC001588537824 983602208 /nfs/dbraw/zinc/60/22/08/983602208.db2.gz YZTLOXAQIBOBCE-LLVKDONJSA-N -1 0 334.397 3.048 20 30 EGEDRM C=C(C)C[C@H](NC(=O)c1cc(Br)ccc1Cl)C(=O)[O-] ZINC001588544232 983613939 /nfs/dbraw/zinc/61/39/39/983613939.db2.gz YSDFUEXDIHDHRH-NSHDSACASA-N -1 0 346.608 3.252 20 30 EGEDRM C=C(C)CN(CC)C(=O)CNc1cc2ccccc2cc1C(=O)[O-] ZINC001588562654 983643403 /nfs/dbraw/zinc/64/34/03/983643403.db2.gz DGHOZILTTBFSQO-UHFFFAOYSA-N -1 0 326.396 3.375 20 30 EGEDRM C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccccc1C(=O)[O-] ZINC001588567696 983647356 /nfs/dbraw/zinc/64/73/56/983647356.db2.gz QNYWCKMHFAMZPM-UHFFFAOYSA-N -1 0 344.367 3.080 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(NC(=O)c2ccco2)c(C)c1 ZINC001588629800 983739475 /nfs/dbraw/zinc/73/94/75/983739475.db2.gz UWAAVZSVMOEKAK-UHFFFAOYSA-N -1 0 342.351 3.200 20 30 EGEDRM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1cc(COC)cc(C(=O)[O-])c1 ZINC001588644201 983768783 /nfs/dbraw/zinc/76/87/83/983768783.db2.gz HEIHUKWDCULGIJ-IYBDPMFKSA-N -1 0 330.384 3.246 20 30 EGEDRM C=C[C@H](C(=O)Nc1nc(CCCC(=O)[O-])cs1)c1ccccc1 ZINC001588664231 983798905 /nfs/dbraw/zinc/79/89/05/983798905.db2.gz OSKHIQUTRBQZHG-AWEZNQCLSA-N -1 0 330.409 3.459 20 30 EGEDRM C=CCC(C)(C)CNC(=O)N1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC001588736662 984026043 /nfs/dbraw/zinc/02/60/43/984026043.db2.gz QUUIFTIYNLCEKE-UHFFFAOYSA-N -1 0 334.391 3.194 20 30 EGEDRM C=CC[C@@H](Sc1nnc(-c2ccco2)n1Cc1ccco1)C(=O)[O-] ZINC001588761734 984114289 /nfs/dbraw/zinc/11/42/89/984114289.db2.gz AVSQPCJWJLTWIR-CYBMUJFWSA-N -1 0 345.380 3.301 20 30 EGEDRM C=CC[C@H]1CCCN(S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)C1 ZINC001588773084 984146550 /nfs/dbraw/zinc/14/65/50/984146550.db2.gz WBLYKRJAPPZVHL-NSHDSACASA-N -1 0 343.832 3.015 20 30 EGEDRM C=CC[C@H]1N(C(=O)Nc2nc(CC(=O)[O-])cs2)CCCC1(C)C ZINC001588774365 984151360 /nfs/dbraw/zinc/15/13/60/984151360.db2.gz WCSNHYVAYWIREM-GFCCVEGCSA-N -1 0 337.445 3.369 20 30 EGEDRM C=CCCC(C)(C)CNC(=O)Nc1ccc(C(=O)[O-])c(C(=O)OC)c1 ZINC001588776822 984153655 /nfs/dbraw/zinc/15/36/55/984153655.db2.gz IPBOQDBQHWIZGQ-UHFFFAOYSA-N -1 0 348.399 3.285 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1cc2ccnc(Cl)c2s1)C(=O)[O-] ZINC001588793022 984214938 /nfs/dbraw/zinc/21/49/38/984214938.db2.gz RFDAUHBFRCWTPR-JTQLQIEISA-N -1 0 338.816 3.489 20 30 EGEDRM C=CCCC[C@@H](NC(=O)N1CCC(Cc2ccccc2)CC1)C(=O)[O-] ZINC001588793976 984223731 /nfs/dbraw/zinc/22/37/31/984223731.db2.gz HINLQHNASUJRFY-GOSISDBHSA-N -1 0 344.455 3.460 20 30 EGEDRM C=CCCCCCN(C)S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C ZINC001588799878 984242288 /nfs/dbraw/zinc/24/22/88/984242288.db2.gz NIICNKNTVUTCST-UHFFFAOYSA-N -1 0 343.420 3.199 20 30 EGEDRM C=CCN(C(=O)c1cc(Br)cc(C(=O)[O-])c1)C(C)C ZINC001588820483 984284392 /nfs/dbraw/zinc/28/43/92/984284392.db2.gz FXQRNXOSPNRFAY-UHFFFAOYSA-N -1 0 326.190 3.184 20 30 EGEDRM C=CC[S@](=O)(=NC(=O)c1ccsc1CC(=O)[O-])c1ccccc1 ZINC001588878858 984455498 /nfs/dbraw/zinc/45/54/98/984455498.db2.gz LZWNQIZVILQZKJ-HSZRJFAPSA-N -1 0 349.433 3.229 20 30 EGEDRM C=CC[S@@](=O)(=NC(=O)c1ccccc1C(=O)[O-])c1ccccc1 ZINC001588879209 984457182 /nfs/dbraw/zinc/45/71/82/984457182.db2.gz VWHXCKQVKZLHLM-QHCPKHFHSA-N -1 0 329.377 3.238 20 30 EGEDRM C=CCn1c(N(C)Cc2ccc(C(=O)[O-])cc2)nnc1C(C)(C)C ZINC001588904520 984530068 /nfs/dbraw/zinc/53/00/68/984530068.db2.gz UTVDINBPDUTAQJ-UHFFFAOYSA-N -1 0 328.416 3.096 20 30 EGEDRM C=CCn1c(SCCCCC(=O)[O-])nnc1-c1cccc(OC)c1 ZINC001588907138 984538125 /nfs/dbraw/zinc/53/81/25/984538125.db2.gz BWFQGIZYSNJGGZ-UHFFFAOYSA-N -1 0 347.440 3.487 20 30 EGEDRM C=CCn1cc2ccc(NC(=O)/C=C/c3cc(C(=O)[O-])co3)cc2n1 ZINC001588909384 984543517 /nfs/dbraw/zinc/54/35/17/984543517.db2.gz RRZHMTZZAPQXCI-AATRIKPKSA-N -1 0 337.335 3.165 20 30 EGEDRM CC#CCCCC(=O)NC[C@@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC001588925503 984587445 /nfs/dbraw/zinc/58/74/45/984587445.db2.gz RUTBLSGIAUECCD-GOSISDBHSA-N -1 0 337.419 3.393 20 30 EGEDRM CC(=NOCCOC(C)C)c1cnc2sc(C(=O)[O-])c(C)c2c1 ZINC001589021605 985012599 /nfs/dbraw/zinc/01/25/99/985012599.db2.gz QLBPZEYLECWOMN-UHFFFAOYSA-N -1 0 336.413 3.469 20 30 EGEDRM CC(=O)Nc1cc(Cl)c(NC(=O)CCCCC#N)cc1C(=O)[O-] ZINC001589172951 985534530 /nfs/dbraw/zinc/53/45/30/985534530.db2.gz PLANTBATCFGSKP-UHFFFAOYSA-N -1 0 337.763 3.019 20 30 EGEDRM Cc1[nH]c(C(=O)N[C@@H](CCCC#N)c2ccccc2)c(C)c1C(=O)[O-] ZINC001599953538 985650601 /nfs/dbraw/zinc/65/06/01/985650601.db2.gz VYAYNNJFSQEQIQ-HNNXBMFYSA-N -1 0 339.395 3.495 20 30 EGEDRM Cc1c(C(=O)Nc2c(C(=O)[O-])ccc3ccccc32)cnn1CCC#N ZINC001599983288 986194168 /nfs/dbraw/zinc/19/41/68/986194168.db2.gz JAHNBTUPUQARJB-UHFFFAOYSA-N -1 0 348.362 3.209 20 30 EGEDRM CCOc1cc(C=NNc2cccc(F)c2C(=O)[O-])ccc1OC ZINC001597031665 986450062 /nfs/dbraw/zinc/45/00/62/986450062.db2.gz ABDWAUCORKEYPV-UHFFFAOYSA-N -1 0 332.331 3.377 20 30 EGEDRM C[C@@H](C(=O)[O-])[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)c1ccccc1 ZINC001589462404 986917816 /nfs/dbraw/zinc/91/78/16/986917816.db2.gz PDBFPIZAZXQHNC-MAAHGYRXSA-N -1 0 348.402 3.240 20 30 EGEDRM C[C@H](C(=O)[O-])c1ccc(NC(=O)c2c[nH]c3cccc(C#N)c23)cc1 ZINC001589512238 987147774 /nfs/dbraw/zinc/14/77/74/987147774.db2.gz QASXNGUWQSIPOF-NSHDSACASA-N -1 0 333.347 3.480 20 30 EGEDRM CC(C)(C#N)c1ccc(C(=O)Oc2ccc(CC(=O)[O-])cc2F)cc1 ZINC001589557291 987305699 /nfs/dbraw/zinc/30/56/99/987305699.db2.gz ARVKQPDGFFUWKL-UHFFFAOYSA-N -1 0 341.338 3.473 20 30 EGEDRM CC(C)(C#N)c1ccc(C(=O)OCc2cccc(C(=O)[O-])c2C#N)cc1 ZINC001589557769 987307424 /nfs/dbraw/zinc/30/74/24/987307424.db2.gz GYQBEJFHYRZYAM-UHFFFAOYSA-N -1 0 348.358 3.415 20 30 EGEDRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)Nc2cc(C#N)ccc2F)C1 ZINC001589611209 987461179 /nfs/dbraw/zinc/46/11/79/987461179.db2.gz AOQPPRAJZOSZPM-LBPRGKRZSA-N -1 0 333.363 3.052 20 30 EGEDRM CCc1[nH]c(C(=O)Nc2ccccc2O[C@H](C)C#N)c(C)c1C(=O)[O-] ZINC001597374237 987560854 /nfs/dbraw/zinc/56/08/54/987560854.db2.gz ICTFVVGLHCPGCR-SNVBAGLBSA-N -1 0 341.367 3.127 20 30 EGEDRM CC(C)(C)C#CC(=O)Nc1ncc(Cc2cccc(C(=O)[O-])c2)s1 ZINC001589684343 987721088 /nfs/dbraw/zinc/72/10/88/987721088.db2.gz DDPRAIFFXMRKNU-UHFFFAOYSA-N -1 0 342.420 3.420 20 30 EGEDRM CC(C)(C)C#CC(=O)N[C@@H](C[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC001589684562 987722759 /nfs/dbraw/zinc/72/27/59/987722759.db2.gz JIZLRWDQMQQPSK-WBVHZDCISA-N -1 0 327.424 3.116 20 30 EGEDRM CSc1ccc(NC(=O)N2CCC(CC#N)CC2)cc1C(=O)[O-] ZINC001599816590 988436677 /nfs/dbraw/zinc/43/66/77/988436677.db2.gz IGXYOPBAADYZQV-UHFFFAOYSA-N -1 0 333.413 3.264 20 30 EGEDRM C[C@@H](CF)NC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC001599835049 988728507 /nfs/dbraw/zinc/72/85/07/988728507.db2.gz CWKZVMWZSOEFQI-ZDUSSCGKSA-N -1 0 340.354 3.264 20 30 EGEDRM CC(C)(C)c1ccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)nc1 ZINC001590481648 990075417 /nfs/dbraw/zinc/07/54/17/990075417.db2.gz MRDJJSSJHCZZAY-MRXNPFEDSA-N -1 0 338.363 3.233 20 30 EGEDRM CC(C)(C)c1nc(NC(=O)c2ccccc2CC#N)sc1C(=O)[O-] ZINC001590545846 990185598 /nfs/dbraw/zinc/18/55/98/990185598.db2.gz RJXMXNWXNZYTTE-UHFFFAOYSA-N -1 0 343.408 3.457 20 30 EGEDRM CN(C(=O)c1cccc(SCC#N)c1)C1(C(=O)[O-])CCCCC1 ZINC001598091900 990435778 /nfs/dbraw/zinc/43/57/78/990435778.db2.gz QYNBKFMIVQLUIA-UHFFFAOYSA-N -1 0 332.425 3.162 20 30 EGEDRM CC(C)(Cc1ccc(C#N)cc1)NC(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC001590820244 990653225 /nfs/dbraw/zinc/65/32/25/990653225.db2.gz LAJUFPTUPPRWSK-BQYQJAHWSA-N -1 0 338.363 3.000 20 30 EGEDRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)/C=C/c1ccccc1C#N ZINC001591309278 992265978 /nfs/dbraw/zinc/26/59/78/992265978.db2.gz RBMXKJNTKFFHQW-MDZDMXLPSA-N -1 0 328.412 3.167 20 30 EGEDRM CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001591596454 992822519 /nfs/dbraw/zinc/82/25/19/992822519.db2.gz DMDCCJIVLCZHOB-UHFFFAOYSA-N -1 0 338.367 3.094 20 30 EGEDRM COc1ccc2ncc(C#N)c(OCc3ccc(C(=O)[O-])cc3)c2c1 ZINC001599638272 994321414 /nfs/dbraw/zinc/32/14/14/994321414.db2.gz ZULBRJAOUZTYLC-UHFFFAOYSA-N -1 0 334.331 3.392 20 30 EGEDRM C[C@@H](c1cccc(C#N)c1)n1cc(CC2(C(=O)[O-])CCCCC2)nn1 ZINC001593698394 996164118 /nfs/dbraw/zinc/16/41/18/996164118.db2.gz IUKXRCOWRNMTDP-AWEZNQCLSA-N -1 0 338.411 3.337 20 30 EGEDRM C[C@H](c1cccc(C#N)c1)N(C)C(=O)c1ccc(C(=O)[O-])cc1F ZINC001593699750 996171942 /nfs/dbraw/zinc/17/19/42/996171942.db2.gz XKCCRDPFLDRKGF-LLVKDONJSA-N -1 0 326.327 3.229 20 30 EGEDRM CC1(C)CCc2sc(NC(=O)c3ccc(C(=O)[O-])o3)c(C#N)c21 ZINC001593924360 996846871 /nfs/dbraw/zinc/84/68/71/996846871.db2.gz FSFZSQIHPRGIDU-UHFFFAOYSA-N -1 0 330.365 3.387 20 30 EGEDRM COc1cc(C=NO[C@H](C)c2nc(C(=O)[O-])co2)ccc1OC(C)C ZINC001599400196 997200998 /nfs/dbraw/zinc/20/09/98/997200998.db2.gz NSKQPNMOLPWEGQ-LLVKDONJSA-N -1 0 348.355 3.280 20 30 EGEDRM COc1cc(C(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)ccc1C#N ZINC001599356159 998182235 /nfs/dbraw/zinc/18/22/35/998182235.db2.gz XBILQWLDYRWHHJ-UHFFFAOYSA-N -1 0 348.717 3.310 20 30 EGEDRM COCCOc1ccc(C(C)N=Nc2cccc(F)c2C(=O)[O-])cc1 ZINC001599257934 998336010 /nfs/dbraw/zinc/33/60/10/998336010.db2.gz FGMBXESXTAFQCT-UHFFFAOYSA-N -1 0 346.358 3.385 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1NC(=O)Nc1ccc(CCC#N)cc1 ZINC001599374325 998463040 /nfs/dbraw/zinc/46/30/40/998463040.db2.gz MGVIEDRSWBEIIU-UHFFFAOYSA-N -1 0 339.351 3.494 20 30 EGEDRM COc1ccc(C#N)cc1COC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001599477003 998549221 /nfs/dbraw/zinc/54/92/21/998549221.db2.gz SJIXCXVENASNKZ-UHFFFAOYSA-N -1 0 345.738 3.275 20 30 EGEDRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC001594156983 998573167 /nfs/dbraw/zinc/57/31/67/998573167.db2.gz PCKVMAFKPRHRJA-HNAYVOBHSA-N -1 0 348.402 3.413 20 30 EGEDRM C[C@H]1C[C@H](CCNC(=O)N2CCC(C#N)(C(=O)[O-])CC2)CC(C)(C)C1 ZINC001594231196 998878506 /nfs/dbraw/zinc/87/85/06/998878506.db2.gz BHNWEWOSISPBPU-GJZGRUSLSA-N -1 0 349.475 3.239 20 30 EGEDRM COC(=O)c1coc(/C=C2\CC/C(=C/c3cc(C(=O)[O-])co3)C2=O)c1 ZINC001599013950 998922608 /nfs/dbraw/zinc/92/26/08/998922608.db2.gz HKYWNNHHZXVAIQ-WIZYTBDYSA-N -1 0 342.303 3.187 20 30 EGEDRM C[C@@H]1CC[C@](NC(=O)CC#Cc2ccccc2)(C(=O)[O-])c2ccccc21 ZINC001594313854 999208433 /nfs/dbraw/zinc/20/84/33/999208433.db2.gz NEGDBWDWBIWZIF-OPAMFIHVSA-N -1 0 347.414 3.422 20 30 EGEDRM C[C@H]1CC[C@@](NC(=O)c2cc(C#N)cs2)(C(=O)[O-])c2ccccc21 ZINC001594315141 999219961 /nfs/dbraw/zinc/21/99/61/999219961.db2.gz UEXGWGPNWIGOCV-VOJFVSQTSA-N -1 0 340.404 3.227 20 30 EGEDRM O=C([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1ccoc1 ZINC000071883913 215919996 /nfs/dbraw/zinc/91/99/96/215919996.db2.gz GIMIFBKYQUXQJS-UHFFFAOYSA-N -1 0 337.250 3.131 20 30 EGEDRM C=CCOc1ccc(C(=O)N[C@]2(C)CCCC[C@H]2C(=O)[O-])cc1OC ZINC000262706398 245132732 /nfs/dbraw/zinc/13/27/32/245132732.db2.gz AQAOYBWDOJELJG-IFXJQAMLSA-N -1 0 347.411 3.023 20 30 EGEDRM C=CCOc1ccc(C(=O)N[C@@]2(C)CCCC[C@H]2C(=O)[O-])cc1OC ZINC000262706403 245133505 /nfs/dbraw/zinc/13/35/05/245133505.db2.gz AQAOYBWDOJELJG-LIRRHRJNSA-N -1 0 347.411 3.023 20 30 EGEDRM C=CCOc1ccc(C(=O)N[C@@]2(C)CCCC[C@@H]2C(=O)[O-])cc1OC ZINC000262706400 245133691 /nfs/dbraw/zinc/13/36/91/245133691.db2.gz AQAOYBWDOJELJG-KUHUBIRLSA-N -1 0 347.411 3.023 20 30 EGEDRM C=CCCC(=O)N(CCC(=O)[O-])Cc1cccc(Br)c1 ZINC000263118695 245335244 /nfs/dbraw/zinc/33/52/44/245335244.db2.gz GOZAIGWCEVMKPG-UHFFFAOYSA-N -1 0 340.217 3.219 20 30 EGEDRM Cc1c(NCC(C)(C)C)cccc1C(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC000153247533 224079308 /nfs/dbraw/zinc/07/93/08/224079308.db2.gz DONQAKUHDYUJFP-UHFFFAOYSA-N -1 0 336.399 3.172 20 30 EGEDRM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000187030605 144150748 /nfs/dbraw/zinc/15/07/48/144150748.db2.gz OXVQHYDZRUIMJE-UHFFFAOYSA-N -1 0 331.784 3.193 20 30 EGEDRM CSc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)nc1 ZINC000116603550 152068102 /nfs/dbraw/zinc/06/81/02/152068102.db2.gz XADCWORXPBFVPK-UHFFFAOYSA-N -1 0 339.829 3.129 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1Br ZINC000302649891 154026947 /nfs/dbraw/zinc/02/69/47/154026947.db2.gz HJBVOQLDYZLFOP-UHFFFAOYSA-N -1 0 343.227 3.183 20 30 EGEDRM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000336864380 154220594 /nfs/dbraw/zinc/22/05/94/154220594.db2.gz RLMNNCRJNYTGQX-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2c(C#N)cnn2C2CCCC2)cc1F ZINC000337762760 154530101 /nfs/dbraw/zinc/53/01/01/154530101.db2.gz LCAHKVHNLSRPRW-UHFFFAOYSA-N -1 0 348.403 3.118 20 30 EGEDRM C/C=C\c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)cc1 ZINC000341036859 155127467 /nfs/dbraw/zinc/12/74/67/155127467.db2.gz GCMHWDYQUBROAD-RQOWECAXSA-N -1 0 343.364 3.300 20 30 EGEDRM N#Cc1cc(F)c(C(=O)[N-]c2nnc(CC(F)(F)F)s2)c(F)c1 ZINC000362191031 157066850 /nfs/dbraw/zinc/06/68/50/157066850.db2.gz SRDGFTXSXZEYKJ-UHFFFAOYSA-N -1 0 348.256 3.045 20 30 EGEDRM Cc1cccc([N-]S(=O)(=O)c2cnc3ccsc3c2)c1C#N ZINC000343844949 164049099 /nfs/dbraw/zinc/04/90/99/164049099.db2.gz UHHQKQVBIIAJBY-UHFFFAOYSA-N -1 0 329.406 3.277 20 30 EGEDRM Cc1ccc(-c2[n-][nH]c(=NC(=O)c3cc(C#N)ccc3Cl)c2C)o1 ZINC000355019045 166086913 /nfs/dbraw/zinc/08/69/13/166086913.db2.gz KSJNEMPJATYRCJ-UHFFFAOYSA-N -1 0 340.770 3.486 20 30 EGEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000355646049 166270318 /nfs/dbraw/zinc/27/03/18/166270318.db2.gz ASILYOMFUKQICY-UHFFFAOYSA-N -1 0 341.323 3.212 20 30 EGEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]Cc2ccc(Cl)s2)c(F)c1 ZINC000177123232 265233524 /nfs/dbraw/zinc/23/35/24/265233524.db2.gz FNSSDGFKIKPGDB-UHFFFAOYSA-N -1 0 348.783 3.030 20 30 EGEDRM Cc1cccc(S(=O)(=O)[N-]c2cccc(-c3cc[nH]n3)c2)c1C#N ZINC000178597462 265327510 /nfs/dbraw/zinc/32/75/10/265327510.db2.gz SHMIOXADEWTCHH-UHFFFAOYSA-N -1 0 338.392 3.058 20 30 EGEDRM CCCCCc1n[n-]c(=NC(=O)NCc2ccc(C#N)c(F)c2)s1 ZINC000454231110 267004177 /nfs/dbraw/zinc/00/41/77/267004177.db2.gz JYWVAOZROYTLLN-UHFFFAOYSA-N -1 0 347.419 3.025 20 30 EGEDRM CCCOc1ccccc1[N-]S(=O)(=O)c1cccc(C)c1C#N ZINC000440807119 267028752 /nfs/dbraw/zinc/02/87/52/267028752.db2.gz NFQGLPGZPQCAIR-UHFFFAOYSA-N -1 0 330.409 3.456 20 30 EGEDRM Cc1cc(NC(=O)c2ccc(C#N)c([O-])c2)nn1-c1cccc(F)c1 ZINC000189152904 267345115 /nfs/dbraw/zinc/34/51/15/267345115.db2.gz MKVRKMOSUHKZMF-UHFFFAOYSA-N -1 0 336.326 3.149 20 30 EGEDRM Cc1cccc(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2O)c1C#N ZINC000471967270 268056825 /nfs/dbraw/zinc/05/68/25/268056825.db2.gz KXQQPVXPNQUROC-UHFFFAOYSA-N -1 0 340.763 3.166 20 30 EGEDRM Cc1ccccc1-c1cc([N-]S(=O)(=O)c2ccc(C#N)s2)n[nH]1 ZINC000435496592 268061290 /nfs/dbraw/zinc/06/12/90/268061290.db2.gz STIARHAZSZMJNL-UHFFFAOYSA-N -1 0 344.421 3.119 20 30 EGEDRM N#Cc1cccc(C=CC(=O)N=c2nc(-c3ccsc3)[n-]s2)c1 ZINC000491575553 268268418 /nfs/dbraw/zinc/26/84/18/268268418.db2.gz JBTWVUMACFKMQF-PLNGDYQASA-N -1 0 338.417 3.212 20 30 EGEDRM Cc1cc([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)ccc1F ZINC000129907774 307621392 /nfs/dbraw/zinc/62/13/92/307621392.db2.gz PXJAAWVNDLDYCM-UHFFFAOYSA-N -1 0 326.299 3.085 20 30 EGEDRM COC(=O)c1ccc(C)c(NC(=O)c2ccc(Cl)c(C#N)c2)c1O ZINC000548887814 315059496 /nfs/dbraw/zinc/05/94/96/315059496.db2.gz SYYIOKDKTWTLEK-UHFFFAOYSA-N -1 0 344.754 3.265 20 30 EGEDRM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cccc(C)c1C#N ZINC000573650368 317512390 /nfs/dbraw/zinc/51/23/90/317512390.db2.gz DGUWEMPECPKGTN-UHFFFAOYSA-N -1 0 345.380 3.138 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ncco3)cc2)c(F)c1 ZINC000157739939 455226694 /nfs/dbraw/zinc/22/66/94/455226694.db2.gz YLEKRKNQWYVLMS-UHFFFAOYSA-N -1 0 343.339 3.153 20 30 EGEDRM Cc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1C#N ZINC000181145674 455294454 /nfs/dbraw/zinc/29/44/54/455294454.db2.gz WECJYMCQLFJXMO-UHFFFAOYSA-N -1 0 331.784 3.193 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(F)ccc2C)n1 ZINC000067894415 453978147 /nfs/dbraw/zinc/97/81/47/453978147.db2.gz FRGOKZYRZQUIBW-LBPRGKRZSA-N -1 0 332.356 3.257 20 30 EGEDRM C[C@@H](C#N)CN(C)C(=O)c1cc(Cl)cc(Br)c1[O-] ZINC000084385071 453987447 /nfs/dbraw/zinc/98/74/47/453987447.db2.gz ZOJWHHRTWJPHQH-ZETCQYMHSA-N -1 0 331.597 3.040 20 30 EGEDRM CC(=O)Nc1ccc(C=CC(=O)[N-]S(=O)(=O)c2ccccc2)cc1 ZINC000042232537 454002587 /nfs/dbraw/zinc/00/25/87/454002587.db2.gz ODTYAJCFEBYLBW-FMIVXFBMSA-N -1 0 344.392 3.004 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2ncccc2OCCCC#N)c(F)c1 ZINC000069677622 454132256 /nfs/dbraw/zinc/13/22/56/454132256.db2.gz ZUONZTDJEQBWBG-UHFFFAOYSA-N -1 0 349.387 3.013 20 30 EGEDRM N#CCC[C@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccccc1 ZINC000119326879 454186810 /nfs/dbraw/zinc/18/68/10/454186810.db2.gz IFSJUVYZWFLLAR-AWEZNQCLSA-N -1 0 325.324 3.075 20 30 EGEDRM COc1cccc(S(=O)(=O)[N-]C(=O)c2sccc2C2CC2)c1 ZINC000071859303 454234585 /nfs/dbraw/zinc/23/45/85/454234585.db2.gz MKSYJZRSZUMUIV-UHFFFAOYSA-N -1 0 337.422 3.328 20 30 EGEDRM CN(C)c1ccccc1[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000073314201 454420064 /nfs/dbraw/zinc/42/00/64/454420064.db2.gz RDBSAKRIZWETBC-UHFFFAOYSA-N -1 0 335.816 3.078 20 30 EGEDRM O=C(C=Cc1c(F)cccc1F)[N-]S(=O)(=O)c1cccs1 ZINC000048448554 454490620 /nfs/dbraw/zinc/49/06/20/454490620.db2.gz KRSJNVOKXVFJKY-SREVYHEPSA-N -1 0 329.349 3.385 20 30 EGEDRM N#Cc1cc(F)ccc1CN1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC000103139571 454539542 /nfs/dbraw/zinc/53/95/42/454539542.db2.gz ZNNBMRSXMNTTDM-UHFFFAOYSA-N -1 0 338.382 3.498 20 30 EGEDRM C#CCN(Cc1nc(=O)c2sccc2[n-]1)[C@@H]1CCc2ccccc21 ZINC000103467249 454558155 /nfs/dbraw/zinc/55/81/55/454558155.db2.gz MYCIIHPKVWUBLR-MRXNPFEDSA-N -1 0 335.432 3.107 20 30 EGEDRM N#CCc1ccc(NC(=O)c2nn(-c3ccccc3F)cc2[O-])cc1 ZINC000104141054 454576785 /nfs/dbraw/zinc/57/67/85/454576785.db2.gz RANINWHDHNXSFN-UHFFFAOYSA-N -1 0 336.326 3.035 20 30 EGEDRM CC(C)c1csc(C(C#N)=C([O-])c2cn(-c3ccccc3)nn2)n1 ZINC000080451578 454583941 /nfs/dbraw/zinc/58/39/41/454583941.db2.gz GMKDATGUCZMPAF-ZDUSSCGKSA-N -1 0 337.408 3.337 20 30 EGEDRM Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ncccc1[O-] ZINC000122968560 454588133 /nfs/dbraw/zinc/58/81/33/454588133.db2.gz BLSRFVHLOVVBRJ-UHFFFAOYSA-N -1 0 346.346 3.407 20 30 EGEDRM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cc(C)nn2CCC#N)cc1 ZINC000066247962 454671281 /nfs/dbraw/zinc/67/12/81/454671281.db2.gz KZJMVYVCPLMAJP-ZDUSSCGKSA-N -1 0 346.456 3.420 20 30 EGEDRM COC(=O)c1ccc(C(=O)Nc2ccccc2SCCC#N)o1 ZINC000124713165 454763533 /nfs/dbraw/zinc/76/35/33/454763533.db2.gz CYCBMKSTOFRAKY-UHFFFAOYSA-N -1 0 330.365 3.324 20 30 EGEDRM COCc1ccccc1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000177996304 454925617 /nfs/dbraw/zinc/92/56/17/454925617.db2.gz VDCKLJQARQQMQH-UHFFFAOYSA-N -1 0 336.800 3.159 20 30 EGEDRM Cc1nc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)sc1C ZINC000168605367 454926729 /nfs/dbraw/zinc/92/67/29/454926729.db2.gz NSVCUWCCYSZXCY-UHFFFAOYSA-N -1 0 327.818 3.086 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2)c(Cl)c1 ZINC000169253061 454929476 /nfs/dbraw/zinc/92/94/76/454929476.db2.gz ZFBDKCJCFDKZOL-UHFFFAOYSA-N -1 0 328.727 3.291 20 30 EGEDRM C=C[C@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000155808331 455048145 /nfs/dbraw/zinc/04/81/45/455048145.db2.gz CBFYTKFVEGTWSM-AWEZNQCLSA-N -1 0 344.436 3.100 20 30 EGEDRM CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)on1 ZINC000172834068 455194910 /nfs/dbraw/zinc/19/49/10/455194910.db2.gz RWNJZAVNNCBVSL-UHFFFAOYSA-N -1 0 339.804 3.298 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)c2nc3ccccc3o2)ccc1-n1cncn1 ZINC000174014652 455351016 /nfs/dbraw/zinc/35/10/16/455351016.db2.gz FOKSMPVIKWFOHE-AWEZNQCLSA-N -1 0 343.346 3.207 20 30 EGEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1nccc2sccc21 ZINC000182021760 455418552 /nfs/dbraw/zinc/41/85/52/455418552.db2.gz YIOJQGXGJVBHES-UHFFFAOYSA-N -1 0 329.406 3.277 20 30 EGEDRM CC(C)(C)[C@](C)(C#N)[N-]S(=O)(=O)c1c(F)c(F)ccc1Cl ZINC000295370189 455847310 /nfs/dbraw/zinc/84/73/10/455847310.db2.gz SGDIRDRAVMTBOZ-ZDUSSCGKSA-N -1 0 336.791 3.225 20 30 EGEDRM N#CCCCCS(=O)(=O)[N-][C@@H](CCc1ccccc1)C(F)(F)F ZINC000272187979 455871145 /nfs/dbraw/zinc/87/11/45/455871145.db2.gz UVGRCHYUDKVZPB-AWEZNQCLSA-N -1 0 348.390 3.163 20 30 EGEDRM N#Cc1cc(F)ccc1[N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC000194672785 455871912 /nfs/dbraw/zinc/87/19/12/455871912.db2.gz VWCPBYGSSWTYFE-UHFFFAOYSA-N -1 0 342.754 3.432 20 30 EGEDRM Cc1nccc(-c2cccc(NC(=O)c3ccc(C#N)c([O-])c3)c2)n1 ZINC000188286577 456035857 /nfs/dbraw/zinc/03/58/57/456035857.db2.gz CWAJTBNUQQTDBP-UHFFFAOYSA-N -1 0 330.347 3.282 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2cccc(OCc3cccnc3)c2)cc1[O-] ZINC000188328227 456043983 /nfs/dbraw/zinc/04/39/83/456043983.db2.gz LKGWWEWJBVTGTJ-UHFFFAOYSA-N -1 0 345.358 3.490 20 30 EGEDRM C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000262750660 456056707 /nfs/dbraw/zinc/05/67/07/456056707.db2.gz YAILSJYEBFHPHD-SHTZXODSSA-N -1 0 346.383 3.000 20 30 EGEDRM CC(C)(C)n1cc(C#N)cc1NC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000262985351 456075108 /nfs/dbraw/zinc/07/51/08/456075108.db2.gz CQJLWNWCWBEFLF-UHFFFAOYSA-N -1 0 340.383 3.135 20 30 EGEDRM C[C@H]1C[C@H](C(=O)[O-])CN(c2c(C#N)cnc3ccc(Cl)cc32)C1 ZINC000263172976 456103783 /nfs/dbraw/zinc/10/37/83/456103783.db2.gz JMVCZIBGHVCHEL-QWRGUYRKSA-N -1 0 329.787 3.307 20 30 EGEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000263471497 456153659 /nfs/dbraw/zinc/15/36/59/456153659.db2.gz HYTDFYNPMGLLRQ-NWDGAFQWSA-N -1 0 335.429 3.265 20 30 EGEDRM CC(C)(C)[C@@](C)(C#N)NS(=O)(=O)C1=Cc2ccccc2OCC1 ZINC000274720533 456264979 /nfs/dbraw/zinc/26/49/79/456264979.db2.gz FBLBNQAWCXEERW-QGZVFWFLSA-N -1 0 334.441 3.058 20 30 EGEDRM N#C[C@H]1CCC[C@H]1NC(=O)c1cc(Cl)cc(Br)c1[O-] ZINC000334091106 456299903 /nfs/dbraw/zinc/29/99/03/456299903.db2.gz YSTXMPGMOCSCQO-RDDDGLTNSA-N -1 0 343.608 3.230 20 30 EGEDRM C=CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc1OC ZINC000340547463 456524166 /nfs/dbraw/zinc/52/41/66/456524166.db2.gz SSSCSUJDSASNCA-UHFFFAOYSA-N -1 0 344.323 3.126 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2c(C#N)cnn2C2CCCC2)s1 ZINC000337755712 456526091 /nfs/dbraw/zinc/52/60/91/456526091.db2.gz HRZGVJAXJQCJRT-UHFFFAOYSA-N -1 0 336.442 3.041 20 30 EGEDRM N#Cc1cc(F)ccc1[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000340633049 456586384 /nfs/dbraw/zinc/58/63/84/456586384.db2.gz GEYAYTIDEWIEDL-UHFFFAOYSA-N -1 0 328.727 3.291 20 30 EGEDRM COc1ccc(/C=C/c2nc(C(=O)[O-])ccc2C#N)c(Cl)c1OC ZINC000340854206 456721020 /nfs/dbraw/zinc/72/10/20/456721020.db2.gz VOKFZJUAEAZMQU-ZZXKWVIFSA-N -1 0 344.754 3.492 20 30 EGEDRM CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C#N)o2)c1 ZINC000340966929 456789225 /nfs/dbraw/zinc/78/92/25/456789225.db2.gz JGDFFRRMJWCRAT-UHFFFAOYSA-N -1 0 338.772 3.198 20 30 EGEDRM CC(C)(C#N)c1ccc(NC(=O)c2cccc([O-])c2[N+](=O)[O-])cc1 ZINC000341232050 456823878 /nfs/dbraw/zinc/82/38/78/456823878.db2.gz YWTMBDPXKOPEFF-UHFFFAOYSA-N -1 0 325.324 3.354 20 30 EGEDRM Cn1cnc2cc(C([O-])=C(C#N)c3nc4ccccc4s3)cnc21 ZINC000345625255 456986177 /nfs/dbraw/zinc/98/61/77/456986177.db2.gz HHUSZWHZGCBHLW-LLVKDONJSA-N -1 0 333.376 3.068 20 30 EGEDRM CC1(C)CC[C@H](CNC(=O)c2cccc([C@]3(C)NC(=O)NC3=O)c2)O1 ZINC000330252379 457012318 /nfs/dbraw/zinc/01/23/18/457012318.db2.gz OHPVUJCVFXXWJS-ACJLOTCBSA-N -1 0 345.399 3.048 20 30 EGEDRM C=CCOc1ccc(C(=O)Nc2ccccc2CC(=O)[O-])cc1OC ZINC000362699060 457050607 /nfs/dbraw/zinc/05/06/07/457050607.db2.gz SDLORONRHKMTFU-UHFFFAOYSA-N -1 0 341.363 3.139 20 30 EGEDRM CCn1nc(C)c(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)c1C ZINC000339355778 457065037 /nfs/dbraw/zinc/06/50/37/457065037.db2.gz NFCURKGFPWRPEA-LBPRGKRZSA-N -1 0 336.317 3.424 20 30 EGEDRM CCCCn1ncc(NC(=O)N=c2nc(C(C)(C)C)[n-]s2)c1C ZINC000331319869 457165437 /nfs/dbraw/zinc/16/54/37/457165437.db2.gz KVTPCYZYIQTCNU-UHFFFAOYSA-N -1 0 336.465 3.220 20 30 EGEDRM C=CCC[C@@H](NC(=O)N=c1nc([C@H](C)OC)[n-]s1)c1ccccc1 ZINC000350635968 457195063 /nfs/dbraw/zinc/19/50/63/457195063.db2.gz FQNDIWKEGFKSOA-GXTWGEPZSA-N -1 0 346.456 3.496 20 30 EGEDRM CCc1noc2ncc(C([O-])=C(C#N)c3nc4ccccc4[nH]3)cc12 ZINC000342274204 457204165 /nfs/dbraw/zinc/20/41/65/457204165.db2.gz WCMSVIBPPMRQIS-LBPRGKRZSA-N -1 0 331.335 3.152 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)c2ccncn2)nn1-c1cccc(Cl)c1 ZINC000354459231 457236501 /nfs/dbraw/zinc/23/65/01/457236501.db2.gz DOFJBMMWWPBGSM-CQSZACIVSA-N -1 0 337.770 3.114 20 30 EGEDRM Cc1cc(C)cc(-c2n[n-]c(=NC(=O)N[C@@H]3CCC[C@@H]3C#N)s2)c1 ZINC000331726342 457239463 /nfs/dbraw/zinc/23/94/63/457239463.db2.gz MPLNRDWLOCRXTB-TZMCWYRMSA-N -1 0 341.440 3.058 20 30 EGEDRM CC(C)CC(=O)Nc1ccc(C([O-])=C(C#N)c2ccncn2)cc1F ZINC000354469159 457243164 /nfs/dbraw/zinc/24/31/64/457243164.db2.gz MSMDHICZBIAMAV-CYBMUJFWSA-N -1 0 340.358 3.090 20 30 EGEDRM N#CC(=C([O-])c1ncccc1OCC(F)F)c1nc2ccccc2o1 ZINC000354944403 457331133 /nfs/dbraw/zinc/33/11/33/457331133.db2.gz WUQIAEWBLJEGQG-JTQLQIEISA-N -1 0 343.289 3.357 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ncc(-c3ccc(F)cc3)s2)o1 ZINC000342573761 457372359 /nfs/dbraw/zinc/37/23/59/457372359.db2.gz RZAOQCMUDQBLOE-UHFFFAOYSA-N -1 0 349.368 3.215 20 30 EGEDRM Cc1cccc2[nH]c([C@H](C#N)C(=O)c3n[nH]c4c3CCCCC4)nc21 ZINC000355547060 457386074 /nfs/dbraw/zinc/38/60/74/457386074.db2.gz LNIARSNFLDDYNX-CYBMUJFWSA-N -1 0 333.395 3.353 20 30 EGEDRM N#Cc1cc(C(=O)Nc2cc(Br)cc(Cl)c2[O-])c[nH]1 ZINC000352544628 457454699 /nfs/dbraw/zinc/45/46/99/457454699.db2.gz BPGROFZMGZQNCY-UHFFFAOYSA-N -1 0 340.564 3.260 20 30 EGEDRM C=CC[C@H](CC)NS(=O)(=O)c1ccc(Br)cc1F ZINC000393781677 457467451 /nfs/dbraw/zinc/46/74/51/457467451.db2.gz BCTHAFAJRIEGTC-JTQLQIEISA-N -1 0 336.226 3.221 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2cc(C)n(-c3cccc(C#N)c3)n2)n1 ZINC000356168426 457501858 /nfs/dbraw/zinc/50/18/58/457501858.db2.gz PMMSCLKJYMBUSB-HNNXBMFYSA-N -1 0 347.403 3.307 20 30 EGEDRM C[C@@H](c1cccc(C#N)c1)N(C)C(=O)N=c1[n-]nc(C(C)(C)C)s1 ZINC000425639752 457620324 /nfs/dbraw/zinc/62/03/24/457620324.db2.gz ZYEOOXYMRGPEKC-NSHDSACASA-N -1 0 343.456 3.354 20 30 EGEDRM C[C@H](c1cccc(C#N)c1)N(C)C(=O)N=c1ccc(C(F)(F)F)n[n-]1 ZINC000425670229 457627290 /nfs/dbraw/zinc/62/72/90/457627290.db2.gz QZCDLDCXRXXGQE-SNVBAGLBSA-N -1 0 349.316 3.014 20 30 EGEDRM CCc1nc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)co1 ZINC000357994335 457735423 /nfs/dbraw/zinc/73/54/23/457735423.db2.gz KQPHAVBNVXQPSZ-VIFPVBQESA-N -1 0 330.294 3.472 20 30 EGEDRM C=CCc1cc(CN[C@H](C(=O)[O-])c2cccs2)cc(OC)c1O ZINC000426787261 457903421 /nfs/dbraw/zinc/90/34/21/457903421.db2.gz CNCQQORAKPACRJ-HNNXBMFYSA-N -1 0 333.409 3.106 20 30 EGEDRM Cc1cccc2[nH]c([C@@H](C#N)C(=O)c3ccc(OC(F)F)cn3)nc21 ZINC000358374481 457963155 /nfs/dbraw/zinc/96/31/55/457963155.db2.gz WBMASAFTMCEIDR-NSHDSACASA-N -1 0 342.305 3.358 20 30 EGEDRM C=C(C)C[C@@H](C)C(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000375600661 457985809 /nfs/dbraw/zinc/98/58/09/457985809.db2.gz ZDJRLUMBEYJOIY-GFCCVEGCSA-N -1 0 326.396 3.353 20 30 EGEDRM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(C#N)s2)cc1C#N ZINC000435486555 458153389 /nfs/dbraw/zinc/15/33/89/458153389.db2.gz IMNWNYTUPDQBDA-UHFFFAOYSA-N -1 0 347.421 3.079 20 30 EGEDRM Cc1cc2cc[nH]c2cc1[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000436169191 458263769 /nfs/dbraw/zinc/26/37/69/458263769.db2.gz GPOFXDZSPSDLED-UHFFFAOYSA-N -1 0 347.346 3.427 20 30 EGEDRM CCCc1c(C([O-])=C(C#N)c2ccncn2)cnn1-c1ccccc1C ZINC000429279290 458304989 /nfs/dbraw/zinc/30/49/89/458304989.db2.gz KYRFYYAGQPPMES-OAHLLOKOSA-N -1 0 345.406 3.413 20 30 EGEDRM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc4ccccc4n3)nc1-2 ZINC000429572828 458348051 /nfs/dbraw/zinc/34/80/51/458348051.db2.gz WHECZDHCKJVRFF-ZDUSSCGKSA-N -1 0 327.347 3.305 20 30 EGEDRM C=C(C)[C@H]1OCC[C@H]1CN=c1[n-]nc(-c2ccc(OC)cc2)s1 ZINC000420623709 458399232 /nfs/dbraw/zinc/39/92/32/458399232.db2.gz JPRPIGARVGWWHA-DZGCQCFKSA-N -1 0 331.441 3.029 20 30 EGEDRM Cc1ccsc1S(=O)(=O)[N-]c1nc(C)c(SCC#N)s1 ZINC000437307281 458442459 /nfs/dbraw/zinc/44/24/59/458442459.db2.gz NMQXIFNCQVRBGZ-UHFFFAOYSA-N -1 0 345.496 3.238 20 30 EGEDRM CNC(=O)c1cccc(C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)c1 ZINC000430583469 458466604 /nfs/dbraw/zinc/46/66/04/458466604.db2.gz MKALCRQMOGUDGX-CYBMUJFWSA-N -1 0 341.436 3.290 20 30 EGEDRM C=C(C)CC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000451800672 458487002 /nfs/dbraw/zinc/48/70/02/458487002.db2.gz DYMOHDFLPYTTOJ-UHFFFAOYSA-N -1 0 339.200 3.146 20 30 EGEDRM C=CCNC(=O)c1nn(-c2ccc(Cl)cc2C(F)(F)F)cc1[O-] ZINC000438907369 458628302 /nfs/dbraw/zinc/62/83/02/458628302.db2.gz NIKWKTCXHXBWFS-UHFFFAOYSA-N -1 0 345.708 3.166 20 30 EGEDRM C=C(C)Cn1c(-c2ccccc2C)n[n-]c1=Nc1c(C)nn(C)c1C ZINC000555191245 458903390 /nfs/dbraw/zinc/90/33/90/458903390.db2.gz HZDVMURKFLEIEM-UHFFFAOYSA-N -1 0 336.443 3.345 20 30 EGEDRM CC(=O)Nc1cc(NC(=O)c2ccc(C#N)c([O-])c2)ccc1Cl ZINC000442626098 459018268 /nfs/dbraw/zinc/01/82/68/459018268.db2.gz HDOBLYIFWOJPBL-UHFFFAOYSA-N -1 0 329.743 3.128 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2cc(CC#N)ccn2)ccc1OC(C)C ZINC000532162710 459039526 /nfs/dbraw/zinc/03/95/26/459039526.db2.gz KYOHVKRYGGUTOS-UHFFFAOYSA-N -1 0 345.424 3.044 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(C)cc(F)c2)n1 ZINC000442818335 459042080 /nfs/dbraw/zinc/04/20/80/459042080.db2.gz NQALTWMSEYVPQL-GFCCVEGCSA-N -1 0 332.356 3.257 20 30 EGEDRM CCOC(=O)c1ccc(C([O-])=C(C#N)c2ccc3ccccc3n2)nc1 ZINC000590320175 459113081 /nfs/dbraw/zinc/11/30/81/459113081.db2.gz QMFOMOVSRAGTOO-HNNXBMFYSA-N -1 0 345.358 3.297 20 30 EGEDRM C=CCC[C@@H](NC(=O)N[C@@H](C)c1ccc(OC(F)F)cc1)C(=O)[O-] ZINC000578116980 459148446 /nfs/dbraw/zinc/14/84/46/459148446.db2.gz DRZMJQIMBFQNBY-GXFFZTMASA-N -1 0 342.342 3.068 20 30 EGEDRM COC(=O)Nc1cccc(CN=Cc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000496532433 459230275 /nfs/dbraw/zinc/23/02/75/459230275.db2.gz ZZZZIQBLRFXBCE-LICLKQGHSA-N -1 0 329.312 3.098 20 30 EGEDRM CC(C)(C)OC(=O)NC1CCC(N=Nc2ccc(C(=O)[O-])nc2)CC1 ZINC000496621062 459262043 /nfs/dbraw/zinc/26/20/43/459262043.db2.gz FMXKZMCSJIPLHE-UHFFFAOYSA-N -1 0 348.403 3.015 20 30 EGEDRM CC(C)(CCC#N)CNC(=O)c1cccc(Br)c1[O-] ZINC000582321372 459345264 /nfs/dbraw/zinc/34/52/64/459345264.db2.gz OXZGDOQTLGTINY-UHFFFAOYSA-N -1 0 325.206 3.214 20 30 EGEDRM C=CCN(C(=O)Nc1cccc(C)n1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000568955770 459370818 /nfs/dbraw/zinc/37/08/18/459370818.db2.gz DYEGCAJXQWFPBZ-INIZCTEOSA-N -1 0 339.395 3.106 20 30 EGEDRM C=CCN=c1[n-]nc(Sc2ncncc2-c2ccccc2)s1 ZINC000539250775 459374915 /nfs/dbraw/zinc/37/49/15/459374915.db2.gz KNDKETWXRFDJKY-UHFFFAOYSA-N -1 0 327.438 3.166 20 30 EGEDRM CCSc1cc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)ccn1 ZINC000541704814 459480936 /nfs/dbraw/zinc/48/09/36/459480936.db2.gz LJWNVJLYCWIIBZ-GFCCVEGCSA-N -1 0 337.408 3.263 20 30 EGEDRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N(C)CC(C)(C)C#N)n2)c1 ZINC000497338869 459528035 /nfs/dbraw/zinc/52/80/35/459528035.db2.gz VBXWCJDUXJZMCN-UHFFFAOYSA-N -1 0 340.427 3.323 20 30 EGEDRM C=C[C@H]1CCCCN1C(=O)N=c1[n-]nc(Cc2cccc(F)c2)s1 ZINC000488293570 459541996 /nfs/dbraw/zinc/54/19/96/459541996.db2.gz JMYZPTPZCNVOIP-AWEZNQCLSA-N -1 0 346.431 3.262 20 30 EGEDRM C=CCCOCCCCC(=O)Nc1cc(-c2n[nH]c(=O)[n-]2)ccc1C ZINC000571699949 459571837 /nfs/dbraw/zinc/57/18/37/459571837.db2.gz CBALVUILPKQVAL-UHFFFAOYSA-N -1 0 344.415 3.187 20 30 EGEDRM C#C[C@@H](NC(=O)c1c(F)c(F)cc(F)c1F)c1ccc(F)cc1 ZINC000491241375 459607806 /nfs/dbraw/zinc/60/78/06/459607806.db2.gz IWBWDOWWJYVCLP-GFCCVEGCSA-N -1 0 325.236 3.486 20 30 EGEDRM Cc1ccc(C(=O)N=c2[n-]n(C(C)(C)C)cc2C#N)c(Cl)c1C ZINC000544010320 459719368 /nfs/dbraw/zinc/71/93/68/459719368.db2.gz JQTXVFLKVINBHO-UHFFFAOYSA-N -1 0 330.819 3.454 20 30 EGEDRM CCc1ncncc1C([O-])=C(C#N)c1nc2cc(F)ccc2s1 ZINC000592973619 459726153 /nfs/dbraw/zinc/72/61/53/459726153.db2.gz IIKGDWZGKBINLC-SNVBAGLBSA-N -1 0 326.356 3.278 20 30 EGEDRM CCc1c(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)cnn1C ZINC000592974735 459726626 /nfs/dbraw/zinc/72/66/26/459726626.db2.gz YJCXKKCURWHSRO-JTQLQIEISA-N -1 0 328.372 3.221 20 30 EGEDRM CC(=O)Nc1cc(C([O-])=C(C#N)c2nc(C(C)C)cs2)ccn1 ZINC000528966870 459819357 /nfs/dbraw/zinc/81/93/57/459819357.db2.gz NUWLRDSRRCREKS-LBPRGKRZSA-N -1 0 328.397 3.110 20 30 EGEDRM CCc1cc(C#N)c([N-]S(=O)(=O)c2cccc3c2OCCC3)s1 ZINC000593282274 459828703 /nfs/dbraw/zinc/82/87/03/459828703.db2.gz YTCIFQVCDVOWHA-UHFFFAOYSA-N -1 0 348.449 3.308 20 30 EGEDRM Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)[N-]c1ccc(C#N)cn1 ZINC000609495269 459971746 /nfs/dbraw/zinc/97/17/46/459971746.db2.gz HAYVXYOZYYBMEK-UHFFFAOYSA-N -1 0 343.452 3.090 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccc3oc4ccccc4c3c2)nc1 ZINC000610316231 460118905 /nfs/dbraw/zinc/11/89/05/460118905.db2.gz SBVAFAMGULIVGB-UHFFFAOYSA-N -1 0 349.371 3.075 20 30 EGEDRM Cc1cccc(-c2cccc(CNC(=O)N=c3[n-]n(C)cc3C#N)c2)c1 ZINC000610563564 460184673 /nfs/dbraw/zinc/18/46/73/460184673.db2.gz ATFYDJICDYPTFU-UHFFFAOYSA-N -1 0 345.406 3.011 20 30 EGEDRM N#Cc1ccc(CNC(=O)c2cc(F)c(F)c([O-])c2F)cc1Cl ZINC000619780593 460442563 /nfs/dbraw/zinc/44/25/63/460442563.db2.gz UONGTTNPTFAVDF-UHFFFAOYSA-N -1 0 340.688 3.265 20 30 EGEDRM O=C(N=c1ccc(C2CC2)n[n-]1)c1ccc(C#Cc2ccccc2)cc1 ZINC000604708748 460465439 /nfs/dbraw/zinc/46/54/39/460465439.db2.gz UBQSSKJHGIVKGT-UHFFFAOYSA-N -1 0 339.398 3.428 20 30 EGEDRM CC[C@](CC(=O)[O-])(C(=O)NCC(C)(C)CC#N)c1ccc(C)cc1 ZINC000602000300 460982034 /nfs/dbraw/zinc/98/20/34/460982034.db2.gz PDCNLZXPDRMPON-LJQANCHMSA-N -1 0 330.428 3.174 20 30 EGEDRM CC1(C)CCCN(C(=O)c2cccc(Br)c2[O-])[C@@H]1C#N ZINC000618037965 461069622 /nfs/dbraw/zinc/06/96/22/461069622.db2.gz PTPXOXMFJNQQHR-GFCCVEGCSA-N -1 0 337.217 3.309 20 30 EGEDRM C=C[C@H]1CCCCN1C(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC000630301791 461091162 /nfs/dbraw/zinc/09/11/62/461091162.db2.gz PAYANAIIEVSTIO-ZDUSSCGKSA-N -1 0 338.201 3.328 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)[C@H](C)Oc1cccc2ccccc21)C(=O)[O-] ZINC000630320189 461094859 /nfs/dbraw/zinc/09/48/59/461094859.db2.gz QJYMXGHHQJEIDK-XJKSGUPXSA-N -1 0 327.380 3.143 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)[C@H](C)Cc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000630327142 461096494 /nfs/dbraw/zinc/09/64/94/461096494.db2.gz XILRDLPDSZPYGG-BXUZGUMPSA-N -1 0 343.345 3.420 20 30 EGEDRM C=CCOc1ccc(CN[C@@H](C)c2nc(C(=O)[O-])cs2)cc1OC ZINC000630463316 461136964 /nfs/dbraw/zinc/13/69/64/461136964.db2.gz AUWMPHOARHFLCX-NSHDSACASA-N -1 0 348.424 3.266 20 30 EGEDRM C=C[C@@H](CC(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1)c1ccccc1 ZINC000659204372 461223123 /nfs/dbraw/zinc/22/31/23/461223123.db2.gz WKFMTTHWPHSANN-ZDUSSCGKSA-N -1 0 327.384 3.001 20 30 EGEDRM C=CCOc1c(Cl)cc(CN=c2[n-]nc([C@H]3C[C@@H]3C)o2)cc1OC ZINC000630960274 461440400 /nfs/dbraw/zinc/44/04/00/461440400.db2.gz IPOGZIIHIGYBIQ-JQWIXIFHSA-N -1 0 349.818 3.454 20 30 EGEDRM C=C(C)COc1cc(CN=c2[n-]nc([C@H]3C[C@H]3C)o2)ccc1OC ZINC000630962837 461444401 /nfs/dbraw/zinc/44/44/01/461444401.db2.gz SSGPQAZYODJIMR-OCCSQVGLSA-N -1 0 329.400 3.191 20 30 EGEDRM Cc1nn(C)c2ncc(C([O-])=C(C#N)c3nc(C4CC4)cs3)cc12 ZINC000647374516 461666409 /nfs/dbraw/zinc/66/64/09/461666409.db2.gz FLIFIXUPPXHKJY-ZDUSSCGKSA-N -1 0 337.408 3.101 20 30 EGEDRM C=C(C)[C@@H](NC(=O)NCCCCC(=O)[O-])c1ccc(F)c(F)c1 ZINC000666543029 461683788 /nfs/dbraw/zinc/68/37/88/461683788.db2.gz WCDDYGQXWYZDET-OAHLLOKOSA-N -1 0 326.343 3.136 20 30 EGEDRM C=CCC[C@@H](NC(=O)N[C@H](C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000654792080 462384046 /nfs/dbraw/zinc/38/40/46/462384046.db2.gz XEYIOUAYBJYWHP-ZWNOBZJWSA-N -1 0 344.333 3.485 20 30 EGEDRM C=CCC[C@@H](NC(=O)N[C@H]1CCSc2ccc(F)cc21)C(=O)[O-] ZINC000654793838 462385112 /nfs/dbraw/zinc/38/51/12/462385112.db2.gz MUMCZQROJXCLQC-QWHCGFSZSA-N -1 0 338.404 3.081 20 30 EGEDRM C=CCOc1ccccc1CNC(=O)N(C)C1(C(=O)[O-])CCCCC1 ZINC000684733289 550362477 /nfs/dbraw/zinc/36/24/77/550362477.db2.gz SVSMDPJBUYCXBO-UHFFFAOYSA-N -1 0 346.427 3.180 20 30 EGEDRM C[C@H]1c2c(c(O)ccc2F)C(=O)/C1=C/c1ccc(OCC(=O)[O-])cc1 ZINC000730590662 575004193 /nfs/dbraw/zinc/00/41/93/575004193.db2.gz QIFOVEQXMVRDCY-SEEODLKFSA-N -1 0 342.322 3.378 20 30 EGEDRM COc1ccc(OC(F)F)c(C=NNc2ccc(C(=O)[O-])cc2)c1 ZINC000732923940 575296523 /nfs/dbraw/zinc/29/65/23/575296523.db2.gz LXIRCQATKASUSN-UHFFFAOYSA-N -1 0 336.294 3.441 20 30 EGEDRM CCCCCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000735202917 575620761 /nfs/dbraw/zinc/62/07/61/575620761.db2.gz IYDLPVVQIAAQFI-HNNXBMFYSA-N -1 0 336.457 3.360 20 30 EGEDRM Cc1ccc2[nH]cc(C=Nn3c(=O)c4ccccc4[n-]c3=S)c2c1 ZINC000735611966 575689765 /nfs/dbraw/zinc/68/97/65/575689765.db2.gz BTSDATDUTKMFLB-UHFFFAOYSA-N -1 0 334.404 3.357 20 30 EGEDRM C#Cc1cccc(NC(=S)NCCc2ccc(NC(=O)[O-])cc2)c1 ZINC000736091302 575898391 /nfs/dbraw/zinc/89/83/91/575898391.db2.gz PBUYZZDOHBZBHM-UHFFFAOYSA-N -1 0 339.420 3.287 20 30 EGEDRM C[C@H](OC(=O)C=Cc1ccccc1C#N)c1cccc(-c2nn[nH]n2)c1 ZINC000736153713 575907716 /nfs/dbraw/zinc/90/77/16/575907716.db2.gz RZBXEACHMIBAAB-XPSMFNQNSA-N -1 0 345.362 3.056 20 30 EGEDRM C[C@@H](C#N)Oc1ccc(CNc2ccc(CNC(=O)[O-])cc2)cc1 ZINC000736202846 575914819 /nfs/dbraw/zinc/91/48/19/575914819.db2.gz QWHXGHXUERPCDS-ZDUSSCGKSA-N -1 0 325.368 3.357 20 30 EGEDRM CC(C)=C[C@@H]1[C@H](C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)C1(C)C ZINC000736343383 575940389 /nfs/dbraw/zinc/94/03/89/575940389.db2.gz BNZMTFSCWLVDAR-OAGGEKHMSA-N -1 0 327.380 3.466 20 30 EGEDRM C[C@H](CC(=O)[O-])SCC(=O)c1cn(CCC#N)c2ccccc12 ZINC000736551699 575983180 /nfs/dbraw/zinc/98/31/80/575983180.db2.gz FGIXHYSGMLHFPE-GFCCVEGCSA-N -1 0 330.409 3.334 20 30 EGEDRM C[C@@H](OC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)C(=O)[O-] ZINC000736686965 576005484 /nfs/dbraw/zinc/00/54/84/576005484.db2.gz BAQRPLWABOWBRR-GFCCVEGCSA-N -1 0 325.320 3.175 20 30 EGEDRM Cc1nc(C(C)C)sc1C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000738841972 576056852 /nfs/dbraw/zinc/05/68/52/576056852.db2.gz XHJBMSKSCAHTDL-CYBMUJFWSA-N -1 0 344.392 3.429 20 30 EGEDRM CC[C@H](Nc1ccccc1)C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736924688 576061623 /nfs/dbraw/zinc/06/16/23/576061623.db2.gz NZLLRPOHMIJBBB-IRXDYDNUSA-N -1 0 338.363 3.118 20 30 EGEDRM CCCc1nc(C)c(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)s1 ZINC000737050415 576090459 /nfs/dbraw/zinc/09/04/59/576090459.db2.gz KBOIKOXKLMAECS-CQSZACIVSA-N -1 0 344.392 3.258 20 30 EGEDRM CC1(C)Cc2cccc(C=Nn3c(=S)[n-]nc3C(F)(F)F)c2O1 ZINC000737420592 576225094 /nfs/dbraw/zinc/22/50/94/576225094.db2.gz LMHHGHLIBHUXJO-UHFFFAOYSA-N -1 0 342.346 3.181 20 30 EGEDRM COCc1ccc(/C=C\C(=O)c2cccc(OCC(=O)[O-])c2)cc1 ZINC000738071500 576284959 /nfs/dbraw/zinc/28/49/59/576284959.db2.gz IFSDTNBJDDMAOG-KTKRTIGZSA-N -1 0 326.348 3.193 20 30 EGEDRM Cc1cccc2[nH]cc(CC(=O)O[C@@H](C(=O)[O-])c3ccc(C#N)cc3)c21 ZINC000738747272 576358658 /nfs/dbraw/zinc/35/86/58/576358658.db2.gz RFRNNSFGLXSUSI-LJQANCHMSA-N -1 0 348.358 3.260 20 30 EGEDRM Cc1oc(C=NNCc2ccc(Br)cc2)cc1C(=O)[O-] ZINC000738968878 576371283 /nfs/dbraw/zinc/37/12/83/576371283.db2.gz FUJBTFRZCVRKLN-UHFFFAOYSA-N -1 0 337.173 3.172 20 30 EGEDRM Cn1cc(CCNc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)cn1 ZINC000739028767 576375054 /nfs/dbraw/zinc/37/50/54/576375054.db2.gz LFSXKLOQILWSDM-UHFFFAOYSA-N -1 0 345.402 3.173 20 30 EGEDRM N#CC(CCOC(=O)[C@H]1C[C@@H]1C(=O)[O-])(c1ccccc1)c1ccccc1 ZINC000739075329 576376881 /nfs/dbraw/zinc/37/68/81/576376881.db2.gz RFZYGIFGHSELQN-ROUUACIJSA-N -1 0 349.386 3.150 20 30 EGEDRM N#CC(C(=O)[C@@H]1C[C@H]1C(=O)[O-])c1nc(-c2ccc(Cl)cc2)cs1 ZINC000739076065 576377035 /nfs/dbraw/zinc/37/70/35/576377035.db2.gz YFJQTGSABMBKGN-IJLUTSLNSA-N -1 0 346.795 3.360 20 30 EGEDRM N#Cc1ccc([C@@H](OC(=O)c2cccc(OC(F)F)c2)C(=O)[O-])cc1 ZINC000739114852 576378744 /nfs/dbraw/zinc/37/87/44/576378744.db2.gz KXOOIAMVAILCNW-CQSZACIVSA-N -1 0 347.273 3.142 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)c2cccc(-n3cccc3)c2)C(=O)[O-])cc1 ZINC000739116038 576378784 /nfs/dbraw/zinc/37/87/84/576378784.db2.gz XWIDCIMXAHPTCN-SFHVURJKSA-N -1 0 346.342 3.332 20 30 EGEDRM N#Cc1ccc(CSCC(=O)Oc2cccc(CC(=O)[O-])c2)cc1 ZINC000739117364 576378978 /nfs/dbraw/zinc/37/89/78/576378978.db2.gz DMVQBUCRPNLHBO-UHFFFAOYSA-N -1 0 341.388 3.024 20 30 EGEDRM N#Cc1ccc(SCC(=O)O[C@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000739131598 576379341 /nfs/dbraw/zinc/37/93/41/576379341.db2.gz ALUYGKXOZXSTRP-INIZCTEOSA-N -1 0 345.351 3.159 20 30 EGEDRM N#Cc1ccccc1C=CC(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000739139377 576379529 /nfs/dbraw/zinc/37/95/29/576379529.db2.gz GCSVQMBQHQAIJM-JXMROGBWSA-N -1 0 335.363 3.020 20 30 EGEDRM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)C3=COCC3)c2)c1 ZINC000739480012 576416690 /nfs/dbraw/zinc/41/66/90/576416690.db2.gz NZJZRNPVZRUETA-UHFFFAOYSA-N -1 0 333.343 3.027 20 30 EGEDRM O=C([O-])CN1C/C(=C\c2ccsc2)C(=O)/C(=C\c2ccsc2)C1 ZINC000739799448 576506538 /nfs/dbraw/zinc/50/65/38/576506538.db2.gz KPELVQBXQNWZQG-YOENDLTHSA-N -1 0 345.445 3.246 20 30 EGEDRM O=C([O-])c1ccc(OCCN=Cc2cc3ccccc3[nH]c2=O)cc1 ZINC000740164874 576557602 /nfs/dbraw/zinc/55/76/02/576557602.db2.gz IBVWPZHYDPDQFD-UDWIEESQSA-N -1 0 336.347 3.137 20 30 EGEDRM O=C([O-])CCOc1ccc(/C=C2/CCc3c(O)cccc3C2=O)cc1 ZINC000742434894 576784093 /nfs/dbraw/zinc/78/40/93/576784093.db2.gz NIXPZQFUJAJXLE-OWBHPGMISA-N -1 0 338.359 3.458 20 30 EGEDRM COc1ccc(/C=C\C(=O)c2cccc(O[C@@H](C)C(=O)[O-])c2)cc1O ZINC000745020033 576838615 /nfs/dbraw/zinc/83/86/15/576838615.db2.gz ACAOUEFEGGGZDU-VFFGBVLKSA-N -1 0 342.347 3.149 20 30 EGEDRM N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@H](C(=O)[O-])C2)cc1 ZINC000819084358 596909406 /nfs/dbraw/zinc/90/94/06/596909406.db2.gz NKSSTYUMTHSINJ-FUHWJXTLSA-N -1 0 349.390 3.280 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000819821418 597631179 /nfs/dbraw/zinc/63/11/79/597631179.db2.gz GBRRGPGHSPTCJV-RXVVDRJESA-N -1 0 348.402 3.165 20 30 EGEDRM O=C([O-])c1cccc(C=CC(=O)c2ccc(C(F)(F)F)[nH]c2=O)c1 ZINC000606444245 598201628 /nfs/dbraw/zinc/20/16/28/598201628.db2.gz IGGUQTLSVKOCBU-XQRVVYSFSA-N -1 0 337.253 3.400 20 30 EGEDRM Cc1nc(NC(=O)[C@](C)(C#N)CC(=O)[O-])sc1-c1ccccc1 ZINC000821176398 598223990 /nfs/dbraw/zinc/22/39/90/598223990.db2.gz XFWOZRMLDJIZIG-INIZCTEOSA-N -1 0 329.381 3.062 20 30 EGEDRM Cc1ccc(Oc2ccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])cn2)cc1 ZINC000821098492 598224300 /nfs/dbraw/zinc/22/43/00/598224300.db2.gz JQWLHSNHZCEWMA-SFHVURJKSA-N -1 0 339.351 3.125 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NCC1(c2cccs2)CCCCC1 ZINC000819833744 598228399 /nfs/dbraw/zinc/22/83/99/598228399.db2.gz IZFKIXLNJYEKIU-INIZCTEOSA-N -1 0 334.441 3.071 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)[C@@H]2C[C@]23CCc2ccccc23)C(=O)[O-])cc1 ZINC000833071774 600738672 /nfs/dbraw/zinc/73/86/72/600738672.db2.gz IJMNTDJTAUWRTK-WFXMLNOXSA-N -1 0 347.370 3.131 20 30 EGEDRM C[C@@H](NC(=O)N(C)Cc1ccc(C(=O)[O-])cc1)c1cccc(C#N)c1 ZINC000827644681 600779469 /nfs/dbraw/zinc/77/94/69/600779469.db2.gz FGVBEQYASNCJCA-CYBMUJFWSA-N -1 0 337.379 3.159 20 30 EGEDRM Cc1ccc(OCc2nnc(-c3cccc(C#N)c3)o2)c(C(=O)[O-])c1 ZINC000832950875 600804340 /nfs/dbraw/zinc/80/43/40/600804340.db2.gz BUEPVRJBPRBFPJ-UHFFFAOYSA-N -1 0 335.319 3.194 20 30 EGEDRM CC(C)C[C@H](C/N=C\c1cc(Br)ccc1O)C(=O)[O-] ZINC000736403146 600815386 /nfs/dbraw/zinc/81/53/86/600815386.db2.gz BJRTXYZBVILBHP-CRZGJZTJSA-N -1 0 328.206 3.321 20 30 EGEDRM COCc1nc2cc(N[C@H](C(=O)[O-])c3ccc(C#N)cc3)ccc2o1 ZINC000831832171 601229351 /nfs/dbraw/zinc/22/93/51/601229351.db2.gz WKRWMFSOCZECNO-KRWDZBQOSA-N -1 0 337.335 3.084 20 30 EGEDRM C[C@@H]1CN([C@@H](C(=O)[O-])c2cccc(C#N)c2)C[C@H](c2ccccc2)O1 ZINC000828413659 601312393 /nfs/dbraw/zinc/31/23/93/601312393.db2.gz SXQPDEUYOIKAFD-NIKGAXFTSA-N -1 0 336.391 3.146 20 30 EGEDRM C[C@H](C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1cccc(F)c1 ZINC000826061328 601354421 /nfs/dbraw/zinc/35/44/21/601354421.db2.gz KVUPTBORBJKRIX-MEDUHNTESA-N -1 0 327.311 3.170 20 30 EGEDRM Cc1nc(CCCC(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cs1 ZINC000832999196 601355865 /nfs/dbraw/zinc/35/58/65/601355865.db2.gz VIUAULUXZMPJNQ-INIZCTEOSA-N -1 0 344.392 3.015 20 30 EGEDRM CCc1oc(C(=O)[O-])cc1Cn1c(C)nnc1-c1cccc(C#N)c1 ZINC000830398460 601389363 /nfs/dbraw/zinc/38/93/63/601389363.db2.gz NNXNCCOKKASNGZ-UHFFFAOYSA-N -1 0 336.351 3.027 20 30 EGEDRM C[C@H](OC(=O)c1ccc(Sc2ccccc2C#N)cc1)C(=O)[O-] ZINC000827860248 601430687 /nfs/dbraw/zinc/43/06/87/601430687.db2.gz CGCNYBQPPQTQDQ-NSHDSACASA-N -1 0 327.361 3.339 20 30 EGEDRM N#Cc1ccc([C@@H](OC(=O)C/C=C/c2ccc(F)cc2)C(=O)[O-])cc1 ZINC000833073113 601470877 /nfs/dbraw/zinc/47/08/77/601470877.db2.gz VTHQLBHDFREAKT-ZMXQLYDGSA-N -1 0 339.322 3.470 20 30 EGEDRM N#Cc1ccc([C@H](C(=O)[O-])N2CCc3c(F)ccc(F)c3C2)cc1 ZINC000833072776 601611862 /nfs/dbraw/zinc/61/18/62/601611862.db2.gz YZPPALVBGDXHJM-QGZVFWFLSA-N -1 0 328.318 3.020 20 30 EGEDRM O=C([O-])c1ccc(/C=C2\Oc3cc(Br)ccc3C2=O)[nH]1 ZINC000833312198 601613387 /nfs/dbraw/zinc/61/33/87/601613387.db2.gz LTDQEGCBAUZTPX-SDQBBNPISA-N -1 0 334.125 3.092 20 30 EGEDRM O=C([O-])c1cc(/C=C/C(=O)c2ccc(F)cc2OC(F)F)c[nH]1 ZINC000833297281 601794310 /nfs/dbraw/zinc/79/43/10/601794310.db2.gz FBJODYNDPDIOGA-DAFODLJHSA-N -1 0 325.242 3.350 20 30 EGEDRM C[C@@H](CC(=O)[O-])C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 ZINC000827317774 602097637 /nfs/dbraw/zinc/09/76/37/602097637.db2.gz OJNRJLKYMSDBCP-ZDUSSCGKSA-N -1 0 338.363 3.187 20 30 EGEDRM Cc1cc(O)cc2c1C(=O)/C(=C\c1ccc(O[C@@H](C)C(=O)[O-])cc1)O2 ZINC000832900006 602110215 /nfs/dbraw/zinc/11/02/15/602110215.db2.gz WYDCNCDFLGXTFY-AXLKIAQESA-N -1 0 340.331 3.169 20 30 EGEDRM C=C(Cl)CNC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000825647136 602225444 /nfs/dbraw/zinc/22/54/44/602225444.db2.gz FKDRLMNFNBOCME-UHFFFAOYSA-N -1 0 334.759 3.177 20 30 EGEDRM C[C@H](Oc1ccc(C=CC(=O)c2c[nH]c3ncccc23)cc1)C(=O)[O-] ZINC000794704151 602299698 /nfs/dbraw/zinc/29/96/98/602299698.db2.gz XMUDSUUTFVALGP-PWWFUAJNSA-N -1 0 336.347 3.311 20 30 EGEDRM CC(C)(C(=O)[O-])[C@@H](NC(=O)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000826089029 604374886 /nfs/dbraw/zinc/37/48/86/604374886.db2.gz GUXIHSRMCINGEF-SFHVURJKSA-N -1 0 336.391 3.069 20 30 EGEDRM C=CCNc1ncc(C(=O)O[C@@H](C)c2cc(C)c(C(=O)[O-])o2)s1 ZINC000825692176 604432739 /nfs/dbraw/zinc/43/27/39/604432739.db2.gz LRZWCZPQYOQIIJ-VIFPVBQESA-N -1 0 336.369 3.259 20 30 EGEDRM COc1cc(OC)c(NCc2cccc(C(=O)[O-])c2C#N)cc1F ZINC000833728307 604538982 /nfs/dbraw/zinc/53/89/82/604538982.db2.gz ASTLRHFJHPRWHF-UHFFFAOYSA-N -1 0 330.315 3.025 20 30 EGEDRM CC1=C(C(=O)[O-])[C@H](c2ccc(C#N)o2)NC(=O)N1CC1CCCCC1 ZINC000833575730 604542868 /nfs/dbraw/zinc/54/28/68/604542868.db2.gz BYOCAKRQZGNTKO-INIZCTEOSA-N -1 0 343.383 3.156 20 30 EGEDRM C=CCc1cc([N+](=O)[O-])ccc1OCc1cccc(C(=O)[O-])c1C#N ZINC000833379940 604550107 /nfs/dbraw/zinc/55/01/07/604550107.db2.gz QRVDZONLCUODSM-UHFFFAOYSA-N -1 0 338.319 3.472 20 30 EGEDRM C=C(C)[C@@H](CC(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1)OCC ZINC000833367849 604561625 /nfs/dbraw/zinc/56/16/25/604561625.db2.gz WUUMZUVYGGKNRG-HUUCEWRRSA-N -1 0 339.819 3.343 20 30 EGEDRM C[C@@H](C(=O)OCc1cccc(C(=O)[O-])c1C#N)c1ccccc1F ZINC000833410020 604582373 /nfs/dbraw/zinc/58/23/73/604582373.db2.gz UCTYJHMQTXIAQJ-LLVKDONJSA-N -1 0 327.311 3.242 20 30 EGEDRM C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H]1CC(=O)[O-] ZINC000825966482 604626995 /nfs/dbraw/zinc/62/69/95/604626995.db2.gz DYONBIXSYNANSU-OLZOCXBDSA-N -1 0 347.440 3.409 20 30 EGEDRM Cc1cc(/C=C\C(=O)c2ccc(C(=O)[O-])cc2)ccc1-n1cncn1 ZINC000832881060 604630067 /nfs/dbraw/zinc/63/00/67/604630067.db2.gz KMJOMYFBJLEOKM-OQFOIZHKSA-N -1 0 333.347 3.170 20 30 EGEDRM COc1cc(/C=C\C(=O)c2ccc(C(=O)[O-])cc2)cc2c1OCCO2 ZINC000831976334 604630086 /nfs/dbraw/zinc/63/00/86/604630086.db2.gz MUWMCOMBAJTBRH-UQCOIBPSSA-N -1 0 340.331 3.061 20 30 EGEDRM C#CC[C@H](NC(=O)Nc1cc(C(=O)[O-])ccc1F)c1ccccc1 ZINC000833360438 604656015 /nfs/dbraw/zinc/65/60/15/604656015.db2.gz IOXJPYGCAHLJLM-HNNXBMFYSA-N -1 0 326.327 3.410 20 30 EGEDRM C#CC[C@H](NC(=O)Nc1ccc(C(=O)[O-])c(F)c1)c1ccccc1 ZINC000833360912 604660026 /nfs/dbraw/zinc/66/00/26/604660026.db2.gz RWHKZFSJCUSSKU-INIZCTEOSA-N -1 0 326.327 3.410 20 30 EGEDRM Cc1[nH]c(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)c(C)c1C(=O)[O-] ZINC000832846669 604665933 /nfs/dbraw/zinc/66/59/33/604665933.db2.gz ZDAZAODTLMIAHB-UHFFFAOYSA-N -1 0 341.367 3.241 20 30 EGEDRM C=CCn1c(SCc2ccc(C(=O)[O-])cc2F)nnc1C1CC1 ZINC000833380986 604670220 /nfs/dbraw/zinc/67/02/20/604670220.db2.gz WQZDAJNMOXYIJQ-UHFFFAOYSA-N -1 0 333.388 3.471 20 30 EGEDRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2ccccc2SCC#N)C1 ZINC000325335291 604883695 /nfs/dbraw/zinc/88/36/95/604883695.db2.gz HHKANHMLPVIVOL-CYBMUJFWSA-N -1 0 346.452 3.265 20 30 EGEDRM O=C([O-])c1ccccc1NN=Cc1c(C2CC2)nc2sccn12 ZINC000755601557 605097640 /nfs/dbraw/zinc/09/76/40/605097640.db2.gz PKVBWPGVODSPBO-UHFFFAOYSA-N -1 0 326.381 3.417 20 30 EGEDRM C[C@@H](Oc1ccc(/C=C\C(=O)c2ccc(C#N)c(F)c2)cc1)C(=O)[O-] ZINC000794715398 605200959 /nfs/dbraw/zinc/20/09/59/605200959.db2.gz XMMBRAZYNTZRGP-TWLAMCEISA-N -1 0 339.322 3.445 20 30 EGEDRM C[C@@H](OC(=O)c1ccc(C2(C#N)CC2)cc1)c1ccc(C(=O)[O-])o1 ZINC000833530771 605222892 /nfs/dbraw/zinc/22/28/92/605222892.db2.gz FFUSYEQAPAWULV-LLVKDONJSA-N -1 0 325.320 3.451 20 30 EGEDRM C=CCN(CCc1ccco1)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000833374576 605480054 /nfs/dbraw/zinc/48/00/54/605480054.db2.gz RGNNRSHLRZBRQH-UHFFFAOYSA-N -1 0 344.367 3.006 20 30 EGEDRM C=CCN(CCc1ccco1)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000819713532 605484088 /nfs/dbraw/zinc/48/40/88/605484088.db2.gz QDFAGSONJDBGHQ-UHFFFAOYSA-N -1 0 332.331 3.380 20 30 EGEDRM CCOc1ccc(O)c(/C=N/Cc2ccc(C(=O)[O-])c(C3CC3)n2)c1 ZINC000833662887 605574366 /nfs/dbraw/zinc/57/43/66/605574366.db2.gz LNOQOBJKUJKUCP-KEBDBYFISA-N -1 0 340.379 3.381 20 30 EGEDRM CC(=NNc1cccc(C(=O)[O-])c1)c1cc2c(s1)SCC(=O)N2 ZINC000778533790 605593750 /nfs/dbraw/zinc/59/37/50/605593750.db2.gz KCQBDUOOIAFCSJ-UHFFFAOYSA-N -1 0 347.421 3.327 20 30 EGEDRM COc1ccc(C(=O)/C=C/c2ccc([O-])c([N+](=O)[O-])c2)c(OC)c1 ZINC000035475632 1291393350 /nfs/dbraw/zinc/39/33/50/1291393350.db2.gz AJTKHDACRMAHTD-XVNBXDOJSA-N -1 0 329.308 3.214 20 30 EGEDRM C[C@H](Oc1ccccc1)C(=O)[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC000045100192 1291505444 /nfs/dbraw/zinc/50/54/44/1291505444.db2.gz UVTKODQTBJEESE-LBPRGKRZSA-N -1 0 337.372 3.080 20 30 EGEDRM Cc1ccc(O[C@@H](C)C(=O)[N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000046927526 1291556768 /nfs/dbraw/zinc/55/67/68/1291556768.db2.gz WEPJCSRFSWKHIQ-AWEZNQCLSA-N -1 0 333.409 3.416 20 30 EGEDRM COc1ccc(CCC(=O)[N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000046927523 1291556938 /nfs/dbraw/zinc/55/69/38/1291556938.db2.gz VJGHGGAIRMIILU-UHFFFAOYSA-N -1 0 333.409 3.282 20 30 EGEDRM CCCOc1cccc(C(=O)[N-]S(=O)(=O)c2cccs2)c1 ZINC000048448989 1291605722 /nfs/dbraw/zinc/60/57/22/1291605722.db2.gz ZIOZWBUEIRILLV-UHFFFAOYSA-N -1 0 325.411 3.230 20 30 EGEDRM CCC[C@H](C(=O)[N-]S(=O)(=O)c1c(C)nn(C)c1C)c1ccccc1 ZINC000048533654 1291609681 /nfs/dbraw/zinc/60/96/81/1291609681.db2.gz KJHKFTMFGOQVGP-HNNXBMFYSA-N -1 0 349.456 3.266 20 30 EGEDRM Cc1ccc2c(CC(=O)[N-]S(=O)(=O)c3cccnc3)coc2c1 ZINC000048531853 1291610146 /nfs/dbraw/zinc/61/01/46/1291610146.db2.gz HTTYCRUHXXFFML-UHFFFAOYSA-N -1 0 330.365 3.024 20 30 EGEDRM O=C([N-]S(=O)(=O)c1ccccc1F)c1cc(Cl)ccc1F ZINC000048588313 1291612441 /nfs/dbraw/zinc/61/24/41/1291612441.db2.gz YHQXPPFYCPTRBB-UHFFFAOYSA-N -1 0 331.727 3.312 20 30 EGEDRM O=C([N-]S(=O)(=O)c1cnn(-c2ccccc2)c1)C1CCCCC1 ZINC000058113412 1291880103 /nfs/dbraw/zinc/88/01/03/1291880103.db2.gz OLVXZCADSXBUGB-UHFFFAOYSA-N -1 0 333.413 3.098 20 30 EGEDRM Cn1cc(CC(=O)[N-]S(=O)(=O)c2ccccc2)c2ccccc21 ZINC000062673870 1291996726 /nfs/dbraw/zinc/99/67/26/1291996726.db2.gz SKLZJLRZYSIEMM-UHFFFAOYSA-N -1 0 328.393 3.066 20 30 EGEDRM CC(C)(C)c1ncc(C(=O)[N-]S(=O)(=O)c2ccc(F)cc2)s1 ZINC000063234103 1292003082 /nfs/dbraw/zinc/00/30/82/1292003082.db2.gz MKNJWPLKJLVWJA-UHFFFAOYSA-N -1 0 342.417 3.273 20 30 EGEDRM Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)CC2 ZINC000066407747 1292115253 /nfs/dbraw/zinc/11/52/53/1292115253.db2.gz WTORPSOQNDQMJZ-DHZHZOJOSA-N -1 0 327.292 3.407 20 30 EGEDRM CCO[C@H](CC)C(=O)[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000066504026 1292118694 /nfs/dbraw/zinc/11/86/94/1292118694.db2.gz YIYPZCXFJWRRDO-LLVKDONJSA-N -1 0 339.335 3.166 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2ncccc2OCCCC#N)cc1C ZINC000069677474 1292248237 /nfs/dbraw/zinc/24/82/37/1292248237.db2.gz CBKYKUDVSDCMAR-UHFFFAOYSA-N -1 0 345.424 3.182 20 30 EGEDRM N#Cc1cccc(S(=O)(=O)[N-]C(=O)Cc2cccc(Cl)c2)c1 ZINC000070031336 1292254444 /nfs/dbraw/zinc/25/44/44/1292254444.db2.gz YAGYGKQTZGXVER-UHFFFAOYSA-N -1 0 334.784 3.100 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)CC[C@H]2CC[C@H](C)O2)cc1C ZINC000076757836 1292440199 /nfs/dbraw/zinc/44/01/99/1292440199.db2.gz HBWPPFFREGVNOI-UONOGXRCSA-N -1 0 325.430 3.296 20 30 EGEDRM C[C@@H]1CC[C@@H](CCC(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2)O1 ZINC000076755788 1292440334 /nfs/dbraw/zinc/44/03/34/1292440334.db2.gz XFCZSSMLUNUMAL-PWSUYJOCSA-N -1 0 331.821 3.333 20 30 EGEDRM CCOc1ccc(S(=O)(=O)[N-]C(=O)C2C(C)(C)C2(C)C)cc1 ZINC000080250615 1292592502 /nfs/dbraw/zinc/59/25/02/1292592502.db2.gz YBOAHPCZAUWBMZ-UHFFFAOYSA-N -1 0 325.430 3.413 20 30 EGEDRM C=CCN(Cc1cccs1)C(=O)CSc1n[n-]c(=S)s1 ZINC000080509638 1292607680 /nfs/dbraw/zinc/60/76/80/1292607680.db2.gz LMLVOYZVLYZWTB-UHFFFAOYSA-N -1 0 343.524 3.195 20 30 EGEDRM COc1ccsc1C(=O)[N-]S(=O)(=O)Cc1ccccc1Cl ZINC000083791276 1292689925 /nfs/dbraw/zinc/68/99/25/1292689925.db2.gz YQFAOGVQAYDRPF-UHFFFAOYSA-N -1 0 345.829 3.245 20 30 EGEDRM O=C([N-]S(=O)(=O)Cc1ccccc1Cl)[C@@H]1CC1(Cl)Cl ZINC000083791893 1292690752 /nfs/dbraw/zinc/69/07/52/1292690752.db2.gz TURJRVYZFXHXQA-QMMMGPOBSA-N -1 0 342.631 3.320 20 30 EGEDRM Cc1onc(-c2ccccc2)c1C(=O)[N-]S(=O)(=O)C1CCCC1 ZINC000086054753 1292727344 /nfs/dbraw/zinc/72/73/44/1292727344.db2.gz JJSPEDKJMNUWFB-UHFFFAOYSA-N -1 0 334.397 3.227 20 30 EGEDRM O=C([N-]S(=O)(=O)C1CCCC1)c1csc(-c2ccccc2)n1 ZINC000086055062 1292727701 /nfs/dbraw/zinc/72/77/01/1292727701.db2.gz HKGCXSHPSQSAAR-UHFFFAOYSA-N -1 0 336.438 3.387 20 30 EGEDRM Cc1oc(-c2ccco2)nc1CC(=O)[N-]S(=O)(=O)C1CCCC1 ZINC000086055714 1292728734 /nfs/dbraw/zinc/72/87/34/1292728734.db2.gz ZEIJMXFVDZPXNQ-UHFFFAOYSA-N -1 0 338.385 3.014 20 30 EGEDRM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)Cc2ccc(F)cc2F)c1 ZINC000088799877 1292756395 /nfs/dbraw/zinc/75/63/95/1292756395.db2.gz HZBJXJQYAOCCIW-UHFFFAOYSA-N -1 0 339.363 3.470 20 30 EGEDRM CC(C)Oc1ccc(S(=O)(=O)[N-]C(=O)CCc2ccncc2)cc1 ZINC000091127382 1292822055 /nfs/dbraw/zinc/82/20/55/1292822055.db2.gz RNGCBSCKJWZYCQ-UHFFFAOYSA-N -1 0 348.424 3.147 20 30 EGEDRM CC(C)Oc1ccc(S(=O)(=O)[N-]C(=O)CCc2ccco2)cc1 ZINC000091127363 1292822533 /nfs/dbraw/zinc/82/25/33/1292822533.db2.gz CVNGHCGPPFNQCS-UHFFFAOYSA-N -1 0 337.397 3.345 20 30 EGEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1cccc(OC2CCCC2)c1 ZINC000108938479 1293083987 /nfs/dbraw/zinc/08/39/87/1293083987.db2.gz VPXXRPGCGSRVQT-SFHVURJKSA-N -1 0 340.423 3.389 20 30 EGEDRM CCOC(=O)[C@@H]1CCC(N=Nc2ccc(C(=O)[O-])c(F)c2)[C@H](C)C1 ZINC000835009734 1293186774 /nfs/dbraw/zinc/18/67/74/1293186774.db2.gz BUNAXLIHVIVQRB-GHMZBOCLSA-N -1 0 336.363 3.291 20 30 EGEDRM CCc1cccc(C([O-])=C(C#N)C(=O)N[C@@H](CC)c2ccccc2)n1 ZINC000835342056 1293268784 /nfs/dbraw/zinc/26/87/84/1293268784.db2.gz YEXHKGRQAQKSEM-IRXDYDNUSA-N -1 0 335.407 3.234 20 30 EGEDRM CC(=CC(=O)C(C#N)=C([O-])c1nccn1C)c1ccccc1Cl ZINC000123151583 1293435393 /nfs/dbraw/zinc/43/53/93/1293435393.db2.gz RDXLNLOSNFPNGK-PRWOLLLXSA-N -1 0 327.771 3.069 20 30 EGEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc(-c2ccccc2F)o1 ZINC000123290318 1293440017 /nfs/dbraw/zinc/44/00/17/1293440017.db2.gz PIADAWBQNQFXHU-LBPRGKRZSA-N -1 0 337.310 3.025 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(C#N)c(Cl)c1 ZINC000123807556 1293456593 /nfs/dbraw/zinc/45/65/93/1293456593.db2.gz HMMOHHYQVNETCS-CQSZACIVSA-N -1 0 331.803 3.231 20 30 EGEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(Oc2ccccc2)cc1 ZINC000124407711 1293474446 /nfs/dbraw/zinc/47/44/46/1293474446.db2.gz UFPAATNASINBSF-SFHVURJKSA-N -1 0 334.375 3.424 20 30 EGEDRM CCCCCCCC(=O)[N-]S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000127310419 1293559166 /nfs/dbraw/zinc/55/91/66/1293559166.db2.gz MHXLYYCPXOVJLI-UHFFFAOYSA-N -1 0 332.853 3.042 20 30 EGEDRM N#CC(C(=O)NC1CC1)=C([O-])c1cnc(-c2ccccc2Cl)s1 ZINC000127662596 1293570570 /nfs/dbraw/zinc/57/05/70/1293570570.db2.gz GGOGPDOEAWXSQK-LLVKDONJSA-N -1 0 345.811 3.065 20 30 EGEDRM N#CC(C(=O)NC1CC1)=C([O-])c1cc2c(s1)-c1ccccc1CC2 ZINC000129177109 1293616467 /nfs/dbraw/zinc/61/64/67/1293616467.db2.gz WQRPDQOKVASRFL-HNNXBMFYSA-N -1 0 336.416 3.115 20 30 EGEDRM N#CC(C(=O)NC1CC1)=C([O-])c1ccc(C2SCCCS2)cc1 ZINC000129247596 1293618689 /nfs/dbraw/zinc/61/86/89/1293618689.db2.gz RZRADWROLXJXBN-AWEZNQCLSA-N -1 0 346.477 3.156 20 30 EGEDRM Cc1cccc(COc2cccc(C([O-])=C(C#N)C(=O)NC3CC3)c2)c1 ZINC000129328906 1293621189 /nfs/dbraw/zinc/62/11/89/1293621189.db2.gz JLKXHVBXLQEDPU-IBGZPJMESA-N -1 0 348.402 3.175 20 30 EGEDRM CCC(CC)(C/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-])C(=O)OC ZINC000129580649 1293628330 /nfs/dbraw/zinc/62/83/30/1293628330.db2.gz AKWZFHNOUSDSEM-CAOOACKPSA-N -1 0 342.779 3.352 20 30 EGEDRM Cc1nc(-c2cccs2)sc1C([O-])=C(C#N)C(=O)NC(C)C ZINC000130712700 1293666986 /nfs/dbraw/zinc/66/69/86/1293666986.db2.gz SMSKFRFAPXKKAT-JTQLQIEISA-N -1 0 333.438 3.027 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)C(=O)NC(C)C)c(C)n1-c1ccc(F)cc1 ZINC000130812119 1293669732 /nfs/dbraw/zinc/66/97/32/1293669732.db2.gz VUNOXQDBNSCEJV-KRWDZBQOSA-N -1 0 341.386 3.080 20 30 EGEDRM C=C[C@H](CC(=O)[N-]S(=O)(=O)c1cc(C)cc(F)c1)c1ccccc1 ZINC000133405446 1293743988 /nfs/dbraw/zinc/74/39/88/1293743988.db2.gz KOSABBKXZIWWRS-CQSZACIVSA-N -1 0 347.411 3.299 20 30 EGEDRM C=C[C@H](CC(=O)[N-]S(=O)(=O)/C=C/c1ccccc1)c1ccccc1 ZINC000136044568 1293807362 /nfs/dbraw/zinc/80/73/62/1293807362.db2.gz HVHCCODHILYUOS-TUQDCPSNSA-N -1 0 341.432 3.463 20 30 EGEDRM COCCOc1ccccc1/C=C/C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000136502314 1293816349 /nfs/dbraw/zinc/81/63/49/1293816349.db2.gz GZWDSRFOSAOWOA-SOFGYWHQSA-N -1 0 343.335 3.222 20 30 EGEDRM C[C@H]1c2c(c(O)ccc2F)C(=O)/C1=C/c1ccc(-n2cncn2)cc1 ZINC000137838754 1293832234 /nfs/dbraw/zinc/83/22/34/1293832234.db2.gz OFCCMOFTLRWROQ-GYBQTFJISA-N -1 0 335.338 3.495 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2cc(F)cc(C(F)(F)F)c2)C(=O)O1 ZINC000157203110 1294171126 /nfs/dbraw/zinc/17/11/26/1294171126.db2.gz ZVAXSHADVAAWHR-BAABZTOOSA-N -1 0 342.244 3.073 20 30 EGEDRM CC(C)C[C@@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])C(=O)OC(C)(C)C ZINC000159851395 1294248940 /nfs/dbraw/zinc/24/89/40/1294248940.db2.gz GIFIIXAAYMNMKE-YFEUJDIGSA-N -1 0 336.388 3.476 20 30 EGEDRM CCCCCCCCC(=O)[N-]S(=O)(=O)c1cccc(F)c1C#N ZINC000160044362 1294255741 /nfs/dbraw/zinc/25/57/41/1294255741.db2.gz DVPNPEHCUAGUMH-UHFFFAOYSA-N -1 0 340.420 3.253 20 30 EGEDRM N#CCOc1ccccc1C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000163687204 1294337796 /nfs/dbraw/zinc/33/77/96/1294337796.db2.gz HJAQHDDIMBZKNK-UHFFFAOYSA-N -1 0 325.349 3.271 20 30 EGEDRM COc1cccc(NC(=O)C(C#N)=C([O-])c2csc(C(C)C)n2)c1 ZINC000171146094 1294396477 /nfs/dbraw/zinc/39/64/77/1294396477.db2.gz DMFWAICMEOUJCY-ZDUSSCGKSA-N -1 0 343.408 3.236 20 30 EGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CCc1cscn1 ZINC000172019061 1294426244 /nfs/dbraw/zinc/42/62/44/1294426244.db2.gz XADGFHXYJJQAPW-CQSZACIVSA-N -1 0 337.404 3.457 20 30 EGEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1cc(Oc2ccccc2)ccn1 ZINC000173968930 1294475241 /nfs/dbraw/zinc/47/52/41/1294475241.db2.gz NEHXTILLACLQMI-KRWDZBQOSA-N -1 0 349.390 3.255 20 30 EGEDRM COc1ccc2sc(C([O-])=C(C#N)C(=O)NC(C)C)c(C)c2c1 ZINC000173982881 1294475529 /nfs/dbraw/zinc/47/55/29/1294475529.db2.gz VNKHSVUPZUHJJV-CYBMUJFWSA-N -1 0 330.409 3.065 20 30 EGEDRM Cc1nc2cc(F)cc(C(=O)Nc3cc(C#N)ccc3[O-])c2nc1C ZINC000179727841 1294820638 /nfs/dbraw/zinc/82/06/38/1294820638.db2.gz JNUIHSFWAWZYKZ-UHFFFAOYSA-N -1 0 336.326 3.215 20 30 EGEDRM Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1cc(C#N)ccc1[O-] ZINC000179732388 1294821649 /nfs/dbraw/zinc/82/16/49/1294821649.db2.gz IYTYEBNAUQGKPX-UHFFFAOYSA-N -1 0 335.367 3.150 20 30 EGEDRM CC(=O)Nc1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])c([O-])c2)cc1 ZINC000180445417 1294888455 /nfs/dbraw/zinc/88/84/55/1294888455.db2.gz GQJXGAZLEISRPA-YCRREMRBSA-N -1 0 326.308 3.155 20 30 EGEDRM C#CCCCCC(=O)[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1C ZINC000180809827 1294917119 /nfs/dbraw/zinc/91/71/19/1294917119.db2.gz VSEAPOKROLUBSJ-UHFFFAOYSA-N -1 0 347.358 3.012 20 30 EGEDRM O=C(C#Cc1ccc(C(F)(F)F)cc1)NCc1ccc(O)c(F)c1 ZINC000189555805 1295530794 /nfs/dbraw/zinc/53/07/94/1295530794.db2.gz GBJDILDMQMFWMW-UHFFFAOYSA-N -1 0 337.272 3.218 20 30 EGEDRM CCc1ccc(F)cc1C([O-])=C(C#N)C(=O)NCc1cccc(C)c1 ZINC000870308084 1295804856 /nfs/dbraw/zinc/80/48/56/1295804856.db2.gz GDZQMPSYIVGFPU-SFHVURJKSA-N -1 0 338.382 3.335 20 30 EGEDRM COc1cc(/C=C\C(=O)c2cc(O)ccc2O)cc(OC)c1OC ZINC000218761580 1296122325 /nfs/dbraw/zinc/12/23/25/1296122325.db2.gz RZFQAMXTPRVZSJ-XQRVVYSFSA-N -1 0 330.336 3.020 20 30 EGEDRM C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCCCCC(=O)[O-] ZINC000237915714 1296271685 /nfs/dbraw/zinc/27/16/85/1296271685.db2.gz QRWRRQCGNOOZRX-UHFFFAOYSA-N -1 0 345.317 3.255 20 30 EGEDRM COc1cc(C(C)=NNc2ccc(C(=O)[O-])cc2)cc(OC)c1OC ZINC000254479094 1296472379 /nfs/dbraw/zinc/47/23/79/1296472379.db2.gz SFADZUMHIJUGAX-UHFFFAOYSA-N -1 0 344.367 3.247 20 30 EGEDRM CCOc1ccc(C=Nn2c(=S)[n-]nc2-c2ccco2)cc1OC ZINC000254708108 1296476496 /nfs/dbraw/zinc/47/64/96/1296476496.db2.gz WMPHJEZAUTVTHD-UHFFFAOYSA-N -1 0 344.396 3.490 20 30 EGEDRM C[C@](O)(C/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccsc1 ZINC000255174208 1296507215 /nfs/dbraw/zinc/50/72/15/1296507215.db2.gz UPRYJPBKXBWKLD-CWSGUEHPSA-N -1 0 340.788 3.342 20 30 EGEDRM O=C(C/N=C\c1cc(Cl)ccc1O)N1CCCc2ccccc21 ZINC000255364340 1296524012 /nfs/dbraw/zinc/52/40/12/1296524012.db2.gz OQGZVDDSUNQPQD-JAIQZWGSSA-N -1 0 328.799 3.444 20 30 EGEDRM CCOc1ccc([N+](=O)[O-])cc1/C=C\C(=O)c1cc(O)ccc1[O-] ZINC000255428497 1296533040 /nfs/dbraw/zinc/53/30/40/1296533040.db2.gz TUDNYAMTMMTMEM-UTCJRWHESA-N -1 0 329.308 3.301 20 30 EGEDRM Cc1noc(C)c1/C=C\C(=O)c1ccc(OCCCC(=O)[O-])cc1 ZINC000255542034 1296544767 /nfs/dbraw/zinc/54/47/67/1296544767.db2.gz XRCHWGOJEVZFEE-KTKRTIGZSA-N -1 0 329.352 3.431 20 30 EGEDRM CCc1nn(C)cc1/C=C\C(=O)c1ccc(OCCCC(=O)[O-])cc1 ZINC000255628936 1296554858 /nfs/dbraw/zinc/55/48/58/1296554858.db2.gz HZYUIYIWRHZTQP-FLIBITNWSA-N -1 0 342.395 3.122 20 30 EGEDRM COc1cc(/C=C\C(=O)c2cc(F)cc(F)c2)cc([N+](=O)[O-])c1[O-] ZINC000255673731 1296560277 /nfs/dbraw/zinc/56/02/77/1296560277.db2.gz DCBPLOJDFCGGGR-IHWYPQMZSA-N -1 0 335.262 3.483 20 30 EGEDRM O=C(/C=C\c1ccc(N2CCOCC2)cc1)c1ccc(F)cc1[O-] ZINC000255846032 1296571740 /nfs/dbraw/zinc/57/17/40/1296571740.db2.gz RLTLSKHQDGIODC-BAQGIRSFSA-N -1 0 327.355 3.264 20 30 EGEDRM C[C@H](CC(=O)[O-])CC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000872846902 1297139291 /nfs/dbraw/zinc/13/92/91/1297139291.db2.gz JYIFDCINQLVCSW-LBPRGKRZSA-N -1 0 342.420 3.404 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)N2Cc3ccccc3[C@@H](C)C2)cc1C#N ZINC000874487547 1297919571 /nfs/dbraw/zinc/91/95/71/1297919571.db2.gz VFMJAGPSJNRENJ-NSHDSACASA-N -1 0 339.420 3.140 20 30 EGEDRM COc1cccc(/C=C\C(=O)c2cccc(OCC(=O)[O-])c2)c1F ZINC000588619256 1298093299 /nfs/dbraw/zinc/09/32/99/1298093299.db2.gz VFBYHPGCRXDJKZ-HJWRWDBZSA-N -1 0 330.311 3.194 20 30 EGEDRM CCc1nc2ccccc2n1N=Cc1cccc(OCCC(=O)[O-])c1 ZINC000746681976 1298640535 /nfs/dbraw/zinc/64/05/35/1298640535.db2.gz JMVQBVMWDGNJAU-UHFFFAOYSA-N -1 0 337.379 3.334 20 30 EGEDRM N#CCn1cc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)cn1 ZINC000747406361 1298777095 /nfs/dbraw/zinc/77/70/95/1298777095.db2.gz DFISSOBEJFFCBZ-UHFFFAOYSA-N -1 0 344.440 3.255 20 30 EGEDRM CCn1nccc1/C=C\C(=O)c1cc(C(=O)[O-])ccc1OC(C)C ZINC000876498396 1298794039 /nfs/dbraw/zinc/79/40/39/1298794039.db2.gz XTXSZWIDXYCYPQ-SREVYHEPSA-N -1 0 328.368 3.285 20 30 EGEDRM C[C@@H](Oc1cccc(C=NNc2cc(F)c(F)c(F)c2)c1)C(=O)[O-] ZINC000747642652 1298814306 /nfs/dbraw/zinc/81/43/06/1298814306.db2.gz RXPNSYIDQUKYLF-SECBINFHSA-N -1 0 338.285 3.402 20 30 EGEDRM O=c1c2ccccc2[n-]c(=S)n1N=CC=Cc1ccc(F)cc1 ZINC000747750616 1298854076 /nfs/dbraw/zinc/85/40/76/1298854076.db2.gz BVCMDAWEIWEGFB-YEYGOYOGSA-N -1 0 325.368 3.372 20 30 EGEDRM COc1cc(C)cc2c1OC/C(=C/c1ccc([N+](=O)[O-])c([O-])c1)C2=O ZINC000748148722 1298936656 /nfs/dbraw/zinc/93/66/56/1298936656.db2.gz WXXPTVHJRYQRRQ-GHXNOFRVSA-N -1 0 341.319 3.276 20 30 EGEDRM O=C(/C=C\c1ccc([N+](=O)[O-])c([O-])c1)c1cnn(-c2ccccc2)c1 ZINC000748145830 1298937015 /nfs/dbraw/zinc/93/70/15/1298937015.db2.gz AGJVNENDLZUQLS-CLFYSBASSA-N -1 0 335.319 3.382 20 30 EGEDRM CC(C)N(CCC(=O)Nc1cc(C#N)ccc1[O-])C(=O)OC(C)(C)C ZINC000748412126 1299004250 /nfs/dbraw/zinc/00/42/50/1299004250.db2.gz JZCDDJQQYPNZBT-UHFFFAOYSA-N -1 0 347.415 3.238 20 30 EGEDRM COc1ccc2c(c1)O/C(=C/c1cccc(OCCC(=O)[O-])c1)C2=O ZINC000749132263 1299149804 /nfs/dbraw/zinc/14/98/04/1299149804.db2.gz LBUCPMVLDLDKQY-LICLKQGHSA-N -1 0 340.331 3.165 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)C[C@H]2CCC[C@@H](C)C2)n1 ZINC000750239832 1299362366 /nfs/dbraw/zinc/36/23/66/1299362366.db2.gz IBCGCWJDCCVVTM-KWCYVHTRSA-N -1 0 334.441 3.387 20 30 EGEDRM COc1cccc2c1OCC[C@H]2/N=C\c1cc([N+](=O)[O-])ccc1[O-] ZINC000750950680 1299486811 /nfs/dbraw/zinc/48/68/11/1299486811.db2.gz ZFBREMYNUQRVNJ-FNHQQPGVSA-N -1 0 328.324 3.252 20 30 EGEDRM N#Cc1cccc(S(=O)(=O)[N-]c2nnc(C3CCCCC3)s2)c1 ZINC000752197614 1299710173 /nfs/dbraw/zinc/71/01/73/1299710173.db2.gz WWZVVKPHNIVHHJ-UHFFFAOYSA-N -1 0 348.453 3.258 20 30 EGEDRM COc1ccc(NC(=S)NN=Cc2cccc(Cl)c2[O-])cc1 ZINC000753160767 1299885320 /nfs/dbraw/zinc/88/53/20/1299885320.db2.gz MSWDLRHTKUPQQV-UHFFFAOYSA-N -1 0 335.816 3.375 20 30 EGEDRM CC(=NNc1ccc(C(=O)[O-])cc1)c1ccc2c(c1)CCC(=O)N2C ZINC000754693681 1300191867 /nfs/dbraw/zinc/19/18/67/1300191867.db2.gz IIBSLLATPUUALC-UHFFFAOYSA-N -1 0 337.379 3.130 20 30 EGEDRM CC[C@@H](C)c1ccc(C([O-])=C(C#N)C(=O)NCCCOC(C)C)cc1 ZINC000756222510 1300453868 /nfs/dbraw/zinc/45/38/68/1300453868.db2.gz BLIPLLKXEQZTJJ-CRAIPNDOSA-N -1 0 344.455 3.454 20 30 EGEDRM C#CC[C@H](NC(=O)C[C@](C)(C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000756845858 1300574676 /nfs/dbraw/zinc/57/46/76/1300574676.db2.gz HEPVZHKADHEGMK-RXVVDRJESA-N -1 0 335.403 3.300 20 30 EGEDRM CC(=NNCCCOc1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000758121227 1300790772 /nfs/dbraw/zinc/79/07/72/1300790772.db2.gz VYZPZBITDKHWRT-UHFFFAOYSA-N -1 0 329.356 3.083 20 30 EGEDRM Cc1nn(-c2ccccc2)c(Cl)c1C([O-])=C(C#N)c1ccncn1 ZINC000760335844 1301255616 /nfs/dbraw/zinc/25/56/16/1301255616.db2.gz VVXQOLAPFIEQJQ-CYBMUJFWSA-N -1 0 337.770 3.114 20 30 EGEDRM C[C@@H](Oc1cccc(C=NNCc2cnc3ccccc3c2)c1)C(=O)[O-] ZINC000764787162 1302136153 /nfs/dbraw/zinc/13/61/53/1302136153.db2.gz ANPVAIGZCCHMOS-CQSZACIVSA-N -1 0 349.390 3.210 20 30 EGEDRM O=C([O-])c1ccc2c(C=NNc3ccc(OC(F)F)cc3)[nH]nc2c1 ZINC000765572870 1302284839 /nfs/dbraw/zinc/28/48/39/1302284839.db2.gz WMBRBYJPRBPYER-UHFFFAOYSA-N -1 0 346.293 3.309 20 30 EGEDRM O=C([O-])c1ccc2c(C=NNCc3ccc(Cl)cc3)[nH]nc2c1 ZINC000765584317 1302285658 /nfs/dbraw/zinc/28/56/58/1302285658.db2.gz OYKDBOXJGVLXQM-UHFFFAOYSA-N -1 0 328.759 3.038 20 30 EGEDRM CCCCC1N=NC(=S)N1N=Cc1cc(Cl)cc(F)c1[O-] ZINC000768353266 1302886250 /nfs/dbraw/zinc/88/62/50/1302886250.db2.gz XBHBDDKSAQDKEW-UHFFFAOYSA-N -1 0 328.800 3.290 20 30 EGEDRM [O-]c1c(Cl)cc(Cl)cc1/C=N\[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000770568841 1303286580 /nfs/dbraw/zinc/28/65/80/1303286580.db2.gz PRHOEIJXVMNCML-DHKSUEGESA-N -1 0 330.211 3.456 20 30 EGEDRM CCOc1ccccc1-c1cccc(C([O-])=C(C#N)C(=O)NC2CC2)c1 ZINC000772643606 1303558129 /nfs/dbraw/zinc/55/81/29/1303558129.db2.gz BOENSZSCIKGLKG-GOSISDBHSA-N -1 0 348.402 3.353 20 30 EGEDRM Cc1ccc([N+](=O)[O-])cc1C(=O)/C=C\c1cc([O-])ccc1[N+](=O)[O-] ZINC000772806615 1303580422 /nfs/dbraw/zinc/58/04/22/1303580422.db2.gz MMGXZBFQRLARLR-CLTKARDFSA-N -1 0 328.280 3.413 20 30 EGEDRM Cc1c(C(=O)[O-])oc2c1C(=NNc1nccnc1C(C)C)CCC2 ZINC000773090978 1303622732 /nfs/dbraw/zinc/62/27/32/1303622732.db2.gz LMKNVHLSHSPALG-UHFFFAOYSA-N -1 0 328.372 3.352 20 30 EGEDRM C[C@@H](Cc1ccccc1)n1cccc1C([O-])=C(C#N)C(=O)N1CCCC1 ZINC000773765591 1303737280 /nfs/dbraw/zinc/73/72/80/1303737280.db2.gz YEDKIJQFIDMDOE-WMZOPIPTSA-N -1 0 349.434 3.237 20 30 EGEDRM C=CCCC[C@@H](C)OC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000773872780 1303749457 /nfs/dbraw/zinc/74/94/57/1303749457.db2.gz VNUYVDUXBANIPI-LLVKDONJSA-N -1 0 332.425 3.124 20 30 EGEDRM Cc1nc(-c2ccccc2C)sc1C([O-])=C(C#N)C(=O)NC(C)C ZINC000773976038 1303759063 /nfs/dbraw/zinc/75/90/63/1303759063.db2.gz HVFUCTSDEOBQKB-CQSZACIVSA-N -1 0 341.436 3.274 20 30 EGEDRM C=CCNC(=O)C(C#N)=C([O-])c1sc(-c2ccccc2C)nc1C ZINC000773979758 1303760079 /nfs/dbraw/zinc/76/00/79/1303760079.db2.gz KTOOQHLSFRMPAW-AWEZNQCLSA-N -1 0 339.420 3.052 20 30 EGEDRM COc1ccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)cc1C1CC1 ZINC000774042805 1303767668 /nfs/dbraw/zinc/76/76/68/1303767668.db2.gz KMRQHDMHHRNMFI-QGZVFWFLSA-N -1 0 340.423 3.344 20 30 EGEDRM CCCCCC[C@@](C)(CC)C(=O)[N-]S(=O)(=O)CC(C)(C)C#N ZINC000776144953 1304101178 /nfs/dbraw/zinc/10/11/78/1304101178.db2.gz YMBNOYVAYUEFCF-MRXNPFEDSA-N -1 0 330.494 3.369 20 30 EGEDRM Cc1nc(C)c(C(C)N=Nc2ncnc3sccc32)cc1C(=O)[O-] ZINC000776725023 1304188069 /nfs/dbraw/zinc/18/80/69/1304188069.db2.gz YPALGSKEHDDBSU-UHFFFAOYSA-N -1 0 341.396 3.237 20 30 EGEDRM CC(N=Nc1ncnc2ccsc21)c1ccc(C(=O)[O-])c(F)c1 ZINC000776775048 1304197301 /nfs/dbraw/zinc/19/73/01/1304197301.db2.gz AJLAZVLZVLDWNB-UHFFFAOYSA-N -1 0 330.344 3.365 20 30 EGEDRM CC(=NNc1ccc(C(=O)[O-])cc1)c1cc2c(s1)SCC(=O)N2 ZINC000778532923 1304460011 /nfs/dbraw/zinc/46/00/11/1304460011.db2.gz RAPINUGZIKFZKY-UHFFFAOYSA-N -1 0 347.421 3.327 20 30 EGEDRM COc1cc(OC)c(/C=C/C(=O)c2csc(C(=O)[O-])c2)c(OC)c1 ZINC000779462273 1304575161 /nfs/dbraw/zinc/57/51/61/1304575161.db2.gz KRIWCRJRKQIZNX-SNAWJCMRSA-N -1 0 348.376 3.368 20 30 EGEDRM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccccc2O[C@@H](C)C#N)c1 ZINC000779846270 1304613832 /nfs/dbraw/zinc/61/38/32/1304613832.db2.gz XVBACTBXYXFCJO-LBPRGKRZSA-N -1 0 334.372 3.226 20 30 EGEDRM CC(=NN[C@H]1CCCOC1)c1cc(Br)cc(Cl)c1[O-] ZINC000780260656 1304666680 /nfs/dbraw/zinc/66/66/80/1304666680.db2.gz GAQOOTVKTHDALU-JTQLQIEISA-N -1 0 347.640 3.301 20 30 EGEDRM C[C@@H](Oc1cccc(/C=C/C(=O)c2ccnc(Cl)c2)c1)C(=O)[O-] ZINC000782186388 1304927198 /nfs/dbraw/zinc/92/71/98/1304927198.db2.gz YIIIJUKBOMQPOK-MVIFTORASA-N -1 0 331.755 3.483 20 30 EGEDRM CC(=O)N1Cc2ccccc2C(=O)/C(=C\c2cc(C(=O)[O-])cs2)C1 ZINC000782206245 1304931500 /nfs/dbraw/zinc/93/15/00/1304931500.db2.gz JIBZSJOJIRDGBK-MLPAPPSSSA-N -1 0 341.388 3.075 20 30 EGEDRM O=C(C=Cc1cc(F)c([O-])c(F)c1)c1ccc(N2CCNC2=O)cc1 ZINC000782369708 1304962948 /nfs/dbraw/zinc/96/29/48/1304962948.db2.gz NYWHTBPYDLFBRY-BHQIHCQQSA-N -1 0 344.317 3.096 20 30 EGEDRM CCCCS[C@H](C)C(=O)OCC([O-])=C(C#N)c1nc(C)cs1 ZINC000785748911 1305423454 /nfs/dbraw/zinc/42/34/54/1305423454.db2.gz MNCYSCNHYPZRHC-VXGBXAGGSA-N -1 0 340.470 3.093 20 30 EGEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1ccc2cc[nH]c2n1)c1ccccc1 ZINC000787040630 1305681905 /nfs/dbraw/zinc/68/19/05/1305681905.db2.gz WDKCGXLXQVQEQU-HOTGVXAUSA-N -1 0 346.390 3.153 20 30 EGEDRM O=C([O-])[C@@H]1CCC(N=Nc2nncc3ccccc32)c2ccccc21 ZINC000788953862 1306049427 /nfs/dbraw/zinc/04/94/27/1306049427.db2.gz DKBFOZUGOSJACH-MRXNPFEDSA-N -1 0 332.363 3.408 20 30 EGEDRM CC(C)Cc1ccccc1C(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC000791871416 1309081166 /nfs/dbraw/zinc/08/11/66/1309081166.db2.gz SZPFHUFUEUUUEW-UHFFFAOYSA-N -1 0 348.468 3.029 20 30 EGEDRM N#CC(=C([O-])C1=Cc2ccccc2OC1)c1cnc2ccccc2n1 ZINC000792110522 1309122599 /nfs/dbraw/zinc/12/25/99/1309122599.db2.gz RBIROQIHUVXNNF-OAHLLOKOSA-N -1 0 327.343 3.282 20 30 EGEDRM FC(F)(F)c1n[n-]c(=S)n1N=Cc1ccc2c(c1)CCCC2 ZINC000792898720 1309254407 /nfs/dbraw/zinc/25/44/07/1309254407.db2.gz FKRHXBWRRSPWFR-UHFFFAOYSA-N -1 0 326.347 3.347 20 30 EGEDRM CC[C@@H](NN=Cc1ccc(OCc2cccc(F)c2)cc1)C(=O)[O-] ZINC000793077860 1309292326 /nfs/dbraw/zinc/29/23/26/1309292326.db2.gz IVQJULQWBKIQTC-QGZVFWFLSA-N -1 0 330.359 3.191 20 30 EGEDRM COC(=O)c1ccc(Cl)c(C=NNc2ccc(C(=O)[O-])cc2)c1 ZINC000794845654 1309606641 /nfs/dbraw/zinc/60/66/41/1309606641.db2.gz SMEMMMZNOWYDDP-UHFFFAOYSA-N -1 0 332.743 3.271 20 30 EGEDRM C[C@@H](Oc1cccc(/C=C2\CCc3ccc(O)cc3C2=O)c1)C(=O)[O-] ZINC000794960236 1309632889 /nfs/dbraw/zinc/63/28/89/1309632889.db2.gz OVERPJJECCNHRT-KMHUVPDISA-N -1 0 338.359 3.457 20 30 EGEDRM C=CCC(C)(C)C(=O)[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000796698321 1310066032 /nfs/dbraw/zinc/06/60/32/1310066032.db2.gz UIXCSGSRAVUHJB-UHFFFAOYSA-N -1 0 335.347 3.113 20 30 EGEDRM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1cncs1 ZINC000796748037 1310078300 /nfs/dbraw/zinc/07/83/00/1310078300.db2.gz NXEQBOGBTLYKFR-CYBMUJFWSA-N -1 0 327.409 3.229 20 30 EGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)c1occ2c1CCOC2 ZINC000796752056 1310079988 /nfs/dbraw/zinc/07/99/88/1310079988.db2.gz FEJNRSGJGBVECB-OAHLLOKOSA-N -1 0 348.358 3.347 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)NCCc1cccc(-c2ccccc2)c1 ZINC000797722806 1310237103 /nfs/dbraw/zinc/23/71/03/1310237103.db2.gz OQGFOXQZPVSKJS-UHFFFAOYSA-N -1 0 338.407 3.178 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000797749357 1310241539 /nfs/dbraw/zinc/24/15/39/1310241539.db2.gz WCMJNIUJSAHUFD-UHFFFAOYSA-N -1 0 330.306 3.286 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)Nc1ccc(OCC(F)(F)F)c(C)c1 ZINC000797743934 1310241716 /nfs/dbraw/zinc/24/17/16/1310241716.db2.gz GLMFBRVPSFSQJV-UHFFFAOYSA-N -1 0 346.305 3.041 20 30 EGEDRM N#Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000798211093 1310317634 /nfs/dbraw/zinc/31/76/34/1310317634.db2.gz YJTAJJAYLAKXNU-UHFFFAOYSA-N -1 0 346.170 3.200 20 30 EGEDRM C[C@@H](OC(=O)c1cc([S-])ccc1F)C(=O)Nc1cccc(C#N)c1 ZINC000798723970 1310430117 /nfs/dbraw/zinc/43/01/17/1310430117.db2.gz CNUUIGNZMPWPHF-SNVBAGLBSA-N -1 0 344.367 3.170 20 30 EGEDRM CCCCCCCS(=O)(=O)[N-]c1nnc(CC(F)(F)F)s1 ZINC000799641616 1310593230 /nfs/dbraw/zinc/59/32/30/1310593230.db2.gz MDYYXYBRBGCWLM-UHFFFAOYSA-N -1 0 345.412 3.355 20 30 EGEDRM CCCc1nc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)co1 ZINC000802043206 1316975936 /nfs/dbraw/zinc/97/59/36/1316975936.db2.gz TVOMOEFOGDJKEW-SNVBAGLBSA-N -1 0 331.759 3.242 20 30 EGEDRM C=C[C@H](CC)CC(=O)N1CCC(c2nc(C)c(C(=O)[O-])s2)CC1 ZINC000899298300 1316986875 /nfs/dbraw/zinc/98/68/75/1316986875.db2.gz OBRYIDULPSRZDW-GFCCVEGCSA-N -1 0 336.457 3.458 20 30 EGEDRM Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C\c1cnn(CC3CCC3)c1)CC2 ZINC000899348109 1316997634 /nfs/dbraw/zinc/99/76/34/1316997634.db2.gz PEOPVQVNSRNDEP-AUWJEWJLSA-N -1 0 340.379 3.495 20 30 EGEDRM Cc1ccc([C@@H](CC(=O)N[C@H](C)c2cccc(C#N)c2)C(=O)[O-])cc1 ZINC000899770225 1317151143 /nfs/dbraw/zinc/15/11/43/1317151143.db2.gz KWJUZSAFNNSFBG-RDTXWAMCSA-N -1 0 336.391 3.302 20 30 EGEDRM C=CCN(CCc1ccccc1)C(=O)[C@H]1[C@H]2C=C[C@H](C2)[C@@]1(C)C(=O)[O-] ZINC000899803651 1317167570 /nfs/dbraw/zinc/16/75/70/1317167570.db2.gz SDJMUACFUOUKAJ-XKGFGPFHSA-N -1 0 339.435 3.157 20 30 EGEDRM C=CCCCCCCNC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000805217627 1317326566 /nfs/dbraw/zinc/32/65/66/1317326566.db2.gz GULSRDWJZQEYJA-UHFFFAOYSA-N -1 0 345.468 3.089 20 30 EGEDRM COCCOc1cccc(/C=C2/CCc3occ(C(=O)[O-])c3C2=O)c1 ZINC000901513786 1317437476 /nfs/dbraw/zinc/43/74/76/1317437476.db2.gz DVDCTMJANLFWRX-LCYFTJDESA-N -1 0 342.347 3.216 20 30 EGEDRM COc1ccc(/C=C\C(=O)c2cccc(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000806558623 1317500747 /nfs/dbraw/zinc/50/07/47/1317500747.db2.gz HUCHQNDQUJRBLR-ALCCZGGFSA-N -1 0 327.292 3.198 20 30 EGEDRM CC(=O)Nc1ccc(/C=C2\C[C@H](C(=O)[O-])c3ccccc3C2=O)cc1 ZINC000806562290 1317501863 /nfs/dbraw/zinc/50/18/63/1317501863.db2.gz IDDLHVLIOQKTSQ-MDNBWPLSSA-N -1 0 335.359 3.483 20 30 EGEDRM CCO[C@@H]1CC(N=Nc2ccc(Cl)c(C(=O)[O-])c2)[C@@H]1SC ZINC000807943431 1317602865 /nfs/dbraw/zinc/60/28/65/1317602865.db2.gz GAPOZHXBGCJFQJ-OLZOCXBDSA-N -1 0 328.821 3.347 20 30 EGEDRM Cc1cc(C#N)c([N-]S(=O)(=O)c2c(C)nn(C(C)C)c2C)s1 ZINC000903169631 1317667620 /nfs/dbraw/zinc/66/76/20/1317667620.db2.gz NOEVTUGKTFXSJU-UHFFFAOYSA-N -1 0 338.458 3.123 20 30 EGEDRM COCCOCc1ccc(/C=C\C(=O)c2ccc(O)cc2[O-])cc1 ZINC000809156389 1317775933 /nfs/dbraw/zinc/77/59/33/1317775933.db2.gz BBVJRVDBQNPSKE-TWGQIWQCSA-N -1 0 328.364 3.157 20 30 EGEDRM COc1ccc2c(c1F)C/C(=C/c1cccc(OCC(=O)[O-])c1)C2=O ZINC000809156881 1317776619 /nfs/dbraw/zinc/77/66/19/1317776619.db2.gz OLDAIOYZKAGOAH-GHXNOFRVSA-N -1 0 342.322 3.120 20 30 EGEDRM O=C(/C=C/c1ccc(N2CCC(O)CC2)cc1)c1c([O-])cccc1F ZINC000905082857 1317922273 /nfs/dbraw/zinc/92/22/73/1317922273.db2.gz BSTWKEFBZVIWKY-RMKNXTFCSA-N -1 0 341.382 3.389 20 30 EGEDRM C#CCCS(=O)(=O)[N-]C(=O)C1(c2ccc(C(C)C)cc2)CCCC1 ZINC000810783975 1318056003 /nfs/dbraw/zinc/05/60/03/1318056003.db2.gz MUEQEVBFJNHBKN-UHFFFAOYSA-N -1 0 347.480 3.091 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)CCCc2ccccc2Cl)CC1 ZINC000810982334 1318085179 /nfs/dbraw/zinc/08/51/79/1318085179.db2.gz OMCYFQPKXFORSY-UHFFFAOYSA-N -1 0 341.860 3.217 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2ccccc2CSCC)CC1 ZINC000810981281 1318085253 /nfs/dbraw/zinc/08/52/53/1318085253.db2.gz OYBARXKSMPMBTP-UHFFFAOYSA-N -1 0 339.482 3.108 20 30 EGEDRM COc1cccc(N=NC2CCCCc3cc(C(=O)[O-])ccc32)n1 ZINC000811647426 1318218867 /nfs/dbraw/zinc/21/88/67/1318218867.db2.gz MKAALMPOZLPDCL-UHFFFAOYSA-N -1 0 325.368 3.331 20 30 EGEDRM O=C(/C=C\c1ccc([O-])c([N+](=O)[O-])c1)c1ccc(Br)nc1 ZINC000811695854 1318229985 /nfs/dbraw/zinc/22/99/85/1318229985.db2.gz MVCQVFPAYICLQH-RJRFIUFISA-N -1 0 349.140 3.354 20 30 EGEDRM C#C[C@@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000812352916 1318373765 /nfs/dbraw/zinc/37/37/65/1318373765.db2.gz YBZMEVFYVXGGQF-OAHLLOKOSA-N -1 0 330.727 3.058 20 30 EGEDRM Cn1ncc2ccc(C/N=C\c3cc(Cl)cc([N+](=O)[O-])c3[O-])cc21 ZINC000812445128 1318394513 /nfs/dbraw/zinc/39/45/13/1318394513.db2.gz RNVKZRRTIIROKA-LSCVHKIXSA-N -1 0 344.758 3.460 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)N[C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000909183378 1318445330 /nfs/dbraw/zinc/44/53/30/1318445330.db2.gz QSCORSDNTANKGY-MRXNPFEDSA-N -1 0 332.375 3.044 20 30 EGEDRM C=CCC[C@H](NC(=O)c1c(CC)onc1-c1ccccc1)C(=O)[O-] ZINC000909715162 1318518830 /nfs/dbraw/zinc/51/88/30/1318518830.db2.gz JWGVCJDIXRXNCX-ZDUSSCGKSA-N -1 0 328.368 3.053 20 30 EGEDRM CC(=NNC(=S)NC1CCCCC1)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C ZINC000814715541 1318803182 /nfs/dbraw/zinc/80/31/82/1318803182.db2.gz ATZBMKZZFUXSET-OCCSQVGLSA-N -1 0 339.505 3.296 20 30 EGEDRM Cc1ccc(NC(=S)NN=C2CC[C@@H](C(=O)[O-])[C@@H](C)C2)cc1C ZINC000814713554 1318803215 /nfs/dbraw/zinc/80/32/15/1318803215.db2.gz QZAZTIVGYHRWRW-SWLSCSKDSA-N -1 0 333.457 3.467 20 30 EGEDRM C[C@H]1CC(N=Nc2ncnc3sc4c(c32)CCC4)CC[C@@H]1C(=O)[O-] ZINC000814725791 1318805554 /nfs/dbraw/zinc/80/55/54/1318805554.db2.gz CLIZFHJMPDWRKL-ONGXEEELSA-N -1 0 344.440 3.469 20 30 EGEDRM CC(C)CCNC(=S)NN=C1CC[C@H](C(=O)[O-])C(C)(C)[C@@H]1C ZINC000814758755 1318811207 /nfs/dbraw/zinc/81/12/07/1318811207.db2.gz GUJOQRATXUQBEY-VXGBXAGGSA-N -1 0 327.494 3.010 20 30 EGEDRM CC(CCc1ccc(OCC(=O)[O-])cc1)N=Nc1ccc(C#N)cc1 ZINC000814803022 1318821922 /nfs/dbraw/zinc/82/19/22/1318821922.db2.gz GQIGARXATKYRJT-UHFFFAOYSA-N -1 0 337.379 3.442 20 30 EGEDRM O=C([O-])C1(c2ccccc2)CC(N=Nc2cnc3ccccc3n2)C1 ZINC000814830758 1318826690 /nfs/dbraw/zinc/82/66/90/1318826690.db2.gz SDRIYUOQKOAYKU-UHFFFAOYSA-N -1 0 332.363 3.214 20 30 EGEDRM C[C@@H]1C(N=Nc2ccc(Br)nc2)CC[C@H]1CC(=O)[O-] ZINC000814847198 1318829363 /nfs/dbraw/zinc/82/93/63/1318829363.db2.gz DFYUTXFVGIHAML-IUCAKERBSA-N -1 0 326.194 3.133 20 30 EGEDRM C[C@@H]1C(=NNc2nc(=O)c3ccccc3[nH]2)CC[C@@H](C(=O)[O-])C1(C)C ZINC000814868858 1318834154 /nfs/dbraw/zinc/83/41/54/1318834154.db2.gz LIBONQQADJRVER-PWSUYJOCSA-N -1 0 342.399 3.260 20 30 EGEDRM O=C([O-])CCOc1ccc(C=NNc2ccc(F)c(F)c2F)cc1 ZINC000814946604 1318857856 /nfs/dbraw/zinc/85/78/56/1318857856.db2.gz SEXJOHZIDFSGHH-UHFFFAOYSA-N -1 0 338.285 3.403 20 30 EGEDRM N#C[C@@H]([N-]C(=O)[C@@H](F)C(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC000815544310 1319012883 /nfs/dbraw/zinc/01/28/83/1319012883.db2.gz QKLAROBKAGGKKO-RKDXNWHRSA-N -1 0 328.187 3.287 20 30 EGEDRM Cc1cc(C)nc([N-]N=C2c3ccc(Cl)c(Cl)c3NC2=O)n1 ZINC000914690153 1319364723 /nfs/dbraw/zinc/36/47/23/1319364723.db2.gz LEWRIABMVSCDTM-UHFFFAOYSA-N -1 0 336.182 3.169 20 30 EGEDRM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)c3cncs3)c2)c1 ZINC000914728561 1319370642 /nfs/dbraw/zinc/37/06/42/1319370642.db2.gz IJJHZUZCGUGMFG-UHFFFAOYSA-N -1 0 348.383 3.493 20 30 EGEDRM Cc1ccc(C)c(NC(=S)NN=Cc2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000915912050 1319560347 /nfs/dbraw/zinc/56/03/47/1319560347.db2.gz HSSQVXLGKFOEAH-UHFFFAOYSA-N -1 0 344.396 3.238 20 30 EGEDRM Cc1cccc(C)c1NC(=S)NN=Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000915912083 1319560563 /nfs/dbraw/zinc/56/05/63/1319560563.db2.gz OQGNTGIXPTVFKE-UHFFFAOYSA-N -1 0 344.396 3.238 20 30 EGEDRM COc1ccc(C(=O)/C=C\c2cc(F)ccc2F)cc1CC(=O)[O-] ZINC000915985089 1319579687 /nfs/dbraw/zinc/57/96/87/1319579687.db2.gz IESKSRMLNLGNLI-KXFIGUGUSA-N -1 0 332.302 3.497 20 30 EGEDRM C=CCOc1ccc(C=NNc2ccc(C(=O)[O-])cc2)cc1OC ZINC000916240312 1319623060 /nfs/dbraw/zinc/62/30/60/1319623060.db2.gz DGVBQPUBHXSTDL-UHFFFAOYSA-N -1 0 326.352 3.404 20 30 EGEDRM Cc1cc(CN=Nc2ccc(C(=O)[O-])cc2)c(C)n1C[C@H]1CCCO1 ZINC000916240868 1319623415 /nfs/dbraw/zinc/62/34/15/1319623415.db2.gz RYONPAFFPFLRFG-GOSISDBHSA-N -1 0 341.411 3.428 20 30 EGEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)CC1CCCC1 ZINC000917507395 1319823641 /nfs/dbraw/zinc/82/36/41/1319823641.db2.gz WDNMWYBUBSSUCM-CQSZACIVSA-N -1 0 344.411 3.280 20 30 EGEDRM CCc1cc(C#N)c([N-]S(=O)(=O)c2ccc(Cl)nc2C)s1 ZINC000820799468 1319955772 /nfs/dbraw/zinc/95/57/72/1319955772.db2.gz RGHOVFLIEPOGNU-UHFFFAOYSA-N -1 0 341.845 3.340 20 30 EGEDRM O=C(/C=C/c1ccc([N+](=O)[O-])c([O-])c1)c1ccc([N+](=O)[O-])cc1F ZINC000821007056 1319992514 /nfs/dbraw/zinc/99/25/14/1319992514.db2.gz AXEZBDPFXMFMIZ-QHHAFSJGSA-N -1 0 332.243 3.244 20 30 EGEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)[C@H](C)C1CCC1 ZINC000838790054 1320817565 /nfs/dbraw/zinc/81/75/65/1320817565.db2.gz CUOIMGGEJXDSAH-YGRLFVJLSA-N -1 0 344.411 3.136 20 30 EGEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N/Cc2nnc(C3CC3)s2)c1[O-] ZINC000840712050 1321132052 /nfs/dbraw/zinc/13/20/52/1321132052.db2.gz FOGIGWIWLLITLK-PJQLUOCWSA-N -1 0 338.776 3.302 20 30 EGEDRM C#CCCCS(=O)(=O)[N-]c1nc(-c2ccc(F)cc2)c(C)s1 ZINC000840945849 1321182348 /nfs/dbraw/zinc/18/23/48/1321182348.db2.gz CWAXXVNGJHEPQL-UHFFFAOYSA-N -1 0 338.429 3.413 20 30 EGEDRM CC1=C(C)C[C@H](C(=O)[N-]S(=O)(=O)CC2(C#N)CCCCC2)CC1 ZINC000842759047 1321428450 /nfs/dbraw/zinc/42/84/50/1321428450.db2.gz RCUIVPMFOJROAP-OAHLLOKOSA-N -1 0 338.473 3.043 20 30 EGEDRM CC(C)c1[nH]ccc1C([O-])=C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000845526400 1321716681 /nfs/dbraw/zinc/71/66/81/1321716681.db2.gz HBJXIMGRWLUULV-OAHLLOKOSA-N -1 0 343.814 3.430 20 30 EGEDRM C=C(C)CO[N-]C(=O)[C@H]1CN(C(=O)OC(C)(C)C)Cc2ccccc21 ZINC000846531859 1321791218 /nfs/dbraw/zinc/79/12/18/1321791218.db2.gz HVLSLJSUGGCIGE-INIZCTEOSA-N -1 0 346.427 3.145 20 30 EGEDRM C=C(C)CO[N-]C(=O)CSc1nncn1-c1ccc(C(C)C)cc1 ZINC000846537353 1321791628 /nfs/dbraw/zinc/79/16/28/1321791628.db2.gz ILXVVRWCGLHCLY-UHFFFAOYSA-N -1 0 346.456 3.107 20 30 EGEDRM CC[C@@H](C)c1nc(C)c(CC(=O)Nc2cc(C#N)ccc2[O-])c(C)n1 ZINC000847616869 1321884706 /nfs/dbraw/zinc/88/47/06/1321884706.db2.gz UCXTYCMFLIIRND-LLVKDONJSA-N -1 0 338.411 3.365 20 30 EGEDRM CC1(C)Cc2cccc(C([O-])=C(C#N)C(=O)NCc3ccccc3)c2O1 ZINC000847624932 1321885565 /nfs/dbraw/zinc/88/55/65/1321885565.db2.gz ZASBCDLZNCXDIO-QGZVFWFLSA-N -1 0 348.402 3.039 20 30 EGEDRM COc1ccc2c(c1)C(=NNc1ccc(CC(=O)[O-])cc1)CCCO2 ZINC000848415950 1321958315 /nfs/dbraw/zinc/95/83/15/1321958315.db2.gz UCOCWMMTCLQEKG-UHFFFAOYSA-N -1 0 340.379 3.311 20 30 EGEDRM COc1ccc(C(=O)/C=C/c2ccc(O[C@@H]3CCOC3)cc2)c([O-])c1 ZINC000849247252 1322101569 /nfs/dbraw/zinc/10/15/69/1322101569.db2.gz RBQANAAWMCHJAZ-MDGVGCGJSA-N -1 0 340.375 3.465 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2ccc(C3CC3)cc2)n1 ZINC000850036969 1322187601 /nfs/dbraw/zinc/18/76/01/1322187601.db2.gz XDIHCXDQNREKKL-HNNXBMFYSA-N -1 0 340.404 3.362 20 30 EGEDRM COc1cc(N=Cc2cc([N+](=O)[O-])ccc2[O-])cc(OC)c1OC ZINC000920945715 1322238488 /nfs/dbraw/zinc/23/84/88/1322238488.db2.gz BHYYDOPQNVJSMV-UHFFFAOYSA-N -1 0 332.312 3.077 20 30 EGEDRM CC(C)Oc1cccc(C=Nn2c(=O)c3ccccc3[n-]c2=S)c1 ZINC000921259089 1322282479 /nfs/dbraw/zinc/28/24/79/1322282479.db2.gz WAGOMXGLKWMPCK-UHFFFAOYSA-N -1 0 339.420 3.355 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@H]2CCC[C@@H]2Cc2ccccc2)CC1 ZINC000851031302 1322326454 /nfs/dbraw/zinc/32/64/54/1322326454.db2.gz BBUDXERNCCEQES-SJORKVTESA-N -1 0 347.480 3.200 20 30 EGEDRM CC[C@](C)(C#N)C(=O)N1CCC([C@H](CC(=O)[O-])c2ccccc2)CC1 ZINC000923090840 1322689373 /nfs/dbraw/zinc/68/93/73/1322689373.db2.gz SKXLRKYOJCTWBV-YLJYHZDGSA-N -1 0 342.439 3.423 20 30 EGEDRM CCCn1nccc1/C=C/C(=O)c1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000853005818 1323259572 /nfs/dbraw/zinc/25/95/72/1323259572.db2.gz VULFUTRYLYAQFT-SBDDDAINSA-N -1 0 328.368 3.041 20 30 EGEDRM CCC(C#N)(CC)C(=O)[N-]OCc1ccc(F)cc1Br ZINC000861183894 1329395572 /nfs/dbraw/zinc/39/55/72/1329395572.db2.gz VPLSANSKKOFUQA-UHFFFAOYSA-N -1 0 343.196 3.466 20 30 EGEDRM C=CCC[C@@H](NC(=O)N(C)[C@H](COC(C)C)C(=O)[O-])c1ccccc1 ZINC000929042467 1328495475 /nfs/dbraw/zinc/49/54/75/1328495475.db2.gz FLPRWXGNMBGNFN-IAGOWNOFSA-N -1 0 348.443 3.214 20 30 EGEDRM COc1ccsc1S(=O)(=O)[N-]c1sc(C)c(C)c1C#N ZINC000863948190 1329590970 /nfs/dbraw/zinc/59/09/70/1329590970.db2.gz TVKCGKZVADNYGD-UHFFFAOYSA-N -1 0 328.440 3.108 20 30 EGEDRM C=C(Cl)C[C@H](NCc1ccc(CSC(F)F)o1)C(=O)[O-] ZINC000864518859 1329621576 /nfs/dbraw/zinc/62/15/76/1329621576.db2.gz WLCRCUCBPGKFKB-JTQLQIEISA-N -1 0 325.764 3.421 20 30 EGEDRM N#Cc1cc(NC(=O)Cc2cc3cccnc3cc2F)c([O-])cc1F ZINC001183851404 1387359524 /nfs/dbraw/zinc/35/95/24/1387359524.db2.gz FKCWCANAWFTDFS-UHFFFAOYSA-N -1 0 339.301 3.271 20 30 EGEDRM N#C[C@H]1CCCN(C(=O)CCC(=O)C=C([O-])c2ccc(Cl)cc2)C1 ZINC001184120774 1387395885 /nfs/dbraw/zinc/39/58/85/1387395885.db2.gz VAMNXIZAJCBNMU-CYBMUJFWSA-N -1 0 346.814 3.024 20 30 EGEDRM Cc1ccnc(C#N)c1[N-]S(=O)(=O)c1cc2ccccc2s1 ZINC001185432905 1387715660 /nfs/dbraw/zinc/71/56/60/1387715660.db2.gz IJLPJHWDSANLKB-UHFFFAOYSA-N -1 0 329.406 3.277 20 30 EGEDRM CC(N=Nc1ccc(C(C)(C)C)nn1)c1ccc(C(=O)[O-])c(F)c1 ZINC001324943964 1387839206 /nfs/dbraw/zinc/83/92/06/1387839206.db2.gz AJODBHWFEYCGRG-UHFFFAOYSA-N -1 0 330.363 3.448 20 30 EGEDRM Cc1noc(NC(=O)c2cc(Br)ccc2[S-])c1C#N ZINC001189951356 1367138519 /nfs/dbraw/zinc/13/85/19/1367138519.db2.gz NPGGPLRLLIGLBQ-UHFFFAOYSA-N -1 0 338.186 3.158 20 30 EGEDRM Cc1cc(C#N)cc([N-]S(=O)(=O)c2cc(F)cc(F)c2F)c1 ZINC001190395467 1367251566 /nfs/dbraw/zinc/25/15/66/1367251566.db2.gz PABRYPVBBMIXLN-UHFFFAOYSA-N -1 0 326.299 3.085 20 30 EGEDRM N#Cc1ncc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)cc1Cl ZINC001190472549 1367272529 /nfs/dbraw/zinc/27/25/29/1367272529.db2.gz UZBZHBXPTSKLEO-UHFFFAOYSA-N -1 0 333.800 3.285 20 30 EGEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)c1ccc(C2CC2)cc1 ZINC001190500016 1367278760 /nfs/dbraw/zinc/27/87/60/1367278760.db2.gz HQPKQHOMNYUOQK-UHFFFAOYSA-N -1 0 328.393 3.245 20 30 EGEDRM Cc1cc(CC(C)C)ncc1[N-]S(=O)(=O)c1cc(C#N)ccc1F ZINC001190619551 1367310116 /nfs/dbraw/zinc/31/01/16/1367310116.db2.gz SCJFJEHLLAFAHT-UHFFFAOYSA-N -1 0 347.415 3.400 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc3ccc(O)cc3c2)c1 ZINC001190647972 1367315570 /nfs/dbraw/zinc/31/55/70/1367315570.db2.gz OXCHBYXAGUJJDM-UHFFFAOYSA-N -1 0 342.351 3.357 20 30 EGEDRM C[C@@H](NS(=O)(=O)c1cc(C#N)ccc1F)c1cccc(F)c1F ZINC001190677951 1367326652 /nfs/dbraw/zinc/32/66/52/1367326652.db2.gz WRFJMMIADNNETL-SECBINFHSA-N -1 0 340.326 3.015 20 30 EGEDRM Cc1cccc(C#N)c1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC001190969674 1367391590 /nfs/dbraw/zinc/39/15/90/1367391590.db2.gz HRGUGMFQTXLBDM-UHFFFAOYSA-N -1 0 331.784 3.193 20 30 EGEDRM Cc1c(Cl)ccc(S(=O)(=O)[N-]c2cc(C#N)ccn2)c1Cl ZINC001191722660 1367570734 /nfs/dbraw/zinc/57/07/34/1367570734.db2.gz NLPUWTGHCQPASJ-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM Cc1cc(Cl)ncc1S(=O)(=O)[N-]c1c(Cl)cccc1C#N ZINC001192356127 1367761509 /nfs/dbraw/zinc/76/15/09/1367761509.db2.gz PHKPFMIZLXAYLL-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2cc(F)c(C#N)cc2C)cnc1Cl ZINC001192576126 1367822478 /nfs/dbraw/zinc/82/24/78/1367822478.db2.gz AMWOTWUGNBTEFE-UHFFFAOYSA-N -1 0 339.779 3.163 20 30 EGEDRM N#Cc1ncc(NC(=O)c2c([O-])ccc(F)c2F)cc1C(F)(F)F ZINC001192729005 1367862110 /nfs/dbraw/zinc/86/21/10/1367862110.db2.gz CUTMDNJUMBJMBI-UHFFFAOYSA-N -1 0 343.211 3.208 20 30 EGEDRM N#Cc1ccc(NC(=O)c2c([O-])ccc(F)c2F)c2cccnc12 ZINC001192770708 1367870566 /nfs/dbraw/zinc/87/05/66/1367870566.db2.gz ZLDXQPMMLJTZJR-UHFFFAOYSA-N -1 0 325.274 3.343 20 30 EGEDRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C)cc2C#N)c1 ZINC001192805327 1367878405 /nfs/dbraw/zinc/87/84/05/1367878405.db2.gz GNYXYTLJYPSPME-UHFFFAOYSA-N -1 0 330.409 3.239 20 30 EGEDRM CCC[C@H](C(=O)c1ccccc1)N(C)C(=O)c1ccc([O-])c(C#N)c1 ZINC001193506733 1368047445 /nfs/dbraw/zinc/04/74/45/1368047445.db2.gz WYPBYEZRTKZIRW-QGZVFWFLSA-N -1 0 336.391 3.387 20 30 EGEDRM N#Cc1c(NC(=O)c2cc(O)c([O-])c(Cl)c2)sc2c1CCC2 ZINC001193589163 1368067856 /nfs/dbraw/zinc/06/78/56/1368067856.db2.gz FMBDCJVIECGBLU-UHFFFAOYSA-N -1 0 334.784 3.425 20 30 EGEDRM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2cc(OC)ccc2C#N)on1 ZINC001193639660 1368081564 /nfs/dbraw/zinc/08/15/64/1368081564.db2.gz AHFWSUXXCDFYLB-NSHDSACASA-N -1 0 349.412 3.259 20 30 EGEDRM Cc1ccc(C)c([N-]S(=O)(=O)Cc2noc3ccccc23)c1C#N ZINC001194105128 1368183585 /nfs/dbraw/zinc/18/35/85/1368183585.db2.gz VJXNZIBORYTUDN-UHFFFAOYSA-N -1 0 341.392 3.258 20 30 EGEDRM COc1cc(C)c(S(=O)(=O)[N-]c2c(F)cccc2C#N)c(C)c1C ZINC001194864413 1368338015 /nfs/dbraw/zinc/33/80/15/1368338015.db2.gz MOSBGKKFIYYFIW-UHFFFAOYSA-N -1 0 348.399 3.432 20 30 EGEDRM N#CCN(Cc1ccccc1)C(=O)c1c([O-])c(F)c(F)c(F)c1F ZINC001195295824 1368415568 /nfs/dbraw/zinc/41/55/68/1368415568.db2.gz YJIQZNOSUJOHQW-UHFFFAOYSA-N -1 0 338.260 3.115 20 30 EGEDRM N#Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(Cl)cn1 ZINC001196245220 1368575454 /nfs/dbraw/zinc/57/54/54/1368575454.db2.gz MBMZHNWYKDJYBD-UHFFFAOYSA-N -1 0 328.180 3.061 20 30 EGEDRM N#Cc1cccc(-c2cc(O)cc(C(=O)N3CCCC[C@H]3C#N)c2)c1 ZINC001196316022 1368587137 /nfs/dbraw/zinc/58/71/37/1368587137.db2.gz NPQLEJYOXZWTDX-SFHVURJKSA-N -1 0 331.375 3.449 20 30 EGEDRM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2F)c(C#N)c1 ZINC001196384532 1368603315 /nfs/dbraw/zinc/60/33/15/1368603315.db2.gz PTGCOMFETKZUGZ-UHFFFAOYSA-N -1 0 332.356 3.009 20 30 EGEDRM N#Cc1cccc(-c2cc(C(=O)[N-]c3nnc(-c4ccco4)o3)no2)c1 ZINC001196759687 1368677643 /nfs/dbraw/zinc/67/76/43/1368677643.db2.gz MUBQEUHVICOJAX-UHFFFAOYSA-N -1 0 347.290 3.109 20 30 EGEDRM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2C#N)c(C)c1 ZINC001196877873 1368705036 /nfs/dbraw/zinc/70/50/36/1368705036.db2.gz ZKFKZWQOFJKJBB-UHFFFAOYSA-N -1 0 330.409 3.293 20 30 EGEDRM N#Cc1ccc(C2(NC(=S)Nc3ccc(C(=O)[O-])cc3)CC2)cc1 ZINC001197129857 1368750868 /nfs/dbraw/zinc/75/08/68/1368750868.db2.gz JPLWQDRZCGTOKR-UHFFFAOYSA-N -1 0 337.404 3.232 20 30 EGEDRM N#Cc1c(Cl)c(Cl)ccc1[N-]S(=O)(=O)Cc1cccnc1 ZINC001197465747 1368822074 /nfs/dbraw/zinc/82/20/74/1368822074.db2.gz XDQQQHNVDBYTTD-UHFFFAOYSA-N -1 0 342.207 3.202 20 30 EGEDRM CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2ccc3occc3c2)cn1 ZINC001198830664 1369124669 /nfs/dbraw/zinc/12/46/69/1369124669.db2.gz NCVQJWRBQBZKFW-UHFFFAOYSA-N -1 0 341.392 3.430 20 30 EGEDRM COc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C#N)c(C)c1 ZINC001198942069 1369153982 /nfs/dbraw/zinc/15/39/82/1369153982.db2.gz SEUQNYWSFIWQEV-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM Cc1noc(NC(=O)c2cnc(Cl)c(Cl)c2Cl)c1C#N ZINC001199330524 1369208449 /nfs/dbraw/zinc/20/84/49/1369208449.db2.gz HNURJYFPBJBBNE-UHFFFAOYSA-N -1 0 331.546 3.462 20 30 EGEDRM Cc1cccc(S(=O)(=O)[N-]c2c(F)ccc(F)c2C#N)c1F ZINC001200810601 1369432096 /nfs/dbraw/zinc/43/20/96/1369432096.db2.gz JZEAMIFKMRQSOX-UHFFFAOYSA-N -1 0 326.299 3.085 20 30 EGEDRM N#Cc1cccnc1[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1F ZINC001201246067 1369504086 /nfs/dbraw/zinc/50/40/86/1369504086.db2.gz DOPGSSUGLYVSKD-UHFFFAOYSA-N -1 0 346.170 3.200 20 30 EGEDRM Cc1nc(Cl)sc1S(=O)(=O)[N-]c1cc(C)ccc1C#N ZINC001201728621 1369611623 /nfs/dbraw/zinc/61/16/23/1369611623.db2.gz BSQKGFPAQLBWDW-UHFFFAOYSA-N -1 0 327.818 3.086 20 30 EGEDRM N#Cc1ncc(Nc2ccc3ccccc3c2S(=O)(=O)[O-])cc1F ZINC001203060933 1369970347 /nfs/dbraw/zinc/97/03/47/1369970347.db2.gz XDOIQIIWZBTLLV-UHFFFAOYSA-N -1 0 343.339 3.236 20 30 EGEDRM N#Cc1ccncc1[N-]S(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC001187036597 1388043873 /nfs/dbraw/zinc/04/38/73/1388043873.db2.gz TZUYHPFCHGHYCU-UHFFFAOYSA-N -1 0 342.207 3.202 20 30 EGEDRM [O-]C(c1ccc(NC2=CCOC2)c(F)c1)(C(F)(F)F)C(F)(F)F ZINC001203395737 1370110972 /nfs/dbraw/zinc/11/09/72/1370110972.db2.gz NNCVCQUQWLVTGU-UHFFFAOYSA-N -1 0 345.214 3.464 20 30 EGEDRM N#Cc1cccc(C#N)c1[N-]S(=O)(=O)c1cc2c(s1)CCCC2 ZINC001187207312 1388071637 /nfs/dbraw/zinc/07/16/37/1388071637.db2.gz YFIYJXTWEBHQKX-UHFFFAOYSA-N -1 0 343.433 3.171 20 30 EGEDRM C=C1CCN(C(=O)OC(C)(C)C)C[C@@H]1OCc1ccc(C(=O)[O-])cc1 ZINC001205681051 1370841536 /nfs/dbraw/zinc/84/15/36/1370841536.db2.gz PWJFILVYGYPJQS-INIZCTEOSA-N -1 0 347.411 3.467 20 30 EGEDRM C=CCCO[N-]C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1 ZINC001118732374 1371218128 /nfs/dbraw/zinc/21/81/28/1371218128.db2.gz BRKYQAVAECPKTL-AWEZNQCLSA-N -1 0 326.437 3.084 20 30 EGEDRM C=CC[C@@H](NC(=O)N[C@@H]1CCSc2ccc(Cl)cc21)C(=O)[O-] ZINC001119715645 1371392611 /nfs/dbraw/zinc/39/26/11/1371392611.db2.gz YPTVVMHIIDFIMC-VXGBXAGGSA-N -1 0 340.832 3.205 20 30 EGEDRM C=CCCCCCN(C)c1nnc(-c2c[n-]n(CC)c2=O)n1CC ZINC001121891967 1372116209 /nfs/dbraw/zinc/11/62/09/1372116209.db2.gz AVNKIRNYPIWBQP-UHFFFAOYSA-N -1 0 332.452 3.070 20 30 EGEDRM N#CC(=C([O-])c1cnc(C2CC2)s1)c1nc(N)c2ccccc2n1 ZINC001122493949 1372260149 /nfs/dbraw/zinc/26/01/49/1372260149.db2.gz YKZDVMSRWVGFLN-LLVKDONJSA-N -1 0 335.392 3.036 20 30 EGEDRM COC(=O)c1sc(Nc2cc(C(=O)[O-])ccc2OC)c(C#N)c1C ZINC001210252932 1372305927 /nfs/dbraw/zinc/30/59/27/1372305927.db2.gz VNUSJXCIYWCPPP-UHFFFAOYSA-N -1 0 346.364 3.165 20 30 EGEDRM N#Cc1cc(Nc2ccc3ccccc3c2S(=O)(=O)[O-])ccc1O ZINC001210533036 1372373319 /nfs/dbraw/zinc/37/33/19/1372373319.db2.gz RZNGTPGPLOAIOP-UHFFFAOYSA-N -1 0 340.360 3.407 20 30 EGEDRM Cc1ccccc1-c1cc(C(=O)Nc2cc(C#N)c(F)cc2[O-])n[nH]1 ZINC001187978534 1388204068 /nfs/dbraw/zinc/20/40/68/1388204068.db2.gz UQFLMTOGJNTPMF-UHFFFAOYSA-N -1 0 336.326 3.354 20 30 EGEDRM COc1cc(Nc2c(C#N)cnnc2-c2ccccc2)cc(C(=O)[O-])c1 ZINC001213589158 1372930503 /nfs/dbraw/zinc/93/05/03/1372930503.db2.gz RFTFTBKZSRQZBV-UHFFFAOYSA-N -1 0 346.346 3.466 20 30 EGEDRM CCOC(=O)c1ccc(Nc2cc(C#N)c(F)cc2[O-])c(OC)c1 ZINC001214546302 1373077586 /nfs/dbraw/zinc/07/75/86/1373077586.db2.gz LSIVQBPWDULJAC-UHFFFAOYSA-N -1 0 330.315 3.332 20 30 EGEDRM N#Cc1cc(Br)c(Cl)cc1[N-]S(=O)(=O)C1CCC1 ZINC001188144837 1388249536 /nfs/dbraw/zinc/24/95/36/1388249536.db2.gz SMXHFNSUOWUZLR-UHFFFAOYSA-N -1 0 349.637 3.268 20 30 EGEDRM N#Cc1ccc(-c2noc(-c3cccc(C(F)(F)F)c3[O-])n2)nc1 ZINC001216926734 1373365570 /nfs/dbraw/zinc/36/55/70/1373365570.db2.gz CMXDMZZDYPOIMO-UHFFFAOYSA-N -1 0 332.241 3.395 20 30 EGEDRM N#Cc1cccc(-c2nc(-c3cnccc3C(F)(F)F)no2)c1[O-] ZINC001216979509 1373374506 /nfs/dbraw/zinc/37/45/06/1373374506.db2.gz ARZOOARBLIKVBG-UHFFFAOYSA-N -1 0 332.241 3.395 20 30 EGEDRM N#Cc1cccc(-c2nc(-c3ccc(C4OCCO4)cc3)no2)c1[O-] ZINC001216979771 1373374801 /nfs/dbraw/zinc/37/48/01/1373374801.db2.gz JBTVMUIEOCTOMX-UHFFFAOYSA-N -1 0 335.319 3.026 20 30 EGEDRM N#Cc1ccc(-c2nc(-c3cccc(C4OCCO4)c3)no2)c([O-])c1 ZINC001217038514 1373381346 /nfs/dbraw/zinc/38/13/46/1373381346.db2.gz BBABGZULUKYDDB-UHFFFAOYSA-N -1 0 335.319 3.026 20 30 EGEDRM C=CC[C@@H](C)Oc1c([O-])c(C(=O)OCC)sc1C(=O)OCC ZINC001227494278 1375437818 /nfs/dbraw/zinc/43/78/18/1375437818.db2.gz VUPHOZZLARCPNX-SECBINFHSA-N -1 0 328.386 3.151 20 30 EGEDRM C#C[C@H]1CCC[C@H]1Oc1[n-]c(=O)nc2nc3cc(C)c(C)cc3nc21 ZINC001228685432 1375639772 /nfs/dbraw/zinc/63/97/72/1375639772.db2.gz GYYWPSNWHBETEV-SWLSCSKDSA-N -1 0 334.379 3.076 20 30 EGEDRM C#CC(C#C)Oc1ccc(/C=C/C(=O)c2ccccc2[O-])cc1OC ZINC001229411533 1375830273 /nfs/dbraw/zinc/83/02/73/1375830273.db2.gz ROSCPLOYCMCIIF-ZRDIBKRKSA-N -1 0 332.355 3.311 20 30 EGEDRM C#C[C@H](C)OC1=CC(=O)C=CC1=NNc1ccc(S(=O)(=O)[O-])cc1 ZINC001229414977 1375830420 /nfs/dbraw/zinc/83/04/20/1375830420.db2.gz VQWQMDORUXSUOU-SHYALIGYSA-N -1 0 346.364 3.455 20 30 EGEDRM C=C1O[C@@H](CC)C(=O)C1Oc1[n-]c(=O)nc2c3ccccc3oc21 ZINC001230664473 1376120534 /nfs/dbraw/zinc/12/05/34/1376120534.db2.gz REKFKULXYXKWGY-JTQLQIEISA-N -1 0 326.308 3.070 20 30 EGEDRM N#Cc1c2ccccc2sc1NC(=O)c1c[n-]c2cccnc2c1=O ZINC001153851885 1380144544 /nfs/dbraw/zinc/14/45/44/1380144544.db2.gz SBSWFLGVRZKAMV-UHFFFAOYSA-N -1 0 346.371 3.262 20 30 EGEDRM C[C@@H](C#N)c1ccc(NC(=O)c2cc(=O)c3cc(C#N)ccc3[n-]2)cc1 ZINC001154556164 1380304810 /nfs/dbraw/zinc/30/48/10/1380304810.db2.gz OONFOYREKNTNNS-LBPRGKRZSA-N -1 0 342.358 3.279 20 30 EGEDRM [O-]/N=C/c1cc(NCCOc2cccnc2)cc(C(F)(F)F)c1 ZINC001168620193 1383950750 /nfs/dbraw/zinc/95/07/50/1383950750.db2.gz CPPQKULQUVBXGJ-ZVBGSRNCSA-N -1 0 325.290 3.399 20 30 EGEDRM CCOC(=O)[C@H](C#N)[N-]c1c(F)c(F)c(C(F)(F)F)c(F)c1F ZINC001170368442 1384301993 /nfs/dbraw/zinc/30/19/93/1384301993.db2.gz FZELQRDOHJTYJK-BYPYZUCNSA-N -1 0 344.186 3.129 20 30 EGEDRM CNC(=O)c1cc(C#N)cc(C)c1Nc1c(F)cc(F)c([O-])c1F ZINC001176670588 1385653637 /nfs/dbraw/zinc/65/36/37/1385653637.db2.gz HDOFWKZSCKOHFA-UHFFFAOYSA-N -1 0 335.285 3.093 20 30 EGEDRM CCCc1nc(C)c([N-]S(=O)(=O)c2ccc(CC#N)cc2)s1 ZINC001320739227 1386705419 /nfs/dbraw/zinc/70/54/19/1386705419.db2.gz BTPIGCMEOKPAOM-UHFFFAOYSA-N -1 0 335.454 3.271 20 30 EGEDRM C=CC[C@@H](NC(=O)Nc1ccc(OC2CCCC2)c(F)c1)C(=O)[O-] ZINC001321149405 1386822689 /nfs/dbraw/zinc/82/26/89/1386822689.db2.gz NVFZHNJXUIEHKB-CQSZACIVSA-N -1 0 336.363 3.298 20 30 EGEDRM CCOC(=O)COc1ccc(/C=C/C(=O)c2ccc(F)cc2[O-])cc1 ZINC001322495866 1387195719 /nfs/dbraw/zinc/19/57/19/1387195719.db2.gz TYWBCSYYHVWKFD-BJMVGYQFSA-N -1 0 344.338 3.369 20 30 EGEDRM CC(C)(C)c1ccc(C(=O)[N-]S(=O)(=O)c2ccccc2C#N)s1 ZINC001322604141 1387212538 /nfs/dbraw/zinc/21/25/38/1387212538.db2.gz HZOBZRBQQXGHNE-UHFFFAOYSA-N -1 0 348.449 3.036 20 30 EGEDRM C=CCn1c(-c2c[nH]oc2=O)nnc1N1CCC[C@H]1c1ccsc1 ZINC001339014959 1389859160 /nfs/dbraw/zinc/85/91/60/1389859160.db2.gz OBSNFRNFEUQTRT-ZDUSSCGKSA-N -1 0 343.412 3.228 20 30 EGEDRM Cc1nn(C)c([N-]S(=O)(=O)c2cc(C(C)(C)C)ccc2C)c1C#N ZINC001333162357 1390258104 /nfs/dbraw/zinc/25/81/04/1390258104.db2.gz ANHCEDLEVKDCAR-UHFFFAOYSA-N -1 0 346.456 3.007 20 30 EGEDRM Cc1nc(C(C)C)ncc1C([O-])=C(C#N)c1cnc2ccccc2n1 ZINC001345840008 1390888372 /nfs/dbraw/zinc/88/83/72/1390888372.db2.gz WQQOODPWACZTNO-ZDUSSCGKSA-N -1 0 331.379 3.342 20 30 EGEDRM C=CC[C@H](NC(=O)c1cnn(-c2ccccc2C)c1C(C)C)C(=O)[O-] ZINC001347049046 1390996019 /nfs/dbraw/zinc/99/60/19/1390996019.db2.gz MTMAITUHKPGCEB-HNNXBMFYSA-N -1 0 341.411 3.063 20 30 EGEDRM CCn1ccnc1C(C#N)=C([O-])c1ncc(C(F)(F)F)cc1Cl ZINC001349702773 1391356095 /nfs/dbraw/zinc/35/60/95/1391356095.db2.gz SNCYJMAVOIEBON-SECBINFHSA-N -1 0 342.708 3.460 20 30 EGEDRM C=CC[C@@H](NC(=O)Nc1cccc(COC(C)(C)C)c1C)C(=O)[O-] ZINC001352156336 1391766178 /nfs/dbraw/zinc/76/61/78/1391766178.db2.gz OKQPTDCMFFRYAR-OAHLLOKOSA-N -1 0 334.416 3.461 20 30 EGEDRM COc1ccc(C=C2CCc3ccccc3C2=O)cc1-c1nn[n-]n1 ZINC000737081504 1426572150 /nfs/dbraw/zinc/57/21/50/1426572150.db2.gz FGFYCPONFZPKMV-GXDHUFHOSA-N -1 0 332.363 3.088 20 30 EGEDRM N#Cc1cc(COc2ccc(-c3nn[n-]n3)cc2Cl)ccc1F ZINC000822819545 1428712537 /nfs/dbraw/zinc/71/25/37/1428712537.db2.gz VHDMLJNPYZKXNS-UHFFFAOYSA-N -1 0 329.722 3.110 20 30 EGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C=C1CC[C@@H](C)C1 ZINC000819743851 1428755275 /nfs/dbraw/zinc/75/52/75/1428755275.db2.gz RBESHKDCKHEEKG-QAALXFNPSA-N -1 0 337.427 3.128 20 30 EGEDRM CCC(=CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736302396 1429501505 /nfs/dbraw/zinc/50/15/05/1429501505.db2.gz DWSSZGKHRATVCN-JLHYYAGUSA-N -1 0 344.378 3.170 20 30 EGEDRM CCOc1ccc(-c2nn[n-]n2)cc1N[C@@H](C#N)C1CCCCC1 ZINC000736634973 1425816667 /nfs/dbraw/zinc/81/66/67/1425816667.db2.gz NYIXXMASPZSIRR-HNNXBMFYSA-N -1 0 326.404 3.150 20 30 EGEDRM C=CCCCN(C)c1c(-c2nn[n-]n2)cnc2c(F)ccc(F)c21 ZINC000819740066 1426303895 /nfs/dbraw/zinc/30/38/95/1426303895.db2.gz NHRJOSBQEJFISU-UHFFFAOYSA-N -1 0 330.342 3.096 20 30 EGEDRM C=CCCOCCCCC(=O)Nc1sc(CC)cc1-c1nn[n-]n1 ZINC000823899168 1426572745 /nfs/dbraw/zinc/57/27/45/1426572745.db2.gz OECSMUODBSZPRB-UHFFFAOYSA-N -1 0 349.460 3.192 20 30 EGEDRM Cc1ccc(N(CCC#N)C(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000826289861 1426993911 /nfs/dbraw/zinc/99/39/11/1426993911.db2.gz PRNBAONUXUOXFM-UHFFFAOYSA-N -1 0 346.394 3.044 20 30 EGEDRM CCc1ccc(C(C)N=Nc2oc(CC(C)C)nc2-c2nn[n-]n2)o1 ZINC000821476103 1427334772 /nfs/dbraw/zinc/33/47/72/1427334772.db2.gz HRZVLMPRKFBPEQ-UHFFFAOYSA-N -1 0 343.391 3.045 20 30 EGEDRM N#Cc1cccc(COc2cc(Cl)ccc2-c2nn[n-]n2)c1F ZINC000826386419 1428155817 /nfs/dbraw/zinc/15/58/17/1428155817.db2.gz CUPOFDCPBOJOEF-UHFFFAOYSA-N -1 0 329.722 3.110 20 30 EGEDRM C=CCCO[C@H](C)C(=O)Nc1cc(C(C)(C)C)sc1-c1nn[n-]n1 ZINC000823898774 1430131768 /nfs/dbraw/zinc/13/17/68/1430131768.db2.gz ANUULLZSPVVNJS-SNVBAGLBSA-N -1 0 349.460 3.145 20 30 EGEDRM N#Cc1cc(F)ccc1CSCc1cc(-c2nn[n-]n2)ccc1F ZINC000737705946 1441423141 /nfs/dbraw/zinc/42/31/41/1441423141.db2.gz SFHNEOUUTOLXPM-UHFFFAOYSA-N -1 0 343.362 3.450 20 30 EGEDRM CC(C)Oc1ccc(NCc2cc(-c3nn[n-]n3)cs2)cc1C#N ZINC000824329855 1441611385 /nfs/dbraw/zinc/61/13/85/1441611385.db2.gz XGOOMSJRXNPLAD-UHFFFAOYSA-N -1 0 340.412 3.199 20 30 EGEDRM C[C@@H](Nc1c(F)cc(C#N)cc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000820450180 1441625251 /nfs/dbraw/zinc/62/52/51/1441625251.db2.gz HVXMFPHNCHCMDV-SECBINFHSA-N -1 0 326.310 3.190 20 30 EGEDRM C=C(C)COc1cccc(NC(=O)c2sccc2-c2nnn[n-]2)c1 ZINC000735402028 1443625199 /nfs/dbraw/zinc/62/51/99/1443625199.db2.gz FMYFTDBKUAJRCO-UHFFFAOYSA-N -1 0 341.396 3.135 20 30 EGEDRM COc1ccc(C=CC(=O)c2cccc(C)c2C)cc1-c1nn[n-]n1 ZINC000737081613 1446190140 /nfs/dbraw/zinc/19/01/40/1446190140.db2.gz PTVAJGOKRHKXGJ-CLFYSBASSA-N -1 0 334.379 3.388 20 30 EGEDRM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC2CCC[C@H]2C(C)C)o1 ZINC000824280607 1447109702 /nfs/dbraw/zinc/10/97/02/1447109702.db2.gz QJFZTSNOVPFTLL-NSHDSACASA-N -1 0 331.424 3.277 20 30 EGEDRM C=CCCCNC(=O)N[C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000909123296 939383051 /nfs/dbraw/zinc/38/30/51/939383051.db2.gz QGLLBIUVCKTWFY-GFCCVEGCSA-N -1 0 330.306 3.097 20 30 EGEDRM C=CCCO[C@H](C)C(=O)N[C@H](C(=O)[O-])c1cccc2ccccc21 ZINC000910939388 939762836 /nfs/dbraw/zinc/76/28/36/939762836.db2.gz ZDQKJQLGHZZYQV-DYVFJYSZSA-N -1 0 327.380 3.063 20 30 EGEDRM Cc1cc(C)c(NC(=O)[C@@](C)(C#N)CC(=O)[O-])cc1Br ZINC001611136934 970907766 /nfs/dbraw/zinc/90/77/66/970907766.db2.gz NKPHKYSADDKGCM-CQSZACIVSA-N -1 0 339.189 3.009 20 30 EGEDRM N#Cc1cc(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)ccc1Cl ZINC001601086081 970929641 /nfs/dbraw/zinc/92/96/41/970929641.db2.gz WHWKMYBELUWRLL-LKTVYLICSA-N -1 0 332.787 3.070 20 30 EGEDRM C=CCN(Cc1ccccc1F)C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001602722773 971388958 /nfs/dbraw/zinc/38/89/58/971388958.db2.gz NPWATSOMIDYWMW-CSKARUKUSA-N -1 0 329.327 3.345 20 30 EGEDRM N#CCCCOc1cccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])c1 ZINC000328426025 971472339 /nfs/dbraw/zinc/47/23/39/971472339.db2.gz GJXKZVQSLIVGSG-JKSUJKDBSA-N -1 0 330.384 3.199 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC(C)(C)[C@@H](c2ccccc2)C1 ZINC001602778209 971510455 /nfs/dbraw/zinc/51/04/55/971510455.db2.gz CZQAGBTWERZSKK-DNVCBOLYSA-N -1 0 328.412 3.033 20 30 EGEDRM C[C@H](C#N)CSc1ccccc1NC(=O)C1(C(=O)[O-])CC=CC1 ZINC001602786465 971535202 /nfs/dbraw/zinc/53/52/02/971535202.db2.gz SNWLHZYWYPKOQG-GFCCVEGCSA-N -1 0 330.409 3.298 20 30 EGEDRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)Nc2cc(C#N)c(F)cc2C)C1 ZINC001589597332 949169292 /nfs/dbraw/zinc/16/92/92/949169292.db2.gz IALXMTVAFJRRDN-QGZVFWFLSA-N -1 0 333.363 3.115 20 30 EGEDRM CCCC[C@H](ON=C(C)C)C(=O)NC1(CC(=O)[O-])CCCCC1 ZINC001589639962 949677512 /nfs/dbraw/zinc/67/75/12/949677512.db2.gz QRGWSMLWHJOADD-AWEZNQCLSA-N -1 0 326.437 3.251 20 30 EGEDRM CCCN(CC(=O)[O-])C(=O)c1ccccc1Oc1ccccc1C#N ZINC001589665308 949883650 /nfs/dbraw/zinc/88/36/50/949883650.db2.gz CHZKTHCOKZSGTE-UHFFFAOYSA-N -1 0 338.363 3.287 20 30 EGEDRM C[C@H](C(=O)[O-])N(C(=O)c1cn(CCCC#N)c2ccccc12)C1CC1 ZINC001602819699 971620675 /nfs/dbraw/zinc/62/06/75/971620675.db2.gz FAUUSWQGVJKZAN-CYBMUJFWSA-N -1 0 339.395 3.023 20 30 EGEDRM C=C(C)[C@@H](NC(=O)N1CCC[C@@H](C(=O)[O-])C1)c1ccc(F)c(F)c1 ZINC000263376017 950418592 /nfs/dbraw/zinc/41/85/92/950418592.db2.gz OETAEBVBNYIEDS-IUODEOHRSA-N -1 0 338.354 3.088 20 30 EGEDRM C[C@H]1CN(C(=O)c2c(Cl)cc(C#N)cc2Cl)CC[C@@H]1C(=O)[O-] ZINC001589381788 954282138 /nfs/dbraw/zinc/28/21/38/954282138.db2.gz CGOKCAYTIBRAIJ-WPRPVWTQSA-N -1 0 341.194 3.048 20 30 EGEDRM C#CCN(C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1)C1CCCCC1 ZINC000846129595 955693885 /nfs/dbraw/zinc/69/38/85/955693885.db2.gz OXQTXACEJCPGSJ-HXUWFJFHSA-N -1 0 342.439 3.006 20 30 EGEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001589079644 955843971 /nfs/dbraw/zinc/84/39/71/955843971.db2.gz UVIHLFYLXUFNIL-CQSZACIVSA-N -1 0 336.391 3.393 20 30 EGEDRM C[C@@H](NC(=O)Nc1ccc(CCC#N)cc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589108694 956048913 /nfs/dbraw/zinc/04/89/13/956048913.db2.gz RRPJYCCBKZSLEB-UHOFOFEASA-N -1 0 343.427 3.400 20 30 EGEDRM N#C[C@H](CCc1ccccc1)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001594602563 956147909 /nfs/dbraw/zinc/14/79/09/956147909.db2.gz XWOJRAPVPMUEHJ-KRWDZBQOSA-N -1 0 336.391 3.415 20 30 EGEDRM N#CC1(CNCc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)CCCCC1 ZINC001594604351 956161234 /nfs/dbraw/zinc/16/12/34/956161234.db2.gz RPQCOHWZAFHNEA-OAHLLOKOSA-N -1 0 345.443 3.144 20 30 EGEDRM N#Cc1csc(C(=O)N2C[C@H](CCC(=O)[O-])Cc3ccccc32)c1 ZINC001594634120 956361980 /nfs/dbraw/zinc/36/19/80/956361980.db2.gz CSXUBMDYINICSK-GFCCVEGCSA-N -1 0 340.404 3.304 20 30 EGEDRM C[C@@H](S[C@@H](C)C(=O)[O-])C(=O)C=C1N(C)c2ccccc2C1(C)C ZINC001589168898 956449075 /nfs/dbraw/zinc/44/90/75/956449075.db2.gz TVEZUVLDTHTWOO-GIBJHAEVSA-N -1 0 333.453 3.462 20 30 EGEDRM CC1(C)C[C@]1(C(=O)[O-])C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1 ZINC001589211788 956696121 /nfs/dbraw/zinc/69/61/21/956696121.db2.gz DHMNLATXJRXDKJ-XHDPSFHLSA-N -1 0 341.194 3.175 20 30 EGEDRM C#CCN(C(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21)C1CCCCC1 ZINC001121927377 957239153 /nfs/dbraw/zinc/23/91/53/957239153.db2.gz WAZTVLAETCPXCM-ROUUACIJSA-N -1 0 340.423 3.277 20 30 EGEDRM Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@@H](C)CC(=O)[O-])cc1 ZINC001594274040 957701446 /nfs/dbraw/zinc/70/14/46/957701446.db2.gz MGIKKOLSSQCRSY-ZDUSSCGKSA-N -1 0 338.363 3.252 20 30 EGEDRM C=C(C)CCC(=O)Nc1sc(C(=O)OCC)c(C)c1C(=O)[O-] ZINC001588442030 958341209 /nfs/dbraw/zinc/34/12/09/958341209.db2.gz NYXVSUWPGSWVJJ-UHFFFAOYSA-N -1 0 325.386 3.226 20 30 EGEDRM C=CC[C@H](Cc1ccccc1)NC(=O)NCC(CC)(CC)C(=O)[O-] ZINC001588452869 958428570 /nfs/dbraw/zinc/42/85/70/958428570.db2.gz LNBXMBOKDCYRMF-MRXNPFEDSA-N -1 0 332.444 3.364 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)CC(Cc1ccccc1)Cc1ccccc1 ZINC001573317659 958453846 /nfs/dbraw/zinc/45/38/46/958453846.db2.gz FGKJURTUNKPIJR-UHFFFAOYSA-N -1 0 349.430 3.025 20 30 EGEDRM C#C[C@@H](NC(=O)Nc1cccnc1C(=O)[O-])c1ccc(Cl)cc1F ZINC001573317967 958457105 /nfs/dbraw/zinc/45/71/05/958457105.db2.gz JBSJIUSWIALYSL-GFCCVEGCSA-N -1 0 347.733 3.068 20 30 EGEDRM C#CCN(Cc1ccccc1)C(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001573327570 958491120 /nfs/dbraw/zinc/49/11/20/958491120.db2.gz RDKQDKJQVZRTAU-OALUTQOASA-N -1 0 348.402 3.145 20 30 EGEDRM C=CCn1c(=O)c2ccc(Cl)cc2nc1SCCCC(=O)[O-] ZINC001588475071 958560198 /nfs/dbraw/zinc/56/01/98/958560198.db2.gz VUFKTAMGUQYAHS-UHFFFAOYSA-N -1 0 338.816 3.193 20 30 EGEDRM CC(C)(C)[C@H]1CCc2nc(NC(=O)[C@](C)(C#N)CC(=O)[O-])sc2C1 ZINC001588539975 958956272 /nfs/dbraw/zinc/95/62/72/958956272.db2.gz IXPPVWOEZYCDPC-BTDLBPIBSA-N -1 0 349.456 3.237 20 30 EGEDRM C[C@H](C(=O)[O-])C(=O)N(Cc1ccccc1)c1cc(Cl)ccc1C#N ZINC001588564016 959118041 /nfs/dbraw/zinc/11/80/41/959118041.db2.gz ACUUWTGWLNMISB-LBPRGKRZSA-N -1 0 342.782 3.466 20 30 EGEDRM C[C@H](C(=O)[O-])C(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2 ZINC001588585260 959301796 /nfs/dbraw/zinc/30/17/96/959301796.db2.gz KEVKREBRXTXNJL-VIFPVBQESA-N -1 0 326.377 3.045 20 30 EGEDRM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)C3=COCCC3)c2)c1 ZINC000238199481 961155004 /nfs/dbraw/zinc/15/50/04/961155004.db2.gz WHGKDZNFNPGKFF-UHFFFAOYSA-N -1 0 347.370 3.417 20 30 EGEDRM CC(C)[C@@H](C(=O)[O-])C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC001588809344 961511427 /nfs/dbraw/zinc/51/14/27/961511427.db2.gz MQMQWKVFRYJAPC-MRXNPFEDSA-N -1 0 339.351 3.041 20 30 EGEDRM CN(C(=O)c1coc(/C=C/C(=O)[O-])c1)c1ccc(C#N)c(Cl)c1 ZINC001573982910 961777141 /nfs/dbraw/zinc/77/71/41/961777141.db2.gz HMFPZRIGUNKQDF-SNAWJCMRSA-N -1 0 330.727 3.179 20 30 EGEDRM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC001588871032 962077887 /nfs/dbraw/zinc/07/78/87/962077887.db2.gz HCTXQFRJHQCWQX-GOSISDBHSA-N -1 0 342.439 3.434 20 30 EGEDRM C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001341448755 962140780 /nfs/dbraw/zinc/14/07/80/962140780.db2.gz FQWCNZVQECIZDI-ZWKOTPCHSA-N -1 0 344.455 3.460 20 30 EGEDRM CC(C)Oc1ccc(COC(=O)[C@](C)(C#N)CC(=O)[O-])cc1Cl ZINC001588938101 962514279 /nfs/dbraw/zinc/51/42/79/962514279.db2.gz LJRVNTCQOBODHH-INIZCTEOSA-N -1 0 339.775 3.175 20 30 EGEDRM C=C(C)C[C@H](NC(=O)c1ccc(N(CC)CCCC)cc1)C(=O)[O-] ZINC001573322034 962764349 /nfs/dbraw/zinc/76/43/49/962764349.db2.gz UJQLDTJHCNTYPK-KRWDZBQOSA-N -1 0 332.444 3.462 20 30 EGEDRM C=CCCC(C)(C)CNS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001573353303 962999195 /nfs/dbraw/zinc/99/91/95/962999195.db2.gz TZXSKXZBGFPGKN-UHFFFAOYSA-N -1 0 345.848 3.309 20 30 EGEDRM C=CCCC[C@H](NC(=O)COc1ccc(Cl)c(CC)c1)C(=O)[O-] ZINC001573357977 963023467 /nfs/dbraw/zinc/02/34/67/963023467.db2.gz VHUHBXOMVVUGAG-HNNXBMFYSA-N -1 0 339.819 3.207 20 30 EGEDRM C=C[C@@H]1OCC[C@H]1C(=O)Nc1cc(Cl)c(Cl)cc1C(=O)[O-] ZINC001573379558 963108186 /nfs/dbraw/zinc/10/81/86/963108186.db2.gz NMMIWYKVPTVSAG-KRTXAFLBSA-N -1 0 330.167 3.221 20 30 EGEDRM C#CCCCCC(=O)N[C@H](C[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC001588440518 964039402 /nfs/dbraw/zinc/03/94/02/964039402.db2.gz YOCRVXDXBOONAR-SJLPKXTDSA-N -1 0 327.424 3.260 20 30 EGEDRM C#CCCCCC(=O)Nc1cc(C(=O)[O-])ccc1-n1cc(C)cn1 ZINC001588440827 964044634 /nfs/dbraw/zinc/04/46/34/964044634.db2.gz SOAZOVXQPJXSFT-UHFFFAOYSA-N -1 0 325.368 3.011 20 30 EGEDRM C#CCCCCNC(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC001588441388 964051205 /nfs/dbraw/zinc/05/12/05/964051205.db2.gz GDCNZHFFIBEXOE-UHFFFAOYSA-N -1 0 334.441 3.320 20 30 EGEDRM C=CC[S@](=O)(=NC(=O)c1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC001573378681 969808688 /nfs/dbraw/zinc/80/86/88/969808688.db2.gz REQMYZJPNSDXRF-HSZRJFAPSA-N -1 0 329.377 3.238 20 30 EGEDRM Cc1cc(C(=O)[O-])cc(C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)c1 ZINC001600108016 970759470 /nfs/dbraw/zinc/75/94/70/970759470.db2.gz CSJRGPBNCONYPH-HNNXBMFYSA-N -1 0 328.755 3.341 20 30 EGEDRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC001605023201 972631257 /nfs/dbraw/zinc/63/12/57/972631257.db2.gz KFRBKFBTNRKDQB-BLVKFPJESA-N -1 0 336.347 3.400 20 30 EGEDRM N#CCCCOc1cccc(NC(=O)Nc2ccnc(C(=O)[O-])c2)c1 ZINC001605581714 973861412 /nfs/dbraw/zinc/86/14/12/973861412.db2.gz ITVIUZSYJPTTEL-UHFFFAOYSA-N -1 0 340.339 3.106 20 30 EGEDRM N#Cc1cccc(NC(=O)[C@]2(C(=O)[O-])CC=CCC2)c1Br ZINC001605617467 973933247 /nfs/dbraw/zinc/93/32/47/973933247.db2.gz GNKHHFGHYUUUDZ-HNNXBMFYSA-N -1 0 349.184 3.070 20 30 EGEDRM CCCCCCCCCC(=O)Nc1nc2n(c1C(=O)[O-])CCOC2 ZINC001603641268 973989137 /nfs/dbraw/zinc/98/91/37/973989137.db2.gz XYMBGSKROSITIQ-UHFFFAOYSA-N -1 0 337.420 3.191 20 30 EGEDRM C[C@](CC(=O)[O-])(NC(=O)c1cccc(CC#N)c1)c1cccc(F)c1 ZINC001592309352 977678820 /nfs/dbraw/zinc/67/88/20/977678820.db2.gz SDDJQVQNZOVBRW-LJQANCHMSA-N -1 0 340.354 3.012 20 30 EGEDRM CC(CN1Cc2ccccc2C1)N=Nc1ccc(C(=O)[O-])cc1F ZINC001592623925 978596033 /nfs/dbraw/zinc/59/60/33/978596033.db2.gz FGJAVCKIRHVYJG-UHFFFAOYSA-N -1 0 327.359 3.328 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1N=NC[C@@H]1CCOc2ccccc21 ZINC000756899287 978700951 /nfs/dbraw/zinc/70/09/51/978700951.db2.gz UQBWWDSCHPNDHR-ZDUSSCGKSA-N -1 0 326.352 3.357 20 30 EGEDRM Cc1nn(-c2ccccc2)c(C)c1CN=Nc1ccc(C(=O)[O-])cn1 ZINC000763369372 978721361 /nfs/dbraw/zinc/72/13/61/978721361.db2.gz HHJWTJRSMCNCDW-UHFFFAOYSA-N -1 0 335.367 3.028 20 30 EGEDRM O=C([O-])c1ccc(N=NCc2cccc(OCC(F)(F)F)c2)nc1 ZINC000763369075 978721543 /nfs/dbraw/zinc/72/15/43/978721543.db2.gz FQXVBMKKJLUUCJ-UHFFFAOYSA-N -1 0 339.273 3.167 20 30 EGEDRM COc1cccc(C=NNc2ccccc2C(=O)[O-])c1OC(F)F ZINC000812445101 978869812 /nfs/dbraw/zinc/86/98/12/978869812.db2.gz QZGHUQFSNURRRT-UHFFFAOYSA-N -1 0 336.294 3.441 20 30 EGEDRM CCC(CC)(C(=O)[O-])C(=O)COC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC001595043222 979241368 /nfs/dbraw/zinc/24/13/68/979241368.db2.gz ABRTZAXVTZNDKI-UHFFFAOYSA-N -1 0 345.395 3.105 20 30 EGEDRM C[C@H](COc1ccccc1)NN=Cc1c[nH]c2ccc(C(=O)[O-])cc12 ZINC001592783135 979421862 /nfs/dbraw/zinc/42/18/62/979421862.db2.gz PZZNDLDSXQKHAO-CYBMUJFWSA-N -1 0 337.379 3.257 20 30 EGEDRM C[C@](Cc1ccc(Cl)cc1)(NC(=O)CCCCCC#N)C(=O)[O-] ZINC001592839474 979598144 /nfs/dbraw/zinc/59/81/44/979598144.db2.gz VUZHCPSZZFKDGQ-QGZVFWFLSA-N -1 0 336.819 3.316 20 30 EGEDRM C[C@@H](Cc1ccc(NC(=O)N2CCC[C@H](CC#N)C2)cc1)C(=O)[O-] ZINC001592861229 979696520 /nfs/dbraw/zinc/69/65/20/979696520.db2.gz QIRUELFDXXBGKS-DZGCQCFKSA-N -1 0 329.400 3.107 20 30 EGEDRM C[C@@H](Cc1ccc(Nc2ccc(C#N)c([N+](=O)[O-])c2)cc1)C(=O)[O-] ZINC001592882391 979751750 /nfs/dbraw/zinc/75/17/50/979751750.db2.gz DJIFHWBQNUAVOD-NSHDSACASA-N -1 0 325.324 3.473 20 30 EGEDRM C=C(C)C[C@H](NC(=O)c1cccc(SC(F)(F)F)c1)C(=O)[O-] ZINC000864187916 979835036 /nfs/dbraw/zinc/83/50/36/979835036.db2.gz QCRISVSMKADKKI-NSHDSACASA-N -1 0 333.331 3.448 20 30 EGEDRM CC[C@H](NC(=O)N1CCC(C#N)(C(=O)[O-])CC1)c1cccc(Cl)c1 ZINC001595246684 980185707 /nfs/dbraw/zinc/18/57/07/980185707.db2.gz CYCGYINGSNYEMJ-AWEZNQCLSA-N -1 0 349.818 3.191 20 30 EGEDRM CC[C@@H](NC(=O)N1CCC(C#N)(C(=O)[O-])CC1)c1cc(C)ccc1C ZINC001595247982 980196721 /nfs/dbraw/zinc/19/67/21/980196721.db2.gz WURNTPMNSGYSKQ-MRXNPFEDSA-N -1 0 343.427 3.155 20 30 EGEDRM CC[C@@](NC(=O)c1sccc1C#N)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595276630 980301569 /nfs/dbraw/zinc/30/15/69/980301569.db2.gz JTXDTEQXCLEKHQ-INIZCTEOSA-N -1 0 348.811 3.393 20 30 EGEDRM C=C[C@H](CC)CC(=O)N(CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000907575960 981195145 /nfs/dbraw/zinc/19/51/45/981195145.db2.gz WMIGXULXLDCYJK-GFCCVEGCSA-N -1 0 325.355 3.370 20 30 EGEDRM CC[C@](C)(C#N)C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC001594777562 981768896 /nfs/dbraw/zinc/76/88/96/981768896.db2.gz AIWKLGZRJPWZSX-GOSISDBHSA-N -1 0 326.352 3.182 20 30 EGEDRM CCCC[C@H](ON=C(C)C)C(=O)N[C@H](C(=O)[O-])C1CCCCC1 ZINC001595651801 982027176 /nfs/dbraw/zinc/02/71/76/982027176.db2.gz KPPFXFLBOCBBAJ-GJZGRUSLSA-N -1 0 326.437 3.107 20 30 EGEDRM CCCC[C@@H](ON=C(C)C)C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC001595652558 982035363 /nfs/dbraw/zinc/03/53/63/982035363.db2.gz VKFBQROHKSSYSV-YHUYYLMFSA-N -1 0 338.448 3.202 20 30 EGEDRM CCCC[C@H](S[C@H]1CCN(c2sccc2C#N)C1=O)C(=O)[O-] ZINC001595655874 982048673 /nfs/dbraw/zinc/04/86/73/982048673.db2.gz QCNJMWTUXLQDDM-RYUDHWBXSA-N -1 0 338.454 3.102 20 30 EGEDRM CCCCCCCC[C@@H](C)C(=O)N1CCc2[nH]nc(C(=O)[O-])c2C1 ZINC001595704852 982280558 /nfs/dbraw/zinc/28/05/58/982280558.db2.gz KBZISTMWAVKVNJ-CYBMUJFWSA-N -1 0 335.448 3.379 20 30 EGEDRM COc1cc(C(C)=NNc2cccc(C(=O)[O-])c2)cc(OC)c1OC ZINC000916255286 982673293 /nfs/dbraw/zinc/67/32/93/982673293.db2.gz OYMRTHGOBVRPKR-UHFFFAOYSA-N -1 0 344.367 3.247 20 30 EGEDRM CCCN(C(=O)c1ccc(C#Cc2ccccc2)cc1)[C@@H](C)C(=O)[O-] ZINC001595826229 982709372 /nfs/dbraw/zinc/70/93/72/982709372.db2.gz DFNVGBOUIVCEIS-INIZCTEOSA-N -1 0 335.403 3.412 20 30 EGEDRM N#C[C@]1(C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)CC2CCC1CC2 ZINC000923104320 982727387 /nfs/dbraw/zinc/72/73/87/982727387.db2.gz WBBWZXJLFOPKOP-XERDTJMFSA-N -1 0 338.407 3.312 20 30 EGEDRM CCCNc1ccc(C#N)cc1NC(=O)Cc1ccccc1C(=O)[O-] ZINC001595935742 983068855 /nfs/dbraw/zinc/06/88/55/983068855.db2.gz GKVASVDBJZLADK-UHFFFAOYSA-N -1 0 337.379 3.260 20 30 EGEDRM C#C[C@H](NC(=O)NCC1(CC(=O)[O-])CCCC1)c1ccc(Cl)cc1 ZINC001588372398 983330650 /nfs/dbraw/zinc/33/06/50/983330650.db2.gz JSFCBMNPRWWZBA-HNNXBMFYSA-N -1 0 348.830 3.349 20 30 EGEDRM CCCc1c(NC2CC(CC(=O)[O-])C2)cnn1-c1cccc(C#N)c1 ZINC001596050467 983349340 /nfs/dbraw/zinc/34/93/40/983349340.db2.gz IUJUFPOFRWKWSV-UHFFFAOYSA-N -1 0 338.411 3.362 20 30 EGEDRM C#CCC(C)(C)C(=O)Nc1ncc(Cc2cccc(C(=O)[O-])c2)s1 ZINC001588383996 983385986 /nfs/dbraw/zinc/38/59/86/983385986.db2.gz RMOSZPYLLOERJD-UHFFFAOYSA-N -1 0 342.420 3.420 20 30 EGEDRM C#CCCCC(=O)N(C)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001588435057 983474225 /nfs/dbraw/zinc/47/42/25/983474225.db2.gz AUNUAVBWOMTHAZ-CQSZACIVSA-N -1 0 328.195 3.381 20 30 EGEDRM C#CCN(Cn1ncc2cc(C(=O)[O-])ccc21)[C@H]1CCc2ccccc21 ZINC001588471721 983507094 /nfs/dbraw/zinc/50/70/94/983507094.db2.gz YOEQNWQEZIVHEM-FQEVSTJZSA-N -1 0 345.402 3.315 20 30 EGEDRM C#CCOc1cccc(NC(=O)NC[C@@H](C(=O)[O-])C2CCCCC2)c1 ZINC001588504062 983546211 /nfs/dbraw/zinc/54/62/11/983546211.db2.gz GMZOZEIOPJNZGR-QGZVFWFLSA-N -1 0 344.411 3.101 20 30 EGEDRM C#CCOc1ccccc1-c1noc([C@H]2CCC[C@@H](C(=O)[O-])C2)n1 ZINC001588504460 983547864 /nfs/dbraw/zinc/54/78/64/983547864.db2.gz XEONLYVKRHBSSE-QWHCGFSZSA-N -1 0 326.352 3.107 20 30 EGEDRM C#CCOc1ccccc1NC(=O)NC[C@@H](CC1CCCC1)C(=O)[O-] ZINC001588504893 983549256 /nfs/dbraw/zinc/54/92/56/983549256.db2.gz OKBLFRUVQSHSLF-OAHLLOKOSA-N -1 0 344.411 3.101 20 30 EGEDRM C#Cc1ccc(CNC(=O)Nc2ccc(F)c(C(=O)[O-])c2C)cc1 ZINC001588517081 983563482 /nfs/dbraw/zinc/56/34/82/983563482.db2.gz KXSHROIKOXMVJU-UHFFFAOYSA-N -1 0 326.327 3.135 20 30 EGEDRM C#Cc1cccc(CNC(=O)Nc2ccc3c(c2)[nH]cc3C(=O)[O-])c1 ZINC001588522321 983570785 /nfs/dbraw/zinc/57/07/85/983570785.db2.gz PPGIVVWSRFDBQE-UHFFFAOYSA-N -1 0 333.347 3.169 20 30 EGEDRM C#Cc1ccccc1CC(=O)Nc1ncc(C(=O)[O-])c2ccccc21 ZINC001588529319 983581153 /nfs/dbraw/zinc/58/11/53/983581153.db2.gz WUYRYWIKJCCZFL-UHFFFAOYSA-N -1 0 330.343 3.096 20 30 EGEDRM C=C(C)[C@H](CC(=O)N(CC(=O)[O-])[C@@H](CC)c1ccccc1)OCC ZINC001588530320 983584271 /nfs/dbraw/zinc/58/42/71/983584271.db2.gz ZEQLIQPAGIVJOL-IRXDYDNUSA-N -1 0 333.428 3.422 20 30 EGEDRM C=C(C)C[C@H](NC(=O)[C@H](C)Oc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC001588537493 983600279 /nfs/dbraw/zinc/60/02/79/983600279.db2.gz QLNYZFVXZNMUJC-ZANVPECISA-N -1 0 346.210 3.296 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)c1ccc(-c2csc(C)n2)s1)C(=O)[O-] ZINC001588546594 983616286 /nfs/dbraw/zinc/61/62/86/983616286.db2.gz NVQSIMDVLUWFNJ-SNVBAGLBSA-N -1 0 336.438 3.329 20 30 EGEDRM C=C(C)CN(Cc1ccccc1)C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC001588567713 983647820 /nfs/dbraw/zinc/64/78/20/983647820.db2.gz QXUQNSUHRGJNHO-GJYPPUQNSA-N -1 0 328.412 3.028 20 30 EGEDRM C=C(C)CN(Cc1ccc(/C=C/C(=O)[O-])o1)Cc1ccc(CO)o1 ZINC001588567936 983648586 /nfs/dbraw/zinc/64/85/86/983648586.db2.gz WTQVSVANNZXRNM-BQYQJAHWSA-N -1 0 331.368 3.041 20 30 EGEDRM C=C(C)Cn1c(-c2cc(C)cs2)nnc1N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001588577325 983656265 /nfs/dbraw/zinc/65/62/65/983656265.db2.gz SARVFSWHJKPEHB-CHWSQXEVSA-N -1 0 346.456 3.048 20 30 EGEDRM C=C(C)CNC(=O)Nc1ccc(Oc2ccnc(C(=O)[O-])c2)cc1 ZINC001588584699 983661459 /nfs/dbraw/zinc/66/14/59/983661459.db2.gz BSQYZQNTDRDYOO-UHFFFAOYSA-N -1 0 327.340 3.270 20 30 EGEDRM C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC001588599230 983689023 /nfs/dbraw/zinc/68/90/23/983689023.db2.gz JTBIPUCQXJHIPY-GDBMZVCRSA-N -1 0 335.425 3.173 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)NCCCO[C@H]1CCCc2ccccc21 ZINC001588624534 983733375 /nfs/dbraw/zinc/73/33/75/983733375.db2.gz MFPKCUZNZSTNFC-KRWDZBQOSA-N -1 0 331.412 3.008 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)NCc1ccc(-c2ccc(OC)cc2)s1 ZINC001588629684 983738713 /nfs/dbraw/zinc/73/87/13/983738713.db2.gz IGXNARWTLGSSLL-UHFFFAOYSA-N -1 0 345.420 3.461 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC001588633613 983750349 /nfs/dbraw/zinc/75/03/49/983750349.db2.gz KDSJQGNFLREHDR-UHFFFAOYSA-N -1 0 337.335 3.105 20 30 EGEDRM C=C(Cl)C[C@H](NCc1cc(C(=O)[O-])ccc1Cl)C(=O)OCC ZINC001588642095 983763829 /nfs/dbraw/zinc/76/38/29/983763829.db2.gz PUPIBXVNTZQQRX-ZDUSSCGKSA-N -1 0 346.210 3.202 20 30 EGEDRM C=C[C@H](C(=O)N[C@H](C(=O)[O-])c1ccc(F)c(C)c1)c1ccccc1 ZINC001588663045 983793167 /nfs/dbraw/zinc/79/31/67/983793167.db2.gz BRECZVMULPIGBX-RDJZCZTQSA-N -1 0 327.355 3.346 20 30 EGEDRM C=C[C@@H](CC)CC(=O)NCc1ccc(C(=O)[O-])cc1Br ZINC001588690811 983876690 /nfs/dbraw/zinc/87/66/90/983876690.db2.gz MAYXNRINKRCNTC-JTQLQIEISA-N -1 0 340.217 3.366 20 30 EGEDRM C=C[C@H](Sc1nnc(Nc2ccccc2OCC)s1)C(=O)[O-] ZINC001588714473 983951853 /nfs/dbraw/zinc/95/18/53/983951853.db2.gz HDIGTJRAZJILSM-NSHDSACASA-N -1 0 337.426 3.412 20 30 EGEDRM C=CC[C@@H](Cc1ccccc1)NC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001588744520 984043194 /nfs/dbraw/zinc/04/31/94/984043194.db2.gz NXYNBCNVTICDGB-AWEZNQCLSA-N -1 0 325.368 3.089 20 30 EGEDRM C=CC[C@H](Sc1n[nH]c(-c2cc(Cl)ccc2OC)n1)C(=O)[O-] ZINC001588758268 984105487 /nfs/dbraw/zinc/10/54/87/984105487.db2.gz FHKHFTHNAJTGPH-NSHDSACASA-N -1 0 339.804 3.255 20 30 EGEDRM C=CCC1(C(=O)NC[C@@H](Oc2ccc(F)cc2)C(=O)[O-])CCCCC1 ZINC001588763783 984121642 /nfs/dbraw/zinc/12/16/42/984121642.db2.gz ZONYBFXHXQRYIT-MRXNPFEDSA-N -1 0 349.402 3.301 20 30 EGEDRM C=CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC001588770586 984135091 /nfs/dbraw/zinc/13/50/91/984135091.db2.gz BFWSCPQLTWLPRY-HIFRSBDPSA-N -1 0 337.441 3.106 20 30 EGEDRM C=CCCC(C)(C)NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001588777742 984157369 /nfs/dbraw/zinc/15/73/69/984157369.db2.gz IIKPGSAPGMWDSY-UHFFFAOYSA-N -1 0 331.821 3.061 20 30 EGEDRM C=CCC[C@@H](NC(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1)c1ccccc1 ZINC001588779284 984165069 /nfs/dbraw/zinc/16/50/69/984165069.db2.gz VTHQNFGVFCXGQC-DJIMGWMZSA-N -1 0 330.428 3.446 20 30 EGEDRM C=CCC[C@H](NC(=O)N1CCSC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC001588779491 984166428 /nfs/dbraw/zinc/16/64/28/984166428.db2.gz ZIYXIZQQKJTFSI-HOTGVXAUSA-N -1 0 348.468 3.153 20 30 EGEDRM C=CCC[C@H]1CCCN1S(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC001588782314 984171572 /nfs/dbraw/zinc/17/15/72/984171572.db2.gz SWXPVMJWBXVWBA-LBPRGKRZSA-N -1 0 343.832 3.158 20 30 EGEDRM C=CCCC[C@@H](C(=O)NCc1ocnc1C(=O)[O-])c1ccccc1 ZINC001588782555 984172767 /nfs/dbraw/zinc/17/27/67/984172767.db2.gz IULWPDFRPWLFKN-CQSZACIVSA-N -1 0 328.368 3.129 20 30 EGEDRM C=CCCC[C@@H](NC(=O)COc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001588789099 984196882 /nfs/dbraw/zinc/19/68/82/984196882.db2.gz YBOKXLSAPPOALF-CYBMUJFWSA-N -1 0 345.317 3.010 20 30 EGEDRM C=CCCC[C@H](NC(=O)/C=C/Sc1cc(F)ccc1F)C(=O)[O-] ZINC001588789742 984201114 /nfs/dbraw/zinc/20/11/14/984201114.db2.gz ISJKQLRAFMHXCB-XEHSLEBBSA-N -1 0 341.379 3.496 20 30 EGEDRM C=CCCC[C@@H](NC(=O)C1(c2c(F)cccc2F)CCC1)C(=O)[O-] ZINC001588790555 984207266 /nfs/dbraw/zinc/20/72/66/984207266.db2.gz YQDFQWDXHZPEJZ-CQSZACIVSA-N -1 0 337.366 3.312 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1ccc(F)cc1C(F)(F)F)C(=O)[O-] ZINC001588793451 984218842 /nfs/dbraw/zinc/21/88/42/984218842.db2.gz QQFRFWPOVGKIQM-LBPRGKRZSA-N -1 0 333.281 3.384 20 30 EGEDRM C=CCCCCCCNS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001588799880 984243055 /nfs/dbraw/zinc/24/30/55/984243055.db2.gz NMERSFYOMUFVPQ-UHFFFAOYSA-N -1 0 347.383 3.078 20 30 EGEDRM C=CCCO[C@@H](C)C(=O)Nc1nc(-c2ccc(C(=O)[O-])cc2)cs1 ZINC001588808947 984264017 /nfs/dbraw/zinc/26/40/17/984264017.db2.gz RAHOLQNSDIESMF-NSHDSACASA-N -1 0 346.408 3.428 20 30 EGEDRM C=CCCOCCNC(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC001588813411 984269889 /nfs/dbraw/zinc/26/98/89/984269889.db2.gz SQPZBYZDKUSDGE-UHFFFAOYSA-N -1 0 339.391 3.374 20 30 EGEDRM C=CCCn1cc(C(=O)Nc2cccc3cc(C(=O)[O-])sc32)nn1 ZINC001588817300 984275318 /nfs/dbraw/zinc/27/53/18/984275318.db2.gz HEDBQEYPUVHTMI-UHFFFAOYSA-N -1 0 342.380 3.019 20 30 EGEDRM C=CCN(CCc1ccccc1)CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001588828941 984310105 /nfs/dbraw/zinc/31/01/05/984310105.db2.gz UTWYYKVURQEIPT-UHFFFAOYSA-N -1 0 338.407 3.054 20 30 EGEDRM C=CCN(Cc1ccccc1)C(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001588832939 984327281 /nfs/dbraw/zinc/32/72/81/984327281.db2.gz YTKBOFZZWYVMLD-UHFFFAOYSA-N -1 0 330.428 3.419 20 30 EGEDRM C=CCN1CC[C@H](Sc2cc3ccccc3cc2C(=O)[O-])C1=O ZINC001588839205 984345091 /nfs/dbraw/zinc/34/50/91/984345091.db2.gz OTHLFXSXAPGPAE-HNNXBMFYSA-N -1 0 327.405 3.417 20 30 EGEDRM C=CCOC[C@H](NC(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2)C(=O)[O-] ZINC001588856279 984398281 /nfs/dbraw/zinc/39/82/81/984398281.db2.gz XKCCQXGERJADJL-WMLOPIRWSA-N -1 0 349.471 3.145 20 30 EGEDRM C=CCONC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC001588868652 984434408 /nfs/dbraw/zinc/43/44/08/984434408.db2.gz ORYAGEQLHUELFZ-UHFFFAOYSA-N -1 0 336.347 3.024 20 30 EGEDRM C=CCOc1ccc(CNC(=O)NCC2(CC(=O)[O-])CCCC2)cc1 ZINC001588873722 984445309 /nfs/dbraw/zinc/44/53/09/984445309.db2.gz JNQYINOVQUJFIZ-UHFFFAOYSA-N -1 0 346.427 3.086 20 30 EGEDRM C=CC[S@](=O)(=NC(=O)Cc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC001588879196 984457303 /nfs/dbraw/zinc/45/73/03/984457303.db2.gz VQRHRVHXUGDXAZ-XMMPIXPASA-N -1 0 343.404 3.167 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@H]1CCC(F)(F)C1 ZINC001588881596 984460688 /nfs/dbraw/zinc/46/06/88/984460688.db2.gz BRHZVXYPXSTXAF-NSHDSACASA-N -1 0 340.322 3.463 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)C[C@H](C)[C@@H]1CCCO1 ZINC001588882416 984463069 /nfs/dbraw/zinc/46/30/69/984463069.db2.gz RVWCNLIJYMVTAP-WFASDCNBSA-N -1 0 348.395 3.233 20 30 EGEDRM C=CCn1c(C2CCCC2)nnc1N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001588898160 984516350 /nfs/dbraw/zinc/51/63/50/984516350.db2.gz ZZJWKNNLISAQOC-HNNXBMFYSA-N -1 0 346.475 3.449 20 30 EGEDRM C=CCn1c(C2CCCC2)nnc1N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC001588898162 984516453 /nfs/dbraw/zinc/51/64/53/984516453.db2.gz ZZJWKNNLISAQOC-OAHLLOKOSA-N -1 0 346.475 3.449 20 30 EGEDRM C=CCn1cc2ccc(NC(=O)c3[nH]c(C)c(C(=O)[O-])c3C)cc2n1 ZINC001588909171 984542740 /nfs/dbraw/zinc/54/27/40/984542740.db2.gz MXHZTDSKUOVHJS-UHFFFAOYSA-N -1 0 338.367 3.118 20 30 EGEDRM C=CCn1cc2ccc(NC(=O)/C=C\c3cc(C(=O)[O-])co3)cc2n1 ZINC001588909385 984543588 /nfs/dbraw/zinc/54/35/88/984543588.db2.gz RRZHMTZZAPQXCI-WAYWQWQTSA-N -1 0 337.335 3.165 20 30 EGEDRM C=CCn1ncc2ccc(N[C@H]3CCCn4nc(C(=O)[O-])cc43)cc21 ZINC001588912512 984551579 /nfs/dbraw/zinc/55/15/79/984551579.db2.gz JIOHVLBZHSMXRY-AWEZNQCLSA-N -1 0 337.383 3.064 20 30 EGEDRM C=C[C@@H]1OCC[C@H]1NC(=O)Nc1cccc2cc(C(=O)[O-])sc21 ZINC001588920146 984576406 /nfs/dbraw/zinc/57/64/06/984576406.db2.gz UFBSLEXTERTXLY-PWSUYJOCSA-N -1 0 332.381 3.065 20 30 EGEDRM CCOC(=O)c1[nH]c(C)c(C=NNc2cccc(F)c2C(=O)[O-])c1C ZINC001596691949 984810865 /nfs/dbraw/zinc/81/08/65/984810865.db2.gz QSQGHNGAHGVINW-UHFFFAOYSA-N -1 0 347.346 3.092 20 30 EGEDRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)[C@@H](C#N)c1nccc2ccccc21 ZINC001599956008 985690974 /nfs/dbraw/zinc/69/09/74/985690974.db2.gz JHVBMRQZWCEVCM-AWEZNQCLSA-N -1 0 333.347 3.368 20 30 EGEDRM CCOc1cc(C=NNC2CC2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001597033784 986464753 /nfs/dbraw/zinc/46/47/53/986464753.db2.gz PNNQVRRMKFTZOR-UHFFFAOYSA-N -1 0 344.367 3.041 20 30 EGEDRM CCOc1ccc(Cl)cc1CCNc1ccc(C(=O)[O-])nc1C#N ZINC001597106373 986749252 /nfs/dbraw/zinc/74/92/52/986749252.db2.gz QHGCLWFUKOESBF-UHFFFAOYSA-N -1 0 345.786 3.358 20 30 EGEDRM CCOc1ccc(NC(=O)N(C)[C@@H]2CCC[C@@H]2C#N)c(C(=O)[O-])c1F ZINC001597117901 986795053 /nfs/dbraw/zinc/79/50/53/986795053.db2.gz OSICIGYWAFUAAK-ZYHUDNBSSA-N -1 0 349.362 3.079 20 30 EGEDRM C[C@H](C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc(F)c(F)c1 ZINC001589541103 987252334 /nfs/dbraw/zinc/25/23/34/987252334.db2.gz YMULVYJFCBCDRR-QFYYESIMSA-N -1 0 345.301 3.309 20 30 EGEDRM CC(C)(C#N)CCCOC(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC001589554931 987304779 /nfs/dbraw/zinc/30/47/79/987304779.db2.gz WYNSKBOMCIJKQB-UHFFFAOYSA-N -1 0 328.368 3.213 20 30 EGEDRM CC(C)(C#N)S(=O)(=O)c1ccc(-c2ccccc2CC(=O)[O-])cc1 ZINC001589558807 987310771 /nfs/dbraw/zinc/31/07/71/987310771.db2.gz URJNSXRHWWWFAQ-UHFFFAOYSA-N -1 0 343.404 3.057 20 30 EGEDRM CC(C)(C(=O)Nc1cc(C(=O)[O-])c(F)cc1F)c1ccc(C#N)cc1 ZINC001589580471 987360603 /nfs/dbraw/zinc/36/06/03/987360603.db2.gz QPDFSFHZSPGLSZ-UHFFFAOYSA-N -1 0 344.317 3.451 20 30 EGEDRM CC(C)(C)C#CC(=O)Nc1cc(Br)c(F)c(C(=O)[O-])c1 ZINC001589684287 987721207 /nfs/dbraw/zinc/72/12/07/987721207.db2.gz CLGCVWRSUYNQFW-UHFFFAOYSA-N -1 0 342.164 3.274 20 30 EGEDRM CC(C)(C)C#CC(=O)N[C@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001589684950 987724760 /nfs/dbraw/zinc/72/47/60/987724760.db2.gz RRSFGPUOZRFSMB-CYBMUJFWSA-N -1 0 341.329 3.387 20 30 EGEDRM CSc1ccc(CN[C@@H](C)c2ncc(C(=O)[O-])s2)cc1C#N ZINC001599813262 988375729 /nfs/dbraw/zinc/37/57/29/988375729.db2.gz NQCCKUJHJIJWKO-VIFPVBQESA-N -1 0 333.438 3.286 20 30 EGEDRM CCc1cccc(C)c1NN=Cc1c(C)nn(CCC(=O)[O-])c1C ZINC001597580974 988385037 /nfs/dbraw/zinc/38/50/37/988385037.db2.gz JZZRNTJDLYEFAY-UHFFFAOYSA-N -1 0 328.416 3.291 20 30 EGEDRM C[C@@H](CC(=O)[O-])OC(=O)c1cccc(COc2ccccc2C#N)c1 ZINC001599835256 988731192 /nfs/dbraw/zinc/73/11/92/988731192.db2.gz UWVYJJOCAGFAMM-ZDUSSCGKSA-N -1 0 339.347 3.157 20 30 EGEDRM CCc1nc(NC(=O)c2cc(C#N)ccc2Cl)sc1C(=O)[O-] ZINC001597681413 988813041 /nfs/dbraw/zinc/81/30/41/988813041.db2.gz BBKUHSQROMNWPC-UHFFFAOYSA-N -1 0 335.772 3.181 20 30 EGEDRM CN(C(=O)C1CC1)c1ccc(N[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC001597996436 990104036 /nfs/dbraw/zinc/10/40/36/990104036.db2.gz DASGRSCZBIJLPV-SFHVURJKSA-N -1 0 349.390 3.169 20 30 EGEDRM CN(C(=O)Nc1cccc(SCCC(=O)[O-])c1)[C@H]1CCC[C@H]1C#N ZINC001598061698 990334889 /nfs/dbraw/zinc/33/48/89/990334889.db2.gz MLYRAFYGMFRUNM-WFASDCNBSA-N -1 0 347.440 3.409 20 30 EGEDRM CC(C)(CCC#N)CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001590656101 990352182 /nfs/dbraw/zinc/35/21/82/990352182.db2.gz IIKNGHJKTXEIEE-UHFFFAOYSA-N -1 0 325.315 3.114 20 30 EGEDRM CC(C)(Oc1ccccc1)C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001590907093 990871798 /nfs/dbraw/zinc/87/17/98/990871798.db2.gz LNFGIDJSVFSZBA-MRXNPFEDSA-N -1 0 339.347 3.085 20 30 EGEDRM CC(C)[C@H](Oc1ccccc1C#N)C(=O)Oc1ccc(C(=O)[O-])cc1 ZINC001591052819 991461788 /nfs/dbraw/zinc/46/17/88/991461788.db2.gz WZYRRMWAVBHNRO-KRWDZBQOSA-N -1 0 339.347 3.265 20 30 EGEDRM CN(CC(C)(C)C#N)C(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC001598420380 991757279 /nfs/dbraw/zinc/75/72/79/991757279.db2.gz XDRFEMNVJCZFKD-UHFFFAOYSA-N -1 0 335.429 3.339 20 30 EGEDRM CN1C(=O)CCc2cc(/C=C/C(=O)c3ccc(C(=O)[O-])cc3)ccc21 ZINC001598551636 993010038 /nfs/dbraw/zinc/01/00/38/993010038.db2.gz HONPPMINSSJTGW-XCVCLJGOSA-N -1 0 335.359 3.190 20 30 EGEDRM C[C@H](NC(=O)N1CCc2ccc(C(=O)[O-])cc2C1)c1ccc(C#N)cc1 ZINC001593070338 993619664 /nfs/dbraw/zinc/61/96/64/993619664.db2.gz QAISUUUOOGATGN-ZDUSSCGKSA-N -1 0 349.390 3.085 20 30 EGEDRM C[C@H](c1nc2ccccc2n1C(F)F)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001593734240 996323150 /nfs/dbraw/zinc/32/31/50/996323150.db2.gz SJOODAKOVLXZJO-LLVKDONJSA-N -1 0 348.353 3.183 20 30 EGEDRM CC1(C)CN(c2ccc(C(=O)[O-])nc2C#N)CC[C@H]1C(F)(F)F ZINC001593947188 997001479 /nfs/dbraw/zinc/00/14/79/997001479.db2.gz QERXLGVJVYXDEP-GFCCVEGCSA-N -1 0 327.306 3.066 20 30 EGEDRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)c1ccc(C)c(C#N)c1 ZINC001599396840 997141514 /nfs/dbraw/zinc/14/15/14/997141514.db2.gz ASKFBWGSPYCUCZ-VMPITWQZSA-N -1 0 337.331 3.192 20 30 EGEDRM COc1ccc(/C=C/C(=O)[O-])cc1OC(=O)[C@@]1(C#N)CC12CCCC2 ZINC001599540996 997841860 /nfs/dbraw/zinc/84/18/60/997841860.db2.gz BAFSHOQBICUMKU-XZXOBPBMSA-N -1 0 341.363 3.172 20 30 EGEDRM COc1cc(C#N)ccc1C(=O)O[C@@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC001599349395 998066168 /nfs/dbraw/zinc/06/61/68/998066168.db2.gz ROURLDQMZZAUII-JTQLQIEISA-N -1 0 329.308 3.085 20 30 EGEDRM CC1=C(C(=O)[O-])[C@H](c2ccc(C(C)(C)C#N)cc2)NC(=O)N1C1CC1 ZINC001594095456 998066614 /nfs/dbraw/zinc/06/66/14/998066614.db2.gz QBADZPIZYGDEFT-INIZCTEOSA-N -1 0 339.395 3.075 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1OC(=O)[C@@]1(C#N)CC2CCC1CC2 ZINC001599377538 998511787 /nfs/dbraw/zinc/51/17/87/998511787.db2.gz DLLMGXKZXLGRKO-LJMKFJKQSA-N -1 0 329.352 3.019 20 30 EGEDRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)Nc1scc(C(C)(C)C)c1C#N ZINC001594155630 998562686 /nfs/dbraw/zinc/56/26/86/998562686.db2.gz DBKDUWKYRGEUNU-VHSXEESVSA-N -1 0 335.429 3.244 20 30 EGEDRM C[C@@H]1CC[C@@](NC(=O)Cc2ccc(C#N)cc2)(C(=O)[O-])c2ccccc21 ZINC001594315550 999222494 /nfs/dbraw/zinc/22/24/94/999222494.db2.gz YTHZOTOCFQMHEX-SZNDQCEHSA-N -1 0 348.402 3.094 20 30 EGEDRM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])c1ccc2c(c1)OCO2 ZINC000103503231 219308661 /nfs/dbraw/zinc/30/86/61/219308661.db2.gz GGUAWMNHNGSZFG-CQSZACIVSA-N -1 0 346.342 3.410 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000048496762 213943348 /nfs/dbraw/zinc/94/33/48/213943348.db2.gz XHAKJMHXALFIHH-UHFFFAOYSA-N -1 0 344.436 3.420 20 30 EGEDRM COc1ccc(/C=C(\C(=O)C(=O)[O-])c2ccc3ccccc3n2)cc1 ZINC000004868734 210308065 /nfs/dbraw/zinc/30/80/65/210308065.db2.gz JSKMYLXATJFSTJ-VBKFSLOCSA-N -1 0 333.343 3.438 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2cc3c(s2)CCC3)n1 ZINC000007828785 258053426 /nfs/dbraw/zinc/05/34/26/258053426.db2.gz YETGIAJIHAEZOR-NSHDSACASA-N -1 0 346.433 3.035 20 30 EGEDRM N#Cc1cc([N-]S(=O)(=O)Cc2ccccc2F)nc2ccccc12 ZINC000351217046 144259343 /nfs/dbraw/zinc/25/93/43/144259343.db2.gz BVKYMRDORVYGRT-UHFFFAOYSA-N -1 0 341.367 3.187 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)c2cncc(Cl)c2)cc1Cl ZINC000351507770 144271210 /nfs/dbraw/zinc/27/12/10/144271210.db2.gz AHVBNDCQXUUJQC-UHFFFAOYSA-N -1 0 328.180 3.061 20 30 EGEDRM Cc1cccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c1C#N ZINC000343809939 164040758 /nfs/dbraw/zinc/04/07/58/164040758.db2.gz AUJGZCCJVMWWQS-UHFFFAOYSA-N -1 0 326.299 3.085 20 30 EGEDRM CC(C)Cn1cc(C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)c2ccccc21 ZINC000359721951 167214290 /nfs/dbraw/zinc/21/42/90/167214290.db2.gz CTFVNRXQUVRGIU-UHFFFAOYSA-N -1 0 347.422 3.444 20 30 EGEDRM N#Cc1cccc(OC2CCN(C(=O)c3c([O-])cccc3F)CC2)c1 ZINC000123300654 222252276 /nfs/dbraw/zinc/25/22/76/222252276.db2.gz OXSYBZVSAIJQSL-UHFFFAOYSA-N -1 0 340.354 3.087 20 30 EGEDRM N#Cc1ccc(CSCC(=O)[N-]S(=O)(=O)c2ccccc2)cc1 ZINC000048406729 269962536 /nfs/dbraw/zinc/96/25/36/269962536.db2.gz OSQZGXOCHGQATO-UHFFFAOYSA-N -1 0 346.433 3.137 20 30 EGEDRM CCCc1nc(C)c([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)s1 ZINC000435731385 267043065 /nfs/dbraw/zinc/04/30/65/267043065.db2.gz KXGWXBONGXFLRY-UHFFFAOYSA-N -1 0 335.454 3.385 20 30 EGEDRM Cc1ccc([N-]S(=O)(=O)c2ccccc2C#N)cc1OC(C)C ZINC000447271283 268040901 /nfs/dbraw/zinc/04/09/01/268040901.db2.gz QIPLIFYDUMVYIR-UHFFFAOYSA-N -1 0 330.409 3.455 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2cc(C#N)c3ccccc3n2)c(F)c1 ZINC000508115912 268042723 /nfs/dbraw/zinc/04/27/23/268042723.db2.gz JXBVZJRXOQXRET-UHFFFAOYSA-N -1 0 341.367 3.355 20 30 EGEDRM Cc1cccc(S(=O)(=O)[N-]c2ccccc2OC(C)C)c1C#N ZINC000441321390 268056539 /nfs/dbraw/zinc/05/65/39/268056539.db2.gz CMLJQPCSCUKOLG-UHFFFAOYSA-N -1 0 330.409 3.455 20 30 EGEDRM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(OC(C)(C)C)c(C#N)c1 ZINC000451079416 268096930 /nfs/dbraw/zinc/09/69/30/268096930.db2.gz ADGKETYNJFXUES-UHFFFAOYSA-N -1 0 349.412 3.141 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCC3)c(F)c2)o1 ZINC000288680895 268207294 /nfs/dbraw/zinc/20/72/94/268207294.db2.gz ZZNTUYKLNBPKRP-UHFFFAOYSA-N -1 0 336.344 3.022 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2OC(F)F)s1 ZINC000435476296 268260504 /nfs/dbraw/zinc/26/05/04/268260504.db2.gz DAPZWRAPNCYJRK-UHFFFAOYSA-N -1 0 348.327 3.161 20 30 EGEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1cccc(CC(F)(F)F)c1 ZINC000174758259 268286565 /nfs/dbraw/zinc/28/65/65/268286565.db2.gz HZMLSJZXBQDGBM-UHFFFAOYSA-N -1 0 340.326 3.464 20 30 EGEDRM Cn1ncc(C#N)c1[N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000187723596 303046697 /nfs/dbraw/zinc/04/66/97/303046697.db2.gz PMSUBEUGZMOUMB-UHFFFAOYSA-N -1 0 344.440 3.140 20 30 EGEDRM N#Cc1c(NC(=O)CC2(CC(=O)[O-])CCCC2)sc2c1CCC2 ZINC000336864468 303177424 /nfs/dbraw/zinc/17/74/24/303177424.db2.gz OVZGGFQEYTVUEH-UHFFFAOYSA-N -1 0 332.425 3.472 20 30 EGEDRM CCCOc1ccc([N-]S(=O)(=O)c2ccccc2C#N)c(C)c1 ZINC000055687804 307341263 /nfs/dbraw/zinc/34/12/63/307341263.db2.gz HSVJQHQBPNYETH-UHFFFAOYSA-N -1 0 330.409 3.456 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2OC(C)C)cc1 ZINC000057122637 307346026 /nfs/dbraw/zinc/34/60/26/307346026.db2.gz AFGHGTSTPSJJOY-UHFFFAOYSA-N -1 0 330.409 3.455 20 30 EGEDRM Cc1[n-]n(-c2ccc(C)cc2C)c(=O)c1C(=O)Nc1cccc(C#N)c1 ZINC000155588780 307816938 /nfs/dbraw/zinc/81/69/38/307816938.db2.gz ARNAVPBTUCDASV-SFHVURJKSA-N -1 0 346.390 3.153 20 30 EGEDRM CCCn1ncc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c1C1CC1 ZINC000556265233 315425696 /nfs/dbraw/zinc/42/56/96/315425696.db2.gz AJSSMHWIWCUURA-UHFFFAOYSA-N -1 0 344.440 3.151 20 30 EGEDRM C[C@H]1C[C@@H](C(=O)[O-])CN(c2c(C#N)cnc3c(Cl)cccc32)C1 ZINC000571799478 317249322 /nfs/dbraw/zinc/24/93/22/317249322.db2.gz GUXQGTVCCVWWKV-WDEREUQCSA-N -1 0 329.787 3.307 20 30 EGEDRM COCC[C@@H](Cc1cccc(-c2ccc(O)c(C#N)c2)c1)C(=O)[O-] ZINC000571821187 317252179 /nfs/dbraw/zinc/25/21/79/317252179.db2.gz KOSJHTOYQVATKR-INIZCTEOSA-N -1 0 325.364 3.211 20 30 EGEDRM C[C@@H](C#N)CNCc1cc(Br)c([O-])c(Br)c1 ZINC000235482897 456151849 /nfs/dbraw/zinc/15/18/49/456151849.db2.gz PYHUWORIHBBEJD-ZETCQYMHSA-N -1 0 348.038 3.166 20 30 EGEDRM C[C@H]1CN(c2c(C#N)cnc3c(Cl)cccc32)CC[C@H]1C(=O)[O-] ZINC000600800549 460609951 /nfs/dbraw/zinc/60/99/51/460609951.db2.gz MMLAJVMNDPJRMM-CMPLNLGQSA-N -1 0 329.787 3.307 20 30 EGEDRM C[C@@H]1CN(c2c(C#N)cnc3c(F)c(F)c(F)cc32)CC[C@H]1C(=O)[O-] ZINC000600801454 460610054 /nfs/dbraw/zinc/61/00/54/460610054.db2.gz QIGSJQGIALEHSQ-PSASIEDQSA-N -1 0 349.312 3.071 20 30 EGEDRM N#Cc1nc(NC(=O)c2cc3c(s2)CCCCCC3)[n-]c1C#N ZINC000026275905 453795791 /nfs/dbraw/zinc/79/57/91/453795791.db2.gz GKCXMEMCTRIMDP-UHFFFAOYSA-N -1 0 325.397 3.126 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccsc2)cc1C(F)(F)F ZINC000083536755 453950069 /nfs/dbraw/zinc/95/00/69/453950069.db2.gz NZTCYCFIOIFOAW-UHFFFAOYSA-N -1 0 332.328 3.439 20 30 EGEDRM Cn1c2ccccc2nc1C(C#N)=C([O-])c1occc1Br ZINC000083763247 453959044 /nfs/dbraw/zinc/95/90/44/453959044.db2.gz GKEFOZWJFHXTPT-VIFPVBQESA-N -1 0 344.168 3.419 20 30 EGEDRM N#Cc1ccc(OC(F)F)c([N-]S(=O)(=O)c2cccs2)c1 ZINC000076195374 453978236 /nfs/dbraw/zinc/97/82/36/453978236.db2.gz OUWFYKKHWVYYBQ-UHFFFAOYSA-N -1 0 330.337 3.022 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)C=Cc2ccc(F)cc2)cc1 ZINC000042304363 454004996 /nfs/dbraw/zinc/00/49/96/454004996.db2.gz LKLZBVUPABPXIR-BJMVGYQFSA-N -1 0 330.340 3.056 20 30 EGEDRM O=C(C=Cc1ccc(Cl)nc1)[N-]S(=O)(=O)c1ccsc1 ZINC000089241456 454129297 /nfs/dbraw/zinc/12/92/97/454129297.db2.gz VKODVDLXIRROAW-DUXPYHPUSA-N -1 0 328.802 3.155 20 30 EGEDRM O=C(C=Cc1cccc([N+](=O)[O-])c1)[N-]S(=O)(=O)C1CCCCC1 ZINC000058072642 454162931 /nfs/dbraw/zinc/16/29/31/454162931.db2.gz QWQQFBJQIVCWEJ-MDZDMXLPSA-N -1 0 338.385 3.227 20 30 EGEDRM COCCOc1ncccc1C([O-])=C(C#N)c1nc(C(C)C)cs1 ZINC000091698082 454460777 /nfs/dbraw/zinc/46/07/77/454460777.db2.gz ZMKUYJDZJOZVMV-CYBMUJFWSA-N -1 0 345.424 3.177 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)N[C@H](C)CCc2ccccc2)cc1C#N ZINC000074344643 454567569 /nfs/dbraw/zinc/56/75/69/454567569.db2.gz UKJASCDOIYMZOH-GFCCVEGCSA-N -1 0 341.436 3.132 20 30 EGEDRM CCN(C)C(=O)c1cccc(C([O-])=C(C#N)c2nc(C)cs2)c1 ZINC000103795849 454568625 /nfs/dbraw/zinc/56/86/25/454568625.db2.gz KGLOGWVITVJTQI-CQSZACIVSA-N -1 0 327.409 3.034 20 30 EGEDRM C=CCCS(=O)(=O)[N-]c1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000092879780 454648072 /nfs/dbraw/zinc/64/80/72/454648072.db2.gz MUDYGCCHZYQTMK-UHFFFAOYSA-N -1 0 346.239 3.497 20 30 EGEDRM COc1c(Cl)cccc1[N-]S(=O)(=O)c1cccc(C)c1C#N ZINC000137305521 454776224 /nfs/dbraw/zinc/77/62/24/454776224.db2.gz WHDWWKBTPPSEOF-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM COC(=O)c1oc(Cn2[n-]c(C(C)(C)C)c(CCC#N)c2=O)cc1C ZINC000176779484 454781610 /nfs/dbraw/zinc/78/16/10/454781610.db2.gz CUKIJGATTOYCAI-UHFFFAOYSA-N -1 0 345.399 3.079 20 30 EGEDRM N#C[C@H](C(=O)c1cnn2c1CCCC2)c1ccc(C(F)(F)F)cn1 ZINC000125580998 454832921 /nfs/dbraw/zinc/83/29/21/454832921.db2.gz QNECCTQXPORKCD-NSHDSACASA-N -1 0 334.301 3.123 20 30 EGEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1cc(Cl)cc(C(F)(F)F)c1 ZINC000169163855 454929350 /nfs/dbraw/zinc/92/93/50/454929350.db2.gz JKBDQWCDQJSYPY-SNVBAGLBSA-N -1 0 326.727 3.403 20 30 EGEDRM CC(C)(C)OC(=O)N1CCC[C@H]1C/N=C/c1cc([N+](=O)[O-])ccc1[O-] ZINC000170963942 455006703 /nfs/dbraw/zinc/00/67/03/455006703.db2.gz JGGHYUBOUIQSGN-XKYMITNMSA-N -1 0 349.387 3.119 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)Nc2cncc(Cl)c2Cl)cc1 ZINC000180288694 455154981 /nfs/dbraw/zinc/15/49/81/455154981.db2.gz NXPZKRBSFBFLKX-UHFFFAOYSA-N -1 0 328.180 3.061 20 30 EGEDRM C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000160153229 455433384 /nfs/dbraw/zinc/43/33/84/455433384.db2.gz FSMUBQIPEIBAFM-UHFFFAOYSA-N -1 0 337.335 3.000 20 30 EGEDRM N#Cc1ccc(C(=O)N2CCc3cc(Br)ccc32)cc1[O-] ZINC000191063018 455435638 /nfs/dbraw/zinc/43/56/38/455435638.db2.gz SQSKKONXUAPSJY-UHFFFAOYSA-N -1 0 343.180 3.229 20 30 EGEDRM COc1ccc(Cl)c(S(=O)(=O)N[C@@H](C#N)C2CCCCC2)c1 ZINC000161119191 455536022 /nfs/dbraw/zinc/53/60/22/455536022.db2.gz RNXXSIZUSKXQQP-AWEZNQCLSA-N -1 0 342.848 3.099 20 30 EGEDRM Cc1c(C([O-])=C(C#N)c2nc3ccccc3n2C)oc2c1C(=O)CCC2 ZINC000194086122 455799810 /nfs/dbraw/zinc/79/98/10/455799810.db2.gz WFYAPMXYQSYBTN-GFCCVEGCSA-N -1 0 347.374 3.484 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)c2nc3ccccc3n2C)nn1C(C)(C)C ZINC000194086327 455799866 /nfs/dbraw/zinc/79/98/66/455799866.db2.gz DMDOJHUHJRAVDX-ZDUSSCGKSA-N -1 0 335.411 3.323 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2cn(-c3cccc(Cl)c3)nn2)n1 ZINC000187232942 455884799 /nfs/dbraw/zinc/88/47/99/455884799.db2.gz WJUOWDHUUIRFSY-LBPRGKRZSA-N -1 0 343.799 3.176 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2ccc3[nH]c([C@@H]4CCCO4)nc3c2)cc1[O-] ZINC000188344519 456047733 /nfs/dbraw/zinc/04/77/33/456047733.db2.gz GSTPRKPMFUODBB-KRWDZBQOSA-N -1 0 348.362 3.244 20 30 EGEDRM CCCCCCCC(=O)Nc1ccc(C(=O)N[C@H](C)C(=O)[O-])cc1 ZINC000296843499 456051149 /nfs/dbraw/zinc/05/11/49/456051149.db2.gz UUSHOUPETXPHKZ-CYBMUJFWSA-N -1 0 334.416 3.189 20 30 EGEDRM C=CCC[C@H](NC(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000263153847 456101257 /nfs/dbraw/zinc/10/12/57/456101257.db2.gz FPHJYTWRTGQJEW-OIISXLGYSA-N -1 0 330.428 3.446 20 30 EGEDRM CC(=O)N1CCC[C@H](C/N=C/c2cc(Cl)cc(Cl)c2[O-])C1 ZINC000280990091 456103609 /nfs/dbraw/zinc/10/36/09/456103609.db2.gz MRPKERZNDYATJU-SUDUWZNWSA-N -1 0 329.227 3.376 20 30 EGEDRM Cc1ccc2cccc(S(=O)(=O)[N-]c3ccc(F)cc3C#N)c2n1 ZINC000612735301 460714383 /nfs/dbraw/zinc/71/43/83/460714383.db2.gz YVPWKVVITBDPOI-UHFFFAOYSA-N -1 0 341.367 3.355 20 30 EGEDRM C[C@H]1C[C@H](C(=O)[O-])CN(c2c(C#N)cnc3c(F)ccc(Cl)c32)C1 ZINC000263292558 456120342 /nfs/dbraw/zinc/12/03/42/456120342.db2.gz ZAORSEDVOQNXCB-UWVGGRQHSA-N -1 0 347.777 3.446 20 30 EGEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(SC)c1 ZINC000337739946 456516059 /nfs/dbraw/zinc/51/60/59/456516059.db2.gz CKDMSHYBVRMSJN-UHFFFAOYSA-N -1 0 348.449 3.480 20 30 EGEDRM C=CCC[C@@H](NC(=O)Nc1ccc(Br)c(C)c1)C(=O)[O-] ZINC000315707267 456610751 /nfs/dbraw/zinc/61/07/51/456610751.db2.gz FTZDKOBPMGPPRA-GFCCVEGCSA-N -1 0 341.205 3.298 20 30 EGEDRM C=CCOc1ccc(/C=C/C(=O)NCCCCCC(=O)[O-])cc1OC ZINC000299259429 456645295 /nfs/dbraw/zinc/64/52/95/456645295.db2.gz PUYRHHVMFFXQIJ-PKNBQFBNSA-N -1 0 347.411 3.034 20 30 EGEDRM COc1cc(C#N)ccc1NC(=O)CC1(C(=O)[O-])CCCCCC1 ZINC000325730734 456687209 /nfs/dbraw/zinc/68/72/09/456687209.db2.gz BFKIJUYEXMRDIO-UHFFFAOYSA-N -1 0 330.384 3.321 20 30 EGEDRM C=CCCCS(=O)(=O)[N-]c1nnc(Cc2ccccc2Cl)o1 ZINC000291911776 456796496 /nfs/dbraw/zinc/79/64/96/456796496.db2.gz SMUZOPADPIVLID-UHFFFAOYSA-N -1 0 341.820 3.022 20 30 EGEDRM Cc1cn(-c2ccc(F)cc2)nc1C([O-])=C(C#N)c1cc(C)nc(C)n1 ZINC000338627826 456845833 /nfs/dbraw/zinc/84/58/33/456845833.db2.gz SODRELKPSOEZHA-MRXNPFEDSA-N -1 0 349.369 3.217 20 30 EGEDRM Cn1c2ccccc2nc1[C@H](C#N)C(=O)c1cncc(C(F)(F)F)c1 ZINC000344840020 456869071 /nfs/dbraw/zinc/86/90/71/456869071.db2.gz FXJOLGNGZQDANZ-GFCCVEGCSA-N -1 0 344.296 3.477 20 30 EGEDRM [O-]/C(=N/Cc1cn2ccsc2n1)Nc1cnc2c(c1)CCCC2 ZINC000329342761 456875137 /nfs/dbraw/zinc/87/51/37/456875137.db2.gz STEDQNHMRXNFIX-UHFFFAOYSA-N -1 0 327.413 3.196 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2csc(C(C)=O)c2)n1 ZINC000345061184 456913257 /nfs/dbraw/zinc/91/32/57/456913257.db2.gz HWFDOEZFPADMAQ-JTQLQIEISA-N -1 0 348.405 3.074 20 30 EGEDRM CC(C)c1nc([C@@H]2CCCCCN2C(=O)N=c2cn[n-]s2)no1 ZINC000330203821 457002683 /nfs/dbraw/zinc/00/26/83/457002683.db2.gz BDADRGCVRJIAGO-JTQLQIEISA-N -1 0 336.421 3.207 20 30 EGEDRM N#CCc1ccc(C(=O)Nc2cccc(CSCC(=O)[O-])c2)cc1 ZINC000345875938 457003439 /nfs/dbraw/zinc/00/34/39/457003439.db2.gz YLYONXUIBYYZSZ-UHFFFAOYSA-N -1 0 340.404 3.323 20 30 EGEDRM Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1/C([O-])=N/CC(C)(C)C ZINC000330566936 457057361 /nfs/dbraw/zinc/05/73/61/457057361.db2.gz AWLQHONUMRYUMX-UHFFFAOYSA-N -1 0 348.472 3.180 20 30 EGEDRM CCN(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)[C@H](C)c1ccc(C#N)cc1 ZINC000356606033 457080199 /nfs/dbraw/zinc/08/01/99/457080199.db2.gz HGAJJSRFMOXVPK-GFCCVEGCSA-N -1 0 339.351 3.395 20 30 EGEDRM COc1ccc(-c2ncc(C([O-])=C(C#N)c3ccncn3)s2)cc1 ZINC000354470439 457244338 /nfs/dbraw/zinc/24/43/38/457244338.db2.gz NTVILDWBRJUDFE-CYBMUJFWSA-N -1 0 336.376 3.099 20 30 EGEDRM CC(C)n1ncc2c1nc(C1CC1)cc2C([O-])=C(C#N)c1ccncn1 ZINC000354475755 457247375 /nfs/dbraw/zinc/24/73/75/457247375.db2.gz RPSQTCGLVGJVEH-AWEZNQCLSA-N -1 0 346.394 3.170 20 30 EGEDRM O=C([O-])COc1cccc(/C=C2\CCOc3ccc(F)cc3C2=O)c1 ZINC000363536906 457360057 /nfs/dbraw/zinc/36/00/57/457360057.db2.gz SOEJCPOEBVJCTF-MDWZMJQESA-N -1 0 342.322 3.338 20 30 EGEDRM N#CC(=C([O-])c1cc2cc(Cl)ccn2n1)c1cnc2ccccc2n1 ZINC000355402329 457370460 /nfs/dbraw/zinc/37/04/60/457370460.db2.gz CDDKZBXTXUTWRD-CYBMUJFWSA-N -1 0 347.765 3.421 20 30 EGEDRM CCOC(=O)c1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)cc1 ZINC000355403385 457370703 /nfs/dbraw/zinc/37/07/03/457370703.db2.gz IYBPKAHGZBDSIV-OAHLLOKOSA-N -1 0 345.358 3.297 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2cc(C)c(N(C)C)cc2C#N)cc1F ZINC000357397365 457494633 /nfs/dbraw/zinc/49/46/33/457494633.db2.gz CWEXQPRZAYQDJC-UHFFFAOYSA-N -1 0 347.415 3.181 20 30 EGEDRM Cc1cn2cc(C([O-])=C(C#N)c3nc4c(cccc4C)[nH]3)sc2n1 ZINC000356420027 457616675 /nfs/dbraw/zinc/61/66/75/457616675.db2.gz OAOGTZSKKGTGCJ-NSHDSACASA-N -1 0 335.392 3.379 20 30 EGEDRM N#C[C@H]1CC[C@@H](NC(=O)N=c2nc(-c3ccccc3Cl)[n-]s2)C1 ZINC000425671895 457626878 /nfs/dbraw/zinc/62/68/78/457626878.db2.gz UULMCMBKZAXKSM-VHSXEESVSA-N -1 0 347.831 3.094 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2OCC2CC2)cc1F ZINC000427282344 457970658 /nfs/dbraw/zinc/97/06/58/457970658.db2.gz DVJJOJMNYLCMPX-UHFFFAOYSA-N -1 0 346.383 3.287 20 30 EGEDRM CC(C)c1scnc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000427332728 457975500 /nfs/dbraw/zinc/97/55/00/457975500.db2.gz WTOYRGKPJPHXNF-UHFFFAOYSA-N -1 0 325.390 3.078 20 30 EGEDRM CCOC(=O)c1csc([C@@H](C#N)C(=O)c2cc(C)n(CC)c2C)n1 ZINC000358653455 458131018 /nfs/dbraw/zinc/13/10/18/458131018.db2.gz SLSRIXQAHRUIST-ZDUSSCGKSA-N -1 0 345.424 3.248 20 30 EGEDRM CC(=O)c1ccc([O-])c(NC(=O)c2cc(-c3cccc(C#N)c3)no2)c1 ZINC000447549835 458309322 /nfs/dbraw/zinc/30/93/22/458309322.db2.gz LGGNOYGRVGVGSQ-UHFFFAOYSA-N -1 0 347.330 3.374 20 30 EGEDRM CCCc1c([N-]S(=O)(=O)[C@@H](C#N)CC)cnn1-c1ccccc1C ZINC000416953086 458358294 /nfs/dbraw/zinc/35/82/94/458358294.db2.gz HEOLFLSSMYHZRE-CQSZACIVSA-N -1 0 346.456 3.177 20 30 EGEDRM C=C(C)COCCNC(=O)c1cc(Br)cc(Cl)c1[O-] ZINC000436956816 458412148 /nfs/dbraw/zinc/41/21/48/458412148.db2.gz PGYOVAYHFVJPNN-UHFFFAOYSA-N -1 0 348.624 3.131 20 30 EGEDRM N#C[C@H]1N(C(=O)c2ccc([O-])c(Cl)c2)CCC[C@@]12CCCCO2 ZINC000377274490 458495120 /nfs/dbraw/zinc/49/51/20/458495120.db2.gz ZSKCAMLOMNGZHE-WBVHZDCISA-N -1 0 334.803 3.113 20 30 EGEDRM N#CC(=C([O-])c1cc2n(n1)CCCC2)c1ccc(C(F)(F)F)cn1 ZINC000453578478 458536350 /nfs/dbraw/zinc/53/63/50/458536350.db2.gz YSEDETHKFUCICM-LBPRGKRZSA-N -1 0 334.301 3.123 20 30 EGEDRM N#CC(=C([O-])c1cc2n(n1)CCCC2)c1cc(C(F)(F)F)ccn1 ZINC000453793213 458545627 /nfs/dbraw/zinc/54/56/27/458545627.db2.gz MGBDWPHNKVOWCG-GFCCVEGCSA-N -1 0 334.301 3.123 20 30 EGEDRM CCC(CC)(CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1)C(=O)[O-] ZINC000424422409 458639951 /nfs/dbraw/zinc/63/99/51/458639951.db2.gz FUGLICKOUFDGQS-UHFFFAOYSA-N -1 0 343.427 3.123 20 30 EGEDRM C=C(C)C[C@H](C)C(=O)N[C@H](C(=O)[O-])c1ccc(OC(F)F)cc1 ZINC000439932554 458767480 /nfs/dbraw/zinc/76/74/80/458767480.db2.gz XIZXPJXMFGKAIR-GWCFXTLKSA-N -1 0 327.327 3.132 20 30 EGEDRM COc1cc([N+](=O)[O-])ccc1C([O-])=C(C#N)c1cnc2ccccc2n1 ZINC000495252827 458821228 /nfs/dbraw/zinc/82/12/28/458821228.db2.gz UWIKVDGBUDJPJW-ZDUSSCGKSA-N -1 0 348.318 3.037 20 30 EGEDRM C=CCC[C@H](NC(=O)N[C@@H](C)c1cccc(OC(C)C)c1)C(=O)[O-] ZINC000520352550 459051878 /nfs/dbraw/zinc/05/18/78/459051878.db2.gz JBAIRQPLFKHCIW-BBRMVZONSA-N -1 0 334.416 3.253 20 30 EGEDRM C=C(C)[C@H]1OCC[C@H]1CNc1ncnc2sc(C(=O)[O-])c(C)c21 ZINC000577638182 459065903 /nfs/dbraw/zinc/06/59/03/459065903.db2.gz POUKYKUMWBLMOF-CMPLNLGQSA-N -1 0 333.413 3.091 20 30 EGEDRM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cnc(C(C)C)s3)nc1-2 ZINC000532561914 459109910 /nfs/dbraw/zinc/10/99/10/459109910.db2.gz VXNZUDXBVUYVGS-SNVBAGLBSA-N -1 0 325.397 3.336 20 30 EGEDRM C=C[C@@H](CCC(=O)[O-])NC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000578319088 459181436 /nfs/dbraw/zinc/18/14/36/459181436.db2.gz KZTMZUKWANEOIH-KRWDZBQOSA-N -1 0 330.428 3.070 20 30 EGEDRM CC(C)(C)OC(=O)NC(C)(C)CN=Nc1ccc(C(=O)[O-])c(F)c1 ZINC000496425514 459189973 /nfs/dbraw/zinc/18/99/73/459189973.db2.gz QMBGGGMEPZGFEH-UHFFFAOYSA-N -1 0 339.367 3.225 20 30 EGEDRM CC(C)C[C@H](CNC(=O)N[C@@H](C)c1ccc(C#N)cc1)CC(=O)[O-] ZINC000595260518 459263615 /nfs/dbraw/zinc/26/36/15/459263615.db2.gz ANWWHNDJHZQNLL-ZFWWWQNUSA-N -1 0 331.416 3.055 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cncc3ccccc32)c(F)c1 ZINC000534673524 459345826 /nfs/dbraw/zinc/34/58/26/459345826.db2.gz ULNKJIGGORIWIQ-UHFFFAOYSA-N -1 0 327.340 3.046 20 30 EGEDRM COc1ccc(/C=C/c2cc(C(=O)[O-])ncn2)cc1OCCCC#N ZINC000534879402 459353687 /nfs/dbraw/zinc/35/36/87/459353687.db2.gz HUYPOHWVLXMIIE-GQCTYLIASA-N -1 0 339.351 3.036 20 30 EGEDRM C=CC[C@H](CC)NC(=O)N[C@@H](C(=O)[O-])c1ccc(OC(F)F)cc1 ZINC000560487202 459356906 /nfs/dbraw/zinc/35/69/06/459356906.db2.gz UPQXNDRJALCFRD-WCQYABFASA-N -1 0 342.342 3.068 20 30 EGEDRM O=C(Nc1cccc(C#Cc2ccccn2)c1)c1cccc2n[nH]nc21 ZINC000540963268 459411738 /nfs/dbraw/zinc/41/17/38/459411738.db2.gz KCIYJIODEQYYLB-UHFFFAOYSA-N -1 0 339.358 3.005 20 30 EGEDRM N#CC1(c2cccc(-c3cc(C(=O)[O-])ccc3CO)c2)CCOCC1 ZINC000569623876 459482651 /nfs/dbraw/zinc/48/26/51/459482651.db2.gz UWUXFWKDLYPRLZ-UHFFFAOYSA-N -1 0 337.375 3.116 20 30 EGEDRM Cc1nn(C(C)(C)C)cc1C([O-])=C(C#N)c1nc2[nH]ccc(C)c-2n1 ZINC000542332637 459549250 /nfs/dbraw/zinc/54/92/50/459549250.db2.gz NDGZKJHNKHEOEZ-LBPRGKRZSA-N -1 0 336.399 3.016 20 30 EGEDRM C=CCCCS(=O)(=O)[N-][C@@H](CCc1ccccc1)C(F)(F)F ZINC000489693785 459569553 /nfs/dbraw/zinc/56/95/53/459569553.db2.gz WUZLNBQIQTXMOO-AWEZNQCLSA-N -1 0 335.391 3.436 20 30 EGEDRM Cn1ccc2c1cccc2[N-]S(=O)(=O)c1ccccc1CC#N ZINC000527247289 459616170 /nfs/dbraw/zinc/61/61/70/459616170.db2.gz GWSOKQBQAOETRU-UHFFFAOYSA-N -1 0 325.393 3.045 20 30 EGEDRM C=C(C)[C@H]1OCC[C@H]1CNc1nc(C)nc2sc(C(=O)[O-])c(C)c21 ZINC000573254040 459649917 /nfs/dbraw/zinc/64/99/17/459649917.db2.gz OBYZVFQFFYEEQZ-WCQYABFASA-N -1 0 347.440 3.399 20 30 EGEDRM CCC(C#N)(CC)C(=O)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000528909294 459816640 /nfs/dbraw/zinc/81/66/40/459816640.db2.gz XTWHAKOSWKQGDX-UHFFFAOYSA-N -1 0 349.239 3.128 20 30 EGEDRM C=CC[C@H]1N(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CCCC1(C)C ZINC000597162997 459858494 /nfs/dbraw/zinc/85/84/94/459858494.db2.gz ZTUPQPBFZWPNQN-OAHLLOKOSA-N -1 0 346.383 3.500 20 30 EGEDRM C=C[C@@H](CC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)c1ccccc1 ZINC000621616375 459984502 /nfs/dbraw/zinc/98/45/02/459984502.db2.gz PBOSOXNCHPFBBW-XAUMDUMWSA-N -1 0 327.424 3.450 20 30 EGEDRM C=C[C@H]1CCCCN1C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000614132448 460022888 /nfs/dbraw/zinc/02/28/88/460022888.db2.gz IHGWSNYVYSXKHY-ZDUSSCGKSA-N -1 0 331.803 3.412 20 30 EGEDRM C[C@@H](NC(=O)Nc1cccc(CC#N)c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000593958359 460028236 /nfs/dbraw/zinc/02/82/36/460028236.db2.gz TZETXWVYMNXJJE-BYCMXARLSA-N -1 0 329.400 3.010 20 30 EGEDRM N#CCc1cccc(S(=O)(=O)[N-]c2nc3ccccc3s2)c1 ZINC000589585801 460106722 /nfs/dbraw/zinc/10/67/22/460106722.db2.gz KUWWFECEMLFJLR-UHFFFAOYSA-N -1 0 329.406 3.163 20 30 EGEDRM CCN(C(=O)N=c1[n-]n(C)cc1C#N)[C@H](C)c1cc2ccccc2o1 ZINC000610560629 460183901 /nfs/dbraw/zinc/18/39/01/460183901.db2.gz HJNAKOYQFARGPB-GFCCVEGCSA-N -1 0 337.383 3.075 20 30 EGEDRM N#Cc1ccc(NC(=O)C[C@H](C(=O)[O-])c2ccccc2)c(Cl)c1 ZINC000610853435 460248007 /nfs/dbraw/zinc/24/80/07/460248007.db2.gz OBFQQBZCXSPJKW-ZDUSSCGKSA-N -1 0 328.755 3.409 20 30 EGEDRM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2cccc(CC#N)c2)n[nH]1 ZINC000619463333 460363500 /nfs/dbraw/zinc/36/35/00/460363500.db2.gz KBNXKKRWDRLJEO-GFCCVEGCSA-N -1 0 332.429 3.180 20 30 EGEDRM C=C[C@@H](Sc1n[n-]c(=Nc2cccc(C)c2C)s1)C(=O)OC ZINC000619686364 460411742 /nfs/dbraw/zinc/41/17/42/460411742.db2.gz BXAIJANIRWBVSD-GFCCVEGCSA-N -1 0 335.454 3.140 20 30 EGEDRM O=C([O-])CC1(NC(=O)Nc2cccc(C#Cc3ccccn3)c2)CCC1 ZINC000649539616 461160120 /nfs/dbraw/zinc/16/01/20/461160120.db2.gz APKKQKUGXVUABY-UHFFFAOYSA-N -1 0 349.390 3.000 20 30 EGEDRM C=C(C)C[C@H](C)C(=O)N[C@@H](CC(=O)[O-])Cc1cc(F)c(F)cc1F ZINC000666370660 461598060 /nfs/dbraw/zinc/59/80/60/461598060.db2.gz PCYOLXZTXONVMN-CMPLNLGQSA-N -1 0 343.345 3.208 20 30 EGEDRM C=CCCn1cc(CNc2ccc(S[C@H](C)C(=O)[O-])cc2)nn1 ZINC000656567125 461787926 /nfs/dbraw/zinc/78/79/26/461787926.db2.gz DHKWAYFYZYKIBB-GFCCVEGCSA-N -1 0 332.429 3.032 20 30 EGEDRM CCc1csc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)n1 ZINC000069630630 463292288 /nfs/dbraw/zinc/29/22/88/463292288.db2.gz BTMPIIRGRKWTCM-UHFFFAOYSA-N -1 0 327.818 3.031 20 30 EGEDRM C=CCC1(C(=O)NC[C@H](Cc2ccc(OCC)cc2)C(=O)[O-])CCC1 ZINC000263095191 534589511 /nfs/dbraw/zinc/58/95/11/534589511.db2.gz IGNYKYZZGAQYIR-INIZCTEOSA-N -1 0 345.439 3.191 20 30 EGEDRM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1cccc(C#N)c1C ZINC000181734851 534861341 /nfs/dbraw/zinc/86/13/41/534861341.db2.gz ZOASMUCWWQYAEB-UHFFFAOYSA-N -1 0 346.456 3.137 20 30 EGEDRM C=CCCCCCN(C)C(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1 ZINC000175125142 527127302 /nfs/dbraw/zinc/12/73/02/527127302.db2.gz JEFASTKRBXERHT-UHFFFAOYSA-N -1 0 327.428 3.292 20 30 EGEDRM O=C(CC[C@@H]1CCCO1)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000058168872 527159632 /nfs/dbraw/zinc/15/96/32/527159632.db2.gz QVXKLHSBIOXMFZ-JTQLQIEISA-N -1 0 335.784 3.084 20 30 EGEDRM Cn1c(Cl)nc(Cl)c1/C=C\C(=O)c1csc(C(=O)[O-])c1 ZINC000730149336 574925883 /nfs/dbraw/zinc/92/58/83/574925883.db2.gz VRGWXPKDBLXWRT-IHWYPQMZSA-N -1 0 331.180 3.383 20 30 EGEDRM CSc1ccc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000738199635 574929452 /nfs/dbraw/zinc/92/94/52/574929452.db2.gz OWTCHWVSQLJYAT-OAHLLOKOSA-N -1 0 327.361 3.263 20 30 EGEDRM Cc1ccc(O[C@H](C)C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000738640273 575005526 /nfs/dbraw/zinc/00/55/26/575005526.db2.gz XMMZNLHNPOMPCE-DYVFJYSZSA-N -1 0 339.347 3.003 20 30 EGEDRM Cc1c(C(=O)/C=C\c2ccc([N+](=O)[O-])c([O-])c2)c(C#N)c2n1CCC2 ZINC000731939090 575223007 /nfs/dbraw/zinc/22/30/07/575223007.db2.gz USUMQDCVSCPNMK-ALCCZGGFSA-N -1 0 337.335 3.124 20 30 EGEDRM CCOc1cccc(C(=O)/C=C/c2cccc(OCC(=O)[O-])c2)c1 ZINC000733205987 575319376 /nfs/dbraw/zinc/31/93/76/575319376.db2.gz AKLBIXOYFUZTKD-MDZDMXLPSA-N -1 0 326.348 3.445 20 30 EGEDRM C=CCCOC(=O)c1ccc(-n2nc(C)c(CCC(=O)[O-])c2C)cc1 ZINC000736102748 575896574 /nfs/dbraw/zinc/89/65/74/575896574.db2.gz VWFBVVPZHQAQLC-UHFFFAOYSA-N -1 0 342.395 3.239 20 30 EGEDRM C=CCN(Cc1cccs1)C(=O)[C@@H](C)SC[C@H](C)C(=O)[O-] ZINC000736108461 575896968 /nfs/dbraw/zinc/89/69/68/575896968.db2.gz HHHJVNUVADSNDL-NWDGAFQWSA-N -1 0 327.471 3.105 20 30 EGEDRM C=CCN(CC=C)C(=O)[C@H](C)Sc1nc2ccc(C(=O)[O-])cc2o1 ZINC000736108304 575897005 /nfs/dbraw/zinc/89/70/05/575897005.db2.gz SQUWIZQGNJADEW-NSHDSACASA-N -1 0 346.408 3.207 20 30 EGEDRM C#CCOc1cccc(NC(=O)N[C@H](CC(=O)[O-])c2cccs2)c1 ZINC000736089551 575898190 /nfs/dbraw/zinc/89/81/90/575898190.db2.gz MQJHRJGEKGELGH-CQSZACIVSA-N -1 0 344.392 3.098 20 30 EGEDRM C=CCSc1ccccc1NC(=O)CSC[C@H](C)C(=O)[O-] ZINC000736114776 575900730 /nfs/dbraw/zinc/90/07/30/575900730.db2.gz RIPJPWSAEHFPCP-NSHDSACASA-N -1 0 325.455 3.357 20 30 EGEDRM CC(C)[C@H](NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)C(=O)[O-] ZINC000736388710 575948612 /nfs/dbraw/zinc/94/86/12/575948612.db2.gz CRABLKVKLYZYEW-KRWDZBQOSA-N -1 0 338.363 3.190 20 30 EGEDRM C[C@H](CC(=O)[O-])S[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000736553740 575983496 /nfs/dbraw/zinc/98/34/96/575983496.db2.gz UEIIIWYITMZCHS-BDAKNGLRSA-N -1 0 338.454 3.032 20 30 EGEDRM C[C@H](Cc1cccc(F)c1)C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736626139 575995254 /nfs/dbraw/zinc/99/52/54/575995254.db2.gz KHGQEHLMQFBJBN-PXAZEXFGSA-N -1 0 341.338 3.245 20 30 EGEDRM C[C@H](NC(=O)Nc1ccc(F)c(C(=O)[O-])c1)c1ccc(C#N)cc1 ZINC000736649260 575996321 /nfs/dbraw/zinc/99/63/21/575996321.db2.gz PXXMGLWDNWMRSO-JTQLQIEISA-N -1 0 327.315 3.278 20 30 EGEDRM C[C@H](OC(=O)CSc1ccc(C#N)cc1)c1ccc(C(=O)[O-])o1 ZINC000736693223 576007666 /nfs/dbraw/zinc/00/76/66/576007666.db2.gz NNELKXBSNIVKCH-JTQLQIEISA-N -1 0 331.349 3.246 20 30 EGEDRM CCCCc1ccc(NC(=O)C=NOCc2cc(C(=O)[O-])co2)cc1 ZINC000737003242 576075464 /nfs/dbraw/zinc/07/54/64/576075464.db2.gz FIXCLNUVZIORSH-UHFFFAOYSA-N -1 0 344.367 3.462 20 30 EGEDRM CCN(C(=O)[C@H](C)Oc1ccc(C#N)cc1)c1ccccc1C(=O)[O-] ZINC000737049165 576090139 /nfs/dbraw/zinc/09/01/39/576090139.db2.gz CKAFJVHPKWHOTH-ZDUSSCGKSA-N -1 0 338.363 3.077 20 30 EGEDRM CCN(CC(=O)[O-])C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 ZINC000737076430 576103629 /nfs/dbraw/zinc/10/36/29/576103629.db2.gz OKKZWDLFVMFARV-UHFFFAOYSA-N -1 0 338.363 3.092 20 30 EGEDRM CCOc1ccc(/C=N/[C@@H](CC(=O)[O-])c2ccc(OC)cc2)c(O)c1 ZINC000737200414 576135256 /nfs/dbraw/zinc/13/52/56/576135256.db2.gz RZFMKIYOMKENAF-RONKMWSCSA-N -1 0 343.379 3.434 20 30 EGEDRM CCc1[nH]c(C(=O)O[C@@H](C)c2cccc(C#N)c2)c(C)c1C(=O)[O-] ZINC000737244734 576147672 /nfs/dbraw/zinc/14/76/72/576147672.db2.gz CUDAVLUQBYCNGO-NSHDSACASA-N -1 0 326.352 3.373 20 30 EGEDRM COc1cccc(O)c1C=Nc1cccc(CSCC(=O)[O-])c1 ZINC000738105634 576288936 /nfs/dbraw/zinc/28/89/36/576288936.db2.gz FBLJBTQDPXYPPW-UHFFFAOYSA-N -1 0 331.393 3.469 20 30 EGEDRM Cc1cc(C(=O)[O-])c(NC(=O)CSc2ccc(C#N)cc2)s1 ZINC000738222570 576301959 /nfs/dbraw/zinc/30/19/59/576301959.db2.gz YZXZDOGXJZSSEC-UHFFFAOYSA-N -1 0 332.406 3.357 20 30 EGEDRM N#CC1(C(=O)N2CCC([C@H](CC(=O)[O-])c3ccccc3)CC2)CCC1 ZINC000738421421 576323604 /nfs/dbraw/zinc/32/36/04/576323604.db2.gz CSKGVCILFHUFCN-QGZVFWFLSA-N -1 0 340.423 3.177 20 30 EGEDRM N#Cc1cccc(OCCCCC(=O)Nc2ccccc2C(=O)[O-])c1 ZINC000738433409 576325520 /nfs/dbraw/zinc/32/55/20/576325520.db2.gz BBECMTVNSVRXKT-UHFFFAOYSA-N -1 0 338.363 3.444 20 30 EGEDRM N#Cc1ccc(SCC(=O)Nc2ccc(C(=O)[O-])cc2)c(F)c1 ZINC000738434354 576325783 /nfs/dbraw/zinc/32/57/83/576325783.db2.gz BKCGSMBPBOXMAA-UHFFFAOYSA-N -1 0 330.340 3.126 20 30 EGEDRM Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000738474443 576329487 /nfs/dbraw/zinc/32/94/87/576329487.db2.gz LXLMOBKJOQDANF-CVEARBPZSA-N -1 0 336.347 3.318 20 30 EGEDRM Cc1ccc(C(=O)[O-])cc1OCc1nnc(-c2cccc(C#N)c2)o1 ZINC000738540785 576335719 /nfs/dbraw/zinc/33/57/19/576335719.db2.gz OYPCYTJUOPWTOV-UHFFFAOYSA-N -1 0 335.319 3.194 20 30 EGEDRM Cc1ccc(N(CCC#N)C(=O)[C@H](C)SC[C@@H](C)C(=O)[O-])cc1 ZINC000738608141 576341431 /nfs/dbraw/zinc/34/14/31/576341431.db2.gz CWNABBUUUYIOQH-KGLIPLIRSA-N -1 0 334.441 3.084 20 30 EGEDRM Cc1cccc2[nH]c([C@H](C#N)C(=O)c3cccc(NC(=O)[O-])c3)nc21 ZINC000738747354 576358738 /nfs/dbraw/zinc/35/87/38/576358738.db2.gz UTFLTMSCPNFRDJ-CYBMUJFWSA-N -1 0 334.335 3.451 20 30 EGEDRM Cc1csc([C@H]2CCCN2[C@H](C(=O)[O-])c2ccc(C#N)cc2)n1 ZINC000738817338 576363038 /nfs/dbraw/zinc/36/30/38/576363038.db2.gz YORBJNFSGCBZEM-CABCVRRESA-N -1 0 327.409 3.286 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@H](C)c2ccsc2)n1 ZINC000738827952 576363501 /nfs/dbraw/zinc/36/35/01/576363501.db2.gz SMWPKAASNVPUQR-PWSUYJOCSA-N -1 0 334.422 3.036 20 30 EGEDRM N#CC(C(=O)CCNC(=O)[O-])c1nc(-c2ccc(Cl)cc2)cs1 ZINC000739073655 576376854 /nfs/dbraw/zinc/37/68/54/576376854.db2.gz DXEWOVPQPRMQNJ-NSHDSACASA-N -1 0 349.799 3.297 20 30 EGEDRM N#CC(C(=O)CCSCC(=O)[O-])c1nc(-c2ccccc2)cs1 ZINC000739075284 576376917 /nfs/dbraw/zinc/37/69/17/576376917.db2.gz RCQIKIJUYFNVNQ-GFCCVEGCSA-N -1 0 346.433 3.194 20 30 EGEDRM N#CC(C(=O)[C@H]1C[C@@H]1C(=O)[O-])c1nc(-c2ccc(Cl)cc2)cs1 ZINC000739076067 576376996 /nfs/dbraw/zinc/37/69/96/576376996.db2.gz YFJQTGSABMBKGN-SDDRHHMPSA-N -1 0 346.795 3.360 20 30 EGEDRM N#CCOc1ccc(Cl)cc1COc1ccc(C(=O)[O-])cc1C=O ZINC000739087619 576377404 /nfs/dbraw/zinc/37/74/04/576377404.db2.gz LCHNXMPBYIPEGB-UHFFFAOYSA-N -1 0 345.738 3.332 20 30 EGEDRM N#Cc1ccc([C@H](Nc2ccn(Cc3ccccc3)n2)C(=O)[O-])cc1 ZINC000739112002 576378587 /nfs/dbraw/zinc/37/85/87/576378587.db2.gz XKTDGACUNJGFNK-SFHVURJKSA-N -1 0 332.363 3.041 20 30 EGEDRM C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000741657885 576708960 /nfs/dbraw/zinc/70/89/60/576708960.db2.gz GCZAOAAZKZSDDA-UHFFFAOYSA-N -1 0 339.775 3.292 20 30 EGEDRM C[C@H](Oc1cccc(/C=C2/CCc3c(O)cccc3C2=O)c1)C(=O)[O-] ZINC000742434438 576784070 /nfs/dbraw/zinc/78/40/70/576784070.db2.gz HJNUYTSRMOPJBS-GVIGZQTCSA-N -1 0 338.359 3.457 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cnc2ccsc2c1 ZINC000744022346 576818987 /nfs/dbraw/zinc/81/89/87/576818987.db2.gz MFGHCUYHLKNQOX-CYBMUJFWSA-N -1 0 329.425 3.315 20 30 EGEDRM CCO[C@H](C)c1ncc(C([O-])=C(C#N)C(=O)NC2CCCCC2)s1 ZINC000744027410 576819108 /nfs/dbraw/zinc/81/91/08/576819108.db2.gz SUUUVGUYRLBYET-YPMHNXCESA-N -1 0 349.456 3.012 20 30 EGEDRM CC(=NNc1[n-]cnc2ncnc1-2)c1ccc(-c2ccncc2)cc1 ZINC000745196193 576843368 /nfs/dbraw/zinc/84/33/68/576843368.db2.gz JTNZOJMALDXCJK-UHFFFAOYSA-N -1 0 329.367 3.251 20 30 EGEDRM N#Cc1ccccc1Oc1ccc(NC(=O)NCCCC(=O)[O-])cc1 ZINC000819111549 597306492 /nfs/dbraw/zinc/30/64/92/597306492.db2.gz YKFWPHKEXGMROU-UHFFFAOYSA-N -1 0 339.351 3.337 20 30 EGEDRM COc1cc(C(=O)/C=C\c2cccc(C(=O)[O-])c2)c(OC)cc1O ZINC000774134567 598201751 /nfs/dbraw/zinc/20/17/51/598201751.db2.gz DAUGPUPEMTUSRQ-SREVYHEPSA-N -1 0 328.320 3.004 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1nc2c(ccc3ccccc23)s1 ZINC000819864729 598221787 /nfs/dbraw/zinc/22/17/87/598221787.db2.gz CKUKMFDSTMJGHX-QGZVFWFLSA-N -1 0 339.376 3.393 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1nc(-c2ccccc2Cl)cs1 ZINC000819865720 598221837 /nfs/dbraw/zinc/22/18/37/598221837.db2.gz NYJIQWSTPGDIPD-HNNXBMFYSA-N -1 0 349.799 3.407 20 30 EGEDRM CCc1ccc(-c2csc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])n2)cc1 ZINC000820480124 598221894 /nfs/dbraw/zinc/22/18/94/598221894.db2.gz USDRGVFPFIFFRC-QGZVFWFLSA-N -1 0 343.408 3.316 20 30 EGEDRM Cc1ccc(-c2csc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])n2)cc1 ZINC000821052228 598221963 /nfs/dbraw/zinc/22/19/63/598221963.db2.gz KXMAEPSVCVPEAP-MRXNPFEDSA-N -1 0 329.381 3.062 20 30 EGEDRM Cc1sc(NC(=O)[C@](C)(C#N)CC(=O)[O-])nc1-c1ccc(F)cc1 ZINC000821257722 598222335 /nfs/dbraw/zinc/22/23/35/598222335.db2.gz UOLUUNVVZZYFMR-INIZCTEOSA-N -1 0 347.371 3.201 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000819846451 598223103 /nfs/dbraw/zinc/22/31/03/598223103.db2.gz CTSKXKVTCXSMGT-LJQANCHMSA-N -1 0 349.346 3.438 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000819846637 598228347 /nfs/dbraw/zinc/22/83/47/598228347.db2.gz FIUISAZIOPQWSK-SFHVURJKSA-N -1 0 330.384 3.089 20 30 EGEDRM COc1ccc2cc([C@H](C)OC(=O)[C@](C)(C#N)CC(=O)[O-])ccc2c1 ZINC000820853659 598229365 /nfs/dbraw/zinc/22/93/65/598229365.db2.gz ORZQKNDWQPIOCE-BUXKBTBVSA-N -1 0 341.363 3.457 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)[C@@H]2C[C@H]2C2CCCCC2)C(=O)[O-])cc1 ZINC000833071830 600697290 /nfs/dbraw/zinc/69/72/90/600697290.db2.gz JCQIAESGJQIJFZ-BBWFWOEESA-N -1 0 327.380 3.444 20 30 EGEDRM N#Cc1ccccc1S[C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000833076288 600807320 /nfs/dbraw/zinc/80/73/20/600807320.db2.gz ARYOGMRICNNJHB-ZDUSSCGKSA-N -1 0 344.417 3.216 20 30 EGEDRM N#Cc1ccc(C(=O)N[C@H](CC(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000833071081 600808381 /nfs/dbraw/zinc/80/83/81/600808381.db2.gz WEOPVIIPCDPKEZ-OAHLLOKOSA-N -1 0 328.755 3.157 20 30 EGEDRM CCOc1ccc(N(CCC#N)C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000830080027 600838252 /nfs/dbraw/zinc/83/82/52/600838252.db2.gz DMBTWOAHKKIDDN-HUUCEWRRSA-N -1 0 344.411 3.223 20 30 EGEDRM N#Cc1ccccc1/C=C/C(=O)O[C@H](C(=O)[O-])c1ccccc1F ZINC000833074760 601096267 /nfs/dbraw/zinc/09/62/67/601096267.db2.gz BGCPGPIULCQBLV-FVNWOWOISA-N -1 0 325.295 3.080 20 30 EGEDRM C=CCCOCC(=O)O[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000825675784 601121594 /nfs/dbraw/zinc/12/15/94/601121594.db2.gz FVHUDQYKBWCCND-CYBMUJFWSA-N -1 0 333.167 3.255 20 30 EGEDRM N#Cc1nc(NC[C@@H](Cc2cccc(F)c2)C(=O)[O-])ccc1Cl ZINC000833079861 601252491 /nfs/dbraw/zinc/25/24/91/601252491.db2.gz ZZFYWVRZDCZWAY-LLVKDONJSA-N -1 0 333.750 3.101 20 30 EGEDRM C[C@@H]1CN([C@H](C(=O)[O-])c2cccc(C#N)c2)C[C@@H](c2ccccc2)O1 ZINC000828413655 601312118 /nfs/dbraw/zinc/31/21/18/601312118.db2.gz SXQPDEUYOIKAFD-CCKFTAQKSA-N -1 0 336.391 3.146 20 30 EGEDRM CC(C)c1ccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)c(O)c1 ZINC000827117341 601350001 /nfs/dbraw/zinc/35/00/01/601350001.db2.gz BMLZSLFWOQCMTC-QGZVFWFLSA-N -1 0 339.347 3.370 20 30 EGEDRM C/C(=C\c1ccc(F)cc1)C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000825798503 601355502 /nfs/dbraw/zinc/35/55/02/601355502.db2.gz NHHGNDDCCWZPQB-KQPPXVQYSA-N -1 0 339.322 3.470 20 30 EGEDRM CCCN(Cc1ccc(C#N)cc1)C(=O)NCC1(C(=O)[O-])CCCC1 ZINC000829496849 601422758 /nfs/dbraw/zinc/42/27/58/601422758.db2.gz RQYQFPXJNAVLON-UHFFFAOYSA-N -1 0 343.427 3.125 20 30 EGEDRM C/C(=C/c1ccc(F)cc1)C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000825798716 601472682 /nfs/dbraw/zinc/47/26/82/601472682.db2.gz UUTXOBMEUAXQSH-LUJNMSEFSA-N -1 0 339.322 3.470 20 30 EGEDRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)Nc1ccc(F)cc1C#N)c1ccccc1 ZINC000826037980 601628143 /nfs/dbraw/zinc/62/81/43/601628143.db2.gz CXIMZKKNHNNKCI-BDJLRTHQSA-N -1 0 341.342 3.281 20 30 EGEDRM N#Cc1cc(F)c(C(=O)Nc2cc(C(=O)[O-])ccc2Cl)c(F)c1 ZINC000833068727 601650708 /nfs/dbraw/zinc/65/07/08/601650708.db2.gz KVZYRPIZUTVDPI-UHFFFAOYSA-N -1 0 336.681 3.440 20 30 EGEDRM C=CCNC(=S)Nc1cc(C(=O)[O-])ccc1OCc1ccccc1 ZINC000825692102 601954460 /nfs/dbraw/zinc/95/44/60/601954460.db2.gz HYBLOJPQMYQPRJ-UHFFFAOYSA-N -1 0 342.420 3.436 20 30 EGEDRM N#Cc1cc(C(F)(F)F)ccc1C(=O)OCc1ccoc1C(=O)[O-] ZINC000833069190 602015818 /nfs/dbraw/zinc/01/58/18/602015818.db2.gz WSHOTWAOYHLVLF-UHFFFAOYSA-N -1 0 339.225 3.225 20 30 EGEDRM COc1cc(C(=O)/C=C/c2ccc(O[C@H](C)C(=O)[O-])cc2)ccc1O ZINC000794695510 602106685 /nfs/dbraw/zinc/10/66/85/602106685.db2.gz PCDQHLUZTJBBPN-BIPYJSMBSA-N -1 0 342.347 3.149 20 30 EGEDRM C[C@H](Oc1ccc(/C=C\C(=O)c2ccc3c(c2)CCO3)cc1)C(=O)[O-] ZINC000794700755 602107942 /nfs/dbraw/zinc/10/79/42/602107942.db2.gz YLTNKEMVTFMQHT-UKOWJOKBSA-N -1 0 338.359 3.370 20 30 EGEDRM CCC(=O)c1ccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000828573832 602270684 /nfs/dbraw/zinc/27/06/84/602270684.db2.gz DCEVONDHSDYBKZ-QGZVFWFLSA-N -1 0 337.331 3.134 20 30 EGEDRM C=C(C)CN(CC)C(=O)Nc1cc(C(=O)[O-])ccc1-n1cc(C)cn1 ZINC000833369401 604491269 /nfs/dbraw/zinc/49/12/69/604491269.db2.gz VLNFVULIUTVRHH-UHFFFAOYSA-N -1 0 342.399 3.309 20 30 EGEDRM C#CCOc1cc(F)ccc1NC(=O)Nc1cc(C(=O)[O-])cs1 ZINC000825625654 604501727 /nfs/dbraw/zinc/50/17/27/604501727.db2.gz KNQDFYFQPLQANY-UHFFFAOYSA-N -1 0 334.328 3.241 20 30 EGEDRM C#CCN(C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-])C1CCCC1 ZINC000825608766 604533374 /nfs/dbraw/zinc/53/33/74/604533374.db2.gz KIPUIZAOAJPAEQ-KRWDZBQOSA-N -1 0 342.439 3.426 20 30 EGEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H]1CC(=O)[O-] ZINC000825966484 604627325 /nfs/dbraw/zinc/62/73/25/604627325.db2.gz DYONBIXSYNANSU-STQMWFEESA-N -1 0 347.440 3.409 20 30 EGEDRM CCc1cc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)oc1CC ZINC000830213780 604697503 /nfs/dbraw/zinc/69/75/03/604697503.db2.gz FOVIAQHHMINKBT-MRXNPFEDSA-N -1 0 327.336 3.259 20 30 EGEDRM Cc1nc2sccn2c1C=NOCc1ccc(C(=O)[O-])cc1F ZINC000833756665 604701885 /nfs/dbraw/zinc/70/18/85/604701885.db2.gz NUZPPWSEDXFUGB-UHFFFAOYSA-N -1 0 333.344 3.092 20 30 EGEDRM C#CCOc1ccc(F)cc1NC(=O)CCc1ccccc1C(=O)[O-] ZINC000777362019 604760501 /nfs/dbraw/zinc/76/05/01/604760501.db2.gz FUNDYUVUXYLLAM-UHFFFAOYSA-N -1 0 341.338 3.107 20 30 EGEDRM Cc1cc(F)cc2c1ncc(C#N)c2NC[C@@H](C(=O)[O-])c1ccccc1 ZINC000832890586 604803521 /nfs/dbraw/zinc/80/35/21/604803521.db2.gz YBVQTRIMQQZECY-QGZVFWFLSA-N -1 0 349.365 3.256 20 30 EGEDRM C#CCOc1ccccc1[C@H](C)OC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000825631983 604882701 /nfs/dbraw/zinc/88/27/01/604882701.db2.gz PMUVLDQZASVGOD-LBPRGKRZSA-N -1 0 342.322 3.454 20 30 EGEDRM C=CCn1c(C)cc(C(=O)Cn2nc(C)c([C@H](C)C(=O)[O-])c2C)c1C ZINC000833380086 604925022 /nfs/dbraw/zinc/92/50/22/604925022.db2.gz UFTFGAFMABFBRL-LBPRGKRZSA-N -1 0 343.427 3.175 20 30 EGEDRM C[C@H]1CN(c2ccccc2C=[NH+][N-]c2ccccc2C(=O)[O-])CCO1 ZINC000833634990 605098520 /nfs/dbraw/zinc/09/85/20/605098520.db2.gz MNYZPIWNFTVFLJ-AWEZNQCLSA-N -1 0 339.395 3.056 20 30 EGEDRM C=CCN(Cc1ccccc1F)C(=O)Nc1cc(C)[nH]c1C(=O)[O-] ZINC000833376471 605126906 /nfs/dbraw/zinc/12/69/06/605126906.db2.gz WBYKXQPUENYVDD-UHFFFAOYSA-N -1 0 331.347 3.381 20 30 EGEDRM C=C(Cl)CNC(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000161178962 605128795 /nfs/dbraw/zinc/12/87/95/605128795.db2.gz MIBWLSPUNVKINI-UHFFFAOYSA-N -1 0 333.569 3.021 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1cc(CC)ccn1 ZINC000833379763 605146943 /nfs/dbraw/zinc/14/69/43/605146943.db2.gz MEQPUPUNUWGAQX-UHFFFAOYSA-N -1 0 341.363 3.299 20 30 EGEDRM C=CCOc1cccnc1C(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000833378991 605148113 /nfs/dbraw/zinc/14/81/13/605148113.db2.gz SMCJXBWIEIXLKG-UHFFFAOYSA-N -1 0 327.340 3.013 20 30 EGEDRM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)c1ccccc1 ZINC000833411201 605215365 /nfs/dbraw/zinc/21/53/65/605215365.db2.gz NFAPILZTVZEYST-KBXCAEBGSA-N -1 0 348.402 3.434 20 30 EGEDRM C=CCCC[C@H](C)NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000398076656 605250310 /nfs/dbraw/zinc/25/03/10/605250310.db2.gz PEFCCEHDVLGBLS-JTQLQIEISA-N -1 0 331.821 3.061 20 30 EGEDRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1ccc(Cl)c(C#N)c1)c1ccccc1 ZINC000833413743 605264436 /nfs/dbraw/zinc/26/44/36/605264436.db2.gz ZLPPJMSLNGMJLE-BDJLRTHQSA-N -1 0 342.782 3.403 20 30 EGEDRM C=C(C)[C@H](CC(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1)OCC ZINC000833367647 605302687 /nfs/dbraw/zinc/30/26/87/605302687.db2.gz PYPCBTDPHRQBDS-HKUYNNGSSA-N -1 0 341.407 3.453 20 30 EGEDRM C[C@H](Oc1ccc(C#N)cc1)C(=O)OCc1ccc(NC(=O)[O-])cc1 ZINC000833537586 605305039 /nfs/dbraw/zinc/30/50/39/605305039.db2.gz MBXWHVWGZCWJMP-LBPRGKRZSA-N -1 0 340.335 3.159 20 30 EGEDRM CC(=NNCCOC(C)C)c1cnc2sc(C(=O)[O-])c(C)c2c1 ZINC000833386408 605417713 /nfs/dbraw/zinc/41/77/13/605417713.db2.gz BLFTUORKFOZKKX-UHFFFAOYSA-N -1 0 335.429 3.042 20 30 EGEDRM C#CCN(Cc1ccc(F)cc1)C(=O)NCC1(C(=O)[O-])CCCCC1 ZINC000833364273 605439021 /nfs/dbraw/zinc/43/90/21/605439021.db2.gz ITMWEAHVKCATEJ-UHFFFAOYSA-N -1 0 346.402 3.006 20 30 EGEDRM Cc1ccc(C[C@@H](C)C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000833748434 605460494 /nfs/dbraw/zinc/46/04/94/605460494.db2.gz MZXXHYAGANHNNC-KDOFPFPSSA-N -1 0 337.375 3.414 20 30 EGEDRM CC(=NN[C@H]1CCO[C@H](C)C1)c1cnc2sc(C(=O)[O-])c(C)c2c1 ZINC000833386449 605581230 /nfs/dbraw/zinc/58/12/30/605581230.db2.gz GKUIDWCKVWHDAS-RNCFNFMXSA-N -1 0 347.440 3.184 20 30 EGEDRM CC1(C#N)CCN(C(=O)Nc2cccc(SCCC(=O)[O-])c2)CC1 ZINC000833550622 605715217 /nfs/dbraw/zinc/71/52/17/605715217.db2.gz BQGGTGNDRDHBLA-UHFFFAOYSA-N -1 0 347.440 3.411 20 30 EGEDRM C[C@H](C#N)Oc1ccccc1NCc1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000833402638 605730286 /nfs/dbraw/zinc/73/02/86/605730286.db2.gz RPBZZSZLOXSLSH-KGLIPLIRSA-N -1 0 340.379 3.441 20 30 EGEDRM C[C@@H](Oc1ccc(/C=C/C(=O)c2ccc(C#N)cc2F)cc1)C(=O)[O-] ZINC000794709479 605783515 /nfs/dbraw/zinc/78/35/15/605783515.db2.gz BGBNWRDMMUIDGI-BIPYJSMBSA-N -1 0 339.322 3.445 20 30 EGEDRM C=C(C)[C@@H](CC(=O)OCc1cc(C(=O)[O-])ccc1Cl)OCC ZINC000833368551 605819118 /nfs/dbraw/zinc/81/91/18/605819118.db2.gz KZGCEARZLHUNNT-CQSZACIVSA-N -1 0 326.776 3.453 20 30 EGEDRM [O-]c1c(Cl)cc(Cl)cc1/C=N/CCc1nnc2ccccn21 ZINC000017309544 1291181811 /nfs/dbraw/zinc/18/18/11/1291181811.db2.gz UNAXLAQXMQNATM-GIJQJNRQSA-N -1 0 335.194 3.403 20 30 EGEDRM C[C@@H](Oc1cccc(Cl)c1)C(=O)[N-]S(=O)(=O)c1ccccc1 ZINC000042232096 1291437064 /nfs/dbraw/zinc/43/70/64/1291437064.db2.gz FLFNWXKEWNWSKI-LLVKDONJSA-N -1 0 339.800 3.453 20 30 EGEDRM O=C(CSc1ccc(F)cc1)[N-]S(=O)(=O)c1cccs1 ZINC000042244322 1291438230 /nfs/dbraw/zinc/43/82/30/1291438230.db2.gz MBNCDNBQKWIMFB-UHFFFAOYSA-N -1 0 331.415 3.325 20 30 EGEDRM O=C(CSc1ccc(F)cc1)[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000042251202 1291438134 /nfs/dbraw/zinc/43/81/34/1291438134.db2.gz WQKBRLGNLQMADX-UHFFFAOYSA-N -1 0 343.376 3.402 20 30 EGEDRM C[C@H](Oc1ccccc1)C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000046708887 1291551719 /nfs/dbraw/zinc/55/17/19/1291551719.db2.gz HOSPGNVXKHBNAU-NSHDSACASA-N -1 0 339.800 3.453 20 30 EGEDRM CC[C@@H](C(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000046927708 1291556495 /nfs/dbraw/zinc/55/64/95/1291556495.db2.gz MLKHSACLZFZXMD-CYBMUJFWSA-N -1 0 348.380 3.434 20 30 EGEDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)COc1ccc2c(c1)CCC2 ZINC000046928053 1291556624 /nfs/dbraw/zinc/55/66/24/1291556624.db2.gz JQXDIURYJLNAIM-UHFFFAOYSA-N -1 0 345.420 3.208 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)Oc2ccccc2)c(C)c1 ZINC000046930017 1291557587 /nfs/dbraw/zinc/55/75/87/1291557587.db2.gz FZCAYXLBCFJSCT-CQSZACIVSA-N -1 0 333.409 3.416 20 30 EGEDRM CC(C)(C)n1nc(C(=O)[N-]S(=O)(=O)c2ccccc2)cc1C1CC1 ZINC000048407407 1291602907 /nfs/dbraw/zinc/60/29/07/1291602907.db2.gz HZSVSNYRYJQAGM-UHFFFAOYSA-N -1 0 347.440 3.209 20 30 EGEDRM O=C(CCCOCCc1ccccc1)[N-]S(=O)(=O)c1ccccc1 ZINC000048407201 1291603401 /nfs/dbraw/zinc/60/34/01/1291603401.db2.gz IHGBHQHQFSGFAA-UHFFFAOYSA-N -1 0 347.436 3.371 20 30 EGEDRM CCCCS(=O)(=O)[N-]C(=O)c1ccc(Br)cc1C ZINC000048518632 1291608716 /nfs/dbraw/zinc/60/87/16/1291608716.db2.gz WJATWURWPSAKRX-UHFFFAOYSA-N -1 0 334.235 3.192 20 30 EGEDRM O=C(C[C@H]1CCCO1)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000048519275 1291609070 /nfs/dbraw/zinc/60/90/70/1291609070.db2.gz CCNGGUTYVOVUDI-MRVPVSSYSA-N -1 0 338.212 3.208 20 30 EGEDRM CC(C)c1cccc(O[C@H](C)C(=O)[N-]S(=O)(=O)c2cccnc2)c1 ZINC000048532605 1291609991 /nfs/dbraw/zinc/60/99/91/1291609991.db2.gz LTGPYTJKVLPQEA-CYBMUJFWSA-N -1 0 348.424 3.318 20 30 EGEDRM CCCc1ccc(S(=O)(=O)[N-]C(=O)c2cccc(CC#N)c2)cc1 ZINC000048563502 1291610867 /nfs/dbraw/zinc/61/08/67/1291610867.db2.gz CROAFCOLGFGFQD-UHFFFAOYSA-N -1 0 342.420 3.399 20 30 EGEDRM COc1ccc(C(=O)[N-]S(=O)(=O)c2ccccc2Cl)cc1 ZINC000048575984 1291611238 /nfs/dbraw/zinc/61/12/38/1291611238.db2.gz AGUPMQTXUQCBJP-UHFFFAOYSA-N -1 0 325.773 3.042 20 30 EGEDRM O=C(Cc1ccc2c(c1)CCC2)[N-]S(=O)(=O)c1ccccc1F ZINC000048588009 1291612682 /nfs/dbraw/zinc/61/26/82/1291612682.db2.gz TXKGUYVPKIAEAR-UHFFFAOYSA-N -1 0 333.384 3.202 20 30 EGEDRM CC(C)S(=O)(=O)[N-]C(=O)C1(c2ccc(Br)cc2)CC1 ZINC000049417665 1291628855 /nfs/dbraw/zinc/62/88/55/1291628855.db2.gz YYSGTQVDSKAYID-UHFFFAOYSA-N -1 0 346.246 3.175 20 30 EGEDRM O=C(Cc1ccc(OC(F)F)cc1)[N-]S(=O)(=O)C1CCCCC1 ZINC000058077689 1291878763 /nfs/dbraw/zinc/87/87/63/1291878763.db2.gz ACQWNFMYXIMLRT-UHFFFAOYSA-N -1 0 347.383 3.450 20 30 EGEDRM Cc1ccc(F)cc1C(=O)[N-]S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000058151873 1291881221 /nfs/dbraw/zinc/88/12/21/1291881221.db2.gz UZONDVFQAIIVSL-UHFFFAOYSA-N -1 0 342.779 3.017 20 30 EGEDRM CCCCS(=O)(=O)[N-]C(=O)c1ccnc(OCc2ccccc2)c1 ZINC000066003126 1292103924 /nfs/dbraw/zinc/10/39/24/1292103924.db2.gz FKCDAYGUSJZDPD-UHFFFAOYSA-N -1 0 348.424 3.095 20 30 EGEDRM CC(C)CCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000069284115 1292239051 /nfs/dbraw/zinc/23/90/51/1292239051.db2.gz MEDMDJXMHRGPIU-ZDUSSCGKSA-N -1 0 339.457 3.272 20 30 EGEDRM C#Cc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C(C)C)c1 ZINC000071975512 1292271910 /nfs/dbraw/zinc/27/19/10/1292271910.db2.gz HAKXIXBIAOFCAA-UHFFFAOYSA-N -1 0 343.404 3.290 20 30 EGEDRM CCCCS(=O)(=O)[N-]C(=O)[C@H](C)Oc1ccc(F)cc1Cl ZINC000073087190 1292305283 /nfs/dbraw/zinc/30/52/83/1292305283.db2.gz RNLOREAGMCQSOX-VIFPVBQESA-N -1 0 337.800 3.333 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)CC[C@@H]2CC[C@@H](C)O2)cc1C ZINC000076757839 1292439878 /nfs/dbraw/zinc/43/98/78/1292439878.db2.gz HBWPPFFREGVNOI-KGLIPLIRSA-N -1 0 325.430 3.296 20 30 EGEDRM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)CC[C@@H]2CC[C@@H](C)O2)c1 ZINC000076757596 1292440347 /nfs/dbraw/zinc/44/03/47/1292440347.db2.gz DYNDQWZUAZXEPC-KGLIPLIRSA-N -1 0 325.430 3.296 20 30 EGEDRM O=C([N-]S(=O)(=O)c1cccs1)C1(c2ccccc2F)CC1 ZINC000077864835 1292488627 /nfs/dbraw/zinc/48/86/27/1292488627.db2.gz PPZDGCDYTOOANQ-UHFFFAOYSA-N -1 0 325.386 3.264 20 30 EGEDRM COc1csc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000080285508 1292593069 /nfs/dbraw/zinc/59/30/69/1292593069.db2.gz HUCJMHSRJDKODA-UHFFFAOYSA-N -1 0 349.792 3.243 20 30 EGEDRM CC(C)c1csc(C(C#N)=C([O-])c2cnn(-c3ccccc3)n2)n1 ZINC000080451340 1292604823 /nfs/dbraw/zinc/60/48/23/1292604823.db2.gz KYLQKBRJIZNIBR-CYBMUJFWSA-N -1 0 337.408 3.337 20 30 EGEDRM COc1ccc(CCCC(=O)[N-]S(=O)(=O)C2CCCC2)cc1 ZINC000086054258 1292727825 /nfs/dbraw/zinc/72/78/25/1292727825.db2.gz YZOJXYLVPUKJBQ-UHFFFAOYSA-N -1 0 325.430 3.247 20 30 EGEDRM CCCc1c(C(=O)[N-]S(=O)(=O)C2CCCC2)[nH]c(C)c1C(C)=O ZINC000086056305 1292728670 /nfs/dbraw/zinc/72/86/70/1292728670.db2.gz KUZJIDLXDBEVPH-UHFFFAOYSA-N -1 0 340.445 3.055 20 30 EGEDRM Cc1cc(C)c(OCC(=O)[N-]S(=O)(=O)C2CCCC2)c(C)c1 ZINC000086056537 1292728694 /nfs/dbraw/zinc/72/86/94/1292728694.db2.gz LNQFAVXFGDDMCY-UHFFFAOYSA-N -1 0 325.430 3.220 20 30 EGEDRM CC[C@@H](C)n1ncc(C(=O)[N-]S(=O)(=O)CCC(C)C)c1C1CC1 ZINC000089970402 1292782233 /nfs/dbraw/zinc/78/22/33/1292782233.db2.gz HBCJHQRKIYYZEF-GFCCVEGCSA-N -1 0 341.477 3.412 20 30 EGEDRM CC=C(C)C(=O)[N-]S(=O)(=O)c1ccc(C)cc1Br ZINC000089979563 1292782513 /nfs/dbraw/zinc/78/25/13/1292782513.db2.gz UQEBYENMFCLXTJ-WTKPLQERSA-N -1 0 332.219 3.369 20 30 EGEDRM CCCOc1cccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)c1 ZINC000105262178 1293031038 /nfs/dbraw/zinc/03/10/38/1293031038.db2.gz IWMQJNGQFYFGPQ-KRWDZBQOSA-N -1 0 328.412 3.247 20 30 EGEDRM CCCCCCC[C@H](CC(=O)[O-])NS(=O)(=O)c1ccc(C)o1 ZINC000844796642 1321647759 /nfs/dbraw/zinc/64/77/59/1321647759.db2.gz ZFWZQJOOPMJJAQ-CYBMUJFWSA-N -1 0 331.434 3.070 20 30 EGEDRM O=C(C/N=C/c1cc([N+](=O)[O-])ccc1[O-])OCc1ccccc1Cl ZINC000113006341 1293138832 /nfs/dbraw/zinc/13/88/32/1293138832.db2.gz OTDRCYXMTFWOSI-QGMBQPNBSA-N -1 0 348.742 3.116 20 30 EGEDRM CC[C@@H](C)CCN=Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cn1 ZINC000834939527 1293177675 /nfs/dbraw/zinc/17/76/75/1293177675.db2.gz HELUFHNRGZBRKO-CYBMUJFWSA-N -1 0 347.444 3.111 20 30 EGEDRM CN(C)[C@@H](C/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1c(F)cccc1F ZINC000114990716 1293180846 /nfs/dbraw/zinc/18/08/46/1293180846.db2.gz KTWXCUZNHHECIK-FULVDIRDSA-N -1 0 349.337 3.300 20 30 EGEDRM Cc1cc(CCCC(=O)C(C#N)=C([O-])c2nccn2C)c(C)s1 ZINC000122734938 1293423063 /nfs/dbraw/zinc/42/30/63/1293423063.db2.gz ICRCHVIJLCBUAF-AWEZNQCLSA-N -1 0 329.425 3.013 20 30 EGEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000123006474 1293431612 /nfs/dbraw/zinc/43/16/12/1293431612.db2.gz CHCZZZPIYIENFB-MRXNPFEDSA-N -1 0 337.423 3.242 20 30 EGEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1cccc(OC(F)F)c1 ZINC000127353258 1293560751 /nfs/dbraw/zinc/56/07/51/1293560751.db2.gz TUJUEIWWEAUKQP-CQSZACIVSA-N -1 0 336.338 3.059 20 30 EGEDRM CC(C)NC(=O)C(C#N)=C([O-])c1cnc(-c2ccccc2Cl)s1 ZINC000127668230 1293570487 /nfs/dbraw/zinc/57/04/87/1293570487.db2.gz RIDDNMJEKNIZOU-LLVKDONJSA-N -1 0 347.827 3.311 20 30 EGEDRM C=CCC(CC=C)C(=O)[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000135419006 1293794677 /nfs/dbraw/zinc/79/46/77/1293794677.db2.gz JUELQORBSBFBGK-UHFFFAOYSA-N -1 0 345.823 3.361 20 30 EGEDRM COCCOc1ccc(/C=C/C(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000136498590 1293816283 /nfs/dbraw/zinc/81/62/83/1293816283.db2.gz RUGRIEWTLXTZEK-XBXARRHUSA-N -1 0 343.335 3.222 20 30 EGEDRM C=CC[C@H](NC(=O)CSc1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000150203411 1293888961 /nfs/dbraw/zinc/88/89/61/1293888961.db2.gz CJLZNXYHCURCPS-JTQLQIEISA-N -1 0 334.224 3.231 20 30 EGEDRM COc1cc(C)cc2c1OC/C(=C\c1cc([O-])ccc1[N+](=O)[O-])C2=O ZINC000157277380 1294172801 /nfs/dbraw/zinc/17/28/01/1294172801.db2.gz UKTXGCGFABECCU-KPKJPENVSA-N -1 0 341.319 3.276 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)Cc2ccc(Br)c(F)c2)c1 ZINC000162354803 1294313726 /nfs/dbraw/zinc/31/37/26/1294313726.db2.gz JPFVLMRYWGNWRU-UHFFFAOYSA-N -1 0 349.159 3.347 20 30 EGEDRM Cc1ccc(Br)cc1C([O-])=C(C#N)C(=O)NC1CCCC1 ZINC000173998132 1294476093 /nfs/dbraw/zinc/47/60/93/1294476093.db2.gz SPKBILDYJZDUJF-CQSZACIVSA-N -1 0 349.228 3.139 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1occc1Br ZINC000176087276 1294589189 /nfs/dbraw/zinc/58/91/89/1294589189.db2.gz IWLCRMRLIDNYEC-JTQLQIEISA-N -1 0 341.205 3.061 20 30 EGEDRM CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1cc(C#N)ccc1[O-] ZINC000176819058 1294633405 /nfs/dbraw/zinc/63/34/05/1294633405.db2.gz FQJKEOPICSRGKW-GOSISDBHSA-N -1 0 347.374 3.167 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)c1 ZINC000178317975 1294728752 /nfs/dbraw/zinc/72/87/52/1294728752.db2.gz HPASAUVFIYICOE-UHFFFAOYSA-N -1 0 331.331 3.075 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cnc2ccc(F)cc2c1 ZINC000179604631 1294808664 /nfs/dbraw/zinc/80/86/64/1294808664.db2.gz KKOLAXINRNRRIK-OAHLLOKOSA-N -1 0 327.359 3.003 20 30 EGEDRM Cc1ccc(-c2ccsc2C(=O)[N-]S(=O)(=O)CCCC#N)cc1 ZINC000181275400 1294952692 /nfs/dbraw/zinc/95/26/92/1294952692.db2.gz GXKBHLUWQGBRSQ-UHFFFAOYSA-N -1 0 348.449 3.087 20 30 EGEDRM O=C1c2cc([N+](=O)[O-])ccc2CC/C1=C/c1ccc([N+](=O)[O-])c([O-])c1 ZINC000193154432 1295837234 /nfs/dbraw/zinc/83/72/34/1295837234.db2.gz FYSYHYIBKAIZCH-GHXNOFRVSA-N -1 0 340.291 3.421 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1csc(-c2ccc(C)o2)n1 ZINC000193382205 1295860225 /nfs/dbraw/zinc/86/02/25/1295860225.db2.gz DIZWBENOOAMYOW-LBPRGKRZSA-N -1 0 345.424 3.340 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)C(=O)NC2CC2)c(C)n1[C@@H](C)c1ccccc1 ZINC000193464067 1295872453 /nfs/dbraw/zinc/87/24/53/1295872453.db2.gz YAPQIGCYNUNXBF-IFXJQAMLSA-N -1 0 349.434 3.315 20 30 EGEDRM Cc1ccc(C(=O)/C=C\c2ccc([O-])c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000213076678 1296108747 /nfs/dbraw/zinc/10/87/47/1296108747.db2.gz TUOUJZROQPEUBK-UTCJRWHESA-N -1 0 328.280 3.413 20 30 EGEDRM C=CC[C@@H](NC(=O)Nc1cc(C)c(Br)c(C)c1)C(=O)[O-] ZINC000232044457 1296172197 /nfs/dbraw/zinc/17/21/97/1296172197.db2.gz HOHSJEFJXBTMTJ-LLVKDONJSA-N -1 0 341.205 3.217 20 30 EGEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N/[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c1[O-] ZINC000245518256 1296311364 /nfs/dbraw/zinc/31/13/64/1296311364.db2.gz AMYXCASLBYUQBM-TWXBZLDASA-N -1 0 336.775 3.330 20 30 EGEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000246010871 1296334767 /nfs/dbraw/zinc/33/47/67/1296334767.db2.gz RIYXTDFAYLAMOR-RCCFBDPRSA-N -1 0 343.386 3.269 20 30 EGEDRM O=C(/C=C\c1ccc(O)c(Br)c1)c1ccc(O)cc1[O-] ZINC000255273953 1296512953 /nfs/dbraw/zinc/51/29/53/1296512953.db2.gz YOXIGWQDHRYVTE-KTAJNNJTSA-N -1 0 335.153 3.462 20 30 EGEDRM COc1ccc(/C=C\C(=O)c2ccc(F)cc2[O-])c(OC)c1OC ZINC000255606026 1296552151 /nfs/dbraw/zinc/55/21/51/1296552151.db2.gz WLMKCOMFAYJTHB-YWEYNIOJSA-N -1 0 332.327 3.453 20 30 EGEDRM O=C([O-])CCOc1cccc(/C=C\C(=O)c2ccc(Cl)nc2)c1 ZINC000255897678 1296576653 /nfs/dbraw/zinc/57/66/53/1296576653.db2.gz OGLFFMJRPTUQJJ-XQRVVYSFSA-N -1 0 331.755 3.485 20 30 EGEDRM C=CCC[C@@H](NC(=O)c1sc(Cc2ccccc2)nc1C)C(=O)[O-] ZINC000262891472 1296653025 /nfs/dbraw/zinc/65/30/25/1296653025.db2.gz LLCJCNIAFOUCNA-CQSZACIVSA-N -1 0 344.436 3.192 20 30 EGEDRM COc1cccc(OC)c1/C=C\C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000588386597 1298055732 /nfs/dbraw/zinc/05/57/32/1298055732.db2.gz MBEMSBNZYMVTAM-CLFYSBASSA-N -1 0 329.308 3.214 20 30 EGEDRM O=C1c2ccc(F)cc2OCC/C1=C\c1ccc([O-])c([N+](=O)[O-])c1 ZINC000588419291 1298063119 /nfs/dbraw/zinc/06/31/19/1298063119.db2.gz CPVXRLSZQQAYHB-YRNVUSSQSA-N -1 0 329.283 3.488 20 30 EGEDRM O=C([O-])COc1cccc(/C=C2/COc3c(F)ccc(F)c3C2=O)c1 ZINC000588425865 1298066534 /nfs/dbraw/zinc/06/65/34/1298066534.db2.gz RKAWTXCVDQBFCB-WDZFZDKYSA-N -1 0 346.285 3.087 20 30 EGEDRM O=[N+]([O-])c1ccc(CN=Nc2ncc(Cl)cc2Cl)cc1[O-] ZINC000748130618 1298933165 /nfs/dbraw/zinc/93/31/65/1298933165.db2.gz BGLZMDVHKPUKNG-UHFFFAOYSA-N -1 0 327.127 3.448 20 30 EGEDRM Cc1nnc(NN=C2CCCSc3ccc(Cl)cc32)[n-]c1=O ZINC000748244941 1298966826 /nfs/dbraw/zinc/96/68/26/1298966826.db2.gz VMUANQAGJIUAIL-UHFFFAOYSA-N -1 0 335.820 3.241 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)c2ccc(OC3CCOCC3)cc2)c1 ZINC000748410143 1299002919 /nfs/dbraw/zinc/00/29/19/1299002919.db2.gz GZQJACYXYUBOSV-UHFFFAOYSA-N -1 0 338.363 3.074 20 30 EGEDRM COc1cccc(C#CCOC(=O)c2cc(-c3ccc(C)o3)[nH]n2)c1 ZINC000749038826 1299130816 /nfs/dbraw/zinc/13/08/16/1299130816.db2.gz YABFKSONRNPKEP-UHFFFAOYSA-N -1 0 336.347 3.195 20 30 EGEDRM COc1ccc2c(c1)O/C(=C\c1cccc(OCCC(=O)[O-])c1)C2=O ZINC000749132265 1299149913 /nfs/dbraw/zinc/14/99/13/1299149913.db2.gz LBUCPMVLDLDKQY-YVLHZVERSA-N -1 0 340.331 3.165 20 30 EGEDRM C[C@@H](CC#N)Sc1ccccc1[N-]C(=S)NC[C@@H]1CCOC1 ZINC000749709759 1299259492 /nfs/dbraw/zinc/25/94/92/1299259492.db2.gz ZPICCCPTRFNDCA-STQMWFEESA-N -1 0 335.498 3.404 20 30 EGEDRM CCc1ccc(C(=O)/C=C/c2ccc(OCC(=O)[O-])c(OC)c2)o1 ZINC000752237641 1299712316 /nfs/dbraw/zinc/71/23/16/1299712316.db2.gz HTCPKILCBIXDTK-QPJJXVBHSA-N -1 0 330.336 3.210 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2cnn(-c3ccc(Cl)cc3)n2)n1 ZINC000752471691 1299742956 /nfs/dbraw/zinc/74/29/56/1299742956.db2.gz XSEABLLLMMKUGD-GFCCVEGCSA-N -1 0 343.799 3.176 20 30 EGEDRM COc1cc(/C=C\C(=O)c2coc(C(C)C)n2)cc([N+](=O)[O-])c1[O-] ZINC000752888612 1299812101 /nfs/dbraw/zinc/81/21/01/1299812101.db2.gz MYDGOGGXTDWWOW-PLNGDYQASA-N -1 0 332.312 3.317 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2cc(Cl)ccc2Cl)C(=O)O1 ZINC000753715583 1300010012 /nfs/dbraw/zinc/01/00/12/1300010012.db2.gz SIFUNZKHVYDPMQ-JBQRSBCVSA-N -1 0 325.147 3.222 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1NN=Cc1cccc2c1OCCCO2 ZINC000756901010 1300586280 /nfs/dbraw/zinc/58/62/80/1300586280.db2.gz GGZSMUZWGOVCAI-UHFFFAOYSA-N -1 0 342.351 3.001 20 30 EGEDRM COCCC(=NNc1ccc(C(=O)[O-])cc1OC)c1ccc(F)cc1 ZINC000756905559 1300587590 /nfs/dbraw/zinc/58/75/90/1300587590.db2.gz DATIKLWCSPAHGU-UHFFFAOYSA-N -1 0 346.358 3.385 20 30 EGEDRM CC(=NNc1nc2cc(F)c(F)cc2[nH]1)c1cc(C(=O)[O-])ccc1O ZINC000757459993 1300671414 /nfs/dbraw/zinc/67/14/14/1300671414.db2.gz KUIHCSWWACVWMU-UHFFFAOYSA-N -1 0 346.293 3.081 20 30 EGEDRM C#CC[C@H](NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O)c1ccccc1 ZINC000757925101 1300759253 /nfs/dbraw/zinc/75/92/53/1300759253.db2.gz KZEPQGMCOTWQDB-HNNXBMFYSA-N -1 0 349.415 3.119 20 30 EGEDRM CC(N=Nc1ncnc2ccsc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000758118506 1300789448 /nfs/dbraw/zinc/78/94/48/1300789448.db2.gz PCEFGXGWMIWECO-UHFFFAOYSA-N -1 0 329.341 3.141 20 30 EGEDRM N#Cc1cnc([N-]S(=O)(=O)c2ccc(OC3CCCC3)cc2)s1 ZINC000759151591 1301026327 /nfs/dbraw/zinc/02/63/27/1301026327.db2.gz NPDSPWFUHSPYRH-UHFFFAOYSA-N -1 0 349.437 3.137 20 30 EGEDRM COc1cc(F)cc(NN=Cc2cccc(O[C@H](C)C(=O)[O-])c2)c1 ZINC000759213018 1301043431 /nfs/dbraw/zinc/04/34/31/1301043431.db2.gz TVRSNMHISRXHGD-LLVKDONJSA-N -1 0 332.331 3.132 20 30 EGEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)CC(C)(C)C ZINC000759237658 1301047848 /nfs/dbraw/zinc/04/78/48/1301047848.db2.gz KOZJQDSXWRHITO-LBPRGKRZSA-N -1 0 332.400 3.136 20 30 EGEDRM N#Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000759499660 1301103515 /nfs/dbraw/zinc/10/35/15/1301103515.db2.gz OGFCUEXLRHGEFV-UHFFFAOYSA-N -1 0 346.170 3.200 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2cc(C)c(F)c(C)c2)n1 ZINC000763881436 1301974417 /nfs/dbraw/zinc/97/44/17/1301974417.db2.gz MDGWLQFZRAYHTC-CYBMUJFWSA-N -1 0 346.383 3.241 20 30 EGEDRM COCCOc1ccc(C(=O)/C=C\c2cc(C(=O)[O-])cs2)cc1 ZINC000765822399 1302336124 /nfs/dbraw/zinc/33/61/24/1302336124.db2.gz ACTXFJSCWCZYKU-SREVYHEPSA-N -1 0 332.377 3.368 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccnn1C1CCCC1 ZINC000766244907 1302415169 /nfs/dbraw/zinc/41/51/69/1302415169.db2.gz XMZMXSWYIYGOOG-OAHLLOKOSA-N -1 0 330.432 3.017 20 30 EGEDRM Cc1cc(Cl)c2c(c1)C(=NNc1[n-]cnc3ncnc1-3)CCCO2 ZINC000767776742 1302761682 /nfs/dbraw/zinc/76/16/82/1302761682.db2.gz ONUQYEAHRAWINI-UHFFFAOYSA-N -1 0 342.790 3.304 20 30 EGEDRM CCCOc1ccc2[nH]cc(C=NNc3[n-]cnc4ncnc3-4)c2c1 ZINC000768359302 1302887279 /nfs/dbraw/zinc/88/72/79/1302887279.db2.gz CJPBGWYKJCGLAI-UHFFFAOYSA-N -1 0 335.371 3.069 20 30 EGEDRM O=C([O-])CCOc1cccc(C=NNc2ccc(F)c([N+](=O)[O-])c2)c1 ZINC000769828993 1303181953 /nfs/dbraw/zinc/18/19/53/1303181953.db2.gz NFVFQHWFTJGHHH-UHFFFAOYSA-N -1 0 347.302 3.033 20 30 EGEDRM COc1cc(/C=C\C(=O)c2ccc(CC(=O)[O-])cc2)ccc1[N+](=O)[O-] ZINC000770572911 1303286727 /nfs/dbraw/zinc/28/67/27/1303286727.db2.gz NHLOWBMEEMCJSX-UITAMQMPSA-N -1 0 341.319 3.127 20 30 EGEDRM C[C@@H](C(=O)C(C#N)=C([O-])c1nccn1C)c1ccccc1C(F)(F)F ZINC000770871514 1303323883 /nfs/dbraw/zinc/32/38/83/1303323883.db2.gz NIKGLZICNOWYLB-ZYHUDNBSSA-N -1 0 349.312 3.134 20 30 EGEDRM C=CCS(=O)(=O)[N-]C(=O)c1cc2sc3ccccc3c2s1 ZINC000772711027 1303567034 /nfs/dbraw/zinc/56/70/34/1303567034.db2.gz RNYWEBYKERCWFU-UHFFFAOYSA-N -1 0 337.447 3.362 20 30 EGEDRM COc1cc(C=NN[C@H]2CCCCC2(C)C)ccc1OCCC(=O)[O-] ZINC000773125686 1303629272 /nfs/dbraw/zinc/62/92/72/1303629272.db2.gz PYTMGLJCEPTSJJ-KRWDZBQOSA-N -1 0 348.443 3.441 20 30 EGEDRM O=C(/C=C/c1ccn(-c2ccccc2)n1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000773160183 1303635283 /nfs/dbraw/zinc/63/52/83/1303635283.db2.gz LODRCQLOLRHPJB-SOFGYWHQSA-N -1 0 335.319 3.382 20 30 EGEDRM C=CC(C)(C)CC(=O)N1CCC(c2nc(C)c(C(=O)[O-])s2)CC1 ZINC000887326698 1303744772 /nfs/dbraw/zinc/74/47/72/1303744772.db2.gz JYNFBOHAWJRGDR-UHFFFAOYSA-N -1 0 336.457 3.458 20 30 EGEDRM C#CCOc1ccccc1[N-]S(=O)(=O)c1ccc(OCC)c(C)c1 ZINC000775295390 1303936404 /nfs/dbraw/zinc/93/64/04/1303936404.db2.gz HVTJLJZVSAGWGC-UHFFFAOYSA-N -1 0 345.420 3.207 20 30 EGEDRM N#Cc1cccc([C@@H]2CN(C(=O)c3cccc(Cl)c3[O-])CCO2)c1 ZINC000775803007 1304040753 /nfs/dbraw/zinc/04/07/53/1304040753.db2.gz AIHNUPVCHSVZAT-INIZCTEOSA-N -1 0 342.782 3.131 20 30 EGEDRM COc1cc(F)cc(NN=C(C)c2cc(C(=O)[O-])c(C)nc2C)c1 ZINC000776726733 1304188243 /nfs/dbraw/zinc/18/82/43/1304188243.db2.gz TUAOJXBYYCPECO-UHFFFAOYSA-N -1 0 331.347 3.380 20 30 EGEDRM C=CCSc1ccccc1C(=O)[N-]S(=O)(=O)c1ccccc1 ZINC000777281508 1304279134 /nfs/dbraw/zinc/27/91/34/1304279134.db2.gz GFLLVQXMJXXGNG-UHFFFAOYSA-N -1 0 333.434 3.083 20 30 EGEDRM O=C(/C=C/c1cccc(Br)n1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000777921453 1304366300 /nfs/dbraw/zinc/36/63/00/1304366300.db2.gz YDCWPMQGWYRIOF-FNORWQNLSA-N -1 0 349.140 3.354 20 30 EGEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(C(F)F)c1 ZINC000780383700 1304684270 /nfs/dbraw/zinc/68/42/70/1304684270.db2.gz UHPBJXZXFCMSCZ-UHFFFAOYSA-N -1 0 338.335 3.305 20 30 EGEDRM CCOC(=O)Cc1ccc(C(=O)/C=C/c2cc(C(=O)[O-])cs2)cc1 ZINC000782201709 1304930362 /nfs/dbraw/zinc/93/03/62/1304930362.db2.gz XTLLHIKFFIKGOB-BQYQJAHWSA-N -1 0 344.388 3.448 20 30 EGEDRM Cc1cc(C=Nn2c(=S)[n-]nc2C(F)(F)F)cc2cccnc12 ZINC000783798938 1305147826 /nfs/dbraw/zinc/14/78/26/1305147826.db2.gz LEYGTKMFAOXIBU-UHFFFAOYSA-N -1 0 337.330 3.324 20 30 EGEDRM COc1cc(CN=Nc2ncccc2Cl)ccc1OCCC(=O)[O-] ZINC000783832705 1305149607 /nfs/dbraw/zinc/14/96/07/1305149607.db2.gz LVICPPXQMMYDFT-UHFFFAOYSA-N -1 0 349.774 3.043 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2csc(N3CCCCC3)n2)n1 ZINC000892416849 1305360702 /nfs/dbraw/zinc/36/07/02/1305360702.db2.gz AHMDUWZOOYPCNS-NSHDSACASA-N -1 0 332.454 3.388 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2cnn(-c3ccccc3Cl)c2)cc1[O-] ZINC000785587498 1305383849 /nfs/dbraw/zinc/38/38/49/1305383849.db2.gz IMJUVYWISJUANR-UHFFFAOYSA-N -1 0 338.754 3.355 20 30 EGEDRM Cc1ccc(Oc2ccc(C([O-])=C(C#N)C(=O)N3CCCC3)cc2)nc1 ZINC000892457949 1305384743 /nfs/dbraw/zinc/38/47/43/1305384743.db2.gz RTCFIXIOTUQYPS-KRWDZBQOSA-N -1 0 349.390 3.127 20 30 EGEDRM Cc1ccc(Oc2ccc(C([O-])=C(C#N)C(=O)NC(C)C)cc2)nc1 ZINC000892499179 1305408352 /nfs/dbraw/zinc/40/83/52/1305408352.db2.gz STEGSZAVUYUSJR-MRXNPFEDSA-N -1 0 337.379 3.029 20 30 EGEDRM C=CCOc1ccc(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)cc1 ZINC000786540124 1305593793 /nfs/dbraw/zinc/59/37/93/1305593793.db2.gz KRTMKJLLVDVZRH-IBGZPJMESA-N -1 0 348.402 3.199 20 30 EGEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2cccc(Cl)c2)c1 ZINC000786551376 1305596367 /nfs/dbraw/zinc/59/63/67/1305596367.db2.gz XDDOSHQOXLNUNL-MRXNPFEDSA-N -1 0 326.783 3.287 20 30 EGEDRM Cc1ccc(C([O-])=C(C#N)C(=O)NCc2ccc(F)cc2F)cc1F ZINC000786559533 1305598269 /nfs/dbraw/zinc/59/82/69/1305598269.db2.gz PFBQAOCUPQBIMR-AWEZNQCLSA-N -1 0 346.308 3.051 20 30 EGEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1ccc2c(c1)COC2)c1ccccc1 ZINC000787042809 1305683012 /nfs/dbraw/zinc/68/30/12/1305683012.db2.gz YSRXKYQTPSTQBE-RTBURBONSA-N -1 0 348.402 3.307 20 30 EGEDRM CC(=NOC[C@H]1CCOC1)c1ccc(-c2ccc(C(=O)[O-])o2)cc1 ZINC000788034696 1305851461 /nfs/dbraw/zinc/85/14/61/1305851461.db2.gz VEUNUXAEVWZJLI-ZDUSSCGKSA-N -1 0 329.352 3.422 20 30 EGEDRM O=C([O-])[C@H]1CCC(N=Nc2nncc3ccccc32)c2ccccc21 ZINC000788953859 1306049169 /nfs/dbraw/zinc/04/91/69/1306049169.db2.gz DKBFOZUGOSJACH-INIZCTEOSA-N -1 0 332.363 3.408 20 30 EGEDRM CCN(C)c1ccc(C=[NH+][N-]c2ccc(Cl)c(C(=O)[O-])c2)cn1 ZINC000790141440 1306267072 /nfs/dbraw/zinc/26/70/72/1306267072.db2.gz GOJQECSDEIDAJA-UHFFFAOYSA-N -1 0 332.791 3.335 20 30 EGEDRM CNc1cc(C([O-])=C(C#N)c2cnc3ccccc3n2)cc(Cl)n1 ZINC000792108962 1309120870 /nfs/dbraw/zinc/12/08/70/1309120870.db2.gz QPLPUYIPDOEPOB-LLVKDONJSA-N -1 0 337.770 3.210 20 30 EGEDRM CC[C@@H](NN=Cc1ccc(OCc2ccccc2)c(OC)c1)C(=O)[O-] ZINC000793080446 1309293468 /nfs/dbraw/zinc/29/34/68/1309293468.db2.gz ZEFJGTQUZSWEHV-MRXNPFEDSA-N -1 0 342.395 3.061 20 30 EGEDRM CC(C)n1nccc1/C=C/C(=O)c1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000794935400 1309625614 /nfs/dbraw/zinc/62/56/14/1309625614.db2.gz QRJYBHJHBXSTLY-SBDDDAINSA-N -1 0 328.368 3.212 20 30 EGEDRM C#CCCCCNS(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000795881474 1309854083 /nfs/dbraw/zinc/85/40/83/1309854083.db2.gz NBCMEYAMXVAWNP-UHFFFAOYSA-N -1 0 339.766 3.441 20 30 EGEDRM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2cncs2)cc1 ZINC000796747930 1310077870 /nfs/dbraw/zinc/07/78/70/1310077870.db2.gz RXHGJDKQBQGEBJ-AWEZNQCLSA-N -1 0 327.409 3.447 20 30 EGEDRM N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)=C([O-])c1ccc(C#N)o1 ZINC000796744386 1310077925 /nfs/dbraw/zinc/07/79/25/1310077925.db2.gz IQEBZJPULVDIDU-LBPRGKRZSA-N -1 0 348.145 3.419 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000797746763 1310241597 /nfs/dbraw/zinc/24/15/97/1310241597.db2.gz KQUOFISBXBXMDR-UHFFFAOYSA-N -1 0 334.706 3.046 20 30 EGEDRM O=C([O-])Cn1cc(C=NNCCc2ccccc2F)c2ccccc21 ZINC000799881542 1310633134 /nfs/dbraw/zinc/63/31/34/1310633134.db2.gz SMJUVAOTLJYUMN-UHFFFAOYSA-N -1 0 339.370 3.031 20 30 EGEDRM COc1ccc2nc(NN=Cc3cc(C(=O)[O-])c(C)[nH]3)c(C)cc2c1 ZINC000800815940 1310810531 /nfs/dbraw/zinc/81/05/31/1310810531.db2.gz UQFCSUUEQZSMAM-UHFFFAOYSA-N -1 0 338.367 3.333 20 30 EGEDRM Cn1nc(C2CC2)cc1C/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000899227392 1310986795 /nfs/dbraw/zinc/98/67/95/1310986795.db2.gz KKRLZTHXZLZBHC-REZTVBANSA-N -1 0 334.763 3.184 20 30 EGEDRM C[C@H](Oc1cccc(/C=C\C(=O)c2ccnn2C2CCC2)c1)C(=O)[O-] ZINC000899396806 1317018052 /nfs/dbraw/zinc/01/80/52/1317018052.db2.gz IEEHKXHRXGPFCQ-YXVBKTCISA-N -1 0 340.379 3.356 20 30 EGEDRM N#C[C@H]1CCCN(C(=O)c2cc(Cl)cc(Br)c2[O-])C1 ZINC000900632776 1317316375 /nfs/dbraw/zinc/31/63/75/1317316375.db2.gz BGZWWTHCOBPIJO-MRVPVSSYSA-N -1 0 343.608 3.184 20 30 EGEDRM N#CCCCCCC(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000805841182 1317430683 /nfs/dbraw/zinc/43/06/83/1317430683.db2.gz IRTCZKMPZYYMKM-UHFFFAOYSA-N -1 0 330.409 3.119 20 30 EGEDRM COCCOc1ccccc1/C=C1/CCc2occ(C(=O)[O-])c2C1=O ZINC000901515710 1317437748 /nfs/dbraw/zinc/43/77/48/1317437748.db2.gz PQKKGKROMARLTA-RAXLEYEMSA-N -1 0 342.347 3.216 20 30 EGEDRM COC(=O)c1ccc(/C=C2\C[C@@H](C(=O)[O-])c3ccccc3C2=O)cc1 ZINC000806559577 1317500767 /nfs/dbraw/zinc/50/07/67/1317500767.db2.gz CPLVWUBGUNQKQL-IDKBZEPQSA-N -1 0 336.343 3.311 20 30 EGEDRM COc1ccc(/C=C/C(=O)c2cccc(C(=O)[O-])c2)c(OC)c1OC ZINC000806558557 1317500956 /nfs/dbraw/zinc/50/09/56/1317500956.db2.gz GFLIWFBCAMXMSL-VQHVLOKHSA-N -1 0 342.347 3.307 20 30 EGEDRM O=C([O-])[C@H]1C/C(=C\c2cn(-c3ccccc3)nn2)C(=O)c2ccccc21 ZINC000806562806 1317501263 /nfs/dbraw/zinc/50/12/63/1317501263.db2.gz PGGZJAKJNBQPDZ-HGZMWJMZSA-N -1 0 345.358 3.106 20 30 EGEDRM COc1ccc(/C=C2\C[C@H](C(=O)[O-])c3ccccc3C2=O)cc1C#N ZINC000806560420 1317501740 /nfs/dbraw/zinc/50/17/40/1317501740.db2.gz LPGCLGGHEQVCSF-YJJOXIQCSA-N -1 0 333.343 3.405 20 30 EGEDRM COc1ccc2[nH]cc(C(=O)/C=C/c3ccc(O)c(C(=O)[O-])c3)c2c1 ZINC000809153814 1317776043 /nfs/dbraw/zinc/77/60/43/1317776043.db2.gz GEEXJMQDKZWJRJ-XVNBXDOJSA-N -1 0 337.331 3.476 20 30 EGEDRM CO[C@@H](CS(=O)(=O)[N-]c1scc(C)c1C#N)c1ccccc1 ZINC000906073507 1318033651 /nfs/dbraw/zinc/03/36/51/1318033651.db2.gz OJXASSGKZVDCLS-AWEZNQCLSA-N -1 0 336.438 3.058 20 30 EGEDRM N#Cc1c2c(sc1[N-]S(=O)(=O)c1ccc(C(F)F)o1)CCC2 ZINC000906074948 1318035274 /nfs/dbraw/zinc/03/52/74/1318035274.db2.gz XCZZAUGCJYKJDY-UHFFFAOYSA-N -1 0 344.364 3.440 20 30 EGEDRM C#CCCS(=O)(=O)[N-]C(=O)CCCCc1ccc(C(C)(C)C)cc1 ZINC000810783072 1318056746 /nfs/dbraw/zinc/05/67/46/1318056746.db2.gz DMASYIDLGCPASE-UHFFFAOYSA-N -1 0 349.496 3.166 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2ccc(OC)c3ccccc23)CC1 ZINC000810985376 1318086796 /nfs/dbraw/zinc/08/67/96/1318086796.db2.gz JVCRGLYRPMLYAI-UHFFFAOYSA-N -1 0 345.420 3.017 20 30 EGEDRM CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)c2ccccc2F)C1=O ZINC000906485328 1318108220 /nfs/dbraw/zinc/10/82/20/1318108220.db2.gz FWEUBANJPCUXGH-GOSISDBHSA-N -1 0 349.406 3.142 20 30 EGEDRM Cc1c(C(=O)[O-])oc2c1C(=NN[C@H](C)COc1ccccc1)CCC2 ZINC000811666254 1318223166 /nfs/dbraw/zinc/22/31/66/1318223166.db2.gz BEZDEZKWJOIJAI-GFCCVEGCSA-N -1 0 342.395 3.384 20 30 EGEDRM CON(C[C@H]1CCC[C@@H](C)C1)C(=O)c1cc(C#N)c(SC)[n-]c1=O ZINC000812422624 1318390245 /nfs/dbraw/zinc/39/02/45/1318390245.db2.gz QHXOHZQMXSTOHT-NEPJUHHUSA-N -1 0 349.456 3.211 20 30 EGEDRM CON(C[C@@H]1CCC[C@@H](C)C1)C(=O)c1cc(C#N)c(SC)[n-]c1=O ZINC000812422631 1318390684 /nfs/dbraw/zinc/39/06/84/1318390684.db2.gz QHXOHZQMXSTOHT-VXGBXAGGSA-N -1 0 349.456 3.211 20 30 EGEDRM C=C1CCC(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])CC1 ZINC000909440773 1318473728 /nfs/dbraw/zinc/47/37/28/1318473728.db2.gz ARWWUCRAJYWUTO-KRWDZBQOSA-N -1 0 326.396 3.026 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)c1cccn1[C@@H](C)Cc1ccccc1 ZINC000909514921 1318484354 /nfs/dbraw/zinc/48/43/54/1318484354.db2.gz NARKQKFLUNZZMK-HNNXBMFYSA-N -1 0 326.396 3.005 20 30 EGEDRM C=C[C@@H](CC(=O)NC(C)(C)c1cc(C(=O)[O-])on1)c1ccccc1 ZINC000909920177 1318538196 /nfs/dbraw/zinc/53/81/96/1318538196.db2.gz CSFFKPMDYWTAKF-LBPRGKRZSA-N -1 0 328.368 3.084 20 30 EGEDRM O=C([O-])c1cc(/C=C/C(=O)c2cc([N+](=O)[O-])ccc2F)ccc1O ZINC000814191820 1318695397 /nfs/dbraw/zinc/69/53/97/1318695397.db2.gz UGVCVDWHYJYGIX-ORCRQEGFSA-N -1 0 331.255 3.034 20 30 EGEDRM C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1sc(C)cc1C ZINC000814211975 1318701809 /nfs/dbraw/zinc/70/18/09/1318701809.db2.gz XNDDFKUEXAOFFB-UHFFFAOYSA-N -1 0 339.413 3.317 20 30 EGEDRM O=C([O-])c1ccccc1NN=C1COc2ccc(Br)cc21 ZINC000814768798 1318812094 /nfs/dbraw/zinc/81/20/94/1318812094.db2.gz MNWSXSUHHVNETG-UHFFFAOYSA-N -1 0 347.168 3.356 20 30 EGEDRM Cc1ccc(F)c(NC(=S)NN=C2CC[C@H](CC(=O)[O-])[C@@H]2C)c1 ZINC000814820325 1318824083 /nfs/dbraw/zinc/82/40/83/1318824083.db2.gz YLXBCISPONATJL-WDEREUQCSA-N -1 0 337.420 3.297 20 30 EGEDRM Cc1ccc(N=NC(C)CCc2ccc(OCCC(=O)[O-])cc2)nn1 ZINC000814840489 1318830091 /nfs/dbraw/zinc/83/00/91/1318830091.db2.gz LSRQYJWPHFDMKE-UHFFFAOYSA-N -1 0 342.399 3.059 20 30 EGEDRM C[C@@H]1C(N=Nc2ccc(C(F)(F)F)nn2)CC[C@H](C(=O)[O-])C1(C)C ZINC000814886808 1318840001 /nfs/dbraw/zinc/84/00/01/1318840001.db2.gz CYDWTHOEGYBUEF-RKDXNWHRSA-N -1 0 344.337 3.420 20 30 EGEDRM CC(CC1(C(=O)[O-])CCC1)N=Nc1nnc(-c2ccccn2)s1 ZINC000814911041 1318846850 /nfs/dbraw/zinc/84/68/50/1318846850.db2.gz QINXLPITTNKNDO-UHFFFAOYSA-N -1 0 331.401 3.033 20 30 EGEDRM O=C([O-])C1(c2ccccc2)CC(N=Nc2ccc3c(cc[nH]c3=O)c2)C1 ZINC000814924010 1318850356 /nfs/dbraw/zinc/85/03/56/1318850356.db2.gz DWAUAMHHODJRCW-UHFFFAOYSA-N -1 0 347.374 3.112 20 30 EGEDRM Cc1cc([N+](=O)[O-])ccc1N=NC1CC(C(=O)[O-])(c2ccccc2)C1 ZINC000814931112 1318853019 /nfs/dbraw/zinc/85/30/19/1318853019.db2.gz IYQNUANUFJORCR-UHFFFAOYSA-N -1 0 339.351 3.488 20 30 EGEDRM COc1cc(C=NNc2ccc(F)c(F)c2F)cc([N+](=O)[O-])c1[O-] ZINC000814945226 1318857322 /nfs/dbraw/zinc/85/73/22/1318857322.db2.gz REWYUOLKNFUZFZ-UHFFFAOYSA-N -1 0 341.245 3.172 20 30 EGEDRM C[C@H]1C(N=Nc2nnc(-c3ccccc3)s2)CC[C@H]1CC(=O)[O-] ZINC000814946461 1318857739 /nfs/dbraw/zinc/85/77/39/1318857739.db2.gz JELLXTNZQOIHSS-PWSUYJOCSA-N -1 0 330.413 3.494 20 30 EGEDRM CC[C@@H](NN=Cc1cnn(C2CCCC2)c1-c1ccccc1)C(=O)[O-] ZINC000817329351 1319326903 /nfs/dbraw/zinc/32/69/03/1319326903.db2.gz WUVOGPFWHAAIEX-QGZVFWFLSA-N -1 0 340.427 3.452 20 30 EGEDRM CCCCCCCCNC(=O)C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000817877072 1319450076 /nfs/dbraw/zinc/45/00/76/1319450076.db2.gz CTJJHOWVISEUCX-UHFFFAOYSA-N -1 0 334.416 3.108 20 30 EGEDRM Cc1c(C(=O)[O-])oc2c1C(N=Nc1nncc3ccccc31)CCC2 ZINC000915938489 1319567076 /nfs/dbraw/zinc/56/70/76/1319567076.db2.gz XMJDIIZTZUSJPV-UHFFFAOYSA-N -1 0 336.351 3.382 20 30 EGEDRM CC(N=Nc1ncnc2sccc21)c1ccc(CC(=O)[O-])cc1 ZINC000915955650 1319569666 /nfs/dbraw/zinc/56/96/66/1319569666.db2.gz IDKZSLUJIFARBA-UHFFFAOYSA-N -1 0 326.381 3.155 20 30 EGEDRM CCOc1ccc(/C=C\C(=O)c2cccc(OCC(=O)[O-])c2)cc1 ZINC000916157874 1319611802 /nfs/dbraw/zinc/61/18/02/1319611802.db2.gz WSUNDCDJZXPEQJ-FLIBITNWSA-N -1 0 326.348 3.445 20 30 EGEDRM Cc1sc2ncnc(NN=Cc3ccc([O-])c([N+](=O)[O-])c3)c2c1C ZINC000916307734 1319637233 /nfs/dbraw/zinc/63/72/33/1319637233.db2.gz MPMQIBLIICOMBB-UHFFFAOYSA-N -1 0 343.368 3.368 20 30 EGEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1cc2c(cccc2F)s1 ZINC000917040196 1319743221 /nfs/dbraw/zinc/74/32/21/1319743221.db2.gz CYOYCKKVFTYSBY-GFCCVEGCSA-N -1 0 330.384 3.422 20 30 EGEDRM C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000819935690 1319806794 /nfs/dbraw/zinc/80/67/94/1319806794.db2.gz UYXXVQCYCCNFTR-UHFFFAOYSA-N -1 0 336.240 3.401 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(-c2cnco2)cc1 ZINC000918485729 1319955465 /nfs/dbraw/zinc/95/54/65/1319955465.db2.gz WUEZMDWZNDHDBH-MRXNPFEDSA-N -1 0 339.395 3.361 20 30 EGEDRM Cc1c(N=NC2CC[C@@H](C)C[C@H]2n2cncn2)cccc1C(=O)[O-] ZINC000844622862 1321626243 /nfs/dbraw/zinc/62/62/43/1321626243.db2.gz IQORQMIXZCSMEF-BDJLRTHQSA-N -1 0 327.388 3.114 20 30 EGEDRM C=C[C@@H](C)O[N-]C(=O)CSCc1ccc(Br)cc1 ZINC000846540888 1321791993 /nfs/dbraw/zinc/79/19/93/1321791993.db2.gz BCDWFTRAAYQBEG-SNVBAGLBSA-N -1 0 330.247 3.305 20 30 EGEDRM C=C[C@@H](C)O[N-]C(=O)Cc1csc(COc2ccc(C)cc2)n1 ZINC000846544956 1321792320 /nfs/dbraw/zinc/79/23/20/1321792320.db2.gz ZTRYGUNEEKTXSB-CYBMUJFWSA-N -1 0 332.425 3.195 20 30 EGEDRM C=C[C@@H](C)O[N-]C(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1C ZINC000846553419 1321793319 /nfs/dbraw/zinc/79/33/19/1321793319.db2.gz AOTSAUIBRMBPJL-UKRRQHHQSA-N -1 0 334.416 3.183 20 30 EGEDRM CC1(C)Cc2cccc(C([O-])=C(C#N)C(=O)NC3CCCCC3)c2O1 ZINC000847624074 1321885611 /nfs/dbraw/zinc/88/56/11/1321885611.db2.gz REIWVESCOWKOEZ-INIZCTEOSA-N -1 0 340.423 3.171 20 30 EGEDRM CCCCCCCC[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccccn1 ZINC000851006802 1322322760 /nfs/dbraw/zinc/32/27/60/1322322760.db2.gz ZLCYMQUDOMUTEV-OAHLLOKOSA-N -1 0 340.489 3.414 20 30 EGEDRM CCCCCCCC[C@H](C)C(=O)[N-]S(=O)(=O)Cc1ccccn1 ZINC000851006801 1322323057 /nfs/dbraw/zinc/32/30/57/1322323057.db2.gz ZLCYMQUDOMUTEV-HNNXBMFYSA-N -1 0 340.489 3.414 20 30 EGEDRM O=C([O-])c1ccc(F)c(/C=C2/S/C(=N\C3CCCC3)NC2=O)c1 ZINC000865215352 1329676473 /nfs/dbraw/zinc/67/64/73/1329676473.db2.gz OUMQJIOMNMWMTJ-MDWZMJQESA-N -1 0 334.372 3.026 20 30 EGEDRM C[Si](C)(C)CCS(=O)(=O)[N-]c1ccc(Cl)c(F)c1C#N ZINC001195081912 1368373724 /nfs/dbraw/zinc/37/37/24/1368373724.db2.gz WFEJFAHQFSMILG-UHFFFAOYSA-N -1 0 334.876 3.431 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2F)cn1 ZINC001201251390 1369505346 /nfs/dbraw/zinc/50/53/46/1369505346.db2.gz GYTDSQZVCMNKQG-UHFFFAOYSA-N -1 0 346.170 3.200 20 30 EGEDRM CC(C)(C)OC(=O)CC1CCN(C(=O)CCC(=O)C2=CC=C[CH]2)CC1 ZINC001184244208 1387418715 /nfs/dbraw/zinc/41/87/15/1387418715.db2.gz RMFXSYZBPGUPHK-UHFFFAOYSA-N -1 0 346.447 3.007 20 30 EGEDRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(F)c2C#N)c1 ZINC001189605934 1367066048 /nfs/dbraw/zinc/06/60/48/1367066048.db2.gz JXXLHVVROJPIHX-UHFFFAOYSA-N -1 0 340.763 3.160 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2F)cc1Cl ZINC001190347482 1367234586 /nfs/dbraw/zinc/23/45/86/1367234586.db2.gz DOXZCJUZTNUDEI-UHFFFAOYSA-N -1 0 346.717 3.430 20 30 EGEDRM Cc1cc(C#N)c(F)cc1[N-]S(=O)(=O)c1cc(F)cc(F)c1F ZINC001190390890 1367249835 /nfs/dbraw/zinc/24/98/35/1367249835.db2.gz KXTKJVYYOWXUIQ-UHFFFAOYSA-N -1 0 344.289 3.224 20 30 EGEDRM CCOc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2F)cc1F ZINC001190658302 1367321454 /nfs/dbraw/zinc/32/14/54/1367321454.db2.gz SDELZDMHLXNYRV-UHFFFAOYSA-N -1 0 338.335 3.036 20 30 EGEDRM Cc1cc(C#N)ccc1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC001190932395 1367384694 /nfs/dbraw/zinc/38/46/94/1367384694.db2.gz NGSMQNPILSLFCE-UHFFFAOYSA-N -1 0 331.784 3.193 20 30 EGEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cnc(Cl)c(F)c2)c1 ZINC001190938984 1367387177 /nfs/dbraw/zinc/38/71/77/1367387177.db2.gz JHBDOJNQUQCEMQ-UHFFFAOYSA-N -1 0 346.170 3.200 20 30 EGEDRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1cccc(OC)c1C#N ZINC001191828833 1367605420 /nfs/dbraw/zinc/60/54/20/1367605420.db2.gz SHAYGZNFYVPFKX-UHFFFAOYSA-N -1 0 346.408 3.075 20 30 EGEDRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1cc(C)cc(C#N)c1 ZINC001191834830 1367607484 /nfs/dbraw/zinc/60/74/84/1367607484.db2.gz TYAGLSJFUBRLRL-UHFFFAOYSA-N -1 0 330.409 3.375 20 30 EGEDRM N#CCS(=O)(=O)Nc1cccc(COc2ccccc2Cl)c1 ZINC001192980206 1367915601 /nfs/dbraw/zinc/91/56/01/1367915601.db2.gz FKLQRFYHNZESRK-UHFFFAOYSA-N -1 0 336.800 3.184 20 30 EGEDRM Cc1[nH]c(NC(=O)c2cc(Cl)nc(Cl)c2[O-])c(C#N)c1C ZINC001193084400 1367939467 /nfs/dbraw/zinc/93/94/67/1367939467.db2.gz YXIJDHSYIKOTFA-UHFFFAOYSA-N -1 0 325.155 3.163 20 30 EGEDRM Cc1c(F)cc(OCc2ccccc2)cc1[N-]S(=O)(=O)[C@H](C)C#N ZINC001193149491 1367954485 /nfs/dbraw/zinc/95/44/85/1367954485.db2.gz OYPVZZUYEPPJDN-GFCCVEGCSA-N -1 0 348.399 3.367 20 30 EGEDRM N#Cc1cc(C(=O)N2CCC3(C=Cc4ccccc43)CC2)ccc1[O-] ZINC001193506798 1368047830 /nfs/dbraw/zinc/04/78/30/1368047830.db2.gz PRNFDDOOVSUEPT-UHFFFAOYSA-N -1 0 330.387 3.465 20 30 EGEDRM Cc1cc(C)c(NC(=O)c2cccc(C#N)c2[O-])c(Br)n1 ZINC001193634891 1368080678 /nfs/dbraw/zinc/08/06/78/1368080678.db2.gz LCMPYNAQFSTHMT-UHFFFAOYSA-N -1 0 346.184 3.291 20 30 EGEDRM N#Cc1cccc(C(=O)NCC2(c3ccc(Cl)cc3)CC2)c1[O-] ZINC001193657761 1368086592 /nfs/dbraw/zinc/08/65/92/1368086592.db2.gz DXBVSXAQIHTTKW-UHFFFAOYSA-N -1 0 326.783 3.379 20 30 EGEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2)c1 ZINC001193680003 1368092867 /nfs/dbraw/zinc/09/28/67/1368092867.db2.gz UZAZEKAXNGJZLW-UHFFFAOYSA-N -1 0 340.763 3.160 20 30 EGEDRM Cc1cc(C#N)c([N-]S(=O)(=O)Cc2noc3ccccc32)cc1F ZINC001194105065 1368183883 /nfs/dbraw/zinc/18/38/83/1368183883.db2.gz UBROGFYPLDDYFJ-UHFFFAOYSA-N -1 0 345.355 3.089 20 30 EGEDRM N#Cc1ncccc1[N-]S(=O)(=O)c1ccc(-c2cccs2)cc1 ZINC001194142100 1368190971 /nfs/dbraw/zinc/19/09/71/1368190971.db2.gz ONUIBKDQTDQRLR-UHFFFAOYSA-N -1 0 341.417 3.483 20 30 EGEDRM Cn1[n-]c(C(=O)Nc2ccc(Cl)cc2C#C[Si](C)(C)C)cc1=O ZINC001194203013 1368207677 /nfs/dbraw/zinc/20/76/77/1368207677.db2.gz QFTOOYQVPFKBNE-UHFFFAOYSA-N -1 0 347.878 3.260 20 30 EGEDRM C#Cc1nccnc1[N-]S(=O)(=O)c1ccc2c(Cl)cccc2c1 ZINC001194216847 1368210343 /nfs/dbraw/zinc/21/03/43/1368210343.db2.gz JGDJUJZATQIASZ-UHFFFAOYSA-N -1 0 343.795 3.065 20 30 EGEDRM Cc1ccc(C#N)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)c1 ZINC001194260732 1368218456 /nfs/dbraw/zinc/21/84/56/1368218456.db2.gz JJJBDQIBWDTBRG-UHFFFAOYSA-N -1 0 341.314 3.081 20 30 EGEDRM C#Cc1nccnc1[N-]S(=O)(=O)c1cccc2c(Cl)cccc21 ZINC001194411018 1368255444 /nfs/dbraw/zinc/25/54/44/1368255444.db2.gz HZEKEDWEEWEFNN-UHFFFAOYSA-N -1 0 343.795 3.065 20 30 EGEDRM Cc1nc(C#N)c([N-]S(=O)(=O)c2cccc3c(Cl)cccc32)o1 ZINC001194412171 1368256299 /nfs/dbraw/zinc/25/62/99/1368256299.db2.gz FMGLWKVOYARBDO-UHFFFAOYSA-N -1 0 347.783 3.462 20 30 EGEDRM CCOC(=O)c1cc2cc[nH]c2cc1NC(=O)c1ccc(C#N)cc1[O-] ZINC001195750881 1368481927 /nfs/dbraw/zinc/48/19/27/1368481927.db2.gz OFDFCWCDPGIZIZ-UHFFFAOYSA-N -1 0 349.346 3.174 20 30 EGEDRM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(Nc2ccc(C#N)cn2)c1 ZINC001186442615 1387942889 /nfs/dbraw/zinc/94/28/89/1387942889.db2.gz YQDPTPWJAXEBGN-UHFFFAOYSA-N -1 0 334.301 3.184 20 30 EGEDRM O=C(c1cc(Cl)ncc1[O-])N1CCC(C#Cc2ccccc2)CC1 ZINC001196395326 1368606452 /nfs/dbraw/zinc/60/64/52/1368606452.db2.gz DZLQURMIQKATOO-UHFFFAOYSA-N -1 0 340.810 3.345 20 30 EGEDRM CSc1cc(C)nc(SC)c1[N-]C(=O)c1ncccc1C#N ZINC001196548315 1368636355 /nfs/dbraw/zinc/63/63/55/1368636355.db2.gz ZNACUCNSWZXVJR-UHFFFAOYSA-N -1 0 330.438 3.353 20 30 EGEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(C2CC2)n1 ZINC001196652327 1368656057 /nfs/dbraw/zinc/65/60/57/1368656057.db2.gz VRJHXNMPAJEJEP-UHFFFAOYSA-N -1 0 333.800 3.285 20 30 EGEDRM COc1ccc(F)c(S(=O)(=O)[N-]c2ccc(Cl)cc2C#N)c1 ZINC001196762473 1368678302 /nfs/dbraw/zinc/67/83/02/1368678302.db2.gz VWRZTXILQJUJII-UHFFFAOYSA-N -1 0 340.763 3.160 20 30 EGEDRM CN(Cc1cccc(C#N)c1)C(=S)Nc1ccc(C(=O)[O-])cc1 ZINC001197105325 1368745155 /nfs/dbraw/zinc/74/51/55/1368745155.db2.gz MYTTYWHKXXYEIP-UHFFFAOYSA-N -1 0 325.393 3.085 20 30 EGEDRM N#Cc1ncccc1[N-]S(=O)(=O)Cc1cc(Cl)ccc1Cl ZINC001197502590 1368828052 /nfs/dbraw/zinc/82/80/52/1368828052.db2.gz KWPJNCQADTZQAF-UHFFFAOYSA-N -1 0 342.207 3.202 20 30 EGEDRM Cc1noc([N-]S(=O)(=O)Cc2cccc(Cl)c2Cl)c1C#N ZINC001197715797 1368879458 /nfs/dbraw/zinc/87/94/58/1368879458.db2.gz ITPYMKXGEDYNQN-UHFFFAOYSA-N -1 0 346.195 3.103 20 30 EGEDRM N#Cc1cc(Cl)cc(Cl)c1[N-]S(=O)(=O)Cc1ccccn1 ZINC001197820686 1368906042 /nfs/dbraw/zinc/90/60/42/1368906042.db2.gz IDZJCFXCNMFRFG-UHFFFAOYSA-N -1 0 342.207 3.202 20 30 EGEDRM N#Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(Cl)n1 ZINC001198234065 1368986227 /nfs/dbraw/zinc/98/62/27/1368986227.db2.gz HEMUJCIULPZDSI-UHFFFAOYSA-N -1 0 328.180 3.061 20 30 EGEDRM COc1cc(S(=O)(=O)[N-]c2sc(C)c(C)c2C#N)ccc1F ZINC001200365267 1369354614 /nfs/dbraw/zinc/35/46/14/1369354614.db2.gz ONSDIPHRNBIRNA-UHFFFAOYSA-N -1 0 340.401 3.185 20 30 EGEDRM Cc1nc(Cl)sc1S(=O)(=O)[N-]c1c(F)ccc(F)c1C#N ZINC001201764050 1369619415 /nfs/dbraw/zinc/61/94/15/1369619415.db2.gz NTZHMRDPQCVPAM-UHFFFAOYSA-N -1 0 349.771 3.056 20 30 EGEDRM CCCCCCCCCCS(=O)(=O)[N-]c1cnccc1C(N)=O ZINC001201834322 1369630973 /nfs/dbraw/zinc/63/09/73/1369630973.db2.gz NFFMTXUNBZOFJS-UHFFFAOYSA-N -1 0 341.477 3.063 20 30 EGEDRM COC(=O)c1cc(C#N)cc(Nc2cc(F)c(C(=O)[O-])c(F)c2)c1 ZINC001203332693 1370086279 /nfs/dbraw/zinc/08/62/79/1370086279.db2.gz QNJKNRIPIKRJQT-UHFFFAOYSA-N -1 0 332.262 3.065 20 30 EGEDRM CN(C)/C=N/c1ccc(-c2ccc(F)c(C(=O)[O-])c2F)cc1C#N ZINC001205100252 1370649621 /nfs/dbraw/zinc/64/96/21/1370649621.db2.gz LGIGQAINAYJGIA-ZVBGSRNCSA-N -1 0 329.306 3.423 20 30 EGEDRM C#Cc1cccnc1[N-]S(=O)(=O)CCc1cccc2ccccc21 ZINC001187614062 1388130231 /nfs/dbraw/zinc/13/02/31/1388130231.db2.gz BHALBZZEFWPXOY-UHFFFAOYSA-N -1 0 336.416 3.201 20 30 EGEDRM CCCCCCCCCC(=O)[N-]S(=O)(=O)c1ccc(C)nc1 ZINC001326280153 1388141111 /nfs/dbraw/zinc/14/11/11/1388141111.db2.gz LYVKUVKCCFTERV-UHFFFAOYSA-N -1 0 326.462 3.336 20 30 EGEDRM N#Cc1cnnc(-c2ccccc2)c1Nc1cccc(CC(=O)[O-])c1 ZINC001210068822 1372265843 /nfs/dbraw/zinc/26/58/43/1372265843.db2.gz DVZRGGUEZKLAHU-UHFFFAOYSA-N -1 0 330.347 3.386 20 30 EGEDRM CC(C)Cn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N(C)c1ccccc1 ZINC001122818250 1372326008 /nfs/dbraw/zinc/32/60/08/1372326008.db2.gz RWHZHKULBDALCE-UHFFFAOYSA-N -1 0 348.410 3.341 20 30 EGEDRM Cn1nc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)cc1C(F)F ZINC001122954063 1372347310 /nfs/dbraw/zinc/34/73/10/1372347310.db2.gz VJHFZWBCWVZNLU-QMMMGPOBSA-N -1 0 344.243 3.262 20 30 EGEDRM N#Cc1cnn2c1[nH]c(=O)cc2Nc1cc(Cl)c([O-])c(Cl)c1 ZINC001210924137 1372454193 /nfs/dbraw/zinc/45/41/93/1372454193.db2.gz FFHMGYGLSRZFOR-UHFFFAOYSA-N -1 0 336.138 3.063 20 30 EGEDRM CCCCCCCCS(=O)(=O)[N-]c1nc(C)c(C#N)cc1C#N ZINC001187994862 1388207911 /nfs/dbraw/zinc/20/79/11/1388207911.db2.gz SMWAZEQZXQFZFK-UHFFFAOYSA-N -1 0 334.445 3.236 20 30 EGEDRM CCCCCCCCS(=O)(=O)[N-]C1(C(F)(F)F)CCOCC1 ZINC001188020405 1388217587 /nfs/dbraw/zinc/21/75/87/1388217587.db2.gz VTRNIVKAKIYECV-UHFFFAOYSA-N -1 0 345.427 3.378 20 30 EGEDRM COc1cc(Nc2cccc(C#CC(C)(C)O)c2)cc(C(=O)[O-])c1 ZINC001213597288 1372932403 /nfs/dbraw/zinc/93/24/03/1372932403.db2.gz RAFRTYVNDLFRDA-UHFFFAOYSA-N -1 0 325.364 3.259 20 30 EGEDRM Cc1cc([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)ccc1C#N ZINC001188071409 1388235159 /nfs/dbraw/zinc/23/51/59/1388235159.db2.gz TZXMOOOFBNSYAX-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM N#Cc1cnc2ccnn2c1Nc1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC001215640911 1373223417 /nfs/dbraw/zinc/22/34/17/1373223417.db2.gz AIGHXXNFRWZSJG-UHFFFAOYSA-N -1 0 347.256 3.062 20 30 EGEDRM N#Cc1cc(Nc2cccc(CN3CCOCC3)c2F)c([O-])cc1F ZINC001216218327 1373283211 /nfs/dbraw/zinc/28/32/11/1373283211.db2.gz WUXAALGEGQLAFZ-UHFFFAOYSA-N -1 0 345.349 3.118 20 30 EGEDRM Cc1cc(Nc2c(C#N)cnn2C2CCOCC2)cc(C)c1C(=O)[O-] ZINC001216308987 1373298262 /nfs/dbraw/zinc/29/82/62/1373298262.db2.gz JMTSOJLKEMOPPS-UHFFFAOYSA-N -1 0 340.383 3.165 20 30 EGEDRM N#Cc1cc(-c2nc(-c3ccc(F)c4c3C(=O)CC4)no2)ccc1[O-] ZINC001216969622 1373373442 /nfs/dbraw/zinc/37/34/42/1373373442.db2.gz JJLSENYGDRRBLP-UHFFFAOYSA-N -1 0 335.294 3.249 20 30 EGEDRM N#Cc1cc(F)c(=O)[n-]c1O[C@@H]1Cc2cccc(Br)c2C1 ZINC001226009050 1375189737 /nfs/dbraw/zinc/18/97/37/1375189737.db2.gz QWNYAWQERZSDPB-SNVBAGLBSA-N -1 0 349.159 3.107 20 30 EGEDRM CCOC(=O)[C@@H](CC(C)C)Oc1[n-]c(=O)cc(C(F)(F)F)c1C#N ZINC001226063872 1375198653 /nfs/dbraw/zinc/19/86/53/1375198653.db2.gz LRFYIOWNJXDQPX-LLVKDONJSA-N -1 0 346.305 3.034 20 30 EGEDRM C[C@@H](Oc1nccc(/C=N/[O-])n1)c1c(F)cccc1Br ZINC001226256371 1375227675 /nfs/dbraw/zinc/22/76/75/1375227675.db2.gz DJOPXRKVUSIVHD-RAKXPMKDSA-N -1 0 340.152 3.326 20 30 EGEDRM C[C@H](Oc1nccc(/C=N/[O-])n1)c1c(F)cccc1Br ZINC001226256372 1375228324 /nfs/dbraw/zinc/22/83/24/1375228324.db2.gz DJOPXRKVUSIVHD-TXQWPAICSA-N -1 0 340.152 3.326 20 30 EGEDRM C[Si](C)(C)C#C[C@@H](Oc1[n-]c(=O)ncc1[N+](=O)[O-])c1ccccc1 ZINC001226332182 1375241591 /nfs/dbraw/zinc/24/15/91/1375241591.db2.gz SXQJHIKGLROICL-CQSZACIVSA-N -1 0 343.415 3.091 20 30 EGEDRM CC(C)(C)OC(=O)N1CC[C@@H](Oc2[n-]c(=O)ccc2C#N)C(C)(C)C1 ZINC001228901149 1375709251 /nfs/dbraw/zinc/70/92/51/1375709251.db2.gz JUAFSHHLSLRBHE-CYBMUJFWSA-N -1 0 347.415 3.073 20 30 EGEDRM N#Cc1ccc(=O)[n-]c1O[C@@H]1CCc2ccc(Br)cc21 ZINC001228902585 1375710712 /nfs/dbraw/zinc/71/07/12/1375710712.db2.gz SDJUTQQLZDTYGV-CYBMUJFWSA-N -1 0 331.169 3.488 20 30 EGEDRM C=C[C@H](CC(=O)OC(C)(C)C)Oc1[n-]c(=O)nc2cc(C)ccc21 ZINC001230887798 1376178403 /nfs/dbraw/zinc/17/84/03/1376178403.db2.gz DICDTCKMFJENNS-GFCCVEGCSA-N -1 0 330.384 3.309 20 30 EGEDRM C#C[C@H](COc1cccc(Cl)c1)Oc1[n-]c(=O)cc(C)c1C#N ZINC001233919443 1376736307 /nfs/dbraw/zinc/73/63/07/1376736307.db2.gz QVEXHJHNRYBYPZ-CYBMUJFWSA-N -1 0 328.755 3.080 20 30 EGEDRM Cc1cc(=O)[n-]c(OCC[C@@H]2COC(C(C)C)(C(C)C)O2)c1C#N ZINC001233919452 1376737161 /nfs/dbraw/zinc/73/71/61/1376737161.db2.gz RHWUXVVKFLZMHZ-CQSZACIVSA-N -1 0 334.416 3.160 20 30 EGEDRM N#Cc1cccc(N2CCN(Cc3cc(F)cc(Cl)c3[O-])CC2)c1 ZINC001237805506 1376988158 /nfs/dbraw/zinc/98/81/58/1376988158.db2.gz MRUXNWJHPGGNCO-UHFFFAOYSA-N -1 0 345.805 3.379 20 30 EGEDRM N=C(c1ccccc1N)N(O)C(=O)c1cc(Cl)nc2ccccc21 ZINC001149663839 1379423468 /nfs/dbraw/zinc/42/34/68/1379423468.db2.gz CQRHTYHUFRSPST-UHFFFAOYSA-N -1 0 340.770 3.327 20 30 EGEDRM Cc1cc(C(=O)Nc2cc(C#N)c(F)cc2[O-])c2cc(O)ccc2n1 ZINC001150545949 1379565840 /nfs/dbraw/zinc/56/58/40/1379565840.db2.gz ZZZVCLKLAHNRFZ-UHFFFAOYSA-N -1 0 337.310 3.218 20 30 EGEDRM N#Cc1ccc(F)c(F)c1NC(=O)c1cc(=O)c2cccc(O)c2[n-]1 ZINC001152680309 1379968784 /nfs/dbraw/zinc/96/87/84/1379968784.db2.gz NQJIPMRIQJSVRB-UHFFFAOYSA-N -1 0 341.273 3.048 20 30 EGEDRM CC(C)c1cccnc1NC(=O)c1cc(=O)c2cc(C#N)ccc2[n-]1 ZINC001154553286 1380304884 /nfs/dbraw/zinc/30/48/84/1380304884.db2.gz QJLDAQPUGZWYRW-UHFFFAOYSA-N -1 0 332.363 3.170 20 30 EGEDRM N#Cc1ccc2[n-]c(C(=O)Nc3ccc(C4CCC4)nc3)cc(=O)c2c1 ZINC001154553398 1380304888 /nfs/dbraw/zinc/30/48/88/1380304888.db2.gz SHOGWZZFEJBETB-UHFFFAOYSA-N -1 0 344.374 3.315 20 30 EGEDRM COC(=O)c1cc(C#N)cc(C)c1Nc1ccc(C(=O)[O-])c(F)c1 ZINC001175161224 1385208900 /nfs/dbraw/zinc/20/89/00/1385208900.db2.gz CDEMMTBWMCGMFH-UHFFFAOYSA-N -1 0 328.299 3.234 20 30 EGEDRM N#Cc1cc(NC(=O)Cc2csc(C(F)(F)F)n2)c([O-])cc1F ZINC001177281002 1385895656 /nfs/dbraw/zinc/89/56/56/1385895656.db2.gz GOCYVBPOBWTJPE-UHFFFAOYSA-N -1 0 345.277 3.059 20 30 EGEDRM CC(C)c1nc(C=Nn2c(=O)c3ccccc3[n-]c2=S)cs1 ZINC001319517591 1386157526 /nfs/dbraw/zinc/15/75/26/1386157526.db2.gz AXGZSYCERHLFDF-UHFFFAOYSA-N -1 0 330.438 3.147 20 30 EGEDRM CCOC(=O)COc1ccc(C=CC(=O)c2sccc2[O-])cc1 ZINC001320865780 1386741983 /nfs/dbraw/zinc/74/19/83/1386741983.db2.gz NRARPSJPLVSJGC-YVMONPNESA-N -1 0 332.377 3.292 20 30 EGEDRM CC(N=Nc1ccn(C)n1)c1cc(Br)cc(Cl)c1[O-] ZINC001321018163 1386784713 /nfs/dbraw/zinc/78/47/13/1386784713.db2.gz XYZQGBZQUCPJAI-UHFFFAOYSA-N -1 0 343.612 3.378 20 30 EGEDRM C=CC[C@@H](NC(=O)C[C@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC001321166615 1386828237 /nfs/dbraw/zinc/82/82/37/1386828237.db2.gz HOMATQABXFTWJS-GXFFZTMASA-N -1 0 329.318 3.345 20 30 EGEDRM CC#CCCCC(=O)N(CCC)Cc1nc(=O)c2sccc2[n-]1 ZINC001321214109 1386843603 /nfs/dbraw/zinc/84/36/03/1386843603.db2.gz XFYFENARCVCPPR-UHFFFAOYSA-N -1 0 331.441 3.329 20 30 EGEDRM C=CC[C@@H](NC(=O)c1csc(-c2cccc(Cl)c2)n1)C(=O)[O-] ZINC001322603135 1387212640 /nfs/dbraw/zinc/21/26/40/1387212640.db2.gz ZVTJMUZGMSNRJB-LLVKDONJSA-N -1 0 336.800 3.223 20 30 EGEDRM COCc1nocc1C([O-])=C(C#N)c1nc2ccccc2n1C(F)F ZINC001342614546 1390632732 /nfs/dbraw/zinc/63/27/32/1390632732.db2.gz FFKIRASGMRBGBA-SECBINFHSA-N -1 0 346.293 3.056 20 30 EGEDRM CCC(=O)c1ccc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)cc1 ZINC001343463728 1390715688 /nfs/dbraw/zinc/71/56/88/1390715688.db2.gz QPNKFOYRLHQEQJ-OAHLLOKOSA-N -1 0 344.374 3.295 20 30 EGEDRM CC(=O)c1cc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)ccc1C ZINC001346076140 1390905638 /nfs/dbraw/zinc/90/56/38/1390905638.db2.gz ASDVJRVCYROBBI-INIZCTEOSA-N -1 0 344.374 3.213 20 30 EGEDRM C=CC[C@H](NC(=O)NCc1ccc(C)cc1O[C@@H](C)CC)C(=O)[O-] ZINC001348023252 1391161493 /nfs/dbraw/zinc/16/14/93/1391161493.db2.gz DWIDQKDRABGJRM-ZFWWWQNUSA-N -1 0 334.416 3.001 20 30 EGEDRM O=C(C=Cc1nccc2ccccc21)c1ccc(-c2nn[n-]n2)cc1F ZINC000826403329 1429077885 /nfs/dbraw/zinc/07/78/85/1429077885.db2.gz PANVYGYILZYKCE-FPLPWBNLSA-N -1 0 345.337 3.450 20 30 EGEDRM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1cc(F)cc(F)c1 ZINC000826475468 1423279829 /nfs/dbraw/zinc/27/98/29/1423279829.db2.gz GUKFECAWEHIJKT-LFYBBSHMSA-N -1 0 338.317 3.357 20 30 EGEDRM C=CCCCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@H](C)C2 ZINC000819733782 1423315692 /nfs/dbraw/zinc/31/56/92/1423315692.db2.gz BHGZSLPBKRAQIW-JTQLQIEISA-N -1 0 331.445 3.348 20 30 EGEDRM CC(=NNc1cccc2ncccc21)c1ccc(-c2nn[n-]n2)cc1F ZINC000823962182 1423930383 /nfs/dbraw/zinc/93/03/83/1423930383.db2.gz HGNQHRHLRRLNRS-UHFFFAOYSA-N -1 0 347.357 3.390 20 30 EGEDRM CCc1ccc(C(C)N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)cc1 ZINC000825704284 1423975354 /nfs/dbraw/zinc/97/53/54/1423975354.db2.gz GAGLIXPJOZAGPK-UHFFFAOYSA-N -1 0 341.806 3.314 20 30 EGEDRM Cc1ccc(F)c(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000826289354 1424509371 /nfs/dbraw/zinc/50/93/71/1424509371.db2.gz WUMZYYSJGMFVRD-FNORWQNLSA-N -1 0 326.306 3.349 20 30 EGEDRM CC(C)(CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000735664569 1424655316 /nfs/dbraw/zinc/65/53/16/1424655316.db2.gz KXYISYJESBSPHP-UHFFFAOYSA-N -1 0 346.394 3.045 20 30 EGEDRM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)s1 ZINC000819773937 1424892297 /nfs/dbraw/zinc/89/22/97/1424892297.db2.gz XPJOYKZQWKCWBY-UHFFFAOYSA-N -1 0 332.820 3.095 20 30 EGEDRM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)O[C@@H](C)C#N)cc1 ZINC000822143904 1425253711 /nfs/dbraw/zinc/25/37/11/1425253711.db2.gz IBXHJWOEXUSZRK-LBPRGKRZSA-N -1 0 349.350 3.036 20 30 EGEDRM N#Cc1cccc(Cl)c1NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822837171 1426393444 /nfs/dbraw/zinc/39/34/44/1426393444.db2.gz IGUPJNQJSMORPJ-UHFFFAOYSA-N -1 0 328.738 3.143 20 30 EGEDRM CCCC[C@@H](CC)CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000736439621 1426402817 /nfs/dbraw/zinc/40/28/17/1426402817.db2.gz XQOVYPZGTJFGPC-GFCCVEGCSA-N -1 0 326.404 3.283 20 30 EGEDRM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ccccc1OC(F)F ZINC000822922288 1426535295 /nfs/dbraw/zinc/53/52/95/1426535295.db2.gz FFPBDNNNPHFATB-AATRIKPKSA-N -1 0 348.334 3.426 20 30 EGEDRM C=CC[C@H](C)NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000735409747 1426599453 /nfs/dbraw/zinc/59/94/53/1426599453.db2.gz KADLVRYHOZXXLZ-ZDUSSCGKSA-N -1 0 333.395 3.228 20 30 EGEDRM C=C[C@H](CC(=O)N1CCc2ccc(-c3nn[n-]n3)cc21)c1ccccc1 ZINC000823883519 1426892897 /nfs/dbraw/zinc/89/28/97/1426892897.db2.gz SEEOZSAJOWOESM-CQSZACIVSA-N -1 0 345.406 3.116 20 30 EGEDRM CC(=NNc1cc(F)c(F)cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000735450835 1427027680 /nfs/dbraw/zinc/02/76/80/1427027680.db2.gz FMFLFJRPJCIBSE-UHFFFAOYSA-N -1 0 332.289 3.120 20 30 EGEDRM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CCC[C@@H](C3CC3)C2)o1 ZINC000735938894 1427609670 /nfs/dbraw/zinc/60/96/70/1427609670.db2.gz GRGXIUCIDCGZOQ-LLVKDONJSA-N -1 0 329.408 3.346 20 30 EGEDRM Cc1ccc(C)c(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)c1 ZINC000737320442 1428113956 /nfs/dbraw/zinc/11/39/56/1428113956.db2.gz QYQKUFNOLNYIQK-VOTSOKGWSA-N -1 0 344.378 3.027 20 30 EGEDRM Cc1nc(-c2nn[n-]n2)c(N=NC2CCC[C@H]2c2ccc(C)cc2)o1 ZINC000737329449 1430006149 /nfs/dbraw/zinc/00/61/49/1430006149.db2.gz JWSHJHKCXRVWRU-ZDUSSCGKSA-N -1 0 337.387 3.207 20 30 EGEDRM CCCCCCCCOCC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825271592 1441442384 /nfs/dbraw/zinc/44/23/84/1441442384.db2.gz LHEXZPQSDAPWSL-UHFFFAOYSA-N -1 0 345.447 3.207 20 30 EGEDRM C#CCOc1ccccc1CNc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000823861524 1441459563 /nfs/dbraw/zinc/45/95/63/1441459563.db2.gz LRCOEYPUPNRWKB-UHFFFAOYSA-N -1 0 339.786 3.144 20 30 EGEDRM C[C@H](N=Cc1cc2ccccc2[nH]c1=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820308907 1443321404 /nfs/dbraw/zinc/32/14/04/1443321404.db2.gz ZKZZMBAZJILPJN-DQAKUKQTSA-N -1 0 344.378 3.301 20 30 EGEDRM COc1ccc(C=C2Cc3c(cccc3C)C2=O)cc1-c1nn[n-]n1 ZINC000737081561 1443775443 /nfs/dbraw/zinc/77/54/43/1443775443.db2.gz GGERVLSZIIFETI-JYRVWZFOSA-N -1 0 332.363 3.006 20 30 EGEDRM N#Cc1cccc(CSc2ccc(-c3nn[n-]n3)cc2F)c1F ZINC000826386668 1446135178 /nfs/dbraw/zinc/13/51/78/1446135178.db2.gz NUYXYXCTPCJUCO-UHFFFAOYSA-N -1 0 329.335 3.309 20 30 EGEDRM C=CCN(CC1CCCCC1)C(=O)c1sccc1-c1nn[n-]n1 ZINC000735418347 1446499252 /nfs/dbraw/zinc/49/92/52/1446499252.db2.gz BFQSCUNDBSEZHX-UHFFFAOYSA-N -1 0 331.445 3.137 20 30 EGEDRM C[C@@H](OC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccc(C#N)cc1 ZINC000820487760 1446908763 /nfs/dbraw/zinc/90/87/63/1446908763.db2.gz INLLLGQWIYDAKE-OCHBPSSRSA-N -1 0 345.362 3.056 20 30 EGEDRM Clc1cc(-c2nn[n-]n2)cc(N=NC=CCc2ccccc2)n1 ZINC000826350141 1447062748 /nfs/dbraw/zinc/06/27/48/1447062748.db2.gz JVHHQZIJEUPALV-CORJSSHVSA-N -1 0 325.763 3.026 20 30 EGEDRM C[C@H](CN=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)Cc1ccccc1 ZINC000824385173 1447105639 /nfs/dbraw/zinc/10/56/39/1447105639.db2.gz NLNVJEWMVIRCKI-NSHDSACASA-N -1 0 341.806 3.192 20 30 EGEDRM C[C@@H](Nc1nc2c(cc1-c1nn[n-]n1)CCCC2)c1ccc(C#N)cc1 ZINC000824662189 1447295284 /nfs/dbraw/zinc/29/52/84/1447295284.db2.gz FHITYUMGBYDLRL-GFCCVEGCSA-N -1 0 345.410 3.185 20 30 EGEDRM CCCCCCCC(=O)N[C@@H](C(=O)[O-])c1ccc(OC)c(F)c1 ZINC000836754911 939225896 /nfs/dbraw/zinc/22/58/96/939225896.db2.gz WDNWZZSMNHUNHF-MRXNPFEDSA-N -1 0 325.380 3.437 20 30 EGEDRM C=CC(C)(C)CC(=O)N[C@@H](C(=O)[O-])c1ccc(OC)c(Cl)c1 ZINC000909796109 939734860 /nfs/dbraw/zinc/73/48/60/939734860.db2.gz MKAYMEOIRMMBAR-CQSZACIVSA-N -1 0 325.792 3.193 20 30 EGEDRM Cc1csc(NC(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)c1C#N ZINC001600662853 970843233 /nfs/dbraw/zinc/84/32/33/970843233.db2.gz CPURPWQAKIJVPO-CQSZACIVSA-N -1 0 341.392 3.144 20 30 EGEDRM C=CCCO[C@H](C)C(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](C)C2 ZINC001602721956 971384754 /nfs/dbraw/zinc/38/47/54/971384754.db2.gz JUXXZXMZCJRREG-WDEREUQCSA-N -1 0 337.441 3.491 20 30 EGEDRM C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001602722633 971387406 /nfs/dbraw/zinc/38/74/06/971387406.db2.gz CNNTYYBGQFBPMC-UHFFFAOYSA-N -1 0 335.363 3.477 20 30 EGEDRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)C[C@@H](CC#N)c2ccccc2)C1 ZINC001589592586 949106770 /nfs/dbraw/zinc/10/67/70/949106770.db2.gz YHAXICPFFIPVES-VQIMIIECSA-N -1 0 328.412 3.177 20 30 EGEDRM CCN(C(=O)Nc1ccccc1C#Cc1ccccc1)[C@@H](C)C(=O)[O-] ZINC001589707261 950307097 /nfs/dbraw/zinc/30/70/97/950307097.db2.gz QLDRVENONBVPGU-HNNXBMFYSA-N -1 0 336.391 3.413 20 30 EGEDRM C[C@H](C#N)CSc1ccccc1NC(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000263480372 950485892 /nfs/dbraw/zinc/48/58/92/950485892.db2.gz KQKNMHLDCYQUIE-VXGBXAGGSA-N -1 0 335.429 3.123 20 30 EGEDRM CC(C)(C)c1csc(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)c1C#N ZINC001602925798 971891118 /nfs/dbraw/zinc/89/11/18/971891118.db2.gz ZMRZHNVMEVYEPZ-ZJUUUORDSA-N -1 0 335.429 3.292 20 30 EGEDRM O=C([O-])[C@@H]1c2ccccc2CC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC001594964309 955034586 /nfs/dbraw/zinc/03/45/86/955034586.db2.gz GNUOTVAKWIEBPZ-SFHVURJKSA-N -1 0 325.795 3.376 20 30 EGEDRM N#CC[C@@H](CC(=O)N1CCC(CCC(=O)[O-])CC1)c1ccccc1 ZINC001594606564 956185253 /nfs/dbraw/zinc/18/52/53/956185253.db2.gz VSQMNTAQAHFNNQ-KRWDZBQOSA-N -1 0 328.412 3.177 20 30 EGEDRM N#CCCCCC(=O)Nc1cc(C(=O)[O-])ccc1Br ZINC001594609192 956191009 /nfs/dbraw/zinc/19/10/09/956191009.db2.gz VBZREGNRKJVZAD-UHFFFAOYSA-N -1 0 325.162 3.170 20 30 EGEDRM N#Cc1cc(NC(=O)c2ccc(C(=O)[O-])cc2)ccc1Br ZINC001594616109 956238348 /nfs/dbraw/zinc/23/83/48/956238348.db2.gz ODLCOAFVUFIJRI-UHFFFAOYSA-N -1 0 345.152 3.271 20 30 EGEDRM N#Cc1ccc(OC(F)F)c(NC(=O)/C=C/c2ccc(C(=O)[O-])o2)c1 ZINC001594624040 956301448 /nfs/dbraw/zinc/30/14/48/956301448.db2.gz OPTWGUJXGPYPTO-ZZXKWVIFSA-N -1 0 348.261 3.103 20 30 EGEDRM N#Cc1ccccc1N(C(=O)c1coc(/C=C/C(=O)[O-])c1)C1CCC1 ZINC001594632423 956353395 /nfs/dbraw/zinc/35/33/95/956353395.db2.gz YNOOLBRQVVAOFM-CMDGGOBGSA-N -1 0 336.347 3.448 20 30 EGEDRM N#Cc1csc(CN2CCC(c3ccccc3C(=O)[O-])CC2)n1 ZINC001594634022 956360422 /nfs/dbraw/zinc/36/04/22/956360422.db2.gz BTFYVUMKNOEYQO-UHFFFAOYSA-N -1 0 327.409 3.093 20 30 EGEDRM C[C@H](OC(=O)[C@@](C)(C#N)CC(=O)[O-])c1ccc(Br)cc1 ZINC001589154404 956362567 /nfs/dbraw/zinc/36/25/67/956362567.db2.gz UDRSTSGBVWAQIK-LKFCYVNXSA-N -1 0 340.173 3.058 20 30 EGEDRM CC1(C)C[C@]1(C(=O)[O-])C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 ZINC001589217166 956732140 /nfs/dbraw/zinc/73/21/40/956732140.db2.gz GKRUSUCFUNOLNL-QGZVFWFLSA-N -1 0 341.392 3.121 20 30 EGEDRM C[C@H](NC(=O)N1CCCC[C@H]1CCC(=O)[O-])c1ccc(C#N)cc1 ZINC001341244066 957957031 /nfs/dbraw/zinc/95/70/31/957957031.db2.gz LBZCVLLMJGRTDS-BBRMVZONSA-N -1 0 329.400 3.048 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)N[C@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC001588409309 958126357 /nfs/dbraw/zinc/12/63/57/958126357.db2.gz DZOUFLXBQOIPQU-HOCLYGCPSA-N -1 0 348.830 3.096 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)Nc1cc(Cl)ccc1-c1ccc(C)o1 ZINC001588411399 958149262 /nfs/dbraw/zinc/14/92/62/958149262.db2.gz ZCCYLQVOVZNIAO-UHFFFAOYSA-N -1 0 346.770 3.460 20 30 EGEDRM C#CCN(CC(=O)[O-])Cc1ccccc1Oc1ccc(C)cc1OC ZINC001573320081 958475424 /nfs/dbraw/zinc/47/54/24/958475424.db2.gz HFAYGWOKYFVWAW-UHFFFAOYSA-N -1 0 339.391 3.316 20 30 EGEDRM C=CCN(Cc1cccs1)C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001588464245 958490407 /nfs/dbraw/zinc/49/04/07/958490407.db2.gz JVXZFRPNMRTDRM-UHFFFAOYSA-N -1 0 331.393 3.040 20 30 EGEDRM CC(C)C[C@H](CNc1cc(Br)ccc1C#N)C(=O)[O-] ZINC000122998734 958494087 /nfs/dbraw/zinc/49/40/87/958494087.db2.gz CWZMJGZNPAECHG-LLVKDONJSA-N -1 0 325.206 3.480 20 30 EGEDRM C=C[C@@H]1OCC[C@H]1C(=O)Nc1sc2c(c1C(=O)[O-])CCC(C)(C)C2 ZINC001573336657 958519661 /nfs/dbraw/zinc/51/96/61/958519661.db2.gz GCSZRZXGZZYQSP-PWSUYJOCSA-N -1 0 349.452 3.491 20 30 EGEDRM CC(C)CN(Cc1cccc(Cl)c1)C(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC001573523000 959131794 /nfs/dbraw/zinc/13/17/94/959131794.db2.gz RYDBNPMVTXAOQT-QGZVFWFLSA-N -1 0 336.819 3.329 20 30 EGEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-] ZINC001573608684 959469006 /nfs/dbraw/zinc/46/90/06/959469006.db2.gz WLJUMTFLYYSNAV-BBRMVZONSA-N -1 0 330.428 3.133 20 30 EGEDRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1 ZINC001588635331 959652203 /nfs/dbraw/zinc/65/22/03/959652203.db2.gz IIQTZFJDGGRFQZ-NWDGAFQWSA-N -1 0 342.317 3.133 20 30 EGEDRM CC1(C(=O)[O-])CCN(c2cc(C(F)(F)F)c(F)cc2C#N)CC1 ZINC001573653867 959660192 /nfs/dbraw/zinc/66/01/92/959660192.db2.gz QCUNBIYCCVHJPC-UHFFFAOYSA-N -1 0 330.281 3.407 20 30 EGEDRM Cc1c2cc(C#N)ccc2sc1C(=O)N(CC(=O)[O-])C1CCC1 ZINC001574296872 960698668 /nfs/dbraw/zinc/69/86/68/960698668.db2.gz SIIRAPUKNPRHNF-UHFFFAOYSA-N -1 0 328.393 3.161 20 30 EGEDRM Cc1cc(C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)cc(C)c1C#N ZINC001574312758 960771577 /nfs/dbraw/zinc/77/15/77/960771577.db2.gz VVAOZLAUHWPTDK-RBUKOAKNSA-N -1 0 348.402 3.116 20 30 EGEDRM Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@H](C)C(=O)[O-] ZINC001574333386 960900594 /nfs/dbraw/zinc/90/05/94/960900594.db2.gz OXMJVIPMQZBUAA-ZDUSSCGKSA-N -1 0 340.354 3.260 20 30 EGEDRM C[C@H](Oc1ccc(CN=Nc2ccc(C(C)(C)C)nn2)cc1)C(=O)[O-] ZINC001321817911 961003193 /nfs/dbraw/zinc/00/31/93/961003193.db2.gz DCXJBCATQONRFO-LBPRGKRZSA-N -1 0 342.399 3.072 20 30 EGEDRM C=CCOc1ccc(CN(C)Cc2cc(C(=O)[O-])c(C)o2)cc1OC ZINC001339117792 962004141 /nfs/dbraw/zinc/00/41/41/962004141.db2.gz LWLRNZJPLQGDCZ-UHFFFAOYSA-N -1 0 345.395 3.492 20 30 EGEDRM CC(C)C[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)C(=O)[O-] ZINC001588862876 962008751 /nfs/dbraw/zinc/00/87/51/962008751.db2.gz KFWPBTFMUANLAY-MRXNPFEDSA-N -1 0 343.427 3.181 20 30 EGEDRM C=CCOC[C@H](NC(=O)c1ccc(C2CCCCC2)cc1)C(=O)[O-] ZINC000263177347 962331648 /nfs/dbraw/zinc/33/16/48/962331648.db2.gz ZIABUTXLEDMWLJ-KRWDZBQOSA-N -1 0 331.412 3.120 20 30 EGEDRM C#CCCOc1ccc(C(=O)NCc2cccc(NC(=O)[O-])c2)cc1 ZINC001573302255 962648595 /nfs/dbraw/zinc/64/85/95/962648595.db2.gz STGZGYBBQHGZOA-UHFFFAOYSA-N -1 0 338.363 3.109 20 30 EGEDRM C#CCC1(NC(=O)Nc2nc(C(C)(C)C(=O)[O-])cs2)CCCCC1 ZINC001573303048 962668044 /nfs/dbraw/zinc/66/80/44/962668044.db2.gz JSVGLKPWFSGVPA-UHFFFAOYSA-N -1 0 349.456 3.353 20 30 EGEDRM C#CC[C@@H](NC(=O)N1CCc2cc(C(=O)[O-])ccc2C1)c1ccccc1 ZINC001573303458 962677518 /nfs/dbraw/zinc/67/75/18/962677518.db2.gz XQELGRPJVXJYAI-LJQANCHMSA-N -1 0 348.402 3.217 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1nnc(-c2cc(C)cc(C)c2)s1 ZINC001573339656 962892668 /nfs/dbraw/zinc/89/26/68/962892668.db2.gz UZLZARQPXFNFOY-UHFFFAOYSA-N -1 0 331.397 3.181 20 30 EGEDRM C=C[C@H](C(=O)Nc1cc(C(=O)[O-])cc(C(=O)OC)c1)c1ccccc1 ZINC001573345017 962924709 /nfs/dbraw/zinc/92/47/09/962924709.db2.gz DPVWPMJOOMTCTD-INIZCTEOSA-N -1 0 339.347 3.080 20 30 EGEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001573369171 963092504 /nfs/dbraw/zinc/09/25/04/963092504.db2.gz XKGIJICYFFGXHC-LUAWRHEFSA-N -1 0 341.363 3.214 20 30 EGEDRM CC(C)(C#N)c1ccc(C(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)cc1 ZINC001573382271 963114821 /nfs/dbraw/zinc/11/48/21/963114821.db2.gz XWXCARTYIDFLPR-SFHVURJKSA-N -1 0 348.402 3.312 20 30 EGEDRM CC(C)(C#N)c1ccc(C(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)cc1 ZINC001573382270 963114904 /nfs/dbraw/zinc/11/49/04/963114904.db2.gz XWXCARTYIDFLPR-GOSISDBHSA-N -1 0 348.402 3.312 20 30 EGEDRM CC(C)(C#N)c1ccc(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])cc1 ZINC001609744309 970511792 /nfs/dbraw/zinc/51/17/92/970511792.db2.gz VTEKWLXSIMVTQR-OIISXLGYSA-N -1 0 340.423 3.346 20 30 EGEDRM C=CCCCCCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000320505513 970671174 /nfs/dbraw/zinc/67/11/74/970671174.db2.gz KPNQPLRSDOXLJN-UHFFFAOYSA-N -1 0 345.848 3.453 20 30 EGEDRM Cc1cc(F)c(C#N)cc1NC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-] ZINC001605180376 972899147 /nfs/dbraw/zinc/89/91/47/972899147.db2.gz XTNNSROOABIHTD-ZDUSSCGKSA-N -1 0 335.379 3.407 20 30 EGEDRM N#Cc1ccc(Nc2cccc(C(=O)N(CC(=O)[O-])CC3CC3)c2)cc1 ZINC001605613081 973930530 /nfs/dbraw/zinc/93/05/30/973930530.db2.gz WGLPCJVQSHRWQH-UHFFFAOYSA-N -1 0 349.390 3.239 20 30 EGEDRM CCOc1ccc(C#N)cc1NC(=O)N1CCC[C@@](CC)(C(=O)[O-])C1 ZINC001603861979 974366635 /nfs/dbraw/zinc/36/66/35/974366635.db2.gz FSAODLGOQYBBSX-GOSISDBHSA-N -1 0 345.399 3.066 20 30 EGEDRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(C#N)cc1F ZINC001591771714 975898314 /nfs/dbraw/zinc/89/83/14/975898314.db2.gz AWTNWFZRSTZAEH-UHFFFAOYSA-N -1 0 342.326 3.435 20 30 EGEDRM CC(C)c1ccc(C2(C(=O)N(CC#N)CCC(=O)[O-])CCCC2)cc1 ZINC001591949316 976505445 /nfs/dbraw/zinc/50/54/45/976505445.db2.gz UPCWPBDOLRILAA-UHFFFAOYSA-N -1 0 342.439 3.449 20 30 EGEDRM C[C@H](CC#Cc1cccnc1)OC(=O)[C@@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC001592211146 977258954 /nfs/dbraw/zinc/25/89/54/977258954.db2.gz JCTYJOSYNUZEOE-FPDPHYFHSA-N -1 0 349.386 3.013 20 30 EGEDRM C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001592225583 977410692 /nfs/dbraw/zinc/41/06/92/977410692.db2.gz CFJKJCNSXSBNDX-XQQFMLRXSA-N -1 0 347.440 3.456 20 30 EGEDRM C[C@H](CCCC#C[Si](C)(C)C)OC(=O)c1ccc(C(=O)[O-])nc1 ZINC001592478729 978253856 /nfs/dbraw/zinc/25/38/56/978253856.db2.gz XZUGNVQPLOTJEF-CYBMUJFWSA-N -1 0 333.460 3.376 20 30 EGEDRM Cn1c(C=NNc2cccc(C(=O)[O-])c2)nc2ccc(Cl)cc21 ZINC000763337426 978720615 /nfs/dbraw/zinc/72/06/15/978720615.db2.gz DYXHGVHKAAZLTK-UHFFFAOYSA-N -1 0 328.759 3.371 20 30 EGEDRM O=C([O-])c1ccc(N=NCc2cc(Cl)c3c(c2)OCCCO3)nc1 ZINC000763368265 978721379 /nfs/dbraw/zinc/72/13/79/978721379.db2.gz KQTHHUXEUOXAJA-UHFFFAOYSA-N -1 0 347.758 3.041 20 30 EGEDRM O=C([O-])c1ccc(N=NCc2c(Cl)cccc2OC(F)F)nc1 ZINC000763371924 978722504 /nfs/dbraw/zinc/72/25/04/978722504.db2.gz MAPONGNIWXDHMW-UHFFFAOYSA-N -1 0 341.701 3.481 20 30 EGEDRM O=C([O-])c1ccc(N=NCc2cnn(-c3ccc(Cl)cc3)c2)nc1 ZINC000763372454 978722576 /nfs/dbraw/zinc/72/25/76/978722576.db2.gz YQVQSIOYKBVZSV-UHFFFAOYSA-N -1 0 341.758 3.065 20 30 EGEDRM Cc1nn(-c2ccccn2)c(C)c1C=NNc1ccccc1C(=O)[O-] ZINC000802709135 978849013 /nfs/dbraw/zinc/84/90/13/978849013.db2.gz NXDKXKJVWOOHIE-UHFFFAOYSA-N -1 0 335.367 3.028 20 30 EGEDRM O=C([O-])COc1ccc(/C=C2\Cc3nc(Cl)ccc3C2=O)cc1 ZINC000806579517 978850915 /nfs/dbraw/zinc/85/09/15/978850915.db2.gz JBZSEEAZRFWAPN-YRNVUSSQSA-N -1 0 329.739 3.021 20 30 EGEDRM CCCCC[C@H](C)CNC(=S)NN=C1CCC(C(=O)[O-])CC1 ZINC000814731168 978877484 /nfs/dbraw/zinc/87/74/84/978877484.db2.gz XYIYVWSXDCQRGA-UEWDXFNNSA-N -1 0 327.494 3.298 20 30 EGEDRM C#C[C@H](NC(=O)NCC(CC)(CC)C(=O)[O-])c1ccc(Cl)cc1 ZINC000818627054 978921352 /nfs/dbraw/zinc/92/13/52/978921352.db2.gz FEGJTCCYMJVKBL-AWEZNQCLSA-N -1 0 336.819 3.205 20 30 EGEDRM C=C(Cl)CN1Cc2cccc(Br)c2C[C@@H]1C(=O)[O-] ZINC000846275755 979443338 /nfs/dbraw/zinc/44/33/38/979443338.db2.gz JTSMPLHQWBOYSL-GFCCVEGCSA-N -1 0 330.609 3.013 20 30 EGEDRM CCC(CC)CN(CCC#N)CC(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC001595111622 979459533 /nfs/dbraw/zinc/45/95/33/979459533.db2.gz QTSZXPAXFQGBNC-UHFFFAOYSA-N -1 0 333.432 3.164 20 30 EGEDRM Cc1nn(C(C)(C)C)c(C)c1C=NNc1ccc(CC(=O)[O-])cc1 ZINC000848414840 979468075 /nfs/dbraw/zinc/46/80/75/979468075.db2.gz FHSRACWOOPSCCF-UHFFFAOYSA-N -1 0 328.416 3.328 20 30 EGEDRM COc1cc2c(cc1C=NNc1ccc(CC(=O)[O-])cc1)O[C@@H](C)C2 ZINC000848416092 979468338 /nfs/dbraw/zinc/46/83/38/979468338.db2.gz YPBBOOICYGWURS-LBPRGKRZSA-N -1 0 340.379 3.092 20 30 EGEDRM CCCCCCCC[C@H](C)C(=O)N1CC[C@@H](OC)C[C@@H]1C(=O)[O-] ZINC000851622495 979555201 /nfs/dbraw/zinc/55/52/01/979555201.db2.gz BIHXTNHTPDHPSC-ARFHVFGLSA-N -1 0 327.465 3.464 20 30 EGEDRM C[C@](Cc1ccc(Cl)cc1)(NC(=O)c1cccc(C#N)c1)C(=O)[O-] ZINC001592841002 979611389 /nfs/dbraw/zinc/61/13/89/979611389.db2.gz WESTWVYQLVGNEK-GOSISDBHSA-N -1 0 342.782 3.027 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)c1cccc(SC(F)(F)F)c1)C(=O)[O-] ZINC000864187913 979834938 /nfs/dbraw/zinc/83/49/38/979834938.db2.gz QCRISVSMKADKKI-LLVKDONJSA-N -1 0 333.331 3.448 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)c1ccc(OC(F)(F)F)c(C)c1)C(=O)[O-] ZINC000864187786 979834997 /nfs/dbraw/zinc/83/49/97/979834997.db2.gz OOSJPIKHTUYVAM-LLVKDONJSA-N -1 0 331.290 3.043 20 30 EGEDRM CC[C@@](NC(=O)c1ccc(C#N)s1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595265985 980279783 /nfs/dbraw/zinc/27/97/83/980279783.db2.gz OZUUKEVQPMNDIO-INIZCTEOSA-N -1 0 348.811 3.393 20 30 EGEDRM CC[C@H](OC(=O)c1cccc(COc2cccc(C#N)c2)c1)C(=O)[O-] ZINC001595351472 980657235 /nfs/dbraw/zinc/65/72/35/980657235.db2.gz FGWBDHYFCBXNTJ-KRWDZBQOSA-N -1 0 339.347 3.157 20 30 EGEDRM C=C1CCC(C(=O)N[C@H](CC(=O)[O-])c2ccc(OC)c(OC)c2)CC1 ZINC000908588830 981323357 /nfs/dbraw/zinc/32/33/57/981323357.db2.gz GNKVXMCZYZGGMW-OAHLLOKOSA-N -1 0 347.411 3.082 20 30 EGEDRM CCCC[C@H](ON=C(C)C)C(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1 ZINC001595651241 982019209 /nfs/dbraw/zinc/01/92/09/982019209.db2.gz DKMQGDNLWFOMPC-JKSUJKDBSA-N -1 0 334.416 3.242 20 30 EGEDRM CCCC[C@@H](ON=C(C)C)C(=O)N[C@H](C(=O)[O-])C1CCCCC1 ZINC001595651800 982026580 /nfs/dbraw/zinc/02/65/80/982026580.db2.gz KPPFXFLBOCBBAJ-CABCVRRESA-N -1 0 326.437 3.107 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1sccc1Br)C(=O)[O-] ZINC000910914115 982161777 /nfs/dbraw/zinc/16/17/77/982161777.db2.gz HUEFUVSSFHEOHC-VIFPVBQESA-N -1 0 332.219 3.050 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1cnn(C2CCCCC2)c1C)C(=O)[O-] ZINC000910915836 982162631 /nfs/dbraw/zinc/16/26/31/982162631.db2.gz BRIOVFRCBUGYNX-MRXNPFEDSA-N -1 0 333.432 3.236 20 30 EGEDRM CCCCCCCS(=O)(=O)N[C@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC001595709061 982290361 /nfs/dbraw/zinc/29/03/61/982290361.db2.gz RTZNDSKHAKZNLV-MRXNPFEDSA-N -1 0 333.494 3.300 20 30 EGEDRM O=C([O-])COc1ccc(CN=Nc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000915976223 982670791 /nfs/dbraw/zinc/67/07/91/982670791.db2.gz QIFOVELILYFRNQ-UHFFFAOYSA-N -1 0 349.730 3.158 20 30 EGEDRM COc1cc2c(cc1C=NNc1cccc(C(=O)[O-])c1)O[C@@H](C)C2 ZINC000916540018 982676478 /nfs/dbraw/zinc/67/64/78/982676478.db2.gz JTIXEMZPTJMJBL-NSHDSACASA-N -1 0 326.352 3.163 20 30 EGEDRM N#C[C@]1(C(=O)NCC2(CC(=O)[O-])CCCCC2)CC2CCC1CC2 ZINC000923071007 982705870 /nfs/dbraw/zinc/70/58/70/982705870.db2.gz ZQUZFFGQHVZIFK-JFIBYHEFSA-N -1 0 332.444 3.248 20 30 EGEDRM CCCNc1ccc(C#N)cc1NC(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC001595937345 983084112 /nfs/dbraw/zinc/08/41/12/983084112.db2.gz ZYNBLFWIXQLFTE-YVMONPNESA-N -1 0 339.351 3.323 20 30 EGEDRM C#C[C@H](NC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1)c1ccccc1 ZINC001588373676 983339422 /nfs/dbraw/zinc/33/94/22/983339422.db2.gz ISWHVUZVVAZADL-AWEZNQCLSA-N -1 0 330.290 3.159 20 30 EGEDRM C#C[C@@H](NC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12)C(C)C ZINC001588374215 983342127 /nfs/dbraw/zinc/34/21/27/983342127.db2.gz RFGKSYMTDIVQSH-OAHLLOKOSA-N -1 0 340.379 3.083 20 30 EGEDRM C#C[C@@H](NC(=O)Nc1cccc(C(=O)[O-])c1C)c1ccc(F)cc1 ZINC001588374550 983345144 /nfs/dbraw/zinc/34/51/44/983345144.db2.gz ZKRZGBIMVFGEQG-OAHLLOKOSA-N -1 0 326.327 3.328 20 30 EGEDRM C#CC1(NC(=O)Nc2cccc(C(=O)[O-])c2OC(C)C)CCCC1 ZINC001588379315 983363721 /nfs/dbraw/zinc/36/37/21/983363721.db2.gz CZBKAGXYYAILNC-UHFFFAOYSA-N -1 0 330.384 3.240 20 30 EGEDRM C#CCC1(C(=O)N2C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C2)CCCCC1 ZINC001588428646 983463011 /nfs/dbraw/zinc/46/30/11/983463011.db2.gz WOFBUEIOYHYOCO-QWHCGFSZSA-N -1 0 345.361 3.072 20 30 EGEDRM C#CCCOc1ccc(C(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC001588455223 983479227 /nfs/dbraw/zinc/47/92/27/983479227.db2.gz HRVVZYPSVGTXSS-MRXNPFEDSA-N -1 0 343.423 3.052 20 30 EGEDRM C#CCN(C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1)C1CCCC1 ZINC001588460190 983487010 /nfs/dbraw/zinc/48/70/10/983487010.db2.gz UHYLNRNDBMGKIG-CQSZACIVSA-N -1 0 328.412 3.360 20 30 EGEDRM C#CCN(C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1)C1CCCC1 ZINC001588460189 983487182 /nfs/dbraw/zinc/48/71/82/983487182.db2.gz UHYLNRNDBMGKIG-AWEZNQCLSA-N -1 0 328.412 3.360 20 30 EGEDRM C#CCN(Cc1ccccc1)C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001588469998 983504301 /nfs/dbraw/zinc/50/43/01/983504301.db2.gz YGZISPDMHIKXAO-UHFFFAOYSA-N -1 0 340.354 3.120 20 30 EGEDRM C#CCN1C(=O)c2ccccc2N[C@@]12CCC[C@H](CCCC(=O)[O-])C2 ZINC001588471445 983506167 /nfs/dbraw/zinc/50/61/67/983506167.db2.gz OBPJKMZEXULFJR-YWZLYKJASA-N -1 0 340.423 3.329 20 30 EGEDRM C#Cc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)cc1 ZINC001588511538 983559819 /nfs/dbraw/zinc/55/98/19/983559819.db2.gz YABHUBRGLXISOC-OAHLLOKOSA-N -1 0 347.292 3.242 20 30 EGEDRM C#Cc1ccccc1CC(=O)N1CCCc2c(C(=O)[O-])ccc(C)c21 ZINC001588524561 983575305 /nfs/dbraw/zinc/57/53/05/983575305.db2.gz NPTULPZOUULLLQ-UHFFFAOYSA-N -1 0 333.387 3.196 20 30 EGEDRM C#Cc1ccccc1CC(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001588528701 983577910 /nfs/dbraw/zinc/57/79/10/983577910.db2.gz DWXGBEJRWICOKV-IBGZPJMESA-N -1 0 347.414 3.145 20 30 EGEDRM C=C(C)[C@@H](NC(=O)Nc1cccc(C(=O)[O-])n1)c1ccc(F)c(F)c1 ZINC001588534683 983586653 /nfs/dbraw/zinc/58/66/53/983586653.db2.gz IAVYPCZJWIHBCU-OAHLLOKOSA-N -1 0 347.321 3.497 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)[C@H](c1ccncc1)C1CCCCC1)C(=O)[O-] ZINC001588537619 983601300 /nfs/dbraw/zinc/60/13/00/983601300.db2.gz UCDIYXQFKJXLOB-SJORKVTESA-N -1 0 330.428 3.281 20 30 EGEDRM C=C(C)C[C@H](NC(=O)/C=C\Sc1cc(F)ccc1F)C(=O)[O-] ZINC001588541050 983606334 /nfs/dbraw/zinc/60/63/34/983606334.db2.gz RISWNXBVMQUOOI-FJOGCWAESA-N -1 0 327.352 3.106 20 30 EGEDRM C=C(C)C[C@H](NC(=O)Cc1coc(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC001588542908 983609982 /nfs/dbraw/zinc/60/99/82/983609982.db2.gz TWOFZKNYFWPDEE-AWEZNQCLSA-N -1 0 348.786 3.073 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)c1ccc(C)c(Oc2ccncc2)c1)C(=O)[O-] ZINC001588547310 983619594 /nfs/dbraw/zinc/61/95/94/983619594.db2.gz XKYBTGHDOZMCIE-MRXNPFEDSA-N -1 0 340.379 3.332 20 30 EGEDRM C=C(C)Cn1c(C(CC)CC)nnc1N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC001588588935 983665253 /nfs/dbraw/zinc/66/52/53/983665253.db2.gz CXXUGLQQQRFDLZ-HIFRSBDPSA-N -1 0 334.464 3.305 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)NCc1ccc(OC)cc1OC1CCCC1 ZINC001588629886 983739836 /nfs/dbraw/zinc/73/98/36/983739836.db2.gz LWVVSNUVAUKFQK-UHFFFAOYSA-N -1 0 347.411 3.054 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC001588634451 983753135 /nfs/dbraw/zinc/75/31/35/983753135.db2.gz VKVINHNYAJQRSJ-UHFFFAOYSA-N -1 0 331.368 3.478 20 30 EGEDRM C=C(Cl)CNC(=O)Nc1ccc(Oc2ccnc(C(=O)[O-])c2)cc1 ZINC001588642527 983764650 /nfs/dbraw/zinc/76/46/50/983764650.db2.gz VIZSIHMPYKVTFT-UHFFFAOYSA-N -1 0 347.758 3.446 20 30 EGEDRM C=C[C@@H](C(=O)N(C)Cc1ccc(OCC(=O)[O-])cc1)c1ccccc1 ZINC001588660780 983784974 /nfs/dbraw/zinc/78/49/74/983784974.db2.gz AANRNIHDZQXQLR-GOSISDBHSA-N -1 0 339.391 3.078 20 30 EGEDRM C=C[C@H]1CCCCN1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001588719809 983962907 /nfs/dbraw/zinc/96/29/07/983962907.db2.gz XTSKXYLSNJOUNV-LBPRGKRZSA-N -1 0 333.344 3.174 20 30 EGEDRM C=CC[C@@H](Cc1ccccc1)NC(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC001588743940 984039828 /nfs/dbraw/zinc/03/98/28/984039828.db2.gz FTYIXPDHCSNDIK-DZIBYMRMSA-N -1 0 327.424 3.325 20 30 EGEDRM C=CC[C@H](Nc1cccc2c1CCN2C(=O)OC(C)(C)C)C(=O)[O-] ZINC001588750194 984070554 /nfs/dbraw/zinc/07/05/54/984070554.db2.gz CRACHTFJZDGMEI-AWEZNQCLSA-N -1 0 332.400 3.425 20 30 EGEDRM C=CC[C@H](Sc1nnc(-c2ccc(F)cc2)n1CC=C)C(=O)[O-] ZINC001588759158 984110211 /nfs/dbraw/zinc/11/02/11/984110211.db2.gz QKXLSFAFBLIRMB-ZDUSSCGKSA-N -1 0 333.388 3.392 20 30 EGEDRM C=CCCC[C@@H](NC(=O)CCc1ccc2ccccc2c1O)C(=O)[O-] ZINC001588788400 984189489 /nfs/dbraw/zinc/18/94/89/984189489.db2.gz AVWZETDXQOXWQB-QGZVFWFLSA-N -1 0 341.407 3.404 20 30 EGEDRM C=CCCC[C@H](NC(=O)Cc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC001588788952 984195279 /nfs/dbraw/zinc/19/52/79/984195279.db2.gz SNXSIDDFADBTNA-ZDUSSCGKSA-N -1 0 330.211 3.462 20 30 EGEDRM C=CCCC[C@@H](NC(=O)/C=C/Sc1cc(F)ccc1F)C(=O)[O-] ZINC001588789741 984200915 /nfs/dbraw/zinc/20/09/15/984200915.db2.gz ISJKQLRAFMHXCB-MMQHEFTJSA-N -1 0 341.379 3.496 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1ccc(-n2nc(C)cc2C)cc1)C(=O)[O-] ZINC001588792462 984209478 /nfs/dbraw/zinc/20/94/78/984209478.db2.gz HUAVMDQXQHXCRB-QGZVFWFLSA-N -1 0 341.411 3.028 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1ccc(Nc2cccnc2)cc1)C(=O)[O-] ZINC001588792572 984210928 /nfs/dbraw/zinc/21/09/28/984210928.db2.gz BEZNSDVYBVPOQB-QGZVFWFLSA-N -1 0 339.395 3.365 20 30 EGEDRM C=CCCC[C@H](NC(=O)Cc1coc2c1ccc(OC)c2C)C(=O)[O-] ZINC001588794104 984224618 /nfs/dbraw/zinc/22/46/18/984224618.db2.gz LKPAZWZABUFBST-HNNXBMFYSA-N -1 0 345.395 3.218 20 30 EGEDRM C=CCCC[C@@H](NC(=O)Cc1scnc1-c1ccccc1)C(=O)[O-] ZINC001588794479 984227564 /nfs/dbraw/zinc/22/75/64/984227564.db2.gz VWIVQRRRWLMGMO-CQSZACIVSA-N -1 0 344.436 3.278 20 30 EGEDRM C=CCCc1ccccc1NS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC001588817622 984277164 /nfs/dbraw/zinc/27/71/64/984277164.db2.gz QTHBFJZQOBMSCA-UHFFFAOYSA-N -1 0 347.392 3.010 20 30 EGEDRM C=CCN(CC(=O)Nc1ccsc1C(=O)[O-])Cc1ccccc1 ZINC001588823886 984294147 /nfs/dbraw/zinc/29/41/47/984294147.db2.gz AGYDLOCJZGTCJE-UHFFFAOYSA-N -1 0 330.409 3.073 20 30 EGEDRM C=CCN(CCc1ccccc1)C(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001588828836 984309410 /nfs/dbraw/zinc/30/94/10/984309410.db2.gz PVMDPILQTFNSPB-UHFFFAOYSA-N -1 0 344.455 3.462 20 30 EGEDRM C=CCN(CCc1ccccc1)C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC001588829022 984310744 /nfs/dbraw/zinc/31/07/44/984310744.db2.gz YQLCSBQNAWFTRJ-PKNBQFBNSA-N -1 0 325.364 3.248 20 30 EGEDRM C=CCN(Cc1cccc(C#N)c1)C(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC001588832297 984320475 /nfs/dbraw/zinc/32/04/75/984320475.db2.gz AYGCXRUSZRUZEU-VOTSOKGWSA-N -1 0 336.347 3.077 20 30 EGEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC001588832326 984321559 /nfs/dbraw/zinc/32/15/59/984321559.db2.gz CTJFUXTZOSYJJC-PKNBQFBNSA-N -1 0 341.363 3.214 20 30 EGEDRM C=CCN1C(=O)N[C@H](c2ccc(C(F)(F)F)s2)C(C(=O)[O-])=C1C ZINC001588832536 984323771 /nfs/dbraw/zinc/32/37/71/984323771.db2.gz RGLYVLHKKHYQNB-LLVKDONJSA-N -1 0 346.330 3.378 20 30 EGEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(C(=O)[O-])nc1 ZINC001588832763 984325942 /nfs/dbraw/zinc/32/59/42/984325942.db2.gz OYOBRMPYQZGDAF-UHFFFAOYSA-N -1 0 341.367 3.009 20 30 EGEDRM C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccccc1CCC(=O)[O-] ZINC001588832755 984326050 /nfs/dbraw/zinc/32/60/50/984326050.db2.gz OQEGDINGVJMEEK-UHFFFAOYSA-N -1 0 348.402 3.404 20 30 EGEDRM C=CCOCCCC(=O)Nc1c2ccc(C)nc2sc1C(=O)[O-] ZINC001588866271 984423985 /nfs/dbraw/zinc/42/39/85/984423985.db2.gz CYTPLYPLIGUFJR-UHFFFAOYSA-N -1 0 334.397 3.224 20 30 EGEDRM C=CCOc1ccc(C(F)(F)F)cc1C(=O)O[C@@H](C(=O)[O-])C1CC1 ZINC001588875060 984450509 /nfs/dbraw/zinc/45/05/09/984450509.db2.gz SZBVYAZDLAYTEQ-CYBMUJFWSA-N -1 0 344.285 3.290 20 30 EGEDRM C=CCn1c(-c2ccc(C)cc2C)nnc1N1CC[C@](C)(C(=O)[O-])C1 ZINC001588888901 984476336 /nfs/dbraw/zinc/47/63/36/984476336.db2.gz HTTCBPGGOMVLCW-IBGZPJMESA-N -1 0 340.427 3.049 20 30 EGEDRM C=CCn1cnnc1S[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC001588909032 984541911 /nfs/dbraw/zinc/54/19/11/984541911.db2.gz GFPXBZLUDIPDJF-NSHDSACASA-N -1 0 327.768 3.175 20 30 EGEDRM Cc1[nH]c2ccccc2c1C(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC001599965612 985898798 /nfs/dbraw/zinc/89/87/98/985898798.db2.gz OEIIVUCUCYAXPW-UHFFFAOYSA-N -1 0 334.331 3.403 20 30 EGEDRM Cc1c2cc(C#N)ccc2sc1C(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001599975683 986085753 /nfs/dbraw/zinc/08/57/53/986085753.db2.gz LDZZEMPDJXPYTJ-TXEJJXNPSA-N -1 0 328.393 3.017 20 30 EGEDRM CCOc1ccc(C[C@@H](CNc2c(C#N)cccc2C#N)C(=O)[O-])cc1 ZINC001597095946 986699710 /nfs/dbraw/zinc/69/97/10/986699710.db2.gz WCFVMGDFEDAZIE-KRWDZBQOSA-N -1 0 349.390 3.184 20 30 EGEDRM CCOc1ccc(O)c(/C=N\C[C@](C)(C(=O)[O-])c2ccccc2)c1 ZINC001597130870 986853578 /nfs/dbraw/zinc/85/35/78/986853578.db2.gz YHSYDENRHASDDE-SCWSXOCZSA-N -1 0 327.380 3.252 20 30 EGEDRM CC[C@H](C#N)[C@@H](OC(=O)c1ccc(C(=O)[O-])n1C)c1cccs1 ZINC001594722744 987216567 /nfs/dbraw/zinc/21/65/67/987216567.db2.gz TYOYEGMTCPZBLW-QMTHXVAHSA-N -1 0 332.381 3.233 20 30 EGEDRM CCc1ccc([C@@H](C#N)N(C)C(=O)c2c(C)coc2CC(=O)[O-])cc1 ZINC001597508790 988088270 /nfs/dbraw/zinc/08/82/70/988088270.db2.gz UUFAJAUVLBQZGJ-OAHLLOKOSA-N -1 0 340.379 3.114 20 30 EGEDRM CSc1ccc(CNC(=O)c2cc(C)cc(C(=O)[O-])c2)cc1C#N ZINC001599812721 988365885 /nfs/dbraw/zinc/36/58/85/988365885.db2.gz AALFYGSAISKZOT-UHFFFAOYSA-N -1 0 340.404 3.217 20 30 EGEDRM CCc1sc(C(=O)[O-])cc1-c1ccc(F)c(C[C@H](C#N)CO)c1 ZINC001597820951 989463058 /nfs/dbraw/zinc/46/30/58/989463058.db2.gz UIMADGNYVCSLGN-SNVBAGLBSA-N -1 0 333.384 3.489 20 30 EGEDRM CN(C(=O)[C@@H](C#N)CCc1ccccc1)[C@@H](C(=O)[O-])c1ccccc1 ZINC001597989669 990075827 /nfs/dbraw/zinc/07/58/27/990075827.db2.gz CXKWRRSDOQEYJR-QZTJIDSGSA-N -1 0 336.391 3.043 20 30 EGEDRM CC(C)(C)c1csc(NC(=O)c2csc(C(=O)[O-])n2)c1C#N ZINC001590537446 990154849 /nfs/dbraw/zinc/15/48/49/990154849.db2.gz WZAQFBOOKSLECN-UHFFFAOYSA-N -1 0 335.410 3.324 20 30 EGEDRM CC(C)(Cc1ccc(C#N)cc1)NC(=O)NCCCCCCC(=O)[O-] ZINC001590822193 990664340 /nfs/dbraw/zinc/66/43/40/990664340.db2.gz ZIXAIEBXSJYLKA-UHFFFAOYSA-N -1 0 345.443 3.214 20 30 EGEDRM CC(C)CN(C(=O)c1cc2ccccc2n1CC#N)C(C)(C)C(=O)[O-] ZINC001591284598 992219559 /nfs/dbraw/zinc/21/95/59/992219559.db2.gz AYSSVCCZGGJVSF-UHFFFAOYSA-N -1 0 341.411 3.126 20 30 EGEDRM CN(Cc1cc(C#N)cs1)C(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC001598506504 992509583 /nfs/dbraw/zinc/50/95/83/992509583.db2.gz BIUOWFVIEOTPMT-UHFFFAOYSA-N -1 0 349.456 3.186 20 30 EGEDRM CN(Cc1ccc(OCC(=O)[O-])cc1)c1cc(C#N)c2ccccc2n1 ZINC001598523839 992693660 /nfs/dbraw/zinc/69/36/60/992693660.db2.gz HAMRCXYYPGEXBC-UHFFFAOYSA-N -1 0 347.374 3.206 20 30 EGEDRM C[C@@H](NC(=O)N1CCc2cccc(C(=O)[O-])c2C1)c1ccc(C#N)cc1 ZINC001593071898 993628114 /nfs/dbraw/zinc/62/81/14/993628114.db2.gz ZQPOMWIDFQDDJL-CYBMUJFWSA-N -1 0 349.390 3.085 20 30 EGEDRM CC(C)n1cc(C(=O)/C=C/c2ccccc2O[C@H](C)C(=O)[O-])cn1 ZINC001593645648 995976463 /nfs/dbraw/zinc/97/64/63/995976463.db2.gz SRJYBPQFLCWNNY-MMQHEFTJSA-N -1 0 328.368 3.212 20 30 EGEDRM CC(C)(C(=O)[O-])[C@@H](NC(=O)N1CCC[C@](C)(C#N)C1)c1ccccc1 ZINC001593739940 996354708 /nfs/dbraw/zinc/35/47/08/996354708.db2.gz MSYZHNHUUIKNIC-HNAYVOBHSA-N -1 0 343.427 3.174 20 30 EGEDRM C[C@@]1(C#N)CCCN([C@@H](C(=O)[O-])c2ccccc2Br)C1 ZINC001593742545 996360740 /nfs/dbraw/zinc/36/07/40/996360740.db2.gz AUPPUQJVPFOLDP-HIFRSBDPSA-N -1 0 337.217 3.200 20 30 EGEDRM CC1(C)CCc2sc(NC(=O)c3cc(C(=O)[O-])co3)c(C#N)c21 ZINC001593924491 996850174 /nfs/dbraw/zinc/85/01/74/996850174.db2.gz LQDRYLWEQSVDOW-UHFFFAOYSA-N -1 0 330.365 3.387 20 30 EGEDRM CON(Cc1ccccc1Cl)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001599318795 997544674 /nfs/dbraw/zinc/54/46/74/997544674.db2.gz RLTYMPVQLSUQTB-MRXNPFEDSA-N -1 0 330.771 3.401 20 30 EGEDRM CON(Cc1ccccc1Cl)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001599318793 997545170 /nfs/dbraw/zinc/54/51/70/997545170.db2.gz RLTYMPVQLSUQTB-INIZCTEOSA-N -1 0 330.771 3.401 20 30 EGEDRM COc1ccc(/C=C\C(=O)c2cc(C(=O)[O-])co2)cc1OC1CC1 ZINC001599544768 997904750 /nfs/dbraw/zinc/90/47/50/997904750.db2.gz XLVRCBXCYNQXTM-KXFIGUGUSA-N -1 0 328.320 3.424 20 30 EGEDRM COc1cc(C#N)ccc1C(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC001599348789 998057814 /nfs/dbraw/zinc/05/78/14/998057814.db2.gz BHQBFCPECBWFST-UHFFFAOYSA-N -1 0 330.365 3.196 20 30 EGEDRM COc1cc(C#N)cc(Cl)c1OC(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC001599349453 998067307 /nfs/dbraw/zinc/06/73/07/998067307.db2.gz TXPKVIFBBALMQI-HYXAFXHYSA-N -1 0 347.710 3.130 20 30 EGEDRM COc1cc(Oc2ccc(C(=O)[O-])nc2C#N)ccc1Br ZINC001599456529 998198183 /nfs/dbraw/zinc/19/81/83/998198183.db2.gz SDWXTOZSUOCJGH-UHFFFAOYSA-N -1 0 349.140 3.215 20 30 EGEDRM COC(=O)c1cccc(OCCCCC2(C#N)CCC2)c1C(=O)[O-] ZINC001598998342 998801199 /nfs/dbraw/zinc/80/11/99/998801199.db2.gz ADAIUGZQSLKMLT-UHFFFAOYSA-N -1 0 331.368 3.414 20 30 EGEDRM COC(=O)c1cccc(NN=Cc2c[nH]c3ccc(C(=O)[O-])cc23)c1 ZINC001598999900 998814611 /nfs/dbraw/zinc/81/46/11/998814611.db2.gz UWEASLXUZSIFRA-UHFFFAOYSA-N -1 0 337.335 3.099 20 30 EGEDRM Cc1nc([N-]S(=O)(=O)c2ccc(F)cc2)sc1SCC#N ZINC000066253615 215027960 /nfs/dbraw/zinc/02/79/60/215027960.db2.gz ARWXZSFHLDAYKF-UHFFFAOYSA-N -1 0 343.430 3.007 20 30 EGEDRM CC(C)c1ccc(S([O-])=CC(=O)NCc2ccc(C#N)cc2)cc1 ZINC000264593179 141057399 /nfs/dbraw/zinc/05/73/99/141057399.db2.gz YDKGPIVGJQCLOR-XMMPIXPASA-N -1 0 340.448 3.106 20 30 EGEDRM N#Cc1cc([N-]S(=O)(=O)c2cc(F)ccc2Cl)ccc1F ZINC000103059788 162051534 /nfs/dbraw/zinc/05/15/34/162051534.db2.gz TTWLAZYNIGBIAX-UHFFFAOYSA-N -1 0 328.727 3.291 20 30 EGEDRM N#Cc1cc(Cl)ccc1S(=O)(=O)NCC1CCC(F)(F)CC1 ZINC000337059205 163117850 /nfs/dbraw/zinc/11/78/50/163117850.db2.gz SKDVWGSNSQCDJC-UHFFFAOYSA-N -1 0 348.802 3.315 20 30 EGEDRM Cc1nc(-c2ccccc2)sc1C(=O)N=c1[nH][n-]c(C2CC2)c1C#N ZINC000359718846 167212829 /nfs/dbraw/zinc/21/28/29/167212829.db2.gz RJOMGCFNSCSADS-UHFFFAOYSA-N -1 0 349.419 3.265 20 30 EGEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1ccccc1NCc1ccco1 ZINC000359720313 167213777 /nfs/dbraw/zinc/21/37/77/167213777.db2.gz BMJWWKFCPLPAOM-UHFFFAOYSA-N -1 0 347.378 3.038 20 30 EGEDRM N#Cc1cccnc1Oc1ccccc1[N-]S(=O)(=O)c1ccco1 ZINC000437683305 270051452 /nfs/dbraw/zinc/05/14/52/270051452.db2.gz AUSXYAXMQDHPGH-UHFFFAOYSA-N -1 0 341.348 3.139 20 30 EGEDRM CCCN(C(=O)c1ccc(C#N)c(O)c1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000442975268 270051989 /nfs/dbraw/zinc/05/19/89/270051989.db2.gz JSLZWBDDBYVHKY-IAGOWNOFSA-N -1 0 330.428 3.320 20 30 EGEDRM CCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(F)cc2n[nH]nc21 ZINC000433226929 267016386 /nfs/dbraw/zinc/01/63/86/267016386.db2.gz PGTUYBCTNZMALS-UHFFFAOYSA-N -1 0 337.358 3.021 20 30 EGEDRM Cc1cc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)nn1C(C)C ZINC000421188528 268011960 /nfs/dbraw/zinc/01/19/60/268011960.db2.gz YDJHOJXOLOVJCF-UHFFFAOYSA-N -1 0 338.820 3.098 20 30 EGEDRM N#Cc1ccc(CN(C(=O)c2cc(F)c([O-])c(F)c2)C2CC2)cc1 ZINC000186568297 268062790 /nfs/dbraw/zinc/06/27/90/268062790.db2.gz YSCSXDUPFXVYEC-UHFFFAOYSA-N -1 0 328.318 3.347 20 30 EGEDRM Cn1cc(CN=c2[n-]nc([C@H]3CCCc4ccccc43)s2)cc1C#N ZINC000432429664 268126523 /nfs/dbraw/zinc/12/65/23/268126523.db2.gz QBKJMHAEWCTHIS-KRWDZBQOSA-N -1 0 349.463 3.250 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2ccc(Oc3cccnc3)nc2)cc1[O-] ZINC000442667998 268206464 /nfs/dbraw/zinc/20/64/64/268206464.db2.gz ASPCIRHLXMQHRC-UHFFFAOYSA-N -1 0 332.319 3.098 20 30 EGEDRM N#Cc1ccc(CN=c2[n-]nc(-c3cccc(OC(F)F)c3)o2)cc1 ZINC000461220709 268225450 /nfs/dbraw/zinc/22/54/50/268225450.db2.gz PRTYEGKLKSBCEM-UHFFFAOYSA-N -1 0 342.305 3.244 20 30 EGEDRM CC(C)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)cc1 ZINC000120534334 307507688 /nfs/dbraw/zinc/50/76/88/307507688.db2.gz YRMDUHHPTYDXIL-UHFFFAOYSA-N -1 0 345.380 3.391 20 30 EGEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1ccc(CC(F)(F)F)cc1 ZINC000157853918 307851186 /nfs/dbraw/zinc/85/11/86/307851186.db2.gz IGAUUTPZEMSSIZ-UHFFFAOYSA-N -1 0 340.326 3.464 20 30 EGEDRM N#Cc1cc(-c2cc(F)ccc2OC[C@@H]2CCOC2)ccc1C(=O)[O-] ZINC000566495178 316487052 /nfs/dbraw/zinc/48/70/52/316487052.db2.gz UUPHKIDHHDXJHI-GFCCVEGCSA-N -1 0 341.338 3.478 20 30 EGEDRM C[C@@H]1C[C@H](C(=O)[O-])CN(c2c(C#N)cnc3c(Cl)cccc32)C1 ZINC000571799476 317249526 /nfs/dbraw/zinc/24/95/26/317249526.db2.gz GUXQGTVCCVWWKV-MNOVXSKESA-N -1 0 329.787 3.307 20 30 EGEDRM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C#N)cc1 ZINC000181146852 323471183 /nfs/dbraw/zinc/47/11/83/323471183.db2.gz YKKSAPKZJKJYFS-UHFFFAOYSA-N -1 0 343.408 3.016 20 30 EGEDRM C[C@H]1CCC[C@@](C#N)([N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)C1 ZINC000450993715 458462412 /nfs/dbraw/zinc/46/24/12/458462412.db2.gz WOMWSGLSINAINL-LKFCYVNXSA-N -1 0 348.802 3.369 20 30 EGEDRM C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccnc(C(=O)[O-])c1 ZINC000237976338 455240504 /nfs/dbraw/zinc/24/05/04/455240504.db2.gz FYERRAVPPXWJDI-UHFFFAOYSA-N -1 0 336.800 3.323 20 30 EGEDRM CC(C)OCc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2F)cc1 ZINC000158089257 455268828 /nfs/dbraw/zinc/26/88/28/455268828.db2.gz CRNITGQALJEWRB-UHFFFAOYSA-N -1 0 348.399 3.423 20 30 EGEDRM C=C[C@@H]1OCC[C@H]1NC(=O)[C@@](C)(CC(=O)[O-])c1ccc(C(C)C)cc1 ZINC000634840806 460551925 /nfs/dbraw/zinc/55/19/25/460551925.db2.gz VSCQBGVWXJDFKC-UWVAXJGDSA-N -1 0 345.439 3.002 20 30 EGEDRM CC[C@H](CC#N)NC(=O)c1cc(Cl)cc(Br)c1[O-] ZINC000184162823 455358304 /nfs/dbraw/zinc/35/83/04/455358304.db2.gz SNEMYDABECWBDD-MRVPVSSYSA-N -1 0 331.597 3.230 20 30 EGEDRM C[C@@H]1CN(c2c(C#N)cnc3c(F)ccc(Cl)c32)CC[C@@H]1C(=O)[O-] ZINC000600800924 460609507 /nfs/dbraw/zinc/60/95/07/460609507.db2.gz NUSZUUVKUKVFGL-KOLCDFICSA-N -1 0 347.777 3.446 20 30 EGEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1ccc(OC(F)(F)F)cc1 ZINC000016127604 453595977 /nfs/dbraw/zinc/59/59/77/453595977.db2.gz WJZCYKAQWNFSLB-UHFFFAOYSA-N -1 0 342.298 3.258 20 30 EGEDRM CCC(CC)c1nnc([N-]S(=O)(=O)c2ccc(C#N)cc2)s1 ZINC000083955954 453962962 /nfs/dbraw/zinc/96/29/62/453962962.db2.gz UEKBVWOBSUOKRN-UHFFFAOYSA-N -1 0 336.442 3.114 20 30 EGEDRM N#Cc1cc([N-]S(=O)(=O)c2cnc3ccsc3c2)ccc1F ZINC000084460879 453990207 /nfs/dbraw/zinc/99/02/07/453990207.db2.gz JKHGKYZRWLRHJT-UHFFFAOYSA-N -1 0 333.369 3.108 20 30 EGEDRM Cc1cc2cccnc2c(S(=O)(=O)[N-]c2ccc(CC#N)cc2)c1 ZINC000077704666 454145237 /nfs/dbraw/zinc/14/52/37/454145237.db2.gz UIEQZRCLYJKJOB-UHFFFAOYSA-N -1 0 337.404 3.410 20 30 EGEDRM O=C(C=Cc1ccco1)[N-]S(=O)(=O)c1cccc2cnccc21 ZINC000096405216 454323349 /nfs/dbraw/zinc/32/33/49/454323349.db2.gz XAEYKSSWMIKWNI-SREVYHEPSA-N -1 0 328.349 3.186 20 30 EGEDRM CCCCCOc1ccc(S(=O)(=O)[N-]c2ncccc2C#N)cc1 ZINC000191103611 455443289 /nfs/dbraw/zinc/44/32/89/455443289.db2.gz LOJBONDNZJJAKK-UHFFFAOYSA-N -1 0 345.424 3.323 20 30 EGEDRM Cn1cc(CC(=O)[N-]S(=O)(=O)c2ccc(F)cc2)c2ccccc21 ZINC000062674110 454384705 /nfs/dbraw/zinc/38/47/05/454384705.db2.gz DYTQHSWERIYXNS-UHFFFAOYSA-N -1 0 346.383 3.205 20 30 EGEDRM C=CCN1C(=O)c2ccccc2N[C@@H]1c1ccc([N+](=O)[O-])c([O-])c1 ZINC000133715061 454459124 /nfs/dbraw/zinc/45/91/24/454459124.db2.gz GONYIIYBBNTOGQ-INIZCTEOSA-N -1 0 325.324 3.053 20 30 EGEDRM O=C(Cc1ccc(-n2cccc2)cc1)[N-]S(=O)(=O)c1ccccc1 ZINC000048406599 454486970 /nfs/dbraw/zinc/48/69/70/454486970.db2.gz CBNPRMUEBDVPAW-UHFFFAOYSA-N -1 0 340.404 3.365 20 30 EGEDRM COC[C@H](C)S(=O)(=O)[N-]C(=O)C=Cc1cccc2ccccc12 ZINC000073839468 454489429 /nfs/dbraw/zinc/48/94/29/454489429.db2.gz BDPPBORSUDQLPA-NHAQELONSA-N -1 0 333.409 3.174 20 30 EGEDRM Cc1noc(C(C)C)c1C(=O)[N-]S(=O)(=O)c1ccc(C)cc1C ZINC000048475514 454492393 /nfs/dbraw/zinc/49/23/93/454492393.db2.gz ALOJXEQMKMFDJQ-UHFFFAOYSA-N -1 0 336.413 3.417 20 30 EGEDRM O=C([N-]S(=O)(=O)c1cccnc1)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000048532891 454496249 /nfs/dbraw/zinc/49/62/49/454496249.db2.gz DABCLOCRHBERGP-VHSXEESVSA-N -1 0 336.335 3.096 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)N(Cc2cccs2)C2CC2)cc1C#N ZINC000073917485 454501809 /nfs/dbraw/zinc/50/18/09/454501809.db2.gz TUJSOWNSMXLPCE-UHFFFAOYSA-N -1 0 345.449 3.247 20 30 EGEDRM Cn1c2ccccc2nc1C(C#N)=C([O-])c1ccc(Br)o1 ZINC000122634412 454554918 /nfs/dbraw/zinc/55/49/18/454554918.db2.gz XKSSMNYEHVABDB-SECBINFHSA-N -1 0 344.168 3.419 20 30 EGEDRM COc1cc(C)c(S(=O)(=O)[N-]c2ccccc2C#N)cc1Cl ZINC000074935187 454662540 /nfs/dbraw/zinc/66/25/40/454662540.db2.gz OMBRHEYSLATISB-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)c2cccc(F)c2F)cc1Cl ZINC000152761992 454722148 /nfs/dbraw/zinc/72/21/48/454722148.db2.gz MCABEVNHYOLLKA-UHFFFAOYSA-N -1 0 328.727 3.291 20 30 EGEDRM CCCCC[C@H](C)NC(=O)Cn1[n-]c(C(C)(C)C)c(CCC#N)c1=O ZINC000153455368 454795510 /nfs/dbraw/zinc/79/55/10/454795510.db2.gz BOOUSUNDBNPGPF-AWEZNQCLSA-N -1 0 348.491 3.427 20 30 EGEDRM N#C[C@@H](NS(=O)(=O)c1cc(F)ccc1Cl)C1CCCCC1 ZINC000125580221 454833109 /nfs/dbraw/zinc/83/31/09/454833109.db2.gz NLAGCRWWGYQEMF-CYBMUJFWSA-N -1 0 330.812 3.230 20 30 EGEDRM N#Cc1nc(NC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2Cl)[n-]c1C#N ZINC000111561912 454869494 /nfs/dbraw/zinc/86/94/94/454869494.db2.gz NUWQOGKNUWTQSZ-DTWKUNHWSA-N -1 0 346.177 3.202 20 30 EGEDRM CCOc1cccc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC000177996403 454925582 /nfs/dbraw/zinc/92/55/82/454925582.db2.gz DUDIMGJLNZKNEC-UHFFFAOYSA-N -1 0 336.800 3.411 20 30 EGEDRM CN(C)C(=O)Nc1cccc(C([O-])=C(C#N)c2nc3ccccc3o2)c1 ZINC000172545691 455161337 /nfs/dbraw/zinc/16/13/37/455161337.db2.gz KPLGGHJYIXMKHP-CQSZACIVSA-N -1 0 348.362 3.411 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2OC(F)F)cc1 ZINC000172907194 455207759 /nfs/dbraw/zinc/20/77/59/455207759.db2.gz VAWWQOOFDONFTD-UHFFFAOYSA-N -1 0 342.298 3.100 20 30 EGEDRM CC[C@@H](CC#N)NC(=O)c1nn(-c2cccc(C(C)C)c2)cc1[O-] ZINC000184161139 455357116 /nfs/dbraw/zinc/35/71/16/455357116.db2.gz NQQDNGNIXOHZJE-AWEZNQCLSA-N -1 0 326.400 3.123 20 30 EGEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc2ccn(C)c21 ZINC000190854786 455392016 /nfs/dbraw/zinc/39/20/16/455392016.db2.gz RDXRIHVKFPPLRO-UHFFFAOYSA-N -1 0 325.393 3.159 20 30 EGEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(C(C)C)c1 ZINC000184781598 455447139 /nfs/dbraw/zinc/44/71/39/455447139.db2.gz GRGDECIEBBHXIO-UHFFFAOYSA-N -1 0 330.409 3.491 20 30 EGEDRM CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(C#N)cc1OC ZINC000184859347 455462079 /nfs/dbraw/zinc/46/20/79/455462079.db2.gz GXYNBWWYOHSCRH-UHFFFAOYSA-N -1 0 344.436 3.492 20 30 EGEDRM CC(C)n1cc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)cn1 ZINC000191508029 455491794 /nfs/dbraw/zinc/49/17/94/455491794.db2.gz JTOWKAOZYUAPJS-AWEZNQCLSA-N -1 0 337.408 3.473 20 30 EGEDRM N#CCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1ccccc1 ZINC000185444912 455559455 /nfs/dbraw/zinc/55/94/55/455559455.db2.gz ZTHWITGEJYUEAK-HNNXBMFYSA-N -1 0 325.324 3.075 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)c2c(F)cccc2F)cc1Cl ZINC000192704727 455673694 /nfs/dbraw/zinc/67/36/94/455673694.db2.gz HLQUBNYTEKFUIF-UHFFFAOYSA-N -1 0 328.727 3.291 20 30 EGEDRM C=C(C)C[C@@H](C)C(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)[O-] ZINC000192902381 455714808 /nfs/dbraw/zinc/71/48/08/455714808.db2.gz RUFPWQUDAWBOPH-BDJLRTHQSA-N -1 0 332.375 3.021 20 30 EGEDRM C[C@@H]1C[C@H]1c1n[n-]c(=NCc2cn(CCC#N)nc2-c2ccccc2)o1 ZINC000601063757 460695990 /nfs/dbraw/zinc/69/59/90/460695990.db2.gz JBGWCJRFKOZXMY-CZUORRHYSA-N -1 0 348.410 3.004 20 30 EGEDRM N#CCCCOc1cccc(CN=c2[n-]nc([C@H]3CCCO3)s2)c1 ZINC000601068608 460698300 /nfs/dbraw/zinc/69/83/00/460698300.db2.gz NPCBCEAOIFMUEF-OAHLLOKOSA-N -1 0 344.440 3.106 20 30 EGEDRM N#CC(=C([O-])c1ccc(N2CCCC2)nc1)c1nc2ccccc2o1 ZINC000187238998 455885720 /nfs/dbraw/zinc/88/57/20/455885720.db2.gz LLSRJXGXWOPEFB-AWEZNQCLSA-N -1 0 332.363 3.313 20 30 EGEDRM CC(C)CCOc1cccc([N-]S(=O)(=O)c2ccc(C#N)nc2)c1 ZINC000195446207 455962837 /nfs/dbraw/zinc/96/28/37/455962837.db2.gz UUYOSFYMGPONAY-UHFFFAOYSA-N -1 0 345.424 3.179 20 30 EGEDRM Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H](C(C)(C)C)C1 ZINC000280475864 455978671 /nfs/dbraw/zinc/97/86/71/455978671.db2.gz JLOAGLJOJQNHPD-OAHLLOKOSA-N -1 0 343.471 3.493 20 30 EGEDRM COCCOc1c(Cl)cccc1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000188387689 456054271 /nfs/dbraw/zinc/05/42/71/456054271.db2.gz UOKIHVBZONFQIJ-UHFFFAOYSA-N -1 0 346.770 3.195 20 30 EGEDRM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cc(C)n(CCC#N)n2)cc1 ZINC000270991419 456088911 /nfs/dbraw/zinc/08/89/11/456088911.db2.gz AGKGIYDNZLKDBZ-CYBMUJFWSA-N -1 0 346.456 3.420 20 30 EGEDRM C=C(C)CN(Cc1ccc(CO)o1)Cc1nc(=O)c2sccc2[n-]1 ZINC000352802295 456322125 /nfs/dbraw/zinc/32/21/25/456322125.db2.gz VHRAUUUPJHYPOA-UHFFFAOYSA-N -1 0 345.424 3.061 20 30 EGEDRM CC(C)(C)n1cc(C#N)c(NC(=O)c2ncsc2C(F)(F)F)n1 ZINC000282870234 456651010 /nfs/dbraw/zinc/65/10/10/456651010.db2.gz QCDZBFMNGUYOHJ-UHFFFAOYSA-N -1 0 343.334 3.237 20 30 EGEDRM COCc1ncc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)s1 ZINC000353425507 456691804 /nfs/dbraw/zinc/69/18/04/456691804.db2.gz XLMBZLKTDIFPJA-VIFPVBQESA-N -1 0 341.314 3.193 20 30 EGEDRM COc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)c(Cl)c1 ZINC000340841424 456712215 /nfs/dbraw/zinc/71/22/15/456712215.db2.gz GIPWDEPGILIGMF-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM CC(C)c1nn(C)c(Cl)c1C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000328591364 456716169 /nfs/dbraw/zinc/71/61/69/456716169.db2.gz QUPQGVXXQXLHNY-UHFFFAOYSA-N -1 0 327.812 3.145 20 30 EGEDRM C=CCN(Cc1cccs1)C(=O)N=c1nc2cc(Cl)ccn2[n-]1 ZINC000353523691 456735404 /nfs/dbraw/zinc/73/54/04/456735404.db2.gz QHNMTQCUORPZRC-UHFFFAOYSA-N -1 0 347.831 3.086 20 30 EGEDRM CC(C)(C(=O)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1)C1CCOCC1 ZINC000329080652 456830636 /nfs/dbraw/zinc/83/06/36/456830636.db2.gz CSTJKNQDQMBHPE-UHFFFAOYSA-N -1 0 330.388 3.218 20 30 EGEDRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccc(F)cc2C#N)c1 ZINC000353779435 456903582 /nfs/dbraw/zinc/90/35/82/456903582.db2.gz JHFRKDBKCYFWIX-UHFFFAOYSA-N -1 0 341.367 3.355 20 30 EGEDRM N#CCC[C@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000356806593 457176173 /nfs/dbraw/zinc/17/61/73/457176173.db2.gz TZRCZMSTFLIHEV-INIZCTEOSA-N -1 0 325.324 3.075 20 30 EGEDRM C=CCn1c(-c2ccc(C)s2)n[n-]c1=Nc1c(C)nn(C)c1C ZINC000351070883 457217460 /nfs/dbraw/zinc/21/74/60/457217460.db2.gz BSMWMBBCQPJYOH-UHFFFAOYSA-N -1 0 328.445 3.017 20 30 EGEDRM C=C(C)[C@H](CC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])OCC ZINC000351761473 457317353 /nfs/dbraw/zinc/31/73/53/457317353.db2.gz CIRCSMPGHPXUIB-LBPRGKRZSA-N -1 0 328.752 3.264 20 30 EGEDRM CSCc1ccc(NS(=O)(=O)c2ccccc2CC#N)cc1 ZINC000355869228 457425575 /nfs/dbraw/zinc/42/55/75/457425575.db2.gz PWKINSZMUBLBIS-UHFFFAOYSA-N -1 0 332.450 3.416 20 30 EGEDRM COc1ccc(NS(=O)(=O)c2ccccc2CC#N)cc1Cl ZINC000355869261 457426220 /nfs/dbraw/zinc/42/62/20/457426220.db2.gz QAGITGMWTNCWRJ-UHFFFAOYSA-N -1 0 336.800 3.215 20 30 EGEDRM C=CCOc1cccc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000352625118 457496616 /nfs/dbraw/zinc/49/66/16/457496616.db2.gz DMBKXSRVPROPBP-UHFFFAOYSA-N -1 0 342.307 3.110 20 30 EGEDRM Cc1cc([N-]S(=O)(=O)c2cccc(F)c2C)c(C#N)cc1N(C)C ZINC000357453646 457537846 /nfs/dbraw/zinc/53/78/46/457537846.db2.gz KGFIXRVNAZYMNF-UHFFFAOYSA-N -1 0 347.415 3.181 20 30 EGEDRM C=CCCc1ccccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000443416566 457761339 /nfs/dbraw/zinc/76/13/39/457761339.db2.gz IVOBNLWVENFAET-UHFFFAOYSA-N -1 0 331.393 3.304 20 30 EGEDRM Cc1nn(C)c2nc(C([O-])=C(C#N)c3nccc4ccccc43)ccc12 ZINC000361528553 457773514 /nfs/dbraw/zinc/77/35/14/457773514.db2.gz AIAVRRRYVJSSDF-MRXNPFEDSA-N -1 0 341.374 3.315 20 30 EGEDRM C=CCOc1cccnc1C([O-])=C(C#N)c1cnc2ccccc2n1 ZINC000361541355 457782718 /nfs/dbraw/zinc/78/27/18/457782718.db2.gz OLKDEGFLMHQIOO-CYBMUJFWSA-N -1 0 330.347 3.080 20 30 EGEDRM N#C[C@H](CCc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000433380702 457826346 /nfs/dbraw/zinc/82/63/46/457826346.db2.gz DVHSEUGYDUHGMH-ZDUSSCGKSA-N -1 0 325.324 3.011 20 30 EGEDRM N#Cc1cccc(C(=O)Nc2n[nH]c(-c3cc4ccccc4o3)n2)c1 ZINC000362246257 458051450 /nfs/dbraw/zinc/05/14/50/458051450.db2.gz YHAKCIQMSAVOLM-UHFFFAOYSA-N -1 0 329.319 3.342 20 30 EGEDRM Cc1c([N-]S(=O)(=O)c2ccc(C#N)s2)cnn1C1CCCC1 ZINC000435507090 458157007 /nfs/dbraw/zinc/15/70/07/458157007.db2.gz YKTVVHNKVNPTQB-UHFFFAOYSA-N -1 0 336.442 3.041 20 30 EGEDRM CC(C)(C#N)CCCCSc1n[n-]c(=NC[C@@H]2CCCO2)s1 ZINC000436210177 458269776 /nfs/dbraw/zinc/26/97/76/458269776.db2.gz ZBNXAXJUPWJFFV-LBPRGKRZSA-N -1 0 340.518 3.363 20 30 EGEDRM N#CCCCOc1cccnc1[N-]S(=O)(=O)CCC1CCCC1 ZINC000450965444 458461419 /nfs/dbraw/zinc/46/14/19/458461419.db2.gz DHBYVVOXALITFW-UHFFFAOYSA-N -1 0 337.445 3.086 20 30 EGEDRM C=CCn1c([C@H]2CCCO2)n[n-]c1=Nc1ccc(CC)c(OC)c1 ZINC000453412465 458526407 /nfs/dbraw/zinc/52/64/07/458526407.db2.gz HSZXBJRMZOQIRL-OAHLLOKOSA-N -1 0 328.416 3.052 20 30 EGEDRM C=C(C)Cn1c(-c2sccc2C)n[n-]c1=Nc1c(C)n[nH]c1C ZINC000460953495 458542364 /nfs/dbraw/zinc/54/23/64/458542364.db2.gz TUMQPFMRYCIDFC-UHFFFAOYSA-N -1 0 328.445 3.397 20 30 EGEDRM C=CCOc1cc(OC)ccc1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000431654314 458601939 /nfs/dbraw/zinc/60/19/39/458601939.db2.gz PTAJVMHUNGPDHX-UHFFFAOYSA-N -1 0 327.336 3.211 20 30 EGEDRM CC(C)(C)Oc1ccc(NC(=O)NCCC(C)(C)C(=O)[O-])cc1C#N ZINC000424391887 458632128 /nfs/dbraw/zinc/63/21/28/458632128.db2.gz RNEGLWHYKHNANA-UHFFFAOYSA-N -1 0 347.415 3.358 20 30 EGEDRM C=CCC1(NC(=O)c2cc(=O)n(-c3ccc(C)cc3)[n-]2)CCCCC1 ZINC000456374446 458653378 /nfs/dbraw/zinc/65/33/78/458653378.db2.gz XBUOYLMLQDJNAD-UHFFFAOYSA-N -1 0 339.439 3.483 20 30 EGEDRM CCCc1ccc(NS(=O)(=O)CCC(C)(C)C#N)c(C(=O)[O-])c1 ZINC000515657436 458811843 /nfs/dbraw/zinc/81/18/43/458811843.db2.gz VTGWYSGYQNMXOL-UHFFFAOYSA-N -1 0 338.429 3.019 20 30 EGEDRM N#CCCC1CCN(C(=O)N=c2nc(-c3ccccc3)[n-]s2)CC1 ZINC000515840687 458813281 /nfs/dbraw/zinc/81/32/81/458813281.db2.gz WRBLKUPCFCMJBO-UHFFFAOYSA-N -1 0 341.440 3.175 20 30 EGEDRM Cc1cc(NC(=O)c2cccc(C(F)(F)F)c2[O-])n(CCC#N)n1 ZINC000519609116 458974288 /nfs/dbraw/zinc/97/42/88/458974288.db2.gz MAZRTHDBZOWKAE-UHFFFAOYSA-N -1 0 338.289 3.082 20 30 EGEDRM C=CCC[C@H](NC(=O)Nc1ccc2cnn(C(C)C)c2c1)C(=O)[O-] ZINC000556709877 458993795 /nfs/dbraw/zinc/99/37/95/458993795.db2.gz WRJJBBRUTQHORS-AWEZNQCLSA-N -1 0 330.388 3.158 20 30 EGEDRM N#Cc1ccccc1[N-]S(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000519800837 459007113 /nfs/dbraw/zinc/00/71/13/459007113.db2.gz HKFGFQCCTPMLAN-UHFFFAOYSA-N -1 0 342.298 3.100 20 30 EGEDRM C=CCOc1cccc(NC(=O)N[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000577407229 459028725 /nfs/dbraw/zinc/02/87/25/459028725.db2.gz ZKTWJWSHTHQAPY-INIZCTEOSA-N -1 0 326.352 3.199 20 30 EGEDRM COc1cc([N-]S(=O)(=O)c2cccc(C)c2C#N)c(C)cc1C ZINC000478684375 459103183 /nfs/dbraw/zinc/10/31/83/459103183.db2.gz KKDRUGALQMJEOF-UHFFFAOYSA-N -1 0 330.409 3.293 20 30 EGEDRM Cn1cc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)c(C(F)F)n1 ZINC000533176959 459197751 /nfs/dbraw/zinc/19/77/51/459197751.db2.gz JVKYIVZCAAHHED-QMMMGPOBSA-N -1 0 344.243 3.262 20 30 EGEDRM CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(CN=Nc2ccc(C(=O)[O-])cc2)C1 ZINC000496560180 459239302 /nfs/dbraw/zinc/23/93/02/459239302.db2.gz WOQVPHUVODXKCU-UGSOOPFHSA-N -1 0 345.399 3.040 20 30 EGEDRM CC(C)c1csc(C(C#N)=C([O-])c2sccc2-n2ccnn2)n1 ZINC000578971322 459241824 /nfs/dbraw/zinc/24/18/24/459241824.db2.gz APMKMENZIVTYMO-JTQLQIEISA-N -1 0 343.437 3.399 20 30 EGEDRM C=CCN(Cc1ccccc1)C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000522623975 459251739 /nfs/dbraw/zinc/25/17/39/459251739.db2.gz SPRFIKMBLZMRSF-UHFFFAOYSA-N -1 0 330.457 3.478 20 30 EGEDRM Cn1nc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)c2c1CCCC2 ZINC000568476795 459292855 /nfs/dbraw/zinc/29/28/55/459292855.db2.gz BMBJAYXYYMHJPR-GFCCVEGCSA-N -1 0 348.328 3.203 20 30 EGEDRM C[C@](NC(=O)c1ccc(C#Cc2ccccc2)cc1)(C(=O)[O-])C1CC1 ZINC000540705014 459384088 /nfs/dbraw/zinc/38/40/88/459384088.db2.gz WCGZTPUDMFLVNM-OAQYLSRUSA-N -1 0 333.387 3.070 20 30 EGEDRM C=CCc1cc(CN=c2[n-]nc(CCCC)s2)cc(OC)c1O ZINC000540806966 459388989 /nfs/dbraw/zinc/38/89/89/459388989.db2.gz HOEGWQVZKQTMFK-UHFFFAOYSA-N -1 0 333.457 3.357 20 30 EGEDRM N#CC1(CC(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)CCCCC1 ZINC000595987729 459492500 /nfs/dbraw/zinc/49/25/00/459492500.db2.gz BTSWHZRRJIBIOY-OAHLLOKOSA-N -1 0 326.396 3.456 20 30 EGEDRM CCOC(=O)c1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)nc1 ZINC000592402004 459594559 /nfs/dbraw/zinc/59/45/59/459594559.db2.gz KVDOPSVDLBJTHZ-GFCCVEGCSA-N -1 0 341.392 3.082 20 30 EGEDRM C#C[C@H]([N-]S(=O)(=O)[C@@H](C)C(F)(F)F)c1ccc(Cl)cc1F ZINC000491787371 459674345 /nfs/dbraw/zinc/67/43/45/459674345.db2.gz VKIGALAPRHQUHS-CPCISQLKSA-N -1 0 343.729 3.024 20 30 EGEDRM Cc1cc(C#N)cc(NC(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1 ZINC000593958387 460027332 /nfs/dbraw/zinc/02/73/32/460027332.db2.gz VHEOVBKZKOAIDC-TUKIKUTGSA-N -1 0 329.400 3.124 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)Nc2ncsc2C(C)C)cc1C#N ZINC000594359916 460195171 /nfs/dbraw/zinc/19/51/71/460195171.db2.gz RMQOMVYAZBEYIX-UHFFFAOYSA-N -1 0 334.426 3.213 20 30 EGEDRM N#CCn1c(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc2ccccc21 ZINC000611294679 460331076 /nfs/dbraw/zinc/33/10/76/460331076.db2.gz SBQBVPTVXMKFJF-UHFFFAOYSA-N -1 0 336.307 3.031 20 30 EGEDRM CCOC(=O)c1[nH]c(C)c(C([O-])=C(C#N)c2nc(C)cs2)c1C ZINC000603835282 460344696 /nfs/dbraw/zinc/34/46/96/460344696.db2.gz LHSPLIDWCVPUBQ-LLVKDONJSA-N -1 0 331.397 3.063 20 30 EGEDRM N#CCc1cccc(S(=O)(=O)[N-]c2cnoc2-c2ccccc2)c1 ZINC000619463717 460363140 /nfs/dbraw/zinc/36/31/40/460363140.db2.gz RRXOKUZMNIWFHQ-UHFFFAOYSA-N -1 0 339.376 3.208 20 30 EGEDRM CCCc1cc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)n[nH]1 ZINC000604005485 460368506 /nfs/dbraw/zinc/36/85/06/460368506.db2.gz YMFWMBSEOBRNBK-CYBMUJFWSA-N -1 0 337.408 3.371 20 30 EGEDRM COc1ccc(C(C)(C)C)cc1[N-]S(=O)(=O)c1ccc(C#N)nc1 ZINC000604571097 460450468 /nfs/dbraw/zinc/45/04/68/460450468.db2.gz PGOSWCZUFAVUKN-UHFFFAOYSA-N -1 0 345.424 3.060 20 30 EGEDRM C[C@@H](S[C@H](C)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)C(=O)[O-] ZINC000601986322 460972430 /nfs/dbraw/zinc/97/24/30/460972430.db2.gz UAZZAKGINKRZHI-HTQZYQBOSA-N -1 0 346.330 3.110 20 30 EGEDRM N#CCc1ccc(NC(=O)C[C@]2(C(=O)[O-])CCCc3ccccc32)cc1 ZINC000601986527 460972938 /nfs/dbraw/zinc/97/29/38/460972938.db2.gz PMIDPUCSVMMZOW-OAQYLSRUSA-N -1 0 348.402 3.440 20 30 EGEDRM C=C(C)C[C@H](NC(=O)[C@@H](CC)Oc1ccccc1Cl)C(=O)[O-] ZINC000630319702 461093803 /nfs/dbraw/zinc/09/38/03/461093803.db2.gz GCZUNFYOSASRHM-QWHCGFSZSA-N -1 0 325.792 3.033 20 30 EGEDRM C=CCC[C@@H](NC(=O)N[C@@H]1CCSc2ccc(F)cc21)C(=O)[O-] ZINC000654793830 462385092 /nfs/dbraw/zinc/38/50/92/462385092.db2.gz MUMCZQROJXCLQC-CHWSQXEVSA-N -1 0 338.404 3.081 20 30 EGEDRM N#Cc1cccnc1[N-]S(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000527197423 518196762 /nfs/dbraw/zinc/19/67/62/518196762.db2.gz BOEXBKLVMHSDAD-UHFFFAOYSA-N -1 0 347.399 3.325 20 30 EGEDRM C=CCC(CC=C)C(=O)N[C@@H](C(=O)[O-])c1ccc(OC)c(Cl)c1 ZINC000263196944 534567900 /nfs/dbraw/zinc/56/79/00/534567900.db2.gz YGVALUHXUJHULW-OAHLLOKOSA-N -1 0 337.803 3.359 20 30 EGEDRM C=CCCC[C@H](C)NS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000398053359 547836088 /nfs/dbraw/zinc/83/60/88/547836088.db2.gz CECBIIMZDAWLMW-JTQLQIEISA-N -1 0 331.821 3.061 20 30 EGEDRM Cc1noc(C(F)F)c1C([O-])=C(C#N)c1cnc2ccccc2n1 ZINC000682995134 550175445 /nfs/dbraw/zinc/17/54/45/550175445.db2.gz OQBYKOCSUJLMIW-VIFPVBQESA-N -1 0 328.278 3.354 20 30 EGEDRM COc1ccc([C@H](CC(=O)[O-])/N=C\c2cc(OC)ccc2O)cc1 ZINC000737950735 574520066 /nfs/dbraw/zinc/52/00/66/574520066.db2.gz SQMOLILHNVRLGV-YLRSXTQRSA-N -1 0 329.352 3.044 20 30 EGEDRM COc1cc(/C=C\C(=O)c2ccc(O)c(C)c2)cc([N+](=O)[O-])c1[O-] ZINC000728230112 574731729 /nfs/dbraw/zinc/73/17/29/574731729.db2.gz AGQYGDKDKYEZOB-HYXAFXHYSA-N -1 0 329.308 3.219 20 30 EGEDRM COc1cccc(/C=N\Cc2ccc(OCCCC(=O)[O-])cc2)c1O ZINC000738097624 574743703 /nfs/dbraw/zinc/74/37/03/574743703.db2.gz VMSGKPNPFWESLS-MOSHPQCFSA-N -1 0 343.379 3.264 20 30 EGEDRM COC(=O)CC[C@@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000729937422 574897542 /nfs/dbraw/zinc/89/75/42/574897542.db2.gz RCWCQEHGAFQEQY-BKAYVGFPSA-N -1 0 342.351 3.414 20 30 EGEDRM COc1cccc(NN=Cc2ccc(OC(F)(F)C(=O)[O-])cc2)c1 ZINC000730728336 575013408 /nfs/dbraw/zinc/01/34/08/575013408.db2.gz RENAMAXOANUUDQ-UHFFFAOYSA-N -1 0 336.294 3.197 20 30 EGEDRM O=c1[nH]c2c(cc1CN=Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])CCC2 ZINC000733081025 575306011 /nfs/dbraw/zinc/30/60/11/575306011.db2.gz KJXSCBWCQYPATP-CNHKJKLMSA-N -1 0 347.758 3.162 20 30 EGEDRM COc1ccc2c(c1)CC/C(=C\c1cccc(OCC(=O)[O-])c1)C2=O ZINC000733207215 575320673 /nfs/dbraw/zinc/32/06/73/575320673.db2.gz WMYCLVVJTJDABW-OQLLNIDSSA-N -1 0 338.359 3.371 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)/C=C/C1CCOCC1 ZINC000736114127 575900274 /nfs/dbraw/zinc/90/02/74/575900274.db2.gz HJLJYSWUUJOQQY-AATRIKPKSA-N -1 0 346.379 3.010 20 30 EGEDRM C=CCOc1ccccc1C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736114260 575900732 /nfs/dbraw/zinc/90/07/32/575900732.db2.gz QVXBAZYOFBRKMS-KRWDZBQOSA-N -1 0 337.331 3.106 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1cc(C(C)C)no1 ZINC000736115236 575900984 /nfs/dbraw/zinc/90/09/84/575900984.db2.gz ZUJXJEJPTMMDAT-UHFFFAOYSA-N -1 0 345.351 3.453 20 30 EGEDRM C=CCn1c(S[C@@H](CCCC)C(=O)[O-])nnc1-c1ccncc1 ZINC000736118169 575901456 /nfs/dbraw/zinc/90/14/56/575901456.db2.gz RDUUVYNMFMYKCD-ZDUSSCGKSA-N -1 0 332.429 3.262 20 30 EGEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(C(=O)[O-])nc1 ZINC000736203970 575914969 /nfs/dbraw/zinc/91/49/69/575914969.db2.gz WZSJCVJXQAYMHD-NSHDSACASA-N -1 0 341.392 3.284 20 30 EGEDRM CC(C)(C)c1nc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)cs1 ZINC000736303901 575930806 /nfs/dbraw/zinc/93/08/06/575930806.db2.gz RKQGOUHEMVKPMZ-ZDUSSCGKSA-N -1 0 344.392 3.295 20 30 EGEDRM C[C@H](CN(C)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1)C(=O)[O-] ZINC000736574234 575986262 /nfs/dbraw/zinc/98/62/62/575986262.db2.gz AGWFHRZEAAVZQF-CYBMUJFWSA-N -1 0 338.363 3.143 20 30 EGEDRM C[C@@H](Cc1ccccc1F)C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736628522 575995701 /nfs/dbraw/zinc/99/57/01/575995701.db2.gz YUTCWPWJZJGHQE-SJCJKPOMSA-N -1 0 341.338 3.245 20 30 EGEDRM COc1cccc(O)c1/C=N\Cc1ccc(OCCCC(=O)[O-])cc1 ZINC000738106068 576289035 /nfs/dbraw/zinc/28/90/35/576289035.db2.gz IXLNNSDOZZJRIR-MOSHPQCFSA-N -1 0 343.379 3.264 20 30 EGEDRM Cc1cc(C(=O)[O-])c2sc(NC(=O)C3(C#N)CCCCC3)nc2n1 ZINC000738342605 576315541 /nfs/dbraw/zinc/31/55/41/576315541.db2.gz MPCNKWGZWCLEPA-UHFFFAOYSA-N -1 0 344.396 3.111 20 30 EGEDRM N#Cc1ccc(Nc2cccc(C(=O)N3CCCC[C@@H]3C(=O)[O-])c2)cc1 ZINC000738430913 576325212 /nfs/dbraw/zinc/32/52/12/576325212.db2.gz LTNVWEJSQLMYJO-GOSISDBHSA-N -1 0 349.390 3.381 20 30 EGEDRM N#C[C@@H](NC(=O)c1ccc(C(=O)[O-])cc1)c1cccc(C(F)(F)F)c1 ZINC000739074485 576376914 /nfs/dbraw/zinc/37/69/14/576376914.db2.gz KGCGIPIPDCXYKE-CQSZACIVSA-N -1 0 348.280 3.398 20 30 EGEDRM N#CCc1cccc(C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)c1 ZINC000739092637 576377600 /nfs/dbraw/zinc/37/76/00/576377600.db2.gz RCKQRXQMULBSDU-UHFFFAOYSA-N -1 0 346.289 3.305 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)CCSc2ccccc2)C(=O)[O-])cc1 ZINC000739107847 576378313 /nfs/dbraw/zinc/37/83/13/576378313.db2.gz CEEQVSJGHJCUOM-KRWDZBQOSA-N -1 0 341.388 3.410 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)CCn2ccc3ccccc32)C(=O)[O-])cc1 ZINC000739107320 576378382 /nfs/dbraw/zinc/37/83/82/576378382.db2.gz ALRSTKISPTZFIW-IBGZPJMESA-N -1 0 348.358 3.272 20 30 EGEDRM N#Cc1ccc([C@H](NCc2coc(-c3cccs3)n2)C(=O)[O-])cc1 ZINC000739107129 576378395 /nfs/dbraw/zinc/37/83/95/576378395.db2.gz PMPJAIGHJRJYKL-HNNXBMFYSA-N -1 0 339.376 3.190 20 30 EGEDRM N#Cc1ccc([C@@H](OC(=O)Cc2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC000739113987 576378554 /nfs/dbraw/zinc/37/85/54/576378554.db2.gz DNGSBUQODJEPMK-MRXNPFEDSA-N -1 0 329.739 3.123 20 30 EGEDRM N#Cc1ccc(CN(C(=O)Nc2cccc(C(=O)[O-])c2)C2CC2)cc1 ZINC000739118659 576378934 /nfs/dbraw/zinc/37/89/34/576378934.db2.gz UOVABCSIQQOPMP-UHFFFAOYSA-N -1 0 335.363 3.453 20 30 EGEDRM N#Cc1ccc(SCC(=O)Nc2cc(C(=O)[O-])ccc2F)cc1 ZINC000739132853 576379285 /nfs/dbraw/zinc/37/92/85/576379285.db2.gz VGVVYAYEITVQLS-UHFFFAOYSA-N -1 0 330.340 3.126 20 30 EGEDRM O=C([O-])c1ccc2[nH]cc(CN=Nc3nc(-c4ccccc4)no3)c2c1 ZINC000740190231 576562535 /nfs/dbraw/zinc/56/25/35/576562535.db2.gz NPIVGWVXVBDMBU-UHFFFAOYSA-N -1 0 347.334 3.362 20 30 EGEDRM COc1ccc2c(c1)OCC[C@H]2/N=C/c1cc([N+](=O)[O-])ccc1[O-] ZINC000741755496 576717504 /nfs/dbraw/zinc/71/75/04/576717504.db2.gz DNLCZYXCCBBAGD-BFERYNQYSA-N -1 0 328.324 3.252 20 30 EGEDRM CCCCCCCCOCC(=O)[N-]S(=O)(=O)c1cccc(C)c1 ZINC000744007195 576818812 /nfs/dbraw/zinc/81/88/12/576818812.db2.gz CHUNVXXEGCWAMK-UHFFFAOYSA-N -1 0 341.473 3.177 20 30 EGEDRM CCc1ccc(NC(=O)C(C#N)=C([O-])c2scnc2Cl)cc1 ZINC000744936141 576837268 /nfs/dbraw/zinc/83/72/68/576837268.db2.gz MCBJYSIBGBKETM-LLVKDONJSA-N -1 0 333.800 3.320 20 30 EGEDRM N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@H](C(=O)[O-])C2)cc1 ZINC000819084362 596909637 /nfs/dbraw/zinc/90/96/37/596909637.db2.gz NKSSTYUMTHSINJ-WMZOPIPTSA-N -1 0 349.390 3.280 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1nc(-c2ccccc2Cl)cs1 ZINC000819865721 598221812 /nfs/dbraw/zinc/22/18/12/598221812.db2.gz NYJIQWSTPGDIPD-OAHLLOKOSA-N -1 0 349.799 3.407 20 30 EGEDRM C[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000820113618 598222391 /nfs/dbraw/zinc/22/23/91/598222391.db2.gz DLYPXTKLJIVZJV-RTHLEPHNSA-N -1 0 329.183 3.175 20 30 EGEDRM C[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000820113619 598222405 /nfs/dbraw/zinc/22/24/05/598222405.db2.gz DLYPXTKLJIVZJV-XLKFXECMSA-N -1 0 329.183 3.175 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1cccc(COC2CCCCC2)c1 ZINC000819856620 598225522 /nfs/dbraw/zinc/22/55/22/598225522.db2.gz LDUZVEFCFWYDKU-LJQANCHMSA-N -1 0 344.411 3.479 20 30 EGEDRM C[C@H](CNC(=O)[C@](C)(C#N)CC(=O)[O-])c1c(Cl)cccc1Cl ZINC000820101624 598226277 /nfs/dbraw/zinc/22/62/77/598226277.db2.gz ABGKNWPVQPSIEF-PSLIRLAXSA-N -1 0 343.210 3.218 20 30 EGEDRM C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000237402558 600548938 /nfs/dbraw/zinc/54/89/38/600548938.db2.gz VEDNYJCFNLHYBO-JTQLQIEISA-N -1 0 345.317 3.063 20 30 EGEDRM CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000826951776 600914193 /nfs/dbraw/zinc/91/41/93/600914193.db2.gz PHZIFLAFRKLAOI-IAGOWNOFSA-N -1 0 328.412 3.186 20 30 EGEDRM N#Cc1cccc(C(=O)N2C[C@@H](C3CCCCC3)C[C@H]2C(=O)[O-])c1 ZINC000833073906 601091264 /nfs/dbraw/zinc/09/12/64/601091264.db2.gz KBPVFMCYXPVJQZ-IRXDYDNUSA-N -1 0 326.396 3.054 20 30 EGEDRM O=C([O-])Nc1ccc(C(=O)OCC#Cc2ccc(Cl)cc2)cc1O ZINC000833282601 601175379 /nfs/dbraw/zinc/17/53/79/601175379.db2.gz JGBZEYBRNXRBEC-UHFFFAOYSA-N -1 0 345.738 3.344 20 30 EGEDRM C[C@H](C#N)CSc1ccccc1NC(=O)c1ccnc(C(=O)[O-])c1 ZINC000825967712 601285921 /nfs/dbraw/zinc/28/59/21/601285921.db2.gz ZEOODEQMWZPXHS-LLVKDONJSA-N -1 0 341.392 3.284 20 30 EGEDRM N#Cc1cccc([C@@H](Nc2cccc(NC(=O)C3CC3)c2)C(=O)[O-])c1 ZINC000833075332 601299880 /nfs/dbraw/zinc/29/98/80/601299880.db2.gz KECNGBDKBPBKBW-QGZVFWFLSA-N -1 0 335.363 3.145 20 30 EGEDRM C#Cc1cccc(NC(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)c1 ZINC000825636338 601308886 /nfs/dbraw/zinc/30/88/86/601308886.db2.gz HWKDJGCXIKBALK-INIZCTEOSA-N -1 0 326.327 3.145 20 30 EGEDRM C=CCOc1ccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000825699301 601348266 /nfs/dbraw/zinc/34/82/66/601348266.db2.gz VYRHYPNHVQUWAP-QGZVFWFLSA-N -1 0 337.331 3.106 20 30 EGEDRM Cc1[nH]c(C2=NNC(=Nc3cccc(C)c3)SC2)c(C)c1C(=O)[O-] ZINC000832970897 601399410 /nfs/dbraw/zinc/39/94/10/601399410.db2.gz LXFLHKPROOFGMJ-UHFFFAOYSA-N -1 0 342.424 3.366 20 30 EGEDRM N#Cc1ccc(CCC(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)cc2)cc1 ZINC000833073359 601584297 /nfs/dbraw/zinc/58/42/97/601584297.db2.gz ZZQSUAXGGZSDNC-QGZVFWFLSA-N -1 0 342.782 3.086 20 30 EGEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](CC(=O)[O-])C1CC1 ZINC000825966486 601624096 /nfs/dbraw/zinc/62/40/96/601624096.db2.gz FDLPUZKQRNFJFD-FZMZJTMJSA-N -1 0 347.440 3.313 20 30 EGEDRM N#Cc1ccc([C@H](NCc2cc([N+](=O)[O-])ccc2Cl)C(=O)[O-])cc1 ZINC000833071342 601644270 /nfs/dbraw/zinc/64/42/70/601644270.db2.gz FEHHMVCCAGVKRV-HNNXBMFYSA-N -1 0 345.742 3.035 20 30 EGEDRM C[C@H](C#N)CSc1ccccc1NC(=O)N1C[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000825967393 601792026 /nfs/dbraw/zinc/79/20/26/601792026.db2.gz VRNNWBBCSONXQE-AGIUHOORSA-N -1 0 347.440 3.123 20 30 EGEDRM CC[C@@](C)(C#N)NC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000828604031 601992012 /nfs/dbraw/zinc/99/20/12/601992012.db2.gz SPUCSNZVWULWLF-ZDUSSCGKSA-N -1 0 329.278 3.217 20 30 EGEDRM N#CCCCCNC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000833062025 602001730 /nfs/dbraw/zinc/00/17/30/602001730.db2.gz IWEYMSGUALILQS-UHFFFAOYSA-N -1 0 329.278 3.219 20 30 EGEDRM N#C[C@H]1CCC[C@H]1NC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000833064276 602026680 /nfs/dbraw/zinc/02/66/80/602026680.db2.gz HBTVMEYFSNQYBY-PRHODGIISA-N -1 0 341.289 3.217 20 30 EGEDRM CC1CC(C#N)(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)C1 ZINC000828156868 602027203 /nfs/dbraw/zinc/02/72/03/602027203.db2.gz TXHNCEAAZKJPFB-UHFFFAOYSA-N -1 0 332.425 3.273 20 30 EGEDRM C[C@H](Oc1ccc(C=NNCc2cccc3cccnc32)cc1)C(=O)[O-] ZINC000794896311 602072314 /nfs/dbraw/zinc/07/23/14/602072314.db2.gz KFYLJCJHBNQQTF-AWEZNQCLSA-N -1 0 349.390 3.210 20 30 EGEDRM CC(C)n1cc(C(=O)/C=C\c2ccc(O[C@@H](C)C(=O)[O-])cc2)cn1 ZINC000827884697 602111719 /nfs/dbraw/zinc/11/17/19/602111719.db2.gz YVAJSIRWCFFKEK-XURPKSDJSA-N -1 0 328.368 3.212 20 30 EGEDRM COc1ccc(-c2csc(C(C#N)C(=O)[C@@H](C)CC(=O)[O-])n2)cc1 ZINC000832124510 602186329 /nfs/dbraw/zinc/18/63/29/602186329.db2.gz PTBWWCHBUILLPF-GWCFXTLKSA-N -1 0 344.392 3.106 20 30 EGEDRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1cccc(CC#N)c1 ZINC000829028003 604427988 /nfs/dbraw/zinc/42/79/88/604427988.db2.gz QTLOUAPLXYWXPP-GOSISDBHSA-N -1 0 336.391 3.431 20 30 EGEDRM C=CCc1cc(OC)cc(CN2Cc3ccc(C(=O)[O-])cc3C2)c1O ZINC000833380080 604502243 /nfs/dbraw/zinc/50/22/43/604502243.db2.gz UFMLVPODZWOJAV-UHFFFAOYSA-N -1 0 339.391 3.343 20 30 EGEDRM Cc1c(C#N)cccc1NC(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000832849627 604557668 /nfs/dbraw/zinc/55/76/68/604557668.db2.gz MGIBTMMJCCOENJ-SUMWQHHRSA-N -1 0 337.379 3.450 20 30 EGEDRM C[C@@H](C(=O)OCc1cccc(C(=O)[O-])c1C#N)c1cccc(F)c1 ZINC000833410314 604584512 /nfs/dbraw/zinc/58/45/12/604584512.db2.gz VXPWEVUFEUWYCX-LLVKDONJSA-N -1 0 327.311 3.242 20 30 EGEDRM C=C(C)[C@H](CC(=O)Oc1ccc2c(c1)c(C(=O)[O-])c(C)n2C)OCC ZINC000833368875 604614754 /nfs/dbraw/zinc/61/47/54/604614754.db2.gz WGDQSRREHQWPRM-INIZCTEOSA-N -1 0 345.395 3.462 20 30 EGEDRM C=CCOc1ccc(CN2Cc3ccc(C(=O)[O-])cc3C2)cc1OC ZINC000833377782 604634655 /nfs/dbraw/zinc/63/46/55/604634655.db2.gz NKQGUTYFVJZQLZ-UHFFFAOYSA-N -1 0 339.391 3.474 20 30 EGEDRM Cc1ccc(Cl)c(N)c1C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832934242 604692569 /nfs/dbraw/zinc/69/25/69/604692569.db2.gz MYOXTIFOZDYBMQ-HNNXBMFYSA-N -1 0 344.754 3.085 20 30 EGEDRM CC[C@H](C#N)Oc1cc(CNc2cccc(C(=O)[O-])n2)ccc1OC ZINC000833636415 604713402 /nfs/dbraw/zinc/71/34/02/604713402.db2.gz QRHCPCPOZLQNFD-CYBMUJFWSA-N -1 0 341.367 3.081 20 30 EGEDRM CC(C)(C#N)c1ccccc1COC(=O)Cc1cccc(C(=O)[O-])c1 ZINC000833413877 604726488 /nfs/dbraw/zinc/72/64/88/604726488.db2.gz VSCGUEAOZJQHBQ-UHFFFAOYSA-N -1 0 337.375 3.472 20 30 EGEDRM C=C[C@H](CC(=O)OCC(=O)c1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000833370640 604730398 /nfs/dbraw/zinc/73/03/98/604730398.db2.gz FOZKRVUZCVMFLV-CQSZACIVSA-N -1 0 338.359 3.471 20 30 EGEDRM C=CCn1c(COc2ccccc2)nnc1SC/C=C(/C)C(=O)[O-] ZINC000825711284 604749593 /nfs/dbraw/zinc/74/95/93/604749593.db2.gz XKUABZHEJDTZMC-LCYFTJDESA-N -1 0 345.424 3.166 20 30 EGEDRM Cc1sc(NC(=O)COc2ccc(C#N)cc2F)c(C(=O)[O-])c1C ZINC000833036237 604762480 /nfs/dbraw/zinc/76/24/80/604762480.db2.gz INVALTWPAAIVIE-UHFFFAOYSA-N -1 0 348.355 3.091 20 30 EGEDRM N#C[C@H](COC(=O)c1ccc(C(=O)[O-])c(F)c1)Cc1ccccc1 ZINC000833062378 604888560 /nfs/dbraw/zinc/88/85/60/604888560.db2.gz AVIPDRMPBJZNLG-CYBMUJFWSA-N -1 0 327.311 3.063 20 30 EGEDRM CN(C(=O)[O-])c1ccc(NC(=O)N(CCC#N)Cc2ccco2)cc1 ZINC000830514574 604951500 /nfs/dbraw/zinc/95/15/00/604951500.db2.gz SXWZIWZIDDWWPV-UHFFFAOYSA-N -1 0 342.355 3.342 20 30 EGEDRM C=CCOc1ccc(C(=O)Nc2nc(CC)c(C(=O)[O-])s2)cc1 ZINC000833377649 604997360 /nfs/dbraw/zinc/99/73/60/604997360.db2.gz HABVXGRKRJAZMM-UHFFFAOYSA-N -1 0 332.381 3.221 20 30 EGEDRM C#CCCCCC(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC000833363014 605010163 /nfs/dbraw/zinc/01/01/63/605010163.db2.gz WROILAHXOUANDZ-UHFFFAOYSA-N -1 0 343.301 3.458 20 30 EGEDRM C=CCOc1ccc(C(F)(F)F)cc1C(=O)O[C@H](CC)C(=O)[O-] ZINC000833377991 605015226 /nfs/dbraw/zinc/01/52/26/605015226.db2.gz UYAXOVAYWXPXPM-LLVKDONJSA-N -1 0 332.274 3.290 20 30 EGEDRM C=CCn1c(SCc2ccccc2CC(=O)[O-])nnc1C1CC1 ZINC000833380767 605052781 /nfs/dbraw/zinc/05/27/81/605052781.db2.gz OODQAQDVJOYBAB-UHFFFAOYSA-N -1 0 329.425 3.261 20 30 EGEDRM C=CCCC[C@H](C)NC(=O)C(=O)Nc1ccc(C(C)C)cc1C(=O)[O-] ZINC000833373733 605057325 /nfs/dbraw/zinc/05/73/25/605057325.db2.gz ZPLZYAOAUPZZIH-ZDUSSCGKSA-N -1 0 346.427 3.308 20 30 EGEDRM CN(C(=O)[O-])c1ccccc1C(=O)OCc1cccc(C#N)c1F ZINC000833685214 605071232 /nfs/dbraw/zinc/07/12/32/605071232.db2.gz HURBJYBFPCMIGN-UHFFFAOYSA-N -1 0 328.299 3.169 20 30 EGEDRM O=C([O-])c1ccccc1NN=Cc1cc(O)ccc1Br ZINC000769797180 605099167 /nfs/dbraw/zinc/09/91/67/605099167.db2.gz OZJWKPMJXWZECH-UHFFFAOYSA-N -1 0 335.157 3.299 20 30 EGEDRM O=C([O-])c1ccccc1NN=Cc1c[nH]nc1-c1c(F)cccc1F ZINC000755602577 605100236 /nfs/dbraw/zinc/10/02/36/605100236.db2.gz WKVHWTGMBVWZIQ-UHFFFAOYSA-N -1 0 342.305 3.499 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@@H]1CCC(=O)C[C@@H]1C ZINC000833379848 605130571 /nfs/dbraw/zinc/13/05/71/605130571.db2.gz NXNSGTCYRYHZGZ-XHDPSFHLSA-N -1 0 346.379 3.033 20 30 EGEDRM Cc1ccc([C@@H](CNC(=O)c2ccc(C3(C#N)CC3)cc2)C(=O)[O-])cc1 ZINC000833748462 605232999 /nfs/dbraw/zinc/23/29/99/605232999.db2.gz AEDMGRUHSHMDCR-GOSISDBHSA-N -1 0 348.402 3.148 20 30 EGEDRM C=CCCC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000398053403 605250301 /nfs/dbraw/zinc/25/03/01/605250301.db2.gz CFPNQZABNNLNML-SNVBAGLBSA-N -1 0 331.821 3.061 20 30 EGEDRM C=CCCC[C@@H](C)NS(=O)(=O)c1ccc(Cl)cc1C(=O)[O-] ZINC000833373842 605250343 /nfs/dbraw/zinc/25/03/43/605250343.db2.gz FKTDEBMOFYIVKZ-SNVBAGLBSA-N -1 0 331.821 3.061 20 30 EGEDRM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)CC(C)(C)CC(=O)[O-] ZINC000833486219 605257292 /nfs/dbraw/zinc/25/72/92/605257292.db2.gz CJKRVSSIZLTFKD-UHFFFAOYSA-N -1 0 330.428 3.434 20 30 EGEDRM C=C(C)[C@@H](CC(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1)OCC ZINC000833367648 605302659 /nfs/dbraw/zinc/30/26/59/605302659.db2.gz PYPCBTDPHRQBDS-IEBWSBKVSA-N -1 0 341.407 3.453 20 30 EGEDRM C#CCOc1ccc(C(=O)OCc2ccc(NC(=O)[O-])cc2)cc1 ZINC000833366043 605302946 /nfs/dbraw/zinc/30/29/46/605302946.db2.gz CKSKABWXICKFBZ-UHFFFAOYSA-N -1 0 325.320 3.146 20 30 EGEDRM COc1cc(F)cc(NN=C(C)c2ccccc2OCC(=O)[O-])c1 ZINC000833728567 605331347 /nfs/dbraw/zinc/33/13/47/605331347.db2.gz FZLUAOSUKPLIMH-UHFFFAOYSA-N -1 0 332.331 3.134 20 30 EGEDRM C[C@]1(C#N)CCCN(Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000833551803 605419615 /nfs/dbraw/zinc/41/96/15/605419615.db2.gz RYZRTNJGEUAXGH-GOSISDBHSA-N -1 0 325.368 3.165 20 30 EGEDRM Cc1ccc(C[C@H](C)C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000833749036 605460236 /nfs/dbraw/zinc/46/02/36/605460236.db2.gz ZXSKZSWQUHLWAZ-KBXCAEBGSA-N -1 0 337.375 3.414 20 30 EGEDRM C=CCN(CCc1ccco1)C(=O)Nc1cc(OC)ccc1C(=O)[O-] ZINC000833374724 605483847 /nfs/dbraw/zinc/48/38/47/605483847.db2.gz ZYUZCKNAULXHDB-UHFFFAOYSA-N -1 0 344.367 3.249 20 30 EGEDRM C=CCN(CCc1ccco1)C(=O)c1[nH]c(CC)c(C(=O)[O-])c1C ZINC000833374371 605486280 /nfs/dbraw/zinc/48/62/80/605486280.db2.gz HSJXSOYLMPRVTD-UHFFFAOYSA-N -1 0 330.384 3.048 20 30 EGEDRM C#CCCCCCC(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000833361911 605600834 /nfs/dbraw/zinc/60/08/34/605600834.db2.gz RONSBJGOAUOJIF-UHFFFAOYSA-N -1 0 338.407 3.335 20 30 EGEDRM C[C@H]1CC[C@@H](C(F)(F)F)CN1Cc1cccc(C(=O)[O-])c1C#N ZINC000833606730 605701414 /nfs/dbraw/zinc/70/14/14/605701414.db2.gz UZGLYHJHXMKJQR-CMPLNLGQSA-N -1 0 326.318 3.419 20 30 EGEDRM Clc1cc(NN=Cc2cccc3[nH]ccc32)ccc1-c1nn[nH]n1 ZINC000826351517 609471787 /nfs/dbraw/zinc/47/17/87/609471787.db2.gz PQPBCEIERWAVOE-UHFFFAOYSA-N -1 0 337.774 3.447 20 30 EGEDRM Cn1ncc2c1nc(N=NC1CCCC[C@H]1c1ccccc1)[n-]c2=O ZINC000769818090 1303180117 /nfs/dbraw/zinc/18/01/17/1303180117.db2.gz FUWOFPJQPNQBLK-ZDUSSCGKSA-N -1 0 336.399 3.195 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(Br)o2)cc1 ZINC000008680264 1291106902 /nfs/dbraw/zinc/10/69/02/1291106902.db2.gz JSUOJIPWZLUOLM-UHFFFAOYSA-N -1 0 344.186 3.044 20 30 EGEDRM O=C(C=Cc1cccs1)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000042234362 1291437185 /nfs/dbraw/zinc/43/71/85/1291437185.db2.gz WRJFPYCANWQQMG-VOTSOKGWSA-N -1 0 338.366 3.015 20 30 EGEDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)c1cc(Cl)ccc1F ZINC000042242206 1291437190 /nfs/dbraw/zinc/43/71/90/1291437190.db2.gz OXBKCXAAMSJLFF-UHFFFAOYSA-N -1 0 327.764 3.481 20 30 EGEDRM O=C([N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC=CCC1 ZINC000042240945 1291437262 /nfs/dbraw/zinc/43/72/62/1291437262.db2.gz GUQVXYXYMBXKNK-SECBINFHSA-N -1 0 344.776 3.250 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)Cc2ccc3c(c2)CCC3)cc1 ZINC000042235115 1291437478 /nfs/dbraw/zinc/43/74/78/1291437478.db2.gz HXJQMVNMGINGOR-UHFFFAOYSA-N -1 0 329.421 3.372 20 30 EGEDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)COc1c(C)cccc1C ZINC000042242556 1291437519 /nfs/dbraw/zinc/43/75/19/1291437519.db2.gz QVMQIPZWXZGRSR-UHFFFAOYSA-N -1 0 333.409 3.336 20 30 EGEDRM O=C([N-]S(=O)(=O)Cc1ccc(F)cc1)c1ccc2ccccc2n1 ZINC000045100024 1291505723 /nfs/dbraw/zinc/50/57/23/1291505723.db2.gz MJBQUIHGFFESMD-UHFFFAOYSA-N -1 0 344.367 3.209 20 30 EGEDRM COc1ccc(C=CC(=O)[N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000046927347 1291556698 /nfs/dbraw/zinc/55/66/98/1291556698.db2.gz LQGSUZOBOFXKOO-KPKJPENVSA-N -1 0 331.393 3.362 20 30 EGEDRM O=C(Cc1ccccc1F)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000046928764 1291557688 /nfs/dbraw/zinc/55/76/88/1291557688.db2.gz GSMIDJZAQFGOMJ-UHFFFAOYSA-N -1 0 333.793 3.429 20 30 EGEDRM COc1ccccc1CC(=O)[N-]S(=O)(=O)c1cc(C)ccc1C ZINC000046929348 1291558153 /nfs/dbraw/zinc/55/81/53/1291558153.db2.gz IBKOTBQFTVBCEH-UHFFFAOYSA-N -1 0 333.409 3.200 20 30 EGEDRM Cc1ccc(-c2nc(C(=O)[N-]S(=O)(=O)c3ccccc3)cs2)o1 ZINC000048407273 1291603462 /nfs/dbraw/zinc/60/34/62/1291603462.db2.gz IWWDFVXPFWJBNI-UHFFFAOYSA-N -1 0 348.405 3.405 20 30 EGEDRM CCc1ccccc1OCC(=O)[N-]S(=O)(=O)c1cccs1 ZINC000048427230 1291604921 /nfs/dbraw/zinc/60/49/21/1291604921.db2.gz XPDJBNWFXRFYRE-UHFFFAOYSA-N -1 0 325.411 3.035 20 30 EGEDRM Cc1[nH]c2ccccc2c1C(=O)[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000048454108 1291606182 /nfs/dbraw/zinc/60/61/82/1291606182.db2.gz IGQMILNSNMERIJ-UHFFFAOYSA-N -1 0 332.356 3.309 20 30 EGEDRM Cc1ccc(O[C@H](C)C(=O)[N-]S(=O)(=O)c2ccccc2F)cc1 ZINC000048588870 1291612072 /nfs/dbraw/zinc/61/20/72/1291612072.db2.gz QUARBOSTZBZHQT-GFCCVEGCSA-N -1 0 337.372 3.247 20 30 EGEDRM N#Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000048614766 1291613481 /nfs/dbraw/zinc/61/34/81/1291613481.db2.gz PKVHOTWBTYULJB-UHFFFAOYSA-N -1 0 340.404 3.131 20 30 EGEDRM CC(C)Cc1nc(C(=O)[N-]S(=O)(=O)c2ccccc2F)cs1 ZINC000064100133 1292041263 /nfs/dbraw/zinc/04/12/63/1292041263.db2.gz ACCIJFQXNRQCHN-UHFFFAOYSA-N -1 0 342.417 3.174 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]C(=O)C[C@@H](C)C2CC2)cc([N+](=O)[O-])c1C ZINC000064666524 1292062675 /nfs/dbraw/zinc/06/26/75/1292062675.db2.gz NPGWOLGRDDIFMH-SNVBAGLBSA-N -1 0 340.401 3.293 20 30 EGEDRM CSC[C@@H](C)C(=O)[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000067001105 1292138495 /nfs/dbraw/zinc/13/84/95/1292138495.db2.gz WRPMOFPMPROGBX-MRVPVSSYSA-N -1 0 341.376 3.350 20 30 EGEDRM C[C@H](Oc1ccc(F)c(F)c1)C(=O)[N-]S(=O)(=O)c1ccccc1 ZINC000068721567 1292213414 /nfs/dbraw/zinc/21/34/14/1292213414.db2.gz RERMZWYSMNJHQF-JTQLQIEISA-N -1 0 341.335 3.078 20 30 EGEDRM CC(C)Oc1cccc(CC(=O)[N-]S(=O)(=O)c2ccccc2)c1 ZINC000069282089 1292237942 /nfs/dbraw/zinc/23/79/42/1292237942.db2.gz GSPKQTVULCKHKR-UHFFFAOYSA-N -1 0 333.409 3.362 20 30 EGEDRM N#Cc1c(Cl)cccc1N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000828223107 1292442878 /nfs/dbraw/zinc/44/28/78/1292442878.db2.gz LQRDUZTVJPUZNC-SNVBAGLBSA-N -1 0 345.752 3.107 20 30 EGEDRM CCC(CC)S(=O)(=O)[N-]C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000077878782 1292488873 /nfs/dbraw/zinc/48/88/73/1292488873.db2.gz SQUYQHMYLPCURJ-UHFFFAOYSA-N -1 0 334.781 3.071 20 30 EGEDRM CCCCO[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccccc1Cl ZINC000083791392 1292689967 /nfs/dbraw/zinc/68/99/67/1292689967.db2.gz ITTCCWHRTLHILV-NSHDSACASA-N -1 0 333.837 3.332 20 30 EGEDRM O=C([N-]S(=O)(=O)C1CCCC1)c1cccn1Cc1cccs1 ZINC000086056326 1292728603 /nfs/dbraw/zinc/72/86/03/1292728603.db2.gz VVGUOUYBPJMDEP-UHFFFAOYSA-N -1 0 338.454 3.175 20 30 EGEDRM O=C([N-]S(=O)(=O)C1CCCC1)c1ccc(Oc2cccnc2)cc1 ZINC000086055768 1292728882 /nfs/dbraw/zinc/72/88/82/1292728882.db2.gz OKYDTVNRKFBHBV-UHFFFAOYSA-N -1 0 346.408 3.451 20 30 EGEDRM CN(CCCCN=Nc1ccc(C(=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000834912172 1293175238 /nfs/dbraw/zinc/17/52/38/1293175238.db2.gz JYNODOLQJUGSDR-UHFFFAOYSA-N -1 0 335.404 3.430 20 30 EGEDRM CC[C@@H](NN=Cc1cc(Cl)c(C)cc1Br)C(=O)[O-] ZINC000834980855 1293183763 /nfs/dbraw/zinc/18/37/63/1293183763.db2.gz DTTQACBZUKCGAH-LLVKDONJSA-N -1 0 333.613 3.198 20 30 EGEDRM CC(=NN[C@@H](C)C(F)(F)F)c1cccc(OCCCC(=O)[O-])c1 ZINC000834998614 1293184691 /nfs/dbraw/zinc/18/46/91/1293184691.db2.gz JVWYADMQEUUYPB-NSHDSACASA-N -1 0 332.322 3.195 20 30 EGEDRM CCOC(=O)[C@H]1CCC(N=Nc2ccc(C(=O)[O-])c(F)c2)[C@@H](C)C1 ZINC000835009738 1293186490 /nfs/dbraw/zinc/18/64/90/1293186490.db2.gz BUNAXLIHVIVQRB-QWRGUYRKSA-N -1 0 336.363 3.291 20 30 EGEDRM CC(C)(C)c1ncc(C([O-])=C(C#N)C(=O)NCc2ccccc2)s1 ZINC000119898599 1293293225 /nfs/dbraw/zinc/29/32/25/1293293225.db2.gz WDTLTFPRDPFFCD-CYBMUJFWSA-N -1 0 341.436 3.079 20 30 EGEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)CCCCCc1cccs1 ZINC000123229810 1293437463 /nfs/dbraw/zinc/43/74/63/1293437463.db2.gz YGZGZDQNMXJJOR-CQSZACIVSA-N -1 0 329.425 3.176 20 30 EGEDRM CC(C)NC(=O)C(C#N)=C([O-])c1cc2c(s1)-c1ccccc1CC2 ZINC000130623525 1293662932 /nfs/dbraw/zinc/66/29/32/1293662932.db2.gz WSVURHGPIREBJP-OAHLLOKOSA-N -1 0 338.432 3.361 20 30 EGEDRM CC(C)NC(=O)C(C#N)=C([O-])c1cc2cc(Br)ccc2o1 ZINC000130952193 1293673417 /nfs/dbraw/zinc/67/34/17/1293673417.db2.gz YVZYPLPXIBRSMV-NSHDSACASA-N -1 0 349.184 3.042 20 30 EGEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000130992192 1293675686 /nfs/dbraw/zinc/67/56/86/1293675686.db2.gz GNNGAGIWVWKZFQ-CQSZACIVSA-N -1 0 349.774 3.020 20 30 EGEDRM O=C(/C=C/c1cccc(-n2cccn2)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000136519462 1293817342 /nfs/dbraw/zinc/81/73/42/1293817342.db2.gz ZAYAOQNJJIKJGG-FNORWQNLSA-N -1 0 335.319 3.382 20 30 EGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)c1cc(C2CC2)[nH]n1 ZINC000147704462 1293880844 /nfs/dbraw/zinc/88/08/44/1293880844.db2.gz UPQIXHCJWBLPJO-ZDUSSCGKSA-N -1 0 332.363 3.282 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cnn(C2CCCC2)c1C ZINC000153197404 1294002436 /nfs/dbraw/zinc/00/24/36/1294002436.db2.gz XNGNNJOYIKJKQS-MRXNPFEDSA-N -1 0 344.459 3.326 20 30 EGEDRM COc1ccc(OC)c(C(=O)/C=C/c2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000157204689 1294172068 /nfs/dbraw/zinc/17/20/68/1294172068.db2.gz MTFIFDVBPVUARB-XVNBXDOJSA-N -1 0 329.308 3.214 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1 ZINC000161358300 1294290604 /nfs/dbraw/zinc/29/06/04/1294290604.db2.gz CZOJGTCISFMRSA-UHFFFAOYSA-N -1 0 348.252 3.055 20 30 EGEDRM CC[C@@H](C)Oc1ccc(C([O-])=C(C#N)C(=O)NC2CCCC2)cc1 ZINC000175118882 1294539735 /nfs/dbraw/zinc/53/97/35/1294539735.db2.gz MBPPHKHMOSTETN-CXAGYDPISA-N -1 0 328.412 3.245 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)c2c[nH]nc2-c2c(F)cccc2F)c1 ZINC000179733388 1294819555 /nfs/dbraw/zinc/81/95/55/1294819555.db2.gz KLMWQKMEZUBPCS-UHFFFAOYSA-N -1 0 340.289 3.184 20 30 EGEDRM Cc1ccc(N(CCC#N)C(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000181937082 1295008314 /nfs/dbraw/zinc/00/83/14/1295008314.db2.gz XIOWGLVSUWTCFK-UHFFFAOYSA-N -1 0 325.324 3.169 20 30 EGEDRM O=C([O-])CCCOc1ccc(C(=O)/C=C/c2ccc(F)nc2)cc1 ZINC000186384981 1295322354 /nfs/dbraw/zinc/32/23/54/1295322354.db2.gz SIMWACHHPCDDJU-YCRREMRBSA-N -1 0 329.327 3.360 20 30 EGEDRM COc1cc(C(=O)/C=C/c2ccc3c(c2)CCC(=O)N3C)ccc1O ZINC000187631863 1295404149 /nfs/dbraw/zinc/40/41/49/1295404149.db2.gz JCWZALLUWAZPDL-XBXARRHUSA-N -1 0 337.375 3.206 20 30 EGEDRM CC(C)N(C)c1ccc(/C=C/C(=O)c2ccc([O-])c([N+](=O)[O-])c2)cn1 ZINC000191328266 1295669829 /nfs/dbraw/zinc/66/98/29/1295669829.db2.gz MGVVWLJQYVQAIV-QPJJXVBHSA-N -1 0 341.367 3.436 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc2ccn(C)c2c1 ZINC000870133545 1295693064 /nfs/dbraw/zinc/69/30/64/1295693064.db2.gz BGQWTLBLZDVIOO-MRXNPFEDSA-N -1 0 325.412 3.197 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)CC(C)(C)c2ccc(F)cc2)CC1 ZINC000870369586 1295837867 /nfs/dbraw/zinc/83/78/67/1295837867.db2.gz MPDZDJMRCLAQNF-UHFFFAOYSA-N -1 0 339.432 3.048 20 30 EGEDRM Cc1ccc(-c2cc(C([O-])=C(C#N)C(=O)Nc3cccc(C)c3)n[nH]2)o1 ZINC000193440595 1295868654 /nfs/dbraw/zinc/86/86/54/1295868654.db2.gz OXRCURLWHLXRSU-AWEZNQCLSA-N -1 0 348.362 3.248 20 30 EGEDRM COc1ccc(/C=C\C(=O)c2cc(F)ccc2[O-])c(OC)c1OC ZINC000206849978 1296094110 /nfs/dbraw/zinc/09/41/10/1296094110.db2.gz AJUIWYSRJFDGBD-DAXSKMNVSA-N -1 0 332.327 3.453 20 30 EGEDRM C[C@H](Oc1cccc(/C=C\C(=O)c2ccc([N+](=O)[O-])cc2)c1)C(=O)[O-] ZINC000208112087 1296097577 /nfs/dbraw/zinc/09/75/77/1296097577.db2.gz LNMZOSAAPQDYAD-JSJZCHLLSA-N -1 0 341.319 3.343 20 30 EGEDRM COc1cccc(C(=O)/C=C\c2ccc(OCC(=O)[O-])c(OC)c2)c1 ZINC000211756178 1296105677 /nfs/dbraw/zinc/10/56/77/1296105677.db2.gz STDHYMOSWUJLJQ-VURMDHGXSA-N -1 0 342.347 3.063 20 30 EGEDRM CCN(C(C)=O)c1nc(/C=C\C(=O)c2ccc(F)cc2[O-])cs1 ZINC000255312389 1296517862 /nfs/dbraw/zinc/51/78/62/1296517862.db2.gz DXTKIPCWJVKKJU-ALCCZGGFSA-N -1 0 334.372 3.257 20 30 EGEDRM C[C@@H](C#N)Oc1ccc(/C=C\C(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000255505763 1296539937 /nfs/dbraw/zinc/53/99/37/1296539937.db2.gz BCJBEJOBUNYKGM-LDJOOVGUSA-N -1 0 338.319 3.487 20 30 EGEDRM C=CC1CCN(C(=O)c2cc(Br)cc(C(=O)[O-])c2)CC1 ZINC000262697287 1296644042 /nfs/dbraw/zinc/64/40/42/1296644042.db2.gz XYILIKYJUHEQCY-UHFFFAOYSA-N -1 0 338.201 3.186 20 30 EGEDRM Cc1nn(C)c2nc(Cl)cc(N=NC3CC[C@@H](C(=O)[O-])[C@H](C)C3)c12 ZINC000872422066 1296951057 /nfs/dbraw/zinc/95/10/57/1296951057.db2.gz FVMQAIALEPFMNP-LDYMZIIASA-N -1 0 349.822 3.219 20 30 EGEDRM C#CC[C@@H](NC(=O)[C@@](C)(CC(=O)[O-])c1ccsc1)c1ccccc1 ZINC000872851560 1297140690 /nfs/dbraw/zinc/14/06/90/1297140690.db2.gz CQROHXYPGDLEFA-APWZRJJASA-N -1 0 341.432 3.361 20 30 EGEDRM CC(C)C[C@@](C)(CC(=O)[O-])C(=O)Nc1ccccc1O[C@H](C)C#N ZINC000872854558 1297141955 /nfs/dbraw/zinc/14/19/55/1297141955.db2.gz DTNCGFRQXIFEKC-ACJLOTCBSA-N -1 0 332.400 3.443 20 30 EGEDRM Cc1cc([N+](=O)[O-])c(C)cc1[N-]S(=O)(=O)c1ccc(CC#N)cc1 ZINC000326110672 1297233835 /nfs/dbraw/zinc/23/38/35/1297233835.db2.gz AZFIQKZVNPKSLL-UHFFFAOYSA-N -1 0 345.380 3.079 20 30 EGEDRM CCN(C[C@@H](C)C#N)C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-] ZINC000874072643 1297776482 /nfs/dbraw/zinc/77/64/82/1297776482.db2.gz UTXDFNKGNHKGGA-LBPRGKRZSA-N -1 0 326.352 3.086 20 30 EGEDRM O=[N+]([O-])c1cc(Cl)cc(C=Nc2ccc(OC3COC3)cc2)c1[O-] ZINC000588534388 1298079558 /nfs/dbraw/zinc/07/95/58/1298079558.db2.gz KUHZPWUSOOYZKU-UHFFFAOYSA-N -1 0 348.742 3.482 20 30 EGEDRM COc1cc(/C=C\C(=O)c2cccc(OCC(=O)[O-])c2)ccc1C ZINC000588599148 1298090551 /nfs/dbraw/zinc/09/05/51/1298090551.db2.gz KRPSBTUTGZACMS-HJWRWDBZSA-N -1 0 326.348 3.363 20 30 EGEDRM O=C([O-])c1cc(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cs1 ZINC000588594789 1298091297 /nfs/dbraw/zinc/09/12/97/1298091297.db2.gz TVIFUYIYQUKSKE-RQOWECAXSA-N -1 0 348.292 3.159 20 30 EGEDRM Cc1oc2c(ccc([O-])c2CN(C)CC#N)c(=O)c1-c1ccccc1 ZINC000725772223 1298357162 /nfs/dbraw/zinc/35/71/62/1298357162.db2.gz SHXKTOUGHROETA-UHFFFAOYSA-N -1 0 334.375 3.429 20 30 EGEDRM CCOCc1cc(C=NNc2ccc(C(=O)[O-])cc2)ccc1OC ZINC000747603374 1298809189 /nfs/dbraw/zinc/80/91/89/1298809189.db2.gz QTOWLDFOZGAFGM-UHFFFAOYSA-N -1 0 328.368 3.376 20 30 EGEDRM CN(C)c1ccc(/C=C\C(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1F ZINC000749592104 1299241720 /nfs/dbraw/zinc/24/17/20/1299241720.db2.gz XZKOPLSMOONEAF-DAXSKMNVSA-N -1 0 330.315 3.402 20 30 EGEDRM CCN1CCc2ccc([N-]S(=O)(=O)c3cccc(C)c3C#N)cc21 ZINC000749772358 1299268293 /nfs/dbraw/zinc/26/82/93/1299268293.db2.gz IJZYNTFVBHEQAZ-UHFFFAOYSA-N -1 0 341.436 3.050 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])cc1C=NNc1ncc(Cl)cc1Cl ZINC000751129964 1299513120 /nfs/dbraw/zinc/51/31/20/1299513120.db2.gz QPEFRKPIJRIDMG-UHFFFAOYSA-N -1 0 327.127 3.448 20 30 EGEDRM COCCOc1ccccc1/C=C/C(=O)c1ccc(CC(=O)[O-])cc1 ZINC000751514534 1299560073 /nfs/dbraw/zinc/56/00/73/1299560073.db2.gz MZXKOAOCYRFGAY-ZHACJKMWSA-N -1 0 340.375 3.235 20 30 EGEDRM O=C(/C=C/c1ccc([N+](=O)[O-])c([O-])c1)c1cc(F)ccc1[N+](=O)[O-] ZINC000752874992 1299808960 /nfs/dbraw/zinc/80/89/60/1299808960.db2.gz NTQXNZRZYHATSS-QHHAFSJGSA-N -1 0 332.243 3.244 20 30 EGEDRM FC(F)(F)c1n[n-]c(=S)n1N=Cc1coc(-c2ccccc2)n1 ZINC000755510459 1300350273 /nfs/dbraw/zinc/35/02/73/1300350273.db2.gz GVVPQDDRTULCIJ-UHFFFAOYSA-N -1 0 339.302 3.123 20 30 EGEDRM CC(C)(C)CN=Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000755764989 1300392592 /nfs/dbraw/zinc/39/25/92/1300392592.db2.gz VJLFFPNJXZRJGB-UHFFFAOYSA-N -1 0 338.458 3.388 20 30 EGEDRM Cc1ccc(F)c2c1NC(=O)C2=N[N-]c1nc(C(F)(F)F)cs1 ZINC000755904438 1300413487 /nfs/dbraw/zinc/41/34/87/1300413487.db2.gz OKPHNXWQFPRRJD-UHFFFAOYSA-N -1 0 344.293 3.378 20 30 EGEDRM C=C(C)[C@H](CC(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1)OCC ZINC000756500519 1300508281 /nfs/dbraw/zinc/50/82/81/1300508281.db2.gz UQJHBOZLEBASTA-KRWDZBQOSA-N -1 0 347.436 3.016 20 30 EGEDRM CCOc1c(OC)cc(/C=C/C(=O)c2ccc(O)cc2[O-])cc1OC ZINC000757472638 1300675277 /nfs/dbraw/zinc/67/52/77/1300675277.db2.gz QJEPLPOXUUEBIM-VMPITWQZSA-N -1 0 344.363 3.410 20 30 EGEDRM CCC(CC)(C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)SC ZINC000757901003 1300755376 /nfs/dbraw/zinc/75/53/76/1300755376.db2.gz WHHVSZRDHJDCLZ-UHFFFAOYSA-N -1 0 348.440 3.037 20 30 EGEDRM COc1ccc2nc(C)c(C(=O)Nc3cc(C#N)ccc3[O-])cc2c1 ZINC000759712579 1301146610 /nfs/dbraw/zinc/14/66/10/1301146610.db2.gz AMVZVXKXEPJBPT-UHFFFAOYSA-N -1 0 333.347 3.381 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2csc(Cl)c2Cl)C(=O)O1 ZINC000761476084 1301479296 /nfs/dbraw/zinc/47/92/96/1301479296.db2.gz RCTJSVLUHJUTOA-PBKGFPTLSA-N -1 0 331.176 3.283 20 30 EGEDRM CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cc(F)c([O-])c(F)c2)c1 ZINC000762604740 1301711769 /nfs/dbraw/zinc/71/17/69/1301711769.db2.gz JZGFLLYVOWFNNQ-ZDUSSCGKSA-N -1 0 346.333 3.281 20 30 EGEDRM C#CCOc1cccc([N-]S(=O)(=O)c2cc(F)c(C)cc2F)c1 ZINC000762608804 1301711940 /nfs/dbraw/zinc/71/19/40/1301711940.db2.gz UTIYLBMTPVIKGG-UHFFFAOYSA-N -1 0 337.347 3.086 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])c(/C=N/C2CC(OCc3ccccc3)C2)c1 ZINC000766009829 1302367153 /nfs/dbraw/zinc/36/71/53/1302367153.db2.gz ONCRUZFOHUXUTO-YBFXNURJSA-N -1 0 326.352 3.467 20 30 EGEDRM O=C([O-])c1ccc(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])s1 ZINC000766033837 1302374723 /nfs/dbraw/zinc/37/47/23/1302374723.db2.gz NTLUJENDFIUFEZ-RQOWECAXSA-N -1 0 348.292 3.159 20 30 EGEDRM O=C([O-])c1ccoc1COc1ccc(C=NNCC(F)(F)F)cc1 ZINC000769808013 1303178376 /nfs/dbraw/zinc/17/83/76/1303178376.db2.gz GPEZNAQZPJNCMU-UHFFFAOYSA-N -1 0 342.273 3.043 20 30 EGEDRM COCCc1nc(C)c(C(C)=NNc2ccccc2C(=O)[O-])s1 ZINC000770595039 1303291200 /nfs/dbraw/zinc/29/12/00/1303291200.db2.gz BMLXAMZMANWRGU-UHFFFAOYSA-N -1 0 333.413 3.175 20 30 EGEDRM CC(=NNC[C@@H](C)C#N)c1cc(Br)cc(Cl)c1[O-] ZINC000771111659 1303361676 /nfs/dbraw/zinc/36/16/76/1303361676.db2.gz JNWPSGWIBVRVJD-ZETCQYMHSA-N -1 0 330.613 3.281 20 30 EGEDRM N#C[C@]1(NC(=O)c2cccc(Cl)c2[O-])CCc2ccccc2C1 ZINC000771592486 1303424111 /nfs/dbraw/zinc/42/41/11/1303424111.db2.gz WHZDGKJQPNOCTN-SFHVURJKSA-N -1 0 326.783 3.227 20 30 EGEDRM N#C[C@H](c1ccccc1)[C@H]1CCCN1CC(=O)[N-]OCc1ccccc1 ZINC000772200253 1303503018 /nfs/dbraw/zinc/50/30/18/1303503018.db2.gz RCWVQUQCMJKCKH-WOJBJXKFSA-N -1 0 349.434 3.006 20 30 EGEDRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)C=Cc1ccccc1C#N ZINC000773317488 1303661465 /nfs/dbraw/zinc/66/14/65/1303661465.db2.gz QTNONZKEFWYHLG-HJWRWDBZSA-N -1 0 345.362 3.009 20 30 EGEDRM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])c1ccnc(N(C)C)c1 ZINC000773958014 1303756570 /nfs/dbraw/zinc/75/65/70/1303756570.db2.gz XFVZKPBDSXKMOY-HNNXBMFYSA-N -1 0 346.390 3.143 20 30 EGEDRM CCc1cnccc1C(=O)/C=C/c1ccc(OCC(=O)[O-])c(OC)c1 ZINC000776191634 1304110038 /nfs/dbraw/zinc/11/00/38/1304110038.db2.gz IRJWJEPETODHPC-GQCTYLIASA-N -1 0 341.363 3.012 20 30 EGEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)[C@H]1CC[C@@H](C)C1 ZINC000776511434 1304167295 /nfs/dbraw/zinc/16/72/95/1304167295.db2.gz MBDFDJCHAGBXDV-DDTOSNHZSA-N -1 0 344.411 3.136 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cc(C)n([C@@H](C)C2CC2)n1 ZINC000777299596 1304279966 /nfs/dbraw/zinc/27/99/66/1304279966.db2.gz IMQDCVAAAZMHRG-HOCLYGCPSA-N -1 0 344.459 3.182 20 30 EGEDRM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000777940541 1304369483 /nfs/dbraw/zinc/36/94/83/1304369483.db2.gz QSSXJVALCGDBJG-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM C=CCNC(=O)C(C#N)=C([O-])c1cc(C)n(-c2ccccc2C)c1C ZINC000779196703 1304541388 /nfs/dbraw/zinc/54/13/88/1304541388.db2.gz INNOHFLAHBQQKY-QGZVFWFLSA-N -1 0 335.407 3.027 20 30 EGEDRM CCCC[C@@H](CC)CC(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC000779316775 1304555061 /nfs/dbraw/zinc/55/50/61/1304555061.db2.gz TWAIFUAFUYZXIZ-CQSZACIVSA-N -1 0 328.478 3.123 20 30 EGEDRM N#CC1(CS(=O)(=O)[N-]C(=O)c2csc3ccccc23)CCCC1 ZINC000779320349 1304556283 /nfs/dbraw/zinc/55/62/83/1304556283.db2.gz WIAALWQBKIWHRY-UHFFFAOYSA-N -1 0 348.449 3.045 20 30 EGEDRM CC[C@H]1c2ccccc2CN1C(=O)c1cc(C#N)c(SC)[n-]c1=O ZINC000890609103 1304834538 /nfs/dbraw/zinc/83/45/38/1304834538.db2.gz DSRZXZZPAPRQNV-HNNXBMFYSA-N -1 0 339.420 3.488 20 30 EGEDRM CCCCCC[C@@H](CC)C(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1 ZINC000783704413 1305130592 /nfs/dbraw/zinc/13/05/92/1305130592.db2.gz SXIKCHPPKKGMER-CYBMUJFWSA-N -1 0 344.415 3.346 20 30 EGEDRM CCCCCCCCC(=O)[N-]S(=O)(=O)Cc1cccc(OC)c1 ZINC000785112203 1305314894 /nfs/dbraw/zinc/31/48/94/1305314894.db2.gz XLJTYPAZJQXSAA-UHFFFAOYSA-N -1 0 341.473 3.392 20 30 EGEDRM C=C1CCC(C(=O)[N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000892412424 1305357614 /nfs/dbraw/zinc/35/76/14/1305357614.db2.gz YMMFBDOINRLWIL-UHFFFAOYSA-N -1 0 347.358 3.257 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(C2CC2)nc1C ZINC000892465803 1305387326 /nfs/dbraw/zinc/38/73/26/1305387326.db2.gz ULQHUJLKJUZAMW-INIZCTEOSA-N -1 0 327.428 3.286 20 30 EGEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2csc(Cl)c2)c1 ZINC000786541186 1305594253 /nfs/dbraw/zinc/59/42/53/1305594253.db2.gz KTBURIMFVBAGCI-CYBMUJFWSA-N -1 0 332.812 3.349 20 30 EGEDRM CCc1ncc(C([O-])=C(C#N)C(=O)N[C@@H](CC)c2ccccc2)s1 ZINC000787040529 1305681924 /nfs/dbraw/zinc/68/19/24/1305681924.db2.gz LXXVNYXNRUOVTE-KBPBESRZSA-N -1 0 341.436 3.295 20 30 EGEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1cccc(C(C)=O)c1)c1ccccc1 ZINC000787047627 1305684834 /nfs/dbraw/zinc/68/48/34/1305684834.db2.gz XFNRFXXGKBOJCY-RTBURBONSA-N -1 0 348.402 3.479 20 30 EGEDRM CCN(CC)c1ccnc(N=NC(C)c2cc(C(=O)[O-])ccc2C)n1 ZINC000788434845 1305940782 /nfs/dbraw/zinc/94/07/82/1305940782.db2.gz KJZKFOCZSIKSDU-UHFFFAOYSA-N -1 0 341.415 3.166 20 30 EGEDRM CC=C(CC)C(=O)C(C#N)=C([O-])c1c(C)[nH]c(C)c1C(=O)OCC ZINC000789350311 1306144654 /nfs/dbraw/zinc/14/46/54/1306144654.db2.gz FJOJIFLAHQGVJR-MVXISAMASA-N -1 0 330.384 3.056 20 30 EGEDRM COc1ccc(C=NN2CCC(C(C)(C)C)CC2)c(OCC(=O)[O-])c1 ZINC000790179255 1306272695 /nfs/dbraw/zinc/27/26/95/1306272695.db2.gz UWJPQYLVVWAEKB-UHFFFAOYSA-N -1 0 348.443 3.251 20 30 EGEDRM C=CCC1(C(=O)[N-]S(=O)(=O)c2c(C)ccc3cccnc32)CCC1 ZINC000791873756 1309082060 /nfs/dbraw/zinc/08/20/60/1309082060.db2.gz SVJVENQQMWPMGO-UHFFFAOYSA-N -1 0 344.436 3.095 20 30 EGEDRM CS(=O)(=O)[N-]c1cc2ccccc2cc1C(=O)OCCCCC#N ZINC000792577480 1309192295 /nfs/dbraw/zinc/19/22/95/1309192295.db2.gz GVTVGEGAUJOPGC-UHFFFAOYSA-N -1 0 346.408 3.062 20 30 EGEDRM CCCOc1ccc(Br)cc1C=NN[C@@H](CC)C(=O)[O-] ZINC000793070593 1309291096 /nfs/dbraw/zinc/29/10/96/1309291096.db2.gz CRKDKXWMESSOPJ-LBPRGKRZSA-N -1 0 343.221 3.025 20 30 EGEDRM CCC[C@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)CC1(C#N)CC1 ZINC000793200688 1309316326 /nfs/dbraw/zinc/31/63/26/1309316326.db2.gz DACZXYYJLNFCHL-OAHLLOKOSA-N -1 0 340.489 3.123 20 30 EGEDRM C=CCCCC(=O)[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000793360766 1309353282 /nfs/dbraw/zinc/35/32/82/1309353282.db2.gz LCNVIYDKNWTGLI-UHFFFAOYSA-N -1 0 336.240 3.463 20 30 EGEDRM CC(=NNc1ccc(C(=O)[O-])cc1)c1ccc(Br)cn1 ZINC000794446701 1309528999 /nfs/dbraw/zinc/52/89/99/1309528999.db2.gz CHDHIJXLRBTLNX-UHFFFAOYSA-N -1 0 334.173 3.378 20 30 EGEDRM COC(=O)C[C@@H]1CCC(N=Nc2ccc(Cl)c(C(=O)[O-])c2)[C@H]1C ZINC000794453092 1309529615 /nfs/dbraw/zinc/52/96/15/1309529615.db2.gz JJFPWTLCKMUZRF-UWVGGRQHSA-N -1 0 338.791 3.415 20 30 EGEDRM O=C([O-])c1cc(NN=Cc2c(F)ccc(O)c2F)ccc1Cl ZINC000794453895 1309530301 /nfs/dbraw/zinc/53/03/01/1309530301.db2.gz YANQEJGJMXSIGL-UHFFFAOYSA-N -1 0 326.686 3.468 20 30 EGEDRM C[C@H](Oc1ccc(/C=C2/Oc3cc(F)ccc3C2=O)cc1)C(=O)[O-] ZINC000794712773 1309580060 /nfs/dbraw/zinc/58/00/60/1309580060.db2.gz KYAWYBSSEBZVCY-MDKXCRPYSA-N -1 0 328.295 3.294 20 30 EGEDRM COc1ccc(C(=O)/C=C\c2c(F)ccc(O)c2F)cc1CC(=O)[O-] ZINC000794936458 1309625610 /nfs/dbraw/zinc/62/56/10/1309625610.db2.gz AKZFEMBSMVYSMA-HYXAFXHYSA-N -1 0 348.301 3.202 20 30 EGEDRM C=C(C)CCc1noc(-c2ccc3c(c2)[n-]c(=S)n(CC)c3=O)n1 ZINC000795766413 1309830946 /nfs/dbraw/zinc/83/09/46/1309830946.db2.gz GGEFBMBZDNXIDN-UHFFFAOYSA-N -1 0 342.424 3.264 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)NCC1(c2cccs2)CCCCC1 ZINC000797727134 1310237985 /nfs/dbraw/zinc/23/79/85/1310237985.db2.gz PGAAHZMTRLGSEQ-UHFFFAOYSA-N -1 0 336.457 3.232 20 30 EGEDRM CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)c2ccoc2CC)C1=O ZINC000797761668 1310242739 /nfs/dbraw/zinc/24/27/39/1310242739.db2.gz NSYYCYFVNSUXQR-GOSISDBHSA-N -1 0 349.431 3.158 20 30 EGEDRM Cc1cc(C)c(C(=O)/C=C/c2cccc(OCC(=O)[O-])c2)c(O)c1 ZINC000799896906 1310635666 /nfs/dbraw/zinc/63/56/66/1310635666.db2.gz ZZBOLXKPDXIYLK-VOTSOKGWSA-N -1 0 326.348 3.369 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cc(Br)co1 ZINC000838788200 1320816096 /nfs/dbraw/zinc/81/60/96/1320816096.db2.gz SWPKALUIDJFRFC-LLVKDONJSA-N -1 0 341.205 3.061 20 30 EGEDRM CCCc1nc(C([O-])=C(C#N)C(=O)Nc2ccc(CC)cc2)co1 ZINC000802043112 1316975429 /nfs/dbraw/zinc/97/54/29/1316975429.db2.gz QNNJVNAPUJNCLL-CQSZACIVSA-N -1 0 325.368 3.151 20 30 EGEDRM O=C([O-])COc1cccc(C(=O)/C=C/c2cnn(CC3CCC3)c2)c1 ZINC000899340689 1316996171 /nfs/dbraw/zinc/99/61/71/1316996171.db2.gz JFZLZIPPJSVYAI-BQYQJAHWSA-N -1 0 340.379 3.043 20 30 EGEDRM N#Cc1ccc(-n2[n-]c(C3CCOCC3)cc2=O)c(C(F)(F)F)c1 ZINC000899352317 1316999591 /nfs/dbraw/zinc/99/95/91/1316999591.db2.gz FMSUDJLITCSPMK-UHFFFAOYSA-N -1 0 337.301 3.096 20 30 EGEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N\Cc2nccc(C(F)F)n2)c1[O-] ZINC000806552804 1317499893 /nfs/dbraw/zinc/49/98/93/1317499893.db2.gz ZBFVRFVUQDTDHK-ZWSORDCHSA-N -1 0 342.689 3.301 20 30 EGEDRM COc1cc(/C=C\C(=O)c2cccc(C(=O)[O-])c2)ccc1OCC#N ZINC000806559062 1317500274 /nfs/dbraw/zinc/50/02/74/1317500274.db2.gz SYKUSOWFDGWIGF-ALCCZGGFSA-N -1 0 337.331 3.192 20 30 EGEDRM C[C@H](Oc1cccc(/C=C2\Cc3nc(Cl)ccc3C2=O)c1)C(=O)[O-] ZINC000806577493 1317506369 /nfs/dbraw/zinc/50/63/69/1317506369.db2.gz SHWPBOXLDPVNOM-QVIVLVACSA-N -1 0 343.766 3.409 20 30 EGEDRM CC(=NNc1ccc(C(=O)[O-])cc1)c1cc2c(C)nn(C)c2s1 ZINC000807938328 1317602287 /nfs/dbraw/zinc/60/22/87/1317602287.db2.gz BJAGVUIXKIBSLO-UHFFFAOYSA-N -1 0 328.397 3.478 20 30 EGEDRM CC[C@H](C)Oc1cccc(S(=O)(=O)[N-]c2cc(C#N)cc(C)n2)c1 ZINC000903141143 1317662411 /nfs/dbraw/zinc/66/24/11/1317662411.db2.gz NGMLXKCJZZPGQG-ZDUSSCGKSA-N -1 0 345.424 3.240 20 30 EGEDRM Cc1nc(C)c(S(=O)(=O)[N-]c2sc(C)c(C)c2C#N)s1 ZINC000903168247 1317667437 /nfs/dbraw/zinc/66/74/37/1317667437.db2.gz GSJVOMYZVHVBEW-UHFFFAOYSA-N -1 0 327.456 3.111 20 30 EGEDRM CO[C@@H](CS(=O)(=O)[N-]c1sc(C)cc1C#N)c1ccccc1 ZINC000903169236 1317667651 /nfs/dbraw/zinc/66/76/51/1317667651.db2.gz CYUOOIBPGOPZHU-AWEZNQCLSA-N -1 0 336.438 3.058 20 30 EGEDRM CCCCCCCS(=O)(=O)N(C)c1cccc(CC(=O)[O-])c1 ZINC000903547020 1317706809 /nfs/dbraw/zinc/70/68/09/1317706809.db2.gz INXKNDDQMXKMLI-UHFFFAOYSA-N -1 0 327.446 3.050 20 30 EGEDRM CCCCCCCCCCC(=O)[N-]S(=O)(=O)c1cn(C)nc1C ZINC000809031944 1317760255 /nfs/dbraw/zinc/76/02/55/1317760255.db2.gz OECRABQUVZHOEW-UHFFFAOYSA-N -1 0 343.493 3.064 20 30 EGEDRM O=C1OCc2c1cccc2N=Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000809144234 1317774342 /nfs/dbraw/zinc/77/43/42/1317774342.db2.gz HTWOUXUPVRAIBT-UHFFFAOYSA-N -1 0 332.699 3.375 20 30 EGEDRM O=C([O-])c1cc(/C=C/C(=O)c2cnn(-c3ccccc3)c2)ccc1O ZINC000809153721 1317775862 /nfs/dbraw/zinc/77/58/62/1317775862.db2.gz CNTOHCUDIWURNZ-SOFGYWHQSA-N -1 0 334.331 3.172 20 30 EGEDRM CN(C)c1cc(F)ccc1C(=O)/C=C/c1ccc(O)c(C(=O)[O-])c1 ZINC000809158761 1317776676 /nfs/dbraw/zinc/77/66/76/1317776676.db2.gz WFYDQZRUIRZAGL-XVNBXDOJSA-N -1 0 329.327 3.192 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc2c(c1)CCCCC2=O ZINC000810527793 1318018253 /nfs/dbraw/zinc/01/82/53/1318018253.db2.gz NYTYDFJCPLMFNH-KRWDZBQOSA-N -1 0 340.423 3.225 20 30 EGEDRM CO[C@H](CS(=O)(=O)[N-]c1scc(C)c1C#N)c1ccccc1 ZINC000906073508 1318033809 /nfs/dbraw/zinc/03/38/09/1318033809.db2.gz OJXASSGKZVDCLS-CQSZACIVSA-N -1 0 336.438 3.058 20 30 EGEDRM O=C([O-])c1ccc(/C=C\C(=O)c2ccc(Br)nc2)cc1 ZINC000811695655 1318229901 /nfs/dbraw/zinc/22/99/01/1318229901.db2.gz BWLATTHHZYGWLA-CLTKARDFSA-N -1 0 332.153 3.438 20 30 EGEDRM C=CCC(C)(C)C(=O)N1CCC(c2nc(C)c(C(=O)[O-])s2)CC1 ZINC000910355314 1318613055 /nfs/dbraw/zinc/61/30/55/1318613055.db2.gz RBHVRBSWYINMNL-UHFFFAOYSA-N -1 0 336.457 3.458 20 30 EGEDRM COCc1ccccc1C=C(C)C=CC([O-])=C1C(=O)C=C(C)OC1=O ZINC000814187742 1318693007 /nfs/dbraw/zinc/69/30/07/1318693007.db2.gz RHZJEWXQWRVMAV-DTZIASKFSA-N -1 0 340.375 3.008 20 30 EGEDRM C[C@H]1C(=NNC(=S)NCc2ccccc2)CC[C@@H](C(=O)[O-])C1(C)C ZINC000814715006 1318802757 /nfs/dbraw/zinc/80/27/57/1318802757.db2.gz WUQMRTABRFELLS-JSGCOSHPSA-N -1 0 347.484 3.164 20 30 EGEDRM COc1ccccc1NC(=S)NN=C(C)c1csc(C(=O)[O-])c1 ZINC000814715662 1318802827 /nfs/dbraw/zinc/80/28/27/1318802827.db2.gz FYYNOPXGGGHQSR-UHFFFAOYSA-N -1 0 349.437 3.166 20 30 EGEDRM Cc1ccc(NC(=S)NN=C2CC[C@H](C(=O)[O-])[C@H](C)C2)cc1C ZINC000814713552 1318803062 /nfs/dbraw/zinc/80/30/62/1318803062.db2.gz QZAZTIVGYHRWRW-DOMZBBRYSA-N -1 0 333.457 3.467 20 30 EGEDRM CCOc1ccc(NC(=S)NN=C2CC[C@H](C(=O)[O-])[C@H](C)C2)cc1 ZINC000814718048 1318804829 /nfs/dbraw/zinc/80/48/29/1318804829.db2.gz ZPECMGWFLKVNQY-ABAIWWIYSA-N -1 0 349.456 3.249 20 30 EGEDRM CC(CC1(C(=O)[O-])CCC1)=NNC(=S)N[C@@H]1CCCC[C@H]1C ZINC000814731203 1318807363 /nfs/dbraw/zinc/80/73/63/1318807363.db2.gz YFCMHWDCEBJAOP-DGCLKSJQSA-N -1 0 325.478 3.050 20 30 EGEDRM C[C@@H]1C(=NNC(=S)N[C@H]2CCC[C@@H](C)[C@H]2C)CC[C@@H]1CC(=O)[O-] ZINC000814758408 1318811162 /nfs/dbraw/zinc/81/11/62/1318811162.db2.gz AJBSVAPKBKLUAE-RGDJUOJXSA-N -1 0 339.505 3.152 20 30 EGEDRM CC(C)(C)n1ncc2c1nc(N=NC1CC[C@@H]1C1CCC1)[n-]c2=O ZINC000814846309 1318829717 /nfs/dbraw/zinc/82/97/17/1318829717.db2.gz DKHPFAMVYIVKEX-LLVKDONJSA-N -1 0 328.420 3.265 20 30 EGEDRM O=C([O-])c1cccc(C=NNc2ccnc3ccccc32)c1Cl ZINC000814841236 1318829899 /nfs/dbraw/zinc/82/98/99/1318829899.db2.gz HZHNZGFDEJXGTO-UHFFFAOYSA-N -1 0 325.755 3.454 20 30 EGEDRM CC(=Nn1cc(Br)cn1)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C ZINC000814884334 1318838281 /nfs/dbraw/zinc/83/82/81/1318838281.db2.gz HRSBBAKTYFUVGM-KOLCDFICSA-N -1 0 328.210 3.007 20 30 EGEDRM COC(=O)c1cccc(N=NC(C)[C@@H]2C[C@H](CC(=O)[O-])C2(C)C)c1 ZINC000814901092 1318842283 /nfs/dbraw/zinc/84/22/83/1318842283.db2.gz YAKUPRPLDKXPBS-HIFRSBDPSA-N -1 0 332.400 3.398 20 30 EGEDRM COC(=O)c1cccc(NN=Cc2cc(C(=O)[O-])c(C)cc2C)c1 ZINC000814900758 1318842980 /nfs/dbraw/zinc/84/29/80/1318842980.db2.gz GZRSRDQFNZPUTM-UHFFFAOYSA-N -1 0 326.352 3.234 20 30 EGEDRM CC(CCc1ccc(OCC(=O)[O-])cc1)=NN[C@H]1CCOC(C)(C)C1 ZINC000814909701 1318845499 /nfs/dbraw/zinc/84/54/99/1318845499.db2.gz JVKJCTWBMQJUJD-INIZCTEOSA-N -1 0 348.443 3.006 20 30 EGEDRM CC(CC1(C(=O)[O-])CCC1)=NN[C@H](C)CCc1ccc2c(c1)OCO2 ZINC000814924206 1318850030 /nfs/dbraw/zinc/85/00/30/1318850030.db2.gz HYJBAWPMWCQIHE-CYBMUJFWSA-N -1 0 346.427 3.347 20 30 EGEDRM C[C@H](CCc1ccc2c(c1)OCO2)NN=C1CC[C@@H](CC(=O)[O-])[C@@H]1C ZINC000814924545 1318850335 /nfs/dbraw/zinc/85/03/35/1318850335.db2.gz RHNYPSUZUHMUOH-IPYPFGDCSA-N -1 0 346.427 3.203 20 30 EGEDRM C=CCc1cccc(C(C)C)c1NC(=O)C(=O)[N-]OCCC1CC1 ZINC000815792216 1319055059 /nfs/dbraw/zinc/05/50/59/1319055059.db2.gz TUDIPJIBVRADAZ-UHFFFAOYSA-N -1 0 330.428 3.325 20 30 EGEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1ncoc1C1CC1)c1ccccc1 ZINC000816038916 1319091891 /nfs/dbraw/zinc/09/18/91/1319091891.db2.gz KCEOZNYIEMYBLL-HUUCEWRRSA-N -1 0 337.379 3.142 20 30 EGEDRM CC(C)[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1cc(C#N)cs1 ZINC000816110888 1319103246 /nfs/dbraw/zinc/10/32/46/1319103246.db2.gz LFJPRNPNLGESNE-OAHLLOKOSA-N -1 0 348.449 3.077 20 30 EGEDRM COc1ccc(/C=C\C(=O)c2ccc(CC(=O)[O-])cc2)c(OC)c1 ZINC000915105774 1319423359 /nfs/dbraw/zinc/42/33/59/1319423359.db2.gz DKYBLEQFGVGJSR-NTMALXAHSA-N -1 0 326.348 3.227 20 30 EGEDRM Cc1cc(O)cc2c1C(=O)C(=N[N-]c1ncccc1C(F)(F)F)O2 ZINC000915960696 1319571382 /nfs/dbraw/zinc/57/13/82/1319571382.db2.gz PFIYQGKZUAHPDJ-UHFFFAOYSA-N -1 0 337.257 3.115 20 30 EGEDRM O=[N+]([O-])c1cc(C=NNCc2ccc(C(F)(F)F)cc2)ccc1[O-] ZINC000915971902 1319575018 /nfs/dbraw/zinc/57/50/18/1319575018.db2.gz FNBHSEBWNOVOIW-UHFFFAOYSA-N -1 0 339.273 3.443 20 30 EGEDRM O=C([O-])Cc1ccc(C(=O)/C=C/c2cnn(-c3ccccc3)c2)cc1 ZINC000915988216 1319579609 /nfs/dbraw/zinc/57/96/09/1319579609.db2.gz SKKZUAONZIJNQS-DHZHZOJOSA-N -1 0 332.359 3.396 20 30 EGEDRM C#CCOc1ccc(C=NNc2cccc(C(=O)[O-])c2)cc1OCC ZINC000916255164 1319626001 /nfs/dbraw/zinc/62/60/01/1319626001.db2.gz GUGUVQYYTMCODX-UHFFFAOYSA-N -1 0 338.363 3.242 20 30 EGEDRM COc1cccc(C=NNc2cccc(C(=O)[O-])c2)c1OC(F)F ZINC000916255420 1319626819 /nfs/dbraw/zinc/62/68/19/1319626819.db2.gz ZSZCTTVICCDUSJ-UHFFFAOYSA-N -1 0 336.294 3.441 20 30 EGEDRM Cc1oc(-c2ccccc2)nc1C([O-])=C(C#N)C(=O)NC1CCCC1 ZINC000917040988 1319743357 /nfs/dbraw/zinc/74/33/57/1319743357.db2.gz CXZHJKIVYLNLPT-HNNXBMFYSA-N -1 0 337.379 3.031 20 30 EGEDRM Cc1oc(-c2cccs2)nc1C([O-])=C(C#N)C(=O)NC1CCCC1 ZINC000917044528 1319743428 /nfs/dbraw/zinc/74/34/28/1319743428.db2.gz JEUOJRNBGNFPLR-GFCCVEGCSA-N -1 0 343.408 3.093 20 30 EGEDRM CCOC(=O)c1c(C)[nH]c(C)c1C(=O)C(C#N)=C([O-])c1ccccc1 ZINC000917507088 1319823558 /nfs/dbraw/zinc/82/35/58/1319823558.db2.gz NZLNNZUAZLXSFU-AWEZNQCLSA-N -1 0 338.363 3.014 20 30 EGEDRM COc1ccc(C(=O)/C=C2/COc3ccc(F)cc32)cc1CC(=O)[O-] ZINC000918155274 1319924473 /nfs/dbraw/zinc/92/44/73/1319924473.db2.gz FZLBVGKCTBOSFY-QPEQYQDCSA-N -1 0 342.322 3.120 20 30 EGEDRM CC[C@](C)(C#N)C(=O)Nc1cc(C)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC000836951944 1320557805 /nfs/dbraw/zinc/55/78/05/1320557805.db2.gz AZEJXHJQYLSRKZ-OAHLLOKOSA-N -1 0 341.333 3.052 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2c(C)cccc2Cl)n1 ZINC000837768043 1320682467 /nfs/dbraw/zinc/68/24/67/1320682467.db2.gz IPGZPORPPBJAST-NSHDSACASA-N -1 0 348.811 3.447 20 30 EGEDRM C#CCCCNC(=O)C[C@@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000840726216 1321136122 /nfs/dbraw/zinc/13/61/22/1321136122.db2.gz LUICCTRSVQFJED-MRXNPFEDSA-N -1 0 342.222 3.255 20 30 EGEDRM C#CCCCS(=O)(=O)[N-]c1cc(-c2ccc(Cl)s2)on1 ZINC000840948554 1321183790 /nfs/dbraw/zinc/18/37/90/1321183790.db2.gz VLEXWACFYVSYOF-UHFFFAOYSA-N -1 0 330.818 3.212 20 30 EGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)C[C@H](C)c1cnn(C)c1 ZINC000842281345 1321367135 /nfs/dbraw/zinc/36/71/35/1321367135.db2.gz IEXKNPDVZWLXOW-BLLLJJGKSA-N -1 0 348.406 3.295 20 30 EGEDRM CCOCCON=Cc1cccc(O[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000842529652 1321399088 /nfs/dbraw/zinc/39/90/88/1321399088.db2.gz GGZVMYZTJWPUJX-SFHVURJKSA-N -1 0 343.379 3.278 20 30 EGEDRM CC1(C)Cc2cc(C([O-])=C(C#N)C(=O)NCc3ccccc3)ccc2O1 ZINC000842685233 1321418730 /nfs/dbraw/zinc/41/87/30/1321418730.db2.gz SYVNHNQGBCVXHT-QGZVFWFLSA-N -1 0 348.402 3.039 20 30 EGEDRM Cc1cc(C(=O)[N-]S(=O)(=O)CCCC#N)sc1-c1ccccc1 ZINC000847675181 1321891207 /nfs/dbraw/zinc/89/12/07/1321891207.db2.gz PONSQNWKOXMWGG-UHFFFAOYSA-N -1 0 348.449 3.087 20 30 EGEDRM CCOC(=O)[C@H]1CCC(N=Nc2ccc(CC(=O)[O-])cc2)[C@H](C)C1 ZINC000848415346 1321958516 /nfs/dbraw/zinc/95/85/16/1321958516.db2.gz ZSISHMVYBUDJOB-OCCSQVGLSA-N -1 0 332.400 3.081 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2cc(C)c(C)s2)n1 ZINC000919236586 1322043399 /nfs/dbraw/zinc/04/33/99/1322043399.db2.gz AGFLYAZDSQKVDR-NSHDSACASA-N -1 0 334.422 3.163 20 30 EGEDRM C=CCC[C@@H](NC(=O)c1cccc(SC(F)(F)F)c1)C(=O)[O-] ZINC000849184539 1322095873 /nfs/dbraw/zinc/09/58/73/1322095873.db2.gz RFWAWRGBVQYHRQ-LLVKDONJSA-N -1 0 333.331 3.448 20 30 EGEDRM C=CCc1cccc(C(C)C)c1NC(=O)C(=O)[N-]OCC1CCC1 ZINC000850718937 1322279369 /nfs/dbraw/zinc/27/93/69/1322279369.db2.gz DDNRJLOLVNRFMR-UHFFFAOYSA-N -1 0 330.428 3.325 20 30 EGEDRM CC(C)c1cccc(S(=O)(=O)[N-]C(=O)CC2(C#N)CCCCC2)c1 ZINC000850907267 1322308897 /nfs/dbraw/zinc/30/88/97/1322308897.db2.gz XMAVYHCLJANURK-UHFFFAOYSA-N -1 0 348.468 3.479 20 30 EGEDRM Cc1cccc(C)c1CS(=O)(=O)[N-]C(=O)CC1(C#N)CCCCC1 ZINC000851052925 1322328076 /nfs/dbraw/zinc/32/80/76/1322328076.db2.gz FJGRMSZFGQAKEL-UHFFFAOYSA-N -1 0 348.468 3.114 20 30 EGEDRM C[C@H](C#N)N(Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-])C1CC1 ZINC000853547150 1325120207 /nfs/dbraw/zinc/12/02/07/1325120207.db2.gz RJEWZTJNBRRVQM-CYBMUJFWSA-N -1 0 336.391 3.205 20 30 EGEDRM C=CCCO[N-]C(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000856031504 1325440761 /nfs/dbraw/zinc/44/07/61/1325440761.db2.gz RNOUHZDLZXBPPL-MRXNPFEDSA-N -1 0 342.361 3.065 20 30 EGEDRM CC1(C)[C@@]2(C)CC[C@]1(C([O-])=C(C#N)c1nc(C3CC3)cs1)OC2=O ZINC000860844560 1329361736 /nfs/dbraw/zinc/36/17/36/1329361736.db2.gz NLAUOYCVPCZMMU-FJNPEDAXSA-N -1 0 344.436 3.319 20 30 EGEDRM CCCCCCCC(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000861012573 1329378233 /nfs/dbraw/zinc/37/82/33/1329378233.db2.gz BYUJBQFAOUWLTL-UHFFFAOYSA-N -1 0 340.420 3.004 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2cccc(OC(C)(C)C)c2)C(=O)O1 ZINC000865214205 1329676378 /nfs/dbraw/zinc/67/63/78/1329676378.db2.gz OZKSPOSBRBIBLE-IJDCCNJMSA-N -1 0 328.364 3.092 20 30 EGEDRM C=CCC[C@@H](NC(=O)Cc1cc(=O)n(CC(C)C)[n-]1)c1ccccc1 ZINC000934996494 1330022270 /nfs/dbraw/zinc/02/22/70/1330022270.db2.gz MNUYKNJNPBBHNG-GOSISDBHSA-N -1 0 341.455 3.199 20 30 EGEDRM COC(=O)c1cc(F)c(NC(=O)CCC(=O)C2=CC=C[CH]2)c(C)c1F ZINC001184244360 1387418513 /nfs/dbraw/zinc/41/85/13/1387418513.db2.gz PWTMWICUCKAYSP-UHFFFAOYSA-N -1 0 348.325 3.048 20 30 EGEDRM O=C(CCC(=O)N1CCn2cccc2[C@H]1c1ccccc1)C1=CC=C[CH]1 ZINC001184241196 1387418619 /nfs/dbraw/zinc/41/86/19/1387418619.db2.gz MUCYHCGJEINJGZ-JOCHJYFZSA-N -1 0 345.422 3.469 20 30 EGEDRM N#Cc1c(F)cc(F)cc1[N-]S(=O)(=O)Cc1cc(F)cc(F)c1 ZINC001185137859 1387625277 /nfs/dbraw/zinc/62/52/77/1387625277.db2.gz NTZDAHWIAKMYRQ-UHFFFAOYSA-N -1 0 344.289 3.057 20 30 EGEDRM Cc1c(F)cccc1S(=O)(=O)[N-]c1sc2c(c1C#N)CCC2 ZINC001185795091 1387802073 /nfs/dbraw/zinc/80/20/73/1387802073.db2.gz GIXTXPNDJLFSKJ-UHFFFAOYSA-N -1 0 336.413 3.357 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccc(F)c3ccccc32)c(O)c1 ZINC001189387918 1367008325 /nfs/dbraw/zinc/00/83/25/1367008325.db2.gz DDOQWKWEKBBONS-UHFFFAOYSA-N -1 0 342.351 3.357 20 30 EGEDRM Cc1cc(C#N)c([N-]S(=O)(=O)Cc2cccc(F)c2F)cc1F ZINC001189463337 1367029569 /nfs/dbraw/zinc/02/95/69/1367029569.db2.gz HXTGSAYWUDJEQP-UHFFFAOYSA-N -1 0 340.326 3.226 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cnc3cccc(F)c3c2)c1 ZINC001190619446 1367310135 /nfs/dbraw/zinc/31/01/35/1367310135.db2.gz MPFYXIAHUAFJIR-UHFFFAOYSA-N -1 0 345.330 3.185 20 30 EGEDRM Cc1cc(F)c(F)cc1[N-]S(=O)(=O)c1cc(C#N)ccc1F ZINC001190647940 1367315337 /nfs/dbraw/zinc/31/53/37/1367315337.db2.gz NJRJRMSPVNDUMT-UHFFFAOYSA-N -1 0 326.299 3.085 20 30 EGEDRM CC(C)Oc1ccccc1[N-]S(=O)(=O)c1cc(C#N)ccc1F ZINC001190647853 1367315357 /nfs/dbraw/zinc/31/53/57/1367315357.db2.gz KVGFJTXVSAPNJK-UHFFFAOYSA-N -1 0 334.372 3.285 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cc(Cl)cc(C#N)c2)c1 ZINC001190651006 1367316679 /nfs/dbraw/zinc/31/66/79/1367316679.db2.gz RTWBSSFCDWDELI-UHFFFAOYSA-N -1 0 335.747 3.023 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2)C(F)(F)F)CC1 ZINC001190834367 1367363631 /nfs/dbraw/zinc/36/36/31/1367363631.db2.gz CTHINJWVNSHLEF-LBPRGKRZSA-N -1 0 337.338 3.457 20 30 EGEDRM N#Cc1cc(Cl)c(Cl)cc1[N-]S(=O)(=O)c1ccncc1 ZINC001190904286 1367379023 /nfs/dbraw/zinc/37/90/23/1367379023.db2.gz WJXOLCSZXYHIIS-UHFFFAOYSA-N -1 0 328.180 3.061 20 30 EGEDRM C#Cc1ccc([N-]S(=O)(=O)c2cccc3cc(C)cnc32)cc1F ZINC001191196426 1367444249 /nfs/dbraw/zinc/44/42/49/1367444249.db2.gz VSWQSKZLUVNWAL-UHFFFAOYSA-N -1 0 340.379 3.464 20 30 EGEDRM C[C@H](C#N)c1ccc([N-]S(=O)(=O)C(Cl)(Cl)Cl)cc1 ZINC001192035712 1367671520 /nfs/dbraw/zinc/67/15/20/1367671520.db2.gz XSBKPPYEIAAICU-SSDOTTSWSA-N -1 0 327.620 3.383 20 30 EGEDRM C=CC[C@H](NC(=O)Nc1cccc(COCc2ccco2)c1)C(=O)[O-] ZINC001325062709 1387893647 /nfs/dbraw/zinc/89/36/47/1387893647.db2.gz CQULEPGEKJOWTF-INIZCTEOSA-N -1 0 344.367 3.147 20 30 EGEDRM Cc1csc([N-]S(=O)(=O)c2cnc(Cl)c(C)c2)c1C#N ZINC001192519467 1367801608 /nfs/dbraw/zinc/80/16/08/1367801608.db2.gz GGCZHKWEOOHMFQ-UHFFFAOYSA-N -1 0 327.818 3.086 20 30 EGEDRM C=CC[C@H](NC(=O)c1ccc2c(c1)nc(C)n2-c1ccccc1)C(=O)[O-] ZINC001325144246 1387905109 /nfs/dbraw/zinc/90/51/09/1387905109.db2.gz DBICAPMRYCKFDO-INIZCTEOSA-N -1 0 349.390 3.093 20 30 EGEDRM C#CCOc1ccc([N-]S(=O)(=O)c2cc(CC)ccc2OC)cc1 ZINC001192821621 1367882495 /nfs/dbraw/zinc/88/24/95/1367882495.db2.gz RHDASGOVSSPJGA-UHFFFAOYSA-N -1 0 345.420 3.070 20 30 EGEDRM N#Cc1ccc(CNC(=O)c2cc(Cl)nc(Cl)c2[O-])cc1F ZINC001193101208 1367944379 /nfs/dbraw/zinc/94/43/79/1367944379.db2.gz SXMFBYVLLYIXCJ-UHFFFAOYSA-N -1 0 340.141 3.035 20 30 EGEDRM C[C@H](C#N)S(=O)(=O)[N-]c1c(C(F)(F)F)cccc1C(F)(F)F ZINC001193146995 1367954192 /nfs/dbraw/zinc/95/41/92/1367954192.db2.gz VPRPFCBAJOEODN-ZCFIWIBFSA-N -1 0 346.252 3.378 20 30 EGEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1cc(F)cc2c1-c1ccc(F)cc1C2 ZINC001193162197 1367957029 /nfs/dbraw/zinc/95/70/29/1367957029.db2.gz WFESKCLKVRZUDT-VIFPVBQESA-N -1 0 334.347 3.190 20 30 EGEDRM N#Cc1cccc(C(=O)NCCC(C(F)(F)F)C(F)(F)F)c1[O-] ZINC001193659899 1368086619 /nfs/dbraw/zinc/08/66/19/1368086619.db2.gz RRBPIVNTFPGUBF-UHFFFAOYSA-N -1 0 340.223 3.125 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2cc(F)cnc2C#N)c2ccccc12 ZINC001193834287 1368125409 /nfs/dbraw/zinc/12/54/09/1368125409.db2.gz NFFOGDXARNAYJZ-UHFFFAOYSA-N -1 0 341.367 3.355 20 30 EGEDRM COc1cccc(NC(=O)c2c(C)[n-]n(-c3ccccc3)c2=O)c1C#N ZINC001194270280 1368220724 /nfs/dbraw/zinc/22/07/24/1368220724.db2.gz LGXLKQLYTKDIHF-UHFFFAOYSA-N -1 0 348.362 3.019 20 30 EGEDRM C#Cc1ccc([N-]S(=O)(=O)c2ncccc2C(F)(F)F)cc1F ZINC001194576198 1368290209 /nfs/dbraw/zinc/29/02/09/1368290209.db2.gz IKUMNWHPZHMOTJ-UHFFFAOYSA-N -1 0 344.289 3.022 20 30 EGEDRM CCCCCCCCNS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195247780 1368407675 /nfs/dbraw/zinc/40/76/75/1368407675.db2.gz WFEHQQBNBJBRGP-UHFFFAOYSA-N -1 0 349.399 3.302 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cn2)c(Cl)c1 ZINC001196197173 1368565918 /nfs/dbraw/zinc/56/59/18/1368565918.db2.gz HSUZPJPLRUDCTK-UHFFFAOYSA-N -1 0 328.180 3.061 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)nc2)c(F)c1 ZINC001196353249 1368595522 /nfs/dbraw/zinc/59/55/22/1368595522.db2.gz GZBXQOXZHGSZKI-UHFFFAOYSA-N -1 0 333.388 3.131 20 30 EGEDRM N#Cc1ccc2c(c1)CCN(C(=O)c1cc(Cl)c(F)cc1[O-])C2 ZINC001196458696 1368620055 /nfs/dbraw/zinc/62/00/55/1368620055.db2.gz JFMOQDNOUBFAMZ-UHFFFAOYSA-N -1 0 330.746 3.255 20 30 EGEDRM Cc1cc(C)c(O)c([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)c1 ZINC001196680088 1368661055 /nfs/dbraw/zinc/66/10/55/1368661055.db2.gz XNENTWUFYSKNRS-UHFFFAOYSA-N -1 0 336.800 3.335 20 30 EGEDRM N#Cc1nc(Cl)ccc1NC(=S)Nc1ccc(C(=O)[O-])cc1 ZINC001197075144 1368740405 /nfs/dbraw/zinc/74/04/05/1368740405.db2.gz HSZVZPZEVJGAIT-UHFFFAOYSA-N -1 0 332.772 3.114 20 30 EGEDRM N#CCN(Cc1ccccc1)C(=S)Nc1ccc(C(=O)[O-])cc1 ZINC001197096814 1368743712 /nfs/dbraw/zinc/74/37/12/1368743712.db2.gz MDGTUUOKHJJKKY-UHFFFAOYSA-N -1 0 325.393 3.107 20 30 EGEDRM CN(Cc1ccc(C#N)cc1)C(=S)Nc1ccc(C(=O)[O-])cc1 ZINC001197095629 1368743973 /nfs/dbraw/zinc/74/39/73/1368743973.db2.gz JGBDIDIWSKVZFZ-UHFFFAOYSA-N -1 0 325.393 3.085 20 30 EGEDRM Cc1cc(C#N)cc(C#N)c1NC(=S)Nc1ccc(C(=O)[O-])cc1 ZINC001197112165 1368746496 /nfs/dbraw/zinc/74/64/96/1368746496.db2.gz NTQAMNZIWGHJRF-UHFFFAOYSA-N -1 0 336.376 3.245 20 30 EGEDRM COc1cccc(C#N)c1NC(=S)Nc1ccc(C(=O)[O-])cc1 ZINC001197112981 1368747633 /nfs/dbraw/zinc/74/76/33/1368747633.db2.gz LPYZBLSFXGCZEL-UHFFFAOYSA-N -1 0 327.365 3.074 20 30 EGEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc2occc2c1 ZINC001198858725 1369132598 /nfs/dbraw/zinc/13/25/98/1369132598.db2.gz HCDNZNFTJCOVGT-UHFFFAOYSA-N -1 0 328.349 3.114 20 30 EGEDRM Cc1noc([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)c1C#N ZINC001200003806 1369301325 /nfs/dbraw/zinc/30/13/25/1369301325.db2.gz GYIXTHKPKQWFHR-UHFFFAOYSA-N -1 0 347.783 3.462 20 30 EGEDRM Cc1nc(C#N)ccc1[N-]S(=O)(=O)c1cc2c(s1)CCCC2 ZINC001187185154 1388066324 /nfs/dbraw/zinc/06/63/24/1388066324.db2.gz QPUPGYHAXFGVRP-UHFFFAOYSA-N -1 0 333.438 3.003 20 30 EGEDRM COc1cccc([N-]S(=O)(=O)c2cc3c(s2)CCCC3)c1C#N ZINC001187208984 1388072044 /nfs/dbraw/zinc/07/20/44/1388072044.db2.gz IELHNGCLFQJNFF-UHFFFAOYSA-N -1 0 348.449 3.308 20 30 EGEDRM COc1cc(F)c(-c2noc(CCC(=O)C3=CC=C[CH]3)n2)cc1F ZINC001204656449 1370538023 /nfs/dbraw/zinc/53/80/23/1370538023.db2.gz LKBBIAUJTISBHD-UHFFFAOYSA-N -1 0 331.298 3.226 20 30 EGEDRM CC(C)(C)C(=O)Nc1ccc(/C=N/O)nc1-c1csc(C(=O)[O-])c1 ZINC001206256719 1371005587 /nfs/dbraw/zinc/00/55/87/1371005587.db2.gz HWJAVEIRFUACIW-REZTVBANSA-N -1 0 347.396 3.301 20 30 EGEDRM N#Cc1ccccc1S(=O)(=O)[N-]C(=O)CCC1CCCCCC1 ZINC001118312806 1371162111 /nfs/dbraw/zinc/16/21/11/1371162111.db2.gz LCOGDMXTYBRSIT-UHFFFAOYSA-N -1 0 334.441 3.114 20 30 EGEDRM CC(CCc1ccc(OCC(=O)[O-])cc1)=NNCc1ccc(F)cc1 ZINC001326234535 1388130665 /nfs/dbraw/zinc/13/06/65/1388130665.db2.gz NKJIRGRJXIYOQM-UHFFFAOYSA-N -1 0 344.386 3.387 20 30 EGEDRM N#Cc1ccc(-c2ccc([N-]S(=O)(=O)c3nccs3)cc2)cc1 ZINC001187847171 1388176295 /nfs/dbraw/zinc/17/62/95/1388176295.db2.gz FBRORSDQBVKLBB-UHFFFAOYSA-N -1 0 341.417 3.483 20 30 EGEDRM C[Si](C)(C)C#Cc1ccc([N-]S(=O)(=O)c2nccs2)cc1 ZINC001187890745 1388184816 /nfs/dbraw/zinc/18/48/16/1388184816.db2.gz MDYIYPGGCMMJCT-UHFFFAOYSA-N -1 0 336.514 3.173 20 30 EGEDRM COC(=O)c1cc(C#N)cc(Nc2cc(C(=O)[O-])cc(F)c2C)c1 ZINC001210007298 1372253509 /nfs/dbraw/zinc/25/35/09/1372253509.db2.gz KRKIZUQMRNEUII-UHFFFAOYSA-N -1 0 328.299 3.234 20 30 EGEDRM C=C(C)Cn1c(-c2c[nH]oc2=O)nnc1N(Cc1ccco1)C(C)C ZINC001122586820 1372278859 /nfs/dbraw/zinc/27/88/59/1372278859.db2.gz JPOSACMHGAYPFF-UHFFFAOYSA-N -1 0 343.387 3.223 20 30 EGEDRM N#Cc1ncccc1Nc1cccc2cc(S(=O)(=O)[O-])ccc21 ZINC001210146929 1372281595 /nfs/dbraw/zinc/28/15/95/1372281595.db2.gz JLWZQODFBOXDHM-UHFFFAOYSA-N -1 0 325.349 3.097 20 30 EGEDRM Cc1cc(Nc2ccc3ccccc3c2S(=O)(=O)[O-])cnc1C#N ZINC001210207521 1372294068 /nfs/dbraw/zinc/29/40/68/1372294068.db2.gz FNXIIKDWXQZMMG-UHFFFAOYSA-N -1 0 339.376 3.405 20 30 EGEDRM CCCC[C@@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)C1CCC1 ZINC001210964177 1372462705 /nfs/dbraw/zinc/46/27/05/1372462705.db2.gz JIOWJVJAYFIOHZ-OAHLLOKOSA-N -1 0 342.411 3.474 20 30 EGEDRM COc1ccc(Nc2c(C)cc(C)cc2S(=O)(=O)[O-])c(C#N)c1 ZINC001212784467 1372771693 /nfs/dbraw/zinc/77/16/93/1372771693.db2.gz UBSMZFOWORPPQW-UHFFFAOYSA-N -1 0 332.381 3.174 20 30 EGEDRM N#Cc1ccc(-c2csc([N-]S(=O)(=O)C3CCC3)n2)s1 ZINC001188110920 1388243772 /nfs/dbraw/zinc/24/37/72/1388243772.db2.gz SPAVJYRMKNURLO-UHFFFAOYSA-N -1 0 325.440 3.037 20 30 EGEDRM Cc1nc(Nc2ccc(Cl)c(C(=O)[O-])c2F)c(C#N)cc1C#N ZINC001215695532 1373233272 /nfs/dbraw/zinc/23/32/72/1373233272.db2.gz QUHGBWRQMHYSJN-UHFFFAOYSA-N -1 0 330.706 3.368 20 30 EGEDRM N#Cc1c(Cl)cccc1[N-]c1nonc1-c1cn2ccncc2n1 ZINC001216127563 1373267866 /nfs/dbraw/zinc/26/78/66/1373267866.db2.gz WSYIZACRZCZHKG-UHFFFAOYSA-N -1 0 337.730 3.048 20 30 EGEDRM N#Cc1c(Cl)cccc1Nc1nc[n-]c(=O)c1Br ZINC001216127203 1373268009 /nfs/dbraw/zinc/26/80/09/1373268009.db2.gz OKJXTCVSQCIUCN-UHFFFAOYSA-N -1 0 325.553 3.213 20 30 EGEDRM COc1cc(F)c(-c2noc(-c3cccc(C#N)c3[O-])n2)cc1OC ZINC001216980204 1373374678 /nfs/dbraw/zinc/37/46/78/1373374678.db2.gz VCQOSQHRQVYKSW-UHFFFAOYSA-N -1 0 341.298 3.137 20 30 EGEDRM COc1c(F)cc(-c2noc(-c3ccc(C#N)cc3[O-])n2)cc1F ZINC001217038848 1373382041 /nfs/dbraw/zinc/38/20/41/1373382041.db2.gz IWOOMNYTHKLUIZ-UHFFFAOYSA-N -1 0 329.262 3.268 20 30 EGEDRM N#Cc1c(NC(=O)c2c([O-])ccc3ccccc32)sc2c1CC[NH2+]C2 ZINC001218555777 1373632439 /nfs/dbraw/zinc/63/24/39/1373632439.db2.gz KWSWVOLUUNNAAF-UHFFFAOYSA-N -1 0 349.415 3.377 20 30 EGEDRM N#Cc1cc(NC(=O)c2cccc(-c3ncccn3)c2)c([O-])cc1F ZINC001188421382 1388306363 /nfs/dbraw/zinc/30/63/63/1388306363.db2.gz AMLJWEMBWTWVCX-UHFFFAOYSA-N -1 0 334.310 3.112 20 30 EGEDRM CC(C)(C)OC(=O)N1CC(O/C(=N\[O-])c2ccc(Cl)cc2)C1 ZINC001223595867 1375039918 /nfs/dbraw/zinc/03/99/18/1375039918.db2.gz IAHWMVHXWRQQQU-LGMDPLHJSA-N -1 0 326.780 3.112 20 30 EGEDRM C=CCOc1ccccc1[C@@H](C)Oc1[n-]c(=O)nc2ncsc21 ZINC001227610232 1375452871 /nfs/dbraw/zinc/45/28/71/1375452871.db2.gz JTGQWCWKKNAVPH-SNVBAGLBSA-N -1 0 329.381 3.497 20 30 EGEDRM C=CC[C@@H](CCC)Oc1c([O-])c(C(=O)OCC)oc1C(=O)OCC ZINC001227642224 1375458584 /nfs/dbraw/zinc/45/85/84/1375458584.db2.gz WYEQVXHRWOBKSZ-NSHDSACASA-N -1 0 340.372 3.462 20 30 EGEDRM COc1ccc(C(=O)c2ccc(OC)cc2O[C@H](C)CS)c([O-])c1 ZINC001228112060 1375518967 /nfs/dbraw/zinc/51/89/67/1375518967.db2.gz FLDQYSRRCXZTID-LLVKDONJSA-N -1 0 348.420 3.338 20 30 EGEDRM C=C[C@]1(C)CC[C@@H](Oc2nc(C3CC3)[n-]c(=O)c2[N+](=O)[O-])C(C)(C)O1 ZINC001228609781 1375615015 /nfs/dbraw/zinc/61/50/15/1375615015.db2.gz IMGOBJILQUTTNL-PIGZYNQJSA-N -1 0 349.387 3.249 20 30 EGEDRM CC[C@H](C)OC(=O)N1CCCC[C@@H]1CCOc1[n-]c(=O)ccc1C#N ZINC001228901980 1375710240 /nfs/dbraw/zinc/71/02/40/1375710240.db2.gz OMCYYCUQLXLPNF-DZGCQCFKSA-N -1 0 347.415 3.217 20 30 EGEDRM C[Si](C)(C)C#C[C@@H](Oc1[nH]c(=O)[n-]c(=O)c1F)c1ccccc1 ZINC001229120440 1375768365 /nfs/dbraw/zinc/76/83/65/1375768365.db2.gz SPBVCANALIVGOV-GFCCVEGCSA-N -1 0 332.407 3.028 20 30 EGEDRM N#Cc1ncc(O[C@@H](/C(=N\[O-])c2ccccc2)c2ccccc2)cn1 ZINC001233706778 1376700229 /nfs/dbraw/zinc/70/02/29/1376700229.db2.gz BXSLDYOWXSVNIO-UPHPNCSHSA-N -1 0 330.347 3.347 20 30 EGEDRM COc1ccc(OC[C@H](C)Oc2ccc(/C=N/O)cc2OC)cc1 ZINC001233801960 1376720412 /nfs/dbraw/zinc/72/04/12/1376720412.db2.gz FHHNWDDDUVTMGH-MDBUFAAASA-N -1 0 331.368 3.358 20 30 EGEDRM N#Cc1ccc(Oc2nc(-c3cncc(C(=O)[O-])c3)ncc2F)cc1 ZINC001241803736 1377020727 /nfs/dbraw/zinc/02/07/27/1377020727.db2.gz STHGCKJEYZINOI-UHFFFAOYSA-N -1 0 336.282 3.040 20 30 EGEDRM N#Cc1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2[O-])cc1 ZINC001251383809 1377085700 /nfs/dbraw/zinc/08/57/00/1377085700.db2.gz IMJXZXYPOGWFJQ-UHFFFAOYSA-N -1 0 343.191 3.371 20 30 EGEDRM Cc1sc([N-]S(=O)(=O)Cc2ccc(F)c(F)c2)c(C#N)c1C ZINC001189272532 1388504401 /nfs/dbraw/zinc/50/44/01/1388504401.db2.gz HSZJPIQFBPIPPF-UHFFFAOYSA-N -1 0 342.392 3.457 20 30 EGEDRM N#CCCN(Cc1cn(CC(=O)[O-])c2ccccc12)Cc1cccnc1 ZINC001138189160 1377688541 /nfs/dbraw/zinc/68/85/41/1377688541.db2.gz YKSJWQUEHXSWJX-UHFFFAOYSA-N -1 0 348.406 3.037 20 30 EGEDRM N#CCc1cccc(NC(=O)c2cc(=O)c3cc(Cl)ccc3[n-]2)c1 ZINC001153906596 1380153643 /nfs/dbraw/zinc/15/36/43/1380153643.db2.gz ZVMIBLFAOAIDPD-UHFFFAOYSA-N -1 0 337.766 3.500 20 30 EGEDRM Cc1c(=O)[n-]n(-c2ccccc2)c1Nc1ncnc2ccc(C#N)cc21 ZINC001163110086 1382967915 /nfs/dbraw/zinc/96/79/15/1382967915.db2.gz UYAVRAVBSSQDIJ-UHFFFAOYSA-N -1 0 342.362 3.445 20 30 EGEDRM Cc1cc(NC2([P@@](=O)([O-])O)Cc3ccccc3C2)ccc1CC#N ZINC001167936787 1383772026 /nfs/dbraw/zinc/77/20/26/1383772026.db2.gz NXOVIESXNMAPKD-UHFFFAOYSA-N -1 0 342.335 3.146 20 30 EGEDRM C[C@](C#N)(Nc1cccc(S(=O)(=O)[O-])c1)c1ccccc1Cl ZINC001169387887 1384142739 /nfs/dbraw/zinc/14/27/39/1384142739.db2.gz ASLDTYUHKNPFMR-OAHLLOKOSA-N -1 0 336.800 3.438 20 30 EGEDRM O=C1N[C@H](Nc2cc(/C=N/[O-])cc(C(F)(F)F)c2)c2ccccc21 ZINC001171130512 1384451441 /nfs/dbraw/zinc/45/14/41/1384451441.db2.gz WDJUESCEAJADOS-CSLHCHJMSA-N -1 0 335.285 3.368 20 30 EGEDRM COC(=O)c1cc(C#N)cc(Nc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC001175322424 1385252719 /nfs/dbraw/zinc/25/27/19/1385252719.db2.gz VJSNXIRTUOBFDU-UHFFFAOYSA-N -1 0 330.727 3.440 20 30 EGEDRM COC(=O)c1cc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)ccc1C#N ZINC001176590309 1385634119 /nfs/dbraw/zinc/63/41/19/1385634119.db2.gz NUUBTTPKDJDVQO-UHFFFAOYSA-N -1 0 336.347 3.205 20 30 EGEDRM CN1CCc2c(C#N)c(Nc3c(F)cc(F)c([O-])c3F)sc2C1 ZINC001176663650 1385650840 /nfs/dbraw/zinc/65/08/40/1385650840.db2.gz JXOHJGLWBACMGU-UHFFFAOYSA-N -1 0 339.342 3.474 20 30 EGEDRM N#Cc1c(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)sc2c1CCC2 ZINC001176671667 1385653615 /nfs/dbraw/zinc/65/36/15/1385653615.db2.gz BITCETBFDBBLSB-UHFFFAOYSA-N -1 0 329.337 3.458 20 30 EGEDRM N#Cc1ccc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c2cccnc12 ZINC001176679648 1385656849 /nfs/dbraw/zinc/65/68/49/1385656849.db2.gz NSUHQOXAUWGWCS-UHFFFAOYSA-N -1 0 334.291 3.456 20 30 EGEDRM C[C@@H](C#N)c1ccc(NC(=O)CSc2n[n-]c(=S)s2)cc1 ZINC001177344431 1385922401 /nfs/dbraw/zinc/92/24/01/1385922401.db2.gz YIQKTKQGOKCGNI-QMMMGPOBSA-N -1 0 336.467 3.185 20 30 EGEDRM N#Cc1cc(CC(=O)Nc2ccc3[n-]c(=S)sc3c2)ccn1 ZINC001177670503 1386019774 /nfs/dbraw/zinc/01/97/74/1386019774.db2.gz CYPJCVZNTNAKLD-UHFFFAOYSA-N -1 0 326.406 3.033 20 30 EGEDRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(OCC#N)cc2)c1 ZINC001319627954 1386217956 /nfs/dbraw/zinc/21/79/56/1386217956.db2.gz GLPQFESNFQQXGE-UHFFFAOYSA-N -1 0 336.800 3.352 20 30 EGEDRM C=CC[C@H](NC(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001321166189 1386828089 /nfs/dbraw/zinc/82/80/89/1386828089.db2.gz AYVDCILGJMOLEU-GWCFXTLKSA-N -1 0 329.318 3.345 20 30 EGEDRM C=CC[C@H](NC(=O)CSCc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC001321203553 1386839889 /nfs/dbraw/zinc/83/98/89/1386839889.db2.gz IOBAPARDGIZISZ-LBPRGKRZSA-N -1 0 348.251 3.372 20 30 EGEDRM N#Cc1cc(NC(=O)COc2ccc(Cl)cc2F)c([O-])cc1F ZINC001182492910 1387176439 /nfs/dbraw/zinc/17/64/39/1387176439.db2.gz KCQNTKZHLNQQMY-UHFFFAOYSA-N -1 0 338.697 3.213 20 30 EGEDRM N#CCc1cccc(S(=O)(=O)[N-]c2ccn(C3CCCCC3)n2)c1 ZINC001322447282 1387188207 /nfs/dbraw/zinc/18/82/07/1387188207.db2.gz ZMBMROIGXPZFFT-UHFFFAOYSA-N -1 0 344.440 3.255 20 30 EGEDRM C=CCC[C@@H]1CCCN1c1nnc(-c2ccc([N+](=O)[O-])c([O-])c2)n1C ZINC001341370718 1390477630 /nfs/dbraw/zinc/47/76/30/1390477630.db2.gz BSZSABXLFWWRHL-CYBMUJFWSA-N -1 0 343.387 3.031 20 30 EGEDRM CC(C)n1ccc(C([O-])=C(C#N)c2nccn2Cc2ccccc2)n1 ZINC001342165384 1390580343 /nfs/dbraw/zinc/58/03/43/1390580343.db2.gz LBMGFLXEKNPJFQ-MRXNPFEDSA-N -1 0 333.395 3.199 20 30 EGEDRM C=CC[C@@H](NC(=O)[C@H](C)Cc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC001344551794 1390799195 /nfs/dbraw/zinc/79/91/95/1390799195.db2.gz GEKGMTOCBXKTBD-NOZJJQNGSA-N -1 0 330.211 3.318 20 30 EGEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1cccc(C#N)c1C)c1ccccc1 ZINC001344799948 1390815653 /nfs/dbraw/zinc/81/56/53/1390815653.db2.gz WKHPQZUKPFEXOL-MOPGFXCFSA-N -1 0 345.402 3.457 20 30 EGEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1cccc(C#N)c1C)c1ccccc1 ZINC001344799949 1390815816 /nfs/dbraw/zinc/81/58/16/1390815816.db2.gz WKHPQZUKPFEXOL-OALUTQOASA-N -1 0 345.402 3.457 20 30 EGEDRM CC(C)c1nn(C)c(Cl)c1C([O-])=C(C#N)c1ncc(Cl)n1C ZINC001344862938 1390819965 /nfs/dbraw/zinc/81/99/65/1390819965.db2.gz BZVYVASWBYLVOM-MRVPVSSYSA-N -1 0 340.214 3.074 20 30 EGEDRM Cc1cc(Br)oc1C([O-])=C(C#N)c1ncc(Cl)n1C ZINC001349703332 1391355983 /nfs/dbraw/zinc/35/59/83/1391355983.db2.gz WNFCOIKGSFXDIA-SSDOTTSWSA-N -1 0 342.580 3.228 20 30 EGEDRM Cc1c(C(=O)C=Cc2cc(C)ccc2C)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737322228 1429434705 /nfs/dbraw/zinc/43/47/05/1429434705.db2.gz KMESENLRMDLMNU-HJWRWDBZSA-N -1 0 347.422 3.436 20 30 EGEDRM Cc1ccc(F)c(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000826288874 1429627394 /nfs/dbraw/zinc/62/73/94/1429627394.db2.gz AISDWOLFCFUFGL-UHFFFAOYSA-N -1 0 330.754 3.414 20 30 EGEDRM Brc1cccc(NN=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000823832516 1429743563 /nfs/dbraw/zinc/74/35/63/1429743563.db2.gz PRAAOZLDVYYCEE-UHFFFAOYSA-N -1 0 343.188 3.075 20 30 EGEDRM C=C[C@H](CC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823883251 1424945806 /nfs/dbraw/zinc/94/58/06/1424945806.db2.gz MHTAHPQILASKPW-LSDHHAIUSA-N -1 0 347.422 3.404 20 30 EGEDRM C[C@@H](Nc1nc2c(cc1C#N)CCCC2)c1ccc(-c2nn[n-]n2)cc1 ZINC000824663518 1425036326 /nfs/dbraw/zinc/03/63/26/1425036326.db2.gz ZZTWGZRGPZLRST-GFCCVEGCSA-N -1 0 345.410 3.185 20 30 EGEDRM CCCC[C@@H](CCC)Sc1nc(N)c(-c2nn[n-]n2)cc1C#N ZINC000736438531 1425084461 /nfs/dbraw/zinc/08/44/61/1425084461.db2.gz NTNXGXNCBLKVDW-LLVKDONJSA-N -1 0 331.449 3.167 20 30 EGEDRM COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1C ZINC000826190437 1426715927 /nfs/dbraw/zinc/71/59/27/1426715927.db2.gz BHWLJQRAXLIPHE-XVNBXDOJSA-N -1 0 338.342 3.219 20 30 EGEDRM COCc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000826164829 1427134843 /nfs/dbraw/zinc/13/48/43/1427134843.db2.gz SKZRHXXFBFSBLH-YVMONPNESA-N -1 0 338.342 3.048 20 30 EGEDRM C[C@H](NN=C1CCCc2cc(-c3nn[n-]n3)ccc21)c1ccccc1 ZINC000820438685 1427673357 /nfs/dbraw/zinc/67/33/57/1427673357.db2.gz USZDYZVREIJEAJ-ZDUSSCGKSA-N -1 0 332.411 3.258 20 30 EGEDRM C#CCOc1cc(F)ccc1N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000823855866 1427831753 /nfs/dbraw/zinc/83/17/53/1427831753.db2.gz CAXCJDLKOBGTFH-LBPRGKRZSA-N -1 0 337.358 3.191 20 30 EGEDRM CC(Cc1ccsc1)N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000824465434 1429968535 /nfs/dbraw/zinc/96/85/35/1429968535.db2.gz OXIWMCDACMWWEG-UHFFFAOYSA-N -1 0 333.808 3.007 20 30 EGEDRM CCn1c2ccccc2nc1C(C)N=Nc1ccc(-c2nn[n-]n2)cc1 ZINC000736719891 1441424845 /nfs/dbraw/zinc/42/48/45/1441424845.db2.gz DSQJEBBUPADFOQ-UHFFFAOYSA-N -1 0 346.398 3.072 20 30 EGEDRM CC(CC1CCOCC1)N=Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000824401299 1441844231 /nfs/dbraw/zinc/84/42/31/1441844231.db2.gz PSTPPWVWBNQFIS-UHFFFAOYSA-N -1 0 334.811 3.125 20 30 EGEDRM Oc1ccc2ccccc2c1C=NCc1ccc(-c2nn[n-]n2)cc1F ZINC000738400422 1441845366 /nfs/dbraw/zinc/84/53/66/1441845366.db2.gz GTHURACLQSIQPO-NHDPSOOVSA-N -1 0 347.353 3.484 20 30 EGEDRM FC(F)(F)c1ccc(C#CCNc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822723602 1442412415 /nfs/dbraw/zinc/41/24/15/1442412415.db2.gz HNBUHXIJHXCDGM-UHFFFAOYSA-N -1 0 343.312 3.349 20 30 EGEDRM C=CCC[C@@H](NC(=O)c1sccc1-c1nnn[n-]1)c1ccccc1 ZINC000819733989 1442447166 /nfs/dbraw/zinc/44/71/66/1442447166.db2.gz GOTWOMLSXHJEQQ-CQSZACIVSA-N -1 0 339.424 3.366 20 30 EGEDRM FC(F)(F)c1cccc(C=NNCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822728744 1442471770 /nfs/dbraw/zinc/47/17/70/1442471770.db2.gz LXTFOUMMZZJTIQ-UHFFFAOYSA-N -1 0 346.316 3.009 20 30 EGEDRM Cc1c(C(=O)C=Cc2c(C)cccc2C)c(-c2nn[n-]n2)c2n1CCC2 ZINC000826296910 1443239166 /nfs/dbraw/zinc/23/91/66/1443239166.db2.gz OGBAWXOGZCCVNL-KTKRTIGZSA-N -1 0 347.422 3.436 20 30 EGEDRM CCN(C)c1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821165549 1443524410 /nfs/dbraw/zinc/52/44/10/1443524410.db2.gz UVWKCZSTQSCISU-MLPAPPSSSA-N -1 0 333.395 3.219 20 30 EGEDRM FC(F)(F)c1ccccc1ON=Cc1ccccc1-c1nn[n-]n1 ZINC000826369312 1443660399 /nfs/dbraw/zinc/66/03/99/1443660399.db2.gz XGBSDPXWTAUKKU-UHFFFAOYSA-N -1 0 333.273 3.298 20 30 EGEDRM O=C1C(=Cc2ccc(-c3nn[n-]n3)s2)CSc2ccc(F)cc21 ZINC000823503743 1443933990 /nfs/dbraw/zinc/93/39/90/1443933990.db2.gz IGYQSHVOQJDCEV-VMPITWQZSA-N -1 0 344.396 3.439 20 30 EGEDRM O=C1c2ccccc2OCCC1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826475454 1446286532 /nfs/dbraw/zinc/28/65/32/1446286532.db2.gz GKEKQOPBHCRAKG-XFXZXTDPSA-N -1 0 336.326 3.055 20 30 EGEDRM C=CCCCN(C)C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000819740102 1446884299 /nfs/dbraw/zinc/88/42/99/1446884299.db2.gz OVSURRBSVBXEPS-UHFFFAOYSA-N -1 0 344.419 3.084 20 30 EGEDRM C=C[C@H](CC(=O)N(C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000823882717 1447277057 /nfs/dbraw/zinc/27/70/57/1447277057.db2.gz CAZKQNPTNYXJAR-CQSZACIVSA-N -1 0 333.395 3.189 20 30 EGEDRM C=C[C@@H](CC)CC(=O)N[C@@H](C(=O)[O-])c1ccc(OC)c(Cl)c1 ZINC000907673702 939300748 /nfs/dbraw/zinc/30/07/48/939300748.db2.gz QYGBHDGJCSVGPN-ZUZCIYMTSA-N -1 0 325.792 3.193 20 30 EGEDRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1ccccc1SCC#N ZINC000324365046 971112196 /nfs/dbraw/zinc/11/21/96/971112196.db2.gz JDIJXCIITMUQBO-UHFFFAOYSA-N -1 0 340.404 3.273 20 30 EGEDRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)Nc2ccc(CC#N)cc2)C1 ZINC000325259845 971198650 /nfs/dbraw/zinc/19/86/50/971198650.db2.gz JMEGRQTUEYYCHG-CQSZACIVSA-N -1 0 329.400 3.107 20 30 EGEDRM C=CCOc1ccc(C(=O)Nc2ccc(OC)cc2C(=O)[O-])cc1 ZINC000325422417 971214834 /nfs/dbraw/zinc/21/48/34/971214834.db2.gz XHJZBJLTPLMSGT-UHFFFAOYSA-N -1 0 327.336 3.211 20 30 EGEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001602722847 971390080 /nfs/dbraw/zinc/39/00/80/971390080.db2.gz UKLTXHSYINRUOD-UHFFFAOYSA-N -1 0 341.367 3.009 20 30 EGEDRM CC[C@]1(C(=O)[O-])CCCN(C(=O)c2cccc(SCC#N)c2)C1 ZINC001589605948 949267961 /nfs/dbraw/zinc/26/79/61/949267961.db2.gz WYQAVKQZRHEMEN-KRWDZBQOSA-N -1 0 332.425 3.019 20 30 EGEDRM C=C(C)COc1cccc(NC(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)c1 ZINC000263151129 950295940 /nfs/dbraw/zinc/29/59/40/950295940.db2.gz PLQNDRDNLRKLOC-UONOGXRCSA-N -1 0 332.400 3.216 20 30 EGEDRM CCOc1cc(C#N)cc(Cl)c1OC(=O)CCCCC(=O)[O-] ZINC001592009053 951290027 /nfs/dbraw/zinc/29/00/27/951290027.db2.gz FDHMVTVWLDHDQP-UHFFFAOYSA-N -1 0 325.748 3.161 20 30 EGEDRM C[C@@H]1CCc2sc(NC(=O)[C@@H](C(=O)[O-])C3CC3)c(C#N)c2[C@H]1C ZINC001589365799 954190906 /nfs/dbraw/zinc/19/09/06/954190906.db2.gz WMSOUMOWNSWHGW-ITMYJUKJSA-N -1 0 332.425 3.355 20 30 EGEDRM CCC(CC)(CNC(=O)NC1(c2ccc(C#N)cc2)CCC1)C(=O)[O-] ZINC001589489468 955010510 /nfs/dbraw/zinc/01/05/10/955010510.db2.gz NNTVOLRUIMMROF-UHFFFAOYSA-N -1 0 343.427 3.128 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 ZINC000819848194 955456040 /nfs/dbraw/zinc/45/60/40/955456040.db2.gz RAVQAMKSGZDNJJ-YLJYHZDGSA-N -1 0 347.374 3.285 20 30 EGEDRM C=CCCN(OCc1ccccc1)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000840992511 955575699 /nfs/dbraw/zinc/57/56/99/955575699.db2.gz QWWNXIXOPTWXDG-UHFFFAOYSA-N -1 0 346.427 3.349 20 30 EGEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)NC1(C(=O)[O-])CCCCCC1 ZINC001589079147 955839664 /nfs/dbraw/zinc/83/96/64/955839664.db2.gz LWDQUVIQRFDHON-CQSZACIVSA-N -1 0 328.412 3.031 20 30 EGEDRM C[C@H](NC(=O)C[C@H](CC#N)c1ccccc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589094670 955975455 /nfs/dbraw/zinc/97/54/55/955975455.db2.gz YSLDVWGMGUSRIT-QSPRXWTASA-N -1 0 342.439 3.326 20 30 EGEDRM N#Cc1ccc(C2(NC(=O)/C=C/c3ccc(C(=O)[O-])o3)CCC2)cc1 ZINC001594618583 956265339 /nfs/dbraw/zinc/26/53/39/956265339.db2.gz TVKMCFZHXGBFEU-VQHVLOKHSA-N -1 0 336.347 3.058 20 30 EGEDRM N#Cc1cccc(COc2ccc(NC(=O)CCCC(=O)[O-])cc2)c1 ZINC001594628410 956331513 /nfs/dbraw/zinc/33/15/13/956331513.db2.gz PZMOCCLZQWSFOZ-UHFFFAOYSA-N -1 0 338.363 3.331 20 30 EGEDRM N#Cc1ccccc1N(Cc1ccccc1)C(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC001594631442 956341512 /nfs/dbraw/zinc/34/15/12/956341512.db2.gz AVNQLWIQOFOMNG-DLBZAZTESA-N -1 0 334.375 3.202 20 30 EGEDRM CC1(C)CS/C(=N\Cc2ccccc2)N1C(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC001589234083 956840867 /nfs/dbraw/zinc/84/08/67/956840867.db2.gz OIEFBEHSVWCCBS-ORQRPPJRSA-N -1 0 346.452 3.007 20 30 EGEDRM C#C[C@@H](NC(=O)Nc1cccc(CCC(=O)[O-])c1)c1ccc(F)cc1 ZINC001588386574 957979879 /nfs/dbraw/zinc/97/98/79/957979879.db2.gz RSVSMSDTKXMZCJ-QGZVFWFLSA-N -1 0 340.354 3.339 20 30 EGEDRM C#C[C@@H](NC(=O)[C@@H](C(=O)[O-])C1CCCC1)c1ccc(Cl)cc1F ZINC001588388056 957991660 /nfs/dbraw/zinc/99/16/60/957991660.db2.gz PCBAQGUOEXKGRG-CABCVRRESA-N -1 0 337.778 3.161 20 30 EGEDRM Cc1cc(F)c(C#N)cc1NC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC001594310472 958007464 /nfs/dbraw/zinc/00/74/64/958007464.db2.gz FANCMEPRWIFYKS-ZDUSSCGKSA-N -1 0 333.363 3.257 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)N[C@H](CC1CCCCC1)c1ccccc1 ZINC001588409750 958131281 /nfs/dbraw/zinc/13/12/81/958131281.db2.gz JDLLJOZHTWPHAQ-GOSISDBHSA-N -1 0 342.439 3.428 20 30 EGEDRM Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H](C)C(=O)[O-] ZINC001594328188 958191319 /nfs/dbraw/zinc/19/13/19/958191319.db2.gz JOZOVHQFYGGCGK-CYBMUJFWSA-N -1 0 338.363 3.105 20 30 EGEDRM C=CCN(Cc1ccccc1F)C(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001588464282 958490366 /nfs/dbraw/zinc/49/03/66/958490366.db2.gz MQPFNRZSNFVJDK-FPLPWBNLSA-N -1 0 329.327 3.345 20 30 EGEDRM C=CCOc1ccc(CC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])cc1 ZINC001573337130 958521290 /nfs/dbraw/zinc/52/12/90/958521290.db2.gz KLHBVGYJSLCZHV-INIZCTEOSA-N -1 0 333.428 3.190 20 30 EGEDRM Cc1csc(NC(=O)N[C@H](C(=O)[O-])c2cccc(C)c2)c1C#N ZINC001594395280 958764798 /nfs/dbraw/zinc/76/47/98/958764798.db2.gz YUXCPSZMUFGTOK-ZDUSSCGKSA-N -1 0 329.381 3.184 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1nc2c(s1)c(Cl)ccc2F ZINC001588539987 958956623 /nfs/dbraw/zinc/95/66/23/958956623.db2.gz KACCNEQZEWRSBT-ZDUSSCGKSA-N -1 0 341.751 3.032 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NCc1ccc(-c2cccs2)cc1 ZINC001588558515 959087507 /nfs/dbraw/zinc/08/75/07/959087507.db2.gz XWEOOSJIWKWDHR-QGZVFWFLSA-N -1 0 328.393 3.036 20 30 EGEDRM Cc1c2cc(C#N)ccc2sc1C(=O)N[C@H]1CCC[C@H]1C(=O)[O-] ZINC001594258940 959674928 /nfs/dbraw/zinc/67/49/28/959674928.db2.gz USYCIGYBMHQIAA-YPMHNXCESA-N -1 0 328.393 3.065 20 30 EGEDRM CC(C)(C)CC[C@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)C(=O)[O-] ZINC001588648468 959748816 /nfs/dbraw/zinc/74/88/16/959748816.db2.gz NTJQHTLIMJKLRV-HNNXBMFYSA-N -1 0 328.412 3.251 20 30 EGEDRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2ccccc2-c2ccccc2C#N)C1 ZINC001573699976 959822124 /nfs/dbraw/zinc/82/21/24/959822124.db2.gz YGIKJEZVIUBEOL-GOEBONIOSA-N -1 0 348.402 3.408 20 30 EGEDRM Cc1cc(C(=O)[O-])cc(C(=O)Nc2cc(C)c(N(C)C)cc2C#N)c1 ZINC001574318111 960802906 /nfs/dbraw/zinc/80/29/06/960802906.db2.gz LXKYBASFRWMGRJ-UHFFFAOYSA-N -1 0 337.379 3.192 20 30 EGEDRM Cc1cc(OC(=O)c2ccc(OCC(=O)[O-])cc2)c(C)c(C)c1C#N ZINC001574343455 960954769 /nfs/dbraw/zinc/95/47/69/960954769.db2.gz XASKDGHCINQXNL-UHFFFAOYSA-N -1 0 339.347 3.166 20 30 EGEDRM CC(C)(C)c1ccc([C@H](C#N)NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)cc1 ZINC001588739558 961155266 /nfs/dbraw/zinc/15/52/66/961155266.db2.gz IQOIUZNYUMVEPU-GJZGRUSLSA-N -1 0 330.428 3.412 20 30 EGEDRM C[C@H](NC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1)c1cccc(C#N)c1 ZINC001353128238 962652369 /nfs/dbraw/zinc/65/23/69/962652369.db2.gz WCJCQZHHMOANKA-SCLBCKFNSA-N -1 0 349.390 3.013 20 30 EGEDRM C=C(C)C[C@H](NC(=O)c1csc(NC2CCCCC2)n1)C(=O)[O-] ZINC001573323894 962778093 /nfs/dbraw/zinc/77/80/93/962778093.db2.gz IZJZPTHTEQCWEC-LBPRGKRZSA-N -1 0 337.445 3.037 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N[C@H](C)c1ccc(F)cc1OC(F)F ZINC001573337764 962868396 /nfs/dbraw/zinc/86/83/96/962868396.db2.gz REUUKDVFMLURCW-SECBINFHSA-N -1 0 331.290 3.025 20 30 EGEDRM C=CC(C)(C)CCCNC(=O)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001573347311 962946896 /nfs/dbraw/zinc/94/68/96/962946896.db2.gz KLVAWBWOFOJJBF-FQEVSTJZSA-N -1 0 344.455 3.417 20 30 EGEDRM C=CCCC1(CNC(=O)c2ccc(OCC(=O)[O-])cc2)CCCC1 ZINC001573357802 963021794 /nfs/dbraw/zinc/02/17/94/963021794.db2.gz SVDCGAHVSBGHCN-UHFFFAOYSA-N -1 0 331.412 3.406 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1cc(OC)c(C(C)C)c(OC)c1)C(=O)[O-] ZINC001573366000 963057606 /nfs/dbraw/zinc/05/76/06/963057606.db2.gz JNNZQHPDGQJMED-AWEZNQCLSA-N -1 0 349.427 3.367 20 30 EGEDRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)Nc2cccc(CC#N)c2)C1 ZINC000313425219 963641794 /nfs/dbraw/zinc/64/17/94/963641794.db2.gz KAEBPRCPQYDBNR-AWEZNQCLSA-N -1 0 329.400 3.107 20 30 EGEDRM C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001592226002 977414870 /nfs/dbraw/zinc/41/48/70/977414870.db2.gz SBGBHWDWPBKXKM-RWMBFGLXSA-N -1 0 347.440 3.408 20 30 EGEDRM C[C@](CC(=O)[O-])(NCC1(C#N)CC1)c1ccc(Br)cc1 ZINC001592318673 977705512 /nfs/dbraw/zinc/70/55/12/977705512.db2.gz CLEATKXORUAITL-CQSZACIVSA-N -1 0 337.217 3.032 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1NN=Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000756900720 978701271 /nfs/dbraw/zinc/70/12/71/978701271.db2.gz AXVKLIODEKLJFZ-UHFFFAOYSA-N -1 0 329.312 3.056 20 30 EGEDRM O=C([O-])c1ccc(N=NCc2ccc(OC(F)F)c(Cl)c2)nc1 ZINC000763369524 978721933 /nfs/dbraw/zinc/72/19/33/978721933.db2.gz VPDNBIYCRVGKMI-UHFFFAOYSA-N -1 0 341.701 3.481 20 30 EGEDRM Cc1cccnc1CC(N=Nc1ccc(C(=O)[O-])cn1)C(F)(F)F ZINC000763371655 978722751 /nfs/dbraw/zinc/72/27/51/978722751.db2.gz GRFCIANXAFPJDF-UHFFFAOYSA-N -1 0 338.289 3.056 20 30 EGEDRM O=C([O-])c1ccc(N=NC2CCc3c2cccc3Br)nc1 ZINC000773205596 978744294 /nfs/dbraw/zinc/74/42/94/978744294.db2.gz AAWIAGRKYOQTLE-UHFFFAOYSA-N -1 0 346.184 3.305 20 30 EGEDRM COc1cc2c(cc1F)C/C(=C/c1ccc(OCC(=O)[O-])cc1)C2=O ZINC000798372058 978836139 /nfs/dbraw/zinc/83/61/39/978836139.db2.gz UPACBENFKMHFBG-MLPAPPSSSA-N -1 0 342.322 3.120 20 30 EGEDRM O=C([O-])c1ccc(N=NC2CCc3cc(Br)ccc32)nc1 ZINC000814890729 978896925 /nfs/dbraw/zinc/89/69/25/978896925.db2.gz WOIZLCZNJIRPBJ-UHFFFAOYSA-N -1 0 346.184 3.305 20 30 EGEDRM CC(C)(C)n1cc(/C=C2/CCCc3cc(C(=O)[O-])ccc3C2=O)nn1 ZINC000828234752 978977083 /nfs/dbraw/zinc/97/70/83/978977083.db2.gz ADHAFBVYCIMQNJ-RAXLEYEMSA-N -1 0 339.395 3.334 20 30 EGEDRM CC[C@H](CC(F)(F)F)C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001595038008 979206628 /nfs/dbraw/zinc/20/66/28/979206628.db2.gz BRSJBCJRDGCRNL-ZYHUDNBSSA-N -1 0 329.274 3.206 20 30 EGEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)OCc1cc(C(=O)[O-])cs1 ZINC001592833153 979568599 /nfs/dbraw/zinc/56/85/99/979568599.db2.gz CCOQOIXXVHROQU-NSHDSACASA-N -1 0 329.377 3.240 20 30 EGEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC001592833341 979570764 /nfs/dbraw/zinc/57/07/64/979570764.db2.gz GBGXAUDJZBCECY-IUODEOHRSA-N -1 0 342.420 3.131 20 30 EGEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)NC[C@@H](C(=O)[O-])C1CCCCC1 ZINC001592834886 979581076 /nfs/dbraw/zinc/58/10/76/979581076.db2.gz ZHFVCKWNIISMCF-RDTXWAMCSA-N -1 0 342.439 3.134 20 30 EGEDRM CC[C@H](CNC(=O)Nc1ccccc1S[C@@H](C)CC#N)C(=O)[O-] ZINC001595154547 979659639 /nfs/dbraw/zinc/65/96/39/979659639.db2.gz OBVDNOZEGOHXDX-NWDGAFQWSA-N -1 0 335.429 3.313 20 30 EGEDRM Cc1nn(C)c2nc(Cl)cc(N=NC3CC[C@H](CC(=O)[O-])[C@@H]3C)c12 ZINC000872423049 980075193 /nfs/dbraw/zinc/07/51/93/980075193.db2.gz ZOOBZINIVDRYKF-WCBMZHEXSA-N -1 0 349.822 3.219 20 30 EGEDRM Cc1nn(C)c2nc(Cl)cc(N=NC3CC[C@@H](CC(=O)[O-])[C@H]3C)c12 ZINC000872423048 980075315 /nfs/dbraw/zinc/07/53/15/980075315.db2.gz ZOOBZINIVDRYKF-SCZZXKLOSA-N -1 0 349.822 3.219 20 30 EGEDRM N#Cc1ccc(C2(C(=O)NCc3ccccc3C(=O)[O-])CCCC2)cc1 ZINC000902377653 980862133 /nfs/dbraw/zinc/86/21/33/980862133.db2.gz GLZHUZXAPXPUNB-UHFFFAOYSA-N -1 0 348.402 3.385 20 30 EGEDRM C=C1CCC(C(=O)N[C@@H](CC(=O)[O-])c2ccc(OC)c(OC)c2)CC1 ZINC000908588829 981323302 /nfs/dbraw/zinc/32/33/02/981323302.db2.gz GNKVXMCZYZGGMW-HNNXBMFYSA-N -1 0 347.411 3.082 20 30 EGEDRM C#CCCCC(=O)N[C@H](CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000908856798 981379029 /nfs/dbraw/zinc/37/90/29/981379029.db2.gz RCGATSNOACYMNJ-CYBMUJFWSA-N -1 0 343.301 3.021 20 30 EGEDRM CCC[C@@](C)(NC(=O)C1(c2ccc(C#N)cc2)CCCC1)C(=O)[O-] ZINC001595546752 981414143 /nfs/dbraw/zinc/41/41/43/981414143.db2.gz SSDKZPQSNHMQPP-GOSISDBHSA-N -1 0 328.412 3.130 20 30 EGEDRM C=CCCC1(CNC(=O)CCCn2ccc(C(=O)[O-])n2)CCCC1 ZINC000909945359 981705565 /nfs/dbraw/zinc/70/55/65/981705565.db2.gz NIKOIRJIPNYDSV-UHFFFAOYSA-N -1 0 333.432 3.004 20 30 EGEDRM CCCC[C@H](ON=C(C)C)C(=O)N1CCc2c1cccc2C(=O)[O-] ZINC001595651102 982017682 /nfs/dbraw/zinc/01/76/82/982017682.db2.gz BYVWLLCSFBGDLP-INIZCTEOSA-N -1 0 332.400 3.245 20 30 EGEDRM CCCCCCCCOCC(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC001595704725 982278681 /nfs/dbraw/zinc/27/86/81/982278681.db2.gz XFSLHHNOYRRVRS-KRWDZBQOSA-N -1 0 349.427 3.242 20 30 EGEDRM C=C[C@@](C)(CC)C(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1 ZINC000911597649 982530234 /nfs/dbraw/zinc/53/02/34/982530234.db2.gz JRECKADJLWMRLW-IBGZPJMESA-N -1 0 330.428 3.390 20 30 EGEDRM CC[C@@H](C)C[C@H](NC(=O)C1(c2ccc(C#N)cc2)CCCC1)C(=O)[O-] ZINC001594936312 982593399 /nfs/dbraw/zinc/59/33/99/982593399.db2.gz JTMMIGXCWZIIDK-PBHICJAKSA-N -1 0 342.439 3.376 20 30 EGEDRM C#C[C@@H](NC(=O)Nc1cc(COC)cc(C(=O)[O-])c1)c1ccccc1 ZINC001588374511 983344738 /nfs/dbraw/zinc/34/47/38/983344738.db2.gz YKHNVWAFNPLXNQ-QGZVFWFLSA-N -1 0 338.363 3.027 20 30 EGEDRM C#CCOc1ccc(COC(=O)CC2(CC(=O)[O-])CCCC2)cc1 ZINC001588497390 983538475 /nfs/dbraw/zinc/53/84/75/983538475.db2.gz BVOKMJUFRLHBMZ-UHFFFAOYSA-N -1 0 330.380 3.167 20 30 EGEDRM C#Cc1ccc(NC(=O)NC[C@@](CC)(C(=O)[O-])c2ccccc2)cc1 ZINC001588518133 983568222 /nfs/dbraw/zinc/56/82/22/983568222.db2.gz RPFCLLGUFZBEFA-HXUWFJFHSA-N -1 0 336.391 3.222 20 30 EGEDRM C#Cc1cccc(N(Cc2ccco2)C(=O)C[C@@H](C)CC(=O)[O-])c1 ZINC001588523638 983572776 /nfs/dbraw/zinc/57/27/76/983572776.db2.gz PWBSCHJQZMEVRP-CQSZACIVSA-N -1 0 325.364 3.295 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C)C(=O)[O-] ZINC001588544071 983613100 /nfs/dbraw/zinc/61/31/00/983613100.db2.gz UBCAZDQMJJBECA-QGZVFWFLSA-N -1 0 344.386 3.382 20 30 EGEDRM C=C(C)C[C@H](NCc1cc(C(=O)[O-])ccc1Cl)C(=O)OCC ZINC001588553790 983628977 /nfs/dbraw/zinc/62/89/77/983628977.db2.gz SNSFBTNHTONERG-AWEZNQCLSA-N -1 0 325.792 3.026 20 30 EGEDRM C=C(C)CCC(=O)N(C)[C@@H](C(=O)[O-])c1ccc(Br)s1 ZINC001588555149 983633011 /nfs/dbraw/zinc/63/30/11/983633011.db2.gz ZRDWRLOBENKHAK-GFCCVEGCSA-N -1 0 346.246 3.451 20 30 EGEDRM C=C(C)Cn1c(C2CCC2)nnc1N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001588591372 983672474 /nfs/dbraw/zinc/67/24/74/983672474.db2.gz IHJLEHZMLZBOEB-HNNXBMFYSA-N -1 0 346.475 3.449 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N1CC[C@H](c2cccc(OC)c2)C1(C)C ZINC001588614483 983707918 /nfs/dbraw/zinc/70/79/18/983707918.db2.gz WSDAHVDEKNQLJL-MRXNPFEDSA-N -1 0 331.412 3.211 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(N(C)C(=O)OC(C)(C)C)cc1 ZINC001588629464 983737331 /nfs/dbraw/zinc/73/73/31/983737331.db2.gz LAWMSENKKMSUPK-UHFFFAOYSA-N -1 0 348.399 3.417 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1cc(C)nn1-c1cccc(Cl)c1 ZINC001588629776 983739386 /nfs/dbraw/zinc/73/93/86/983739386.db2.gz STMOWDFZDXIWFP-UHFFFAOYSA-N -1 0 333.775 3.194 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)NCc1ccc(OC)c(OC2CCCC2)c1 ZINC001588630408 983743803 /nfs/dbraw/zinc/74/38/03/983743803.db2.gz ZLHXPCLHDQLMKG-UHFFFAOYSA-N -1 0 347.411 3.054 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Oc1ccc(N(C)C(=O)OC(C)(C)C)cc1 ZINC001588633609 983750523 /nfs/dbraw/zinc/75/05/23/983750523.db2.gz PZZUEAWFZUFWIJ-UHFFFAOYSA-N -1 0 349.383 3.384 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccccc1C(=O)N(CCC)C(C)C ZINC001588634067 983751822 /nfs/dbraw/zinc/75/18/22/983751822.db2.gz QNDLOXGUJVXLPP-UHFFFAOYSA-N -1 0 346.427 3.307 20 30 EGEDRM C=CC(C)(C)CC(=O)Nc1cc(CCC(=O)[O-])ccc1OCOC ZINC001588673365 983830472 /nfs/dbraw/zinc/83/04/72/983830472.db2.gz SHBDBDQEUBEOOP-UHFFFAOYSA-N -1 0 335.400 3.227 20 30 EGEDRM C=CC(C)(C)CNC(=O)N[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001588677153 983833998 /nfs/dbraw/zinc/83/39/98/983833998.db2.gz UKJWPCBNNSPMQS-LBPRGKRZSA-N -1 0 344.333 3.500 20 30 EGEDRM C=C[C@H](Nc1ccc([C@@H]2C[C@H]2NC(=O)OC(C)(C)C)cc1)C(=O)[O-] ZINC001588701999 983917746 /nfs/dbraw/zinc/91/77/46/983917746.db2.gz FROMCBQMYQZOJU-SOUVJXGZSA-N -1 0 332.400 3.118 20 30 EGEDRM C=C[C@@H](OC(=O)c1cc(-c2cccnc2)nc2ccccc21)C(=O)[O-] ZINC001588713236 983948273 /nfs/dbraw/zinc/94/82/73/983948273.db2.gz SSDFBDXALNQPKV-QGZVFWFLSA-N -1 0 334.331 3.093 20 30 EGEDRM C=C[C@@H](Sc1nc2cc(Cl)ccc2n1CCOC)C(=O)[O-] ZINC001588714220 983950630 /nfs/dbraw/zinc/95/06/30/983950630.db2.gz CHHNRKURHOLUSA-GFCCVEGCSA-N -1 0 326.805 3.067 20 30 EGEDRM C=CC[C@H](Cc1ccccc1)NC(=O)C1(C(=O)[O-])CC2(CCC2)C1 ZINC001588743879 984040053 /nfs/dbraw/zinc/04/00/53/984040053.db2.gz FAXNAMGCJOPFKN-MRXNPFEDSA-N -1 0 327.424 3.325 20 30 EGEDRM C=CC[C@@H](Cc1ccccc1)NC(=O)c1ccsc1CC(=O)[O-] ZINC001588744081 984041583 /nfs/dbraw/zinc/04/15/83/984041583.db2.gz HIJPMGWSYHZKRG-AWEZNQCLSA-N -1 0 329.421 3.292 20 30 EGEDRM C=CC[C@@H](OC(=O)c1ccccc1OCc1c(C)noc1C)C(=O)[O-] ZINC001588757097 984101412 /nfs/dbraw/zinc/10/14/12/984101412.db2.gz VGRLNBUWZNGKBQ-MRXNPFEDSA-N -1 0 345.351 3.057 20 30 EGEDRM C=CCC[C@H](NC(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1)c1ccccc1 ZINC001588779287 984165050 /nfs/dbraw/zinc/16/50/50/984165050.db2.gz VTHQNFGVFCXGQC-OIISXLGYSA-N -1 0 330.428 3.446 20 30 EGEDRM C=CCC[C@@H]1CCCN1C(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC001588782030 984169631 /nfs/dbraw/zinc/16/96/31/984169631.db2.gz NESOYNUZAQCWPH-GFCCVEGCSA-N -1 0 328.372 3.224 20 30 EGEDRM C=CCCC[C@H](NC(=O)/C(C)=C\c1ccc(OC)c(F)c1)C(=O)[O-] ZINC001588785502 984180777 /nfs/dbraw/zinc/18/07/77/984180777.db2.gz HMLJPMFVTXTXOE-WQTVUKCASA-N -1 0 335.375 3.163 20 30 EGEDRM C=CCCC[C@H](NC(=O)Cc1c(C)nc2ccccc2c1C)C(=O)[O-] ZINC001588789102 984196899 /nfs/dbraw/zinc/19/68/99/984196899.db2.gz YEQHHIKTHOWHGI-SFHVURJKSA-N -1 0 340.423 3.320 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1ccc(Nc2cccnc2)cc1)C(=O)[O-] ZINC001588792571 984210856 /nfs/dbraw/zinc/21/08/56/984210856.db2.gz BEZNSDVYBVPOQB-KRWDZBQOSA-N -1 0 339.395 3.365 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1ccc(Br)cc1F)C(=O)[O-] ZINC001588793115 984216465 /nfs/dbraw/zinc/21/64/65/984216465.db2.gz SREVRANPZUNIHE-GFCCVEGCSA-N -1 0 344.180 3.128 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1ccn(-c2ccccc2Cl)n1)C(=O)[O-] ZINC001588793702 984221087 /nfs/dbraw/zinc/22/10/87/984221087.db2.gz XTIAAJYWWVZGHD-CQSZACIVSA-N -1 0 347.802 3.065 20 30 EGEDRM C=CCOc1ccc(COC(=O)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC001588872670 984441419 /nfs/dbraw/zinc/44/14/19/984441419.db2.gz BELOOVDXQBWDEN-UHFFFAOYSA-N -1 0 326.348 3.236 20 30 EGEDRM C=CCSCCNC(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC001588879501 984457954 /nfs/dbraw/zinc/45/79/54/984457954.db2.gz AWFBDWVWSPTKKH-UHFFFAOYSA-N -1 0 340.470 3.294 20 30 EGEDRM C=CCn1c(C)cc(C(=O)COc2cc(OC)ccc2C(=O)[O-])c1C ZINC001588897015 984506866 /nfs/dbraw/zinc/50/68/66/984506866.db2.gz MXYQYGKKPSNJAL-UHFFFAOYSA-N -1 0 343.379 3.259 20 30 EGEDRM C=CCn1c(SCc2ccc(C(=O)[O-])o2)nnc1-c1ccco1 ZINC001588907183 984538084 /nfs/dbraw/zinc/53/80/84/984538084.db2.gz GIYWSNICRSTLAW-UHFFFAOYSA-N -1 0 331.353 3.308 20 30 EGEDRM C=CCn1cc2ccc(NC(=O)c3ccc(C(=O)[O-])c(F)c3)cc2n1 ZINC001588909075 984541814 /nfs/dbraw/zinc/54/18/14/984541814.db2.gz IAEOILDGAJPCCV-UHFFFAOYSA-N -1 0 339.326 3.312 20 30 EGEDRM C=CCn1ncc2ccc(NC(=O)c3ccc(C(=O)[O-])c(F)c3)cc21 ZINC001588912618 984552222 /nfs/dbraw/zinc/55/22/22/984552222.db2.gz LERMOQIUXYJJDU-UHFFFAOYSA-N -1 0 339.326 3.312 20 30 EGEDRM CC(=O)c1ccc(C#N)c(N2CCc3c(F)ccc(C(=O)[O-])c3C2)c1 ZINC001589273851 985978307 /nfs/dbraw/zinc/97/83/07/985978307.db2.gz SJQNCAXRHNPAHL-UHFFFAOYSA-N -1 0 338.338 3.161 20 30 EGEDRM Cc1c2c(nc(SCc3cncc(C(=O)[O-])c3)c1C#N)CCC2 ZINC001599973403 986048005 /nfs/dbraw/zinc/04/80/05/986048005.db2.gz RKPZYPINOYESRU-UHFFFAOYSA-N -1 0 325.393 3.136 20 30 EGEDRM Cc1c(C#N)cccc1NC(=O)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001599975193 986077578 /nfs/dbraw/zinc/07/75/78/986077578.db2.gz VCOLFNAMTAIUPL-FQEVSTJZSA-N -1 0 349.390 3.127 20 30 EGEDRM CC/C(=C\C(=O)N1CCC(C#N)(C(=O)[O-])CC1)c1cccc(Cl)c1 ZINC001594692192 987100998 /nfs/dbraw/zinc/10/09/98/987100998.db2.gz WNPOTWZBESMLST-ACCUITESSA-N -1 0 346.814 3.350 20 30 EGEDRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)cc1 ZINC001589512323 987149439 /nfs/dbraw/zinc/14/94/39/987149439.db2.gz QGJLGMRZBSUSGA-OCBCSQNSSA-N -1 0 334.375 3.489 20 30 EGEDRM CCC(=O)N1CCc2ccc(N[C@@H](C(=O)[O-])c3cccc(C#N)c3)cc21 ZINC001594705831 987150550 /nfs/dbraw/zinc/15/05/50/987150550.db2.gz NDLHESYKOWMHRO-LJQANCHMSA-N -1 0 349.390 3.095 20 30 EGEDRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)Nc2cc(F)cc(C#N)c2)C1 ZINC001589611737 987467454 /nfs/dbraw/zinc/46/74/54/987467454.db2.gz VOONVYJMXNYWCY-LBPRGKRZSA-N -1 0 333.363 3.052 20 30 EGEDRM CC(C)(C(=O)[O-])N(Cc1ccccc1)C(=O)c1ccc(C#N)s1 ZINC001589617240 987490697 /nfs/dbraw/zinc/49/06/97/987490697.db2.gz XQTDWUBFHCSHSB-UHFFFAOYSA-N -1 0 328.393 3.125 20 30 EGEDRM CCc1cc(=O)oc2cc(Oc3ccc(C(=O)[O-])nc3C#N)ccc12 ZINC001597424268 987747905 /nfs/dbraw/zinc/74/79/05/987747905.db2.gz PSBDASKMWWQKCX-UHFFFAOYSA-N -1 0 336.303 3.113 20 30 EGEDRM CCc1ccc(C#CC(=O)NC[C@@H](C(=O)[O-])C2CCCCCC2)cc1 ZINC001597494957 988040735 /nfs/dbraw/zinc/04/07/35/988040735.db2.gz MREKZUVJZZVMGL-LJQANCHMSA-N -1 0 341.451 3.388 20 30 EGEDRM CC(C)[C@@H]1C[C@@H](CC(=O)OCc2cccc(C(=O)[O-])c2C#N)CCO1 ZINC001591072556 991535382 /nfs/dbraw/zinc/53/53/82/991535382.db2.gz NOFZBFJJWWMOSW-GUYCJALGSA-N -1 0 345.395 3.141 20 30 EGEDRM CC(C)CCc1ccccc1NC(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001591270517 992189977 /nfs/dbraw/zinc/18/99/77/992189977.db2.gz ULWNFNWELAWXLV-UHFFFAOYSA-N -1 0 343.427 3.497 20 30 EGEDRM CC(C)CN(C(=O)Cc1ccc(C(=O)[O-])cc1)c1ccc(C#N)cc1 ZINC001591280054 992206137 /nfs/dbraw/zinc/20/61/37/992206137.db2.gz BDXNIUTZHOCFIA-UHFFFAOYSA-N -1 0 336.391 3.488 20 30 EGEDRM COc1ccc(NC(=O)c2cccc(SCC#N)c2)c(C(=O)[O-])c1 ZINC001599595780 993746804 /nfs/dbraw/zinc/74/68/04/993746804.db2.gz LXXVAQLWZWHQOG-UHFFFAOYSA-N -1 0 342.376 3.261 20 30 EGEDRM COc1cccc(N=C2NN=C(c3cccc(C(=O)[O-])c3)CS2)c1 ZINC001599679834 994960900 /nfs/dbraw/zinc/96/09/00/994960900.db2.gz KYMJUTHWXRAMIA-UHFFFAOYSA-N -1 0 341.392 3.122 20 30 EGEDRM C[C@H](Nc1ccc(C(=O)[O-])nc1C#N)c1nc2cc(Cl)ccc2[nH]1 ZINC001593363888 995038381 /nfs/dbraw/zinc/03/83/81/995038381.db2.gz WFDUJNPCGYSTEO-QMMMGPOBSA-N -1 0 341.758 3.354 20 30 EGEDRM C[C@@H](Oc1ccccc1C=NNC1CCC(F)(F)CC1)C(=O)[O-] ZINC001593644233 995958216 /nfs/dbraw/zinc/95/82/16/995958216.db2.gz GJPHWJIGIZRQMO-LLVKDONJSA-N -1 0 326.343 3.040 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(Cl)c(C#N)c1 ZINC001599386276 996950532 /nfs/dbraw/zinc/95/05/32/996950532.db2.gz KLMVHHCCLRGBEN-UHFFFAOYSA-N -1 0 330.727 3.171 20 30 EGEDRM COc1cc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)ccc1Cl ZINC001599386418 996953823 /nfs/dbraw/zinc/95/38/23/996953823.db2.gz SKEGPMLIIIHYIN-OAHLLOKOSA-N -1 0 345.738 3.203 20 30 EGEDRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)/C=C\c1ccccc1C#N ZINC001599396217 997130303 /nfs/dbraw/zinc/13/03/03/997130303.db2.gz LHJCDDJJVLXWSY-WAKDDQPJSA-N -1 0 349.342 3.283 20 30 EGEDRM COc1cc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2)ccc1[N+](=O)[O-] ZINC001599399021 997180871 /nfs/dbraw/zinc/18/08/71/997180871.db2.gz AKOPEZBOIZFUKC-YCRREMRBSA-N -1 0 327.292 3.198 20 30 EGEDRM CC1(O)CCC(N=Nc2cc(C(=O)[O-])ccc2Br)CC1 ZINC001594065515 997871201 /nfs/dbraw/zinc/87/12/01/997871201.db2.gz ZJCOEZHBPCEANG-UHFFFAOYSA-N -1 0 341.205 3.240 20 30 EGEDRM COc1ccc(/C=C\C(=O)[O-])cc1OC(=O)c1ccc(CC#N)cc1 ZINC001599546452 997931458 /nfs/dbraw/zinc/93/14/58/997931458.db2.gz NWODUTNTXHTNOW-UITAMQMPSA-N -1 0 337.331 3.078 20 30 EGEDRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC001594156146 998566565 /nfs/dbraw/zinc/56/65/65/998566565.db2.gz IVIBGEVGMNPLNH-QAPCUYQASA-N -1 0 348.402 3.413 20 30 EGEDRM C[C@H](Oc1cccc(/C=C2\CCc3cc(O)ccc3C2=O)c1)C(=O)[O-] ZINC000060364421 214634644 /nfs/dbraw/zinc/63/46/44/214634644.db2.gz RVXRBLUTLMNSQW-DGGAMASNSA-N -1 0 338.359 3.457 20 30 EGEDRM C=CCn1c(=O)c2ccc(C(=O)Nc3ccccc3)cc2[n-]c1=S ZINC000012737653 211441730 /nfs/dbraw/zinc/44/17/30/211441730.db2.gz SWKVJMQPUQDZTH-UHFFFAOYSA-N -1 0 337.404 3.124 20 30 EGEDRM CCCN(Cc1ccc(C#N)cc1)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000263444059 141049116 /nfs/dbraw/zinc/04/91/16/141049116.db2.gz FIRHJVNYFANQFC-UHFFFAOYSA-N -1 0 343.427 3.123 20 30 EGEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(Cl)c1C ZINC000184766349 144098890 /nfs/dbraw/zinc/09/88/90/144098890.db2.gz DIGLDWMCNBDACB-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)c1 ZINC000186930872 144147058 /nfs/dbraw/zinc/14/70/58/144147058.db2.gz RKZSTLKMBKFMJB-UHFFFAOYSA-N -1 0 331.784 3.494 20 30 EGEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(C#N)c2ccccc2n1 ZINC000351222912 144260527 /nfs/dbraw/zinc/26/05/27/144260527.db2.gz MJFAZICSHJBXDB-UHFFFAOYSA-N -1 0 348.387 3.087 20 30 EGEDRM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)N=c1[n-]n(C(C)C)cc1C#N ZINC000330971862 154192352 /nfs/dbraw/zinc/19/23/52/154192352.db2.gz UFAKXBBCBRLBBS-BPUTZDHNSA-N -1 0 332.448 3.070 20 30 EGEDRM COc1c(Cl)cc([N-]S(=O)(=O)c2ccc(C#N)o2)cc1Cl ZINC000340784995 163667571 /nfs/dbraw/zinc/66/75/71/163667571.db2.gz ORYSVDCNISXZMB-UHFFFAOYSA-N -1 0 347.179 3.267 20 30 EGEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)o2)ccc1Br ZINC000340786389 163667595 /nfs/dbraw/zinc/66/75/95/163667595.db2.gz PTRXZOAQMRZDHC-UHFFFAOYSA-N -1 0 341.186 3.023 20 30 EGEDRM N#Cc1cnc(C(=O)Nc2cc(Cl)c([O-])cc2F)c(Cl)c1 ZINC000345668988 164238944 /nfs/dbraw/zinc/23/89/44/164238944.db2.gz DERXIZLJAZUNSM-UHFFFAOYSA-N -1 0 326.114 3.357 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC3CC3)cc2)s1 ZINC000435492665 270051260 /nfs/dbraw/zinc/05/12/60/270051260.db2.gz FKONYKAEWXOCGD-UHFFFAOYSA-N -1 0 334.422 3.209 20 30 EGEDRM CCC(CC)c1n[n-]c(=NC(=O)NCc2ccc(C#N)c(F)c2)s1 ZINC000454309172 270053741 /nfs/dbraw/zinc/05/37/41/270053741.db2.gz ACZZHVNCXTWMAZ-UHFFFAOYSA-N -1 0 347.419 3.196 20 30 EGEDRM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435478699 267026819 /nfs/dbraw/zinc/02/68/19/267026819.db2.gz IFPCZIZDCBUOSY-UHFFFAOYSA-N -1 0 346.437 3.114 20 30 EGEDRM CN(Cc1nc(=O)c2sccc2[n-]1)Cc1cccc(F)c1C#N ZINC000428435557 267323452 /nfs/dbraw/zinc/32/34/52/267323452.db2.gz ASNIIEGQWYNSSJ-UHFFFAOYSA-N -1 0 328.372 3.040 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cn2)ccc1C#N ZINC000446763845 268017706 /nfs/dbraw/zinc/01/77/06/268017706.db2.gz ZPNWJOOEUOBXID-UHFFFAOYSA-N -1 0 341.314 3.081 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(N3CCCCCC3)c2)o1 ZINC000288563943 268207390 /nfs/dbraw/zinc/20/73/90/268207390.db2.gz KBWQGSLXKVQRKV-UHFFFAOYSA-N -1 0 345.424 3.332 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cn2)c(Cl)c1 ZINC000183159724 268207416 /nfs/dbraw/zinc/20/74/16/268207416.db2.gz OGFDXHUGWWOTSG-UHFFFAOYSA-N -1 0 328.180 3.061 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)on2)c(F)c1 ZINC000531129517 268259712 /nfs/dbraw/zinc/25/97/12/268259712.db2.gz VIGGXNLGYZTKPS-UHFFFAOYSA-N -1 0 343.339 3.153 20 30 EGEDRM N#CC(=C([O-])c1occc1COc1cccc(C#N)c1)c1ccncn1 ZINC000354459415 268275358 /nfs/dbraw/zinc/27/53/58/268275358.db2.gz DDIDULOAUZWGSM-INIZCTEOSA-N -1 0 344.330 3.010 20 30 EGEDRM CCc1ccc(O)c([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c1 ZINC000183079565 275210301 /nfs/dbraw/zinc/21/03/01/275210301.db2.gz HBPHPEMSSKSVBI-UHFFFAOYSA-N -1 0 336.800 3.280 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cnc3c(c2)CCCC3)c(Cl)c1 ZINC000545859358 314786048 /nfs/dbraw/zinc/78/60/48/314786048.db2.gz VLEYWARFICBSHT-UHFFFAOYSA-N -1 0 347.827 3.286 20 30 EGEDRM CCCc1nc(C)c([N-]S(=O)(=O)c2ccc(C#N)cc2F)s1 ZINC000548598186 315024649 /nfs/dbraw/zinc/02/46/49/315024649.db2.gz FDUOBNGCVXNERH-UHFFFAOYSA-N -1 0 339.417 3.216 20 30 EGEDRM C[C@H](CC(C)(C)c1ccccc1)NS(=O)(=O)c1ccc(C#N)o1 ZINC000553799280 315283277 /nfs/dbraw/zinc/28/32/77/315283277.db2.gz NXEHWHOHQMRVOM-CYBMUJFWSA-N -1 0 332.425 3.186 20 30 EGEDRM CCc1cc(C#N)c([N-]S(=O)(=O)c2cccc(F)c2F)s1 ZINC000564623931 316176680 /nfs/dbraw/zinc/17/66/80/316176680.db2.gz AJLKNWOTGLJAAX-UHFFFAOYSA-N -1 0 328.365 3.261 20 30 EGEDRM Cc1oc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)nc1C1CC1 ZINC000565520840 316334670 /nfs/dbraw/zinc/33/46/70/316334670.db2.gz BUNKVUNSTJCSFA-UHFFFAOYSA-N -1 0 337.788 3.186 20 30 EGEDRM Cc1cc(Sc2n[n-]c(=NC3CCCCC3)s2)c(C#N)cn1 ZINC000575863069 324495150 /nfs/dbraw/zinc/49/51/50/324495150.db2.gz DUHDASATJKXNLL-UHFFFAOYSA-N -1 0 331.470 3.431 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2OC(F)F)c(F)c1 ZINC000579176942 325071857 /nfs/dbraw/zinc/07/18/57/325071857.db2.gz LQCBHARIWVJXRF-UHFFFAOYSA-N -1 0 342.298 3.100 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(CCC(F)(F)F)cc2)o1 ZINC000579636192 325138012 /nfs/dbraw/zinc/13/80/12/325138012.db2.gz ZLTXHGYCXMLPPE-UHFFFAOYSA-N -1 0 344.314 3.447 20 30 EGEDRM C=CCN=c1[n-]nc(SCc2csc([C@@H](C)OC)n2)s1 ZINC000356612990 457084314 /nfs/dbraw/zinc/08/43/14/457084314.db2.gz SPUSEKKLIJGRQS-MRVPVSSYSA-N -1 0 328.488 3.014 20 30 EGEDRM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)C3CCOCC3)c2)c1 ZINC000238199550 455258636 /nfs/dbraw/zinc/25/86/36/455258636.db2.gz JBMJSEUSAZEMLQ-UHFFFAOYSA-N -1 0 349.386 3.150 20 30 EGEDRM N#Cc1ccc(Cl)cc1NC(=O)CSc1ncccc1C(=O)[O-] ZINC000003243831 452751927 /nfs/dbraw/zinc/75/19/27/452751927.db2.gz OLDNRBVEZQIMRM-UHFFFAOYSA-N -1 0 347.783 3.036 20 30 EGEDRM C[C@@H]1CN(c2c(C#N)cnc3c(Cl)cccc32)CC[C@H]1C(=O)[O-] ZINC000600800556 460610271 /nfs/dbraw/zinc/61/02/71/460610271.db2.gz MMLAJVMNDPJRMM-ZYHUDNBSSA-N -1 0 329.787 3.307 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2cc(-c3ccc(F)cc3)[nH]n2)n1 ZINC000041515484 453970066 /nfs/dbraw/zinc/97/00/66/453970066.db2.gz YFNOYGUYHAHNAF-GFCCVEGCSA-N -1 0 326.356 3.471 20 30 EGEDRM C[S@](=O)Cc1cccc(C([O-])=C(C#N)c2nc3ccccc3o2)c1 ZINC000041542186 453971352 /nfs/dbraw/zinc/97/13/52/453971352.db2.gz TWLJLEBSITVSRV-JBEBIEQOSA-N -1 0 338.388 3.196 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(F)cc(F)c2)n1 ZINC000067896110 453978544 /nfs/dbraw/zinc/97/85/44/453978544.db2.gz NIJKFLPJRLJGAO-NSHDSACASA-N -1 0 336.319 3.088 20 30 EGEDRM N#Cc1ccc(CS(=O)(=O)[N-]C(=O)C=Cc2cccc(F)c2)cc1 ZINC000042311882 454005909 /nfs/dbraw/zinc/00/59/09/454005909.db2.gz ZDQRYOUYNZSVBI-CMDGGOBGSA-N -1 0 344.367 3.197 20 30 EGEDRM CCOc1ccc(OC)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000076937351 454050306 /nfs/dbraw/zinc/05/03/06/454050306.db2.gz CPEZSLQKIFOPLD-UHFFFAOYSA-N -1 0 346.408 3.075 20 30 EGEDRM Cc1cc(C)c(C)c(S(=O)(=O)[N-]C(=O)C[C@H]2CCCO2)c1C ZINC000069604243 454123539 /nfs/dbraw/zinc/12/35/39/454123539.db2.gz OHKWBDLKQFDQAP-CQSZACIVSA-N -1 0 325.430 3.135 20 30 EGEDRM C=CCCS(=O)(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000120133804 454262641 /nfs/dbraw/zinc/26/26/41/454262641.db2.gz AAYKFPHVWIZYKZ-UHFFFAOYSA-N -1 0 330.409 3.257 20 30 EGEDRM C=CCCS(=O)(=O)[N-]c1cc(Cl)ccc1OCCOCC ZINC000120180650 454268598 /nfs/dbraw/zinc/26/85/98/454268598.db2.gz JSFLVVDKNGRRGT-UHFFFAOYSA-N -1 0 333.837 3.073 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)N(C)CCCc2ccccc2)cc1C#N ZINC000060673329 454309894 /nfs/dbraw/zinc/30/98/94/454309894.db2.gz MNTFKDBCJPHHRC-UHFFFAOYSA-N -1 0 341.436 3.086 20 30 EGEDRM N#CCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])c1ccccc1 ZINC000120990591 454375309 /nfs/dbraw/zinc/37/53/09/454375309.db2.gz ATISCVOTSYOCGR-CQSZACIVSA-N -1 0 325.324 3.075 20 30 EGEDRM CCCCN(CC)c1ccc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)cc1 ZINC000101638798 454479098 /nfs/dbraw/zinc/47/90/98/454479098.db2.gz XGBWTKMZLOBDHA-UHFFFAOYSA-N -1 0 336.399 3.032 20 30 EGEDRM C=CCN(CCc1ccccc1)C(=O)c1cc(NC(C)=O)ccc1O ZINC000122018892 454505102 /nfs/dbraw/zinc/50/51/02/454505102.db2.gz KWXZOYPGRMSTLY-UHFFFAOYSA-N -1 0 338.407 3.222 20 30 EGEDRM O=C([N-]S(=O)(=O)C1CCCCC1)c1ccccc1Br ZINC000049513808 454551012 /nfs/dbraw/zinc/55/10/12/454551012.db2.gz JKQFWHMQFBHWKD-UHFFFAOYSA-N -1 0 346.246 3.416 20 30 EGEDRM N#Cc1ccc(F)cc1CSc1nc(=O)cc([O-])n1C1CCCC1 ZINC000177630341 454885882 /nfs/dbraw/zinc/88/58/82/454885882.db2.gz VTAGNSBRKNMUFC-UHFFFAOYSA-N -1 0 345.399 3.367 20 30 EGEDRM C=CCCO[C@@H](C)C(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000191473668 455487537 /nfs/dbraw/zinc/48/75/37/455487537.db2.gz BHKVYKWRCMKWIE-SUMWQHHRSA-N -1 0 327.380 3.063 20 30 EGEDRM Cc1[n-]n(-c2cc(C)ccc2C)c(=O)c1C(=O)Nc1ccc(C#N)cc1 ZINC000155578166 455018490 /nfs/dbraw/zinc/01/84/90/455018490.db2.gz RLNIWCCNGLYQJZ-SFHVURJKSA-N -1 0 346.390 3.153 20 30 EGEDRM C=CCCCCCN(C)C(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000128753477 455081148 /nfs/dbraw/zinc/08/11/48/455081148.db2.gz SXWIWCJSGMAMKK-UHFFFAOYSA-N -1 0 345.468 3.041 20 30 EGEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccn1 ZINC000182948461 455197129 /nfs/dbraw/zinc/19/71/29/455197129.db2.gz FYKHMRPPPVKJKA-UHFFFAOYSA-N -1 0 341.314 3.081 20 30 EGEDRM CCCn1cc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)cn1 ZINC000181565515 455355189 /nfs/dbraw/zinc/35/51/89/455355189.db2.gz BXXRNINOSJUPEL-CQSZACIVSA-N -1 0 337.408 3.302 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)c2cnc3ccccc3n2)cc([N+](=O)[O-])c1 ZINC000190996431 455421825 /nfs/dbraw/zinc/42/18/25/455421825.db2.gz MFYFNEDSXGNGCR-CQSZACIVSA-N -1 0 332.319 3.337 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nccc3sccc32)c(F)c1 ZINC000160921940 455513708 /nfs/dbraw/zinc/51/37/08/455513708.db2.gz OLXKTMSLTZATPY-UHFFFAOYSA-N -1 0 333.369 3.108 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2cccc(OCCCC#N)c2)c(C)o1 ZINC000182782815 455586361 /nfs/dbraw/zinc/58/63/61/455586361.db2.gz NWBVXBNJVOSYSP-UHFFFAOYSA-N -1 0 334.397 3.380 20 30 EGEDRM N#Cc1ccccc1[N-]S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2 ZINC000192725338 455679600 /nfs/dbraw/zinc/67/96/00/455679600.db2.gz MEISAQZCHUCIJG-UHFFFAOYSA-N -1 0 349.371 3.078 20 30 EGEDRM CC(C)(C)CN(CCC#N)C(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000268440935 455683075 /nfs/dbraw/zinc/68/30/75/455683075.db2.gz PBWYDBQXPMTBEO-UHFFFAOYSA-N -1 0 344.390 3.119 20 30 EGEDRM Cn1cc(Br)cc1C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000192794755 455695452 /nfs/dbraw/zinc/69/54/52/455695452.db2.gz PGAHILKFWMSCLZ-SNVBAGLBSA-N -1 0 344.168 3.419 20 30 EGEDRM C=C(C)C[C@H](C)C(=O)N(CCC(=O)[O-])Cc1cccc(F)c1F ZINC000192868630 455708381 /nfs/dbraw/zinc/70/83/81/455708381.db2.gz UJFUKWHPEBGAHK-LBPRGKRZSA-N -1 0 325.355 3.370 20 30 EGEDRM COc1cc(SC)ccc1[N-]S(=O)(=O)c1cc(C#N)ccc1C ZINC000193272273 455750523 /nfs/dbraw/zinc/75/05/23/455750523.db2.gz QDPYLHQKPLYVMU-UHFFFAOYSA-N -1 0 348.449 3.398 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2cnn(Cc3ccccc3)c2C)n1 ZINC000194081657 455800558 /nfs/dbraw/zinc/80/05/58/455800558.db2.gz KLNKNXRWIUNXMZ-OAHLLOKOSA-N -1 0 336.420 3.495 20 30 EGEDRM C[C@H]1C[C@@H]1c1n[n-]c(=NCc2cn(CCC#N)nc2-c2ccccc2)o1 ZINC000601063751 460695500 /nfs/dbraw/zinc/69/55/00/460695500.db2.gz JBGWCJRFKOZXMY-BBRMVZONSA-N -1 0 348.410 3.004 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2ccccc2OCC(F)(F)F)cc1[O-] ZINC000188242592 456028509 /nfs/dbraw/zinc/02/85/09/456028509.db2.gz QMGCQYBHWBTZGV-UHFFFAOYSA-N -1 0 336.269 3.457 20 30 EGEDRM Cc1ccc2c(ncc(C#N)c2NCCCC(=O)[O-])c1Br ZINC000262963533 456072278 /nfs/dbraw/zinc/07/22/78/456072278.db2.gz ABXHHMBYKDQEPI-UHFFFAOYSA-N -1 0 348.200 3.454 20 30 EGEDRM CC(C)(C#N)c1ccc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])cc1 ZINC000225703617 456104652 /nfs/dbraw/zinc/10/46/52/456104652.db2.gz HXTFIYXTNVMMCT-UHFFFAOYSA-N -1 0 325.324 3.354 20 30 EGEDRM C=C[C@@](C)(CCOC)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000188698462 456116109 /nfs/dbraw/zinc/11/61/09/456116109.db2.gz WZRIIIOPQHZZBZ-AWEZNQCLSA-N -1 0 328.752 3.121 20 30 EGEDRM COC(=O)Cc1cccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)c1 ZINC000188956340 456181898 /nfs/dbraw/zinc/18/18/98/456181898.db2.gz FBHRJQIVQZNHGA-AWEZNQCLSA-N -1 0 342.420 3.472 20 30 EGEDRM O=C1[C@H](/N=C/c2cc([N+](=O)[O-])ccc2[O-])CCCN1C1CCCCC1 ZINC000276191094 456409780 /nfs/dbraw/zinc/40/97/80/456409780.db2.gz UMAMJDRARUDOFE-PUMYGXPMSA-N -1 0 345.399 3.043 20 30 EGEDRM N#Cc1ccc(CN=c2[n-]nc(Cc3ccc(Cl)cc3)o2)c(F)c1 ZINC000347874810 456419944 /nfs/dbraw/zinc/41/99/44/456419944.db2.gz INVOXTSSYIVCQA-UHFFFAOYSA-N -1 0 342.761 3.359 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2c(C#N)cnn2C2CCCC2)c(F)c1 ZINC000337748571 456521249 /nfs/dbraw/zinc/52/12/49/456521249.db2.gz DWVRQUDQESHKFP-UHFFFAOYSA-N -1 0 348.403 3.118 20 30 EGEDRM Cc1ccc(Br)c([N-]S(=O)(=O)c2ccc(C#N)o2)c1 ZINC000340982025 456798282 /nfs/dbraw/zinc/79/82/82/456798282.db2.gz PSCDTZLIHJSAET-UHFFFAOYSA-N -1 0 341.186 3.023 20 30 EGEDRM C[C@@H]1C[C@@H](C([O-])=Nc2cccn(CC(F)(F)F)c2=O)CCC1=O ZINC000328958602 456801748 /nfs/dbraw/zinc/80/17/48/456801748.db2.gz PPUQFOVKBURUEB-ZJUUUORDSA-N -1 0 330.306 3.004 20 30 EGEDRM C=C(C)COc1cc(CNCc2nc(C(=O)[O-])cs2)ccc1OC ZINC000277392787 456806572 /nfs/dbraw/zinc/80/65/72/456806572.db2.gz RLZBVBULMGVQMW-UHFFFAOYSA-N -1 0 348.424 3.095 20 30 EGEDRM N#C[C@H](C(=O)c1cncc(C(F)(F)F)c1)c1nc2ccccc2[nH]1 ZINC000344854453 456868356 /nfs/dbraw/zinc/86/83/56/456868356.db2.gz XHAGSAPSJAKLAC-LLVKDONJSA-N -1 0 330.269 3.467 20 30 EGEDRM CCn1c2ccc(C#N)cc2nc1-c1n[nH]c2cc(C(=O)[O-])ccc21 ZINC000345411450 456977650 /nfs/dbraw/zinc/97/76/50/456977650.db2.gz CIRLNXACHSYSBC-UHFFFAOYSA-N -1 0 331.335 3.169 20 30 EGEDRM C=CCC(CC=C)C(=O)N[C@@H](C(=O)[O-])c1ccc(OC(F)F)cc1 ZINC000346000146 457011395 /nfs/dbraw/zinc/01/13/95/457011395.db2.gz PKVOBBXVRBZORA-CQSZACIVSA-N -1 0 339.338 3.298 20 30 EGEDRM O=C(N=c1cn[n-]s1)N[C@H]1CCCc2cn(C3CCCC3)nc21 ZINC000330273593 457018231 /nfs/dbraw/zinc/01/82/31/457018231.db2.gz ZLAPKTFJHIBSGR-LBPRGKRZSA-N -1 0 332.433 3.253 20 30 EGEDRM C=CCOc1cccc([N-]S(=O)(=O)c2c(OC)cccc2OC)c1 ZINC000356613009 457084525 /nfs/dbraw/zinc/08/45/25/457084525.db2.gz SSHGCSCIASWVEO-UHFFFAOYSA-N -1 0 349.408 3.069 20 30 EGEDRM CCOC(=O)c1cnc(C)c(C([O-])=C(C#N)c2nc3ccccc3o2)c1 ZINC000354365566 457186119 /nfs/dbraw/zinc/18/61/19/457186119.db2.gz KANAKOMALSUXIV-AWEZNQCLSA-N -1 0 349.346 3.198 20 30 EGEDRM CCOC(=O)c1cnc(C)c(C([O-])=C(C#N)c2nc3ccccc3o2)c1 ZINC000354365567 457186939 /nfs/dbraw/zinc/18/69/39/457186939.db2.gz KANAKOMALSUXIV-CQSZACIVSA-N -1 0 349.346 3.198 20 30 EGEDRM C=CCC[C@H](NC(=O)N=c1nc([C@H](C)OC)[n-]s1)c1ccccc1 ZINC000350635969 457195068 /nfs/dbraw/zinc/19/50/68/457195068.db2.gz FQNDIWKEGFKSOA-JSGCOSHPSA-N -1 0 346.456 3.496 20 30 EGEDRM CCc1noc2ncc(C([O-])=C(C#N)c3nc4ccccc4[nH]3)cc12 ZINC000342274188 457204462 /nfs/dbraw/zinc/20/44/62/457204462.db2.gz WCMSVIBPPMRQIS-GFCCVEGCSA-N -1 0 331.335 3.152 20 30 EGEDRM N#CC(=C([O-])c1cnc(Cc2ccc(F)cc2)s1)c1ccncn1 ZINC000354466652 457242281 /nfs/dbraw/zinc/24/22/81/457242281.db2.gz NCGTYXWRHHUKQB-ZDUSSCGKSA-N -1 0 338.367 3.153 20 30 EGEDRM CCCOc1nc(C([O-])=C(C#N)c2ccncn2)cc2ccccc21 ZINC000354469362 457243266 /nfs/dbraw/zinc/24/32/66/457243266.db2.gz QSAXMZFNGVNDTG-HNNXBMFYSA-N -1 0 332.363 3.304 20 30 EGEDRM CC(C)COc1ncc(C([O-])=C(C#N)c2ccncn2)cc1Cl ZINC000354468818 457243312 /nfs/dbraw/zinc/24/33/12/457243312.db2.gz PVTGXPZTRBJVJH-GFCCVEGCSA-N -1 0 330.775 3.050 20 30 EGEDRM COc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C#N)c(Cl)c1 ZINC000342443068 457306973 /nfs/dbraw/zinc/30/69/73/457306973.db2.gz GACQGEOQHSNCSU-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM CC(C)Oc1ccccc1[N-]S(=O)(=O)c1ccccc1CC#N ZINC000355868456 457426067 /nfs/dbraw/zinc/42/60/67/457426067.db2.gz OQNFGJZTUDADLK-UHFFFAOYSA-N -1 0 330.409 3.341 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2cc(C)c(N(C)C)cc2C#N)cc1 ZINC000357396793 457493127 /nfs/dbraw/zinc/49/31/27/457493127.db2.gz BYAFHTKIEMPEEX-UHFFFAOYSA-N -1 0 329.425 3.042 20 30 EGEDRM N#C[C@H]1CC[C@@H](NC(=O)c2cc(Br)cc(Cl)c2[O-])C1 ZINC000425326514 457499175 /nfs/dbraw/zinc/49/91/75/457499175.db2.gz PWUZXQPEZIPYSF-IONNQARKSA-N -1 0 343.608 3.230 20 30 EGEDRM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(C#N)c(F)c1 ZINC000357460911 457543022 /nfs/dbraw/zinc/54/30/22/457543022.db2.gz AANLCIZFGWNPBL-UHFFFAOYSA-N -1 0 340.763 3.160 20 30 EGEDRM Cc1cccc(F)c1S(=O)(=O)[N-]c1cc(C)c(N(C)C)cc1C#N ZINC000357472786 457549919 /nfs/dbraw/zinc/54/99/19/457549919.db2.gz KRLSQKCXVMTFNW-UHFFFAOYSA-N -1 0 347.415 3.181 20 30 EGEDRM COC(=O)c1ccc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)cc1 ZINC000362140588 458034639 /nfs/dbraw/zinc/03/46/39/458034639.db2.gz UIPCWFKKBLXCOT-CYBMUJFWSA-N -1 0 348.280 3.377 20 30 EGEDRM N#C[C@H](C(=O)c1cccc([N+](=O)[O-])c1)c1cc(C(F)(F)F)ccn1 ZINC000362192463 458040816 /nfs/dbraw/zinc/04/08/16/458040816.db2.gz SPQPNALZQXIDJQ-LBPRGKRZSA-N -1 0 335.241 3.499 20 30 EGEDRM CCCc1c(C([O-])=C(C#N)c2ccncn2)cnn1-c1ccccc1C ZINC000429279288 458304732 /nfs/dbraw/zinc/30/47/32/458304732.db2.gz KYRFYYAGQPPMES-HNNXBMFYSA-N -1 0 345.406 3.413 20 30 EGEDRM CCCc1c([N-]S(=O)(=O)[C@H](C#N)CC)cnn1-c1ccc(C)cc1 ZINC000416959247 458358609 /nfs/dbraw/zinc/35/86/09/458358609.db2.gz MYHJNMLYCPPBMB-HNNXBMFYSA-N -1 0 346.456 3.177 20 30 EGEDRM CCOc1cc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)cc(Cl)c1O ZINC000436968384 458413926 /nfs/dbraw/zinc/41/39/26/458413926.db2.gz UBVBAAATQWHARU-UITAMQMPSA-N -1 0 345.786 3.268 20 30 EGEDRM C=CCCO[C@@H](C)C(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000449002520 458417962 /nfs/dbraw/zinc/41/79/62/458417962.db2.gz MUUNSPXFUPFDLU-TVQRCGJNSA-N -1 0 346.210 3.217 20 30 EGEDRM C[C@H]1C[C@]1(C#N)C(=O)Nc1cc(Cl)cc(Br)c1[O-] ZINC000450049106 458438247 /nfs/dbraw/zinc/43/82/47/458438247.db2.gz YCBDPTRROMCQKE-PWCHPLFNSA-N -1 0 329.581 3.296 20 30 EGEDRM C=CC1CCN(C(=O)N=c2[n-]nc(-c3ccccc3OC)s2)CC1 ZINC000455808869 458616878 /nfs/dbraw/zinc/61/68/78/458616878.db2.gz IBTFLZQOTIISEK-UHFFFAOYSA-N -1 0 344.440 3.066 20 30 EGEDRM C=C[C@@H](CC(=O)N[C@H](C(=O)[O-])c1ccc(OC)cc1)c1ccccc1 ZINC000431800566 458626959 /nfs/dbraw/zinc/62/69/59/458626959.db2.gz PJKKSBBGTJBRHE-LIRRHRJNSA-N -1 0 339.391 3.297 20 30 EGEDRM Cc1ncc(C([O-])=C(C#N)c2cnc3ccccc3n2)c(C2CC2)n1 ZINC000546678776 458657473 /nfs/dbraw/zinc/65/74/73/458657473.db2.gz CQEWLICLSFOTKN-CYBMUJFWSA-N -1 0 329.363 3.096 20 30 EGEDRM C=C[C@H](C)NC(=O)N=c1[n-]nc(-c2ccc(Cl)cc2F)s1 ZINC000471315448 458689294 /nfs/dbraw/zinc/68/92/94/458689294.db2.gz RJYMARQROVKCJJ-ZETCQYMHSA-N -1 0 326.784 3.116 20 30 EGEDRM CC(C)n1c(=N)[n-]nc1SCc1ccc(C#N)cc1OC(F)F ZINC000439548581 458723917 /nfs/dbraw/zinc/72/39/17/458723917.db2.gz YGUKZGXBEAZMPG-UHFFFAOYSA-N -1 0 339.371 3.037 20 30 EGEDRM COC(=O)Nc1ccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])cc1F ZINC000495123573 458803108 /nfs/dbraw/zinc/80/31/08/458803108.db2.gz OKCQQGGQLFUNOV-UHFFFAOYSA-N -1 0 333.275 3.368 20 30 EGEDRM CC(C)(C)c1ncc(C([O-])=C(C#N)c2cnc3ccccc3n2)cn1 ZINC000515090494 458805848 /nfs/dbraw/zinc/80/58/48/458805848.db2.gz RYCGRKPCUOPWKE-CYBMUJFWSA-N -1 0 331.379 3.207 20 30 EGEDRM CC(C)Oc1cc(F)ccc1[N-]S(=O)(=O)c1ccccc1CC#N ZINC000475792548 458965961 /nfs/dbraw/zinc/96/59/61/458965961.db2.gz QKOQOZCXJPEBQX-UHFFFAOYSA-N -1 0 348.399 3.480 20 30 EGEDRM O=C([O-])[C@@H]1CCCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)C1 ZINC000566689318 458984850 /nfs/dbraw/zinc/98/48/50/458984850.db2.gz FBXWQXAYLAHXGK-LJQANCHMSA-N -1 0 333.387 3.023 20 30 EGEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]c2ccc3ccoc3c2)c(F)c1 ZINC000442820853 459044112 /nfs/dbraw/zinc/04/41/12/459044112.db2.gz AMLZMLZHNCQNEC-UHFFFAOYSA-N -1 0 334.303 3.383 20 30 EGEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(OCCC(C)C)cc1F ZINC000594465167 459054976 /nfs/dbraw/zinc/05/49/76/459054976.db2.gz XEBFOSIOTWYCGH-CYBMUJFWSA-N -1 0 328.409 3.294 20 30 EGEDRM C[C@H](NC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1ccc(C#N)cc1 ZINC000594522946 459079384 /nfs/dbraw/zinc/07/93/84/459079384.db2.gz MOAUVXIGNJVYSW-GVAFMPQTSA-N -1 0 343.427 3.054 20 30 EGEDRM CC(C)(CCC#N)CNC(=O)N=c1[n-]nc(/C=C\c2ccco2)s1 ZINC000479105554 459122547 /nfs/dbraw/zinc/12/25/47/459122547.db2.gz MKJDJNFPJDGMTD-SREVYHEPSA-N -1 0 345.428 3.175 20 30 EGEDRM Cc1c(C([O-])=C(C#N)c2nc3ccccc3o2)nnn1CC1CCCC1 ZINC000521172595 459125556 /nfs/dbraw/zinc/12/55/56/459125556.db2.gz CRNOBWURWVLXLP-CQSZACIVSA-N -1 0 349.394 3.408 20 30 EGEDRM CCc1cc(C#N)c([N-]S(=O)(=O)C[C@H](OC)C2CCCC2)s1 ZINC000594729048 459143903 /nfs/dbraw/zinc/14/39/03/459143903.db2.gz UHXHJXXUUWZWIF-AWEZNQCLSA-N -1 0 342.486 3.129 20 30 EGEDRM C=C[C@@H](C)O[N-]C(=O)[C@@](C)(NC(=O)OC(C)(C)C)c1ccccc1 ZINC000496522871 459225831 /nfs/dbraw/zinc/22/58/31/459225831.db2.gz FGJVJDLXOJSBAN-ACJLOTCBSA-N -1 0 334.416 3.049 20 30 EGEDRM C=CC[C@@H](C)NC(=O)N=c1[n-]nc(C(C)(C)c2ccccc2)s1 ZINC000522654208 459254893 /nfs/dbraw/zinc/25/48/93/459254893.db2.gz MYJCGCDBXVIFJT-GFCCVEGCSA-N -1 0 330.457 3.372 20 30 EGEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(F)cc1OC1CCCC1 ZINC000591339150 459356599 /nfs/dbraw/zinc/35/65/99/459356599.db2.gz PXUKKLVGJRMXFE-CYBMUJFWSA-N -1 0 326.393 3.191 20 30 EGEDRM C=CCC[C@H](NC(=O)Nc1ccc(OC2CCC2)c(F)c1)C(=O)[O-] ZINC000560486008 459357485 /nfs/dbraw/zinc/35/74/85/459357485.db2.gz HGESOVUQRLMTIV-AWEZNQCLSA-N -1 0 336.363 3.298 20 30 EGEDRM O=C([O-])[C@H]1CCCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)C1 ZINC000540674491 459383178 /nfs/dbraw/zinc/38/31/78/459383178.db2.gz FBXWQXAYLAHXGK-IBGZPJMESA-N -1 0 333.387 3.023 20 30 EGEDRM C=CCCC(=O)N=c1ccc(-c2ccc(Br)s2)n[n-]1 ZINC000484590771 459421329 /nfs/dbraw/zinc/42/13/29/459421329.db2.gz OJZBVKDXZHZSHB-UHFFFAOYSA-N -1 0 338.230 3.294 20 30 EGEDRM COC(=O)c1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)s1 ZINC000592399829 459593985 /nfs/dbraw/zinc/59/39/85/459593985.db2.gz WIDZLKWCOPZVBY-VIFPVBQESA-N -1 0 332.406 3.359 20 30 EGEDRM CC#CCCNC(=O)N=c1[n-]nc([C@H](CC)c2ccccc2)s1 ZINC000544572421 459768561 /nfs/dbraw/zinc/76/85/61/459768561.db2.gz JQBYMZHTYCKIJA-CQSZACIVSA-N -1 0 328.441 3.037 20 30 EGEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)c1ccc(C)c(Cl)c1 ZINC000545999794 459885011 /nfs/dbraw/zinc/88/50/11/459885011.db2.gz YWGAMCYUNTWVJH-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)CC1(C#N)CCCCC1 ZINC000597610753 460006745 /nfs/dbraw/zinc/00/67/45/460006745.db2.gz NLUWHNAXPSOAFT-UHFFFAOYSA-N -1 0 339.399 3.288 20 30 EGEDRM Cc1ccc2nc([N-]S(=O)(=O)c3cccc(CC#N)c3)sc2c1 ZINC000589585864 460105679 /nfs/dbraw/zinc/10/56/79/460105679.db2.gz OHKXUWZVQRFGEV-UHFFFAOYSA-N -1 0 343.433 3.472 20 30 EGEDRM CCCCCc1n[n-]c(=NC(=O)N[C@@H](C)c2cccc(C#N)c2)s1 ZINC000610317787 460118673 /nfs/dbraw/zinc/11/86/73/460118673.db2.gz YUHAZOAFCLIVSK-LBPRGKRZSA-N -1 0 343.456 3.447 20 30 EGEDRM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(OC)c1 ZINC000610336075 460122565 /nfs/dbraw/zinc/12/25/65/460122565.db2.gz LBVWFWMBVPEIHQ-UHFFFAOYSA-N -1 0 345.424 3.190 20 30 EGEDRM N#C[C@]1(NC(=O)c2cc(Cl)c3ccccc3c2[O-])CCSC1 ZINC000610573175 460186104 /nfs/dbraw/zinc/18/61/04/460186104.db2.gz ONEQMZUWMRFIFN-MRXNPFEDSA-N -1 0 332.812 3.328 20 30 EGEDRM Cc1n[nH]c(C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1[O-] ZINC000611899305 460486055 /nfs/dbraw/zinc/48/60/55/460486055.db2.gz NUASUAPNUGPXSU-LBPRGKRZSA-N -1 0 346.390 3.453 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2coc(SC)c2)n1 ZINC000601727886 460885367 /nfs/dbraw/zinc/88/53/67/460885367.db2.gz HIMXPSOKFIVCAA-VIFPVBQESA-N -1 0 336.394 3.125 20 30 EGEDRM COc1ccc(-n2[n-]c(C)c(CCC#N)c2=O)c(C(F)(F)F)c1 ZINC000601951242 460958557 /nfs/dbraw/zinc/95/85/57/460958557.db2.gz VLCOZQOALLGNEU-NSHDSACASA-N -1 0 325.290 3.356 20 30 EGEDRM C[C@@H]1CCc2sc(NC(=O)CSCC(=O)[O-])c(C#N)c2[C@@H]1C ZINC000601989207 460973593 /nfs/dbraw/zinc/97/35/93/460973593.db2.gz FPKGUJQKEAISNW-RKDXNWHRSA-N -1 0 338.454 3.062 20 30 EGEDRM C[C@@H](S[C@@H](C)C(=O)Nc1scc(C(C)(C)C)c1C#N)C(=O)[O-] ZINC000601994346 460977087 /nfs/dbraw/zinc/97/70/87/460977087.db2.gz QLATWHLBIFWEHO-DTWKUNHWSA-N -1 0 340.470 3.451 20 30 EGEDRM C=CCC[C@H](NC(=O)C1(c2cc(F)cc(F)c2)CCCC1)C(=O)[O-] ZINC000630183254 461053341 /nfs/dbraw/zinc/05/33/41/461053341.db2.gz VCXHWHCKJKCVKO-HNNXBMFYSA-N -1 0 337.366 3.312 20 30 EGEDRM C=C(C)CN(Cc1ccccc1)C(=O)c1c(C)coc1CC(=O)[O-] ZINC000630293615 461086863 /nfs/dbraw/zinc/08/68/63/461086863.db2.gz YPCNCQPYOSRIDZ-UHFFFAOYSA-N -1 0 327.380 3.434 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)[C@H](C)c1ccc(Br)s1)C(=O)[O-] ZINC000630325825 461095319 /nfs/dbraw/zinc/09/53/19/461095319.db2.gz MJEKWCDDAOUTMP-RKDXNWHRSA-N -1 0 346.246 3.150 20 30 EGEDRM C=CC1CCN(C(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])CC1 ZINC000668568489 461335066 /nfs/dbraw/zinc/33/50/66/461335066.db2.gz BMIHBPBDJUVHIC-UHFFFAOYSA-N -1 0 331.803 3.270 20 30 EGEDRM C=C(C)C[C@@H](C)C(=O)N[C@H](CC(=O)[O-])Cc1cc(F)c(F)cc1F ZINC000666370662 461598182 /nfs/dbraw/zinc/59/81/82/461598182.db2.gz PCYOLXZTXONVMN-PWSUYJOCSA-N -1 0 343.345 3.208 20 30 EGEDRM Cn1cc(C([O-])=C(C#N)c2nc(C3CC3)cs2)c(-c2ccncc2)n1 ZINC000647378800 461668520 /nfs/dbraw/zinc/66/85/20/461668520.db2.gz BLVJURHEHWFXRW-CYBMUJFWSA-N -1 0 349.419 3.306 20 30 EGEDRM C=CCC[C@H](NC(=O)N[C@H]1CCSc2ccc(F)cc21)C(=O)[O-] ZINC000654793840 462385086 /nfs/dbraw/zinc/38/50/86/462385086.db2.gz MUMCZQROJXCLQC-STQMWFEESA-N -1 0 338.404 3.081 20 30 EGEDRM C=CCC1(C(=O)N2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)CCC1 ZINC000649358574 462486601 /nfs/dbraw/zinc/48/66/01/462486601.db2.gz ZSCITFJPHRSLCY-UHFFFAOYSA-N -1 0 338.407 3.497 20 30 EGEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1c(C)cccc1F ZINC000186968984 535696817 /nfs/dbraw/zinc/69/68/17/535696817.db2.gz MUAODXILNJOLBA-UHFFFAOYSA-N -1 0 334.372 3.205 20 30 EGEDRM C=CCOc1ccccc1CNC(=O)c1ccc(C(=O)[O-])cc1F ZINC000358613649 547746557 /nfs/dbraw/zinc/74/65/57/547746557.db2.gz RXYRXJDLRWLNCL-UHFFFAOYSA-N -1 0 329.327 3.019 20 30 EGEDRM C=CCCO[C@H](C)C(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC000676019588 549021494 /nfs/dbraw/zinc/02/14/94/549021494.db2.gz YZILGKZPTWQALI-LLVKDONJSA-N -1 0 333.409 3.197 20 30 EGEDRM Cn1c2cccc(C([O-])=C(C#N)c3ccc4ccccc4n3)c2oc1=O ZINC000677467991 549274604 /nfs/dbraw/zinc/27/46/04/549274604.db2.gz VJOIYVGKWMWHJF-CQSZACIVSA-N -1 0 343.342 3.170 20 30 EGEDRM C=C[C@H](CC(=O)N[C@H](C(=O)[O-])c1ccccc1F)c1ccccc1 ZINC000683319656 550217500 /nfs/dbraw/zinc/21/75/00/550217500.db2.gz RHKFABQOIWMMCV-ACJLOTCBSA-N -1 0 327.355 3.428 20 30 EGEDRM C=CCOc1cc(OC)ccc1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000683329734 550218674 /nfs/dbraw/zinc/21/86/74/550218674.db2.gz CELJPEJTJYLJFI-UHFFFAOYSA-N -1 0 333.365 3.272 20 30 EGEDRM CCOc1cnc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)cn1 ZINC000684675794 550354413 /nfs/dbraw/zinc/35/44/13/550354413.db2.gz ORCZUSVULHJPKM-SNVBAGLBSA-N -1 0 330.413 3.119 20 30 EGEDRM C=CCOc1cccc(NC(=O)N[C@H](C(=O)[O-])c2ccccc2F)c1 ZINC000684747125 550364427 /nfs/dbraw/zinc/36/44/27/550364427.db2.gz OQMWTBVPSJQZSU-INIZCTEOSA-N -1 0 344.342 3.338 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1sc(CC(C)C)nc1C ZINC000727954243 574706228 /nfs/dbraw/zinc/70/62/28/574706228.db2.gz XNITZBGHSDFUKF-ZDUSSCGKSA-N -1 0 335.473 3.279 20 30 EGEDRM Cc1c(C(=O)[O-])oc2c1C(=NNc1ccnc3ccccc31)CCC2 ZINC000730148606 574925944 /nfs/dbraw/zinc/92/59/44/574925944.db2.gz YXGSRDAAZQCRRA-UHFFFAOYSA-N -1 0 335.363 3.409 20 30 EGEDRM CCc1cccc2c1NC(=O)C2=N[N-]c1oc(CC(C)C)nc1C#N ZINC000733076448 575305562 /nfs/dbraw/zinc/30/55/62/575305562.db2.gz QAXGQJILCWNJAQ-UHFFFAOYSA-N -1 0 337.383 3.075 20 30 EGEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1ccc(Oc2ccccc2)nc1 ZINC000733680645 575379897 /nfs/dbraw/zinc/37/98/97/575379897.db2.gz AOLDLDRTWZEGFR-KRWDZBQOSA-N -1 0 349.390 3.255 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@H](C)CC2CCCC2)n1 ZINC000734052984 575431280 /nfs/dbraw/zinc/43/12/80/575431280.db2.gz BCCXXUYZDSWZRU-BXUZGUMPSA-N -1 0 334.441 3.387 20 30 EGEDRM O=C([O-])c1ccccc1COc1cccc(CN=Nc2cccnn2)c1 ZINC000735977476 575746332 /nfs/dbraw/zinc/74/63/32/575746332.db2.gz ZNRFMWMOBJWBHN-UHFFFAOYSA-N -1 0 348.362 3.200 20 30 EGEDRM C#CCOc1cccc(NC(=O)N[C@H](CC(=O)[O-])c2ccccc2)c1 ZINC000736090264 575898174 /nfs/dbraw/zinc/89/81/74/575898174.db2.gz XZCWIUSGMKLVHE-QGZVFWFLSA-N -1 0 338.363 3.036 20 30 EGEDRM C#CCOc1cccc([C@H](C)OC(=O)c2ccc(C(=O)[O-])s2)c1 ZINC000736089082 575898250 /nfs/dbraw/zinc/89/82/50/575898250.db2.gz GGLQUHWJSJEGNG-NSHDSACASA-N -1 0 330.361 3.376 20 30 EGEDRM C=CCCCCCN(C)S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000736097400 575899095 /nfs/dbraw/zinc/89/90/95/575899095.db2.gz KNMKCSNJAWYJEE-UHFFFAOYSA-N -1 0 325.430 3.060 20 30 EGEDRM C=CC[C@@H](C)NC(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC000736097207 575899199 /nfs/dbraw/zinc/89/91/99/575899199.db2.gz XXJDGZUAAYEZDU-SECBINFHSA-N -1 0 346.305 3.412 20 30 EGEDRM C=CCOc1ccccc1CNC(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000736113986 575900155 /nfs/dbraw/zinc/90/01/55/575900155.db2.gz IUARDUBVNCNMQU-UHFFFAOYSA-N -1 0 340.379 3.200 20 30 EGEDRM C=CCn1c(C)cc(C(=O)CN2Cc3ccc(C(=O)[O-])cc3C2)c1C ZINC000736118562 575901302 /nfs/dbraw/zinc/90/13/02/575901302.db2.gz WAZUVOAZFMXNCK-UHFFFAOYSA-N -1 0 338.407 3.188 20 30 EGEDRM Cc1c2cc(C(C)N=Nc3ccc(C)nn3)cnc2sc1C(=O)[O-] ZINC000736124998 575902816 /nfs/dbraw/zinc/90/28/16/575902816.db2.gz FTJIMHYWRRMGTN-UHFFFAOYSA-N -1 0 341.396 3.237 20 30 EGEDRM C[C@@H](C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccccc1F ZINC000736225866 575916971 /nfs/dbraw/zinc/91/69/71/575916971.db2.gz AHEYJBLHLYXMRG-BZNIZROVSA-N -1 0 327.311 3.170 20 30 EGEDRM CC(C)(CC(=O)[O-])NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000736311370 575932442 /nfs/dbraw/zinc/93/24/42/575932442.db2.gz RPLNQDLHVBDGLJ-UHFFFAOYSA-N -1 0 338.363 3.334 20 30 EGEDRM CC(C)[C@@H](NC(=O)[O-])C(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1 ZINC000736386520 575948176 /nfs/dbraw/zinc/94/81/76/575948176.db2.gz XLWZIRZWYQXEEH-QGZVFWFLSA-N -1 0 338.363 3.423 20 30 EGEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000736486018 575971158 /nfs/dbraw/zinc/97/11/58/575971158.db2.gz IQPLUKUEHGPRTQ-ZIAGYGMSSA-N -1 0 330.384 3.175 20 30 EGEDRM C[C@@H](CC(=O)[O-])SCCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000736552206 575983205 /nfs/dbraw/zinc/98/32/05/575983205.db2.gz KDUUZFLIPXKEEH-VIFPVBQESA-N -1 0 326.805 3.137 20 30 EGEDRM C[C@@H](OC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1cccc(C#N)c1 ZINC000736689068 576006097 /nfs/dbraw/zinc/00/60/97/576006097.db2.gz IGDNZRPWWKUITK-SNVBAGLBSA-N -1 0 340.291 3.083 20 30 EGEDRM C[C@@H](Sc1ccccc1C#N)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000736711571 576011340 /nfs/dbraw/zinc/01/13/40/576011340.db2.gz CQEZOHWUOBAVRC-GFCCVEGCSA-N -1 0 340.404 3.053 20 30 EGEDRM CC[C@@H](C(=O)[O-])N(C(=O)c1ccccc1OCC#N)c1ccccc1 ZINC000736851243 576048256 /nfs/dbraw/zinc/04/82/56/576048256.db2.gz NNFIVXAFMGHZTH-INIZCTEOSA-N -1 0 338.363 3.099 20 30 EGEDRM CCOC(=O)Nc1ccc(N[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000737146496 576124290 /nfs/dbraw/zinc/12/42/90/576124290.db2.gz MHQLXWREJNMVEB-INIZCTEOSA-N -1 0 339.351 3.364 20 30 EGEDRM CCc1c(C)sc(NC(=O)c2cccc(OCC(=O)[O-])c2)c1C#N ZINC000737251894 576149342 /nfs/dbraw/zinc/14/93/42/576149342.db2.gz ZGZZGFVNVAEZRP-UHFFFAOYSA-N -1 0 344.392 3.206 20 30 EGEDRM CN(CCCC(=O)N[C@H](C#N)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000737416880 576224445 /nfs/dbraw/zinc/22/44/45/576224445.db2.gz BIXZFELSUNBFSO-LLVKDONJSA-N -1 0 344.198 3.064 20 30 EGEDRM N#CCn1c(C(=O)Nc2cccc(CC(=O)[O-])c2)cc2ccccc21 ZINC000738425552 576324112 /nfs/dbraw/zinc/32/41/12/576324112.db2.gz NQZIFPGYLPJYMO-UHFFFAOYSA-N -1 0 333.347 3.044 20 30 EGEDRM Cc1ccc2c(c1)[nH]cc2C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000738667211 576348418 /nfs/dbraw/zinc/34/84/18/576348418.db2.gz GQXDQAIYJUXFAL-QGZVFWFLSA-N -1 0 334.331 3.331 20 30 EGEDRM Cc1ccccc1[C@@H]1CN([C@H](C(=O)[O-])c2ccc(C#N)cc2)CCO1 ZINC000738769448 576360255 /nfs/dbraw/zinc/36/02/55/576360255.db2.gz PSWWQHOTVDJLLK-OALUTQOASA-N -1 0 336.391 3.066 20 30 EGEDRM Cc1oc(C(=O)[O-])cc1Cn1cc(C#N)c(=O)c2cc(Cl)ccc21 ZINC000738965643 576371016 /nfs/dbraw/zinc/37/10/16/576371016.db2.gz GSBUHVDJEUXRMZ-UHFFFAOYSA-N -1 0 342.738 3.175 20 30 EGEDRM N#C[C@H](NC(=O)CCc1ccc(C(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000739076307 576377038 /nfs/dbraw/zinc/37/70/38/576377038.db2.gz ZLPSZLMXBNBCQH-INIZCTEOSA-N -1 0 342.782 3.352 20 30 EGEDRM N#Cc1cc(NC(=O)N[C@@H](CC(=O)[O-])c2cccs2)ccc1F ZINC000739099214 576377867 /nfs/dbraw/zinc/37/78/67/576377867.db2.gz QJTXLFXRHRRQNP-LBPRGKRZSA-N -1 0 333.344 3.096 20 30 EGEDRM N#Cc1ccc([C@@H](OC(=O)/C=C\c2cccc(F)c2)C(=O)[O-])cc1 ZINC000739111181 576378486 /nfs/dbraw/zinc/37/84/86/576378486.db2.gz VAPRCLWDQUQWGE-UXHZXRBQSA-N -1 0 325.295 3.080 20 30 EGEDRM N#Cc1ccc([C@@H](OC(=O)CCc2cc(F)ccc2F)C(=O)[O-])cc1 ZINC000739109895 576378492 /nfs/dbraw/zinc/37/84/92/576378492.db2.gz OCMTVQDXMRZYRP-QGZVFWFLSA-N -1 0 345.301 3.138 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)/C=C\c2ccccc2F)C(=O)[O-])cc1 ZINC000739112367 576378536 /nfs/dbraw/zinc/37/85/36/576378536.db2.gz ZDSXIBOIWOGEFK-IBSYWUHOSA-N -1 0 325.295 3.080 20 30 EGEDRM N#Cc1ccc([C@@H](OC(=O)c2cccc(C(F)F)c2)C(=O)[O-])cc1 ZINC000739114506 576378717 /nfs/dbraw/zinc/37/87/17/576378717.db2.gz HLVMDQSULZCIAY-CQSZACIVSA-N -1 0 331.274 3.479 20 30 EGEDRM N#Cc1ccc(CCC(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)cc1 ZINC000739116987 576378810 /nfs/dbraw/zinc/37/88/10/576378810.db2.gz HAPFFFUXAVBWAU-INIZCTEOSA-N -1 0 334.375 3.096 20 30 EGEDRM N#Cc1ccccc1NC(=S)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000739146614 576379735 /nfs/dbraw/zinc/37/97/35/576379735.db2.gz IRVFKJSRSXHAFS-CYBMUJFWSA-N -1 0 337.404 3.334 20 30 EGEDRM COc1ccc(N=Cc2c(O)ccc3ccccc23)cc1-n1cnnn1 ZINC000741463797 576688427 /nfs/dbraw/zinc/68/84/27/576688427.db2.gz ILCUJOYUIZKISV-UHFFFAOYSA-N -1 0 345.362 3.280 20 30 EGEDRM C[C@@H](Oc1cccc(/C=C2/CCc3c(O)cccc3C2=O)c1)C(=O)[O-] ZINC000742434444 576784089 /nfs/dbraw/zinc/78/40/89/576784089.db2.gz HJNUYTSRMOPJBS-XTCQQWIJSA-N -1 0 338.359 3.457 20 30 EGEDRM CCO[C@@H](C)c1ncc(C([O-])=C(C#N)C(=O)Nc2ccccc2)s1 ZINC000744029769 576819148 /nfs/dbraw/zinc/81/91/48/576819148.db2.gz VINBGATYXWSXKI-AAEUAGOBSA-N -1 0 343.408 3.202 20 30 EGEDRM Cc1ccc(F)c(NC(=S)NN=Cc2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000745005351 576838303 /nfs/dbraw/zinc/83/83/03/576838303.db2.gz CNIIVQZIQMAKBV-UHFFFAOYSA-N -1 0 348.359 3.068 20 30 EGEDRM C[C@@H](Oc1cccc(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)c1)C(=O)[O-] ZINC000745021917 576838692 /nfs/dbraw/zinc/83/86/92/576838692.db2.gz UVZMQVREJXRJSH-JLVNDZCYSA-N -1 0 341.319 3.343 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1CC=C(c2cccc3ccccc32)CC1 ZINC000819810878 597639187 /nfs/dbraw/zinc/63/91/87/597639187.db2.gz HCJHDEKTLPTKJL-OAQYLSRUSA-N -1 0 348.402 3.460 20 30 EGEDRM N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H]2C(=O)[O-])cc1 ZINC000821319956 598206115 /nfs/dbraw/zinc/20/61/15/598206115.db2.gz CSTRHXSBAFTTGO-QZTJIDSGSA-N -1 0 349.390 3.423 20 30 EGEDRM Cc1ccc(-c2csc(NC(=O)[C@](C)(C#N)CC(=O)[O-])n2)cc1C ZINC000821052947 598221980 /nfs/dbraw/zinc/22/19/80/598221980.db2.gz ZFPGZGIBAZSZNP-KRWDZBQOSA-N -1 0 343.408 3.370 20 30 EGEDRM Cc1ccc(-c2csc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])n2)c(C)c1 ZINC000821051935 598222492 /nfs/dbraw/zinc/22/24/92/598222492.db2.gz DKNFZDTYUDVMBR-QGZVFWFLSA-N -1 0 343.408 3.370 20 30 EGEDRM Cc1csc(-c2ccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])cc2)n1 ZINC000821147166 598226229 /nfs/dbraw/zinc/22/62/29/598226229.db2.gz XSXAZPHBLQCCPV-MRXNPFEDSA-N -1 0 329.381 3.062 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000819856954 598228661 /nfs/dbraw/zinc/22/86/61/598228661.db2.gz PSPHAPBEFJEKPA-QGZVFWFLSA-N -1 0 334.347 3.090 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NCCc1ccc(-c2ccccc2)cc1 ZINC000819842007 598230689 /nfs/dbraw/zinc/23/06/89/598230689.db2.gz HMWVIIJCAQRSFJ-HXUWFJFHSA-N -1 0 336.391 3.017 20 30 EGEDRM C[C@H](NC(=O)Cn1cc(C(=O)[O-])c2ccccc21)c1cccc(C#N)c1 ZINC000827637694 600790921 /nfs/dbraw/zinc/79/09/21/600790921.db2.gz VLVLHCSDBDBUDC-ZDUSSCGKSA-N -1 0 347.374 3.089 20 30 EGEDRM N#Cc1ccccc1S[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000833076287 600807368 /nfs/dbraw/zinc/80/73/68/600807368.db2.gz ARYOGMRICNNJHB-CYBMUJFWSA-N -1 0 344.417 3.216 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)CCC1CCOCC1 ZINC000825702040 600966470 /nfs/dbraw/zinc/96/64/70/600966470.db2.gz ABLOYPALLIVFQI-UHFFFAOYSA-N -1 0 348.395 3.234 20 30 EGEDRM C[C@H](NC(=O)Nc1ccc(C(=O)[O-])cc1F)c1cccc(C#N)c1 ZINC000820129134 601044684 /nfs/dbraw/zinc/04/46/84/601044684.db2.gz GTYHAKVIXGSGSH-JTQLQIEISA-N -1 0 327.315 3.278 20 30 EGEDRM N#Cc1ccc(C(=O)N2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])cc1 ZINC000833070428 601085402 /nfs/dbraw/zinc/08/54/02/601085402.db2.gz FZKYNJMJBWKQNN-SJORKVTESA-N -1 0 326.396 3.054 20 30 EGEDRM CCCNc1ccc(C#N)cc1NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000829519555 601211208 /nfs/dbraw/zinc/21/12/08/601211208.db2.gz MUPCCUAZKPNTMY-UONOGXRCSA-N -1 0 329.400 3.210 20 30 EGEDRM N#Cc1ccc(C(=O)N2C[C@@H](C3CCCCC3)C[C@H]2C(=O)[O-])s1 ZINC000833070418 601288003 /nfs/dbraw/zinc/28/80/03/601288003.db2.gz FORPDNBTPCGPGN-JSGCOSHPSA-N -1 0 332.425 3.115 20 30 EGEDRM N#Cc1ccc(NC(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)cc1 ZINC000833073444 601299867 /nfs/dbraw/zinc/29/98/67/601299867.db2.gz NXHVOULUSOCJHB-OAHLLOKOSA-N -1 0 327.315 3.035 20 30 EGEDRM N#Cc1cccc([C@@H](Nc2ccc3c(c2)OC(F)(F)O3)C(=O)[O-])c1 ZINC000833076560 601300006 /nfs/dbraw/zinc/30/00/06/601300006.db2.gz WVYPRXZMJOSTEO-CQSZACIVSA-N -1 0 332.262 3.118 20 30 EGEDRM COC(=O)[C@@H](Nc1ccc(F)c(NC(=O)[O-])c1)c1cccc(C#N)c1 ZINC000831083770 601303973 /nfs/dbraw/zinc/30/39/73/601303973.db2.gz BVNBTRLPHMRXFM-HNNXBMFYSA-N -1 0 343.314 3.113 20 30 EGEDRM COc1cc(OC)c(C(=O)/C=C\c2ccc(C(=O)[O-])[nH]2)cc1Cl ZINC000832030504 601330734 /nfs/dbraw/zinc/33/07/34/601330734.db2.gz UFIJKLWZEYRAJD-XQRVVYSFSA-N -1 0 335.743 3.280 20 30 EGEDRM CC(C)Oc1ccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000827048487 601343155 /nfs/dbraw/zinc/34/31/55/601343155.db2.gz PJNUIZKTLBRIHL-QGZVFWFLSA-N -1 0 339.347 3.328 20 30 EGEDRM Cc1ccc2[nH]c(C(=O)O[C@@H](C(=O)[O-])c3cccc(C#N)c3)cc2c1 ZINC000832958786 601346145 /nfs/dbraw/zinc/34/61/45/601346145.db2.gz ISGYERWEJLEWOV-QGZVFWFLSA-N -1 0 334.331 3.331 20 30 EGEDRM C[C@H](C#N)CSc1ccccc1NC(=O)CS[C@@H](C)C(=O)[O-] ZINC000825967660 601346627 /nfs/dbraw/zinc/34/66/27/601346627.db2.gz YAXHCALMNRCALW-MNOVXSKESA-N -1 0 338.454 3.083 20 30 EGEDRM CCCc1ccc(N)c(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000829566109 601349051 /nfs/dbraw/zinc/34/90/51/601349051.db2.gz FGKMRXSVSKAZIV-KRWDZBQOSA-N -1 0 338.363 3.076 20 30 EGEDRM C[C@H](Cc1cccc(F)c1)C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000827586113 601350808 /nfs/dbraw/zinc/35/08/08/601350808.db2.gz GPKPAYXKSBUEFP-SJKOYZFVSA-N -1 0 341.338 3.245 20 30 EGEDRM CCO[C@@H](C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1ccccc1 ZINC000829901566 601350965 /nfs/dbraw/zinc/35/09/65/601350965.db2.gz PAMNVOQZZXDSGW-IAGOWNOFSA-N -1 0 339.347 3.005 20 30 EGEDRM N#Cc1cccc([C@H](OC(=O)c2cc3cc(F)ccc3o2)C(=O)[O-])c1 ZINC000833077604 601354095 /nfs/dbraw/zinc/35/40/95/601354095.db2.gz XHVWZSUIIXSCAW-INIZCTEOSA-N -1 0 339.278 3.426 20 30 EGEDRM C=CCN(Cc1cccc(C#N)c1)Cn1nc(C(=O)[O-])c2ccccc21 ZINC000825681561 601397914 /nfs/dbraw/zinc/39/79/14/601397914.db2.gz BVPMEWBVLLQBFU-UHFFFAOYSA-N -1 0 346.390 3.252 20 30 EGEDRM Cc1nc(CCCC(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)cs1 ZINC000832998097 601476129 /nfs/dbraw/zinc/47/61/29/601476129.db2.gz KDDGJMUHQHNFOZ-INIZCTEOSA-N -1 0 344.392 3.015 20 30 EGEDRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)Nc1ccc(CC#N)cc1)c1ccccc1 ZINC000826039181 601616218 /nfs/dbraw/zinc/61/62/18/601616218.db2.gz OPAJFDXWERYPQI-CXAGYDPISA-N -1 0 337.379 3.336 20 30 EGEDRM COc1ccc(OC)c(C=NOCc2cc(C(=O)[O-])sc2C)c1 ZINC000832435684 601631022 /nfs/dbraw/zinc/63/10/22/601631022.db2.gz KXKQGARKZWOYSQ-UHFFFAOYSA-N -1 0 335.381 3.323 20 30 EGEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)NCC(C)(C)C(=O)[O-] ZINC000825966791 601756220 /nfs/dbraw/zinc/75/62/20/601756220.db2.gz NFNKWFUBESVLQV-NSHDSACASA-N -1 0 335.429 3.171 20 30 EGEDRM Cc1c(NCC(=O)N(CCC#N)c2ccccc2)cccc1C(=O)[O-] ZINC000832855988 601908255 /nfs/dbraw/zinc/90/82/55/601908255.db2.gz KXTSNCLAROERBZ-UHFFFAOYSA-N -1 0 337.379 3.052 20 30 EGEDRM N#C[C@@H](OC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1)C1CC1 ZINC000833064708 602039291 /nfs/dbraw/zinc/03/92/91/602039291.db2.gz MVQJFGYZECDHJO-LLVKDONJSA-N -1 0 328.246 3.254 20 30 EGEDRM Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](C)CC(=O)[O-] ZINC000832901235 602093885 /nfs/dbraw/zinc/09/38/85/602093885.db2.gz MGELIKVYEGIJDF-GFCCVEGCSA-N -1 0 339.351 3.103 20 30 EGEDRM C[C@@H](Oc1ccc(/C=C/C(=O)c2ccc3c(c2)CCO3)cc1)C(=O)[O-] ZINC000794700748 602108250 /nfs/dbraw/zinc/10/82/50/602108250.db2.gz YLTNKEMVTFMQHT-FLUIGGAXSA-N -1 0 338.359 3.370 20 30 EGEDRM CCC(=O)c1ccc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000828573794 602270796 /nfs/dbraw/zinc/27/07/96/602270796.db2.gz BOUKUVUJQQSXLL-QGZVFWFLSA-N -1 0 337.331 3.134 20 30 EGEDRM C=CCOc1ccc(C(=O)OC2CCC(CC(=O)[O-])CC2)cc1OC ZINC000833377944 604497050 /nfs/dbraw/zinc/49/70/50/604497050.db2.gz RQEOBLGLYAFBCU-UHFFFAOYSA-N -1 0 348.395 3.450 20 30 EGEDRM C=CCN(CC1CCCCC1)S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000833375201 604508539 /nfs/dbraw/zinc/50/85/39/604508539.db2.gz IUNHWKNHMBKLFZ-UHFFFAOYSA-N -1 0 341.429 3.043 20 30 EGEDRM C=CCC[C@@H](NC(=O)NCc1ccc(C(=O)[O-])o1)c1ccccc1 ZINC000825664744 604519488 /nfs/dbraw/zinc/51/94/88/604519488.db2.gz KBAIMDLZMFPSGE-OAHLLOKOSA-N -1 0 328.368 3.485 20 30 EGEDRM C=CCOc1ccc(C(=O)OCc2cccc(C(=O)[O-])c2C#N)cc1 ZINC000833377957 604579824 /nfs/dbraw/zinc/57/98/24/604579824.db2.gz SGXPVPHVDLNSKW-UHFFFAOYSA-N -1 0 337.331 3.178 20 30 EGEDRM C#CCN(Cc1cccc(C(=O)[O-])c1C#N)[C@H]1CCc2ccccc21 ZINC000833364199 604603572 /nfs/dbraw/zinc/60/35/72/604603572.db2.gz GXWIHSFBXVNZHT-FQEVSTJZSA-N -1 0 330.387 3.379 20 30 EGEDRM CN1CCCN(Cc2cccc(C(=O)[O-])c2C#N)c2ccc(F)cc21 ZINC000833697365 604615846 /nfs/dbraw/zinc/61/58/46/604615846.db2.gz GXRXKOBIEQZBKM-UHFFFAOYSA-N -1 0 339.370 3.242 20 30 EGEDRM N#Cc1ccc(N2CCC(Nc3cccc(C(=O)[O-])c3)CC2)c(F)c1 ZINC000833073257 604640738 /nfs/dbraw/zinc/64/07/38/604640738.db2.gz KFJZEUJZNDXIQK-UHFFFAOYSA-N -1 0 339.370 3.476 20 30 EGEDRM C#CC[C@H](NC(=O)N1CCC(CCC(=O)[O-])CC1)c1ccccc1 ZINC000833360114 604656035 /nfs/dbraw/zinc/65/60/35/604656035.db2.gz CZEHYKNZUYSQIJ-KRWDZBQOSA-N -1 0 328.412 3.037 20 30 EGEDRM CC(N=Nc1ccc(C(=O)[O-])cn1)c1ccc(F)cc1OC(F)F ZINC000763377727 604669256 /nfs/dbraw/zinc/66/92/56/604669256.db2.gz WCICGYGVKDMCJH-UHFFFAOYSA-N -1 0 339.273 3.356 20 30 EGEDRM CC(C)(C(=O)[O-])[C@H](NC(=O)c1ccc(CC#N)cc1)c1ccccc1 ZINC000833412250 604790220 /nfs/dbraw/zinc/79/02/20/604790220.db2.gz JGCXHXFZDVCHDE-QGZVFWFLSA-N -1 0 336.391 3.335 20 30 EGEDRM C=CCOc1ccc(C(=O)Nc2nc3c(cccc3C(=O)[O-])[nH]2)cc1 ZINC000833377569 604866247 /nfs/dbraw/zinc/86/62/47/604866247.db2.gz BYWRMJUVZVATFR-UHFFFAOYSA-N -1 0 337.335 3.078 20 30 EGEDRM O=C([O-])c1ccncc1C(=O)OCC#Cc1ccc(C(F)(F)F)cc1 ZINC000833334735 604869428 /nfs/dbraw/zinc/86/94/28/604869428.db2.gz IAMYRQJYYJRUGA-UHFFFAOYSA-N -1 0 349.264 3.007 20 30 EGEDRM C[C@@H](C(=O)[O-])n1cccc1C=NNc1ccccc1Br ZINC000833405266 605038798 /nfs/dbraw/zinc/03/87/98/605038798.db2.gz CHLYXRDLXUMWDE-JTQLQIEISA-N -1 0 336.189 3.342 20 30 EGEDRM C=CCCC[C@@H](C)NC(=O)Nc1ccc(C(=O)OC)c(C(=O)[O-])c1 ZINC000833374415 605076953 /nfs/dbraw/zinc/07/69/53/605076953.db2.gz ZTCTZRINGIQWMS-LLVKDONJSA-N -1 0 334.372 3.038 20 30 EGEDRM N#CCCN(CC1CC1)C(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC000833760177 605132554 /nfs/dbraw/zinc/13/25/54/605132554.db2.gz JGYXIACVEPIUAD-UHFFFAOYSA-N -1 0 347.440 3.483 20 30 EGEDRM C#CCOc1ccc(C(=O)Nc2ccc(NC(=O)[O-])c(F)c2)cc1 ZINC000833366346 605274695 /nfs/dbraw/zinc/27/46/95/605274695.db2.gz RXRGJTBURVYUHR-UHFFFAOYSA-N -1 0 328.299 3.180 20 30 EGEDRM C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(NC(=O)[O-])c(F)c1 ZINC000833537651 605275444 /nfs/dbraw/zinc/27/54/44/605275444.db2.gz NDENPEFQKNJZTL-JTQLQIEISA-N -1 0 343.314 3.193 20 30 EGEDRM CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(NC(=O)[O-])c(F)c1 ZINC000833696636 605282347 /nfs/dbraw/zinc/28/23/47/605282347.db2.gz PIBYWAREJNENGR-UHFFFAOYSA-N -1 0 342.330 3.451 20 30 EGEDRM C=C(C)CN(C)C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000833368611 605399676 /nfs/dbraw/zinc/39/96/76/605399676.db2.gz MVWYDXMYMAEYCW-UHFFFAOYSA-N -1 0 328.368 3.343 20 30 EGEDRM C#CCCCCCC(=O)N1CCN(c2ccc(C(=O)[O-])cc2)C[C@H]1C ZINC000833362044 605603079 /nfs/dbraw/zinc/60/30/79/605603079.db2.gz WUAOZHDJIAAJGO-MRXNPFEDSA-N -1 0 342.439 3.006 20 30 EGEDRM O=C([N-]S(=O)(=O)c1cccs1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000042243712 1291437222 /nfs/dbraw/zinc/43/72/22/1291437222.db2.gz MKJXLPGEFADIOL-UHFFFAOYSA-N -1 0 346.773 3.003 20 30 EGEDRM CCOc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(F)c(F)c2)cc1 ZINC000042246780 1291438044 /nfs/dbraw/zinc/43/80/44/1291438044.db2.gz IIBOKIZSIWHJEM-UHFFFAOYSA-N -1 0 341.335 3.057 20 30 EGEDRM Cc1ccc(C(C)C)c(OCC(=O)[N-]S(=O)(=O)c2cccnc2)c1 ZINC000042323821 1291440344 /nfs/dbraw/zinc/44/03/44/1291440344.db2.gz WTXWRKQGUAZRDI-UHFFFAOYSA-N -1 0 348.424 3.238 20 30 EGEDRM COc1cccc(CC(=O)[N-]S(=O)(=O)C=Cc2ccccc2)c1 ZINC000042320870 1291440354 /nfs/dbraw/zinc/44/03/54/1291440354.db2.gz HZRSDULTVIERLL-ZHACJKMWSA-N -1 0 331.393 3.195 20 30 EGEDRM Cc1ccc(C(=O)[N-]S(=O)(=O)Cc2ccc(F)cc2)cc1F ZINC000045099853 1291505193 /nfs/dbraw/zinc/50/51/93/1291505193.db2.gz IRAPUANQTIPRNO-UHFFFAOYSA-N -1 0 325.336 3.108 20 30 EGEDRM Cc1ccc(OCC(=O)[N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000046929344 1291557508 /nfs/dbraw/zinc/55/75/08/1291557508.db2.gz DCBMWXZUHJOCGK-UHFFFAOYSA-N -1 0 333.409 3.336 20 30 EGEDRM CS(=O)(=O)[N-]C(=O)CCCOc1ccc(Cl)cc1Cl ZINC000048478755 1291607213 /nfs/dbraw/zinc/60/72/13/1291607213.db2.gz UVHVHIQOLCUCPA-UHFFFAOYSA-N -1 0 326.201 3.069 20 30 EGEDRM CCCCS(=O)(=O)[N-]C(=O)c1cc(F)cc(Br)c1 ZINC000048518635 1291609329 /nfs/dbraw/zinc/60/93/29/1291609329.db2.gz MXMHTBXVLQXJPM-UHFFFAOYSA-N -1 0 338.198 3.023 20 30 EGEDRM CCn1c(C)cc(C(=O)[N-]S(=O)(=O)C=Cc2ccccc2)c1C ZINC000048530457 1291610559 /nfs/dbraw/zinc/61/05/59/1291610559.db2.gz FYEKJFYTEVMAQN-ZHACJKMWSA-N -1 0 332.425 3.430 20 30 EGEDRM CCCCS(=O)(=O)[N-]C(=O)c1csc(-c2ccc(C)o2)n1 ZINC000048556006 1291610954 /nfs/dbraw/zinc/61/09/54/1291610954.db2.gz FDXWLYMHJPRBFO-UHFFFAOYSA-N -1 0 328.415 3.146 20 30 EGEDRM COc1cccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)c1 ZINC000058187041 1291881997 /nfs/dbraw/zinc/88/19/97/1291881997.db2.gz JPMLBJZJWXYHDZ-JKSUJKDBSA-N -1 0 349.383 3.283 20 30 EGEDRM C[C@@]1(C([O-])=C(C#N)c2nc3ccccc3o2)Cc2ccccc2C(=O)O1 ZINC000066516857 1292120048 /nfs/dbraw/zinc/12/00/48/1292120048.db2.gz HOIWNSVBZRAETJ-VLIAUNLRSA-N -1 0 346.342 3.176 20 30 EGEDRM CCCCS(=O)(=O)[N-]C(=O)c1nc(-c2ccco2)sc1C ZINC000069590484 1292245331 /nfs/dbraw/zinc/24/53/31/1292245331.db2.gz IVCYFHMRPGFRPI-UHFFFAOYSA-N -1 0 328.415 3.146 20 30 EGEDRM CC(C)C[C@H](C)CC(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000070030901 1292254825 /nfs/dbraw/zinc/25/48/25/1292254825.db2.gz OWYQJYNBXUTTBH-LBPRGKRZSA-N -1 0 342.417 3.453 20 30 EGEDRM O=C([N-]S(=O)(=O)c1cccc(Cl)c1)[C@@H]1COc2ccccc21 ZINC000073086983 1292305699 /nfs/dbraw/zinc/30/56/99/1292305699.db2.gz GNFFTRNMNJDHAU-CYBMUJFWSA-N -1 0 337.784 3.161 20 30 EGEDRM CC(C)(C(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000075778416 1292411471 /nfs/dbraw/zinc/41/14/71/1292411471.db2.gz DRPUOTHXCAQELA-UHFFFAOYSA-N -1 0 348.380 3.218 20 30 EGEDRM CC(=O)Nc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@@H](C)C2)cc1 ZINC000076755988 1292440484 /nfs/dbraw/zinc/44/04/84/1292440484.db2.gz NKFNJLOYPAAGDJ-DGCLKSJQSA-N -1 0 338.429 3.117 20 30 EGEDRM C[C@@H](CCc1ccccc1F)C(=O)[N-]S(=O)(=O)N1CCCCC1 ZINC000076877763 1292447648 /nfs/dbraw/zinc/44/76/48/1292447648.db2.gz NQCYEERUKFXCMJ-ZDUSSCGKSA-N -1 0 342.436 3.082 20 30 EGEDRM C#Cc1cccc(N(C)C(=O)c2nn(-c3ccc(F)cc3C)cc2[O-])c1 ZINC000081734305 1292672102 /nfs/dbraw/zinc/67/21/02/1292672102.db2.gz LOUVJTFSYQPPOB-UHFFFAOYSA-N -1 0 349.365 3.283 20 30 EGEDRM COc1ccccc1C[C@@H](C)CC(=O)[N-]S(=O)(=O)C1CCCC1 ZINC000086055472 1292728267 /nfs/dbraw/zinc/72/82/67/1292728267.db2.gz MXTDSDNGESMFHX-CYBMUJFWSA-N -1 0 339.457 3.493 20 30 EGEDRM C[C@@H](CC(=O)[N-]S(=O)(=O)N1CCCC1)Cc1ccc(Cl)cc1 ZINC000091441842 1292834805 /nfs/dbraw/zinc/83/48/05/1292834805.db2.gz RHHGYVOYALAUOT-GFCCVEGCSA-N -1 0 344.864 3.206 20 30 EGEDRM C#CCO[N-]C(=O)C(C)(C)c1csc(-c2c(F)cccc2F)n1 ZINC000832328590 1292991478 /nfs/dbraw/zinc/99/14/78/1292991478.db2.gz PJXIZLPXJVILGK-UHFFFAOYSA-N -1 0 336.363 3.047 20 30 EGEDRM CCc1cccc(C([O-])=C(C#N)C(=O)N[C@H](CC)c2ccccc2)n1 ZINC000835342054 1293268803 /nfs/dbraw/zinc/26/88/03/1293268803.db2.gz YEXHKGRQAQKSEM-IAGOWNOFSA-N -1 0 335.407 3.234 20 30 EGEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1csc(-c2cccs2)n1 ZINC000119858326 1293291423 /nfs/dbraw/zinc/29/14/23/1293291423.db2.gz SCTVDUAFIBAZSX-LLVKDONJSA-N -1 0 345.449 3.253 20 30 EGEDRM CCCCCCCCCNC(=O)c1cc(C#N)c(SC)[n-]c1=O ZINC000121113420 1293356646 /nfs/dbraw/zinc/35/66/46/1293356646.db2.gz BEIDLHFAMPSCBA-UHFFFAOYSA-N -1 0 335.473 3.449 20 30 EGEDRM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cnc(C(C)C)s1 ZINC000122464708 1293413593 /nfs/dbraw/zinc/41/35/93/1293413593.db2.gz YMXKDAZGICETRC-NSHDSACASA-N -1 0 343.408 3.236 20 30 EGEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)CCc1ccc(-c2ccccc2)o1 ZINC000122860188 1293427309 /nfs/dbraw/zinc/42/73/09/1293427309.db2.gz NDSRBHHOQJNJLS-MRXNPFEDSA-N -1 0 347.374 3.204 20 30 EGEDRM Cc1nc(-c2ccccc2)sc1C([O-])=C(C#N)C(=O)N1CCCC1 ZINC000124580852 1293479784 /nfs/dbraw/zinc/47/97/84/1293479784.db2.gz DGZJXBYZFUPBRV-CQSZACIVSA-N -1 0 339.420 3.063 20 30 EGEDRM CC(C)OCCCNC(=O)C(C#N)=C([O-])c1cc2ccccc2s1 ZINC000125476792 1293509263 /nfs/dbraw/zinc/50/92/63/1293509263.db2.gz ZPSCJIKJGNWYRR-CQSZACIVSA-N -1 0 344.436 3.155 20 30 EGEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1ccc(-n2cccc2)cc1 ZINC000126746633 1293543116 /nfs/dbraw/zinc/54/31/16/1293543116.db2.gz VQAMZCLYJNZDRC-IBGZPJMESA-N -1 0 343.386 3.116 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)COc2ccccc2Br)c1 ZINC000127133087 1293553363 /nfs/dbraw/zinc/55/33/63/1293553363.db2.gz XTXRWGWPDGWYTK-UHFFFAOYSA-N -1 0 347.168 3.044 20 30 EGEDRM O=C1c2cc(F)ccc2OCC/C1=C\c1ccc([N+](=O)[O-])c([O-])c1 ZINC000129538222 1293626969 /nfs/dbraw/zinc/62/69/69/1293626969.db2.gz MRURDOTZFDWREO-YRNVUSSQSA-N -1 0 329.283 3.488 20 30 EGEDRM O=C([O-])COc1cccc(C(=O)/C=C/c2cc(F)c(F)cc2F)c1 ZINC000129945475 1293640168 /nfs/dbraw/zinc/64/01/68/1293640168.db2.gz QXCWDCDCZMGTRF-SNAWJCMRSA-N -1 0 336.265 3.463 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)C(=O)NC(C)C)c(C)n1-c1cccc(C)c1 ZINC000130567086 1293661001 /nfs/dbraw/zinc/66/10/01/1293661001.db2.gz SCXPFJFPFFDUTJ-GOSISDBHSA-N -1 0 337.423 3.250 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2ccccc2OC2CCCC2)C(=O)O1 ZINC000130666218 1293665083 /nfs/dbraw/zinc/66/50/83/1293665083.db2.gz DEBOLEJPTUIXBY-GDWUOILNSA-N -1 0 340.375 3.236 20 30 EGEDRM CC(C)NC(=O)C(C#N)=C([O-])c1ccc(-c2ccc(F)cc2)s1 ZINC000130682022 1293665975 /nfs/dbraw/zinc/66/59/75/1293665975.db2.gz CPMZXLCNEMEVRE-CYBMUJFWSA-N -1 0 330.384 3.401 20 30 EGEDRM Cn1cc(/C=C/C(=O)c2ccc(C(=O)[O-])s2)c(-c2ccncc2)n1 ZINC000141523191 1293856177 /nfs/dbraw/zinc/85/61/77/1293856177.db2.gz MOGPUBWXTMIQJE-NSCUHMNNSA-N -1 0 339.376 3.138 20 30 EGEDRM Cc1nc(CC(=O)C(C#N)=C([O-])c2c(C)[nH]c3ccccc32)cs1 ZINC000147769499 1293880902 /nfs/dbraw/zinc/88/09/02/1293880902.db2.gz NCRJILIMRXWTPH-AWEZNQCLSA-N -1 0 337.404 3.376 20 30 EGEDRM Cc1c(C([O-])=C(C#N)C(=O)NC2CCCCC2)cnn1C1CCCC1 ZINC000153282162 1294007152 /nfs/dbraw/zinc/00/71/52/1294007152.db2.gz PDDDFWQRHGPNEN-MRXNPFEDSA-N -1 0 342.443 3.078 20 30 EGEDRM CCN(C(C)=O)c1nc(/C=C/C(=O)c2ccc(OC)cc2[O-])cs1 ZINC000156618950 1294151570 /nfs/dbraw/zinc/15/15/70/1294151570.db2.gz XJPGQAXEWKYZGM-VMPITWQZSA-N -1 0 346.408 3.126 20 30 EGEDRM CCOc1ccc([N+](=O)[O-])cc1/C=C/C(=O)c1ccc(O)cc1[O-] ZINC000156628184 1294152246 /nfs/dbraw/zinc/15/22/46/1294152246.db2.gz VAGHWYCHGHTMMG-XVNBXDOJSA-N -1 0 329.308 3.301 20 30 EGEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1ccc(Cl)c(F)c1 ZINC000161939180 1294302576 /nfs/dbraw/zinc/30/25/76/1294302576.db2.gz QZVNPQOXDDKSPC-CYBMUJFWSA-N -1 0 330.746 3.118 20 30 EGEDRM COc1ccc(/C=C/C(=O)c2ccc([O-])c(F)c2)c(OC)c1OC ZINC000170851929 1294384157 /nfs/dbraw/zinc/38/41/57/1294384157.db2.gz PWSLUDFKZATDTP-QPJJXVBHSA-N -1 0 332.327 3.453 20 30 EGEDRM CC(C)=CCOc1cccc(C([O-])=C(C#N)C(=O)NC2CCCC2)c1 ZINC000173996718 1294476088 /nfs/dbraw/zinc/47/60/88/1294476088.db2.gz HBYROKVGLDLWHW-GOSISDBHSA-N -1 0 340.423 3.413 20 30 EGEDRM Cc1cc(C)n(Cc2cccc(C(=O)Nc3cc(C#N)ccc3[O-])c2)n1 ZINC000176826058 1294636519 /nfs/dbraw/zinc/63/65/19/1294636519.db2.gz QEINLSMEBONVEA-UHFFFAOYSA-N -1 0 346.390 3.378 20 30 EGEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1cnc2ccc(F)cc2c1 ZINC000179611823 1294808341 /nfs/dbraw/zinc/80/83/41/1294808341.db2.gz GOWBZTMIJBYDSM-KRWDZBQOSA-N -1 0 347.349 3.013 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)C2(c3ccc(F)cc3)CCOCC2)c1 ZINC000179734936 1294821564 /nfs/dbraw/zinc/82/15/64/1294821564.db2.gz ZQCQFSVVWXVKQO-UHFFFAOYSA-N -1 0 340.354 3.090 20 30 EGEDRM Cc1cccc(S(=O)(=O)[N-]c2ccccc2O[C@H](C)C#N)c1F ZINC000180523130 1294897743 /nfs/dbraw/zinc/89/77/43/1294897743.db2.gz XAMRNJYDOGEOJF-GFCCVEGCSA-N -1 0 334.372 3.226 20 30 EGEDRM C#Cc1cccc(N(CC)C(=O)c2nn(-c3ccc(F)cc3)cc2[O-])c1 ZINC000181037645 1294931933 /nfs/dbraw/zinc/93/19/33/1294931933.db2.gz TZTGDPINANLMQT-UHFFFAOYSA-N -1 0 349.365 3.365 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)c1cc(-c2ccco2)nc2ccccc21 ZINC000191271630 1295663854 /nfs/dbraw/zinc/66/38/54/1295663854.db2.gz IJRSOWWTRXYZSL-UHFFFAOYSA-N -1 0 336.347 3.208 20 30 EGEDRM COc1cccc(C(=O)/C=C\c2cccc(O[C@H](C)C(=O)[O-])c2)c1 ZINC000208114971 1296097521 /nfs/dbraw/zinc/09/75/21/1296097521.db2.gz VRQYVBJDUMDDCU-ASCRHOAZSA-N -1 0 326.348 3.443 20 30 EGEDRM C[C@H](Oc1cccc(/C=C\C(=O)c2ccc3c(c2)OCO3)c1)C(=O)[O-] ZINC000208115784 1296097996 /nfs/dbraw/zinc/09/79/96/1296097996.db2.gz YOLIQGDCEKVBDW-HWPRWLFBSA-N -1 0 340.331 3.163 20 30 EGEDRM CCOc1ccccc1/C=C\C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000213722007 1296112021 /nfs/dbraw/zinc/11/20/21/1296112021.db2.gz GQMOBQIDRGRBEM-KHPPLWFESA-N -1 0 326.348 3.445 20 30 EGEDRM COc1ccccc1-c1n[n-]c(=S)n1N=Cc1ccc(O)cc1 ZINC000254806314 1296478096 /nfs/dbraw/zinc/47/80/96/1296478096.db2.gz POPXXFBTWMZRSB-UHFFFAOYSA-N -1 0 326.381 3.204 20 30 EGEDRM COC(=O)[C@H](C)Oc1ccc(/C=C\C(=O)c2ccccc2[O-])cc1 ZINC000255035674 1296490622 /nfs/dbraw/zinc/49/06/22/1296490622.db2.gz VRPWQNIRGFHDBE-SUIFULHWSA-N -1 0 326.348 3.229 20 30 EGEDRM Cc1cc(C)c(NC(=O)C/N=C\c2cc([N+](=O)[O-])ccc2[O-])c(C)c1 ZINC000255053445 1296492664 /nfs/dbraw/zinc/49/26/64/1296492664.db2.gz PZUKUGZPWMNEKE-OCKHKDLRSA-N -1 0 341.367 3.283 20 30 EGEDRM C[C@H](Oc1cccc(C(=O)/C=C\c2ccc(C#N)s2)c1)C(=O)[O-] ZINC000255131184 1296501468 /nfs/dbraw/zinc/50/14/68/1296501468.db2.gz SWUCSEVHVRYHIT-TVRMLOFPSA-N -1 0 327.361 3.368 20 30 EGEDRM COc1cc(C(=O)/C=C\c2ccc(OC)c(F)c2)c(OC)cc1O ZINC000255133460 1296503125 /nfs/dbraw/zinc/50/31/25/1296503125.db2.gz VIWQALYCYNFSOJ-XQRVVYSFSA-N -1 0 332.327 3.453 20 30 EGEDRM COc1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)c2ccccc12 ZINC000255163606 1296506167 /nfs/dbraw/zinc/50/61/67/1296506167.db2.gz RYLICBCUIDCBJS-FUKPKEADSA-N -1 0 336.343 3.077 20 30 EGEDRM COc1ccc(/C=C\C(=O)c2ccc([O-])c(F)c2)c(OC)c1OC ZINC000255384579 1296528902 /nfs/dbraw/zinc/52/89/02/1296528902.db2.gz PWSLUDFKZATDTP-DAXSKMNVSA-N -1 0 332.327 3.453 20 30 EGEDRM Cc1ccc(C(=O)/C=C\c2cc([O-])ccc2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000255642218 1296556410 /nfs/dbraw/zinc/55/64/10/1296556410.db2.gz ZZMMSNQITNXQHH-DAXSKMNVSA-N -1 0 328.280 3.413 20 30 EGEDRM CCn1cc(/C=C\C(=O)c2cc(Br)cc(F)c2[O-])cn1 ZINC000588425596 1298065055 /nfs/dbraw/zinc/06/50/55/1298065055.db2.gz SSZZXMFQIBLSKN-ARJAWSKDSA-N -1 0 339.164 3.406 20 30 EGEDRM CC(C)(C)c1nc(C#N)c([N-]N=c2c3cccc4cccc(c2=O)c34)o1 ZINC000746498293 1298597235 /nfs/dbraw/zinc/59/72/35/1298597235.db2.gz UUVZGAMVVSBSNY-UHFFFAOYSA-N -1 0 344.374 3.314 20 30 EGEDRM C[C@H](Oc1cccc(/C=C/C(=O)c2ccc3c(c2)CCO3)c1)C(=O)[O-] ZINC000746684433 1298642660 /nfs/dbraw/zinc/64/26/60/1298642660.db2.gz PYLMXPZKJLGOCF-IYNGYCSASA-N -1 0 338.359 3.370 20 30 EGEDRM O=C([O-])COc1ccc(/C=C2\Cc3c(c(F)ccc3F)C2=O)cc1 ZINC000749591677 1299241100 /nfs/dbraw/zinc/24/11/00/1299241100.db2.gz SCGODZUGGCJICP-YRNVUSSQSA-N -1 0 330.286 3.251 20 30 EGEDRM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1cc(C#N)cs1 ZINC000752160837 1299705525 /nfs/dbraw/zinc/70/55/25/1299705525.db2.gz MQKLSMOZNVOTFW-SNVBAGLBSA-N -1 0 329.768 3.234 20 30 EGEDRM O=C1Nc2c(cccc2F)C1=N[N-]c1ncnc2c3ccccc3oc21 ZINC000753954004 1300052053 /nfs/dbraw/zinc/05/20/53/1300052053.db2.gz AUYRGUNSRQOZFH-UHFFFAOYSA-N -1 0 347.309 3.283 20 30 EGEDRM Cc1ccc(C[N-]C(=O)C(F)(F)C(F)F)c(OCC(F)(F)F)c1 ZINC000755461453 1300341636 /nfs/dbraw/zinc/34/16/36/1300341636.db2.gz ORYGMDKEDYHMEN-UHFFFAOYSA-N -1 0 347.230 3.453 20 30 EGEDRM O=C([O-])c1cc(NN=Cc2n[nH]nc2-c2ccccc2)ccc1Cl ZINC000755466633 1300343533 /nfs/dbraw/zinc/34/35/33/1300343533.db2.gz JCEGQJILIXNOFY-UHFFFAOYSA-N -1 0 341.758 3.269 20 30 EGEDRM CCOc1ccc(NC(=S)NN=Cc2cc(C(=O)[O-])cs2)cc1 ZINC000755504980 1300348401 /nfs/dbraw/zinc/34/84/01/1300348401.db2.gz ISUGAMKAAPSTSY-UHFFFAOYSA-N -1 0 349.437 3.166 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)CCOc2ccc(F)c(Cl)c2)c1 ZINC000759714352 1301148406 /nfs/dbraw/zinc/14/84/06/1301148406.db2.gz ZUBYWOGKBNTHOP-UHFFFAOYSA-N -1 0 334.734 3.464 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)c1ccc(OCC2CCCCC2)cc1 ZINC000762067221 1301607175 /nfs/dbraw/zinc/60/71/75/1301607175.db2.gz VOEMQRFLTBPPPZ-UHFFFAOYSA-N -1 0 331.412 3.359 20 30 EGEDRM Cc1nnc(NN=C2CCCc3c4ccccc4sc32)[n-]c1=O ZINC000763136629 1301829943 /nfs/dbraw/zinc/82/99/43/1301829943.db2.gz FCFPSCFNTOMCPL-UHFFFAOYSA-N -1 0 325.397 3.253 20 30 EGEDRM C#CCOc1cccc([N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)c1 ZINC000769871407 1303185221 /nfs/dbraw/zinc/18/52/21/1303185221.db2.gz KCKFHQPLPFMUPQ-UHFFFAOYSA-N -1 0 344.367 3.120 20 30 EGEDRM CCCCCCCCCC(=O)[N-]S(=O)(=O)c1cn(CC)c(C)n1 ZINC000770185850 1303232896 /nfs/dbraw/zinc/23/28/96/1303232896.db2.gz GRJVKHZNUJZILT-UHFFFAOYSA-N -1 0 343.493 3.157 20 30 EGEDRM N#CCOc1cccc(CC(=O)Nc2cc(F)cc(Cl)c2[O-])c1 ZINC000771515133 1303416509 /nfs/dbraw/zinc/41/65/09/1303416509.db2.gz ZFVVOHRCIGPLBP-UHFFFAOYSA-N -1 0 334.734 3.268 20 30 EGEDRM C=CCC[C@@H](NC(=O)c1ccc(OC(F)F)c(Cl)c1)C(=O)[O-] ZINC000887325104 1303743952 /nfs/dbraw/zinc/74/39/52/1303743952.db2.gz GBPDOZYGECCVHP-SNVBAGLBSA-N -1 0 333.718 3.091 20 30 EGEDRM Cc1nc(C2CCCCC2)sc1C([O-])=C(C#N)C(=O)N1CCCC1 ZINC000775230872 1303927626 /nfs/dbraw/zinc/92/76/26/1303927626.db2.gz ALNYGMJTTAGVIG-AWEZNQCLSA-N -1 0 345.468 3.444 20 30 EGEDRM C#CCOc1ccccc1[N-]S(=O)(=O)c1cc(C)c(F)cc1F ZINC000775298522 1303936020 /nfs/dbraw/zinc/93/60/20/1303936020.db2.gz WYCHZPQMEYWRBQ-UHFFFAOYSA-N -1 0 337.347 3.086 20 30 EGEDRM C#CCOc1ccccc1[N-]S(=O)(=O)c1cc(C)c(OC)cc1C ZINC000775298132 1303936482 /nfs/dbraw/zinc/93/64/82/1303936482.db2.gz IKWBLWHPTDNGCP-UHFFFAOYSA-N -1 0 345.420 3.125 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cc(C)n(C2CCCCC2)n1 ZINC000776517098 1304168250 /nfs/dbraw/zinc/16/82/50/1304168250.db2.gz OXVNLTLWWVAHKR-MRXNPFEDSA-N -1 0 344.459 3.326 20 30 EGEDRM Cc1nc(C)c(C(C)N=Nc2nncc3ccccc32)cc1C(=O)[O-] ZINC000776719842 1304187097 /nfs/dbraw/zinc/18/70/97/1304187097.db2.gz CSPXXSHAXSCQEK-UHFFFAOYSA-N -1 0 335.367 3.176 20 30 EGEDRM COc1ccc(N=NC(C)c2ccc(C(=O)[O-])c(F)c2)c([N+](=O)[O-])c1 ZINC000776775558 1304197523 /nfs/dbraw/zinc/19/75/23/1304197523.db2.gz GNIIVBCYCLSMKW-UHFFFAOYSA-N -1 0 347.302 3.277 20 30 EGEDRM O=C([O-])c1ccccc1COc1cccc(C=Nn2ccccc2=O)c1 ZINC000776791484 1304200019 /nfs/dbraw/zinc/20/00/19/1304200019.db2.gz KHPCKGCYQSQCJX-UHFFFAOYSA-N -1 0 348.358 3.008 20 30 EGEDRM C=CCSc1ccccc1C(=O)[N-]S(=O)(=O)C[C@H](C)CCC ZINC000777316001 1304282097 /nfs/dbraw/zinc/28/20/97/1304282097.db2.gz VCTVXRMVZCMXOJ-CYBMUJFWSA-N -1 0 341.498 3.461 20 30 EGEDRM CC(C)[C@@H](Cc1ccccc1)NN=Cc1ccccc1OCC(=O)[O-] ZINC000777447597 1304298626 /nfs/dbraw/zinc/29/86/26/1304298626.db2.gz IAWQRISRSPBFHF-GOSISDBHSA-N -1 0 340.423 3.341 20 30 EGEDRM Cn1cc(C=NNc2ccc(C(=O)[O-])cc2)c(-c2ccc(C#N)cc2)n1 ZINC000777881262 1304360024 /nfs/dbraw/zinc/36/00/24/1304360024.db2.gz MJLNXFDMQPYLFB-UHFFFAOYSA-N -1 0 345.362 3.103 20 30 EGEDRM CC1CC(C#N)(C(=O)[N-]OCc2ccc(F)cc2Br)C1 ZINC000781881161 1304885731 /nfs/dbraw/zinc/88/57/31/1304885731.db2.gz AGWSBJIWXQYNJH-UHFFFAOYSA-N -1 0 341.180 3.076 20 30 EGEDRM CCOc1ccc(C=NNc2ccc(C(=O)[O-])cc2OC)cc1F ZINC000782253996 1304940594 /nfs/dbraw/zinc/94/05/94/1304940594.db2.gz LABKJPMWTAXJIE-UHFFFAOYSA-N -1 0 332.331 3.377 20 30 EGEDRM COc1cc(C=NNc2cccc(F)c2)ccc1OCCC(=O)[O-] ZINC000783831507 1305150057 /nfs/dbraw/zinc/15/00/57/1305150057.db2.gz LGGGEJMWYDRBOB-UHFFFAOYSA-N -1 0 332.331 3.134 20 30 EGEDRM CON(C(=O)c1ccc(C#N)c([O-])c1)[C@H]1CCCOc2ccccc21 ZINC000785608121 1305391338 /nfs/dbraw/zinc/39/13/38/1305391338.db2.gz SWIPXOYOXBOJTN-INIZCTEOSA-N -1 0 338.363 3.181 20 30 EGEDRM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]C(=O)CC(C)(C)C#N ZINC000786265525 1305546155 /nfs/dbraw/zinc/54/61/55/1305546155.db2.gz SAWOAQZIEZDAAN-UHFFFAOYSA-N -1 0 336.457 3.037 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)ccc1F ZINC000786531909 1305591919 /nfs/dbraw/zinc/59/19/19/1305591919.db2.gz VYGMRCZLVULGHD-OAHLLOKOSA-N -1 0 344.773 3.426 20 30 EGEDRM Cc1cc(F)ccc1C([O-])=C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786545258 1305593666 /nfs/dbraw/zinc/59/36/66/1305593666.db2.gz ATIHJTNHWSSAGC-INIZCTEOSA-N -1 0 344.773 3.426 20 30 EGEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2cccc(Cl)c2)c1 ZINC000786551375 1305596699 /nfs/dbraw/zinc/59/66/99/1305596699.db2.gz XDDOSHQOXLNUNL-INIZCTEOSA-N -1 0 326.783 3.287 20 30 EGEDRM Cc1ccc(C([O-])=C(C#N)C(=O)NCc2ccc(F)cc2F)c(C)c1 ZINC000786563144 1305599507 /nfs/dbraw/zinc/59/95/07/1305599507.db2.gz KZNBVKWXBXEIPM-MRXNPFEDSA-N -1 0 342.345 3.221 20 30 EGEDRM CCc1ccsc1C([O-])=C(C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC000786573057 1305602697 /nfs/dbraw/zinc/60/26/97/1305602697.db2.gz ZAQFDQVWLCONLF-GFCCVEGCSA-N -1 0 348.374 3.228 20 30 EGEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1scnc1Cl)c1ccccc1 ZINC000787046819 1305682723 /nfs/dbraw/zinc/68/27/23/1305682723.db2.gz SEEGYIJOCVSMIX-NWDGAFQWSA-N -1 0 347.827 3.386 20 30 EGEDRM CC(=NOC[C@@H]1CCOC1)c1ccc(-c2ccc(C(=O)[O-])o2)cc1 ZINC000788034695 1305850842 /nfs/dbraw/zinc/85/08/42/1305850842.db2.gz VEUNUXAEVWZJLI-CYBMUJFWSA-N -1 0 329.352 3.422 20 30 EGEDRM COc1cc(OC)c(/C=C/C(=O)c2ccc(F)cc2[O-])c(OC)c1 ZINC000794702794 1309577801 /nfs/dbraw/zinc/57/78/01/1309577801.db2.gz SJXCWANMCDLATC-VOTSOKGWSA-N -1 0 332.327 3.453 20 30 EGEDRM CC[C@H](C)[C@@H](OC)C(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21 ZINC000796629917 1310049628 /nfs/dbraw/zinc/04/96/28/1310049628.db2.gz RTDMXDJXHAYKFL-GEDNVKPRSA-N -1 0 326.396 3.429 20 30 EGEDRM N#CC(C(=O)Nc1ccc(Cl)cc1Cl)=C([O-])c1cncs1 ZINC000796746757 1310077602 /nfs/dbraw/zinc/07/76/02/1310077602.db2.gz OTYPNJKKOGVRCC-QMMMGPOBSA-N -1 0 340.191 3.411 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1c[nH]c(C(F)(F)F)c1 ZINC000796743405 1310077915 /nfs/dbraw/zinc/07/79/15/1310077915.db2.gz XHJMMQNOQZCHLQ-NSHDSACASA-N -1 0 329.322 3.052 20 30 EGEDRM COc1ccccc1NC(=O)C(C#N)=C([O-])c1nc(C(C)C)oc1C ZINC000796794960 1310089368 /nfs/dbraw/zinc/08/93/68/1310089368.db2.gz ZUQJGNHEFYOCOE-GFCCVEGCSA-N -1 0 341.367 3.076 20 30 EGEDRM Cc1nc2cc(C([O-])=C(C#N)C(=O)NCc3cccc(C)c3)ccc2o1 ZINC000796884853 1310105401 /nfs/dbraw/zinc/10/54/01/1310105401.db2.gz LTHOYXPVULFOPJ-INIZCTEOSA-N -1 0 347.374 3.084 20 30 EGEDRM C#Cc1cccc(NC(=O)N(CC=C)[C@@H](Cc2ccccc2)C(=O)[O-])c1 ZINC000797737187 1310240578 /nfs/dbraw/zinc/24/05/78/1310240578.db2.gz SWBBLURCKYGZKP-IBGZPJMESA-N -1 0 348.402 3.384 20 30 EGEDRM CCOC(=O)c1cnc(=NNc2csc3cc(C)ccc23)[n-]c1C ZINC000797786390 1310246582 /nfs/dbraw/zinc/24/65/82/1310246582.db2.gz UHYVEGKTUKISCL-UHFFFAOYSA-N -1 0 342.424 3.192 20 30 EGEDRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cnc(Cl)cc2C#N)c1 ZINC000798210927 1310317521 /nfs/dbraw/zinc/31/75/21/1310317521.db2.gz PYEMXHCOLHACAT-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM CCCc1nc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)co1 ZINC000802039918 1316976231 /nfs/dbraw/zinc/97/62/31/1316976231.db2.gz AWULVYQMQRXKJG-LBPRGKRZSA-N -1 0 331.759 3.242 20 30 EGEDRM C=CCN(Cc1ccccc1)C(=O)[C@H]1[C@H]2C=C[C@H](C2)[C@@]1(C)C(=O)[O-] ZINC000899801845 1317165989 /nfs/dbraw/zinc/16/59/89/1317165989.db2.gz UHNRRDQSGZAPPV-TVKQPGBESA-N -1 0 325.408 3.114 20 30 EGEDRM C#CC[C@@H](NC(=O)Nc1ccc(S[C@H](C)CC)cc1C)C(=O)[O-] ZINC000900332690 1317275239 /nfs/dbraw/zinc/27/52/39/1317275239.db2.gz FIQSSIPZLRGKLX-IUODEOHRSA-N -1 0 334.441 3.484 20 30 EGEDRM CC(N=Nc1nccnc1C1CCC1)c1cccc(OCC(=O)[O-])c1 ZINC000807994113 1317609519 /nfs/dbraw/zinc/60/95/19/1317609519.db2.gz MGWOGGKWMNDYSY-UHFFFAOYSA-N -1 0 340.383 3.044 20 30 EGEDRM CC(=NN[C@@H]1CCSC1)c1cc(Br)cc(F)c1[O-] ZINC000807999442 1317610617 /nfs/dbraw/zinc/61/06/17/1317610617.db2.gz NDISJDPIQSRSKU-SECBINFHSA-N -1 0 333.226 3.113 20 30 EGEDRM Cc1cc(C#N)cc([N-]S(=O)(=O)c2ccc(OCC(C)C)cc2)n1 ZINC000903140499 1317661201 /nfs/dbraw/zinc/66/12/01/1317661201.db2.gz BQJNRODUQXNXMK-UHFFFAOYSA-N -1 0 345.424 3.097 20 30 EGEDRM O=C([O-])c1cc(/C=C/C(=O)c2ccc(-n3cccn3)cc2)ccc1O ZINC000809154733 1317775958 /nfs/dbraw/zinc/77/59/58/1317775958.db2.gz CSBFLXYAXJDCOJ-KRXBUXKQSA-N -1 0 334.331 3.172 20 30 EGEDRM O=C(CCOCC(F)(F)C(F)F)N(O)Cc1ccccc1Cl ZINC000904191132 1317806904 /nfs/dbraw/zinc/80/69/04/1317806904.db2.gz UPNNXBXQNDXYMS-UHFFFAOYSA-N -1 0 343.704 3.365 20 30 EGEDRM N#Cc1ccc2c(c1)C(=O)/C(=C/c1cccc(OCCC(=O)[O-])c1)C2 ZINC000811695605 1318230034 /nfs/dbraw/zinc/23/00/34/1318230034.db2.gz KAAWRLSODIFYMQ-LZYBPNLTSA-N -1 0 333.343 3.234 20 30 EGEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)CCCC1CC1 ZINC000813061722 1318493322 /nfs/dbraw/zinc/49/33/22/1318493322.db2.gz QVNNZACIKHAHFY-CQSZACIVSA-N -1 0 344.411 3.280 20 30 EGEDRM O=C([O-])C1(C(=O)Nc2cccc(C#Cc3ccccn3)c2)CCCC1 ZINC000911152370 1318721680 /nfs/dbraw/zinc/72/16/80/1318721680.db2.gz RTYPHSPSFPMBOC-UHFFFAOYSA-N -1 0 334.375 3.065 20 30 EGEDRM Cc1ccc(NC(=S)NN=C2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c(C)c1 ZINC000814707559 1318802333 /nfs/dbraw/zinc/80/23/33/1318802333.db2.gz ROKKGRMDXKTSCN-SMDDNHRTSA-N -1 0 333.457 3.467 20 30 EGEDRM Cc1sc2ncnc(N=NCc3cccc(C(=O)[O-])c3)c2c1C ZINC000814725824 1318805176 /nfs/dbraw/zinc/80/51/76/1318805176.db2.gz CZPSCTSFKHOOLG-UHFFFAOYSA-N -1 0 326.381 3.452 20 30 EGEDRM COc1cccc(NC(=S)NN=C(C)CC2(C(=O)[O-])CCC2)c1 ZINC000814721657 1318805331 /nfs/dbraw/zinc/80/53/31/1318805331.db2.gz OQJKRZAMEVWWOE-UHFFFAOYSA-N -1 0 335.429 3.003 20 30 EGEDRM O=C([O-])c1cccc(C=NN2C(=O)c3cccc4cccc(c43)C2=O)c1 ZINC000814725259 1318806134 /nfs/dbraw/zinc/80/61/34/1318806134.db2.gz WUJUPJLUWNPUFN-UHFFFAOYSA-N -1 0 344.326 3.168 20 30 EGEDRM CC(=NNc1nnc(C)c(=O)[n-]1)c1sc(-c2ccccc2)nc1C ZINC000814734957 1318807683 /nfs/dbraw/zinc/80/76/83/1318807683.db2.gz MLSVGJDPJNVZLI-UHFFFAOYSA-N -1 0 340.412 3.154 20 30 EGEDRM Cn1c2ccccc2nc1NN=C1CCCc2cc(C(=O)[O-])ccc21 ZINC000814807455 1318823067 /nfs/dbraw/zinc/82/30/67/1318823067.db2.gz WUJLMUNZPWIOSI-UHFFFAOYSA-N -1 0 334.379 3.424 20 30 EGEDRM Cc1ccc(F)c(NC(=S)NN=C2CC[C@@H](CC(=O)[O-])[C@@H]2C)c1 ZINC000814820324 1318824704 /nfs/dbraw/zinc/82/47/04/1318824704.db2.gz YLXBCISPONATJL-QWRGUYRKSA-N -1 0 337.420 3.297 20 30 EGEDRM O=C([O-])C1(c2ccccc2)CC(=NNCCc2ccccc2F)C1 ZINC000814875737 1318836438 /nfs/dbraw/zinc/83/64/38/1318836438.db2.gz UQFMHWVLGBYQKZ-UHFFFAOYSA-N -1 0 326.371 3.130 20 30 EGEDRM CC(CCc1ccc(O[C@@H](C)C(=O)[O-])cc1)=NOCC(F)(F)F ZINC000814879884 1318836599 /nfs/dbraw/zinc/83/65/99/1318836599.db2.gz IZPJFYVCTAWQDV-NSHDSACASA-N -1 0 333.306 3.426 20 30 EGEDRM C[C@H]1C[C@H](C(=O)[O-])CCC1N=Nc1cncc(Br)c1 ZINC000814886917 1318839209 /nfs/dbraw/zinc/83/92/09/1318839209.db2.gz KACCFJNYRJGTAG-DTWKUNHWSA-N -1 0 326.194 3.133 20 30 EGEDRM CC(=NNCC(F)(F)F)c1oc2cc(C)ccc2c1CC(=O)[O-] ZINC000814904323 1318844116 /nfs/dbraw/zinc/84/41/16/1318844116.db2.gz DMKMMALLYLOGDI-UHFFFAOYSA-N -1 0 328.290 3.244 20 30 EGEDRM CC(N=Nc1cccc(Cl)n1)c1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000814939623 1318855864 /nfs/dbraw/zinc/85/58/64/1318855864.db2.gz XMRRKKGVZAPEMZ-NSHDSACASA-N -1 0 333.775 3.423 20 30 EGEDRM C[C@H]1C(N=Nc2nnc(-c3ccccc3)s2)CC[C@@H]1CC(=O)[O-] ZINC000814946463 1318857919 /nfs/dbraw/zinc/85/79/19/1318857919.db2.gz JELLXTNZQOIHSS-ZYHUDNBSSA-N -1 0 330.413 3.494 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cc(Cl)cc(OC)c1 ZINC000815904614 1319070421 /nfs/dbraw/zinc/07/04/21/1319070421.db2.gz LGFBZLZDDVEPAC-HNNXBMFYSA-N -1 0 336.819 3.368 20 30 EGEDRM CCCCCCCC(=O)N[C@H](C)[C@@H](C)C(=O)Nc1ncccc1O ZINC000816611288 1319193888 /nfs/dbraw/zinc/19/38/88/1319193888.db2.gz LWDMPSZWZGOQEO-ZIAGYGMSSA-N -1 0 335.448 3.227 20 30 EGEDRM Cc1c(C(=O)Nc2nc(C#N)c(C#N)[n-]2)sc2cccc(F)c12 ZINC000914535560 1319342186 /nfs/dbraw/zinc/34/21/86/1319342186.db2.gz RVDCHROBOVBSCL-UHFFFAOYSA-N -1 0 325.328 3.068 20 30 EGEDRM O=C([O-])c1ccc(NN=Cc2cccc(Br)c2O)cc1 ZINC000915933727 1319565806 /nfs/dbraw/zinc/56/58/06/1319565806.db2.gz OQEBECIJTBGRIW-UHFFFAOYSA-N -1 0 335.157 3.299 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1csc(Br)c1 ZINC000916878204 1319718651 /nfs/dbraw/zinc/71/86/51/1319718651.db2.gz QRHBVYQXSFMOSP-JTQLQIEISA-N -1 0 343.246 3.139 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(OCC(C)C)cc1 ZINC000916874638 1319718804 /nfs/dbraw/zinc/71/88/04/1319718804.db2.gz GULYYDQCNRRZDM-QGZVFWFLSA-N -1 0 330.428 3.350 20 30 EGEDRM O=[N+]([O-])c1ccc(C/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC000917557376 1319835949 /nfs/dbraw/zinc/83/59/49/1319835949.db2.gz ITIIJPSDDMPMTB-PXNMLYILSA-N -1 0 335.703 3.481 20 30 EGEDRM CCCCCCCC[C@H](C)CC(=O)[N-]S(=O)(=O)c1cn(C)cn1 ZINC000838990873 1320848005 /nfs/dbraw/zinc/84/80/05/1320848005.db2.gz FUZANBGWSYRISL-AWEZNQCLSA-N -1 0 343.493 3.002 20 30 EGEDRM CC(=NN[C@@H](C)C(F)(F)F)c1ccc(O)c(Br)c1 ZINC000844601284 1321625218 /nfs/dbraw/zinc/62/52/18/1321625218.db2.gz RFQKZCRZAFAPRJ-ZETCQYMHSA-N -1 0 325.128 3.419 20 30 EGEDRM Cc1c(N=NC2CC(NC(=O)OC(C)(C)C)C2)cccc1C(=O)[O-] ZINC000844623732 1321626463 /nfs/dbraw/zinc/62/64/63/1321626463.db2.gz RDBKNFQWTWQNAL-UHFFFAOYSA-N -1 0 333.388 3.148 20 30 EGEDRM C=CCN(CC(=O)[O-])Cc1csc(Cc2ccc(Cl)cc2)n1 ZINC000846263180 1321780979 /nfs/dbraw/zinc/78/09/79/1321780979.db2.gz FBRAWLWGGNVKAF-UHFFFAOYSA-N -1 0 336.844 3.460 20 30 EGEDRM C=C[C@H](C)O[N-]C(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1C ZINC000846553420 1321792813 /nfs/dbraw/zinc/79/28/13/1321792813.db2.gz AOTSAUIBRMBPJL-ZFWWWQNUSA-N -1 0 334.416 3.183 20 30 EGEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2cccc(C3CC3)c2)cc1 ZINC000847625320 1321885468 /nfs/dbraw/zinc/88/54/68/1321885468.db2.gz IQIYURIHYPFPCF-LJQANCHMSA-N -1 0 348.402 3.211 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)n1 ZINC000850304654 1322225124 /nfs/dbraw/zinc/22/51/24/1322225124.db2.gz NYKCHGCJDSNOQB-KNCOVGOOSA-N -1 0 346.452 3.387 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]C(=O)CC2(C#N)CCCCC2)sc1C ZINC000850924816 1322310913 /nfs/dbraw/zinc/31/09/13/1322310913.db2.gz MMPORBRKDVSKCC-UHFFFAOYSA-N -1 0 340.470 3.034 20 30 EGEDRM C=C(C)[C@@H](CC(=O)Nc1cc(C(=O)[O-])cc2cccnc21)OCC ZINC000923119371 1322695817 /nfs/dbraw/zinc/69/58/17/1322695817.db2.gz MDDBCWYJMCLTFE-OAHLLOKOSA-N -1 0 328.368 3.243 20 30 EGEDRM C=CCCO[N-]C(=O)c1nn(CCCCCC)c(=O)c2ccccc21 ZINC000856029103 1325441306 /nfs/dbraw/zinc/44/13/06/1325441306.db2.gz ZSZIYJOTBWPSGX-UHFFFAOYSA-N -1 0 343.427 3.214 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]c2cc(F)ccc2OCC(F)F)CC1 ZINC001190813289 1367356283 /nfs/dbraw/zinc/35/62/83/1367356283.db2.gz FLPHDPBFAXOTHM-UHFFFAOYSA-N -1 0 335.347 3.320 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000860771899 1329353924 /nfs/dbraw/zinc/35/39/24/1329353924.db2.gz IIMJDUUQPCSBET-UHFFFAOYSA-N -1 0 348.251 3.091 20 30 EGEDRM C=CCC[C@H](NC(=O)N[C@H](C)c1nc2ccccc2s1)C(=O)[O-] ZINC000929028283 1328491760 /nfs/dbraw/zinc/49/17/60/1328491760.db2.gz HJBYPEOOMLSCGB-PWSUYJOCSA-N -1 0 333.413 3.076 20 30 EGEDRM CC(C)(C)OC(=O)N[C@@H]1CCC(N=Nc2ccc(C(=O)[O-])cc2)C1 ZINC000863063531 1329527110 /nfs/dbraw/zinc/52/71/10/1329527110.db2.gz UBJPGKFYUXBNRV-CYBMUJFWSA-N -1 0 333.388 3.230 20 30 EGEDRM CCOC(=O)c1[nH]c(C)c(C=NNc2cccc(C(=O)[O-])c2C)c1C ZINC000863123213 1329529677 /nfs/dbraw/zinc/52/96/77/1329529677.db2.gz DTGFNYLBWZQISW-UHFFFAOYSA-N -1 0 343.383 3.261 20 30 EGEDRM O=C([O-])c1cccc(C=NNCC(F)(F)C(F)(F)F)c1Cl ZINC000863183194 1329532642 /nfs/dbraw/zinc/53/26/42/1329532642.db2.gz PAOAMJCRFMKVSR-UHFFFAOYSA-N -1 0 330.640 3.159 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2cccc(OC(C)(C)C)c2)C(=O)O1 ZINC000865214207 1329676266 /nfs/dbraw/zinc/67/62/66/1329676266.db2.gz OZKSPOSBRBIBLE-KBOKABMXSA-N -1 0 328.364 3.092 20 30 EGEDRM COc1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc1C(C)(C)C ZINC000865213512 1329676348 /nfs/dbraw/zinc/67/63/48/1329676348.db2.gz BBFYWCFSJYQKKE-XOWYPZSQSA-N -1 0 342.391 3.221 20 30 EGEDRM C=C[C@H](C)O[N-]C(=O)Cc1sc(C)nc1-c1ccc(OC)cc1 ZINC000869154315 1330425617 /nfs/dbraw/zinc/42/56/17/1330425617.db2.gz QSFUKHJUXOMLOI-NSHDSACASA-N -1 0 332.425 3.292 20 30 EGEDRM CCCCCCCCCCS(=O)(=O)[N-]c1cc2n(n1)CCO2 ZINC001201834675 1369630941 /nfs/dbraw/zinc/63/09/41/1369630941.db2.gz SGEVSTQIEBRXBZ-UHFFFAOYSA-N -1 0 329.466 3.158 20 30 EGEDRM Cc1cnn(-c2ccc(C)cc2)c1NC(=O)CCC(=O)C1=CC=C[CH]1 ZINC001184240811 1387418666 /nfs/dbraw/zinc/41/86/66/1387418666.db2.gz FITJBGXFIUBWBA-UHFFFAOYSA-N -1 0 334.399 3.477 20 30 EGEDRM O=C(CCC(=O)C1=CC=C[CH]1)NCc1cc2cc(Cl)ccc2[nH]1 ZINC001184244753 1387419243 /nfs/dbraw/zinc/41/92/43/1387419243.db2.gz UPAOBPQPGXJFCT-UHFFFAOYSA-N -1 0 327.791 3.487 20 30 EGEDRM C[Si](C)(C)C#Cc1ncccc1[N-]S(=O)(=O)c1ccsc1 ZINC001185351516 1387690905 /nfs/dbraw/zinc/69/09/05/1387690905.db2.gz ZHQAZUIKGCZBOZ-UHFFFAOYSA-N -1 0 336.514 3.173 20 30 EGEDRM Cc1cc(C#N)c([N-]S(=O)(=O)Cc2cccc(F)c2F)s1 ZINC001189417229 1367016502 /nfs/dbraw/zinc/01/65/02/1367016502.db2.gz QFGHDGFTKKNWPG-UHFFFAOYSA-N -1 0 328.365 3.148 20 30 EGEDRM N#Cc1c(F)cc(F)cc1[N-]S(=O)(=O)Cc1cc(F)ccc1F ZINC001189697416 1367089359 /nfs/dbraw/zinc/08/93/59/1367089359.db2.gz TYNOCMQZDCIKNI-UHFFFAOYSA-N -1 0 344.289 3.057 20 30 EGEDRM Cc1nc(C(F)(F)F)c(C(=O)Nc2ccc(O)c(C#N)c2)s1 ZINC001190498470 1367277561 /nfs/dbraw/zinc/27/75/61/1367277561.db2.gz PBJIDAVFKJCLQW-UHFFFAOYSA-N -1 0 327.287 3.300 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cnc3c(F)cccc3c2)c1 ZINC001190619285 1367310275 /nfs/dbraw/zinc/31/02/75/1367310275.db2.gz DZGJHUSCSGOFNP-UHFFFAOYSA-N -1 0 345.330 3.185 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)c1 ZINC001190647877 1367315717 /nfs/dbraw/zinc/31/57/17/1367315717.db2.gz LOLWDXSBBFHDOM-UHFFFAOYSA-N -1 0 335.747 3.023 20 30 EGEDRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cccc(F)c2C#N)c1 ZINC001191184964 1367441283 /nfs/dbraw/zinc/44/12/83/1367441283.db2.gz LXZHJAOVLQAZKC-UHFFFAOYSA-N -1 0 341.367 3.355 20 30 EGEDRM C#Cc1cccnc1[N-]S(=O)(=O)c1ccc(Cl)c(C)c1Cl ZINC001191728548 1367572936 /nfs/dbraw/zinc/57/29/36/1367572936.db2.gz JBOWZFKEKLMZRQ-UHFFFAOYSA-N -1 0 341.219 3.479 20 30 EGEDRM C#Cc1ccc([N-]S(=O)(=O)c2ccc3cc(OC)ccc3c2)cn1 ZINC001191944343 1367646868 /nfs/dbraw/zinc/64/68/68/1367646868.db2.gz IOFFCQLSYOPICI-UHFFFAOYSA-N -1 0 338.388 3.026 20 30 EGEDRM CC1(C)CC(=O)C=C(NC(=O)c2cc(Cl)nc(Cl)c2[O-])C1 ZINC001193100298 1367944763 /nfs/dbraw/zinc/94/47/63/1367944763.db2.gz HKFAOJXSEAVJLT-UHFFFAOYSA-N -1 0 329.183 3.097 20 30 EGEDRM C[C@H](C#N)S(=O)(=O)[N-]c1c(F)cccc1OC1CCCCC1 ZINC001193157869 1367955894 /nfs/dbraw/zinc/95/58/94/1367955894.db2.gz JEYCETLFRHSRHW-LLVKDONJSA-N -1 0 326.393 3.191 20 30 EGEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1ccc(Cl)cc1C#C[Si](C)(C)C ZINC001193160874 1367957144 /nfs/dbraw/zinc/95/71/44/1367957144.db2.gz JECKXLRRMSTKRH-NSHDSACASA-N -1 0 340.908 3.223 20 30 EGEDRM N#Cc1cc(C(=O)NCc2nc(-c3ccccc3)cs2)ccc1[O-] ZINC001193515172 1368051484 /nfs/dbraw/zinc/05/14/84/1368051484.db2.gz KATMIFWEBWZFGX-UHFFFAOYSA-N -1 0 335.388 3.317 20 30 EGEDRM N#Cc1cccc(C(=O)Nc2ccc(OC3CCOCC3)cc2)c1[O-] ZINC001193653287 1368085693 /nfs/dbraw/zinc/08/56/93/1368085693.db2.gz WROAMYDAANYMDP-UHFFFAOYSA-N -1 0 338.363 3.074 20 30 EGEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)c1 ZINC001193681386 1368093300 /nfs/dbraw/zinc/09/33/00/1368093300.db2.gz WGUDSTFDRSRKQD-UHFFFAOYSA-N -1 0 330.409 3.293 20 30 EGEDRM CCCCCCCOC(=O)Nc1nc[n-]c(=O)c1Br ZINC001193993781 1368163342 /nfs/dbraw/zinc/16/33/42/1368163342.db2.gz NGYLRWVMSFXQHT-UHFFFAOYSA-N -1 0 332.198 3.464 20 30 EGEDRM Cc1noc([N-]S(=O)(=O)c2ccc3c(Cl)cccc3c2)c1C#N ZINC001194215487 1368209933 /nfs/dbraw/zinc/20/99/33/1368209933.db2.gz GERHAZNCVZEMHQ-UHFFFAOYSA-N -1 0 347.783 3.462 20 30 EGEDRM Cc1noc([N-]S(=O)(=O)c2cccc3c(Cl)cccc32)c1C#N ZINC001194404318 1368253597 /nfs/dbraw/zinc/25/35/97/1368253597.db2.gz PGBFOUZJZXDVAR-UHFFFAOYSA-N -1 0 347.783 3.462 20 30 EGEDRM COc1ccc(CC2(NC(=O)c3ccc(C#N)cc3[O-])CCC2)cc1 ZINC001195769103 1368486029 /nfs/dbraw/zinc/48/60/29/1368486029.db2.gz VMADRJWTIBAWSB-UHFFFAOYSA-N -1 0 336.391 3.168 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cn2)cc1Cl ZINC001196197416 1368566015 /nfs/dbraw/zinc/56/60/15/1368566015.db2.gz LICLYERTIQNCFF-UHFFFAOYSA-N -1 0 328.180 3.061 20 30 EGEDRM N#Cc1cccc2[nH]nc(NC(=O)c3cc(Cl)c(F)cc3[O-])c21 ZINC001196460545 1368619927 /nfs/dbraw/zinc/61/99/27/1368619927.db2.gz WPXSXGMVVCKNJK-UHFFFAOYSA-N -1 0 330.706 3.185 20 30 EGEDRM COc1ccc(F)c(S(=O)(=O)[N-]c2c(C#N)oc3ccccc32)c1 ZINC001196726854 1368671494 /nfs/dbraw/zinc/67/14/94/1368671494.db2.gz XAMUWLMWTDVQNV-UHFFFAOYSA-N -1 0 346.339 3.253 20 30 EGEDRM COc1cccc(CS(=O)(=O)[N-]c2sc3c(c2C#N)CCC3)c1 ZINC001197347163 1368794054 /nfs/dbraw/zinc/79/40/54/1368794054.db2.gz LSKNYVNNPUBNKL-UHFFFAOYSA-N -1 0 348.449 3.059 20 30 EGEDRM N#Cc1cc(-c2ccccc2)oc1[N-]S(=O)(=O)Cc1cccnc1 ZINC001197423220 1368810029 /nfs/dbraw/zinc/81/00/29/1368810029.db2.gz WIMVIPIFTFEOJV-UHFFFAOYSA-N -1 0 339.376 3.155 20 30 EGEDRM Cc1cc(C#N)c([N-]S(=O)(=O)Cc2c(F)cccc2F)cc1F ZINC001197608880 1368853806 /nfs/dbraw/zinc/85/38/06/1368853806.db2.gz YXFSGMKWTNFYII-UHFFFAOYSA-N -1 0 340.326 3.226 20 30 EGEDRM N#Cc1ccc(NC(=O)c2ccc(C(=O)C(F)(F)F)cc2)c([O-])c1 ZINC001186577227 1387971939 /nfs/dbraw/zinc/97/19/39/1387971939.db2.gz XJMNRHWTTBJCSM-UHFFFAOYSA-N -1 0 334.253 3.261 20 30 EGEDRM COc1cccc(C#N)c1[N-]S(=O)(=O)c1ccc2occc2c1 ZINC001198861199 1369133285 /nfs/dbraw/zinc/13/32/85/1369133285.db2.gz HNPWNPZDBMXBRJ-UHFFFAOYSA-N -1 0 328.349 3.114 20 30 EGEDRM COc1ccc(S(=O)(=O)[N-]c2c(C#N)oc3ccccc32)c(C)c1 ZINC001198907239 1369145654 /nfs/dbraw/zinc/14/56/54/1369145654.db2.gz LXRXQPOIPXZHRF-UHFFFAOYSA-N -1 0 342.376 3.422 20 30 EGEDRM N#Cc1cc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c([O-])cc1F ZINC001186686892 1387998130 /nfs/dbraw/zinc/99/81/30/1387998130.db2.gz LSCBWFYKOZXWBV-UHFFFAOYSA-N -1 0 329.375 3.493 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3cccs3)no2)cc1C#N ZINC001201295661 1369512752 /nfs/dbraw/zinc/51/27/52/1369512752.db2.gz XDWYFSAZRHANCS-UHFFFAOYSA-N -1 0 345.405 3.384 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C#N)cc1C#N ZINC001201316790 1369517052 /nfs/dbraw/zinc/51/70/52/1369517052.db2.gz DJAZIXXOEPLVRN-UHFFFAOYSA-N -1 0 331.784 3.193 20 30 EGEDRM CCOC(=O)c1cc(C#N)c(C)nc1-c1cc(F)c(F)c(C(=O)[O-])c1 ZINC001205996226 1370932969 /nfs/dbraw/zinc/93/29/69/1370932969.db2.gz ATXKSIZLXXETBS-UHFFFAOYSA-N -1 0 346.289 3.082 20 30 EGEDRM CCOC(=O)c1cc(-c2cc(F)c(F)c(C(=O)[O-])c2)ccc1C#N ZINC001206051286 1370949121 /nfs/dbraw/zinc/94/91/21/1370949121.db2.gz JJBAWWJKEDDWBM-UHFFFAOYSA-N -1 0 331.274 3.378 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccn(C3CCCCC3)n2)s1 ZINC001116888692 1370995223 /nfs/dbraw/zinc/99/52/23/1370995223.db2.gz NIDXHVFKPXQOAE-UHFFFAOYSA-N -1 0 336.442 3.122 20 30 EGEDRM N#Cc1ccnc([N-]S(=O)(=O)CCc2cccc3ccccc32)c1 ZINC001187607659 1388129530 /nfs/dbraw/zinc/12/95/30/1388129530.db2.gz DHJQDUOLQKETJH-UHFFFAOYSA-N -1 0 337.404 3.091 20 30 EGEDRM Cc1sc([N-]S(=O)(=O)c2c[nH]c(C(F)(F)F)c2)c(C#N)c1C ZINC001119607264 1371373846 /nfs/dbraw/zinc/37/38/46/1371373846.db2.gz ZROKSFZNYULXNB-UHFFFAOYSA-N -1 0 349.359 3.384 20 30 EGEDRM C=CC[C@@H](NC(=O)Nc1cccc(OCC(F)(F)F)c1C)C(=O)[O-] ZINC001120004673 1371451149 /nfs/dbraw/zinc/45/11/49/1371451149.db2.gz VUPABKVMOXLTRJ-LLVKDONJSA-N -1 0 346.305 3.087 20 30 EGEDRM C=CC[C@@H](NC(=O)Nc1ccc(OC(C)C)cc1Cl)C(=O)[O-] ZINC001120003905 1371451286 /nfs/dbraw/zinc/45/12/86/1371451286.db2.gz NYJLSGDSUMXLSA-CYBMUJFWSA-N -1 0 326.780 3.278 20 30 EGEDRM CC[C@@H](C)n1nc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)cc1C ZINC001122498932 1372260430 /nfs/dbraw/zinc/26/04/30/1372260430.db2.gz CJTOWMLMWPERCO-RISCZKNCSA-N -1 0 348.410 3.178 20 30 EGEDRM N#Cc1ncccc1Nc1ccc2c(cccc2S(=O)(=O)[O-])c1 ZINC001210147251 1372281841 /nfs/dbraw/zinc/28/18/41/1372281841.db2.gz WHZQUYHINXVMRY-UHFFFAOYSA-N -1 0 325.349 3.097 20 30 EGEDRM C[C@@H]1CC(=O)C=C(Nc2cccc3cc(S(=O)(=O)[O-])ccc32)C1 ZINC001210772976 1372424187 /nfs/dbraw/zinc/42/41/87/1372424187.db2.gz PADBBQXXMMIPMX-NSHDSACASA-N -1 0 331.393 3.381 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)cc1F ZINC001187967034 1388200730 /nfs/dbraw/zinc/20/07/30/1388200730.db2.gz PGWZXRFBLNQZAJ-UHFFFAOYSA-N -1 0 346.170 3.200 20 30 EGEDRM COc1c(Nc2cccc(C#CC(C)(C)O)c2)cccc1C(=O)[O-] ZINC001211040061 1372475748 /nfs/dbraw/zinc/47/57/48/1372475748.db2.gz YBRWQBQUFGELJZ-UHFFFAOYSA-N -1 0 325.364 3.259 20 30 EGEDRM COC(=O)c1sc(Nc2cc(C)cc(C(=O)[O-])c2)c(C#N)c1C ZINC001211535186 1372574999 /nfs/dbraw/zinc/57/49/99/1372574999.db2.gz SBVMUXHVIBDIFY-UHFFFAOYSA-N -1 0 330.365 3.465 20 30 EGEDRM CC(=O)Nc1ccc(Nc2ccc(C(=O)[O-])c(F)c2F)cc1C#N ZINC001212514160 1372717719 /nfs/dbraw/zinc/71/77/19/1372717719.db2.gz FQXILNISCATIAB-UHFFFAOYSA-N -1 0 331.278 3.237 20 30 EGEDRM COc1cc(C#N)cc(Nc2ccc(NC(=O)CCC(=O)[O-])cc2)c1 ZINC001213196580 1372857787 /nfs/dbraw/zinc/85/77/87/1372857787.db2.gz MXZYGHLXGOPVQT-UHFFFAOYSA-N -1 0 339.351 3.114 20 30 EGEDRM N#Cc1cnc2ccnn2c1Nc1c(Cl)cc(C(=O)[O-])cc1Cl ZINC001214511905 1373071511 /nfs/dbraw/zinc/07/15/11/1373071511.db2.gz LFVUMWWLNJAMLA-UHFFFAOYSA-N -1 0 348.149 3.350 20 30 EGEDRM CC(C)(O)C#Cc1cccc(Nc2cc(CC(=O)[O-])ccc2F)c1 ZINC001216684111 1373331731 /nfs/dbraw/zinc/33/17/31/1373331731.db2.gz WXWYITHLSFRIJD-UHFFFAOYSA-N -1 0 327.355 3.319 20 30 EGEDRM N#Cc1cc(-c2nc(-c3cccc(-c4ccccn4)n3)no2)ccc1[O-] ZINC001216969891 1373373518 /nfs/dbraw/zinc/37/35/18/1373373518.db2.gz UCVKDJGUKOBUQJ-UHFFFAOYSA-N -1 0 341.330 3.438 20 30 EGEDRM COC(=O)c1ccc2[nH]c(O[C@@H](C#N)c3ccccc3F)nc2c1 ZINC001226260366 1375228757 /nfs/dbraw/zinc/22/87/57/1375228757.db2.gz XZLLHWXOAYHOJR-HNNXBMFYSA-N -1 0 325.299 3.132 20 30 EGEDRM C[C@@H](Oc1[n-]c(=O)nc2ccc(Br)cc21)[C@H](C)S ZINC001226296025 1375234266 /nfs/dbraw/zinc/23/42/66/1375234266.db2.gz UBMBIQRGKBAHOG-RQJHMYQMSA-N -1 0 329.219 3.184 20 30 EGEDRM C=C(C)C[C@@H](Oc1[nH]c(=O)nc2nc(Br)[n-]c21)C(=C)C ZINC001227595895 1375449520 /nfs/dbraw/zinc/44/95/20/1375449520.db2.gz DWAHZPNPTUBHDA-MRVPVSSYSA-N -1 0 339.193 3.111 20 30 EGEDRM Cc1nnc(=S)[n-]c1O[C@@H](C#C[Si](C)(C)C)c1ccccc1 ZINC001227599200 1375450434 /nfs/dbraw/zinc/45/04/34/1375450434.db2.gz UIAKNXUHGHNHSG-AWEZNQCLSA-N -1 0 329.501 3.470 20 30 EGEDRM C=C(C)C[C@H](Oc1c([O-])c(C(=O)OC)sc1C(=O)OC)C(=C)C ZINC001227622723 1375455698 /nfs/dbraw/zinc/45/56/98/1375455698.db2.gz OAYPWOLPFBLGHX-JTQLQIEISA-N -1 0 340.397 3.317 20 30 EGEDRM C=C[C@@H](CCCC)Oc1c([O-])c(C(=O)OC)sc1C(=O)OC ZINC001227623359 1375455971 /nfs/dbraw/zinc/45/59/71/1375455971.db2.gz RTAHSBBCFOSKTD-VIFPVBQESA-N -1 0 328.386 3.151 20 30 EGEDRM C=CC[C@@H](Oc1[n-]c(=O)nc2ncn(C)c21)c1ccc(Cl)cc1 ZINC001228675723 1375636904 /nfs/dbraw/zinc/63/69/04/1375636904.db2.gz WZMPPIGPFBXUFX-GFCCVEGCSA-N -1 0 330.775 3.419 20 30 EGEDRM N#CC1CCC(Oc2[n-]c(C(F)(F)F)cc(=O)c2[N+](=O)[O-])CC1 ZINC001228861590 1375696519 /nfs/dbraw/zinc/69/65/19/1375696519.db2.gz FSLNFYDOLXMAPZ-UHFFFAOYSA-N -1 0 331.250 3.175 20 30 EGEDRM CC[C@H](C)OC(=O)N1CCCC[C@H]1CCOc1[n-]c(=O)ccc1C#N ZINC001228901991 1375710401 /nfs/dbraw/zinc/71/04/01/1375710401.db2.gz OMCYYCUQLXLPNF-ZFWWWQNUSA-N -1 0 347.415 3.217 20 30 EGEDRM COC(=O)[C@@H](Oc1ccc(/C=N/O)cc1OC)c1cccc(Cl)c1 ZINC001233802754 1376719447 /nfs/dbraw/zinc/71/94/47/1376719447.db2.gz ISTYFCUVCKWSKX-JJLFXSABSA-N -1 0 349.770 3.450 20 30 EGEDRM CCc1ccccc1-n1cc([O-])c(C(=O)Nc2cccc(C#N)c2)n1 ZINC001135494964 1377117720 /nfs/dbraw/zinc/11/77/20/1377117720.db2.gz OTPSCKDIBOBQBI-UHFFFAOYSA-N -1 0 332.363 3.264 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(C#N)sc3c2)s1 ZINC001260684188 1377124766 /nfs/dbraw/zinc/12/47/66/1377124766.db2.gz FUMOCVQATFPPFW-UHFFFAOYSA-N -1 0 335.435 3.339 20 30 EGEDRM Cn1[n-]c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1=O ZINC001136454536 1377395000 /nfs/dbraw/zinc/39/50/00/1377395000.db2.gz CCYOOEXVQAVMAW-UHFFFAOYSA-N -1 0 334.335 3.042 20 30 EGEDRM Cc1csc([N-]S(=O)(=O)Cc2ccc(F)c(F)c2)c1C#N ZINC001189263856 1388500823 /nfs/dbraw/zinc/50/08/23/1388500823.db2.gz GAFNQDJBTBMNJN-UHFFFAOYSA-N -1 0 328.365 3.148 20 30 EGEDRM N#Cc1cc(NC(=O)CCc2cnccc2C(F)(F)F)ccc1O ZINC001142338071 1378433862 /nfs/dbraw/zinc/43/38/62/1378433862.db2.gz LMNPLEZGBQLMRC-UHFFFAOYSA-N -1 0 335.285 3.249 20 30 EGEDRM N#Cc1ccc2c(c1)CCN(Cc1ccc(Cl)cc1C(=O)[O-])C2 ZINC001142646976 1378469050 /nfs/dbraw/zinc/46/90/50/1378469050.db2.gz KYBWGBZLTJRAFL-UHFFFAOYSA-N -1 0 326.783 3.468 20 30 EGEDRM N#Cc1ccc(-c2csc(NC(=O)c3cccc(O)c3O)n2)s1 ZINC001148212032 1379134079 /nfs/dbraw/zinc/13/40/79/1379134079.db2.gz IJLJIELKGSFOHR-UHFFFAOYSA-N -1 0 343.389 3.407 20 30 EGEDRM N#Cc1cc(NC(=O)c2nc3ccccc3nc2Cl)c([O-])cc1F ZINC001152164030 1379875924 /nfs/dbraw/zinc/87/59/24/1379875924.db2.gz KKLBHZXMUANPSL-UHFFFAOYSA-N -1 0 342.717 3.252 20 30 EGEDRM C=CC[C@@H](NC(=O)[C@@H](CC)Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001327984090 1388639393 /nfs/dbraw/zinc/63/93/93/1388639393.db2.gz BMTDHQDKRWZRJP-GXTWGEPZSA-N -1 0 343.345 3.420 20 30 EGEDRM Cc1ccc2ncc([O-])c(C(=O)Nc3ccc(C#N)cc3C#N)c2c1 ZINC001154532231 1380298822 /nfs/dbraw/zinc/29/88/22/1380298822.db2.gz JZYXUEUOPABWFQ-UHFFFAOYSA-N -1 0 328.331 3.244 20 30 EGEDRM N#Cc1ccc2[n-]c(C(=O)Nc3cc(O)cc(Cl)c3)cc(=O)c2c1 ZINC001154557419 1380305504 /nfs/dbraw/zinc/30/55/04/1380305504.db2.gz LTBZQHXKNHKKNK-UHFFFAOYSA-N -1 0 339.738 3.011 20 30 EGEDRM C=CCOc1cc(C)nc(Nc2c(C)c(=O)[n-]n2-c2ccccc2)n1 ZINC001163110493 1382968395 /nfs/dbraw/zinc/96/83/95/1382968395.db2.gz CWHBMFNEHLUKQQ-UHFFFAOYSA-N -1 0 337.383 3.293 20 30 EGEDRM N#CCc1nn(-c2ccccc2)c(Nc2cccc(C(=O)[O-])c2)c1C#N ZINC001175330210 1385254735 /nfs/dbraw/zinc/25/47/35/1385254735.db2.gz IKKWIQPHIUTYJX-UHFFFAOYSA-N -1 0 343.346 3.252 20 30 EGEDRM N#Cc1cnn(-c2ccc(Cl)cc2)c1Nc1cncc(C(=O)[O-])c1 ZINC001175840348 1385419315 /nfs/dbraw/zinc/41/93/15/1385419315.db2.gz LZYHCFGFWMXTEN-UHFFFAOYSA-N -1 0 339.742 3.234 20 30 EGEDRM COC(=O)c1ccc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)c(C#N)c1 ZINC001176588135 1385633152 /nfs/dbraw/zinc/63/31/52/1385633152.db2.gz JJMLBCVMHOXAMC-UHFFFAOYSA-N -1 0 336.347 3.205 20 30 EGEDRM CCOC(=O)c1c(C)oc(Nc2ccc(/C=C/C(=O)[O-])cc2)c1C#N ZINC001176594458 1385636754 /nfs/dbraw/zinc/63/67/54/1385636754.db2.gz RTLWYPKPIMQSRV-RMKNXTFCSA-N -1 0 340.335 3.478 20 30 EGEDRM C=CC[C@H](NC(=O)c1cc(SC)c(Cl)cc1Cl)C(=O)[O-] ZINC001321167072 1386828093 /nfs/dbraw/zinc/82/80/93/1386828093.db2.gz POPDTPNPDIXCAF-JTQLQIEISA-N -1 0 334.224 3.474 20 30 EGEDRM N#Cc1cc(NC(=O)CSCc2ccc(F)cc2)c([O-])cc1F ZINC001180568910 1386837805 /nfs/dbraw/zinc/83/78/05/1386837805.db2.gz IWYAINXZOLQMER-UHFFFAOYSA-N -1 0 334.347 3.414 20 30 EGEDRM C=CC[C@@H](NC(=O)CCc1ccc(-c2ccccc2F)o1)C(=O)[O-] ZINC001321206317 1386840475 /nfs/dbraw/zinc/84/04/75/1386840475.db2.gz NISWQTCRQUWQRC-OAHLLOKOSA-N -1 0 331.343 3.164 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)CC2(C#N)CCCCC2)n1 ZINC001330276434 1389375172 /nfs/dbraw/zinc/37/51/72/1389375172.db2.gz AZQSAWQEVXYRCU-CYBMUJFWSA-N -1 0 345.424 3.035 20 30 EGEDRM COc1cc(/C=C\C(=O)c2cccc(OCC(=O)[O-])c2)ccc1F ZINC001341112694 1390442329 /nfs/dbraw/zinc/44/23/29/1390442329.db2.gz ROLWJDZSEAYXRY-VURMDHGXSA-N -1 0 330.311 3.194 20 30 EGEDRM CC(C)Cn1ncc(C([O-])=C(C#N)c2cccc(F)n2)c1C1CC1 ZINC001342573079 1390627728 /nfs/dbraw/zinc/62/77/28/1390627728.db2.gz CXBXRWXPEQNCGS-CYBMUJFWSA-N -1 0 326.375 3.441 20 30 EGEDRM C=CC[C@@H](NC(=O)N[C@@H](C)c1nc(-c2ccccc2)cs1)C(=O)[O-] ZINC001344466053 1390793035 /nfs/dbraw/zinc/79/30/35/1390793035.db2.gz XHQVQMKUVYRVCU-WCQYABFASA-N -1 0 345.424 3.200 20 30 EGEDRM C=CC[C@@H](NC(=O)[C@@H](CC)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC001344553861 1390799150 /nfs/dbraw/zinc/79/91/50/1390799150.db2.gz VNBFLHHLJWLKEJ-QWHCGFSZSA-N -1 0 329.318 3.345 20 30 EGEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1cccc(C#N)c1C)c1ccccc1 ZINC001344799951 1390815644 /nfs/dbraw/zinc/81/56/44/1390815644.db2.gz WKHPQZUKPFEXOL-RTBURBONSA-N -1 0 345.402 3.457 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)cc1C#N ZINC001348628322 1391245688 /nfs/dbraw/zinc/24/56/88/1391245688.db2.gz CYTTVNNEZKFALO-MBNYWOFBSA-N -1 0 345.468 3.469 20 30 EGEDRM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1ccccc1OC(F)F ZINC000826402017 1428714565 /nfs/dbraw/zinc/71/45/65/1428714565.db2.gz LKJWKYQBAPHJAA-MDZDMXLPSA-N -1 0 342.305 3.364 20 30 EGEDRM N#C[C@H](c1ccccc1)[C@H]1CCCN1c1cccc(F)c1-c1nn[n-]n1 ZINC000822801451 1429303127 /nfs/dbraw/zinc/30/31/27/1429303127.db2.gz JQWJZYBMIPZOGI-GDBMZVCRSA-N -1 0 348.385 3.282 20 30 EGEDRM C=C[C@H](CC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000823883030 1429474195 /nfs/dbraw/zinc/47/41/95/1429474195.db2.gz IXCBGESPVPZZRH-HUUCEWRRSA-N -1 0 347.422 3.404 20 30 EGEDRM Clc1cc(-c2nn[n-]n2)cc(N=NC2C3CC4CC(C3)CC2C4)n1 ZINC000826350019 1424771937 /nfs/dbraw/zinc/77/19/37/1424771937.db2.gz FDCLACQUABTESE-UHFFFAOYSA-N -1 0 343.822 3.139 20 30 EGEDRM O=C1c2ccccc2SCC1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826475586 1424977699 /nfs/dbraw/zinc/97/76/99/1424977699.db2.gz KKMPMXXMSIXQEQ-XFFZJAGNSA-N -1 0 338.367 3.378 20 30 EGEDRM COc1ccsc1C=NNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826221787 1424993636 /nfs/dbraw/zinc/99/36/36/1424993636.db2.gz UZDLRBBKOUXVLL-UHFFFAOYSA-N -1 0 334.792 3.036 20 30 EGEDRM N#Cc1ccccc1OCCSc1ccc(-c2nn[n-]n2)cc1F ZINC000737727407 1425791890 /nfs/dbraw/zinc/79/18/90/1425791890.db2.gz KRGJXIIMIKVRDL-UHFFFAOYSA-N -1 0 341.371 3.049 20 30 EGEDRM C(=NNc1ccc(-c2nn[n-]n2)cc1)c1cccn1Cc1cccs1 ZINC000823861898 1426473089 /nfs/dbraw/zinc/47/30/89/1426473089.db2.gz SKMRHRWXOVXESU-UHFFFAOYSA-N -1 0 349.423 3.224 20 30 EGEDRM CC(C)CCCCCC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000820072692 1426513305 /nfs/dbraw/zinc/51/33/05/1426513305.db2.gz KTRJVMPTQXHDAP-UHFFFAOYSA-N -1 0 326.404 3.283 20 30 EGEDRM CC(C)(C#N)c1ccccc1COC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000819891626 1426783640 /nfs/dbraw/zinc/78/36/40/1426783640.db2.gz DWYHMVYQSJSZFW-UHFFFAOYSA-N -1 0 347.378 3.025 20 30 EGEDRM CCCCCCCCOCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000736446426 1426892255 /nfs/dbraw/zinc/89/22/55/1426892255.db2.gz BCQJWIFGYRMVTR-UHFFFAOYSA-N -1 0 331.420 3.182 20 30 EGEDRM Cc1cccc(C=NNc2ccc(-c3nn[n-]n3)cc2)c1OC(F)F ZINC000826297319 1426965100 /nfs/dbraw/zinc/96/51/00/1426965100.db2.gz BORYIXSJTCKXJI-UHFFFAOYSA-N -1 0 344.325 3.223 20 30 EGEDRM N#Cc1ccc(Sc2snc(Cl)c2-c2nn[n-]n2)c(F)c1 ZINC000826386171 1427430184 /nfs/dbraw/zinc/43/01/84/1427430184.db2.gz SFFIFSLAAPZCHT-UHFFFAOYSA-N -1 0 338.780 3.139 20 30 EGEDRM C[C@H]1CCC[C@@H](CN=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)C1 ZINC000824928215 1427698222 /nfs/dbraw/zinc/69/82/22/1427698222.db2.gz SIKXXKLZMDRTFA-WDEREUQCSA-N -1 0 331.424 3.376 20 30 EGEDRM Cc1c(C(=O)C=Cc2ccccc2C)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737424226 1441496931 /nfs/dbraw/zinc/49/69/31/1441496931.db2.gz UMDHVCQMNJLQCR-KTKRTIGZSA-N -1 0 333.395 3.127 20 30 EGEDRM O=C(C=Cc1cnc(C2CCC2)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000822935037 1441604949 /nfs/dbraw/zinc/60/49/49/1441604949.db2.gz GCUMBGFGSBOIBH-CMDGGOBGSA-N -1 0 337.408 3.487 20 30 EGEDRM CCCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1cccc(C#N)c1 ZINC000825351273 1441750580 /nfs/dbraw/zinc/75/05/80/1441750580.db2.gz BHSDOKLEECIENA-UHFFFAOYSA-N -1 0 329.367 3.165 20 30 EGEDRM CC(C)(C)c1ccccc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000819958817 1441814602 /nfs/dbraw/zinc/81/46/02/1441814602.db2.gz QUDJHPAXSAAZJY-UHFFFAOYSA-N -1 0 346.394 3.288 20 30 EGEDRM O=C1c2cc(F)ccc2OCCC1=Cc1ccc(-c2nn[n-]n2)s1 ZINC000823504827 1442059535 /nfs/dbraw/zinc/05/95/35/1442059535.db2.gz VCJUIAFIRFGBDZ-CLFYSBASSA-N -1 0 342.355 3.116 20 30 EGEDRM C=CCCCOC(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000819740185 1442170192 /nfs/dbraw/zinc/17/01/92/1442170192.db2.gz SIKACLCKZRMYIV-UHFFFAOYSA-N -1 0 326.278 3.009 20 30 EGEDRM CC(=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccncc1 ZINC000735450882 1442331176 /nfs/dbraw/zinc/33/11/76/1442331176.db2.gz ICHJKXURTBFHRU-UHFFFAOYSA-N -1 0 347.304 3.117 20 30 EGEDRM CCCCCCCn1c(C)nnc1-c1cccc(-c2nn[n-]n2)c1 ZINC000736449285 1442439330 /nfs/dbraw/zinc/43/93/30/1442439330.db2.gz UINSTFKMPRSEBS-UHFFFAOYSA-N -1 0 325.420 3.404 20 30 EGEDRM Fc1ccc(C=NNc2ccc(-c3nn[n-]n3)cc2)c2ncccc12 ZINC000822766825 1443348152 /nfs/dbraw/zinc/34/81/52/1443348152.db2.gz OJTLXSIWNJMXFB-UHFFFAOYSA-N -1 0 333.330 3.000 20 30 EGEDRM CC(C)c1nc(-c2nn[n-]n2)c(N=NC[C@@H]2CCc3ccccc32)o1 ZINC000824352527 1443419279 /nfs/dbraw/zinc/41/92/79/1443419279.db2.gz HCHWGEHVBQONDJ-LBPRGKRZSA-N -1 0 337.387 3.106 20 30 EGEDRM Brc1ccc(NN=Cc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000819688998 1443560850 /nfs/dbraw/zinc/56/08/50/1443560850.db2.gz SBYWJIGOOYYPDO-UHFFFAOYSA-N -1 0 349.217 3.137 20 30 EGEDRM Clc1cc(-c2nn[n-]n2)cc(N=NC2CCC[C@@H](C3CC3)C2)n1 ZINC000826349988 1443602837 /nfs/dbraw/zinc/60/28/37/1443602837.db2.gz CIOFMIUTDHHTKQ-SNVBAGLBSA-N -1 0 331.811 3.283 20 30 EGEDRM C=CCC[C@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000819734376 1443760413 /nfs/dbraw/zinc/76/04/13/1443760413.db2.gz NFMRYMKRMFDALC-SFHVURJKSA-N -1 0 347.422 3.233 20 30 EGEDRM CC(=NNc1ccc2ccccc2n1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823958544 1446806722 /nfs/dbraw/zinc/80/67/22/1446806722.db2.gz QAAMIVOYLKXBGW-UHFFFAOYSA-N -1 0 347.357 3.390 20 30 EGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H](CCC)C(C)C ZINC000823909700 1446873173 /nfs/dbraw/zinc/87/31/73/1446873173.db2.gz NWCHDJNKNXYQFS-QGZVFWFLSA-N -1 0 341.459 3.454 20 30 EGEDRM O=C(C=Cc1cc(F)cc(F)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826399880 1446967285 /nfs/dbraw/zinc/96/72/85/1446967285.db2.gz IYCPONUETOKEKR-RJRFIUFISA-N -1 0 330.269 3.180 20 30 EGEDRM O=C1C(=Cc2ccc(-c3nn[n-]n3)s2)CCc2ccc(F)cc21 ZINC000826475879 1447173591 /nfs/dbraw/zinc/17/35/91/1447173591.db2.gz UXAYPKHCYHIERJ-JXMROGBWSA-N -1 0 326.356 3.280 20 30 EGEDRM C=CCOc1cccc(NC(=O)N[C@](C)(C(=O)[O-])c2ccccc2)c1 ZINC000797739813 939202209 /nfs/dbraw/zinc/20/22/09/939202209.db2.gz NYQJUFVKBCIRTD-IBGZPJMESA-N -1 0 340.379 3.373 20 30 EGEDRM C=CCOCCCC(=O)N[C@@H](C(=O)[O-])c1cccc2ccccc21 ZINC000910937357 939761412 /nfs/dbraw/zinc/76/14/12/939761412.db2.gz SEPQUQNXWDZRIL-GOSISDBHSA-N -1 0 327.380 3.065 20 30 EGEDRM C=CCOc1ccc(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)cc1 ZINC000325564875 971227069 /nfs/dbraw/zinc/22/70/69/971227069.db2.gz KKNKIPYUVYGNGP-UHFFFAOYSA-N -1 0 333.290 3.480 20 30 EGEDRM C=CCCO[C@@H](C)C(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](C)C2 ZINC001602721955 971384673 /nfs/dbraw/zinc/38/46/73/971384673.db2.gz JUXXZXMZCJRREG-QWRGUYRKSA-N -1 0 337.441 3.491 20 30 EGEDRM C[C@H](C(=O)[O-])C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 ZINC001602795733 971558391 /nfs/dbraw/zinc/55/83/91/971558391.db2.gz NGNQGQOKXOZREH-XPUUQOCRSA-N -1 0 342.298 3.212 20 30 EGEDRM CCCC[C@H](ON=C(C)C)C(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC001589640045 949679909 /nfs/dbraw/zinc/67/99/09/949679909.db2.gz WDQLZNPHLBXMSV-DLBZAZTESA-N -1 0 346.427 3.168 20 30 EGEDRM CC(C)[C@H](CNc1ccc(C#N)c(Br)c1F)C(=O)[O-] ZINC000231842395 949757312 /nfs/dbraw/zinc/75/73/12/949757312.db2.gz QQBUKKYRDBOXDU-VIFPVBQESA-N -1 0 329.169 3.229 20 30 EGEDRM CC(C)C[C@@H](Nc1ccc(C#N)c(Br)c1F)C(=O)[O-] ZINC000231842104 949757359 /nfs/dbraw/zinc/75/73/59/949757359.db2.gz AEKKLXRLOQGNQB-SNVBAGLBSA-N -1 0 329.169 3.371 20 30 EGEDRM CCC(CC)(CNc1ncc(C#N)cc1Br)C(=O)[O-] ZINC001589506960 955038118 /nfs/dbraw/zinc/03/81/18/955038118.db2.gz JRFHAKJBYATHEO-UHFFFAOYSA-N -1 0 326.194 3.019 20 30 EGEDRM N#CC1(CNC(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)CCCCC1 ZINC001594603599 956156512 /nfs/dbraw/zinc/15/65/12/956156512.db2.gz GHLMRGCEUPNCJB-HZPDHXFCSA-N -1 0 341.411 3.073 20 30 EGEDRM N#CCSc1cccc(C(=O)OCc2ccc(C(=O)[O-])cc2)c1 ZINC001594611645 956218283 /nfs/dbraw/zinc/21/82/83/956218283.db2.gz VNRFPVMUCZPTSZ-UHFFFAOYSA-N -1 0 327.361 3.357 20 30 EGEDRM N#Cc1c[nH]c2cc(C(=O)N[C@@H]3C[C@@H](C(=O)[O-])c4ccccc43)ccc12 ZINC001594614380 956230169 /nfs/dbraw/zinc/23/01/69/956230169.db2.gz SZJVJXGMAYBNIA-SJLPKXTDSA-N -1 0 345.358 3.083 20 30 EGEDRM N#Cc1ccc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1Cl ZINC001594617946 956257384 /nfs/dbraw/zinc/25/73/84/956257384.db2.gz UBRXWJILALUWDF-ZBFHGGJFSA-N -1 0 340.766 3.255 20 30 EGEDRM N#Cc1ccc(F)c(C(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)c1 ZINC001594619762 956270916 /nfs/dbraw/zinc/27/09/16/956270916.db2.gz NGDKQFGLMLLHEO-UHFFFAOYSA-N -1 0 336.681 3.440 20 30 EGEDRM CC(C)(C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1)c1ccc(C#N)cc1 ZINC000902070641 956640287 /nfs/dbraw/zinc/64/02/87/956640287.db2.gz UADULTLZTPXZPG-SFHVURJKSA-N -1 0 348.402 3.046 20 30 EGEDRM Cc1cc(C(=O)[O-])cc(C(=O)NCc2ccc(C#N)c(Cl)c2)c1 ZINC001594284991 957770544 /nfs/dbraw/zinc/77/05/44/957770544.db2.gz DRJRSNLZYBMJBH-UHFFFAOYSA-N -1 0 328.755 3.148 20 30 EGEDRM C#C[C@H](NC(=O)Nc1ccnc(C(=O)[O-])c1)c1ccc(Cl)cc1F ZINC001588386342 957976290 /nfs/dbraw/zinc/97/62/90/957976290.db2.gz OUAHLXCVAUPJKE-ZDUSSCGKSA-N -1 0 347.733 3.068 20 30 EGEDRM Cc1cc(F)c(C(F)(F)F)cc1NC(=O)[C@](C)(C#N)CC(=O)[O-] ZINC001594310477 958007844 /nfs/dbraw/zinc/00/78/44/958007844.db2.gz FDGZHXYMIXPTPQ-ZDUSSCGKSA-N -1 0 332.253 3.096 20 30 EGEDRM C#CCN(C/C=C\c1ccc(OCc2ccccc2)cc1)CC(=O)[O-] ZINC001588432279 958278766 /nfs/dbraw/zinc/27/87/66/958278766.db2.gz IQIJJSVILPEIQE-TWGQIWQCSA-N -1 0 335.403 3.299 20 30 EGEDRM Cc1ccc(C#N)cc1NCc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1 ZINC001594342513 958304134 /nfs/dbraw/zinc/30/41/34/958304134.db2.gz BESWWKNTZUFPRA-HNNXBMFYSA-N -1 0 339.395 3.373 20 30 EGEDRM C=CCOCCN1CC[C@@H](C(=O)[O-])c2cc(Br)ccc21 ZINC001588465156 958496556 /nfs/dbraw/zinc/49/65/56/958496556.db2.gz NODOTXHJGUDFLX-GFCCVEGCSA-N -1 0 340.217 3.030 20 30 EGEDRM C=CCOc1ccc(Br)cc1NC(=O)CCCC(=O)[O-] ZINC001588466390 958511939 /nfs/dbraw/zinc/51/19/39/958511939.db2.gz NQMWZYRPQRVEQY-UHFFFAOYSA-N -1 0 342.189 3.207 20 30 EGEDRM C=CCOc1ccc(CC(=O)N2CCCC[C@H]2CCC(=O)[O-])cc1 ZINC001588466374 958512058 /nfs/dbraw/zinc/51/20/58/958512058.db2.gz MSUZVPCNPDGCCI-INIZCTEOSA-N -1 0 331.412 3.040 20 30 EGEDRM C=CCc1cc(OC)ccc1OC(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001588470749 958531004 /nfs/dbraw/zinc/53/10/04/958531004.db2.gz UGNHTOFQPDPJHR-YFHOEESVSA-N -1 0 328.320 3.334 20 30 EGEDRM C=CCn1ncc2ccc(NC(=O)c3coc(/C=C\C(=O)[O-])c3)cc21 ZINC001588474760 958559067 /nfs/dbraw/zinc/55/90/67/958559067.db2.gz PIOMFCWDZIXATQ-WAYWQWQTSA-N -1 0 337.335 3.165 20 30 EGEDRM CC(C)(C)[C@@H]1CCc2nc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])sc2C1 ZINC001588539974 958957105 /nfs/dbraw/zinc/95/71/05/958957105.db2.gz IXPPVWOEZYCDPC-BMLIUANNSA-N -1 0 349.456 3.237 20 30 EGEDRM N#CCSc1ccccc1C(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC000391926314 972391040 /nfs/dbraw/zinc/39/10/40/972391040.db2.gz QYWKVGGGGDFYJS-UHFFFAOYSA-N -1 0 338.388 3.203 20 30 EGEDRM C[C@H](C(=O)[O-])C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N ZINC001588575528 959219544 /nfs/dbraw/zinc/21/95/44/959219544.db2.gz FKUCIDXYQJSSHJ-QMMMGPOBSA-N -1 0 346.330 3.370 20 30 EGEDRM C[C@@H](NC(=O)Nc1ccc(Sc2ccccc2C#N)cc1)C(=O)[O-] ZINC001594204020 959264486 /nfs/dbraw/zinc/26/44/86/959264486.db2.gz ZACNJUIFKYEMQV-LLVKDONJSA-N -1 0 341.392 3.304 20 30 EGEDRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)c2ccccc2-c2ccccc2C#N)C1 ZINC001573699977 959822629 /nfs/dbraw/zinc/82/26/29/959822629.db2.gz YGIKJEZVIUBEOL-HOCLYGCPSA-N -1 0 348.402 3.408 20 30 EGEDRM CCC(CC)(C(=O)[O-])C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC001573776473 960689325 /nfs/dbraw/zinc/68/93/25/960689325.db2.gz RSZKELZDOVUETH-UHFFFAOYSA-N -1 0 326.396 3.065 20 30 EGEDRM Cc1cc(F)c(C#N)cc1NC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001574330853 960885949 /nfs/dbraw/zinc/88/59/49/960885949.db2.gz SNGOTFMUFHJVEM-UHFFFAOYSA-N -1 0 327.315 3.277 20 30 EGEDRM C=CCCC[C@@H](C)NC(=O)c1cc(C(=O)[O-])nn1-c1ccccc1 ZINC001324489376 961036469 /nfs/dbraw/zinc/03/64/69/961036469.db2.gz WBCRBXGIZOQTRV-CYBMUJFWSA-N -1 0 327.384 3.045 20 30 EGEDRM N#C[C@@H](CCc1ccccc1)C(=O)NC1(CC(=O)[O-])CCCCC1 ZINC001574475205 961645726 /nfs/dbraw/zinc/64/57/26/961645726.db2.gz WZKFSMKXGJKNAB-MRXNPFEDSA-N -1 0 328.412 3.053 20 30 EGEDRM N#Cc1ccc(C2(C(=O)Nc3cncc(C(=O)[O-])c3)CCCC2)cc1 ZINC001574486400 961685892 /nfs/dbraw/zinc/68/58/92/961685892.db2.gz WROMNIHTCVLDMV-UHFFFAOYSA-N -1 0 335.363 3.102 20 30 EGEDRM C#CC[C@H](NC(=O)c1ccc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)[O-] ZINC001573302986 962666950 /nfs/dbraw/zinc/66/69/50/962666950.db2.gz IRTBXYMGABPMCX-HNNXBMFYSA-N -1 0 339.391 3.450 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)c1sc(-c2ccccc2F)nc1C)C(=O)[O-] ZINC001573323545 962773630 /nfs/dbraw/zinc/77/36/30/962773630.db2.gz CLIBVCAHOMOCLG-CYBMUJFWSA-N -1 0 348.399 3.407 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3)C(=O)[O-] ZINC001573324806 962790263 /nfs/dbraw/zinc/79/02/63/962790263.db2.gz YXNUMOVASUHJKZ-KPZWWZAWSA-N -1 0 340.423 3.442 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC001573332651 962839047 /nfs/dbraw/zinc/83/90/47/962839047.db2.gz QGGXDXBKCDCGOZ-AWEZNQCLSA-N -1 0 339.844 3.454 20 30 EGEDRM C=CC[C@@H](Cc1ccccc1)NC(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001573350044 962962512 /nfs/dbraw/zinc/96/25/12/962962512.db2.gz AEWXUUKJPDMQFE-QKLQHJQFSA-N -1 0 342.439 3.213 20 30 EGEDRM C=CC[C@H](C(=O)Nc1ccc2cnn(CC(=O)[O-])c2c1)c1ccccc1 ZINC001573350103 962963518 /nfs/dbraw/zinc/96/35/18/962963518.db2.gz BLIARVVPAITOEW-KRWDZBQOSA-N -1 0 349.390 3.419 20 30 EGEDRM C=CCC(F)(F)C(=O)Nc1ccc(Br)cc1C(=O)[O-] ZINC001573350974 962974587 /nfs/dbraw/zinc/97/45/87/962974587.db2.gz OCYKTGPDMVIBOI-UHFFFAOYSA-N -1 0 334.116 3.297 20 30 EGEDRM C=CCCN(OCc1ccccc1)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001573360387 963036806 /nfs/dbraw/zinc/03/68/06/963036806.db2.gz NJLCHSHQZAZWEC-UHFFFAOYSA-N -1 0 341.367 3.322 20 30 EGEDRM C=CCCCCn1c(N2CCC[C@@H](C(=O)[O-])C2)nnc1C(C)(C)C ZINC001573366683 963061326 /nfs/dbraw/zinc/06/13/26/963061326.db2.gz OHXORNJWMDZZDJ-CQSZACIVSA-N -1 0 334.464 3.233 20 30 EGEDRM C=CCCCCCCNS(=O)(=O)c1c(C)oc(C)c1C(=O)[O-] ZINC000320578077 970680640 /nfs/dbraw/zinc/68/06/40/970680640.db2.gz TXRCINQOABMQSG-UHFFFAOYSA-N -1 0 329.418 3.009 20 30 EGEDRM Cc1cc(N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)n2c3ccccc3nc2c1C#N ZINC001605186957 972903206 /nfs/dbraw/zinc/90/32/06/972903206.db2.gz KMUDKNXDGWGEKU-DOMZBBRYSA-N -1 0 348.406 3.215 20 30 EGEDRM Cc1cc(OC(=O)c2coc(/C=C\C(=O)[O-])c2)c(C)c(C)c1C#N ZINC001605216603 972961643 /nfs/dbraw/zinc/96/16/43/972961643.db2.gz HBVSRQXHNSIVAF-PLNGDYQASA-N -1 0 325.320 3.394 20 30 EGEDRM N#CC1(CCCN2CC[C@@H](C(=O)[O-])c3ccccc32)CCOCC1 ZINC001605576397 973846428 /nfs/dbraw/zinc/84/64/28/973846428.db2.gz MNTGDEWHYMYOLF-MRXNPFEDSA-N -1 0 328.412 3.165 20 30 EGEDRM N#Cc1ccc(Nc2cccc(C(=O)N[C@H]3CCC[C@H]3C(=O)[O-])c2)cc1 ZINC001605611999 973922960 /nfs/dbraw/zinc/92/29/60/973922960.db2.gz DBVQMBYMXGNJHB-MSOLQXFVSA-N -1 0 349.390 3.285 20 30 EGEDRM N#Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2CC[C@H]2C(=O)[O-])cc1 ZINC001605619935 973940963 /nfs/dbraw/zinc/94/09/63/973940963.db2.gz MDPUGKYJLPIXIS-HZPDHXFCSA-N -1 0 336.347 3.400 20 30 EGEDRM CC(C)Oc1ccc(NC(=O)c2cc(C#N)cs2)c(C(=O)[O-])c1 ZINC001591788116 975967490 /nfs/dbraw/zinc/96/74/90/975967490.db2.gz NBZFTJWFTDFDQV-UHFFFAOYSA-N -1 0 330.365 3.357 20 30 EGEDRM CC(C)c1nn(C)c(Cl)c1C=NNc1cccc(C(=O)[O-])c1F ZINC001592044311 976779554 /nfs/dbraw/zinc/77/95/54/976779554.db2.gz XHCNZCQMFOUQAR-UHFFFAOYSA-N -1 0 338.770 3.480 20 30 EGEDRM C[C@H](CC#N)C(=O)OCc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001592222534 977408093 /nfs/dbraw/zinc/40/80/93/977408093.db2.gz YBFZWQMTHRRBEH-SNVBAGLBSA-N -1 0 330.365 3.101 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1NN=C(C)c1cccc([N+](=O)[O-])c1 ZINC000756898817 978700535 /nfs/dbraw/zinc/70/05/35/978700535.db2.gz DAUGMIZMIZUPFT-UHFFFAOYSA-N -1 0 329.312 3.138 20 30 EGEDRM COc1ccc2nc(C=NNc3cccc(C(=O)[O-])c3)sc2c1 ZINC000788698502 978797593 /nfs/dbraw/zinc/79/75/93/978797593.db2.gz CQXQIKDSZXBDHE-UHFFFAOYSA-N -1 0 327.365 3.449 20 30 EGEDRM CCOc1c(C=NNc2ccccc2C(=O)[O-])c(C)nn1CC(C)C ZINC000812446246 978869765 /nfs/dbraw/zinc/86/97/65/978869765.db2.gz UUZZIKCFJUHDQD-UHFFFAOYSA-N -1 0 344.415 3.390 20 30 EGEDRM C#Cc1cccc(NC(=O)c2cc(Br)cc(C(=O)[O-])c2)c1 ZINC000812700593 978870734 /nfs/dbraw/zinc/87/07/34/978870734.db2.gz LOJCLLIFSRQQSP-UHFFFAOYSA-N -1 0 344.164 3.381 20 30 EGEDRM Cc1ccc(C(C)C)c2c1C(N=Nc1ccc(C(=O)[O-])cn1)CO2 ZINC000814890268 978896601 /nfs/dbraw/zinc/89/66/01/978896601.db2.gz KHCMOXJCACHZHN-UHFFFAOYSA-N -1 0 325.368 3.420 20 30 EGEDRM CC[C@H](C)n1nc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1C ZINC001595021571 979098114 /nfs/dbraw/zinc/09/81/14/979098114.db2.gz AUXRSYYRRPLHIV-ZBEGNZNMSA-N -1 0 341.367 3.017 20 30 EGEDRM C[C@@H](Cc1ccc(NC(=O)Cc2ccccc2CC#N)cc1)C(=O)[O-] ZINC001592857866 979667082 /nfs/dbraw/zinc/66/70/82/979667082.db2.gz AMXQCBGTTHOGLH-AWEZNQCLSA-N -1 0 336.391 3.197 20 30 EGEDRM C[C@H](Cc1ccc(NC(=O)N2Cc3ccc(C#N)cc3C2)cc1)C(=O)[O-] ZINC001592867382 979714816 /nfs/dbraw/zinc/71/48/16/979714816.db2.gz PGRBNFCLCBCEES-CYBMUJFWSA-N -1 0 349.390 3.369 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)c1oc2ccccc2c1CSC)C(=O)[O-] ZINC000864187519 979833699 /nfs/dbraw/zinc/83/36/99/979833699.db2.gz MNZNNPGROKRSGS-CYBMUJFWSA-N -1 0 333.409 3.445 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)c1cccc(NC(=O)OC(C)(C)C)c1)C(=O)[O-] ZINC000864188896 979838681 /nfs/dbraw/zinc/83/86/81/979838681.db2.gz XHAOFOCDCJMEEB-CQSZACIVSA-N -1 0 348.399 3.183 20 30 EGEDRM C[C@H]1CN(C(=O)Nc2ccc(C3CC3)c(C#N)c2)CC[C@H]1C(=O)[O-] ZINC000887393248 980220977 /nfs/dbraw/zinc/22/09/77/980220977.db2.gz VAXFCWKQBPHCAW-XHDPSFHLSA-N -1 0 327.384 3.010 20 30 EGEDRM CC[C@H](OC1CCCC1)C(=O)OCC#Cc1cccc(C(=O)[O-])c1 ZINC001595355670 980704448 /nfs/dbraw/zinc/70/44/48/980704448.db2.gz INGXLVSVESEYHL-KRWDZBQOSA-N -1 0 330.380 3.017 20 30 EGEDRM CC[C@@H](C(=O)[O-])N(C(=O)c1ccc(F)c(C#N)c1)c1ccccc1 ZINC001594770173 981736707 /nfs/dbraw/zinc/73/67/07/981736707.db2.gz HRLVRGNJAVCOOM-INIZCTEOSA-N -1 0 326.327 3.207 20 30 EGEDRM C#CC[C@H](NC(=O)C1(c2ccc(Cl)c(Cl)c2)CCC1)C(=O)[O-] ZINC000910054665 981746870 /nfs/dbraw/zinc/74/68/70/981746870.db2.gz VZAAKZFAVIGFPN-ZDUSSCGKSA-N -1 0 340.206 3.008 20 30 EGEDRM CCCC[C@H](ON=C(C)C)C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001595651426 982021484 /nfs/dbraw/zinc/02/14/84/982021484.db2.gz GCXMAYUGMULWNB-RVKKMQEKSA-N -1 0 338.448 3.061 20 30 EGEDRM CCCCCCCCc1nnc(NC(=O)NC2(C(=O)[O-])CC2)s1 ZINC001595704442 982275344 /nfs/dbraw/zinc/27/53/44/982275344.db2.gz NLCZZAVTBYPRTL-UHFFFAOYSA-N -1 0 340.449 3.180 20 30 EGEDRM CCCCCCCCC(=O)N1CC(=O)Nc2cc(C(=O)[O-])ccc21 ZINC001595704925 982280605 /nfs/dbraw/zinc/28/06/05/982280605.db2.gz LCJKDYZFZCUESK-UHFFFAOYSA-N -1 0 332.400 3.421 20 30 EGEDRM CCCCCCCS(=O)(=O)N[C@H](C(=O)[O-])c1ccc(F)c(C)c1 ZINC001595709259 982292458 /nfs/dbraw/zinc/29/24/58/982292458.db2.gz YNYUCABWYOZFCE-HNNXBMFYSA-N -1 0 345.436 3.150 20 30 EGEDRM C[C@@H](Oc1ccc(NC(=O)[C@@]2(C#N)CC23CCCC3)cc1F)C(=O)[O-] ZINC000923098687 982723143 /nfs/dbraw/zinc/72/31/43/982723143.db2.gz NKCXEPORHPUWHS-ZMZPIMSZSA-N -1 0 346.358 3.090 20 30 EGEDRM CCCN(Cc1ccc(C#N)cc1)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC001595885786 982909897 /nfs/dbraw/zinc/90/98/97/982909897.db2.gz GKCASDLHDHKTGD-UHFFFAOYSA-N -1 0 339.395 3.254 20 30 EGEDRM C#C[C@H](NC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-])C(C)(C)C ZINC001588372307 983329945 /nfs/dbraw/zinc/32/99/45/983329945.db2.gz HUAQRXFBIGUUGZ-LSDHHAIUSA-N -1 0 330.428 3.186 20 30 EGEDRM C#C[C@H](NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)c1ccc(Cl)cc1F ZINC001588373084 983336652 /nfs/dbraw/zinc/33/66/52/983336652.db2.gz ZREHKPKPEUSMQN-RWSFTLGLSA-N -1 0 337.778 3.161 20 30 EGEDRM C#C[C@@H](NC(=O)Nc1cc(C(=O)[O-])sc1C)c1ccc(F)cc1 ZINC001588373246 983337180 /nfs/dbraw/zinc/33/71/80/983337180.db2.gz BVXGJXMJJOCZEM-GFCCVEGCSA-N -1 0 332.356 3.390 20 30 EGEDRM C#CCC(C)(C)C(=O)NC[C@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC001588384022 983386176 /nfs/dbraw/zinc/38/61/76/983386176.db2.gz SMGGCMALRORMMV-KRWDZBQOSA-N -1 0 337.419 3.249 20 30 EGEDRM C#CC[C@@H](Cc1ccccc1)NC(=O)CCc1ccccc1C(=O)[O-] ZINC001588394686 983403248 /nfs/dbraw/zinc/40/32/48/983403248.db2.gz NIYFKQHDCRQKNJ-SFHVURJKSA-N -1 0 335.403 3.068 20 30 EGEDRM C#CCCOc1ccc(C(=O)N(CC)c2ccccc2C(=O)[O-])cc1 ZINC001588455376 983479490 /nfs/dbraw/zinc/47/94/90/983479490.db2.gz LMFCEISJFAGCKP-UHFFFAOYSA-N -1 0 337.375 3.454 20 30 EGEDRM C#CCCOC(=O)N[C@@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001588456135 983481560 /nfs/dbraw/zinc/48/15/60/983481560.db2.gz ZTMBLTMRRMZBEF-CQSZACIVSA-N -1 0 330.167 3.043 20 30 EGEDRM C#CCN(Cc1ccccc1)c1cc(C(F)(F)F)c(C(=O)[O-])cn1 ZINC001588471436 983506152 /nfs/dbraw/zinc/50/61/52/983506152.db2.gz NWZRXFGOVWPBGU-UHFFFAOYSA-N -1 0 334.297 3.438 20 30 EGEDRM C#CCOc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2Cl)cc1 ZINC001588497426 983538616 /nfs/dbraw/zinc/53/86/16/983538616.db2.gz FSJLAJSLCMNJKR-UHFFFAOYSA-N -1 0 329.739 3.303 20 30 EGEDRM C#CCOc1cc(F)ccc1NCc1cc(C(=O)[O-])c2n1CCCC2 ZINC001588498810 983544282 /nfs/dbraw/zinc/54/42/82/983544282.db2.gz HOUYEGOGESTQIN-UHFFFAOYSA-N -1 0 342.370 3.286 20 30 EGEDRM C#Cc1ccccc1CC(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC001588524290 983574574 /nfs/dbraw/zinc/57/45/74/983574574.db2.gz FATHOIIEIYYKMB-KRWDZBQOSA-N -1 0 341.794 3.196 20 30 EGEDRM C#Cc1ccccc1CC(=O)Nc1c(Cl)ccc(F)c1C(=O)[O-] ZINC001588529025 983579256 /nfs/dbraw/zinc/57/92/56/983579256.db2.gz NMQSXXFNNQQBNS-UHFFFAOYSA-N -1 0 331.730 3.340 20 30 EGEDRM C=C(C)[C@@H](NC(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1)c1ccc(F)c(F)c1 ZINC001588533832 983584265 /nfs/dbraw/zinc/58/42/65/983584265.db2.gz AJZYZDUTNYXITK-TYNCELHUSA-N -1 0 338.354 3.087 20 30 EGEDRM C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC001588534985 983587492 /nfs/dbraw/zinc/58/74/92/983587492.db2.gz DQSSWGACXASIFI-XJKSGUPXSA-N -1 0 346.427 3.152 20 30 EGEDRM C=C(C)[C@H](CC(=O)Oc1ccc(/C=C/C(=O)[O-])cc1OC)OCC ZINC001588535616 983590034 /nfs/dbraw/zinc/59/00/34/983590034.db2.gz PDPFEJKVOOHVJG-HEWZJLJBSA-N -1 0 334.368 3.070 20 30 EGEDRM C=C(C)C[C@H](C)C(=O)O[C@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001588536139 983592601 /nfs/dbraw/zinc/59/26/01/983592601.db2.gz PLZKNDATGVWIRI-QWHCGFSZSA-N -1 0 333.384 3.166 20 30 EGEDRM C=C(C)C[C@H](NC(=O)c1cc2cccc(C)c2nc1Cl)C(=O)[O-] ZINC001588546432 983615624 /nfs/dbraw/zinc/61/56/24/983615624.db2.gz KZNAKYHLUWIMDS-ZDUSSCGKSA-N -1 0 332.787 3.346 20 30 EGEDRM C=C(C)CN(Cc1ccc(CO)o1)[C@H](C(=O)[O-])c1ccccc1C ZINC001588567148 983646420 /nfs/dbraw/zinc/64/64/20/983646420.db2.gz FBRKISPQGUZIJJ-SFHVURJKSA-N -1 0 329.396 3.284 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N[C@H](CCc1ccccc1)C(F)(F)F ZINC001588621786 983720590 /nfs/dbraw/zinc/72/05/90/983720590.db2.gz JWNRXAUJRDZCIF-CYBMUJFWSA-N -1 0 329.318 3.087 20 30 EGEDRM C=C(CNC(=O)Nc1cccc(C(=O)[O-])c1OC)c1ccccc1 ZINC001588637760 983761156 /nfs/dbraw/zinc/76/11/56/983761156.db2.gz VJPXGCSJBXSXKS-UHFFFAOYSA-N -1 0 326.352 3.228 20 30 EGEDRM C=C[C@H](Nc1cccc(-c2cn(Cc3ccccc3)nn2)c1)C(=O)[O-] ZINC001588701862 983916564 /nfs/dbraw/zinc/91/65/64/983916564.db2.gz BNMUETWNAQLDFK-KRWDZBQOSA-N -1 0 334.379 3.045 20 30 EGEDRM C=CC[C@@H](Cc1ccccc1)NC(=O)NCc1cc(C)c(C(=O)[O-])o1 ZINC001588744806 984045872 /nfs/dbraw/zinc/04/58/72/984045872.db2.gz QXBORJFQFWWKGQ-HNNXBMFYSA-N -1 0 342.395 3.273 20 30 EGEDRM C=CC[C@@H](Sc1nnc(-c2ccc(OC(F)F)cc2)o1)C(=O)[O-] ZINC001588759029 984109490 /nfs/dbraw/zinc/10/94/90/984109490.db2.gz NVUNDVURLVCRDG-SNVBAGLBSA-N -1 0 342.323 3.459 20 30 EGEDRM C=CC[C@H](Sc1nnc2cc(C)c3ccc(OC)cc3n21)C(=O)[O-] ZINC001588761819 984114302 /nfs/dbraw/zinc/11/43/02/984114302.db2.gz CDALXFHQUKLQHK-AWEZNQCLSA-N -1 0 343.408 3.321 20 30 EGEDRM C=CCC1(CNC(=O)NCCc2ccc(C(=O)[O-])cc2)CCCC1 ZINC001588767339 984130105 /nfs/dbraw/zinc/13/01/05/984130105.db2.gz WAQAADSDJPNJCD-UHFFFAOYSA-N -1 0 330.428 3.363 20 30 EGEDRM C=CCC[C@H](C(=O)Nc1nnc(CCC(=O)[O-])s1)c1ccccc1 ZINC001588776834 984153675 /nfs/dbraw/zinc/15/36/75/984153675.db2.gz JARMAXDBLXLUJE-ZDUSSCGKSA-N -1 0 345.424 3.244 20 30 EGEDRM C=CCC[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC001588782182 984171146 /nfs/dbraw/zinc/17/11/46/984171146.db2.gz RQSWZQBDWQOSDF-CYBMUJFWSA-N -1 0 343.832 3.158 20 30 EGEDRM C=CCCC[C@@H](C)NC(=O)N1CCC(c2cc(C(=O)[O-])on2)CC1 ZINC001588782610 984173549 /nfs/dbraw/zinc/17/35/49/984173549.db2.gz KOXDPMJBRVJREK-GFCCVEGCSA-N -1 0 335.404 3.007 20 30 EGEDRM C=CCCC[C@@H](NC(=O)C[C@H]1OCc2cc(Cl)ccc21)C(=O)[O-] ZINC001588789015 984195438 /nfs/dbraw/zinc/19/54/38/984195438.db2.gz UXTRJJWFWNAPCN-HUUCEWRRSA-N -1 0 337.803 3.227 20 30 EGEDRM C=CCCC[C@H](NC(=O)C1(c2c(F)cccc2F)CCC1)C(=O)[O-] ZINC001588790554 984207212 /nfs/dbraw/zinc/20/72/12/984207212.db2.gz YQDFQWDXHZPEJZ-AWEZNQCLSA-N -1 0 337.366 3.312 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1cccn1Cc1ccccc1)C(=O)[O-] ZINC001588793160 984216333 /nfs/dbraw/zinc/21/63/33/984216333.db2.gz LTNWIENZUMLDEV-MRXNPFEDSA-N -1 0 326.396 3.076 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1ccc(OC)cc1OC(C)C)C(=O)[O-] ZINC001588793571 984220145 /nfs/dbraw/zinc/22/01/45/984220145.db2.gz STVCIXNTQAKRLC-OAHLLOKOSA-N -1 0 335.400 3.022 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1csc(-c2cccs2)n1)C(=O)[O-] ZINC001588797398 984229419 /nfs/dbraw/zinc/22/94/19/984229419.db2.gz DWZGRZQNGNASRH-SNVBAGLBSA-N -1 0 336.438 3.411 20 30 EGEDRM C=CCCC[C@H](NS(=O)(=O)/C=C/c1ccc(Cl)cc1)C(=O)[O-] ZINC001588797489 984229987 /nfs/dbraw/zinc/22/99/87/984229987.db2.gz GFGHLNCHRCEXPQ-VNDWYCCKSA-N -1 0 343.832 3.040 20 30 EGEDRM C=CCCCNC(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC001588803713 984251901 /nfs/dbraw/zinc/25/19/01/984251901.db2.gz FZYOJYPPSKAQIQ-LSDHHAIUSA-N -1 0 336.819 3.116 20 30 EGEDRM C=CCCO[C@H](C)C(=O)Nc1cc(-c2ccncc2)sc1C(=O)[O-] ZINC001588808952 984264153 /nfs/dbraw/zinc/26/41/53/984264153.db2.gz RFRFMAAAPVMJQG-LLVKDONJSA-N -1 0 346.408 3.428 20 30 EGEDRM C=CCCO[C@H](C)C(=O)Nc1nc(C2CCCC2)c(C(=O)[O-])s1 ZINC001588809065 984265300 /nfs/dbraw/zinc/26/53/00/984265300.db2.gz XXYPCWIXDVPKHI-SNVBAGLBSA-N -1 0 338.429 3.419 20 30 EGEDRM C=CCCSCCNC(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC001588814779 984272858 /nfs/dbraw/zinc/27/28/58/984272858.db2.gz QQXGXEMNMGMZSE-UHFFFAOYSA-N -1 0 330.356 3.094 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)/C=C\c1nccs1 ZINC001588882464 984463088 /nfs/dbraw/zinc/46/30/88/984463088.db2.gz UTVRAIGOPNGMKR-WAYWQWQTSA-N -1 0 345.376 3.197 20 30 EGEDRM C=CCn1cc2ccc(NC(=O)Cc3ccccc3C(=O)[O-])cc2n1 ZINC001588909456 984543971 /nfs/dbraw/zinc/54/39/71/984543971.db2.gz VHGNGCQATNRCQM-UHFFFAOYSA-N -1 0 335.363 3.102 20 30 EGEDRM C=C[C@@H]1OCC[C@H]1C(=O)O[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC001588916629 984562327 /nfs/dbraw/zinc/56/23/27/984562327.db2.gz WBZOVMSROJZUBI-AGIUHOORSA-N -1 0 345.178 3.253 20 30 EGEDRM CC#CCCCC(=O)N(CC(=O)[O-])Cc1ccc(C(F)(F)F)cc1 ZINC001588924741 984583272 /nfs/dbraw/zinc/58/32/72/984583272.db2.gz DADGNFLUELBGOK-UHFFFAOYSA-N -1 0 341.329 3.312 20 30 EGEDRM C[C@@H](C#N)CN(Cc1coc(-c2ccc(C(=O)[O-])cc2)n1)C1CC1 ZINC001589330755 986178067 /nfs/dbraw/zinc/17/80/67/986178067.db2.gz PIQXWYCQJDLZJF-LBPRGKRZSA-N -1 0 325.368 3.164 20 30 EGEDRM C[C@H](C#N)Oc1ccc(CN=Nc2cccc(F)c2C(=O)[O-])cc1 ZINC001589331306 986184144 /nfs/dbraw/zinc/18/41/44/986184144.db2.gz AKRFUSIYSZPLJG-LLVKDONJSA-N -1 0 327.315 3.261 20 30 EGEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc(C(=O)[O-])ccn1 ZINC001589331497 986186572 /nfs/dbraw/zinc/18/65/72/986186572.db2.gz GJTIPLMINNOQAM-NSHDSACASA-N -1 0 341.392 3.284 20 30 EGEDRM C[C@H](C(=O)[O-])c1ccc(NC(=O)C2(c3cccc(C#N)c3)CC2)cc1 ZINC001589501956 987102695 /nfs/dbraw/zinc/10/26/95/987102695.db2.gz BRBWXTKFUZABON-ZDUSSCGKSA-N -1 0 334.375 3.417 20 30 EGEDRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N(C)Cc2ccc(C#N)cc2)cc1 ZINC001589503163 987106447 /nfs/dbraw/zinc/10/64/47/987106447.db2.gz ALHWHBGPZMRUGE-CYBMUJFWSA-N -1 0 337.379 3.410 20 30 EGEDRM CC[C@H](C#N)C(=O)N(Cc1ccoc1C(=O)[O-])[C@H](C)c1ccccn1 ZINC001594722404 987212440 /nfs/dbraw/zinc/21/24/40/987212440.db2.gz OUDCMWIUZWCIOP-CHWSQXEVSA-N -1 0 341.367 3.012 20 30 EGEDRM C[C@@H](C(=O)OCc1cccc(C(=O)[O-])c1C#N)c1ccc(F)c(F)c1 ZINC001589548345 987275670 /nfs/dbraw/zinc/27/56/70/987275670.db2.gz ZWWVUFKMATXPKD-SNVBAGLBSA-N -1 0 345.301 3.382 20 30 EGEDRM CC(C)(C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1)c1ccc(C#N)cc1 ZINC001589563132 987323756 /nfs/dbraw/zinc/32/37/56/987323756.db2.gz YSDSGBJHJLXFTD-MRXNPFEDSA-N -1 0 342.439 3.185 20 30 EGEDRM CC(C)(C(=O)[O-])N(Cc1ccccc1)C(=O)c1ccc(F)c(C#N)c1 ZINC001589616567 987481623 /nfs/dbraw/zinc/48/16/23/987481623.db2.gz ICNFNZNPYHWAJO-UHFFFAOYSA-N -1 0 340.354 3.203 20 30 EGEDRM CCc1ccc([C@H](C#N)NC(=O)CCc2ccccc2C(=O)[O-])cc1 ZINC001597508129 988083791 /nfs/dbraw/zinc/08/37/91/988083791.db2.gz CFQVCNLOVJGNON-SFHVURJKSA-N -1 0 336.391 3.261 20 30 EGEDRM CCc1sc(C(=O)[O-])cc1-c1ccc(F)c(C[C@@H](C#N)CO)c1 ZINC001597820949 989463132 /nfs/dbraw/zinc/46/31/32/989463132.db2.gz UIMADGNYVCSLGN-JTQLQIEISA-N -1 0 333.384 3.489 20 30 EGEDRM CN(C(=O)Nc1cccc(SCCC(=O)[O-])c1)[C@H]1CCC[C@@H]1C#N ZINC001598061694 990334653 /nfs/dbraw/zinc/33/46/53/990334653.db2.gz MLYRAFYGMFRUNM-DOMZBBRYSA-N -1 0 347.440 3.409 20 30 EGEDRM CN(C(=O)c1cc(C#N)ccc1Cl)[C@@H](C(=O)[O-])c1ccccc1 ZINC001598073463 990377293 /nfs/dbraw/zinc/37/72/93/990377293.db2.gz ODBXKYKZZSBTBN-OAHLLOKOSA-N -1 0 328.755 3.110 20 30 EGEDRM CC(C)[C@H](C(=O)N1CCC(C#N)(C(=O)[O-])CC1)c1cccc(Cl)c1 ZINC001590952480 991013776 /nfs/dbraw/zinc/01/37/76/991013776.db2.gz GPOWTIPHEUBAJR-HNNXBMFYSA-N -1 0 348.830 3.297 20 30 EGEDRM CN1C(=O)CCc2cc(/C=C\C(=O)c3ccc(C(=O)[O-])cc3)ccc21 ZINC001598551635 993010018 /nfs/dbraw/zinc/01/00/18/993010018.db2.gz HONPPMINSSJTGW-KMKOMSMNSA-N -1 0 335.359 3.190 20 30 EGEDRM COc1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)c(C(=O)[O-])c1 ZINC001599593437 993717595 /nfs/dbraw/zinc/71/75/95/993717595.db2.gz SQAZVYUITAQCPI-LSDHHAIUSA-N -1 0 336.347 3.007 20 30 EGEDRM C[C@@H](OC(=O)c1ccc(C2(C#N)CC2)cc1)c1cc(C(=O)[O-])co1 ZINC001593578930 995691277 /nfs/dbraw/zinc/69/12/77/995691277.db2.gz OFDYZXCJJPBNNE-LLVKDONJSA-N -1 0 325.320 3.451 20 30 EGEDRM C[C@@H](SCC(=O)Nc1sc2c(c1C#N)CCCCC2)C(=O)[O-] ZINC001593656720 996027643 /nfs/dbraw/zinc/02/76/43/996027643.db2.gz OCUCMBZGOZERJQ-SECBINFHSA-N -1 0 338.454 3.033 20 30 EGEDRM C[C@@H](Sc1ccccc1C(=O)N1CCC[C@@](C)(C#N)C1)C(=O)[O-] ZINC001593668333 996062811 /nfs/dbraw/zinc/06/28/11/996062811.db2.gz QNMOUJWVSPHAFP-PXAZEXFGSA-N -1 0 332.425 3.018 20 30 EGEDRM C[C@@]1(C#N)CCCN(C(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)C1 ZINC001593740606 996357465 /nfs/dbraw/zinc/35/74/65/996357465.db2.gz SNJMULRLWUHFBJ-HNNXBMFYSA-N -1 0 339.754 3.335 20 30 EGEDRM CC1(C)Cc2nc(CN(CC#N)CCC(=O)[O-])sc2C(C)(C)C1 ZINC001593968666 997122296 /nfs/dbraw/zinc/12/22/96/997122296.db2.gz HTPGNHCFJUWOPU-UHFFFAOYSA-N -1 0 335.473 3.193 20 30 EGEDRM COc1cc(C=NNc2cccc(C(=O)[O-])c2C)cc(OC)c1OC ZINC001599400528 997206675 /nfs/dbraw/zinc/20/66/75/997206675.db2.gz NZHIGYSFTMREOF-UHFFFAOYSA-N -1 0 344.367 3.165 20 30 EGEDRM COc1cc(C#N)cc(Cl)c1OC(=O)c1cccc(CC(=O)[O-])c1 ZINC001599349059 998062193 /nfs/dbraw/zinc/06/21/93/998062193.db2.gz HPJLDVYBSHRALY-UHFFFAOYSA-N -1 0 345.738 3.067 20 30 EGEDRM COc1cc(C(=O)Nc2sc(C)c(C)c2C(=O)[O-])ccc1C#N ZINC001599356733 998191440 /nfs/dbraw/zinc/19/14/40/998191440.db2.gz SZHQLGBNZZMXSP-UHFFFAOYSA-N -1 0 330.365 3.196 20 30 EGEDRM COc1cc(Oc2ncc(C(=O)[O-])cc2C(F)(F)F)ccc1C#N ZINC001599457415 998210662 /nfs/dbraw/zinc/21/06/62/998210662.db2.gz GWXFQHNBMAYJJV-UHFFFAOYSA-N -1 0 338.241 3.471 20 30 EGEDRM COC(=O)c1ccc(/C=C\C(=O)c2ccc(Cl)cc2C(=O)[O-])[nH]1 ZINC001598973477 998561139 /nfs/dbraw/zinc/56/11/39/998561139.db2.gz JRFQQDCOPZVMLI-DAXSKMNVSA-N -1 0 333.727 3.049 20 30 EGEDRM C[C@@H]1C[C@@H](n2nc(C(=O)[O-])cc2-c2ccc(C#N)cc2)C[C@H](C)O1 ZINC001594271892 999052128 /nfs/dbraw/zinc/05/21/28/999052128.db2.gz MCSIXZQKFKBKPL-JJLQDPRZSA-N -1 0 325.368 3.248 20 30 EGEDRM C[C@H]1CC[C@@](NC(=O)c2sccc2C#N)(C(=O)[O-])c2ccccc21 ZINC001594324301 999250778 /nfs/dbraw/zinc/25/07/78/999250778.db2.gz ZGILVNXURABCGF-VOJFVSQTSA-N -1 0 340.404 3.227 20 30 EGEDRM CC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000058367923 214563436 /nfs/dbraw/zinc/56/34/36/214563436.db2.gz YWBWSTPBJHBLJO-UHFFFAOYSA-N -1 0 334.319 3.268 20 30 EGEDRM C[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000071883897 215920654 /nfs/dbraw/zinc/92/06/54/215920654.db2.gz OVKUIJLNPORBGS-SVRRBLITSA-N -1 0 325.283 3.146 20 30 EGEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)c(F)c2)c1 ZINC000160756964 140964121 /nfs/dbraw/zinc/96/41/21/140964121.db2.gz BRQUDKGZBTUUQE-UHFFFAOYSA-N -1 0 328.727 3.291 20 30 EGEDRM Cn1cc(-c2ccc(/C=C/c3nc(C(=O)[O-])ccc3C#N)s2)cn1 ZINC000337848233 141066210 /nfs/dbraw/zinc/06/62/10/141066210.db2.gz ICSYGPJFXAXMBC-ZZXKWVIFSA-N -1 0 336.376 3.284 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2nc(CC(F)(F)F)cs2)cc1[O-] ZINC000341262590 141146294 /nfs/dbraw/zinc/14/62/94/141146294.db2.gz FLMDHHADQYBUDR-UHFFFAOYSA-N -1 0 327.287 3.077 20 30 EGEDRM CCc1ncc(S(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2)s1 ZINC000359647510 141398026 /nfs/dbraw/zinc/39/80/26/141398026.db2.gz BWWJTKKMGPOFMQ-UHFFFAOYSA-N -1 0 327.818 3.031 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccsc2)cc1Br ZINC000351229803 144260677 /nfs/dbraw/zinc/26/06/77/144260677.db2.gz XUKOFHKIYODUMX-UHFFFAOYSA-N -1 0 343.227 3.183 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2OCC2CC2)cc1 ZINC000189476258 153072540 /nfs/dbraw/zinc/07/25/40/153072540.db2.gz WHWCRNOBEYTKHM-UHFFFAOYSA-N -1 0 346.383 3.287 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3c4c(cccc42)CC3)cn1 ZINC000195440499 153406417 /nfs/dbraw/zinc/40/64/17/153406417.db2.gz XAMSLAXIBMUMEB-UHFFFAOYSA-N -1 0 335.388 3.006 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2nc3ccccc3s2)ccc1C#N ZINC000319926846 154163167 /nfs/dbraw/zinc/16/31/67/154163167.db2.gz HIKDNUICZGKVTE-UHFFFAOYSA-N -1 0 329.406 3.277 20 30 EGEDRM C[C@](CC(=O)Nc1ccc(F)c(C#N)c1)(C(=O)[O-])c1ccccc1 ZINC000324484666 154174184 /nfs/dbraw/zinc/17/41/84/154174184.db2.gz JXEKLFRWQYRZGA-GOSISDBHSA-N -1 0 326.327 3.068 20 30 EGEDRM CCN(C(=O)c1cc(F)cc2n[nH]nc21)[C@H](C)c1ccc(C#N)cc1 ZINC000337436150 154351663 /nfs/dbraw/zinc/35/16/63/154351663.db2.gz HRHPMTVQTKFDQM-LLVKDONJSA-N -1 0 337.358 3.192 20 30 EGEDRM CN(C)Cc1cc(NC(=O)c2ccc(C#N)c([O-])c2)ccc1Cl ZINC000337262849 163185595 /nfs/dbraw/zinc/18/55/95/163185595.db2.gz YNQPKKFLEJNSDZ-UHFFFAOYSA-N -1 0 329.787 3.231 20 30 EGEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]c2cccc3cccnc32)c(F)c1 ZINC000177340632 269952903 /nfs/dbraw/zinc/95/29/03/269952903.db2.gz WJBOZKIYQTURLI-UHFFFAOYSA-N -1 0 345.330 3.185 20 30 EGEDRM CCc1cccc([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)c1CC ZINC000427351199 270049930 /nfs/dbraw/zinc/04/99/30/270049930.db2.gz CJZUKFCUNBFTLV-UHFFFAOYSA-N -1 0 329.425 3.187 20 30 EGEDRM CC(=Cc1ccc(OCC(F)(F)F)cc1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000435340305 270051109 /nfs/dbraw/zinc/05/11/09/270051109.db2.gz GHMIUVBLGNMWST-JXMROGBWSA-N -1 0 349.312 3.452 20 30 EGEDRM CCCn1ccc2cc([N-]S(=O)(=O)c3ccc(C#N)nc3)ccc21 ZINC000195446391 266182768 /nfs/dbraw/zinc/18/27/68/266182768.db2.gz KTXATZBFYPHRKN-UHFFFAOYSA-N -1 0 340.408 3.119 20 30 EGEDRM CCC(CC)(CNC(=O)Nc1cc(C#N)ccc1OC(C)C)C(=O)[O-] ZINC000424481341 266995878 /nfs/dbraw/zinc/99/58/78/266995878.db2.gz ZQWTVBJWKNIWJW-UHFFFAOYSA-N -1 0 347.415 3.358 20 30 EGEDRM CCC[C@@H](C(=O)Nc1nc(C#N)c(C#N)[n-]1)c1cccc(Cl)c1 ZINC000530262383 267030996 /nfs/dbraw/zinc/03/09/96/267030996.db2.gz PIJGOEMGVFQXJV-GFCCVEGCSA-N -1 0 327.775 3.329 20 30 EGEDRM CCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)s2)cc1Cl ZINC000435493953 267172611 /nfs/dbraw/zinc/17/26/11/267172611.db2.gz LDALZABKQMCKAV-UHFFFAOYSA-N -1 0 342.829 3.473 20 30 EGEDRM CCc1cc(C#N)c([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)s1 ZINC000521378563 267245155 /nfs/dbraw/zinc/24/51/55/267245155.db2.gz JILNMUFRKSJJRR-UHFFFAOYSA-N -1 0 348.449 3.308 20 30 EGEDRM Cc1cccc2sc([N-]S(=O)(=O)c3ccc(C#N)c(F)c3)nc21 ZINC000427771748 268061908 /nfs/dbraw/zinc/06/19/08/268061908.db2.gz AQSQQLSUXBWDOB-UHFFFAOYSA-N -1 0 347.396 3.416 20 30 EGEDRM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)nc2)c1 ZINC000171013232 307939792 /nfs/dbraw/zinc/93/97/92/307939792.db2.gz ZNBLWJYYNDJOAU-UHFFFAOYSA-N -1 0 343.408 3.075 20 30 EGEDRM CCc1cc(C#N)c([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)s1 ZINC000572178178 317302092 /nfs/dbraw/zinc/30/20/92/317302092.db2.gz OCMRZTDHARXBJR-SNVBAGLBSA-N -1 0 348.449 3.306 20 30 EGEDRM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2C#N)cc1C ZINC000180735998 455236206 /nfs/dbraw/zinc/23/62/06/455236206.db2.gz HQRGWATVOWVQHG-UHFFFAOYSA-N -1 0 334.372 3.124 20 30 EGEDRM Cc1cc(N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)n2c3ccccc3nc2c1C#N ZINC000600803493 460609701 /nfs/dbraw/zinc/60/97/01/460609701.db2.gz WDCFBQFVRLFBQF-UONOGXRCSA-N -1 0 348.406 3.215 20 30 EGEDRM Cc1cc(F)cc2c1ncc(C#N)c2N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000600802174 460609836 /nfs/dbraw/zinc/60/98/36/460609836.db2.gz STDJGBUDPNOZAQ-BXUZGUMPSA-N -1 0 327.359 3.101 20 30 EGEDRM Cc1ccc(-c2n[nH]c(/N=C(\[O-])Cc3cn4ccsc4n3)n2)cc1 ZINC000028855170 453825124 /nfs/dbraw/zinc/82/51/24/453825124.db2.gz UGHSIFUEAUCAHG-UHFFFAOYSA-N -1 0 338.396 3.320 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2sc(-c3ncccn3)nc2C)n1 ZINC000054428433 453930429 /nfs/dbraw/zinc/93/04/29/453930429.db2.gz XDZBWFZXVWGOOD-SNVBAGLBSA-N -1 0 341.421 3.164 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2ccn(-c3ccc(F)cc3)n2)n1 ZINC000041515185 453970079 /nfs/dbraw/zinc/97/00/79/453970079.db2.gz HSYVPTJAXBTLMW-CYBMUJFWSA-N -1 0 326.356 3.266 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cccc(Cl)c2)n1 ZINC000067895655 453978032 /nfs/dbraw/zinc/97/80/32/453978032.db2.gz RGIWICHELZTXND-NSHDSACASA-N -1 0 334.784 3.463 20 30 EGEDRM CC(C)COc1ccccc1[N-]S(=O)(=O)c1ccccc1C#N ZINC000055652028 454002728 /nfs/dbraw/zinc/00/27/28/454002728.db2.gz LDJUUUIXZLBRDE-UHFFFAOYSA-N -1 0 330.409 3.394 20 30 EGEDRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)[C@@H]1CCCc2ccccc21 ZINC000042292455 454003900 /nfs/dbraw/zinc/00/39/00/454003900.db2.gz BEFQUJQJPIXIKZ-CQSZACIVSA-N -1 0 334.397 3.057 20 30 EGEDRM COc1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)cc1[N+](=O)[O-] ZINC000190926803 455407607 /nfs/dbraw/zinc/40/76/07/455407607.db2.gz OPPJBEBYRLEFAX-LBPRGKRZSA-N -1 0 348.318 3.037 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1C(F)(F)F ZINC000088191942 454090512 /nfs/dbraw/zinc/09/05/12/454090512.db2.gz WJIKYRDCESBBEY-UHFFFAOYSA-N -1 0 332.328 3.439 20 30 EGEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000057125786 454104345 /nfs/dbraw/zinc/10/43/45/454104345.db2.gz ZHDXXHCBVPOWGN-UHFFFAOYSA-N -1 0 338.335 3.036 20 30 EGEDRM Cc1cc(C)c(C)c(S(=O)(=O)[N-]C(=O)C[C@@H]2CCCO2)c1C ZINC000069604241 454123142 /nfs/dbraw/zinc/12/31/42/454123142.db2.gz OHKWBDLKQFDQAP-AWEZNQCLSA-N -1 0 325.430 3.135 20 30 EGEDRM CC(C)c1cnc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)s1 ZINC000096004206 454260469 /nfs/dbraw/zinc/26/04/69/454260469.db2.gz JKKDUPUPKVGLFY-UHFFFAOYSA-N -1 0 341.845 3.014 20 30 EGEDRM N#CCCCOc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])c1 ZINC000121122440 454393591 /nfs/dbraw/zinc/39/35/91/454393591.db2.gz HVCJQGYEPNMATB-UHFFFAOYSA-N -1 0 341.323 3.235 20 30 EGEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N/[C@H]2CCN(c3ccccn3)C2)c1[O-] ZINC000133116323 454394504 /nfs/dbraw/zinc/39/45/04/454394504.db2.gz WHNMWJPPLBUFPV-PFHXIJNMSA-N -1 0 346.774 3.047 20 30 EGEDRM CCN(CCC#N)C(=O)c1cc(Br)cc(Cl)c1[O-] ZINC000133477414 454430106 /nfs/dbraw/zinc/43/01/06/454430106.db2.gz DCQNKVZAABFBJS-UHFFFAOYSA-N -1 0 331.597 3.184 20 30 EGEDRM N#CC(=C([O-])c1cn(-c2ccccc2)nn1)c1ccc2ccccc2n1 ZINC000048858542 454520098 /nfs/dbraw/zinc/52/00/98/454520098.db2.gz UICJKRFVELPAIK-INIZCTEOSA-N -1 0 339.358 3.306 20 30 EGEDRM CC(C)c1csc(C(C#N)=C([O-])c2cn(-c3ccccc3)nn2)n1 ZINC000080451583 454583436 /nfs/dbraw/zinc/58/34/36/454583436.db2.gz GMKDATGUCZMPAF-CYBMUJFWSA-N -1 0 337.408 3.337 20 30 EGEDRM O=C(C=Cc1cscn1)[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000051901421 454641060 /nfs/dbraw/zinc/64/10/60/454641060.db2.gz ZKVMRXIIOWHLNQ-SOFGYWHQSA-N -1 0 346.433 3.430 20 30 EGEDRM Cc1ccc(-c2ccc(C(=O)N3CCC[C@@H]3C(=O)[O-])cc2)cc1C#N ZINC000600965565 460659710 /nfs/dbraw/zinc/65/97/10/460659710.db2.gz SAGLHOQJJMMEDH-GOSISDBHSA-N -1 0 334.375 3.223 20 30 EGEDRM C=CCCCCCN(C)C(=O)c1cc(F)ccc1[N-]S(C)(=O)=O ZINC000128723767 455079775 /nfs/dbraw/zinc/07/97/75/455079775.db2.gz LFOVDFDOCCUBEE-UHFFFAOYSA-N -1 0 342.436 3.016 20 30 EGEDRM C=CCOc1ccc(C(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1 ZINC000237528610 455191941 /nfs/dbraw/zinc/19/19/41/455191941.db2.gz KWCSEEIFMVLBMD-KBXCAEBGSA-N -1 0 339.391 3.443 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)c2cnc3ccccc3n2)ccc1[N+](=O)[O-] ZINC000190895670 455399743 /nfs/dbraw/zinc/39/97/43/455399743.db2.gz DDXMGSIJLDTVFQ-ZDUSSCGKSA-N -1 0 332.319 3.337 20 30 EGEDRM CC(C)CCc1ccc(S(=O)(=O)[N-]c2ncccc2C#N)cc1 ZINC000191103145 455443784 /nfs/dbraw/zinc/44/37/84/455443784.db2.gz RNEOTTURSRKSNR-UHFFFAOYSA-N -1 0 329.425 3.343 20 30 EGEDRM CCOc1ccc(C#N)cc1NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000185436619 455558167 /nfs/dbraw/zinc/55/81/67/455558167.db2.gz XBUXRLAMJOGISB-UHFFFAOYSA-N -1 0 336.269 3.332 20 30 EGEDRM N#Cc1ccc(CSc2nc(=O)cc([O-])n2C2CCCC2)c(F)c1 ZINC000192482957 455628410 /nfs/dbraw/zinc/62/84/10/455628410.db2.gz GOKOEVRBYFCKMZ-UHFFFAOYSA-N -1 0 345.399 3.367 20 30 EGEDRM COc1cc(SC)ccc1[N-]S(=O)(=O)c1ccccc1C#N ZINC000193272364 455750116 /nfs/dbraw/zinc/75/01/16/455750116.db2.gz ITMJNJFGNACSQH-UHFFFAOYSA-N -1 0 334.422 3.090 20 30 EGEDRM COc1cc(C=NN=c2[nH]c3ccccc3s2)cc([N+](=O)[O-])c1[O-] ZINC000252617448 455823721 /nfs/dbraw/zinc/82/37/21/455823721.db2.gz KSZAFFRWOCWNFB-UHFFFAOYSA-N -1 0 344.352 3.365 20 30 EGEDRM C=CCC(CC=C)C(=O)N[C@H](CC(=O)[O-])c1ccc(OC)c(OC)c1 ZINC000272055430 455833994 /nfs/dbraw/zinc/83/39/94/455833994.db2.gz VKDYEUHLHWLSPD-OAHLLOKOSA-N -1 0 347.411 3.104 20 30 EGEDRM N#CCCCCS(=O)(=O)[N-][C@H](CCc1ccccc1)C(F)(F)F ZINC000272187982 455871319 /nfs/dbraw/zinc/87/13/19/455871319.db2.gz UVGRCHYUDKVZPB-CQSZACIVSA-N -1 0 348.390 3.163 20 30 EGEDRM CC(C)c1csc(C(C#N)=C([O-])c2cc(=O)[nH]c(C3CC3)c2)n1 ZINC000187522449 455920041 /nfs/dbraw/zinc/92/00/41/455920041.db2.gz KASZHTVTAQZTIY-LBPRGKRZSA-N -1 0 327.409 3.322 20 30 EGEDRM COc1ccc(C(=O)/C=C/c2cnn(CC(C)C)c2)cc1CC(=O)[O-] ZINC000272743388 456058800 /nfs/dbraw/zinc/05/88/00/456058800.db2.gz IJXKEAPGWRGZBN-GQCTYLIASA-N -1 0 342.395 3.071 20 30 EGEDRM C=CCC[C@H](NC(=O)[C@@H](C)c1ccc(Br)cc1)C(=O)[O-] ZINC000262799627 456059066 /nfs/dbraw/zinc/05/90/66/456059066.db2.gz COGPLOVMDSDBEV-GWCFXTLKSA-N -1 0 340.217 3.088 20 30 EGEDRM C=CCC[C@H](NC(=O)C1(c2ccc(F)cc2F)CCCC1)C(=O)[O-] ZINC000262842537 456061736 /nfs/dbraw/zinc/06/17/36/456061736.db2.gz GZLBFZHPBYUHJO-HNNXBMFYSA-N -1 0 337.366 3.312 20 30 EGEDRM C=CCC[C@@H](NC(=O)c1sc2ccc(OC)cc2c1C)C(=O)[O-] ZINC000262870757 456064419 /nfs/dbraw/zinc/06/44/19/456064419.db2.gz JPZFMUUZEYSRDI-CYBMUJFWSA-N -1 0 333.409 3.368 20 30 EGEDRM C=CCC[C@@H](NC(=O)[C@H](C)Cc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000262905586 456068007 /nfs/dbraw/zinc/06/80/07/456068007.db2.gz MSFQQAAFNVIHOR-BXUZGUMPSA-N -1 0 343.345 3.420 20 30 EGEDRM C=C(C)[C@@H](NC(=O)N1CC[C@@](C)(C(=O)[O-])C1)c1ccc(F)c(F)c1 ZINC000263401129 456142505 /nfs/dbraw/zinc/14/25/05/456142505.db2.gz SCACPLJUZTXLIZ-RHSMWYFYSA-N -1 0 338.354 3.088 20 30 EGEDRM Cc1cnn(-c2ccc(C)cc2NC(=O)c2ccc(C#N)c([O-])c2)c1 ZINC000188953410 456179846 /nfs/dbraw/zinc/17/98/46/456179846.db2.gz KSENDUIZBNSSBT-UHFFFAOYSA-N -1 0 332.363 3.319 20 30 EGEDRM N#C[C@H]1CCC[C@H]1NC(=O)c1cc(Br)cc(Cl)c1[O-] ZINC000334086436 456298886 /nfs/dbraw/zinc/29/88/86/456298886.db2.gz DXKORQPZYYSZRJ-RDDDGLTNSA-N -1 0 343.608 3.230 20 30 EGEDRM Cc1cc(Br)ccc1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000340806403 456695883 /nfs/dbraw/zinc/69/58/83/456695883.db2.gz XCXWBOIOXIFFHZ-UHFFFAOYSA-N -1 0 341.186 3.023 20 30 EGEDRM C=CCCCS(=O)(=O)[N-]c1nc(CN2CCC(C)CC2)cs1 ZINC000291881373 456786278 /nfs/dbraw/zinc/78/62/78/456786278.db2.gz MZZIQNKVMXXGSF-UHFFFAOYSA-N -1 0 343.518 3.083 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2ccccc2Oc2cnn(C)c2)n1 ZINC000338628509 456847142 /nfs/dbraw/zinc/84/71/42/456847142.db2.gz WAJWXHNBPYSKOI-CQSZACIVSA-N -1 0 338.392 3.467 20 30 EGEDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc(F)cc2C#N)c1 ZINC000353778091 456902034 /nfs/dbraw/zinc/90/20/34/456902034.db2.gz MEDBTJSSPHWADL-UHFFFAOYSA-N -1 0 349.343 3.023 20 30 EGEDRM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3cc(Cl)ccc3C#N)ccc2O1 ZINC000353797498 456910627 /nfs/dbraw/zinc/91/06/27/456910627.db2.gz XYFGFKRWJUFUOW-JTQLQIEISA-N -1 0 348.811 3.336 20 30 EGEDRM Cc1c2cc(F)ccc2oc1C(=O)N=c1[n-]n(C(C)C)cc1C#N ZINC000345160593 456948774 /nfs/dbraw/zinc/94/87/74/456948774.db2.gz IDRNRECRJKHBHZ-UHFFFAOYSA-N -1 0 326.331 3.204 20 30 EGEDRM COc1ccc(O)c(C(=O)N[C@H]2CCCN(C3CCCCC3)C2=O)c1 ZINC000329837142 456948877 /nfs/dbraw/zinc/94/88/77/456948877.db2.gz MTBIMQSZXAKDTR-INIZCTEOSA-N -1 0 346.427 3.029 20 30 EGEDRM N#CCc1cccc(C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)c1 ZINC000345886653 457004311 /nfs/dbraw/zinc/00/43/11/457004311.db2.gz OAYWTSARFSYNJP-UHFFFAOYSA-N -1 0 344.754 3.122 20 30 EGEDRM CSCCC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000345905786 457005610 /nfs/dbraw/zinc/00/56/10/457005610.db2.gz OGKWUDJIWPXJGF-UHFFFAOYSA-N -1 0 339.416 3.476 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)nn1C(F)F ZINC000342018211 457062582 /nfs/dbraw/zinc/06/25/82/457062582.db2.gz MVCQMFRWIRPJOU-VIFPVBQESA-N -1 0 344.243 3.491 20 30 EGEDRM CC[C@H](NC(=O)N=c1nc(C(C)(C)C)[n-]s1)c1nc(C)cs1 ZINC000330841967 457093061 /nfs/dbraw/zinc/09/30/61/457093061.db2.gz YCCIKOFITYVONC-VIFPVBQESA-N -1 0 339.490 3.500 20 30 EGEDRM Cc1cn(-c2ccccc2Cl)nc1C([O-])=C(C#N)c1ccncn1 ZINC000354466075 457240284 /nfs/dbraw/zinc/24/02/84/457240284.db2.gz MEOVCVMCABZUMD-LBPRGKRZSA-N -1 0 337.770 3.114 20 30 EGEDRM CC(C)n1ncc2c1nc(C1CC1)cc2C([O-])=C(C#N)c1ccncn1 ZINC000354475756 457247439 /nfs/dbraw/zinc/24/74/39/457247439.db2.gz RPSQTCGLVGJVEH-CQSZACIVSA-N -1 0 346.394 3.170 20 30 EGEDRM CC(=O)Nc1ccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)nc1 ZINC000360337243 457303164 /nfs/dbraw/zinc/30/31/64/457303164.db2.gz RIYBFONBBRZXEM-LBPRGKRZSA-N -1 0 328.397 3.110 20 30 EGEDRM C=CCCc1ccccc1NS(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000357070373 457306749 /nfs/dbraw/zinc/30/67/49/457306749.db2.gz BAANDJIQUJUSQF-UHFFFAOYSA-N -1 0 345.420 3.233 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc3c(s2)CCC3)n1 ZINC000354692317 457311339 /nfs/dbraw/zinc/31/13/39/457311339.db2.gz ZVGXOWZHIBAVCJ-JTQLQIEISA-N -1 0 346.433 3.360 20 30 EGEDRM C=CC[C@H](C)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000360474294 457312790 /nfs/dbraw/zinc/31/27/90/457312790.db2.gz ODQKGWVBWYQLLF-ZETCQYMHSA-N -1 0 339.200 3.145 20 30 EGEDRM C=CCOc1cccc(NC(=O)c2[n-]cnc2C(=O)c2ccccc2)c1 ZINC000352155749 457341845 /nfs/dbraw/zinc/34/18/45/457341845.db2.gz FVVCQIGZBJQTBO-UHFFFAOYSA-N -1 0 347.374 3.458 20 30 EGEDRM CC(C)Sc1ccccc1[N-]S(=O)(=O)c1cncc(C#N)c1 ZINC000357147699 457346929 /nfs/dbraw/zinc/34/69/29/457346929.db2.gz KABZWEGUZQTBPU-UHFFFAOYSA-N -1 0 333.438 3.255 20 30 EGEDRM CC(C)=CCSc1ccccc1C(=O)N=c1[nH][n-]c(C)c1C#N ZINC000357225026 457384050 /nfs/dbraw/zinc/38/40/50/457384050.db2.gz CLZARCKQIVPHOD-UHFFFAOYSA-N -1 0 326.425 3.322 20 30 EGEDRM Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1ccc(C#N)c(F)c1 ZINC000357467228 457547708 /nfs/dbraw/zinc/54/77/08/457547708.db2.gz KMEHRUQAMUSYAQ-UHFFFAOYSA-N -1 0 341.367 3.355 20 30 EGEDRM CCCN(Cc1ccc(C#N)cc1)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356362861 457586318 /nfs/dbraw/zinc/58/63/18/457586318.db2.gz OCMFIQKONMJXII-UHFFFAOYSA-N -1 0 339.351 3.224 20 30 EGEDRM Cn1cc(/C=C\c2nc(-c3ccccc3)ncc2C(=O)[O-])cc1C#N ZINC000443444914 457766575 /nfs/dbraw/zinc/76/65/75/457766575.db2.gz PUBWGEPUCQMWKT-FPLPWBNLSA-N -1 0 330.347 3.222 20 30 EGEDRM N#Cc1cccnc1[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000361854891 457909769 /nfs/dbraw/zinc/90/97/69/457909769.db2.gz WZNDKNSISXAXEV-UHFFFAOYSA-N -1 0 334.209 3.122 20 30 EGEDRM Cc1nc(C)c(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)nc1C ZINC000362129042 458033169 /nfs/dbraw/zinc/03/31/69/458033169.db2.gz JJCVQXQKZOPNIR-LBPRGKRZSA-N -1 0 334.301 3.306 20 30 EGEDRM COc1ccc(CCc2n[n-]c(=NCc3ccc(C#N)c(C)c3)o2)cc1 ZINC000446963684 458249889 /nfs/dbraw/zinc/24/98/89/458249889.db2.gz BHVPXKXHRXMLNW-UHFFFAOYSA-N -1 0 348.406 3.078 20 30 EGEDRM CCOc1ccc(C#N)cc1NC(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000362535940 458252802 /nfs/dbraw/zinc/25/28/02/458252802.db2.gz VMKMIKKMCBGAEP-UHFFFAOYSA-N -1 0 348.362 3.101 20 30 EGEDRM C=CCn1c([C@H]2CCCO2)n[n-]c1=Nc1ccc(OC)c(SC)c1 ZINC000414512831 458321243 /nfs/dbraw/zinc/32/12/43/458321243.db2.gz DOJVZEIGGJXDNJ-CQSZACIVSA-N -1 0 346.456 3.212 20 30 EGEDRM C=C[C@@H]1CCCCN1C(=O)c1cc(F)cc(Br)c1[O-] ZINC000416217973 458341581 /nfs/dbraw/zinc/34/15/81/458341581.db2.gz DPWUDNDCPLTJHM-SNVBAGLBSA-N -1 0 328.181 3.475 20 30 EGEDRM N#CCc1ccc([N-]S(=O)(=O)c2c(F)c(F)cc(F)c2F)cc1 ZINC000430987189 458514321 /nfs/dbraw/zinc/51/43/21/458514321.db2.gz JPLNINWGPPWZJM-UHFFFAOYSA-N -1 0 344.289 3.110 20 30 EGEDRM C=CCN(CCc1ccco1)C(=O)N=c1ccc(-c2ccccc2)n[n-]1 ZINC000493905287 458597490 /nfs/dbraw/zinc/59/74/90/458597490.db2.gz SEKDJFDEZFHDRW-UHFFFAOYSA-N -1 0 348.406 3.421 20 30 EGEDRM C[C@H]1CCc2onc(C([O-])=C(C#N)c3nc4ccccc4n3C)c2C1 ZINC000515034816 458804789 /nfs/dbraw/zinc/80/47/89/458804789.db2.gz URHNBOLJJLOLMF-AAEUAGOBSA-N -1 0 334.379 3.176 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(C)cc2OC)n1 ZINC000548053766 458829020 /nfs/dbraw/zinc/82/90/20/458829020.db2.gz VNAFATWJOSCUTI-LBPRGKRZSA-N -1 0 344.392 3.127 20 30 EGEDRM CC(C)(C)OC(=O)N1CC[C@H](CN=Nc2ccc(C(=O)[O-])cc2)C1 ZINC000496029150 459043265 /nfs/dbraw/zinc/04/32/65/459043265.db2.gz VALYEMNLAMBABM-GFCCVEGCSA-N -1 0 333.388 3.040 20 30 EGEDRM COc1cc2nc(C)sc2cc1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000442966369 459067211 /nfs/dbraw/zinc/06/72/11/459067211.db2.gz MNSIWDLXOOJBQP-UHFFFAOYSA-N -1 0 339.376 3.443 20 30 EGEDRM CC[C@@](NC(=O)NCC1(C#N)CCCCC1)(C(=O)[O-])c1ccccc1 ZINC000594689967 459131785 /nfs/dbraw/zinc/13/17/85/459131785.db2.gz CQYKQXKFHSCBOH-IBGZPJMESA-N -1 0 343.427 3.150 20 30 EGEDRM N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000533445185 459236590 /nfs/dbraw/zinc/23/65/90/459236590.db2.gz HGRWJTVNJJLJNZ-FUHWJXTLSA-N -1 0 347.422 3.080 20 30 EGEDRM CC(N=Nc1ccc(C(=O)[O-])c(F)c1)[C@@H](C)NC(=O)OC(C)(C)C ZINC000496688716 459287840 /nfs/dbraw/zinc/28/78/40/459287840.db2.gz BZZVMTAAJZPSBO-SECBINFHSA-N -1 0 339.367 3.225 20 30 EGEDRM C=C1CCN([C@H](C(=O)[O-])c2ccc(Br)cc2F)CC1 ZINC000582068131 459302214 /nfs/dbraw/zinc/30/22/14/459302214.db2.gz XTWAVXIPKFXBJC-ZDUSSCGKSA-N -1 0 328.181 3.366 20 30 EGEDRM CC(C)(C)OC(=O)Nc1ccccc1C([O-])=C(C#N)c1ccncn1 ZINC000496762590 459314764 /nfs/dbraw/zinc/31/47/64/459314764.db2.gz FMZZLYQKYBPWEK-CYBMUJFWSA-N -1 0 338.367 3.314 20 30 EGEDRM C=CCC[C@H](NC(=O)Nc1ccc2nc(C3CC3)oc2c1)C(=O)[O-] ZINC000569322795 459431588 /nfs/dbraw/zinc/43/15/88/459431588.db2.gz VUUTXBAPEBKBHL-ZDUSSCGKSA-N -1 0 329.356 3.246 20 30 EGEDRM Cn1nc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)cc1C1CC1 ZINC000525283836 459440784 /nfs/dbraw/zinc/44/07/84/459440784.db2.gz BPAGRHTVZQCKRJ-CYBMUJFWSA-N -1 0 349.419 3.306 20 30 EGEDRM CC(C)(C)OC(=O)N[C@@H]1CCCC(N=Nc2ccc(C(=O)[O-])cn2)C1 ZINC000497180051 459475458 /nfs/dbraw/zinc/47/54/58/459475458.db2.gz RCHFHNOTHSFRKP-GFCCVEGCSA-N -1 0 348.403 3.015 20 30 EGEDRM CC(=O)c1cc(C([O-])=C(C#N)c2nc3ccccc3n2C)c(C)nc1C ZINC000486988857 459525118 /nfs/dbraw/zinc/52/51/18/459525118.db2.gz KLFAJFPIJQIOCD-INIZCTEOSA-N -1 0 346.390 3.278 20 30 EGEDRM CC(C)n1ncc(C([O-])=C(C#N)c2ccncn2)c1-c1ccccc1 ZINC000488690865 459548080 /nfs/dbraw/zinc/54/80/80/459548080.db2.gz GCOBHZAWTVKZDD-OAHLLOKOSA-N -1 0 331.379 3.411 20 30 EGEDRM CC#CCCNS(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000498894188 459608913 /nfs/dbraw/zinc/60/89/13/459608913.db2.gz VBZIPBHWTHBHFT-UHFFFAOYSA-N -1 0 325.739 3.051 20 30 EGEDRM C=CCCCCNC(=O)N[C@@H](C(=O)[O-])c1ccc(OC(F)F)cc1 ZINC000562648465 459611371 /nfs/dbraw/zinc/61/13/71/459611371.db2.gz PGQOSFKPTCIWKE-CYBMUJFWSA-N -1 0 342.342 3.069 20 30 EGEDRM C=CCC[C@H](NC(=O)N[C@H](C)c1c(F)cccc1Cl)C(=O)[O-] ZINC000562647398 459611815 /nfs/dbraw/zinc/61/18/15/459611815.db2.gz DKPWDBCQYOWNFP-SKDRFNHKSA-N -1 0 328.771 3.259 20 30 EGEDRM C#C[C@H](NC(=O)c1s[n-]c(=O)c1Cl)c1ccc(Cl)cc1 ZINC000491744736 459665840 /nfs/dbraw/zinc/66/58/40/459665840.db2.gz WFKFIPKBEOZOEZ-VIFPVBQESA-N -1 0 327.192 3.260 20 30 EGEDRM C[C@@](C#N)(NC(=O)c1cc(F)c(F)c([O-])c1F)C1CCCCC1 ZINC000573962393 459763317 /nfs/dbraw/zinc/76/33/17/459763317.db2.gz ZPKMNTWRKJHPFS-INIZCTEOSA-N -1 0 326.318 3.402 20 30 EGEDRM C=CCc1cc(C(=O)N(C)[C@@H](CC(C)C)C(=O)[O-])cc(OC)c1OC ZINC000564584884 459774405 /nfs/dbraw/zinc/77/44/05/459774405.db2.gz IMOVQNOWZUJHIO-HNNXBMFYSA-N -1 0 349.427 3.004 20 30 EGEDRM CCc1c(C([O-])=C(C#N)c2ccncn2)cnn1-c1ccc(C)cc1 ZINC000544816290 459786014 /nfs/dbraw/zinc/78/60/14/459786014.db2.gz KEVCBADYSVVAET-HNNXBMFYSA-N -1 0 331.379 3.023 20 30 EGEDRM N#CCCCc1nc(-c2cc(F)c([O-])c(Br)c2)no1 ZINC000598683660 459993552 /nfs/dbraw/zinc/99/35/52/459993552.db2.gz NAADVHZMOBPGFF-UHFFFAOYSA-N -1 0 326.125 3.190 20 30 EGEDRM C[C@@H](NCc1ccc(C(C)(C)C#N)cc1)c1ncc(C(=O)[O-])s1 ZINC000593948395 460023217 /nfs/dbraw/zinc/02/32/17/460023217.db2.gz XZWVWHXYTJMUCM-LLVKDONJSA-N -1 0 329.425 3.493 20 30 EGEDRM C=CCC[C@@H](NC(=O)Nc1ccc(C)c(-c2nc(C)co2)c1)C(=O)[O-] ZINC000576204722 460091274 /nfs/dbraw/zinc/09/12/74/460091274.db2.gz PWZLOBHIVGVZLD-OAHLLOKOSA-N -1 0 343.383 3.499 20 30 EGEDRM CCN(C(=O)N=c1[n-]n(C)cc1C#N)[C@@H](C)c1cc2ccccc2o1 ZINC000610560630 460183640 /nfs/dbraw/zinc/18/36/40/460183640.db2.gz HJNAKOYQFARGPB-LBPRGKRZSA-N -1 0 337.383 3.075 20 30 EGEDRM Cn1cc(C#N)c(=NC(=O)N[C@H](CC(C)(C)C)c2ccc(F)cc2)[n-]1 ZINC000610561243 460183980 /nfs/dbraw/zinc/18/39/80/460183980.db2.gz HIABKMHZDWOILJ-OAHLLOKOSA-N -1 0 343.406 3.152 20 30 EGEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1ccc2c(cnn2C(F)F)c1 ZINC000610955179 460266435 /nfs/dbraw/zinc/26/64/35/460266435.db2.gz UTMIQWPAFLZMDD-UHFFFAOYSA-N -1 0 348.334 3.104 20 30 EGEDRM COc1ccc(-n2cc([O-])c(C(=O)Nc3cc(C#N)ccc3C)n2)cc1 ZINC000611527777 460388653 /nfs/dbraw/zinc/38/86/53/460388653.db2.gz IWUNNEYXZSGDDG-UHFFFAOYSA-N -1 0 348.362 3.019 20 30 EGEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000613268353 460888642 /nfs/dbraw/zinc/88/86/42/460888642.db2.gz ZBEQZBHYEQWVFX-UHFFFAOYSA-N -1 0 340.763 3.160 20 30 EGEDRM CC[C@@](C)(CC(=O)[O-])C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000601982679 460970775 /nfs/dbraw/zinc/97/07/75/460970775.db2.gz LWHHBRJUDDHHKF-AWEZNQCLSA-N -1 0 339.189 3.150 20 30 EGEDRM C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H]1[C@@H](C(=O)[O-])C1(C)C ZINC000601984539 460971582 /nfs/dbraw/zinc/97/15/82/460971582.db2.gz PBZCRDKJGARGSX-SWHYSGLUSA-N -1 0 332.425 3.234 20 30 EGEDRM C=C(C)C[C@H](NC(=O)c1cc(C2CC2)nc2ccc(F)cc21)C(=O)[O-] ZINC000630319476 461093968 /nfs/dbraw/zinc/09/39/68/461093968.db2.gz BHSCNJGDEQLPEJ-KRWDZBQOSA-N -1 0 342.370 3.401 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)c1ccc(OCCC)c(OCC)c1)C(=O)[O-] ZINC000630320385 461094847 /nfs/dbraw/zinc/09/48/47/461094847.db2.gz VBEMHOWQKMBQJP-CQSZACIVSA-N -1 0 335.400 3.023 20 30 EGEDRM C=CCn1c(C)cc(C(=O)CN2CCC(CCC(=O)[O-])CC2)c1C ZINC000662218050 461125847 /nfs/dbraw/zinc/12/58/47/461125847.db2.gz UIQNUKJTLBMSRH-UHFFFAOYSA-N -1 0 332.444 3.050 20 30 EGEDRM CSc1cc(C([O-])=C(C#N)c2nnc3n2CCCCC3)c(C)o1 ZINC000659054191 461165444 /nfs/dbraw/zinc/16/54/44/461165444.db2.gz WUWNWKWDSLOBEO-GFCCVEGCSA-N -1 0 330.413 3.118 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2cn(-c3ccc(Cl)cc3)nn2)n1 ZINC000642281721 461486076 /nfs/dbraw/zinc/48/60/76/461486076.db2.gz DTUPXJIEDSASMA-GFCCVEGCSA-N -1 0 343.799 3.176 20 30 EGEDRM C=CCC[C@H](NC(=O)NCc1ccc(C(F)(F)F)cc1C)C(=O)[O-] ZINC000654813141 462389419 /nfs/dbraw/zinc/38/94/19/462389419.db2.gz BGKOYWNDXZQJDO-ZDUSSCGKSA-N -1 0 344.333 3.232 20 30 EGEDRM C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@@H](CC)C(=O)[O-] ZINC000649262380 462460039 /nfs/dbraw/zinc/46/00/39/462460039.db2.gz FNVLCZUFENTDAA-SNVBAGLBSA-N -1 0 345.317 3.111 20 30 EGEDRM C=C[C@H](CC(=O)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1)c1ccccc1 ZINC000263165173 534673036 /nfs/dbraw/zinc/67/30/36/534673036.db2.gz YGCIMHLJPNPIDF-MLGOLLRUSA-N -1 0 341.329 3.212 20 30 EGEDRM C=CC[C@H](C(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1)c1ccccc1 ZINC000187393616 547138016 /nfs/dbraw/zinc/13/80/16/547138016.db2.gz HASSBPRFMHLTSY-INIZCTEOSA-N -1 0 335.363 3.328 20 30 EGEDRM CC(C)(CC(=O)[O-])CC(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000190664953 547173127 /nfs/dbraw/zinc/17/31/27/547173127.db2.gz ZCPLBBJPLWHOEV-UHFFFAOYSA-N -1 0 341.329 3.064 20 30 EGEDRM COc1ccc(C(=O)Nc2cc(C#N)ccc2[O-])cc1Br ZINC000748411574 574611503 /nfs/dbraw/zinc/61/15/03/574611503.db2.gz TXFFMWPTPNAYPV-UHFFFAOYSA-N -1 0 347.168 3.287 20 30 EGEDRM C[C@H]1C[C@@H](CC(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)CC(C)(C)C1 ZINC000727626090 574678158 /nfs/dbraw/zinc/67/81/58/574678158.db2.gz SNQDUBPEQZVEAP-ZFWWWQNUSA-N -1 0 348.468 3.216 20 30 EGEDRM Cc1c(NN=Cc2cccc(O[C@@H](C)C(=O)[O-])c2)cccc1[N+](=O)[O-] ZINC000727973036 574707830 /nfs/dbraw/zinc/70/78/30/574707830.db2.gz AKZPZWOZWOPCOS-LBPRGKRZSA-N -1 0 343.339 3.201 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2nc(-c3ccccc3)cs2)C(=O)O1 ZINC000727976187 574707917 /nfs/dbraw/zinc/70/79/17/574707917.db2.gz NJIBLZSYUVOVAK-QWPQOLDESA-N -1 0 339.372 3.038 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2nc(-c3ccccc3)cs2)C(=O)O1 ZINC000727976188 574707977 /nfs/dbraw/zinc/70/79/77/574707977.db2.gz NJIBLZSYUVOVAK-ZPUOCTKUSA-N -1 0 339.372 3.038 20 30 EGEDRM COCCOc1cccc(F)c1C(=O)/C=C\c1ccc(C(=O)[O-])cc1 ZINC000729240692 574831861 /nfs/dbraw/zinc/83/18/61/574831861.db2.gz WPCFKUJACWJMMP-YFHOEESVSA-N -1 0 344.338 3.445 20 30 EGEDRM COC(=O)CC[C@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000729937423 574897637 /nfs/dbraw/zinc/89/76/37/574897637.db2.gz RCWCQEHGAFQEQY-JJBLJPBOSA-N -1 0 342.351 3.414 20 30 EGEDRM COc1cc(/C=C\C(=O)c2csc(C(=O)[O-])c2)ccc1OCC#N ZINC000730150835 574926512 /nfs/dbraw/zinc/92/65/12/574926512.db2.gz XPZCXOBEDYZHKB-RQOWECAXSA-N -1 0 343.360 3.253 20 30 EGEDRM Cc1cccc2[nH]c([C@@H](C#N)C(=O)c3ccc(C(=O)[O-])s3)nc21 ZINC000738746920 575280139 /nfs/dbraw/zinc/28/01/39/575280139.db2.gz NPTYXYKQHGAAFQ-VIFPVBQESA-N -1 0 325.349 3.121 20 30 EGEDRM O=C1Nc2c(ccc(Cl)c2Cl)C1=N[N-]c1nccnc1Cl ZINC000733078915 575305782 /nfs/dbraw/zinc/30/57/82/575305782.db2.gz NFZAJYXLGRYWCT-UHFFFAOYSA-N -1 0 342.573 3.205 20 30 EGEDRM C#Cc1ccc(C(=O)OCc2c3ccccc3sc2C(=O)[O-])nc1 ZINC000736092786 575898443 /nfs/dbraw/zinc/89/84/43/575898443.db2.gz KRJQGOQRWCMLPD-UHFFFAOYSA-N -1 0 337.356 3.333 20 30 EGEDRM C#Cc1cccc(NC(=S)Nc2ccc(CNC(=O)[O-])cc2)c1 ZINC000736095238 575899274 /nfs/dbraw/zinc/89/92/74/575899274.db2.gz NGLUWNXDAPZMCT-UHFFFAOYSA-N -1 0 325.393 3.244 20 30 EGEDRM C=CCSc1ccccc1NC(=O)CSC[C@@H](C)C(=O)[O-] ZINC000736114775 575900750 /nfs/dbraw/zinc/90/07/50/575900750.db2.gz RIPJPWSAEHFPCP-LLVKDONJSA-N -1 0 325.455 3.357 20 30 EGEDRM C[C@@H](CC#N)Sc1ccccc1NC(=O)CCSCC(=O)[O-] ZINC000736545990 575982113 /nfs/dbraw/zinc/98/21/13/575982113.db2.gz VKVADOPXEKVSDK-NSHDSACASA-N -1 0 338.454 3.227 20 30 EGEDRM C[C@H](OC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)C(=O)[O-] ZINC000736686966 576005456 /nfs/dbraw/zinc/00/54/56/576005456.db2.gz BAQRPLWABOWBRR-LBPRGKRZSA-N -1 0 325.320 3.175 20 30 EGEDRM CC[C@H](C(=O)[O-])N(C(=O)CCc1ccc(C#N)cc1)c1ccccc1 ZINC000736850345 576048063 /nfs/dbraw/zinc/04/80/63/576048063.db2.gz VUYKTZHBURGCBJ-GOSISDBHSA-N -1 0 336.391 3.387 20 30 EGEDRM CC[C@H](Cc1ccccc1)C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736904325 576058413 /nfs/dbraw/zinc/05/84/13/576058413.db2.gz SBFGAHCOYGADNB-SJLPKXTDSA-N -1 0 337.375 3.496 20 30 EGEDRM CCO[C@@H](C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccccc1 ZINC000737157725 576126481 /nfs/dbraw/zinc/12/64/81/576126481.db2.gz WUZHTHNVOFVBNX-IAGOWNOFSA-N -1 0 339.347 3.005 20 30 EGEDRM CN(C(=O)c1cccc(Nc2ccc(C#N)cc2)c1)C(C)(C)C(=O)[O-] ZINC000737340421 576210767 /nfs/dbraw/zinc/21/07/67/576210767.db2.gz IFPYZBFEZZIUID-UHFFFAOYSA-N -1 0 337.379 3.237 20 30 EGEDRM CN(CCCC(=O)[O-])C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000737433102 576228392 /nfs/dbraw/zinc/22/83/92/576228392.db2.gz MSLLKHVPOBYQBK-UHFFFAOYSA-N -1 0 338.363 3.287 20 30 EGEDRM COc1ccc(CCNN=C2CCCc3oc(C(=O)[O-])c(C)c32)cc1 ZINC000737440169 576230027 /nfs/dbraw/zinc/23/00/27/576230027.db2.gz XFZJLVPOJRNBAM-UHFFFAOYSA-N -1 0 342.395 3.168 20 30 EGEDRM Cc1c(C)n(C2CCCCC2)c(NC(=O)CSCC(=O)[O-])c1C#N ZINC000738171700 576296802 /nfs/dbraw/zinc/29/68/02/576296802.db2.gz XMOQSDQBMXMHIS-UHFFFAOYSA-N -1 0 349.456 3.238 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)c2cc3c(s2)CCC3)C(=O)[O-])cc1 ZINC000739114481 576378653 /nfs/dbraw/zinc/37/86/53/576378653.db2.gz HACAEPIKGWZGPO-HNNXBMFYSA-N -1 0 327.361 3.091 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)c2cc(-c3ccccc3)no2)C(=O)[O-])cc1 ZINC000739115398 576378745 /nfs/dbraw/zinc/37/87/45/576378745.db2.gz QCGRIZFZQSGXAP-KRWDZBQOSA-N -1 0 348.314 3.196 20 30 EGEDRM N#Cc1ccc(Oc2cccc(C(=O)N3CCC[C@@H]3C(=O)[O-])c2)cc1 ZINC000739129988 576379291 /nfs/dbraw/zinc/37/92/91/576379291.db2.gz IPCGVAOODJCQDE-QGZVFWFLSA-N -1 0 336.347 3.040 20 30 EGEDRM N#Cc1ccccc1NC(=S)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000739146619 576379709 /nfs/dbraw/zinc/37/97/09/576379709.db2.gz IRVFKJSRSXHAFS-ZDUSSCGKSA-N -1 0 337.404 3.334 20 30 EGEDRM O=C([O-])COc1ccc(C(=O)C=Cc2c[nH]c(-c3ccccc3)n2)cc1 ZINC000739819293 576507388 /nfs/dbraw/zinc/50/73/88/576507388.db2.gz ONTCNUUHOIAKBQ-DHZHZOJOSA-N -1 0 348.358 3.436 20 30 EGEDRM [O-]c1c(Cl)cc(Cl)cc1/C=N\CCc1nnc2ccccn21 ZINC000743341163 576805962 /nfs/dbraw/zinc/80/59/62/576805962.db2.gz UNAXLAQXMQNATM-NVMNQCDNSA-N -1 0 335.194 3.403 20 30 EGEDRM COc1cccc(/C=C\C(=O)c2cccc(O[C@@H](C)C(=O)[O-])c2)c1 ZINC000745020840 576838672 /nfs/dbraw/zinc/83/86/72/576838672.db2.gz IHEQLFJZODPMBE-XPSMFNQNSA-N -1 0 326.348 3.443 20 30 EGEDRM CC(C)[C@@H](NC(=O)Nc1ccccc1SC[C@@H](C)C#N)C(=O)[O-] ZINC000817728030 597205071 /nfs/dbraw/zinc/20/50/71/597205071.db2.gz XVKGHQGJRBXTNO-SMDDNHRTSA-N -1 0 335.429 3.169 20 30 EGEDRM C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)C(=O)[O-] ZINC000818034589 597209234 /nfs/dbraw/zinc/20/92/34/597209234.db2.gz QHDWBHZACQKMKW-SNVBAGLBSA-N -1 0 343.314 3.084 20 30 EGEDRM C#CCOc1cc(F)ccc1NC(=O)Nc1ccccc1CC(=O)[O-] ZINC000817675473 597342830 /nfs/dbraw/zinc/34/28/30/597342830.db2.gz ZBLIVGFAFOFABB-UHFFFAOYSA-N -1 0 342.326 3.109 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)OCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000819874725 597624657 /nfs/dbraw/zinc/62/46/57/597624657.db2.gz PPQACDZRCZCAAR-MRXNPFEDSA-N -1 0 348.742 3.043 20 30 EGEDRM C[C@H](C#N)Oc1ccccc1NC(=O)Nc1ccccc1C(=O)[O-] ZINC000819874647 597657398 /nfs/dbraw/zinc/65/73/98/597657398.db2.gz OAUUOOVIZKBROU-LLVKDONJSA-N -1 0 325.324 3.320 20 30 EGEDRM Cn1cc(CNc2cccc(CC(=O)[O-])c2)c(-c2ccc(C#N)cc2)n1 ZINC000821297792 598204461 /nfs/dbraw/zinc/20/44/61/598204461.db2.gz JHPQYQXLDYQLBA-UHFFFAOYSA-N -1 0 346.390 3.198 20 30 EGEDRM C[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1ccc(Cl)cc1Cl ZINC000820114542 598222372 /nfs/dbraw/zinc/22/23/72/598222372.db2.gz PDPCPBKYAIVKFD-XLKFXECMSA-N -1 0 329.183 3.175 20 30 EGEDRM C[C@@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000820113616 598222375 /nfs/dbraw/zinc/22/23/75/598222375.db2.gz DLYPXTKLJIVZJV-CLAHSXSESA-N -1 0 329.183 3.175 20 30 EGEDRM Cc1ccccc1-c1csc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])n1 ZINC000821120170 598224006 /nfs/dbraw/zinc/22/40/06/598224006.db2.gz PRPBEWAUBAMMIF-MRXNPFEDSA-N -1 0 329.381 3.062 20 30 EGEDRM C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000820107300 598226058 /nfs/dbraw/zinc/22/60/58/598226058.db2.gz GPFDKTAJDMZKRG-PSLIRLAXSA-N -1 0 343.210 3.045 20 30 EGEDRM CCSc1ccc(Cl)cc1NC(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC000820405470 598226870 /nfs/dbraw/zinc/22/68/70/598226870.db2.gz OFCBONMWBZKPQR-CQSZACIVSA-N -1 0 326.805 3.395 20 30 EGEDRM CC(=NN=Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1)c1cnccn1 ZINC000825798731 600689757 /nfs/dbraw/zinc/68/97/57/600689757.db2.gz VNOYFEYLXYWOBV-UHFFFAOYSA-N -1 0 334.335 3.278 20 30 EGEDRM C[C@@H](NC(=O)Cn1cc(C(=O)[O-])c2ccccc21)c1cccc(C#N)c1 ZINC000827637693 600790720 /nfs/dbraw/zinc/79/07/20/600790720.db2.gz VLVLHCSDBDBUDC-CYBMUJFWSA-N -1 0 347.374 3.089 20 30 EGEDRM Cc1cc(C)c2ncc(C#N)c(N3CCC4(C[C@H]4C(=O)[O-])CC3)c2c1 ZINC000832874578 600813718 /nfs/dbraw/zinc/81/37/18/600813718.db2.gz JVFMNXUQEUQXDW-INIZCTEOSA-N -1 0 335.407 3.414 20 30 EGEDRM COc1cc(C(=O)[O-])cc(N[C@H](C)c2ccc(C#N)cc2)c1OC ZINC000831914005 600894776 /nfs/dbraw/zinc/89/47/76/600894776.db2.gz YGNJPFKDGVVJKT-LLVKDONJSA-N -1 0 326.352 3.447 20 30 EGEDRM C=CCNC(=O)CSCc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000825687293 600969434 /nfs/dbraw/zinc/96/94/34/600969434.db2.gz IBPFJMVIRAEUSE-UHFFFAOYSA-N -1 0 348.449 3.044 20 30 EGEDRM CN(Cc1cnn(-c2ccccc2)c1)[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000830869642 600983835 /nfs/dbraw/zinc/98/38/35/600983835.db2.gz ATNKVKAVSZGHIU-LJQANCHMSA-N -1 0 346.390 3.002 20 30 EGEDRM O=C([O-])[C@@H]1CCCN(C(=O)Nc2ccccc2C#Cc2ccccc2)C1 ZINC000833188646 601147438 /nfs/dbraw/zinc/14/74/38/601147438.db2.gz CPFVRGQPMXMUPI-GOSISDBHSA-N -1 0 348.402 3.415 20 30 EGEDRM CCCC1=C(C(=O)[O-])[C@H](c2ccc(C#N)s2)NC(=O)N1CC1CC1 ZINC000829246238 601202854 /nfs/dbraw/zinc/20/28/54/601202854.db2.gz ZKLWBQPWVVYJOA-HNNXBMFYSA-N -1 0 345.424 3.235 20 30 EGEDRM C#CCN(CC)C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000825614824 601242632 /nfs/dbraw/zinc/24/26/32/601242632.db2.gz YSRQUAANTMRDPW-UHFFFAOYSA-N -1 0 346.386 3.272 20 30 EGEDRM CCOc1ccc(N[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1OC ZINC000830085139 601298354 /nfs/dbraw/zinc/29/83/54/601298354.db2.gz POPRTLHNTWCKQT-KRWDZBQOSA-N -1 0 326.352 3.203 20 30 EGEDRM N#Cc1cccc([C@H](NCc2coc(-c3cccs3)n2)C(=O)[O-])c1 ZINC000833075709 601299844 /nfs/dbraw/zinc/29/98/44/601299844.db2.gz NICFIMBIHAPVQR-HNNXBMFYSA-N -1 0 339.376 3.190 20 30 EGEDRM N#Cc1cccc([C@H](OC(=O)c2ccc(F)cc2Cl)C(=O)[O-])c1 ZINC000833075823 601344545 /nfs/dbraw/zinc/34/45/45/601344545.db2.gz FMLKLRCXINRMAU-AWEZNQCLSA-N -1 0 333.702 3.333 20 30 EGEDRM N#Cc1cccc([C@H](OC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)C(=O)[O-])c1 ZINC000833076617 601346323 /nfs/dbraw/zinc/34/63/23/601346323.db2.gz XICIKTIPBBWSKK-IKGGRYGDSA-N -1 0 339.322 3.170 20 30 EGEDRM Cc1ccc(CCC(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)c(C)c1 ZINC000832930303 601347663 /nfs/dbraw/zinc/34/76/63/601347663.db2.gz GXGAKLDPYQOAJW-LJQANCHMSA-N -1 0 337.375 3.477 20 30 EGEDRM CCSc1cc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)ccn1 ZINC000830168721 601349999 /nfs/dbraw/zinc/34/99/99/601349999.db2.gz GOAXCVSDNPQPQX-OAHLLOKOSA-N -1 0 342.376 3.048 20 30 EGEDRM CC(C)c1cccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1N ZINC000827134047 601350018 /nfs/dbraw/zinc/35/00/18/601350018.db2.gz AFJDAJRSQIQXNH-QGZVFWFLSA-N -1 0 338.363 3.247 20 30 EGEDRM COc1cccc([C@@H](C)C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000832527858 601350359 /nfs/dbraw/zinc/35/03/59/601350359.db2.gz DCVNKTVKTCVTPQ-PXAZEXFGSA-N -1 0 339.347 3.039 20 30 EGEDRM CS[C@@H](C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1)c1ccccc1 ZINC000832735928 601353837 /nfs/dbraw/zinc/35/38/37/601353837.db2.gz MUJBRXVZXWTEBR-JKSUJKDBSA-N -1 0 341.388 3.331 20 30 EGEDRM Cc1nc(CCCC(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cs1 ZINC000832999199 601355881 /nfs/dbraw/zinc/35/58/81/601355881.db2.gz VIUAULUXZMPJNQ-MRXNPFEDSA-N -1 0 344.392 3.015 20 30 EGEDRM N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(C(=O)[O-])s1 ZINC000833063852 601427075 /nfs/dbraw/zinc/42/70/75/601427075.db2.gz BNINNCBSRFHVKV-UONOGXRCSA-N -1 0 340.404 3.358 20 30 EGEDRM N#Cc1c[nH]c(C(=O)OCc2c3ccccc3sc2C(=O)[O-])c1 ZINC000833067876 601430998 /nfs/dbraw/zinc/43/09/98/601430998.db2.gz IEKAIXQOQFLEJV-UHFFFAOYSA-N -1 0 326.333 3.156 20 30 EGEDRM CC[C@](C)(CC(=O)[O-])NC(=S)Nc1ccc(C#N)c(Cl)c1 ZINC000828652018 601472317 /nfs/dbraw/zinc/47/23/17/601472317.db2.gz DHLMEASIUSALIH-CQSZACIVSA-N -1 0 325.821 3.141 20 30 EGEDRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)Nc1ccc(F)c(C#N)c1)c1ccccc1 ZINC000826039745 601623593 /nfs/dbraw/zinc/62/35/93/601623593.db2.gz YLKGPIRAHPZWPJ-BDJLRTHQSA-N -1 0 341.342 3.281 20 30 EGEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](CC(=O)[O-])C1CC1 ZINC000827219444 601624241 /nfs/dbraw/zinc/62/42/41/601624241.db2.gz ZCDUUFOJMJOLJN-BXUZGUMPSA-N -1 0 347.440 3.456 20 30 EGEDRM CCN(C(=O)c1c(F)cc(C#N)cc1F)c1ccccc1C(=O)[O-] ZINC000829602710 601678431 /nfs/dbraw/zinc/67/84/31/601678431.db2.gz WLSNNJBYPCQNLC-UHFFFAOYSA-N -1 0 330.290 3.201 20 30 EGEDRM CC(C)(C(=O)[O-])c1ccc(NC(=O)c2c(F)cc(C#N)cc2F)cc1 ZINC000826126503 601681290 /nfs/dbraw/zinc/68/12/90/601681290.db2.gz DSZCPFSWCMUECW-UHFFFAOYSA-N -1 0 344.317 3.451 20 30 EGEDRM N#Cc1cc(F)c(C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)c(F)c1 ZINC000833068587 601681863 /nfs/dbraw/zinc/68/18/63/601681863.db2.gz CTVMIJUWUSNDKC-LLVKDONJSA-N -1 0 342.301 3.055 20 30 EGEDRM C[C@H](C#N)CSc1ccccc1NC(=O)N1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000825967396 601791971 /nfs/dbraw/zinc/79/19/71/601791971.db2.gz VRNNWBBCSONXQE-UPJWGTAASA-N -1 0 347.440 3.123 20 30 EGEDRM C[C@H](Oc1ccc(/C=C\C(=O)c2ccc3c(c2)COC3)cc1)C(=O)[O-] ZINC000794698776 602111675 /nfs/dbraw/zinc/11/16/75/602111675.db2.gz BUICLWDQJFCTHX-PRUHKGEBSA-N -1 0 338.359 3.465 20 30 EGEDRM COc1ccc(O)c(C(=O)/C=C/c2ccc(O[C@@H](C)C(=O)[O-])cc2)c1 ZINC000794701678 602112397 /nfs/dbraw/zinc/11/23/97/602112397.db2.gz NJZPUYTXIKDQHK-LHXVZLOVSA-N -1 0 342.347 3.149 20 30 EGEDRM C[C@@H](Oc1ccc(C=CC(=O)c2c[nH]c3ncccc23)cc1)C(=O)[O-] ZINC000794704149 602299790 /nfs/dbraw/zinc/29/97/90/602299790.db2.gz XMUDSUUTFVALGP-OJIASSBASA-N -1 0 336.347 3.311 20 30 EGEDRM Cc1c(C#N)cccc1NC(=O)N[C@H]1CCCCCC[C@@H]1C(=O)[O-] ZINC000832849570 604557227 /nfs/dbraw/zinc/55/72/27/604557227.db2.gz JHZCTSOTTZAJFC-HOCLYGCPSA-N -1 0 329.400 3.412 20 30 EGEDRM Cc1cc([C@@H](C)OC(=O)[C@@H](C)Oc2ccccc2C#N)oc1C(=O)[O-] ZINC000832873875 604562845 /nfs/dbraw/zinc/56/28/45/604562845.db2.gz ITEWAGNVMGVFOA-VXGBXAGGSA-N -1 0 343.335 3.230 20 30 EGEDRM CC(=O)N1CCCN(Cc2cccc(C(=O)[O-])c2C#N)c2ccccc21 ZINC000833392612 604614804 /nfs/dbraw/zinc/61/48/04/604614804.db2.gz CBZRGIRDOWZQRH-UHFFFAOYSA-N -1 0 349.390 3.020 20 30 EGEDRM O=C([O-])COc1ccc(C(=O)/C=C/c2cc(F)c(F)cc2F)cc1 ZINC000129934858 604626401 /nfs/dbraw/zinc/62/64/01/604626401.db2.gz XVKVBKYNDGGHSG-ZZXKWVIFSA-N -1 0 336.265 3.463 20 30 EGEDRM CCN(C(C)=O)c1nc(/C=C\C(=O)c2ccc(C(=O)[O-])cc2)cs1 ZINC000829602571 604628726 /nfs/dbraw/zinc/62/87/26/604628726.db2.gz QTLJKIYRCDGVOH-HJWRWDBZSA-N -1 0 344.392 3.110 20 30 EGEDRM CC(=NNC(=S)NC1CCCCC1)[C@@H](C)CCCCC(=O)[O-] ZINC000814715799 604634749 /nfs/dbraw/zinc/63/47/49/604634749.db2.gz LHBPFPLUIJMVKC-LBPRGKRZSA-N -1 0 327.494 3.440 20 30 EGEDRM C#CC[C@@H](NC(=O)N(C)Cc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000833360049 604644231 /nfs/dbraw/zinc/64/42/31/604644231.db2.gz AUVJENBCWPGPMY-GOSISDBHSA-N -1 0 336.391 3.291 20 30 EGEDRM C#CC[C@H](NC(=O)N(C)Cc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000833360050 604644379 /nfs/dbraw/zinc/64/43/79/604644379.db2.gz AUVJENBCWPGPMY-SFHVURJKSA-N -1 0 336.391 3.291 20 30 EGEDRM Cc1nccn1-c1ccc(C(C)N=Nc2ccc(C(=O)[O-])cn2)cc1 ZINC000763368503 604670068 /nfs/dbraw/zinc/67/00/68/604670068.db2.gz MZNKCSSUQHHNSK-UHFFFAOYSA-N -1 0 335.367 3.110 20 30 EGEDRM COc1cccc(O)c1C=Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000832562261 604790150 /nfs/dbraw/zinc/79/01/50/604790150.db2.gz LOVWYZWZFWSFEW-UHFFFAOYSA-N -1 0 335.743 3.268 20 30 EGEDRM CCc1[nH]c(C(=O)N[C@@H](CCC#N)c2ccccc2)c(C)c1C(=O)[O-] ZINC000833669729 604941582 /nfs/dbraw/zinc/94/15/82/604941582.db2.gz VYIJDWJHMFRBDP-HNNXBMFYSA-N -1 0 339.395 3.359 20 30 EGEDRM C#Cc1cccc(NC(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)c1 ZINC000833368052 605037636 /nfs/dbraw/zinc/03/76/36/605037636.db2.gz ZTRUEAJUQXMCOO-GOSISDBHSA-N -1 0 336.391 3.266 20 30 EGEDRM C=CCN(Cc1ccc(Cl)s1)C(=O)c1cncc(C(=O)[O-])c1 ZINC000833374604 605097664 /nfs/dbraw/zinc/09/76/64/605097664.db2.gz TUQDGOKXYMZJQW-UHFFFAOYSA-N -1 0 336.800 3.323 20 30 EGEDRM CC(=[NH+][N-]c1ccccc1C(=O)[O-])c1ccc(N2CCOCC2)cc1 ZINC000812441609 605101129 /nfs/dbraw/zinc/10/11/29/605101129.db2.gz DCNFYNOGGPTLOQ-UHFFFAOYSA-N -1 0 339.395 3.058 20 30 EGEDRM O=C([O-])c1ccccc1NN=Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000833783812 605101658 /nfs/dbraw/zinc/10/16/58/605101658.db2.gz SLRXUIFUMPQURO-MRXNPFEDSA-N -1 0 340.379 3.389 20 30 EGEDRM O=C([O-])c1ccccc1NN=Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000833783811 605101944 /nfs/dbraw/zinc/10/19/44/605101944.db2.gz SLRXUIFUMPQURO-INIZCTEOSA-N -1 0 340.379 3.389 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@@H]1CCC(=O)[C@H](C)C1 ZINC000833379657 605147006 /nfs/dbraw/zinc/14/70/06/605147006.db2.gz JOFYKAJWEXOESM-DGCLKSJQSA-N -1 0 346.379 3.033 20 30 EGEDRM C=CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1C(=O)[O-] ZINC000833376019 605193560 /nfs/dbraw/zinc/19/35/60/605193560.db2.gz LGSYOVJKLSQHQN-UHFFFAOYSA-N -1 0 345.420 3.070 20 30 EGEDRM C[C@H](Oc1ccc(/C=C/C(=O)c2ccc(C#N)c(F)c2)cc1)C(=O)[O-] ZINC000794715389 605200657 /nfs/dbraw/zinc/20/06/57/605200657.db2.gz XMMBRAZYNTZRGP-KFRNIWOLSA-N -1 0 339.322 3.445 20 30 EGEDRM CCOc1ccc(/C=N/Cc2ccc(C(=O)[O-])c(C3CC3)n2)c(O)c1 ZINC000833664143 605574340 /nfs/dbraw/zinc/57/43/40/605574340.db2.gz PFULANSVFMUSPW-KEBDBYFISA-N -1 0 340.379 3.381 20 30 EGEDRM C=CCN(CC=C)C(=O)CSCc1cc(C(=O)[O-])ccc1Cl ZINC000833375430 605788176 /nfs/dbraw/zinc/78/81/76/605788176.db2.gz WWLXOFSTYBLPMV-UHFFFAOYSA-N -1 0 339.844 3.472 20 30 EGEDRM CC(C)c1nc(-c2nnn[n-]2)c(N=NC[C@H]2C[C@H]2c2ccccc2)o1 ZINC000824352438 607887366 /nfs/dbraw/zinc/88/73/66/607887366.db2.gz DGDPARVFQNFPCB-OLZOCXBDSA-N -1 0 337.387 3.180 20 30 EGEDRM COc1cccc(C(=O)/C=C/c2ccc(OCC(=O)[O-])c(OC)c2)c1 ZINC000007742403 1291088062 /nfs/dbraw/zinc/08/80/62/1291088062.db2.gz STDHYMOSWUJLJQ-SOFGYWHQSA-N -1 0 342.347 3.063 20 30 EGEDRM COc1ccc(OC)c(C(=O)/C=C/c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000036313507 1291396686 /nfs/dbraw/zinc/39/66/86/1291396686.db2.gz DASFVUWDDNODBZ-ZZXKWVIFSA-N -1 0 329.308 3.214 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)COc2c(C)cccc2C)cc1 ZINC000042235399 1291437041 /nfs/dbraw/zinc/43/70/41/1291437041.db2.gz GDIZHGMYURABQC-UHFFFAOYSA-N -1 0 333.409 3.336 20 30 EGEDRM CC(C)(C)CC(=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000042241248 1291437267 /nfs/dbraw/zinc/43/72/67/1291437267.db2.gz NZQOQKDWCKCTFE-UHFFFAOYSA-N -1 0 334.781 3.330 20 30 EGEDRM COc1cccc(CC(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000046708893 1291551499 /nfs/dbraw/zinc/55/14/99/1291551499.db2.gz GUWCRMJCBNZKIA-UHFFFAOYSA-N -1 0 339.800 3.237 20 30 EGEDRM COc1ccc(CC(=O)[N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000046929220 1291557867 /nfs/dbraw/zinc/55/78/67/1291557867.db2.gz XPDFIHHRMZPDEH-UHFFFAOYSA-N -1 0 333.409 3.200 20 30 EGEDRM COc1cccc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000046928705 1291558003 /nfs/dbraw/zinc/55/80/03/1291558003.db2.gz PETFQEMEBATWDC-UHFFFAOYSA-N -1 0 331.802 3.104 20 30 EGEDRM O=C([N-]S(=O)(=O)c1ccc(Cl)s1)c1cccc([N+](=O)[O-])c1 ZINC000046928659 1291558027 /nfs/dbraw/zinc/55/80/27/1291558027.db2.gz OQWSDCHSSCVMBB-UHFFFAOYSA-N -1 0 346.773 3.003 20 30 EGEDRM Cc1cccc(OCC(=O)[N-]S(=O)(=O)c2ccc(C)c(C)c2)c1 ZINC000046929822 1291558166 /nfs/dbraw/zinc/55/81/66/1291558166.db2.gz KWHFNYWFAYALAS-UHFFFAOYSA-N -1 0 333.409 3.336 20 30 EGEDRM Cc1cccc(C)c1OCCC(=O)[N-]S(=O)(=O)c1ccccc1 ZINC000048406591 1291603065 /nfs/dbraw/zinc/60/30/65/1291603065.db2.gz STXFWJLBMHPJRR-UHFFFAOYSA-N -1 0 333.409 3.418 20 30 EGEDRM COc1ccccc1C=C(C(=O)[N-]S(C)(=O)=O)c1ccccc1 ZINC000048478973 1291606726 /nfs/dbraw/zinc/60/67/26/1291606726.db2.gz QHHXOAYKQFDJPJ-NTCAYCPXSA-N -1 0 331.393 3.152 20 30 EGEDRM COCCCC(=O)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000048519282 1291609243 /nfs/dbraw/zinc/60/92/43/1291609243.db2.gz LGDHUZFRARGZRH-UHFFFAOYSA-N -1 0 326.201 3.065 20 30 EGEDRM COCc1ccccc1C(=O)[N-]S(=O)(=O)C=Cc1ccccc1 ZINC000048531319 1291610017 /nfs/dbraw/zinc/61/00/17/1291610017.db2.gz ROCKUXJALOUPLD-QXMHVHEDSA-N -1 0 331.393 3.138 20 30 EGEDRM COCc1ccc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1 ZINC000048612398 1291613006 /nfs/dbraw/zinc/61/30/06/1291613006.db2.gz QVBRXQCSFABYLH-UHFFFAOYSA-N -1 0 345.420 3.015 20 30 EGEDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)C=Cc1ccccc1 ZINC000054488152 1291753633 /nfs/dbraw/zinc/75/36/33/1291753633.db2.gz PKNGPPLNWSRDHA-JXMROGBWSA-N -1 0 346.364 3.262 20 30 EGEDRM O=C([N-]S(=O)(=O)Cc1ccc(Cl)nc1)c1ccc(Cl)cc1 ZINC000058150804 1291880584 /nfs/dbraw/zinc/88/05/84/1291880584.db2.gz AXJBPHUOZRROHZ-UHFFFAOYSA-N -1 0 345.207 3.223 20 30 EGEDRM CN(Cc1ccccc1)S(=O)(=O)[N-]C(=O)C1(c2ccccc2)CC1 ZINC000069643352 1292246975 /nfs/dbraw/zinc/24/69/75/1292246975.db2.gz ODPVRLMCKXITRE-UHFFFAOYSA-N -1 0 344.436 3.052 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)C2(Cc3ccccc3)CCOCC2)c1 ZINC000827829549 1292383374 /nfs/dbraw/zinc/38/33/74/1292383374.db2.gz NURFQDONLGNJEN-UHFFFAOYSA-N -1 0 336.391 3.242 20 30 EGEDRM COc1ccc(S(=O)(=O)[N-]C(=O)Cc2cc(C)ccc2C)cc1 ZINC000076607358 1292433217 /nfs/dbraw/zinc/43/32/17/1292433217.db2.gz ZUQOQEFTSSWRRD-UHFFFAOYSA-N -1 0 333.409 3.200 20 30 EGEDRM Cc1ccc(C)c(CC(=O)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000076607267 1292433359 /nfs/dbraw/zinc/43/33/59/1292433359.db2.gz QBPHTPBRQDLAFX-UHFFFAOYSA-N -1 0 348.380 3.100 20 30 EGEDRM CCCCS(=O)(=O)[N-]C(=O)c1cc(Br)ccc1C ZINC000076762061 1292441045 /nfs/dbraw/zinc/44/10/45/1292441045.db2.gz NAAWCEAGYYKXFR-UHFFFAOYSA-N -1 0 334.235 3.192 20 30 EGEDRM Cc1ccc(CCCC(=O)[N-]S(=O)(=O)N2CCCCC2)s1 ZINC000080380397 1292598657 /nfs/dbraw/zinc/59/86/57/1292598657.db2.gz DTLXJQBDMYZQRD-UHFFFAOYSA-N -1 0 330.475 3.066 20 30 EGEDRM O=C([N-]S(=O)(=O)Cc1ccccc1Cl)c1ccc(F)cc1 ZINC000083791914 1292690186 /nfs/dbraw/zinc/69/01/86/1292690186.db2.gz VDVRNRDPIJFEQC-UHFFFAOYSA-N -1 0 327.764 3.314 20 30 EGEDRM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)Cc2c(F)cccc2F)c1 ZINC000088799882 1292756430 /nfs/dbraw/zinc/75/64/30/1292756430.db2.gz XWHVMILLOYKHHD-UHFFFAOYSA-N -1 0 339.363 3.470 20 30 EGEDRM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(SC)o1 ZINC000112484022 1293128615 /nfs/dbraw/zinc/12/86/15/1293128615.db2.gz OMIYVGDPUIYLQF-NSHDSACASA-N -1 0 344.392 3.361 20 30 EGEDRM CC(C)(C)OC(=O)N[C@H](CN=Nc1ccc(C(=O)[O-])cc1)CC1CC1 ZINC000834911648 1293173965 /nfs/dbraw/zinc/17/39/65/1293173965.db2.gz FHJUKIIRLTVZLF-HNNXBMFYSA-N -1 0 347.415 3.476 20 30 EGEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1cc2ccncc2s1 ZINC000835063059 1293196505 /nfs/dbraw/zinc/19/65/05/1293196505.db2.gz ZNILYPJMIJFFFA-CYBMUJFWSA-N -1 0 327.409 3.068 20 30 EGEDRM N#CCCN(Cc1cccnc1)C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000118881883 1293246948 /nfs/dbraw/zinc/24/69/48/1293246948.db2.gz NDEZQDVWIUWEJF-UHFFFAOYSA-N -1 0 338.392 3.068 20 30 EGEDRM CC(C)(C#N)CS(=O)(=O)[N-]C(=O)C1=C(c2ccccc2)CCCC1 ZINC000835275961 1293249358 /nfs/dbraw/zinc/24/93/58/1293249358.db2.gz MZICFGPBERGMLH-UHFFFAOYSA-N -1 0 346.452 3.010 20 30 EGEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1ccc(Cl)c(Cl)c1 ZINC000119688155 1293282800 /nfs/dbraw/zinc/28/28/00/1293282800.db2.gz FLSIYOUYDACVCC-NSHDSACASA-N -1 0 325.195 3.375 20 30 EGEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)CSc1ccc2ccccc2c1 ZINC000122575336 1293417777 /nfs/dbraw/zinc/41/77/77/1293417777.db2.gz FUMWQEXNSZGKBX-MRXNPFEDSA-N -1 0 349.415 3.257 20 30 EGEDRM Cc1c(C([O-])=C(C#N)C(=O)N2CCCC2)sc2cccc(F)c12 ZINC000124576291 1293479692 /nfs/dbraw/zinc/47/96/92/1293479692.db2.gz JTNRGNZQBUILQJ-NSHDSACASA-N -1 0 330.384 3.294 20 30 EGEDRM COCCCNC(=O)C(C#N)=C([O-])c1ccc(C2CCCCC2)cc1 ZINC000125033216 1293493192 /nfs/dbraw/zinc/49/31/92/1293493192.db2.gz ZQZFBPNPRGKKCY-GOSISDBHSA-N -1 0 342.439 3.209 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cc(OC)c(C)c(OC)c1 ZINC000125678772 1293514615 /nfs/dbraw/zinc/51/46/15/1293514615.db2.gz JNXONRSUWAHQBA-HNNXBMFYSA-N -1 0 346.427 3.031 20 30 EGEDRM N#CC(C(=O)NC1CC1)=C([O-])c1cnc(-c2ccccc2Cl)s1 ZINC000127662815 1293570274 /nfs/dbraw/zinc/57/02/74/1293570274.db2.gz GGOGPDOEAWXSQK-NSHDSACASA-N -1 0 345.811 3.065 20 30 EGEDRM COc1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])c([O-])c2)cc1OC ZINC000129512374 1293626543 /nfs/dbraw/zinc/62/65/43/1293626543.db2.gz FSJPATIWFPFHKB-QPJJXVBHSA-N -1 0 329.308 3.214 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(OCC2CC2)cc1 ZINC000148977350 1293884828 /nfs/dbraw/zinc/88/48/28/1293884828.db2.gz XMZRPJRRXFGTIC-QGZVFWFLSA-N -1 0 328.412 3.104 20 30 EGEDRM C[C@H](CC(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1)C1CCCCC1 ZINC000171339031 1294402921 /nfs/dbraw/zinc/40/29/21/1294402921.db2.gz CCUUNAUEMZYBLW-CQSZACIVSA-N -1 0 348.468 3.111 20 30 EGEDRM O=C([O-])CCOc1cccc(/C=C2\Oc3cc(F)cc(F)c3C2=O)c1 ZINC000184350023 1295190622 /nfs/dbraw/zinc/19/06/22/1295190622.db2.gz LXKNEYUTYLGNPD-CHHVJCJISA-N -1 0 346.285 3.435 20 30 EGEDRM Cc1ccn(C[C@@H](C)C(=O)C(C#N)=C([O-])c2c(C)[nH]c3ccccc32)n1 ZINC000870122228 1295674092 /nfs/dbraw/zinc/67/40/92/1295674092.db2.gz HEZIZGZWPOVCAN-MLGOLLRUSA-N -1 0 348.406 3.209 20 30 EGEDRM COc1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([O-])c1 ZINC000193047423 1295830412 /nfs/dbraw/zinc/83/04/12/1295830412.db2.gz MIAFYGKIDNFNDG-XVNBXDOJSA-N -1 0 344.279 3.113 20 30 EGEDRM CCCCCCCCC(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1 ZINC000195495306 1296072302 /nfs/dbraw/zinc/07/23/02/1296072302.db2.gz HJJOCJSGLXTYEM-UHFFFAOYSA-N -1 0 336.457 3.255 20 30 EGEDRM COc1ccc(-c2n[n-]c(=S)n2N=Cc2ccco2)cc1OC ZINC000254656117 1296474722 /nfs/dbraw/zinc/47/47/22/1296474722.db2.gz FDKJPDNJKOWFAF-UHFFFAOYSA-N -1 0 330.369 3.100 20 30 EGEDRM Cn1cc(/C=C\C(=O)c2ccc(O)cc2[O-])c(-c2cccs2)n1 ZINC000255057741 1296493407 /nfs/dbraw/zinc/49/34/07/1296493407.db2.gz YMNJLXUGHRZZKR-DAXSKMNVSA-N -1 0 326.377 3.456 20 30 EGEDRM O=C1Cc2cc(N=Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])ccc2N1 ZINC000255516156 1296541158 /nfs/dbraw/zinc/54/11/58/1296541158.db2.gz SRAPBAIDOAUXOG-UHFFFAOYSA-N -1 0 331.715 3.199 20 30 EGEDRM CO[C@H](C)C(=O)Nc1cccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000255915248 1296578948 /nfs/dbraw/zinc/57/89/48/1296578948.db2.gz CJUHOBRPKIFOMC-LLVKDONJSA-N -1 0 343.339 3.024 20 30 EGEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N/C[C@@H](O)c2ccsc2)c1[O-] ZINC000304261575 1296909217 /nfs/dbraw/zinc/90/92/17/1296909217.db2.gz FWNHBBAVQUPBJK-UHFUPMITSA-N -1 0 326.761 3.168 20 30 EGEDRM Cc1nc(-c2ccc(C)cc2)sc1C([O-])=C(C#N)C(=O)NC(C)C ZINC000873498688 1297544584 /nfs/dbraw/zinc/54/45/84/1297544584.db2.gz SRTYKHVHOFMFSU-CQSZACIVSA-N -1 0 341.436 3.274 20 30 EGEDRM CON=Cc1ccc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC000588392492 1298055570 /nfs/dbraw/zinc/05/55/70/1298055570.db2.gz ZKEAIECLHZEIHG-UHFFFAOYSA-N -1 0 349.730 3.186 20 30 EGEDRM C/C(=C/C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)C(C)(C)C ZINC000744113868 1298413974 /nfs/dbraw/zinc/41/39/74/1298413974.db2.gz ILTITQJQOZRLCM-YFHOEESVSA-N -1 0 340.832 3.009 20 30 EGEDRM Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)[N-]c1cnn(CC#N)c1 ZINC000747406270 1298776411 /nfs/dbraw/zinc/77/64/11/1298776411.db2.gz BIMSHRSMWPCVEU-UHFFFAOYSA-N -1 0 346.456 3.122 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)COc2ccccc2C(F)(F)F)c1 ZINC000748411072 1299005072 /nfs/dbraw/zinc/00/50/72/1299005072.db2.gz WBZXAJHTXGQBFT-UHFFFAOYSA-N -1 0 336.269 3.300 20 30 EGEDRM N#Cc1csc(/C=C(/C(=O)C(=O)[O-])c2ccc3ccccc3n2)c1 ZINC000748438920 1299007786 /nfs/dbraw/zinc/00/77/86/1299007786.db2.gz HTTYGOZUMTZUHV-RIYZIHGNSA-N -1 0 334.356 3.362 20 30 EGEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc2c1CCCC2 ZINC000748641316 1299055736 /nfs/dbraw/zinc/05/57/36/1299055736.db2.gz JNHKSKJMBQOFEA-UHFFFAOYSA-N -1 0 342.420 3.246 20 30 EGEDRM O=C(/C=C/c1ccc([O-])c([N+](=O)[O-])c1)c1cc([N+](=O)[O-])ccc1F ZINC000752886184 1299812701 /nfs/dbraw/zinc/81/27/01/1299812701.db2.gz VZOXIQJZMHXJPP-ORCRQEGFSA-N -1 0 332.243 3.244 20 30 EGEDRM COCCc1nc2cc(N=Cc3cc([N+](=O)[O-])ccc3[O-])ccc2o1 ZINC000753138887 1299880777 /nfs/dbraw/zinc/88/07/77/1299880777.db2.gz QFRBOTSBJTUASO-UHFFFAOYSA-N -1 0 341.323 3.381 20 30 EGEDRM Cn1ncc2c1nc(N=NC1CC(c3cccc(Cl)c3)C1)[n-]c2=O ZINC000753932398 1300043208 /nfs/dbraw/zinc/04/32/08/1300043208.db2.gz OWDLSXCAFVRGKK-UHFFFAOYSA-N -1 0 342.790 3.068 20 30 EGEDRM Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)C(C#N)=C([O-])c1nccn1C ZINC000753993607 1300059822 /nfs/dbraw/zinc/05/98/22/1300059822.db2.gz GMJFIEIHQSVFQM-IIAWOOMASA-N -1 0 335.407 3.301 20 30 EGEDRM Cc1ccccc1C1N=NC(=S)N1N=Cc1cc(C(=O)[O-])cs1 ZINC000755563921 1300358798 /nfs/dbraw/zinc/35/87/98/1300358798.db2.gz YBKWNAHAGUFGPR-UHFFFAOYSA-N -1 0 344.421 3.184 20 30 EGEDRM C=CCC(CC=C)C(=O)[N-]S(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000756093115 1300436739 /nfs/dbraw/zinc/43/67/39/1300436739.db2.gz GSDLAMUXKHKBIP-UHFFFAOYSA-N -1 0 335.469 3.458 20 30 EGEDRM COc1ccc(-c2ccccc2)cc1C=NNc1nnc(C)c(=O)[n-]1 ZINC000756823166 1300572016 /nfs/dbraw/zinc/57/20/16/1300572016.db2.gz GTMNGPUGEXVTPC-UHFFFAOYSA-N -1 0 335.367 3.007 20 30 EGEDRM COc1cc(/C=C/C(=O)c2cc(F)cc(F)c2[O-])cc(OC)c1O ZINC000757471391 1300673635 /nfs/dbraw/zinc/67/36/35/1300673635.db2.gz BLSBVQAOAVZVEY-ONEGZZNKSA-N -1 0 336.290 3.289 20 30 EGEDRM COc1cc(/C=C/C(=O)c2cc(C)ccc2O)ccc1OCC(=O)[O-] ZINC000757468663 1300673719 /nfs/dbraw/zinc/67/37/19/1300673719.db2.gz UVGNDTHNEDCEJU-QPJJXVBHSA-N -1 0 342.347 3.069 20 30 EGEDRM O=C(/C=C\c1ccc(N2CCOCC2)c(F)c1)c1ccc(F)cc1[O-] ZINC000757476800 1300676738 /nfs/dbraw/zinc/67/67/38/1300676738.db2.gz SFPQMPAUMWIDRO-KXFIGUGUSA-N -1 0 345.345 3.403 20 30 EGEDRM CC(C)c1ncc(C=Nn2c(=O)c3ccccc3[n-]c2=S)s1 ZINC000758372931 1300864967 /nfs/dbraw/zinc/86/49/67/1300864967.db2.gz CJOMASQOLRRIOJ-UHFFFAOYSA-N -1 0 330.438 3.147 20 30 EGEDRM COc1cc2c(cc1/C=C1/Oc3cc(O)cc(C)c3C1=O)OCO2 ZINC000758929569 1300982503 /nfs/dbraw/zinc/98/25/03/1300982503.db2.gz CXWYTQJVVMHVBB-FZSIALSZSA-N -1 0 326.304 3.054 20 30 EGEDRM O=C(/C=C\c1cccc(-n2cccn2)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000759091828 1301013547 /nfs/dbraw/zinc/01/35/47/1301013547.db2.gz VNYAGPNPJXSHMW-ALCCZGGFSA-N -1 0 335.319 3.382 20 30 EGEDRM O=C([O-])c1ccc2c(c1)n[nH]c2CN=Nc1nccc2sccc21 ZINC000765573969 1302284683 /nfs/dbraw/zinc/28/46/83/1302284683.db2.gz ZCBVCPIVLGGHKD-UHFFFAOYSA-N -1 0 337.364 3.317 20 30 EGEDRM Cc1nnc(NN=Cc2ccc(Oc3cccc(F)c3)cc2)[n-]c1=O ZINC000766434447 1302451870 /nfs/dbraw/zinc/45/18/70/1302451870.db2.gz YWKZZHSOYIAJCY-UHFFFAOYSA-N -1 0 339.330 3.263 20 30 EGEDRM Cc1nn(CC(=O)Nc2cc(C#N)ccc2[O-])cc1-c1ccccc1 ZINC000768121759 1302827447 /nfs/dbraw/zinc/82/74/47/1302827447.db2.gz QGZBDTWJPSXVLA-UHFFFAOYSA-N -1 0 332.363 3.075 20 30 EGEDRM N#Cc1cnc([N-]S(=O)(=O)/C=C/c2cccc(Cl)c2)s1 ZINC000768862736 1303000302 /nfs/dbraw/zinc/00/03/02/1303000302.db2.gz YDPGIXFFKHRRLZ-SNAWJCMRSA-N -1 0 325.802 3.081 20 30 EGEDRM N#CCn1cc(NC(=O)c2cc(Cl)c3ccccc3c2[O-])cn1 ZINC000769737443 1303167960 /nfs/dbraw/zinc/16/79/60/1303167960.db2.gz GIDKQEPGJYLRJR-UHFFFAOYSA-N -1 0 326.743 3.171 20 30 EGEDRM CCC(CC)n1ccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)n1 ZINC000769946050 1303196740 /nfs/dbraw/zinc/19/67/40/1303196740.db2.gz NQGOEXDBEPOMLE-HNNXBMFYSA-N -1 0 330.432 3.016 20 30 EGEDRM CCCCCCCCCC(=O)[N-]S(=O)(=O)CC1(C#N)CCC1 ZINC000771075987 1303357970 /nfs/dbraw/zinc/35/79/70/1303357970.db2.gz KPZYMRCWAAVBLR-UHFFFAOYSA-N -1 0 328.478 3.267 20 30 EGEDRM C=CCNC(=O)C(C#N)=C([O-])c1cccc(-c2ccccc2OCC)c1 ZINC000772643669 1303558057 /nfs/dbraw/zinc/55/80/57/1303558057.db2.gz CNMLULWVYIHLMV-SFHVURJKSA-N -1 0 348.402 3.377 20 30 EGEDRM C=CCS(=O)(=O)[N-]C(=O)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000772712953 1303567062 /nfs/dbraw/zinc/56/70/62/1303567062.db2.gz GTTSIFZTSXBSBQ-UHFFFAOYSA-N -1 0 341.841 3.314 20 30 EGEDRM O=C1c2cc([N+](=O)[O-])ccc2CC/C1=C\c1cc([O-])ccc1[N+](=O)[O-] ZINC000773152320 1303634092 /nfs/dbraw/zinc/63/40/92/1303634092.db2.gz VINRBQXCYUPBIX-YRNVUSSQSA-N -1 0 340.291 3.421 20 30 EGEDRM CC(C)(C)OC(=O)N[C@@H]1CCCC1N=Nc1ccccc1C(=O)[O-] ZINC000773187991 1303639558 /nfs/dbraw/zinc/63/95/58/1303639558.db2.gz ADTWPEGMWSDIOL-CYBMUJFWSA-N -1 0 333.388 3.230 20 30 EGEDRM CCOc1nc(C(=O)C(C#N)=C([O-])c2c(C)[nH]c3ccccc32)co1 ZINC000773958027 1303756728 /nfs/dbraw/zinc/75/67/28/1303756728.db2.gz XRFCMOYKBOUFPK-LBPRGKRZSA-N -1 0 337.335 3.068 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)ns1 ZINC000774051511 1303768873 /nfs/dbraw/zinc/76/88/73/1303768873.db2.gz JDVFPCMGPOSTNE-SECBINFHSA-N -1 0 337.763 3.205 20 30 EGEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1nc(C)c(C)s1)c1ccccc1 ZINC000774259985 1303791657 /nfs/dbraw/zinc/79/16/57/1303791657.db2.gz LVHXPFSGOQRJIR-LSDHHAIUSA-N -1 0 341.436 3.350 20 30 EGEDRM CC(=NNCCCOc1ccccc1)c1cc(C(=O)[O-])c(C)nc1C ZINC000776730387 1304189179 /nfs/dbraw/zinc/18/91/79/1304189179.db2.gz UUFBRGSHVCJCJR-UHFFFAOYSA-N -1 0 341.411 3.179 20 30 EGEDRM COc1cccc(CC(C)N=Nc2ccc(Cl)c(C(=O)[O-])c2)n1 ZINC000782894062 1305021157 /nfs/dbraw/zinc/02/11/57/1305021157.db2.gz RYLQMYSZQLFLQG-UHFFFAOYSA-N -1 0 333.775 3.472 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)CCCc2ccsc2)n1 ZINC000783262618 1305073684 /nfs/dbraw/zinc/07/36/84/1305073684.db2.gz LNALNVGYBAIIKI-ZDUSSCGKSA-N -1 0 348.449 3.255 20 30 EGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@H]1CCC(=O)[C@@H](C)C1 ZINC000783340943 1305082218 /nfs/dbraw/zinc/08/22/18/1305082218.db2.gz LHGOUJLFJPTARK-CORIIIEPSA-N -1 0 336.391 3.373 20 30 EGEDRM C=CC(C)(C)CC(=O)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000892424625 1305366077 /nfs/dbraw/zinc/36/60/77/1305366077.db2.gz QKIFWVGZVUKLSM-UHFFFAOYSA-N -1 0 342.269 3.462 20 30 EGEDRM CSc1ccc(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)o1 ZINC000786541161 1305594355 /nfs/dbraw/zinc/59/43/55/1305594355.db2.gz WASRKMOGOWZRBG-LBPRGKRZSA-N -1 0 348.811 3.294 20 30 EGEDRM CC(=Nn1c(C(F)(F)F)n[n-]c1=S)c1cnn(C(C)(C)C)c1C ZINC000787151194 1305697442 /nfs/dbraw/zinc/69/74/42/1305697442.db2.gz ZQVPAOQQRXDBMU-UHFFFAOYSA-N -1 0 346.382 3.118 20 30 EGEDRM CC(=NNC(=S)NCc1ccccc1)c1cc(C(=O)[O-])ccc1C ZINC000788416526 1305938030 /nfs/dbraw/zinc/93/80/30/1305938030.db2.gz XDTYGNCBOJZBPN-UHFFFAOYSA-N -1 0 341.436 3.082 20 30 EGEDRM CNC(=O)C(C#N)=C([O-])c1ccc(-c2ccccc2C(F)(F)F)o1 ZINC000789347086 1306144504 /nfs/dbraw/zinc/14/45/04/1306144504.db2.gz BEJGCRFPDMNTQA-SNVBAGLBSA-N -1 0 336.269 3.034 20 30 EGEDRM N#CCCCOc1cccc(NC(=O)c2c([O-])c(O)ccc2F)c1 ZINC000789958658 1306237871 /nfs/dbraw/zinc/23/78/71/1306237871.db2.gz HKOZBHGYPCBNDR-UHFFFAOYSA-N -1 0 330.315 3.172 20 30 EGEDRM Cc1nn(C)c(/C=C/C(=O)c2ccc(C)cc2[O-])c1Br ZINC000790599612 1306358173 /nfs/dbraw/zinc/35/81/73/1306358173.db2.gz ABVGVTOSMJMLPG-VOTSOKGWSA-N -1 0 335.201 3.401 20 30 EGEDRM N#Cc1ccccc1N1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000792163371 1309133137 /nfs/dbraw/zinc/13/31/37/1309133137.db2.gz XXLSVMOBAAJHGD-UHFFFAOYSA-N -1 0 345.805 3.379 20 30 EGEDRM CC[C@@H](NN=Cc1cc(OC)c(OC)cc1-c1ccccc1)C(=O)[O-] ZINC000793072793 1309290396 /nfs/dbraw/zinc/29/03/96/1309290396.db2.gz PKQQDURGMXAYOM-MRXNPFEDSA-N -1 0 342.395 3.158 20 30 EGEDRM CC[C@@H](NN=Cc1cn(Cc2ccccc2)c2ccccc12)C(=O)[O-] ZINC000793071982 1309290875 /nfs/dbraw/zinc/29/08/75/1309290875.db2.gz KDBGOZNANZUGOA-GOSISDBHSA-N -1 0 335.407 3.476 20 30 EGEDRM CC[C@H](NN=Cc1cccc(OCc2ccccc2F)c1)C(=O)[O-] ZINC000793073525 1309291101 /nfs/dbraw/zinc/29/11/01/1309291101.db2.gz WZNOSMTUHDLCNT-KRWDZBQOSA-N -1 0 330.359 3.191 20 30 EGEDRM CC[C@H](NN=C(C)c1ccc(OCc2ccccc2)cc1)C(=O)[O-] ZINC000793077096 1309291532 /nfs/dbraw/zinc/29/15/32/1309291532.db2.gz ABSYHIOBWHZCGR-SFHVURJKSA-N -1 0 326.396 3.442 20 30 EGEDRM CC(C)n1nccc1/C=C(/C(=O)C(=O)[O-])c1ccc2ccccc2n1 ZINC000794931086 1309624455 /nfs/dbraw/zinc/62/44/55/1309624455.db2.gz JIHBHYDXIZQDBW-RVDMUPIBSA-N -1 0 335.363 3.207 20 30 EGEDRM COc1cc(/C=C2/CCc3ccc(O)cc3C2=O)cc([N+](=O)[O-])c1[O-] ZINC000794960011 1309633337 /nfs/dbraw/zinc/63/33/37/1309633337.db2.gz ILAVAJGHFUQQRD-SDQBBNPISA-N -1 0 341.319 3.227 20 30 EGEDRM CC[C@H](C)[C@H](OC)C(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21 ZINC000796629920 1310049159 /nfs/dbraw/zinc/04/91/59/1310049159.db2.gz RTDMXDJXHAYKFL-SZEPBZDZSA-N -1 0 326.396 3.429 20 30 EGEDRM C=CCC(C)(C)C(=O)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000796687505 1310064627 /nfs/dbraw/zinc/06/46/27/1310064627.db2.gz UWWPOYMAQIOIPC-UHFFFAOYSA-N -1 0 336.240 3.401 20 30 EGEDRM Cc1c2cc(C#N)ccc2sc1C([O-])=C(C#N)C(=O)N1CCCC1 ZINC000796741657 1310076200 /nfs/dbraw/zinc/07/62/00/1310076200.db2.gz QRUDEXIEXNUJKP-CQSZACIVSA-N -1 0 337.404 3.026 20 30 EGEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)C1CC(C)(C)C1 ZINC000796820219 1310093298 /nfs/dbraw/zinc/09/32/98/1310093298.db2.gz VERHNNWMDWDNJP-ZDUSSCGKSA-N -1 0 344.411 3.136 20 30 EGEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1cc(C#N)oc1C)c1ccccc1 ZINC000797961251 1310276645 /nfs/dbraw/zinc/27/66/45/1310276645.db2.gz HSHTWUWVRNPHFA-IRXDYDNUSA-N -1 0 335.363 3.050 20 30 EGEDRM CCOc1cccc(S(=O)(=O)[N-]c2ccccc2O[C@H](C)C#N)c1 ZINC000799925896 1310639921 /nfs/dbraw/zinc/63/99/21/1310639921.db2.gz WJWGUWJEUWYNNR-CYBMUJFWSA-N -1 0 346.408 3.177 20 30 EGEDRM CC(C)c1ccc2c(c1)C(=O)/C(=C/c1cc(C(=O)[O-])nn1C)CCO2 ZINC000899364229 1317002693 /nfs/dbraw/zinc/00/26/93/1317002693.db2.gz OCEDXVMOQAUARP-MDWZMJQESA-N -1 0 340.379 3.291 20 30 EGEDRM O=C([O-])c1coc2c1C(=O)/C(=C/c1cnn(CC3CCC3)c1)CC2 ZINC000899378989 1317010007 /nfs/dbraw/zinc/01/00/07/1317010007.db2.gz FJSGZEVYZNUEOK-AWNIVKPZSA-N -1 0 326.352 3.187 20 30 EGEDRM CCn1cnc(/C=C\C(=O)c2cc(C(=O)[O-])ccc2OC(C)C)c1 ZINC000899386931 1317013751 /nfs/dbraw/zinc/01/37/51/1317013751.db2.gz GOMJXFUUXGIJSX-SREVYHEPSA-N -1 0 328.368 3.285 20 30 EGEDRM N#CC(C(=O)NCc1cccc(Cl)c1)=C([O-])c1occ2c1CCC2 ZINC000802797462 1317042914 /nfs/dbraw/zinc/04/29/14/1317042914.db2.gz VTTIFJDCFFRCJS-HNNXBMFYSA-N -1 0 342.782 3.061 20 30 EGEDRM Cc1sc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C(=O)[O-])c(C#N)c1C ZINC000899761713 1317148669 /nfs/dbraw/zinc/14/86/69/1317148669.db2.gz JIFXRADUBGGAQW-PBYNLASCSA-N -1 0 330.409 3.088 20 30 EGEDRM C=CCCOCCNC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000805235194 1317329506 /nfs/dbraw/zinc/32/95/06/1317329506.db2.gz XOKXBSJDKRSJQY-UHFFFAOYSA-N -1 0 333.215 3.091 20 30 EGEDRM CS[C@@H]1CCCC(=NNc2nc(=O)c3cnn(C(C)(C)C)c3[nH]2)C1 ZINC000901189713 1317390976 /nfs/dbraw/zinc/39/09/76/1317390976.db2.gz UWNHJLRFESYSRU-LLVKDONJSA-N -1 0 348.476 3.360 20 30 EGEDRM O=C([O-])[C@@H]1C/C(=C\c2cn(-c3ccccc3)nn2)C(=O)c2ccccc21 ZINC000806562807 1317501574 /nfs/dbraw/zinc/50/15/74/1317501574.db2.gz PGGZJAKJNBQPDZ-LVMGUKCRSA-N -1 0 345.358 3.106 20 30 EGEDRM O=C([O-])COc1cccc(/C=C2\Cc3nc(Cl)ccc3C2=O)c1 ZINC000806579887 1317505835 /nfs/dbraw/zinc/50/58/35/1317505835.db2.gz VHMMUMCWGXOWJA-IZZDOVSWSA-N -1 0 329.739 3.021 20 30 EGEDRM C#CCCCS(=O)(=O)[N-]c1c(C)cccc1C(=O)OC(C)(C)C ZINC000903642555 1317715882 /nfs/dbraw/zinc/71/58/82/1317715882.db2.gz QKMHWSGWLZLVGM-UHFFFAOYSA-N -1 0 337.441 3.105 20 30 EGEDRM COc1ccc2c(c1F)C/C(=C/c1ccc([N+](=O)[O-])c([O-])c1)C2=O ZINC000809156887 1317776742 /nfs/dbraw/zinc/77/67/42/1317776742.db2.gz OMYVXETYTBFXOF-POHAHGRESA-N -1 0 329.283 3.271 20 30 EGEDRM COc1ccc2c(c1F)C/C(=C\c1ccc(OCC(=O)[O-])cc1)C2=O ZINC000809156874 1317776812 /nfs/dbraw/zinc/77/68/12/1317776812.db2.gz OBMABPUZXFXVSV-XYOKQWHBSA-N -1 0 342.322 3.120 20 30 EGEDRM O=C([O-])c1cc(/C=C2\CCc3ccc([N+](=O)[O-])cc3C2=O)ccc1O ZINC000809157969 1317776829 /nfs/dbraw/zinc/77/68/29/1317776829.db2.gz UVNCESCLSJMQBX-KPKJPENVSA-N -1 0 339.303 3.211 20 30 EGEDRM C#CCC(C)(C)C(=O)[N-]S(=O)(=O)c1cc(C(C)(C)C)ccc1C ZINC000810517529 1318015772 /nfs/dbraw/zinc/01/57/72/1318015772.db2.gz RFIOWFUQERBIQX-UHFFFAOYSA-N -1 0 335.469 3.147 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)/C(C)=C/c2ccc(Cl)cc2)CC1 ZINC000810984509 1318086615 /nfs/dbraw/zinc/08/66/15/1318086615.db2.gz DCENMORFLQKNIP-VAWYXSNFSA-N -1 0 339.844 3.298 20 30 EGEDRM O=C([O-])c1ccc2c(c1)CCCCC2N=Nc1ccc(Cl)nn1 ZINC000811630309 1318215514 /nfs/dbraw/zinc/21/55/14/1318215514.db2.gz YGQUBYCVIYMUGH-UHFFFAOYSA-N -1 0 330.775 3.371 20 30 EGEDRM C#CCOc1ccc(F)cc1NC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000811819352 1318273434 /nfs/dbraw/zinc/27/34/34/1318273434.db2.gz PDSJUEFZGVXLDA-UHFFFAOYSA-N -1 0 347.729 3.442 20 30 EGEDRM N#Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1cccc(C(F)F)c1 ZINC000811830737 1318275952 /nfs/dbraw/zinc/27/59/52/1318275952.db2.gz CFCNGKINCIXZFP-UHFFFAOYSA-N -1 0 343.742 3.345 20 30 EGEDRM Cc1c(Cl)nccc1[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000811835596 1318276327 /nfs/dbraw/zinc/27/63/27/1318276327.db2.gz CUSLGHBNHBEBOK-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM Cn1cc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)c(C(F)F)n1 ZINC000812221949 1318345993 /nfs/dbraw/zinc/34/59/93/1318345993.db2.gz FSFMMRCRIMOEMO-UHFFFAOYSA-N -1 0 328.706 3.155 20 30 EGEDRM C=CCC1(CNC(=O)N[C@H](CCOC(C)(C)C)C(=O)[O-])CCCC1 ZINC000909024903 1318427739 /nfs/dbraw/zinc/42/77/39/1318427739.db2.gz NKXRGWXKUKAQPL-CQSZACIVSA-N -1 0 340.464 3.081 20 30 EGEDRM N#CC(=C([O-])c1occ2c1CCOC2)c1cc(C(F)(F)F)ccn1 ZINC000813217242 1318515891 /nfs/dbraw/zinc/51/58/91/1318515891.db2.gz FAOLSJAGWVFROA-GFCCVEGCSA-N -1 0 336.269 3.256 20 30 EGEDRM O=c1[n-][nH]c(=O)n1N=Cc1c(Cl)cccc1Oc1ccccc1 ZINC000814232244 1318706890 /nfs/dbraw/zinc/70/68/90/1318706890.db2.gz YYDBLVMZBBSBIM-UHFFFAOYSA-N -1 0 330.731 3.017 20 30 EGEDRM O=C([O-])c1cccc(C=NNC(=S)NC2CCCCC2)c1Cl ZINC000814715578 1318803193 /nfs/dbraw/zinc/80/31/93/1318803193.db2.gz CNYXVIGTUXGCTK-UHFFFAOYSA-N -1 0 339.848 3.169 20 30 EGEDRM CCOc1ccc(NC(=S)NN=C2CC[C@H](C(=O)[O-])[C@@H](C)C2)cc1 ZINC000814718051 1318803997 /nfs/dbraw/zinc/80/39/97/1318803997.db2.gz ZPECMGWFLKVNQY-NHYWBVRUSA-N -1 0 349.456 3.249 20 30 EGEDRM CCOc1ccc(NC(=S)NN=C2CC[C@@H](C(=O)[O-])[C@@H](C)C2)cc1 ZINC000814718052 1318804805 /nfs/dbraw/zinc/80/48/05/1318804805.db2.gz ZPECMGWFLKVNQY-XHDPSFHLSA-N -1 0 349.456 3.249 20 30 EGEDRM C[C@H]1C(=NNC(=S)N[C@H]2CCC[C@@H](C)[C@@H]2C)CC[C@@H]1CC(=O)[O-] ZINC000814758404 1318810567 /nfs/dbraw/zinc/81/05/67/1318810567.db2.gz AJBSVAPKBKLUAE-ITGHMWBKSA-N -1 0 339.505 3.152 20 30 EGEDRM C[C@H]1C(N=Nc2ccc(Br)nc2)CC[C@H]1CC(=O)[O-] ZINC000814847196 1318829485 /nfs/dbraw/zinc/82/94/85/1318829485.db2.gz DFYUTXFVGIHAML-BDAKNGLRSA-N -1 0 326.194 3.133 20 30 EGEDRM C[C@H]1C(=NNc2nc(=O)c3ccccc3[nH]2)CC[C@H](C(=O)[O-])C1(C)C ZINC000814868856 1318834143 /nfs/dbraw/zinc/83/41/43/1318834143.db2.gz LIBONQQADJRVER-CMPLNLGQSA-N -1 0 342.399 3.260 20 30 EGEDRM N#Cc1cc(Cl)nc(NN=Cc2cccc(C(=O)[O-])c2Cl)c1 ZINC000814891316 1318840968 /nfs/dbraw/zinc/84/09/68/1318840968.db2.gz GFGWVLKERRBGCU-UHFFFAOYSA-N -1 0 335.150 3.404 20 30 EGEDRM N#Cc1cc(Cl)nc(N=NC2CC(C(=O)[O-])(c3ccccc3)C2)c1 ZINC000814891467 1318841636 /nfs/dbraw/zinc/84/16/36/1318841636.db2.gz WBLQIRSNFXPADN-UHFFFAOYSA-N -1 0 340.770 3.191 20 30 EGEDRM O=C([O-])C1(c2ccccc2)CC(N=Nc2cccc(F)c2[N+](=O)[O-])C1 ZINC000814918830 1318848972 /nfs/dbraw/zinc/84/89/72/1318848972.db2.gz HBSMWGVMEXNWAF-UHFFFAOYSA-N -1 0 343.314 3.318 20 30 EGEDRM CCOc1ccc(NN=Cc2ccc([N+](=O)[O-])c(OC)c2O)cc1 ZINC000814984852 1318862780 /nfs/dbraw/zinc/86/27/80/1318862780.db2.gz WGKJMYLMEKYPNV-UHFFFAOYSA-N -1 0 331.328 3.154 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(OC(C)(C)C)cn1 ZINC000815904656 1319070128 /nfs/dbraw/zinc/07/01/28/1319070128.db2.gz MJXJWGVBBAUJRL-HNNXBMFYSA-N -1 0 345.443 3.278 20 30 EGEDRM O=C(/C=C/c1ccc([O-])c([N+](=O)[O-])c1)c1ccc2c(c1)CCC(=O)N2 ZINC000915993140 1319580905 /nfs/dbraw/zinc/58/09/05/1319580905.db2.gz KJMIDEBDTFDXGB-LZCJLJQNSA-N -1 0 338.319 3.081 20 30 EGEDRM O=C([O-])c1ccc(C=NNC(=S)Nc2cccc(Cl)c2)cc1 ZINC000916285244 1319632274 /nfs/dbraw/zinc/63/22/74/1319632274.db2.gz APEMKBAODWCUGL-UHFFFAOYSA-N -1 0 333.800 3.359 20 30 EGEDRM C[C@@H]1CCC[C@@H](NC(=S)NN=Cc2ccccc2C(=O)[O-])[C@H]1C ZINC000916607668 1319682887 /nfs/dbraw/zinc/68/28/87/1319682887.db2.gz KWVPQDJWNSNQTD-TYNCELHUSA-N -1 0 333.457 3.008 20 30 EGEDRM CCCCCCCCNC(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000916652394 1319692504 /nfs/dbraw/zinc/69/25/04/1319692504.db2.gz ZSHZXMAWNFCMSX-UHFFFAOYSA-N -1 0 326.462 3.148 20 30 EGEDRM C=CCNC(=O)C(C#N)=C([O-])c1csc(-c2cccc(Cl)c2)n1 ZINC000916920360 1319724837 /nfs/dbraw/zinc/72/48/37/1319724837.db2.gz JBERPAVRADEYDH-GFCCVEGCSA-N -1 0 345.811 3.088 20 30 EGEDRM C=CCNC(=O)C(C#N)=C([O-])c1ccc(-c2ccccc2Cl)o1 ZINC000916918033 1319724898 /nfs/dbraw/zinc/72/48/98/1319724898.db2.gz OVNJVFGBTUZLGI-LBPRGKRZSA-N -1 0 328.755 3.225 20 30 EGEDRM C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000820614419 1319921473 /nfs/dbraw/zinc/92/14/73/1319921473.db2.gz FVLSOLPGSMLGTR-UHFFFAOYSA-N -1 0 336.240 3.401 20 30 EGEDRM C=CCC[C@H](NCc1cccc(Br)c1[O-])C(=O)OCC ZINC000825117890 1320311947 /nfs/dbraw/zinc/31/19/47/1320311947.db2.gz LYMPBQYLHZHVMI-ZDUSSCGKSA-N -1 0 342.233 3.142 20 30 EGEDRM CC(C)(CC#N)CNC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000838753621 1320812884 /nfs/dbraw/zinc/81/28/84/1320812884.db2.gz NBLLEFFACDHQHH-UHFFFAOYSA-N -1 0 330.215 3.438 20 30 EGEDRM C#CCCCS(=O)(=O)[N-]c1nnc([C@H](CC)c2ccccc2)s1 ZINC000840948419 1321184184 /nfs/dbraw/zinc/18/41/84/1321184184.db2.gz HRYQVUARFIUDLQ-CQSZACIVSA-N -1 0 349.481 3.235 20 30 EGEDRM Cc1c(N=NC(C)[C@H](C)NC(=O)OC(C)(C)C)cccc1C(=O)[O-] ZINC000844623659 1321626128 /nfs/dbraw/zinc/62/61/28/1321626128.db2.gz PNDMJIPNCHSFKF-NSHDSACASA-N -1 0 335.404 3.394 20 30 EGEDRM C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccc(OCC2CCCCC2)cc1 ZINC000846152884 1321771767 /nfs/dbraw/zinc/77/17/67/1321771767.db2.gz CEGNJXWCVHIOSC-CQSZACIVSA-N -1 0 346.427 3.207 20 30 EGEDRM C=C[C@H](C)O[N-]C(=O)[C@H](C)Oc1ccc(C)cc1Br ZINC000846548860 1321793201 /nfs/dbraw/zinc/79/32/01/1321793201.db2.gz GSQMQSYYWSQSCH-QWRGUYRKSA-N -1 0 328.206 3.147 20 30 EGEDRM N#Cc1cccc(CS(=O)(=O)[N-]C(=O)CCC2CCCCCC2)c1 ZINC000847638255 1321886518 /nfs/dbraw/zinc/88/65/18/1321886518.db2.gz RMWKHSUYCPEFQU-UHFFFAOYSA-N -1 0 348.468 3.255 20 30 EGEDRM CN(CCCCN=Nc1ccc(CC(=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000848414683 1321958211 /nfs/dbraw/zinc/95/82/11/1321958211.db2.gz QHNPWNQUXVKVDG-UHFFFAOYSA-N -1 0 349.431 3.359 20 30 EGEDRM CC(CCCCCCC(=O)[O-])N=Nc1ncc(Br)cn1 ZINC000848419736 1321958365 /nfs/dbraw/zinc/95/83/65/1321958365.db2.gz DPQZMYFKJUZPGF-UHFFFAOYSA-N -1 0 343.225 3.452 20 30 EGEDRM CCCC[C@@](C)(F)C(=O)OCC([O-])=C(C#N)c1nc(C)cs1 ZINC000849847547 1322155083 /nfs/dbraw/zinc/15/50/83/1322155083.db2.gz YLCIDUYZEILBHJ-XHDPSFHLSA-N -1 0 326.393 3.089 20 30 EGEDRM C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)c1ccc([O-])c(Cl)c1 ZINC000854607754 1325283405 /nfs/dbraw/zinc/28/34/05/1325283405.db2.gz RAFQPXZUJAISCX-LLVKDONJSA-N -1 0 325.792 3.016 20 30 EGEDRM C=CC[C@H](NC(=O)N1CCC[C@@]1(CCC)C(=O)[O-])c1ccncc1 ZINC000929032733 1328492865 /nfs/dbraw/zinc/49/28/65/1328492865.db2.gz HTPJFELILBVRGU-YJBOKZPZSA-N -1 0 331.416 3.128 20 30 EGEDRM C=C(C)CO[N-]C(=O)C1(CNC(=O)OCc2ccccc2)CCCC1 ZINC000862132541 1329461018 /nfs/dbraw/zinc/46/10/18/1329461018.db2.gz IDBCXWDQBSHTTE-UHFFFAOYSA-N -1 0 346.427 3.097 20 30 EGEDRM Cn1c(C=NNc2ccc(F)cc2)c(Br)cc1C(=O)[O-] ZINC001322942384 1387254494 /nfs/dbraw/zinc/25/44/94/1387254494.db2.gz BYMRFTRKAPHDFV-UHFFFAOYSA-N -1 0 340.152 3.071 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1[N-][NH+]=Cc1ccc(N2CCCC2)cc1 ZINC001324451053 1387625432 /nfs/dbraw/zinc/62/54/32/1387625432.db2.gz TZJIFQFNBJVMGT-UHFFFAOYSA-N -1 0 339.395 3.440 20 30 EGEDRM N#Cc1ccc(-c2ccccc2[N-]S(=O)(=O)c2ccsc2)nc1 ZINC001185392297 1387703048 /nfs/dbraw/zinc/70/30/48/1387703048.db2.gz NEFYZBWKUUTXTG-UHFFFAOYSA-N -1 0 341.417 3.483 20 30 EGEDRM CC(C)(C#N)c1cccc([N-]S(=O)(=O)c2ccc(Cl)nc2)c1 ZINC001185680613 1387776339 /nfs/dbraw/zinc/77/63/39/1387776339.db2.gz YCCXQOWCBQVQIQ-UHFFFAOYSA-N -1 0 335.816 3.337 20 30 EGEDRM N#Cc1cccc(Cl)c1[N-]S(=O)(=O)Cc1ccc(F)c(F)c1 ZINC001189309147 1366984394 /nfs/dbraw/zinc/98/43/94/1366984394.db2.gz KYHIFZRHKOEZJO-UHFFFAOYSA-N -1 0 342.754 3.432 20 30 EGEDRM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(F)cc(F)c1F ZINC001190388826 1367248368 /nfs/dbraw/zinc/24/83/68/1367248368.db2.gz ZUCQVEJVVRDENZ-UHFFFAOYSA-N -1 0 326.299 3.085 20 30 EGEDRM N#Cc1cccc(Cl)c1[N-]S(=O)(=O)c1cc(F)cc(F)c1F ZINC001190388926 1367248794 /nfs/dbraw/zinc/24/87/94/1367248794.db2.gz CTPSZJHCWIVIKU-UHFFFAOYSA-N -1 0 346.717 3.430 20 30 EGEDRM Cc1cccc(C#N)c1[N-]S(=O)(=O)c1cc(F)cc(F)c1F ZINC001190389570 1367249398 /nfs/dbraw/zinc/24/93/98/1367249398.db2.gz IJXUPGZKVKWVPS-UHFFFAOYSA-N -1 0 326.299 3.085 20 30 EGEDRM Cc1cc(C#N)cc(C#N)c1[N-]S(=O)(=O)c1ccc(C2CC2)cc1 ZINC001190499841 1367278759 /nfs/dbraw/zinc/27/87/59/1367278759.db2.gz LANVIYUTRDSGSN-UHFFFAOYSA-N -1 0 337.404 3.417 20 30 EGEDRM COc1cc(C#N)c(F)cc1[N-]S(=O)(=O)c1ccc(C2CC2)cc1 ZINC001190507753 1367281238 /nfs/dbraw/zinc/28/12/38/1367281238.db2.gz WUSZRDUVHRYJSK-UHFFFAOYSA-N -1 0 346.383 3.384 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc3ccccc3n2)c1 ZINC001190607929 1367306931 /nfs/dbraw/zinc/30/69/31/1367306931.db2.gz DNSCSJJXDOMVJE-UHFFFAOYSA-N -1 0 327.340 3.046 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]c2cccc(Br)c2C#N)CC1 ZINC001190806502 1367354453 /nfs/dbraw/zinc/35/44/53/1367354453.db2.gz DIXYDRJQHSNBCW-UHFFFAOYSA-N -1 0 341.230 3.171 20 30 EGEDRM N#Cc1c(Cl)c(Cl)ccc1[N-]S(=O)(=O)c1ccncc1 ZINC001190898195 1367378026 /nfs/dbraw/zinc/37/80/26/1367378026.db2.gz QUTOWDFQMVRWCV-UHFFFAOYSA-N -1 0 328.180 3.061 20 30 EGEDRM CCc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c(O)c1 ZINC001190969955 1367391664 /nfs/dbraw/zinc/39/16/64/1367391664.db2.gz VHXLYBLZNQWLCY-UHFFFAOYSA-N -1 0 336.800 3.280 20 30 EGEDRM Cc1cc(C#N)c([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)cc1F ZINC001190981686 1367394997 /nfs/dbraw/zinc/39/49/97/1367394997.db2.gz PFGIYYJEFLCHCF-UHFFFAOYSA-N -1 0 349.774 3.332 20 30 EGEDRM N#CCc1ccccc1S(=O)(=O)[N-]c1ccn(C2CCCCC2)n1 ZINC001325010477 1387874178 /nfs/dbraw/zinc/87/41/78/1387874178.db2.gz BPEHSYHBOZIVPZ-UHFFFAOYSA-N -1 0 344.440 3.255 20 30 EGEDRM COc1cc(C(=O)Nc2c(C#N)ccc(F)c2F)cc(Cl)c1[O-] ZINC001191148929 1367433425 /nfs/dbraw/zinc/43/34/25/1367433425.db2.gz VKNNMZFIJMGPJX-UHFFFAOYSA-N -1 0 338.697 3.456 20 30 EGEDRM N#Cc1cnc(NC(=O)c2cccc([S-])c2)c(Br)c1 ZINC001186130307 1387876106 /nfs/dbraw/zinc/87/61/06/1387876106.db2.gz MJMMOFCDJHTZRY-UHFFFAOYSA-N -1 0 334.198 3.257 20 30 EGEDRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1sc(C)cc1C#N ZINC001191787017 1367587371 /nfs/dbraw/zinc/58/73/71/1367587371.db2.gz BILAMNYFYBNTFN-UHFFFAOYSA-N -1 0 336.438 3.436 20 30 EGEDRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1cccc(CC#N)c1 ZINC001191828040 1367604213 /nfs/dbraw/zinc/60/42/13/1367604213.db2.gz HCCNIULQDGGCAO-UHFFFAOYSA-N -1 0 330.409 3.261 20 30 EGEDRM NC(=NC(=O)c1c([O-])c(F)ccc1F)c1ccc2cc(O)ccc2c1 ZINC001192719558 1367860798 /nfs/dbraw/zinc/86/07/98/1367860798.db2.gz MKNCRONUTJVCIB-UHFFFAOYSA-N -1 0 342.301 3.075 20 30 EGEDRM N#Cc1ccc(NC(=O)c2ccc(F)c(F)c2[O-])c2cccnc12 ZINC001192809971 1367878776 /nfs/dbraw/zinc/87/87/76/1367878776.db2.gz AOMWYRGARPMFPB-UHFFFAOYSA-N -1 0 325.274 3.343 20 30 EGEDRM C#Cc1ccc([N-]S(=O)(=O)c2cc(CC)ccc2OC)cc1F ZINC001192818581 1367881274 /nfs/dbraw/zinc/88/12/74/1367881274.db2.gz OWJJSSKIVOMLRL-UHFFFAOYSA-N -1 0 333.384 3.179 20 30 EGEDRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2cc(F)ccc2C#N)c1 ZINC001192821623 1367881896 /nfs/dbraw/zinc/88/18/96/1367881896.db2.gz RIAJZEKSFZRDDI-UHFFFAOYSA-N -1 0 334.372 3.069 20 30 EGEDRM Cc1c(Cl)c(C#N)ccc1[N-]S(=O)(=O)c1cnccc1Cl ZINC001192897110 1367898940 /nfs/dbraw/zinc/89/89/40/1367898940.db2.gz INMHBYZBTBEYAX-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1cc(-c2ccc(F)cc2)sc1C#N ZINC001193105630 1367945343 /nfs/dbraw/zinc/94/53/43/1367945343.db2.gz APAOVXHKIIEWEB-VIFPVBQESA-N -1 0 335.385 3.080 20 30 EGEDRM CCOC(=O)c1cc2cc[nH]c2cc1NC(=O)c1ccc([O-])c(C#N)c1 ZINC001193506785 1368048029 /nfs/dbraw/zinc/04/80/29/1368048029.db2.gz XVVPGMJCEFXOTP-UHFFFAOYSA-N -1 0 349.346 3.174 20 30 EGEDRM N#Cc1cccc(C(=O)Nc2cc(F)c(Cl)nc2Cl)c1[O-] ZINC001193634873 1368080407 /nfs/dbraw/zinc/08/04/07/1368080407.db2.gz KPMBLYADWVGLJB-UHFFFAOYSA-N -1 0 326.114 3.357 20 30 EGEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cc3cccccc-3c2)c1 ZINC001193644262 1368082872 /nfs/dbraw/zinc/08/28/72/1368082872.db2.gz CQAKPVWZYKXVPB-UHFFFAOYSA-N -1 0 338.388 3.472 20 30 EGEDRM COCCCOc1ccc(F)cc1NC(=O)c1cccc(C#N)c1[O-] ZINC001193646325 1368082935 /nfs/dbraw/zinc/08/29/35/1368082935.db2.gz GVSCQTDIDLDMQW-UHFFFAOYSA-N -1 0 344.342 3.071 20 30 EGEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2ccnc(C3CCC3)c2)c1 ZINC001193652798 1368086143 /nfs/dbraw/zinc/08/61/43/1368086143.db2.gz ACUKLAGRKOEMPB-UHFFFAOYSA-N -1 0 343.408 3.030 20 30 EGEDRM N#Cc1cccc(C(=O)NCc2nc(-c3ccccc3)cs2)c1[O-] ZINC001193657865 1368086888 /nfs/dbraw/zinc/08/68/88/1368086888.db2.gz JGKDKTZYGDQZMP-UHFFFAOYSA-N -1 0 335.388 3.317 20 30 EGEDRM N#Cc1c2ccccc2sc1[N-]S(=O)(=O)C1CCC(=O)CC1 ZINC001194758896 1368317032 /nfs/dbraw/zinc/31/70/32/1368317032.db2.gz BTERELQROWYPEW-UHFFFAOYSA-N -1 0 334.422 3.026 20 30 EGEDRM N#Cc1cc2cccnc2nc1NC(=O)c1cc(Cl)c(F)cc1[O-] ZINC001196454628 1368618122 /nfs/dbraw/zinc/61/81/22/1368618122.db2.gz UYQSQMVDHVDOHG-UHFFFAOYSA-N -1 0 342.717 3.252 20 30 EGEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cncc(C2CC2)c1 ZINC001196651636 1368656584 /nfs/dbraw/zinc/65/65/84/1368656584.db2.gz IHASUTHMYQVXCX-UHFFFAOYSA-N -1 0 333.800 3.285 20 30 EGEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(Cl)c1O ZINC001196679822 1368661297 /nfs/dbraw/zinc/66/12/97/1368661297.db2.gz NLJCUKURCPNZNL-UHFFFAOYSA-N -1 0 343.191 3.371 20 30 EGEDRM N#Cc1c(F)cc(NC(=S)Nc2ccc(C(=O)[O-])cc2)cc1F ZINC001197119761 1368748168 /nfs/dbraw/zinc/74/81/68/1368748168.db2.gz SJFQFBZZMLECPU-UHFFFAOYSA-N -1 0 333.319 3.344 20 30 EGEDRM C=CCc1c(F)c(F)c(C(=O)[N-]c2oc(C)nc2C#N)c(F)c1F ZINC001186712550 1387999808 /nfs/dbraw/zinc/99/98/08/1387999808.db2.gz BBXGRSXJAUKHRE-UHFFFAOYSA-N -1 0 339.248 3.392 20 30 EGEDRM Cc1cccc(S(=O)(=O)[N-]c2cc(F)c(F)c(C#N)c2)c1F ZINC001200797840 1369431049 /nfs/dbraw/zinc/43/10/49/1369431049.db2.gz GWBWGNLWQJEZGQ-UHFFFAOYSA-N -1 0 326.299 3.085 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2csc3ncccc23)cc1C#N ZINC001201292584 1369511858 /nfs/dbraw/zinc/51/18/58/1369511858.db2.gz FKVDEVXBLHETEY-UHFFFAOYSA-N -1 0 329.406 3.277 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2c(Cl)cccc2C#N)cc1C#N ZINC001201317483 1369517447 /nfs/dbraw/zinc/51/74/47/1369517447.db2.gz SXOISUKIIZQMSK-UHFFFAOYSA-N -1 0 331.784 3.193 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2c(C)ccc(C)c2C#N)cc1C#N ZINC001201324282 1369519773 /nfs/dbraw/zinc/51/97/73/1369519773.db2.gz ZOOZYWLKOAVUDP-UHFFFAOYSA-N -1 0 325.393 3.156 20 30 EGEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)c1cc2c(s1)CCCC2 ZINC001187210673 1388072996 /nfs/dbraw/zinc/07/29/96/1388072996.db2.gz XBMHVLDKUOJCCL-UHFFFAOYSA-N -1 0 348.449 3.308 20 30 EGEDRM CCOCCS(=O)(=O)[N-]c1sc2cc(Cl)ccc2c1C#N ZINC001187246363 1388080776 /nfs/dbraw/zinc/08/07/76/1388080776.db2.gz OKWBOQVPFTUDNP-UHFFFAOYSA-N -1 0 344.845 3.205 20 30 EGEDRM C=C1CC=C(F)C=C1NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001187599504 1388129244 /nfs/dbraw/zinc/12/92/44/1388129244.db2.gz XTELEMNOKZNXNC-UHFFFAOYSA-N -1 0 343.763 3.014 20 30 EGEDRM C=C[C@H](CC)CC(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccc(F)cc2F)C1 ZINC001120418494 1371568686 /nfs/dbraw/zinc/56/86/86/1371568686.db2.gz RLLJDIADGNUOQO-DFBGVHRSSA-N -1 0 337.366 3.194 20 30 EGEDRM COc1cc(C#N)ccc1Nc1c(C)cc(C)cc1S(=O)(=O)[O-] ZINC001209433991 1372105798 /nfs/dbraw/zinc/10/57/98/1372105798.db2.gz TVHCZMPOCGPWDY-UHFFFAOYSA-N -1 0 332.381 3.174 20 30 EGEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1nsc2ccccc21 ZINC001122541481 1372270320 /nfs/dbraw/zinc/27/03/20/1372270320.db2.gz SYBDXLNTUFCLGI-CYBMUJFWSA-N -1 0 327.409 3.068 20 30 EGEDRM N#Cc1ccccc1Nc1c(O)cc(S(=O)(=O)[O-])c2ccccc21 ZINC001210738964 1372417203 /nfs/dbraw/zinc/41/72/03/1372417203.db2.gz KJEKDBPXMOHLDI-UHFFFAOYSA-N -1 0 340.360 3.407 20 30 EGEDRM COC(=O)c1ccc(Nc2ccc(C(=O)[O-])c(F)c2F)c(C#N)c1 ZINC001212515807 1372718468 /nfs/dbraw/zinc/71/84/68/1372718468.db2.gz PHKDZDLILCXEQG-UHFFFAOYSA-N -1 0 332.262 3.065 20 30 EGEDRM COc1cc([O-])c(-c2nc(-c3cc(C#N)ccc3F)no2)c(OC)c1 ZINC001216757323 1373339960 /nfs/dbraw/zinc/33/99/60/1373339960.db2.gz RANMLKJPBYYHAG-UHFFFAOYSA-N -1 0 341.298 3.137 20 30 EGEDRM Cc1ccc(-c2nc(-c3cc(C#N)ccc3F)no2)c([N+](=O)[O-])c1[O-] ZINC001216856724 1373352284 /nfs/dbraw/zinc/35/22/84/1373352284.db2.gz KPCGPDTVJVCEHA-UHFFFAOYSA-N -1 0 340.270 3.337 20 30 EGEDRM [O-]/N=C(\Cl)c1ccccc1C(F)(F)O[C@@H]1CCNCC1(F)F ZINC001217781289 1373499671 /nfs/dbraw/zinc/49/96/71/1373499671.db2.gz HZAJRQSSYLMHMZ-UEXGJGTCSA-N -1 0 340.704 3.124 20 30 EGEDRM C#CCCC1(CCNC(=O)c2ccc([O-])c(C(F)(F)F)c2)N=N1 ZINC001188598489 1388339066 /nfs/dbraw/zinc/33/90/66/1388339066.db2.gz IJJHDFNTOXWANK-UHFFFAOYSA-N -1 0 325.290 3.106 20 30 EGEDRM C=C[C@]1(C)CC[C@@H](Oc2nc(C(F)(F)F)cc(=O)[n-]2)C(C)(C)O1 ZINC001225977097 1375183386 /nfs/dbraw/zinc/18/33/86/1375183386.db2.gz FSVQSMIMRGNGFV-QMTHXVAHSA-N -1 0 332.322 3.482 20 30 EGEDRM N#Cc1cc(F)c(=O)[n-]c1O[C@H]1Cc2cccc(Br)c2C1 ZINC001226009049 1375189474 /nfs/dbraw/zinc/18/94/74/1375189474.db2.gz QWNYAWQERZSDPB-JTQLQIEISA-N -1 0 349.159 3.107 20 30 EGEDRM N#Cc1cc(F)c(=O)[n-]c1O[C@H]1CC=C[C@@H]1COCc1ccccc1 ZINC001226014543 1375190731 /nfs/dbraw/zinc/19/07/31/1375190731.db2.gz XZNVNNNAKBHREW-PBHICJAKSA-N -1 0 340.354 3.338 20 30 EGEDRM CCC[C@@H](CC(=O)OCC)Oc1[n-]c(=O)cc(C(F)(F)F)c1C#N ZINC001226064804 1375198680 /nfs/dbraw/zinc/19/86/80/1375198680.db2.gz QIFRHYGBIWRNBZ-VIFPVBQESA-N -1 0 346.305 3.178 20 30 EGEDRM C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1Oc1[n-]c(=O)ccc1C#N ZINC001228899290 1375709346 /nfs/dbraw/zinc/70/93/46/1375709346.db2.gz UGJUBPOVJHKMFK-OCCSQVGLSA-N -1 0 347.415 3.073 20 30 EGEDRM C#C[C@@H](COc1cccc(C(F)(F)F)c1)Oc1[n-]c(=O)ccc1C#N ZINC001228901794 1375710660 /nfs/dbraw/zinc/71/06/60/1375710660.db2.gz NWLBBNKUXULIPZ-ZDUSSCGKSA-N -1 0 348.280 3.137 20 30 EGEDRM C=C[C@H](CCCCC)Oc1nc[n-]c(=O)c1I ZINC001228932337 1375720212 /nfs/dbraw/zinc/72/02/12/1375720212.db2.gz ZTIPCYBKFANXLY-SECBINFHSA-N -1 0 348.184 3.301 20 30 EGEDRM CC(=O)Nc1sc(C)c(C)c1C(=O)Nc1cc(C#N)c(F)cc1[O-] ZINC001188980510 1388425361 /nfs/dbraw/zinc/42/53/61/1388425361.db2.gz CMIDJMJEAKJBLC-UHFFFAOYSA-N -1 0 347.371 3.292 20 30 EGEDRM C#C[C@H](CCC)Oc1cc(O)cc([O-])c1C(=O)c1cccc(O)c1 ZINC001234163754 1376781191 /nfs/dbraw/zinc/78/11/91/1376781191.db2.gz XNBOUJWGEVBHCB-OAHLLOKOSA-N -1 0 326.348 3.215 20 30 EGEDRM COc1cc(C(=O)[O-])cc(-c2c(F)c(F)c(C#N)c(F)c2F)c1 ZINC001244177824 1377035943 /nfs/dbraw/zinc/03/59/43/1377035943.db2.gz NAZUZUQJCQSPTC-UHFFFAOYSA-N -1 0 325.217 3.488 20 30 EGEDRM CCOc1ccc(N(CCC#N)C(=O)c2cccc(F)c2[O-])cc1 ZINC001143799986 1378647827 /nfs/dbraw/zinc/64/78/27/1378647827.db2.gz VOAXIUMCGUDJDW-UHFFFAOYSA-N -1 0 328.343 3.490 20 30 EGEDRM Cc1cc(Cl)nc(Cl)c1C(=O)N(O)C(=N)c1ccccc1N ZINC001147900400 1379098753 /nfs/dbraw/zinc/09/87/53/1379098753.db2.gz HJHDBQAUJLVMSJ-UHFFFAOYSA-N -1 0 339.182 3.136 20 30 EGEDRM Cc1noc(NC(=O)c2cc3cnccc3nc2C(F)(F)F)c1C#N ZINC001150566821 1379569242 /nfs/dbraw/zinc/56/92/42/1379569242.db2.gz NCLHULVCIUKWEU-UHFFFAOYSA-N -1 0 347.256 3.069 20 30 EGEDRM C=CCOc1ccccc1[C@@H](C)NC(=O)c1ccc2[nH][nH]c(=O)c2c1 ZINC001154212125 1380228891 /nfs/dbraw/zinc/22/88/91/1380228891.db2.gz KDXBBQXHTUHYDW-GFCCVEGCSA-N -1 0 337.379 3.324 20 30 EGEDRM N#Cc1nc(NC(=O)c2ccc(Cl)cc2C(F)(F)F)[n-]c1C#N ZINC001300043920 1383640971 /nfs/dbraw/zinc/64/09/71/1383640971.db2.gz AUSULLUWSRRMFX-UHFFFAOYSA-N -1 0 339.664 3.078 20 30 EGEDRM N#Cc1cc(Nc2cccc(C(=O)N3CCCC3)c2)c([O-])cc1F ZINC001174172099 1385070672 /nfs/dbraw/zinc/07/06/72/1385070672.db2.gz NYIDKDCHFMNTCU-UHFFFAOYSA-N -1 0 325.343 3.383 20 30 EGEDRM Cc1cc(Cl)nc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c1C#N ZINC001174503532 1385114527 /nfs/dbraw/zinc/11/45/27/1385114527.db2.gz DXNOBHRDVBFRIM-UHFFFAOYSA-N -1 0 332.703 3.265 20 30 EGEDRM C[C@@H]1CCc2nc([N-]S(=O)(=O)c3ccc(CC#N)cc3)sc2C1 ZINC001319352787 1386075609 /nfs/dbraw/zinc/07/56/09/1386075609.db2.gz IVWYUQZEECRWSU-LLVKDONJSA-N -1 0 347.465 3.135 20 30 EGEDRM Cn1cc(Cn2[n-]c(C(C)(C)C)c(CCC#N)c2=O)c(C(F)F)n1 ZINC001320451074 1386613212 /nfs/dbraw/zinc/61/32/12/1386613212.db2.gz JTTHITCRURMUSX-UHFFFAOYSA-N -1 0 337.374 3.062 20 30 EGEDRM C=CC[C@@H](C(=O)OCC(=O)c1ccc(O)cc1O)c1ccccc1 ZINC001320455102 1386614107 /nfs/dbraw/zinc/61/41/07/1386614107.db2.gz GOMKMDIODVZEAI-OAHLLOKOSA-N -1 0 326.348 3.184 20 30 EGEDRM C=CC[C@H](NC(=O)C(C)(C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC001321657775 1386950413 /nfs/dbraw/zinc/95/04/13/1386950413.db2.gz JWWOLIZZURIROR-LBPRGKRZSA-N -1 0 329.318 3.129 20 30 EGEDRM C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cc(C#N)c(F)cc1[O-] ZINC001181780692 1387054496 /nfs/dbraw/zinc/05/44/96/1387054496.db2.gz JTOBUEYVALCWDA-VIFPVBQESA-N -1 0 334.734 3.462 20 30 EGEDRM C=CCC[C@H]1CCCN1C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC001337549259 1389384106 /nfs/dbraw/zinc/38/41/06/1389384106.db2.gz CEZNUIJOBZRGNY-AWEZNQCLSA-N -1 0 329.375 3.288 20 30 EGEDRM C=CCCO[N-]C(=O)COc1ccc(Cl)cc1Br ZINC001330967156 1389580121 /nfs/dbraw/zinc/58/01/21/1389580121.db2.gz YTSSFJFEDNJFHC-UHFFFAOYSA-N -1 0 334.597 3.105 20 30 EGEDRM C=CCC1(C(=O)[N-]S(=O)(=O)c2cc(C)ccc2Cl)CCC1 ZINC001331974441 1389930881 /nfs/dbraw/zinc/93/08/81/1389930881.db2.gz IJGSHMJEJWALDO-UHFFFAOYSA-N -1 0 327.833 3.200 20 30 EGEDRM C[C@H](C#N)CN(C)c1nnc(-c2cc(Cl)c([O-])c(Cl)c2)n1C ZINC001339571992 1390071827 /nfs/dbraw/zinc/07/18/27/1390071827.db2.gz CLGUYRYQLSZKSL-MRVPVSSYSA-N -1 0 340.214 3.090 20 30 EGEDRM C=CC[C@@H](NC(=O)C(C)(C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001332613009 1390140570 /nfs/dbraw/zinc/14/05/70/1390140570.db2.gz ARFTXKAXKPKPKN-GFCCVEGCSA-N -1 0 329.318 3.129 20 30 EGEDRM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](C(=O)[O-])C(C)C ZINC001339813051 1390157880 /nfs/dbraw/zinc/15/78/80/1390157880.db2.gz RYSKEUOAZYMGFY-KRWDZBQOSA-N -1 0 345.443 3.083 20 30 EGEDRM CCc1ccc(C([O-])=C(C#N)C(=O)NCc2ccccc2)cc1CC ZINC001341802496 1390530977 /nfs/dbraw/zinc/53/09/77/1390530977.db2.gz NDEUFRGJLJHNNJ-LJQANCHMSA-N -1 0 334.419 3.450 20 30 EGEDRM N#CC(=C([O-])c1c[nH]c(Br)c1)c1nc2ccccc2o1 ZINC001343448563 1390714724 /nfs/dbraw/zinc/71/47/24/1390714724.db2.gz VFLJQKUTJWDQLM-VIFPVBQESA-N -1 0 330.141 3.408 20 30 EGEDRM N#CC(=C([O-])c1ccn(CCC(F)(F)F)n1)c1nc2ccccc2o1 ZINC001343704201 1390732231 /nfs/dbraw/zinc/73/22/31/1390732231.db2.gz HTAOARXRCNEXIX-JTQLQIEISA-N -1 0 348.284 3.467 20 30 EGEDRM Cc1nc(C(C)C)oc1C([O-])=C(C#N)c1nc(N)c2ccccc2n1 ZINC001346088215 1390906388 /nfs/dbraw/zinc/90/63/88/1390906388.db2.gz SPRPPYKDWHSVSB-GFCCVEGCSA-N -1 0 335.367 3.122 20 30 EGEDRM C=CC[C@@H](NC(=O)c1c(C)cc(C)c(Br)c1C)C(=O)[O-] ZINC001348489780 1391227488 /nfs/dbraw/zinc/22/74/88/1391227488.db2.gz CNIXVGCHQMQQCQ-LLVKDONJSA-N -1 0 340.217 3.133 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)N(c2ccccc2)C(C)C)cc1C#N ZINC001351016840 1391582637 /nfs/dbraw/zinc/58/26/37/1391582637.db2.gz CFJQEOSOXPFFLQ-UHFFFAOYSA-N -1 0 327.409 3.436 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)Nc2ccc3ncsc3c2)cc1C#N ZINC001354423057 1392143251 /nfs/dbraw/zinc/14/32/51/1392143251.db2.gz SZNJXNSNEGSPNZ-UHFFFAOYSA-N -1 0 342.405 3.243 20 30 EGEDRM C=CCN(C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000823904292 1428699070 /nfs/dbraw/zinc/69/90/70/1428699070.db2.gz ZVBFQNKPJHSJJM-UHFFFAOYSA-N -1 0 339.786 3.353 20 30 EGEDRM C=CCCCC(=O)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1 ZINC000819734309 1429356669 /nfs/dbraw/zinc/35/66/69/1429356669.db2.gz LLFUGXAXPNLUJA-UHFFFAOYSA-N -1 0 337.383 3.349 20 30 EGEDRM Cc1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cc1[N+](=O)[O-] ZINC000822225094 1429389516 /nfs/dbraw/zinc/38/95/16/1429389516.db2.gz OABMJTDIRLUARQ-SNAWJCMRSA-N -1 0 341.352 3.041 20 30 EGEDRM O=C(C=Cc1cc(F)c(F)c(F)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826399961 1429469226 /nfs/dbraw/zinc/46/92/26/1429469226.db2.gz LJMUFHKZNTWNOX-RJRFIUFISA-N -1 0 348.259 3.319 20 30 EGEDRM CCOc1cccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)c1 ZINC000821426281 1429662593 /nfs/dbraw/zinc/66/25/93/1429662593.db2.gz BAKSKYRVUGFMLR-XNTDXEJSSA-N -1 0 346.390 3.478 20 30 EGEDRM O=C(C=Cc1ccccc1OC(F)F)c1ccc(-c2nn[n-]n2)s1 ZINC000826403025 1424958637 /nfs/dbraw/zinc/95/86/37/1424958637.db2.gz IAXZPDSMLINITJ-AATRIKPKSA-N -1 0 348.334 3.426 20 30 EGEDRM O=C1C(=Cc2ccc(-c3nn[n-]n3)s2)Cc2c1c(F)ccc2F ZINC000826475513 1425244061 /nfs/dbraw/zinc/24/40/61/1425244061.db2.gz IHWHAUKCHHLQIH-FNORWQNLSA-N -1 0 330.319 3.029 20 30 EGEDRM CC(=NNCc1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823953666 1425836896 /nfs/dbraw/zinc/83/68/96/1425836896.db2.gz KXGUBNNFIDPWSZ-UHFFFAOYSA-N -1 0 332.820 3.095 20 30 EGEDRM COc1ccc(C=C2CCc3sccc3C2=O)cc1-c1nn[n-]n1 ZINC000737081392 1426346130 /nfs/dbraw/zinc/34/61/30/1426346130.db2.gz CVYKIAUQKGSQGU-DHZHZOJOSA-N -1 0 338.392 3.149 20 30 EGEDRM O=C(C=CC1=Cc2ccccc2OC1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826399637 1426592853 /nfs/dbraw/zinc/59/28/53/1426592853.db2.gz AYVKSAOOPPPREY-YVMONPNESA-N -1 0 348.337 3.221 20 30 EGEDRM O=C1c2cc(Cl)ccc2OCC1=Cc1ccccc1-c1nn[n-]n1 ZINC000826475711 1427492278 /nfs/dbraw/zinc/49/22/78/1427492278.db2.gz OFQAZXOLZQKITR-YRNVUSSQSA-N -1 0 338.754 3.179 20 30 EGEDRM Cc1c(C(=O)C=Cc2ccc(C)c(C)c2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737329423 1427560164 /nfs/dbraw/zinc/56/01/64/1427560164.db2.gz LWSAOOPKJKUNQP-CMDGGOBGSA-N -1 0 347.422 3.436 20 30 EGEDRM C=CCCC[C@H](C)NC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000823894098 1427570768 /nfs/dbraw/zinc/57/07/68/1427570768.db2.gz HIYVWSOHOVIBSM-JTQLQIEISA-N -1 0 334.811 3.386 20 30 EGEDRM N#CCSCCCSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826382136 1427953607 /nfs/dbraw/zinc/95/36/07/1427953607.db2.gz PZRMOJZXHPJIRN-UHFFFAOYSA-N -1 0 325.850 3.259 20 30 EGEDRM COc1ccc(C=CC(=O)c2ccc(F)cc2C)cc1-c1nn[n-]n1 ZINC000737080863 1427999387 /nfs/dbraw/zinc/99/93/87/1427999387.db2.gz IBIKGVLEHCHYNT-XVNBXDOJSA-N -1 0 338.342 3.219 20 30 EGEDRM C=CC[N@H+](Cc1cccc(C#N)c1)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000735425811 1441595842 /nfs/dbraw/zinc/59/58/42/1441595842.db2.gz HUZALHMPYOXQAV-UHFFFAOYSA-N -1 0 348.385 3.066 20 30 EGEDRM CCOc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000825639452 1441631389 /nfs/dbraw/zinc/63/13/89/1441631389.db2.gz WJJINMFWSMYAMP-VMPITWQZSA-N -1 0 326.381 3.223 20 30 EGEDRM C#CCCCCCC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000823840742 1441731949 /nfs/dbraw/zinc/73/19/49/1441731949.db2.gz DCWCSDGVTULHDV-UHFFFAOYSA-N -1 0 339.443 3.187 20 30 EGEDRM COc1cccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)c1 ZINC000821863280 1442095441 /nfs/dbraw/zinc/09/54/41/1442095441.db2.gz JMMALSIJHFJSTF-NTEUORMPSA-N -1 0 332.363 3.088 20 30 EGEDRM CCCCCCCCCNC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821056630 1442155322 /nfs/dbraw/zinc/15/53/22/1442155322.db2.gz UXFCFJKFRLCWDI-UHFFFAOYSA-N -1 0 329.448 3.276 20 30 EGEDRM COc1ccc2c(c1)CCC(=Cc1ccccc1-c1nn[n-]n1)C2=O ZINC000826212322 1442186386 /nfs/dbraw/zinc/18/63/86/1442186386.db2.gz NEEBWOACWHWSDC-UVTDQMKNSA-N -1 0 332.363 3.088 20 30 EGEDRM C#CC[C@@H](Nc1c(F)cc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000823838992 1442194303 /nfs/dbraw/zinc/19/43/03/1442194303.db2.gz XWNHERKNPYDINO-OAHLLOKOSA-N -1 0 325.322 3.321 20 30 EGEDRM CC(C)(C#N)c1ccccc1COc1cccc(F)c1-c1nn[n-]n1 ZINC000824059012 1442205440 /nfs/dbraw/zinc/20/54/40/1442205440.db2.gz KXUMHDJEDRWTKW-UHFFFAOYSA-N -1 0 337.358 3.386 20 30 EGEDRM O=C1C(=Cc2cc(-c3nn[n-]n3)cs2)COc2ccc(Cl)cc21 ZINC000826475497 1442375021 /nfs/dbraw/zinc/37/50/21/1442375021.db2.gz HYBDWUVDDJTWGB-FPYGCLRLSA-N -1 0 344.783 3.240 20 30 EGEDRM O=C1c2ccc(F)cc2CCC1=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000823503395 1443212614 /nfs/dbraw/zinc/21/26/14/1443212614.db2.gz FQOCCAROYRVECG-GHXNOFRVSA-N -1 0 338.317 3.357 20 30 EGEDRM C=C[C@H](CC(=O)Oc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000823883676 1443677011 /nfs/dbraw/zinc/67/70/11/1443677011.db2.gz XHFMUOLDSMGUSS-GFCCVEGCSA-N -1 0 338.342 3.271 20 30 EGEDRM COc1cc(C#N)ccc1CNc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826176775 1444025437 /nfs/dbraw/zinc/02/54/37/1444025437.db2.gz CTINPANDAUOTTM-UHFFFAOYSA-N -1 0 340.774 3.012 20 30 EGEDRM C=CCN(CC1CCCCC1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000735416702 1446218589 /nfs/dbraw/zinc/21/85/89/1446218589.db2.gz PEFMJDUYVKFXKQ-UHFFFAOYSA-N -1 0 340.431 3.467 20 30 EGEDRM N#Cc1cc(NC(=O)CCCC2CCCCC2)ccc1-c1nn[n-]n1 ZINC000737706789 1446324905 /nfs/dbraw/zinc/32/49/05/1446324905.db2.gz ZQLNMPHAHGSSKG-UHFFFAOYSA-N -1 0 338.415 3.427 20 30 EGEDRM CC(=NNc1cccc(-c2nn[n-]n2)c1)c1cnc2ccsc2c1 ZINC000735451274 1446936778 /nfs/dbraw/zinc/93/67/78/1446936778.db2.gz WPFSTAKAAYMVFI-UHFFFAOYSA-N -1 0 335.396 3.313 20 30 EGEDRM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1ccccc1OC(F)F ZINC000822928953 1447143300 /nfs/dbraw/zinc/14/33/00/1447143300.db2.gz OINAQOWITDLUJB-FNORWQNLSA-N -1 0 348.334 3.426 20 30 EGEDRM C=CCOCCCC(=O)N[C@@](CC)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000262035403 939058483 /nfs/dbraw/zinc/05/84/83/939058483.db2.gz HFCKJMDWXCPNML-QGZVFWFLSA-N -1 0 339.819 3.129 20 30 EGEDRM C#CC[C@@H](NC(=O)N[C@@H](C(=O)[O-])C1CCCCC1)c1ccccc1 ZINC000780698343 939146731 /nfs/dbraw/zinc/14/67/31/939146731.db2.gz ZDCQVTYVCHIVGF-IAGOWNOFSA-N -1 0 328.412 3.084 20 30 EGEDRM C=C(C)CCNC(=O)N[C@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000909030416 939372684 /nfs/dbraw/zinc/37/26/84/939372684.db2.gz JKSSZQMDXQVREX-LBPRGKRZSA-N -1 0 330.306 3.097 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)c1ccc(-c2ccc(Cl)cc2)cc1F ZINC001602691621 971296438 /nfs/dbraw/zinc/29/64/38/971296438.db2.gz PODCYANHXPGCAS-UHFFFAOYSA-N -1 0 345.757 3.306 20 30 EGEDRM C=CCn1c(S[C@H](CC)C(=O)[O-])nnc1-c1ccc(OC)cc1 ZINC001602730820 971409415 /nfs/dbraw/zinc/40/94/15/971409415.db2.gz DMXJAZVFCRLDPD-CYBMUJFWSA-N -1 0 333.413 3.095 20 30 EGEDRM CC[C@]1(C(=O)[O-])CCCN(C(=O)Nc2ccccc2O[C@@H](C)C#N)C1 ZINC001589598518 949186996 /nfs/dbraw/zinc/18/69/96/949186996.db2.gz OMWZLFDXCWSORI-UGSOOPFHSA-N -1 0 345.399 3.086 20 30 EGEDRM O=C([O-])C1(C(=O)Nc2cccc(C#Cc3ccccn3)c2)CCCCC1 ZINC001594870947 954353458 /nfs/dbraw/zinc/35/34/58/954353458.db2.gz GQVDGVNOMOJBGW-UHFFFAOYSA-N -1 0 348.402 3.455 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 ZINC000819848191 955456404 /nfs/dbraw/zinc/45/64/04/955456404.db2.gz RAVQAMKSGZDNJJ-PXNSSMCTSA-N -1 0 347.374 3.285 20 30 EGEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCCc2cc(C(=O)[O-])ccc21 ZINC001589079816 955844050 /nfs/dbraw/zinc/84/40/50/955844050.db2.gz XNZJPXVOFBIGNH-CQSZACIVSA-N -1 0 348.402 3.414 20 30 EGEDRM CC(C)C[C@H](CNC(=O)Nc1ccccc1O[C@H](C)C#N)CC(=O)[O-] ZINC000853095182 955903101 /nfs/dbraw/zinc/90/31/01/955903101.db2.gz TVFLGMIFQIMTNI-KGLIPLIRSA-N -1 0 347.415 3.236 20 30 EGEDRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2ccc(C3CC3)c(C#N)c2)C1 ZINC000887393178 956257094 /nfs/dbraw/zinc/25/70/94/956257094.db2.gz RZDWLGMWOKQHAA-BXUZGUMPSA-N -1 0 327.384 3.010 20 30 EGEDRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2ccc(C3CC3)c(C#N)c2)C1 ZINC000887393180 956257222 /nfs/dbraw/zinc/25/72/22/956257222.db2.gz RZDWLGMWOKQHAA-RISCZKNCSA-N -1 0 327.384 3.010 20 30 EGEDRM N#Cc1ccc(C2(C(=O)N[C@H]3C[C@@H](C(=O)[O-])c4ccccc43)CC2)cc1 ZINC001594618358 956263318 /nfs/dbraw/zinc/26/33/18/956263318.db2.gz KQYZMGPSPFYQRN-MSOLQXFVSA-N -1 0 346.386 3.019 20 30 EGEDRM N#Cc1ccc(NC(=O)N[C@H](Cc2ccccc2)C(=O)[O-])c(C2CC2)c1 ZINC001594622687 956292817 /nfs/dbraw/zinc/29/28/17/956292817.db2.gz GFHOQYTXJWWFFX-GOSISDBHSA-N -1 0 349.390 3.253 20 30 EGEDRM N#Cc1ccc(C2(C(=O)N3CCC[C@H](CC(=O)[O-])C3)CCCC2)cc1 ZINC000901455190 956316954 /nfs/dbraw/zinc/31/69/54/956316954.db2.gz ZWLCNAYQSVRNJS-MRXNPFEDSA-N -1 0 340.423 3.083 20 30 EGEDRM C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)[C@](C)(C#N)CC(=O)[O-] ZINC001589175111 956490643 /nfs/dbraw/zinc/49/06/43/956490643.db2.gz ZYMUQDDNBFQBED-JKDFXYPNSA-N -1 0 336.819 3.295 20 30 EGEDRM Cc1cc(C(=O)[O-])cc(C(=O)[C@@H](C#N)c2cnc3ccccc3n2)c1 ZINC001594281550 957750726 /nfs/dbraw/zinc/75/07/26/957750726.db2.gz UPYGDLCRNXABTK-AWEZNQCLSA-N -1 0 331.331 3.127 20 30 EGEDRM Cc1cc(F)c(C#N)cc1NC(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001594310731 958014229 /nfs/dbraw/zinc/01/42/29/958014229.db2.gz KTHKTJXMVNSWJM-LBPRGKRZSA-N -1 0 333.363 3.115 20 30 EGEDRM C#CCC1(NC(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)CCCCC1 ZINC001588391818 958027240 /nfs/dbraw/zinc/02/72/40/958027240.db2.gz OGCLXJCYYAOBOQ-LJQANCHMSA-N -1 0 342.439 3.054 20 30 EGEDRM Cc1cc(N([C@@H](C)C(=O)[O-])C2CC2)n2c3ccccc3nc2c1C#N ZINC001594311607 958030438 /nfs/dbraw/zinc/03/04/38/958030438.db2.gz MDHKQHABGSSWTP-LBPRGKRZSA-N -1 0 334.379 3.110 20 30 EGEDRM C#CCCOc1ccc(C(=O)Nc2cccc(CCC(=O)[O-])c2)cc1 ZINC001588395526 958041802 /nfs/dbraw/zinc/04/18/02/958041802.db2.gz HRESQZJKFIOFTQ-UHFFFAOYSA-N -1 0 337.375 3.358 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)/C=C\c1ccc(-c2ccc(F)cc2)s1 ZINC001588399202 958071249 /nfs/dbraw/zinc/07/12/49/958071249.db2.gz HFPABXNLVPHVIW-NTMALXAHSA-N -1 0 343.379 3.114 20 30 EGEDRM C=C(CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21)c1ccccc1 ZINC001588445896 958378772 /nfs/dbraw/zinc/37/87/72/958378772.db2.gz VJLJLGABLVZPLS-MSOLQXFVSA-N -1 0 336.391 3.312 20 30 EGEDRM C=CC[C@H](OC(=O)[C@H](OC)C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001573328088 958494763 /nfs/dbraw/zinc/49/47/63/958494763.db2.gz AELSISIRCYXRKW-NWDGAFQWSA-N -1 0 333.167 3.253 20 30 EGEDRM C=C(C)c1cccc(NC(=O)C2=NN(c3ccccc3)[C@H](C(=O)[O-])C2)c1 ZINC001573329303 958508244 /nfs/dbraw/zinc/50/82/44/958508244.db2.gz CJRXUUXCXBUOPY-SFHVURJKSA-N -1 0 349.390 3.378 20 30 EGEDRM C=C1CCC(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)CC1 ZINC001573329528 958510288 /nfs/dbraw/zinc/51/02/88/958510288.db2.gz IACBXKYXWFHCNO-SJORKVTESA-N -1 0 328.412 3.345 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC001573365722 958623735 /nfs/dbraw/zinc/62/37/35/958623735.db2.gz WOADUXIMKOJGBA-HXUWFJFHSA-N -1 0 332.359 3.029 20 30 EGEDRM Cc1ccccc1C1(CNC(=O)[C@](C)(C#N)CC(=O)[O-])CCCCC1 ZINC001594417176 959015266 /nfs/dbraw/zinc/01/52/66/959015266.db2.gz XARQJRSBCQYJGQ-IBGZPJMESA-N -1 0 342.439 3.318 20 30 EGEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-] ZINC001573608687 959468756 /nfs/dbraw/zinc/46/87/56/959468756.db2.gz WLJUMTFLYYSNAV-XJKSGUPXSA-N -1 0 330.428 3.133 20 30 EGEDRM CCC(CC)(C(=O)[O-])C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001573784593 960730163 /nfs/dbraw/zinc/73/01/63/960730163.db2.gz FVFNKHIFTLAWRT-UHFFFAOYSA-N -1 0 328.290 3.407 20 30 EGEDRM C=CCCO[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])c1ccc(SC)cc1 ZINC000262083183 961443061 /nfs/dbraw/zinc/44/30/61/961443061.db2.gz DUTOJXRUIPCVOK-WFASDCNBSA-N -1 0 337.441 3.022 20 30 EGEDRM N#CCCCn1cc(C(=O)Nc2cc(C(=O)[O-])ccn2)c2ccccc21 ZINC001574480171 961658057 /nfs/dbraw/zinc/65/80/57/961658057.db2.gz CDXBPHXUCUCYDK-UHFFFAOYSA-N -1 0 348.362 3.291 20 30 EGEDRM N#Cc1ccccc1-c1ccccc1C(=O)N(CC(=O)[O-])CC1CC1 ZINC001574488539 961695723 /nfs/dbraw/zinc/69/57/23/961695723.db2.gz BNKTUJSUJRZRNB-UHFFFAOYSA-N -1 0 334.375 3.162 20 30 EGEDRM C=C[C@@H](CC(=O)N1CCc2ccc(C(=O)[O-])nc2C1)c1ccccc1 ZINC001344540468 962191880 /nfs/dbraw/zinc/19/18/80/962191880.db2.gz DKOIWVFVDWEFJA-AWEZNQCLSA-N -1 0 336.391 3.024 20 30 EGEDRM CC(C)Oc1ccc(NC(=O)C2(C(=O)[O-])CCCCC2)cc1C#N ZINC001588938025 962511328 /nfs/dbraw/zinc/51/13/28/962511328.db2.gz FSVBXJHZPDCGNK-UHFFFAOYSA-N -1 0 330.384 3.319 20 30 EGEDRM C#CCN(Cc1ccc(F)cc1)[C@H](C(=O)[O-])c1cccc(OC)c1 ZINC001573311562 962705262 /nfs/dbraw/zinc/70/52/62/962705262.db2.gz UDFAZUNNCLSODX-SFHVURJKSA-N -1 0 327.355 3.095 20 30 EGEDRM C#Cc1cncc(C(=O)O[C@@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)c1 ZINC001573314143 962743222 /nfs/dbraw/zinc/74/32/22/962743222.db2.gz YVZOOAOQGRKIQU-AWEZNQCLSA-N -1 0 349.264 3.222 20 30 EGEDRM C=C(C)C[C@H](NC(=O)CCCOc1ccc2c(c1)CCCC2)C(=O)[O-] ZINC001573320870 962752377 /nfs/dbraw/zinc/75/23/77/962752377.db2.gz FYBAZYUTTBNHTQ-SFHVURJKSA-N -1 0 345.439 3.260 20 30 EGEDRM C=CC[C@@H](C)N1CCOc2c(Br)cc(C(=O)[O-])cc2C1 ZINC001573351776 962981504 /nfs/dbraw/zinc/98/15/04/962981504.db2.gz YCDAIWUDZAJOFT-SNVBAGLBSA-N -1 0 340.217 3.306 20 30 EGEDRM C=CCCC[C@H](NC(=O)CCSc1ccccc1F)C(=O)[O-] ZINC001573357317 963014237 /nfs/dbraw/zinc/01/42/37/963014237.db2.gz LDEAHBYMPTVBLY-ZDUSSCGKSA-N -1 0 325.405 3.234 20 30 EGEDRM C=CCC[C@@H](NC(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21)c1ccccc1 ZINC001573357563 963017319 /nfs/dbraw/zinc/01/73/19/963017319.db2.gz OTFRXUIKLNLCIF-ZKXLYKBJSA-N -1 0 342.439 3.492 20 30 EGEDRM C=CCCn1cc(CNc2cccc3cc(C(=O)[O-])sc32)nn1 ZINC001573360051 963030817 /nfs/dbraw/zinc/03/08/17/963030817.db2.gz FGGUQZJBTYKWMU-UHFFFAOYSA-N -1 0 328.397 3.379 20 30 EGEDRM C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC001573369036 963090667 /nfs/dbraw/zinc/09/06/67/963090667.db2.gz VVCCQAIEAFZAEO-UHFFFAOYSA-N -1 0 334.375 3.393 20 30 EGEDRM CC(C)[N@H+](CCC(=O)[O-])Cc1ccc(Br)cc1C#N ZINC000311868612 963518314 /nfs/dbraw/zinc/51/83/14/963518314.db2.gz SOAIVUUQGCCDMW-UHFFFAOYSA-N -1 0 325.206 3.006 20 30 EGEDRM Cc1cc(C(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)cc(C)c1C#N ZINC001605122503 972783915 /nfs/dbraw/zinc/78/39/15/972783915.db2.gz KVHUUWWLBBQUFK-WMZOPIPTSA-N -1 0 334.375 3.218 20 30 EGEDRM Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC001605397289 973373505 /nfs/dbraw/zinc/37/35/05/973373505.db2.gz DTVJMBHJXPFAFV-BDJLRTHQSA-N -1 0 337.445 3.099 20 30 EGEDRM N#Cc1cccc(NC(=O)[C@@]2(C(=O)[O-])CC=CCC2)c1Br ZINC001605617468 973933205 /nfs/dbraw/zinc/93/32/05/973933205.db2.gz GNKHHFGHYUUUDZ-OAHLLOKOSA-N -1 0 349.184 3.070 20 30 EGEDRM O=C([O-])COc1ccc(/C=C2\Oc3cc(F)cc(F)c3C2=O)cc1 ZINC000588450223 974965303 /nfs/dbraw/zinc/96/53/03/974965303.db2.gz NPAGVDBUKRYHSH-RZNTYIFUSA-N -1 0 332.258 3.044 20 30 EGEDRM CC(C)OCc1ccccc1CNc1ccc(C(=O)[O-])nc1C#N ZINC001591735738 975727067 /nfs/dbraw/zinc/72/70/67/975727067.db2.gz XXCJYLCQUSVFTI-UHFFFAOYSA-N -1 0 325.368 3.189 20 30 EGEDRM CC(C)Oc1ccc(NC(=O)c2ccc(CC#N)cc2)c(C(=O)[O-])c1 ZINC001591787818 975965167 /nfs/dbraw/zinc/96/51/67/975965167.db2.gz CTYLGSQTQUWNLY-UHFFFAOYSA-N -1 0 338.363 3.490 20 30 EGEDRM C[C@@H](CC#N)NC(=O)Nc1ccc(Cl)cc1SCCC(=O)[O-] ZINC001592221490 977399304 /nfs/dbraw/zinc/39/93/04/977399304.db2.gz IEZRQVTWJGXHLX-VIFPVBQESA-N -1 0 341.820 3.330 20 30 EGEDRM C[C@H](CC(=O)[O-])CC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC001592394499 977944944 /nfs/dbraw/zinc/94/49/44/977944944.db2.gz IUCHSOLUNUCUOW-LBPRGKRZSA-N -1 0 339.351 3.185 20 30 EGEDRM O=C([O-])c1cccc(NN=Cc2cc(O)ccc2Br)c1 ZINC000769793993 978742953 /nfs/dbraw/zinc/74/29/53/978742953.db2.gz DPWHQGQBBBHLSJ-UHFFFAOYSA-N -1 0 335.157 3.299 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1N=NC(C)c1ccc2[nH]c(=O)oc2c1 ZINC000794924474 978829789 /nfs/dbraw/zinc/82/97/89/978829789.db2.gz YSSKTFZWBGNUBL-UHFFFAOYSA-N -1 0 341.323 3.076 20 30 EGEDRM C#CCOc1cc(F)ccc1NC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000811819052 978863115 /nfs/dbraw/zinc/86/31/15/978863115.db2.gz DZIDVIKUTIHKBA-UHFFFAOYSA-N -1 0 347.729 3.442 20 30 EGEDRM CCOC(=O)c1ccc(N=NC2CC[C@@H](CC(=O)[O-])[C@@H]2C)cc1C ZINC000814935285 978899438 /nfs/dbraw/zinc/89/94/38/978899438.db2.gz OEMGFIGCSJPELZ-STQMWFEESA-N -1 0 332.400 3.460 20 30 EGEDRM C#CCCCCCC(=O)Nc1nc2nc(C)cc(C(=O)[O-])c2s1 ZINC000833361646 979170636 /nfs/dbraw/zinc/17/06/36/979170636.db2.gz FVWIYXDNADDXCP-UHFFFAOYSA-N -1 0 331.397 3.220 20 30 EGEDRM COc1cc(C)c(C(C)=NNc2ccc(CC(=O)[O-])cc2)cc1OC ZINC000848414735 979466873 /nfs/dbraw/zinc/46/68/73/979466873.db2.gz BSZUPCJFASGHEZ-UHFFFAOYSA-N -1 0 342.395 3.475 20 30 EGEDRM C=C(C)C[C@H](NC(=O)/C=C/c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000864188145 979836122 /nfs/dbraw/zinc/83/61/22/979836122.db2.gz QRIFAUWWRBKTBW-GWJCSSMESA-N -1 0 327.302 3.254 20 30 EGEDRM C=CCC1(C(=O)N2CCc3c(C(=O)[O-])ccc(OC)c3C2)CCC1 ZINC000872757731 980144232 /nfs/dbraw/zinc/14/42/32/980144232.db2.gz GZFAEVZZNBRFFZ-UHFFFAOYSA-N -1 0 329.396 3.025 20 30 EGEDRM CC[C@](NC(=O)c1sccc1C#N)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595276631 980301564 /nfs/dbraw/zinc/30/15/64/980301564.db2.gz JTXDTEQXCLEKHQ-MRXNPFEDSA-N -1 0 348.811 3.393 20 30 EGEDRM C=CCOc1ccccc1CNC(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC000908797952 981364394 /nfs/dbraw/zinc/36/43/94/981364394.db2.gz HYVAHASCKUANMT-UHFFFAOYSA-N -1 0 343.423 3.293 20 30 EGEDRM C=C(C)[C@@H](CC(=O)N(Cc1ccccc1)C[C@H](C)C(=O)[O-])OCC ZINC000908841794 981375158 /nfs/dbraw/zinc/37/51/58/981375158.db2.gz OBIVYOIGPDFYHZ-DOTOQJQBSA-N -1 0 333.428 3.107 20 30 EGEDRM C=C(C)[C@@H](CC(=O)N[C@](C)(CC(=O)[O-])c1cccc(F)c1)OCC ZINC000909682406 981570163 /nfs/dbraw/zinc/57/01/63/981570163.db2.gz ONQIOPFUUZLWMC-CRAIPNDOSA-N -1 0 337.391 3.003 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1cnn(CC(C)C)c1C(F)F)C(=O)[O-] ZINC000910911778 982160876 /nfs/dbraw/zinc/16/08/76/982160876.db2.gz ICRAJQMPNBGBFA-LBPRGKRZSA-N -1 0 343.374 3.016 20 30 EGEDRM CCCCCCCCCCC(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001595705237 982283565 /nfs/dbraw/zinc/28/35/65/982283565.db2.gz SHLZDQFWSDLDOB-QFBILLFUSA-N -1 0 339.476 3.467 20 30 EGEDRM CCCOc1ccc(C=NOCc2cccc(C(=O)[O-])n2)cc1OC ZINC001595954774 983140737 /nfs/dbraw/zinc/14/07/37/983140737.db2.gz VQBIAZUEBAYOBK-UHFFFAOYSA-N -1 0 344.367 3.128 20 30 EGEDRM C#C[C@@H](NC(=O)Cc1ccc(C(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC001588372604 983332254 /nfs/dbraw/zinc/33/22/54/983332254.db2.gz OOJXPXVSDWZFAU-MRXNPFEDSA-N -1 0 327.767 3.071 20 30 EGEDRM C#C[C@H](NC(=O)c1c(C)[nH]c(C(=O)[O-])c1C)c1ccc(Cl)cc1 ZINC001588373277 983337336 /nfs/dbraw/zinc/33/73/36/983337336.db2.gz CKUFHPJKSVMZPV-ZDUSSCGKSA-N -1 0 330.771 3.087 20 30 EGEDRM C#C[C@H]1CCCCN1C(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC001588383038 983376649 /nfs/dbraw/zinc/37/66/49/983376649.db2.gz XDSDAMDNXTVDMQ-AWEZNQCLSA-N -1 0 332.425 3.273 20 30 EGEDRM C#CCC1(NC(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)CCC1 ZINC001588427939 983458779 /nfs/dbraw/zinc/45/87/79/983458779.db2.gz RZVAHAGBVVOXLD-UHFFFAOYSA-N -1 0 330.384 3.240 20 30 EGEDRM C#CCCOc1ccc(C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])cc1 ZINC001588455148 983478610 /nfs/dbraw/zinc/47/86/10/983478610.db2.gz DXFWHOMJIXTDNY-GOSISDBHSA-N -1 0 343.423 3.242 20 30 EGEDRM C#CCCOc1ccc(C(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC001588455221 983479147 /nfs/dbraw/zinc/47/91/47/983479147.db2.gz HRVVZYPSVGTXSS-INIZCTEOSA-N -1 0 343.423 3.052 20 30 EGEDRM C#CCOc1ccc(C(=O)Nc2ccc(SC)c(C(=O)[O-])c2)cc1 ZINC001588497715 983540699 /nfs/dbraw/zinc/54/06/99/983540699.db2.gz XBAPLLUJFFHVHR-UHFFFAOYSA-N -1 0 341.388 3.371 20 30 EGEDRM C#CCOc1ccccc1-c1noc(Cc2cccc(C(=O)[O-])c2)n1 ZINC001588504301 983547067 /nfs/dbraw/zinc/54/70/67/983547067.db2.gz PYWFBNRQHQKMIJ-UHFFFAOYSA-N -1 0 334.331 3.038 20 30 EGEDRM C#Cc1cccc(CNC(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)c1 ZINC001588522259 983570216 /nfs/dbraw/zinc/57/02/16/983570216.db2.gz LTNPXIZAXKQZMC-UHFFFAOYSA-N -1 0 346.745 3.480 20 30 EGEDRM C=C(C)C[C@H](NC(=O)/C=C/c1ccccc1O[C@@H](C)CC)C(=O)[O-] ZINC001588540389 983603458 /nfs/dbraw/zinc/60/34/58/983603458.db2.gz FJKYNCVZAWFJDK-BJCHZKIZSA-N -1 0 331.412 3.413 20 30 EGEDRM C=C(C)C[C@H](NC(=O)c1ccc(-n2cnc3ccccc32)cc1)C(=O)[O-] ZINC001588546295 983614686 /nfs/dbraw/zinc/61/46/86/983614686.db2.gz FITPWWRODYVEMO-KRWDZBQOSA-N -1 0 349.390 3.175 20 30 EGEDRM C=C(C)CN(CC(=O)Nc1cccc(C(=O)[O-])c1)Cc1ccccc1 ZINC001588561612 983642307 /nfs/dbraw/zinc/64/23/07/983642307.db2.gz QFDPWNBUHWEYAH-UHFFFAOYSA-N -1 0 338.407 3.402 20 30 EGEDRM C=C(C)Cc1cccc(C(=O)[O-])c1OCC(=O)NCc1cccs1 ZINC001588577393 983656278 /nfs/dbraw/zinc/65/62/78/983656278.db2.gz UZWTYWNGFKQTII-UHFFFAOYSA-N -1 0 345.420 3.260 20 30 EGEDRM C=C(C)Cn1c(CC(C)C)nnc1N1CCC(CCC(=O)[O-])CC1 ZINC001588598348 983683402 /nfs/dbraw/zinc/68/34/02/983683402.db2.gz ZVOAUTIUYNGLOI-UHFFFAOYSA-N -1 0 334.464 3.134 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N(CCC)[C@@H](C)CC(=O)Nc1ccccc1 ZINC001588612648 983703772 /nfs/dbraw/zinc/70/37/72/983703772.db2.gz VAPUKIUCETYELW-HNNXBMFYSA-N -1 0 346.427 3.063 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)NC(C)(C)c1cccc(C(F)(F)F)c1 ZINC001588618999 983714248 /nfs/dbraw/zinc/71/42/48/983714248.db2.gz HOQFOOHELIQNLC-UHFFFAOYSA-N -1 0 329.318 3.478 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N1CCc2cc(-c3csc(C)n3)ccc21 ZINC001588619147 983715012 /nfs/dbraw/zinc/71/50/12/983715012.db2.gz LYEROKGUJUPHFP-UHFFFAOYSA-N -1 0 342.420 3.429 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)NCc1ccc(C)cc1OCCC(C)C ZINC001588629969 983740313 /nfs/dbraw/zinc/74/03/13/983740313.db2.gz PJUIUBMRNVVHHP-UHFFFAOYSA-N -1 0 333.428 3.457 20 30 EGEDRM C=C1CCN(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)CC1 ZINC001588649820 983770588 /nfs/dbraw/zinc/77/05/88/983770588.db2.gz GBBNBWCZUXTPHO-UHFFFAOYSA-N -1 0 329.400 3.169 20 30 EGEDRM C=C=CCNC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC001588651564 983775236 /nfs/dbraw/zinc/77/52/36/983775236.db2.gz QHQRAKHUBWVRFU-UHFFFAOYSA-N -1 0 332.359 3.247 20 30 EGEDRM C=CC(C)(C)CNC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC001588676929 983832196 /nfs/dbraw/zinc/83/21/96/983832196.db2.gz KVLIPJAOUCPQRW-UHFFFAOYSA-N -1 0 331.416 3.319 20 30 EGEDRM C=C[C@](C)(CC)C(=O)OCC(=O)c1c[nH]c2ccc(C(=O)[O-])cc21 ZINC001588682669 983844625 /nfs/dbraw/zinc/84/46/25/983844625.db2.gz PJEIXGLOJZNNIU-GOSISDBHSA-N -1 0 329.352 3.194 20 30 EGEDRM C=C[C@](C)(CC)C(=O)Nc1ccc(OCC(=O)[O-])c2ncccc12 ZINC001588683335 983848013 /nfs/dbraw/zinc/84/80/13/983848013.db2.gz XGKWWBASUVKSTL-GOSISDBHSA-N -1 0 328.368 3.239 20 30 EGEDRM C=C[C@@H](CC)CC(=O)Nc1ccc(OCC(=O)[O-])c2ncccc12 ZINC001588690611 983875200 /nfs/dbraw/zinc/87/52/00/983875200.db2.gz DZGMDTANKFFZQS-LBPRGKRZSA-N -1 0 328.368 3.239 20 30 EGEDRM C=C[C@H](CC)CC(=O)N1CCN(c2ccc(C(=O)[O-])cc2)C[C@H]1C ZINC001588690822 983877192 /nfs/dbraw/zinc/87/71/92/983877192.db2.gz MCCNCLFEQZGZJH-HUUCEWRRSA-N -1 0 330.428 3.024 20 30 EGEDRM C=CC1(CC(=O)N2C[C@@H](C(=O)[O-])Oc3ccccc32)CCCCC1 ZINC001588714821 983953319 /nfs/dbraw/zinc/95/33/19/983953319.db2.gz OIFBRFSRPONLML-INIZCTEOSA-N -1 0 329.396 3.392 20 30 EGEDRM C=C[C@H](SCCCCCCN1C(=O)c2ccccc2C1=O)C(=O)[O-] ZINC001588715011 983954000 /nfs/dbraw/zinc/95/40/00/983954000.db2.gz RGFZRCYESINYRQ-HNNXBMFYSA-N -1 0 347.436 3.215 20 30 EGEDRM C=CC[C@@H](NC(=O)NCc1ccc(C(=O)[O-])cc1F)c1ccncc1 ZINC001588743527 984037832 /nfs/dbraw/zinc/03/78/32/984037832.db2.gz ZIOURLHPOAXURE-MRXNPFEDSA-N -1 0 343.358 3.036 20 30 EGEDRM C=CCC1(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)CCCC1 ZINC001588769080 984132367 /nfs/dbraw/zinc/13/23/67/984132367.db2.gz LHXAYJZSNQHIRG-UHFFFAOYSA-N -1 0 337.441 3.169 20 30 EGEDRM C=CC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC001588770641 984135108 /nfs/dbraw/zinc/13/51/08/984135108.db2.gz BSVMGFCGRVICHA-BBRMVZONSA-N -1 0 337.441 3.106 20 30 EGEDRM C=CC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(C)cc1C(=O)[O-] ZINC001588771193 984138690 /nfs/dbraw/zinc/13/86/90/984138690.db2.gz QHDZPVANHFVRLI-ZFWWWQNUSA-N -1 0 337.441 3.106 20 30 EGEDRM C=CCC[C@@H](C(=O)N1CCSC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC001588777254 984155968 /nfs/dbraw/zinc/15/59/68/984155968.db2.gz YFCJIHAMBRIIEI-JKSUJKDBSA-N -1 0 333.453 3.013 20 30 EGEDRM C=CCC[C@@H]1CCCN1C(=O)Nc1ccc(C(=O)OC)c(C(=O)[O-])c1 ZINC001588782179 984170990 /nfs/dbraw/zinc/17/09/90/984170990.db2.gz RPENQIJISIMJBL-CYBMUJFWSA-N -1 0 346.383 3.134 20 30 EGEDRM C=CCC[C@H]1CCCN1S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC001588782183 984171078 /nfs/dbraw/zinc/17/10/78/984171078.db2.gz RQSWZQBDWQOSDF-ZDUSSCGKSA-N -1 0 343.832 3.158 20 30 EGEDRM C=CCC[C@H]1CCCN1C(=O)Nc1cc(COC)cc(C(=O)[O-])c1 ZINC001588782749 984174829 /nfs/dbraw/zinc/17/48/29/984174829.db2.gz ZTWUUOJTOKDLDI-INIZCTEOSA-N -1 0 332.400 3.494 20 30 EGEDRM C=CCCC[C@@H](C)NC(=O)N1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC001588783061 984176873 /nfs/dbraw/zinc/17/68/73/984176873.db2.gz WAOVOEQCUKWZIA-GFCCVEGCSA-N -1 0 334.391 3.336 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1cc2c(nc(C)cc2C)s1)C(=O)[O-] ZINC001588793089 984215711 /nfs/dbraw/zinc/21/57/11/984215711.db2.gz SDQQEQXLGYCULA-CYBMUJFWSA-N -1 0 332.425 3.452 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1ccc(F)cc1Br)C(=O)[O-] ZINC001588793448 984218785 /nfs/dbraw/zinc/21/87/85/984218785.db2.gz QOFSELCQCVRDKH-GFCCVEGCSA-N -1 0 344.180 3.128 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1c(Cl)c2ccccc2n1C)C(=O)[O-] ZINC001588794441 984226849 /nfs/dbraw/zinc/22/68/49/984226849.db2.gz UMDRQZZMDJXDDJ-LBPRGKRZSA-N -1 0 334.803 3.371 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1cnn(-c2ccccc2C)c1C)C(=O)[O-] ZINC001588798274 984234913 /nfs/dbraw/zinc/23/49/13/984234913.db2.gz ZGTDKMWGOUUYQG-MRXNPFEDSA-N -1 0 341.411 3.028 20 30 EGEDRM C=CCCO[C@@H](C)C(=O)Nc1cc(-c2ccncc2)sc1C(=O)[O-] ZINC001588808953 984264216 /nfs/dbraw/zinc/26/42/16/984264216.db2.gz RFRFMAAAPVMJQG-NSHDSACASA-N -1 0 346.408 3.428 20 30 EGEDRM C=CCCOCC(=O)OCc1c(C(=O)[O-])sc2cccc(F)c21 ZINC001588810425 984266840 /nfs/dbraw/zinc/26/68/40/984266840.db2.gz PRUBKWLTGULFIU-UHFFFAOYSA-N -1 0 338.356 3.375 20 30 EGEDRM C=CCN(Cc1ccccc1F)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001588831866 984317792 /nfs/dbraw/zinc/31/77/92/984317792.db2.gz URMGYJCPJFKOTA-UHFFFAOYSA-N -1 0 329.331 3.139 20 30 EGEDRM C=CCN(Cc1ccccc1)C(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001588832776 984326048 /nfs/dbraw/zinc/32/60/48/984326048.db2.gz PLDCGJPNUJMCDL-LBPRGKRZSA-N -1 0 345.424 3.300 20 30 EGEDRM C=CCn1c(Cc2ccccc2)nnc1SCC1(CC(=O)[O-])CC1 ZINC001588904139 984527227 /nfs/dbraw/zinc/52/72/27/984527227.db2.gz ILLYSLLUERFWJU-UHFFFAOYSA-N -1 0 343.452 3.402 20 30 EGEDRM C=CCn1c2ccccc2nc1S[C@@H](C)C(=O)C(C)(C)C(=O)[O-] ZINC001588904932 984533600 /nfs/dbraw/zinc/53/36/00/984533600.db2.gz JCERGEULFBMCKS-NSHDSACASA-N -1 0 332.425 3.383 20 30 EGEDRM C=CCn1c(S[C@@H](CC)C(=O)[O-])nc2sc(C)c(C)c2c1=O ZINC001588904980 984534467 /nfs/dbraw/zinc/53/44/67/984534467.db2.gz KUSLPXOQTOSNJP-JTQLQIEISA-N -1 0 338.454 3.216 20 30 EGEDRM C=CCn1c(SCC2(C(=O)[O-])CC2)nnc1-c1ccc(C)cc1 ZINC001588907182 984538330 /nfs/dbraw/zinc/53/83/30/984538330.db2.gz GEKPDFOJXFHRSQ-UHFFFAOYSA-N -1 0 329.425 3.396 20 30 EGEDRM C=CCn1c(SC/C(C)=C/C(=O)[O-])nnc1-c1ccc(OC)cc1 ZINC001588907291 984538822 /nfs/dbraw/zinc/53/88/22/984538822.db2.gz HNQFBUPUZKCGMH-ZRDIBKRKSA-N -1 0 345.424 3.263 20 30 EGEDRM CC#CCCCC(=O)N[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001588925459 984587067 /nfs/dbraw/zinc/58/70/67/984587067.db2.gz QRMPGHSGCORHJU-AWEZNQCLSA-N -1 0 327.302 3.298 20 30 EGEDRM CC(=O)Nc1ccc(C(C)=NOCc2ccc(C(=O)[O-])cc2F)cc1 ZINC001589187078 985576813 /nfs/dbraw/zinc/57/68/13/985576813.db2.gz AIFQDOHXAMRQAR-UHFFFAOYSA-N -1 0 344.342 3.423 20 30 EGEDRM Cc1[nH]c(C(=O)Nc2cc(C#N)ccc2OC(C)C)c(C)c1C(=O)[O-] ZINC001599954034 985655936 /nfs/dbraw/zinc/65/59/36/985655936.db2.gz SNXWJCRRPDAPDB-UHFFFAOYSA-N -1 0 341.367 3.241 20 30 EGEDRM Cc1c(C#N)cccc1C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001599973473 986049283 /nfs/dbraw/zinc/04/92/83/986049283.db2.gz VECLAYHEVYSUSH-KRWDZBQOSA-N -1 0 336.391 3.449 20 30 EGEDRM C[C@H](C#N)Oc1ccccc1NC(=O)c1ccccc1CCC(=O)[O-] ZINC001589334100 986198301 /nfs/dbraw/zinc/19/83/01/986198301.db2.gz AFUNFBQXROXYRF-CYBMUJFWSA-N -1 0 338.363 3.247 20 30 EGEDRM Cc1c(C(=O)[O-])c2cc(OC(=O)[C@@H](C)CC#N)ccc2n1C1CC1 ZINC001599985005 986217472 /nfs/dbraw/zinc/21/74/72/986217472.db2.gz GVWZPPZAJAPDCF-JTQLQIEISA-N -1 0 326.352 3.438 20 30 EGEDRM CCOc1cc(C#N)cc(Cl)c1OC(=O)c1oc(C(=O)[O-])cc1C ZINC001596993631 986285630 /nfs/dbraw/zinc/28/56/30/986285630.db2.gz OFVBYLGLGDMJSB-UHFFFAOYSA-N -1 0 349.726 3.429 20 30 EGEDRM C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1Cc1csc(C#N)c1 ZINC001594570767 986397647 /nfs/dbraw/zinc/39/76/47/986397647.db2.gz YRUHIJYDSKQVNA-ZDUSSCGKSA-N -1 0 341.436 3.029 20 30 EGEDRM CC(C)(C#N)c1ccc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1 ZINC001589558081 987308469 /nfs/dbraw/zinc/30/84/69/987308469.db2.gz LNNLJZRCSQDQQN-AWEZNQCLSA-N -1 0 328.412 3.205 20 30 EGEDRM CC(C)(C(=O)N1CCc2cc(C(=O)[O-])ccc21)c1ccc(C#N)cc1 ZINC001589563908 987326229 /nfs/dbraw/zinc/32/62/29/987326229.db2.gz PDGZHEPPBWRGLV-UHFFFAOYSA-N -1 0 334.375 3.123 20 30 EGEDRM CC(C)(C)C#CC(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC001589684789 987723025 /nfs/dbraw/zinc/72/30/25/987723025.db2.gz KUDDAACCDLTJJS-LSDHHAIUSA-N -1 0 333.815 3.016 20 30 EGEDRM CC(C)(C)[C@H]1CCC[C@@H](NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)CC1 ZINC001589728389 987931895 /nfs/dbraw/zinc/93/18/95/987931895.db2.gz KEPVPQAGVVUDRM-LSDHHAIUSA-N -1 0 349.475 3.381 20 30 EGEDRM CC(C)(C)Cc1ccccc1C(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001589788789 988171845 /nfs/dbraw/zinc/17/18/45/988171845.db2.gz FPMNKJCNSKDPHA-UHFFFAOYSA-N -1 0 328.412 3.106 20 30 EGEDRM CCc1ccc2c(c1)C(=NNc1ccc(C(=O)[O-])c(Cl)c1)C(=O)N2 ZINC001597569212 988332645 /nfs/dbraw/zinc/33/26/45/988332645.db2.gz MZFNKJJJEITUOY-UHFFFAOYSA-N -1 0 343.770 3.369 20 30 EGEDRM CC(C)(C)c1cc(NC(=O)c2ccoc2CC(=O)[O-])c(C#N)s1 ZINC001590462280 990034091 /nfs/dbraw/zinc/03/40/91/990034091.db2.gz SJQWYUUCRDYUQP-UHFFFAOYSA-N -1 0 332.381 3.390 20 30 EGEDRM CC(C)[C@@H](C(=O)N1CCC(C#N)(C(=O)[O-])CC1)c1cccc(Cl)c1 ZINC001590952481 991013749 /nfs/dbraw/zinc/01/37/49/991013749.db2.gz GPOWTIPHEUBAJR-OAHLLOKOSA-N -1 0 348.830 3.297 20 30 EGEDRM C[C@@H](Sc1ccccc1C(=O)N1CCC[C@](C)(C#N)C1)C(=O)[O-] ZINC001593668335 996062707 /nfs/dbraw/zinc/06/27/07/996062707.db2.gz QNMOUJWVSPHAFP-SJKOYZFVSA-N -1 0 332.425 3.018 20 30 EGEDRM C[C@H](Sc1ccccc1C(=O)NCc1ccc(C#N)cc1)C(=O)[O-] ZINC001593672923 996080558 /nfs/dbraw/zinc/08/05/58/996080558.db2.gz MHDOWXKGRGXSBT-LBPRGKRZSA-N -1 0 340.404 3.053 20 30 EGEDRM C[C@@]1(C#N)CCCN([C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)C1 ZINC001593743181 996366197 /nfs/dbraw/zinc/36/61/97/996366197.db2.gz PYPXRANKZCZQMC-ZFWWWQNUSA-N -1 0 326.318 3.457 20 30 EGEDRM COc1cc(C)c(/C=C\C(=O)c2ccc(OCC(=O)[O-])cc2)c(C)n1 ZINC001599390820 997032129 /nfs/dbraw/zinc/03/21/29/997032129.db2.gz PXOJFNAWZCEZLM-HJWRWDBZSA-N -1 0 341.363 3.067 20 30 EGEDRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)/C=C\c1ccccc1C#N ZINC001599396216 997130505 /nfs/dbraw/zinc/13/05/05/997130505.db2.gz LHJCDDJJVLXWSY-DEFDFUCDSA-N -1 0 349.342 3.283 20 30 EGEDRM COc1cc(C#N)ccc1NC(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC001599348439 998051178 /nfs/dbraw/zinc/05/11/78/998051178.db2.gz XHZYUETWUCTOKP-NSHDSACASA-N -1 0 339.351 3.399 20 30 EGEDRM COc1cc(C(=O)Nc2ccc(Cl)cc2C(=O)[O-])ccc1C#N ZINC001599355990 998179981 /nfs/dbraw/zinc/17/99/81/998179981.db2.gz SBDHCUQXBFWQSP-UHFFFAOYSA-N -1 0 330.727 3.171 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2ccc(OCCC(C)C)cc2)C(=O)O1 ZINC000003543699 210050031 /nfs/dbraw/zinc/05/00/31/210050031.db2.gz LFRBXEMUIZPQHJ-AIADIJKESA-N -1 0 342.391 3.340 20 30 EGEDRM Cc1ccncc1C(=O)[N-]S(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000095406417 218342282 /nfs/dbraw/zinc/34/22/82/218342282.db2.gz XKSQHQOEYBBVOG-UHFFFAOYSA-N -1 0 332.425 3.317 20 30 EGEDRM CC(C)(C)n1cc(C#N)c(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])n1 ZINC000267521483 251124402 /nfs/dbraw/zinc/12/44/02/251124402.db2.gz MEUUYLPHVWORJL-UHFFFAOYSA-N -1 0 347.762 3.324 20 30 EGEDRM Cc1ccc(C#N)cc1NC(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000356319866 141340841 /nfs/dbraw/zinc/34/08/41/141340841.db2.gz KRXQREFKSRYXDR-UHFFFAOYSA-N -1 0 336.326 3.149 20 30 EGEDRM COc1cc(C)ccc1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000186961334 144148376 /nfs/dbraw/zinc/14/83/76/144148376.db2.gz GYJDZOITHRHWHF-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM Cc1csc(NC(=O)C[C@](C)(C(=O)[O-])c2ccccc2)c1C#N ZINC000349010925 156316334 /nfs/dbraw/zinc/31/63/34/156316334.db2.gz UFVOWWMPCBZVCB-KRWDZBQOSA-N -1 0 328.393 3.299 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccsc2)cc1C(F)(F)F ZINC000350839159 165072939 /nfs/dbraw/zinc/07/29/39/165072939.db2.gz VZIAOPXVTBYOTE-UHFFFAOYSA-N -1 0 332.328 3.439 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(F)c2)cc1F ZINC000427105950 270049915 /nfs/dbraw/zinc/04/99/15/270049915.db2.gz BQFWLOKRFIWSST-UHFFFAOYSA-N -1 0 328.727 3.291 20 30 EGEDRM CCOC(=O)Nc1ccc(NC(=O)c2c([O-])cccc2F)cc1C#N ZINC000495472134 267128765 /nfs/dbraw/zinc/12/87/65/267128765.db2.gz FYQHWTCHQYVHDR-UHFFFAOYSA-N -1 0 343.314 3.224 20 30 EGEDRM CCOC(=O)Nc1ccc(NC2CCC(C(=O)[O-])CC2)cc1C#N ZINC000495996825 267129720 /nfs/dbraw/zinc/12/97/20/267129720.db2.gz ZICAVCXUXWTNTC-UHFFFAOYSA-N -1 0 331.372 3.182 20 30 EGEDRM COc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000435718490 267555924 /nfs/dbraw/zinc/55/59/24/267555924.db2.gz FATFKAGIJRCOCR-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM Cc1nc2ccc(C(=O)N=c3[n-]n(C(C)(C)C)cc3C#N)cc2s1 ZINC000432939794 268079455 /nfs/dbraw/zinc/07/94/55/268079455.db2.gz VHGAYJGOQSYNSV-UHFFFAOYSA-N -1 0 339.424 3.102 20 30 EGEDRM N#Cc1cc(Oc2ccc(NC(=O)c3c(O)cccc3O)cc2)ccn1 ZINC000436938521 268190401 /nfs/dbraw/zinc/19/04/01/268190401.db2.gz JBFNTWGDIVXDHD-UHFFFAOYSA-N -1 0 347.330 3.409 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)c(Cl)c1 ZINC000183049275 268207901 /nfs/dbraw/zinc/20/79/01/268207901.db2.gz ZCVQCGFRVJBBHB-UHFFFAOYSA-N -1 0 335.747 3.023 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)cn1 ZINC000195439065 268208420 /nfs/dbraw/zinc/20/84/20/268208420.db2.gz KQCXCTUMDPHLES-UHFFFAOYSA-N -1 0 335.388 3.421 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)C(F)(F)F)s1 ZINC000521963719 268259049 /nfs/dbraw/zinc/25/90/49/268259049.db2.gz WPTPYLUZUVZWOK-GFCCVEGCSA-N -1 0 346.355 3.202 20 30 EGEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)c(F)c1 ZINC000129922739 307621177 /nfs/dbraw/zinc/62/11/77/307621177.db2.gz KCJKELYBXJARST-UHFFFAOYSA-N -1 0 348.252 3.055 20 30 EGEDRM N#Cc1nc(NC(=O)Cc2csc3ccc(Cl)cc23)[n-]c1C#N ZINC000161813755 307906735 /nfs/dbraw/zinc/90/67/35/307906735.db2.gz ICAPHRWNFWNKDQ-UHFFFAOYSA-N -1 0 341.783 3.202 20 30 EGEDRM CC(C)[C@@H]1CCc2ccccc2[C@@H]1NS(=O)(=O)c1ccc(C#N)o1 ZINC000553858608 315285547 /nfs/dbraw/zinc/28/55/47/315285547.db2.gz PDXKPLUKHUQKOX-MAUKXSAKSA-N -1 0 344.436 3.389 20 30 EGEDRM N#Cc1c(Br)cccc1N1CCC[C@H](CCC(=O)[O-])C1 ZINC000168381822 454925907 /nfs/dbraw/zinc/92/59/07/454925907.db2.gz WZGWCKUBGHCLEN-LLVKDONJSA-N -1 0 337.217 3.402 20 30 EGEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]c2ccccc2Cl)c(F)c1 ZINC000127954485 455013159 /nfs/dbraw/zinc/01/31/59/455013159.db2.gz GADSBMYKEFNLOY-UHFFFAOYSA-N -1 0 328.727 3.291 20 30 EGEDRM CCc1cc(C#N)c([N-]S(=O)(=O)c2sc(C)nc2C)s1 ZINC000582174263 325419927 /nfs/dbraw/zinc/41/99/27/325419927.db2.gz BOJTWYIFHOYDIM-UHFFFAOYSA-N -1 0 327.456 3.056 20 30 EGEDRM Cc1noc(C)c1S(=O)(=O)[N-]c1ccccc1SCCC#N ZINC000264559650 455237362 /nfs/dbraw/zinc/23/73/62/455237362.db2.gz QOVYAKKTHWEISE-UHFFFAOYSA-N -1 0 337.426 3.098 20 30 EGEDRM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)[C@H]3CCCOC3)c2)c1 ZINC000238200291 455258570 /nfs/dbraw/zinc/25/85/70/455258570.db2.gz PRESOBSBYWOFEJ-SFHVURJKSA-N -1 0 349.386 3.150 20 30 EGEDRM CC1(C)Oc2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3F)cc2O1 ZINC000158047534 455263145 /nfs/dbraw/zinc/26/31/45/455263145.db2.gz HYZAUVRMOFPVHC-UHFFFAOYSA-N -1 0 348.355 3.005 20 30 EGEDRM C=C(C)CNC(=O)C[C@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000634940395 460618824 /nfs/dbraw/zinc/61/88/24/460618824.db2.gz CLNGYJRBVSHSEL-HNNXBMFYSA-N -1 0 330.211 3.418 20 30 EGEDRM Cc1nn(C)c2nc(C)cc(C([O-])=C(C#N)c3nc4ccccc4o3)c12 ZINC000041541623 453971148 /nfs/dbraw/zinc/97/11/48/453971148.db2.gz VKCOTAOYUOBOSI-ZDUSSCGKSA-N -1 0 345.362 3.216 20 30 EGEDRM Cc1cc(OC(C)C)ccc1[N-]S(=O)(=O)c1ccccc1C#N ZINC000055652250 454002990 /nfs/dbraw/zinc/00/29/90/454002990.db2.gz KPBOXXKBJCTNFG-UHFFFAOYSA-N -1 0 330.409 3.455 20 30 EGEDRM CCCn1nc(C)c(C([O-])=C(C#N)c2cnc3ccccc3n2)c1C ZINC000190900568 455401498 /nfs/dbraw/zinc/40/14/98/455401498.db2.gz OHNQHZUJXSUQLH-AWEZNQCLSA-N -1 0 333.395 3.343 20 30 EGEDRM C[C@@H]1CCC[C@](C#N)(NS(=O)(=O)c2cc(F)ccc2Cl)C1 ZINC000182013864 455416392 /nfs/dbraw/zinc/41/63/92/455416392.db2.gz UJFKRGUZJWJMBM-YGRLFVJLSA-N -1 0 330.812 3.230 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)C2CCC2)c(C(F)(F)F)c1 ZINC000058279784 454177628 /nfs/dbraw/zinc/17/76/28/454177628.db2.gz HYVBJTVTWGTGBT-UHFFFAOYSA-N -1 0 332.303 3.022 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)CCOCc2ccccc2)s1 ZINC000058282154 454178459 /nfs/dbraw/zinc/17/84/59/454178459.db2.gz VGOKTASJGDTGBO-UHFFFAOYSA-N -1 0 339.438 3.309 20 30 EGEDRM O=C(Cc1c[nH]c2ccccc12)[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000095440730 454213994 /nfs/dbraw/zinc/21/39/94/454213994.db2.gz HUCVYAVICQZBJB-UHFFFAOYSA-N -1 0 349.799 3.104 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)N2CCc3ccc(Cl)cc32)cc1C#N ZINC000060471498 454294207 /nfs/dbraw/zinc/29/42/07/454294207.db2.gz POOUNAYJDMZZNI-UHFFFAOYSA-N -1 0 345.811 3.237 20 30 EGEDRM CNC(=O)C(C#N)=C([O-])c1ccc(-c2ccc(F)cc2C)c(F)c1 ZINC000101170021 454469652 /nfs/dbraw/zinc/46/96/52/454469652.db2.gz PGBGUYHABWAVAM-OAHLLOKOSA-N -1 0 328.318 3.009 20 30 EGEDRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)C=Cc1cccc2ccccc12 ZINC000073839469 454489465 /nfs/dbraw/zinc/48/94/65/454489465.db2.gz BDPPBORSUDQLPA-OCHBPSSRSA-N -1 0 333.409 3.174 20 30 EGEDRM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1cccc(O)c1 ZINC000134608233 454568054 /nfs/dbraw/zinc/56/80/54/454568054.db2.gz TVDMBMGSAQDTNM-UHFFFAOYSA-N -1 0 342.298 3.083 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)Nc2cnc3ccccc3c2)cc1C#N ZINC000074351217 454569302 /nfs/dbraw/zinc/56/93/02/454569302.db2.gz TUWRNUJVSYDNQV-UHFFFAOYSA-N -1 0 336.376 3.181 20 30 EGEDRM N#CCCN(Cc1ccccn1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000093100441 454681094 /nfs/dbraw/zinc/68/10/94/454681094.db2.gz BMLZDLMJAZKUIT-UHFFFAOYSA-N -1 0 346.774 3.265 20 30 EGEDRM [O-]c1c(Cl)cc(Cl)cc1/C=N/C[C@@H]1COC2(CCOCC2)O1 ZINC000182236230 455468875 /nfs/dbraw/zinc/46/88/75/455468875.db2.gz VEZJIKGZCUCWMB-CIPPFVMLSA-N -1 0 346.210 3.040 20 30 EGEDRM N#CC(=C([O-])c1csc([C@H]2CCCO2)n1)c1nc2ccccc2[nH]1 ZINC000165270736 454896559 /nfs/dbraw/zinc/89/65/59/454896559.db2.gz QVKDTVQNMQNPPK-IINYFYTJSA-N -1 0 338.392 3.361 20 30 EGEDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cccc(C#N)c2C)c1C ZINC000179027792 455000594 /nfs/dbraw/zinc/00/05/94/455000594.db2.gz RNCLWRBJVXPEFZ-UHFFFAOYSA-N -1 0 345.380 3.193 20 30 EGEDRM C[C@@H]1CCC[C@H](C)N1C(=O)Cn1[n-]c(C(C)(C)C)c(CCC#N)c1=O ZINC000151841090 455038470 /nfs/dbraw/zinc/03/84/70/455038470.db2.gz LWRQMWYNVZLOTI-OKILXGFUSA-N -1 0 346.475 3.132 20 30 EGEDRM C=CCCCCCN(C)C(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000156077851 455079748 /nfs/dbraw/zinc/07/97/48/455079748.db2.gz LXXZLWAMFACDTB-UHFFFAOYSA-N -1 0 331.441 3.030 20 30 EGEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000180115754 455134700 /nfs/dbraw/zinc/13/47/00/455134700.db2.gz LHYOUZWZPGXETH-HOTGVXAUSA-N -1 0 331.412 3.101 20 30 EGEDRM COCc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c1 ZINC000183005123 455208465 /nfs/dbraw/zinc/20/84/65/455208465.db2.gz ONTBURIQXGWBMR-UHFFFAOYSA-N -1 0 336.800 3.159 20 30 EGEDRM CN(C)c1ccc2cc(NC(=O)c3ccc(C#N)c([O-])c3)ccc2n1 ZINC000191018614 455425373 /nfs/dbraw/zinc/42/53/73/455425373.db2.gz GCKQBQPFHHTAMM-UHFFFAOYSA-N -1 0 332.363 3.130 20 30 EGEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(C(F)F)c1 ZINC000184838704 455457289 /nfs/dbraw/zinc/45/72/89/455457289.db2.gz JHEBSPIADXDMKJ-UHFFFAOYSA-N -1 0 338.335 3.305 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)c2nc3ccccc3n2C)nn1C(C)(C)C ZINC000194086308 455800100 /nfs/dbraw/zinc/80/01/00/455800100.db2.gz DMDOJHUHJRAVDX-CYBMUJFWSA-N -1 0 335.411 3.323 20 30 EGEDRM O=C1OCCN1c1cccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000254952757 455857399 /nfs/dbraw/zinc/85/73/99/455857399.db2.gz CWZHSEOFDYDHFN-UHFFFAOYSA-N -1 0 327.296 3.008 20 30 EGEDRM N#Cc1cncc(S(=O)(=O)[N-]c2cccc(OC3CCCC3)c2)c1 ZINC000290468984 456337763 /nfs/dbraw/zinc/33/77/63/456337763.db2.gz FCNJIANGEJRFIC-UHFFFAOYSA-N -1 0 343.408 3.075 20 30 EGEDRM C[C@H](CC#N)N(C)C(=O)N=c1[n-]nc(-c2cc3ccccc3o2)s1 ZINC000347746332 456345748 /nfs/dbraw/zinc/34/57/48/456345748.db2.gz XJRGCZBFCKCTQX-SNVBAGLBSA-N -1 0 341.396 3.139 20 30 EGEDRM C=CCCSc1nc([O-])c(CC)c(=O)n1-c1cccc(OC)c1 ZINC000606756059 460731655 /nfs/dbraw/zinc/73/16/55/460731655.db2.gz YQLYBTQXTWXCMM-UHFFFAOYSA-N -1 0 332.425 3.177 20 30 EGEDRM C=C[C@@](C)(O)CC(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC000291392076 456630193 /nfs/dbraw/zinc/63/01/93/456630193.db2.gz HWLCVGGNUPRTPY-GFCCVEGCSA-N -1 0 334.597 3.074 20 30 EGEDRM CC(C)(C)c1[n-]n(CCCO[C@H]2CCCCO2)c(=O)c1CCC#N ZINC000341400663 456861775 /nfs/dbraw/zinc/86/17/75/456861775.db2.gz QUCPSOJYIVBYML-HNNXBMFYSA-N -1 0 335.448 3.276 20 30 EGEDRM Cc1cc(N=C([O-])c2cn(C)nc2C2CCCCC2)cn(C)c1=O ZINC000330203622 457002806 /nfs/dbraw/zinc/00/28/06/457002806.db2.gz AYYMMEYERVRJTG-UHFFFAOYSA-N -1 0 328.416 3.111 20 30 EGEDRM N#CCc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)cc1 ZINC000345902622 457005716 /nfs/dbraw/zinc/00/57/16/457005716.db2.gz IPLOPVYTSSCMLR-INIZCTEOSA-N -1 0 342.782 3.352 20 30 EGEDRM Cc1oc2ccccc2c1CNS(=O)(=O)c1ccc(F)cc1C#N ZINC000342027478 457065848 /nfs/dbraw/zinc/06/58/48/457065848.db2.gz VFLQRTDOIBNUTA-UHFFFAOYSA-N -1 0 344.367 3.231 20 30 EGEDRM N#Cc1cccnc1Oc1ccccc1[N-]S(=O)(=O)c1ccoc1 ZINC000350019150 457145255 /nfs/dbraw/zinc/14/52/55/457145255.db2.gz UJXNDERMOQVLFD-UHFFFAOYSA-N -1 0 341.348 3.139 20 30 EGEDRM N#CC(=C([O-])c1ccc2c(c1)SCC(=O)N2)c1nc2ccccc2o1 ZINC000355104295 457342055 /nfs/dbraw/zinc/34/20/55/457342055.db2.gz MBLXRUCEODRSFZ-NSHDSACASA-N -1 0 349.371 3.362 20 30 EGEDRM N#CCCCOc1cccc(CN=c2[n-]nc(-c3ccccc3)o2)c1 ZINC000357192494 457367579 /nfs/dbraw/zinc/36/75/79/457367579.db2.gz SCYGKSLNJDUKHC-UHFFFAOYSA-N -1 0 334.379 3.453 20 30 EGEDRM CC[C@H](NS(=O)(=O)c1c(F)cc(C#N)cc1F)c1ccccc1 ZINC000342601407 457393055 /nfs/dbraw/zinc/39/30/55/457393055.db2.gz VHRDSOGNTNIZHM-HNNXBMFYSA-N -1 0 336.363 3.266 20 30 EGEDRM COc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2)c(Cl)c1 ZINC000357486116 457559700 /nfs/dbraw/zinc/55/97/00/457559700.db2.gz SFASLAQHOHAZMM-UHFFFAOYSA-N -1 0 340.763 3.160 20 30 EGEDRM COc1c(C([O-])=C(C#N)c2cnc3ccccc3n2)cccc1[N+](=O)[O-] ZINC000361845372 457903720 /nfs/dbraw/zinc/90/37/20/457903720.db2.gz ZCFQQJLMEONIMP-LBPRGKRZSA-N -1 0 348.318 3.037 20 30 EGEDRM C=CCN=c1[n-]nc(SCc2ccc(-n3ccnc3)cc2)s1 ZINC000358319322 457930963 /nfs/dbraw/zinc/93/09/63/457930963.db2.gz HSKLMZWYXQEVGO-UHFFFAOYSA-N -1 0 329.454 3.036 20 30 EGEDRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N[C@H](C#N)C(C)(C)C)n2)cc1 ZINC000427393278 457981208 /nfs/dbraw/zinc/98/12/08/457981208.db2.gz YCEZNBCOQWECJZ-MRXNPFEDSA-N -1 0 340.427 3.369 20 30 EGEDRM COC(=O)c1cccc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)c1 ZINC000362119575 458031027 /nfs/dbraw/zinc/03/10/27/458031027.db2.gz ROTIKCRHVFSQFY-CYBMUJFWSA-N -1 0 348.280 3.377 20 30 EGEDRM CCCc1c(C([O-])=C(C#N)c2ccncn2)cnn1-c1ccc(C)cc1 ZINC000429276071 458305009 /nfs/dbraw/zinc/30/50/09/458305009.db2.gz CZZBOKZNQCWZKY-MRXNPFEDSA-N -1 0 345.406 3.413 20 30 EGEDRM C[C@@H](C#N)CN(C(=O)c1cc(F)cc(Br)c1[O-])C1CC1 ZINC000416173611 458340212 /nfs/dbraw/zinc/34/02/12/458340212.db2.gz AFJFLIDNUKCMHA-QMMMGPOBSA-N -1 0 341.180 3.058 20 30 EGEDRM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cc4ccccc4[nH]c3=O)nc1-2 ZINC000429573216 458348215 /nfs/dbraw/zinc/34/82/15/458348215.db2.gz YEWGJDYBEORCSO-ZDUSSCGKSA-N -1 0 343.346 3.010 20 30 EGEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1ccccc1OCCc1ccccc1 ZINC000416938764 458357210 /nfs/dbraw/zinc/35/72/10/458357210.db2.gz FZBKTUKKUMPPJW-MRXNPFEDSA-N -1 0 344.436 3.352 20 30 EGEDRM C=CCC[C@H](NC(=O)c1ccccc1-c1nc(C(C)C)no1)C(=O)[O-] ZINC000448988744 458418432 /nfs/dbraw/zinc/41/84/32/458418432.db2.gz BXGQQZVPWHSBGM-AWEZNQCLSA-N -1 0 343.383 3.009 20 30 EGEDRM C[C@@H](Oc1cccc(/C=C2\COc3c(F)cccc3C2=O)c1)C(=O)[O-] ZINC000377361175 458497259 /nfs/dbraw/zinc/49/72/59/458497259.db2.gz CZOOKWBOHNURCX-KAQJVSAMSA-N -1 0 342.322 3.336 20 30 EGEDRM O=C([O-])CCOc1cccc(/C=C2\COc3c(F)cccc3C2=O)c1 ZINC000377362445 458497824 /nfs/dbraw/zinc/49/78/24/458497824.db2.gz NMNAFTJFUALJOA-UKTHLTGXSA-N -1 0 342.322 3.338 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)/C=C/c2cccc(OC(C)C)c2)CC1 ZINC000493679568 458533610 /nfs/dbraw/zinc/53/36/10/458533610.db2.gz IFSFIGRSLATLPS-CMDGGOBGSA-N -1 0 349.452 3.042 20 30 EGEDRM C=C(C)Cn1c(-c2sccc2C)n[n-]c1=Nc1c(C)nn(C)c1C ZINC000460794961 458533626 /nfs/dbraw/zinc/53/36/26/458533626.db2.gz BSQHFYWBXDEKHY-UHFFFAOYSA-N -1 0 342.472 3.407 20 30 EGEDRM Cc1cc(C#N)ccc1S(=O)(=O)Nc1ccc2c(c1)CC(C)(C)O2 ZINC000468752038 458534325 /nfs/dbraw/zinc/53/43/25/458534325.db2.gz ABGIBXOSILBDDA-UHFFFAOYSA-N -1 0 342.420 3.381 20 30 EGEDRM Cc1cc(C)cc(-c2n[n-]c(=NC(=O)N(C)CC(C)(C)C#N)s2)c1 ZINC000455155974 458586272 /nfs/dbraw/zinc/58/62/72/458586272.db2.gz LAIVBAXSPYMZIN-UHFFFAOYSA-N -1 0 343.456 3.257 20 30 EGEDRM CCC(CC)(CNC(=O)N[C@H](CCC#N)c1ccccc1)C(=O)[O-] ZINC000424419882 458638449 /nfs/dbraw/zinc/63/84/49/458638449.db2.gz YSUJQCDICGMYSP-OAHLLOKOSA-N -1 0 331.416 3.222 20 30 EGEDRM C=CCn1c(-c2cccc(C#N)c2)n[n-]c1=Nc1cccc(OC)c1 ZINC000515333411 458807594 /nfs/dbraw/zinc/80/75/94/458807594.db2.gz ONZBKUQJLQXBFG-UHFFFAOYSA-N -1 0 331.379 3.177 20 30 EGEDRM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3csc(C(C)C)n3)nc1-2 ZINC000530946847 458848861 /nfs/dbraw/zinc/84/88/61/458848861.db2.gz VQKZOCYUIWLPED-JTQLQIEISA-N -1 0 325.397 3.336 20 30 EGEDRM O=C(CCOCC(F)(F)C(F)(F)F)Nc1ccc(F)c(F)c1[O-] ZINC000457290671 458913807 /nfs/dbraw/zinc/91/38/07/458913807.db2.gz JTZNASWOZZMVST-UHFFFAOYSA-N -1 0 349.202 3.213 20 30 EGEDRM C=CCC[C@H](NS(=O)(=O)c1cccc(-c2ccccc2)c1)C(=O)[O-] ZINC000556772946 459006621 /nfs/dbraw/zinc/00/66/21/459006621.db2.gz LRBAUSZMCZRYJN-KRWDZBQOSA-N -1 0 345.420 3.051 20 30 EGEDRM CC(C)(C)c1cc([N-]S(=O)(=O)c2cccc(Cl)c2C#N)no1 ZINC000476919297 459022187 /nfs/dbraw/zinc/02/21/87/459022187.db2.gz ZJZFUXTVHLKHHA-UHFFFAOYSA-N -1 0 339.804 3.298 20 30 EGEDRM N#CCc1ccc(NC(=O)N2CCC[C@H](CC(=O)[O-])C2)c(Cl)c1 ZINC000557169172 459054190 /nfs/dbraw/zinc/05/41/90/459054190.db2.gz ZSSXSECNEYPDRM-GFCCVEGCSA-N -1 0 335.791 3.125 20 30 EGEDRM COC(=O)c1cc(C(C)C)ccc1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000442949693 459065248 /nfs/dbraw/zinc/06/52/48/459065248.db2.gz BXDUUJVROLSOQU-UHFFFAOYSA-N -1 0 338.363 3.426 20 30 EGEDRM N#Cc1ccc(C(=O)N=c2cc(-c3ccc(Cl)s3)[nH][nH]2)cc1[O-] ZINC000443056974 459079646 /nfs/dbraw/zinc/07/96/46/459079646.db2.gz ILOKFXAZUDUBOI-UHFFFAOYSA-N -1 0 344.783 3.043 20 30 EGEDRM CC(C)[C@@H](CNC(=O)N[C@@H](CCCC#N)c1ccccc1)C(=O)[O-] ZINC000594529349 459080447 /nfs/dbraw/zinc/08/04/47/459080447.db2.gz RPCUEBPCYFOFKC-CVEARBPZSA-N -1 0 331.416 3.078 20 30 EGEDRM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]c1ncccc1C#N ZINC000443145480 459091634 /nfs/dbraw/zinc/09/16/34/459091634.db2.gz IYZGBAUTGZNNRR-UHFFFAOYSA-N -1 0 347.783 3.462 20 30 EGEDRM COc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)c(F)c1 ZINC000480228772 459189209 /nfs/dbraw/zinc/18/92/09/459189209.db2.gz OTJNALONWQOPRE-UHFFFAOYSA-N -1 0 348.399 3.436 20 30 EGEDRM Cc1cnc(OC(C)C)c([N-]S(=O)(=O)c2cccc(CC#N)c2)c1 ZINC000590743422 459202730 /nfs/dbraw/zinc/20/27/30/459202730.db2.gz YGVAABOEXSDTAF-UHFFFAOYSA-N -1 0 345.424 3.044 20 30 EGEDRM C[C@@H]1CCc2onc(C([O-])=C(C#N)c3cnc4ccccc4n3)c2C1 ZINC000560001022 459289721 /nfs/dbraw/zinc/28/97/21/459289721.db2.gz TZDNQRRRXCOROC-DGCLKSJQSA-N -1 0 332.363 3.233 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2F)c(F)c1 ZINC000523533646 459312042 /nfs/dbraw/zinc/31/20/42/459312042.db2.gz XMCYUFIHBLIJGB-UHFFFAOYSA-N -1 0 328.727 3.291 20 30 EGEDRM C=CC[C@@H](CC)NC(=O)N[C@@H](C(=O)[O-])c1ccc(OC(F)F)cc1 ZINC000560487201 459357151 /nfs/dbraw/zinc/35/71/51/459357151.db2.gz UPQXNDRJALCFRD-DGCLKSJQSA-N -1 0 342.342 3.068 20 30 EGEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)NCCCCC(=O)[O-] ZINC000591353213 459360390 /nfs/dbraw/zinc/36/03/90/459360390.db2.gz ZTCWDLCXYZOMFA-GFCCVEGCSA-N -1 0 335.429 3.457 20 30 EGEDRM C=CCOc1ccc(CN=c2[n-]nc(Cc3cccc(F)c3)o2)cc1 ZINC000538592809 459372310 /nfs/dbraw/zinc/37/23/10/459372310.db2.gz FLHGDZMYNCDSJA-UHFFFAOYSA-N -1 0 339.370 3.398 20 30 EGEDRM C=CCCCCNC(=O)N[C@@H](C(=O)[O-])c1ccc(OC)c(Cl)c1 ZINC000571856795 459574157 /nfs/dbraw/zinc/57/41/57/459574157.db2.gz LBWUTLRMWIURET-CQSZACIVSA-N -1 0 340.807 3.130 20 30 EGEDRM C=CCOC[C@H](NC(=O)Nc1cc(Cl)c(C)c(Cl)c1)C(=O)[O-] ZINC000572582974 459581814 /nfs/dbraw/zinc/58/18/14/459581814.db2.gz VUEXQFCHUMRUSC-LBPRGKRZSA-N -1 0 347.198 3.079 20 30 EGEDRM CC(=O)c1ccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)o1 ZINC000562597016 459596816 /nfs/dbraw/zinc/59/68/16/459596816.db2.gz UPKNLGQYMTVLNM-LBPRGKRZSA-N -1 0 337.360 3.491 20 30 EGEDRM Cc1cc(C(=O)Nc2cccc(O)c2F)nn1-c1cccc(C#N)c1 ZINC000542818414 459599417 /nfs/dbraw/zinc/59/94/17/459599417.db2.gz GSXFNTGBJQRSOI-UHFFFAOYSA-N -1 0 336.326 3.149 20 30 EGEDRM C#C[C@@H](NC(=O)c1cccc([O-])c1[N+](=O)[O-])c1ccc(Cl)cc1F ZINC000491181346 459603109 /nfs/dbraw/zinc/60/31/09/459603109.db2.gz SGPBOIXFRUDYJB-CYBMUJFWSA-N -1 0 348.717 3.197 20 30 EGEDRM C#C[C@@H]([N-]S(=O)(=O)[C@@H](C)C(F)(F)F)c1ccc(Cl)cc1F ZINC000491787377 459674112 /nfs/dbraw/zinc/67/41/12/459674112.db2.gz VKIGALAPRHQUHS-WRWORJQWSA-N -1 0 343.729 3.024 20 30 EGEDRM CCc1c(C([O-])=C(C#N)c2ccncn2)cnn1-c1ccc(C)cc1 ZINC000544816291 459785605 /nfs/dbraw/zinc/78/56/05/459785605.db2.gz KEVCBADYSVVAET-OAHLLOKOSA-N -1 0 331.379 3.023 20 30 EGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000528914975 459816786 /nfs/dbraw/zinc/81/67/86/459816786.db2.gz SKNULNBGRVVFBJ-NZKXISTQSA-N -1 0 338.407 3.427 20 30 EGEDRM COc1ccc(C(C)(C)C)cc1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000588839612 459988978 /nfs/dbraw/zinc/98/89/78/459988978.db2.gz OJBTVUKGISNLIY-UHFFFAOYSA-N -1 0 334.397 3.258 20 30 EGEDRM C=C[C@@H]1CCCCN1C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000614132446 460022657 /nfs/dbraw/zinc/02/26/57/460022657.db2.gz IHGWSNYVYSXKHY-CYBMUJFWSA-N -1 0 331.803 3.412 20 30 EGEDRM CCCOc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2F)c1 ZINC000610056659 460056665 /nfs/dbraw/zinc/05/66/65/460056665.db2.gz DZKSGFJWSMPBMZ-UHFFFAOYSA-N -1 0 334.372 3.287 20 30 EGEDRM Cn1ncc(C([O-])=C(C#N)c2ccc3ccccc3n2)c1C(F)F ZINC000589829991 460142397 /nfs/dbraw/zinc/14/23/97/460142397.db2.gz CBCMEIKNMHJSSW-LLVKDONJSA-N -1 0 326.306 3.396 20 30 EGEDRM Cn1cc(C#N)c(=NC(=O)N2CCCCC[C@@H]2/C=C\c2ccccc2)[n-]1 ZINC000610655663 460205997 /nfs/dbraw/zinc/20/59/97/460205997.db2.gz DSVXOYBRTWVYMM-YUIUBULTSA-N -1 0 349.438 3.204 20 30 EGEDRM N#Cc1ccc2c(c1)CC[C@H]2NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000618893044 460211094 /nfs/dbraw/zinc/21/10/94/460211094.db2.gz VMYQYWNLZYTDQG-CYBMUJFWSA-N -1 0 332.281 3.098 20 30 EGEDRM N#CCc1cccc(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2O)c1 ZINC000619463838 460362922 /nfs/dbraw/zinc/36/29/22/460362922.db2.gz MRVDWAJYCFDXSX-UHFFFAOYSA-N -1 0 340.763 3.052 20 30 EGEDRM CCc1ccccc1[C@@H]1C[C@H]1C(=O)N=c1[n-]n(C(C)(C)C)cc1C#N ZINC000619793865 460445654 /nfs/dbraw/zinc/44/56/54/460445654.db2.gz PRBNKUUSOZEFHE-DLBZAZTESA-N -1 0 336.439 3.236 20 30 EGEDRM C[C@@H]1CCc2[n-]n(-c3cc(C#N)ccc3Br)c(=O)c2C1 ZINC000601947114 460956657 /nfs/dbraw/zinc/95/66/57/460956657.db2.gz JFFDQRULVUGUBA-KOLCDFICSA-N -1 0 332.201 3.460 20 30 EGEDRM CC[C@@](C)(CC(=O)[O-])C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000601983369 460970730 /nfs/dbraw/zinc/97/07/30/460970730.db2.gz LFUKCSCMPHHFQB-AWEZNQCLSA-N -1 0 328.290 3.407 20 30 EGEDRM C=C(C)[C@H](NC(=O)[C@H](C)S[C@@H](C)C(=O)[O-])c1ccc(F)c(F)c1 ZINC000601993007 460975980 /nfs/dbraw/zinc/97/59/80/460975980.db2.gz RXLLIDGDVHYCLZ-BHDSKKPTSA-N -1 0 343.395 3.293 20 30 EGEDRM C[C@H](NC(=O)[C@@](C)(CC(=O)[O-])c1ccsc1)c1cccc(C#N)c1 ZINC000601991793 460976185 /nfs/dbraw/zinc/97/61/85/460976185.db2.gz PWROUTZFYKBBQN-SGTLLEGYSA-N -1 0 342.420 3.230 20 30 EGEDRM C=C(C)C[C@H](NC(=O)CCSc1ccccc1Cl)C(=O)[O-] ZINC000630319397 461094415 /nfs/dbraw/zinc/09/44/15/461094415.db2.gz ZPVXOUGUPZBWSO-LBPRGKRZSA-N -1 0 327.833 3.358 20 30 EGEDRM C=C(C)COc1cccc(NC(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)c1 ZINC000630561440 461189348 /nfs/dbraw/zinc/18/93/48/461189348.db2.gz PPVKOVCMHLGRAA-BBRMVZONSA-N -1 0 332.400 3.216 20 30 EGEDRM C=C(C)C[C@@H](C)C(=O)N[C@H](C(=O)[O-])c1ccccc1Br ZINC000659191107 461213418 /nfs/dbraw/zinc/21/34/18/461213418.db2.gz PLKJDAMWQXJKGF-MFKMUULPSA-N -1 0 340.217 3.293 20 30 EGEDRM C=CC[C@H]1N(C(=O)c2cccc(OCC(=O)[O-])c2)CCCC1(C)C ZINC000668321763 461243724 /nfs/dbraw/zinc/24/37/24/461243724.db2.gz YZBFQYUTJGNXNG-MRXNPFEDSA-N -1 0 331.412 3.357 20 30 EGEDRM Cc1c(C([O-])=C(C#N)c2nc(C3CC3)cs2)nnn1-c1ccccc1 ZINC000647377416 461667352 /nfs/dbraw/zinc/66/73/52/461667352.db2.gz HNZPBONLMDJLNO-CQSZACIVSA-N -1 0 349.419 3.400 20 30 EGEDRM C=CCCOCC(=O)N[C@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000653650998 461785171 /nfs/dbraw/zinc/78/51/71/461785171.db2.gz DUPYJPMERKPQLX-HNNXBMFYSA-N -1 0 346.210 3.002 20 30 EGEDRM C=CCN1C(=O)c2ccccc2N[C@H]1c1ccc(C(=O)[O-])c(F)c1 ZINC000639402793 461911726 /nfs/dbraw/zinc/91/17/26/461911726.db2.gz CCYAMLJLBHUYPN-MRXNPFEDSA-N -1 0 326.327 3.276 20 30 EGEDRM C=CCCC(C)(C)NC(=O)N=c1[nH]n(CC(F)(F)F)cc1Cl ZINC000640303629 462355704 /nfs/dbraw/zinc/35/57/04/462355704.db2.gz UXYVFMYXVMLEBZ-UHFFFAOYSA-N -1 0 338.761 3.387 20 30 EGEDRM CCC(CC)n1nccc1C([O-])=C(C#N)c1nc2[nH]ccc(C)c-2n1 ZINC000676324918 549069515 /nfs/dbraw/zinc/06/95/15/549069515.db2.gz VGZWSXUTCCGBPG-CYBMUJFWSA-N -1 0 336.399 3.314 20 30 EGEDRM C=C[C@@H](CC(=O)N[C@]1(C(=O)[O-])CCc2ccccc21)c1ccccc1 ZINC000683309670 550216641 /nfs/dbraw/zinc/21/66/41/550216641.db2.gz IDRJTUCKXQCBRL-YCRPNKLZSA-N -1 0 335.403 3.389 20 30 EGEDRM N#Cc1ccc(NC(=S)NNc2ccc(C(=O)[O-])cc2)cc1Cl ZINC000726433978 574553034 /nfs/dbraw/zinc/55/30/34/574553034.db2.gz CSGJAWHGHZYPOV-UHFFFAOYSA-N -1 0 346.799 3.223 20 30 EGEDRM O=C([O-])CCOc1cccc(C=NNCCCc2ccccc2)c1 ZINC000729146310 574818611 /nfs/dbraw/zinc/81/86/11/574818611.db2.gz RUDOFOOATCTOOF-UHFFFAOYSA-N -1 0 326.396 3.096 20 30 EGEDRM COc1ccc(C(=O)/C=C\c2cccc(F)c2F)cc1CC(=O)[O-] ZINC000730729838 575013365 /nfs/dbraw/zinc/01/33/65/575013365.db2.gz OQYKCLCYKHEJJY-ALCCZGGFSA-N -1 0 332.302 3.497 20 30 EGEDRM CC(=NNc1nc(C)cc(=O)[nH]1)c1ccccc1OC(F)(F)F ZINC000730945404 575038251 /nfs/dbraw/zinc/03/82/51/575038251.db2.gz ICHLHMKWLBIDAE-UHFFFAOYSA-N -1 0 326.278 3.225 20 30 EGEDRM O=C([O-])c1ccccc1COc1cccc(CN=Nc2ncccn2)c1 ZINC000731559008 575081748 /nfs/dbraw/zinc/08/17/48/575081748.db2.gz POYUFFODPAIBKU-UHFFFAOYSA-N -1 0 348.362 3.200 20 30 EGEDRM COc1cc(/C=C/C(=O)c2sccc2C)ccc1OCC(=O)[O-] ZINC000733749200 575388253 /nfs/dbraw/zinc/38/82/53/575388253.db2.gz SDRQVHLSTAIUGV-HWKANZROSA-N -1 0 332.377 3.425 20 30 EGEDRM C=CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000734041895 575429222 /nfs/dbraw/zinc/42/92/22/575429222.db2.gz FIBQJLRCYWUCNT-UHFFFAOYSA-N -1 0 331.393 3.139 20 30 EGEDRM C#CCN(C(=O)NCCc1ccc(NC(=O)[O-])cc1)C1CCCCC1 ZINC000736077399 575896106 /nfs/dbraw/zinc/89/61/06/575896106.db2.gz SPEHJHIDEFQFNS-UHFFFAOYSA-N -1 0 343.427 3.297 20 30 EGEDRM C=C(C)CN(CC)C(=O)[C@H](C)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000736095014 575898730 /nfs/dbraw/zinc/89/87/30/575898730.db2.gz DMMDXFPCZDKDQD-AWEZNQCLSA-N -1 0 333.432 3.021 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)C[C@H](C)n1cccc1 ZINC000736115060 575900787 /nfs/dbraw/zinc/90/07/87/575900787.db2.gz UTAZLBQWTNQWIB-ZDUSSCGKSA-N -1 0 343.379 3.480 20 30 EGEDRM C=CCn1c(S[C@@H](CCCC)C(=O)[O-])nc2sccc2c1=O ZINC000736117924 575901463 /nfs/dbraw/zinc/90/14/63/575901463.db2.gz OKZZCAPLLSTGHA-NSHDSACASA-N -1 0 338.454 3.380 20 30 EGEDRM CC(C)[C@@H](NC(=O)[O-])C(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000736201191 575914319 /nfs/dbraw/zinc/91/43/19/575914319.db2.gz GZOGIVGQNUMIBI-SMDDNHRTSA-N -1 0 335.429 3.169 20 30 EGEDRM CC(C)(NC(=O)[O-])C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000736332538 575938287 /nfs/dbraw/zinc/93/82/87/575938287.db2.gz KEYNRBSZAIXINC-UHFFFAOYSA-N -1 0 339.351 3.335 20 30 EGEDRM CC(C)CN(Cc1noc(CCCC(=O)[O-])n1)c1ccc(C#N)cc1 ZINC000736432360 575958575 /nfs/dbraw/zinc/95/85/75/575958575.db2.gz JJWQBJCURVZCQE-UHFFFAOYSA-N -1 0 342.399 3.011 20 30 EGEDRM CC(C)COc1ccc(N[C@H](C(=O)[O-])c2ccc(C#N)cc2)cn1 ZINC000736448224 575964820 /nfs/dbraw/zinc/96/48/20/575964820.db2.gz JSSKFTWIQCTPFQ-KRWDZBQOSA-N -1 0 325.368 3.226 20 30 EGEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(C(=O)[O-])cn1 ZINC000736545568 575982040 /nfs/dbraw/zinc/98/20/40/575982040.db2.gz SGAUTSQRGFLLJS-LLVKDONJSA-N -1 0 341.392 3.426 20 30 EGEDRM C[C@H](Cc1cccc(F)c1)C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736626141 575995163 /nfs/dbraw/zinc/99/51/63/575995163.db2.gz KHGQEHLMQFBJBN-SJKOYZFVSA-N -1 0 341.338 3.245 20 30 EGEDRM C[C@H](SCC(=O)[O-])C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000736706533 576011264 /nfs/dbraw/zinc/01/12/64/576011264.db2.gz AIQYJJXBRORDMN-VIFPVBQESA-N -1 0 338.454 3.033 20 30 EGEDRM CCOC(=O)c1ccc(C#N)c(S[C@H](C(=O)[O-])c2ccccc2)n1 ZINC000737154445 576126169 /nfs/dbraw/zinc/12/61/69/576126169.db2.gz VOCCSEWEUUHJSC-AWEZNQCLSA-N -1 0 342.376 3.048 20 30 EGEDRM CCOc1cc(C#N)ccc1OC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000737179903 576130951 /nfs/dbraw/zinc/13/09/51/576130951.db2.gz UJAKHWUAGZPQEK-UHFFFAOYSA-N -1 0 339.347 3.193 20 30 EGEDRM Cc1cccc2c1CCC2N=Nc1oc(C(C)C)nc1-c1nnn[n-]1 ZINC000737409383 576222726 /nfs/dbraw/zinc/22/27/26/576222726.db2.gz NGWNQYQRGHRLAO-UHFFFAOYSA-N -1 0 337.387 3.049 20 30 EGEDRM Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000738474459 576329459 /nfs/dbraw/zinc/32/94/59/576329459.db2.gz LXLMOBKJOQDANF-JKSUJKDBSA-N -1 0 336.347 3.318 20 30 EGEDRM Cc1ccc(C(=O)[O-])cc1OCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000738541334 576335627 /nfs/dbraw/zinc/33/56/27/576335627.db2.gz RADMXJUFXROTMP-UHFFFAOYSA-N -1 0 335.319 3.194 20 30 EGEDRM Cc1ccc2cc(C(=O)O[C@H](C(=O)[O-])c3ccc(C#N)cc3)[nH]c2c1 ZINC000738674847 576349710 /nfs/dbraw/zinc/34/97/10/576349710.db2.gz BWIMZKPSZCGULY-KRWDZBQOSA-N -1 0 334.331 3.331 20 30 EGEDRM N#Cc1ccc([C@H](Nc2ccc3c(c2)OC(F)(F)O3)C(=O)[O-])cc1 ZINC000739107373 576378360 /nfs/dbraw/zinc/37/83/60/576378360.db2.gz AXQVMOCDGARUTC-AWEZNQCLSA-N -1 0 332.262 3.118 20 30 EGEDRM N#Cc1ccc([C@@H](OC(=O)/C=C\c2ccccc2F)C(=O)[O-])cc1 ZINC000739112362 576378566 /nfs/dbraw/zinc/37/85/66/576378566.db2.gz ZDSXIBOIWOGEFK-DOOKAGJSSA-N -1 0 325.295 3.080 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)c2c[nH]c3cc(F)ccc32)C(=O)[O-])cc1 ZINC000739116067 576378817 /nfs/dbraw/zinc/37/88/17/576378817.db2.gz YXSKLHHQUMYKDE-INIZCTEOSA-N -1 0 338.294 3.161 20 30 EGEDRM N#Cc1ccc(NC[C@@H](Cc2cccc3ccccc32)C(=O)[O-])nc1 ZINC000739121850 576379083 /nfs/dbraw/zinc/37/90/83/576379083.db2.gz WTLPNEZJRNPKAK-QGZVFWFLSA-N -1 0 331.375 3.462 20 30 EGEDRM N#Cc1ccc(SCC(=O)Nc2cccc(C(=O)[O-])c2)c(F)c1 ZINC000739132449 576379321 /nfs/dbraw/zinc/37/93/21/576379321.db2.gz RBLAUZNGQNWRAW-UHFFFAOYSA-N -1 0 330.340 3.126 20 30 EGEDRM N#Cc1cccnc1NC[C@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000739142850 576379587 /nfs/dbraw/zinc/37/95/87/576379587.db2.gz RNWYDTIOFFFAPK-SFHVURJKSA-N -1 0 331.375 3.462 20 30 EGEDRM O=C([O-])CN1C/C(=C\c2cccs2)C(=O)/C(=C/c2cccs2)C1 ZINC000739799503 576506631 /nfs/dbraw/zinc/50/66/31/576506631.db2.gz RKQFMZSENHSRRR-INOXDZRUSA-N -1 0 345.445 3.246 20 30 EGEDRM C=C(Cl)C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000739961160 576525228 /nfs/dbraw/zinc/52/52/28/576525228.db2.gz BGDASXXEKJHKBM-UHFFFAOYSA-N -1 0 334.146 3.390 20 30 EGEDRM O=C([O-])c1ccc2[nH]cc(CN=Nc3cnnc4ccccc34)c2c1 ZINC000740191293 576562801 /nfs/dbraw/zinc/56/28/01/576562801.db2.gz YUXXVZCTZQXRQW-UHFFFAOYSA-N -1 0 331.335 3.255 20 30 EGEDRM O=C([O-])c1occc1C=NNc1c(F)cc(F)cc1Br ZINC000740280483 576573634 /nfs/dbraw/zinc/57/36/34/576573634.db2.gz BVVQUEKOEFQFOC-UHFFFAOYSA-N -1 0 345.099 3.465 20 30 EGEDRM CCN(CC)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2F)cc1 ZINC000740605148 576606441 /nfs/dbraw/zinc/60/64/41/576606441.db2.gz MMWFCVBFJYPNSA-UHFFFAOYSA-N -1 0 347.415 3.344 20 30 EGEDRM O=c1c2ccccc2[n-]c(=S)n1N=Cc1ccc2ccccc2n1 ZINC000741462196 576688096 /nfs/dbraw/zinc/68/80/96/576688096.db2.gz KYLAOELSFIBHIA-UHFFFAOYSA-N -1 0 332.388 3.116 20 30 EGEDRM C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C)cc1C ZINC000741657682 576709067 /nfs/dbraw/zinc/70/90/67/576709067.db2.gz UOWOLHJUZQDLPS-UHFFFAOYSA-N -1 0 333.384 3.255 20 30 EGEDRM COCc1cccc(/C=C/C(=O)c2ccc(OC)c(CC(=O)[O-])c2)c1 ZINC000742431262 576783824 /nfs/dbraw/zinc/78/38/24/576783824.db2.gz GBSZQZGQBBQJRP-SOFGYWHQSA-N -1 0 340.375 3.365 20 30 EGEDRM Cc1cc(/C=C\C(=O)c2ccc(CC(=O)[O-])cc2)ccc1-n1cncn1 ZINC000742433464 576784167 /nfs/dbraw/zinc/78/41/67/576784167.db2.gz YRWXBICYRCUOII-UITAMQMPSA-N -1 0 347.374 3.099 20 30 EGEDRM C/C(=C/C(=O)Nc1nc(C#N)c(C#N)[n-]1)c1cccc(C(F)(F)F)c1 ZINC000743305903 576805420 /nfs/dbraw/zinc/80/54/20/576805420.db2.gz ZOBUJFGXWWYDIE-UITAMQMPSA-N -1 0 345.284 3.214 20 30 EGEDRM C[C@@H](Oc1cccc(C(=O)/C=C\c2ccc3c(c2)CCO3)c1)C(=O)[O-] ZINC000745022136 576838723 /nfs/dbraw/zinc/83/87/23/576838723.db2.gz XLGJJSFIPQMARI-SCXUMTSISA-N -1 0 338.359 3.370 20 30 EGEDRM CC(C)[C@H](NC(=O)Nc1ccccc1SC[C@@H](C)C#N)C(=O)[O-] ZINC000817728028 597027905 /nfs/dbraw/zinc/02/79/05/597027905.db2.gz XVKGHQGJRBXTNO-FZMZJTMJSA-N -1 0 335.429 3.169 20 30 EGEDRM CC(C)c1nn(-c2ccccc2)c(Cl)c1C=NNCCC(=O)[O-] ZINC000820061236 597739181 /nfs/dbraw/zinc/73/91/81/597739181.db2.gz BKZROICYNPNLFF-UHFFFAOYSA-N -1 0 334.807 3.047 20 30 EGEDRM N#CCC[C@@H](NC(=O)NCc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000821320432 598183440 /nfs/dbraw/zinc/18/34/40/598183440.db2.gz QAUODAXMWHZZDF-QGZVFWFLSA-N -1 0 337.379 3.229 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Oc1ccc(Cl)cc1Br ZINC000819874081 598222032 /nfs/dbraw/zinc/22/20/32/598222032.db2.gz GVMQWPLHDGMCRZ-LBPRGKRZSA-N -1 0 346.564 3.012 20 30 EGEDRM CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000820344126 598224865 /nfs/dbraw/zinc/22/48/65/598224865.db2.gz QJPMZQPPQNLQPM-HNNXBMFYSA-N -1 0 343.210 3.346 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1ccccc1Oc1ccccc1 ZINC000819841648 598225526 /nfs/dbraw/zinc/22/55/26/598225526.db2.gz CCQKHWVICRDVJQ-IBGZPJMESA-N -1 0 338.363 3.100 20 30 EGEDRM CCSc1ccc(Cl)cc1NC(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000820405469 598226815 /nfs/dbraw/zinc/22/68/15/598226815.db2.gz OFCBONMWBZKPQR-AWEZNQCLSA-N -1 0 326.805 3.395 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1nc2c(ccc3c2CCCC3)s1 ZINC000819866057 598227629 /nfs/dbraw/zinc/22/76/29/598227629.db2.gz QRJXWPVIYRDRQS-QGZVFWFLSA-N -1 0 343.408 3.118 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1nc(/C=C/c2ccccc2)cs1 ZINC000819865680 598227826 /nfs/dbraw/zinc/22/78/26/598227826.db2.gz NGQBRYUSMQZUHQ-IWAYRVGRSA-N -1 0 341.392 3.257 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(OC2CCCCC2)cc1 ZINC000819855875 598227850 /nfs/dbraw/zinc/22/78/50/598227850.db2.gz DRXSKXLAJDEDTP-GOSISDBHSA-N -1 0 330.384 3.341 20 30 EGEDRM COc1ccc2cc([C@@H](C)OC(=O)[C@@](C)(C#N)CC(=O)[O-])ccc2c1 ZINC000820853661 598229355 /nfs/dbraw/zinc/22/93/55/598229355.db2.gz ORZQKNDWQPIOCE-CWTRNNRKSA-N -1 0 341.363 3.457 20 30 EGEDRM COCc1cccc(/C=C\C(=O)c2ccc(OCC(=O)[O-])cc2)c1 ZINC000831817324 600828641 /nfs/dbraw/zinc/82/86/41/600828641.db2.gz IWWKBVVULWSGMY-YHYXMXQVSA-N -1 0 326.348 3.193 20 30 EGEDRM C#CCOc1cc(F)ccc1NC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000825625454 601008048 /nfs/dbraw/zinc/00/80/48/601008048.db2.gz CQITZQBYOHTTTA-UHFFFAOYSA-N -1 0 328.299 3.180 20 30 EGEDRM C[C@@H](NC(=O)Nc1ccc(CCC(=O)[O-])cc1)c1cccc(C#N)c1 ZINC000827672302 601047759 /nfs/dbraw/zinc/04/77/59/601047759.db2.gz SHVLEHKJVVBGTL-CYBMUJFWSA-N -1 0 337.379 3.458 20 30 EGEDRM N#CCN(CC(=O)[O-])C(=O)c1ccc(Oc2ccccc2Cl)cc1 ZINC000833066330 601182332 /nfs/dbraw/zinc/18/23/32/601182332.db2.gz VFJMDOLTYXXOHX-UHFFFAOYSA-N -1 0 344.754 3.183 20 30 EGEDRM C#CCOc1ccc([C@H](C)OC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000825632321 601238929 /nfs/dbraw/zinc/23/89/29/601238929.db2.gz XOTAGMKCJCBILF-BPUTZDHNSA-N -1 0 330.380 3.194 20 30 EGEDRM N#Cc1ccc(-c2nnc(COc3cccc(NC(=O)[O-])c3)o2)cc1 ZINC000833070617 601262280 /nfs/dbraw/zinc/26/22/80/601262280.db2.gz OTYIPQPXMGYXSX-UHFFFAOYSA-N -1 0 336.307 3.277 20 30 EGEDRM Cc1csc(C2(N[C@H](C(=O)[O-])c3cccc(C#N)c3)CCC2)n1 ZINC000832989031 601304322 /nfs/dbraw/zinc/30/43/22/601304322.db2.gz QXMMHHAKRXPLQB-AWEZNQCLSA-N -1 0 327.409 3.118 20 30 EGEDRM CC(=O)Nc1cccc2c1CCCN2[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000825917758 601312156 /nfs/dbraw/zinc/31/21/56/601312156.db2.gz UZPNLTSCNGLJID-IBGZPJMESA-N -1 0 349.390 3.095 20 30 EGEDRM Cc1csc([C@H]2CCCN2[C@H](C(=O)[O-])c2cccc(C#N)c2)n1 ZINC000832989078 601313233 /nfs/dbraw/zinc/31/32/33/601313233.db2.gz GYIBRGQXXDHKOX-CABCVRRESA-N -1 0 327.409 3.286 20 30 EGEDRM N#Cc1cccc(SCc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)c1 ZINC000833074994 601319707 /nfs/dbraw/zinc/31/97/07/601319707.db2.gz IFRIXFGFOSQZDK-UHFFFAOYSA-N -1 0 337.360 3.198 20 30 EGEDRM CCOC(=O)c1oc2c(c1C)C(=O)/C(=C\c1ccc(C(=O)[O-])[nH]1)CC2 ZINC000829895154 601331401 /nfs/dbraw/zinc/33/14/01/601331401.db2.gz HKSXLLLVDGXYLU-NTMALXAHSA-N -1 0 343.335 3.004 20 30 EGEDRM CN(Cc1ccc(NC(=O)Nc2ccc(F)cc2C#N)cc1)C(=O)[O-] ZINC000830836354 601338722 /nfs/dbraw/zinc/33/87/22/601338722.db2.gz VHZBMZOLBRSERO-UHFFFAOYSA-N -1 0 342.330 3.451 20 30 EGEDRM N#Cc1cccc([C@H](OC(=O)c2ccc3ncsc3c2)C(=O)[O-])c1 ZINC000833075455 601343733 /nfs/dbraw/zinc/34/37/33/601343733.db2.gz BJZAGWSNAIPABW-HNNXBMFYSA-N -1 0 338.344 3.151 20 30 EGEDRM C=CCOc1ccc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000825699294 601348260 /nfs/dbraw/zinc/34/82/60/601348260.db2.gz VYRHYPNHVQUWAP-KRWDZBQOSA-N -1 0 337.331 3.106 20 30 EGEDRM CCO[C@H](C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1ccccc1 ZINC000829901571 601350958 /nfs/dbraw/zinc/35/09/58/601350958.db2.gz PAMNVOQZZXDSGW-SJORKVTESA-N -1 0 339.347 3.005 20 30 EGEDRM N#Cc1cccc([C@@H](OC(=O)C(F)(F)c2ccc(F)cc2)C(=O)[O-])c1 ZINC000833076550 601351391 /nfs/dbraw/zinc/35/13/91/601351391.db2.gz WUDNQQQTDRVFEH-CQSZACIVSA-N -1 0 349.264 3.158 20 30 EGEDRM N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cccc(C(=O)[O-])c1 ZINC000821320128 601426543 /nfs/dbraw/zinc/42/65/43/601426543.db2.gz JQOJTUXASQUNJU-ZWKOTPCHSA-N -1 0 334.375 3.297 20 30 EGEDRM O=C([O-])c1ccc(/C=C2\COc3ccc(Br)cc3C2=O)[nH]1 ZINC000833312577 601445890 /nfs/dbraw/zinc/44/58/90/601445890.db2.gz RHQUIHXZOIHKCD-VMPITWQZSA-N -1 0 348.152 3.134 20 30 EGEDRM C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](CC(=O)[O-])C1CC1 ZINC000827219447 601624194 /nfs/dbraw/zinc/62/41/94/601624194.db2.gz ZCDUUFOJMJOLJN-SMDDNHRTSA-N -1 0 347.440 3.456 20 30 EGEDRM C[C@H]1CN(C(=O)c2ccccc2-c2ccccc2C#N)C[C@@H]1C(=O)[O-] ZINC000828400936 601703922 /nfs/dbraw/zinc/70/39/22/601703922.db2.gz DEDIXYHAFGMIKQ-UGSOOPFHSA-N -1 0 334.375 3.018 20 30 EGEDRM N#Cc1ccccc1/C=C/C(=O)Nc1nc(CCCC(=O)[O-])cs1 ZINC000833074825 601748677 /nfs/dbraw/zinc/74/86/77/601748677.db2.gz FHNKWKZQEOKBKG-CMDGGOBGSA-N -1 0 341.392 3.074 20 30 EGEDRM C[C@@H]1CN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)C[C@H]1C(=O)[O-] ZINC000828401672 601757378 /nfs/dbraw/zinc/75/73/78/601757378.db2.gz JFIRSZXIUZAFSE-FZKQIMNGSA-N -1 0 349.390 3.095 20 30 EGEDRM Cc1c(C(=O)/C=C\c2c[nH]c(C(=O)[O-])c2)cnn1-c1ccc(F)cc1 ZINC000832849137 601793212 /nfs/dbraw/zinc/79/32/12/601793212.db2.gz YQSRHQLEMPEMBS-UQCOIBPSSA-N -1 0 339.326 3.242 20 30 EGEDRM O=C([O-])c1cc(C=NNc2ccc(F)cc2Br)c[nH]1 ZINC000814792016 601797136 /nfs/dbraw/zinc/79/71/36/601797136.db2.gz LPSFUMQGTWQEQL-UHFFFAOYSA-N -1 0 326.125 3.061 20 30 EGEDRM N#Cc1ccccc1/C=C/C(=O)Oc1ccc(SCC(=O)[O-])cc1 ZINC000833075014 601878657 /nfs/dbraw/zinc/87/86/57/601878657.db2.gz JKBQZULTPQDTIW-BJMVGYQFSA-N -1 0 339.372 3.354 20 30 EGEDRM N#C[C@H]1CCC[C@@H]1NC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000833064262 602026816 /nfs/dbraw/zinc/02/68/16/602026816.db2.gz HBTVMEYFSNQYBY-PELKAZGASA-N -1 0 341.289 3.217 20 30 EGEDRM COc1ccc2c(c1)O/C(=C/c1ccc(O[C@H](C)C(=O)[O-])cc1)C2=O ZINC000794698785 602112217 /nfs/dbraw/zinc/11/22/17/602112217.db2.gz BXUSTINIEFKOHX-LBFZPMSMSA-N -1 0 340.331 3.163 20 30 EGEDRM N#Cc1cccc(-c2nnc(CNc3cccc(F)c3C(=O)[O-])o2)c1 ZINC000833073835 602129433 /nfs/dbraw/zinc/12/94/33/602129433.db2.gz ITQSJOFFUHKOAQ-UHFFFAOYSA-N -1 0 338.298 3.058 20 30 EGEDRM COc1cc(OC)cc([C@@H](Nc2ccc(CC#N)cc2)C(=O)[O-])c1 ZINC000832067509 602164842 /nfs/dbraw/zinc/16/48/42/602164842.db2.gz QSUVIYRKGKSNQW-QGZVFWFLSA-N -1 0 326.352 3.008 20 30 EGEDRM CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000826642225 602189600 /nfs/dbraw/zinc/18/96/00/602189600.db2.gz SMZVFDJUNBLFBU-UHFFFAOYSA-N -1 0 339.351 3.444 20 30 EGEDRM CCN(CCC#N)C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000829693214 602224298 /nfs/dbraw/zinc/22/42/98/602224298.db2.gz ZULPOUHJYFKHQN-UHFFFAOYSA-N -1 0 341.367 3.071 20 30 EGEDRM CCC(CC)n1nccc1C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000828874750 604444781 /nfs/dbraw/zinc/44/47/81/604444781.db2.gz OYBKOZJKDOFWQM-INIZCTEOSA-N -1 0 341.367 3.099 20 30 EGEDRM C=CCC[C@H](Nc1cc(C)nc2nc(C(=O)[O-])nn21)c1ccccc1 ZINC000825664528 604462097 /nfs/dbraw/zinc/46/20/97/604462097.db2.gz CTEDGMCZSNYCDX-AWEZNQCLSA-N -1 0 337.383 3.250 20 30 EGEDRM C=C(C)[C@@H](CC(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1)OCC ZINC000833366940 604555305 /nfs/dbraw/zinc/55/53/05/604555305.db2.gz FZRNAUXVUKOOFK-CYBMUJFWSA-N -1 0 349.412 3.146 20 30 EGEDRM C=C(C)[C@H](CC(=O)Nc1nc2nc(C)cc(C(=O)[O-])c2s1)OCC ZINC000833367605 604555385 /nfs/dbraw/zinc/55/53/85/604555385.db2.gz OYRCYLVWJLZCOH-NSHDSACASA-N -1 0 349.412 3.008 20 30 EGEDRM N#CCOc1cc(F)ccc1NC(=O)c1cccc(NC(=O)[O-])c1 ZINC000831102628 604562273 /nfs/dbraw/zinc/56/22/73/604562273.db2.gz PHWYWOCRSMBMEK-UHFFFAOYSA-N -1 0 329.287 3.070 20 30 EGEDRM Cc1cc([C@H](C)OC(=O)Cc2ccc(OCC#N)cc2)oc1C(=O)[O-] ZINC000832872596 604585651 /nfs/dbraw/zinc/58/56/51/604585651.db2.gz RNKAMFXRZKGVCH-LBPRGKRZSA-N -1 0 343.335 3.036 20 30 EGEDRM Cc1c(CN=Nc2ccc(C(=O)[O-])cn2)sc2nc(C)nc(C)c12 ZINC000763367946 604666195 /nfs/dbraw/zinc/66/61/95/604666195.db2.gz JLCPVEMDXDHZOL-UHFFFAOYSA-N -1 0 341.396 3.156 20 30 EGEDRM COc1cccc(C=Nc2ccc(OCC(=O)[O-])c(Cl)c2)c1O ZINC000832545950 604792897 /nfs/dbraw/zinc/79/28/97/604792897.db2.gz QISCCANPJSHVKV-UHFFFAOYSA-N -1 0 335.743 3.268 20 30 EGEDRM CC(N=Nc1ccc(C(=O)[O-])cn1)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000763369512 604943250 /nfs/dbraw/zinc/94/32/50/604943250.db2.gz VHXZSBOPXHGGFX-NSHDSACASA-N -1 0 342.355 3.355 20 30 EGEDRM C[C@H](C(=O)[O-])n1cccc1CN=Nc1ccc([N+](=O)[O-])cc1Cl ZINC000833406021 605039822 /nfs/dbraw/zinc/03/98/22/605039822.db2.gz KCARNKCGJDMAOE-SECBINFHSA-N -1 0 336.735 3.141 20 30 EGEDRM Cc1ccc(C#N)c(N2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)n1 ZINC000833747523 605157676 /nfs/dbraw/zinc/15/76/76/605157676.db2.gz SZMPCLVPZLGBIK-UHFFFAOYSA-N -1 0 332.363 3.004 20 30 EGEDRM Cc1cc2c(c(F)c1)NC(=O)C2=NNc1ccc(C(=O)[O-])c(Cl)c1 ZINC000833744454 605159681 /nfs/dbraw/zinc/15/96/81/605159681.db2.gz AREROXRPIKHBIC-UHFFFAOYSA-N -1 0 347.733 3.254 20 30 EGEDRM C[C@@H](Oc1ccc(/C=C/C(=O)c2ccc(C#N)c(F)c2)cc1)C(=O)[O-] ZINC000794715392 605201154 /nfs/dbraw/zinc/20/11/54/605201154.db2.gz XMMBRAZYNTZRGP-OXFRDRNISA-N -1 0 339.322 3.445 20 30 EGEDRM C=CCCO[C@H](C)C(=O)O[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000833373897 605505301 /nfs/dbraw/zinc/50/53/01/605505301.db2.gz IJUQTADURBXZBK-NOZJJQNGSA-N -1 0 330.739 3.129 20 30 EGEDRM CC1=CCC[C@H](C)[C@H]1CN=Nc1oc(C(C)C)nc1-c1nnn[n-]1 ZINC000824852628 608290053 /nfs/dbraw/zinc/29/00/53/608290053.db2.gz OSXCPCWUFZQIRA-RYUDHWBXSA-N -1 0 329.408 3.368 20 30 EGEDRM COc1ccc(OC)c(C(=O)/C=C\c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000033474259 1291386544 /nfs/dbraw/zinc/38/65/44/1291386544.db2.gz DASFVUWDDNODBZ-UTCJRWHESA-N -1 0 329.308 3.214 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)c2cccnc2Cl)cc1Cl ZINC000035186257 1291392044 /nfs/dbraw/zinc/39/20/44/1291392044.db2.gz JTPGJVUGYUDJAJ-UHFFFAOYSA-N -1 0 328.180 3.061 20 30 EGEDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)Cc1ccc2c(c1)CCC2 ZINC000042242025 1291437456 /nfs/dbraw/zinc/43/74/56/1291437456.db2.gz CSRPDPCMEXRVNG-UHFFFAOYSA-N -1 0 329.421 3.372 20 30 EGEDRM O=C([N-]S(=O)(=O)c1cccs1)c1cc2c(s1)CCCC2 ZINC000042243061 1291437549 /nfs/dbraw/zinc/43/75/49/1291437549.db2.gz BITGSLAHIVLKGV-UHFFFAOYSA-N -1 0 327.452 3.382 20 30 EGEDRM COc1ccc(C(=O)[N-]S(=O)(=O)C=Cc2ccccc2)cc1F ZINC000042319399 1291440471 /nfs/dbraw/zinc/44/04/71/1291440471.db2.gz OLYJMPVFLUTWMX-MDZDMXLPSA-N -1 0 335.356 3.140 20 30 EGEDRM CCCCS(=O)(=O)[N-]C(=O)CCc1c(C)nn(CC(C)C)c1C ZINC000042343598 1291441580 /nfs/dbraw/zinc/44/15/80/1291441580.db2.gz LLQCPQQSQQMCTB-UHFFFAOYSA-N -1 0 343.493 3.175 20 30 EGEDRM CCCCS(=O)(=O)[N-]C(=O)c1ccc(OC(F)(F)F)cc1 ZINC000042344431 1291441617 /nfs/dbraw/zinc/44/16/17/1291441617.db2.gz DWVHCZFFCQEAGQ-UHFFFAOYSA-N -1 0 325.308 3.020 20 30 EGEDRM Cc1nc(SCC(=O)[N-]OCc2ccccc2)c(C#N)c(C)c1C ZINC000044203423 1291479330 /nfs/dbraw/zinc/47/93/30/1291479330.db2.gz DHZDVIKSVJYNFJ-UHFFFAOYSA-N -1 0 341.436 3.219 20 30 EGEDRM CCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000046927680 1291556920 /nfs/dbraw/zinc/55/69/20/1291556920.db2.gz VFCGMRVYBTVMSZ-LLVKDONJSA-N -1 0 328.390 3.456 20 30 EGEDRM COc1ccc(CCC(=O)[N-]S(=O)(=O)c2ccccc2C)cc1 ZINC000046928086 1291558121 /nfs/dbraw/zinc/55/81/21/1291558121.db2.gz VSWQTNJMFYRTRH-UHFFFAOYSA-N -1 0 333.409 3.282 20 30 EGEDRM O=C(C[C@H]1CCCO1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000048409287 1291603628 /nfs/dbraw/zinc/60/36/28/1291603628.db2.gz YHVAAPMYKHTZDR-SECBINFHSA-N -1 0 338.212 3.208 20 30 EGEDRM CC(=CC(=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000048424156 1291604720 /nfs/dbraw/zinc/60/47/20/1291604720.db2.gz PIASBIPDMPIKEC-SOFGYWHQSA-N -1 0 344.776 3.250 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)Oc2cccc(F)c2)cc1 ZINC000048422599 1291604986 /nfs/dbraw/zinc/60/49/86/1291604986.db2.gz BQWBPMOCBGUPQY-GFCCVEGCSA-N -1 0 337.372 3.247 20 30 EGEDRM COCCCC(=O)[N-]S(=O)(=O)c1cc(C(C)(C)C)ccc1C ZINC000048471758 1291605715 /nfs/dbraw/zinc/60/57/15/1291605715.db2.gz YHJYCJAHCLYALA-UHFFFAOYSA-N -1 0 327.446 3.364 20 30 EGEDRM Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)[N-]S(C)(=O)=O ZINC000048480832 1291606380 /nfs/dbraw/zinc/60/63/80/1291606380.db2.gz LCJXWELZFKHDGP-UHFFFAOYSA-N -1 0 349.195 3.221 20 30 EGEDRM Cc1ccc(Br)cc1S(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H]1C ZINC000048487549 1291606884 /nfs/dbraw/zinc/60/68/84/1291606884.db2.gz SQMHYGMFYVCERU-WCBMZHEXSA-N -1 0 332.219 3.059 20 30 EGEDRM CC(=CC(=O)[N-]S(=O)(=O)c1cc(C)c(C)c([N+](=O)[O-])c1)C1CC1 ZINC000048505015 1291607752 /nfs/dbraw/zinc/60/77/52/1291607752.db2.gz MBYCAUSBZUZCAR-YFHOEESVSA-N -1 0 338.385 3.213 20 30 EGEDRM COCc1ccccc1C(=O)[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000048496351 1291608136 /nfs/dbraw/zinc/60/81/36/1291608136.db2.gz IUTGIXTVSBDGNP-UHFFFAOYSA-N -1 0 339.800 3.180 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)CCc2ccc(Cl)cc2)cc1 ZINC000048503120 1291608185 /nfs/dbraw/zinc/60/81/85/1291608185.db2.gz MQDZDJPMSSFKJH-UHFFFAOYSA-N -1 0 348.811 3.490 20 30 EGEDRM CCCCS(=O)(=O)[N-]C(=O)c1csc(-c2cccs2)n1 ZINC000048518577 1291608848 /nfs/dbraw/zinc/60/88/48/1291608848.db2.gz ZDWFTDRNOXTUEU-UHFFFAOYSA-N -1 0 330.456 3.306 20 30 EGEDRM CC[C@@H](C)c1ccccc1OCC(=O)[N-]S(=O)(=O)c1cccnc1 ZINC000048532370 1291610552 /nfs/dbraw/zinc/61/05/52/1291610552.db2.gz NHFCLIIKHZHVKS-CYBMUJFWSA-N -1 0 348.424 3.319 20 30 EGEDRM CCCCS(=O)(=O)[N-]C(=O)c1cc(-c2ccccc2Cl)n[nH]1 ZINC000048554365 1291611589 /nfs/dbraw/zinc/61/15/89/1291611589.db2.gz IZEXHMRHTSAHBQ-UHFFFAOYSA-N -1 0 341.820 3.165 20 30 EGEDRM O=C(CCc1ccc(-c2ccccc2)o1)[N-]S(=O)(=O)N1CCCC1 ZINC000052793683 1291712827 /nfs/dbraw/zinc/71/28/27/1291712827.db2.gz ACKQHRYQXYZUHG-UHFFFAOYSA-N -1 0 348.424 3.176 20 30 EGEDRM COc1ccccc1C(=O)[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000058040122 1291875207 /nfs/dbraw/zinc/87/52/07/1291875207.db2.gz QYGJOFBNSBLPSU-UHFFFAOYSA-N -1 0 343.404 3.317 20 30 EGEDRM COc1cc(CC(=O)[N-]S(=O)(=O)C2CCCCC2)ccc1C ZINC000058075049 1291876252 /nfs/dbraw/zinc/87/62/52/1291876252.db2.gz DYMJCBZLCCUOST-UHFFFAOYSA-N -1 0 325.430 3.165 20 30 EGEDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)c1cnc(C(C)(C)C)s1 ZINC000063234070 1292003237 /nfs/dbraw/zinc/00/32/37/1292003237.db2.gz YZIJRJIOCKTCAV-UHFFFAOYSA-N -1 0 338.454 3.443 20 30 EGEDRM Cc1c(C(=O)[N-]S(=O)(=O)c2cccnc2)oc2c1c(C)ccc2C ZINC000066002916 1292103857 /nfs/dbraw/zinc/10/38/57/1292103857.db2.gz FCKUIYGZAGNZRR-UHFFFAOYSA-N -1 0 344.392 3.447 20 30 EGEDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)CO[C@H]1CCCC[C@H]1C ZINC000073086771 1292304629 /nfs/dbraw/zinc/30/46/29/1292304629.db2.gz IAQBNLZNXUFGJF-OCCSQVGLSA-N -1 0 325.430 3.236 20 30 EGEDRM CCCCCCOc1ccc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)cc1 ZINC000075555625 1292398787 /nfs/dbraw/zinc/39/87/87/1292398787.db2.gz JPGJDIBSEPASJS-UHFFFAOYSA-N -1 0 337.383 3.364 20 30 EGEDRM C[C@H]1CC[C@H](CCC(=O)[N-]S(=O)(=O)c2ccc(Cl)s2)O1 ZINC000076757332 1292440222 /nfs/dbraw/zinc/44/02/22/1292440222.db2.gz SLDLESKDRXHAOS-DTWKUNHWSA-N -1 0 337.850 3.394 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)C2=Cc3ccccc3OC2)c(C)c1 ZINC000077943231 1292490904 /nfs/dbraw/zinc/49/09/04/1292490904.db2.gz NFJYSJAOXBLOOT-UHFFFAOYSA-N -1 0 343.404 3.425 20 30 EGEDRM CC(C)CC(C)(C)C(=O)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000084692925 1292709202 /nfs/dbraw/zinc/70/92/02/1292709202.db2.gz HLIKFUBTSOPPJU-UHFFFAOYSA-N -1 0 346.380 3.451 20 30 EGEDRM O=C([N-]S(=O)(=O)C1CCCC1)c1ccccc1Oc1cccnc1 ZINC000086054510 1292727310 /nfs/dbraw/zinc/72/73/10/1292727310.db2.gz UBQSZBWTLNFIDS-UHFFFAOYSA-N -1 0 346.408 3.451 20 30 EGEDRM COc1ccc(C(=O)/C=C\c2ccccc2[N+](=O)[O-])cc1CC(=O)[O-] ZINC000096814799 1292953424 /nfs/dbraw/zinc/95/34/24/1292953424.db2.gz FNTMMSQFRLRIPT-VURMDHGXSA-N -1 0 341.319 3.127 20 30 EGEDRM COc1cc(/C=C2\CCOc3ccccc3C2=O)cc([N+](=O)[O-])c1[O-] ZINC000102971159 1292989168 /nfs/dbraw/zinc/98/91/68/1292989168.db2.gz RSJPQZNKUJMIKY-XYOKQWHBSA-N -1 0 341.319 3.358 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2csc(-c3ccsc3)n2)C(=O)O1 ZINC000103755935 1293013689 /nfs/dbraw/zinc/01/36/89/1293013689.db2.gz IDHNCLZVIKBVIY-BAABZTOOSA-N -1 0 345.401 3.100 20 30 EGEDRM COc1cc(/C=C2\Cc3cc(F)ccc3C2=O)cc([N+](=O)[O-])c1[O-] ZINC000114992365 1293181144 /nfs/dbraw/zinc/18/11/44/1293181144.db2.gz JNBMJPJCQNRKIR-NYYWCZLTSA-N -1 0 329.283 3.271 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cnc(C(C)(C)C)s1 ZINC000119891153 1293292269 /nfs/dbraw/zinc/29/22/69/1293292269.db2.gz HESHODCLIBEFEK-GFCCVEGCSA-N -1 0 335.473 3.460 20 30 EGEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1sc2ccccc2c1Cl ZINC000122994838 1293431724 /nfs/dbraw/zinc/43/17/24/1293431724.db2.gz PBXATFINLHCPAO-JTQLQIEISA-N -1 0 343.795 3.494 20 30 EGEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)CCCCCc1cccs1 ZINC000123229585 1293437495 /nfs/dbraw/zinc/43/74/95/1293437495.db2.gz YGZGZDQNMXJJOR-AWEZNQCLSA-N -1 0 329.425 3.176 20 30 EGEDRM Cc1cc2cc(C(=O)[C@H](C#N)C(=O)Nc3ccccn3)oc2cc1C ZINC000123466096 1293444423 /nfs/dbraw/zinc/44/44/23/1293444423.db2.gz DLSNJKFYBUOKJF-AWEZNQCLSA-N -1 0 333.347 3.406 20 30 EGEDRM CCCCCCCCC(=O)[N-]S(=O)(=O)c1cn(C)c(C(C)C)n1 ZINC000836137366 1293451591 /nfs/dbraw/zinc/45/15/91/1293451591.db2.gz MTAPLGCNRHLNMK-UHFFFAOYSA-N -1 0 343.493 3.099 20 30 EGEDRM Cc1csc(-c2cccc(C([O-])=C(C#N)C(=O)N3CCCC3)c2)n1 ZINC000123898417 1293459460 /nfs/dbraw/zinc/45/94/60/1293459460.db2.gz QNDDSDCEDMIYLF-HNNXBMFYSA-N -1 0 339.420 3.063 20 30 EGEDRM C=CCNC(=O)C(C#N)=C([O-])c1cnc(-c2ccccc2Cl)s1 ZINC000140329099 1293850188 /nfs/dbraw/zinc/85/01/88/1293850188.db2.gz KAPBPPBJBXTKRF-NSHDSACASA-N -1 0 345.811 3.088 20 30 EGEDRM CCCCCCCC(=O)[N-]S(=O)(=O)c1cn(C)c2ccccc12 ZINC000158309961 1294201828 /nfs/dbraw/zinc/20/18/28/1294201828.db2.gz BNDNZXNRACNCQQ-UHFFFAOYSA-N -1 0 336.457 3.344 20 30 EGEDRM CN(C)c1cccc(C/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])n1 ZINC000162336446 1294313307 /nfs/dbraw/zinc/31/33/07/1294313307.db2.gz VYHGMVLVDPZPNG-CAOOACKPSA-N -1 0 334.763 3.034 20 30 EGEDRM N#CC(C(=O)Nc1ccccc1)=C([O-])c1occc1Br ZINC000176091683 1294590206 /nfs/dbraw/zinc/59/02/06/1294590206.db2.gz VVUFMLIMQVILPC-JTQLQIEISA-N -1 0 333.141 3.003 20 30 EGEDRM CSc1ccc(O[C@@H](C)C(=O)Nc2cc(C#N)ccc2[O-])cc1 ZINC000176402718 1294603802 /nfs/dbraw/zinc/60/38/02/1294603802.db2.gz FZOYMXISQBFBRE-NSHDSACASA-N -1 0 328.393 3.392 20 30 EGEDRM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)Nc1cc(C#N)ccc1[O-] ZINC000176818424 1294634418 /nfs/dbraw/zinc/63/44/18/1294634418.db2.gz MLWIOSAEXGIXIV-SECBINFHSA-N -1 0 334.734 3.462 20 30 EGEDRM CCc1c(C(=O)Nc2cc(C#N)ccc2[O-])cnn1Cc1ccccc1 ZINC000179740162 1294821808 /nfs/dbraw/zinc/82/18/08/1294821808.db2.gz CSQCFCLSDNCTSQ-UHFFFAOYSA-N -1 0 346.390 3.323 20 30 EGEDRM COc1cc(/C=C/C(=O)c2ccc(C)o2)ccc1OCCC(=O)[O-] ZINC000181675057 1294983603 /nfs/dbraw/zinc/98/36/03/1294983603.db2.gz QXABBWWMYJEIGD-GQCTYLIASA-N -1 0 330.336 3.346 20 30 EGEDRM COc1ccc(S(=O)(=O)[N-]c2ccccc2O[C@H](C)C#N)cc1C ZINC000183134150 1295101875 /nfs/dbraw/zinc/10/18/75/1295101875.db2.gz ALDVUZCMJLUGBJ-CYBMUJFWSA-N -1 0 346.408 3.095 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)c1ccc2c(c1)nc(C)n2-c1ccccc1 ZINC000191269552 1295665923 /nfs/dbraw/zinc/66/59/23/1295665923.db2.gz YVMNFLLJTMPXJU-UHFFFAOYSA-N -1 0 349.390 3.047 20 30 EGEDRM COc1ccccc1-c1ccc(C([O-])=C(C#N)C(=O)NC(C)C)s1 ZINC000870142754 1295699680 /nfs/dbraw/zinc/69/96/80/1295699680.db2.gz MHSBQOGSSYVOBP-CYBMUJFWSA-N -1 0 342.420 3.271 20 30 EGEDRM COc1ccc(OC)c(C(=O)/C=C\c2ccc([N+](=O)[O-])c([O-])c2)c1 ZINC000255031152 1296489346 /nfs/dbraw/zinc/48/93/46/1296489346.db2.gz PSXMBNQIYQAUDX-DAXSKMNVSA-N -1 0 329.308 3.214 20 30 EGEDRM COc1cc(/C=C\C(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc(OC)c1 ZINC000255656943 1296556941 /nfs/dbraw/zinc/55/69/41/1296556941.db2.gz OGSKAJMJCZLDGW-HYXAFXHYSA-N -1 0 329.308 3.214 20 30 EGEDRM O=C(/C=C\c1cn2cc(Cl)ccc2n1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000255882828 1296574560 /nfs/dbraw/zinc/57/45/60/1296574560.db2.gz CHRSMRUIFANOGJ-HYXAFXHYSA-N -1 0 343.726 3.498 20 30 EGEDRM C=CCC[C@H](NC(=O)c1ccc(OC)c(OC2CCCC2)c1)C(=O)[O-] ZINC000263026478 1296655732 /nfs/dbraw/zinc/65/57/32/1296655732.db2.gz YNBGDNSSVRCPGD-HNNXBMFYSA-N -1 0 347.411 3.166 20 30 EGEDRM C=CCC[C@@H](NC(=O)Nc1cc(Br)ccc1C)C(=O)[O-] ZINC000316066437 1297140571 /nfs/dbraw/zinc/14/05/71/1297140571.db2.gz MZCCSQYHBCDRBK-LLVKDONJSA-N -1 0 341.205 3.298 20 30 EGEDRM C=CC[C@H]1CCCN(C(=O)CC2(C(=O)[O-])Cc3ccccc3C2)C1 ZINC000872982836 1297204750 /nfs/dbraw/zinc/20/47/50/1297204750.db2.gz ZTTCRKUOLGTQAV-HNNXBMFYSA-N -1 0 327.424 3.061 20 30 EGEDRM Cc1nc(-c2ccc(C)cc2)sc1C([O-])=C(C#N)C(=O)NC(C)C ZINC000873498687 1297544134 /nfs/dbraw/zinc/54/41/34/1297544134.db2.gz SRTYKHVHOFMFSU-AWEZNQCLSA-N -1 0 341.436 3.274 20 30 EGEDRM Cn1cc(/C=C\C(=O)c2ccc(O)cc2[O-])c(-c2ccc(C#N)cc2)n1 ZINC000588394322 1298055621 /nfs/dbraw/zinc/05/56/21/1298055621.db2.gz GZMAXUPAYKVFFV-TWGQIWQCSA-N -1 0 345.358 3.266 20 30 EGEDRM Cc1cc(C(F)(F)F)ccc1C=CC([O-])=C1C(=O)C=C(C)OC1=O ZINC000588553318 1298083002 /nfs/dbraw/zinc/08/30/02/1298083002.db2.gz QQEQADGNOSGVNQ-ZDTYVGOBSA-N -1 0 338.281 3.242 20 30 EGEDRM CCOc1cc(C#N)cc(-c2ccc(C=O)c(F)c2)c1OCC(=O)[O-] ZINC000874973375 1298185525 /nfs/dbraw/zinc/18/55/25/1298185525.db2.gz VBARLIYREIPULP-UHFFFAOYSA-N -1 0 343.310 3.039 20 30 EGEDRM CNC(=O)C(C#N)=C([O-])c1ccc(Oc2ccccc2Cl)cc1 ZINC000747108839 1298730228 /nfs/dbraw/zinc/73/02/28/1298730228.db2.gz KPIVEELNBCCLGC-CYBMUJFWSA-N -1 0 328.755 3.201 20 30 EGEDRM Cc1cc(=O)[n-]c(N=NC[C@@H](C)c2cccc(Br)c2)n1 ZINC000747623413 1298810378 /nfs/dbraw/zinc/81/03/78/1298810378.db2.gz BVGQVQWAFDURNW-SECBINFHSA-N -1 0 335.205 3.455 20 30 EGEDRM O=C([O-])CCOc1cccc(/C=C2/Oc3ccc(F)cc3C2=O)c1 ZINC000749744917 1299263286 /nfs/dbraw/zinc/26/32/86/1299263286.db2.gz BQSAWNAFRUOYSH-CXUHLZMHSA-N -1 0 328.295 3.295 20 30 EGEDRM COc1cc(/C=C/C(=O)c2coc(C(C)C)n2)cc([N+](=O)[O-])c1[O-] ZINC000752888613 1299813356 /nfs/dbraw/zinc/81/33/56/1299813356.db2.gz MYDGOGGXTDWWOW-SNAWJCMRSA-N -1 0 332.312 3.317 20 30 EGEDRM CN(N=Cc1cccc(Cl)c1[O-])C(=S)NCc1ccccc1 ZINC000753162227 1299886519 /nfs/dbraw/zinc/88/65/19/1299886519.db2.gz VWOFDZBKYMIHCG-UHFFFAOYSA-N -1 0 333.844 3.386 20 30 EGEDRM COCCOc1ccc(C#N)cc1NC(=O)c1cccc(Cl)c1[O-] ZINC000753283813 1299909393 /nfs/dbraw/zinc/90/93/93/1299909393.db2.gz NITBBYBESMPFSO-UHFFFAOYSA-N -1 0 346.770 3.195 20 30 EGEDRM Cc1cc(=O)[n-]c(N=NC2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000753690851 1300005712 /nfs/dbraw/zinc/00/57/12/1300005712.db2.gz GUEJVGBSPSYBSU-GFCCVEGCSA-N -1 0 341.371 3.210 20 30 EGEDRM O=c1c2ccccc2[n-]c(=S)n1N=Cc1cc(Cl)ccc1F ZINC000753694549 1300005820 /nfs/dbraw/zinc/00/58/20/1300005820.db2.gz GLOOHIKQMFUPQZ-UHFFFAOYSA-N -1 0 333.775 3.360 20 30 EGEDRM Cc1cc(O)cc2c1C(=O)C(=N[N-]c1nc(C(F)(F)F)cs1)O2 ZINC000755902291 1300412541 /nfs/dbraw/zinc/41/25/41/1300412541.db2.gz CGVQOYZZWQDPPX-UHFFFAOYSA-N -1 0 343.286 3.177 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1N=NC(C)c1ccc2c(c1)COC2 ZINC000756905706 1300586833 /nfs/dbraw/zinc/58/68/33/1300586833.db2.gz GAUPRNYFPKKUGS-UHFFFAOYSA-N -1 0 326.352 3.260 20 30 EGEDRM COc1ccc(O)c(C(=O)/C=C/c2ccc(OCCC(=O)[O-])cc2)c1 ZINC000757467753 1300673065 /nfs/dbraw/zinc/67/30/65/1300673065.db2.gz JTOWUUZCVPTHOQ-XBXARRHUSA-N -1 0 342.347 3.150 20 30 EGEDRM O=C(/C=C\c1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccc(F)cc1[O-] ZINC000757475370 1300675499 /nfs/dbraw/zinc/67/54/99/1300675499.db2.gz JOIPCCZFUPHUNP-RJRFIUFISA-N -1 0 345.282 3.107 20 30 EGEDRM COC(=O)[C@H](C)Oc1ccc(/C=C/C(=O)c2cc(F)ccc2[O-])cc1 ZINC000758432445 1300882936 /nfs/dbraw/zinc/88/29/36/1300882936.db2.gz AYWXFDKSXKTDSL-LHXVZLOVSA-N -1 0 344.338 3.368 20 30 EGEDRM O=C([O-])c1ccoc1COc1ccc(C=NOCC(F)F)cc1 ZINC000758900215 1300974748 /nfs/dbraw/zinc/97/47/48/1300974748.db2.gz SDLNZFGMJCHWPC-UHFFFAOYSA-N -1 0 325.267 3.172 20 30 EGEDRM C[C@@H](C#N)Oc1ccc(/C=C/C(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000759088582 1301012077 /nfs/dbraw/zinc/01/20/77/1301012077.db2.gz BUAFRHGMHBWSFQ-GXWOQWCDSA-N -1 0 338.319 3.487 20 30 EGEDRM CCCCCC(=O)C(C#N)=C([O-])c1c(C)[nH]c(C)c1C(=O)OCC ZINC000759235428 1301046505 /nfs/dbraw/zinc/04/65/05/1301046505.db2.gz DCHDDYHFIKPRBK-ZDUSSCGKSA-N -1 0 332.400 3.280 20 30 EGEDRM O=C(OCC#Cc1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])[n-]1 ZINC000760308090 1301250183 /nfs/dbraw/zinc/25/01/83/1301250183.db2.gz SGVUJJHFLCBFOI-UHFFFAOYSA-N -1 0 339.134 3.438 20 30 EGEDRM CC(C)OCCCNC(=O)C(C#N)=C([O-])c1ccc2sccc2c1 ZINC000761026960 1301384405 /nfs/dbraw/zinc/38/44/05/1301384405.db2.gz XRWZFORLJTVBBL-HNNXBMFYSA-N -1 0 344.436 3.155 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)c2c(Cl)ccnc2Cl)cc1 ZINC000766892766 1302540506 /nfs/dbraw/zinc/54/05/06/1302540506.db2.gz TXXUNCCQATZULS-UHFFFAOYSA-N -1 0 328.180 3.061 20 30 EGEDRM O=C([O-])Cc1ccc(C(=O)/C=C/c2cncc(Br)c2)cc1 ZINC000767361532 1302650474 /nfs/dbraw/zinc/65/04/74/1302650474.db2.gz YILHEGZRYLILBU-ZZXKWVIFSA-N -1 0 346.180 3.367 20 30 EGEDRM C#C[C@@H](CC)OC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000768046247 1302810964 /nfs/dbraw/zinc/81/09/64/1302810964.db2.gz AUEBJUXTQOWHDY-AWEZNQCLSA-N -1 0 349.433 3.118 20 30 EGEDRM CC(=NNc1ccc(F)c([N+](=O)[O-])c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000769823621 1303180839 /nfs/dbraw/zinc/18/08/39/1303180839.db2.gz YTVMKXGYRMJBNZ-UHFFFAOYSA-N -1 0 334.263 3.184 20 30 EGEDRM CC(=NNc1ccc(F)c([N+](=O)[O-])c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000769830417 1303182024 /nfs/dbraw/zinc/18/20/24/1303182024.db2.gz ZSGGQEGRIGTQPF-UHFFFAOYSA-N -1 0 334.263 3.184 20 30 EGEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc2c(c1)-c1ccccc1C2 ZINC000770876594 1303324389 /nfs/dbraw/zinc/32/43/89/1303324389.db2.gz NSCIUGGJAULHQK-SFHVURJKSA-N -1 0 341.370 3.197 20 30 EGEDRM COc1ccc(C(=O)/C=C/c2ccc(C#N)cc2F)cc1CC(=O)[O-] ZINC000772796675 1303577047 /nfs/dbraw/zinc/57/70/47/1303577047.db2.gz JVLPBBKJGUNETE-GQCTYLIASA-N -1 0 339.322 3.229 20 30 EGEDRM N#CC=C([O-])N=c1sccn1Cc1ccc(Cl)cc1Cl ZINC000772832559 1303583757 /nfs/dbraw/zinc/58/37/57/1303583757.db2.gz YSLVDCLAAYJUIZ-UHFFFAOYSA-N -1 0 326.208 3.246 20 30 EGEDRM Cc1nc(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)sc1C ZINC000774260358 1303791188 /nfs/dbraw/zinc/79/11/88/1303791188.db2.gz SWGKYTPQOYWJEC-CYBMUJFWSA-N -1 0 347.827 3.052 20 30 EGEDRM C#CCOc1ccccc1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000775297976 1303936382 /nfs/dbraw/zinc/93/63/82/1303936382.db2.gz GQRYGXFYBLYTBH-UHFFFAOYSA-N -1 0 339.775 3.292 20 30 EGEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)[C@@H]1CC[C@@H](C)C1 ZINC000776511435 1304167222 /nfs/dbraw/zinc/16/72/22/1304167222.db2.gz MBDFDJCHAGBXDV-LERXQTSPSA-N -1 0 344.411 3.136 20 30 EGEDRM Cn1c2ccc(Cl)cc2nc1C/N=C/c1cc([N+](=O)[O-])ccc1[O-] ZINC000777401222 1304290595 /nfs/dbraw/zinc/29/05/95/1304290595.db2.gz MHLOTYSAMHYNER-QGMBQPNBSA-N -1 0 344.758 3.460 20 30 EGEDRM O=C1c2ccc(F)cc2OCC/C1=C/c1cc([O-])ccc1[N+](=O)[O-] ZINC000781554360 1304841179 /nfs/dbraw/zinc/84/11/79/1304841179.db2.gz NJJYJNZFSSTJCT-YFHOEESVSA-N -1 0 329.283 3.488 20 30 EGEDRM O=C([O-])c1csc(/C=C\C(=O)c2ccc3c(c2)CCC(=O)N3)c1 ZINC000782201101 1304930282 /nfs/dbraw/zinc/93/02/82/1304930282.db2.gz PKOLAIFLBHBGFG-HYXAFXHYSA-N -1 0 327.361 3.227 20 30 EGEDRM CC1(CN=Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)CC1 ZINC000782243452 1304938945 /nfs/dbraw/zinc/93/89/45/1304938945.db2.gz VPDGOXSTDSBSQS-UHFFFAOYSA-N -1 0 336.442 3.142 20 30 EGEDRM C#Cc1cccc(N(CC)C(=O)c2nn(-c3cccc(F)c3)cc2[O-])c1 ZINC000786084033 1305509287 /nfs/dbraw/zinc/50/92/87/1305509287.db2.gz XVCHDUXGGIHUGX-UHFFFAOYSA-N -1 0 349.365 3.365 20 30 EGEDRM Cc1ccc(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)cc1F ZINC000786534408 1305591495 /nfs/dbraw/zinc/59/14/95/1305591495.db2.gz KUMBPAWVCNHGKF-OAHLLOKOSA-N -1 0 344.773 3.426 20 30 EGEDRM CC(=NOC[C@@H]1CCOC1)c1cc(Br)c(F)cc1[O-] ZINC000788032600 1305851429 /nfs/dbraw/zinc/85/14/29/1305851429.db2.gz UZQIOWKYRQLMGT-SECBINFHSA-N -1 0 332.169 3.071 20 30 EGEDRM COCCN(C)c1ccc(/C=C/C(=O)c2cc(Cl)ccc2[O-])cn1 ZINC000790222373 1306278289 /nfs/dbraw/zinc/27/82/89/1306278289.db2.gz PIYCRWLMURVUJE-ZZXKWVIFSA-N -1 0 346.814 3.419 20 30 EGEDRM N#Cc1c([N-]S(=O)(=O)C=Cc2ccccc2Cl)n[nH]c1C1CC1 ZINC000792662710 1309204083 /nfs/dbraw/zinc/20/40/83/1309204083.db2.gz YHUAXYRTMPQPSO-BQYQJAHWSA-N -1 0 348.815 3.225 20 30 EGEDRM CC[C@H](NN=Cc1ccc(OCc2ccc(C)cc2)cc1)C(=O)[O-] ZINC000793072014 1309290911 /nfs/dbraw/zinc/29/09/11/1309290911.db2.gz NTUIBCDDAQMVJF-SFHVURJKSA-N -1 0 326.396 3.361 20 30 EGEDRM CC[C@H](C)CON=Cc1cc(Br)ccc1OCC(=O)[O-] ZINC000793159169 1309306846 /nfs/dbraw/zinc/30/68/46/1309306846.db2.gz LHIPRTVVFBYKSV-JTQLQIEISA-N -1 0 344.205 3.309 20 30 EGEDRM COc1ccc(F)c2[nH]c(C(=O)Nc3cc(C#N)ccc3[O-])cc21 ZINC000793736610 1309433528 /nfs/dbraw/zinc/43/35/28/1309433528.db2.gz ZDWHCVSCDATLQI-UHFFFAOYSA-N -1 0 325.299 3.145 20 30 EGEDRM COc1cc(OC)c(/C=C/C(=O)c2ccc(O)cc2[O-])c(OC)c1 ZINC000794703249 1309577296 /nfs/dbraw/zinc/57/72/96/1309577296.db2.gz UESUNKIGVUSUHJ-VOTSOKGWSA-N -1 0 330.336 3.020 20 30 EGEDRM C[C@@H](Oc1ccc(/C=C2\Oc3cc(F)ccc3C2=O)cc1)C(=O)[O-] ZINC000794712779 1309579601 /nfs/dbraw/zinc/57/96/01/1309579601.db2.gz KYAWYBSSEBZVCY-NUEDXCKTSA-N -1 0 328.295 3.294 20 30 EGEDRM O=C([O-])CCOc1ccc(/C=C2/COc3cc(F)ccc3C2=O)cc1 ZINC000794727734 1309584202 /nfs/dbraw/zinc/58/42/02/1309584202.db2.gz JFLBVTVWMMEMLW-LCYFTJDESA-N -1 0 342.322 3.338 20 30 EGEDRM Cc1cc(C)c(C(=O)[O-])cc1/C=C\C(=O)c1ccccc1-n1ccnn1 ZINC000794740872 1309587456 /nfs/dbraw/zinc/58/74/56/1309587456.db2.gz VLNMANLTCRCKPR-FPLPWBNLSA-N -1 0 347.374 3.478 20 30 EGEDRM CC(C)OC(=O)CC[C@H](C)/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000794832418 1309602996 /nfs/dbraw/zinc/60/29/96/1309602996.db2.gz IOYYMTXCSRPXIF-QBHXNYKNSA-N -1 0 342.779 3.493 20 30 EGEDRM CCC[C@](C)(CC)C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000796690420 1310066429 /nfs/dbraw/zinc/06/64/29/1310066429.db2.gz PRDAFSWPNCGXIV-HNNXBMFYSA-N -1 0 342.848 3.233 20 30 EGEDRM N#CC(C(=O)Nc1ccc(Cl)cc1Cl)=C([O-])c1ccc(C#N)o1 ZINC000796747984 1310078201 /nfs/dbraw/zinc/07/82/01/1310078201.db2.gz SNUGRWKYHJYGCB-SNVBAGLBSA-N -1 0 348.145 3.419 20 30 EGEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1cnc2c(F)cccc2c1 ZINC000796749542 1310079953 /nfs/dbraw/zinc/07/99/53/1310079953.db2.gz VQVZHMATYHKMMY-MRXNPFEDSA-N -1 0 347.349 3.013 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2cnc(Cl)cc2C#N)cc(C)c1F ZINC000798210635 1310318344 /nfs/dbraw/zinc/31/83/44/1310318344.db2.gz COHZSWLUHIKCNO-UHFFFAOYSA-N -1 0 339.779 3.163 20 30 EGEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1ccc(C)c(C#N)c1)c1ccccc1 ZINC000799626983 1310590430 /nfs/dbraw/zinc/59/04/30/1310590430.db2.gz MEBLPJYYMHCAIU-RBUKOAKNSA-N -1 0 345.402 3.457 20 30 EGEDRM O=C([O-])Cn1cc(CN=Nc2cc(Cl)ccn2)c2ccccc21 ZINC000799884143 1310632618 /nfs/dbraw/zinc/63/26/18/1310632618.db2.gz FTTNMAUTESYSKV-UHFFFAOYSA-N -1 0 328.759 3.220 20 30 EGEDRM Cc1[nH]c(C=NNc2ccc(Br)c(F)c2)cc1C(=O)[O-] ZINC000800815594 1310810247 /nfs/dbraw/zinc/81/02/47/1310810247.db2.gz GHANAFISZYRROI-UHFFFAOYSA-N -1 0 340.152 3.369 20 30 EGEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1ccc(Cl)c2ncccc12 ZINC000802045128 1316976033 /nfs/dbraw/zinc/97/60/33/1316976033.db2.gz FWMAJINGUQPIOL-AWEZNQCLSA-N -1 0 341.798 3.269 20 30 EGEDRM C[C@@H](Oc1cccc(C(=O)/C=C/c2cn(C)nc2C2CC2)c1)C(=O)[O-] ZINC000899350252 1316997977 /nfs/dbraw/zinc/99/79/77/1316997977.db2.gz BGTWOJQHJNMHNA-IDVQTMNDSA-N -1 0 340.379 3.046 20 30 EGEDRM C=CCCCCCCNC(=O)c1ccccc1[N-]S(=O)(=O)CC ZINC000805221072 1317327317 /nfs/dbraw/zinc/32/73/17/1317327317.db2.gz JZRZQLGDIMRNQK-UHFFFAOYSA-N -1 0 338.473 3.315 20 30 EGEDRM N#CCOc1ccc(CC(=O)Nc2cc(Cl)c([O-])cc2F)cc1 ZINC000805255117 1317333559 /nfs/dbraw/zinc/33/35/59/1317333559.db2.gz KNOLNJGNOMJHDE-UHFFFAOYSA-N -1 0 334.734 3.268 20 30 EGEDRM COCCOc1ccccc1/C=C1\CCc2occ(C(=O)[O-])c2C1=O ZINC000901515708 1317437493 /nfs/dbraw/zinc/43/74/93/1317437493.db2.gz PQKKGKROMARLTA-JLHYYAGUSA-N -1 0 342.347 3.216 20 30 EGEDRM Cc1ccccc1-n1cc(/C=C\C(=O)c2csc(C(=O)[O-])c2)nn1 ZINC000806571713 1317503155 /nfs/dbraw/zinc/50/31/55/1317503155.db2.gz MTBIKRVRAFMUJT-SREVYHEPSA-N -1 0 339.376 3.232 20 30 EGEDRM CC(N=Nc1nccnc1C1CCC1)c1ccc(C(=O)[O-])c(F)c1 ZINC000807991833 1317608600 /nfs/dbraw/zinc/60/86/00/1317608600.db2.gz SXFMUUPPJMPVDX-UHFFFAOYSA-N -1 0 328.347 3.418 20 30 EGEDRM Cc1cccc(S(=O)(=O)[N-]c2cc(C3CCCC3)[nH]n2)c1C#N ZINC000903096402 1317651982 /nfs/dbraw/zinc/65/19/82/1317651982.db2.gz ZINRNYBMOKSOAQ-UHFFFAOYSA-N -1 0 330.413 3.048 20 30 EGEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)CCSc1cccc(Cl)c1 ZINC000808992387 1317757243 /nfs/dbraw/zinc/75/72/43/1317757243.db2.gz VSPRKLWCYRXYQE-CYBMUJFWSA-N -1 0 347.827 3.147 20 30 EGEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1ccc(C2=CCCC2)cc1 ZINC000810526410 1318017328 /nfs/dbraw/zinc/01/73/28/1318017328.db2.gz CDLYKOMOAKEDAE-GOSISDBHSA-N -1 0 340.423 3.119 20 30 EGEDRM N#CC1(CS(=O)(=O)[N-]C(=O)c2ccc(C3=CCCC3)cc2)CCC1 ZINC000810691564 1318045345 /nfs/dbraw/zinc/04/53/45/1318045345.db2.gz DNKVJTHJMFKWPA-UHFFFAOYSA-N -1 0 344.436 3.007 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000810981382 1318085568 /nfs/dbraw/zinc/08/55/68/1318085568.db2.gz BETUBMDFQGTXIY-UHFFFAOYSA-N -1 0 334.224 3.162 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2ccc(SC(F)F)cc2)CC1 ZINC000810982162 1318085698 /nfs/dbraw/zinc/08/56/98/1318085698.db2.gz LRFDXGBGKDGKCT-UHFFFAOYSA-N -1 0 347.408 3.170 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2cc(Cl)sc2Cl)CC1 ZINC000810983897 1318086411 /nfs/dbraw/zinc/08/64/11/1318086411.db2.gz KZZURDQLLRBVRD-UHFFFAOYSA-N -1 0 340.253 3.223 20 30 EGEDRM Cc1c(C(=O)[O-])oc2c1C(=NN[C@@H](C)COc1ccccc1)CCC2 ZINC000811666256 1318223480 /nfs/dbraw/zinc/22/34/80/1318223480.db2.gz BEZDEZKWJOIJAI-LBPRGKRZSA-N -1 0 342.395 3.384 20 30 EGEDRM CC(=NN[C@@H](C)COc1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000811667564 1318224938 /nfs/dbraw/zinc/22/49/38/1318224938.db2.gz XZAYUXTYYAMJGG-LBPRGKRZSA-N -1 0 329.356 3.082 20 30 EGEDRM C[C@H](Oc1cccc(/C=C2\Cc3ccc(C#N)cc3C2=O)c1)C(=O)[O-] ZINC000811696188 1318229830 /nfs/dbraw/zinc/22/98/30/1318229830.db2.gz RKCYWKOTIXHJAR-QFULYMJESA-N -1 0 333.343 3.233 20 30 EGEDRM CN(Cc1nc(=O)c2sccc2[n-]1)c1nc2ccccc2cc1C#N ZINC000811717658 1318236209 /nfs/dbraw/zinc/23/62/09/1318236209.db2.gz RMGLEBBCCPITQN-UHFFFAOYSA-N -1 0 347.403 3.453 20 30 EGEDRM CCC[C@@H]1C[C@H]1C(=O)C(C#N)=C([O-])c1c(C)[nH]c(C)c1C(=O)OCC ZINC000813061486 1318492716 /nfs/dbraw/zinc/49/27/16/1318492716.db2.gz IYHKRDCOGJKZCY-MCIONIFRSA-N -1 0 344.411 3.136 20 30 EGEDRM N#CC(=C([O-])c1cccc2c[nH]nc21)c1cc(C(F)(F)F)ccn1 ZINC000813213064 1318514265 /nfs/dbraw/zinc/51/42/65/1318514265.db2.gz ILEDNARZCICJKO-GFCCVEGCSA-N -1 0 330.269 3.467 20 30 EGEDRM N#CCOc1ccccc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813216767 1318515968 /nfs/dbraw/zinc/51/59/68/1318515968.db2.gz YQAIJTSZGNJPSB-CYBMUJFWSA-N -1 0 345.280 3.493 20 30 EGEDRM Cc1ccc(N(CCC#N)C(=O)c2nn(-c3ccccc3)cc2[O-])cc1 ZINC000813428552 1318562069 /nfs/dbraw/zinc/56/20/69/1318562069.db2.gz ZSYOKGOBOKHJKA-UHFFFAOYSA-N -1 0 346.390 3.447 20 30 EGEDRM N#CCc1cccc(C(=O)N2CCC[C@]2(Cc2ccccc2)C(=O)[O-])c1 ZINC000910111603 1318568775 /nfs/dbraw/zinc/56/87/75/1318568775.db2.gz WSECMDHVBUQCJU-NRFANRHFSA-N -1 0 348.402 3.055 20 30 EGEDRM O=C([O-])COc1ccc(C=NOCCC2CC2)cc1Br ZINC000814245803 1318708708 /nfs/dbraw/zinc/70/87/08/1318708708.db2.gz IUKMFHZSDQCFKR-UHFFFAOYSA-N -1 0 342.189 3.063 20 30 EGEDRM C=C[C@@H](CC(=O)N[C@](C)(CC(=O)[O-])c1ccncc1)c1ccccc1 ZINC000911625613 1318754639 /nfs/dbraw/zinc/75/46/39/1318754639.db2.gz TVOTTZZAGRZJJP-MGPUTAFESA-N -1 0 338.407 3.248 20 30 EGEDRM Cc1cccc(NC(=S)NN=C2CC[C@@H](C(=O)[O-])C[C@@H]2C)c1C ZINC000814706877 1318802429 /nfs/dbraw/zinc/80/24/29/1318802429.db2.gz GLYKZXDYSFNLLF-WCQYABFASA-N -1 0 333.457 3.467 20 30 EGEDRM CC(CCCCCCC(=O)[O-])=NNC(=S)NCc1ccccc1 ZINC000814714553 1318802980 /nfs/dbraw/zinc/80/29/80/1318802980.db2.gz MBRZAEGILISLMW-UHFFFAOYSA-N -1 0 335.473 3.452 20 30 EGEDRM O=C([O-])C1(c2ccccc2)CC(N=Nc2ncnc3sccc32)C1 ZINC000814767316 1318811703 /nfs/dbraw/zinc/81/17/03/1318811703.db2.gz HEPFXKMQGWRJMI-UHFFFAOYSA-N -1 0 338.392 3.276 20 30 EGEDRM CC(=NNCc1ccc(F)c(F)c1)c1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000814808093 1318823141 /nfs/dbraw/zinc/82/31/41/1318823141.db2.gz BLBLHWKRDUQUSD-LBPRGKRZSA-N -1 0 348.349 3.331 20 30 EGEDRM CC(N=Nc1nc(-c2ccncc2)no1)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C ZINC000814827236 1318825882 /nfs/dbraw/zinc/82/58/82/1318825882.db2.gz AIZFZVKKWZTMQX-OLZOCXBDSA-N -1 0 343.387 3.056 20 30 EGEDRM COc1ccc(CCNN=Cc2cccc(C(=O)[O-])c2Cl)cc1 ZINC000814855913 1318833204 /nfs/dbraw/zinc/83/32/04/1318833204.db2.gz XZOXASKXVMCRCB-UHFFFAOYSA-N -1 0 332.787 3.213 20 30 EGEDRM C=CCC(F)(F)C(=O)[N-][C@@H](C#N)c1ccc(OC(F)(F)F)cc1 ZINC000815538215 1319012433 /nfs/dbraw/zinc/01/24/33/1319012433.db2.gz XTFBFVHVRNGESW-NSHDSACASA-N -1 0 334.244 3.477 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])c(/C=N/Cc2cc(Cl)c3c(c2)OCCO3)c1 ZINC000915112963 1319424083 /nfs/dbraw/zinc/42/40/83/1319424083.db2.gz LIBQKAGOPDEIRP-GIJQJNRQSA-N -1 0 348.742 3.344 20 30 EGEDRM CC(C)OCCCNC(=O)C(C#N)=C([O-])c1ccc2ccccc2c1 ZINC000916872796 1319717352 /nfs/dbraw/zinc/71/73/52/1319717352.db2.gz OBQAUOKDBYAIGN-GOSISDBHSA-N -1 0 338.407 3.094 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cc(-c2ccccc2)[nH]n1 ZINC000916875857 1319719290 /nfs/dbraw/zinc/71/92/90/1319719290.db2.gz KPWNPVKTQKHJCO-HNNXBMFYSA-N -1 0 338.411 3.096 20 30 EGEDRM C=CCNC(=O)C(C#N)=C([O-])c1cc(C)n([C@@H](C)c2ccccc2)c1C ZINC000916921455 1319725893 /nfs/dbraw/zinc/72/58/93/1319725893.db2.gz SWUHHWCADLBWOJ-KXBFYZLASA-N -1 0 349.434 3.339 20 30 EGEDRM CC(=NN[C@H](C)c1ccncc1)c1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000819819421 1319790779 /nfs/dbraw/zinc/79/07/79/1319790779.db2.gz ZFSKGQHRIMVLSH-TZMCWYRMSA-N -1 0 327.384 3.008 20 30 EGEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)C=C(C)C1CC1 ZINC000917508857 1319824707 /nfs/dbraw/zinc/82/47/07/1319824707.db2.gz YYBCUUQMCKHKLE-QQBNSCQMSA-N -1 0 342.395 3.056 20 30 EGEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)C=C(C)C1CC1 ZINC000917508856 1319825171 /nfs/dbraw/zinc/82/51/71/1319825171.db2.gz YYBCUUQMCKHKLE-PLWJUESGSA-N -1 0 342.395 3.056 20 30 EGEDRM C=CCC[C@@H](NCc1cccc(Br)c1[O-])C(=O)OCC ZINC000825117889 1320312097 /nfs/dbraw/zinc/31/20/97/1320312097.db2.gz LYMPBQYLHZHVMI-CYBMUJFWSA-N -1 0 342.233 3.142 20 30 EGEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1ccc(C)c2ccccc12 ZINC000842284431 1321367577 /nfs/dbraw/zinc/36/75/77/1321367577.db2.gz INTOSESFYMZFMR-SFHVURJKSA-N -1 0 338.407 3.014 20 30 EGEDRM CC(C)=CCC[C@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000842676163 1321416525 /nfs/dbraw/zinc/41/65/25/1321416525.db2.gz SLIVCBJYFPOXQM-AWEZNQCLSA-N -1 0 334.441 3.136 20 30 EGEDRM CON=Cc1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cc1 ZINC000842939625 1321451457 /nfs/dbraw/zinc/45/14/57/1321451457.db2.gz SIGFURVGEFHVAN-AWEZNQCLSA-N -1 0 325.393 3.491 20 30 EGEDRM CCOC(=O)[C@H]1CCC(N=Nc2cccc(C(=O)[O-])c2C)[C@H](C)C1 ZINC000844622954 1321626404 /nfs/dbraw/zinc/62/64/04/1321626404.db2.gz GGCHCMXREQZCGD-YPMHNXCESA-N -1 0 332.400 3.460 20 30 EGEDRM C=C(C)CO[N-]C(=O)Cc1csc(COc2ccc(C)cc2)n1 ZINC000846538547 1321791967 /nfs/dbraw/zinc/79/19/67/1321791967.db2.gz VGMOIMUAXSFSGL-UHFFFAOYSA-N -1 0 332.425 3.197 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cc(Cl)nc(C2CC2)c1 ZINC000847622953 1321885102 /nfs/dbraw/zinc/88/51/02/1321885102.db2.gz VNSFQYXRXBSMPA-ZDUSSCGKSA-N -1 0 333.819 3.241 20 30 EGEDRM CC(C)(C)OC(=O)N[C@H]1CCCC1N=Nc1ccc(CC(=O)[O-])cc1 ZINC000848414986 1321958467 /nfs/dbraw/zinc/95/84/67/1321958467.db2.gz UTUBROYYPXMBQR-AWEZNQCLSA-N -1 0 347.415 3.159 20 30 EGEDRM CC(C)(C)CC(=O)N1CCC(N=Nc2ccc(CC(=O)[O-])cc2)CC1 ZINC000848415772 1321958617 /nfs/dbraw/zinc/95/86/17/1321958617.db2.gz PURXBVJBMFSOTC-UHFFFAOYSA-N -1 0 345.443 3.140 20 30 EGEDRM CCOC(=O)[C@@H]1CCC(N=Nc2ccc(CC(=O)[O-])cc2)C[C@H]1C ZINC000848415970 1321958669 /nfs/dbraw/zinc/95/86/69/1321958669.db2.gz URVROGGDVUCGHS-MLGOLLRUSA-N -1 0 332.400 3.081 20 30 EGEDRM COc1c(O)cccc1/C=C1\CCc2oc(C(=O)[O-])c(C)c2C1=O ZINC000920069327 1322133644 /nfs/dbraw/zinc/13/36/44/1322133644.db2.gz YIZVVUJVOVXVLK-CSKARUKUSA-N -1 0 328.320 3.213 20 30 EGEDRM Cc1nnc(N=NC(C)CCc2cccc(C(F)(F)F)c2)[n-]c1=O ZINC000920364330 1322168136 /nfs/dbraw/zinc/16/81/36/1322168136.db2.gz SNDNFJUOEZSVSF-UHFFFAOYSA-N -1 0 339.321 3.325 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)C[C@@H]2CCCC[C@@H]2C)n1 ZINC000920727659 1322212487 /nfs/dbraw/zinc/21/24/87/1322212487.db2.gz KZOMGMOJYWPFNK-FPMFFAJLSA-N -1 0 334.441 3.387 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)C2CCC3(CC3)CC2)n1 ZINC000850265655 1322217849 /nfs/dbraw/zinc/21/78/49/1322217849.db2.gz HEBQKFKPCMWAOK-ZDUSSCGKSA-N -1 0 332.425 3.141 20 30 EGEDRM CCCCCCCC[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccon1 ZINC000850872474 1322304623 /nfs/dbraw/zinc/30/46/23/1322304623.db2.gz OHIHPEADCVABCE-CYBMUJFWSA-N -1 0 330.450 3.007 20 30 EGEDRM COC[C@@H](C)Oc1ccc(C=NNc2ccc(CC(=O)[O-])cc2)cc1 ZINC000853370839 1325086527 /nfs/dbraw/zinc/08/65/27/1325086527.db2.gz YGDPIUCWPZYZLZ-CQSZACIVSA-N -1 0 342.395 3.173 20 30 EGEDRM C=CCCO[N-]C(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccc(C)cc1 ZINC000856035041 1325441107 /nfs/dbraw/zinc/44/11/07/1325441107.db2.gz RDFBCBZMZUXKNO-HNNXBMFYSA-N -1 0 334.416 3.185 20 30 EGEDRM N#Cc1c2c(sc1[N-]C(=O)c1cnc(Br)o1)CCC2 ZINC001191713434 1367568671 /nfs/dbraw/zinc/56/86/71/1367568671.db2.gz KDEIRVBJGODZFQ-UHFFFAOYSA-N -1 0 338.186 3.111 20 30 EGEDRM C=CC[C@@H](NC(=O)N1CCC[C@]1(CCC)C(=O)[O-])c1ccncc1 ZINC000929032728 1328492800 /nfs/dbraw/zinc/49/28/00/1328492800.db2.gz HTPJFELILBVRGU-CRAIPNDOSA-N -1 0 331.416 3.128 20 30 EGEDRM CCOc1ccc(S(=O)(=O)[N-]c2sc3c(c2C#N)CCC3)cc1 ZINC000864888185 1329649335 /nfs/dbraw/zinc/64/93/35/1329649335.db2.gz VPFIFHYDPFNEMA-UHFFFAOYSA-N -1 0 348.449 3.308 20 30 EGEDRM CC(C)N(CCC#N)C(=O)c1cc(Br)cc(F)c1[O-] ZINC000865082171 1329667700 /nfs/dbraw/zinc/66/77/00/1329667700.db2.gz PYJBALMIUBBNGU-UHFFFAOYSA-N -1 0 329.169 3.058 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2cccc(OC(C)(C)C)c2)C(=O)O1 ZINC000865214208 1329676219 /nfs/dbraw/zinc/67/62/19/1329676219.db2.gz OZKSPOSBRBIBLE-XZVRFQMRSA-N -1 0 328.364 3.092 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2cccc(OC(C)(C)C)c2)C(=O)O1 ZINC000865214206 1329676319 /nfs/dbraw/zinc/67/63/19/1329676319.db2.gz OZKSPOSBRBIBLE-JJEJIETFSA-N -1 0 328.364 3.092 20 30 EGEDRM O=C(CCC(=O)N1CCC(c2[nH]nc3ccccc32)CC1)C1=CC=C[CH]1 ZINC001184243033 1387418819 /nfs/dbraw/zinc/41/88/19/1387418819.db2.gz BUYJCARUHBJJML-UHFFFAOYSA-N -1 0 348.426 3.319 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2c(C#N)cccc2C#N)ccc1Cl ZINC001185520627 1387737689 /nfs/dbraw/zinc/73/76/89/1387737689.db2.gz HODZVKVVTRXGCO-UHFFFAOYSA-N -1 0 331.784 3.193 20 30 EGEDRM COc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2)c1C#N ZINC001185530314 1387740751 /nfs/dbraw/zinc/74/07/51/1387740751.db2.gz YMHWPAHFTOWRNU-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM CCC1CCC(C[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC001185956595 1387835749 /nfs/dbraw/zinc/83/57/49/1387835749.db2.gz DOCNTIWZLSONIC-UHFFFAOYSA-N -1 0 342.411 3.331 20 30 EGEDRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C)ccc2C#N)c1 ZINC001189563458 1367055752 /nfs/dbraw/zinc/05/57/52/1367055752.db2.gz MSROGNSWMKJESO-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM Cc1ccc(C)c([N-]S(=O)(=O)Cc2cc(F)ccc2F)c1C#N ZINC001189698710 1367088786 /nfs/dbraw/zinc/08/87/86/1367088786.db2.gz KTUAYCXLTZAUNT-UHFFFAOYSA-N -1 0 336.363 3.395 20 30 EGEDRM C=C(C)Cc1ccc(C(=O)Nc2nc[n-]c(=O)c2Br)cc1 ZINC001190215991 1367201728 /nfs/dbraw/zinc/20/17/28/1367201728.db2.gz DRCWTNQSPLABAU-UHFFFAOYSA-N -1 0 348.200 3.316 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cnccc2C2CCC2)c1 ZINC001190619460 1367309792 /nfs/dbraw/zinc/30/97/92/1367309792.db2.gz NHESFJCQARXSEL-UHFFFAOYSA-N -1 0 331.372 3.161 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2C#N)CC1 ZINC001190813249 1367356317 /nfs/dbraw/zinc/35/63/17/1367356317.db2.gz CJLAWMYIQUVHHB-UHFFFAOYSA-N -1 0 330.331 3.427 20 30 EGEDRM O=S(=O)([N-]c1ccccc1C#Cc1ccccc1)c1ccncc1 ZINC001190896021 1367377337 /nfs/dbraw/zinc/37/73/37/1367377337.db2.gz ALTPMBDZZFVYNA-UHFFFAOYSA-N -1 0 334.400 3.282 20 30 EGEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C(F)F)cn2)c1 ZINC001190942337 1367387563 /nfs/dbraw/zinc/38/75/63/1367387563.db2.gz DLZAJBSYGQCMQE-UHFFFAOYSA-N -1 0 343.742 3.345 20 30 EGEDRM CCCCCCCNC(=O)Nc1cc(F)c(O)cc1C(=O)OC ZINC001191106716 1367424568 /nfs/dbraw/zinc/42/45/68/1367424568.db2.gz MOPMJLOGQTXBAN-UHFFFAOYSA-N -1 0 326.368 3.410 20 30 EGEDRM CCCCc1ccc(S(=O)(=O)[N-]c2snc(C)c2C#N)cc1 ZINC001191224543 1367450203 /nfs/dbraw/zinc/45/02/03/1367450203.db2.gz SKSFONIHJQTPAO-UHFFFAOYSA-N -1 0 335.454 3.467 20 30 EGEDRM N#Cc1cc(NC(=O)c2nccnc2-c2ccccc2)c([O-])cc1F ZINC001191475109 1367510194 /nfs/dbraw/zinc/51/01/94/1367510194.db2.gz LTKZRXPUSYEGST-UHFFFAOYSA-N -1 0 334.310 3.112 20 30 EGEDRM CCc1cc(C#N)ccc1[N-]S(=O)(=O)C(Cl)(Cl)Cl ZINC001192032726 1367670770 /nfs/dbraw/zinc/67/07/70/1367670770.db2.gz XQSNHCUYOWAMJC-UHFFFAOYSA-N -1 0 327.620 3.190 20 30 EGEDRM N#Cc1c(F)ccc([N-]C(=O)c2nc(Cc3ccccc3)no2)c1F ZINC001192269957 1367736240 /nfs/dbraw/zinc/73/62/40/1367736240.db2.gz MTWYULYINDSWQU-UHFFFAOYSA-N -1 0 340.289 3.063 20 30 EGEDRM N#Cc1nc2ccc(NC(=O)c3c([O-])ccc(F)c3F)cc2s1 ZINC001192764717 1367869697 /nfs/dbraw/zinc/86/96/97/1367869697.db2.gz NCJGPQCDDNQMEK-UHFFFAOYSA-N -1 0 331.303 3.404 20 30 EGEDRM CCCn1ncc([N-]S(=O)(=O)c2ccc(CC#N)cc2)c1C1CC1 ZINC001325198010 1387914095 /nfs/dbraw/zinc/91/40/95/1387914095.db2.gz YYYJTDLVWVUEHH-UHFFFAOYSA-N -1 0 344.440 3.037 20 30 EGEDRM C[C@H](NC(=O)c1ccc([O-])c(C#N)c1)c1nc(-c2ccccc2)c[nH]1 ZINC001193515958 1368051114 /nfs/dbraw/zinc/05/11/14/1368051114.db2.gz VYGTUEXRDIKWIF-LBPRGKRZSA-N -1 0 332.363 3.145 20 30 EGEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cncc(C3CCC3)c2)c1 ZINC001193653348 1368085620 /nfs/dbraw/zinc/08/56/20/1368085620.db2.gz FUTZPNGYCWILPM-UHFFFAOYSA-N -1 0 343.408 3.030 20 30 EGEDRM N#Cc1cccc(C(=O)N[C@H](c2ccccc2)c2ccncc2)c1[O-] ZINC001193658062 1368086507 /nfs/dbraw/zinc/08/65/07/1368086507.db2.gz RIOSKWNFWYNZEG-GOSISDBHSA-N -1 0 329.359 3.178 20 30 EGEDRM N#Cc1cccc(C(=O)NCCc2c[nH]c3cccc(Cl)c23)c1[O-] ZINC001193659894 1368086664 /nfs/dbraw/zinc/08/66/64/1368086664.db2.gz RQLITCBMCUIDHJ-UHFFFAOYSA-N -1 0 339.782 3.371 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2cc(F)c(Cl)nc2Cl)c([O-])c1 ZINC001195733311 1368479790 /nfs/dbraw/zinc/47/97/90/1368479790.db2.gz JCFBHOIXLAIJGW-UHFFFAOYSA-N -1 0 326.114 3.357 20 30 EGEDRM CC1(C)COC(c2ccccc2NC(=O)c2ccc(C#N)cc2[O-])=N1 ZINC001195759175 1368483280 /nfs/dbraw/zinc/48/32/80/1368483280.db2.gz YDQNOLCUDGQBTJ-UHFFFAOYSA-N -1 0 335.363 3.072 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccc(O)cc2)c(C(F)(F)F)c1 ZINC001195794660 1368491890 /nfs/dbraw/zinc/49/18/90/1368491890.db2.gz FCICLWSEWUATMG-UHFFFAOYSA-N -1 0 342.298 3.083 20 30 EGEDRM N#Cc1ccnc(NC(=O)c2cc([O-])cc(-c3cccc(C#N)c3)c2)c1 ZINC001196297104 1368585406 /nfs/dbraw/zinc/58/54/06/1368585406.db2.gz IQPHQAMKYQPOGZ-UHFFFAOYSA-N -1 0 340.342 3.450 20 30 EGEDRM C[C@H]1CC(=O)CCN1C(=O)c1cc(O)cc(-c2cccc(C#N)c2)c1 ZINC001196315470 1368586988 /nfs/dbraw/zinc/58/69/88/1368586988.db2.gz DTCGSSAHOWKZTA-ZDUSSCGKSA-N -1 0 334.375 3.124 20 30 EGEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ncc(F)cc1Cl ZINC001196650016 1368656380 /nfs/dbraw/zinc/65/63/80/1368656380.db2.gz FDACLORTLHBQAT-UHFFFAOYSA-N -1 0 346.170 3.200 20 30 EGEDRM CN(C)c1ccccc1[N-]S(=O)(=O)c1cc(Cl)ccc1C#N ZINC001196680034 1368660928 /nfs/dbraw/zinc/66/09/28/1368660928.db2.gz UJFZUZVBYGWDOO-UHFFFAOYSA-N -1 0 335.816 3.078 20 30 EGEDRM N#Cc1cc(F)c(NC(=S)Nc2ccc(C(=O)[O-])cc2)c(F)c1 ZINC001197112453 1368746808 /nfs/dbraw/zinc/74/68/08/1368746808.db2.gz FRAOXCDKBBPJTF-UHFFFAOYSA-N -1 0 333.319 3.344 20 30 EGEDRM N#Cc1cc(S(=O)(=O)[N-]c2ccsc2)ccc1Br ZINC001197279033 1368778231 /nfs/dbraw/zinc/77/82/31/1368778231.db2.gz JKFYPXJUOIMRBI-UHFFFAOYSA-N -1 0 343.227 3.183 20 30 EGEDRM COC(=O)c1sc(Nc2cc([O-])cc([N+](=O)[O-])c2)c(C#N)c1C ZINC001199802112 1369274913 /nfs/dbraw/zinc/27/49/13/1369274913.db2.gz MCSTWJWMOZNIHU-UHFFFAOYSA-N -1 0 333.325 3.072 20 30 EGEDRM Cc1nc(Cl)sc1S(=O)(=O)[N-]c1c(F)cc(F)cc1C#N ZINC001201764693 1369619600 /nfs/dbraw/zinc/61/96/00/1369619600.db2.gz HYQJTWMTSFHYKO-UHFFFAOYSA-N -1 0 349.771 3.056 20 30 EGEDRM Cc1nc(Cl)sc1S(=O)(=O)[N-]c1cc(F)c(F)c(C#N)c1 ZINC001201764286 1369619752 /nfs/dbraw/zinc/61/97/52/1369619752.db2.gz DQOVSJARPAYEBY-UHFFFAOYSA-N -1 0 349.771 3.056 20 30 EGEDRM C=CC[C@H](NC(=O)CCCOc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC001116906187 1370997857 /nfs/dbraw/zinc/99/78/57/1370997857.db2.gz HAZPWETVMZRTME-INIZCTEOSA-N -1 0 333.428 3.289 20 30 EGEDRM C[C@@H]1CCc2nc([N-]S(=O)(=O)c3cccc(CC#N)c3)sc2C1 ZINC001117687487 1371064431 /nfs/dbraw/zinc/06/44/31/1371064431.db2.gz MVHAZMYJENZACP-LLVKDONJSA-N -1 0 347.465 3.135 20 30 EGEDRM C=C1CCC(C(=O)[N-]S(=O)(=O)[C@@H]2CCCc3ccccc32)CC1 ZINC001119492415 1371355009 /nfs/dbraw/zinc/35/50/09/1371355009.db2.gz UGENKMYVSXJHLQ-QGZVFWFLSA-N -1 0 333.453 3.256 20 30 EGEDRM N#CCc1ccc(S(=O)(=O)[N-]c2ccn(C3CCCCC3)n2)cc1 ZINC001326408250 1388179524 /nfs/dbraw/zinc/17/95/24/1388179524.db2.gz KWSYYACQERXKDH-UHFFFAOYSA-N -1 0 344.440 3.255 20 30 EGEDRM Cc1cc(Nc2ccc(S(=O)(=O)[O-])c3ccccc23)cnc1C#N ZINC001210205355 1372294415 /nfs/dbraw/zinc/29/44/15/1372294415.db2.gz PEUQXUYYTQPQRB-UHFFFAOYSA-N -1 0 339.376 3.405 20 30 EGEDRM C#Cc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC001187969650 1388200404 /nfs/dbraw/zinc/20/04/04/1388200404.db2.gz SBMPMQCKVCQIBB-UHFFFAOYSA-N -1 0 327.192 3.171 20 30 EGEDRM Cc1cc(C#N)cc([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)c1 ZINC001187972832 1388201564 /nfs/dbraw/zinc/20/15/64/1388201564.db2.gz GJUNMCRMRVAAGH-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM CCCCCCCCS(=O)(=O)[N-]c1sc(C)cc1C(N)=O ZINC001187994873 1388207965 /nfs/dbraw/zinc/20/79/65/1388207965.db2.gz SSAIGEMTLYPFQQ-UHFFFAOYSA-N -1 0 332.491 3.258 20 30 EGEDRM CCCCCCCCS(=O)(=O)[N-]c1ncc(C)cc1C(=O)OC ZINC001187993479 1388208011 /nfs/dbraw/zinc/20/80/11/1388208011.db2.gz XXOITKXSZWLUIB-UHFFFAOYSA-N -1 0 342.461 3.279 20 30 EGEDRM CCCCCCCCS(=O)(=O)[N-]c1cc2n(n1)CC(C)(C)CO2 ZINC001188002247 1388210214 /nfs/dbraw/zinc/21/02/14/1388210214.db2.gz ZZMSQBUTEBQTTL-UHFFFAOYSA-N -1 0 343.493 3.404 20 30 EGEDRM CCCCCCCCS(=O)(=O)[N-]c1ccccc1C(=O)N(C)C ZINC001188012922 1388214247 /nfs/dbraw/zinc/21/42/47/1388214247.db2.gz KAMGVAKUVYEPQV-UHFFFAOYSA-N -1 0 340.489 3.491 20 30 EGEDRM N#Cc1cc(F)cc(Nc2ccc(NC(=O)CCC(=O)[O-])cc2)c1 ZINC001213187504 1372855981 /nfs/dbraw/zinc/85/59/81/1372855981.db2.gz SRTUYRMUSLNRQB-UHFFFAOYSA-N -1 0 327.315 3.244 20 30 EGEDRM N#Cc1c(F)cccc1Nc1ccc(NC(=O)CCC(=O)[O-])cc1 ZINC001213187321 1372856397 /nfs/dbraw/zinc/85/63/97/1372856397.db2.gz JKTHFSDGRNTLEZ-UHFFFAOYSA-N -1 0 327.315 3.244 20 30 EGEDRM COc1cccc(Nc2ccc(NC(=O)CCC(=O)[O-])cc2)c1C#N ZINC001213194869 1372857483 /nfs/dbraw/zinc/85/74/83/1372857483.db2.gz WZBLYXAYRXDRGM-UHFFFAOYSA-N -1 0 339.351 3.114 20 30 EGEDRM COc1cc(Nc2ncc(C#N)cc2Br)cc(C(=O)[O-])c1 ZINC001213585336 1372930029 /nfs/dbraw/zinc/93/00/29/1372930029.db2.gz UWKHSFGDVRYXEE-UHFFFAOYSA-N -1 0 348.156 3.166 20 30 EGEDRM C#Cc1ccc([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)cc1F ZINC001188078840 1388236147 /nfs/dbraw/zinc/23/61/47/1388236147.db2.gz KWDCQDGSPPEQCZ-UHFFFAOYSA-N -1 0 345.182 3.310 20 30 EGEDRM CCOc1ccc(C(=O)[O-])cc1Nc1ccc(C#N)c(C(=O)OC)c1 ZINC001214279384 1373036623 /nfs/dbraw/zinc/03/66/23/1373036623.db2.gz KXFAHQOJWMSHJC-UHFFFAOYSA-N -1 0 340.335 3.185 20 30 EGEDRM N#Cc1ccc(Br)cc1Nc1cnc(F)c(C(=O)[O-])c1 ZINC001215109961 1373171655 /nfs/dbraw/zinc/17/16/55/1373171655.db2.gz UCOKFHIZIVOIEO-UHFFFAOYSA-N -1 0 336.120 3.297 20 30 EGEDRM Cc1c(Cl)c(Nc2nc(C#N)c(C#N)nc2Cl)ccc1C(=O)[O-] ZINC001215691416 1373231999 /nfs/dbraw/zinc/23/19/99/1373231999.db2.gz JANIRBUOOXGYCJ-UHFFFAOYSA-N -1 0 348.149 3.277 20 30 EGEDRM CCN1CCc2ccc(-c3noc(-c4cccc(C#N)c4[O-])n3)cc21 ZINC001216980196 1373374472 /nfs/dbraw/zinc/37/44/72/1373374472.db2.gz UROIWCRHWNVNAY-UHFFFAOYSA-N -1 0 332.363 3.363 20 30 EGEDRM N#Cc1cc(F)cc(-c2noc(-c3cc(=O)c4cccc(O)c4[n-]3)n2)c1 ZINC001217368522 1373432289 /nfs/dbraw/zinc/43/22/89/1373432289.db2.gz PYUYGLRESSIXHG-UHFFFAOYSA-N -1 0 348.293 3.374 20 30 EGEDRM N#Cc1ccc(F)c(-c2noc(-c3csc4c3[n-]cnc4=O)n2)c1 ZINC001217592478 1373469666 /nfs/dbraw/zinc/46/96/66/1373469666.db2.gz DCYBMPIKBNXUNC-UHFFFAOYSA-N -1 0 339.311 3.125 20 30 EGEDRM C=CC[C@H](NC(=O)c1cccc(OCc2cccs2)c1)C(=O)[O-] ZINC001327014719 1388365176 /nfs/dbraw/zinc/36/51/76/1388365176.db2.gz ZXPSQZRAIMYAQN-HNNXBMFYSA-N -1 0 331.393 3.086 20 30 EGEDRM O=c1ncc([N+](=O)[O-])c(O[C@H](C#Cc2ccccc2)c2ccccc2)[n-]1 ZINC001226336111 1375242050 /nfs/dbraw/zinc/24/20/50/1375242050.db2.gz NFBPVFAIHIMISE-QGZVFWFLSA-N -1 0 347.330 3.262 20 30 EGEDRM C=C[C@H](CC)Oc1c([O-])c(C(=O)OCC)sc1C(=O)OCC ZINC001227493543 1375437858 /nfs/dbraw/zinc/43/78/58/1375437858.db2.gz ITHXVIAUZSTJCK-SECBINFHSA-N -1 0 328.386 3.151 20 30 EGEDRM C=CC[C@@H](C=C)Oc1cc(O)cc([O-])c1C(=O)c1ccc(O)c(O)c1 ZINC001228522920 1375585501 /nfs/dbraw/zinc/58/55/01/1375585501.db2.gz QTCSWDLWTZEMOJ-CYBMUJFWSA-N -1 0 342.347 3.250 20 30 EGEDRM N#Cc1cc(F)ccc1[N-]S(=O)(=O)CCc1ccc(Cl)cc1 ZINC001189108249 1388460040 /nfs/dbraw/zinc/46/00/40/1388460040.db2.gz AKZRMRMUZDTDDT-UHFFFAOYSA-N -1 0 338.791 3.335 20 30 EGEDRM N#Cc1ccccc1OC1CN(Cc2ccc(Cl)cc2C(=O)[O-])C1 ZINC001142673024 1378473940 /nfs/dbraw/zinc/47/39/40/1378473940.db2.gz VZSNZGWGEBHXHT-UHFFFAOYSA-N -1 0 342.782 3.173 20 30 EGEDRM Cc1cnc(OC(C)C)c([N-]S(=O)(=O)c2ccc(CC#N)cc2)c1 ZINC001327998044 1388641872 /nfs/dbraw/zinc/64/18/72/1388641872.db2.gz DQHSCJOVCLFCMU-UHFFFAOYSA-N -1 0 345.424 3.044 20 30 EGEDRM N#Cc1cc(NC(=O)c2ccc3cc(F)ccc3n2)c([O-])cc1F ZINC001153896516 1380151540 /nfs/dbraw/zinc/15/15/40/1380151540.db2.gz WSDGOVMMNYOVFQ-UHFFFAOYSA-N -1 0 325.274 3.343 20 30 EGEDRM N#Cc1ccc2[n-]c(C(=O)Nc3ccc4c(c3)N=NC4)cc(=O)c2c1 ZINC001154557785 1380305708 /nfs/dbraw/zinc/30/57/08/1380305708.db2.gz QOCPLDKYFGIJSH-UHFFFAOYSA-N -1 0 329.319 3.249 20 30 EGEDRM CC(=O)c1cc(C(=O)Nc2cc(C#N)c(F)cc2[O-])c2ccccn12 ZINC001156129134 1380529188 /nfs/dbraw/zinc/52/91/88/1380529188.db2.gz LTDRCSDASDOUDE-UHFFFAOYSA-N -1 0 337.310 3.111 20 30 EGEDRM O=C([N-]CCNc1cc(F)c(C(F)(F)F)c(F)c1)C(F)(F)F ZINC001164243928 1383170747 /nfs/dbraw/zinc/17/07/47/1383170747.db2.gz MADVUFFXPDNRDD-UHFFFAOYSA-N -1 0 336.182 3.074 20 30 EGEDRM O=C([O-])c1cc(Br)cc(NC=CC(=O)C(F)(F)F)c1 ZINC001169481127 1384152984 /nfs/dbraw/zinc/15/29/84/1384152984.db2.gz WKWCERHTXAYFJP-OWOJBTEDSA-N -1 0 338.079 3.204 20 30 EGEDRM C=CCc1ccc(NC(=O)C(C)(C)C)c(NCc2cc(=O)[n-]o2)n1 ZINC001169482903 1384153239 /nfs/dbraw/zinc/15/32/39/1384153239.db2.gz XHGDWRYKIBZFGC-UHFFFAOYSA-N -1 0 330.388 3.100 20 30 EGEDRM O=C1N[C@@H](Nc2cc(/C=N/[O-])cc(C(F)(F)F)c2)c2ccccc21 ZINC001171130510 1384451572 /nfs/dbraw/zinc/45/15/72/1384451572.db2.gz WDJUESCEAJADOS-AVVUEXNVSA-N -1 0 335.285 3.368 20 30 EGEDRM COc1ccc(Cn2cc(Nc3cc(C#N)c(F)cc3[O-])cn2)cc1 ZINC001174438643 1385108958 /nfs/dbraw/zinc/10/89/58/1385108958.db2.gz JNWCDCJCEUYMQP-UHFFFAOYSA-N -1 0 338.342 3.400 20 30 EGEDRM N#Cc1cc(NC(=O)c2cc3c(Cl)[nH]ccc-3n2)c([O-])cc1F ZINC001174584016 1385122623 /nfs/dbraw/zinc/12/26/23/1385122623.db2.gz CSAQAAIHPOWIFN-UHFFFAOYSA-N -1 0 330.706 3.185 20 30 EGEDRM N#Cc1cc(F)cc(Nc2ccc(Cl)cc2S(=O)(=O)[O-])c1 ZINC001175684972 1385374276 /nfs/dbraw/zinc/37/42/76/1385374276.db2.gz QAMLDTXBRSQEIO-UHFFFAOYSA-N -1 0 326.736 3.341 20 30 EGEDRM N#Cc1cc(Nc2ccc(OC3CCOCC3)nc2)c([O-])cc1F ZINC001175729825 1385387957 /nfs/dbraw/zinc/38/79/57/1385387957.db2.gz QKJFLTOKINBZGW-UHFFFAOYSA-N -1 0 329.331 3.099 20 30 EGEDRM N#Cc1cc(Cc2ccccc2)sc1Nc1cnn(CC(=O)[O-])c1 ZINC001176265450 1385531637 /nfs/dbraw/zinc/53/16/37/1385531637.db2.gz OXCCMEGXSRKZQG-UHFFFAOYSA-N -1 0 338.392 3.235 20 30 EGEDRM C#Cc1nc(Br)cnc1Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC001176590979 1385635030 /nfs/dbraw/zinc/63/50/30/1385635030.db2.gz AUCRFJPXPJNXJZ-VMPITWQZSA-N -1 0 344.168 3.062 20 30 EGEDRM N#Cc1cc(Nc2ccc(S(=O)(=O)[O-])cc2Cl)ccc1F ZINC001176616242 1385641507 /nfs/dbraw/zinc/64/15/07/1385641507.db2.gz SDWBUHGVMZRKPZ-UHFFFAOYSA-N -1 0 326.736 3.341 20 30 EGEDRM N#CCOc1ccc(NS(=O)(=O)c2cc(F)cc(Cl)c2)cc1 ZINC001319480076 1386140148 /nfs/dbraw/zinc/14/01/48/1386140148.db2.gz OVYMXFDFUXZGMB-UHFFFAOYSA-N -1 0 340.763 3.182 20 30 EGEDRM N#Cc1c(NC(=O)C(F)(F)C(F)(F)C(=O)[O-])sc2ccccc21 ZINC001180169729 1386720828 /nfs/dbraw/zinc/72/08/28/1386720828.db2.gz BMCNJTDLOCFPQM-UHFFFAOYSA-N -1 0 346.261 3.067 20 30 EGEDRM C=CC[C@H](NC(=O)c1cc(C2CC2)nc2c(C)cc(C)cc12)C(=O)[O-] ZINC001321166360 1386827584 /nfs/dbraw/zinc/82/75/84/1386827584.db2.gz CUXFTJQXOGIOCX-INIZCTEOSA-N -1 0 338.407 3.488 20 30 EGEDRM C=CC[C@H](NC(=O)CCCc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC001321202927 1386839778 /nfs/dbraw/zinc/83/97/78/1386839778.db2.gz HLUMJSHYRXKINQ-ZDUSSCGKSA-N -1 0 330.211 3.462 20 30 EGEDRM C=CC[C@@H](NC(=O)c1cc(Cl)ccc1OC1CCCC1)C(=O)[O-] ZINC001321337682 1386879558 /nfs/dbraw/zinc/87/95/58/1386879558.db2.gz DGBBIZOAKSJGIT-CQSZACIVSA-N -1 0 337.803 3.421 20 30 EGEDRM C=CC[C@H](NC(=O)Cc1csc(-c2ccc(CC)cc2)n1)C(=O)[O-] ZINC001321339457 1386880168 /nfs/dbraw/zinc/88/01/68/1386880168.db2.gz ODABNZBYWHTVER-HNNXBMFYSA-N -1 0 344.436 3.061 20 30 EGEDRM CCCCC1CCC(C(=O)[N-]S(=O)(=O)c2ccccc2C#N)CC1 ZINC001337514370 1389377000 /nfs/dbraw/zinc/37/70/00/1389377000.db2.gz KDZRXXPOCNSWEC-UHFFFAOYSA-N -1 0 348.468 3.360 20 30 EGEDRM C#CCCCCCC(=O)[N-]S(=O)(=O)c1cc(C)ccc1Cl ZINC001338201501 1389583420 /nfs/dbraw/zinc/58/34/20/1389583420.db2.gz DDEQAHVZXNYBBR-UHFFFAOYSA-N -1 0 327.833 3.037 20 30 EGEDRM C=CC[C@@H](NC(=O)Nc1cccc(C2SCCS2)c1)C(=O)[O-] ZINC001339754325 1390130651 /nfs/dbraw/zinc/13/06/51/1390130651.db2.gz NSRWWSPPGGKSBG-GFCCVEGCSA-N -1 0 338.454 3.316 20 30 EGEDRM N#Cc1nc(NC(=O)c2ccc3c(c2)oc2ccccc23)[n-]c1C#N ZINC001332590982 1390138486 /nfs/dbraw/zinc/13/84/86/1390138486.db2.gz PRADEMNWOAJROK-UHFFFAOYSA-N -1 0 327.303 3.305 20 30 EGEDRM Cc1cc(C)c(C([O-])=C(C#N)C(=O)N2CCCC2)cc1Br ZINC001342611188 1390632339 /nfs/dbraw/zinc/63/23/39/1390632339.db2.gz JTVHKYWLUGTDML-CYBMUJFWSA-N -1 0 349.228 3.011 20 30 EGEDRM N#CC(=C([O-])c1nsc2ccccc21)c1nnc2n1CCCCC2 ZINC001342918878 1390672325 /nfs/dbraw/zinc/67/23/25/1390672325.db2.gz QBGQKVZZYJYZCQ-GFCCVEGCSA-N -1 0 337.408 3.104 20 30 EGEDRM CCCc1ncc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)s1 ZINC001343448614 1390714757 /nfs/dbraw/zinc/71/47/57/1390714757.db2.gz WFUVTXMTPXPZLE-LLVKDONJSA-N -1 0 337.408 3.111 20 30 EGEDRM CC[C@H](NN=C1CCc2c1cc(Cl)cc2Br)C(=O)[O-] ZINC001343773529 1390736104 /nfs/dbraw/zinc/73/61/04/1390736104.db2.gz JPYRIPGEJJUYQD-NSHDSACASA-N -1 0 345.624 3.206 20 30 EGEDRM C=C(C)Cn1c(-c2c[n-]n(CC)c2=O)nnc1N(CC)CCC1CC1 ZINC001343966094 1390747099 /nfs/dbraw/zinc/74/70/99/1390747099.db2.gz IQTMNAROGMHQPM-UHFFFAOYSA-N -1 0 344.463 3.070 20 30 EGEDRM N#CC(=C([O-])c1cc2cc([N+](=O)[O-])ccc2o1)c1cccc(F)n1 ZINC001344002946 1390749456 /nfs/dbraw/zinc/74/94/56/1390749456.db2.gz DZNZDXGPPSVAEQ-LLVKDONJSA-N -1 0 325.255 3.365 20 30 EGEDRM CCn1c(C([O-])=C(C#N)C(=O)NC2CCCCC2)cc2ccccc21 ZINC001344559884 1390799510 /nfs/dbraw/zinc/79/95/10/1390799510.db2.gz WSZNKMYCOUUFSX-INIZCTEOSA-N -1 0 337.423 3.433 20 30 EGEDRM C=CCCCC(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000823893952 1425724276 /nfs/dbraw/zinc/72/42/76/1425724276.db2.gz CCGNUHPOANMEFZ-UHFFFAOYSA-N -1 0 340.412 3.285 20 30 EGEDRM O=C(C=Cc1cc(F)ccc1F)c1ccc(-c2nn[n-]n2)cc1F ZINC000826400461 1426608692 /nfs/dbraw/zinc/60/86/92/1426608692.db2.gz ZNTSILRZLKOACU-KXFIGUGUSA-N -1 0 330.269 3.180 20 30 EGEDRM Cc1ccc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)c(C)c1 ZINC000737308801 1429050097 /nfs/dbraw/zinc/05/00/97/1429050097.db2.gz PANFKLJXBZIXBY-ALCCZGGFSA-N -1 0 344.378 3.027 20 30 EGEDRM CC(=NNc1ccc(C#N)c(Cl)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823958820 1429105957 /nfs/dbraw/zinc/10/59/57/1429105957.db2.gz YACPHLMASBPEGN-UHFFFAOYSA-N -1 0 343.803 3.289 20 30 EGEDRM C=CCOc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000823932101 1429327326 /nfs/dbraw/zinc/32/73/26/1429327326.db2.gz OMGTUMNCUSZYCW-YVMONPNESA-N -1 0 338.392 3.389 20 30 EGEDRM N#CCN(Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)C1CC1 ZINC000737693045 1424156835 /nfs/dbraw/zinc/15/68/35/1424156835.db2.gz MFDWGFZIFYVROQ-UHFFFAOYSA-N -1 0 330.395 3.022 20 30 EGEDRM C(=NNCc1ccc(-c2nn[n-]n2)cc1)c1csc2ccccc12 ZINC000819718219 1424654136 /nfs/dbraw/zinc/65/41/36/1424654136.db2.gz BFCCEWJUXCKJSB-UHFFFAOYSA-N -1 0 334.408 3.205 20 30 EGEDRM Clc1cc(NN=Cc2cnc(C3CC3)s2)ccc1-c1nn[n-]n1 ZINC000826351344 1424972072 /nfs/dbraw/zinc/97/20/72/1424972072.db2.gz IXONXRPWZSYXEL-UHFFFAOYSA-N -1 0 345.819 3.300 20 30 EGEDRM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1cc(F)ccc1F ZINC000822924237 1425437906 /nfs/dbraw/zinc/43/79/06/1425437906.db2.gz ZIYNIJQYPZYNHF-ZZXKWVIFSA-N -1 0 330.269 3.180 20 30 EGEDRM Cc1c(Cl)cnc(N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1C#N ZINC000826238308 1426120273 /nfs/dbraw/zinc/12/02/73/1426120273.db2.gz CKPOXJLLZQLQIT-JTQLQIEISA-N -1 0 339.790 3.268 20 30 EGEDRM Cc1cc(F)ccc1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000826268555 1426922066 /nfs/dbraw/zinc/92/20/66/1426922066.db2.gz BYARPKONOPJFLM-DAXSKMNVSA-N -1 0 326.306 3.349 20 30 EGEDRM Cc1cc(C)cc(NN=Cc2c[nH]c3ccc(-c4nn[n-]n4)cc23)c1 ZINC000822197706 1427249410 /nfs/dbraw/zinc/24/94/10/1427249410.db2.gz MBZFWGQXLSNLBG-UHFFFAOYSA-N -1 0 331.383 3.411 20 30 EGEDRM O=C1c2cc(Cl)ccc2CC1=Cc1cc(-c2nnn[n-]2)cs1 ZINC000826476028 1427645759 /nfs/dbraw/zinc/64/57/59/1427645759.db2.gz ZFJXZSYCDDSBEL-WTKPLQERSA-N -1 0 328.784 3.404 20 30 EGEDRM C=CC1CCN(c2c(-c3nn[n-]n3)cnc3c(C)cc(C)cc32)CC1 ZINC000819730058 1429988556 /nfs/dbraw/zinc/98/85/56/1429988556.db2.gz RISZHRLRKPOJGJ-UHFFFAOYSA-N -1 0 334.427 3.434 20 30 EGEDRM N#CCOc1ccc(Cl)cc1COc1cccc(-c2nn[n-]n2)c1 ZINC000737697708 1430043388 /nfs/dbraw/zinc/04/33/88/1430043388.db2.gz LNCRZENMYRCMCB-UHFFFAOYSA-N -1 0 341.758 3.001 20 30 EGEDRM C=CCN(Cc1ccccc1)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000819745431 1441713417 /nfs/dbraw/zinc/71/34/17/1441713417.db2.gz CMGRBROCWCIBTR-UHFFFAOYSA-N -1 0 348.410 3.395 20 30 EGEDRM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccc(F)c(F)c1 ZINC000822923833 1443214952 /nfs/dbraw/zinc/21/49/52/1443214952.db2.gz VQTBOXVJLMQZNC-GQCTYLIASA-N -1 0 330.269 3.180 20 30 EGEDRM C[C@H](Nc1snc(Cl)c1C#N)c1cccc(-c2nnn[n-]2)c1 ZINC000820462290 1443296845 /nfs/dbraw/zinc/29/68/45/1443296845.db2.gz XAJSJLKXJCCCML-ZETCQYMHSA-N -1 0 331.792 3.021 20 30 EGEDRM N#Cc1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)s1 ZINC000822825691 1443701316 /nfs/dbraw/zinc/70/13/16/1443701316.db2.gz LNIDZNQZEXRWPK-FLIBITNWSA-N -1 0 333.376 3.012 20 30 EGEDRM C=C(C)CCOC(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000819723094 1443934407 /nfs/dbraw/zinc/93/44/07/1443934407.db2.gz YGSGXENVVUPNSL-UHFFFAOYSA-N -1 0 326.278 3.009 20 30 EGEDRM CCc1oc2ccccc2c1C=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000821563888 1446271892 /nfs/dbraw/zinc/27/18/92/1446271892.db2.gz KNUMKMOZKRBORG-UHFFFAOYSA-N -1 0 346.394 3.299 20 30 EGEDRM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCCCc2ccccc2)o1 ZINC000824141948 1446392688 /nfs/dbraw/zinc/39/26/88/1446392688.db2.gz PBOFHWHYRSGKGR-UHFFFAOYSA-N -1 0 339.403 3.183 20 30 EGEDRM C=CC[C@@H](NC(=O)N[C@H](C(=O)[O-])C1CCCCC1)c1ccncc1 ZINC000780578844 939138124 /nfs/dbraw/zinc/13/81/24/939138124.db2.gz ZOUVBLJLIYHOBG-CVEARBPZSA-N -1 0 331.416 3.032 20 30 EGEDRM C=CC[C@H](NC(=O)NC1(C(=O)[O-])CCCCCC1)c1ccncc1 ZINC000929031336 939794022 /nfs/dbraw/zinc/79/40/22/939794022.db2.gz GKRYDBXHEFWNTD-HNNXBMFYSA-N -1 0 331.416 3.176 20 30 EGEDRM Cc1oc(C#N)cc1C(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC001611266130 970960556 /nfs/dbraw/zinc/96/05/56/970960556.db2.gz GUJKGFQAEAMEDN-UHFFFAOYSA-N -1 0 338.363 3.178 20 30 EGEDRM Cc1oc(C#N)cc1C(=O)Nc1cc(C(=O)[O-])ccc1Br ZINC001611266244 970960713 /nfs/dbraw/zinc/96/07/13/970960713.db2.gz RXKUYCVRKIHFDR-UHFFFAOYSA-N -1 0 349.140 3.173 20 30 EGEDRM N#CCCCOc1cccc(NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000326705323 971319021 /nfs/dbraw/zinc/31/90/21/971319021.db2.gz WAIBCZVGWYATRC-ZIAGYGMSSA-N -1 0 330.384 3.199 20 30 EGEDRM C=CCC1(CNC(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)CCCC1 ZINC001602718891 971378227 /nfs/dbraw/zinc/37/82/27/971378227.db2.gz YDVSNSDPVWDSIZ-LJQANCHMSA-N -1 0 344.455 3.465 20 30 EGEDRM C=CCOc1cc(OC)ccc1C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-] ZINC001602728994 971399299 /nfs/dbraw/zinc/39/92/99/971399299.db2.gz UZMVPJYBQHKCAK-OAHLLOKOSA-N -1 0 349.427 3.269 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N(Cc1ccccc1Cl)CC1CC1 ZINC001602779041 971514521 /nfs/dbraw/zinc/51/45/21/971514521.db2.gz QQNVBRYYROTOKW-KRWDZBQOSA-N -1 0 334.803 3.083 20 30 EGEDRM CCN(C(=O)c1coc(/C=C/C(=O)[O-])c1)[C@H](C)c1ccc(C#N)cc1 ZINC001589710680 950321117 /nfs/dbraw/zinc/32/11/17/950321117.db2.gz LBMCVFSAFUNCQM-MMQHEFTJSA-N -1 0 338.363 3.472 20 30 EGEDRM CCc1ccc([C@H](C#N)N(C)C(=O)/C=C/c2ccc(C(=O)[O-])o2)cc1 ZINC001593635520 953608812 /nfs/dbraw/zinc/60/88/12/953608812.db2.gz UZJDUEPMVCXHLM-SOGBHIHOSA-N -1 0 338.363 3.277 20 30 EGEDRM O=C(Nc1cccc(C#Cc2ccccc2)c1)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001594807846 953791470 /nfs/dbraw/zinc/79/14/70/953791470.db2.gz BTZJDFAJOBGVBF-SAABIXHNSA-N -1 0 334.375 3.071 20 30 EGEDRM O=C([O-])[C@@H](C(=O)N(O)Cc1cccc2ccccc21)C1CCCC1 ZINC001594831802 953974321 /nfs/dbraw/zinc/97/43/21/953974321.db2.gz WOIUNONAHOIYEG-QGZVFWFLSA-N -1 0 327.380 3.449 20 30 EGEDRM N#C[C@@H](CCc1ccccc1)C(=O)N1CC[C@H](C(=O)[O-])c2ccccc21 ZINC001594602798 956151432 /nfs/dbraw/zinc/15/14/32/956151432.db2.gz ZJQZVOJWLFZAJY-AEFFLSMTSA-N -1 0 348.402 3.364 20 30 EGEDRM N#CCN(C(=O)c1coc(/C=C/C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC001594610406 956202849 /nfs/dbraw/zinc/20/28/49/956202849.db2.gz YPUXAMBAFQWBBT-AATRIKPKSA-N -1 0 330.727 3.201 20 30 EGEDRM N#Cc1cc(Cl)c(C(=O)NC[C@H](C(=O)[O-])C2CCC2)c(Cl)c1 ZINC001594616753 956243764 /nfs/dbraw/zinc/24/37/64/956243764.db2.gz ROIVRWKVXHPKEH-JTQLQIEISA-N -1 0 341.194 3.096 20 30 EGEDRM N#Cc1cc2ccccc2cc1NC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001594617557 956250546 /nfs/dbraw/zinc/25/05/46/956250546.db2.gz OYRDVXOFEXLHPQ-UHFFFAOYSA-N -1 0 346.342 3.427 20 30 EGEDRM N#Cc1ccc(NC(=O)N[C@@H](C(=O)[O-])c2ccc(F)cc2)c(Cl)c1 ZINC001594622724 956292172 /nfs/dbraw/zinc/29/21/72/956292172.db2.gz IJHYAMOKUXZJHP-CQSZACIVSA-N -1 0 347.733 3.298 20 30 EGEDRM N#Cc1ccc(NC(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1F ZINC001594623149 956296651 /nfs/dbraw/zinc/29/66/51/956296651.db2.gz WQTJHAKCZLUZBP-HOCLYGCPSA-N -1 0 339.326 3.132 20 30 EGEDRM C[C@@]1(C(=O)[O-])CCCN1C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC001589188898 956585328 /nfs/dbraw/zinc/58/53/28/956585328.db2.gz LGFMZJGTNKHJQF-FQEVSTJZSA-N -1 0 349.390 3.381 20 30 EGEDRM O=C([O-])c1ccccc1NC(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC001594667776 956593442 /nfs/dbraw/zinc/59/34/42/956593442.db2.gz MXDYXKJLYCZCMY-UHFFFAOYSA-N -1 0 333.265 3.394 20 30 EGEDRM Cc1cc(/C=C/C(=O)c2ccc(OCC(=O)[O-])cc2)cc(C)c1O ZINC000008321948 956886617 /nfs/dbraw/zinc/88/66/17/956886617.db2.gz WOVAWENLNVGFAB-FPYGCLRLSA-N -1 0 326.348 3.369 20 30 EGEDRM C=CCn1c(C)cc(C(=O)COc2ccc(C(=O)[O-])cc2OC)c1C ZINC000013419854 957062061 /nfs/dbraw/zinc/06/20/61/957062061.db2.gz LMHJBXNLIAAYBW-UHFFFAOYSA-N -1 0 343.379 3.259 20 30 EGEDRM O=C([O-])c1ccc(C(=O)Nc2cccc(C#Cc3ccccc3)c2)nc1 ZINC001574796309 957823276 /nfs/dbraw/zinc/82/32/76/957823276.db2.gz JTKVJFZUGGJAEG-UHFFFAOYSA-N -1 0 342.354 3.432 20 30 EGEDRM Cc1cc(NC(=O)N(C)Cc2cc(C#N)cs2)ccc1C(=O)[O-] ZINC001594318319 958097793 /nfs/dbraw/zinc/09/77/93/958097793.db2.gz SVUKPUDAEUXLID-UHFFFAOYSA-N -1 0 329.381 3.290 20 30 EGEDRM C=C(C)CN(Cc1ccc(CO)o1)C(=O)C1(C(=O)[O-])CCCCCC1 ZINC001588439659 958321332 /nfs/dbraw/zinc/32/13/32/958321332.db2.gz FJJVQNSWHUKDNP-UHFFFAOYSA-N -1 0 349.427 3.102 20 30 EGEDRM C=CC[C@H](Cc1ccccc1)NC(=O)Nc1cccnc1C(=O)[O-] ZINC001588452650 958425167 /nfs/dbraw/zinc/42/51/67/958425167.db2.gz GSPYVCGUSCETLD-CQSZACIVSA-N -1 0 325.368 3.089 20 30 EGEDRM C=CCCC1(CNC(=O)c2cccc(OCC(=O)[O-])c2)CCCC1 ZINC001573328896 958503609 /nfs/dbraw/zinc/50/36/09/958503609.db2.gz RYYZSEROPRILCQ-UHFFFAOYSA-N -1 0 331.412 3.406 20 30 EGEDRM C=CCOc1ccc(CC(=O)N2CCCC[C@@H]2CCC(=O)[O-])cc1 ZINC001588466375 958512273 /nfs/dbraw/zinc/51/22/73/958512273.db2.gz MSUZVPCNPDGCCI-MRXNPFEDSA-N -1 0 331.412 3.040 20 30 EGEDRM C=CCc1ccc(OCC(=O)Nc2sccc2C(=O)[O-])c(OC)c1 ZINC001588470866 958532046 /nfs/dbraw/zinc/53/20/46/958532046.db2.gz XACVBIXJXXWRBZ-UHFFFAOYSA-N -1 0 347.392 3.201 20 30 EGEDRM C[C@@H](NC(=O)c1cc(C#N)ccc1Cl)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001603234482 972363987 /nfs/dbraw/zinc/36/39/87/972363987.db2.gz PGOXSXDNASHSBR-JIMOISOXSA-N -1 0 334.803 3.077 20 30 EGEDRM Cc1csc(NC(=O)N[C@@H](C(=O)[O-])c2cccc(C)c2)c1C#N ZINC001594395278 958764402 /nfs/dbraw/zinc/76/44/02/958764402.db2.gz YUXCPSZMUFGTOK-CYBMUJFWSA-N -1 0 329.381 3.184 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1cccc(Cl)c1Br ZINC001588539960 958955553 /nfs/dbraw/zinc/95/55/53/958955553.db2.gz IDSUHUCZMORTLF-GFCCVEGCSA-N -1 0 345.580 3.046 20 30 EGEDRM C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001588545355 958994318 /nfs/dbraw/zinc/99/43/18/958994318.db2.gz RHGXCCSVDOKKKV-ZIAGYGMSSA-N -1 0 345.399 3.086 20 30 EGEDRM C[C@@H](C(=O)[O-])C(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 ZINC001588584466 959287710 /nfs/dbraw/zinc/28/77/10/959287710.db2.gz DSZFKNHEPVHGDD-ZJUUUORDSA-N -1 0 334.441 3.430 20 30 EGEDRM Cc1nc(N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c(Cl)cc1C#N ZINC001594457143 959430401 /nfs/dbraw/zinc/43/04/01/959430401.db2.gz XZRJYTKLBKZNNT-LSDHHAIUSA-N -1 0 341.798 3.220 20 30 EGEDRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC001594227685 959440830 /nfs/dbraw/zinc/44/08/30/959440830.db2.gz FLNFROSUSYYBJJ-BLVKFPJESA-N -1 0 336.347 3.400 20 30 EGEDRM CC(C)(C)[C@H](C(=O)[O-])C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1 ZINC001588635333 959651975 /nfs/dbraw/zinc/65/19/75/959651975.db2.gz IIQTZFJDGGRFQZ-RYUDHWBXSA-N -1 0 342.317 3.133 20 30 EGEDRM C=CCC[C@@H]1CCCN1C(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC001123391308 960476602 /nfs/dbraw/zinc/47/66/02/960476602.db2.gz SFEYEHHOOVGNGL-CYBMUJFWSA-N -1 0 326.396 3.366 20 30 EGEDRM Cc1cc(NC(=O)Nc2nc(Cl)c(C#N)s2)ccc1C(=O)[O-] ZINC001574341489 960942000 /nfs/dbraw/zinc/94/20/00/960942000.db2.gz WCSQTPSTSTXKDY-UHFFFAOYSA-N -1 0 336.760 3.319 20 30 EGEDRM N#C[C@@H](NC(=O)C1(CC(=O)[O-])CCC1)c1ccc(Cl)c(Cl)c1 ZINC001574474447 961639166 /nfs/dbraw/zinc/63/91/66/961639166.db2.gz OJKPAAVHRUOUOF-GFCCVEGCSA-N -1 0 341.194 3.319 20 30 EGEDRM CCc1ccc([C@H](C#N)NC(=O)C2(C(=O)[O-])CCCCCC2)cc1 ZINC001573954554 961663554 /nfs/dbraw/zinc/66/35/54/961663554.db2.gz OBMKMJGXZDLJMO-INIZCTEOSA-N -1 0 328.412 3.355 20 30 EGEDRM CC(C)C[C@H](CNC(=O)c1ccc(C(C)(C)C#N)cc1)CC(=O)[O-] ZINC001588894225 962221846 /nfs/dbraw/zinc/22/18/46/962221846.db2.gz DNDJEHFSVYAAPG-AWEZNQCLSA-N -1 0 330.428 3.355 20 30 EGEDRM C#CCCOc1ccc(C(=O)Nc2c(C)csc2C(=O)[O-])cc1 ZINC001573301611 962632143 /nfs/dbraw/zinc/63/21/43/962632143.db2.gz HHUWIKPUKHETGF-UHFFFAOYSA-N -1 0 329.377 3.409 20 30 EGEDRM C=C(C)C[C@H](NC(=O)c1csc(-c2ccccc2C)n1)C(=O)[O-] ZINC001573324814 962790681 /nfs/dbraw/zinc/79/06/81/962790681.db2.gz YYJTWLCEPAUEIH-ZDUSSCGKSA-N -1 0 330.409 3.268 20 30 EGEDRM C=C(C)Cn1c(-c2ccccc2C)nnc1N1CCC(C(=O)[O-])CC1 ZINC001573326449 962803754 /nfs/dbraw/zinc/80/37/54/962803754.db2.gz WBLYJAYNMPYFEA-UHFFFAOYSA-N -1 0 340.427 3.131 20 30 EGEDRM Cc1cc(F)c(C#N)cc1NC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001605178679 972887773 /nfs/dbraw/zinc/88/77/73/972887773.db2.gz CAUSXMGFWMESNZ-KGYLQXTDSA-N -1 0 347.390 3.263 20 30 EGEDRM Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CCC(=O)[O-] ZINC001605180120 972896764 /nfs/dbraw/zinc/89/67/64/972896764.db2.gz VVYTWJQVJSLBSV-UHFFFAOYSA-N -1 0 340.354 3.404 20 30 EGEDRM C[C@@H]1CCc2c(sc(NC(=O)c3ccc(C#N)n3C)c2C(=O)[O-])C1 ZINC001603434018 973195556 /nfs/dbraw/zinc/19/55/56/973195556.db2.gz LVGCKPCZEBQXON-SECBINFHSA-N -1 0 343.408 3.034 20 30 EGEDRM C[C@H]1CCc2c(sc(NC(=O)c3ccc(C#N)n3C)c2C(=O)[O-])C1 ZINC001603434024 973195907 /nfs/dbraw/zinc/19/59/07/973195907.db2.gz LVGCKPCZEBQXON-VIFPVBQESA-N -1 0 343.408 3.034 20 30 EGEDRM N#Cc1cc(F)cc(NCc2ccc(N3CCC(C(=O)[O-])CC3)o2)c1 ZINC001605591833 973889284 /nfs/dbraw/zinc/88/92/84/973889284.db2.gz CATGVVQPYONJAB-UHFFFAOYSA-N -1 0 343.358 3.203 20 30 EGEDRM N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001605612993 973930542 /nfs/dbraw/zinc/93/05/42/973930542.db2.gz ZEKFQLWUPQVHEN-QQOXCAACSA-N -1 0 336.347 3.056 20 30 EGEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc(C(=O)[O-])s1 ZINC001591759060 975839612 /nfs/dbraw/zinc/83/96/12/975839612.db2.gz SSSQPHLPJQUAGF-UHFFFAOYSA-N -1 0 330.365 3.357 20 30 EGEDRM CC(C)c1nc(NC(=O)CC#Cc2ccccc2)sc1C(=O)[O-] ZINC001592021765 976717548 /nfs/dbraw/zinc/71/75/48/976717548.db2.gz HQQGRGQGKYAAAD-UHFFFAOYSA-N -1 0 328.393 3.345 20 30 EGEDRM C[C@@H](CC#N)C(=O)OCc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001592222532 977408346 /nfs/dbraw/zinc/40/83/46/977408346.db2.gz YBFZWQMTHRRBEH-JTQLQIEISA-N -1 0 330.365 3.101 20 30 EGEDRM C[C@@H](CN(Cc1ccccc1)c1nc(C#N)c(Cl)s1)C(=O)[O-] ZINC001592610047 978559584 /nfs/dbraw/zinc/55/95/84/978559584.db2.gz PZZIAUSXYZSZQU-JTQLQIEISA-N -1 0 335.816 3.395 20 30 EGEDRM CC(CN1Cc2ccccc2C1)N=Nc1cccc(C(=O)[O-])c1F ZINC001592625848 978606707 /nfs/dbraw/zinc/60/67/07/978606707.db2.gz XXGUBCYBAPEOAI-UHFFFAOYSA-N -1 0 327.359 3.328 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1NN=Cc1ncc(C(F)(F)F)s1 ZINC000788437805 978797077 /nfs/dbraw/zinc/79/70/77/978797077.db2.gz VHAXJSHKJRAZBY-UHFFFAOYSA-N -1 0 345.302 3.315 20 30 EGEDRM C[C@@H](Oc1ccc(/C=C2\CCc3cc(C#N)cnc3C2=O)cc1)C(=O)[O-] ZINC000794711202 978817618 /nfs/dbraw/zinc/81/76/18/978817618.db2.gz BAZBNRCQCZXBBK-GGNJANJASA-N -1 0 348.358 3.018 20 30 EGEDRM COc1ccc2c(c1OC)O/C(=C\c1cccc(C(=O)[O-])c1)C2=O ZINC000799499017 978841516 /nfs/dbraw/zinc/84/15/16/978841516.db2.gz MZUDDMKVVZAZHW-ZROIWOOFSA-N -1 0 326.304 3.018 20 30 EGEDRM O=C([O-])Cn1cc(C=NNCc2ccc(F)cc2F)c2ccccc21 ZINC000799878112 978843440 /nfs/dbraw/zinc/84/34/40/978843440.db2.gz LTHJYOQXEAJVRD-UHFFFAOYSA-N -1 0 343.333 3.128 20 30 EGEDRM O=C([O-])c1ccccc1NN=C1C(=O)Nc2cccc(C(F)(F)F)c21 ZINC000800808436 978846855 /nfs/dbraw/zinc/84/68/55/978846855.db2.gz KPAYAFIEMTWNPQ-UHFFFAOYSA-N -1 0 349.268 3.172 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1N=NCc1ccc(C(F)(F)F)[nH]1 ZINC000807981175 978851820 /nfs/dbraw/zinc/85/18/20/978851820.db2.gz DRBBMPKVRSLTKI-UHFFFAOYSA-N -1 0 327.262 3.186 20 30 EGEDRM COc1ccc(C(=O)/C=C/c2ccc(O[C@H](C)C(=O)[O-])cc2)cc1O ZINC000811699396 978855235 /nfs/dbraw/zinc/85/52/35/978855235.db2.gz TXEIZJBPFUNJMG-BIPYJSMBSA-N -1 0 342.347 3.149 20 30 EGEDRM O=C([O-])C1CCC(=NNC(=S)Nc2cccc(Cl)c2)CC1 ZINC000814737069 978878505 /nfs/dbraw/zinc/87/85/05/978878505.db2.gz WBBKHOUVOCEWHC-UHFFFAOYSA-N -1 0 325.821 3.257 20 30 EGEDRM CC(N=Nc1ccc(S(C)(=O)=O)cc1)[C@H](C)CCCCC(=O)[O-] ZINC000814802452 978886529 /nfs/dbraw/zinc/88/65/29/978886529.db2.gz IJJLSJPKZLJFLR-GFCCVEGCSA-N -1 0 340.445 3.159 20 30 EGEDRM C[C@@H]1C(N=Nc2ccc(Br)cn2)CC[C@H]1CC(=O)[O-] ZINC000814832552 978890451 /nfs/dbraw/zinc/89/04/51/978890451.db2.gz QROJUQQZHKZKOQ-IUCAKERBSA-N -1 0 326.194 3.133 20 30 EGEDRM COC(=O)c1ccc(N=NC2CC[C@@H](CC(=O)[O-])[C@H]2C)cc1Cl ZINC000814902306 978897241 /nfs/dbraw/zinc/89/72/41/978897241.db2.gz RZGWPJZWYKWJFH-ZJUUUORDSA-N -1 0 338.791 3.415 20 30 EGEDRM CC(C)c1ccc(-c2ncc(CN(CC#N)CC(=O)[O-])s2)cc1 ZINC000827112704 978953075 /nfs/dbraw/zinc/95/30/75/978953075.db2.gz LZNYOWDHPIFJAA-UHFFFAOYSA-N -1 0 329.425 3.344 20 30 EGEDRM O=C([O-])c1cccc(NN=Cc2ccc(OC[C@H]3CCCO3)cc2)c1 ZINC000839384732 979273564 /nfs/dbraw/zinc/27/35/64/979273564.db2.gz ZFXKRTHYABOLRW-GOSISDBHSA-N -1 0 340.379 3.389 20 30 EGEDRM C=C(Cl)CN1Cc2cccc(Br)c2C[C@H]1C(=O)[O-] ZINC000846275757 979443347 /nfs/dbraw/zinc/44/33/47/979443347.db2.gz JTSMPLHQWBOYSL-LBPRGKRZSA-N -1 0 330.609 3.013 20 30 EGEDRM C[C@H](Cc1ccc(Nc2ccc(C#N)cc2[N+](=O)[O-])cc1)C(=O)[O-] ZINC001592882531 979752522 /nfs/dbraw/zinc/75/25/22/979752522.db2.gz FVJMDWBKQMUIEU-LLVKDONJSA-N -1 0 325.324 3.473 20 30 EGEDRM CC(C)(CC(=O)[O-])CC(=O)N[C@@H](c1cccc(C#N)c1)C(F)(F)F ZINC000873002025 980163257 /nfs/dbraw/zinc/16/32/57/980163257.db2.gz AOOONPQOYNJQRL-AWEZNQCLSA-N -1 0 342.317 3.169 20 30 EGEDRM CC[C@@H](OC1CCCCC1)C(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC001595357258 980720953 /nfs/dbraw/zinc/72/09/53/980720953.db2.gz WSQMHQZQTZAWQQ-QGZVFWFLSA-N -1 0 345.395 3.428 20 30 EGEDRM CCC1(CC)CCC(NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)CC1 ZINC001595374374 980882893 /nfs/dbraw/zinc/88/28/93/980882893.db2.gz DYYRNDQUUWXORJ-UHFFFAOYSA-N -1 0 335.448 3.135 20 30 EGEDRM C[C@H](Cc1ccc(NCc2cc(C#N)ccc2N(C)C)cc1)C(=O)[O-] ZINC000904015134 981080619 /nfs/dbraw/zinc/08/06/19/981080619.db2.gz GITVDNQVFOSCAF-CQSZACIVSA-N -1 0 337.423 3.500 20 30 EGEDRM C=C(C)[C@H](CC(=O)N(Cc1ccccc1)C[C@@H](C)C(=O)[O-])OCC ZINC000908841797 981375172 /nfs/dbraw/zinc/37/51/72/981375172.db2.gz OBIVYOIGPDFYHZ-WBVHZDCISA-N -1 0 333.428 3.107 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)[C@@H](C)c1ccc(C(=O)C(C)C)cc1)C(=O)[O-] ZINC000910295441 981849696 /nfs/dbraw/zinc/84/96/96/981849696.db2.gz VOLISDBNYAPTRP-XJKSGUPXSA-N -1 0 331.412 3.164 20 30 EGEDRM CCCCCCCC(=O)N1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)[O-])C1 ZINC001595702318 982263340 /nfs/dbraw/zinc/26/33/40/982263340.db2.gz GSHWSSWIFXCFCF-DLBZAZTESA-N -1 0 333.428 3.379 20 30 EGEDRM CCCCCCCCOCC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC001595704366 982274049 /nfs/dbraw/zinc/27/40/49/982274049.db2.gz IBQWBGWVPUZCFW-SFHVURJKSA-N -1 0 347.455 3.402 20 30 EGEDRM CC[C@@H](C)[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)C(=O)[O-] ZINC001594921815 982471798 /nfs/dbraw/zinc/47/17/98/982471798.db2.gz ULMOMTWCULLAFA-ACJLOTCBSA-N -1 0 343.427 3.181 20 30 EGEDRM CC[C@H](C)[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)C(=O)[O-] ZINC001594921818 982471892 /nfs/dbraw/zinc/47/18/92/982471892.db2.gz ULMOMTWCULLAFA-UGSOOPFHSA-N -1 0 343.427 3.181 20 30 EGEDRM O=C([O-])c1ccc(N=NCc2c[nH]nc2-c2ccc(Cl)cc2)nc1 ZINC001116410105 982930275 /nfs/dbraw/zinc/93/02/75/982930275.db2.gz TZCOACJLQFEQHK-UHFFFAOYSA-N -1 0 341.758 3.269 20 30 EGEDRM C#C[C@@H](NC(=O)NCC1(CC(=O)[O-])CCCC1)c1ccc(Cl)cc1 ZINC001588372399 983330744 /nfs/dbraw/zinc/33/07/44/983330744.db2.gz JSFCBMNPRWWZBA-OAHLLOKOSA-N -1 0 348.830 3.349 20 30 EGEDRM C#C[C@@H](NC(=O)Cc1cccc(C(=O)[O-])c1)c1ccc(Cl)cc1F ZINC001588372477 983331179 /nfs/dbraw/zinc/33/11/79/983331179.db2.gz LPPMHWHWCIJVPO-MRXNPFEDSA-N -1 0 345.757 3.211 20 30 EGEDRM C#CCN(Cc1ccccc1)[C@@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC001588470013 983504573 /nfs/dbraw/zinc/50/45/73/983504573.db2.gz YYIIVYNUICIBJH-HNNXBMFYSA-N -1 0 338.407 3.036 20 30 EGEDRM C#CCOc1ccc(C(=O)N2CCCc3ccc(C)c(C(=O)[O-])c32)cc1 ZINC001588499235 983545011 /nfs/dbraw/zinc/54/50/11/983545011.db2.gz RKJULGGDUWMBPB-UHFFFAOYSA-N -1 0 349.386 3.298 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)Cc1c2ccc(C)cc2oc1C(C)=O)C(=O)[O-] ZINC001588542825 983610011 /nfs/dbraw/zinc/61/00/11/983610011.db2.gz SFSQSJBPWGYJGM-OAHLLOKOSA-N -1 0 343.379 3.022 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)COc1ccccc1-c1ccccc1)C(=O)[O-] ZINC001588543288 983611323 /nfs/dbraw/zinc/61/13/23/983611323.db2.gz ZVZJIRGVRSCWIM-QGZVFWFLSA-N -1 0 339.391 3.268 20 30 EGEDRM C=C(C)CCNC(=O)N1CCC(Cc2ccccc2C(=O)[O-])CC1 ZINC001588560029 983641152 /nfs/dbraw/zinc/64/11/52/983641152.db2.gz YUAQQIDYHUDORX-UHFFFAOYSA-N -1 0 330.428 3.315 20 30 EGEDRM C=C(C)CN(CC)C(=O)[C@@H](C)Oc1ccc(C(=O)[O-])c(Cl)c1 ZINC001588562875 983644184 /nfs/dbraw/zinc/64/41/84/983644184.db2.gz KIBPDFBAKUNJFS-LLVKDONJSA-N -1 0 325.792 3.230 20 30 EGEDRM C=C(C)Cc1cccc(C(=O)[O-])c1OCc1noc2c1COCC2 ZINC001588577362 983656297 /nfs/dbraw/zinc/65/62/97/983656297.db2.gz SVTJCOFKWCEJQQ-UHFFFAOYSA-N -1 0 329.352 3.143 20 30 EGEDRM C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC001588599231 983689064 /nfs/dbraw/zinc/68/90/64/983689064.db2.gz JTBIPUCQXJHIPY-HOCLYGCPSA-N -1 0 335.425 3.173 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N1CCCC[C@@H]1c1nc2ccccc2n1C ZINC001588615557 983712516 /nfs/dbraw/zinc/71/25/16/983712516.db2.gz YAXSQOFQKXSXJY-MRXNPFEDSA-N -1 0 341.411 3.048 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC001588633146 983748019 /nfs/dbraw/zinc/74/80/19/983748019.db2.gz JCGSQMQDVRWMNP-UHFFFAOYSA-N -1 0 334.372 3.233 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1nc2ccccc2n1CCC(C)C ZINC001588633346 983749180 /nfs/dbraw/zinc/74/91/80/983749180.db2.gz LRKMVZIJCLVGGR-UHFFFAOYSA-N -1 0 329.400 3.442 20 30 EGEDRM C=C(Cn1c(C(C)C)nnc1N1CC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC001588643564 983766480 /nfs/dbraw/zinc/76/64/80/983766480.db2.gz LLSGKQSIUBPPOZ-MRXNPFEDSA-N -1 0 340.427 3.026 20 30 EGEDRM C=C[C@@H](C(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)[O-])c1ccccc1 ZINC001588664266 983799652 /nfs/dbraw/zinc/79/96/52/983799652.db2.gz PDTFXJFXXFYHFY-SJLPKXTDSA-N -1 0 341.382 3.155 20 30 EGEDRM C=CC(C)(C)CCCNS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C ZINC001588677121 983833930 /nfs/dbraw/zinc/83/39/30/983833930.db2.gz RPOORWSIDDSIAZ-UHFFFAOYSA-N -1 0 343.420 3.103 20 30 EGEDRM C=C[C@](C)(CCOC)C(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1 ZINC001588683190 983847293 /nfs/dbraw/zinc/84/72/93/983847293.db2.gz VNLCCDWJMNQZTA-MRXNPFEDSA-N -1 0 340.445 3.306 20 30 EGEDRM C=CCC(C)(C)c1noc(Cc2[nH]c(C(C)=O)c(C)c2C(=O)[O-])n1 ZINC001588736514 984025437 /nfs/dbraw/zinc/02/54/37/984025437.db2.gz MMNQVYSVGIIRCL-UHFFFAOYSA-N -1 0 331.372 3.051 20 30 EGEDRM C=CCC(F)(F)C(=O)N[C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001588742385 984032231 /nfs/dbraw/zinc/03/22/31/984032231.db2.gz BPUIKQIVBKCPJR-SNVBAGLBSA-N -1 0 337.244 3.159 20 30 EGEDRM C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001588744717 984045425 /nfs/dbraw/zinc/04/54/25/984045425.db2.gz PVLUUAYMOPBLCD-IKGGRYGDSA-N -1 0 330.428 3.116 20 30 EGEDRM C=CC[C@@H](Sc1nnc(-c2cccc(OC)c2)n1CC=C)C(=O)[O-] ZINC001588757527 984103140 /nfs/dbraw/zinc/10/31/40/984103140.db2.gz ALGBMTOMKFFHFX-CQSZACIVSA-N -1 0 345.424 3.261 20 30 EGEDRM C=CC[C@@H](Sc1nnc2cc(C)c3ccc(OC)cc3n21)C(=O)[O-] ZINC001588761824 984114160 /nfs/dbraw/zinc/11/41/60/984114160.db2.gz CDALXFHQUKLQHK-CQSZACIVSA-N -1 0 343.408 3.321 20 30 EGEDRM C=CC[C@@H](Sc1nnc(NCCc2ccccc2)s1)C(=O)[O-] ZINC001588763681 984120097 /nfs/dbraw/zinc/12/00/97/984120097.db2.gz WFBWCFXLSVVAQW-GFCCVEGCSA-N -1 0 335.454 3.314 20 30 EGEDRM C=CCC1(C(=O)NCc2cccc(OCC(=O)[O-])c2)CCCCC1 ZINC001588764737 984123446 /nfs/dbraw/zinc/12/34/46/984123446.db2.gz HQOUUOABYWQQDL-UHFFFAOYSA-N -1 0 331.412 3.293 20 30 EGEDRM C=CC[C@@H]1CCN(C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)C1 ZINC001588772430 984143140 /nfs/dbraw/zinc/14/31/40/984143140.db2.gz FRXWDQZALMJADW-SNVBAGLBSA-N -1 0 340.326 3.416 20 30 EGEDRM C=CC[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)C1 ZINC001588773256 984147633 /nfs/dbraw/zinc/14/76/33/984147633.db2.gz YQKFSUZCDFZTEV-LLVKDONJSA-N -1 0 343.832 3.015 20 30 EGEDRM C=CCCC[C@@H](NC(=O)CCc1c[nH]c2cc(C)ccc12)C(=O)[O-] ZINC001588788842 984194019 /nfs/dbraw/zinc/19/40/19/984194019.db2.gz PKQWUDABVYOGGX-MRXNPFEDSA-N -1 0 328.412 3.335 20 30 EGEDRM C=CCCC[C@@H](NC(=O)CO[C@@H]1CCCc2ccccc21)C(=O)[O-] ZINC001588788934 984194506 /nfs/dbraw/zinc/19/45/06/984194506.db2.gz RXOZIHUWWUJOGM-IAGOWNOFSA-N -1 0 331.412 3.006 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1sc2ncccc2c1Cl)C(=O)[O-] ZINC001588797766 984231300 /nfs/dbraw/zinc/23/13/00/984231300.db2.gz LUQNOJMIQUYKFX-JTQLQIEISA-N -1 0 338.816 3.489 20 30 EGEDRM C=CCCCCCNS(=O)(=O)c1cccc(Cl)c1C(=O)[O-] ZINC001588799807 984242459 /nfs/dbraw/zinc/24/24/59/984242459.db2.gz JGMZKZWFAIPTBT-UHFFFAOYSA-N -1 0 331.821 3.063 20 30 EGEDRM C=CCCCCCCNS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC001588800059 984244114 /nfs/dbraw/zinc/24/41/14/984244114.db2.gz YKTFTRVYIHTKCV-UHFFFAOYSA-N -1 0 345.848 3.453 20 30 EGEDRM C=CCN(CCc1ccco1)C(=O)Nc1ccc(C(=O)[O-])cc1OC ZINC001588829250 984313238 /nfs/dbraw/zinc/31/32/38/984313238.db2.gz LXKSIVIVWNTESQ-UHFFFAOYSA-N -1 0 344.367 3.249 20 30 EGEDRM C=CCOc1ccc(C(F)(F)F)cc1C(=O)O[C@H](C(=O)[O-])C1CC1 ZINC001588875061 984450634 /nfs/dbraw/zinc/45/06/34/984450634.db2.gz SZBVYAZDLAYTEQ-ZDUSSCGKSA-N -1 0 344.285 3.290 20 30 EGEDRM C=CCOc1ccc(C(=O)Oc2ccccc2C(=O)[O-])cc1OC ZINC001588875087 984451019 /nfs/dbraw/zinc/45/10/19/984451019.db2.gz VEQQINHGMLDIGS-UHFFFAOYSA-N -1 0 328.320 3.177 20 30 EGEDRM C=CC[S@](=O)(=NC(=O)c1cccc(C(=O)[O-])c1)c1ccccc1 ZINC001588879110 984456687 /nfs/dbraw/zinc/45/66/87/984456687.db2.gz SLYLGVDFLOIFMC-HSZRJFAPSA-N -1 0 329.377 3.238 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)COc1ccccc1 ZINC001588885282 984467037 /nfs/dbraw/zinc/46/70/37/984467037.db2.gz NUNLIURHKCUPNB-UHFFFAOYSA-N -1 0 342.347 3.106 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1cccc(OC)c1 ZINC001588885714 984469191 /nfs/dbraw/zinc/46/91/91/984469191.db2.gz XIAOMRJXWPIPAD-UHFFFAOYSA-N -1 0 342.347 3.350 20 30 EGEDRM C=CCc1ccc(OC(=O)c2ccc(C(=O)[O-])cc2F)c(OC)c1 ZINC001588885731 984469376 /nfs/dbraw/zinc/46/93/76/984469376.db2.gz TWCJIOWVEWQOOJ-UHFFFAOYSA-N -1 0 330.311 3.480 20 30 EGEDRM C=CCn1c(S[C@@H](CC(C)C)C(=O)[O-])nnc1-c1cccnc1 ZINC001588905528 984537161 /nfs/dbraw/zinc/53/71/61/984537161.db2.gz XRHKMASFPXXFMV-ZDUSSCGKSA-N -1 0 332.429 3.118 20 30 EGEDRM C=CCn1c(SC/C(C)=C/C(=O)[O-])nnc1-c1ccccc1OC ZINC001588907455 984539413 /nfs/dbraw/zinc/53/94/13/984539413.db2.gz NQDDLYPYZBLNCN-ZRDIBKRKSA-N -1 0 345.424 3.263 20 30 EGEDRM C=CCn1cnnc1S[C@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC001588909168 984543010 /nfs/dbraw/zinc/54/30/10/984543010.db2.gz MSXXQZLBTYJMIX-NSHDSACASA-N -1 0 343.330 3.401 20 30 EGEDRM CC(=NNc1ncnc2sc(C)c(C)c21)c1cc(C(=O)[O-])co1 ZINC001589017204 985001552 /nfs/dbraw/zinc/00/15/52/985001552.db2.gz BOZMAYSYBPLVLQ-UHFFFAOYSA-N -1 0 330.369 3.435 20 30 EGEDRM Cc1c(C(=O)/C=C/c2cc(C(=O)[O-])n(C)c2)cnn1-c1ccccc1 ZINC001599975246 986078825 /nfs/dbraw/zinc/07/88/25/986078825.db2.gz VVNDVJPXAPRQLY-CMDGGOBGSA-N -1 0 335.363 3.114 20 30 EGEDRM CCOc1c(F)cccc1C(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC001596991547 986270728 /nfs/dbraw/zinc/27/07/28/986270728.db2.gz NEKHPPQDRFJFAO-UHFFFAOYSA-N -1 0 343.310 3.151 20 30 EGEDRM CCOc1ccc(NC(=O)N(C[C@@H](C)C#N)C2CC2)c(C(=O)[O-])c1F ZINC001597118323 986797150 /nfs/dbraw/zinc/79/71/50/986797150.db2.gz TTYMRAHOGQBBMG-JTQLQIEISA-N -1 0 349.362 3.079 20 30 EGEDRM CCC(C#N)(CC)C(=O)N1CCC(Cc2ccccc2C(=O)[O-])CC1 ZINC001594723030 987218212 /nfs/dbraw/zinc/21/82/12/987218212.db2.gz ZKYDLKNDUFRNIH-UHFFFAOYSA-N -1 0 342.439 3.496 20 30 EGEDRM CC(C)(C#N)c1ccc(C(=O)Nc2nc(CCC(=O)[O-])cs2)cc1 ZINC001589558285 987309421 /nfs/dbraw/zinc/30/94/21/987309421.db2.gz NKJJBZIWCYFEEM-UHFFFAOYSA-N -1 0 343.408 3.214 20 30 EGEDRM CC(C)(C#N)c1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCC[C@@H]32)cc1 ZINC001589558379 987310274 /nfs/dbraw/zinc/31/02/74/987310274.db2.gz PBKYZQNETBESFS-IKGGRYGDSA-N -1 0 340.423 3.203 20 30 EGEDRM CC(C)(C(=O)[O-])N(Cc1ccccc1)C(=O)c1cscc1C#N ZINC001589616838 987485859 /nfs/dbraw/zinc/48/58/59/987485859.db2.gz PKSRHRMKWXKVKA-UHFFFAOYSA-N -1 0 328.393 3.125 20 30 EGEDRM CCc1[nH]c(C(=O)Nc2ccccc2O[C@@H](C)C#N)c(C)c1C(=O)[O-] ZINC001597374234 987561215 /nfs/dbraw/zinc/56/12/15/987561215.db2.gz ICTFVVGLHCPGCR-JTQLQIEISA-N -1 0 341.367 3.127 20 30 EGEDRM CCc1ccc([C@H](C#N)N(C)C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC001597509081 988089559 /nfs/dbraw/zinc/08/95/59/988089559.db2.gz WPVXCTZVPOOGBK-ZACQAIPSSA-N -1 0 328.412 3.163 20 30 EGEDRM CCc1nnc(Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)c(C#N)c1CC ZINC001597735776 989079667 /nfs/dbraw/zinc/07/96/67/989079667.db2.gz GLZWDMRSXJVPIH-LSDHHAIUSA-N -1 0 336.395 3.405 20 30 EGEDRM CC(C)(CC#N)CNC(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC001590615532 990291109 /nfs/dbraw/zinc/29/11/09/990291109.db2.gz WOFSKQHPEIFSNV-ZDUSSCGKSA-N -1 0 337.807 3.095 20 30 EGEDRM CC(C)(CC(=O)[O-])CC(=O)Nc1cccc(C#N)c1Br ZINC001590636755 990324880 /nfs/dbraw/zinc/32/48/80/990324880.db2.gz HKLRVUPGPNKJFG-UHFFFAOYSA-N -1 0 339.189 3.150 20 30 EGEDRM CN(CCC#N)c1ccc(CN2Cc3ccc(C(=O)[O-])cc3C2)cc1 ZINC001598468795 991992037 /nfs/dbraw/zinc/99/20/37/991992037.db2.gz KWBXBABEZFGEFV-UHFFFAOYSA-N -1 0 335.407 3.250 20 30 EGEDRM CN(Cc1cc(Br)ccc1C(=O)[O-])CC(C)(C)C#N ZINC001598504803 992488296 /nfs/dbraw/zinc/48/82/96/992488296.db2.gz LCICDCNZMUXIGN-UHFFFAOYSA-N -1 0 325.206 3.129 20 30 EGEDRM CN(Cc1ccccc1C(F)(F)F)c1ccc(C(=O)[O-])nc1C#N ZINC001598529445 992760967 /nfs/dbraw/zinc/76/09/67/992760967.db2.gz KDHFCECNWKFZQX-UHFFFAOYSA-N -1 0 335.285 3.307 20 30 EGEDRM C[C@]1(C#N)CCN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC001593743034 996364941 /nfs/dbraw/zinc/36/49/41/996364941.db2.gz NTZZMRIJUZZSKQ-QGZVFWFLSA-N -1 0 327.409 3.244 20 30 EGEDRM COCc1cc(NCCCOc2cccc(C#N)c2)cc(C(=O)[O-])c1 ZINC001599289881 997045825 /nfs/dbraw/zinc/04/58/25/997045825.db2.gz PJDCQXBYSARIGP-UHFFFAOYSA-N -1 0 340.379 3.284 20 30 EGEDRM CON(Cc1ccccc1Cl)[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001599318626 997542448 /nfs/dbraw/zinc/54/24/48/997542448.db2.gz OFAZWRMDOCKJQS-INIZCTEOSA-N -1 0 330.771 3.401 20 30 EGEDRM COc1cc(CNc2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)ccc1C#N ZINC001599418468 997552881 /nfs/dbraw/zinc/55/28/81/997552881.db2.gz LBQFHYFVPATYAA-UHFFFAOYSA-N -1 0 341.323 3.094 20 30 EGEDRM CON=Cc1ccc(C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)cc1 ZINC001599320997 997580077 /nfs/dbraw/zinc/58/00/77/997580077.db2.gz RVWZJRQBEXVSAW-UHFFFAOYSA-N -1 0 326.352 3.234 20 30 EGEDRM COC(=O)c1cc(CSc2ccccc2C#N)cc(C(=O)[O-])c1 ZINC001598934468 997836699 /nfs/dbraw/zinc/83/66/99/997836699.db2.gz LUDKHCXQNGUSCC-UHFFFAOYSA-N -1 0 327.361 3.335 20 30 EGEDRM N#Cc1c([N-]S(=O)(=O)c2csc3ccccc23)n[nH]c1C1CC1 ZINC000351303630 144261909 /nfs/dbraw/zinc/26/19/09/144261909.db2.gz NGGNAFIBTSYHKD-UHFFFAOYSA-N -1 0 344.421 3.174 20 30 EGEDRM CC(C)Oc1cc(F)ccc1[N-]S(=O)(=O)c1ccccc1C#N ZINC000351761149 144302764 /nfs/dbraw/zinc/30/27/64/144302764.db2.gz JEAZKKHRCOPIGB-UHFFFAOYSA-N -1 0 334.372 3.285 20 30 EGEDRM N#Cc1cncc(S(=O)(=O)[N-]c2cc(Cl)c(F)c(Cl)c2)c1 ZINC000314157113 154155133 /nfs/dbraw/zinc/15/51/33/154155133.db2.gz JJJDLQHQBWNKBN-UHFFFAOYSA-N -1 0 346.170 3.200 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2ccccc2OC(F)F)ccc1C#N ZINC000336874096 154223932 /nfs/dbraw/zinc/22/39/32/154223932.db2.gz WPXCRHSNMYETHM-UHFFFAOYSA-N -1 0 338.335 3.269 20 30 EGEDRM Cc1nc(-c2ccccc2)sc1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000340978238 163706569 /nfs/dbraw/zinc/70/65/69/163706569.db2.gz WFEXDVYSMKQXMX-UHFFFAOYSA-N -1 0 345.405 3.384 20 30 EGEDRM C[C@@H](Cc1ccc(Cl)cc1)C(=O)N=c1[nH][n-]c(C2CC2)c1C#N ZINC000359718885 167212660 /nfs/dbraw/zinc/21/26/60/167212660.db2.gz ROBVSFDNLCQFBE-JTQLQIEISA-N -1 0 328.803 3.051 20 30 EGEDRM Cc1ccc(-c2[n-][nH]c(=NC(=O)[C@H](C)c3cccc(C#N)c3)c2C)o1 ZINC000360384211 167316735 /nfs/dbraw/zinc/31/67/35/167316735.db2.gz YVAZTCOZTUIZSN-GFCCVEGCSA-N -1 0 334.379 3.322 20 30 EGEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1ccc(OCC(F)F)cc1 ZINC000360862521 167431833 /nfs/dbraw/zinc/43/18/33/167431833.db2.gz VZZITIQJBBWVON-UHFFFAOYSA-N -1 0 338.335 3.003 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)on2)cc1 ZINC000085235263 264937035 /nfs/dbraw/zinc/93/70/35/264937035.db2.gz AZYWPVPKDHQRBQ-UHFFFAOYSA-N -1 0 325.349 3.014 20 30 EGEDRM CC(=Cc1sccc1Br)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000435340158 270051315 /nfs/dbraw/zinc/05/13/15/270051315.db2.gz DBELOXADZYLOKC-FNORWQNLSA-N -1 0 336.214 3.335 20 30 EGEDRM CCC[C@H](C(=O)Nc1nc(C#N)c(C#N)[n-]1)c1cccc(Cl)c1 ZINC000530262384 270060329 /nfs/dbraw/zinc/06/03/29/270060329.db2.gz PIJGOEMGVFQXJV-LBPRGKRZSA-N -1 0 327.775 3.329 20 30 EGEDRM CC(=Cc1ccc(F)cc1Br)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000193609787 266047126 /nfs/dbraw/zinc/04/71/26/266047126.db2.gz CRRVLXKWWWAHAD-YVMONPNESA-N -1 0 348.175 3.412 20 30 EGEDRM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2ccc(C#N)cc2C)n[nH]1 ZINC000177773955 266067146 /nfs/dbraw/zinc/06/71/46/266067146.db2.gz ZJGHXDVYGGILBP-LLVKDONJSA-N -1 0 332.429 3.294 20 30 EGEDRM CCN(CC)c1ncc(/C=C/c2nc(C(=O)[O-])ccc2C#N)s1 ZINC000295893840 266121084 /nfs/dbraw/zinc/12/10/84/266121084.db2.gz KZZMVYSUKZGPJN-SOFGYWHQSA-N -1 0 328.397 3.125 20 30 EGEDRM Cc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c1C#N ZINC000326075926 267481717 /nfs/dbraw/zinc/48/17/17/267481717.db2.gz IUGINHROHCPAEG-UHFFFAOYSA-N -1 0 345.380 3.193 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2ccccc2OCC2CC2)ccc1C#N ZINC000435714624 268019738 /nfs/dbraw/zinc/01/97/38/268019738.db2.gz LEYZIAUETDVIAX-UHFFFAOYSA-N -1 0 342.420 3.456 20 30 EGEDRM Cc1ccccc1-c1cc([N-]S(=O)(=O)c2ccccc2C#N)n[nH]1 ZINC000434974088 268061878 /nfs/dbraw/zinc/06/18/78/268061878.db2.gz QGYRRBKSSQBFBB-UHFFFAOYSA-N -1 0 338.392 3.058 20 30 EGEDRM N#Cc1ccc(CNC(=O)CC2(C(=O)[O-])CCCCCC2)cc1F ZINC000404255325 268066486 /nfs/dbraw/zinc/06/64/86/268066486.db2.gz LRKVTPPIDOUMCL-UHFFFAOYSA-N -1 0 332.375 3.129 20 30 EGEDRM N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2cc(F)cc(Cl)c2[O-])cc1 ZINC000351225957 268087137 /nfs/dbraw/zinc/08/71/37/268087137.db2.gz MAGYWWCDWJNPMI-LBPRGKRZSA-N -1 0 343.745 3.377 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2ccc(Nc3ncccn3)cc2)cc1[O-] ZINC000444624120 268205668 /nfs/dbraw/zinc/20/56/68/268205668.db2.gz WEBZFUBUCSGDRA-UHFFFAOYSA-N -1 0 331.335 3.050 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ncco3)cc2)s1 ZINC000435502813 268260335 /nfs/dbraw/zinc/26/03/35/268260335.db2.gz SWYSMGPHXWOAIV-UHFFFAOYSA-N -1 0 331.378 3.076 20 30 EGEDRM CC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C)c2C#N)cc1C ZINC000134773021 307692873 /nfs/dbraw/zinc/69/28/73/307692873.db2.gz VVQIOMXKMQZJQL-UHFFFAOYSA-N -1 0 328.393 3.179 20 30 EGEDRM COc1ccc([N-]S(=O)(=O)c2cccc(C)c2C#N)cc1Cl ZINC000137197011 307716612 /nfs/dbraw/zinc/71/66/12/307716612.db2.gz BHOZQAFICHMJDW-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM CSCc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2F)cc1 ZINC000158131067 307855423 /nfs/dbraw/zinc/85/54/23/307855423.db2.gz HWZUDSSNKOSSDI-UHFFFAOYSA-N -1 0 336.413 3.361 20 30 EGEDRM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C#N)cc1C ZINC000540571385 314390271 /nfs/dbraw/zinc/39/02/71/314390271.db2.gz KYAQSUAERDIKKZ-UHFFFAOYSA-N -1 0 330.409 3.375 20 30 EGEDRM C[C@@H](CC(C)(C)c1ccccc1)NS(=O)(=O)c1ccc(C#N)o1 ZINC000553799281 315283345 /nfs/dbraw/zinc/28/33/45/315283345.db2.gz NXEHWHOHQMRVOM-ZDUSSCGKSA-N -1 0 332.425 3.186 20 30 EGEDRM CC(C)[C@H]1CCc2ccccc2[C@H]1NS(=O)(=O)c1ccc(C#N)o1 ZINC000553858609 315285289 /nfs/dbraw/zinc/28/52/89/315285289.db2.gz PDXKPLUKHUQKOX-QAPCUYQASA-N -1 0 344.436 3.389 20 30 EGEDRM CCOc1cc(-c2noc(-c3cc(C#N)c[nH]3)n2)cc(Cl)c1[O-] ZINC000350788067 324120132 /nfs/dbraw/zinc/12/01/32/324120132.db2.gz DKSYAIKCXZYKLK-UHFFFAOYSA-N -1 0 330.731 3.361 20 30 EGEDRM Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(F)cc2C#N)cc1F ZINC000180734746 455235754 /nfs/dbraw/zinc/23/57/54/455235754.db2.gz KGCDWJXARXEVRJ-UHFFFAOYSA-N -1 0 326.299 3.085 20 30 EGEDRM CC(C)(CCC(=O)[O-])C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000634855937 460559945 /nfs/dbraw/zinc/55/99/45/460559945.db2.gz AIGIUIGYNJQNCB-UHFFFAOYSA-N -1 0 341.329 3.064 20 30 EGEDRM CC[C@](C)(CC(=O)[O-])C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000634856748 460561308 /nfs/dbraw/zinc/56/13/08/460561308.db2.gz ZLBMSIOKCURQGE-MRXNPFEDSA-N -1 0 341.329 3.064 20 30 EGEDRM Cc1c2cc(Cl)ccc2oc1C(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC000026271848 453795476 /nfs/dbraw/zinc/79/54/76/453795476.db2.gz ZZKWGCQUHXGTMY-UHFFFAOYSA-N -1 0 325.715 3.113 20 30 EGEDRM CNc1ccc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)cc1[N+](=O)[O-] ZINC000041497376 453969527 /nfs/dbraw/zinc/96/95/27/453969527.db2.gz XWPVEFZEWTVATI-NSHDSACASA-N -1 0 335.323 3.003 20 30 EGEDRM Cc1c(C([O-])=C(C#N)c2cc(C)nc(C)n2)cnn1-c1ccc(C)cc1 ZINC000041560640 453972473 /nfs/dbraw/zinc/97/24/73/453972473.db2.gz HRFSALXCHVVSOX-QGZVFWFLSA-N -1 0 345.406 3.386 20 30 EGEDRM CC(C)COc1ccccc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000055652026 454003049 /nfs/dbraw/zinc/00/30/49/454003049.db2.gz YRDFISIZSKUHGP-UHFFFAOYSA-N -1 0 330.409 3.394 20 30 EGEDRM C=CCN(CCc1ccccc1)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000068465874 454028792 /nfs/dbraw/zinc/02/87/92/454028792.db2.gz BRUGXSWQEGOVRI-UHFFFAOYSA-N -1 0 326.352 3.171 20 30 EGEDRM N#Cc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2F)ccc1F ZINC000076839284 454042436 /nfs/dbraw/zinc/04/24/36/454042436.db2.gz XFRXTHLFRUARHA-UHFFFAOYSA-N -1 0 328.727 3.291 20 30 EGEDRM COCCOc1ccc(C(=O)/C=C/c2ccc(C(=O)[O-])cc2)cc1 ZINC000044027719 454086510 /nfs/dbraw/zinc/08/65/10/454086510.db2.gz IROWXPBVJCKFGQ-NYYWCZLTSA-N -1 0 326.348 3.306 20 30 EGEDRM C=C[C@H](CC(=O)NCc1cccc(OCC(=O)[O-])c1)c1ccccc1 ZINC000191001118 455422734 /nfs/dbraw/zinc/42/27/34/455422734.db2.gz AKPPOZPJXFLIMA-MRXNPFEDSA-N -1 0 339.391 3.126 20 30 EGEDRM CC(C)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])cc1 ZINC000130298830 454188303 /nfs/dbraw/zinc/18/83/03/454188303.db2.gz XOEGMXKMLWILCK-UHFFFAOYSA-N -1 0 345.380 3.391 20 30 EGEDRM CCCc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)cc1[N+](=O)[O-] ZINC000130334348 454190776 /nfs/dbraw/zinc/19/07/76/454190776.db2.gz FJMBEPGMTHPXHR-UHFFFAOYSA-N -1 0 345.380 3.220 20 30 EGEDRM Cn1cc(S(=O)(=O)[N-]C(=O)Cc2cccc(F)c2)c2ccccc21 ZINC000095446118 454213912 /nfs/dbraw/zinc/21/39/12/454213912.db2.gz DSJFYAPJZCDOSU-UHFFFAOYSA-N -1 0 346.383 3.205 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2cn(C)nc2-c2cccs2)n1 ZINC000130900662 454224095 /nfs/dbraw/zinc/22/40/95/454224095.db2.gz GROFGCIWVFSCJO-SNVBAGLBSA-N -1 0 328.422 3.404 20 30 EGEDRM CCCc1ccc(NS(=O)(=O)c2cccc(C#N)c2)c(C(=O)[O-])c1 ZINC000071977190 454263863 /nfs/dbraw/zinc/26/38/63/454263863.db2.gz OHAPRZUAUSQDTP-UHFFFAOYSA-N -1 0 344.392 3.010 20 30 EGEDRM CCc1ccc(O)c(C(=O)N2CCCN(c3ccccc3C#N)CC2)c1 ZINC000132648783 454355033 /nfs/dbraw/zinc/35/50/33/454355033.db2.gz VKMZOVATSBHIJL-UHFFFAOYSA-N -1 0 349.434 3.179 20 30 EGEDRM CCCOc1ccccc1NC(=O)c1cc(C#N)c(SC)[n-]c1=O ZINC000079138742 454374033 /nfs/dbraw/zinc/37/40/33/454374033.db2.gz WEDBCOCPETWHNA-UHFFFAOYSA-N -1 0 343.408 3.422 20 30 EGEDRM COCCOc1ccc(C(=O)/C=C\c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000098008732 454449472 /nfs/dbraw/zinc/44/94/72/454449472.db2.gz ZMEAJHWGXKNOPO-WAPJZHGLSA-N -1 0 343.335 3.222 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)C2(c3ccccc3)CCC2)cc1 ZINC000048503052 454494232 /nfs/dbraw/zinc/49/42/32/454494232.db2.gz MGJCEOYXTJIRCI-UHFFFAOYSA-N -1 0 340.404 3.325 20 30 EGEDRM N#CCC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000182147568 455446673 /nfs/dbraw/zinc/44/66/73/455446673.db2.gz UEFHNDHHJUKMFV-HNNXBMFYSA-N -1 0 325.324 3.075 20 30 EGEDRM CCc1c(C([O-])=C(C#N)c2nc(C)cs2)cnn1-c1ccccn1 ZINC000122300882 454521196 /nfs/dbraw/zinc/52/11/96/454521196.db2.gz LDRKHMPSMXYIQX-LBPRGKRZSA-N -1 0 337.408 3.085 20 30 EGEDRM CC(C)(C)c1[n-]n(Cc2ccc(F)cc2C#N)c(=O)c1CCC#N ZINC000153514566 454801928 /nfs/dbraw/zinc/80/19/28/454801928.db2.gz KZDASHFOMDSWHB-UHFFFAOYSA-N -1 0 326.375 3.401 20 30 EGEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000126895292 454924855 /nfs/dbraw/zinc/92/48/55/454924855.db2.gz YKNIDYXNSUNZCI-UHFFFAOYSA-N -1 0 342.351 3.137 20 30 EGEDRM N#Cc1cccc(S(=O)(=O)[N-]c2cnoc2-c2ccccc2)c1 ZINC000179525734 455055333 /nfs/dbraw/zinc/05/53/33/455055333.db2.gz NICNCHNGWOAZRN-UHFFFAOYSA-N -1 0 325.349 3.014 20 30 EGEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]c2cccc3[nH]ccc32)c(F)c1 ZINC000129725085 455122821 /nfs/dbraw/zinc/12/28/21/455122821.db2.gz MSKUFOUQHHWKDH-UHFFFAOYSA-N -1 0 333.319 3.119 20 30 EGEDRM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)cn1 ZINC000184467270 455385735 /nfs/dbraw/zinc/38/57/35/455385735.db2.gz FDXYQGFSINJKQE-UHFFFAOYSA-N -1 0 345.424 3.082 20 30 EGEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc2ccn(C)c21 ZINC000190849818 455390824 /nfs/dbraw/zinc/39/08/24/455390824.db2.gz QYTVDGLAFIHTCU-UHFFFAOYSA-N -1 0 325.393 3.159 20 30 EGEDRM C=C[C@H](CC(=O)NCc1ccc(C(=O)[O-])c(OC)c1)c1ccccc1 ZINC000191053353 455432659 /nfs/dbraw/zinc/43/26/59/455432659.db2.gz YTFVCGBNOOTUEB-OAHLLOKOSA-N -1 0 339.391 3.370 20 30 EGEDRM CCc1cccc(CC)c1S(=O)(=O)[N-]c1n[nH]c(C2CC2)c1C#N ZINC000616949875 460683597 /nfs/dbraw/zinc/68/35/97/460683597.db2.gz LGLLQTBCWVRSFD-UHFFFAOYSA-N -1 0 344.440 3.084 20 30 EGEDRM COc1ccccc1S(=O)(=O)[N-]c1ccc(C(C)(C)C#N)cc1 ZINC000192760846 455687977 /nfs/dbraw/zinc/68/79/77/455687977.db2.gz JADITFKKNOFITP-UHFFFAOYSA-N -1 0 330.409 3.297 20 30 EGEDRM C=C(C)C[C@@H](C)C(=O)N(CCC(=O)[O-])Cc1cccc(F)c1F ZINC000192868640 455708085 /nfs/dbraw/zinc/70/80/85/455708085.db2.gz UJFUKWHPEBGAHK-GFCCVEGCSA-N -1 0 325.355 3.370 20 30 EGEDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccccc2CC#N)c1C ZINC000193362318 455753680 /nfs/dbraw/zinc/75/36/80/455753680.db2.gz ZEYPCBZDJZGNHR-UHFFFAOYSA-N -1 0 345.380 3.079 20 30 EGEDRM CC1(C)Cc2cccc(S(=O)(=O)[N-]c3ccccc3CC#N)c2O1 ZINC000193361704 455754252 /nfs/dbraw/zinc/75/42/52/455754252.db2.gz JUCJBWJXBJWJNV-UHFFFAOYSA-N -1 0 342.420 3.267 20 30 EGEDRM Cc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c1C#N ZINC000186639693 455810548 /nfs/dbraw/zinc/81/05/48/455810548.db2.gz YRCMVZBFEFSAHE-UHFFFAOYSA-N -1 0 331.784 3.193 20 30 EGEDRM N#C[C@@]1(NC(=O)c2ccc3[n-]c(=S)oc3c2)CCc2ccccc2C1 ZINC000186894903 455848034 /nfs/dbraw/zinc/84/80/34/455848034.db2.gz GVVZQCBLMVQRGJ-LJQANCHMSA-N -1 0 349.415 3.298 20 30 EGEDRM C=C[C@@](C)(O)CC(=O)Nc1cc(Cl)cc(Br)c1[O-] ZINC000278816871 455849068 /nfs/dbraw/zinc/84/90/68/455849068.db2.gz ILZKXPOTFOHVFC-GFCCVEGCSA-N -1 0 334.597 3.074 20 30 EGEDRM C=CCCCCCCNC(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1 ZINC000287000263 456058585 /nfs/dbraw/zinc/05/85/85/456058585.db2.gz KJGFFBIMJSBDPZ-UHFFFAOYSA-N -1 0 327.428 3.340 20 30 EGEDRM C=C(C)[C@@H](NC(=O)N1CCC[C@H](C(=O)[O-])C1)c1ccc(F)c(F)c1 ZINC000263376018 456136656 /nfs/dbraw/zinc/13/66/56/456136656.db2.gz OETAEBVBNYIEDS-SWLSCSKDSA-N -1 0 338.354 3.088 20 30 EGEDRM C=CCSc1ccccc1NC(=O)CN(CC(=O)[O-])[C@@H](C)CC ZINC000236961854 456210361 /nfs/dbraw/zinc/21/03/61/456210361.db2.gz NPPXRLMATMEMIP-ZDUSSCGKSA-N -1 0 336.457 3.088 20 30 EGEDRM N#Cc1cc(Cl)ccc1N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000290682564 456403283 /nfs/dbraw/zinc/40/32/83/456403283.db2.gz LNSGAPGVEYGPTI-JTQLQIEISA-N -1 0 345.752 3.107 20 30 EGEDRM CCCOc1ccccc1[N-]S(=O)(=O)c1cc(C#N)ccc1C ZINC000303535141 456466535 /nfs/dbraw/zinc/46/65/35/456466535.db2.gz GPTGIBTZVKKQSZ-UHFFFAOYSA-N -1 0 330.409 3.456 20 30 EGEDRM Cc1cc(F)cc(S(=O)(=O)[N-]c2c(C#N)cnn2C2CCCC2)c1 ZINC000337779624 456541809 /nfs/dbraw/zinc/54/18/09/456541809.db2.gz SBYNMSQSZZFCDH-UHFFFAOYSA-N -1 0 348.403 3.118 20 30 EGEDRM O=C1CC[C@@H](/N=C/c2cc(Cl)cc(Cl)c2[O-])C2(CCC2)N1 ZINC000282687280 456592025 /nfs/dbraw/zinc/59/20/25/456592025.db2.gz QWZGGUDEHIIGPB-VGTRTNLYSA-N -1 0 327.211 3.319 20 30 EGEDRM CNS(=O)(=O)c1cc(NC(=O)CC2=CCCCC2)ccc1F ZINC000328592303 456716211 /nfs/dbraw/zinc/71/62/11/456716211.db2.gz XOIAELPGQKGZRM-UHFFFAOYSA-N -1 0 326.393 3.212 20 30 EGEDRM C[C@@H](C(=O)Nc1cccc([C@]2(C)NC(=O)NC2=O)c1)C1CCOCC1 ZINC000328770544 456757252 /nfs/dbraw/zinc/75/72/52/456757252.db2.gz JAUUJNJQXSLVOQ-ZMZPIMSZSA-N -1 0 345.399 3.437 20 30 EGEDRM C=CCCCS(=O)(=O)[N-]c1nnc(Cc2ccc(C)cc2)s1 ZINC000291836915 456772492 /nfs/dbraw/zinc/77/24/92/456772492.db2.gz GWFSVFJDADINOJ-UHFFFAOYSA-N -1 0 337.470 3.145 20 30 EGEDRM Cc1cc(Br)cc([N-]S(=O)(=O)c2ccc(C#N)o2)c1 ZINC000340963538 456786950 /nfs/dbraw/zinc/78/69/50/456786950.db2.gz GKMSYBOVKGTRKJ-UHFFFAOYSA-N -1 0 341.186 3.023 20 30 EGEDRM CC1(C)C[C@@H](NC(=O)N=c2nc(-c3ccccc3)[n-]s2)C(C)(C)O1 ZINC000329235949 456858872 /nfs/dbraw/zinc/85/88/72/456858872.db2.gz JAQVFPHKQROWQA-GFCCVEGCSA-N -1 0 346.456 3.299 20 30 EGEDRM CC[C@@H](NC(=O)c1cc(C#N)c(SC)[n-]c1=O)c1ccccc1 ZINC000353795291 456909470 /nfs/dbraw/zinc/90/94/70/456909470.db2.gz CPJVXBRRNFSCHH-CQSZACIVSA-N -1 0 327.409 3.262 20 30 EGEDRM CC(C)OCC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000345910641 457005299 /nfs/dbraw/zinc/00/52/99/457005299.db2.gz VBPOYMAGYMGZOY-UHFFFAOYSA-N -1 0 337.375 3.148 20 30 EGEDRM N#Cc1c([N-]S(=O)(=O)c2ccc3ccccc3c2)n[nH]c1C1CC1 ZINC000362652645 457027579 /nfs/dbraw/zinc/02/75/79/457027579.db2.gz AIVFKHQUACEPKF-UHFFFAOYSA-N -1 0 338.392 3.113 20 30 EGEDRM O=S(=O)([N-]c1cccc(C#Cc2ccccn2)c1)c1ccsc1 ZINC000350124906 457165987 /nfs/dbraw/zinc/16/59/87/457165987.db2.gz SHNGPKYPCSBJJG-UHFFFAOYSA-N -1 0 340.429 3.344 20 30 EGEDRM Cc1nc(C)c(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)nc1C ZINC000342332588 457242200 /nfs/dbraw/zinc/24/22/00/457242200.db2.gz JRJYDOYEWJNCMO-CQSZACIVSA-N -1 0 349.419 3.410 20 30 EGEDRM CC(C)c1cc([N-]S(=O)(=O)c2cccc(Cl)c2C#N)no1 ZINC000356955726 457242529 /nfs/dbraw/zinc/24/25/29/457242529.db2.gz VIYWAPNKFBKPBL-UHFFFAOYSA-N -1 0 325.777 3.124 20 30 EGEDRM CCCc1c(C([O-])=C(C#N)c2ccncn2)cnn1Cc1ccccc1 ZINC000354472534 457245946 /nfs/dbraw/zinc/24/59/46/457245946.db2.gz PCBAJVLYIQNUBL-MRXNPFEDSA-N -1 0 345.406 3.164 20 30 EGEDRM N#CC(=C([O-])c1cc2n(n1)CCO2)c1nc2cc(Cl)ccc2s1 ZINC000355108096 457343320 /nfs/dbraw/zinc/34/33/20/457343320.db2.gz ZSUGZZIWYWZQMO-SECBINFHSA-N -1 0 344.783 3.029 20 30 EGEDRM CC(C)CCOc1ccc([N-]S(=O)(=O)c2cncc(C#N)c2)cc1 ZINC000357147669 457346336 /nfs/dbraw/zinc/34/63/36/457346336.db2.gz JVIGJQRFAMIYMV-UHFFFAOYSA-N -1 0 345.424 3.179 20 30 EGEDRM CSc1c(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)cnn1C ZINC000361195568 457641918 /nfs/dbraw/zinc/64/19/18/457641918.db2.gz KGXZWTYCQNIGBI-SECBINFHSA-N -1 0 340.330 3.046 20 30 EGEDRM COC(=O)c1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)c(F)c1 ZINC000357986255 457734713 /nfs/dbraw/zinc/73/47/13/457734713.db2.gz HSGSOMUCLCHBOM-LBPRGKRZSA-N -1 0 338.294 3.244 20 30 EGEDRM N#CC(=C([O-])c1ccc(OC(F)F)cn1)c1nc2ccccc2o1 ZINC000357996867 457735226 /nfs/dbraw/zinc/73/52/26/457735226.db2.gz WTIQQDAQYVTLDM-JTQLQIEISA-N -1 0 329.262 3.314 20 30 EGEDRM C=CCOc1cccc(C=Cc2nc(C)c(CCC(=O)[O-])c(=O)[nH]2)c1 ZINC000443441809 457765670 /nfs/dbraw/zinc/76/56/70/457765670.db2.gz KULNSXFCHRPVHS-CLFYSBASSA-N -1 0 340.379 3.243 20 30 EGEDRM Cc1nc2ccc(C(=O)[C@@H](C#N)c3nc4ccccc4[nH]3)cc2n1C ZINC000361654862 457812759 /nfs/dbraw/zinc/81/27/59/457812759.db2.gz MOTOYIDEDZILNP-CYBMUJFWSA-N -1 0 329.363 3.248 20 30 EGEDRM C=CCc1cc(CN[C@@H](C(=O)[O-])c2ccsc2)cc(OC)c1O ZINC000426782959 457900679 /nfs/dbraw/zinc/90/06/79/457900679.db2.gz IRCCSEWUSRTDGO-OAHLLOKOSA-N -1 0 333.409 3.106 20 30 EGEDRM COCc1ncsc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000362120247 458030879 /nfs/dbraw/zinc/03/08/79/458030879.db2.gz VRQPAJXXVPVCLK-SECBINFHSA-N -1 0 341.314 3.193 20 30 EGEDRM COc1cc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)cc(Cl)c1OC ZINC000435341294 458117170 /nfs/dbraw/zinc/11/71/70/458117170.db2.gz VRWJDMBTRSTRHO-UITAMQMPSA-N -1 0 345.786 3.181 20 30 EGEDRM Cc1cc2cccnc2c([N-]S(=O)(=O)c2ccc(C#N)s2)c1 ZINC000435499559 458155191 /nfs/dbraw/zinc/15/51/91/458155191.db2.gz BPVOTKFPGMMFMX-UHFFFAOYSA-N -1 0 329.406 3.277 20 30 EGEDRM C=CCN=c1[n-]nc(SCc2ccc(C(=O)OC(C)C)cc2)s1 ZINC000446984329 458254079 /nfs/dbraw/zinc/25/40/79/458254079.db2.gz GLIXOHDEHLGMNM-UHFFFAOYSA-N -1 0 349.481 3.415 20 30 EGEDRM Cc1ccccc1-c1cc([N-]S(=O)(=O)c2ccc(C#N)cc2)n[nH]1 ZINC000362588978 458286515 /nfs/dbraw/zinc/28/65/15/458286515.db2.gz GVZCPMSUGJZFFQ-UHFFFAOYSA-N -1 0 338.392 3.058 20 30 EGEDRM N#C[C@@H]1COCCN1C(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000436588554 458339057 /nfs/dbraw/zinc/33/90/57/458339057.db2.gz HWRIARMUGUQFGS-CQSZACIVSA-N -1 0 342.782 3.077 20 30 EGEDRM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3nccc4ccccc43)nc1-2 ZINC000429568834 458347951 /nfs/dbraw/zinc/34/79/51/458347951.db2.gz KBYWRHVHPWMEDO-AWEZNQCLSA-N -1 0 327.347 3.305 20 30 EGEDRM CCCc1c([N-]S(=O)(=O)[C@H](C#N)CC)cnn1-c1cccc(C)c1 ZINC000416964057 458358085 /nfs/dbraw/zinc/35/80/85/458358085.db2.gz SAOZPXNYYXGZEY-HNNXBMFYSA-N -1 0 346.456 3.177 20 30 EGEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1cnn(-c2ccc(C)cc2)c1C(C)C ZINC000416959928 458358689 /nfs/dbraw/zinc/35/86/89/458358689.db2.gz NOWAECKMOCPFRS-OAHLLOKOSA-N -1 0 346.456 3.348 20 30 EGEDRM CC(C)(C)Oc1ccc(NC(=O)N2CCC(C(=O)[O-])CC2)cc1C#N ZINC000417797521 458367271 /nfs/dbraw/zinc/36/72/71/458367271.db2.gz UJPGZNOTZBRDEA-UHFFFAOYSA-N -1 0 345.399 3.064 20 30 EGEDRM N#CC1(CNC(=O)c2cc(Cl)cc(Br)c2[O-])CCC1 ZINC000420214495 458397071 /nfs/dbraw/zinc/39/70/71/458397071.db2.gz IZADOQBEEJHXLY-UHFFFAOYSA-N -1 0 343.608 3.232 20 30 EGEDRM C[C@H]1C[C@H](C(=O)[O-])CN(c2nc3c(cc2C#N)CCCC3(C)C)C1 ZINC000422556645 458428639 /nfs/dbraw/zinc/42/86/39/458428639.db2.gz GHPLDKXYRXSQTR-WFASDCNBSA-N -1 0 327.428 3.114 20 30 EGEDRM Cc1nc([N-]S(=O)(=O)c2cc(C(C)C)ccc2Cl)ccc1C#N ZINC000451084677 458465256 /nfs/dbraw/zinc/46/52/56/458465256.db2.gz ASFYSYSBPOTEKI-UHFFFAOYSA-N -1 0 349.843 3.261 20 30 EGEDRM C=CCn1c(SCc2ccc(C)c(Br)c2)n[n-]c1=N ZINC000437631228 458476602 /nfs/dbraw/zinc/47/66/02/458476602.db2.gz ZEOYOKZAMHDYAX-UHFFFAOYSA-N -1 0 339.262 3.240 20 30 EGEDRM Cc1[n-][nH]c(=NC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)c1C#N ZINC000431677180 458605091 /nfs/dbraw/zinc/60/50/91/458605091.db2.gz CESRKABPHWXETQ-NXEZZACHSA-N -1 0 335.194 3.061 20 30 EGEDRM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3csc(CC(C)C)n3)nc1-2 ZINC000530946826 458848811 /nfs/dbraw/zinc/84/88/11/458848811.db2.gz QMPFUWBVEZUTJS-LLVKDONJSA-N -1 0 339.424 3.411 20 30 EGEDRM N#CC(=C([O-])c1coc(C2CCOCC2)n1)c1nc2ccccc2o1 ZINC000555075367 458903359 /nfs/dbraw/zinc/90/33/59/458903359.db2.gz YEJFWEVVSMBLQV-GFCCVEGCSA-N -1 0 337.335 3.200 20 30 EGEDRM C[C@H](NC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1cccc(C#N)c1 ZINC000594529924 459080363 /nfs/dbraw/zinc/08/03/63/459080363.db2.gz VCKVJKIVKRBZKX-GVAFMPQTSA-N -1 0 343.427 3.054 20 30 EGEDRM CC(N=Nc1ccc(C(=O)[O-])cc1F)[C@@H](C)NC(=O)OC(C)(C)C ZINC000496395862 459178929 /nfs/dbraw/zinc/17/89/29/459178929.db2.gz BEZPNDOKUDUYCK-SECBINFHSA-N -1 0 339.367 3.225 20 30 EGEDRM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cc2c(cn1)CCCC2 ZINC000558634802 459184872 /nfs/dbraw/zinc/18/48/72/459184872.db2.gz OMWMRKLKMZKJCO-UHFFFAOYSA-N -1 0 347.827 3.286 20 30 EGEDRM O=C(c1cccc(C(F)(F)F)c1[O-])N1CC(F)(F)C(F)(F)C1 ZINC000578907461 459240262 /nfs/dbraw/zinc/24/02/62/459240262.db2.gz XTQUPQYEZKLPRB-UHFFFAOYSA-N -1 0 331.187 3.137 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)ns1 ZINC000582340473 459347717 /nfs/dbraw/zinc/34/77/17/459347717.db2.gz NFNAMOGMQSQGQP-LLVKDONJSA-N -1 0 326.406 3.460 20 30 EGEDRM CCOc1ccccc1N=c1[n-]nc(SCC2(C#N)CC2)s1 ZINC000538659192 459371982 /nfs/dbraw/zinc/37/19/82/459371982.db2.gz DVXYFOQNFJYGFC-UHFFFAOYSA-N -1 0 332.454 3.498 20 30 EGEDRM N#CCCN(Cc1ccco1)C(=O)c1cccc(Br)c1[O-] ZINC000539839887 459378583 /nfs/dbraw/zinc/37/85/83/459378583.db2.gz BIMWAKRPQGLXDB-UHFFFAOYSA-N -1 0 349.184 3.304 20 30 EGEDRM N#CC(=C([O-])c1ccnc(N2CCCCC2)n1)c1nc2ccccc2o1 ZINC000524810107 459396916 /nfs/dbraw/zinc/39/69/16/459396916.db2.gz NUCNDMMMJUHNKD-ZDUSSCGKSA-N -1 0 347.378 3.098 20 30 EGEDRM CC(=O)N(c1ccc(NC(=O)c2ccc(C#N)c([O-])c2)cc1)[C@@H]1C[C@H]1C ZINC000561648837 459471666 /nfs/dbraw/zinc/47/16/66/459471666.db2.gz LSFAKLHZSCOQQR-KZULUSFZSA-N -1 0 349.390 3.277 20 30 EGEDRM CCc1cccc(CC)c1N=c1[n-]nc(SC[C@H](O)CC#N)s1 ZINC000487176083 459526780 /nfs/dbraw/zinc/52/67/80/459526780.db2.gz LDBAZVMWTRQRIE-CYBMUJFWSA-N -1 0 348.497 3.195 20 30 EGEDRM Cc1ccc(Br)cc1-c1n[n-]c(=NC[C@@H](C)C#N)s1 ZINC000526046970 459538370 /nfs/dbraw/zinc/53/83/70/459538370.db2.gz ADMSOLRIUGIKMG-QMMMGPOBSA-N -1 0 337.246 3.270 20 30 EGEDRM CC(C)(C)CN(CCC#N)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000592758562 459685294 /nfs/dbraw/zinc/68/52/94/459685294.db2.gz IQCLDGYFQSEDLV-UHFFFAOYSA-N -1 0 339.779 3.356 20 30 EGEDRM CNc1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)cc1[N+](=O)[O-] ZINC000573895494 459752470 /nfs/dbraw/zinc/75/24/70/459752470.db2.gz LBLHNWDRWAZESB-GFCCVEGCSA-N -1 0 347.334 3.070 20 30 EGEDRM C=CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000546265638 459907468 /nfs/dbraw/zinc/90/74/68/459907468.db2.gz LYRXTHSADGSMPG-UHFFFAOYSA-N -1 0 345.420 3.070 20 30 EGEDRM CCCCCc1ccc([N-]S(=O)(=O)c2cncc(C#N)c2)cc1 ZINC000576320588 460116130 /nfs/dbraw/zinc/11/61/30/460116130.db2.gz CVVSQHBOZZUQSR-UHFFFAOYSA-N -1 0 329.425 3.487 20 30 EGEDRM CC(C)CN(Cc1cccc(Cl)c1)C(=O)N=c1[n-]n(C)cc1C#N ZINC000602889090 460171418 /nfs/dbraw/zinc/17/14/18/460171418.db2.gz WKZQUTYCUGSTQQ-UHFFFAOYSA-N -1 0 345.834 3.057 20 30 EGEDRM CCc1ccc([C@@H]2CCCCCN2C(=O)N=c2[n-]n(C)cc2C#N)o1 ZINC000610562935 460183811 /nfs/dbraw/zinc/18/38/11/460183811.db2.gz LKFXUPUOLYJAEJ-HNNXBMFYSA-N -1 0 341.415 3.018 20 30 EGEDRM CC(C)C[C@H](NC(=O)N=c1[n-]n(C)cc1C#N)c1ccc(Cl)cc1 ZINC000610561017 460184260 /nfs/dbraw/zinc/18/42/60/460184260.db2.gz CMGUJBOWDIVSPW-HNNXBMFYSA-N -1 0 345.834 3.276 20 30 EGEDRM Cn1cc(C#N)c(=NC(=O)N[C@H](c2ccc(Cl)cc2)C2CCC2)[n-]1 ZINC000610564802 460184365 /nfs/dbraw/zinc/18/43/65/460184365.db2.gz WHIIYJVFNCGWSE-HNNXBMFYSA-N -1 0 343.818 3.030 20 30 EGEDRM CC(C)c1ccc([C@H](NC(=O)N=c2[n-]n(C)cc2C#N)C(C)C)cc1 ZINC000610564829 460185034 /nfs/dbraw/zinc/18/50/34/460185034.db2.gz XAIUVEFEQBWQNT-QGZVFWFLSA-N -1 0 339.443 3.356 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nc(C3CCCCC3)cs2)o1 ZINC000601960232 460963076 /nfs/dbraw/zinc/96/30/76/460963076.db2.gz QGNZWHMEYDJQHU-UHFFFAOYSA-N -1 0 337.426 3.456 20 30 EGEDRM Cc1nocc1S(=O)(=O)[N-]c1ccccc1SC[C@@H](C)C#N ZINC000601974979 460967398 /nfs/dbraw/zinc/96/73/98/460967398.db2.gz FONKYTNGYGIGDZ-JTQLQIEISA-N -1 0 337.426 3.036 20 30 EGEDRM CSc1cc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)c(C)o1 ZINC000659108326 461167022 /nfs/dbraw/zinc/16/70/22/461167022.db2.gz KQLDQGZSSWINLX-NSHDSACASA-N -1 0 326.381 3.380 20 30 EGEDRM C=C(C)C[C@H](C)C(=O)N[C@H](C(=O)[O-])c1ccccc1Br ZINC000659191104 461212696 /nfs/dbraw/zinc/21/26/96/461212696.db2.gz PLKJDAMWQXJKGF-GWCFXTLKSA-N -1 0 340.217 3.293 20 30 EGEDRM CN(C)c1cc(C#N)cc(C([O-])=C(C#N)c2nc(C3CC3)cs2)c1 ZINC000647380153 461670483 /nfs/dbraw/zinc/67/04/83/461670483.db2.gz PCXYPAUQHNRZQK-HNNXBMFYSA-N -1 0 336.420 3.448 20 30 EGEDRM C=C(C)CN(Cc1ccc(CO)o1)c1ncc(C(=O)[O-])cc1Cl ZINC000647454869 461711260 /nfs/dbraw/zinc/71/12/60/461711260.db2.gz CUCLRTUIFZMPNO-UHFFFAOYSA-N -1 0 336.775 3.101 20 30 EGEDRM C[S@](=O)c1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cc1 ZINC000592399080 548104102 /nfs/dbraw/zinc/10/41/02/548104102.db2.gz LRSASNOCHNXDAD-DMZKTXOQSA-N -1 0 330.434 3.248 20 30 EGEDRM CCc1nn(C)cc1C([O-])=C(C#N)c1nc2cc(F)ccc2s1 ZINC000678408338 549485466 /nfs/dbraw/zinc/48/54/66/549485466.db2.gz HXDHFIRXSLUNCM-JTQLQIEISA-N -1 0 328.372 3.221 20 30 EGEDRM C=C(C)[C@H](NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-])c1ccc(F)c(F)c1 ZINC000681349719 549985215 /nfs/dbraw/zinc/98/52/15/549985215.db2.gz VFYRDUZGXNQYES-ZENOOKHLSA-N -1 0 335.350 3.365 20 30 EGEDRM C=C[C@H](CC(=O)N[C@@H](C(=O)[O-])c1ccccc1F)c1ccccc1 ZINC000683319658 550217505 /nfs/dbraw/zinc/21/75/05/550217505.db2.gz RHKFABQOIWMMCV-FZKQIMNGSA-N -1 0 327.355 3.428 20 30 EGEDRM COc1ccc([C@H](CC(=O)[O-])/N=C\c2cccc(OC)c2O)cc1 ZINC000737951669 574521035 /nfs/dbraw/zinc/52/10/35/574521035.db2.gz WXUGRJQUWVDMDU-VUQQOUJSSA-N -1 0 329.352 3.044 20 30 EGEDRM C[C@H](Oc1cccc(C(=O)/C=C2/COc3ccc(F)cc32)c1)C(=O)[O-] ZINC000729148499 574818730 /nfs/dbraw/zinc/81/87/30/574818730.db2.gz AQWGSUNPECEWKY-LFTLCWSBSA-N -1 0 342.322 3.336 20 30 EGEDRM COc1cc(/C=C2/Cc3c(cccc3C)C2=O)cc([N+](=O)[O-])c1[O-] ZINC000729149918 574818937 /nfs/dbraw/zinc/81/89/37/574818937.db2.gz GUKSRDHMOVLEDY-SDQBBNPISA-N -1 0 325.320 3.440 20 30 EGEDRM O=C1CCCN1c1ccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000730546180 574999765 /nfs/dbraw/zinc/99/97/65/574999765.db2.gz BWYLDLMLHIDKCQ-UHFFFAOYSA-N -1 0 325.324 3.178 20 30 EGEDRM O=C([O-])C(F)(F)Oc1ccc(/C=C2/Cc3c(cccc3O)C2=O)cc1 ZINC000730729915 575013293 /nfs/dbraw/zinc/01/32/93/575013293.db2.gz QRWQTOYVEYSPOP-FLIBITNWSA-N -1 0 346.285 3.271 20 30 EGEDRM Cc1c(C(=O)/C=C/c2ccc([N+](=O)[O-])c([O-])c2)c(C#N)c2n1CCC2 ZINC000731939094 575222941 /nfs/dbraw/zinc/22/29/41/575222941.db2.gz USUMQDCVSCPNMK-FNORWQNLSA-N -1 0 337.335 3.124 20 30 EGEDRM COc1ccc(C(=O)/C=C\c2cccc(OCC(=O)[O-])c2)c(OC)c1 ZINC000733204915 575319789 /nfs/dbraw/zinc/31/97/89/575319789.db2.gz DNKQITZGVYHLPX-TWGQIWQCSA-N -1 0 342.347 3.063 20 30 EGEDRM COc1ccc(C=NNc2ccc(C(=O)[O-])cc2)c(OC(F)F)c1 ZINC000734092535 575438999 /nfs/dbraw/zinc/43/89/99/575438999.db2.gz RPWFFCFMWLNWIG-UHFFFAOYSA-N -1 0 336.294 3.441 20 30 EGEDRM C=CCN(Cc1cccs1)C(=O)[C@H](C)SC[C@@H](C)C(=O)[O-] ZINC000736108459 575897000 /nfs/dbraw/zinc/89/70/00/575897000.db2.gz HHHJVNUVADSNDL-NEPJUHHUSA-N -1 0 327.471 3.105 20 30 EGEDRM C#CCn1c(-c2cc(C(=O)[O-])co2)csc1=Nc1ccccc1C#N ZINC000736087222 575897702 /nfs/dbraw/zinc/89/77/02/575897702.db2.gz FEMSJLXTKDPFSL-UHFFFAOYSA-N -1 0 349.371 3.245 20 30 EGEDRM C#CCOc1ccc(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000736090108 575898263 /nfs/dbraw/zinc/89/82/63/575898263.db2.gz VTDDWVIACXRWMH-UHFFFAOYSA-N -1 0 329.739 3.303 20 30 EGEDRM C[C@H](C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccccc1F ZINC000736225870 575916958 /nfs/dbraw/zinc/91/69/58/575916958.db2.gz AHEYJBLHLYXMRG-ZBEGNZNMSA-N -1 0 327.311 3.170 20 30 EGEDRM CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2cccc(C(=O)[O-])n2)cc1 ZINC000736298023 575929069 /nfs/dbraw/zinc/92/90/69/575929069.db2.gz ZNYYXUIACBIGBC-MRXNPFEDSA-N -1 0 337.379 3.072 20 30 EGEDRM CC(C)[C@@H](NC(=O)[O-])C(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC000736374468 575946735 /nfs/dbraw/zinc/94/67/35/575946735.db2.gz HAUJKTMZQNRXDU-MRXNPFEDSA-N -1 0 342.420 3.379 20 30 EGEDRM C[C@H](COc1cccc(C#N)c1)OC(=O)c1ccc(NC(=O)[O-])cc1 ZINC000736616032 575989581 /nfs/dbraw/zinc/98/95/81/575989581.db2.gz PCRCLEOOMDNVAJ-GFCCVEGCSA-N -1 0 340.335 3.272 20 30 EGEDRM C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000736700926 576009466 /nfs/dbraw/zinc/00/94/66/576009466.db2.gz PIVZIKYXBDOWCD-JTQLQIEISA-N -1 0 343.314 3.193 20 30 EGEDRM CCC(CC)CN(CCC#N)Cn1nc(C(=O)[O-])c(Cl)c1C ZINC000736894607 576056385 /nfs/dbraw/zinc/05/63/85/576056385.db2.gz HNILYTWPZYGTSV-UHFFFAOYSA-N -1 0 326.828 3.153 20 30 EGEDRM CCC(CC)CN(CCC#N)Cn1ncc2cc(C(=O)[O-])ccc21 ZINC000736896088 576057498 /nfs/dbraw/zinc/05/74/98/576057498.db2.gz WGMFMJHREQCOAB-UHFFFAOYSA-N -1 0 328.416 3.344 20 30 EGEDRM CCN(C(=O)[C@H](C)Oc1ccccc1C#N)c1ccccc1C(=O)[O-] ZINC000737050794 576090795 /nfs/dbraw/zinc/09/07/95/576090795.db2.gz NPHYLVNHUOGEFG-ZDUSSCGKSA-N -1 0 338.363 3.077 20 30 EGEDRM CCOc1ccc(/C=N\[C@@H](CC(=O)[O-])c2ccc(OC)cc2)c(O)c1 ZINC000737200411 576135335 /nfs/dbraw/zinc/13/53/35/576135335.db2.gz RZFMKIYOMKENAF-BRLDDBHUSA-N -1 0 343.379 3.434 20 30 EGEDRM Cc1nc(NC(=O)c2cccc(NC(=O)[O-])c2)sc1SCC#N ZINC000738865789 576140490 /nfs/dbraw/zinc/14/04/90/576140490.db2.gz DMUCAOMHABREOK-UHFFFAOYSA-N -1 0 348.409 3.409 20 30 EGEDRM CN(CCCC(=O)Nc1nc(-c2ccc(C#N)cc2)cs1)C(=O)[O-] ZINC000737430782 576228112 /nfs/dbraw/zinc/22/81/12/576228112.db2.gz IGROLSYDNYOPIE-UHFFFAOYSA-N -1 0 344.396 3.010 20 30 EGEDRM COC(=O)Nc1cc(N[C@H](C(=O)[O-])c2ccc(C#N)cc2)ccc1F ZINC000737642221 576259059 /nfs/dbraw/zinc/25/90/59/576259059.db2.gz NKNUMQZIMIQYSF-HNNXBMFYSA-N -1 0 343.314 3.113 20 30 EGEDRM CCOc1ccc(C#N)cc1NC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000737886915 576270031 /nfs/dbraw/zinc/27/00/31/576270031.db2.gz HIGHFNVKPBWIIU-UHFFFAOYSA-N -1 0 339.351 3.228 20 30 EGEDRM N#CCn1c(C(=O)N[C@H](CC(=O)[O-])c2ccccc2)cc2ccccc21 ZINC000738424932 576323922 /nfs/dbraw/zinc/32/39/22/576323922.db2.gz HNHDIJSPMFFFRO-MRXNPFEDSA-N -1 0 347.374 3.111 20 30 EGEDRM Cc1cc(NC(=O)CCCCOc2cccc(C#N)c2)c(C(=O)[O-])[nH]1 ZINC000738424797 576324020 /nfs/dbraw/zinc/32/40/20/576324020.db2.gz KYIJVIDRWWYKIB-UHFFFAOYSA-N -1 0 341.367 3.081 20 30 EGEDRM Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCNC(=O)[O-] ZINC000738475129 576329485 /nfs/dbraw/zinc/32/94/85/576329485.db2.gz YERXHMIDDCBAAD-UHFFFAOYSA-N -1 0 339.351 3.255 20 30 EGEDRM Cc1ccc(-c2csc(C(C#N)C(=O)[C@@H]3C[C@H]3C(=O)[O-])n2)cc1 ZINC000738487664 576331123 /nfs/dbraw/zinc/33/11/23/576331123.db2.gz DHNAGGUNOVNCRI-JHJVBQTASA-N -1 0 326.377 3.016 20 30 EGEDRM Cc1cccc(O[C@@H](C)C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000738735205 576357061 /nfs/dbraw/zinc/35/70/61/576357061.db2.gz RSWALGDDVXJSLU-SUMWQHHRSA-N -1 0 339.347 3.003 20 30 EGEDRM Cn1c2ccccc2[nH]c1=NN=Cc1c[nH]c2ccc(C(=O)[O-])cc12 ZINC000739014601 576374115 /nfs/dbraw/zinc/37/41/15/576374115.db2.gz RELZFJXYFPRVOR-UHFFFAOYSA-N -1 0 333.351 3.199 20 30 EGEDRM Cn1ccc2c1cccc2C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000739038239 576375371 /nfs/dbraw/zinc/37/53/71/576375371.db2.gz ATSUMWWXGVYQQG-QGZVFWFLSA-N -1 0 334.331 3.033 20 30 EGEDRM N#CC(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])c1nc(-c2ccc(Cl)cc2)cs1 ZINC000739076064 576377018 /nfs/dbraw/zinc/37/70/18/576377018.db2.gz YFJQTGSABMBKGN-GRYCIOLGSA-N -1 0 346.795 3.360 20 30 EGEDRM N#CCn1c(C(=O)Nc2ccc(CNC(=O)[O-])cc2)cc2ccccc21 ZINC000739090979 576377471 /nfs/dbraw/zinc/37/74/71/576377471.db2.gz CODSJLQROKKWRP-UHFFFAOYSA-N -1 0 348.362 3.185 20 30 EGEDRM N#CCOc1ccccc1C(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000739092722 576377663 /nfs/dbraw/zinc/37/76/63/576377663.db2.gz VIGABDSWASCVDR-UHFFFAOYSA-N -1 0 342.376 3.090 20 30 EGEDRM N#Cc1ccc([C@@H](C(=O)[O-])N2CCc3[nH]c4ccc(F)cc4c3C2)cc1 ZINC000739103858 576378050 /nfs/dbraw/zinc/37/80/50/576378050.db2.gz CSRPBYMHQFVBRR-IBGZPJMESA-N -1 0 349.365 3.363 20 30 EGEDRM N#Cc1ccc([C@@H](OC(=O)c2ccc3c(c2)CCCC3)C(=O)[O-])cc1 ZINC000739115211 576378650 /nfs/dbraw/zinc/37/86/50/576378650.db2.gz OKUDFENIHLDIAL-GOSISDBHSA-N -1 0 335.359 3.420 20 30 EGEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N\C[C@H](O)c2ccsc2)c1[O-] ZINC000739425536 576410602 /nfs/dbraw/zinc/41/06/02/576410602.db2.gz FWNHBBAVQUPBJK-REZNQHBMSA-N -1 0 326.761 3.168 20 30 EGEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1cccc(Nc2ccccc2)c1 ZINC000741110640 576655093 /nfs/dbraw/zinc/65/50/93/576655093.db2.gz KVHBPPADHIRHCF-SFHVURJKSA-N -1 0 333.391 3.375 20 30 EGEDRM C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cc(C)ccc1C ZINC000741657751 576709052 /nfs/dbraw/zinc/70/90/52/576709052.db2.gz WIROVTHHYKCPRT-UHFFFAOYSA-N -1 0 333.384 3.255 20 30 EGEDRM Cc1c(C(=O)[O-])oc2c1C(=NNc1cc(Cl)nc(C)n1)CCC2 ZINC000741763756 576718206 /nfs/dbraw/zinc/71/82/06/576718206.db2.gz GBJCERKDWQLQIP-UHFFFAOYSA-N -1 0 334.763 3.191 20 30 EGEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1ccc(OC2CCC2)cc1 ZINC000744027132 576819128 /nfs/dbraw/zinc/81/91/28/576819128.db2.gz JLJUEPDQLQWKRA-SFHVURJKSA-N -1 0 340.423 3.389 20 30 EGEDRM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1scnc1Cl ZINC000744936758 576837351 /nfs/dbraw/zinc/83/73/51/576837351.db2.gz WOYMRVCBGWDSOD-SECBINFHSA-N -1 0 340.191 3.411 20 30 EGEDRM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1scnc1Cl ZINC000744936125 576837277 /nfs/dbraw/zinc/83/72/77/576837277.db2.gz LRAKEGAZSPGQKA-ZETCQYMHSA-N -1 0 340.191 3.411 20 30 EGEDRM Cc1ccc(F)c(NC(=S)NN=Cc2ccccc2C(=O)[O-])c1 ZINC000745005932 576838368 /nfs/dbraw/zinc/83/83/68/576838368.db2.gz MZJJYXDGFXAZAT-UHFFFAOYSA-N -1 0 331.372 3.153 20 30 EGEDRM C[C@@H](C(=O)[O-])N(C)C(=O)c1ccccc1Sc1ccccc1C#N ZINC000817768948 597468134 /nfs/dbraw/zinc/46/81/34/597468134.db2.gz RZSNLHOHWZWGCA-LBPRGKRZSA-N -1 0 340.404 3.255 20 30 EGEDRM CC(C)(C)Cc1nc2cc(NC(=O)[C@](C)(C#N)CC(=O)[O-])ccc2o1 ZINC000819908667 597645756 /nfs/dbraw/zinc/64/57/56/597645756.db2.gz MSLCIKILOXVLNZ-SFHVURJKSA-N -1 0 343.383 3.359 20 30 EGEDRM N#Cc1ccc(C2=CCN(C(=O)c3ccc(C(=O)[O-])cc3)CC2)cc1 ZINC000821329735 598157545 /nfs/dbraw/zinc/15/75/45/598157545.db2.gz IFMSWERXUIAXBE-UHFFFAOYSA-N -1 0 332.359 3.186 20 30 EGEDRM COc1ccc(C(=O)/C=C\c2cccc(C(=O)[O-])c2)cc1NC(C)=O ZINC000774137052 598201769 /nfs/dbraw/zinc/20/17/69/598201769.db2.gz FJHPCRRKFXVMTE-VURMDHGXSA-N -1 0 339.347 3.248 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000819849175 598221738 /nfs/dbraw/zinc/22/17/38/598221738.db2.gz XYJDCBWDGLJLLS-LBPRGKRZSA-N -1 0 334.681 3.302 20 30 EGEDRM CCc1ccc(-c2csc(NC(=O)[C@](C)(C#N)CC(=O)[O-])n2)cc1 ZINC000820480123 598221829 /nfs/dbraw/zinc/22/18/29/598221829.db2.gz USDRGVFPFIFFRC-KRWDZBQOSA-N -1 0 343.408 3.316 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 ZINC000819856557 598224729 /nfs/dbraw/zinc/22/47/29/598224729.db2.gz JQUOCIORXLUCRV-KRWDZBQOSA-N -1 0 349.818 3.273 20 30 EGEDRM Cc1cccc(-c2cccc(CNC(=O)[C@](C)(C#N)CC(=O)[O-])c2)c1 ZINC000821106883 598226394 /nfs/dbraw/zinc/22/63/94/598226394.db2.gz CAPLMIQLDPYXGJ-FQEVSTJZSA-N -1 0 336.391 3.283 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000819855244 598229949 /nfs/dbraw/zinc/22/99/49/598229949.db2.gz ACAPMVVPTNTDJL-CQSZACIVSA-N -1 0 328.290 3.125 20 30 EGEDRM CN(C(=O)CSc1ccccc1C#N)c1ccccc1C(=O)[O-] ZINC000830490631 600729247 /nfs/dbraw/zinc/72/92/47/600729247.db2.gz WUGUWSNHYKNMOJ-UHFFFAOYSA-N -1 0 326.377 3.012 20 30 EGEDRM C=CCOc1ccc(OC(=O)CCc2ccc(C(=O)[O-])cc2)cc1 ZINC000825698843 600932459 /nfs/dbraw/zinc/93/24/59/600932459.db2.gz NKROFVCUBYPYLS-UHFFFAOYSA-N -1 0 326.348 3.488 20 30 EGEDRM C[C@@H](NC(=O)Nc1ccc(F)c(C(=O)[O-])c1)c1cccc(C#N)c1 ZINC000827671027 601025632 /nfs/dbraw/zinc/02/56/32/601025632.db2.gz BCMAWEZLIGNARN-SNVBAGLBSA-N -1 0 327.315 3.278 20 30 EGEDRM N#Cc1ccsc1C(=O)N1C[C@H](C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000833076324 601084815 /nfs/dbraw/zinc/08/48/15/601084815.db2.gz BTGHHVLSRLXXJD-ZIAGYGMSSA-N -1 0 332.425 3.115 20 30 EGEDRM N#Cc1ccccc1/C=C\C(=O)O[C@H](C(=O)[O-])c1ccccc1F ZINC000833074761 601096069 /nfs/dbraw/zinc/09/60/69/601096069.db2.gz BGCPGPIULCQBLV-IBSYWUHOSA-N -1 0 325.295 3.080 20 30 EGEDRM COCc1nc2cc(N[C@@H](C(=O)[O-])c3ccc(C#N)cc3)ccc2o1 ZINC000831832173 601229407 /nfs/dbraw/zinc/22/94/07/601229407.db2.gz WKRWMFSOCZECNO-QGZVFWFLSA-N -1 0 337.335 3.084 20 30 EGEDRM N#Cc1cccc([C@@H](OC(=O)c2cc3cc(F)ccc3[nH]2)C(=O)[O-])c1 ZINC000833076020 601346456 /nfs/dbraw/zinc/34/64/56/601346456.db2.gz GNJNAZNOQRPWIA-MRXNPFEDSA-N -1 0 338.294 3.161 20 30 EGEDRM Cc1cc(C(=O)Nc2ccc(CC#N)cc2)cc(C)c1OCC(=O)[O-] ZINC000832865292 601529228 /nfs/dbraw/zinc/52/92/28/601529228.db2.gz ZGQGBXWYLIIYAN-UHFFFAOYSA-N -1 0 338.363 3.085 20 30 EGEDRM N#Cc1cccc([C@H](OC(=O)[C@H]2C[C@H]2Cc2ccccc2)C(=O)[O-])c1 ZINC000833075542 601604728 /nfs/dbraw/zinc/60/47/28/601604728.db2.gz LPMVCYOPKDOKIY-SQNIBIBYSA-N -1 0 335.359 3.106 20 30 EGEDRM N#Cc1cc(F)c(C(=O)Nc2sc3c(c2C(=O)[O-])CCC3)c(F)c1 ZINC000833068524 601646831 /nfs/dbraw/zinc/64/68/31/601646831.db2.gz ABTKIWSSGCTTSL-UHFFFAOYSA-N -1 0 348.330 3.337 20 30 EGEDRM N#Cc1cc(F)c(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)c(F)c1 ZINC000833068838 601659798 /nfs/dbraw/zinc/65/97/98/601659798.db2.gz MXYZRPVNSLBWLP-UHFFFAOYSA-N -1 0 338.216 3.065 20 30 EGEDRM Cc1sc(C(=O)[O-])cc1COC(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000833030826 601715095 /nfs/dbraw/zinc/71/50/95/601715095.db2.gz CKEJPDZRIMUTGY-JTQLQIEISA-N -1 0 345.376 3.137 20 30 EGEDRM N#Cc1ccccc1/C=C/C(=O)OCc1ccc(C(=O)[O-])c(F)c1 ZINC000833075187 601721314 /nfs/dbraw/zinc/72/13/14/601721314.db2.gz NNSUVLBBQFJOCZ-SOFGYWHQSA-N -1 0 325.295 3.152 20 30 EGEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)N1C[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000827219056 601792276 /nfs/dbraw/zinc/79/22/76/601792276.db2.gz WDILBPVJIWXOAJ-XQQFMLRXSA-N -1 0 347.440 3.265 20 30 EGEDRM C[C@@H]1CN([C@@H](C(=O)[O-])c2cccc(C#N)c2)C[C@@H](c2ccsc2)O1 ZINC000828411851 601886025 /nfs/dbraw/zinc/88/60/25/601886025.db2.gz KTZGFTSRNUCVEO-OAUYIBNBSA-N -1 0 342.420 3.207 20 30 EGEDRM N#Cc1ccccc1/C=C\C(=O)N[C@@H]1CCCCCC[C@@H]1C(=O)[O-] ZINC000833075772 601912952 /nfs/dbraw/zinc/91/29/52/601912952.db2.gz WNHKXVXVZYKLLH-MCLUNCKTSA-N -1 0 326.396 3.111 20 30 EGEDRM C[C@]1(C(=O)[O-])CCN(C(=O)c2ccccc2-c2ccccc2C#N)C1 ZINC000828016756 602004939 /nfs/dbraw/zinc/00/49/39/602004939.db2.gz YJONOBXCGHANCN-FQEVSTJZSA-N -1 0 334.375 3.162 20 30 EGEDRM C[C@@H](Oc1ccc(/C=C2\CCc3cc(O)ccc3C2=O)cc1)C(=O)[O-] ZINC000794708900 602111101 /nfs/dbraw/zinc/11/11/01/602111101.db2.gz VALMPDJCUSIZLF-JXCQQFQQSA-N -1 0 338.359 3.457 20 30 EGEDRM COc1ccc2c(c1)O/C(=C\c1ccc(O[C@H](C)C(=O)[O-])cc1)C2=O ZINC000794698784 602111746 /nfs/dbraw/zinc/11/17/46/602111746.db2.gz BXUSTINIEFKOHX-JWHLFPLYSA-N -1 0 340.331 3.163 20 30 EGEDRM N#Cc1ccc(-c2nnc(CNc3cccc(F)c3C(=O)[O-])o2)cc1 ZINC000833071225 602129277 /nfs/dbraw/zinc/12/92/77/602129277.db2.gz YRPWPISWOUZTLI-UHFFFAOYSA-N -1 0 338.298 3.058 20 30 EGEDRM Cc1ccc(-c2csc(C(C#N)C(=O)[C@H](C)CC(=O)[O-])n2)cc1 ZINC000832907211 602183176 /nfs/dbraw/zinc/18/31/76/602183176.db2.gz OXDDCRJSFWEEIL-YPMHNXCESA-N -1 0 328.393 3.406 20 30 EGEDRM C=C(Br)CNc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000825641914 602252455 /nfs/dbraw/zinc/25/24/55/602252455.db2.gz ASJDEBNJNNXDKE-UHFFFAOYSA-N -1 0 335.541 3.267 20 30 EGEDRM C[C@H](OC1CCCCCC1)C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000827873199 602264951 /nfs/dbraw/zinc/26/49/51/602264951.db2.gz DXCYPOOKRDWIBW-SUMWQHHRSA-N -1 0 345.395 3.355 20 30 EGEDRM CC(=O)c1cc(F)cc(F)c1OCc1cccc(C(=O)[O-])c1C#N ZINC000833400411 604550122 /nfs/dbraw/zinc/55/01/22/604550122.db2.gz GAQYVFVMWRTJPP-UHFFFAOYSA-N -1 0 331.274 3.316 20 30 EGEDRM Cc1cc([C@H](C)OC(=O)c2ccccc2OCC#N)oc1C(=O)[O-] ZINC000832873430 604573197 /nfs/dbraw/zinc/57/31/97/604573197.db2.gz CJGSVZPBUJHGKU-NSHDSACASA-N -1 0 329.308 3.107 20 30 EGEDRM O=C([O-])C[C@@H]1CCCN1C(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC000833211997 604594485 /nfs/dbraw/zinc/59/44/85/604594485.db2.gz SJQCMZIJHFMFCE-IBGZPJMESA-N -1 0 333.387 3.166 20 30 EGEDRM C[C@@H]1CN(Cc2cccc(C(=O)[O-])c2C#N)C[C@H](c2ccsc2)O1 ZINC000833630401 604614034 /nfs/dbraw/zinc/61/40/34/604614034.db2.gz SGNLSCJWHGXNSG-SJKOYZFVSA-N -1 0 342.420 3.280 20 30 EGEDRM CC(C)(Oc1ccc(C#N)cc1)C(=O)O[C@H](C(=O)[O-])c1ccccc1 ZINC000826642332 604616256 /nfs/dbraw/zinc/61/62/56/604616256.db2.gz WKMNKECJQXRJMY-INIZCTEOSA-N -1 0 339.347 3.085 20 30 EGEDRM C=CCCOCCNC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000833374777 604649469 /nfs/dbraw/zinc/64/94/69/604649469.db2.gz DJZLIEGZXQNXJN-UHFFFAOYSA-N -1 0 346.305 3.118 20 30 EGEDRM C#CC[C@@H](NC(=O)Nc1ccc(OCC(=O)[O-])cc1)c1ccccc1 ZINC000833360518 604656091 /nfs/dbraw/zinc/65/60/91/604656091.db2.gz KVECJZVLIBWMBG-QGZVFWFLSA-N -1 0 338.363 3.036 20 30 EGEDRM C=CCCCCCN(C)C(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC000833374266 604920977 /nfs/dbraw/zinc/92/09/77/604920977.db2.gz WMDACMCLLHPEIE-UHFFFAOYSA-N -1 0 330.388 3.471 20 30 EGEDRM C#CC[C@@H](NC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1)c1ccccc1 ZINC000833360952 604988925 /nfs/dbraw/zinc/98/89/25/604988925.db2.gz UCKPGLZTWWEUCG-IAGOWNOFSA-N -1 0 342.439 3.283 20 30 EGEDRM C=CCn1c(S[C@@H](C(=O)[O-])C2CC2)nnc1-c1ccccc1OC ZINC000833380932 605070288 /nfs/dbraw/zinc/07/02/88/605070288.db2.gz TVXPRECOTIHBNU-CQSZACIVSA-N -1 0 345.424 3.095 20 30 EGEDRM C=CC[C@@H](C)NC(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000163121305 605131200 /nfs/dbraw/zinc/13/12/00/605131200.db2.gz BKVLGPQNIKDQDU-MRVPVSSYSA-N -1 0 327.178 3.233 20 30 EGEDRM C=CCCCCCN(C)S(=O)(=O)c1ccc(Cl)cc1C(=O)[O-] ZINC000833373848 605173878 /nfs/dbraw/zinc/17/38/78/605173878.db2.gz GCPIKSCMXPTQKB-UHFFFAOYSA-N -1 0 345.848 3.405 20 30 EGEDRM CCc1oc(C(=O)[O-])cc1COC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000833681122 605223623 /nfs/dbraw/zinc/22/36/23/605223623.db2.gz TXBZEVFVYFVVRZ-UHFFFAOYSA-N -1 0 339.347 3.452 20 30 EGEDRM CC(C)(C)C[C@H](OC(=O)c1cc2ccccc2n1CC#N)C(=O)[O-] ZINC000833429247 605236515 /nfs/dbraw/zinc/23/65/15/605236515.db2.gz IHXQTBIMXKEDMD-HNNXBMFYSA-N -1 0 328.368 3.211 20 30 EGEDRM N#Cc1c(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)cccc1C(=O)[O-] ZINC000833761305 605290589 /nfs/dbraw/zinc/29/05/89/605290589.db2.gz UBUKRDFTBWINOS-UHFFFAOYSA-N -1 0 348.318 3.076 20 30 EGEDRM C[C@@]1(C#N)CCCN(Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000833551806 605419537 /nfs/dbraw/zinc/41/95/37/605419537.db2.gz RYZRTNJGEUAXGH-SFHVURJKSA-N -1 0 325.368 3.165 20 30 EGEDRM C=CCN(Cc1cccs1)C(=O)NCC1(C(=O)[O-])CCCCC1 ZINC000833375814 605433112 /nfs/dbraw/zinc/43/31/12/605433112.db2.gz GYJPFOGQLLZFRW-UHFFFAOYSA-N -1 0 336.457 3.481 20 30 EGEDRM C#CCCCCCC(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC000833361803 605765605 /nfs/dbraw/zinc/76/56/05/605765605.db2.gz MQBOANDLLKPGHZ-UHFFFAOYSA-N -1 0 337.803 3.043 20 30 EGEDRM C=CCSc1ccccc1NC(=O)CN1CCCCC[C@H]1C(=O)[O-] ZINC000833378004 605846921 /nfs/dbraw/zinc/84/69/21/605846921.db2.gz FWUXSXAEXSKAKT-HNNXBMFYSA-N -1 0 348.468 3.232 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2ccc(-c3ccc(F)cc3)o2)C(=O)O1 ZINC000024083556 1291241095 /nfs/dbraw/zinc/24/10/95/1291241095.db2.gz UEWASJLWBIUKFZ-IWHGQQBYSA-N -1 0 340.306 3.314 20 30 EGEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1cc(Cl)c(N)c(Cl)c1 ZINC000028807961 1291315348 /nfs/dbraw/zinc/31/53/48/1291315348.db2.gz LIWXWFPTLFKRNP-UHFFFAOYSA-N -1 0 342.207 3.248 20 30 EGEDRM C[C@@H](CC(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000042233992 1291437111 /nfs/dbraw/zinc/43/71/11/1291437111.db2.gz NHGWARWOSUVXMK-LBPRGKRZSA-N -1 0 348.380 3.434 20 30 EGEDRM O=C(C[C@H]1C=CCC1)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000042241112 1291437539 /nfs/dbraw/zinc/43/75/39/1291437539.db2.gz KLCXCILDEBMGQP-VIFPVBQESA-N -1 0 344.776 3.250 20 30 EGEDRM Cn1c(Cl)c(Cl)cc1C(=O)[N-]S(=O)(=O)c1cccs1 ZINC000042244992 1291438344 /nfs/dbraw/zinc/43/83/44/1291438344.db2.gz DHXHBKARJCLFAC-UHFFFAOYSA-N -1 0 339.225 3.087 20 30 EGEDRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)c1ccc(Cl)c(Cl)c1 ZINC000042291183 1291439134 /nfs/dbraw/zinc/43/91/34/1291439134.db2.gz GREHUTHBCXAAQR-UHFFFAOYSA-N -1 0 349.195 3.292 20 30 EGEDRM N#Cc1ccccc1C=CC(=O)[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC000045099958 1291504934 /nfs/dbraw/zinc/50/49/34/1291504934.db2.gz BKPSXFWBMGCHJZ-JXMROGBWSA-N -1 0 344.367 3.197 20 30 EGEDRM O=C(Cc1ccccc1F)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000046708879 1291551673 /nfs/dbraw/zinc/55/16/73/1291551673.db2.gz ZEKDKAFDGAWABB-UHFFFAOYSA-N -1 0 327.764 3.367 20 30 EGEDRM Cc1ccc(O[C@H](C)C(=O)[N-]S(=O)(=O)c2cccs2)cc1 ZINC000048427514 1291604207 /nfs/dbraw/zinc/60/42/07/1291604207.db2.gz BNGJDVUCWDJKMX-LLVKDONJSA-N -1 0 325.411 3.169 20 30 EGEDRM O=C(CC[C@H]1CCCO1)[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000048615906 1291613596 /nfs/dbraw/zinc/61/35/96/1291613596.db2.gz XAPQAOMFRVCNKV-OAHLLOKOSA-N -1 0 337.441 3.170 20 30 EGEDRM COCc1ccccc1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000048613199 1291613885 /nfs/dbraw/zinc/61/38/85/1291613885.db2.gz ZNPXDLVGWKJFTK-UHFFFAOYSA-N -1 0 345.420 3.015 20 30 EGEDRM O=C([N-]S(=O)(=O)N1CCCCC1)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000052794035 1291712200 /nfs/dbraw/zinc/71/22/00/1291712200.db2.gz KCXNHLSCJBPJSR-MNOVXSKESA-N -1 0 342.383 3.042 20 30 EGEDRM N#Cc1cccc(C(=O)[N-]S(=O)(=O)C2=Cc3ccccc3CC2)c1 ZINC000058034234 1291875141 /nfs/dbraw/zinc/87/51/41/1291875141.db2.gz BAGJPXKKVIULBG-UHFFFAOYSA-N -1 0 338.388 3.180 20 30 EGEDRM O=C(COc1ccc(F)cc1Cl)[N-]S(=O)(=O)C1CCCCC1 ZINC000058077138 1291878547 /nfs/dbraw/zinc/87/85/47/1291878547.db2.gz HAMDIFSWFRHLKL-UHFFFAOYSA-N -1 0 349.811 3.477 20 30 EGEDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)Cc1cn(C)c2ccccc12 ZINC000062674043 1291996690 /nfs/dbraw/zinc/99/66/90/1291996690.db2.gz OWEHNJZXOGTQIM-UHFFFAOYSA-N -1 0 342.420 3.375 20 30 EGEDRM Cc1nc(C)c(C(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2F)s1 ZINC000064696046 1292063875 /nfs/dbraw/zinc/06/38/75/1292063875.db2.gz NHFOLNUWUKXPRV-UHFFFAOYSA-N -1 0 348.808 3.246 20 30 EGEDRM COc1ccc(S(=O)(=O)[N-]C(=O)CSCCC(C)C)cc1 ZINC000066003632 1292103498 /nfs/dbraw/zinc/10/34/98/1292103498.db2.gz UDAORMKJNKEPGC-UHFFFAOYSA-N -1 0 331.459 3.120 20 30 EGEDRM CCc1ccsc1C(=O)[N-]S(=O)(=O)c1cccc(C(C)=O)c1 ZINC000066003255 1292103847 /nfs/dbraw/zinc/10/38/47/1292103847.db2.gz YIHXEJDWTRCYDD-UHFFFAOYSA-N -1 0 337.422 3.207 20 30 EGEDRM CCO[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000069641971 1292247155 /nfs/dbraw/zinc/24/71/55/1292247155.db2.gz SQSCUTSWKFLOKQ-NTSWFWBYSA-N -1 0 344.241 3.125 20 30 EGEDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)CO[C@@H]1CCCC[C@H]1C ZINC000073086770 1292304059 /nfs/dbraw/zinc/30/40/59/1292304059.db2.gz IAQBNLZNXUFGJF-TZMCWYRMSA-N -1 0 325.430 3.236 20 30 EGEDRM C[C@@H](CCOc1ccccc1)C(=O)[N-]S(=O)(=O)c1ccccc1 ZINC000075025002 1292379560 /nfs/dbraw/zinc/37/95/60/1292379560.db2.gz KTQFWBIKIXZNRW-AWEZNQCLSA-N -1 0 333.409 3.437 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCOc3ccccc32)c(F)c1 ZINC000075040410 1292380140 /nfs/dbraw/zinc/38/01/40/1292380140.db2.gz BSDLRWUVVOACJW-CYBMUJFWSA-N -1 0 349.383 3.346 20 30 EGEDRM O=C(CCc1cc(Cl)cs1)[N-]S(=O)(=O)N1CCCCC1 ZINC000077867082 1292488943 /nfs/dbraw/zinc/48/89/43/1292488943.db2.gz OZMFPNMPPWNVNX-UHFFFAOYSA-N -1 0 336.866 3.021 20 30 EGEDRM O=C(CCC1CCC1)[N-]S(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000079149759 1292544003 /nfs/dbraw/zinc/54/40/03/1292544003.db2.gz HKQHRZNDPQUUBO-UHFFFAOYSA-N -1 0 341.820 3.213 20 30 EGEDRM O=C(COc1ccc2ccccc2c1)[N-]S(=O)(=O)C1CCCC1 ZINC000086055967 1292728465 /nfs/dbraw/zinc/72/84/65/1292728465.db2.gz ZBYZINYVJQATOB-UHFFFAOYSA-N -1 0 333.409 3.448 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)Cc2ccc(F)c(F)c2)cc1C ZINC000088799922 1292756117 /nfs/dbraw/zinc/75/61/17/1292756117.db2.gz OCCSHJAKXWZIAB-UHFFFAOYSA-N -1 0 339.363 3.470 20 30 EGEDRM Cc1c(C(=O)[N-]S(=O)(=O)c2cc(C)ccc2C)cnn1C(C)C ZINC000092693075 1292883634 /nfs/dbraw/zinc/88/36/34/1292883634.db2.gz BWDVNUVVHLPTKV-UHFFFAOYSA-N -1 0 335.429 3.083 20 30 EGEDRM COc1ccc(C(=O)/C=C\c2cc(OC)c(OC)cc2OC)c([O-])c1 ZINC000095909060 1292946976 /nfs/dbraw/zinc/94/69/76/1292946976.db2.gz AXUGKAPKSQUOCO-YVMONPNESA-N -1 0 344.363 3.323 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])c(/C=N/CCc2nc3c(s2)CCCC3)c1 ZINC000119534211 1293276675 /nfs/dbraw/zinc/27/66/75/1293276675.db2.gz WCCWDVXEDGJQEI-LICLKQGHSA-N -1 0 331.397 3.297 20 30 EGEDRM CC(C)CCOc1ccc(C([O-])=C(C#N)C(=O)NC2CCCC2)cc1 ZINC000119830062 1293290382 /nfs/dbraw/zinc/29/03/82/1293290382.db2.gz ZLXUCOJPOYVWEW-SFHVURJKSA-N -1 0 342.439 3.493 20 30 EGEDRM CC(=O)c1cc(C([O-])=C(C#N)C(=O)c2c(C)[nH]c3ccccc32)n(C)c1 ZINC000121004756 1293351230 /nfs/dbraw/zinc/35/12/30/1293351230.db2.gz PULLEFRARDFMLC-OAHLLOKOSA-N -1 0 347.374 3.223 20 30 EGEDRM CC(C)(C)c1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccn2)s1 ZINC000122124463 1293402301 /nfs/dbraw/zinc/40/23/01/1293402301.db2.gz RFABHZQSQIXOAB-NSHDSACASA-N -1 0 327.409 3.402 20 30 EGEDRM N#CC[C@H](CC(=O)[N-]S(=O)(=O)CCC1CCCC1)c1ccccc1 ZINC000835949300 1293408360 /nfs/dbraw/zinc/40/83/60/1293408360.db2.gz DJHCRPQZPUBVRF-QGZVFWFLSA-N -1 0 348.468 3.100 20 30 EGEDRM Cc1c(C([O-])=C(C#N)C(=O)c2nccn2C)oc2c1c(C)ccc2C ZINC000122779914 1293423779 /nfs/dbraw/zinc/42/37/79/1293423779.db2.gz XQHCLKQCNURGRD-CYBMUJFWSA-N -1 0 335.363 3.297 20 30 EGEDRM N#CC(C(=O)NC1CC1)=C([O-])c1cncc(-c2ccc(Cl)cc2)c1 ZINC000124558437 1293479269 /nfs/dbraw/zinc/47/92/69/1293479269.db2.gz SFMIWSVMEZKNFW-MRXNPFEDSA-N -1 0 339.782 3.003 20 30 EGEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(-c2ccccc2F)o1 ZINC000124547550 1293479309 /nfs/dbraw/zinc/47/93/09/1293479309.db2.gz BRCJKATUYABKME-CYBMUJFWSA-N -1 0 326.327 3.031 20 30 EGEDRM Cc1ccc(Cl)cc1C([O-])=C(C#N)C(=O)NCc1ccccc1 ZINC000126079929 1293524756 /nfs/dbraw/zinc/52/47/56/1293524756.db2.gz GBBKYAODOYYTPZ-MRXNPFEDSA-N -1 0 326.783 3.287 20 30 EGEDRM N#CC(C(=O)Nc1ccccc1)=C([O-])c1sccc1Br ZINC000128173723 1293585618 /nfs/dbraw/zinc/58/56/18/1293585618.db2.gz MQWIIPPUSOGUAW-JTQLQIEISA-N -1 0 349.209 3.472 20 30 EGEDRM N#CC(C(=O)NC1CC1)=C([O-])c1ccc(-c2ccc(F)cc2)s1 ZINC000129234035 1293618354 /nfs/dbraw/zinc/61/83/54/1293618354.db2.gz BTGDDMQKLKHCBI-CYBMUJFWSA-N -1 0 328.368 3.155 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)C(=O)NC2CC2)c(C)n1C1CCCCC1 ZINC000129443318 1293623656 /nfs/dbraw/zinc/62/36/56/1293623656.db2.gz SJVJRPFRZUHRGK-KRWDZBQOSA-N -1 0 327.428 3.211 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2ccccc2OC2CCCC2)C(=O)O1 ZINC000130666628 1293664883 /nfs/dbraw/zinc/66/48/83/1293664883.db2.gz DEBOLEJPTUIXBY-OEIFXAAASA-N -1 0 340.375 3.236 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)C(=O)NC(C)C)c(C)n1-c1ccc(F)cc1 ZINC000130811891 1293669211 /nfs/dbraw/zinc/66/92/11/1293669211.db2.gz VUNOXQDBNSCEJV-QGZVFWFLSA-N -1 0 341.386 3.080 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(Cl)c(OC)c1 ZINC000136408608 1293816002 /nfs/dbraw/zinc/81/60/02/1293816002.db2.gz WKILFQSSEQTNHV-CYBMUJFWSA-N -1 0 336.819 3.368 20 30 EGEDRM Cc1nc2ccc([N-]S(=O)(=O)c3cccc(C)c3C#N)cc2o1 ZINC000137238640 1293828451 /nfs/dbraw/zinc/82/84/51/1293828451.db2.gz CYNPZZMQOWIKHI-UHFFFAOYSA-N -1 0 327.365 3.117 20 30 EGEDRM C=CCC(CC=C)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000151102835 1293908162 /nfs/dbraw/zinc/90/81/62/1293908162.db2.gz FWQYDPJWPVZWNQ-UHFFFAOYSA-N -1 0 333.453 3.139 20 30 EGEDRM COc1ccc([O-])c(C(=O)/C=C/c2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000156694106 1294155298 /nfs/dbraw/zinc/15/52/98/1294155298.db2.gz IGCJNMQHPGHHFH-ZZXKWVIFSA-N -1 0 329.308 3.214 20 30 EGEDRM CCCN(CCC)C(=O)CCCC(=O)Nc1cc(C#N)ccc1[O-] ZINC000176820476 1294634291 /nfs/dbraw/zinc/63/42/91/1294634291.db2.gz AOHGJOUVMYFVJW-UHFFFAOYSA-N -1 0 331.416 3.021 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)c2cccc(OCc3cccnc3)c2)c1 ZINC000176818886 1294634765 /nfs/dbraw/zinc/63/47/65/1294634765.db2.gz ONDKTRTXQMCVPV-UHFFFAOYSA-N -1 0 345.358 3.490 20 30 EGEDRM C=C[C@@H](CC(=O)[N-]S(=O)(=O)CCc1ccccc1)c1ccccc1 ZINC000179047285 1294770339 /nfs/dbraw/zinc/77/03/39/1294770339.db2.gz LIMDYOMYIQZCTD-KRWDZBQOSA-N -1 0 343.448 3.035 20 30 EGEDRM C[C@@H](CC(=O)C(C#N)=C([O-])c1nccn1C)Cc1ccc(Cl)cc1 ZINC000179843991 1294831707 /nfs/dbraw/zinc/83/17/07/1294831707.db2.gz ZVSLHCRJVOSWCC-IUODEOHRSA-N -1 0 343.814 3.234 20 30 EGEDRM C=CCN(c1ccccc1)S(=O)(=O)c1cc(C)c(F)c(C(=O)[O-])c1 ZINC000185109390 1295241781 /nfs/dbraw/zinc/24/17/81/1295241781.db2.gz KPBQAIBWJGVWCZ-UHFFFAOYSA-N -1 0 349.383 3.214 20 30 EGEDRM Cc1ccn(C[C@@H](C)C(=O)C(C#N)=C([O-])c2c(C)[nH]c3ccccc32)n1 ZINC000870122229 1295673965 /nfs/dbraw/zinc/67/39/65/1295673965.db2.gz HEZIZGZWPOVCAN-WBMJQRKESA-N -1 0 348.406 3.209 20 30 EGEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1cc(Cl)cc(Cl)c1F ZINC000870132692 1295690033 /nfs/dbraw/zinc/69/00/33/1295690033.db2.gz KXCDURGMOFHDQC-JTQLQIEISA-N -1 0 329.158 3.077 20 30 EGEDRM O=C([O-])c1cc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cs1 ZINC000193046820 1295830784 /nfs/dbraw/zinc/83/07/84/1295830784.db2.gz TVIFUYIYQUKSKE-DUXPYHPUSA-N -1 0 348.292 3.159 20 30 EGEDRM O=C([O-])COc1cccc(C(=O)C=Cc2nc(-c3ccccc3)c[nH]2)c1 ZINC000193125613 1295835373 /nfs/dbraw/zinc/83/53/73/1295835373.db2.gz PIGCULCSLQZADR-MDZDMXLPSA-N -1 0 348.358 3.436 20 30 EGEDRM COc1cc(C=CC(=O)c2sccc2[O-])c([N+](=O)[O-])cc1OC ZINC000193150260 1295837341 /nfs/dbraw/zinc/83/73/41/1295837341.db2.gz PBMLGBMQVXOHRZ-ONEGZZNKSA-N -1 0 335.337 3.275 20 30 EGEDRM CC(C)NC(=O)C(C#N)=C([O-])c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3 ZINC000193485348 1295875031 /nfs/dbraw/zinc/87/50/31/1295875031.db2.gz MQLAHEGCGZSULH-MLGOLLRUSA-N -1 0 337.423 3.140 20 30 EGEDRM C[C@@H](Oc1cccc(C(=O)/C=C\c2ccc(C#N)s2)c1)C(=O)[O-] ZINC000255131182 1296501651 /nfs/dbraw/zinc/50/16/51/1296501651.db2.gz SWUCSEVHVRYHIT-SKVAFPRGSA-N -1 0 327.361 3.368 20 30 EGEDRM N#CCOc1ccc(C/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC000255166672 1296506307 /nfs/dbraw/zinc/50/63/07/1296506307.db2.gz SUTAGUFRPVSKHS-GRSHGNNSSA-N -1 0 345.742 3.475 20 30 EGEDRM O=C1CCCN1Cc1ccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000255376343 1296525497 /nfs/dbraw/zinc/52/54/97/1296525497.db2.gz SGVREGWVQXGTDW-UHFFFAOYSA-N -1 0 339.351 3.173 20 30 EGEDRM CN(C)[C@H](C/N=C\c1cc([N+](=O)[O-])ccc1[O-])c1c(F)cccc1F ZINC000255558664 1296545885 /nfs/dbraw/zinc/54/58/85/1296545885.db2.gz KTWXCUZNHHECIK-WJHPISCYSA-N -1 0 349.337 3.300 20 30 EGEDRM Cc1cccc([C@H](O)C/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])c1 ZINC000255830732 1296568674 /nfs/dbraw/zinc/56/86/74/1296568674.db2.gz GUDLSKUGIUCHKG-OADJVDCOSA-N -1 0 334.759 3.415 20 30 EGEDRM CCCCCCCS(=O)(=O)[N-]c1nnc([C@H]2CCCO2)s1 ZINC000872010269 1296651666 /nfs/dbraw/zinc/65/16/66/1296651666.db2.gz LPOFBOBFEKBFRS-LLVKDONJSA-N -1 0 333.479 3.102 20 30 EGEDRM C=CCC[C@H](NC(=O)c1ccc(C2SCCS2)cc1)C(=O)[O-] ZINC000262905479 1296653139 /nfs/dbraw/zinc/65/31/39/1296653139.db2.gz MQIOPMLRALXBDB-ZDUSSCGKSA-N -1 0 337.466 3.314 20 30 EGEDRM C=CCC[C@H](NC(=O)[C@@H](C)Oc1cccc2ccccc21)C(=O)[O-] ZINC000263519672 1296689238 /nfs/dbraw/zinc/68/92/38/1296689238.db2.gz GNDNDOMXNXGXFP-CJNGLKHVSA-N -1 0 327.380 3.143 20 30 EGEDRM O=C([O-])Cn1cc(C=NNC[C@@H]2CCCC2(F)F)c2ccccc21 ZINC000872405759 1296938473 /nfs/dbraw/zinc/93/84/73/1296938473.db2.gz CWBPJQLJLDXTAP-ZDUSSCGKSA-N -1 0 335.354 3.085 20 30 EGEDRM C=CCCCCCCNS(=O)(=O)c1cc(C)c(C(=O)[O-])s1 ZINC000314560784 1297129347 /nfs/dbraw/zinc/12/93/47/1297129347.db2.gz DRUGRQDQGVUIKS-UHFFFAOYSA-N -1 0 331.459 3.170 20 30 EGEDRM COc1ccc(/C=C2\CCc3oc(C(=O)[O-])c(C)c3C2=O)cc1C#N ZINC000606443293 1298096316 /nfs/dbraw/zinc/09/63/16/1298096316.db2.gz ARSKWBDKRBODPA-KPKJPENVSA-N -1 0 337.331 3.379 20 30 EGEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cncc(Cl)c2)c1 ZINC000691052245 1298131709 /nfs/dbraw/zinc/13/17/09/1298131709.db2.gz MGOZKMLVFOJUKB-UHFFFAOYSA-N -1 0 328.180 3.061 20 30 EGEDRM O=c1c2ccccc2[n-]c(=S)n1N=Cc1ccccc1OC(F)F ZINC000725858033 1298377299 /nfs/dbraw/zinc/37/72/99/1298377299.db2.gz FBNWGJLINNUIIK-UHFFFAOYSA-N -1 0 347.346 3.169 20 30 EGEDRM Cc1cc2nc(C)cc(C([O-])=C(C#N)c3nc(C(C)C)cs3)n2n1 ZINC000747193015 1298740829 /nfs/dbraw/zinc/74/08/29/1298740829.db2.gz CKTWNHHLONXLID-LBPRGKRZSA-N -1 0 339.424 3.416 20 30 EGEDRM O=S(=O)([N-]c1nccs1)c1ccc(N=NC2CCCC2)cc1 ZINC000748081915 1298923907 /nfs/dbraw/zinc/92/39/07/1298923907.db2.gz SNJHLOGOAWGZAR-UHFFFAOYSA-N -1 0 336.442 3.286 20 30 EGEDRM CC(C)(C)OC(=O)NC(C)(C)CCC(=O)Nc1cc(C#N)ccc1[O-] ZINC000748410937 1299004962 /nfs/dbraw/zinc/00/49/62/1299004962.db2.gz HFHZXFWECXENCP-UHFFFAOYSA-N -1 0 347.415 3.286 20 30 EGEDRM CCOc1ccc([N+](=O)[O-])cc1C=NNc1ccc(C(=O)[O-])cc1 ZINC000748580464 1299041407 /nfs/dbraw/zinc/04/14/07/1299041407.db2.gz PASQKBLQVSDNKW-UHFFFAOYSA-N -1 0 329.312 3.138 20 30 EGEDRM CSCC(=Nn1c(=S)[n-]nc1C(F)(F)F)c1ccccc1 ZINC000749442727 1299213852 /nfs/dbraw/zinc/21/38/52/1299213852.db2.gz DMYKEIRKBBVKCP-UHFFFAOYSA-N -1 0 332.376 3.201 20 30 EGEDRM C#Cc1cccc(NC(=O)c2nn(-c3ccc(F)cc3C)cc2[O-])c1 ZINC000751191717 1299522323 /nfs/dbraw/zinc/52/23/23/1299522323.db2.gz UBPZANFEXWEPNN-UHFFFAOYSA-N -1 0 335.338 3.259 20 30 EGEDRM O=C(/C=C/c1ccc([O-])c([N+](=O)[O-])c1)c1cc(F)ccc1[N+](=O)[O-] ZINC000752875409 1299811185 /nfs/dbraw/zinc/81/11/85/1299811185.db2.gz PMRJMHBMZFROPP-ORCRQEGFSA-N -1 0 332.243 3.244 20 30 EGEDRM O=C(/C=C\c1ccc([O-])c([N+](=O)[O-])c1)c1cc([N+](=O)[O-])ccc1F ZINC000752886183 1299812648 /nfs/dbraw/zinc/81/26/48/1299812648.db2.gz VZOXIQJZMHXJPP-KTAJNNJTSA-N -1 0 332.243 3.244 20 30 EGEDRM CC(C)(C#N)CCS(=O)(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000753013839 1299848914 /nfs/dbraw/zinc/84/89/14/1299848914.db2.gz AOXJZADWTKXOGS-UHFFFAOYSA-N -1 0 337.228 3.381 20 30 EGEDRM CCCCCCCCCCNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000755639909 1300370963 /nfs/dbraw/zinc/37/09/63/1300370963.db2.gz PLIKOYBCTSZRPQ-UHFFFAOYSA-N -1 0 346.431 3.307 20 30 EGEDRM C=CCS(=O)(=O)[N-]C(=O)c1cc(Cl)ccc1SCCCC ZINC000755761334 1300391629 /nfs/dbraw/zinc/39/16/29/1300391629.db2.gz YTOAPHSNEORHBP-UHFFFAOYSA-N -1 0 347.889 3.478 20 30 EGEDRM C[C@@H](C=Nn1c(=O)c2ccccc2[n-]c1=S)c1ccc(F)cc1 ZINC000756881746 1300583746 /nfs/dbraw/zinc/58/37/46/1300583746.db2.gz RPZUMUZPKMHEGG-NSHDSACASA-N -1 0 327.384 3.462 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1NN=C(C)c1c(F)cccc1OC ZINC000756901664 1300585180 /nfs/dbraw/zinc/58/51/80/1300585180.db2.gz VKEGILCFBOUXQN-UHFFFAOYSA-N -1 0 332.331 3.377 20 30 EGEDRM CCc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2O)cc1CC ZINC000756936735 1300592728 /nfs/dbraw/zinc/59/27/28/1300592728.db2.gz SOZAYJMNWIWHPD-UHFFFAOYSA-N -1 0 330.409 3.189 20 30 EGEDRM O=C(/C=C/c1cn(-c2ccccc2)nn1)c1cc(F)cc(F)c1[O-] ZINC000757473804 1300675317 /nfs/dbraw/zinc/67/53/17/1300675317.db2.gz PRHIMQBWFXKWMB-VOTSOKGWSA-N -1 0 327.290 3.147 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)C(C)(C)C2CCCC2)n1 ZINC000757837116 1300744055 /nfs/dbraw/zinc/74/40/55/1300744055.db2.gz NRKBPYHRHTWMHY-ZDUSSCGKSA-N -1 0 334.441 3.387 20 30 EGEDRM COC(=O)[C@H](C)Oc1ccc(/C=C\C(=O)c2cc(F)ccc2[O-])cc1 ZINC000758432446 1300881838 /nfs/dbraw/zinc/88/18/38/1300881838.db2.gz AYWXFDKSXKTDSL-LRAPTIAOSA-N -1 0 344.338 3.368 20 30 EGEDRM O=C(/C=C/c1cccc2c1OCCCO2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000759091186 1301013355 /nfs/dbraw/zinc/01/33/55/1301013355.db2.gz PLIXOAMNCBAUFD-FNORWQNLSA-N -1 0 341.319 3.358 20 30 EGEDRM Cc1nc2cc([N-]S(=O)(=O)c3cccc(Cl)c3C#N)ccc2[nH]1 ZINC000759149104 1301026437 /nfs/dbraw/zinc/02/64/37/1301026437.db2.gz VPOQNBYGBHKTTC-UHFFFAOYSA-N -1 0 346.799 3.197 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)c2ccccc2OCc2ccncc2)c1 ZINC000759714073 1301148559 /nfs/dbraw/zinc/14/85/59/1301148559.db2.gz TXVNPFGAPAEJHU-UHFFFAOYSA-N -1 0 345.358 3.490 20 30 EGEDRM Cc1nnc(NN=C(CCc2ccccc2)c2ccccc2)[n-]c1=O ZINC000762602184 1301710113 /nfs/dbraw/zinc/71/01/13/1301710113.db2.gz DMSCYAOJJAJJTR-UHFFFAOYSA-N -1 0 333.395 3.335 20 30 EGEDRM CC[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1)C1CCC(C)CC1 ZINC000764754495 1302127847 /nfs/dbraw/zinc/12/78/47/1302127847.db2.gz WAPKQXSQASRRSX-PUJMQQBBSA-N -1 0 348.468 3.216 20 30 EGEDRM N#CCc1ccc([N-]S(=O)(=O)c2c(Cl)ccnc2Cl)cc1 ZINC000766896675 1302542106 /nfs/dbraw/zinc/54/21/06/1302542106.db2.gz QTSRLYUHRGRFOS-UHFFFAOYSA-N -1 0 342.207 3.255 20 30 EGEDRM N#CCOc1ccc(CC(=O)Nc2cc(F)cc(Cl)c2[O-])cc1 ZINC000771505523 1303414032 /nfs/dbraw/zinc/41/40/32/1303414032.db2.gz PRMINBVDMMNQIX-UHFFFAOYSA-N -1 0 334.734 3.268 20 30 EGEDRM Cc1c(C(=O)/C=C/c2cc([O-])ccc2[N+](=O)[O-])c(C#N)c2n1CCC2 ZINC000772805397 1303579333 /nfs/dbraw/zinc/57/93/33/1303579333.db2.gz GTGRAGSIWFGMPD-QPJJXVBHSA-N -1 0 337.335 3.124 20 30 EGEDRM O=C([O-])CCOc1ccc(/C=C2\Oc3cc(F)ccc3C2=O)cc1 ZINC000773171542 1303636934 /nfs/dbraw/zinc/63/69/34/1303636934.db2.gz JNKVKCKROXSPGS-SXGWCWSVSA-N -1 0 328.295 3.295 20 30 EGEDRM CC(C)Cn1ccc2c1cccc2C([O-])=C(C#N)C(=O)N1CCCC1 ZINC000774042673 1303767508 /nfs/dbraw/zinc/76/75/08/1303767508.db2.gz HQZBMBSZSALHGH-QGZVFWFLSA-N -1 0 337.423 3.242 20 30 EGEDRM O=C([O-])COc1ccc(Br)cc1C=NOC1CCCC1 ZINC000774608400 1303833592 /nfs/dbraw/zinc/83/35/92/1303833592.db2.gz MJZJPGYVIMWNJA-UHFFFAOYSA-N -1 0 342.189 3.206 20 30 EGEDRM O=C([O-])COc1ccc(C=NOC2CCCC2)cc1Br ZINC000774604395 1303833727 /nfs/dbraw/zinc/83/37/27/1303833727.db2.gz WPJJBSWVFXGNQZ-UHFFFAOYSA-N -1 0 342.189 3.206 20 30 EGEDRM O=C([O-])COc1cccc(C(=O)/C=C\c2nc3c(s2)CCCC3)c1 ZINC000776266116 1304124242 /nfs/dbraw/zinc/12/42/42/1304124242.db2.gz OFHGLKVVQVPTDB-HJWRWDBZSA-N -1 0 343.404 3.381 20 30 EGEDRM CC(=NNc1ccc([N+](=O)[O-])cc1)c1cc(C(=O)[O-])c(C)nc1C ZINC000776722594 1304188025 /nfs/dbraw/zinc/18/80/25/1304188025.db2.gz UPHFNEQKWMCQFX-UHFFFAOYSA-N -1 0 328.328 3.141 20 30 EGEDRM O=C([O-])C(F)(F)Oc1ccc(C=NOCCC(F)(F)F)cc1 ZINC000777459727 1304300613 /nfs/dbraw/zinc/30/06/13/1304300613.db2.gz KYMDKIIVCGQRAX-UHFFFAOYSA-N -1 0 327.205 3.046 20 30 EGEDRM N#CC1(CS(=O)(=O)[N-]C(=O)CCCC2CCCCC2)CCCC1 ZINC000779315452 1304555351 /nfs/dbraw/zinc/55/53/51/1304555351.db2.gz UYECIJRYBSWIFJ-UHFFFAOYSA-N -1 0 340.489 3.267 20 30 EGEDRM COCCOc1ccc(C(=O)/C=C/c2ccc(O)c(C(=O)[O-])c2)cc1 ZINC000779358574 1304560503 /nfs/dbraw/zinc/56/05/03/1304560503.db2.gz JIARGVMQZGRYLH-KRXBUXKQSA-N -1 0 342.347 3.012 20 30 EGEDRM COc1ccc(C(=O)/C=C/c2ccc(O)c(C(=O)[O-])c2)c(OC)c1 ZINC000779358116 1304560981 /nfs/dbraw/zinc/56/09/81/1304560981.db2.gz MUVHEZTXFNCALP-XVNBXDOJSA-N -1 0 328.320 3.004 20 30 EGEDRM C#CCN(C(=O)c1nn(-c2ccc(F)cc2)cc1[O-])C1CCCCC1 ZINC000779506053 1304578707 /nfs/dbraw/zinc/57/87/07/1304578707.db2.gz NIZRFJOXGJQCGI-UHFFFAOYSA-N -1 0 341.386 3.125 20 30 EGEDRM C#CCCCCCC(=O)[N-]S(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000780297680 1304673808 /nfs/dbraw/zinc/67/38/08/1304673808.db2.gz FBDBOTQOCKHLTL-UHFFFAOYSA-N -1 0 335.469 3.309 20 30 EGEDRM C#CCCCCCC(=O)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000780300712 1304673864 /nfs/dbraw/zinc/67/38/64/1304673864.db2.gz DMUCQYVSXKAKIV-UHFFFAOYSA-N -1 0 348.251 3.382 20 30 EGEDRM C=CCC[C@H](NC(=O)N[C@H](CC(F)F)C(=O)[O-])c1ccccc1 ZINC000780689717 1304725475 /nfs/dbraw/zinc/72/54/75/1304725475.db2.gz KNJFRIQNOTXSBY-QWHCGFSZSA-N -1 0 326.343 3.102 20 30 EGEDRM COC(=O)COc1ccc(/C=C2\CCc3cc(O)ccc3C2=O)cc1 ZINC000782192058 1304928264 /nfs/dbraw/zinc/92/82/64/1304928264.db2.gz VJKGYNYUFHOLNJ-XNTDXEJSSA-N -1 0 338.359 3.157 20 30 EGEDRM Cc1ccc(Oc2ccc(C([O-])=C(C#N)C(=O)N3CCCC3)cc2)nc1 ZINC000892457951 1305384824 /nfs/dbraw/zinc/38/48/24/1305384824.db2.gz RTCFIXIOTUQYPS-QGZVFWFLSA-N -1 0 349.390 3.127 20 30 EGEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2cc3nc(C)ccc3o2)c1 ZINC000786549164 1305595616 /nfs/dbraw/zinc/59/56/16/1305595616.db2.gz PAECFMVIQVYHJW-HNNXBMFYSA-N -1 0 347.374 3.084 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)C(=O)NCc2ccc(F)cc2F)c(C)s1 ZINC000786553741 1305596305 /nfs/dbraw/zinc/59/63/05/1305596305.db2.gz ISYGWWIOOPPMBX-CQSZACIVSA-N -1 0 348.374 3.282 20 30 EGEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2cn(C)c3ccccc23)c1 ZINC000786552429 1305596858 /nfs/dbraw/zinc/59/68/58/1305596858.db2.gz MGOFLXOONJEHRK-KRWDZBQOSA-N -1 0 345.402 3.126 20 30 EGEDRM Cc1cc(F)cc(C([O-])=C(C#N)C(=O)NCc2ccc(F)cc2F)c1 ZINC000786554989 1305596907 /nfs/dbraw/zinc/59/69/07/1305596907.db2.gz QSZGQUUSHHQXFL-OAHLLOKOSA-N -1 0 346.308 3.051 20 30 EGEDRM CCc1ccsc1C([O-])=C(C#N)C(=O)NCc1ccc(F)cc1F ZINC000786557977 1305598221 /nfs/dbraw/zinc/59/82/21/1305598221.db2.gz ATRZCDOMCVQXDL-ZDUSSCGKSA-N -1 0 348.374 3.228 20 30 EGEDRM C=CC(C)(C)CC(=O)[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000892987254 1305640971 /nfs/dbraw/zinc/64/09/71/1305640971.db2.gz BBKPTCWBYZOZRS-UHFFFAOYSA-N -1 0 337.775 3.025 20 30 EGEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1ccnn1C(C)C)c1ccccc1 ZINC000787035426 1305679968 /nfs/dbraw/zinc/67/99/68/1305679968.db2.gz MROOKJJRJOEKLB-HZPDHXFCSA-N -1 0 338.411 3.054 20 30 EGEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1ccc2cc[nH]c2n1)c1ccccc1 ZINC000787040634 1305681626 /nfs/dbraw/zinc/68/16/26/1305681626.db2.gz WDKCGXLXQVQEQU-JKSUJKDBSA-N -1 0 346.390 3.153 20 30 EGEDRM Cc1nnc(N=NC[C@H](C)c2ccc(C(F)(F)F)cc2)[n-]c1=O ZINC000788967624 1306053042 /nfs/dbraw/zinc/05/30/42/1306053042.db2.gz QHFUEDVVTMGTDN-QMMMGPOBSA-N -1 0 325.294 3.106 20 30 EGEDRM Cc1nc(Cl)cc(N=NC2CC[C@@H](C(=O)[O-])c3ccccc32)n1 ZINC000789020096 1306067278 /nfs/dbraw/zinc/06/72/78/1306067278.db2.gz DPKYFIDKIFYVPU-GFCCVEGCSA-N -1 0 330.775 3.217 20 30 EGEDRM N#Cc1c([N-]S(=O)(=O)C=Cc2cccc(Cl)c2)n[nH]c1C1CC1 ZINC000792660635 1309203953 /nfs/dbraw/zinc/20/39/53/1309203953.db2.gz HHMOQGXQAIBKON-SREVYHEPSA-N -1 0 348.815 3.225 20 30 EGEDRM N#Cc1c([N-]S(=O)(=O)C=Cc2ccccc2Cl)n[nH]c1C1CC1 ZINC000792662712 1309204156 /nfs/dbraw/zinc/20/41/56/1309204156.db2.gz YHUAXYRTMPQPSO-FPLPWBNLSA-N -1 0 348.815 3.225 20 30 EGEDRM CCCCCCCCCC(=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000793949103 1309458070 /nfs/dbraw/zinc/45/80/70/1309458070.db2.gz JRFOWRUBXPEITI-UHFFFAOYSA-N -1 0 331.420 3.447 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)n2)cc1F ZINC000794033926 1309466027 /nfs/dbraw/zinc/46/60/27/1309466027.db2.gz QEMHOGUSORZILO-UHFFFAOYSA-N -1 0 346.170 3.200 20 30 EGEDRM O=C([O-])CCOc1ccc(/C=C2\COc3cc(F)ccc3C2=O)cc1 ZINC000794727736 1309583885 /nfs/dbraw/zinc/58/38/85/1309583885.db2.gz JFLBVTVWMMEMLW-UKTHLTGXSA-N -1 0 342.322 3.338 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(C(C)(C)C#N)cc1 ZINC000796630318 1310051503 /nfs/dbraw/zinc/05/15/03/1310051503.db2.gz LHMYNENNTMOJBO-MRXNPFEDSA-N -1 0 325.412 3.117 20 30 EGEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1cnc2c(F)cccc2c1 ZINC000796748097 1310078640 /nfs/dbraw/zinc/07/86/40/1310078640.db2.gz OXFLGDBFYWWJBH-HNNXBMFYSA-N -1 0 339.370 3.145 20 30 EGEDRM C=CCC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000796999299 1310121994 /nfs/dbraw/zinc/12/19/94/1310121994.db2.gz CRLNLVHFNYOKSO-UHFFFAOYSA-N -1 0 329.487 3.453 20 30 EGEDRM C=C(Br)CNC(=O)N[C@@](C)(CCCCCC)C(=O)[O-] ZINC000797715929 1310235956 /nfs/dbraw/zinc/23/59/56/1310235956.db2.gz VMPJGBATGVMMEE-ZDUSSCGKSA-N -1 0 335.242 3.008 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)Nc1cccc(C2SCCS2)c1 ZINC000797735347 1310239351 /nfs/dbraw/zinc/23/93/51/1310239351.db2.gz IYIWJVDAVTXURE-UHFFFAOYSA-N -1 0 338.454 3.270 20 30 EGEDRM Cn1cc(-c2ccc(/C=C/C(=O)c3ccc(O)cc3[O-])s2)cn1 ZINC000800794411 1310805449 /nfs/dbraw/zinc/80/54/49/1310805449.db2.gz FYTMRRAHAZLAGL-ZZXKWVIFSA-N -1 0 326.377 3.456 20 30 EGEDRM CC[C@H](CC(F)(F)F)C(=O)OCC([O-])=C(C#N)c1nc(C)cs1 ZINC000838119955 1320731079 /nfs/dbraw/zinc/73/10/79/1320731079.db2.gz MHBZZPJENYFAKE-NXEZZACHSA-N -1 0 348.346 3.150 20 30 EGEDRM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1coc(C2CC2)n1 ZINC000802042623 1316975657 /nfs/dbraw/zinc/97/56/57/1316975657.db2.gz IDJFHVGRKIPDIP-JTQLQIEISA-N -1 0 329.743 3.167 20 30 EGEDRM Cc1oc(/C=C/C(=O)c2ccc(N3CCOCC3)cc2)cc1C(=O)[O-] ZINC000899337692 1316995207 /nfs/dbraw/zinc/99/52/07/1316995207.db2.gz DXHCQSLWEIAWTJ-VOTSOKGWSA-N -1 0 341.363 3.019 20 30 EGEDRM COc1ccc(C(=O)/C=C\c2cnn(C3CCC3)c2)cc1CC(=O)[O-] ZINC000899343010 1316996353 /nfs/dbraw/zinc/99/63/53/1316996353.db2.gz MBOKKEJNSYTYHA-ALCCZGGFSA-N -1 0 340.379 3.140 20 30 EGEDRM CCc1onc(C)c1/C=C\C(=O)c1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000899351031 1316999343 /nfs/dbraw/zinc/99/93/43/1316999343.db2.gz XIGKCJJSNNQHIS-LAUAKBEESA-N -1 0 329.352 3.293 20 30 EGEDRM COc1ccc(C(=O)[O-])cc1/C=C/C(=O)c1cnn(C(C)C)c1C ZINC000899368262 1317004787 /nfs/dbraw/zinc/00/47/87/1317004787.db2.gz GVAKOETXFPFDKA-FNORWQNLSA-N -1 0 328.368 3.375 20 30 EGEDRM C[C@H](Oc1ccc(/C=C\C(=O)c2cnn(C3CCC3)c2)cc1)C(=O)[O-] ZINC000899401242 1317019930 /nfs/dbraw/zinc/01/99/30/1317019930.db2.gz SMIISSGCYWWRLC-SZNGSJQDSA-N -1 0 340.379 3.356 20 30 EGEDRM CCCCCCCCC(=O)[N-]S(=O)(=O)CCc1scnc1C ZINC000803023546 1317071359 /nfs/dbraw/zinc/07/13/59/1317071359.db2.gz NVZOCJJVDAGFNP-UHFFFAOYSA-N -1 0 346.518 3.191 20 30 EGEDRM C#CC[C@@H](NC(=O)Nc1cccc(CSC(C)C)c1C)C(=O)[O-] ZINC000900336319 1317274825 /nfs/dbraw/zinc/27/48/25/1317274825.db2.gz RKSFFINMEIOJBF-OAHLLOKOSA-N -1 0 334.441 3.235 20 30 EGEDRM Cn1cc(/C=C2\CCc3occ(C(=O)[O-])c3C2=O)c(C(C)(C)C)n1 ZINC000901517252 1317437608 /nfs/dbraw/zinc/43/76/08/1317437608.db2.gz YTEWKFPUEJKYOL-JXMROGBWSA-N -1 0 328.368 3.221 20 30 EGEDRM O=C([O-])c1ccc2c(c1)CCC/C(=C/c1cnn(CC(F)F)c1)C2=O ZINC000901523001 1317440312 /nfs/dbraw/zinc/44/03/12/1317440312.db2.gz AXYNGROCXGPJGL-MLPAPPSSSA-N -1 0 346.333 3.449 20 30 EGEDRM C=CCOC[C@@H](NCc1cnc(-c2ccc(C)c(C)c2)s1)C(=O)[O-] ZINC000901810087 1317479473 /nfs/dbraw/zinc/47/94/73/1317479473.db2.gz IQYCTEYQUOPOMB-MRXNPFEDSA-N -1 0 346.452 3.172 20 30 EGEDRM O=C([O-])COc1cccc(/C=C2/Cc3nc(Cl)ccc3C2=O)c1 ZINC000806579888 1317505896 /nfs/dbraw/zinc/50/58/96/1317505896.db2.gz VHMMUMCWGXOWJA-WDZFZDKYSA-N -1 0 329.739 3.021 20 30 EGEDRM C=CCC[C@H](NC(=O)C(=O)[N-]OC1CCCCC1)c1ccccc1 ZINC000807663847 1317576300 /nfs/dbraw/zinc/57/63/00/1317576300.db2.gz SCDLZLXIYURQNJ-KRWDZBQOSA-N -1 0 330.428 3.191 20 30 EGEDRM CC(=NNc1ccc([N+](=O)[O-])cc1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000807990985 1317608971 /nfs/dbraw/zinc/60/89/71/1317608971.db2.gz QDBHJKFFPILSHZ-UHFFFAOYSA-N -1 0 330.300 3.353 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccnc(C(F)(F)F)c1 ZINC000808978352 1317756227 /nfs/dbraw/zinc/75/62/27/1317756227.db2.gz KWNPZYNKRFSVAV-LBPRGKRZSA-N -1 0 341.333 3.119 20 30 EGEDRM COc1ccc(OC)c(C(=O)/C=C\c2ccc(O)c(C(=O)[O-])c2)c1 ZINC000809152319 1317774858 /nfs/dbraw/zinc/77/48/58/1317774858.db2.gz PQBPQMSOSSULPH-UTCJRWHESA-N -1 0 328.320 3.004 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2ccc(OC3CCCC3)cc2)CC1 ZINC000810980445 1318085999 /nfs/dbraw/zinc/08/59/99/1318085999.db2.gz YMXGVTLZEFXFBR-UHFFFAOYSA-N -1 0 349.452 3.176 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2cc(C)c(C)cc2Cl)CC1 ZINC000810984065 1318086891 /nfs/dbraw/zinc/08/68/91/1318086891.db2.gz QQRKDWRPFBEEDD-UHFFFAOYSA-N -1 0 327.833 3.125 20 30 EGEDRM NC(=O)Cc1ccc(C/N=C/c2cc(Cl)cc(Cl)c2[O-])cc1 ZINC000811624805 1318215301 /nfs/dbraw/zinc/21/53/01/1318215301.db2.gz RNZFUFXXLGBIFI-AWQFTUOYSA-N -1 0 337.206 3.346 20 30 EGEDRM C=CCSc1ccccc1C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000908649999 1318381453 /nfs/dbraw/zinc/38/14/53/1318381453.db2.gz GTXLAOYCAGKGLL-CQSZACIVSA-N -1 0 331.437 3.292 20 30 EGEDRM Cc1nn(C)c(Cl)c1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813216032 1318515485 /nfs/dbraw/zinc/51/54/85/1318515485.db2.gz FERRNYUMWYBZNF-SECBINFHSA-N -1 0 342.708 3.286 20 30 EGEDRM CC(N=Nc1ccccc1[N+](=O)[O-])c1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000814685680 1318799003 /nfs/dbraw/zinc/79/90/03/1318799003.db2.gz LVRQYWRSIJSJMF-GFCCVEGCSA-N -1 0 343.339 3.283 20 30 EGEDRM O=C([O-])c1ccc(NN=Cc2ncc(Br)s2)cc1 ZINC000814680620 1318799863 /nfs/dbraw/zinc/79/98/63/1318799863.db2.gz ACUXRNJRSGOSJF-UHFFFAOYSA-N -1 0 326.175 3.050 20 30 EGEDRM C[C@@H]1C(=NNC(=S)Nc2ccccc2)CC[C@H](C(=O)[O-])C1(C)C ZINC000814714182 1318803581 /nfs/dbraw/zinc/80/35/81/1318803581.db2.gz VJAYVORYNWXPOM-DGCLKSJQSA-N -1 0 333.457 3.486 20 30 EGEDRM C[C@@H]1CC(N=Nc2ncnc3sc4c(c32)CCC4)CC[C@@H]1C(=O)[O-] ZINC000814725789 1318805438 /nfs/dbraw/zinc/80/54/38/1318805438.db2.gz CLIZFHJMPDWRKL-KOLCDFICSA-N -1 0 344.440 3.469 20 30 EGEDRM CC(CC1(C(=O)[O-])CCC1)=NNC(=S)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000814757136 1318810668 /nfs/dbraw/zinc/81/06/68/1318810668.db2.gz ORXAVFGMDZKRIY-FPMFFAJLSA-N -1 0 339.505 3.296 20 30 EGEDRM CC(C)(C)OC(=O)N1CC2(CC(N=Nc3ccccc3C(=O)[O-])C2)C1 ZINC000814768437 1318812413 /nfs/dbraw/zinc/81/24/13/1318812413.db2.gz BFYPPDRFJAKPOH-UHFFFAOYSA-N -1 0 345.399 3.184 20 30 EGEDRM CC(CCc1ccc(OCC(=O)[O-])cc1)N=Nc1ccc(F)cn1 ZINC000814842446 1318829854 /nfs/dbraw/zinc/82/98/54/1318829854.db2.gz IDOGLAUWUWPNQV-UHFFFAOYSA-N -1 0 331.347 3.105 20 30 EGEDRM COc1ccc(CCNN=Cc2cc(C(=O)[O-])c(C)cc2C)cc1 ZINC000814854944 1318831268 /nfs/dbraw/zinc/83/12/68/1318831268.db2.gz CYFKVYMTBSEEDO-UHFFFAOYSA-N -1 0 326.396 3.176 20 30 EGEDRM COc1ccc(CCNN=C2CC[C@H](C(=O)[O-])C(C)(C)[C@@H]2C)cc1 ZINC000814855545 1318831432 /nfs/dbraw/zinc/83/14/32/1318831432.db2.gz PGQWABREUYFRKI-CZUORRHYSA-N -1 0 332.444 3.340 20 30 EGEDRM Cc1cc(C)c(C(=O)[O-])cc1C=NNc1nc2ccccc2c(=O)[nH]1 ZINC000814869054 1318834454 /nfs/dbraw/zinc/83/44/54/1318834454.db2.gz QWWMHKDIKQFUMK-UHFFFAOYSA-N -1 0 336.351 3.096 20 30 EGEDRM C[C@@H]1C[C@@H](C(=O)[O-])CCC1N=Nc1ccnc(Br)c1 ZINC000814904680 1318843925 /nfs/dbraw/zinc/84/39/25/1318843925.db2.gz UNQYEVMSDHEXFN-BDAKNGLRSA-N -1 0 326.194 3.133 20 30 EGEDRM CCC(N=Nc1cnn(C)c1)c1ccc(OCCCCC(=O)[O-])cc1 ZINC000814914464 1318847834 /nfs/dbraw/zinc/84/78/34/1318847834.db2.gz BMJPGQZVZHPBDO-UHFFFAOYSA-N -1 0 344.415 3.280 20 30 EGEDRM CC[C@H](NN=C(C)c1sc(Cc2ccccc2)nc1C)C(=O)[O-] ZINC000814936694 1318854223 /nfs/dbraw/zinc/85/42/23/1318854223.db2.gz GGOHJFZQSALXKQ-AWEZNQCLSA-N -1 0 331.441 3.219 20 30 EGEDRM COC[C@@](C)(C#N)[N-]C(=O)C(F)(F)c1cc(Cl)ccc1Cl ZINC000817440164 1319362551 /nfs/dbraw/zinc/36/25/51/1319362551.db2.gz HXXJZCDVECPHBY-GFCCVEGCSA-N -1 0 337.153 3.130 20 30 EGEDRM C[C@@H](C/N=C\c1cc([N+](=O)[O-])ccc1[O-])N1CCc2ccccc21 ZINC000914701152 1319365639 /nfs/dbraw/zinc/36/56/39/1319365639.db2.gz BBEURSHOACLRLY-QXGSTRBFSA-N -1 0 325.368 3.171 20 30 EGEDRM Cc1c(C(=O)[O-])oc2c1C(=NNCc1cc(F)ccc1F)CCC2 ZINC000915979057 1319578433 /nfs/dbraw/zinc/57/84/33/1319578433.db2.gz NWYJZVIXSJCYOW-UHFFFAOYSA-N -1 0 334.322 3.395 20 30 EGEDRM COc1cc(/C=C\C(=O)c2ccc(CC(=O)[O-])cc2)cc(OC)c1 ZINC000915989646 1319580841 /nfs/dbraw/zinc/58/08/41/1319580841.db2.gz BFEUPQXISFDAAB-YVMONPNESA-N -1 0 326.348 3.227 20 30 EGEDRM COc1ccc(C=NNc2cccc(C(=O)[O-])c2)cc1OC(F)F ZINC000916255399 1319626511 /nfs/dbraw/zinc/62/65/11/1319626511.db2.gz YFTZPKQHUHIVNQ-UHFFFAOYSA-N -1 0 336.294 3.441 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(OC(C)C)cc1 ZINC000916872884 1319717277 /nfs/dbraw/zinc/71/72/77/1319717277.db2.gz LBSKWPARQIQWRW-KRWDZBQOSA-N -1 0 330.428 3.493 20 30 EGEDRM N#CC(C(=O)NC1CC1)=C([O-])c1ccc(Oc2ccc(F)cc2)cc1 ZINC000916926788 1319725638 /nfs/dbraw/zinc/72/56/38/1319725638.db2.gz WXQSYEFDQMDKAQ-KRWDZBQOSA-N -1 0 338.338 3.219 20 30 EGEDRM CCCCCCC[C@@H](C)CNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000918381477 1319947876 /nfs/dbraw/zinc/94/78/76/1319947876.db2.gz ZFPWKKSRSWGSIV-GFCCVEGCSA-N -1 0 346.431 3.162 20 30 EGEDRM Cc1nc(C2CC2)ccc1C([O-])=C(C#N)C(=O)NC1CCCCC1 ZINC000821620056 1320023272 /nfs/dbraw/zinc/02/32/72/1320023272.db2.gz WNIVIEZVKRQJTP-INIZCTEOSA-N -1 0 325.412 3.039 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)Nc1cc(Cl)c(OCC)c(Cl)c1 ZINC000837297348 1320594123 /nfs/dbraw/zinc/59/41/23/1320594123.db2.gz YXYDUWBACHJNRR-UHFFFAOYSA-N -1 0 347.198 3.497 20 30 EGEDRM COC(=O)Cc1ccc(N=NC(C)[C@@H]2C[C@H](CC(=O)[O-])C2(C)C)cc1 ZINC000844606577 1321625642 /nfs/dbraw/zinc/62/56/42/1321625642.db2.gz YMDTZCZXLJDJTE-ZBFHGGJFSA-N -1 0 346.427 3.327 20 30 EGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)C[C@@H](C)n1ccnc1 ZINC000845437414 1321707266 /nfs/dbraw/zinc/70/72/66/1321707266.db2.gz ILKMVMPJJRRZRJ-DOMZBBRYSA-N -1 0 334.379 3.216 20 30 EGEDRM Cc1nc(-c2ccccc2F)sc1C([O-])=C(C#N)C(=O)NC(C)C ZINC000845442601 1321708051 /nfs/dbraw/zinc/70/80/51/1321708051.db2.gz GSSDDNLCLCALPR-GFCCVEGCSA-N -1 0 345.399 3.105 20 30 EGEDRM C[C@H](OC(=O)c1ccc([O-])c(Cl)c1)C(=O)Nc1ccccc1C#N ZINC000848950349 1322049938 /nfs/dbraw/zinc/04/99/38/1322049938.db2.gz IIFNKPYKWALERR-JTQLQIEISA-N -1 0 344.754 3.101 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cnn2cccc(Cl)c12 ZINC000850751497 1322284802 /nfs/dbraw/zinc/28/48/02/1322284802.db2.gz CJXKBWHFHVYYNB-LBPRGKRZSA-N -1 0 346.818 3.007 20 30 EGEDRM CCCCCCCC[C@@H](C)C(=O)[N-]S(=O)(=O)CC1(C#N)CC1 ZINC000850940675 1322313993 /nfs/dbraw/zinc/31/39/93/1322313993.db2.gz ODVSWPXGIIHHGY-CQSZACIVSA-N -1 0 328.478 3.123 20 30 EGEDRM N#CC[C@H]1CCCN(Cc2cc(=O)oc3cc([O-])c(Cl)cc23)C1 ZINC000852319391 1323178887 /nfs/dbraw/zinc/17/88/87/1323178887.db2.gz LRQVZDSDBLAZGE-LLVKDONJSA-N -1 0 332.787 3.278 20 30 EGEDRM CSc1cc(C)c(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)o1 ZINC000853118048 1325050598 /nfs/dbraw/zinc/05/05/98/1325050598.db2.gz DBAAGFYEVIYDOC-CQSZACIVSA-N -1 0 342.420 3.257 20 30 EGEDRM COc1cc(C=NNCc2ccccc2Cl)cc([N+](=O)[O-])c1[O-] ZINC000864028822 1329594325 /nfs/dbraw/zinc/59/43/25/1329594325.db2.gz FZYKQURTZJJDDX-UHFFFAOYSA-N -1 0 335.747 3.086 20 30 EGEDRM COc1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc1C(C)(C)C ZINC000865213511 1329676316 /nfs/dbraw/zinc/67/63/16/1329676316.db2.gz BBFYWCFSJYQKKE-POZKEBTKSA-N -1 0 342.391 3.221 20 30 EGEDRM CCCCCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1ccccc1C#N ZINC001322941107 1387254444 /nfs/dbraw/zinc/25/44/44/1387254444.db2.gz GOBQYNPFBXIKET-AWEZNQCLSA-N -1 0 336.457 3.360 20 30 EGEDRM CC(C)(C[N-]C(=O)C(F)(F)OCC(F)(F)F)CC(F)(F)F ZINC001183197017 1387276811 /nfs/dbraw/zinc/27/68/11/1387276811.db2.gz AZYBLPSYKUUYSF-UHFFFAOYSA-N -1 0 331.203 3.253 20 30 EGEDRM O=C([N-][C@H]1CCc2c1c(F)ccc2F)C(F)(F)OCC(F)(F)F ZINC001183197584 1387276835 /nfs/dbraw/zinc/27/68/35/1387276835.db2.gz MQYIENAHTSWPOT-VIFPVBQESA-N -1 0 345.214 3.240 20 30 EGEDRM O=C(CCC(=O)C1=CC=C[CH]1)Nc1cnnc2ccc(Cl)cc21 ZINC001184240614 1387418544 /nfs/dbraw/zinc/41/85/44/1387418544.db2.gz CUGSRQPWWRTRPO-UHFFFAOYSA-N -1 0 326.763 3.271 20 30 EGEDRM Cc1ncc(NC(=O)CCC(=O)C2=CC=C[CH]2)cc1Br ZINC001184241728 1387418653 /nfs/dbraw/zinc/41/86/53/1387418653.db2.gz YSPNYCSYAJJQEI-UHFFFAOYSA-N -1 0 334.193 3.141 20 30 EGEDRM O=C(CCC(=O)C1=CC=C[CH]1)N[C@H](c1ccccc1)c1ccncc1 ZINC001184243267 1387418675 /nfs/dbraw/zinc/41/86/75/1387418675.db2.gz BDYJVKFZXQSIBS-OAQYLSRUSA-N -1 0 331.395 3.337 20 30 EGEDRM O=C(CCC(=O)C1=CC=C[CH]1)Nc1ccc(OC2CCOCC2)cc1 ZINC001184245701 1387419379 /nfs/dbraw/zinc/41/93/79/1387419379.db2.gz XEZDRLHVTBXFFB-UHFFFAOYSA-N -1 0 340.399 3.233 20 30 EGEDRM O=C(CCC(=O)C1=CC=C[CH]1)Nc1ccc(O)cc1Br ZINC001184245746 1387419396 /nfs/dbraw/zinc/41/93/96/1387419396.db2.gz ZTZPMCNKPYUUJY-UHFFFAOYSA-N -1 0 335.177 3.143 20 30 EGEDRM N#CCc1ccc(S(=O)(=O)[N-]c2noc3cc(Cl)ccc32)cc1 ZINC001324125978 1387545195 /nfs/dbraw/zinc/54/51/95/1387545195.db2.gz SGROMPIJIQGPHX-UHFFFAOYSA-N -1 0 347.783 3.348 20 30 EGEDRM N#Cc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(-c2cnco2)cc1 ZINC001185220588 1387655301 /nfs/dbraw/zinc/65/53/01/1387655301.db2.gz BYRBIYGXVKTBQB-UHFFFAOYSA-N -1 0 343.339 3.153 20 30 EGEDRM N#Cc1ccc2c(c1)CCN(C(=O)C=C([O-])c1ccccc1Cl)C2 ZINC001185425527 1387713250 /nfs/dbraw/zinc/71/32/50/1387713250.db2.gz ADCZZOKLZCDVGS-UHFFFAOYSA-N -1 0 338.794 3.369 20 30 EGEDRM Cc1cnc([N-]S(=O)(=O)c2ccc(F)c3ccccc32)c(C#N)c1 ZINC001189354173 1367000664 /nfs/dbraw/zinc/00/06/64/1367000664.db2.gz FLSCYZVYUIEODU-UHFFFAOYSA-N -1 0 341.367 3.355 20 30 EGEDRM N#Cc1ccc(F)c(F)c1[N-]S(=O)(=O)Cc1cccc(F)c1F ZINC001189464183 1367030812 /nfs/dbraw/zinc/03/08/12/1367030812.db2.gz XXYWIFKVYKIYNL-UHFFFAOYSA-N -1 0 344.289 3.057 20 30 EGEDRM N#Cc1ccc(F)c(F)c1[N-]S(=O)(=O)Cc1cc(F)ccc1F ZINC001189697220 1367089061 /nfs/dbraw/zinc/08/90/61/1367089061.db2.gz OLLFJJPAFJEVJM-UHFFFAOYSA-N -1 0 344.289 3.057 20 30 EGEDRM N#Cc1cc(NC(=O)Nc2c(F)cc(F)cc2F)c([O-])cc1F ZINC001186064619 1387857850 /nfs/dbraw/zinc/85/78/50/1387857850.db2.gz HBJAHUYRTPXBDQ-UHFFFAOYSA-N -1 0 325.221 3.464 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2F)c(F)c1F ZINC001190390330 1367249806 /nfs/dbraw/zinc/24/98/06/1367249806.db2.gz LGJDUXANZALPSM-UHFFFAOYSA-N -1 0 348.252 3.055 20 30 EGEDRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2cncc(C#N)c2)cc1 ZINC001190422950 1367261672 /nfs/dbraw/zinc/26/16/72/1367261672.db2.gz ADQTVQULQBTYOV-UHFFFAOYSA-N -1 0 329.425 3.442 20 30 EGEDRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2oc(C)nc2C#N)cc1 ZINC001190431757 1367263709 /nfs/dbraw/zinc/26/37/09/1367263709.db2.gz NDTRKPGQYDZAAT-UHFFFAOYSA-N -1 0 333.413 3.343 20 30 EGEDRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccsc2C#N)c1 ZINC001191154368 1367434800 /nfs/dbraw/zinc/43/48/00/1367434800.db2.gz YSBFBXAPKCSPCK-UHFFFAOYSA-N -1 0 329.406 3.277 20 30 EGEDRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2cc(C)ccc2C#N)c1 ZINC001192763826 1367869981 /nfs/dbraw/zinc/86/99/81/1367869981.db2.gz SNATYQULFXDHPL-UHFFFAOYSA-N -1 0 330.409 3.239 20 30 EGEDRM N#Cc1c(F)c(Cl)ccc1[N-]S(=O)(=O)c1cnccc1Cl ZINC001192900377 1367900378 /nfs/dbraw/zinc/90/03/78/1367900378.db2.gz IMXSWQLLUHKFKL-UHFFFAOYSA-N -1 0 346.170 3.200 20 30 EGEDRM N#CCS(=O)(=O)[N-]c1ccc(-c2nc3ccccc3s2)cc1 ZINC001192972132 1367914298 /nfs/dbraw/zinc/91/42/98/1367914298.db2.gz MTGMATMHHTWNHO-UHFFFAOYSA-N -1 0 329.406 3.229 20 30 EGEDRM Cc1ccccc1-c1cc(NC(=O)c2cccc(C#N)c2[O-])n(C)n1 ZINC001193643148 1368081301 /nfs/dbraw/zinc/08/13/01/1368081301.db2.gz XUYHJFCFXMAGGQ-UHFFFAOYSA-N -1 0 332.363 3.225 20 30 EGEDRM N#CCCN(Cc1ccc(Cl)cc1)C(=O)c1cccc(C#N)c1[O-] ZINC001193647042 1368083294 /nfs/dbraw/zinc/08/32/94/1368083294.db2.gz UASFIBVQQOLCJQ-UHFFFAOYSA-N -1 0 339.782 3.473 20 30 EGEDRM CCN(C(=O)c1ccc(C#N)cc1[O-])[C@@H](C)Cc1ccc(OC)cc1 ZINC001195733154 1368479313 /nfs/dbraw/zinc/47/93/13/1368479313.db2.gz AZISGNUYLDSPBR-AWEZNQCLSA-N -1 0 338.407 3.366 20 30 EGEDRM N#Cc1ccc(C(=O)NCCC(C(F)(F)F)C(F)(F)F)c([O-])c1 ZINC001195767844 1368485645 /nfs/dbraw/zinc/48/56/45/1368485645.db2.gz ASKCAJJBFQMHFE-UHFFFAOYSA-N -1 0 340.223 3.125 20 30 EGEDRM Cc1c(Cl)c(C#N)ccc1[N-]S(=O)(=O)c1ccc(Cl)cn1 ZINC001196246933 1368576328 /nfs/dbraw/zinc/57/63/28/1368576328.db2.gz USXDIKDPAAHPOD-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM C=CCCNS(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC001196834108 1368694449 /nfs/dbraw/zinc/69/44/49/1368694449.db2.gz GIVQNHOHMCVTIY-UHFFFAOYSA-N -1 0 342.617 3.096 20 30 EGEDRM Cc1sc([N-]S(=O)(=O)Cc2c(F)cccc2F)c(C#N)c1C ZINC001197565164 1368841266 /nfs/dbraw/zinc/84/12/66/1368841266.db2.gz VVFQOGGYZDYPAX-UHFFFAOYSA-N -1 0 342.392 3.457 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2sc3c(c2C#N)CCC3)cc1C#N ZINC001201293213 1369512321 /nfs/dbraw/zinc/51/23/21/1369512321.db2.gz TUWZGIKQGRPMRE-UHFFFAOYSA-N -1 0 343.433 3.089 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2cncc(C(C)(C)C)c2)cc1C#N ZINC001201296260 1369512888 /nfs/dbraw/zinc/51/28/88/1369512888.db2.gz FWCSINMNFYDICY-UHFFFAOYSA-N -1 0 329.425 3.360 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(F)c2C#N)cc1C#N ZINC001201322565 1369520199 /nfs/dbraw/zinc/52/01/99/1369520199.db2.gz ORJNIEDZAIZYSN-UHFFFAOYSA-N -1 0 349.774 3.332 20 30 EGEDRM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2cc(F)cnc2C#N)c(C)c1C ZINC001201795738 1369625512 /nfs/dbraw/zinc/62/55/12/1369625512.db2.gz YKDBMSYLLMYGNO-UHFFFAOYSA-N -1 0 347.415 3.435 20 30 EGEDRM Cc1cc(NC(=O)c2ccc(C#N)c([O-])c2)n(-c2ccc(C)cc2)n1 ZINC001116718530 1370961687 /nfs/dbraw/zinc/96/16/87/1370961687.db2.gz GZIFWNHAUPASMP-UHFFFAOYSA-N -1 0 332.363 3.319 20 30 EGEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccn(C2CCCCC2)n1 ZINC001116795989 1370976111 /nfs/dbraw/zinc/97/61/11/1370976111.db2.gz QWSWZEQMDRYGEM-UHFFFAOYSA-N -1 0 344.440 3.369 20 30 EGEDRM CC1(C)CCc2sc([N-]S(=O)(=O)c3ccc(CC#N)cc3)nc21 ZINC001326217651 1388128778 /nfs/dbraw/zinc/12/87/78/1388128778.db2.gz HOCZXIATZUBRKF-UHFFFAOYSA-N -1 0 347.465 3.234 20 30 EGEDRM COC(=O)c1cc(C#N)cc(C)c1Nc1cc(C(=O)[O-])ccc1OC ZINC001210261373 1372308417 /nfs/dbraw/zinc/30/84/17/1372308417.db2.gz ZYQGDIPNTQETCQ-UHFFFAOYSA-N -1 0 340.335 3.104 20 30 EGEDRM N#Cc1cc(Nc2ccc3c(cccc3S(=O)(=O)[O-])c2)ccc1O ZINC001210533078 1372373256 /nfs/dbraw/zinc/37/32/56/1372373256.db2.gz UBQJDNXMQUTYSW-UHFFFAOYSA-N -1 0 340.360 3.407 20 30 EGEDRM CCCCCCCCS(=O)(=O)[N-]c1scc(C)c1C(N)=O ZINC001187994054 1388207689 /nfs/dbraw/zinc/20/76/89/1388207689.db2.gz AVXLOTYHVJWFAB-UHFFFAOYSA-N -1 0 332.491 3.258 20 30 EGEDRM COC(=O)c1scc(C#N)c1Nc1ccc(F)c(C(=O)[O-])c1F ZINC001215269777 1373192869 /nfs/dbraw/zinc/19/28/69/1373192869.db2.gz DLDFYJXGRJGJRV-UHFFFAOYSA-N -1 0 338.291 3.126 20 30 EGEDRM COC(=O)c1cc(C#N)ccc1Nc1c(F)cc(C(=O)[O-])cc1F ZINC001215614443 1373217704 /nfs/dbraw/zinc/21/77/04/1373217704.db2.gz GPVLFWASFOBHSZ-UHFFFAOYSA-N -1 0 332.262 3.065 20 30 EGEDRM N#Cc1cc(F)cc(-c2noc(-c3cc([O-])c(F)cc3[N+](=O)[O-])n2)c1 ZINC001216950970 1373369510 /nfs/dbraw/zinc/36/95/10/1373369510.db2.gz KOIVAOZGNXZINR-UHFFFAOYSA-N -1 0 344.233 3.167 20 30 EGEDRM N#Cc1cccc(-c2nc(-c3cncc(Br)c3)no2)c1[O-] ZINC001216979972 1373374430 /nfs/dbraw/zinc/37/44/30/1373374430.db2.gz NQRSTKYSNHJFJJ-UHFFFAOYSA-N -1 0 343.140 3.138 20 30 EGEDRM N#Cc1ccc(F)c(-c2noc(-c3cc(O)c([O-])c(Cl)c3)n2)c1 ZINC001216978344 1373374488 /nfs/dbraw/zinc/37/44/88/1373374488.db2.gz YJHXHMNQAFMHGW-UHFFFAOYSA-N -1 0 331.690 3.479 20 30 EGEDRM COc1c(F)cc(F)cc1-c1noc(-c2cccc(C#N)c2[O-])n1 ZINC001216979625 1373374579 /nfs/dbraw/zinc/37/45/79/1373374579.db2.gz FIETYBWLSRXBBZ-UHFFFAOYSA-N -1 0 329.262 3.268 20 30 EGEDRM N#Cc1cccc(-c2nc(-c3ccc(C(F)(F)F)nc3)no2)c1[O-] ZINC001216979602 1373374991 /nfs/dbraw/zinc/37/49/91/1373374991.db2.gz DGISJVGFNPTNKC-UHFFFAOYSA-N -1 0 332.241 3.395 20 30 EGEDRM CCOC(=O)c1cc(C#N)c(C)nc1-c1c(F)cc(C(=O)[O-])cc1F ZINC001222380348 1373831137 /nfs/dbraw/zinc/83/11/37/1373831137.db2.gz UZVIUGWACGUQNH-UHFFFAOYSA-N -1 0 346.289 3.082 20 30 EGEDRM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1cccc(C#N)n1 ZINC001326984652 1388361093 /nfs/dbraw/zinc/36/10/93/1388361093.db2.gz OLNRBDWASKERAY-UHFFFAOYSA-N -1 0 329.425 3.360 20 30 EGEDRM COc1ccccc1[C@H](Oc1[n-]c(=O)c(F)cc1C#N)C(F)(F)F ZINC001226008771 1375189708 /nfs/dbraw/zinc/18/97/08/1375189708.db2.gz MHUQNIQIXWDEGA-LBPRGKRZSA-N -1 0 342.248 3.489 20 30 EGEDRM Cc1cn2c(n1)[C@H](Oc1[n-]c(=O)cc(C(F)(F)F)c1C#N)CCC2 ZINC001226066400 1375198354 /nfs/dbraw/zinc/19/83/54/1375198354.db2.gz ASKBQVYWJPZFDJ-LLVKDONJSA-N -1 0 338.289 3.097 20 30 EGEDRM C=CC[C@H](CCCC)Oc1c(C(=O)OCC)c[nH]c(=O)c1[N+](=O)[O-] ZINC001226323721 1375240569 /nfs/dbraw/zinc/24/05/69/1375240569.db2.gz GXUOXMKULYTBBI-LLVKDONJSA-N -1 0 338.360 3.386 20 30 EGEDRM C#C[C@H](Oc1ccc(O)cc1S(=O)(=O)[O-])[C@H](CC)CCCC ZINC001226411926 1375255399 /nfs/dbraw/zinc/25/53/99/1375255399.db2.gz AIUSLMCDGJZPLH-OCCSQVGLSA-N -1 0 326.414 3.236 20 30 EGEDRM CCC1=C(Oc2c(O)cc(Br)cc2F)C(=O)[C@@H](C)O1 ZINC001227588137 1375448372 /nfs/dbraw/zinc/44/83/72/1375448372.db2.gz PGNCJKHHNFRXBY-ZCFIWIBFSA-N -1 0 331.137 3.282 20 30 EGEDRM N#Cc1c(O)ccc(OC(=C([O-])c2ccco2)c2ccco2)c1C#N ZINC001227618610 1375454703 /nfs/dbraw/zinc/45/47/03/1375454703.db2.gz MUOKNEXYTXXMJM-SFHVURJKSA-N -1 0 334.287 3.325 20 30 EGEDRM COC(=O)c1cnc(O[C@H](C#Cc2ccccc2)c2ccccc2)[n-]1 ZINC001230281762 1375982555 /nfs/dbraw/zinc/98/25/55/1375982555.db2.gz GTPKEJKMZVQOKL-GOSISDBHSA-N -1 0 332.359 3.368 20 30 EGEDRM N#Cc1ccc([O-])c(CN2CCc3ncc(C(F)(F)F)cc3C2)c1 ZINC001232679178 1376500768 /nfs/dbraw/zinc/50/07/68/1376500768.db2.gz FXXZRNCRBCXYFU-UHFFFAOYSA-N -1 0 333.313 3.236 20 30 EGEDRM N#C[C@H](c1ccc(-c2cncc(C(=O)[O-])c2)nn1)c1ccccc1F ZINC001241799815 1377020369 /nfs/dbraw/zinc/02/03/69/1377020369.db2.gz FGAZLBJMWSCROC-AWEZNQCLSA-N -1 0 334.310 3.031 20 30 EGEDRM CC(=O)C=C(C)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)nc1 ZINC001163737989 1383116854 /nfs/dbraw/zinc/11/68/54/1383116854.db2.gz OBKSGOUTVXFTCB-RAXLEYEMSA-N -1 0 345.424 3.096 20 30 EGEDRM N#CC12CCC(Nc3cc(C(F)(F)F)c(C(=O)[O-])nn3)(CC1)CC2 ZINC001169747849 1384181949 /nfs/dbraw/zinc/18/19/49/1384181949.db2.gz GYYZTVAVLQMQGS-UHFFFAOYSA-N -1 0 340.305 3.222 20 30 EGEDRM COC(=O)c1sc(Nc2ccc(C(=O)[O-])cc2OC)c(C#N)c1C ZINC001174671554 1385132139 /nfs/dbraw/zinc/13/21/39/1385132139.db2.gz YQPGEEDAYJZUHL-UHFFFAOYSA-N -1 0 346.364 3.165 20 30 EGEDRM COc1cc(Nc2ccc(C#N)nc2Br)ccc1C(=O)[O-] ZINC001174681754 1385133958 /nfs/dbraw/zinc/13/39/58/1385133958.db2.gz ZKUJLNCJDWZEJQ-UHFFFAOYSA-N -1 0 348.156 3.166 20 30 EGEDRM COC(=O)c1sc(Nc2ccc(F)c(C(=O)[O-])c2)c(C#N)c1C ZINC001175215883 1385222450 /nfs/dbraw/zinc/22/24/50/1385222450.db2.gz UHJJVWQZDRSWQA-UHFFFAOYSA-N -1 0 334.328 3.296 20 30 EGEDRM CNC(=O)c1cc(C#N)cc(C)c1Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001175322505 1385252488 /nfs/dbraw/zinc/25/24/88/1385252488.db2.gz XOTLDONGOXUITJ-UHFFFAOYSA-N -1 0 343.770 3.322 20 30 EGEDRM C=CCn1cc(Nc2ccc3ccccc3c2S(=O)(=O)[O-])cn1 ZINC001176548465 1385621727 /nfs/dbraw/zinc/62/17/27/1385621727.db2.gz CYVUTPHCWLGKSL-UHFFFAOYSA-N -1 0 329.381 3.213 20 30 EGEDRM N#CCOc1ccc(NCc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC001320522300 1386636644 /nfs/dbraw/zinc/63/66/44/1386636644.db2.gz IVRDNWPDMZCRIX-UHFFFAOYSA-N -1 0 333.731 3.468 20 30 EGEDRM C=CC[C@@H](NC(=O)NCCc1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC001321111322 1386812319 /nfs/dbraw/zinc/81/23/19/1386812319.db2.gz QNZHERAEADDJRD-GOSISDBHSA-N -1 0 338.407 3.225 20 30 EGEDRM C=CC[C@@H](NC(=O)NC[C@@H](C)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC001321145656 1386821620 /nfs/dbraw/zinc/82/16/20/1386821620.db2.gz XMQJEKYFSDOSBW-BXKDBHETSA-N -1 0 345.226 3.425 20 30 EGEDRM C=CC[C@@H](NC(=O)[C@H](C)Cc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC001322603057 1387212436 /nfs/dbraw/zinc/21/24/36/1387212436.db2.gz VSGIEEXXFJUAHW-ZWNOBZJWSA-N -1 0 329.318 3.030 20 30 EGEDRM N#CC(=C([O-])c1cc(F)cc(Cl)c1)c1nc(N)c2ccccc2n1 ZINC001341785667 1390529626 /nfs/dbraw/zinc/52/96/26/1390529626.db2.gz MCPRTRISEUWRSE-ZDUSSCGKSA-N -1 0 340.745 3.495 20 30 EGEDRM CC(C)NC(=O)C(C#N)=C([O-])c1nc(-c2ccccc2)oc1C(C)C ZINC001342539979 1390623977 /nfs/dbraw/zinc/62/39/77/1390623977.db2.gz WVGZAKBSNLRMNU-CQSZACIVSA-N -1 0 339.395 3.312 20 30 EGEDRM Cc1ccc(Br)c(C([O-])=C(C#N)c2cc(C)nc(C)n2)n1 ZINC001342701582 1390643072 /nfs/dbraw/zinc/64/30/72/1390643072.db2.gz ZUPYANKJYTUPJL-NSHDSACASA-N -1 0 345.200 3.049 20 30 EGEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1ccc(Cl)c2occc21 ZINC001342779501 1390653388 /nfs/dbraw/zinc/65/33/88/1390653388.db2.gz RTPOETNCMNQJLI-CYBMUJFWSA-N -1 0 330.771 3.467 20 30 EGEDRM CC[C@@H](NN=C1CCc2c1cc(Cl)cc2Br)C(=O)[O-] ZINC001343773528 1390736144 /nfs/dbraw/zinc/73/61/44/1390736144.db2.gz JPYRIPGEJJUYQD-LLVKDONJSA-N -1 0 345.624 3.206 20 30 EGEDRM C=CC[C@@H](NC(=O)CCc1nc2cc(Cl)ccc2s1)C(=O)[O-] ZINC001344557277 1390799427 /nfs/dbraw/zinc/79/94/27/1390799427.db2.gz UJOPUEBSRQCNIP-SNVBAGLBSA-N -1 0 338.816 3.028 20 30 EGEDRM CCn1nc(C2CC2)cc1C([O-])=C(C#N)c1cnc2ccccc2n1 ZINC001344581295 1390800847 /nfs/dbraw/zinc/80/08/47/1390800847.db2.gz XGLXQCHHCWXFMT-CYBMUJFWSA-N -1 0 331.379 3.214 20 30 EGEDRM CNC(=O)Nc1cccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)c1 ZINC001346269444 1390918916 /nfs/dbraw/zinc/91/89/16/1390918916.db2.gz KFWYIPJHEFVVIA-CYBMUJFWSA-N -1 0 340.408 3.262 20 30 EGEDRM N#Cc1c(F)cccc1N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826382926 1428865095 /nfs/dbraw/zinc/86/50/95/1428865095.db2.gz BAEDLZWBMJLGCX-UHFFFAOYSA-N -1 0 346.369 3.171 20 30 EGEDRM N#Cc1ccccc1SCc1cn2ccccc2c1-c1nn[n-]n1 ZINC000822842618 1429216510 /nfs/dbraw/zinc/21/65/10/1429216510.db2.gz QRLLUYBDVWLUEB-UHFFFAOYSA-N -1 0 332.392 3.283 20 30 EGEDRM Cc1cc(CN=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)ccc1F ZINC000737263912 1429390233 /nfs/dbraw/zinc/39/02/33/1429390233.db2.gz XRDRZWTWSYZANX-UHFFFAOYSA-N -1 0 343.366 3.046 20 30 EGEDRM COc1ccc(CNc2ccc(C#N)c(Cl)c2)cc1-c1nn[n-]n1 ZINC000826204075 1429481338 /nfs/dbraw/zinc/48/13/38/1429481338.db2.gz WCPJNJHZFGGPQQ-UHFFFAOYSA-N -1 0 340.774 3.012 20 30 EGEDRM Cc1ccsc1C(C)N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000823958603 1429493752 /nfs/dbraw/zinc/49/37/52/1429493752.db2.gz SHEGHTQSJQLMDL-UHFFFAOYSA-N -1 0 333.808 3.121 20 30 EGEDRM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(F)cc1F ZINC000826401445 1424332419 /nfs/dbraw/zinc/33/24/19/1424332419.db2.gz YZMXIBUXNMJUCY-QHHAFSJGSA-N -1 0 330.269 3.180 20 30 EGEDRM C=CCNc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000819751046 1426115369 /nfs/dbraw/zinc/11/53/69/1426115369.db2.gz NGJSQFNSGUEFNX-UHFFFAOYSA-N -1 0 325.347 3.183 20 30 EGEDRM C=CCNc1nnc(S[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000735433004 1426658829 /nfs/dbraw/zinc/65/88/29/1426658829.db2.gz XYZMECYMKFITHW-VIFPVBQESA-N -1 0 345.457 3.169 20 30 EGEDRM COc1ccc(C=C2CCCc3ccccc3C2=O)cc1-c1nn[n-]n1 ZINC000737082177 1426668354 /nfs/dbraw/zinc/66/83/54/1426668354.db2.gz IVBJRGKHLCSVBH-PTNGSMBKSA-N -1 0 346.390 3.478 20 30 EGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H](C)[C@@H](C)CC ZINC000823909740 1426734052 /nfs/dbraw/zinc/73/40/52/1426734052.db2.gz PEZONHMOJIJAIJ-UONOGXRCSA-N -1 0 327.432 3.064 20 30 EGEDRM Cc1ccc(F)c(C(C)N=Nc2oc(C(C)C)nc2-c2nn[n-]n2)c1 ZINC000823963072 1426748385 /nfs/dbraw/zinc/74/83/85/1426748385.db2.gz UXQJVJOSPJUDEH-UHFFFAOYSA-N -1 0 343.366 3.262 20 30 EGEDRM CC(N=Nc1cccc(-c2nn[n-]n2)c1)c1nc2c(s1)CCCC2 ZINC000823962895 1427069974 /nfs/dbraw/zinc/06/99/74/1427069974.db2.gz QTRUNBMHQFHFBX-UHFFFAOYSA-N -1 0 339.428 3.038 20 30 EGEDRM Cc1ccsc1C=CC(=O)c1c(C)n2c(c1-c1nn[n-]n1)CCC2 ZINC000737443024 1427405061 /nfs/dbraw/zinc/40/50/61/1427405061.db2.gz SVOAKBYPVDVEGU-WAYWQWQTSA-N -1 0 339.424 3.189 20 30 EGEDRM FC(F)(F)c1cccc(NN=Cc2ccc(-c3nn[n-]n3)s2)c1 ZINC000822728335 1428061137 /nfs/dbraw/zinc/06/11/37/1428061137.db2.gz HOYYMGQQXOPBTQ-UHFFFAOYSA-N -1 0 338.318 3.393 20 30 EGEDRM Fc1cc(-c2nn[n-]n2)ccc1C=NNc1ccc(OC(F)F)cc1 ZINC000822741481 1430125966 /nfs/dbraw/zinc/12/59/66/1430125966.db2.gz XLYLRQPXYHTJQX-UHFFFAOYSA-N -1 0 348.288 3.053 20 30 EGEDRM O=C1C(=Cc2nc(Cl)cs2)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000826477093 1441457386 /nfs/dbraw/zinc/45/73/86/1441457386.db2.gz VNVXTHZASUNNRX-RMKNXTFCSA-N -1 0 343.799 3.189 20 30 EGEDRM COc1ccsc1C=C1CCc2cc(-c3nn[n-]n3)ccc2C1=O ZINC000821910729 1442330870 /nfs/dbraw/zinc/33/08/70/1442330870.db2.gz GCGRJCZVBFMCEY-LUAWRHEFSA-N -1 0 338.392 3.149 20 30 EGEDRM C=C(CC)CNc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000823877874 1443165471 /nfs/dbraw/zinc/16/54/71/1443165471.db2.gz JIRFMXOJWOAMTJ-UHFFFAOYSA-N -1 0 329.795 3.084 20 30 EGEDRM C[C@H](Nc1snc(Cl)c1-c1nn[n-]n1)c1cccc(C#N)c1 ZINC000820462247 1443174820 /nfs/dbraw/zinc/17/48/20/1443174820.db2.gz WFULMNINUQEXGR-ZETCQYMHSA-N -1 0 331.792 3.021 20 30 EGEDRM C=CCC(CC=C)C(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000823888379 1443348189 /nfs/dbraw/zinc/34/81/89/1443348189.db2.gz KTLYRTSAJHAEAH-UHFFFAOYSA-N -1 0 332.791 3.332 20 30 EGEDRM CC1(C)Cc2cccc(C=CC(=O)c3ccc(-c4nn[n-]n4)cc3)c2O1 ZINC000736212795 1443358869 /nfs/dbraw/zinc/35/88/69/1443358869.db2.gz AXKOFPCITJMMLO-ZHACJKMWSA-N -1 0 346.390 3.476 20 30 EGEDRM CC(N=Nc1ccc(-c2nn[n-]n2)cc1)c1nc2c(s1)CCCC2 ZINC000823958573 1443383368 /nfs/dbraw/zinc/38/33/68/1443383368.db2.gz RELCZHWSHOWUDL-UHFFFAOYSA-N -1 0 339.428 3.038 20 30 EGEDRM Cc1cccc(C(C)N=Nc2oc(C(C)C)nc2-c2nn[n-]n2)c1C ZINC000735450929 1443873917 /nfs/dbraw/zinc/87/39/17/1443873917.db2.gz KRZJRQTZPLSWEH-UHFFFAOYSA-N -1 0 339.403 3.431 20 30 EGEDRM CCOc1ccccc1C=C1CCc2cc(-c3nn[n-]n3)ccc2C1=O ZINC000821431061 1443915082 /nfs/dbraw/zinc/91/50/82/1443915082.db2.gz KQRKGPWQSXLNND-NTCAYCPXSA-N -1 0 346.390 3.478 20 30 EGEDRM CCOc1cccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)c1 ZINC000821427287 1446482912 /nfs/dbraw/zinc/48/29/12/1446482912.db2.gz QOFBAEWJRVKAOE-VURMDHGXSA-N -1 0 326.381 3.223 20 30 EGEDRM N#Cc1ccc2c(c1)CCC(=Cc1cc(-c3nnn[n-]3)cs1)C2=O ZINC000822837903 1446615621 /nfs/dbraw/zinc/61/56/21/1446615621.db2.gz XWEXQMLJTLKNRF-SDQBBNPISA-N -1 0 333.376 3.012 20 30 EGEDRM N#Cc1ccc(SCc2ccc(-c3nn[n-]n3)cc2F)c(F)c1 ZINC000737721625 1446924341 /nfs/dbraw/zinc/92/43/41/1446924341.db2.gz AJLGTYUMKCXXOP-UHFFFAOYSA-N -1 0 329.335 3.309 20 30 EGEDRM N#Cc1cccc(Sc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)n1 ZINC000826387403 1446950803 /nfs/dbraw/zinc/95/08/03/1446950803.db2.gz SXVZLVRJIYDQEV-UHFFFAOYSA-N -1 0 348.313 3.303 20 30 EGEDRM C=C(C)CCNC(=O)N[C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000909032664 939372632 /nfs/dbraw/zinc/37/26/32/939372632.db2.gz YOYQWULPJUASSQ-LBPRGKRZSA-N -1 0 330.306 3.097 20 30 EGEDRM CC(C)c1nc(-c2nnn[n-]2)c(N=NCc2ccc(F)cc2Cl)o1 ZINC000820202422 945374818 /nfs/dbraw/zinc/37/48/18/945374818.db2.gz HZSNHSGEABONIE-UHFFFAOYSA-N -1 0 349.757 3.217 20 30 EGEDRM C#C[C@H](NC(=O)[C@]1(C(=O)[O-])CC=CCC1)c1ccc(Cl)cc1F ZINC001602673449 971240577 /nfs/dbraw/zinc/24/05/77/971240577.db2.gz URWNSKKGFZJBKB-YOEHRIQHSA-N -1 0 335.762 3.081 20 30 EGEDRM C[C@@H]1CCCC[C@H]1CN=Nc1oc(C(C)(C)C)nc1-c1nnn[n-]1 ZINC000824935740 947000011 /nfs/dbraw/zinc/00/00/11/947000011.db2.gz CSUCELDUSKNWSQ-MNOVXSKESA-N -1 0 331.424 3.376 20 30 EGEDRM N#CCCCOc1cccc(NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)c1 ZINC000326705320 971319287 /nfs/dbraw/zinc/31/92/87/971319287.db2.gz WAIBCZVGWYATRC-KBPBESRZSA-N -1 0 330.384 3.199 20 30 EGEDRM C=CC[C@@H](Cc1ccccc1)NC(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC001602718106 971372456 /nfs/dbraw/zinc/37/24/56/971372456.db2.gz DPCYZDAVBRUCTQ-IRXDYDNUSA-N -1 0 332.444 3.220 20 30 EGEDRM CCCC[C@H](ON=C(C)C)C(=O)N[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001589639744 949671089 /nfs/dbraw/zinc/67/10/89/949671089.db2.gz KFGZVHCEEVHAFA-MAUKXSAKSA-N -1 0 334.416 3.074 20 30 EGEDRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2ccc(C#N)cc2C2CC2)C1 ZINC001589271367 953407112 /nfs/dbraw/zinc/40/71/12/953407112.db2.gz AKVOSHCSQXZICA-RISCZKNCSA-N -1 0 327.384 3.010 20 30 EGEDRM CCc1ccc([C@@H](C#N)N(C)C(=O)c2coc(/C=C\C(=O)[O-])c2)cc1 ZINC001593635586 953608257 /nfs/dbraw/zinc/60/82/57/953608257.db2.gz WVQZSPRQXVKEJR-XZVRFQMRSA-N -1 0 338.363 3.277 20 30 EGEDRM Cn1c2ccccc2nc1[C@@H](C#N)C(=O)C1(C(=O)[O-])CCCCCC1 ZINC001594517951 955432365 /nfs/dbraw/zinc/43/23/65/955432365.db2.gz KBOXOGGISGTCOV-ZDUSSCGKSA-N -1 0 339.395 3.175 20 30 EGEDRM N#C[C@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)c1c(Cl)cccc1Cl ZINC001594601440 956135166 /nfs/dbraw/zinc/13/51/66/956135166.db2.gz MMMPUBGSAAOTMF-SBMIAAHKSA-N -1 0 341.194 3.175 20 30 EGEDRM N#CCSc1cccc(C(=O)NC2(C(=O)[O-])CCCCCC2)c1 ZINC001594611622 956218366 /nfs/dbraw/zinc/21/83/66/956218366.db2.gz ULSARHRWTOAELA-UHFFFAOYSA-N -1 0 332.425 3.210 20 30 EGEDRM N#Cc1ccc(N(C(=O)c2coc(/C=C\C(=O)[O-])c2)C2CCC2)cc1 ZINC001594621000 956281528 /nfs/dbraw/zinc/28/15/28/956281528.db2.gz CJIMAYWTIWMLDN-HJWRWDBZSA-N -1 0 336.347 3.448 20 30 EGEDRM N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)C1(C(=O)[O-])CCCCCC1 ZINC001594626829 956319412 /nfs/dbraw/zinc/31/94/12/956319412.db2.gz ITBFVTRLQGPWQT-KRWDZBQOSA-N -1 0 340.423 3.477 20 30 EGEDRM N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)Nc1ccccc1C(=O)[O-] ZINC001594627793 956324752 /nfs/dbraw/zinc/32/47/52/956324752.db2.gz VVABXGJZGSQZJM-MRXNPFEDSA-N -1 0 335.363 3.456 20 30 EGEDRM CC(C)(C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21)c1ccc(C#N)cc1 ZINC000902014244 956603800 /nfs/dbraw/zinc/60/38/00/956603800.db2.gz CMPBPRSVYKENIF-MSOLQXFVSA-N -1 0 348.402 3.265 20 30 EGEDRM C[C@@H](NC(=O)C(C)(C)c1ccc(C#N)cc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000902028963 956618679 /nfs/dbraw/zinc/61/86/79/956618679.db2.gz HDYIYKFUVRLYTQ-UHOFOFEASA-N -1 0 342.439 3.087 20 30 EGEDRM Cc1ccccc1C1N=NC(=S)N1N=Cc1ccc(C(=O)[O-])cc1 ZINC000916341920 957094845 /nfs/dbraw/zinc/09/48/45/957094845.db2.gz PFAUWNVIUJDHOA-UHFFFAOYSA-N -1 0 338.392 3.123 20 30 EGEDRM C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@H](CC)C(=O)[O-] ZINC001339940489 957908694 /nfs/dbraw/zinc/90/86/94/957908694.db2.gz SZTCFGZMSOSNDT-JTQLQIEISA-N -1 0 330.837 3.210 20 30 EGEDRM C#C[C@H](NC(=O)Nc1cncc(C(=O)[O-])c1)c1ccc(Cl)cc1F ZINC001588373323 957966687 /nfs/dbraw/zinc/96/66/87/957966687.db2.gz DCPHVEOCKDGHCL-AWEZNQCLSA-N -1 0 347.733 3.068 20 30 EGEDRM Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CCC(=O)[O-] ZINC001594311505 958029902 /nfs/dbraw/zinc/02/99/02/958029902.db2.gz VCQMANIGHGCECT-UHFFFAOYSA-N -1 0 340.354 3.404 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)N[C@@H](C)c1ccc(Cl)c2ccccc21 ZINC001588407204 958097754 /nfs/dbraw/zinc/09/77/54/958097754.db2.gz IJSOIKPTPQHRIJ-LBPRGKRZSA-N -1 0 344.798 3.284 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)N[C@@H](CC(C)C)c1ccc(Cl)cc1 ZINC001588409770 958130585 /nfs/dbraw/zinc/13/05/85/958130585.db2.gz JKKWXCBZFJLMFC-HNNXBMFYSA-N -1 0 336.819 3.157 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)N[C@H]1CCC(C)(C)C[C@H]1c1ccccc1 ZINC001588410671 958142103 /nfs/dbraw/zinc/14/21/03/958142103.db2.gz XVKKOSFREPJSAY-IRXDYDNUSA-N -1 0 342.439 3.078 20 30 EGEDRM CC(C)C[C@@H](CNc1cc(Br)ccc1C#N)C(=O)[O-] ZINC000122998539 958493505 /nfs/dbraw/zinc/49/35/05/958493505.db2.gz CWZMJGZNPAECHG-NSHDSACASA-N -1 0 325.206 3.480 20 30 EGEDRM C=CCN(C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl)[C@@H](C)COC ZINC001573329046 958504591 /nfs/dbraw/zinc/50/45/91/958504591.db2.gz VTHZDGPTCAIFMA-VIFPVBQESA-N -1 0 344.770 3.232 20 30 EGEDRM C=CC[S@](=O)(=NC(=O)C1(C(=O)[O-])C(C)(C)C1(C)C)c1ccccc1 ZINC001588469654 958519117 /nfs/dbraw/zinc/51/91/17/958519117.db2.gz SBTYHTMJRWTSHW-XMMPIXPASA-N -1 0 349.452 3.363 20 30 EGEDRM C=CCn1cc2ccc(NC(=O)/C=C/c3ccc(C(=O)[O-])o3)cc2n1 ZINC001588474291 958555297 /nfs/dbraw/zinc/55/52/97/958555297.db2.gz GVCALQWOXZMBGY-SOFGYWHQSA-N -1 0 337.335 3.165 20 30 EGEDRM CC(C)(C)CC[C@@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)C(=O)[O-] ZINC001588648479 959749027 /nfs/dbraw/zinc/74/90/27/959749027.db2.gz NTJQHTLIMJKLRV-OAHLLOKOSA-N -1 0 328.412 3.251 20 30 EGEDRM C=CCOc1ccc(C(=O)Nc2ccc(C(=O)[O-])c(OC)c2)cc1 ZINC000392725218 972515068 /nfs/dbraw/zinc/51/50/68/972515068.db2.gz WGKYDVJIRAIRGF-UHFFFAOYSA-N -1 0 327.336 3.211 20 30 EGEDRM CCCC[C@H](ON=C(C)C)C(=O)N[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001573841490 961083122 /nfs/dbraw/zinc/08/31/22/961083122.db2.gz UGOKTYXBCXHEEB-GJZGRUSLSA-N -1 0 338.379 3.039 20 30 EGEDRM CCCC[C@@H](ON=C(C)C)C(=O)N[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001573841494 961083160 /nfs/dbraw/zinc/08/31/60/961083160.db2.gz UGOKTYXBCXHEEB-HUUCEWRRSA-N -1 0 338.379 3.039 20 30 EGEDRM C#C[C@@H](NC(=O)Nc1cccc(C(=O)[O-])n1)c1ccc(Cl)cc1F ZINC001573302768 962660749 /nfs/dbraw/zinc/66/07/49/962660749.db2.gz QBNAEPNXGOYSDF-GFCCVEGCSA-N -1 0 347.733 3.068 20 30 EGEDRM C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001573326563 962804345 /nfs/dbraw/zinc/80/43/45/962804345.db2.gz YQALKXACCJCADY-ZDUSSCGKSA-N -1 0 346.818 3.086 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N[C@H](C)c1ccc(OCCC)c(OC)c1 ZINC001573331945 962820278 /nfs/dbraw/zinc/82/02/78/962820278.db2.gz FFZCEGKAGNGNOE-CYBMUJFWSA-N -1 0 335.400 3.082 20 30 EGEDRM C=CCCC(C)(C)CNC(=O)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001573352673 962990272 /nfs/dbraw/zinc/99/02/72/962990272.db2.gz HMRYJUZHPOIVPJ-FQEVSTJZSA-N -1 0 344.455 3.417 20 30 EGEDRM C=CCCC1(CNS(=O)(=O)c2ccc(C(=O)[O-])s2)CCCC1 ZINC001573357135 963013562 /nfs/dbraw/zinc/01/35/62/963013562.db2.gz JRQBJSBLQRGYPD-UHFFFAOYSA-N -1 0 343.470 3.251 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1cnn(-c2cccc(C)c2)c1C)C(=O)[O-] ZINC001573366629 963061936 /nfs/dbraw/zinc/06/19/36/963061936.db2.gz NTYLKQUJLLWVHR-QGZVFWFLSA-N -1 0 341.411 3.028 20 30 EGEDRM Cc1ccc(CNC(=O)[C@](C)(C#N)CC(=O)[O-])c(OCCC(C)C)c1 ZINC001605273834 973064184 /nfs/dbraw/zinc/06/41/84/973064184.db2.gz SUCQADAWHMLREJ-IBGZPJMESA-N -1 0 346.427 3.041 20 30 EGEDRM CC(C)c1c(Cl)ncnc1N=NCc1cccn1[C@@H](C)C(=O)[O-] ZINC001591923438 976400775 /nfs/dbraw/zinc/40/07/75/976400775.db2.gz PJBVRXAATBLTGG-JTQLQIEISA-N -1 0 335.795 3.147 20 30 EGEDRM C[C@@H](CC(=O)N1CCC(C#N)(C(=O)[O-])CC1)Cc1ccc(Cl)cc1 ZINC001592227713 977425780 /nfs/dbraw/zinc/42/57/80/977425780.db2.gz RHYSJQXWLVLCIY-CYBMUJFWSA-N -1 0 348.830 3.126 20 30 EGEDRM C[C@H](CC(=O)[O-])CC(=O)N(Cc1ccco1)c1ccccc1C#N ZINC001592370774 977887419 /nfs/dbraw/zinc/88/74/19/977887419.db2.gz MABKQCCZUZORPL-ZDUSSCGKSA-N -1 0 326.352 3.185 20 30 EGEDRM C[C@H](CCCC#C[Si](C)(C)C)OC(=O)c1csc(C(=O)[O-])n1 ZINC001592477833 978247093 /nfs/dbraw/zinc/24/70/93/978247093.db2.gz OGRCGANXJDZLPK-LLVKDONJSA-N -1 0 339.489 3.438 20 30 EGEDRM C[C@@H](CN(Cc1ccccc1)c1snc(Cl)c1C#N)C(=O)[O-] ZINC001592609656 978556421 /nfs/dbraw/zinc/55/64/21/978556421.db2.gz HICZQMWTPDQVGK-JTQLQIEISA-N -1 0 335.816 3.395 20 30 EGEDRM CCOCc1cc(C=NNc2ccccc2C(=O)[O-])ccc1OC ZINC000747610837 978686789 /nfs/dbraw/zinc/68/67/89/978686789.db2.gz GWHAMTLWIVSAET-UHFFFAOYSA-N -1 0 328.368 3.376 20 30 EGEDRM O=C([O-])c1ccc(N=NCc2ccccc2OCc2ccccn2)nc1 ZINC000763368056 978720455 /nfs/dbraw/zinc/72/04/55/978720455.db2.gz JIBUZQVPVZJFRD-UHFFFAOYSA-N -1 0 348.362 3.200 20 30 EGEDRM CC(CCc1ccccc1[N+](=O)[O-])N=Nc1ccc(C(=O)[O-])cn1 ZINC000763372068 978722615 /nfs/dbraw/zinc/72/26/15/978722615.db2.gz QFFPENNPAZVWMP-UHFFFAOYSA-N -1 0 328.328 3.109 20 30 EGEDRM O=C([O-])c1cccc(/C=C\C(=O)c2ncc(Br)s2)c1 ZINC000774135041 978746347 /nfs/dbraw/zinc/74/63/47/978746347.db2.gz PCIJXMUOIBUOQO-PLNGDYQASA-N -1 0 338.182 3.500 20 30 EGEDRM Cn1cc(CN=Nc2ccc(C(=O)[O-])cn2)c(C2CCCCC2)n1 ZINC000783864002 978793845 /nfs/dbraw/zinc/79/38/45/978793845.db2.gz UDSXMBQDTWILHK-UHFFFAOYSA-N -1 0 327.388 3.007 20 30 EGEDRM COc1ccc2nc(C=NNc3ccccc3C(=O)[O-])sc2c1 ZINC000788701214 978797567 /nfs/dbraw/zinc/79/75/67/978797567.db2.gz DDWMDOFBEJFRLT-UHFFFAOYSA-N -1 0 327.365 3.449 20 30 EGEDRM COc1ccccc1-n1nccc1C=NNc1cccc(C(=O)[O-])c1 ZINC000797397749 978833053 /nfs/dbraw/zinc/83/30/53/978833053.db2.gz JXZJXIVUQCDIDH-UHFFFAOYSA-N -1 0 336.351 3.025 20 30 EGEDRM O=C([O-])COc1ccc(/C=C/C(=O)c2ccnn2-c2ccccc2)cc1 ZINC000798372742 978836046 /nfs/dbraw/zinc/83/60/46/978836046.db2.gz OZPLAJYEGZXAJO-DHZHZOJOSA-N -1 0 348.358 3.232 20 30 EGEDRM O=C([O-])Cn1cc(C=NNCc2cc(F)ccc2F)c2ccccc21 ZINC000799876309 978843184 /nfs/dbraw/zinc/84/31/84/978843184.db2.gz MYYRTTQRPUUIFM-UHFFFAOYSA-N -1 0 343.333 3.128 20 30 EGEDRM COCC(Cc1ccccc1)N=Nc1ccc(C(=O)[O-])cc1OC ZINC000814887244 978895975 /nfs/dbraw/zinc/89/59/75/978895975.db2.gz OLJJWADTBNVNKJ-UHFFFAOYSA-N -1 0 328.368 3.050 20 30 EGEDRM C[C@H]1C(N=Nc2cncc(Br)c2)CC[C@H]1CC(=O)[O-] ZINC000814886431 978895988 /nfs/dbraw/zinc/89/59/88/978895988.db2.gz BTASUAHBNXTKIC-BDAKNGLRSA-N -1 0 326.194 3.133 20 30 EGEDRM COc1cccc(F)c1[C@H](C)N[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832557922 979047050 /nfs/dbraw/zinc/04/70/50/979047050.db2.gz CQUBGIYIJKOXCZ-GTNSWQLSSA-N -1 0 328.343 3.182 20 30 EGEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001592833348 979570818 /nfs/dbraw/zinc/57/08/18/979570818.db2.gz GGJIWUROZOQZNN-GFCCVEGCSA-N -1 0 340.354 3.142 20 30 EGEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001592834248 979574714 /nfs/dbraw/zinc/57/47/14/979574714.db2.gz NVUPTMCJNFVMOV-AWEZNQCLSA-N -1 0 348.402 3.020 20 30 EGEDRM C=C(C)C[C@H](NC(=O)c1oc2ccccc2c1CSC)C(=O)[O-] ZINC000864187523 979833872 /nfs/dbraw/zinc/83/38/72/979833872.db2.gz MNZNNPGROKRSGS-ZDUSSCGKSA-N -1 0 333.409 3.445 20 30 EGEDRM C[C@H](NC(=O)C12CCC(C(=O)[O-])(CC1)CC2)c1ccc(C#N)cc1 ZINC001592998763 980208822 /nfs/dbraw/zinc/20/88/22/980208822.db2.gz OEBBCUWOJSBTSW-MDAWKPQNSA-N -1 0 326.396 3.161 20 30 EGEDRM C[C@H](NC(=O)/C=C/c1ccccc1C#N)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593011047 980245288 /nfs/dbraw/zinc/24/52/88/980245288.db2.gz LYROHJSVAOAZNK-ARLHZHEUSA-N -1 0 348.402 3.020 20 30 EGEDRM O=C([O-])Cn1cc(C=NNC2CCC(F)(F)CC2)c2ccccc21 ZINC000901341906 980260442 /nfs/dbraw/zinc/26/04/42/980260442.db2.gz SIMGIRCJMZFGBW-UHFFFAOYSA-N -1 0 335.354 3.227 20 30 EGEDRM C[C@H](Oc1ccc(C=NNC2CCC(F)(F)CC2)cc1)C(=O)[O-] ZINC000901340529 980260718 /nfs/dbraw/zinc/26/07/18/980260718.db2.gz IMQNOJYXQBOMTQ-NSHDSACASA-N -1 0 326.343 3.040 20 30 EGEDRM C=C[C@](C)(CCOC)C(=O)NCCc1cc2ccc(C(=O)[O-])cc2o1 ZINC000908218169 981281498 /nfs/dbraw/zinc/28/14/98/981281498.db2.gz BJMHLHURVDWZSC-LJQANCHMSA-N -1 0 345.395 3.019 20 30 EGEDRM C=C[C@@](C)(CCOC)C(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC000909214309 981433944 /nfs/dbraw/zinc/43/39/44/981433944.db2.gz NKKZABZAEBZXOG-SFHVURJKSA-N -1 0 347.436 3.445 20 30 EGEDRM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC000909214531 981434167 /nfs/dbraw/zinc/43/41/67/981434167.db2.gz RQNCNVIMGSEKSM-WFASDCNBSA-N -1 0 345.420 3.197 20 30 EGEDRM C=C(C)[C@H](CC(=O)Nc1cccc(CSCC(=O)[O-])c1)OCC ZINC000909224879 981436341 /nfs/dbraw/zinc/43/63/41/981436341.db2.gz HFDNNOSEVPCLLE-HNNXBMFYSA-N -1 0 337.441 3.314 20 30 EGEDRM C=C(C)C[C@H](NC(=O)c1ccc(OC(F)F)c(Cl)c1)C(=O)[O-] ZINC000910294659 981848023 /nfs/dbraw/zinc/84/80/23/981848023.db2.gz RIRGCQZOEUPQEA-JTQLQIEISA-N -1 0 333.718 3.091 20 30 EGEDRM CCCC[C@H](NC(=O)C1(c2ccc(C#N)cc2)CCCC1)C(=O)[O-] ZINC001595635135 981899499 /nfs/dbraw/zinc/89/94/99/981899499.db2.gz YEYRDVFFSPNMRU-INIZCTEOSA-N -1 0 328.412 3.130 20 30 EGEDRM CCCC[C@@H](ON=C(C)C)C(=O)N(Cc1ccccc1)[C@H](C)C(=O)[O-] ZINC001595650956 982015750 /nfs/dbraw/zinc/01/57/50/982015750.db2.gz AFTNKEYVPVURTH-NVXWUHKLSA-N -1 0 348.443 3.460 20 30 EGEDRM CCCC[C@H](ON=C(C)C)C(=O)Nc1nc2c(cccc2C(=O)[O-])[nH]1 ZINC001595652137 982030764 /nfs/dbraw/zinc/03/07/64/982030764.db2.gz PFHQMKIXLCHNTO-ZDUSSCGKSA-N -1 0 346.387 3.171 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1oc(-c2ccccc2)nc1C)C(=O)[O-] ZINC000910913428 982161633 /nfs/dbraw/zinc/16/16/33/982161633.db2.gz WJNSGHZCPZZKED-CQSZACIVSA-N -1 0 328.368 3.189 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1c(C)oc2ccc(OC)cc21)C(=O)[O-] ZINC000910919240 982164310 /nfs/dbraw/zinc/16/43/10/982164310.db2.gz VGUUQSUCGRYJCK-CQSZACIVSA-N -1 0 331.368 3.289 20 30 EGEDRM C=CCCC[C@@H](NC(=O)Cc1nc(-c2ccco2)c(C)s1)C(=O)[O-] ZINC000910924395 982166181 /nfs/dbraw/zinc/16/61/81/982166181.db2.gz BGQKPCQSLTUFLW-GFCCVEGCSA-N -1 0 348.424 3.180 20 30 EGEDRM CCCCCCCCC(=O)NC1(C(=O)OC)CCC(C(=O)[O-])CC1 ZINC001595704565 982277244 /nfs/dbraw/zinc/27/72/44/982277244.db2.gz APLDXVRHYSXPHO-UHFFFAOYSA-N -1 0 341.448 3.040 20 30 EGEDRM CCCCCCCS(=O)(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC001595708736 982286926 /nfs/dbraw/zinc/28/69/26/982286926.db2.gz FJCBWUSJQBDMLJ-CQSZACIVSA-N -1 0 339.457 3.365 20 30 EGEDRM CC[C@](C)(C#N)C(=O)Nc1cc(Br)cc(C(=O)[O-])c1C ZINC000923098046 982722599 /nfs/dbraw/zinc/72/25/99/982722599.db2.gz QBSUDRWTRHZLNV-CQSZACIVSA-N -1 0 339.189 3.334 20 30 EGEDRM N#C[C@@]1(C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)CC2CCC1CC2 ZINC000923099235 982723267 /nfs/dbraw/zinc/72/32/67/982723267.db2.gz HTKDASSWDQBFPY-PZVXKMKYSA-N -1 0 338.407 3.136 20 30 EGEDRM N#Cc1cc(C(F)(F)F)cc(NC[C@H](C(=O)[O-])c2ccccc2)n1 ZINC001574790875 983276311 /nfs/dbraw/zinc/27/63/11/983276311.db2.gz GUPFFHNPKHITKJ-ZDUSSCGKSA-N -1 0 335.285 3.252 20 30 EGEDRM C#C[C@H](NC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1)c1ccccc1 ZINC001588374488 983344858 /nfs/dbraw/zinc/34/48/58/983344858.db2.gz YBQPOZHBGAJTKW-KSZLIROESA-N -1 0 334.375 3.371 20 30 EGEDRM C#CC[C@H](Cc1ccccc1)Nc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001588396240 983407735 /nfs/dbraw/zinc/40/77/35/983407735.db2.gz XBCREWMQTAVWEC-CQSZACIVSA-N -1 0 339.351 3.043 20 30 EGEDRM C#CC[C@@H](NC(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1)C(=O)[O-] ZINC001588404853 983419334 /nfs/dbraw/zinc/41/93/34/983419334.db2.gz AWEVWYOCJSPPTJ-SLZMIMFISA-N -1 0 343.379 3.160 20 30 EGEDRM C#CCOc1cccc(-c2noc(C34CCC(C(=O)[O-])(CC3)C4)n2)c1 ZINC001588497982 983542549 /nfs/dbraw/zinc/54/25/49/983542549.db2.gz OCAXQGXXJIUDCH-UHFFFAOYSA-N -1 0 338.363 3.035 20 30 EGEDRM C=C(C)C[C@H](NC(=O)[C@H](c1ccncc1)C1CCCCC1)C(=O)[O-] ZINC001588537618 983600713 /nfs/dbraw/zinc/60/07/13/983600713.db2.gz UCDIYXQFKJXLOB-IRXDYDNUSA-N -1 0 330.428 3.281 20 30 EGEDRM C=C(C)C[C@H](NC(=O)c1cc(Br)c(F)cc1C)C(=O)[O-] ZINC001588544100 983613106 /nfs/dbraw/zinc/61/31/06/983613106.db2.gz UMUVFWVQHGKCFO-LBPRGKRZSA-N -1 0 344.180 3.046 20 30 EGEDRM C=C(C)C[C@H](NC(=O)c1sc(-c2ccc(F)cc2)nc1C)C(=O)[O-] ZINC001588546740 983616586 /nfs/dbraw/zinc/61/65/86/983616586.db2.gz BRPSTAQRIHQRJF-ZDUSSCGKSA-N -1 0 348.399 3.407 20 30 EGEDRM C=C(C)C[C@H](NC(=O)c1ccc(Oc2ccccc2)cn1)C(=O)[O-] ZINC001588547385 983619851 /nfs/dbraw/zinc/61/98/51/983619851.db2.gz ZMFYKPPGAQXGHC-INIZCTEOSA-N -1 0 326.352 3.023 20 30 EGEDRM C=C(C)C[C@H](Nc1ncnc2c(Cl)cc([N+](=O)[O-])cc12)C(=O)[O-] ZINC001588554949 983632652 /nfs/dbraw/zinc/63/26/52/983632652.db2.gz VMHRMBQXMYIDJB-NSHDSACASA-N -1 0 336.735 3.023 20 30 EGEDRM C=C(C)Cn1c([C@@H](C)C2CCC2)nnc1N1CC[C@@](C)(C(=O)[O-])C1 ZINC001588589993 983668859 /nfs/dbraw/zinc/66/88/59/983668859.db2.gz VSGXXTKSTXDWSF-SCLBCKFNSA-N -1 0 332.448 3.059 20 30 EGEDRM C=C(C)Cn1c(N2CCC[C@@H](CCC(=O)[O-])C2)nnc1C(C)(C)F ZINC001588598637 983684987 /nfs/dbraw/zinc/68/49/87/983684987.db2.gz JMGNPXIDLAYLDM-ZDUSSCGKSA-N -1 0 338.427 3.140 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N[C@H](CC)c1ccccc1OC(F)F ZINC001588621341 983718853 /nfs/dbraw/zinc/71/88/53/983718853.db2.gz CFICUIULABYRGQ-GFCCVEGCSA-N -1 0 327.327 3.276 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC001588623829 983729966 /nfs/dbraw/zinc/72/99/66/983729966.db2.gz YMMNVMQZLPMCSW-LLVKDONJSA-N -1 0 344.194 3.354 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)NCC1(c2ccc(F)cc2F)CCCC1 ZINC001588624836 983735423 /nfs/dbraw/zinc/73/54/23/983735423.db2.gz YCOXMCQKMFLZEF-UHFFFAOYSA-N -1 0 337.366 3.314 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)NCc1cc(Cl)cc(Br)c1 ZINC001588629705 983738979 /nfs/dbraw/zinc/73/89/79/983738979.db2.gz IRGFLWBVOSLEOQ-UHFFFAOYSA-N -1 0 346.608 3.140 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1nc(-c2ccccc2)c(C(C)=O)s1 ZINC001588632866 983746500 /nfs/dbraw/zinc/74/65/00/983746500.db2.gz CYHGXRDSOVQDFI-UHFFFAOYSA-N -1 0 344.392 3.372 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1cccc(OCC(F)(F)F)c1C ZINC001588634266 983752994 /nfs/dbraw/zinc/75/29/94/983752994.db2.gz UNNWXZCQHURPEP-UHFFFAOYSA-N -1 0 331.290 3.296 20 30 EGEDRM C=C[C@@H](C(=O)N[C@H](C(=O)[O-])c1cc(F)ccc1F)c1ccccc1 ZINC001588663752 983796790 /nfs/dbraw/zinc/79/67/90/983796790.db2.gz KJGDORMVYDYLBD-CJNGLKHVSA-N -1 0 331.318 3.177 20 30 EGEDRM C=C[C@H](CC(=O)N[C@H](C(=O)[O-])c1cccc(OC)c1)c1ccccc1 ZINC001588690619 983875128 /nfs/dbraw/zinc/87/51/28/983875128.db2.gz FMZWTKJIXLXVSS-KUHUBIRLSA-N -1 0 339.391 3.297 20 30 EGEDRM C=C[C@@H](CC(=O)Nc1cc2c(cc1C(=O)[O-])OCO2)c1ccccc1 ZINC001588691330 983880066 /nfs/dbraw/zinc/88/00/66/983880066.db2.gz XYBSSKSTVULILR-LBPRGKRZSA-N -1 0 339.347 3.412 20 30 EGEDRM C=CC[C@@H](CC)NC(=O)C(=O)Nc1cccc2cc(C(=O)[O-])sc21 ZINC001588735878 984021066 /nfs/dbraw/zinc/02/10/66/984021066.db2.gz NOSGJAHHONUCHQ-LLVKDONJSA-N -1 0 346.408 3.009 20 30 EGEDRM C=CCC(F)(F)C(=O)Oc1ccc(C(=O)[O-])cc1Br ZINC001588743495 984037819 /nfs/dbraw/zinc/03/78/19/984037819.db2.gz YQKZSFMNVMZLCB-UHFFFAOYSA-N -1 0 335.100 3.264 20 30 EGEDRM C=CC[C@@H](Cc1ccccc1)NC(=O)NCc1ccc(C(=O)[O-])s1 ZINC001588743881 984040219 /nfs/dbraw/zinc/04/02/19/984040219.db2.gz FBMNQNZXKAUSII-AWEZNQCLSA-N -1 0 344.436 3.433 20 30 EGEDRM C=CCC1(CNC(=O)[C@]2(C(=O)[O-])C[C@@H]2c2ccccc2)CCCC1 ZINC001588767272 984129466 /nfs/dbraw/zinc/12/94/66/984129466.db2.gz RKVONNZMFSPLSO-UZLBHIALSA-N -1 0 327.424 3.498 20 30 EGEDRM C=CCCC[C@H](C(=O)N1CCC(C#N)(C(=O)[O-])CC1)c1ccccc1 ZINC001588782461 984172280 /nfs/dbraw/zinc/17/22/80/984172280.db2.gz FSTPIVJKNZXRBE-KRWDZBQOSA-N -1 0 340.423 3.343 20 30 EGEDRM C=CCCC[C@@H](NC(=O)[C@H](C)Oc1ccccc1Cl)C(=O)[O-] ZINC001588786153 984182859 /nfs/dbraw/zinc/18/28/59/984182859.db2.gz MZQNDGXVDHZBQB-WCQYABFASA-N -1 0 325.792 3.033 20 30 EGEDRM C=CCCC[C@H](NC(=O)C1(c2ccnc3ccccc32)CC1)C(=O)[O-] ZINC001588789541 984199203 /nfs/dbraw/zinc/19/92/03/984199203.db2.gz DWCUNIUUQCNFLI-KRWDZBQOSA-N -1 0 338.407 3.192 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1cccc(Oc2ccccn2)c1)C(=O)[O-] ZINC001588793140 984216371 /nfs/dbraw/zinc/21/63/71/984216371.db2.gz LIUFXKKTCWIUCI-MRXNPFEDSA-N -1 0 340.379 3.413 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1cc(-c2ccc(C)c(C)c2)n[nH]1)C(=O)[O-] ZINC001588793490 984219469 /nfs/dbraw/zinc/21/94/69/984219469.db2.gz YEPBKAWMKLJACM-OAHLLOKOSA-N -1 0 341.411 3.233 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1cc(Oc2ccccc2)ccn1)C(=O)[O-] ZINC001588793535 984219853 /nfs/dbraw/zinc/21/98/53/984219853.db2.gz ZEJPYPOWNRATLZ-MRXNPFEDSA-N -1 0 340.379 3.413 20 30 EGEDRM C=CCCC[C@H](NS(=O)(=O)c1c(C)c(C)cc(C)c1C)C(=O)[O-] ZINC001588798847 984239153 /nfs/dbraw/zinc/23/91/53/984239153.db2.gz SNSSUOCBFMQAFM-HNNXBMFYSA-N -1 0 339.457 3.008 20 30 EGEDRM C=CCCCCCCNS(=O)(=O)c1cccc(Cl)c1C(=O)[O-] ZINC001588799740 984241566 /nfs/dbraw/zinc/24/15/66/984241566.db2.gz DRLLIDWDJJYTHV-UHFFFAOYSA-N -1 0 345.848 3.453 20 30 EGEDRM C=CCCOCCCCC(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001588810507 984267611 /nfs/dbraw/zinc/26/76/11/984267611.db2.gz UWDHGDPIQPSWCV-UHFFFAOYSA-N -1 0 327.327 3.365 20 30 EGEDRM C=CCN(C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)[C@@H](C)COC ZINC001588820589 984285754 /nfs/dbraw/zinc/28/57/54/984285754.db2.gz MPGGWOXXYQBCKY-ZDUSSCGKSA-N -1 0 334.416 3.104 20 30 EGEDRM C=CCN(CC1CCCCC1)S(=O)(=O)CC1(C(=O)[O-])CCCC1 ZINC001588825343 984299649 /nfs/dbraw/zinc/29/96/49/984299649.db2.gz LFLUIOIIQIFLNF-UHFFFAOYSA-N -1 0 343.489 3.030 20 30 EGEDRM C=CCN(Cc1ccccc1F)C(=O)Nc1cnc(C)c(C(=O)[O-])c1 ZINC001588831631 984315361 /nfs/dbraw/zinc/31/53/61/984315361.db2.gz FTQCVNVLIQWUGA-UHFFFAOYSA-N -1 0 343.358 3.447 20 30 EGEDRM C=CCN(Cc1cc(C)c(C(=O)[O-])o1)Cc1cccc([N+](=O)[O-])c1 ZINC001588832260 984320481 /nfs/dbraw/zinc/32/04/81/984320481.db2.gz AFZLCHUWRQFGFC-UHFFFAOYSA-N -1 0 330.340 3.383 20 30 EGEDRM C=CCOc1ccc(CNC(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC001588874110 984447551 /nfs/dbraw/zinc/44/75/51/984447551.db2.gz XDOVZSPNWQQLHV-UHFFFAOYSA-N -1 0 344.342 3.410 20 30 EGEDRM C=CCSc1ccccc1NC(=O)CN1CCC[C@@](C)(C(=O)[O-])C1 ZINC001588879813 984459701 /nfs/dbraw/zinc/45/97/01/984459701.db2.gz QPUQBHLOEJCUBT-GOSISDBHSA-N -1 0 348.468 3.090 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)C[C@H](OCC)C(=C)C ZINC001588881607 984460668 /nfs/dbraw/zinc/46/06/68/984460668.db2.gz CIIPDYDVRRLDCT-HNNXBMFYSA-N -1 0 348.395 3.399 20 30 EGEDRM C=CCn1c(COc2ccccc2)nnc1SCC1(C(=O)[O-])CC1 ZINC001588900729 984522503 /nfs/dbraw/zinc/52/25/03/984522503.db2.gz MNRTWTLFPLUIKO-UHFFFAOYSA-N -1 0 345.424 3.000 20 30 EGEDRM C=CCn1c(S[C@H](C(=O)[O-])[C@H](C)CC)nnc1-c1cccnc1 ZINC001588905009 984534245 /nfs/dbraw/zinc/53/42/45/984534245.db2.gz LXOGUQMJLOKRBZ-YPMHNXCESA-N -1 0 332.429 3.118 20 30 EGEDRM C=CCn1c(SCC2(C(=O)[O-])CC2)nnc1-c1cccc(C)c1 ZINC001588907643 984539846 /nfs/dbraw/zinc/53/98/46/984539846.db2.gz RNXZZHSYZBWDPD-UHFFFAOYSA-N -1 0 329.425 3.396 20 30 EGEDRM C=CCn1cc2ccc(NC(=O)c3cc(F)cc(C(=O)[O-])c3)cc2n1 ZINC001588909466 984544705 /nfs/dbraw/zinc/54/47/05/984544705.db2.gz VULSIOGEHVEICD-UHFFFAOYSA-N -1 0 339.326 3.312 20 30 EGEDRM C=C[C@@H]1OCC[C@H]1NC(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001588919678 984573440 /nfs/dbraw/zinc/57/34/40/984573440.db2.gz HIOCISUFNOVUIH-CVEARBPZSA-N -1 0 326.352 3.003 20 30 EGEDRM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1cc(C#N)ccc1Cl ZINC001599887339 984652390 /nfs/dbraw/zinc/65/23/90/984652390.db2.gz WTYLDIWBIHFNGI-GFCCVEGCSA-N -1 0 342.782 3.327 20 30 EGEDRM Cc1ccc(N=NC(C)[C@@H](C)NC(=O)OC(C)(C)C)cc1C(=O)[O-] ZINC001589016313 984994563 /nfs/dbraw/zinc/99/45/63/984994563.db2.gz FJYWUHLBCZLXIV-LLVKDONJSA-N -1 0 335.404 3.394 20 30 EGEDRM CC(=NNc1ccc(F)c(C(=O)[O-])c1)c1ccnn1CC1CCC1 ZINC001589016540 984995324 /nfs/dbraw/zinc/99/53/24/984995324.db2.gz XZYPBPIZDJDRIG-UHFFFAOYSA-N -1 0 330.363 3.357 20 30 EGEDRM C[C@H]1CN(C(=O)c2ccccc2-c2ccccc2C#N)C[C@]1(C)C(=O)[O-] ZINC001599925531 985194165 /nfs/dbraw/zinc/19/41/65/985194165.db2.gz UNDRLSQHSNEBGO-QKKBWIMNSA-N -1 0 348.402 3.408 20 30 EGEDRM Cc1[nH]c2ccccc2c1CC(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001599965303 985891769 /nfs/dbraw/zinc/89/17/69/985891769.db2.gz GXIAXOXYICJFOP-IBGZPJMESA-N -1 0 348.358 3.260 20 30 EGEDRM Cc1c2cc(C#N)ccc2sc1C(=O)N1CC[C@@H](C(=O)[O-])C[C@H]1C ZINC001599976593 986101613 /nfs/dbraw/zinc/10/16/13/986101613.db2.gz PEJZTAWUBQUDHG-ZWNOBZJWSA-N -1 0 342.420 3.407 20 30 EGEDRM C[C@@](C#N)(CCc1ccccc1)NC(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC001589323569 986146368 /nfs/dbraw/zinc/14/63/68/986146368.db2.gz FUJZAONEWMISBR-QIBOZCLASA-N -1 0 338.363 3.022 20 30 EGEDRM C[C@H](C#N)CN(Cc1c(Br)cccc1C(=O)[O-])C1CC1 ZINC001589330687 986177128 /nfs/dbraw/zinc/17/71/28/986177128.db2.gz NNCLDNHWWPYYET-SNVBAGLBSA-N -1 0 337.217 3.271 20 30 EGEDRM CCOc1cc(OCc2cccc(C(=O)[O-])c2C#N)ccc1[N+](=O)[O-] ZINC001597044726 986505245 /nfs/dbraw/zinc/50/52/45/986505245.db2.gz MGPNLHLZBWHXFA-UHFFFAOYSA-N -1 0 342.307 3.142 20 30 EGEDRM CCOc1ccc(/C=N/[C@@H](Cc2ccc(F)cc2)C(=O)[O-])c(O)c1 ZINC001597082264 986633690 /nfs/dbraw/zinc/63/36/90/986633690.db2.gz FCMUGFSJQHPRKH-YODDIOPGSA-N -1 0 331.343 3.045 20 30 EGEDRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2c[nH]c3cccc(C#N)c23)cc1 ZINC001589512234 987147558 /nfs/dbraw/zinc/14/75/58/987147558.db2.gz QASXNGUWQSIPOF-LLVKDONJSA-N -1 0 333.347 3.480 20 30 EGEDRM CC(C)(C#N)CC(=O)O[C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001589553988 987296711 /nfs/dbraw/zinc/29/67/11/987296711.db2.gz RFQHJEDJYGAASZ-LBPRGKRZSA-N -1 0 329.274 3.314 20 30 EGEDRM CC(C)(C(=O)[O-])[C@H](NC(=O)NCC1(C#N)CCCC1)c1ccccc1 ZINC001589595859 987415238 /nfs/dbraw/zinc/41/52/38/987415238.db2.gz XYYJZZAACUHBQD-OAHLLOKOSA-N -1 0 343.427 3.222 20 30 EGEDRM CCc1cc(C(=O)[O-])ccc1NC(=O)C1(c2cccc(C#N)c2)CC1 ZINC001597449723 987835292 /nfs/dbraw/zinc/83/52/92/987835292.db2.gz IYTSZQMSZNFMEO-UHFFFAOYSA-N -1 0 334.375 3.489 20 30 EGEDRM CCc1ccc([C@H](C#N)N(C)C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC001597509080 988089163 /nfs/dbraw/zinc/08/91/63/988089163.db2.gz WPVXCTZVPOOGBK-ULQDDVLXSA-N -1 0 328.412 3.163 20 30 EGEDRM CSc1ccc(NC(=O)N(C)[C@@H]2CCC[C@H]2C#N)cc1C(=O)[O-] ZINC001599816670 988437917 /nfs/dbraw/zinc/43/79/17/988437917.db2.gz KTPOLDVPZXSUAY-GXFFZTMASA-N -1 0 333.413 3.263 20 30 EGEDRM CSc1ccc2c(c1)CC/C(=C\c1c(C)n(C)nc1C(=O)[O-])C2=O ZINC001599823068 988548765 /nfs/dbraw/zinc/54/87/65/988548765.db2.gz WIBCMTQLONAEQO-FMIVXFBMSA-N -1 0 342.420 3.361 20 30 EGEDRM CC(C)(C)c1ccc(C#N)c(N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)n1 ZINC001590472387 990044880 /nfs/dbraw/zinc/04/48/80/990044880.db2.gz OOLLDMGWXXRAEF-AUUYWEPGSA-N -1 0 327.428 3.332 20 30 EGEDRM CN(C(=O)C[C@H](CC#N)c1ccccc1)[C@H](C(=O)[O-])c1ccccc1 ZINC001598006858 990161788 /nfs/dbraw/zinc/16/17/88/990161788.db2.gz BOEJDPUKRLJYEZ-HKUYNNGSSA-N -1 0 336.391 3.358 20 30 EGEDRM CN(C(=O)Cc1ccc(C(=O)[O-])cc1)c1cc(Cl)ccc1C#N ZINC001598034360 990258919 /nfs/dbraw/zinc/25/89/19/990258919.db2.gz LLIDGSDSPBKEDQ-UHFFFAOYSA-N -1 0 328.755 3.115 20 30 EGEDRM CC(C)(CC#N)CS(=O)(=O)Oc1c(C(=O)[O-])ccc2ccccc21 ZINC001590616544 990292633 /nfs/dbraw/zinc/29/26/33/990292633.db2.gz GWGFRMMWHYCUOR-UHFFFAOYSA-N -1 0 347.392 3.186 20 30 EGEDRM CC(C)(CCNC(=O)c1ccc(C#Cc2ccccc2)cc1)C(=O)[O-] ZINC001590679323 990389317 /nfs/dbraw/zinc/38/93/17/990389317.db2.gz PUNALHYBEAFZHY-UHFFFAOYSA-N -1 0 335.403 3.317 20 30 EGEDRM CN(C)c1cc(C#N)cc(C(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)c1 ZINC001598287698 991190222 /nfs/dbraw/zinc/19/02/22/991190222.db2.gz JOJKMVGYUVDXJB-UHFFFAOYSA-N -1 0 348.362 3.056 20 30 EGEDRM CC(C)[C@H](Cc1ccccc1)NN=Cc1cccn1[C@H](C)C(=O)[O-] ZINC001590993084 991209935 /nfs/dbraw/zinc/20/99/35/991209935.db2.gz GQCSPQINHKLWBM-QAPCUYQASA-N -1 0 327.428 3.325 20 30 EGEDRM C[C@H](NC(=O)N1CCc2cccc(C(=O)[O-])c2C1)c1cccc(C#N)c1 ZINC001593071803 993626992 /nfs/dbraw/zinc/62/69/92/993626992.db2.gz YNYLQWRLGNXMGY-ZDUSSCGKSA-N -1 0 349.390 3.085 20 30 EGEDRM C[C@@H](NCc1cccc(C(=O)[O-])c1C#N)c1ccc2c(c1)CCCO2 ZINC001593304753 994754011 /nfs/dbraw/zinc/75/40/11/994754011.db2.gz RLAXTMNHJYMBTG-CYBMUJFWSA-N -1 0 336.391 3.432 20 30 EGEDRM C[C@@H](Sc1ccccc1C(=O)NCC1(C#N)CCCC1)C(=O)[O-] ZINC001593672560 996077194 /nfs/dbraw/zinc/07/71/94/996077194.db2.gz FIQGHOFCGLCQSU-GFCCVEGCSA-N -1 0 332.425 3.066 20 30 EGEDRM C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001593698622 996166057 /nfs/dbraw/zinc/16/60/57/996166057.db2.gz LXXKXZPIDJHQKG-AWEZNQCLSA-N -1 0 343.427 3.296 20 30 EGEDRM C[C@@H](c1nc2ccccc2n1C(F)F)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001593734241 996323478 /nfs/dbraw/zinc/32/34/78/996323478.db2.gz SJOODAKOVLXZJO-NSHDSACASA-N -1 0 348.353 3.183 20 30 EGEDRM COc1ccc(C(=O)[O-])c2c1CN(c1cc(C)cc(F)c1C#N)CC2 ZINC001599498592 997065951 /nfs/dbraw/zinc/06/59/51/997065951.db2.gz SXSLOBUCRHQTRV-UHFFFAOYSA-N -1 0 340.354 3.275 20 30 EGEDRM COc1cc2c(c(/C=C/C(=O)c3cc(C(=O)[O-])co3)c1)O[C@@H](C)C2 ZINC001599401108 997216172 /nfs/dbraw/zinc/21/61/72/997216172.db2.gz XMIUVUWZWBQLCJ-FSIBCCDJSA-N -1 0 328.320 3.206 20 30 EGEDRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC001594156984 998573134 /nfs/dbraw/zinc/57/31/34/998573134.db2.gz PCKVMAFKPRHRJA-KXBFYZLASA-N -1 0 348.402 3.413 20 30 EGEDRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC001594158590 998586891 /nfs/dbraw/zinc/58/68/91/998586891.db2.gz JQOSWBAPIVWRFY-DNVCBOLYSA-N -1 0 333.387 3.022 20 30 EGEDRM C[C@@H]1CCc2c(C#N)c(NC(=O)c3cc(C(=O)[O-])ccn3)sc2C1 ZINC001594443880 999632197 /nfs/dbraw/zinc/63/21/97/999632197.db2.gz JGXREDANDMOPAQ-SECBINFHSA-N -1 0 341.392 3.090 20 30 EGEDRM CCc1ccc(C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)c(O)c1 ZINC000328588506 258044874 /nfs/dbraw/zinc/04/48/74/258044874.db2.gz RQTPACYCLCVLOH-IBGZPJMESA-N -1 0 336.391 3.040 20 30 EGEDRM C[C@@H](CC(=O)Nc1nc(C#N)c(C#N)[n-]1)c1ccccc1C(F)(F)F ZINC000175295844 533451664 /nfs/dbraw/zinc/45/16/64/533451664.db2.gz QYXJFHMZHQRBHZ-VIFPVBQESA-N -1 0 347.300 3.304 20 30 EGEDRM Cc1ccc2cccc([N-]S(=O)(=O)c3ccc(C#N)s3)c2n1 ZINC000336862328 154219169 /nfs/dbraw/zinc/21/91/69/154219169.db2.gz DNBGHCXJHABXIA-UHFFFAOYSA-N -1 0 329.406 3.277 20 30 EGEDRM N#Cc1cc(F)ccc1[N-]S(=O)(=O)c1cnc2ccccc2c1 ZINC000337782607 154539351 /nfs/dbraw/zinc/53/93/51/154539351.db2.gz USVJARYVRHTORM-UHFFFAOYSA-N -1 0 327.340 3.046 20 30 EGEDRM Cc1cc2c[nH]nc2cc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000355406287 166187157 /nfs/dbraw/zinc/18/71/57/166187157.db2.gz WITIOHUFUZLEMG-UHFFFAOYSA-N -1 0 346.799 3.197 20 30 EGEDRM Cc1nc(-c2ccccc2)c(C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)s1 ZINC000359720608 167213896 /nfs/dbraw/zinc/21/38/96/167213896.db2.gz WBKOAKPFOMXHAZ-UHFFFAOYSA-N -1 0 349.419 3.265 20 30 EGEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)C(c1ccccc1)c1ccccc1 ZINC000359725471 167214911 /nfs/dbraw/zinc/21/49/11/167214911.db2.gz ORHWAGOULLYKDP-UHFFFAOYSA-N -1 0 342.402 3.351 20 30 EGEDRM N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)CC1(C(=O)[O-])CCCC1 ZINC000416382660 269969361 /nfs/dbraw/zinc/96/93/61/269969361.db2.gz AYXICIZFJNHATF-INIZCTEOSA-N -1 0 326.396 3.087 20 30 EGEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(F)c1C ZINC000174686792 265064959 /nfs/dbraw/zinc/06/49/59/265064959.db2.gz LSWAZCLXADVLHB-UHFFFAOYSA-N -1 0 334.372 3.205 20 30 EGEDRM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccccc1C#N ZINC000174736848 265067679 /nfs/dbraw/zinc/06/76/79/265067679.db2.gz MJRZOYOQICLALY-UHFFFAOYSA-N -1 0 340.408 3.053 20 30 EGEDRM CC(=Cc1cccc(OCCCC#N)c1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000193608095 265552289 /nfs/dbraw/zinc/55/22/89/265552289.db2.gz HRFOZBOTTPOABE-JLHYYAGUSA-N -1 0 334.379 3.193 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)cc1[O-] ZINC000188735009 265704880 /nfs/dbraw/zinc/70/48/80/265704880.db2.gz PMGVNYBTMLMSGM-UHFFFAOYSA-N -1 0 328.278 3.330 20 30 EGEDRM CCCc1n[n-]c(=NC(=O)N(C)[C@@H](C)c2cccc(C#N)c2)s1 ZINC000425623737 267042692 /nfs/dbraw/zinc/04/26/92/267042692.db2.gz PSTZVOYPMGUGRR-NSHDSACASA-N -1 0 329.429 3.009 20 30 EGEDRM CC(C)(C)C[C@H]([N-]S(=O)(=O)Cc1ccc(C#N)cc1)C(F)(F)F ZINC000273615008 267068907 /nfs/dbraw/zinc/06/89/07/267068907.db2.gz QDLAKOOKUKISJR-ZDUSSCGKSA-N -1 0 348.390 3.345 20 30 EGEDRM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000179029038 267289039 /nfs/dbraw/zinc/28/90/39/267289039.db2.gz VAJWUXXKJHHQCB-UHFFFAOYSA-N -1 0 326.299 3.085 20 30 EGEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccccc1OCC1CC1 ZINC000524853575 268030364 /nfs/dbraw/zinc/03/03/64/268030364.db2.gz VOZMPCGWLUGIRX-UHFFFAOYSA-N -1 0 342.420 3.456 20 30 EGEDRM N#Cc1c(F)cccc1CSc1n[n-]c(=NCC(F)(F)F)s1 ZINC000488236782 268164807 /nfs/dbraw/zinc/16/48/07/268164807.db2.gz YABCOEPUOOCBRW-UHFFFAOYSA-N -1 0 348.350 3.237 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ncc(C3CCCCC3)s2)cn1 ZINC000272955747 268209387 /nfs/dbraw/zinc/20/93/87/268209387.db2.gz YPECIZZTQGRNIO-UHFFFAOYSA-N -1 0 348.453 3.258 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3cnco3)cc2)s1 ZINC000435497496 268260482 /nfs/dbraw/zinc/26/04/82/268260482.db2.gz PSXWLQHHQQNPEW-UHFFFAOYSA-N -1 0 331.378 3.076 20 30 EGEDRM CCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2OC)c(C)c1 ZINC000184815588 275213750 /nfs/dbraw/zinc/21/37/50/275213750.db2.gz FVSAXBQBXRKUFI-UHFFFAOYSA-N -1 0 346.408 3.075 20 30 EGEDRM N#Cc1cncc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)cc2)c1 ZINC000290496709 276502909 /nfs/dbraw/zinc/50/29/09/276502909.db2.gz HJFWNBUYTTWEPF-UHFFFAOYSA-N -1 0 343.408 3.075 20 30 EGEDRM CC(=O)Nc1ccc(/C=C2/CCc3oc(C(=O)[O-])c(C)c3C2=O)cc1 ZINC000041575025 278186977 /nfs/dbraw/zinc/18/69/77/278186977.db2.gz IMJQIEWCPZHHSF-LCYFTJDESA-N -1 0 339.347 3.457 20 30 EGEDRM Cc1cc(C)c2ncc(C#N)c(N3C[C@@H]4CCC[C@@]4(C(=O)[O-])C3)c2c1 ZINC000263569223 301214075 /nfs/dbraw/zinc/21/40/75/301214075.db2.gz ZDRRDKTZFKYGJX-MGPUTAFESA-N -1 0 335.407 3.414 20 30 EGEDRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(C#N)cn2)cc1 ZINC000080764375 307435156 /nfs/dbraw/zinc/43/51/56/307435156.db2.gz YJMFJJBAYLCLDM-UHFFFAOYSA-N -1 0 329.425 3.442 20 30 EGEDRM Cc1cccc(S(=O)(=O)[N-]c2cccc(OC(F)F)c2)c1C#N ZINC000137271125 307716897 /nfs/dbraw/zinc/71/68/97/307716897.db2.gz MZPYALISIRLJJO-UHFFFAOYSA-N -1 0 338.335 3.269 20 30 EGEDRM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccccc2C#N)cc1C#N ZINC000152651849 307757114 /nfs/dbraw/zinc/75/71/14/307757114.db2.gz IFMXKYPMCSPZBL-UHFFFAOYSA-N -1 0 341.392 3.018 20 30 EGEDRM O=C(C=Cc1ccsc1)[N-]S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000058149931 454164777 /nfs/dbraw/zinc/16/47/77/454164777.db2.gz GTDQUKUPMFJBPE-DUXPYHPUSA-N -1 0 342.829 3.296 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)N2CC3(CCC3)[C@H]2C(C)C)cc1C#N ZINC000552722642 315229812 /nfs/dbraw/zinc/22/98/12/315229812.db2.gz WUCBLSUHCDZQKS-CYBMUJFWSA-N -1 0 331.441 3.031 20 30 EGEDRM COc1ccccc1[C@H](CC(C)C)NS(=O)(=O)c1ccc(C#N)o1 ZINC000553487060 315266384 /nfs/dbraw/zinc/26/63/84/315266384.db2.gz UZTXRAHJGJPBCB-HNNXBMFYSA-N -1 0 348.424 3.226 20 30 EGEDRM Cc1cc([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)ccc1C1CC1 ZINC000570574876 317076033 /nfs/dbraw/zinc/07/60/33/317076033.db2.gz OIEJHHJDMBDEML-UHFFFAOYSA-N -1 0 327.409 3.248 20 30 EGEDRM Cc1cccc(S(=O)(=O)[N-]c2nn(C(C)C)cc2C#N)c1Cl ZINC000180003515 323418500 /nfs/dbraw/zinc/41/85/00/323418500.db2.gz USCNCGVDWKFNTQ-UHFFFAOYSA-N -1 0 338.820 3.098 20 30 EGEDRM N#Cc1cnc2c(F)cc(F)cc2c1N1CCC[C@@H](CC(=O)[O-])C1 ZINC000576449337 324616927 /nfs/dbraw/zinc/61/69/27/324616927.db2.gz XDRFGAIBWFLHTH-JTQLQIEISA-N -1 0 331.322 3.076 20 30 EGEDRM O=C(N[C@@H]1CCC[C@H]1OC(F)F)c1cc(F)c(F)c([O-])c1F ZINC000330397218 457038375 /nfs/dbraw/zinc/03/83/75/457038375.db2.gz KYDGSJZMNRRWTF-HTQZYQBOSA-N -1 0 325.233 3.274 20 30 EGEDRM CC(C)c1csc(C(C#N)=C([O-])c2cccc3c2oc(=O)n3C)n1 ZINC000157776536 455230776 /nfs/dbraw/zinc/23/07/76/455230776.db2.gz UJIQPEKXRPJXJK-LLVKDONJSA-N -1 0 341.392 3.201 20 30 EGEDRM CC(C)OCc1ccc([N-]S(=O)(=O)c2ccc(C#N)s2)cc1 ZINC000435480868 458153210 /nfs/dbraw/zinc/15/32/10/458153210.db2.gz BNVAXIXMYWZUAI-UHFFFAOYSA-N -1 0 336.438 3.346 20 30 EGEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)CCCC(=O)[O-] ZINC000417744475 458367166 /nfs/dbraw/zinc/36/71/66/458367166.db2.gz DCXXZWOBXNJHHP-LBPRGKRZSA-N -1 0 335.429 3.267 20 30 EGEDRM CC(C)c1csc(C(C#N)=C([O-])c2cc(OC(F)F)n(C)n2)n1 ZINC000183729286 455324501 /nfs/dbraw/zinc/32/45/01/455324501.db2.gz FLQYNGPBAZRQIP-QMMMGPOBSA-N -1 0 340.355 3.091 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)NCCc2ccc(Cl)cc2)cc1C#N ZINC000027605261 453819438 /nfs/dbraw/zinc/81/94/38/453819438.db2.gz UXJBGIGEDSBNTD-UHFFFAOYSA-N -1 0 347.827 3.007 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)N(C)[C@@H](C)c2cccs2)cc1C#N ZINC000027608599 453819567 /nfs/dbraw/zinc/81/95/67/453819567.db2.gz XQKHLPXOOOFULF-VIFPVBQESA-N -1 0 333.438 3.275 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])C=Cc2ccccc2)n1 ZINC000067895686 453978764 /nfs/dbraw/zinc/97/87/64/453978764.db2.gz PFVDWFYEAGGMIO-MMQHEFTJSA-N -1 0 326.377 3.209 20 30 EGEDRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)C=Cc1ccccc1Cl ZINC000042291659 454004287 /nfs/dbraw/zinc/00/42/87/454004287.db2.gz VYOLDTQNJLJULV-BQYQJAHWSA-N -1 0 340.788 3.303 20 30 EGEDRM N#Cc1ccc(CS(=O)(=O)[N-]C(=O)C=Cc2ccccc2)cc1 ZINC000042311748 454005535 /nfs/dbraw/zinc/00/55/35/454005535.db2.gz JUBPLLSSSIWOTJ-ZHACJKMWSA-N -1 0 326.377 3.058 20 30 EGEDRM Cc1ccc(-c2cc([N-]S(=O)(=O)c3ccc(C#N)cc3)n[nH]2)s1 ZINC000086171134 454042683 /nfs/dbraw/zinc/04/26/83/454042683.db2.gz YYWJUUATCATASI-UHFFFAOYSA-N -1 0 344.421 3.119 20 30 EGEDRM CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000076936189 454050153 /nfs/dbraw/zinc/05/01/53/454050153.db2.gz OEUMWJCXWIXVAU-UHFFFAOYSA-N -1 0 334.372 3.205 20 30 EGEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C)c(F)c1 ZINC000057125780 454104016 /nfs/dbraw/zinc/10/40/16/454104016.db2.gz XHCWQTRVGPYCLI-UHFFFAOYSA-N -1 0 334.372 3.205 20 30 EGEDRM Cc1nscc1C([O-])=C(C#N)c1nc(-c2ccncc2)cs1 ZINC000184556857 455401339 /nfs/dbraw/zinc/40/13/39/455401339.db2.gz JDMMLQLBJVRFHH-NSHDSACASA-N -1 0 326.406 3.460 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)CC2CCCC2)cc1Cl ZINC000071883892 454241456 /nfs/dbraw/zinc/24/14/56/454241456.db2.gz UQPOMNACISVVAQ-UHFFFAOYSA-N -1 0 326.805 3.437 20 30 EGEDRM CCc1cc(C([O-])=C(C#N)c2nnc3n2CCCCC3)sc1C ZINC000078380297 454244361 /nfs/dbraw/zinc/24/43/61/454244361.db2.gz BGKDRVUEDNCSDT-ZDUSSCGKSA-N -1 0 328.441 3.427 20 30 EGEDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)C=Cc1ccccc1[N+](=O)[O-] ZINC000046927967 454301930 /nfs/dbraw/zinc/30/19/30/454301930.db2.gz LAYVGLRDDHROCK-ZHACJKMWSA-N -1 0 346.364 3.262 20 30 EGEDRM Cc1sc2[nH]c(CN(C)CC#N)nc(=O)c2c1-c1ccc(C)cc1 ZINC000120766042 454343917 /nfs/dbraw/zinc/34/39/17/454343917.db2.gz YIDSTGLEAPFMNR-UHFFFAOYSA-N -1 0 338.436 3.224 20 30 EGEDRM CCc1ccc(CN(C)C(=O)c2cc(C#N)c(SC)[n-]c2=O)cc1 ZINC000079135926 454372596 /nfs/dbraw/zinc/37/25/96/454372596.db2.gz RPNMSUWKJPCKGG-UHFFFAOYSA-N -1 0 341.436 3.215 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]C(=O)c2ccc(C(F)(F)F)nc2)c(C)o1 ZINC000097035221 454391561 /nfs/dbraw/zinc/39/15/61/454391561.db2.gz DXIJICHKGJYGHB-UHFFFAOYSA-N -1 0 348.302 3.004 20 30 EGEDRM CC(C)c1nn(C)c2sc(/C([O-])=N/c3nnc4ccccn43)cc12 ZINC000079634142 454455507 /nfs/dbraw/zinc/45/55/07/454455507.db2.gz BHVHAIOGJKYFMR-UHFFFAOYSA-N -1 0 340.412 3.437 20 30 EGEDRM C=CCN(C)Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1 ZINC000121606091 454456796 /nfs/dbraw/zinc/45/67/96/454456796.db2.gz AQRAQGDMZMBNLN-UHFFFAOYSA-N -1 0 329.400 3.409 20 30 EGEDRM N#CC(=C([O-])c1coc(-c2ccccc2)n1)c1nnc2n1CCCCC2 ZINC000121854651 454486049 /nfs/dbraw/zinc/48/60/49/454486049.db2.gz SFZCZMXSVUCJDD-CQSZACIVSA-N -1 0 347.378 3.150 20 30 EGEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1cccc(-c2nccs2)c1 ZINC000079830914 454486905 /nfs/dbraw/zinc/48/69/05/454486905.db2.gz VPFFUXQJFUWABC-UHFFFAOYSA-N -1 0 341.417 3.483 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)OCc2ccccc2)cc1 ZINC000048422575 454487964 /nfs/dbraw/zinc/48/79/64/454487964.db2.gz MKQFGXWVDLUTMC-AWEZNQCLSA-N -1 0 333.409 3.246 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2ccccc2NC(=O)NC(C)C)n1 ZINC000048787517 454516067 /nfs/dbraw/zinc/51/60/67/454516067.db2.gz XTCPCPACCIUXEW-ZDUSSCGKSA-N -1 0 342.424 3.472 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(O)c2)c(C(F)(F)F)c1 ZINC000134609856 454567616 /nfs/dbraw/zinc/56/76/16/454567616.db2.gz AANJPEBDQFISHU-UHFFFAOYSA-N -1 0 342.298 3.083 20 30 EGEDRM Cc1c(C(=O)[N-]S(=O)(=O)c2cccc(Cl)c2)cnn1C(C)C ZINC000092693373 454612747 /nfs/dbraw/zinc/61/27/47/454612747.db2.gz GYGFIYPLABJJMH-UHFFFAOYSA-N -1 0 341.820 3.119 20 30 EGEDRM O=C(C=Cc1ccnc(Cl)c1)[N-]S(=O)(=O)c1ccsc1 ZINC000092716117 454617207 /nfs/dbraw/zinc/61/72/07/454617207.db2.gz BNBQRSYIUVIVIY-OWOJBTEDSA-N -1 0 328.802 3.155 20 30 EGEDRM Cc1nc(C)c(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)s1 ZINC000176441517 454745236 /nfs/dbraw/zinc/74/52/36/454745236.db2.gz OWRBRIFBVJBZKL-UHFFFAOYSA-N -1 0 335.454 3.362 20 30 EGEDRM CCCCOc1ccccc1C=CC([O-])=C1C(=O)C=C(C)OC1=O ZINC000163335695 454840450 /nfs/dbraw/zinc/84/04/50/454840450.db2.gz RROXSTYXUZJNIB-QZEKMECESA-N -1 0 328.364 3.094 20 30 EGEDRM C=CCN(Cc1ccccc1F)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164324184 454879751 /nfs/dbraw/zinc/87/97/51/454879751.db2.gz JNTMFDFIKGMJKP-UHFFFAOYSA-N -1 0 330.315 3.268 20 30 EGEDRM CCOc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)cc1 ZINC000177993298 454925903 /nfs/dbraw/zinc/92/59/03/454925903.db2.gz DHVIBBRHICBLBJ-UHFFFAOYSA-N -1 0 336.800 3.411 20 30 EGEDRM CC(C)c1ccc(S(=O)(=O)[N-]c2nn(C(C)(C)C)cc2C#N)cc1 ZINC000178733299 454970827 /nfs/dbraw/zinc/97/08/27/454970827.db2.gz UEFZSVPXICBDST-UHFFFAOYSA-N -1 0 346.456 3.434 20 30 EGEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cnoc1-c1ccccc1 ZINC000179524928 455055494 /nfs/dbraw/zinc/05/54/94/455055494.db2.gz DTXJXHJJLZAVGH-UHFFFAOYSA-N -1 0 339.376 3.323 20 30 EGEDRM COc1ccc(C(C)(C)C/N=C/c2ccc(O)c(O)c2O)cc1OC ZINC000264355438 455198335 /nfs/dbraw/zinc/19/83/35/455198335.db2.gz IDSWHTDNSJYLHP-KEBDBYFISA-N -1 0 345.395 3.217 20 30 EGEDRM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000182993307 455205803 /nfs/dbraw/zinc/20/58/03/455205803.db2.gz SOHFLUQHCZNDDK-UHFFFAOYSA-N -1 0 336.800 3.411 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2ccn(-c3ccc(F)cc3F)n2)n1 ZINC000184278002 455367401 /nfs/dbraw/zinc/36/74/01/455367401.db2.gz DDQABUPXZBBPFR-NSHDSACASA-N -1 0 344.346 3.406 20 30 EGEDRM N#Cc1nc(NC(=O)c2ccc(C(F)(F)F)cc2Cl)[n-]c1C#N ZINC000182586811 455547676 /nfs/dbraw/zinc/54/76/76/455547676.db2.gz HZLDCRDEYRYVEC-UHFFFAOYSA-N -1 0 339.664 3.078 20 30 EGEDRM Cc1[nH]nc([N-]S(=O)(=O)c2cc(Cl)c(C)c(Cl)c2)c1C#N ZINC000185648312 455589335 /nfs/dbraw/zinc/58/93/35/455589335.db2.gz TXELCODGCZPSDY-UHFFFAOYSA-N -1 0 345.211 3.006 20 30 EGEDRM N#Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1c(F)cccc1F ZINC000192730790 455680442 /nfs/dbraw/zinc/68/04/42/455680442.db2.gz KSFDZNJSTHVUBY-UHFFFAOYSA-N -1 0 328.727 3.291 20 30 EGEDRM COc1ccc(C=C(C)c2nc(C)c(C#N)c(=O)[nH]2)cc1OC(F)F ZINC000193612025 455766613 /nfs/dbraw/zinc/76/66/13/455766613.db2.gz XJDJCAVIJYLTOG-RMKNXTFCSA-N -1 0 347.321 3.121 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2cn(-c3cccc(Cl)c3)nn2)n1 ZINC000187232960 455884738 /nfs/dbraw/zinc/88/47/38/455884738.db2.gz WJUOWDHUUIRFSY-GFCCVEGCSA-N -1 0 343.799 3.176 20 30 EGEDRM N#Cc1ccc(N2CCC(CCC(=O)[O-])CC2)c(Br)c1 ZINC000213212566 456023777 /nfs/dbraw/zinc/02/37/77/456023777.db2.gz KPZHPXXKMHMRGN-UHFFFAOYSA-N -1 0 337.217 3.402 20 30 EGEDRM C=CCC[C@H](NC(=O)CCc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000262849327 456063118 /nfs/dbraw/zinc/06/31/18/456063118.db2.gz HQNNSUVDGPOTRX-ZDUSSCGKSA-N -1 0 330.211 3.462 20 30 EGEDRM C=CCC[C@H](NC(=O)Cc1csc(-c2ccc(C)cc2)n1)C(=O)[O-] ZINC000262968585 456072221 /nfs/dbraw/zinc/07/22/21/456072221.db2.gz SJJIEEWCHSXXDU-HNNXBMFYSA-N -1 0 344.436 3.197 20 30 EGEDRM CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2cccs2)C1=O ZINC000298224721 456396858 /nfs/dbraw/zinc/39/68/58/456396858.db2.gz UEDHBGSNCCZBDF-INIZCTEOSA-N -1 0 337.445 3.064 20 30 EGEDRM C#CCC1(C(=O)Nc2cc(S(=O)(=O)CC)ccc2[O-])CCCCC1 ZINC000276422615 456476257 /nfs/dbraw/zinc/47/62/57/456476257.db2.gz DCDCCFLLJOLIMS-UHFFFAOYSA-N -1 0 349.452 3.098 20 30 EGEDRM Cc1c([N-]S(=O)(=O)c2ccc(C#N)o2)onc1C1CCCCC1 ZINC000291032763 456503372 /nfs/dbraw/zinc/50/33/72/456503372.db2.gz ZBDNYVGGIWJQEA-UHFFFAOYSA-N -1 0 335.385 3.296 20 30 EGEDRM CCc1c([N-]S(=O)(=O)c2ccc(C#N)cc2)cnn1CCC(C)C ZINC000276870378 456604561 /nfs/dbraw/zinc/60/45/61/456604561.db2.gz HKVAISCCEXDKFL-UHFFFAOYSA-N -1 0 346.456 3.164 20 30 EGEDRM Cc1cc(C(C#N)=C([O-])c2cc3cc([N+](=O)[O-])ccc3o2)nc(C)n1 ZINC000338320060 456767903 /nfs/dbraw/zinc/76/79/03/456767903.db2.gz CDZMWKUTWDINDJ-CYBMUJFWSA-N -1 0 336.307 3.238 20 30 EGEDRM [O-]/C(=N/[C@@H]1CCO[C@@]2(CCOC2)C1)Nc1nc2ccsc2s1 ZINC000329113822 456837302 /nfs/dbraw/zinc/83/73/02/456837302.db2.gz LMLCQPKFSDSWNI-OTYXRUKQSA-N -1 0 339.442 3.022 20 30 EGEDRM COCCOc1cncc(C([O-])=C(C#N)c2nc(C(C)C)cs2)c1 ZINC000338673846 456850798 /nfs/dbraw/zinc/85/07/98/456850798.db2.gz ISGXPDFXOGBMAV-CQSZACIVSA-N -1 0 345.424 3.177 20 30 EGEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)c(F)c1 ZINC000341360350 456855325 /nfs/dbraw/zinc/85/53/25/456855325.db2.gz NPVMJPXYHWPQRI-UHFFFAOYSA-N -1 0 334.347 3.126 20 30 EGEDRM Cn1c2ccccc2nc1[C@@H](C#N)C(=O)c1cncc(C(F)(F)F)c1 ZINC000344840021 456868638 /nfs/dbraw/zinc/86/86/38/456868638.db2.gz FXJOLGNGZQDANZ-LBPRGKRZSA-N -1 0 344.296 3.477 20 30 EGEDRM N#CCCSc1ccccc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000341804051 456951525 /nfs/dbraw/zinc/95/15/25/456951525.db2.gz YTHGFBORYNPTKH-UHFFFAOYSA-N -1 0 343.433 3.365 20 30 EGEDRM C=CCN(Cc1cccs1)C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000345805176 456996873 /nfs/dbraw/zinc/99/68/73/456996873.db2.gz KHTUZKOFIDRQAA-UHFFFAOYSA-N -1 0 331.393 3.040 20 30 EGEDRM C=CCOc1ccc(C(=O)Nc2ccc(OCC(=O)[O-])cc2C)cc1 ZINC000362608031 457003121 /nfs/dbraw/zinc/00/31/21/457003121.db2.gz HPDHZFPLPXXJFJ-UHFFFAOYSA-N -1 0 341.363 3.276 20 30 EGEDRM N#Cc1ccc(C2=CCN(C(=O)c3cc([O-])cc([N+](=O)[O-])c3)CC2)cc1 ZINC000356727341 457137914 /nfs/dbraw/zinc/13/79/14/457137914.db2.gz MIDMAIOTUFTEJQ-UHFFFAOYSA-N -1 0 349.346 3.102 20 30 EGEDRM C=CCOc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2)cc1OC ZINC000346961072 457192133 /nfs/dbraw/zinc/19/21/33/457192133.db2.gz BMARYMDBOLWZAZ-UHFFFAOYSA-N -1 0 327.336 3.211 20 30 EGEDRM C=CCc1cc(C(=O)Nc2ccc(C(=O)[O-])cc2)cc(OC)c1OC ZINC000346990322 457194303 /nfs/dbraw/zinc/19/43/03/457194303.db2.gz VJZHUEMDILOXIK-UHFFFAOYSA-N -1 0 341.363 3.383 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc3c(s2)CCC3)n1 ZINC000354692321 457311578 /nfs/dbraw/zinc/31/15/78/457311578.db2.gz ZVGXOWZHIBAVCJ-SNVBAGLBSA-N -1 0 346.433 3.360 20 30 EGEDRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N[C@@H]3CCC[C@H]3C#N)n2)c1 ZINC000332142165 457312237 /nfs/dbraw/zinc/31/22/37/457312237.db2.gz NSPMEZJUUUQFBE-GOEBONIOSA-N -1 0 338.411 3.123 20 30 EGEDRM CCC(CC)n1ncc(C([O-])=C(C#N)c2cc(C)nc(C)n2)c1C ZINC000339886602 457312785 /nfs/dbraw/zinc/31/27/85/457312785.db2.gz XLUUBDLJRKQYSX-OAHLLOKOSA-N -1 0 325.416 3.450 20 30 EGEDRM C=CCn1c(=N)[n-]nc1SCc1coc(-c2ccc(C)cc2)n1 ZINC000339945980 457315765 /nfs/dbraw/zinc/31/57/65/457315765.db2.gz GFJCZMIKLLDYLX-UHFFFAOYSA-N -1 0 327.413 3.132 20 30 EGEDRM CC(=Cc1cc(O)cc(C(F)(F)F)c1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000357087770 457315884 /nfs/dbraw/zinc/31/58/84/457315884.db2.gz WYURYJIPMAWZSY-BAQGIRSFSA-N -1 0 335.285 3.235 20 30 EGEDRM CCCn1ccc2cc([N-]S(=O)(=O)c3cncc(C#N)c3)ccc21 ZINC000357104464 457325134 /nfs/dbraw/zinc/32/51/34/457325134.db2.gz LASBFDZQLCYJLX-UHFFFAOYSA-N -1 0 340.408 3.119 20 30 EGEDRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N[C@@H]3CC[C@H](C#N)C3)n2)c1 ZINC000424965688 457389281 /nfs/dbraw/zinc/38/92/81/457389281.db2.gz KEOLKSNESXXDKT-DZGCQCFKSA-N -1 0 338.411 3.123 20 30 EGEDRM CC[C@@H](NS(=O)(=O)c1c(F)cc(C#N)cc1F)c1ccccc1 ZINC000342601409 457393244 /nfs/dbraw/zinc/39/32/44/457393244.db2.gz VHRDSOGNTNIZHM-OAHLLOKOSA-N -1 0 336.363 3.266 20 30 EGEDRM CC(C)(C)c1nc(=NC(=O)C[C@H](CC#N)c2ccccc2)s[n-]1 ZINC000355607309 457393966 /nfs/dbraw/zinc/39/39/66/457393966.db2.gz MZRJJPQRIIFYDO-ZDUSSCGKSA-N -1 0 328.441 3.284 20 30 EGEDRM N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CC[C@H]3CCC[C@@H]3C2)c(F)c1 ZINC000342611281 457401491 /nfs/dbraw/zinc/40/14/91/457401491.db2.gz XIHBJDGSAXMALM-JHJVBQTASA-N -1 0 340.395 3.084 20 30 EGEDRM Cc1cc(C(F)(F)F)ncc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000357335828 457456288 /nfs/dbraw/zinc/45/62/88/457456288.db2.gz CQTWUTOQCCAXEO-UHFFFAOYSA-N -1 0 341.314 3.081 20 30 EGEDRM CC[C@@H](C)n1nc([N-]S(=O)(=O)c2cccc(C)c2C#N)cc1C ZINC000342786539 457527130 /nfs/dbraw/zinc/52/71/30/457527130.db2.gz WTQDWULGQOAWKF-GFCCVEGCSA-N -1 0 332.429 3.143 20 30 EGEDRM C[C@@H](c1cccc(C#N)c1)N(C)C(=O)N=c1ccc(C(F)(F)F)n[n-]1 ZINC000425670228 457627170 /nfs/dbraw/zinc/62/71/70/457627170.db2.gz QZCDLDCXRXXGQE-JTQLQIEISA-N -1 0 349.316 3.014 20 30 EGEDRM Cc1cn2cc(C([O-])=C(C#N)c3cnc4ccccc4n3)sc2n1 ZINC000361530543 457773010 /nfs/dbraw/zinc/77/30/10/457773010.db2.gz YXRPIFIDXSNHHF-NSHDSACASA-N -1 0 333.376 3.138 20 30 EGEDRM N#CC(=C([O-])c1c[nH]nc1-c1cc2ccccc2o1)c1ccncn1 ZINC000444455023 457900055 /nfs/dbraw/zinc/90/00/55/457900055.db2.gz RFBQBVBDJFHBJJ-GFCCVEGCSA-N -1 0 329.319 3.103 20 30 EGEDRM CCCCCn1nc(C)cc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000361950668 457972944 /nfs/dbraw/zinc/97/29/44/457972944.db2.gz CMACFTHJGYKOQV-UHFFFAOYSA-N -1 0 332.429 3.054 20 30 EGEDRM Cc1nc(C(F)(F)F)sc1C([O-])=C(C#N)c1cc(C)nc(C)n1 ZINC000361960873 457980076 /nfs/dbraw/zinc/98/00/76/457980076.db2.gz YZGYHANJJNVDRR-SECBINFHSA-N -1 0 340.330 3.367 20 30 EGEDRM CC(=O)c1cc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)ccc1C ZINC000434559854 458018095 /nfs/dbraw/zinc/01/80/95/458018095.db2.gz XSVCNBSPSAIMBQ-OAHLLOKOSA-N -1 0 332.363 3.267 20 30 EGEDRM Cn1cc(C([O-])=C(C#N)c2nc3ccccc3n2C)c(-c2ccoc2)n1 ZINC000434620658 458024776 /nfs/dbraw/zinc/02/47/76/458024776.db2.gz YVCPXEAYHPSRIU-ZDUSSCGKSA-N -1 0 345.362 3.057 20 30 EGEDRM N#CC(=C([O-])c1c[nH]nc1-c1ccoc1)c1cnc2ccccc2n1 ZINC000434649066 458029745 /nfs/dbraw/zinc/02/97/45/458029745.db2.gz STWKIDIVECWTOZ-GFCCVEGCSA-N -1 0 329.319 3.103 20 30 EGEDRM COc1ccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)cn1 ZINC000358654506 458132785 /nfs/dbraw/zinc/13/27/85/458132785.db2.gz UQCLBHGMHIHQNF-ZDUSSCGKSA-N -1 0 336.376 3.099 20 30 EGEDRM C=CCN=c1[n-]nc(S[C@H](C)c2noc(-c3ccccc3)n2)s1 ZINC000446068642 458138369 /nfs/dbraw/zinc/13/83/69/458138369.db2.gz RWOYIBPYXSMDIE-SNVBAGLBSA-N -1 0 345.453 3.461 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(OC(F)F)c2)s1 ZINC000435482511 458153503 /nfs/dbraw/zinc/15/35/03/458153503.db2.gz HVSWSQLTYMULBA-UHFFFAOYSA-N -1 0 330.337 3.022 20 30 EGEDRM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCCCCCC(=O)[O-] ZINC000414608732 458323547 /nfs/dbraw/zinc/32/35/47/458323547.db2.gz KHUUZSSMFRDLDR-SJORKVTESA-N -1 0 343.427 3.113 20 30 EGEDRM CCc1ccc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)cc1[N+](=O)[O-] ZINC000429573096 458347617 /nfs/dbraw/zinc/34/76/17/458347617.db2.gz KKLXNOGUQIYTDH-CYBMUJFWSA-N -1 0 349.350 3.227 20 30 EGEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000416936833 458356698 /nfs/dbraw/zinc/35/66/98/458356698.db2.gz CFUNIPLATGKSFD-CQSZACIVSA-N -1 0 331.397 3.263 20 30 EGEDRM N#Cc1cccc(C2(NC(=O)c3cc(F)cc(Cl)c3[O-])CC2)c1 ZINC000436681620 458359823 /nfs/dbraw/zinc/35/98/23/458359823.db2.gz NGFOOYRVXMXALA-UHFFFAOYSA-N -1 0 330.746 3.475 20 30 EGEDRM N#CCc1ccc(NC(=O)NC2CCC(C(=O)[O-])CC2)c(Cl)c1 ZINC000417777834 458367238 /nfs/dbraw/zinc/36/72/38/458367238.db2.gz RZKSWHHKFOSHMR-UHFFFAOYSA-N -1 0 335.791 3.171 20 30 EGEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)CCCC(=O)[O-] ZINC000417750250 458367573 /nfs/dbraw/zinc/36/75/73/458367573.db2.gz KLKWYMZUTMAVBW-GFCCVEGCSA-N -1 0 335.429 3.409 20 30 EGEDRM COCC(C)(C)CN=c1[n-]nc(SCc2ccc(C#N)cc2)s1 ZINC000447957443 458370511 /nfs/dbraw/zinc/37/05/11/458370511.db2.gz ZXPFGRBIDICIEX-UHFFFAOYSA-N -1 0 348.497 3.208 20 30 EGEDRM CC(C)(CC#N)CNC(=O)N=c1[n-]nc(-c2cccc(Cl)c2)s1 ZINC000459499460 458392604 /nfs/dbraw/zinc/39/26/04/458392604.db2.gz BASJOLKFPYOWGP-UHFFFAOYSA-N -1 0 349.847 3.342 20 30 EGEDRM C=CC1CCN(C(=O)c2cc(F)cc(Br)c2[O-])CC1 ZINC000436864331 458394872 /nfs/dbraw/zinc/39/48/72/458394872.db2.gz NNTNKZZQYHJFFC-UHFFFAOYSA-N -1 0 328.181 3.332 20 30 EGEDRM C=CCC[C@@H](NC(=O)c1ccc(OC2CCC2)cc1Cl)C(=O)[O-] ZINC000449000093 458418599 /nfs/dbraw/zinc/41/85/99/458418599.db2.gz ZXTWWWGKVRQGNE-OAHLLOKOSA-N -1 0 337.803 3.421 20 30 EGEDRM CC(C)(CCNC(=O)N[C@H](CCCC#N)c1ccccc1)C(=O)[O-] ZINC000424400664 458634312 /nfs/dbraw/zinc/63/43/12/458634312.db2.gz UTEUZLLJARNGLN-OAHLLOKOSA-N -1 0 331.416 3.222 20 30 EGEDRM C=CCN=c1[n-]nc(SCc2c(F)cc([N+](=O)[O-])cc2F)s1 ZINC000505443520 458743888 /nfs/dbraw/zinc/74/38/88/458743888.db2.gz JKMKAWCUPREIPQ-UHFFFAOYSA-N -1 0 344.368 3.037 20 30 EGEDRM C=CCOc1cccc([N-]S(=O)(=O)c2cccc3nsnc32)c1 ZINC000516237717 458815726 /nfs/dbraw/zinc/81/57/26/458815726.db2.gz MSSYFBPZNMSMAP-UHFFFAOYSA-N -1 0 347.421 3.057 20 30 EGEDRM C=CCN=c1[n-]nc(Sc2nc3ccccc3cc2[N+](=O)[O-])s1 ZINC000473517515 458832511 /nfs/dbraw/zinc/83/25/11/458832511.db2.gz ATTIFBOAAMOFIY-UHFFFAOYSA-N -1 0 345.409 3.166 20 30 EGEDRM C=C(C)COc1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000442351122 459004503 /nfs/dbraw/zinc/00/45/03/459004503.db2.gz NJSZETJGAVLOMQ-UHFFFAOYSA-N -1 0 348.380 3.351 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc3ccncc32)c(F)c1 ZINC000532292003 459061447 /nfs/dbraw/zinc/06/14/47/459061447.db2.gz OGKRKFIKCQXIEL-UHFFFAOYSA-N -1 0 327.340 3.046 20 30 EGEDRM N#CC(=C([O-])c1cc2ccncc2s1)c1nnc2n1CCCCC2 ZINC000567341608 459089330 /nfs/dbraw/zinc/08/93/30/459089330.db2.gz CPZOQZLIZJVLGM-GFCCVEGCSA-N -1 0 337.408 3.104 20 30 EGEDRM N#CC1(CNC(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)cc2)CCCCC1 ZINC000594689923 459130633 /nfs/dbraw/zinc/13/06/33/459130633.db2.gz BGJRCPKUDCHBMJ-CQSZACIVSA-N -1 0 349.818 3.239 20 30 EGEDRM C=CCCSCCNC(=O)N[C@H](C(=O)[O-])c1cccc(C)c1C ZINC000594690645 459131803 /nfs/dbraw/zinc/13/18/03/459131803.db2.gz MONMSKHBTINZGB-HNNXBMFYSA-N -1 0 336.457 3.038 20 30 EGEDRM CC[C@](NC(=O)NCC1(C#N)CCCCC1)(C(=O)[O-])c1ccccc1 ZINC000594689968 459131886 /nfs/dbraw/zinc/13/18/86/459131886.db2.gz CQYKQXKFHSCBOH-LJQANCHMSA-N -1 0 343.427 3.150 20 30 EGEDRM COC(=O)Nc1cccc(NC(=O)c2ccc(C#N)c([O-])c2)c1C ZINC000496391211 459176013 /nfs/dbraw/zinc/17/60/13/459176013.db2.gz FEJVBNAZFXFSMO-UHFFFAOYSA-N -1 0 325.324 3.003 20 30 EGEDRM C=CCOc1cccc(NC(=O)N[C@@H](C(=O)[O-])C2CCCCC2)c1 ZINC000578461984 459205701 /nfs/dbraw/zinc/20/57/01/459205701.db2.gz MJFJGDDWIPEHOG-MRXNPFEDSA-N -1 0 332.400 3.406 20 30 EGEDRM C=CCC[C@@H](NC(=O)Nc1ccc(C)c(OC(F)F)c1)C(=O)[O-] ZINC000580409673 459260020 /nfs/dbraw/zinc/26/00/20/459260020.db2.gz CQPXFFQWZICJLO-LLVKDONJSA-N -1 0 328.315 3.137 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2cnc(-c3cccnc3)s2)n1 ZINC000534187074 459298125 /nfs/dbraw/zinc/29/81/25/459298125.db2.gz APLMODKWRGXRJU-NSHDSACASA-N -1 0 326.406 3.460 20 30 EGEDRM C=C(C)[C@@H]1OCC[C@@H]1CN=c1[n-]nc(Cc2ccc(F)cc2)s1 ZINC000569383819 459443221 /nfs/dbraw/zinc/44/32/21/459443221.db2.gz YXNMTKPQKKXIDD-CJNGLKHVSA-N -1 0 333.432 3.083 20 30 EGEDRM CCCCN1CCc2ccc([N-]S(=O)(=O)c3ccc(C#N)o3)cc21 ZINC000569404411 459444897 /nfs/dbraw/zinc/44/48/97/459444897.db2.gz ROYYFNZTKHTEMY-UHFFFAOYSA-N -1 0 345.424 3.115 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2cnnn2-c2ccccc2Cl)n1 ZINC000591861808 459456836 /nfs/dbraw/zinc/45/68/36/459456836.db2.gz FFWSGDONBNVNOR-JTQLQIEISA-N -1 0 343.799 3.176 20 30 EGEDRM C=CCN(C(=O)N=c1nc(-c2ccccc2Cl)[n-]s1)C1CC1 ZINC000541799357 459492771 /nfs/dbraw/zinc/49/27/71/459492771.db2.gz VVWHUUKEPZPZNO-UHFFFAOYSA-N -1 0 334.832 3.463 20 30 EGEDRM N#CCCCOc1cccc(N=c2nc(C3CCOCC3)[n-]s2)c1 ZINC000596088881 459516432 /nfs/dbraw/zinc/51/64/32/459516432.db2.gz UYXLRGIBQYENAF-UHFFFAOYSA-N -1 0 344.440 3.280 20 30 EGEDRM CC1(C)Cc2cccc([N-]S(=O)(=O)c3ccc(C#N)s3)c2O1 ZINC000562432968 459560824 /nfs/dbraw/zinc/56/08/24/459560824.db2.gz ZFNKEVGNSJAXCS-UHFFFAOYSA-N -1 0 334.422 3.134 20 30 EGEDRM CCc1ccc([C@@H](C#N)NC(=O)c2nn(-c3ccccc3)cc2[O-])cc1 ZINC000489967103 459573398 /nfs/dbraw/zinc/57/33/98/459573398.db2.gz YFWBSMKMBDHAGA-QGZVFWFLSA-N -1 0 346.390 3.135 20 30 EGEDRM O=C([O-])[C@H]1CC[C@@H](NC(=O)c2ccc(C#Cc3ccccc3)cc2)C1 ZINC000584210336 459680236 /nfs/dbraw/zinc/68/02/36/459680236.db2.gz SMTQIRLUQDSXQU-RBUKOAKNSA-N -1 0 333.387 3.070 20 30 EGEDRM C=CCCCCCNS(=O)(=O)c1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000563433947 459765005 /nfs/dbraw/zinc/76/50/05/459765005.db2.gz ZRKZRSXUKIGOLW-UHFFFAOYSA-N -1 0 339.457 3.074 20 30 EGEDRM C=CCC[C@@H](NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000565692631 459787544 /nfs/dbraw/zinc/78/75/44/459787544.db2.gz ZUEIDQBXJVXOCD-QGZVFWFLSA-N -1 0 345.420 3.051 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2n[nH]c(-c3ccc4ccccc4n3)n2)cc1 ZINC000609092085 459902835 /nfs/dbraw/zinc/90/28/35/459902835.db2.gz WPAJAJNMHMSCNY-UHFFFAOYSA-N -1 0 340.346 3.144 20 30 EGEDRM Cc1[n-][nH]c(=NC(=O)c2sc3cc(F)ccc3c2Cl)c1C#N ZINC000588716065 459974026 /nfs/dbraw/zinc/97/40/26/459974026.db2.gz POUPZASOSSOKCG-UHFFFAOYSA-N -1 0 334.763 3.271 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(CCC(F)(F)F)c2)o1 ZINC000588847636 459992335 /nfs/dbraw/zinc/99/23/35/459992335.db2.gz IIIIVIOTBSUXQA-UHFFFAOYSA-N -1 0 344.314 3.447 20 30 EGEDRM CCOc1ccc(Cn2[n-]c(C(C)(C)C)c(CCC#N)c2=O)nc1 ZINC000611145485 460295874 /nfs/dbraw/zinc/29/58/74/460295874.db2.gz CLWWOIBXLOOMDT-UHFFFAOYSA-N -1 0 328.416 3.184 20 30 EGEDRM N#CCc1cccc(S(=O)(=O)[N-]c2ccccc2OC(F)F)c1 ZINC000619461238 460362145 /nfs/dbraw/zinc/36/21/45/460362145.db2.gz AJPWQUKQDHIIGB-UHFFFAOYSA-N -1 0 338.335 3.155 20 30 EGEDRM Cc1cc(Cl)cc([N-]S(=O)(=O)c2cccc(CC#N)c2)c1O ZINC000619463077 460363457 /nfs/dbraw/zinc/36/34/57/460363457.db2.gz ZXYWZGBQZZPRJJ-UHFFFAOYSA-N -1 0 336.800 3.221 20 30 EGEDRM CC(C)(C)c1nc(=NC(=O)NCc2ccc(C#N)c(Cl)c2)s[n-]1 ZINC000619787975 460443996 /nfs/dbraw/zinc/44/39/96/460443996.db2.gz PHEFWNZGASMLNJ-UHFFFAOYSA-N -1 0 349.847 3.104 20 30 EGEDRM CC(C)C[C@@](C)(CC(=O)[O-])C(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000601980903 460968208 /nfs/dbraw/zinc/96/82/08/460968208.db2.gz BLCJGSJINATKMF-KRWDZBQOSA-N -1 0 336.819 3.355 20 30 EGEDRM C[C@H](S[C@@H](C)C(=O)Nc1scc(C(C)(C)C)c1C#N)C(=O)[O-] ZINC000601994347 460977089 /nfs/dbraw/zinc/97/70/89/460977089.db2.gz QLATWHLBIFWEHO-IUCAKERBSA-N -1 0 340.470 3.451 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)[C@@H](C)c1ccc(Br)cc1)C(=O)[O-] ZINC000630319935 461094607 /nfs/dbraw/zinc/09/46/07/461094607.db2.gz LJEFXESJURJJSR-GXFFZTMASA-N -1 0 340.217 3.088 20 30 EGEDRM N#CC(=C([O-])c1cccc2[nH]c(=O)oc21)c1nc(C2CC2)cs1 ZINC000647378509 461669047 /nfs/dbraw/zinc/66/90/47/461669047.db2.gz BCQKJOUDKAQVQU-JTQLQIEISA-N -1 0 325.349 3.357 20 30 EGEDRM C=CCC[C@@H](NC(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000654792078 462383857 /nfs/dbraw/zinc/38/38/57/462383857.db2.gz XEYIOUAYBJYWHP-GXFFZTMASA-N -1 0 344.333 3.485 20 30 EGEDRM Cc1cc(C(C#N)=C([O-])c2cc(C3CC3)n(C(C)(C)C)n2)nc(C)n1 ZINC000049408097 525502361 /nfs/dbraw/zinc/50/23/61/525502361.db2.gz DSDXBELJRSITPJ-AWEZNQCLSA-N -1 0 337.427 3.412 20 30 EGEDRM O=C(CCc1cc(F)ccc1F)[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000058168298 527159021 /nfs/dbraw/zinc/15/90/21/527159021.db2.gz WKSOGAXBOGGETH-UHFFFAOYSA-N -1 0 343.326 3.382 20 30 EGEDRM O=C(c1ccc(F)cc1[O-])N1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000676761629 549144547 /nfs/dbraw/zinc/14/45/47/549144547.db2.gz MLTDVRKLQBRIPT-DTORHVGOSA-N -1 0 345.214 3.344 20 30 EGEDRM O=C(c1ccc(F)cc1[O-])N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 ZINC000676761631 549144567 /nfs/dbraw/zinc/14/45/67/549144567.db2.gz MLTDVRKLQBRIPT-IUCAKERBSA-N -1 0 345.214 3.344 20 30 EGEDRM N#Cc1ccc(-n2cc(C(=O)c3cc(F)ccc3[O-])cn2)cc1Cl ZINC000680015771 549805962 /nfs/dbraw/zinc/80/59/62/549805962.db2.gz FNPHHJUTZRCTFI-UHFFFAOYSA-N -1 0 341.729 3.473 20 30 EGEDRM CCOc1cnc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)cn1 ZINC000684675785 550354536 /nfs/dbraw/zinc/35/45/36/550354536.db2.gz ORCZUSVULHJPKM-JTQLQIEISA-N -1 0 330.413 3.119 20 30 EGEDRM Cc1c(NN=Cc2cccc(OCCC(=O)[O-])c2)cccc1[N+](=O)[O-] ZINC000727973161 574707924 /nfs/dbraw/zinc/70/79/24/574707924.db2.gz DWSDLKWMGNOSAA-UHFFFAOYSA-N -1 0 343.339 3.203 20 30 EGEDRM N#Cc1cc(NC(=O)c2cc3ccccc3s2)ccc1-c1nn[nH]n1 ZINC000737708157 574744414 /nfs/dbraw/zinc/74/44/14/574744414.db2.gz DDHYGNGCQKFIEM-UHFFFAOYSA-N -1 0 346.375 3.205 20 30 EGEDRM COc1cc(/C=C/C(=O)c2csc(C(=O)[O-])c2)cc(OC)c1O ZINC000730150339 574925953 /nfs/dbraw/zinc/92/59/53/574925953.db2.gz RRVUMSBKTSDADM-ONEGZZNKSA-N -1 0 334.349 3.065 20 30 EGEDRM C[C@H](NN=Cc1ccc(OC(F)(F)C(=O)[O-])cc1)c1ccccc1 ZINC000730727882 575013326 /nfs/dbraw/zinc/01/33/26/575013326.db2.gz BFFJACUZBPBKLL-LBPRGKRZSA-N -1 0 334.322 3.428 20 30 EGEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1csc(-c2ccoc2)n1 ZINC000731135586 575056497 /nfs/dbraw/zinc/05/64/97/575056497.db2.gz DUXOHFOUAIQMOS-CYBMUJFWSA-N -1 0 343.408 3.174 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@H](C)c2ccccc2F)n1 ZINC000731390134 575071824 /nfs/dbraw/zinc/07/18/24/575071824.db2.gz LDRVQOYHBYVROD-DGCLKSJQSA-N -1 0 346.383 3.114 20 30 EGEDRM C[C@H]1C[C@H]1c1ccc(C=Nn2c(=O)c3ccccc3[n-]c2=S)o1 ZINC000732769461 575287109 /nfs/dbraw/zinc/28/71/09/575287109.db2.gz IZFGHRNMIIJDNN-GXFFZTMASA-N -1 0 325.393 3.284 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2coc3ccccc32)n1 ZINC000733599915 575371369 /nfs/dbraw/zinc/37/13/69/575371369.db2.gz JQNNISRYENBZLM-GFCCVEGCSA-N -1 0 340.360 3.231 20 30 EGEDRM C=CCN(CC=C)C(=O)[C@@H](C)Sc1nc2ccc(C(=O)[O-])cc2o1 ZINC000736108301 575897054 /nfs/dbraw/zinc/89/70/54/575897054.db2.gz SQUWIZQGNJADEW-LLVKDONJSA-N -1 0 346.408 3.207 20 30 EGEDRM C#Cc1cccc(N(CC)C(=O)Cn2cc(C(=O)[O-])c3ccccc32)c1 ZINC000736090756 575898495 /nfs/dbraw/zinc/89/84/95/575898495.db2.gz JPVUXFIHTNBUAV-UHFFFAOYSA-N -1 0 346.386 3.374 20 30 EGEDRM C=CCCCN(C)C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000736097296 575899247 /nfs/dbraw/zinc/89/92/47/575899247.db2.gz DODXTEMLXYPWFH-UHFFFAOYSA-N -1 0 328.315 3.416 20 30 EGEDRM C=CCOc1ccccc1CNC(=O)c1cccc(NC(=O)[O-])c1 ZINC000736114333 575900745 /nfs/dbraw/zinc/90/07/45/575900745.db2.gz SOZPUMCPJPCJGV-UHFFFAOYSA-N -1 0 326.352 3.271 20 30 EGEDRM C=CCn1c(SCc2cc(C(=O)[O-])co2)nnc1-c1ccncc1 ZINC000736118295 575901441 /nfs/dbraw/zinc/90/14/41/575901441.db2.gz SVYLUBVYEMSDJA-UHFFFAOYSA-N -1 0 342.380 3.110 20 30 EGEDRM CCOc1cc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)ccc1C ZINC000737192232 576132356 /nfs/dbraw/zinc/13/23/56/576132356.db2.gz DYHBZMFCCVKOTB-QGZVFWFLSA-N -1 0 339.347 3.248 20 30 EGEDRM CCOc1ccc(O)c(/C=N\[C@H](CC(=O)[O-])c2ccc(OC)cc2)c1 ZINC000737203170 576135530 /nfs/dbraw/zinc/13/55/30/576135530.db2.gz JXGDBISSKCUBKO-SYERDGIWSA-N -1 0 343.379 3.434 20 30 EGEDRM COc1cc(C#N)ccc1OCCOc1ccc(NC(=O)[O-])cc1 ZINC000737844745 576266953 /nfs/dbraw/zinc/26/69/53/576266953.db2.gz SZJRGMRBFWEKOJ-UHFFFAOYSA-N -1 0 328.324 3.115 20 30 EGEDRM COc1cc(C#N)ccc1OCCOc1ccc(Cl)cc1C(=O)[O-] ZINC000737844088 576267110 /nfs/dbraw/zinc/26/71/10/576267110.db2.gz HNJFAPLKHMNALQ-UHFFFAOYSA-N -1 0 347.754 3.376 20 30 EGEDRM Cc1c(C(=O)/C=C\c2ccoc2C(=O)[O-])cnn1-c1ccc(C#N)cc1 ZINC000738252526 576306278 /nfs/dbraw/zinc/30/62/78/576306278.db2.gz DVYYOLIAZPXBPX-DAXSKMNVSA-N -1 0 347.330 3.240 20 30 EGEDRM N#Cc1ccc(SCC(=O)Nc2ccc(NC(=O)[O-])cc2)cc1 ZINC000738434342 576325785 /nfs/dbraw/zinc/32/57/85/576325785.db2.gz ATQZMHAJPZXBGL-UHFFFAOYSA-N -1 0 327.365 3.379 20 30 EGEDRM Cc1ccc(N(CCC#N)C(=O)CSC[C@H](C)C(=O)[O-])cc1C ZINC000738609084 576341653 /nfs/dbraw/zinc/34/16/53/576341653.db2.gz XDQNUNBSPKWUPP-AWEZNQCLSA-N -1 0 334.441 3.004 20 30 EGEDRM N#CCN(CC(=O)[O-])C(=O)c1cc(-c2ccccc2)ccc1Cl ZINC000739078508 576377010 /nfs/dbraw/zinc/37/70/10/576377010.db2.gz IDXBKGSGUFUZMM-UHFFFAOYSA-N -1 0 328.755 3.057 20 30 EGEDRM N#CCOc1cccc(NC(=O)Nc2cccc(NC(=O)[O-])c2)c1 ZINC000739088450 576377378 /nfs/dbraw/zinc/37/73/78/576377378.db2.gz REEBPYBRNYPQJQ-UHFFFAOYSA-N -1 0 326.312 3.323 20 30 EGEDRM N#CCc1cccc(C(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000739090908 576377443 /nfs/dbraw/zinc/37/74/43/576377443.db2.gz ABYKKTRYRDIGSH-HNNXBMFYSA-N -1 0 329.739 3.389 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)C23CC4CC(CC(C4)C2)C3)C(=O)[O-])cc1 ZINC000739107353 576378370 /nfs/dbraw/zinc/37/83/70/576378370.db2.gz AOEBIAXOVMKDEA-SOZFHFLDSA-N -1 0 339.391 3.444 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)C(F)(F)c2ccccc2)C(=O)[O-])cc1 ZINC000739110971 576378507 /nfs/dbraw/zinc/37/85/07/576378507.db2.gz TVLABBUSSSNVCC-AWEZNQCLSA-N -1 0 331.274 3.019 20 30 EGEDRM N#Cc1ccc(CN2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)c(F)c1 ZINC000739117202 576378792 /nfs/dbraw/zinc/37/87/92/576378792.db2.gz BKQCNPHXGATACW-UHFFFAOYSA-N -1 0 349.365 3.435 20 30 EGEDRM N#Cc1ccc(CC(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000739117686 576378921 /nfs/dbraw/zinc/37/89/21/576378921.db2.gz MNZFWFHUTZIPAX-INIZCTEOSA-N -1 0 329.739 3.123 20 30 EGEDRM N#Cc1ccccc1/C=C/C(=O)N(CCC(=O)[O-])c1cccc(F)c1 ZINC000739139808 576379537 /nfs/dbraw/zinc/37/95/37/576379537.db2.gz KLKKGWOOMCDMQW-CMDGGOBGSA-N -1 0 338.338 3.218 20 30 EGEDRM O=C([O-])c1ccc(C=NNc2c(F)cc(F)cc2Br)o1 ZINC000740122408 576551392 /nfs/dbraw/zinc/55/13/92/576551392.db2.gz CBCFQRWEZIKTAR-UHFFFAOYSA-N -1 0 345.099 3.465 20 30 EGEDRM O=C([O-])c1ccccc1CN=Nc1ncnc2sc3c(c21)CCC3 ZINC000740240197 576568892 /nfs/dbraw/zinc/56/88/92/576568892.db2.gz OVRQDSFUYLMKRH-UHFFFAOYSA-N -1 0 338.392 3.324 20 30 EGEDRM COC(=O)C(C)(C)c1ccc(N=Cc2ccc(O)c(O)c2O)cc1 ZINC000741463575 576688449 /nfs/dbraw/zinc/68/84/49/576688449.db2.gz GUDJTSGNQCQFSJ-UHFFFAOYSA-N -1 0 329.352 3.005 20 30 EGEDRM COc1cc(/C=C/C(=O)c2cccc(O[C@@H](C)C(=O)[O-])c2)ccc1O ZINC000745021945 576838715 /nfs/dbraw/zinc/83/87/15/576838715.db2.gz VLKTXQPBYAOOER-WMADIVHISA-N -1 0 342.347 3.149 20 30 EGEDRM C=CCOc1ccc(Oc2c3ccccc3nnc2-c2nnn[n-]2)cc1 ZINC000819759420 599089392 /nfs/dbraw/zinc/08/93/92/599089392.db2.gz XFFBEVIJLMMKJT-UHFFFAOYSA-N -1 0 346.350 3.167 20 30 EGEDRM N#Cc1ccc(Oc2ccc(OC(=O)CSCC(=O)[O-])cc2)cc1 ZINC000819106504 597486707 /nfs/dbraw/zinc/48/67/07/597486707.db2.gz VTICSYGQNSONLQ-UHFFFAOYSA-N -1 0 343.360 3.074 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC000819856414 598223091 /nfs/dbraw/zinc/22/30/91/598223091.db2.gz INXNGNWMPLISTA-SFHVURJKSA-N -1 0 338.388 3.091 20 30 EGEDRM C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC000820107301 598226150 /nfs/dbraw/zinc/22/61/50/598226150.db2.gz GPFDKTAJDMZKRG-RFAUZJTJSA-N -1 0 343.210 3.045 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000819846858 598229794 /nfs/dbraw/zinc/22/97/94/598229794.db2.gz HGKWMVFOLWJEBS-CQSZACIVSA-N -1 0 328.290 3.125 20 30 EGEDRM Cc1nn(CCC(=O)[O-])c(C)c1C=NN=c1[nH]c2ccccc2s1 ZINC000738923212 600004001 /nfs/dbraw/zinc/00/40/01/600004001.db2.gz RMLXHZKSFDRNDF-UHFFFAOYSA-N -1 0 343.412 3.030 20 30 EGEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000263481425 600027482 /nfs/dbraw/zinc/02/74/82/600027482.db2.gz OCNGLTXOFFJUOL-UHFFFAOYSA-N -1 0 346.427 3.036 20 30 EGEDRM C=CCCCCCN(C)S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000825671645 600756296 /nfs/dbraw/zinc/75/62/96/600756296.db2.gz YJBQBKNDUZZGOP-UHFFFAOYSA-N -1 0 325.430 3.060 20 30 EGEDRM Cc1ccc(NC(=O)c2cc3ccccc3n2CC#N)cc1C(=O)[O-] ZINC000832948324 601067053 /nfs/dbraw/zinc/06/70/53/601067053.db2.gz ZXQFHCIZSQIRKY-UHFFFAOYSA-N -1 0 333.347 3.424 20 30 EGEDRM N#Cc1cccc(C(=O)N2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)[O-])c1 ZINC000833073904 601091446 /nfs/dbraw/zinc/09/14/46/601091446.db2.gz KBPVFMCYXPVJQZ-DLBZAZTESA-N -1 0 326.396 3.054 20 30 EGEDRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N(CCC#N)CC1CC1 ZINC000827042967 601126520 /nfs/dbraw/zinc/12/65/20/601126520.db2.gz ZUUZQLTWOMYQFM-UHFFFAOYSA-N -1 0 345.399 3.330 20 30 EGEDRM Cc1cc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)c(F)cc1F ZINC000832867955 601190119 /nfs/dbraw/zinc/19/01/19/601190119.db2.gz HGIZSXSOTZNTMC-HNNXBMFYSA-N -1 0 331.274 3.128 20 30 EGEDRM N#Cc1ccc(-c2nnc(COc3ccccc3NC(=O)[O-])o2)cc1 ZINC000833071271 601229801 /nfs/dbraw/zinc/22/98/01/601229801.db2.gz ZBXYKCBBEQTNNV-UHFFFAOYSA-N -1 0 336.307 3.277 20 30 EGEDRM C[C@@H](C(=O)[O-])[C@H](NC(=O)CCc1ccc(C#N)cc1)c1ccccc1 ZINC000826031317 601294882 /nfs/dbraw/zinc/29/48/82/601294882.db2.gz LXFQGGVYZBMHMJ-KUHUBIRLSA-N -1 0 336.391 3.069 20 30 EGEDRM N#Cc1cccc([C@H](Nc2cccc(N3CCCCC3=O)c2)C(=O)[O-])c1 ZINC000833074917 601299854 /nfs/dbraw/zinc/29/98/54/601299854.db2.gz GMZYDHJGSXQSHL-IBGZPJMESA-N -1 0 349.390 3.313 20 30 EGEDRM CC(C)=C[C@@H]1[C@H](C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)C1(C)C ZINC000826647647 601345515 /nfs/dbraw/zinc/34/55/15/601345515.db2.gz JAORGMACQQZHLB-OAGGEKHMSA-N -1 0 327.380 3.466 20 30 EGEDRM CCCc1nc(C)c(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)s1 ZINC000829571033 601349032 /nfs/dbraw/zinc/34/90/32/601349032.db2.gz ODHFFJKJDBCYHB-CQSZACIVSA-N -1 0 344.392 3.258 20 30 EGEDRM C[C@H](Cc1ccccc1F)C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000827592729 601353486 /nfs/dbraw/zinc/35/34/86/601353486.db2.gz TVSHVULZQKYLOF-PXAZEXFGSA-N -1 0 341.338 3.245 20 30 EGEDRM Cc1c(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cnc2ccccc12 ZINC000832853534 601355874 /nfs/dbraw/zinc/35/58/74/601355874.db2.gz IWDHDERETJDPMJ-GOSISDBHSA-N -1 0 346.342 3.398 20 30 EGEDRM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(C(=O)[O-])cc1 ZINC000821320333 601427449 /nfs/dbraw/zinc/42/74/49/601427449.db2.gz LUHXFXNPEARVQS-MSOLQXFVSA-N -1 0 334.375 3.297 20 30 EGEDRM C[C@@H]1CN(C(=O)c2ccccc2-c2ccccc2C#N)C[C@H]1C(=O)[O-] ZINC000828400934 601703870 /nfs/dbraw/zinc/70/38/70/601703870.db2.gz DEDIXYHAFGMIKQ-FZKQIMNGSA-N -1 0 334.375 3.018 20 30 EGEDRM CC(C)NC(=O)Nc1ccc(C(=O)/C=C/c2c[nH]c(C(=O)[O-])c2)cc1 ZINC000826976300 601791901 /nfs/dbraw/zinc/79/19/01/601791901.db2.gz QXBNDZJJGKWQLT-FPYGCLRLSA-N -1 0 341.367 3.139 20 30 EGEDRM N#Cc1ccccc1/C=C\C(=O)Oc1ccc(SCC(=O)[O-])cc1 ZINC000833075015 601878707 /nfs/dbraw/zinc/87/87/07/601878707.db2.gz JKBQZULTPQDTIW-YHYXMXQVSA-N -1 0 339.372 3.354 20 30 EGEDRM N#Cc1cc(NCc2cccc(C(=O)[O-])c2)nc2ccc([N+](=O)[O-])cc12 ZINC000833069570 601935117 /nfs/dbraw/zinc/93/51/17/601935117.db2.gz GTQOJKAABQYFIX-UHFFFAOYSA-N -1 0 348.318 3.325 20 30 EGEDRM C[C@H](CC#N)N(C)C(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000827212955 602000123 /nfs/dbraw/zinc/00/01/23/602000123.db2.gz HRGKFLBAVASXIO-MRVPVSSYSA-N -1 0 329.278 3.169 20 30 EGEDRM C#CCCNC(=O)Nc1cc(C(=O)[O-])ccc1OCc1ccccc1 ZINC000825608492 602111974 /nfs/dbraw/zinc/11/19/74/602111974.db2.gz AERVTPIJLRIGMM-UHFFFAOYSA-N -1 0 338.363 3.109 20 30 EGEDRM C=CCn1c(COc2ccc(C)cc2)nnc1S[C@H](CC)C(=O)[O-] ZINC000825711241 602238797 /nfs/dbraw/zinc/23/87/97/602238797.db2.gz VQMLFWQLEJTSSN-CQSZACIVSA-N -1 0 347.440 3.307 20 30 EGEDRM CN(C(=O)[O-])c1ccccc1C(=O)OCc1ccc(F)c(C#N)c1 ZINC000830520044 602267280 /nfs/dbraw/zinc/26/72/80/602267280.db2.gz ZPXORQUYNGMJKX-UHFFFAOYSA-N -1 0 328.299 3.169 20 30 EGEDRM Cn1cc(NC(=O)Nc2cccc(OCCCC#N)c2)cc1C(=O)[O-] ZINC000833049699 602372895 /nfs/dbraw/zinc/37/28/95/602372895.db2.gz SRNFLFLUJXAFSW-UHFFFAOYSA-N -1 0 342.355 3.050 20 30 EGEDRM Cc1sc(NC(=O)COc2cccc(F)c2C#N)c(C(=O)[O-])c1C ZINC000833758109 604530111 /nfs/dbraw/zinc/53/01/11/604530111.db2.gz NBZWVESMBOMAHC-UHFFFAOYSA-N -1 0 348.355 3.091 20 30 EGEDRM C=CCn1c(SCc2cccc(C(=O)[O-])c2C#N)nnc1C1CC1 ZINC000833380728 604550367 /nfs/dbraw/zinc/55/03/67/604550367.db2.gz NJLVUDBIRWAQNW-UHFFFAOYSA-N -1 0 340.408 3.204 20 30 EGEDRM CC(C)Oc1ccc(NC(=O)c2ccc(C(=O)[O-])s2)cc1C#N ZINC000827058662 604555162 /nfs/dbraw/zinc/55/51/62/604555162.db2.gz QHNSGMCSRGTBSJ-UHFFFAOYSA-N -1 0 330.365 3.357 20 30 EGEDRM Cc1cc([C@@H](C)OC(=O)/C=C/c2ccccc2C#N)oc1C(=O)[O-] ZINC000832875156 604560605 /nfs/dbraw/zinc/56/06/05/604560605.db2.gz MTGXPSGEVFYHIA-ABZNLYFFSA-N -1 0 325.320 3.476 20 30 EGEDRM C[C@@H]1CN(Cc2cccc(C(=O)[O-])c2C#N)c2ccc(F)cc2O1 ZINC000833630435 604611003 /nfs/dbraw/zinc/61/10/03/604611003.db2.gz SVJKTCFKPVQIOM-LLVKDONJSA-N -1 0 326.327 3.183 20 30 EGEDRM COc1ccc(N=NC(C)c2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000767795506 604641055 /nfs/dbraw/zinc/64/10/55/604641055.db2.gz COQADDGGBMDRNT-UHFFFAOYSA-N -1 0 329.312 3.138 20 30 EGEDRM CC(C)(C)c1nc(NC(=O)c2ccc(CC#N)cc2)sc1C(=O)[O-] ZINC000833450795 604770299 /nfs/dbraw/zinc/77/02/99/604770299.db2.gz JMVCSXIGEAFFIY-UHFFFAOYSA-N -1 0 343.408 3.457 20 30 EGEDRM O=C([O-])c1ccc(OCC#Cc2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000833321810 604784257 /nfs/dbraw/zinc/78/42/57/604784257.db2.gz NPWDSIPFLQDDRV-UHFFFAOYSA-N -1 0 331.711 3.377 20 30 EGEDRM C[C@@H](C#N)CNN=Cc1ccc(OCc2ccc(C(=O)[O-])cc2)cc1 ZINC000825966868 604791685 /nfs/dbraw/zinc/79/16/85/604791685.db2.gz OFYYDYOIBRAUBF-AWEZNQCLSA-N -1 0 337.379 3.047 20 30 EGEDRM C=CCCC(=O)COC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000833373265 604949641 /nfs/dbraw/zinc/94/96/41/604949641.db2.gz JBLPNPLPUAGNAK-UHFFFAOYSA-N -1 0 345.273 3.487 20 30 EGEDRM C[C@H](CC#N)NN=Cc1ccccc1OCc1ccc(C(=O)[O-])cc1 ZINC000827218523 604984422 /nfs/dbraw/zinc/98/44/22/604984422.db2.gz QYXAASUSUCLCEJ-CQSZACIVSA-N -1 0 337.379 3.189 20 30 EGEDRM C=CCn1c(S[C@@H](C(=O)[O-])C2CC2)nnc1-c1cccc(C)c1 ZINC000833380503 605069343 /nfs/dbraw/zinc/06/93/43/605069343.db2.gz IBDWUFHSVUGDDU-CQSZACIVSA-N -1 0 329.425 3.395 20 30 EGEDRM C=CCn1c(S[C@@H](C(=O)[O-])C2CC2)nnc1-c1ccc(OC)cc1 ZINC000833380763 605070393 /nfs/dbraw/zinc/07/03/93/605070393.db2.gz OKDYLTNUMWECDS-CQSZACIVSA-N -1 0 345.424 3.095 20 30 EGEDRM C=CCCC[C@@H](C)NC(=O)Nc1cc(C(=O)[O-])cc(OC)c1OC ZINC000833374394 605076486 /nfs/dbraw/zinc/07/64/86/605076486.db2.gz ZIPTXGUAQHCLTI-LLVKDONJSA-N -1 0 336.388 3.268 20 30 EGEDRM C=CCOc1cccnc1C(=O)O[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000833378257 605077079 /nfs/dbraw/zinc/07/70/79/605077079.db2.gz BZFQFYCUGVRRKW-OAHLLOKOSA-N -1 0 347.754 3.283 20 30 EGEDRM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C1CCC(C(=O)[O-])CC1 ZINC000833487002 605084595 /nfs/dbraw/zinc/08/45/95/605084595.db2.gz ZDQZGPMLEZZYCT-UHFFFAOYSA-N -1 0 342.439 3.434 20 30 EGEDRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)c1ccccc1 ZINC000833411204 605215403 /nfs/dbraw/zinc/21/54/03/605215403.db2.gz NFAPILZTVZEYST-RDTXWAMCSA-N -1 0 348.402 3.434 20 30 EGEDRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2ccc(C3(C#N)CC3)cc2)C1 ZINC000833417794 605233300 /nfs/dbraw/zinc/23/33/00/605233300.db2.gz FUZBFSWEQUHYIH-MRXNPFEDSA-N -1 0 340.423 3.205 20 30 EGEDRM C=CCCC[C@H](C)NS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000398053400 605249992 /nfs/dbraw/zinc/24/99/92/605249992.db2.gz CFPNQZABNNLNML-JTQLQIEISA-N -1 0 331.821 3.061 20 30 EGEDRM CCOc1ccc(C[C@@H](CNc2nccc(C)c2C#N)C(=O)[O-])cc1 ZINC000833664219 605377586 /nfs/dbraw/zinc/37/75/86/605377586.db2.gz MEPSBJRLPYMLFB-HNNXBMFYSA-N -1 0 339.395 3.016 20 30 EGEDRM CN(CC#Cc1ccc(Cl)cc1)c1ccc(OCC(=O)[O-])cc1 ZINC000833690778 605438012 /nfs/dbraw/zinc/43/80/12/605438012.db2.gz DFEBRFRCYPZAJU-UHFFFAOYSA-N -1 0 329.783 3.291 20 30 EGEDRM C=CCN(CCc1ccco1)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000833374510 605480196 /nfs/dbraw/zinc/48/01/96/605480196.db2.gz NLPPZFZFGVZUFK-UHFFFAOYSA-N -1 0 332.331 3.380 20 30 EGEDRM C[C@@H](Oc1ccc(CNc2ccc(F)cc2OCC#N)cc1)C(=O)[O-] ZINC000833540503 605550544 /nfs/dbraw/zinc/55/05/44/605550544.db2.gz LISJRJQQJOVMFY-GFCCVEGCSA-N -1 0 344.342 3.192 20 30 EGEDRM COc1ccc(O)cc1C(=O)/C=C\c1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC000794709933 605575342 /nfs/dbraw/zinc/57/53/42/605575342.db2.gz DQLUZHKJVIFFEM-DJTUGOFGSA-N -1 0 342.347 3.149 20 30 EGEDRM C=CCCC[C@@H](C)NC(=O)NCc1ccc(C(=O)[O-])c(C2CC2)n1 ZINC000833374095 605635724 /nfs/dbraw/zinc/63/57/24/605635724.db2.gz RJHAWBGMGSJFMX-GFCCVEGCSA-N -1 0 331.416 3.201 20 30 EGEDRM C=CCCOCC(=O)O[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000833374899 605713096 /nfs/dbraw/zinc/71/30/96/605713096.db2.gz MPWVWMKZSLQACO-ZDUSSCGKSA-N -1 0 333.167 3.255 20 30 EGEDRM C=C(C)[C@H](CC(=O)OCc1cc(C(=O)[O-])ccc1Cl)OCC ZINC000833368549 605819165 /nfs/dbraw/zinc/81/91/65/605819165.db2.gz KZGCEARZLHUNNT-AWEZNQCLSA-N -1 0 326.776 3.453 20 30 EGEDRM CC(C)c1nc(-c2nnn[n-]2)c(N=NCCCc2ccccc2)o1 ZINC000824353016 607886368 /nfs/dbraw/zinc/88/63/68/607886368.db2.gz UCRDKKFYQLWXPZ-UHFFFAOYSA-N -1 0 325.376 3.009 20 30 EGEDRM C[C@@H](CC(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000046927766 1291556834 /nfs/dbraw/zinc/55/68/34/1291556834.db2.gz UTJBUBPQHYODLP-LBPRGKRZSA-N -1 0 348.380 3.434 20 30 EGEDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000046928052 1291556951 /nfs/dbraw/zinc/55/69/51/1291556951.db2.gz SBSPMCCUCGFNPD-UHFFFAOYSA-N -1 0 341.335 3.290 20 30 EGEDRM O=C(Cc1cccc(F)c1)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000046928838 1291558014 /nfs/dbraw/zinc/55/80/14/1291558014.db2.gz PXJMTVOBNDXDDK-UHFFFAOYSA-N -1 0 333.793 3.429 20 30 EGEDRM Cc1cc(C(=O)[N-]S(=O)(=O)c2ccc(C)c(C)c2)nn1C(C)(C)C ZINC000048474822 1291607234 /nfs/dbraw/zinc/60/72/34/1291607234.db2.gz LRZHHEURENFGRJ-UHFFFAOYSA-N -1 0 349.456 3.257 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)CCc2ccc(C#N)cc2)cc1C ZINC000048474001 1291607241 /nfs/dbraw/zinc/60/72/41/1291607241.db2.gz VORSVIFHELGQKJ-UHFFFAOYSA-N -1 0 342.420 3.453 20 30 EGEDRM O=C([N-]S(=O)(=O)c1cccnc1)C1(c2ccc(F)cc2)CCCC1 ZINC000048531581 1291610591 /nfs/dbraw/zinc/61/05/91/1291610591.db2.gz MNRRBGOYVUKNKM-UHFFFAOYSA-N -1 0 348.399 3.378 20 30 EGEDRM CCCCS(=O)(=O)[N-]C(=O)c1cnn(-c2ccccc2)c1C1CC1 ZINC000048555604 1291611573 /nfs/dbraw/zinc/61/15/73/1291611573.db2.gz GTMPULXNSCSDHP-UHFFFAOYSA-N -1 0 347.440 3.184 20 30 EGEDRM Cc1ccc(C(=O)[N-]S(=O)(=O)c2c(Cl)cccc2Cl)n1C ZINC000048593515 1291612472 /nfs/dbraw/zinc/61/24/72/1291612472.db2.gz IWXNPFIXHXUAEM-UHFFFAOYSA-N -1 0 347.223 3.334 20 30 EGEDRM Cc1noc(C)c1CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000048615448 1291612999 /nfs/dbraw/zinc/61/29/99/1291612999.db2.gz UXEOIHCZVIFJNG-UHFFFAOYSA-N -1 0 348.424 3.058 20 30 EGEDRM O=C([N-]S(=O)(=O)C1CCCCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000058071722 1291877335 /nfs/dbraw/zinc/87/73/35/1291877335.db2.gz ORWMXDVNAROCOG-UHFFFAOYSA-N -1 0 346.792 3.215 20 30 EGEDRM COc1cc(Cl)ccc1C(=O)[N-]S(=O)(=O)C1CCCCC1 ZINC000058080630 1291877927 /nfs/dbraw/zinc/87/79/27/1291877927.db2.gz DSAPQDORSRAEDW-UHFFFAOYSA-N -1 0 331.821 3.316 20 30 EGEDRM C[C@H](Oc1ccc(F)c(F)c1)C(=O)[N-]S(=O)(=O)C1CCCCC1 ZINC000058080690 1291878098 /nfs/dbraw/zinc/87/80/98/1291878098.db2.gz JEOCHQUZWHHQQS-JTQLQIEISA-N -1 0 347.383 3.351 20 30 EGEDRM CCOc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(C)cc2C)cc1 ZINC000060498467 1291925636 /nfs/dbraw/zinc/92/56/36/1291925636.db2.gz NNMVHJFQULGOIV-UHFFFAOYSA-N -1 0 333.409 3.396 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)COCCc2ccccc2)cc1C ZINC000060765605 1291941163 /nfs/dbraw/zinc/94/11/63/1291941163.db2.gz XFJHHEOFRQJJGU-UHFFFAOYSA-N -1 0 347.436 3.208 20 30 EGEDRM CSC[C@H](C)C(=O)[N-]S(=O)(=O)N1c2ccccc2CC[C@H]1C ZINC000067004112 1292138610 /nfs/dbraw/zinc/13/86/10/1292138610.db2.gz RFMMJMXJQXICPD-NWDGAFQWSA-N -1 0 342.486 3.028 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2COc3ccccc32)c(C)c1 ZINC000073086934 1292305764 /nfs/dbraw/zinc/30/57/64/1292305764.db2.gz KINSTGMDAPLNGD-CQSZACIVSA-N -1 0 331.393 3.125 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@@H]2C)c(Br)c1 ZINC000075040592 1292380948 /nfs/dbraw/zinc/38/09/48/1292380948.db2.gz FEPRFBKKIGJDQT-IUCAKERBSA-N -1 0 332.219 3.059 20 30 EGEDRM COc1cccc(S(=O)(=O)[N-]C(=O)Cc2cc(C)ccc2C)c1 ZINC000076607790 1292433505 /nfs/dbraw/zinc/43/35/05/1292433505.db2.gz OXYAYKMAKZVLCO-UHFFFAOYSA-N -1 0 333.409 3.200 20 30 EGEDRM N#Cc1c(Cl)cccc1N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000828223105 1292443093 /nfs/dbraw/zinc/44/30/93/1292443093.db2.gz LQRDUZTVJPUZNC-JTQLQIEISA-N -1 0 345.752 3.107 20 30 EGEDRM COc1cc(/C=C/C(=O)c2ccc(O)cc2[O-])cc(OC)c1OC ZINC000082157171 1292677085 /nfs/dbraw/zinc/67/70/85/1292677085.db2.gz VVWYJICKNORSFC-QPJJXVBHSA-N -1 0 330.336 3.020 20 30 EGEDRM O=C([N-]S(=O)(=O)C1CCCC1)C1(c2ccc(F)cc2)CCC1 ZINC000086054963 1292727231 /nfs/dbraw/zinc/72/72/31/1292727231.db2.gz KUIVEPXCBILMCV-UHFFFAOYSA-N -1 0 325.405 3.476 20 30 EGEDRM N#Cc1ccc(CSCC(=O)[N-]S(=O)(=O)C2CCCC2)cc1 ZINC000086054534 1292727601 /nfs/dbraw/zinc/72/76/01/1292727601.db2.gz TZBWDPPECAWSKO-UHFFFAOYSA-N -1 0 338.454 3.020 20 30 EGEDRM C=CCCC(=O)[N-]S(=O)(=O)c1cc(OC)ccc1Br ZINC000086066650 1292728791 /nfs/dbraw/zinc/72/87/91/1292728791.db2.gz QYAOUTAIHVDHIV-UHFFFAOYSA-N -1 0 348.218 3.069 20 30 EGEDRM CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)c1cnc([C@H]2CCCO2)s1 ZINC000089970596 1292782540 /nfs/dbraw/zinc/78/25/40/1292782540.db2.gz YEONDEJDLUITED-GHMZBOCLSA-N -1 0 346.474 3.065 20 30 EGEDRM Cc1ccc(C([O-])=C(C#N)C(=O)NCc2ccccc2)cc1Cl ZINC000103329924 1293002708 /nfs/dbraw/zinc/00/27/08/1293002708.db2.gz LDPOATHLZYFUOR-OAHLLOKOSA-N -1 0 326.783 3.287 20 30 EGEDRM C=C(C)CON=C(C)c1cc(Br)ccc1OCC(=O)[O-] ZINC000844619941 1321626147 /nfs/dbraw/zinc/62/61/47/1321626147.db2.gz NRHOITLLSNROPQ-UHFFFAOYSA-N -1 0 342.189 3.229 20 30 EGEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)C=C(C)CC ZINC000835077092 1293202605 /nfs/dbraw/zinc/20/26/05/1293202605.db2.gz OIJYRVXRIXOIQG-AORWBKJGSA-N -1 0 330.384 3.056 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cnc(C(C)(C)C)s1 ZINC000119891037 1293292782 /nfs/dbraw/zinc/29/27/82/1293292782.db2.gz HESHODCLIBEFEK-LBPRGKRZSA-N -1 0 335.473 3.460 20 30 EGEDRM Cc1noc(C)c1CC(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21 ZINC000121090932 1293355046 /nfs/dbraw/zinc/35/50/46/1293355046.db2.gz ZGCYKKMAXHYHRP-OAHLLOKOSA-N -1 0 335.363 3.215 20 30 EGEDRM C=CC(C)(C)COC(=O)c1ccc2c(c1)[n-]c(=S)n(CC)c2=O ZINC000835723837 1293357769 /nfs/dbraw/zinc/35/77/69/1293357769.db2.gz BFKZQYNPRFTMFZ-UHFFFAOYSA-N -1 0 332.425 3.074 20 30 EGEDRM C=CCO[N-]C(=O)C(=O)Nc1ccc(C)c(OCC2CCCCC2)c1 ZINC000835971793 1293412506 /nfs/dbraw/zinc/41/25/06/1293412506.db2.gz PWPAOVAWTUMVNO-UHFFFAOYSA-N -1 0 346.427 3.126 20 30 EGEDRM C=CCO[N-]C(=O)C(=O)Nc1cccc(CSC2CCCC2)c1 ZINC000835972354 1293412630 /nfs/dbraw/zinc/41/26/30/1293412630.db2.gz VXLGQPJKVPCPJA-UHFFFAOYSA-N -1 0 334.441 3.035 20 30 EGEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1sc2ccccc2c1Cl ZINC000122995030 1293431485 /nfs/dbraw/zinc/43/14/85/1293431485.db2.gz PBXATFINLHCPAO-SNVBAGLBSA-N -1 0 343.795 3.494 20 30 EGEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(COc2ccccc2)cc1 ZINC000124466175 1293476215 /nfs/dbraw/zinc/47/62/15/1293476215.db2.gz PZSIOHDEEQSWCA-LJQANCHMSA-N -1 0 348.402 3.210 20 30 EGEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1cc2c(s1)CCCC2 ZINC000127256031 1293557156 /nfs/dbraw/zinc/55/71/56/1293557156.db2.gz QQZCNGGNFKPJLO-AWEZNQCLSA-N -1 0 330.453 3.398 20 30 EGEDRM CCCCOc1ccc(C([O-])=C(C#N)C(=O)NC(C)C)cc1OCC ZINC000130837247 1293671153 /nfs/dbraw/zinc/67/11/53/1293671153.db2.gz DFVLSJBZHOQUCC-HNNXBMFYSA-N -1 0 346.427 3.111 20 30 EGEDRM COc1cccc(O[C@H](C)C/N=C/c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000132393868 1293717357 /nfs/dbraw/zinc/71/73/57/1293717357.db2.gz VRXLQZAESIIZIU-MBNTZHJCSA-N -1 0 330.340 3.195 20 30 EGEDRM Cc1ccc2cc(C([O-])=C(C#N)C(=O)NC3CCCCC3)ccc2n1 ZINC000136584366 1293817687 /nfs/dbraw/zinc/81/76/87/1293817687.db2.gz YQJSJWBNKDWNSP-QGZVFWFLSA-N -1 0 335.407 3.315 20 30 EGEDRM COc1ccc(C(=O)/C=C/c2nccn2CC(F)(F)F)c([O-])c1 ZINC000156619738 1294152531 /nfs/dbraw/zinc/15/25/31/1294152531.db2.gz HCHIRWSUFXJDIH-SNAWJCMRSA-N -1 0 326.274 3.056 20 30 EGEDRM COc1cc(/C=C/C(=O)c2cc(F)ccc2[O-])c([N+](=O)[O-])cc1OC ZINC000156672597 1294154086 /nfs/dbraw/zinc/15/40/86/1294154086.db2.gz AITAHNDRQXIUTK-HWKANZROSA-N -1 0 347.298 3.353 20 30 EGEDRM CNC(=O)C(C#N)=C([O-])c1ccc(Oc2cccc(Cl)c2)cc1 ZINC000159812678 1294247587 /nfs/dbraw/zinc/24/75/87/1294247587.db2.gz CKOIFSDCRFBNIS-OAHLLOKOSA-N -1 0 328.755 3.201 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])c(/C=N/Cc2nnc(-c3ccccc3)s2)c1 ZINC000159834546 1294248871 /nfs/dbraw/zinc/24/88/71/1294248871.db2.gz XUVJOCGFMBXBRS-RQZCQDPDSA-N -1 0 340.364 3.438 20 30 EGEDRM CNC(=O)C(C#N)=C([O-])c1cc2c(s1)-c1ccccc1C(C)(C)C2 ZINC000170673106 1294376046 /nfs/dbraw/zinc/37/60/46/1294376046.db2.gz MKIWRKVOCCLFIG-ZDUSSCGKSA-N -1 0 338.432 3.317 20 30 EGEDRM CC(C)NC(=O)C(C#N)=C([O-])c1csc(-c2ccccc2Cl)n1 ZINC000171366453 1294404363 /nfs/dbraw/zinc/40/43/63/1294404363.db2.gz FUIGEXQMIWTRGA-LLVKDONJSA-N -1 0 347.827 3.311 20 30 EGEDRM Cc1ccc(Br)cc1C([O-])=C(C#N)C(=O)NC1CCCC1 ZINC000173998144 1294475962 /nfs/dbraw/zinc/47/59/62/1294475962.db2.gz SPKBILDYJZDUJF-AWEZNQCLSA-N -1 0 349.228 3.139 20 30 EGEDRM CCn1cc(Br)cc1C(=O)Nc1cc(C#N)ccc1[O-] ZINC000176404371 1294604298 /nfs/dbraw/zinc/60/42/98/1294604298.db2.gz CCWOMEFUCBRZET-UHFFFAOYSA-N -1 0 334.173 3.100 20 30 EGEDRM COc1ccc2c(c1)C(=O)/C(=C/c1cccc(OCCC(=O)[O-])c1)C2 ZINC000176937593 1294644385 /nfs/dbraw/zinc/64/43/85/1294644385.db2.gz SDFLETJOJKKVPK-OQLLNIDSSA-N -1 0 338.359 3.371 20 30 EGEDRM Cc1ccc(C([O-])=C(C#N)C(=O)NC2CCCC2)cc1Br ZINC000177605005 1294681970 /nfs/dbraw/zinc/68/19/70/1294681970.db2.gz LZINLDYQBLVSIX-ZDUSSCGKSA-N -1 0 349.228 3.139 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)c1ccc(COc2ccc(C)cc2C)o1 ZINC000191270604 1295663776 /nfs/dbraw/zinc/66/37/76/1295663776.db2.gz LLTGHQPPCUVQCA-UHFFFAOYSA-N -1 0 343.379 3.188 20 30 EGEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1ccc(SC(F)(F)F)o1 ZINC000870159941 1295711483 /nfs/dbraw/zinc/71/14/83/1295711483.db2.gz UNSQOIGQIHUMET-VIFPVBQESA-N -1 0 346.330 3.273 20 30 EGEDRM CCn1cc(C([O-])=C(C#N)C(=O)NCc2ccccc2)c2ccccc21 ZINC000193407741 1295863987 /nfs/dbraw/zinc/86/39/87/1295863987.db2.gz DPMCZIJKVIDZIG-KRWDZBQOSA-N -1 0 345.402 3.300 20 30 EGEDRM Cc1cc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)c(C)n1-c1cccc(C)c1 ZINC000194513502 1295984893 /nfs/dbraw/zinc/98/48/93/1295984893.db2.gz RYTQPZXERRKOQQ-UHFFFAOYSA-N -1 0 344.378 3.121 20 30 EGEDRM COc1cc(/C=C\C(=O)c2ccc(F)c(F)c2)cc([N+](=O)[O-])c1[O-] ZINC000211153399 1296103766 /nfs/dbraw/zinc/10/37/66/1296103766.db2.gz YXURSMDVCSJXPA-DJWKRKHSSA-N -1 0 335.262 3.483 20 30 EGEDRM O=C([O-])COc1cccc(C=NNc2nc3ccccc3s2)c1 ZINC000254790762 1296477383 /nfs/dbraw/zinc/47/73/83/1296477383.db2.gz JUGQOHPWZJBMBI-UHFFFAOYSA-N -1 0 327.365 3.206 20 30 EGEDRM Cn1c2ccccc2nc1C/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000255051301 1296492262 /nfs/dbraw/zinc/49/22/62/1296492262.db2.gz LOQQSJSZQKPDAI-LSCVHKIXSA-N -1 0 344.758 3.460 20 30 EGEDRM O=C1COc2cc(N=Cc3cc([N+](=O)[O-])ccc3[O-])c(Cl)cc2N1 ZINC000255279639 1296513152 /nfs/dbraw/zinc/51/31/52/1296513152.db2.gz HAIRNRKTBXNRSF-UHFFFAOYSA-N -1 0 347.714 3.035 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])c(/C=N\CCc2nc(C(F)(F)F)cs2)c1 ZINC000255588169 1296550669 /nfs/dbraw/zinc/55/06/69/1296550669.db2.gz LOWYXLMHGQAKTQ-FMQZQXMHSA-N -1 0 345.302 3.437 20 30 EGEDRM C=CCC[C@@H](NC(=O)C[C@H](c1ccccc1)C(F)(F)F)C(=O)[O-] ZINC000262923298 1296653303 /nfs/dbraw/zinc/65/33/03/1296653303.db2.gz OEKWMNGVIUWSKD-CHWSQXEVSA-N -1 0 329.318 3.258 20 30 EGEDRM C=CCC[C@@H](NC(=O)c1ccc(CCC(F)(F)F)cc1)C(=O)[O-] ZINC000262976367 1296654973 /nfs/dbraw/zinc/65/49/73/1296654973.db2.gz TXEIHSFPKAUBQN-CYBMUJFWSA-N -1 0 329.318 3.331 20 30 EGEDRM Cc1nn(C)c2nc(Cl)cc(N=NC3CC[C@@H](C(=O)[O-])C[C@@H]3C)c12 ZINC000872422735 1296953428 /nfs/dbraw/zinc/95/34/28/1296953428.db2.gz SFUFRYQFIXFNBG-WCBMZHEXSA-N -1 0 349.822 3.219 20 30 EGEDRM O=C([O-])c1ccc2c(c1)CCC/C(=C\c1cn(C3CCC3)nn1)C2=O ZINC000585138322 1298036827 /nfs/dbraw/zinc/03/68/27/1298036827.db2.gz DYYWIVCDBYDWAW-JLHYYAGUSA-N -1 0 337.379 3.304 20 30 EGEDRM N#Cc1cc(F)cc(NC(=O)c2ccc(Br)cc2[O-])c1 ZINC000720294775 1298325735 /nfs/dbraw/zinc/32/57/35/1298325735.db2.gz VNHTUSPWXRDEHG-UHFFFAOYSA-N -1 0 335.132 3.418 20 30 EGEDRM CCCN1c2ccccc2C(=N[N-]c2oc(C(C)C)nc2C#N)C1=O ZINC000745612017 1298430281 /nfs/dbraw/zinc/43/02/81/1298430281.db2.gz KMOXTOUGDXEWLF-UHFFFAOYSA-N -1 0 337.383 3.242 20 30 EGEDRM O=[N+]([O-])c1ccc(C=NNCc2ccc(C(F)(F)F)cc2)cc1[O-] ZINC000748133851 1298934098 /nfs/dbraw/zinc/93/40/98/1298934098.db2.gz RXCFLVCPEGXTCO-UHFFFAOYSA-N -1 0 339.273 3.443 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)c2sc(N3CCCC3)nc2Cl)c1 ZINC000748410242 1299002684 /nfs/dbraw/zinc/00/26/84/1299002684.db2.gz FOUAVRCHHTYRPP-UHFFFAOYSA-N -1 0 348.815 3.226 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)COCc2nc3ccccc3s2)c1 ZINC000748411343 1299004308 /nfs/dbraw/zinc/00/43/08/1299004308.db2.gz NZAXXDROTZWNJG-UHFFFAOYSA-N -1 0 339.376 3.029 20 30 EGEDRM O=C([O-])C(=O)/C(=C/c1ccc(Cl)nc1)c1ccc2ccccc2n1 ZINC000748993933 1299122023 /nfs/dbraw/zinc/12/20/23/1299122023.db2.gz DUYLDRRZVVUJII-UKTHLTGXSA-N -1 0 338.750 3.478 20 30 EGEDRM O=C([N-]CC#Cc1ccc(C(F)(F)F)cc1)C(F)(F)C(F)F ZINC000752388685 1299730968 /nfs/dbraw/zinc/73/09/68/1299730968.db2.gz PGXVDUFLGQLSHD-UHFFFAOYSA-N -1 0 327.199 3.074 20 30 EGEDRM C#CCOc1ccc([N-]S(=O)(=O)c2cc(C)c(F)cc2F)cc1 ZINC000753363289 1299922533 /nfs/dbraw/zinc/92/25/33/1299922533.db2.gz KYZCIKKJZVGCCT-UHFFFAOYSA-N -1 0 337.347 3.086 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2cc(Cl)ccc2Cl)C(=O)O1 ZINC000753715582 1300009647 /nfs/dbraw/zinc/00/96/47/1300009647.db2.gz SIFUNZKHVYDPMQ-IWZWCOEHSA-N -1 0 325.147 3.222 20 30 EGEDRM CCCCCC=Nn1c(SCC(=O)[O-])nnc1-c1ccoc1C ZINC000755599334 1300363353 /nfs/dbraw/zinc/36/33/53/1300363353.db2.gz QEAXFUGRYZNBKQ-UHFFFAOYSA-N -1 0 336.417 3.437 20 30 EGEDRM COc1ccc(C(=O)/C=C\c2ccc(F)c(C#N)c2)cc1CC(=O)[O-] ZINC000756262215 1300459260 /nfs/dbraw/zinc/45/92/60/1300459260.db2.gz RYBQVGLDBSVGNE-UTCJRWHESA-N -1 0 339.322 3.229 20 30 EGEDRM CCOc1c(OC)cc(/C=C\C(=O)c2ccc(O)cc2[O-])cc1OC ZINC000757472639 1300675415 /nfs/dbraw/zinc/67/54/15/1300675415.db2.gz QJEPLPOXUUEBIM-YVMONPNESA-N -1 0 344.363 3.410 20 30 EGEDRM CC(=NNC(=S)Nc1ccccc1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000758091817 1300783249 /nfs/dbraw/zinc/78/32/49/1300783249.db2.gz PJXPSDXLDZRHKU-UHFFFAOYSA-N -1 0 348.359 3.150 20 30 EGEDRM CCCn1nc(C)c(/C=C\C(=O)c2cc([N+](=O)[O-])ccc2[O-])c1C ZINC000759088972 1301012651 /nfs/dbraw/zinc/01/26/51/1301012651.db2.gz DMNGRPHYGCNEAP-VURMDHGXSA-N -1 0 329.356 3.420 20 30 EGEDRM O=C(/C=C/c1cn2cc(Cl)ccc2n1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000759090467 1301012722 /nfs/dbraw/zinc/01/27/22/1301012722.db2.gz LHFQWJVJLHFRDQ-DUXPYHPUSA-N -1 0 343.726 3.498 20 30 EGEDRM C=C[C@H](CC(=O)[N-]S(=O)(=O)c1ccc(C)s1)c1ccccc1 ZINC000759173807 1301031831 /nfs/dbraw/zinc/03/18/31/1301031831.db2.gz WTYBNOXMDRZMBE-CYBMUJFWSA-N -1 0 335.450 3.221 20 30 EGEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2cc(Cl)cs2)c1 ZINC000759687835 1301143020 /nfs/dbraw/zinc/14/30/20/1301143020.db2.gz VFOCZERDQVXKTF-CYBMUJFWSA-N -1 0 332.812 3.349 20 30 EGEDRM Cc1nn(Cc2ccccc2)c(C)c1C(=O)Nc1cc(C#N)ccc1[O-] ZINC000759716646 1301148230 /nfs/dbraw/zinc/14/82/30/1301148230.db2.gz AXSMFXAKCWWCCY-UHFFFAOYSA-N -1 0 346.390 3.378 20 30 EGEDRM O=C([O-])COc1cccc(C(=O)/C=C\c2cccc(-n3cccn3)c2)c1 ZINC000760264071 1301241574 /nfs/dbraw/zinc/24/15/74/1301241574.db2.gz PMHGCCDQVFLXKJ-HJWRWDBZSA-N -1 0 348.358 3.232 20 30 EGEDRM COC(=O)[C@@H](CC(F)F)/N=C/c1cc(Cl)cc(Cl)c1[O-] ZINC000761182838 1301416271 /nfs/dbraw/zinc/41/62/71/1301416271.db2.gz URDRNTAIKSLGOU-WINHXHGESA-N -1 0 326.126 3.315 20 30 EGEDRM N#Cc1c(F)ccc(C=Nn2c(=S)[n-]nc2C(F)(F)F)c1Cl ZINC000761750217 1301534625 /nfs/dbraw/zinc/53/46/25/1301534625.db2.gz REZWAUHTKASOSX-UHFFFAOYSA-N -1 0 349.700 3.132 20 30 EGEDRM O=C([O-])c1ccc2c(C=NNCc3ccccc3Cl)[nH]nc2c1 ZINC000765571474 1302284719 /nfs/dbraw/zinc/28/47/19/1302284719.db2.gz JKUWQVNAWJOFRR-UHFFFAOYSA-N -1 0 328.759 3.038 20 30 EGEDRM CCc1nc2ccccc2n1N=Cc1cc(OC)c([O-])c([N+](=O)[O-])c1 ZINC000767374324 1302655164 /nfs/dbraw/zinc/65/51/64/1302655164.db2.gz SVBQSPPPQGVXDN-UHFFFAOYSA-N -1 0 340.339 3.103 20 30 EGEDRM Cn1ncc2c1nc(N=NC1C[C@@H](c3ccccc3)C1(C)C)[n-]c2=O ZINC000769809064 1303177943 /nfs/dbraw/zinc/17/79/43/1303177943.db2.gz RRHQXSZPOQRTBR-ZDUSSCGKSA-N -1 0 336.399 3.051 20 30 EGEDRM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])c1nccs1 ZINC000774045596 1303767477 /nfs/dbraw/zinc/76/74/77/1303767477.db2.gz ZLUFTGTWIJRDMB-VIFPVBQESA-N -1 0 349.799 3.075 20 30 EGEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1cc(C)sn1)c1ccccc1 ZINC000774258512 1303790237 /nfs/dbraw/zinc/79/02/37/1303790237.db2.gz AXTWREABHZWLHZ-ZIAGYGMSSA-N -1 0 327.409 3.042 20 30 EGEDRM CO[C@@H]1[C@H](C)[C@H](/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1(C)C ZINC000775630027 1303998255 /nfs/dbraw/zinc/99/82/55/1303998255.db2.gz IZQCVYWLKOZRIX-OGYKFMOZSA-N -1 0 326.780 3.432 20 30 EGEDRM C=CCNC(=O)c1ccccc1NC(=O)c1cccc(Cl)c1[O-] ZINC000775652247 1304005333 /nfs/dbraw/zinc/00/53/33/1304005333.db2.gz WCKPPPAUSUQPPZ-UHFFFAOYSA-N -1 0 330.771 3.214 20 30 EGEDRM N#Cc1ccc(C(=O)/C=C\c2ccc(OCC(=O)[O-])cc2)cc1F ZINC000776726139 1304188062 /nfs/dbraw/zinc/18/80/62/1304188062.db2.gz HCTVDVFURSOTSY-BAQGIRSFSA-N -1 0 325.295 3.057 20 30 EGEDRM N#Cc1ccc(C(=O)/C=C/c2cccc(OCC(=O)[O-])c2)cc1F ZINC000776726391 1304188302 /nfs/dbraw/zinc/18/83/02/1304188302.db2.gz JASJWDFCFVWWOK-QPJJXVBHSA-N -1 0 325.295 3.057 20 30 EGEDRM Cc1nc(C)c(C(C)N=Nc2ccccc2[N+](=O)[O-])cc1C(=O)[O-] ZINC000776722954 1304188304 /nfs/dbraw/zinc/18/83/04/1304188304.db2.gz ZNGYJXKJWOGQNT-UHFFFAOYSA-N -1 0 328.328 3.141 20 30 EGEDRM N#Cc1ccc(C(=O)/C=C\c2ccc(OCCC(=O)[O-])cc2)cc1F ZINC000776727514 1304188901 /nfs/dbraw/zinc/18/89/01/1304188901.db2.gz YYLSCQBQQBTUHK-BAQGIRSFSA-N -1 0 339.322 3.447 20 30 EGEDRM C#CCOc1cccc(Cl)c1C=NNc1ccc(C(=O)[O-])cc1 ZINC000777420244 1304293210 /nfs/dbraw/zinc/29/32/10/1304293210.db2.gz FWWBZDWUEAJOSA-UHFFFAOYSA-N -1 0 328.755 3.496 20 30 EGEDRM O=C([O-])c1ccccc1COc1cccc(C=NNc2ccncc2)c1 ZINC000779812835 1304608570 /nfs/dbraw/zinc/60/85/70/1304608570.db2.gz ZFZWYNYRWGICQH-UHFFFAOYSA-N -1 0 347.374 3.227 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cnn(C2CCCCC2)c1C ZINC000781449909 1304829411 /nfs/dbraw/zinc/82/94/11/1304829411.db2.gz XJSOKECNXIEXLF-INIZCTEOSA-N -1 0 344.459 3.326 20 30 EGEDRM Cc1[nH]c2ccc(F)cc2c1C=Nn1c(=S)[n-]nc1C(F)(F)F ZINC000782223853 1304935072 /nfs/dbraw/zinc/93/50/72/1304935072.db2.gz YVBFGFNPUMJRNI-UHFFFAOYSA-N -1 0 343.309 3.397 20 30 EGEDRM COc1cc(C=NNc2cccc(C)c2)ccc1OCCC(=O)[O-] ZINC000783772533 1305143891 /nfs/dbraw/zinc/14/38/91/1305143891.db2.gz KTXBDZOCSVMMHW-UHFFFAOYSA-N -1 0 328.368 3.303 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)ccc1F ZINC000786531908 1305591139 /nfs/dbraw/zinc/59/11/39/1305591139.db2.gz VYGMRCZLVULGHD-HNNXBMFYSA-N -1 0 344.773 3.426 20 30 EGEDRM N#CC(C(=O)NCc1cccc(Cl)c1)=C([O-])c1ccc(F)cc1 ZINC000786534461 1305591634 /nfs/dbraw/zinc/59/16/34/1305591634.db2.gz LHLVCBDGLLDHPD-HNNXBMFYSA-N -1 0 330.746 3.118 20 30 EGEDRM N#CC(C(=O)NCc1cccc(Cl)c1)=C([O-])c1ccc(F)c(F)c1 ZINC000786533717 1305591699 /nfs/dbraw/zinc/59/16/99/1305591699.db2.gz HPPNDVMXWWDLNQ-CYBMUJFWSA-N -1 0 348.736 3.257 20 30 EGEDRM Cc1cc(C)c(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)o1 ZINC000786534268 1305591760 /nfs/dbraw/zinc/59/17/60/1305591760.db2.gz JCAKSVUCYVZVML-AWEZNQCLSA-N -1 0 330.771 3.189 20 30 EGEDRM CSc1ccc(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)cc1 ZINC000786537978 1305593042 /nfs/dbraw/zinc/59/30/42/1305593042.db2.gz CSFMCFRSMSNODZ-KRWDZBQOSA-N -1 0 338.432 3.356 20 30 EGEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2cc3nc(C)ccc3o2)c1 ZINC000786549167 1305595266 /nfs/dbraw/zinc/59/52/66/1305595266.db2.gz PAECFMVIQVYHJW-OAHLLOKOSA-N -1 0 347.374 3.084 20 30 EGEDRM Cc1cc(F)cc(C([O-])=C(C#N)C(=O)NCc2ccc(F)cc2F)c1 ZINC000786554988 1305596719 /nfs/dbraw/zinc/59/67/19/1305596719.db2.gz QSZGQUUSHHQXFL-HNNXBMFYSA-N -1 0 346.308 3.051 20 30 EGEDRM O=C([O-])Cc1ccc(C(=O)/C=C/c2nccn2-c2ccccc2)cc1 ZINC000790213843 1306276341 /nfs/dbraw/zinc/27/63/41/1306276341.db2.gz CIORLFDHCNNASA-ZHACJKMWSA-N -1 0 332.359 3.396 20 30 EGEDRM COCCN(C)c1ccc(/C=C/C(=O)c2cc(F)cc(F)c2[O-])cn1 ZINC000790221809 1306278547 /nfs/dbraw/zinc/27/85/47/1306278547.db2.gz GTEJGXIURJDQED-HWKANZROSA-N -1 0 348.349 3.044 20 30 EGEDRM N#CCCCCCC(=O)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000805841654 1317430448 /nfs/dbraw/zinc/43/04/48/1317430448.db2.gz KDVGHMCOPWAEIC-UHFFFAOYSA-N -1 0 349.239 3.272 20 30 EGEDRM CCCCCCC[C@@H](CC(=O)[O-])NS(=O)(=O)c1ccccc1 ZINC000792564599 1309189025 /nfs/dbraw/zinc/18/90/25/1309189025.db2.gz ZIKJNUDPUNLSLD-AWEZNQCLSA-N -1 0 327.446 3.169 20 30 EGEDRM CC[C@@H](NN=C1CCCc2nc(-c3ccc(F)cc3)sc21)C(=O)[O-] ZINC000793078564 1309292312 /nfs/dbraw/zinc/29/23/12/1309292312.db2.gz NYANISIGNIQMSD-GFCCVEGCSA-N -1 0 347.415 3.442 20 30 EGEDRM C[C@@]1(C#N)CCCN(Cc2cc(=O)oc3cc([O-])c(Cl)cc23)C1 ZINC000794570107 1309548697 /nfs/dbraw/zinc/54/86/97/1309548697.db2.gz NSYZDOCMJRMEJZ-KRWDZBQOSA-N -1 0 332.787 3.278 20 30 EGEDRM CSCCON=Cc1ccc(OCc2occc2C(=O)[O-])cc1 ZINC000794572745 1309548822 /nfs/dbraw/zinc/54/88/22/1309548822.db2.gz WHYKYZCWHAKEFC-UHFFFAOYSA-N -1 0 335.381 3.270 20 30 EGEDRM C[C@@H](Oc1ccc(/C=C2\CCc3ccc(O)cc3C2=O)cc1)C(=O)[O-] ZINC000794713690 1309580119 /nfs/dbraw/zinc/58/01/19/1309580119.db2.gz OITXYYUJQMUVGL-JXCQQFQQSA-N -1 0 338.359 3.457 20 30 EGEDRM COc1cc2c(cc1OC)C(=O)/C(=C/c1ccc([O-])c([N+](=O)[O-])c1)C2 ZINC000794960555 1309633186 /nfs/dbraw/zinc/63/31/86/1309633186.db2.gz DDTCQXKAOSXOSZ-LFYBBSHMSA-N -1 0 341.319 3.140 20 30 EGEDRM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2cncs2)cc1 ZINC000796747947 1310078809 /nfs/dbraw/zinc/07/88/09/1310078809.db2.gz RXHGJDKQBQGEBJ-CQSZACIVSA-N -1 0 327.409 3.447 20 30 EGEDRM Cc1c2cc(C#N)ccc2sc1C(=O)OCc1n[n-]c(C)cc1=O ZINC000797096000 1310139932 /nfs/dbraw/zinc/13/99/32/1310139932.db2.gz CFAGYDZVTMNFDL-UHFFFAOYSA-N -1 0 339.376 3.242 20 30 EGEDRM CCCCCCCS(=O)(=O)[N-]c1ccc(C(F)(F)F)nn1 ZINC000799644494 1310594341 /nfs/dbraw/zinc/59/43/41/1310594341.db2.gz OSSJZJLZQJJCPA-UHFFFAOYSA-N -1 0 325.356 3.208 20 30 EGEDRM CC[C@@H](C#N)OC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000801189109 1310878523 /nfs/dbraw/zinc/87/85/23/1310878523.db2.gz JJOYGKJGMUFQRY-VIFPVBQESA-N -1 0 339.273 3.056 20 30 EGEDRM N#CCOC(=O)c1nn(-c2c(Cl)cc(Cl)cc2Cl)cc1[O-] ZINC000801382150 1310920687 /nfs/dbraw/zinc/92/06/87/1310920687.db2.gz HLZOAZGSFXXIAX-UHFFFAOYSA-N -1 0 346.557 3.218 20 30 EGEDRM C=C(C)CCOC(=O)c1cc2ccccc2cc1[N-]S(C)(=O)=O ZINC000803245084 1317096692 /nfs/dbraw/zinc/09/66/92/1317096692.db2.gz RBBRMFXODFOTFP-UHFFFAOYSA-N -1 0 333.409 3.334 20 30 EGEDRM C=CCN(CC(=O)[O-])Cc1cc2ccccc2nc1N1CCCCC1 ZINC000901585969 1317449041 /nfs/dbraw/zinc/44/90/41/1317449041.db2.gz GQZKRZZFLDGYLR-UHFFFAOYSA-N -1 0 339.439 3.298 20 30 EGEDRM COC(=O)c1ccc(/C=C2/C[C@@H](C(=O)[O-])c3ccccc3C2=O)cc1 ZINC000806559578 1317500842 /nfs/dbraw/zinc/50/08/42/1317500842.db2.gz CPLVWUBGUNQKQL-OOXMNIKJSA-N -1 0 336.343 3.311 20 30 EGEDRM C[C@H](Oc1ccc(/C=C2/Cc3nc(Cl)ccc3C2=O)cc1)C(=O)[O-] ZINC000806578071 1317505921 /nfs/dbraw/zinc/50/59/21/1317505921.db2.gz MIUKLYPNOGRVOA-UVIKPUKZSA-N -1 0 343.766 3.409 20 30 EGEDRM Cc1nn(C)c2sc(C(=O)/C=C\c3ccc([O-])c([N+](=O)[O-])c3)cc12 ZINC000806577985 1317505975 /nfs/dbraw/zinc/50/59/75/1317505975.db2.gz ZLAJLRYANCCVRW-XQRVVYSFSA-N -1 0 343.364 3.453 20 30 EGEDRM Cc1nn(C)c2sc(C(=O)/C=C/c3ccc([O-])c([N+](=O)[O-])c3)cc12 ZINC000806577984 1317506352 /nfs/dbraw/zinc/50/63/52/1317506352.db2.gz ZLAJLRYANCCVRW-GQCTYLIASA-N -1 0 343.364 3.453 20 30 EGEDRM COc1ccc2c(c1)C(=O)/C(=C/c1ccc(O)c(C(=O)[O-])c1)CS2 ZINC000809155998 1317776100 /nfs/dbraw/zinc/77/61/00/1317776100.db2.gz BAOLFFVZTRGLGP-IZZDOVSWSA-N -1 0 342.372 3.471 20 30 EGEDRM COCCOCc1ccc(/C=C/C(=O)c2ccc(OC)cc2[O-])cc1 ZINC000809157868 1317776719 /nfs/dbraw/zinc/77/67/19/1317776719.db2.gz OPEIREGHQCVJEL-JXMROGBWSA-N -1 0 342.391 3.460 20 30 EGEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1cc2cc(C)ccc2s1 ZINC000810526303 1318016753 /nfs/dbraw/zinc/01/67/53/1318016753.db2.gz BIOHMDMLVWVKTL-AWEZNQCLSA-N -1 0 344.436 3.075 20 30 EGEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1ccc(C2=CCCC2)cc1 ZINC000810526420 1318018197 /nfs/dbraw/zinc/01/81/97/1318018197.db2.gz CDLYKOMOAKEDAE-SFHVURJKSA-N -1 0 340.423 3.119 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2ccc(C3=CCCC3)cc2)CC1 ZINC000810982827 1318086807 /nfs/dbraw/zinc/08/68/07/1318086807.db2.gz YZHUCGVDLMAURO-UHFFFAOYSA-N -1 0 331.437 3.422 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)C(C)(C)c2cccc(Cl)c2)CC1 ZINC000810988057 1318088200 /nfs/dbraw/zinc/08/82/00/1318088200.db2.gz ILOXZIGCYZRYHV-UHFFFAOYSA-N -1 0 341.860 3.172 20 30 EGEDRM CN(C)c1cccnc1C/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000811625200 1318215080 /nfs/dbraw/zinc/21/50/80/1318215080.db2.gz GPQLFNFVXCKTJZ-IUXPMGMMSA-N -1 0 334.763 3.034 20 30 EGEDRM N#CCCCC(=O)[N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000813056805 1318492487 /nfs/dbraw/zinc/49/24/87/1318492487.db2.gz CEPVVBSKIACBGY-UHFFFAOYSA-N -1 0 334.441 3.233 20 30 EGEDRM C=C[C@](C)(CC)C(=O)Nc1cccc(-n2ncc(C(=O)[O-])c2C)c1 ZINC000909640378 1318509725 /nfs/dbraw/zinc/50/97/25/1318509725.db2.gz MCHKDGKUJONXLH-GOSISDBHSA-N -1 0 327.384 3.420 20 30 EGEDRM C=CC[C@@H](C(=O)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1)c1ccccc1 ZINC000909766052 1318523295 /nfs/dbraw/zinc/52/32/95/1318523295.db2.gz XQRREYNKSXVLBD-CZUORRHYSA-N -1 0 341.329 3.212 20 30 EGEDRM CCCCCNC(=S)NN=C1CC[C@@H](C(=O)[O-])C(C)(C)[C@@H]1C ZINC000814763463 1318812405 /nfs/dbraw/zinc/81/24/05/1318812405.db2.gz DPRCQKGGDQBZKI-NEPJUHHUSA-N -1 0 327.494 3.154 20 30 EGEDRM COc1cccc(NN=C(C)c2cccc(O[C@H](C)C(=O)[O-])c2)c1 ZINC000814778449 1318815403 /nfs/dbraw/zinc/81/54/03/1318815403.db2.gz GCANTBVDCAWBCJ-CYBMUJFWSA-N -1 0 328.368 3.383 20 30 EGEDRM CC(=NNc1nnc(-c2ccccc2)n1C)c1csc(C(=O)[O-])c1 ZINC000814805271 1318821563 /nfs/dbraw/zinc/82/15/63/1318821563.db2.gz AAMVHMUAIHKJTN-UHFFFAOYSA-N -1 0 341.396 3.078 20 30 EGEDRM Cc1ccc2c(c1)oc(C(C)N=Nc1cc(C)ncn1)c2CC(=O)[O-] ZINC000814846168 1318829875 /nfs/dbraw/zinc/82/98/75/1318829875.db2.gz IKNUANGHJLWCMD-UHFFFAOYSA-N -1 0 338.367 3.303 20 30 EGEDRM O=C([O-])C1(c2ccccc2)CC(N=Nc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000814904991 1318845033 /nfs/dbraw/zinc/84/50/33/1318845033.db2.gz JIBNIQVBDCTIAO-UHFFFAOYSA-N -1 0 343.314 3.318 20 30 EGEDRM CC(CCc1ccc(OCC(=O)[O-])cc1)=NN[C@@H]1CCOC(C)(C)C1 ZINC000814909702 1318846400 /nfs/dbraw/zinc/84/64/00/1318846400.db2.gz JVKJCTWBMQJUJD-MRXNPFEDSA-N -1 0 348.443 3.006 20 30 EGEDRM C[C@H](CCc1ccc2c(c1)OCO2)NN=C1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000814924515 1318850064 /nfs/dbraw/zinc/85/00/64/1318850064.db2.gz PTKNEOLCNLYTBX-IOASZLSFSA-N -1 0 346.427 3.203 20 30 EGEDRM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1ncoc1C1CC1 ZINC000815907832 1319071124 /nfs/dbraw/zinc/07/11/24/1319071124.db2.gz LUUGZYSDHCHVJE-JTQLQIEISA-N -1 0 329.743 3.167 20 30 EGEDRM O=C([O-])c1ccccc1NN=Cc1cccc(Br)c1O ZINC000915955332 1319569151 /nfs/dbraw/zinc/56/91/51/1319569151.db2.gz CWQOOUMEZOTZIK-UHFFFAOYSA-N -1 0 335.157 3.299 20 30 EGEDRM C[C@@H]1c2c(c(O)ccc2F)C(=O)/C1=C\c1cnc(N2CCCC2)nc1 ZINC000915987539 1319579412 /nfs/dbraw/zinc/57/94/12/1319579412.db2.gz GQWMKSRDKLOAQY-LFTLCWSBSA-N -1 0 339.370 3.305 20 30 EGEDRM Cc1nnc([S-])n(N=Cc2ccc(-c3ccc(Cl)cc3)o2)c1=O ZINC000916303176 1319634939 /nfs/dbraw/zinc/63/49/39/1319634939.db2.gz CITMKCXCXAXOHS-UHFFFAOYSA-N -1 0 346.799 3.031 20 30 EGEDRM C[C@@H]1CCC[C@@H](NC(=S)NN=Cc2ccccc2C(=O)[O-])[C@@H]1C ZINC000916607667 1319682766 /nfs/dbraw/zinc/68/27/66/1319682766.db2.gz KWVPQDJWNSNQTD-LALPHHSUSA-N -1 0 333.457 3.008 20 30 EGEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1ccc2[nH]c3c(c2c1)CCCCC3 ZINC000916872002 1319717358 /nfs/dbraw/zinc/71/73/58/1319717358.db2.gz YSIBMNXGQUYQQK-KRWDZBQOSA-N -1 0 349.434 3.382 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1nc(-c2ccccc2)[nH]c1C ZINC000916877215 1319718429 /nfs/dbraw/zinc/71/84/29/1319718429.db2.gz DNIMNNKQQGZWAE-OAHLLOKOSA-N -1 0 338.411 3.014 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cc2cccc(OC)c2o1 ZINC000916878140 1319718624 /nfs/dbraw/zinc/71/86/24/1319718624.db2.gz OXWLKVGIYUXFKK-CYBMUJFWSA-N -1 0 328.368 3.070 20 30 EGEDRM O=C([O-])c1cccc(NN=Cc2cc(Cl)c3c(c2)OCCO3)c1 ZINC000917023207 1319740911 /nfs/dbraw/zinc/74/09/11/1319740911.db2.gz MNTDLYMLQVPJDH-UHFFFAOYSA-N -1 0 332.743 3.255 20 30 EGEDRM Cc1nnc(NN=Cc2ccc(F)c(-c3cccs3)c2)[n-]c1=O ZINC000917537844 1319830532 /nfs/dbraw/zinc/83/05/32/1319830532.db2.gz BTCGITIUNOSRAI-UHFFFAOYSA-N -1 0 329.360 3.199 20 30 EGEDRM C=CCC[C@@H](NC(=O)c1oc2ccccc2c1CSC)C(=O)[O-] ZINC000823371512 1320172922 /nfs/dbraw/zinc/17/29/22/1320172922.db2.gz BQXFYWGUJPCVIT-CYBMUJFWSA-N -1 0 333.409 3.445 20 30 EGEDRM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@@](C)(CCCCCC)C(=O)[O-] ZINC000837300075 1320594659 /nfs/dbraw/zinc/59/46/59/1320594659.db2.gz RDVWNFUMCRIXGQ-MPGHIAIKSA-N -1 0 340.464 3.081 20 30 EGEDRM O=C([O-])c1ccc(NN=Cc2ccc(OC[C@H]3CCCO3)cc2)cc1 ZINC000839382449 1320911239 /nfs/dbraw/zinc/91/12/39/1320911239.db2.gz TUMNJHPLXXBQOB-GOSISDBHSA-N -1 0 340.379 3.389 20 30 EGEDRM Cc1nnc(NN=Cc2ccc(-c3ccc(F)cc3)s2)[n-]c1=O ZINC000839394784 1320912300 /nfs/dbraw/zinc/91/23/00/1320912300.db2.gz STARSLOLMCBYAZ-UHFFFAOYSA-N -1 0 329.360 3.199 20 30 EGEDRM C=CCC[C@H](/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-])C(=O)OCC ZINC000840710383 1321132066 /nfs/dbraw/zinc/13/20/66/1321132066.db2.gz RWHXPCWQSYVUDJ-CHROMADKSA-N -1 0 340.763 3.271 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])c(/C=N\[C@@H]2CCO[C@@H](c3ccncc3)C2)c1 ZINC000840708950 1321132359 /nfs/dbraw/zinc/13/23/59/1321132359.db2.gz JURRVROOOBFVDF-UNOCJEOJSA-N -1 0 327.340 3.035 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])c(/C=N/[C@@H]2CCO[C@H](c3ccncc3)C2)c1 ZINC000840708951 1321132493 /nfs/dbraw/zinc/13/24/93/1321132493.db2.gz JURRVROOOBFVDF-VYGAMEOYSA-N -1 0 327.340 3.035 20 30 EGEDRM CC(=NN(C)C[C@H](C)O)c1ccc(Oc2ccc(C(=O)[O-])cc2)cc1 ZINC000841652211 1321292240 /nfs/dbraw/zinc/29/22/40/1321292240.db2.gz QYVODOQPNXJECL-ZDUSSCGKSA-N -1 0 342.395 3.214 20 30 EGEDRM C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cccc(COC2CCCCC2)c1 ZINC000846153363 1321772080 /nfs/dbraw/zinc/77/20/80/1321772080.db2.gz GMBXQKHWGBXQKA-AWEZNQCLSA-N -1 0 346.427 3.097 20 30 EGEDRM C=C[C@H](C)O[N-]C(=O)[C@H](C)Oc1ccc(Cl)cc1Br ZINC000846543003 1321792449 /nfs/dbraw/zinc/79/24/49/1321792449.db2.gz FGHXUIYMVWMOQN-IUCAKERBSA-N -1 0 348.624 3.492 20 30 EGEDRM Cc1ncc(CO)c(/C=N\Cc2cccc(Br)c2C)c1O ZINC000846756715 1321804999 /nfs/dbraw/zinc/80/49/99/1321804999.db2.gz KWFNYRNCLYBDFS-LSCVHKIXSA-N -1 0 349.228 3.278 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(C(F)F)cc1F ZINC000847622640 1321885131 /nfs/dbraw/zinc/88/51/31/1321885131.db2.gz PACFAJQJXPBRFB-GFCCVEGCSA-N -1 0 326.318 3.392 20 30 EGEDRM Cc1[n-]n2c(nc3ccccc3c2=O)c1C=NOCc1ccccc1 ZINC000918710795 1321981661 /nfs/dbraw/zinc/98/16/61/1321981661.db2.gz DXCOOFXNCFHVLP-UHFFFAOYSA-N -1 0 332.363 3.035 20 30 EGEDRM C=C(C)CN(CC)C(=O)c1cc2ccccc2cc1[N-]S(C)(=O)=O ZINC000849207551 1322097199 /nfs/dbraw/zinc/09/71/99/1322097199.db2.gz DVYJETATFGEQGJ-UHFFFAOYSA-N -1 0 346.452 3.250 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)n1 ZINC000850304653 1322225144 /nfs/dbraw/zinc/22/51/44/1322225144.db2.gz NYKCHGCJDSNOQB-CTASWTNQSA-N -1 0 346.452 3.387 20 30 EGEDRM CCOC(=O)C[C@@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000920834201 1322227775 /nfs/dbraw/zinc/22/77/75/1322227775.db2.gz ZGCHUVHRASDKAU-PUMYGXPMSA-N -1 0 342.351 3.414 20 30 EGEDRM CCCCCCCC[C@@H](C)C(=O)[N-]S(=O)(=O)C[C@H]1CCCOC1 ZINC000851018586 1322324624 /nfs/dbraw/zinc/32/46/24/1322324624.db2.gz OYXUVBAJPYNALN-CVEARBPZSA-N -1 0 347.521 3.246 20 30 EGEDRM C[C@@H](C#N)N(Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-])C1CC1 ZINC000853547152 1325120052 /nfs/dbraw/zinc/12/00/52/1325120052.db2.gz RJEWZTJNBRRVQM-ZDUSSCGKSA-N -1 0 336.391 3.205 20 30 EGEDRM C=CCCO[N-]C(=O)Cc1csc(-c2ccc(OCC)cc2)n1 ZINC000856030376 1325441010 /nfs/dbraw/zinc/44/10/10/1325441010.db2.gz XOKSTKLMEMDIAQ-UHFFFAOYSA-N -1 0 332.425 3.375 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2ccc(C)c(C(F)(F)F)c2)CC1 ZINC000860772367 1329353750 /nfs/dbraw/zinc/35/37/50/1329353750.db2.gz XPJVFCCAHBCNPI-UHFFFAOYSA-N -1 0 347.358 3.182 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)/C=C\c2ccc(SC)s2)CC1 ZINC000860772145 1329353775 /nfs/dbraw/zinc/35/37/75/1329353775.db2.gz QEKVZHCQQRTSQG-XQRVVYSFSA-N -1 0 343.495 3.038 20 30 EGEDRM C=CCC[C@H](NC(=O)N[C@@H](C)c1nc2ccccc2s1)C(=O)[O-] ZINC000929028281 1328491403 /nfs/dbraw/zinc/49/14/03/1328491403.db2.gz HJBYPEOOMLSCGB-JQWIXIFHSA-N -1 0 333.413 3.076 20 30 EGEDRM Cc1nc(C2CCN(c3ccc(C#N)c(C)n3)CC2)sc1C(=O)[O-] ZINC000864515228 1329620965 /nfs/dbraw/zinc/62/09/65/1329620965.db2.gz LRLGFJZIYOHTDO-UHFFFAOYSA-N -1 0 342.424 3.109 20 30 EGEDRM Cc1cc(C#N)c([N-]S(=O)(=O)c2sc(Cl)nc2C)s1 ZINC001201732251 1369612989 /nfs/dbraw/zinc/61/29/89/1369612989.db2.gz WSFMHYAFQGXRDK-UHFFFAOYSA-N -1 0 333.847 3.147 20 30 EGEDRM N#C[C@@H]1CCCN(C(=O)CCC(=O)C=C([O-])c2ccc(Cl)cc2)C1 ZINC001184120775 1387396107 /nfs/dbraw/zinc/39/61/07/1387396107.db2.gz VAMNXIZAJCBNMU-ZDUSSCGKSA-N -1 0 346.814 3.024 20 30 EGEDRM CC(C)(C)c1nc2ccc(NC(=O)CCC(=O)C3=CC=C[CH]3)cn2n1 ZINC001184241113 1387418664 /nfs/dbraw/zinc/41/86/64/1387418664.db2.gz MBLMQZUQJWKDBL-UHFFFAOYSA-N -1 0 337.403 3.015 20 30 EGEDRM O=C(CCC(=O)C1=CC=C[CH]1)Nc1cc(Br)ccc1O ZINC001184244555 1387418707 /nfs/dbraw/zinc/41/87/07/1387418707.db2.gz DDFRYLVBTXQEMN-UHFFFAOYSA-N -1 0 335.177 3.143 20 30 EGEDRM O=C(CCC(=O)N1CCc2[nH]c3ccc(F)cc3c2C1)C1=CC=C[CH]1 ZINC001184243735 1387418753 /nfs/dbraw/zinc/41/87/53/1387418753.db2.gz MHIYNVSEWCNEIB-UHFFFAOYSA-N -1 0 337.374 3.241 20 30 EGEDRM COc1ccc(NC(=O)CCC(=O)C2=CC=C[CH]2)c(Br)c1 ZINC001184245244 1387419386 /nfs/dbraw/zinc/41/93/86/1387419386.db2.gz MPIVRQBFUMEDPF-UHFFFAOYSA-N -1 0 349.204 3.446 20 30 EGEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(Cl)c(C)c1 ZINC001185529629 1387740664 /nfs/dbraw/zinc/74/06/64/1387740664.db2.gz JGWXICPAXJEPDI-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM C=C[C@@H](NS(=O)(=O)c1cc(F)cc(F)c1F)c1ccccc1 ZINC001190419733 1367260296 /nfs/dbraw/zinc/26/02/96/1367260296.db2.gz IZUYEUIKPUNACD-CYBMUJFWSA-N -1 0 327.327 3.310 20 30 EGEDRM CSc1cc(C)nc(SC)c1[N-]C(=O)c1ccc(C#N)cn1 ZINC001190581536 1367298461 /nfs/dbraw/zinc/29/84/61/1367298461.db2.gz MFPXEGKQSHDHTK-UHFFFAOYSA-N -1 0 330.438 3.353 20 30 EGEDRM Cc1c(Cl)c(C#N)ccc1[N-]S(=O)(=O)c1cc(C#N)ccc1F ZINC001190655310 1367318271 /nfs/dbraw/zinc/31/82/71/1367318271.db2.gz CYSOBVNGKIOSLA-UHFFFAOYSA-N -1 0 349.774 3.332 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]c2c3ccccc3oc2C(=O)OC)CC1 ZINC001190772597 1367346432 /nfs/dbraw/zinc/34/64/32/1367346432.db2.gz CIPRGBVMMCNKKG-UHFFFAOYSA-N -1 0 335.381 3.070 20 30 EGEDRM CCCCCCCCNC(=O)Nc1nc[n-]c(=O)c1Br ZINC001191052718 1367411698 /nfs/dbraw/zinc/41/16/98/1367411698.db2.gz RZTZNCCZPAXVCY-UHFFFAOYSA-N -1 0 345.241 3.427 20 30 EGEDRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(C#N)cc1OC ZINC001191821559 1367601898 /nfs/dbraw/zinc/60/18/98/1367601898.db2.gz LHOVKJJQSWCZOO-UHFFFAOYSA-N -1 0 346.408 3.075 20 30 EGEDRM N#Cc1ccc(NC(=O)c2ccc([O-])c(F)c2F)c2cccnc12 ZINC001192841745 1367886047 /nfs/dbraw/zinc/88/60/47/1367886047.db2.gz WSVDJAOTEJCFTO-UHFFFAOYSA-N -1 0 325.274 3.343 20 30 EGEDRM C[C@H](C#N)S(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)c1ccccc1 ZINC001193096921 1367942773 /nfs/dbraw/zinc/94/27/73/1367942773.db2.gz DKEZUVNDTUCTEB-LLVKDONJSA-N -1 0 348.811 3.225 20 30 EGEDRM N#Cc1ccc(-c2csc([N-]S(=O)(=O)CC3CCC3)n2)s1 ZINC001193478654 1368041145 /nfs/dbraw/zinc/04/11/45/1368041145.db2.gz FNOCZNOPTJZJQY-UHFFFAOYSA-N -1 0 339.467 3.285 20 30 EGEDRM N#Cc1cc(C(=O)Nc2ccc(OCC(F)(F)F)cc2)ccc1[O-] ZINC001193506419 1368048309 /nfs/dbraw/zinc/04/83/09/1368048309.db2.gz RMVYDSZTFLPIBF-UHFFFAOYSA-N -1 0 336.269 3.457 20 30 EGEDRM N#Cc1cc(Br)c(F)cc1[N-]S(=O)(=O)CC1CCC1 ZINC001193523842 1368052955 /nfs/dbraw/zinc/05/29/55/1368052955.db2.gz PNMWCJSTSGHPDT-UHFFFAOYSA-N -1 0 347.209 3.002 20 30 EGEDRM N#Cc1cccc(C(=O)Nc2ccc(OCc3ccncc3)cc2)c1[O-] ZINC001193652342 1368085639 /nfs/dbraw/zinc/08/56/39/1368085639.db2.gz FIXNTTZXJWWEKX-UHFFFAOYSA-N -1 0 345.358 3.490 20 30 EGEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cccnc2C2CCC2)c1 ZINC001193654120 1368086031 /nfs/dbraw/zinc/08/60/31/1368086031.db2.gz UFDIFJQOWZZOFD-UHFFFAOYSA-N -1 0 343.408 3.030 20 30 EGEDRM N#Cc1cccc(C(=O)NCCc2ccccc2C(F)(F)F)c1[O-] ZINC001193659536 1368086984 /nfs/dbraw/zinc/08/69/84/1368086984.db2.gz NZMQPGHCZZALQZ-UHFFFAOYSA-N -1 0 334.297 3.255 20 30 EGEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2ccccc2SC)c1 ZINC001193679859 1368092758 /nfs/dbraw/zinc/09/27/58/1368092758.db2.gz PQRVBXZXZVIQFY-UHFFFAOYSA-N -1 0 334.422 3.090 20 30 EGEDRM COc1ccc([N-]S(=O)(=O)c2c(C)cccc2Cl)c(C#N)c1 ZINC001195307892 1368417543 /nfs/dbraw/zinc/41/75/43/1368417543.db2.gz AGRKSAZVXJBXAZ-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cnc(C2CC2)s1 ZINC001196650426 1368656387 /nfs/dbraw/zinc/65/63/87/1368656387.db2.gz LNJJFOFEMWECBN-UHFFFAOYSA-N -1 0 339.829 3.346 20 30 EGEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc2ocnc21 ZINC001196679773 1368660936 /nfs/dbraw/zinc/66/09/36/1368660936.db2.gz LAPUAURFAFYBCM-UHFFFAOYSA-N -1 0 333.756 3.154 20 30 EGEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc2cnoc21 ZINC001196690524 1368664060 /nfs/dbraw/zinc/66/40/60/1368664060.db2.gz RMJRBVOCDNGYPF-UHFFFAOYSA-N -1 0 333.756 3.154 20 30 EGEDRM N#Cc1cc2cccnc2nc1NC(=S)Nc1ccc(C(=O)[O-])cc1 ZINC001197075868 1368741549 /nfs/dbraw/zinc/74/15/49/1368741549.db2.gz YCEJPHRHWDJBCQ-UHFFFAOYSA-N -1 0 349.375 3.009 20 30 EGEDRM CC(C)(C)n1ncc(C#N)c1NC(=S)Nc1ccc(C(=O)[O-])cc1 ZINC001197075724 1368741565 /nfs/dbraw/zinc/74/15/65/1368741565.db2.gz PMDFQBFBKFMVRJ-UHFFFAOYSA-N -1 0 343.412 3.017 20 30 EGEDRM C[C@@H](NC(=S)Nc1ccc(C(=O)[O-])cc1)c1ccc(C#N)cc1 ZINC001197121426 1368748830 /nfs/dbraw/zinc/74/88/30/1368748830.db2.gz OFIHIGWBXFNTGK-LLVKDONJSA-N -1 0 325.393 3.304 20 30 EGEDRM Cc1noc(C(F)(F)F)c1C(=O)[N-]c1nc2ncccc2cc1C#N ZINC001197586342 1368845572 /nfs/dbraw/zinc/84/55/72/1368845572.db2.gz ZRIDLYFLRUCSDN-UHFFFAOYSA-N -1 0 347.256 3.069 20 30 EGEDRM COc1ccc(S(=O)(=O)[N-]c2sc(C)c(C)c2C#N)c(C)c1 ZINC001198905372 1369145936 /nfs/dbraw/zinc/14/59/36/1369145936.db2.gz XLNGFHDUOYYESB-UHFFFAOYSA-N -1 0 336.438 3.354 20 30 EGEDRM O=C(c1cc(F)c(F)c([O-])c1F)N1CC[C@](CF)(C(F)(F)F)C1 ZINC001186771102 1388006782 /nfs/dbraw/zinc/00/67/82/1388006782.db2.gz PVHREKJYMDHCEO-GFCCVEGCSA-N -1 0 345.214 3.174 20 30 EGEDRM Cc1nc(Cl)sc1S(=O)(=O)[N-]c1ccc(C#N)c(F)c1F ZINC001201760540 1369618374 /nfs/dbraw/zinc/61/83/74/1369618374.db2.gz MBHJPEGHFXKRTJ-UHFFFAOYSA-N -1 0 349.771 3.056 20 30 EGEDRM C=C(C)c1ccccc1NS(=O)(=O)c1ccc2c(c1)CC(=O)N2 ZINC001186931982 1388030607 /nfs/dbraw/zinc/03/06/07/1388030607.db2.gz RXBOPKKQEWWJJX-UHFFFAOYSA-N -1 0 328.393 3.015 20 30 EGEDRM Cc1cc(S(=O)(=O)[O-])c(Nc2cnc(C#N)c(F)c2)cc1Cl ZINC001203060144 1369969960 /nfs/dbraw/zinc/96/99/60/1369969960.db2.gz JWBZEZYKDCHETD-UHFFFAOYSA-N -1 0 341.751 3.045 20 30 EGEDRM N#Cc1ccc(F)c([N-]S(=O)(=O)c2cc3c(s2)CCCC3)c1 ZINC001187210101 1388071983 /nfs/dbraw/zinc/07/19/83/1388071983.db2.gz RABMUJBYROAEQU-UHFFFAOYSA-N -1 0 336.413 3.438 20 30 EGEDRM O=C(CCc1nc(-c2cccc(-n3cccn3)c2)no1)C1=CC=C[CH]1 ZINC001204656949 1370538493 /nfs/dbraw/zinc/53/84/93/1370538493.db2.gz VVVJOWYCQNPWCW-UHFFFAOYSA-N -1 0 331.355 3.124 20 30 EGEDRM O=C([O-])c1cccc(COc2cccc(CN=Nc3ncccn3)c2)c1 ZINC001116004514 1370818954 /nfs/dbraw/zinc/81/89/54/1370818954.db2.gz HFWXWHCPYDKIDC-UHFFFAOYSA-N -1 0 348.362 3.200 20 30 EGEDRM C=CCC[C@H](NC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-])c1ccccc1 ZINC001119714427 1371392953 /nfs/dbraw/zinc/39/29/53/1371392953.db2.gz AJCGQPCADNUIEF-UONOGXRCSA-N -1 0 338.354 3.198 20 30 EGEDRM CCCCCCCCCCCCS(=O)(=O)[N-]c1ncn(C)n1 ZINC001187723095 1388150279 /nfs/dbraw/zinc/15/02/79/1388150279.db2.gz VBVIOWOUHLIJJH-UHFFFAOYSA-N -1 0 330.498 3.478 20 30 EGEDRM Cc1oc(C(C)(C)C)cc1C([O-])=C(C#N)C(=O)NCCCOC(C)C ZINC001122533352 1372268405 /nfs/dbraw/zinc/26/84/05/1372268405.db2.gz KQNAIJYXXRPQAQ-HNNXBMFYSA-N -1 0 348.443 3.139 20 30 EGEDRM C=C(C)Cn1c(-c2c[n-]n(CC)c2=O)nnc1N(CC)[C@H](C)CC ZINC001122630915 1372286950 /nfs/dbraw/zinc/28/69/50/1372286950.db2.gz HUIKYURZFMOFJN-CYBMUJFWSA-N -1 0 332.452 3.068 20 30 EGEDRM N#Cc1cc(F)ccc1Nc1ccc(S(=O)(=O)[O-])cc1Cl ZINC001210555796 1372377708 /nfs/dbraw/zinc/37/77/08/1372377708.db2.gz PMLHENYKKUPCCB-UHFFFAOYSA-N -1 0 326.736 3.341 20 30 EGEDRM Cc1ccc([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)cc1C#N ZINC001188069454 1388234470 /nfs/dbraw/zinc/23/44/70/1388234470.db2.gz RHUPUQPIOZETBZ-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM Cc1ccc(-n2ncc(C#N)c2Nc2cc(C(=O)[O-])cnc2F)cc1 ZINC001215119566 1373173479 /nfs/dbraw/zinc/17/34/79/1373173479.db2.gz BZJFYBKUOFSAOS-UHFFFAOYSA-N -1 0 337.314 3.028 20 30 EGEDRM N#Cc1ccc(Br)cc1Nc1cc(C(=O)[O-])cnc1F ZINC001215127947 1373174414 /nfs/dbraw/zinc/17/44/14/1373174414.db2.gz FQYCBVRCNQOYRX-UHFFFAOYSA-N -1 0 336.120 3.297 20 30 EGEDRM N#Cc1cnn(-c2ccccc2)c1Nc1c(F)cc(C(=O)[O-])cc1F ZINC001215612021 1373217428 /nfs/dbraw/zinc/21/74/28/1373217428.db2.gz JMINTGLTMTXXKH-UHFFFAOYSA-N -1 0 340.289 3.464 20 30 EGEDRM COc1ncc(Nc2ccc(OC(F)(F)F)cc2C#N)cc1O ZINC001216210331 1373280486 /nfs/dbraw/zinc/28/04/86/1373280486.db2.gz FAISOMPVQOWVOQ-UHFFFAOYSA-N -1 0 325.246 3.310 20 30 EGEDRM Cc1cc(Nc2c(C#N)cnn2-c2ccccn2)cc(C)c1C(=O)[O-] ZINC001216309641 1373298065 /nfs/dbraw/zinc/29/80/65/1373298065.db2.gz HQSQQWHRCRFGSE-UHFFFAOYSA-N -1 0 333.351 3.198 20 30 EGEDRM N#Cc1ccc(F)c(-c2noc(-c3ccc([O-])cc3[N+](=O)[O-])n2)c1 ZINC001216890447 1373359325 /nfs/dbraw/zinc/35/93/25/1373359325.db2.gz FCOPRYALEFPWFK-UHFFFAOYSA-N -1 0 326.243 3.028 20 30 EGEDRM N#Cc1cc(-c2nc(-c3cc(C(F)(F)F)ccn3)no2)ccc1[O-] ZINC001216969567 1373373559 /nfs/dbraw/zinc/37/35/59/1373373559.db2.gz GPXGNBQSSPPUBC-UHFFFAOYSA-N -1 0 332.241 3.395 20 30 EGEDRM Cc1cc(-c2noc(-c3cc(=O)c4cc(C#N)ccc4[n-]3)n2)cc(C)n1 ZINC001217502527 1373456094 /nfs/dbraw/zinc/45/60/94/1373456094.db2.gz MUHIAQUQQCAKRH-UHFFFAOYSA-N -1 0 343.346 3.129 20 30 EGEDRM C=C[C@@]1(C)CC[C@@H](Oc2nc(C3CC3)[n-]c(=O)c2[N+](=O)[O-])C(C)(C)O1 ZINC001228609779 1375615532 /nfs/dbraw/zinc/61/55/32/1375615532.db2.gz IMGOBJILQUTTNL-DIFFPNOSSA-N -1 0 349.387 3.249 20 30 EGEDRM CC(C)(C)OC(=O)N1CC[C@H](Oc2[n-]c(=O)ccc2C#N)C(C)(C)C1 ZINC001228901150 1375708339 /nfs/dbraw/zinc/70/83/39/1375708339.db2.gz JUAFSHHLSLRBHE-ZDUSSCGKSA-N -1 0 347.415 3.073 20 30 EGEDRM C#C[C@@H](Oc1cccc2c1cccc2S(=O)(=O)[O-])c1ccncc1 ZINC001229354696 1375816482 /nfs/dbraw/zinc/81/64/82/1375816482.db2.gz XEFKCGIYNIAHIO-MRXNPFEDSA-N -1 0 339.372 3.235 20 30 EGEDRM Cc1ccc(C(=O)Nc2c(C#N)cnnc2-c2ccccc2)c([O-])c1 ZINC001148492477 1379187690 /nfs/dbraw/zinc/18/76/90/1379187690.db2.gz LLBNRVOBGOJOCB-UHFFFAOYSA-N -1 0 330.347 3.282 20 30 EGEDRM C=CCC1(C(=O)[N-]S(=O)(=O)c2cccc3cccnc32)CCCC1 ZINC001328106150 1388675851 /nfs/dbraw/zinc/67/58/51/1388675851.db2.gz DLYLMFYLWYVCFZ-UHFFFAOYSA-N -1 0 344.436 3.176 20 30 EGEDRM CC[C@H](CC#N)Nc1ncccc1S(=O)(=O)[N-]c1cccc(F)c1 ZINC001161055663 1382284376 /nfs/dbraw/zinc/28/43/76/1382284376.db2.gz NAPFAIPXAOXWJE-CYBMUJFWSA-N -1 0 348.403 3.126 20 30 EGEDRM Cc1c(=O)[n-]n(-c2ccccc2)c1Nc1ccc2[nH]c(C#N)cc2n1 ZINC001163115450 1382969344 /nfs/dbraw/zinc/96/93/44/1382969344.db2.gz CSJLAUSDPXOAQR-UHFFFAOYSA-N -1 0 330.351 3.378 20 30 EGEDRM C=CC[C@@H](NC(=O)Nc1ccc(OCCC(C)C)c(F)c1)C(=O)[O-] ZINC001329000698 1388925204 /nfs/dbraw/zinc/92/52/04/1388925204.db2.gz SEBHPRFPISXTLJ-CQSZACIVSA-N -1 0 338.379 3.401 20 30 EGEDRM CC(N=Nc1cncc(Br)c1)c1ccc(CC(=O)[O-])cc1 ZINC001335896376 1388962627 /nfs/dbraw/zinc/96/26/27/1388962627.db2.gz DLVYDTAWLZTZBS-UHFFFAOYSA-N -1 0 348.200 3.307 20 30 EGEDRM CC(N=Nc1ccc(C(C)(C)C)nn1)c1cccc(OCC(=O)[O-])c1 ZINC001319243269 1386022534 /nfs/dbraw/zinc/02/25/34/1386022534.db2.gz JXAYUTLKDJZNOE-UHFFFAOYSA-N -1 0 342.399 3.074 20 30 EGEDRM C=CC[C@@H](NC(=O)c1csc(-c2ccccc2Cl)n1)C(=O)[O-] ZINC001321337977 1386879825 /nfs/dbraw/zinc/87/98/25/1386879825.db2.gz DZLCNIWAILOLPW-LLVKDONJSA-N -1 0 336.800 3.223 20 30 EGEDRM N#Cc1cc(NC(=O)C2CN(c3ccc(Cl)cc3)C2)c([O-])cc1F ZINC001181538120 1387012360 /nfs/dbraw/zinc/01/23/60/1387012360.db2.gz XQOJVGIPKSAKBB-UHFFFAOYSA-N -1 0 345.761 3.131 20 30 EGEDRM C=CC[C@H](NC(=O)c1csc(-c2cccc(Cl)c2)n1)C(=O)[O-] ZINC001322603139 1387212238 /nfs/dbraw/zinc/21/22/38/1387212238.db2.gz ZVTJMUZGMSNRJB-NSHDSACASA-N -1 0 336.800 3.223 20 30 EGEDRM N#Cc1cc(NC(=O)Cn2ccc3c2cccc3F)c([O-])cc1F ZINC001182826451 1387230991 /nfs/dbraw/zinc/23/09/91/1387230991.db2.gz FWJCIDJTRLWGEU-UHFFFAOYSA-N -1 0 327.290 3.135 20 30 EGEDRM CC(C)c1ccc(N(C)c2nnc(-c3c[n-]c(=O)c(C#N)c3)n2C)cc1 ZINC001338059054 1389531398 /nfs/dbraw/zinc/53/13/98/1389531398.db2.gz HYIVNLNGMVUPGH-UHFFFAOYSA-N -1 0 348.410 3.346 20 30 EGEDRM CCc1c(C([O-])=C(C#N)c2cccc(F)n2)cnn1-c1ccccc1 ZINC001343311257 1390706690 /nfs/dbraw/zinc/70/66/90/1390706690.db2.gz DZKPIIGPXQDLBN-AWEZNQCLSA-N -1 0 334.354 3.459 20 30 EGEDRM Cc1cc(C)n2ncc(C([O-])=C(C#N)c3nc4c(cccc4C)[nH]3)c2n1 ZINC001343348845 1390708756 /nfs/dbraw/zinc/70/87/56/1390708756.db2.gz STMSQAXPVRYCCK-CYBMUJFWSA-N -1 0 344.378 3.021 20 30 EGEDRM Cc1nc(Cl)ccc1C([O-])=C(C#N)c1nc(N)c2ccccc2n1 ZINC001343469903 1390716133 /nfs/dbraw/zinc/71/61/33/1390716133.db2.gz JGJJHTOBGRHNJY-GFCCVEGCSA-N -1 0 337.770 3.059 20 30 EGEDRM Cc1nc2c(nccc2C([O-])=C(C#N)c2nc(C(C)C)cs2)[nH]1 ZINC001344846893 1390818805 /nfs/dbraw/zinc/81/88/05/1390818805.db2.gz FUGBSRLUXQWAFR-LLVKDONJSA-N -1 0 325.397 3.336 20 30 EGEDRM CN(c1nnc(-c2c[n-]c(=O)c(C#N)c2)n1CC1CC1)c1ccccc1 ZINC001346052069 1390903384 /nfs/dbraw/zinc/90/33/84/1390903384.db2.gz YNKFNEXRWWDMOQ-UHFFFAOYSA-N -1 0 346.394 3.095 20 30 EGEDRM Cn1cc(C([O-])=C(C#N)c2cccc(F)n2)c(C2CCCCC2)n1 ZINC001347126120 1391004762 /nfs/dbraw/zinc/00/47/62/1391004762.db2.gz ZLUMAMIZHDTPGL-ZDUSSCGKSA-N -1 0 326.375 3.492 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)Nc2ccc(F)cc2Cl)cc1C#N ZINC001348528982 1391232577 /nfs/dbraw/zinc/23/25/77/1391232577.db2.gz KQAACWTVXJNNQX-UHFFFAOYSA-N -1 0 337.763 3.426 20 30 EGEDRM C=CCCC[C@@H](C)NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000823894553 1426455444 /nfs/dbraw/zinc/45/54/44/1426455444.db2.gz SWLZNMXCKUIFHI-GFCCVEGCSA-N -1 0 345.451 3.290 20 30 EGEDRM Brc1ccccc1NN=Cc1ccccc1-c1nn[n-]n1 ZINC000823832536 1428424022 /nfs/dbraw/zinc/42/40/22/1428424022.db2.gz QHFYHNCDGPCEOT-UHFFFAOYSA-N -1 0 343.188 3.075 20 30 EGEDRM Brc1ccccc1NN=Cc1ccc(-c2nn[n-]n2)s1 ZINC000819688312 1423699273 /nfs/dbraw/zinc/69/92/73/1423699273.db2.gz GIFBGUHUGOKQCL-UHFFFAOYSA-N -1 0 349.217 3.137 20 30 EGEDRM C[C@@H](OC(=O)C=Cc1ccccc1C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000820486743 1424398770 /nfs/dbraw/zinc/39/87/70/1424398770.db2.gz CPSKRNIPTDPQBT-OCHBPSSRSA-N -1 0 345.362 3.056 20 30 EGEDRM C[C@H]1CCC[C@H](CCSc2nc(N)c(C#N)cc2-c2nn[n-]n2)C1 ZINC000820697684 1426121923 /nfs/dbraw/zinc/12/19/23/1426121923.db2.gz KJGHIWGUAHHNDQ-WDEREUQCSA-N -1 0 343.460 3.024 20 30 EGEDRM Cc1ccc(C)c(C(C)N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)c1 ZINC000823953649 1426192607 /nfs/dbraw/zinc/19/26/07/1426192607.db2.gz KDHCFPBDNALOKL-UHFFFAOYSA-N -1 0 341.806 3.368 20 30 EGEDRM N#Cc1cc2ccccc2nc1NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822823079 1426785873 /nfs/dbraw/zinc/78/58/73/1426785873.db2.gz KEBXNFCDHDLMQK-UHFFFAOYSA-N -1 0 345.341 3.038 20 30 EGEDRM COCCCC(C)N=Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821687080 1426831388 /nfs/dbraw/zinc/83/13/88/1426831388.db2.gz NMZFIUXLWJAJGV-UHFFFAOYSA-N -1 0 342.325 3.100 20 30 EGEDRM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2ccc(F)c(Cl)c2)o1 ZINC000824353053 1427274397 /nfs/dbraw/zinc/27/43/97/1427274397.db2.gz WCEUJZVXXMDHBM-UHFFFAOYSA-N -1 0 349.757 3.217 20 30 EGEDRM Clc1cnc(N=NCc2ccc(-c3nn[n-]n3)s2)c(Cl)c1 ZINC000822590711 1427570817 /nfs/dbraw/zinc/57/08/17/1427570817.db2.gz NHJAOXNBMZNGMF-UHFFFAOYSA-N -1 0 340.199 3.076 20 30 EGEDRM C[C@@H]1C[C@H]1c1ccc(C=NNc2cc(-c3nnn[n-]3)cc(Cl)n2)o1 ZINC000824897831 1427599066 /nfs/dbraw/zinc/59/90/66/1427599066.db2.gz BNOIHFHNJVRNGV-LDYMZIIASA-N -1 0 343.778 3.078 20 30 EGEDRM CC(C)(C#N)COC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000824058936 1427933526 /nfs/dbraw/zinc/93/35/26/1427933526.db2.gz JTXJVKYQTOQHIW-UHFFFAOYSA-N -1 0 347.378 3.240 20 30 EGEDRM CCCn1c2ccc(C#N)cc2nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000825353446 1428009136 /nfs/dbraw/zinc/00/91/36/1428009136.db2.gz XFYJJZYMCKLSEY-UHFFFAOYSA-N -1 0 329.367 3.165 20 30 EGEDRM CC(C)c1nc(-c2nn[n-]n2)c(N=NC[C@@H]2C[C@H]2c2ccccc2)o1 ZINC000824352440 1429858007 /nfs/dbraw/zinc/85/80/07/1429858007.db2.gz DGDPARVFQNFPCB-STQMWFEESA-N -1 0 337.387 3.180 20 30 EGEDRM COc1ccc2c(c1)C(=O)C(=Cc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000737113325 1441746278 /nfs/dbraw/zinc/74/62/78/1441746278.db2.gz BXUHZYCSAXIURV-GDNBJRDFSA-N -1 0 332.363 3.088 20 30 EGEDRM CC(=NN=c1[nH]c2ccccc2s1)c1ccc(-c2nn[n-]n2)s1 ZINC000823962593 1441941307 /nfs/dbraw/zinc/94/13/07/1441941307.db2.gz LTPYVXALMRMBGN-UHFFFAOYSA-N -1 0 341.425 3.374 20 30 EGEDRM Fc1cc(-c2nn[n-]n2)ccc1C=NNc1cccc2ncccc21 ZINC000822739676 1441953480 /nfs/dbraw/zinc/95/34/80/1441953480.db2.gz BLDGJDFCUUWWNK-UHFFFAOYSA-N -1 0 333.330 3.000 20 30 EGEDRM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1cccc(Cl)c1 ZINC000819773949 1442455258 /nfs/dbraw/zinc/45/52/58/1442455258.db2.gz XWKSXQXSHZBTPR-UHFFFAOYSA-N -1 0 326.791 3.034 20 30 EGEDRM COc1ccc(Cl)cc1C(=O)C=Cc1ccc(-c2nn[n-]n2)s1 ZINC000821823697 1443294517 /nfs/dbraw/zinc/29/45/17/1443294517.db2.gz AOMDYYBZBSWVNT-HWKANZROSA-N -1 0 346.799 3.486 20 30 EGEDRM CCOc1ccc(C=N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c(O)c1 ZINC000821417798 1443640352 /nfs/dbraw/zinc/64/03/52/1443640352.db2.gz RYWABVYQWXTIKO-MKFNJMOCSA-N -1 0 337.383 3.151 20 30 EGEDRM Clc1ccccc1NN=Cc1c[nH]c2ccc(-c3nn[n-]n3)cc12 ZINC000822589927 1443648801 /nfs/dbraw/zinc/64/88/01/1443648801.db2.gz DOYXCDOHFAWKRE-UHFFFAOYSA-N -1 0 337.774 3.447 20 30 EGEDRM CCCCCCCCC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000736448884 1443676897 /nfs/dbraw/zinc/67/68/97/1443676897.db2.gz PQWNIFQTIQMXML-UHFFFAOYSA-N -1 0 326.404 3.427 20 30 EGEDRM COc1ccc(NN=Cc2cc(-c3nn[n-]n3)cs2)cc1Cl ZINC000826210294 1443830423 /nfs/dbraw/zinc/83/04/23/1443830423.db2.gz LTDAZPRXXISYFS-UHFFFAOYSA-N -1 0 334.792 3.036 20 30 EGEDRM CCCCCCCCn1cc(-c2nn[n-]n2)c(=O)c2nc(C)ccc21 ZINC000825271582 1443953221 /nfs/dbraw/zinc/95/32/21/1443953221.db2.gz LFEOYOABOGIYKQ-UHFFFAOYSA-N -1 0 340.431 3.246 20 30 EGEDRM COc1ccc(C)cc1C=CC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000826190393 1446500404 /nfs/dbraw/zinc/50/04/04/1446500404.db2.gz ZQTIFHUEAAMSKJ-SNAWJCMRSA-N -1 0 326.381 3.141 20 30 EGEDRM CCOc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000825639453 1446535640 /nfs/dbraw/zinc/53/56/40/1446535640.db2.gz WJJINMFWSMYAMP-YVMONPNESA-N -1 0 326.381 3.223 20 30 EGEDRM C[C@@H](CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)CC(C)(C)C ZINC000735974924 1446849602 /nfs/dbraw/zinc/84/96/02/1446849602.db2.gz DPDWGNUFLLGNDC-NSHDSACASA-N -1 0 326.404 3.139 20 30 EGEDRM C=C[C@@H](CC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000823882838 1447208579 /nfs/dbraw/zinc/20/85/79/1447208579.db2.gz DTUPZJJGESKMQG-LBPRGKRZSA-N -1 0 337.358 3.304 20 30 EGEDRM CC(C)[C@H]1CC[C@H](C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)CC1 ZINC000824342271 1447268840 /nfs/dbraw/zinc/26/88/40/1447268840.db2.gz OIVXHZNVVKKJGG-JOCQHMNTSA-N -1 0 338.415 3.139 20 30 EGEDRM C=CCOc1ccc(OCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000819759214 1447284579 /nfs/dbraw/zinc/28/45/79/1447284579.db2.gz QCRAFXMTWREHMO-UHFFFAOYSA-N -1 0 326.331 3.150 20 30 EGEDRM C=CC[C@H](NC(=O)N[C@@H](C(=O)[O-])C1CCCCC1)c1ccncc1 ZINC000780578847 939138159 /nfs/dbraw/zinc/13/81/59/939138159.db2.gz ZOUVBLJLIYHOBG-JKSUJKDBSA-N -1 0 331.416 3.032 20 30 EGEDRM C=CCCO[C@@H](C)C(=O)N[C@H](C(=O)[O-])c1cccc2ccccc21 ZINC000910939389 939762643 /nfs/dbraw/zinc/76/26/43/939762643.db2.gz ZDQKJQLGHZZYQV-GUYCJALGSA-N -1 0 327.380 3.063 20 30 EGEDRM C#CCN(C(=O)Cc1ccccc1C(=O)[O-])[C@H]1CCCc2ccccc21 ZINC001602675710 971253157 /nfs/dbraw/zinc/25/31/57/971253157.db2.gz KCIYITSXOBJBEL-FQEVSTJZSA-N -1 0 347.414 3.467 20 30 EGEDRM C[C@](C#N)(CCc1ccccc1)NC(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001602781506 971524629 /nfs/dbraw/zinc/52/46/29/971524629.db2.gz AQKKPOCFVPZSDC-IBHIWXBSSA-N -1 0 338.363 3.022 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)OCc1ccc(-c2cccs2)cc1 ZINC001602782095 971528600 /nfs/dbraw/zinc/52/86/00/971528600.db2.gz PFRHUDBXRBUENV-QGZVFWFLSA-N -1 0 329.377 3.463 20 30 EGEDRM C[C@H](C#N)CSc1ccccc1NC(=O)CSCCC(=O)[O-] ZINC001602786546 971536488 /nfs/dbraw/zinc/53/64/88/971536488.db2.gz XIZVELXNTSPCKS-LLVKDONJSA-N -1 0 338.454 3.085 20 30 EGEDRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2cccc(SCC#N)c2)C1 ZINC001589605949 949267883 /nfs/dbraw/zinc/26/78/83/949267883.db2.gz WYQAVKQZRHEMEN-QGZVFWFLSA-N -1 0 332.425 3.019 20 30 EGEDRM CCCC[C@H](ON=C(C)C)C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC001589640029 949677923 /nfs/dbraw/zinc/67/79/23/949677923.db2.gz VXHFJQWGKUBPSX-CABCVRRESA-N -1 0 326.437 3.204 20 30 EGEDRM CCCC[C@H](ON=C(C)C)C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC001589640030 949678328 /nfs/dbraw/zinc/67/83/28/949678328.db2.gz VXHFJQWGKUBPSX-GJZGRUSLSA-N -1 0 326.437 3.204 20 30 EGEDRM CCCC[C@@H](ON=C(C)C)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001589640099 949680640 /nfs/dbraw/zinc/68/06/40/949680640.db2.gz ZGPGSXFVYUYGAB-LSDHHAIUSA-N -1 0 326.437 3.061 20 30 EGEDRM N#Cc1ccc(N[C@H]2CCC[C@H]2C(=O)[O-])c(F)c1Br ZINC000231842370 949757081 /nfs/dbraw/zinc/75/70/81/949757081.db2.gz MUQRXXMHAIQJHG-BDAKNGLRSA-N -1 0 327.153 3.125 20 30 EGEDRM O=C([O-])[C@H]1CCCN1C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC001595199987 952309060 /nfs/dbraw/zinc/30/90/60/952309060.db2.gz IGFYWPLHLVSRSO-GOSISDBHSA-N -1 0 334.375 3.167 20 30 EGEDRM CC(C)(Cc1ccc(C#N)cc1)NC(=O)Nc1ccccc1C(=O)[O-] ZINC001602948961 971924547 /nfs/dbraw/zinc/92/45/47/971924547.db2.gz VCRHJZSJNWQAMK-UHFFFAOYSA-N -1 0 337.379 3.399 20 30 EGEDRM CC(C)C[C@H](CNC(=O)C(C)(C)c1cc(F)cc(C#N)c1)CC(=O)[O-] ZINC001603042586 972107440 /nfs/dbraw/zinc/10/74/40/972107440.db2.gz SRDPSIPJPKJOCA-AWEZNQCLSA-N -1 0 348.418 3.228 20 30 EGEDRM C#CC[C@H](NC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1ccccc1 ZINC000848581011 955752817 /nfs/dbraw/zinc/75/28/17/955752817.db2.gz JEWODZZMHUYKJW-LLLHUVSDSA-N -1 0 342.439 3.186 20 30 EGEDRM CC(C)C[C@H](CNC(=O)Nc1ccccc1O[C@@H](C)C#N)CC(=O)[O-] ZINC000853095181 955902705 /nfs/dbraw/zinc/90/27/05/955902705.db2.gz TVFLGMIFQIMTNI-KBPBESRZSA-N -1 0 347.415 3.236 20 30 EGEDRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2ccc(C3CC3)c(C#N)c2)C1 ZINC000887393181 956258052 /nfs/dbraw/zinc/25/80/52/956258052.db2.gz RZDWLGMWOKQHAA-SMDDNHRTSA-N -1 0 327.384 3.010 20 30 EGEDRM N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)NCc1ccccc1C(=O)[O-] ZINC001594627727 956324776 /nfs/dbraw/zinc/32/47/76/956324776.db2.gz ULBZUNZRUKVYAS-SFHVURJKSA-N -1 0 349.390 3.133 20 30 EGEDRM CC1(C(=O)[O-])CCN(c2c(C#N)cnc3c(F)ccc(F)c32)CC1 ZINC001589202421 956642486 /nfs/dbraw/zinc/64/24/86/956642486.db2.gz RDMVMSRDUANEII-UHFFFAOYSA-N -1 0 331.322 3.076 20 30 EGEDRM CN(C)c1ccc(C(=O)/C=C/c2ccc(OCC(=O)[O-])cc2)cc1 ZINC000007586653 956882433 /nfs/dbraw/zinc/88/24/33/956882433.db2.gz VAKDEUHHEOESKC-LFYBBSHMSA-N -1 0 325.364 3.112 20 30 EGEDRM C=CCN(c1ccccc1)S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000013087829 956940712 /nfs/dbraw/zinc/94/07/12/956940712.db2.gz XLOQDNOHCUUFIN-JLHYYAGUSA-N -1 0 343.404 3.166 20 30 EGEDRM C#CCN(C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21)C1CCCCC1 ZINC001121927373 957239378 /nfs/dbraw/zinc/23/93/78/957239378.db2.gz WAZTVLAETCPXCM-MSOLQXFVSA-N -1 0 340.423 3.277 20 30 EGEDRM Cc1cc(C(=O)[O-])cc(C(=O)Nc2cc(C#N)cn2C(C)(C)C)c1 ZINC001594288412 957797211 /nfs/dbraw/zinc/79/72/11/957797211.db2.gz OOBXNZRUTBZDHM-UHFFFAOYSA-N -1 0 325.368 3.374 20 30 EGEDRM Cc1cc(NC(=O)N(C)CCc2cccc(C#N)c2)ccc1C(=O)[O-] ZINC001594318432 958099132 /nfs/dbraw/zinc/09/91/32/958099132.db2.gz XEPWTTQGFXMHQX-UHFFFAOYSA-N -1 0 337.379 3.271 20 30 EGEDRM C=CCC1(NC(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)CCCCC1 ZINC001573328299 958498426 /nfs/dbraw/zinc/49/84/26/958498426.db2.gz FAADCYPEINXCFG-UHFFFAOYSA-N -1 0 334.420 3.103 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(SC(F)(F)F)cc1 ZINC001588541831 958965767 /nfs/dbraw/zinc/96/57/67/958965767.db2.gz NGNUYBXVVHBNFA-GFCCVEGCSA-N -1 0 332.303 3.242 20 30 EGEDRM CC(C)(C)C1CCC(C#N)(NC(=O)c2ccc(C(=O)[O-])nc2)CC1 ZINC001588642335 959700279 /nfs/dbraw/zinc/70/02/79/959700279.db2.gz BLLKYQFWUFHSOA-UHFFFAOYSA-N -1 0 329.400 3.008 20 30 EGEDRM Cc1cc(C(=O)[O-])cc(C(=O)N[C@](C)(C#N)CCc2ccccc2)c1 ZINC001574315671 960784482 /nfs/dbraw/zinc/78/44/82/960784482.db2.gz RWTSVRXEWSIFFX-FQEVSTJZSA-N -1 0 336.391 3.338 20 30 EGEDRM CC(C)[C@@H](CNC(=O)c1ccc(C#Cc2ccccc2)cc1)C(=O)[O-] ZINC001588829501 961683744 /nfs/dbraw/zinc/68/37/44/961683744.db2.gz GYOJPTDMUXCIEI-LJQANCHMSA-N -1 0 335.403 3.173 20 30 EGEDRM CC(C)C[C@H](CNC(=O)C[C@@H](CC#N)c1ccccc1)CC(=O)[O-] ZINC001588888157 962196302 /nfs/dbraw/zinc/19/63/02/962196302.db2.gz QSJNJQDOYOHWAS-DOTOQJQBSA-N -1 0 330.428 3.327 20 30 EGEDRM C#Cc1cccc(NC(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c1 ZINC001573314073 962740996 /nfs/dbraw/zinc/74/09/96/962740996.db2.gz WETDCBKFUVVVIL-ZWKOTPCHSA-N -1 0 334.375 3.000 20 30 EGEDRM C=C(CC(C)C)C(=O)NCc1ccc(C(=O)[O-])cc1Br ZINC001573325808 962799159 /nfs/dbraw/zinc/79/91/59/962799159.db2.gz OOOPBPCFGQJVBN-UHFFFAOYSA-N -1 0 340.217 3.366 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1cc(OC)c(C(C)C)c(OC)c1)C(=O)[O-] ZINC001573366005 963056820 /nfs/dbraw/zinc/05/68/20/963056820.db2.gz JNNZQHPDGQJMED-CQSZACIVSA-N -1 0 349.427 3.367 20 30 EGEDRM C=CCO[C@@H]1CCN([C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)C1 ZINC001573368957 963090021 /nfs/dbraw/zinc/09/00/21/963090021.db2.gz MGXIWGWYLWMALG-KGLIPLIRSA-N -1 0 329.318 3.108 20 30 EGEDRM C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1cccc(C(=O)[O-])c1OC(C)C ZINC001573379449 963108267 /nfs/dbraw/zinc/10/82/67/963108267.db2.gz IOXVZHNEKKEHQV-HIFRSBDPSA-N -1 0 348.399 3.027 20 30 EGEDRM C=CCCN(C)C(=O)Nc1cc(C(=O)[O-])c(Br)cc1C ZINC000312369191 963556416 /nfs/dbraw/zinc/55/64/16/963556416.db2.gz AJYIPJFTUWTWBZ-UHFFFAOYSA-N -1 0 341.205 3.496 20 30 EGEDRM N#Cc1cc(Br)cnc1Oc1cccc(CC(=O)[O-])c1 ZINC000312662570 963581528 /nfs/dbraw/zinc/58/15/28/963581528.db2.gz MMWLHWFODUKZGL-UHFFFAOYSA-N -1 0 333.141 3.135 20 30 EGEDRM C#CCCCCCC(=O)NCCc1cc2ccc(C(=O)[O-])cc2o1 ZINC001588440929 964047548 /nfs/dbraw/zinc/04/75/48/964047548.db2.gz YWKQYJKCGAWEAT-UHFFFAOYSA-N -1 0 327.380 3.373 20 30 EGEDRM Cc1c2cc(C#N)ccc2sc1C(=O)N1CCC[C@H](C)[C@@H]1C(=O)[O-] ZINC001605077368 972712640 /nfs/dbraw/zinc/71/26/40/972712640.db2.gz UBCVGBLNZBZKBF-ZUZCIYMTSA-N -1 0 342.420 3.407 20 30 EGEDRM Cc1cc(F)c(C#N)cc1NC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-] ZINC001605180375 972898675 /nfs/dbraw/zinc/89/86/75/972898675.db2.gz XTNNSROOABIHTD-CYBMUJFWSA-N -1 0 335.379 3.407 20 30 EGEDRM C[C@H]1c2c(C#N)c(NC(=O)C3(C(=O)[O-])CCC3)sc2CC[C@@H]1C ZINC001603438846 973209658 /nfs/dbraw/zinc/20/96/58/973209658.db2.gz FFLAEEFRQLIAOE-VHSXEESVSA-N -1 0 332.425 3.499 20 30 EGEDRM O=C([O-])CC[C@H]1Cc2ccccc2N(C(=O)C#Cc2ccccc2)C1 ZINC001606135602 973381530 /nfs/dbraw/zinc/38/15/30/973381530.db2.gz HWYYQXMTVJKEQZ-KRWDZBQOSA-N -1 0 333.387 3.108 20 30 EGEDRM CC[C@H](C)[C@H](NC(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1)C(=O)[O-] ZINC001603927402 974420642 /nfs/dbraw/zinc/42/06/42/974420642.db2.gz YKCSPEBQHOHBDV-NHYWBVRUSA-N -1 0 347.415 3.356 20 30 EGEDRM C[C@@H](CCC#N)CN1Cc2sc(C(=O)[O-])c(Br)c2C1 ZINC001592471627 978233116 /nfs/dbraw/zinc/23/31/16/978233116.db2.gz ULGYCNJQTPOZTK-QMMMGPOBSA-N -1 0 343.246 3.464 20 30 EGEDRM Cc1cc(Cl)cc2c1OCCC2N=Nc1ccc(C(=O)[O-])cn1 ZINC000763367747 978720594 /nfs/dbraw/zinc/72/05/94/978720594.db2.gz GVERJCZSNAZIRQ-UHFFFAOYSA-N -1 0 331.759 3.340 20 30 EGEDRM COc1cccc2cc(C(C)N=Nc3ccc(C(=O)[O-])cn3)oc21 ZINC000763368108 978721389 /nfs/dbraw/zinc/72/13/89/978721389.db2.gz KKRSXYWXQPTLRU-UHFFFAOYSA-N -1 0 325.324 3.371 20 30 EGEDRM C=CCOc1ccc(/C=C/C(=O)N[C@](C)(CC)CC(=O)[O-])cc1OC ZINC000767052959 978732297 /nfs/dbraw/zinc/73/22/97/978732297.db2.gz XGTBPDANRLWGAJ-LHUXKHBRSA-N -1 0 347.411 3.033 20 30 EGEDRM COc1ccccc1CON=Cc1cn(CC(=O)[O-])c2ccccc12 ZINC000799888563 978845368 /nfs/dbraw/zinc/84/53/68/978845368.db2.gz PNQNBOFDPNORSB-UHFFFAOYSA-N -1 0 338.363 3.285 20 30 EGEDRM CC[C@H](CC(F)(F)F)C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001595038007 979206986 /nfs/dbraw/zinc/20/69/86/979206986.db2.gz BRSJBCJRDGCRNL-PWSUYJOCSA-N -1 0 329.274 3.206 20 30 EGEDRM N#CC1(C(=O)Nc2ccc(N3CCCCC3)c(C(=O)[O-])c2)CCCC1 ZINC000841502416 979305381 /nfs/dbraw/zinc/30/53/81/979305381.db2.gz FTOSWROCQAAWBX-UHFFFAOYSA-N -1 0 341.411 3.398 20 30 EGEDRM C#CC[C@@H]1CCCN(C(=O)c2ccccc2S[C@@H](C)C(=O)[O-])C1 ZINC000851615904 979538099 /nfs/dbraw/zinc/53/80/99/979538099.db2.gz KRBYETLHHMPBOH-UONOGXRCSA-N -1 0 331.437 3.127 20 30 EGEDRM C#CC[C@@H]1CCCN(C(=O)c2ccccc2S[C@H](C)C(=O)[O-])C1 ZINC000851615907 979538140 /nfs/dbraw/zinc/53/81/40/979538140.db2.gz KRBYETLHHMPBOH-ZIAGYGMSSA-N -1 0 331.437 3.127 20 30 EGEDRM C[C@@](Cc1ccc(Cl)cc1)(NC(=O)c1cscc1C#N)C(=O)[O-] ZINC001592840940 979610779 /nfs/dbraw/zinc/61/07/79/979610779.db2.gz VFHCNDUDGMDAOI-INIZCTEOSA-N -1 0 348.811 3.089 20 30 EGEDRM C[C@@H](Cc1ccc(NC(=O)N2CCC[C@@H](CC#N)C2)cc1)C(=O)[O-] ZINC001592861240 979696542 /nfs/dbraw/zinc/69/65/42/979696542.db2.gz QIRUELFDXXBGKS-ZFWWWQNUSA-N -1 0 329.400 3.107 20 30 EGEDRM C[C@H](Cc1ccc(NC(=O)N2Cc3cccc(C#N)c3C2)cc1)C(=O)[O-] ZINC001592865572 979706707 /nfs/dbraw/zinc/70/67/07/979706707.db2.gz DESOSZNXTSRZJZ-CYBMUJFWSA-N -1 0 349.390 3.369 20 30 EGEDRM C=CCC(CC=C)C(=O)N1CCc2c(C(=O)[O-])ccc(OC)c2C1 ZINC000872758181 980145128 /nfs/dbraw/zinc/14/51/28/980145128.db2.gz SSKHWGSQOJNUKP-UHFFFAOYSA-N -1 0 329.396 3.047 20 30 EGEDRM C[C@@H](NC(=O)C12CCC(C(=O)[O-])(CC1)CC2)c1ccc(C#N)cc1 ZINC001592998764 980208766 /nfs/dbraw/zinc/20/87/66/980208766.db2.gz OEBBCUWOJSBTSW-XYJCDUHRSA-N -1 0 326.396 3.161 20 30 EGEDRM C=C1CCC(C(=O)N[C@](C)(CC(=O)[O-])c2cccc(OC)c2)CC1 ZINC000909821086 981642750 /nfs/dbraw/zinc/64/27/50/981642750.db2.gz OHZATVHXDZJQDR-LJQANCHMSA-N -1 0 331.412 3.248 20 30 EGEDRM Cc1ccc(C)c(NC(=S)NN=Cc2ccccc2C(=O)[O-])c1 ZINC000915912842 982670650 /nfs/dbraw/zinc/67/06/50/982670650.db2.gz YGMQLDUZMWIPJV-UHFFFAOYSA-N -1 0 327.409 3.322 20 30 EGEDRM C[C@@H]1CCC[C@@H](NC(=S)NN=Cc2ccc(C(=O)[O-])cc2)[C@H]1C ZINC000916352079 982675511 /nfs/dbraw/zinc/67/55/11/982675511.db2.gz IMZQDDMQRCCRNC-TYNCELHUSA-N -1 0 333.457 3.008 20 30 EGEDRM N#C[C@@]1(C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)CC12CCCC2 ZINC000923070940 982705917 /nfs/dbraw/zinc/70/59/17/982705917.db2.gz UZAOTWJEFCEXDI-QGZVFWFLSA-N -1 0 348.786 3.216 20 30 EGEDRM COc1cc(NC(=O)[C@@]2(C#N)CC3CCC2CC3)ccc1C(=O)[O-] ZINC000923084533 982713902 /nfs/dbraw/zinc/71/39/02/982713902.db2.gz ZUYYHDYAKLMXIY-NBZRYXJFSA-N -1 0 328.368 3.052 20 30 EGEDRM N#C[C@]1(C(=O)NC[C@@H](C(=O)[O-])C2CCCCC2)CC2CCC1CC2 ZINC000923098109 982722532 /nfs/dbraw/zinc/72/25/32/982722532.db2.gz FYOFMZZGTOEULJ-VLEUTVDFSA-N -1 0 332.444 3.104 20 30 EGEDRM C#C[C@H](CC)NC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC001588369281 983312669 /nfs/dbraw/zinc/31/26/69/983312669.db2.gz HSEKOTWDGFSTSN-GOSISDBHSA-N -1 0 346.386 3.318 20 30 EGEDRM C#C[C@@H](C)Oc1ccc(COC(=O)c2cccc(CC(=O)[O-])c2)cc1 ZINC001588369889 983317920 /nfs/dbraw/zinc/31/79/20/983317920.db2.gz ZRWIELDTXMPTAS-CQSZACIVSA-N -1 0 338.359 3.071 20 30 EGEDRM C#C[C@@H](NC(=O)NCCCCCCC(=O)[O-])c1ccc(Cl)cc1 ZINC001588372556 983331617 /nfs/dbraw/zinc/33/16/17/983331617.db2.gz NHOAKLXIKFECKS-OAHLLOKOSA-N -1 0 336.819 3.349 20 30 EGEDRM C#C[C@@H](NC(=O)Nc1ccc(F)c(C(=O)[O-])c1F)c1ccccc1 ZINC001588374540 983345156 /nfs/dbraw/zinc/34/51/56/983345156.db2.gz YWKFQGRALSNUDT-GFCCVEGCSA-N -1 0 330.290 3.159 20 30 EGEDRM C#C[C@@H](NC(=O)c1ccsc1C(=O)[O-])c1ccc(Cl)cc1F ZINC001588376670 983353138 /nfs/dbraw/zinc/35/31/38/983353138.db2.gz FWEOCDJPRMIWPD-GFCCVEGCSA-N -1 0 337.759 3.343 20 30 EGEDRM C#C[C@@H]1CCCN(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)C1 ZINC001588383232 983378858 /nfs/dbraw/zinc/37/88/58/983378858.db2.gz PVTYDLPTXRJTCA-CQSZACIVSA-N -1 0 346.452 3.272 20 30 EGEDRM C#CCOc1ccc(COC(=O)c2cc(C(=O)[O-])ccc2Cl)cc1 ZINC001588497629 983540144 /nfs/dbraw/zinc/54/01/44/983540144.db2.gz RKQCPHHTHQHVEE-UHFFFAOYSA-N -1 0 344.750 3.407 20 30 EGEDRM C#Cc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2OCC(F)F)cc1 ZINC001588516566 983561259 /nfs/dbraw/zinc/56/12/59/983561259.db2.gz PRKKVBYNDWGEQL-UHFFFAOYSA-N -1 0 345.301 3.262 20 30 EGEDRM C#Cc1ccc(CNC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC001588516898 983562604 /nfs/dbraw/zinc/56/26/04/983562604.db2.gz HDCVSBSNMGDYRD-UHFFFAOYSA-N -1 0 328.755 3.341 20 30 EGEDRM C=C(C)[C@H](CC(=O)Nc1ccc(OCC)c(F)c1C(=O)[O-])OCC ZINC001588536171 983592466 /nfs/dbraw/zinc/59/24/66/983592466.db2.gz VDQZHPAHIKCKEF-ZDUSSCGKSA-N -1 0 339.363 3.232 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)CCOc1cc(Cl)ccc1Cl)C(=O)[O-] ZINC001588540898 983605189 /nfs/dbraw/zinc/60/51/89/983605189.db2.gz OIMNGAWBYQOUBD-GFCCVEGCSA-N -1 0 346.210 3.298 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)c1ccc(Nc2nc(C)cs2)cc1)C(=O)[O-] ZINC001588546450 983615385 /nfs/dbraw/zinc/61/53/85/983615385.db2.gz LIISBNIFFONFAD-CQSZACIVSA-N -1 0 345.424 3.344 20 30 EGEDRM C=C(C)C[C@H](NC(=O)c1ccc(N2CCCCCC2)cc1)C(=O)[O-] ZINC001588546626 983616187 /nfs/dbraw/zinc/61/61/87/983616187.db2.gz OSTARCNWWRFGME-KRWDZBQOSA-N -1 0 330.428 3.216 20 30 EGEDRM C=C(C)Cn1c(C2CCCC2)nnc1N1CCC[C@](C)(C(=O)[O-])C1 ZINC001588592410 983677663 /nfs/dbraw/zinc/67/76/63/983677663.db2.gz XPQRFRJIMQEVTM-SFHVURJKSA-N -1 0 332.448 3.203 20 30 EGEDRM C=C(C)Cn1c(N2CCC(CCC(=O)[O-])CC2)nnc1C(C)(F)F ZINC001588598472 983684272 /nfs/dbraw/zinc/68/42/72/983684272.db2.gz DCLFGRDVBKLTGA-UHFFFAOYSA-N -1 0 342.390 3.047 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N1CCC(C(=O)c2ccc(C)cc2C)CC1 ZINC001588614450 983707541 /nfs/dbraw/zinc/70/75/41/983707541.db2.gz VLQLPNUUMBYOPL-UHFFFAOYSA-N -1 0 343.423 3.146 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N1CCCc2cc(Br)ccc21 ZINC001588615448 983712171 /nfs/dbraw/zinc/71/21/71/983712171.db2.gz UQYZTMMMIUUSEC-UHFFFAOYSA-N -1 0 338.201 3.149 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC001588618929 983713782 /nfs/dbraw/zinc/71/37/82/983713782.db2.gz FORLPABIFQMSIQ-JTQLQIEISA-N -1 0 326.190 3.047 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1c[nH]c2ccc(Br)cc12 ZINC001588630683 983745951 /nfs/dbraw/zinc/74/59/51/983745951.db2.gz XEINVXVXZSWXSL-UHFFFAOYSA-N -1 0 337.173 3.290 20 30 EGEDRM C=C[C@H](C(=O)N1C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C1)c1ccccc1 ZINC001588661803 983787913 /nfs/dbraw/zinc/78/79/13/983787913.db2.gz RYCKBYGVIZJTDQ-MJBXVCDLSA-N -1 0 341.329 3.068 20 30 EGEDRM C=CC(C)(C)CNC(=O)N1CCC[C@H]1c1nc(C(=O)[O-])c(C)s1 ZINC001588676812 983831439 /nfs/dbraw/zinc/83/14/39/983831439.db2.gz CKUIYYOSFXPJTG-NSHDSACASA-N -1 0 337.445 3.208 20 30 EGEDRM C=CC(C)(C)CCNC(=O)N1CCc2c(C(=O)[O-])ccc(OC)c2C1 ZINC001588676967 983832676 /nfs/dbraw/zinc/83/26/76/983832676.db2.gz MUWDSCKERXNERE-UHFFFAOYSA-N -1 0 346.427 3.063 20 30 EGEDRM C=CC1(CC(=O)N[C@H](C(=O)[O-])c2cccc(OC)c2)CCCCC1 ZINC001588719853 983962774 /nfs/dbraw/zinc/96/27/74/983962774.db2.gz ZFXKXEITSLHLEN-KRWDZBQOSA-N -1 0 331.412 3.464 20 30 EGEDRM C=CC[C@@H](CC)NS(=O)(=O)c1cccc2c(C(=O)[O-])cccc21 ZINC001588735491 984018457 /nfs/dbraw/zinc/01/84/57/984018457.db2.gz BLEPPXKWVLPAOA-GFCCVEGCSA-N -1 0 333.409 3.171 20 30 EGEDRM C=CC[C@H](Cc1ccccc1)NC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001588744521 984043394 /nfs/dbraw/zinc/04/33/94/984043394.db2.gz NXYNBCNVTICDGB-CQSZACIVSA-N -1 0 325.368 3.089 20 30 EGEDRM C=CC[C@@H](Sc1nnc(COc2cc(C)ccc2C)o1)C(=O)[O-] ZINC001588763665 984119969 /nfs/dbraw/zinc/11/99/69/984119969.db2.gz VPVAFBIYCBSOSG-CYBMUJFWSA-N -1 0 334.397 3.387 20 30 EGEDRM C=CCC1(NS(=O)(=O)c2ccsc2C(=O)[O-])CCCCC1 ZINC001588769584 984134079 /nfs/dbraw/zinc/13/40/79/984134079.db2.gz ZACSYYGZWNCFNY-UHFFFAOYSA-N -1 0 329.443 3.004 20 30 EGEDRM C=CC[C@@H]1CCCC[C@H]1NC(=O)NC(C)(C)c1nocc1C(=O)[O-] ZINC001588771342 984139034 /nfs/dbraw/zinc/13/90/34/984139034.db2.gz SDPSDUUAOXOSIJ-DGCLKSJQSA-N -1 0 335.404 3.042 20 30 EGEDRM C=CC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC001588771689 984140757 /nfs/dbraw/zinc/14/07/57/984140757.db2.gz XXRVMSGNXCPSTN-KBPBESRZSA-N -1 0 337.441 3.106 20 30 EGEDRM C=CCC[C@H](NC(=O)N1CCSC[C@H](C(=O)[O-])C1)c1ccccc1 ZINC001588779490 984166470 /nfs/dbraw/zinc/16/64/70/984166470.db2.gz ZIYXIZQQKJTFSI-CVEARBPZSA-N -1 0 348.468 3.153 20 30 EGEDRM C=CCCC[C@H](NC(=O)CCC(=O)c1ccc2c(c1)CCC2)C(=O)[O-] ZINC001588788405 984189365 /nfs/dbraw/zinc/18/93/65/984189365.db2.gz BEHFUPRLRPQPQY-KRWDZBQOSA-N -1 0 343.423 3.064 20 30 EGEDRM C=CCCC[C@@H](NS(=O)(=O)/C=C\c1ccc(Cl)cc1)C(=O)[O-] ZINC001588797487 984230005 /nfs/dbraw/zinc/23/00/05/984230005.db2.gz GFGHLNCHRCEXPQ-IWMPZKFUSA-N -1 0 343.832 3.040 20 30 EGEDRM C=CCCCCCCNS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F ZINC001588799718 984241247 /nfs/dbraw/zinc/24/12/47/984241247.db2.gz CHZOKWIQCUVYHM-UHFFFAOYSA-N -1 0 343.420 3.247 20 30 EGEDRM C=CCCOCC(=O)N(C)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001588809048 984264559 /nfs/dbraw/zinc/26/45/59/984264559.db2.gz WZAOBNJSUQCJGX-AWEZNQCLSA-N -1 0 346.210 3.170 20 30 EGEDRM C=CCCc1ccc(S(=O)(=O)Oc2ccccc2CC(=O)[O-])cc1 ZINC001588814509 984270813 /nfs/dbraw/zinc/27/08/13/984270813.db2.gz BBAWRDBNEHCJBD-UHFFFAOYSA-N -1 0 346.404 3.200 20 30 EGEDRM C=CCN(C(=O)Nc1sc(CC)cc1C(=O)[O-])[C@H](C)COC ZINC001588820799 984286158 /nfs/dbraw/zinc/28/61/58/984286158.db2.gz SJPSXTPINKIMBB-SNVBAGLBSA-N -1 0 326.418 3.064 20 30 EGEDRM C=CCN(CCc1ccco1)[C@@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC001588829387 984313849 /nfs/dbraw/zinc/31/38/49/984313849.db2.gz XMXGUXCWZLQSNA-AWEZNQCLSA-N -1 0 344.411 3.225 20 30 EGEDRM C=CCOc1ccc(-c2nnc(SCC3(C(=O)[O-])CC3)o2)cc1 ZINC001588869605 984439777 /nfs/dbraw/zinc/43/97/77/984439777.db2.gz PBPQRWNUZFQTQY-UHFFFAOYSA-N -1 0 332.381 3.258 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)CCc1ccco1 ZINC001588881680 984461040 /nfs/dbraw/zinc/46/10/40/984461040.db2.gz DWCGTMOXJGTHHP-UHFFFAOYSA-N -1 0 330.336 3.253 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001588885834 984469725 /nfs/dbraw/zinc/46/97/25/984469725.db2.gz YPPOKAHOYFXFQE-ZFWWWQNUSA-N -1 0 330.380 3.464 20 30 EGEDRM C=CCn1c(-c2ccccc2Cl)nnc1N1CCC(C(=O)[O-])CC1 ZINC001588888771 984475705 /nfs/dbraw/zinc/47/57/05/984475705.db2.gz CQHJAQPBTRUILH-UHFFFAOYSA-N -1 0 346.818 3.086 20 30 EGEDRM C=CCn1c(S[C@H](C(=O)[O-])C(C)(C)C)nnc1-c1cccnc1 ZINC001588905044 984534834 /nfs/dbraw/zinc/53/48/34/984534834.db2.gz NRXNIJHVEZASBL-GFCCVEGCSA-N -1 0 332.429 3.118 20 30 EGEDRM CC(=NNc1ccc(C)c(C(=O)[O-])c1)c1ccccc1-n1ccnn1 ZINC001589016281 984993740 /nfs/dbraw/zinc/99/37/40/984993740.db2.gz ADDORSHXGATUJX-UHFFFAOYSA-N -1 0 335.367 3.110 20 30 EGEDRM Cc1c2cc(C#N)ccc2sc1C(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC001599977351 986111615 /nfs/dbraw/zinc/11/16/15/986111615.db2.gz GYXPMBGBNNBYOV-SFHVURJKSA-N -1 0 342.420 3.408 20 30 EGEDRM CCc1nc(NC(=O)[C@@H](C)Cc2ccc(C#N)cc2)sc1C(=O)[O-] ZINC001597675990 988787438 /nfs/dbraw/zinc/78/74/38/988787438.db2.gz OMORHOOANYKJAF-JTQLQIEISA-N -1 0 343.408 3.093 20 30 EGEDRM CC(C)(C)c1ccc(C#N)c(N(CCC(F)(F)F)CC(=O)[O-])n1 ZINC001590472191 990043552 /nfs/dbraw/zinc/04/35/52/990043552.db2.gz LHCYIMDRYIQMHT-UHFFFAOYSA-N -1 0 329.322 3.094 20 30 EGEDRM CN(C(=O)C[C@H](CC#N)c1ccccc1)[C@@H](C(=O)[O-])c1ccccc1 ZINC001598006865 990161848 /nfs/dbraw/zinc/16/18/48/990161848.db2.gz BOEJDPUKRLJYEZ-PKOBYXMFSA-N -1 0 336.391 3.358 20 30 EGEDRM CC(C)(C)c1nc(NC(=O)C#Cc2cccs2)sc1C(=O)[O-] ZINC001590542483 990172679 /nfs/dbraw/zinc/17/26/79/990172679.db2.gz WVDQZDINZWCPIG-UHFFFAOYSA-N -1 0 334.422 3.191 20 30 EGEDRM CC(C)[C@H](CCc1ccccc1)C(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001590981544 991142014 /nfs/dbraw/zinc/14/20/14/991142014.db2.gz WKORCQRXVZHHEN-KRWDZBQOSA-N -1 0 342.439 3.108 20 30 EGEDRM CC(C)CCNC(=S)NN=C1CCC[C@@H](CCCC(=O)[O-])C1 ZINC001591245710 992138702 /nfs/dbraw/zinc/13/87/02/992138702.db2.gz BGCCCEZBYQINLN-ZDUSSCGKSA-N -1 0 327.494 3.298 20 30 EGEDRM CC(C)COc1ccc(CCNc2ccc(C(=O)[O-])nc2C#N)cc1 ZINC001591401752 992477366 /nfs/dbraw/zinc/47/73/66/992477366.db2.gz YOIOEXJMGQBNAK-UHFFFAOYSA-N -1 0 339.395 3.341 20 30 EGEDRM CN(Cc1ccc(C#N)cc1)c1nc(C(F)(F)F)ccc1C(=O)[O-] ZINC001598509215 992547281 /nfs/dbraw/zinc/54/72/81/992547281.db2.gz INFBQXALONTOSX-UHFFFAOYSA-N -1 0 335.285 3.307 20 30 EGEDRM CC(C)Cc1nc(C(=O)OCC#Cc2cccc(C(=O)[O-])c2)cs1 ZINC001591496798 992630009 /nfs/dbraw/zinc/63/00/09/992630009.db2.gz KQVMCIHJHZZMAK-UHFFFAOYSA-N -1 0 343.404 3.248 20 30 EGEDRM COc1ccc(NC(=S)NN=C(C)c2cc(C(=O)[O-])cs2)cc1 ZINC001599596746 993757733 /nfs/dbraw/zinc/75/77/33/993757733.db2.gz SZIMPIRCCVTFNR-UHFFFAOYSA-N -1 0 349.437 3.166 20 30 EGEDRM COc1cccc(C(=O)/C(=C\c2ccc(C(=O)[O-])o2)c2ncc[nH]2)c1 ZINC001599641096 994360311 /nfs/dbraw/zinc/36/03/11/994360311.db2.gz RIVGSMRBRBKERN-GXDHUFHOSA-N -1 0 338.319 3.133 20 30 EGEDRM C[C@H](OC(=O)[C@]1(C(=O)[O-])C[C@H]1c1ccccc1)c1cccc(C#N)c1 ZINC001593490478 995455340 /nfs/dbraw/zinc/45/53/40/995455340.db2.gz DBVFHYVYBHVZBF-QKMWGZLOSA-N -1 0 335.359 3.421 20 30 EGEDRM C[C@@]1(C#N)CCCN([C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)C1 ZINC001593743179 996365928 /nfs/dbraw/zinc/36/59/28/996365928.db2.gz PYPXRANKZCZQMC-HIFRSBDPSA-N -1 0 326.318 3.457 20 30 EGEDRM CC1(C(=O)OCC#Cc2cccc(C(=O)[O-])c2)CCC(F)(F)CC1 ZINC001593808210 996541084 /nfs/dbraw/zinc/54/10/84/996541084.db2.gz XCVRSEIIOCEVEJ-UHFFFAOYSA-N -1 0 336.334 3.495 20 30 EGEDRM COC[C@@H](NCc1cccc(C(=O)[O-])c1C#N)c1ccc(Cl)cc1 ZINC001599176970 996866864 /nfs/dbraw/zinc/86/68/64/996866864.db2.gz SOIWGCOZVUVXJC-QGZVFWFLSA-N -1 0 344.798 3.387 20 30 EGEDRM COc1ccc(C(=O)[O-])c2c1CN([C@@H](C)c1ccc(C#N)cc1)CC2 ZINC001599497861 997051259 /nfs/dbraw/zinc/05/12/59/997051259.db2.gz JTZNFVLHKITIMT-ZDUSSCGKSA-N -1 0 336.391 3.384 20 30 EGEDRM COc1c(NC(=O)c2ccc(Cl)c(C#N)c2)cccc1C(=O)[O-] ZINC001599342711 997947304 /nfs/dbraw/zinc/94/73/04/997947304.db2.gz NFZBLPMUSCZDCH-UHFFFAOYSA-N -1 0 330.727 3.171 20 30 EGEDRM C[C@H]1CC(N=Nc2cc(C(=O)[O-])ccc2Br)c2nccn21 ZINC001594196270 998760396 /nfs/dbraw/zinc/76/03/96/998760396.db2.gz HTMUKSRJXOPXLZ-QMMMGPOBSA-N -1 0 349.188 3.125 20 30 EGEDRM C[C@H]1CC[C@@](NC(=O)C#Cc2ccccc2)(C(=O)[O-])c2ccccc21 ZINC001594324300 999250721 /nfs/dbraw/zinc/25/07/21/999250721.db2.gz WRDHWDZRASXUJY-BTYIYWSLSA-N -1 0 333.387 3.032 20 30 EGEDRM CC(=O)Nc1ccc(/C=C/C(=O)c2ccc(OCC(=O)[O-])cc2)cc1 ZINC000013344099 201892776 /nfs/dbraw/zinc/89/27/76/201892776.db2.gz DFZAQXDJBKPRJD-NYYWCZLTSA-N -1 0 339.347 3.005 20 30 EGEDRM C#CC[C@@H](NC(=O)CC1(C(=O)[O-])Cc2ccccc2C1)c1ccccc1 ZINC000270109212 201235954 /nfs/dbraw/zinc/23/59/54/201235954.db2.gz FYCMJOHNGJQHEC-LJQANCHMSA-N -1 0 347.414 3.127 20 30 EGEDRM N#Cc1cccc(S(=O)(=O)[N-]C(=O)C2(c3ccccc3)CCC2)c1 ZINC000048600966 202608614 /nfs/dbraw/zinc/60/86/14/202608614.db2.gz CYRLXIKHFZRGAB-UHFFFAOYSA-N -1 0 340.404 3.325 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2ccc(OCCC(C)C)cc2)C(=O)O1 ZINC000105639368 204151584 /nfs/dbraw/zinc/15/15/84/204151584.db2.gz LFRBXEMUIZPQHJ-WMHRWZGDSA-N -1 0 342.391 3.340 20 30 EGEDRM N#Cc1ccc(CN=c2[n-]nc(CCCc3ccccc3)o2)c(F)c1 ZINC000347895749 141211678 /nfs/dbraw/zinc/21/16/78/141211678.db2.gz ORYIDNNMYWRZMI-UHFFFAOYSA-N -1 0 336.370 3.290 20 30 EGEDRM N#Cc1ccc(F)c(CNC(=O)c2ccc(Br)c(O)c2)c1 ZINC000121346042 152344913 /nfs/dbraw/zinc/34/49/13/152344913.db2.gz BQJBGTIGOZHKMB-UHFFFAOYSA-N -1 0 349.159 3.095 20 30 EGEDRM CCC(=O)c1cccc(S(=O)(=O)Nc2cc(C#N)ccc2C)c1 ZINC000194766507 153357051 /nfs/dbraw/zinc/35/70/51/153357051.db2.gz PGCMAVUVQIATLN-UHFFFAOYSA-N -1 0 328.393 3.260 20 30 EGEDRM CC(=Cc1cscc1Br)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000349102910 156353854 /nfs/dbraw/zinc/35/38/54/156353854.db2.gz BOIWHVRGKCOBGD-XVNBXDOJSA-N -1 0 336.214 3.335 20 30 EGEDRM CC(=Cc1cscc1Br)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000349102908 156353599 /nfs/dbraw/zinc/35/35/99/156353599.db2.gz BOIWHVRGKCOBGD-CLTKARDFSA-N -1 0 336.214 3.335 20 30 EGEDRM N#Cc1cc(F)ccc1[N-]S(=O)(=O)c1cccc2cnccc21 ZINC000179167127 162683930 /nfs/dbraw/zinc/68/39/30/162683930.db2.gz HMYVOAMRIJVQAB-UHFFFAOYSA-N -1 0 327.340 3.046 20 30 EGEDRM Cc1csc(-c2cccc([N-]S(=O)(=O)c3ccc(C#N)o3)c2)n1 ZINC000340831358 163674655 /nfs/dbraw/zinc/67/46/55/163674655.db2.gz SVKXMPKRHLFRPS-UHFFFAOYSA-N -1 0 345.405 3.384 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2noc3cc(Cl)ccc32)ccc1C#N ZINC000342667272 163937694 /nfs/dbraw/zinc/93/76/94/163937694.db2.gz RMYOSOLDBAIYMG-UHFFFAOYSA-N -1 0 347.783 3.462 20 30 EGEDRM CCc1ccc(O)c([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC000177991643 265289018 /nfs/dbraw/zinc/28/90/18/265289018.db2.gz GXVCZLNBYJXFME-UHFFFAOYSA-N -1 0 336.800 3.280 20 30 EGEDRM CCN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@@H](C)c1ccc(C#N)cc1 ZINC000179450023 266097525 /nfs/dbraw/zinc/09/75/25/266097525.db2.gz SVMALQLEONTQEK-LBPRGKRZSA-N -1 0 339.351 3.395 20 30 EGEDRM CCn1ncc(C#N)c1[N-]S(=O)(=O)c1c(C)c(C)c(C)c(C)c1C ZINC000187765878 266473693 /nfs/dbraw/zinc/47/36/93/266473693.db2.gz USSKXBPKLDIEOI-UHFFFAOYSA-N -1 0 346.456 3.118 20 30 EGEDRM COc1cc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)ccc1SC ZINC000193613454 266781704 /nfs/dbraw/zinc/78/17/04/266781704.db2.gz RFLNNFZTSWNMMJ-JXMROGBWSA-N -1 0 327.409 3.241 20 30 EGEDRM CCCOc1cccc([N-]S(=O)(=O)c2cccc(C)c2C#N)c1 ZINC000441335566 267029271 /nfs/dbraw/zinc/02/92/71/267029271.db2.gz ZDGWDWYJOXCHDE-UHFFFAOYSA-N -1 0 330.409 3.456 20 30 EGEDRM CNc1ccc(C#N)cc1NC(=O)c1cc(Br)ccc1[O-] ZINC000436646743 267355072 /nfs/dbraw/zinc/35/50/72/267355072.db2.gz AWKDXVPGNMBLOC-UHFFFAOYSA-N -1 0 346.184 3.320 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2nccc3sccc32)ccc1C#N ZINC000446763729 268019473 /nfs/dbraw/zinc/01/94/73/268019473.db2.gz YLJKFKMVYQBDMH-UHFFFAOYSA-N -1 0 329.406 3.277 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)nc1 ZINC000174003122 268161694 /nfs/dbraw/zinc/16/16/94/268161694.db2.gz JINYXADKMXPJJQ-UHFFFAOYSA-N -1 0 328.180 3.061 20 30 EGEDRM N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CC[C@@H]3CCC[C@@H]3C2)c(F)c1 ZINC000342611283 279504255 /nfs/dbraw/zinc/50/42/55/279504255.db2.gz XIHBJDGSAXMALM-YNEHKIRRSA-N -1 0 340.395 3.084 20 30 EGEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1ccc(Br)cc1 ZINC000103503801 303157788 /nfs/dbraw/zinc/15/77/88/303157788.db2.gz UBLXHYVFVUVZBF-CQSZACIVSA-N -1 0 349.228 3.220 20 30 EGEDRM N#Cc1cc([N-]S(=O)(=O)c2c(F)cc(F)cc2F)ccc1Cl ZINC000060442087 307350993 /nfs/dbraw/zinc/35/09/93/307350993.db2.gz FNAMDGADHLUCEY-UHFFFAOYSA-N -1 0 346.717 3.430 20 30 EGEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000132981385 307665723 /nfs/dbraw/zinc/66/57/23/307665723.db2.gz WCDZFTRCHRKAGI-UHFFFAOYSA-N -1 0 341.323 3.212 20 30 EGEDRM CC(C)c1[n-]n(-c2ccccc2)c(=O)c1C(=O)Nc1cccc(C#N)c1 ZINC000155599145 307817331 /nfs/dbraw/zinc/81/73/31/307817331.db2.gz QYRLOEXZTZCZLM-QGZVFWFLSA-N -1 0 346.390 3.172 20 30 EGEDRM CC[C@H](C)n1ncc([N-]S(=O)(=O)c2ccccc2C#N)c1C1CC1 ZINC000536495548 314118208 /nfs/dbraw/zinc/11/82/08/314118208.db2.gz CBYHDDYCBZBXHD-LBPRGKRZSA-N -1 0 344.440 3.404 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(-n3cccc3)c2)c(F)c1 ZINC000558681843 315592459 /nfs/dbraw/zinc/59/24/59/315592459.db2.gz UDTRAXRFRZKXPV-UHFFFAOYSA-N -1 0 341.367 3.289 20 30 EGEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000568839778 316829562 /nfs/dbraw/zinc/82/95/62/316829562.db2.gz KMFGGHAQIAJQBQ-HZPDHXFCSA-N -1 0 334.423 3.493 20 30 EGEDRM Cc1[n-][nH]c(=NC(=O)C23CC4(C)CC(C)(CC(C)(C4)C2)C3)c1C#N ZINC000581903188 325397605 /nfs/dbraw/zinc/39/76/05/325397605.db2.gz XPVREOZQLMKNEZ-UHFFFAOYSA-N -1 0 326.444 3.337 20 30 EGEDRM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000183093303 455227266 /nfs/dbraw/zinc/22/72/66/455227266.db2.gz AFHVKLGXRBFXMQ-UHFFFAOYSA-N -1 0 331.784 3.193 20 30 EGEDRM Cc1nc(C)c(S(=O)(=O)[N-]c2cc(Cl)ccc2C#N)s1 ZINC000180733256 455236120 /nfs/dbraw/zinc/23/61/20/455236120.db2.gz JOHILVACOCTUJV-UHFFFAOYSA-N -1 0 327.818 3.086 20 30 EGEDRM CCc1onc(C)c1[N-]S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451022156 458463181 /nfs/dbraw/zinc/46/31/81/458463181.db2.gz ALOVKBQFMDHFIG-UHFFFAOYSA-N -1 0 339.804 3.066 20 30 EGEDRM Cc1cc(N2CCC(Nc3cccc(C(=O)[O-])c3)CC2)c(C#N)cn1 ZINC000600674106 460563971 /nfs/dbraw/zinc/56/39/71/460563971.db2.gz CZVNUPDQWXWUHO-UHFFFAOYSA-N -1 0 336.395 3.041 20 30 EGEDRM N#Cc1cc(C(F)(F)F)ccc1[N-]S(=O)(=O)c1cccs1 ZINC000158400136 455299313 /nfs/dbraw/zinc/29/93/13/455299313.db2.gz NRVYLCJRNOEDKD-UHFFFAOYSA-N -1 0 332.328 3.439 20 30 EGEDRM CCc1nn(C)cc1C([O-])=C(C#N)c1nc2ccccc2n1C(F)F ZINC000181257402 455308141 /nfs/dbraw/zinc/30/81/41/455308141.db2.gz RJBGHNSRSJPQME-JTQLQIEISA-N -1 0 343.337 3.217 20 30 EGEDRM N#Cc1cc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)ccc1Cl ZINC000010514895 453294150 /nfs/dbraw/zinc/29/41/50/453294150.db2.gz UPWHZAONNKVHLR-UHFFFAOYSA-N -1 0 346.717 3.430 20 30 EGEDRM C[C@H]1CN(c2c(C#N)cnc3ccc(Cl)cc32)CC[C@@H]1C(=O)[O-] ZINC000600801515 460609556 /nfs/dbraw/zinc/60/95/56/460609556.db2.gz RCZULUYOIZLNHO-GWCFXTLKSA-N -1 0 329.787 3.307 20 30 EGEDRM N#Cc1nc(NC(=O)CC(c2ccccc2)c2ccccc2)[n-]c1C#N ZINC000026272829 453795502 /nfs/dbraw/zinc/79/55/02/453795502.db2.gz YZTNHJJWDRVXOG-UHFFFAOYSA-N -1 0 341.374 3.314 20 30 EGEDRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccc(CC#N)cc2)c1 ZINC000029967285 453832964 /nfs/dbraw/zinc/83/29/64/453832964.db2.gz MGENKPDUNYIJPA-UHFFFAOYSA-N -1 0 337.404 3.410 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2sccc2CC)n1 ZINC000067897247 453978694 /nfs/dbraw/zinc/97/86/94/453978694.db2.gz DWAXSBQHMXNUCJ-SNVBAGLBSA-N -1 0 334.422 3.434 20 30 EGEDRM C=CCN(Cc1c([O-])nnn1-c1ccccc1)Cc1ccccc1F ZINC000057091376 454102827 /nfs/dbraw/zinc/10/28/27/454102827.db2.gz UKELHSGQOJIWCC-UHFFFAOYSA-N -1 0 338.386 3.300 20 30 EGEDRM CC(C)Oc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000057122636 454103188 /nfs/dbraw/zinc/10/31/88/454103188.db2.gz LKDUMWIKUSAZNP-UHFFFAOYSA-N -1 0 334.372 3.285 20 30 EGEDRM O=C([N-]S(=O)(=O)CC1CCCCC1)[C@@H]1CCOc2ccccc21 ZINC000077560026 454123379 /nfs/dbraw/zinc/12/33/79/454123379.db2.gz OHZZOPFIJAYFOY-OAHLLOKOSA-N -1 0 337.441 3.419 20 30 EGEDRM Cc1noc(C)c1C(=O)[N-]S(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000069604011 454123614 /nfs/dbraw/zinc/12/36/14/454123614.db2.gz SYHFBZAKGFGFCH-UHFFFAOYSA-N -1 0 336.413 3.219 20 30 EGEDRM C=CCOc1ccc(C(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)cc1 ZINC000057751963 454144388 /nfs/dbraw/zinc/14/43/88/454144388.db2.gz BFYWEMKTOUBGBS-UHFFFAOYSA-N -1 0 337.335 3.259 20 30 EGEDRM O=C(C=Cc1ccc2c(c1)OCO2)[N-]S(=O)(=O)C1CCCCC1 ZINC000058072590 454162981 /nfs/dbraw/zinc/16/29/81/454162981.db2.gz BWVLOSAANBVTKL-VQHVLOKHSA-N -1 0 337.397 3.048 20 30 EGEDRM O=C(CC[C@H]1CCCO1)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000058168874 454167641 /nfs/dbraw/zinc/16/76/41/454167641.db2.gz QVXKLHSBIOXMFZ-SNVBAGLBSA-N -1 0 335.784 3.084 20 30 EGEDRM O=C(/C=C/c1ccc(F)cc1)c1ccc([O-])c(CN2CCOCC2)c1 ZINC000119818114 454223438 /nfs/dbraw/zinc/22/34/38/454223438.db2.gz IRDLFXVMHXIWIV-XVNBXDOJSA-N -1 0 341.382 3.260 20 30 EGEDRM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)cn1 ZINC000121280420 454416090 /nfs/dbraw/zinc/41/60/90/454416090.db2.gz WJYFJOBNCMLWFD-UHFFFAOYSA-N -1 0 341.314 3.081 20 30 EGEDRM CC(C)c1csc(C(C#N)=C([O-])c2ncn(-c3ccccc3)n2)n1 ZINC000091865696 454483196 /nfs/dbraw/zinc/48/31/96/454483196.db2.gz BXVMEEVKXHZUHQ-ZDUSSCGKSA-N -1 0 337.408 3.337 20 30 EGEDRM N#CCc1cccc(C(=O)[N-]S(=O)(=O)c2cccc(Cl)c2)c1 ZINC000048496551 454494573 /nfs/dbraw/zinc/49/45/73/454494573.db2.gz PQJDFAFEKVCZOI-UHFFFAOYSA-N -1 0 334.784 3.100 20 30 EGEDRM CCCCCCCCc1nnc([N-]C(=O)c2cccc[n+]2[O-])s1 ZINC000105285585 454632552 /nfs/dbraw/zinc/63/25/52/454632552.db2.gz NHHZKJYMRXIQGD-UHFFFAOYSA-N -1 0 334.445 3.327 20 30 EGEDRM O=C(c1ccc(F)cc1[O-])N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000123847829 454682082 /nfs/dbraw/zinc/68/20/82/454682082.db2.gz FSISDLIXKABAIK-UHFFFAOYSA-N -1 0 345.214 3.488 20 30 EGEDRM CC(C)C[C@@H](C)N(C)C(=O)Cn1[n-]c(C(C)(C)C)c(CCC#N)c1=O ZINC000153485980 454798626 /nfs/dbraw/zinc/79/86/26/454798626.db2.gz AGCJTVSQLNRAAX-CQSZACIVSA-N -1 0 348.491 3.235 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)nc1 ZINC000177664617 454889348 /nfs/dbraw/zinc/88/93/48/454889348.db2.gz RMLHKLMGNSOHBI-UHFFFAOYSA-N -1 0 335.388 3.421 20 30 EGEDRM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1nn(C(C)C)cc1C#N ZINC000160657777 455485222 /nfs/dbraw/zinc/48/52/22/455485222.db2.gz ZLAWZLCAQUTIAA-UHFFFAOYSA-N -1 0 338.820 3.098 20 30 EGEDRM N#CC(=C([O-])c1n[nH]c2c1CCCC2)c1nc(-c2ccncc2)cs1 ZINC000114620992 454964655 /nfs/dbraw/zinc/96/46/55/454964655.db2.gz UUTIBPXAFKQKQI-ZDUSSCGKSA-N -1 0 349.419 3.297 20 30 EGEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179442847 455048323 /nfs/dbraw/zinc/04/83/23/455048323.db2.gz AYKHBWOGFPEVID-UHFFFAOYSA-N -1 0 342.351 3.137 20 30 EGEDRM N#C[C@H](C(=O)c1ccc(OCC(F)F)nc1)c1nc2ccccc2[nH]1 ZINC000155863774 455054911 /nfs/dbraw/zinc/05/49/11/455054911.db2.gz VWMFFPFMXAGROL-LLVKDONJSA-N -1 0 342.305 3.092 20 30 EGEDRM N#Cc1cc([N-]S(=O)(=O)c2cccc3c2N=S=N3)ccc1F ZINC000155912358 455061600 /nfs/dbraw/zinc/06/16/00/455061600.db2.gz KAQAPZQYJICTBN-UHFFFAOYSA-N -1 0 334.357 3.225 20 30 EGEDRM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccn(CCC#N)n2)cc1 ZINC000117740964 455092605 /nfs/dbraw/zinc/09/26/05/455092605.db2.gz ASZCMLXYHMSSOY-ZDUSSCGKSA-N -1 0 332.429 3.111 20 30 EGEDRM N#Cc1c(Cl)cccc1S(=O)(=O)N[C@@H]1CCCc2occc21 ZINC000156363178 455108975 /nfs/dbraw/zinc/10/89/75/455108975.db2.gz VKJMRNIEVHQHHP-CYBMUJFWSA-N -1 0 336.800 3.161 20 30 EGEDRM CCn1cc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)cn1 ZINC000172086718 455119278 /nfs/dbraw/zinc/11/92/78/455119278.db2.gz FGVNVIXOWSOMKE-LLVKDONJSA-N -1 0 329.310 3.138 20 30 EGEDRM Cc1cc(NC(=O)/C=C/c2ccc(OCC#N)cc2)ccc1C(=O)[O-] ZINC000237726819 455211395 /nfs/dbraw/zinc/21/13/95/455211395.db2.gz WCQJFHNGFNSYOL-RUDMXATFSA-N -1 0 336.347 3.248 20 30 EGEDRM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccccc1OC ZINC000174255682 455373891 /nfs/dbraw/zinc/37/38/91/455373891.db2.gz RTMSCFINYZPNKU-UHFFFAOYSA-N -1 0 345.424 3.190 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)c2cnc3ccccc3n2)cc([N+](=O)[O-])c1 ZINC000190996409 455421567 /nfs/dbraw/zinc/42/15/67/455421567.db2.gz MFYFNEDSXGNGCR-AWEZNQCLSA-N -1 0 332.319 3.337 20 30 EGEDRM Cc1cccc(F)c1S(=O)(=O)[N-]c1ncccc1OCCCC#N ZINC000186416722 455764723 /nfs/dbraw/zinc/76/47/23/455764723.db2.gz ODGJZVWTRMHWSB-UHFFFAOYSA-N -1 0 349.387 3.013 20 30 EGEDRM C=CCC(C)(C)CNC(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000292890867 455765856 /nfs/dbraw/zinc/76/58/56/455765856.db2.gz VKZGHSRKNMCOST-UHFFFAOYSA-N -1 0 334.445 3.141 20 30 EGEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1nnc(C2CCCCC2)o1 ZINC000194787597 455884064 /nfs/dbraw/zinc/88/40/64/455884064.db2.gz URHPHBCEOVNPBQ-UHFFFAOYSA-N -1 0 346.412 3.098 20 30 EGEDRM Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H](C(C)(C)C)C1 ZINC000280475863 455978345 /nfs/dbraw/zinc/97/83/45/455978345.db2.gz JLOAGLJOJQNHPD-HNNXBMFYSA-N -1 0 343.471 3.493 20 30 EGEDRM Cc1nc2c(cccc2C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)o1 ZINC000347716257 456323365 /nfs/dbraw/zinc/32/33/65/456323365.db2.gz HOTRMMNHTLHVSO-LBPRGKRZSA-N -1 0 331.335 3.206 20 30 EGEDRM CCOCc1cc(/C=C\c2nc(C(=O)[O-])ccc2C#N)ccc1OC ZINC000353108185 456493480 /nfs/dbraw/zinc/49/34/80/456493480.db2.gz GAZIDBYTKXCTNL-DAXSKMNVSA-N -1 0 338.363 3.367 20 30 EGEDRM C=CCCCS(=O)(=O)[N-]c1ncc(Cc2ccc(C#N)cc2)s1 ZINC000291793904 456760229 /nfs/dbraw/zinc/76/02/29/456760229.db2.gz AKDXMZPIHXLEAS-UHFFFAOYSA-N -1 0 347.465 3.313 20 30 EGEDRM COc1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2C)c(Cl)c1 ZINC000340948075 456778072 /nfs/dbraw/zinc/77/80/72/456778072.db2.gz HKHHQZDZHIXUQD-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM Cc1ccnc2[nH]c([C@@H](C#N)C(=O)c3cncc4ccccc43)nc21 ZINC000341054956 456810935 /nfs/dbraw/zinc/81/09/35/456810935.db2.gz TVGFZALZGAADHP-AWEZNQCLSA-N -1 0 327.347 3.305 20 30 EGEDRM CN(C)c1cc(C#N)cc(C([O-])=C(C#N)c2nc3ccccc3o2)c1 ZINC000344950513 456875497 /nfs/dbraw/zinc/87/54/97/456875497.db2.gz MKASVYWELSKAEX-HNNXBMFYSA-N -1 0 330.347 3.256 20 30 EGEDRM Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1ccc(CC#N)cc1 ZINC000349757989 457040691 /nfs/dbraw/zinc/04/06/91/457040691.db2.gz LHQSWXGTJSMWFL-UHFFFAOYSA-N -1 0 337.404 3.410 20 30 EGEDRM CC(C)C[C@@H]1C[C@@H](NC(=O)N=c2nc(C(C)(C)C)[n-]s2)CCO1 ZINC000330698652 457072191 /nfs/dbraw/zinc/07/21/91/457072191.db2.gz LTICUIZSCGPLKF-NWDGAFQWSA-N -1 0 340.493 3.177 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)N[C@]2(C#N)CCC[C@H](C)C2)cc1C#N ZINC000330730985 457077826 /nfs/dbraw/zinc/07/78/26/457077826.db2.gz KGQSNFLEBPXPOY-MGPLVRAMSA-N -1 0 330.413 3.158 20 30 EGEDRM N#Cc1ccc(OC(F)F)c([N-]S(=O)(=O)c2ccsc2)c1 ZINC000349948021 457117497 /nfs/dbraw/zinc/11/74/97/457117497.db2.gz ZMYNLRCASGKGRT-UHFFFAOYSA-N -1 0 330.337 3.022 20 30 EGEDRM CC(C)c1cc(C([O-])=C(C#N)c2ccncn2)nn1-c1ccccc1 ZINC000354464729 457240225 /nfs/dbraw/zinc/24/02/25/457240225.db2.gz JEAQUDSQALAHNJ-OAHLLOKOSA-N -1 0 331.379 3.276 20 30 EGEDRM CCCSc1ccc([N+](=O)[O-])cc1C([O-])=C(C#N)c1ccncn1 ZINC000354464693 457240709 /nfs/dbraw/zinc/24/07/09/457240709.db2.gz KJZBPFYTYYNTET-CYBMUJFWSA-N -1 0 342.380 3.377 20 30 EGEDRM CC(C)c1noc(-c2ccccc2C([O-])=C(C#N)c2ccncn2)n1 ZINC000354470532 457245090 /nfs/dbraw/zinc/24/50/90/457245090.db2.gz SIYPHSPFNZZJFS-AWEZNQCLSA-N -1 0 333.351 3.140 20 30 EGEDRM N#CCCCC(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2)c1 ZINC000360382785 457306839 /nfs/dbraw/zinc/30/68/39/457306839.db2.gz UUSPOPDIJNNRKE-UHFFFAOYSA-N -1 0 343.408 3.120 20 30 EGEDRM N#CCc1ccc(NC(=O)c2nn(-c3cccc(F)c3)cc2[O-])cc1 ZINC000339887889 457313249 /nfs/dbraw/zinc/31/32/49/457313249.db2.gz ZRKQDJWCOPKABZ-UHFFFAOYSA-N -1 0 336.326 3.035 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nc3ccc(Cl)cc3s2)o1 ZINC000342463149 457315847 /nfs/dbraw/zinc/31/58/47/457315847.db2.gz DLNVDBSMSXTAND-UHFFFAOYSA-N -1 0 339.785 3.215 20 30 EGEDRM Cc1ccc(-c2csc(C(C#N)=C([O-])c3ccc(=O)n(C)c3)n2)cc1 ZINC000352698339 457539581 /nfs/dbraw/zinc/53/95/81/457539581.db2.gz RCAJFVCFYDXBRW-OAHLLOKOSA-N -1 0 349.415 3.307 20 30 EGEDRM N#Cc1cncc(S(=O)(=O)[N-]c2ccc3c(c2)CCCCC3)c1 ZINC000404752072 457546876 /nfs/dbraw/zinc/54/68/76/457546876.db2.gz MNZMRYSGMGQDNG-UHFFFAOYSA-N -1 0 327.409 3.023 20 30 EGEDRM N#CC1(C(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)CCCC1 ZINC000370130657 457555783 /nfs/dbraw/zinc/55/57/83/457555783.db2.gz FIXCMZMBJWPJKX-UHFFFAOYSA-N -1 0 326.396 3.175 20 30 EGEDRM C[C@@H](NC(=O)N=c1cccn[n-]1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000364687859 457674093 /nfs/dbraw/zinc/67/40/93/457674093.db2.gz QWRRHPVOBCKMTJ-CQSZACIVSA-N -1 0 343.390 3.320 20 30 EGEDRM CC(=O)N1Cc2ccccc2C(=O)/C(=C\c2cc(F)c([O-])c(F)c2)C1 ZINC000374899496 457730217 /nfs/dbraw/zinc/73/02/17/457730217.db2.gz SDPNDTNSMHXVOQ-NSIKDUERSA-N -1 0 343.329 3.299 20 30 EGEDRM N#CC(=C([O-])c1ccc(OC(F)F)cn1)c1cnc2ccccc2n1 ZINC000361522272 457769118 /nfs/dbraw/zinc/76/91/18/457769118.db2.gz APTMXOTUZYPDBZ-LLVKDONJSA-N -1 0 340.289 3.116 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)c2cnc3ccccc3n2)nn1C(F)F ZINC000361542532 457783509 /nfs/dbraw/zinc/78/35/09/457783509.db2.gz ZVADUHZUCLSIHS-JTQLQIEISA-N -1 0 327.294 3.020 20 30 EGEDRM N#C[C@@H](CCc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000433380701 457826740 /nfs/dbraw/zinc/82/67/40/457826740.db2.gz DVHSEUGYDUHGMH-CYBMUJFWSA-N -1 0 325.324 3.011 20 30 EGEDRM Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000427114942 457944635 /nfs/dbraw/zinc/94/46/35/457944635.db2.gz PXOYDBABUFKOMM-UHFFFAOYSA-N -1 0 349.343 3.023 20 30 EGEDRM C=C(C)C[C@@H](C)C(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccc(F)cc2F)C1 ZINC000368312488 458023694 /nfs/dbraw/zinc/02/36/94/458023694.db2.gz MXLWQUFBQKZMOA-DFBGVHRSSA-N -1 0 337.366 3.194 20 30 EGEDRM CC(C)(C)C[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)C(F)(F)F ZINC000435432232 458144059 /nfs/dbraw/zinc/14/40/59/458144059.db2.gz HYDIMAYIHJZDGQ-VIFPVBQESA-N -1 0 340.392 3.265 20 30 EGEDRM N#Cc1ccccc1CSCCNC(=O)c1ccc(F)cc1[O-] ZINC000436755735 458374578 /nfs/dbraw/zinc/37/45/78/458374578.db2.gz MURFSLPWCZLTFK-UHFFFAOYSA-N -1 0 330.384 3.066 20 30 EGEDRM CC(C)(CC#N)CNC(=O)N=c1nc(-c2cccc(Cl)c2)[n-]s1 ZINC000459489376 458390040 /nfs/dbraw/zinc/39/00/40/458390040.db2.gz JXNHZHJDJPQLHZ-UHFFFAOYSA-N -1 0 349.847 3.342 20 30 EGEDRM C=CCCO[C@@H](C)C(=O)N[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000449002521 458418503 /nfs/dbraw/zinc/41/85/03/458418503.db2.gz MUUNSPXFUPFDLU-ZANVPECISA-N -1 0 346.210 3.217 20 30 EGEDRM Cc1c(Cl)cccc1N=c1[n-]nc(SC[C@H](O)CC#N)s1 ZINC000450764425 458455898 /nfs/dbraw/zinc/45/58/98/458455898.db2.gz CJPBLMGJRODHEG-SECBINFHSA-N -1 0 340.861 3.032 20 30 EGEDRM N#C[C@H]1CC[C@@H](Sc2n[n-]c(=NCCc3cccs3)s2)C1 ZINC000450765647 458456216 /nfs/dbraw/zinc/45/62/16/458456216.db2.gz XNTYJZBEXXGQQQ-CMPLNLGQSA-N -1 0 336.511 3.460 20 30 EGEDRM Cc1cccc([C@H]([N-]S(=O)(=O)CC2(CC#N)CC2)C(F)(F)F)c1 ZINC000451380503 458474704 /nfs/dbraw/zinc/47/47/04/458474704.db2.gz CIOKYDUFNDWYAG-ZDUSSCGKSA-N -1 0 346.374 3.212 20 30 EGEDRM C=C(C)Cn1c([C@H]2CCCO2)n[n-]c1=Nc1ccc(CC)c(OC)c1 ZINC000453456511 458531743 /nfs/dbraw/zinc/53/17/43/458531743.db2.gz VNFNVGNIXIWYTK-MRXNPFEDSA-N -1 0 342.443 3.442 20 30 EGEDRM N#CC(=C([O-])c1cc2n(n1)CCCC2)c1ccc(C(F)(F)F)cn1 ZINC000453578468 458537018 /nfs/dbraw/zinc/53/70/18/458537018.db2.gz YSEDETHKFUCICM-GFCCVEGCSA-N -1 0 334.301 3.123 20 30 EGEDRM CN(CC(C)(C)C#N)C(=O)N=c1[n-]nc(-c2cccc(Cl)c2)s1 ZINC000455176063 458587694 /nfs/dbraw/zinc/58/76/94/458587694.db2.gz GXMODJVELKCTQJ-UHFFFAOYSA-N -1 0 349.847 3.294 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)Nc2ccsc2Cl)cc1C#N ZINC000438572216 458601297 /nfs/dbraw/zinc/60/12/97/458601297.db2.gz ZSJCJHYFXIPSJS-UHFFFAOYSA-N -1 0 325.802 3.348 20 30 EGEDRM C=CC[C@H](C)NC(=O)N=c1[n-]nc(-c2cc3ccccc3o2)s1 ZINC000470508801 458636522 /nfs/dbraw/zinc/63/65/22/458636522.db2.gz XWXSIXWRHAOLBX-JTQLQIEISA-N -1 0 328.397 3.459 20 30 EGEDRM C=CCN(CC1CCCCC1)C(=O)N=c1nc([C@H](C)OC)[n-]s1 ZINC000515922030 458812626 /nfs/dbraw/zinc/81/26/26/458812626.db2.gz ODMCWMQZZXQKFN-LBPRGKRZSA-N -1 0 338.477 3.268 20 30 EGEDRM C=CCCCCNC(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000556707732 458993673 /nfs/dbraw/zinc/99/36/73/458993673.db2.gz DATFGJJVJZVZAK-CYBMUJFWSA-N -1 0 328.771 3.260 20 30 EGEDRM C=CCC[C@H](NC(=O)c1cccc(NC(=O)OC(C)(C)C)c1)C(=O)[O-] ZINC000495915457 459004290 /nfs/dbraw/zinc/00/42/90/459004290.db2.gz YAXQWAPFSBLMQG-AWEZNQCLSA-N -1 0 348.399 3.183 20 30 EGEDRM CC(=O)Nc1ccc(NC(=O)c2ccc(C#N)c([O-])c2)c(Cl)c1 ZINC000442653175 459021341 /nfs/dbraw/zinc/02/13/41/459021341.db2.gz RDOUKILDAKLDKN-UHFFFAOYSA-N -1 0 329.743 3.128 20 30 EGEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000577355671 459021200 /nfs/dbraw/zinc/02/12/00/459021200.db2.gz VKYFARCPUXOLRA-AWEZNQCLSA-N -1 0 345.399 3.064 20 30 EGEDRM C=CCCCS(=O)(=O)N[C@H](CC(=O)[O-])c1cccc2ccccc21 ZINC000577489826 459041365 /nfs/dbraw/zinc/04/13/65/459041365.db2.gz ZIGVUHPFSJGCFW-QGZVFWFLSA-N -1 0 347.436 3.241 20 30 EGEDRM N#CCc1ccnc([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)c1 ZINC000558633631 459185456 /nfs/dbraw/zinc/18/54/56/459185456.db2.gz PSCBNHWBNQRWJA-UHFFFAOYSA-N -1 0 347.343 3.029 20 30 EGEDRM C=C[C@H](C)O[N-]C(=O)[C@@](C)(NC(=O)OC(C)(C)C)c1ccccc1 ZINC000496522874 459225967 /nfs/dbraw/zinc/22/59/67/459225967.db2.gz FGJVJDLXOJSBAN-UGSOOPFHSA-N -1 0 334.416 3.049 20 30 EGEDRM CC(C)c1csc(C(C#N)=C([O-])c2sccc2-n2ccnn2)n1 ZINC000578971324 459241447 /nfs/dbraw/zinc/24/14/47/459241447.db2.gz APMKMENZIVTYMO-SNVBAGLBSA-N -1 0 343.437 3.399 20 30 EGEDRM C=C[C@H](C)NC(=O)N=c1[n-]nc(-c2c(F)cccc2Cl)s1 ZINC000481894983 459279598 /nfs/dbraw/zinc/27/95/98/459279598.db2.gz QOYOQUMBDAVZSX-ZETCQYMHSA-N -1 0 326.784 3.116 20 30 EGEDRM CC(C)(C)Oc1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])cc1C#N ZINC000591240007 459338865 /nfs/dbraw/zinc/33/88/65/459338865.db2.gz VRKBAOUILTUJPH-LSDHHAIUSA-N -1 0 342.395 3.341 20 30 EGEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)NCCCCC(=O)[O-] ZINC000591353100 459360249 /nfs/dbraw/zinc/36/02/49/459360249.db2.gz MBVFFARMIVLXIR-LBPRGKRZSA-N -1 0 335.429 3.315 20 30 EGEDRM C=CCN(C(=O)Nc1cccc(C)n1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000568955773 459370379 /nfs/dbraw/zinc/37/03/79/459370379.db2.gz DYEGCAJXQWFPBZ-MRXNPFEDSA-N -1 0 339.395 3.106 20 30 EGEDRM CC(=O)N(c1ccc(NC(=O)c2ccc(C#N)c([O-])c2)cc1)[C@H]1C[C@H]1C ZINC000561648839 459472170 /nfs/dbraw/zinc/47/21/70/459472170.db2.gz LSFAKLHZSCOQQR-XIKOKIGWSA-N -1 0 349.390 3.277 20 30 EGEDRM C=C[C@@H]1CCCCN1C(=O)N=c1[n-]nc(Cc2ccc(C)cc2)s1 ZINC000488328515 459542930 /nfs/dbraw/zinc/54/29/30/459542930.db2.gz NKKRCDOKXNYVNT-OAHLLOKOSA-N -1 0 342.468 3.432 20 30 EGEDRM CCc1ccc([C@H](C#N)NC(=O)c2nn(-c3ccccc3)cc2[O-])cc1 ZINC000489967102 459573564 /nfs/dbraw/zinc/57/35/64/459573564.db2.gz YFWBSMKMBDHAGA-KRWDZBQOSA-N -1 0 346.390 3.135 20 30 EGEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000592464603 459607450 /nfs/dbraw/zinc/60/74/50/459607450.db2.gz AFNDHSYXOMUGNY-UHFFFAOYSA-N -1 0 345.399 3.064 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)NC2(c3ccccc3C)CC2)cc1C#N ZINC000592827298 459699656 /nfs/dbraw/zinc/69/96/56/459699656.db2.gz ZYIHHHOFWLDEOF-UHFFFAOYSA-N -1 0 339.420 3.108 20 30 EGEDRM CC(C)(C#N)S(=O)(=O)c1ccc(-c2cccc(C(=O)[O-])c2)cc1 ZINC000584353784 459718551 /nfs/dbraw/zinc/71/85/51/459718551.db2.gz PKOOAZUSWMSANP-UHFFFAOYSA-N -1 0 329.377 3.128 20 30 EGEDRM C[C@H](C#N)CSc1ccccc1NC(=O)NC1(CC(=O)[O-])CCC1 ZINC000593013865 459739656 /nfs/dbraw/zinc/73/96/56/459739656.db2.gz BJGYNDABDCSDON-GFCCVEGCSA-N -1 0 347.440 3.457 20 30 EGEDRM C=CCn1c(CCCc2ccccc2)n[n-]c1=Nc1c(C)n[nH]c1C ZINC000563574416 459766358 /nfs/dbraw/zinc/76/63/58/459766358.db2.gz XPFHUIMPPYTUFE-UHFFFAOYSA-N -1 0 336.443 3.145 20 30 EGEDRM Cn1cc([N+](=O)[O-])cc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1 ZINC000564150603 459771235 /nfs/dbraw/zinc/77/12/35/459771235.db2.gz LWWMTKYWLWJCMC-JTQLQIEISA-N -1 0 332.385 3.177 20 30 EGEDRM N#CC(=C([O-])c1cnn(C2CC2)c1)c1nc2cc(F)ccc2s1 ZINC000528945865 459818889 /nfs/dbraw/zinc/81/88/89/459818889.db2.gz HPXULFSNLXJFIJ-LBPRGKRZSA-N -1 0 326.356 3.457 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)NCC(C)(C)C2=CCCC2)cc1C#N ZINC000574854205 459882074 /nfs/dbraw/zinc/88/20/74/459882074.db2.gz WOVUBKGVYFGVIR-UHFFFAOYSA-N -1 0 331.441 3.247 20 30 EGEDRM Cc1ccc([C@@H]2C[C@H]2C(=O)N=c2[n-]n(C(C)(C)C)cc2C#N)cc1C ZINC000598816858 460049196 /nfs/dbraw/zinc/04/91/96/460049196.db2.gz CVFVYHGNNCCBBI-DLBZAZTESA-N -1 0 336.439 3.291 20 30 EGEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccccc1SCC(F)(F)F ZINC000610254561 460097460 /nfs/dbraw/zinc/09/74/60/460097460.db2.gz VXGZHFNZSHGQTM-VIFPVBQESA-N -1 0 338.376 3.385 20 30 EGEDRM C[C@@H]([NH2+]CCCC#N)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000599045457 460137802 /nfs/dbraw/zinc/13/78/02/460137802.db2.gz QVNICNQCINMFRO-OAHLLOKOSA-N -1 0 343.452 3.442 20 30 EGEDRM Cc1cc(CNC(=O)N=c2[n-]n(C)cc2C#N)ccc1-c1ccccc1 ZINC000614688548 460203395 /nfs/dbraw/zinc/20/33/95/460203395.db2.gz BGAXUYIZKVHZML-UHFFFAOYSA-N -1 0 345.406 3.011 20 30 EGEDRM CC(C)(C)OCc1ccc([N-]S(=O)(=O)c2ccc(C#N)nc2)cc1 ZINC000610647645 460204784 /nfs/dbraw/zinc/20/47/84/460204784.db2.gz VYMLFOFBXHWJRQ-UHFFFAOYSA-N -1 0 345.424 3.069 20 30 EGEDRM N#Cc1ccc(CNC(=O)C[C@H](C(=O)[O-])c2ccccc2)cc1Cl ZINC000619743222 460428180 /nfs/dbraw/zinc/42/81/80/460428180.db2.gz KRRMVLRZCSOLHU-HNNXBMFYSA-N -1 0 342.782 3.086 20 30 EGEDRM C=CCN(C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000604497055 460436443 /nfs/dbraw/zinc/43/64/43/460436443.db2.gz WQCRPXUEEFVXIS-UHFFFAOYSA-N -1 0 326.308 3.126 20 30 EGEDRM N#Cc1ccccc1CSCCN=c1[n-]c(-c2ccccc2)no1 ZINC000604560311 460447377 /nfs/dbraw/zinc/44/73/77/460447377.db2.gz IEXHHWGURQMMRR-UHFFFAOYSA-N -1 0 336.420 3.375 20 30 EGEDRM N#Cc1cccc(C[NH2+][C@@H](C(=O)[O-])c2cccc(Br)c2)c1 ZINC000617345453 460821712 /nfs/dbraw/zinc/82/17/12/460821712.db2.gz SQZBNOUFTQQJCX-OAHLLOKOSA-N -1 0 345.196 3.236 20 30 EGEDRM CCOc1ccc(C#N)cc1NC(=O)[C@@](C)(CC(=O)[O-])CC(C)C ZINC000601987094 460972870 /nfs/dbraw/zinc/97/28/70/460972870.db2.gz QOZUBZWIAQVOJF-GOSISDBHSA-N -1 0 332.400 3.423 20 30 EGEDRM C=C(C)C[C@H](NC(=O)CCc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000630319133 461093917 /nfs/dbraw/zinc/09/39/17/461093917.db2.gz SRAKRPYOJGRLOQ-ZDUSSCGKSA-N -1 0 330.211 3.462 20 30 EGEDRM Cn1cnc(-c2ccc(C([O-])=C(C#N)c3nc(C4CC4)cs3)cc2)n1 ZINC000647378933 461668319 /nfs/dbraw/zinc/66/83/19/461668319.db2.gz NWZFZQWVPVYVQT-AWEZNQCLSA-N -1 0 349.419 3.306 20 30 EGEDRM COc1cccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2c2cccc(C)c2)c1 ZINC000071892428 526243422 /nfs/dbraw/zinc/24/34/22/526243422.db2.gz FNDWWPXNWPZMKC-DLBZAZTESA-N -1 0 345.420 3.453 20 30 EGEDRM C=CCOc1ccccc1C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000325470023 547474523 /nfs/dbraw/zinc/47/45/23/547474523.db2.gz SYYNVORHUHYBMX-AWEZNQCLSA-N -1 0 331.412 3.214 20 30 EGEDRM C=CCOc1ccccc1C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000325470024 547475197 /nfs/dbraw/zinc/47/51/97/547475197.db2.gz SYYNVORHUHYBMX-CQSZACIVSA-N -1 0 331.412 3.214 20 30 EGEDRM C[C@]1(C#N)CCCN(C(=O)c2ccc(C(=O)c3cccc(O)c3)cc2)C1 ZINC000672952871 548509672 /nfs/dbraw/zinc/50/96/72/548509672.db2.gz YTEQHJCVVNHEQN-OAQYLSRUSA-N -1 0 348.402 3.389 20 30 EGEDRM COc1ncccc1C([O-])=C(C#N)c1nc2cc(F)ccc2s1 ZINC000678325293 549469903 /nfs/dbraw/zinc/46/99/03/549469903.db2.gz PZYJLLNLBJOZMV-LLVKDONJSA-N -1 0 327.340 3.329 20 30 EGEDRM C=CCCC[C@H](C)NC(=O)N[C@@H](C(=O)[O-])c1ccc(OC)c(F)c1 ZINC000684733023 550362402 /nfs/dbraw/zinc/36/24/02/550362402.db2.gz LIQPYJIOVAMFFB-XHDPSFHLSA-N -1 0 338.379 3.004 20 30 EGEDRM N#Cc1ccc(Oc2cccc(NC(=O)NCCCC(=O)[O-])c2)cc1 ZINC000738434547 574668200 /nfs/dbraw/zinc/66/82/00/574668200.db2.gz KITYYIVCNICSMZ-UHFFFAOYSA-N -1 0 339.351 3.337 20 30 EGEDRM O=[N+]([O-])c1ccc(NN=Cc2ccc([N+](=O)[O-])c([O-])c2)c(Cl)c1 ZINC000727650194 574680968 /nfs/dbraw/zinc/68/09/68/574680968.db2.gz RSNSZOCYLCBJQV-UHFFFAOYSA-N -1 0 336.691 3.308 20 30 EGEDRM CC(=NNc1ncnc2[nH]cnc21)c1ccc(Cl)c(Cl)c1[O-] ZINC000727651368 574681183 /nfs/dbraw/zinc/68/11/83/574681183.db2.gz VWZPABAOCJWVBX-UHFFFAOYSA-N -1 0 337.170 3.201 20 30 EGEDRM CN(C)c1ccc(/C=C\C(=O)c2cccc(OCC(=O)[O-])c2)cc1F ZINC000727654016 574681688 /nfs/dbraw/zinc/68/16/88/574681688.db2.gz FHWUUHYCWQDAST-CLFYSBASSA-N -1 0 343.354 3.251 20 30 EGEDRM Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C\c1cn(-c3ccccc3)nn1)CC2 ZINC000728698129 574767371 /nfs/dbraw/zinc/76/73/71/574767371.db2.gz DDIBTXCXATWIGI-XFXZXTDPSA-N -1 0 349.346 3.079 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)CCc2ccccc2C)n1 ZINC000729013768 574804915 /nfs/dbraw/zinc/80/49/15/574804915.db2.gz VQSWOKKEVYLKLB-OAHLLOKOSA-N -1 0 342.420 3.112 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])c(/C=N\[C@H]2CCN(c3ccc(F)cc3F)C2)c1 ZINC000730146745 574925036 /nfs/dbraw/zinc/92/50/36/574925036.db2.gz DYFNXSGZKGJSPV-CCSWUNFSSA-N -1 0 347.321 3.276 20 30 EGEDRM COc1cc(C#N)ccc1OCCOc1ccc(C)cc1C(=O)[O-] ZINC000737844912 574994509 /nfs/dbraw/zinc/99/45/09/574994509.db2.gz WRFYTGFNFOAPTO-UHFFFAOYSA-N -1 0 327.336 3.031 20 30 EGEDRM C#CCOc1cccc(NC(=O)C[C@@](C)(C(=O)[O-])c2ccccc2)c1 ZINC000731040449 575046042 /nfs/dbraw/zinc/04/60/42/575046042.db2.gz SWKWXBAJLNMZPS-HXUWFJFHSA-N -1 0 337.375 3.070 20 30 EGEDRM C[C@H](/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-])C(=O)Nc1ccccc1 ZINC000732529084 575274249 /nfs/dbraw/zinc/27/42/49/575274249.db2.gz OFXODCKWLWQPDA-OAOMGELKSA-N -1 0 347.758 3.400 20 30 EGEDRM COc1ccc(C(=O)/C=C\c2cccc(OCC(=O)[O-])c2)cc1F ZINC000733207321 575320631 /nfs/dbraw/zinc/32/06/31/575320631.db2.gz XKKKNMXAJFWADJ-ALCCZGGFSA-N -1 0 330.311 3.194 20 30 EGEDRM O=C([O-])COc1cccc(/C=C\C(=O)c2cnn(-c3ccccc3)c2)c1 ZINC000733207127 575320664 /nfs/dbraw/zinc/32/06/64/575320664.db2.gz UYAIOUATKRLHQT-KTKRTIGZSA-N -1 0 348.358 3.232 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)C=C2CCC(C)CC2)n1 ZINC000734204093 575457474 /nfs/dbraw/zinc/45/74/74/575457474.db2.gz ITQXWQIKBZBVJU-IAXJKZSUSA-N -1 0 332.425 3.308 20 30 EGEDRM C=CCOCC(=O)Oc1ccc2c(c1)c(C(=O)[O-])c(C)n2C1CC1 ZINC000736109525 575897002 /nfs/dbraw/zinc/89/70/02/575897002.db2.gz MYEOKFZSKRQJPG-UHFFFAOYSA-N -1 0 329.352 3.091 20 30 EGEDRM C=C(Br)CN(CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000736095018 575898643 /nfs/dbraw/zinc/89/86/43/575898643.db2.gz DTCPXRYCJOYAIH-UHFFFAOYSA-N -1 0 334.160 3.150 20 30 EGEDRM C=CCc1ccccc1OS(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC000736113941 575900246 /nfs/dbraw/zinc/90/02/46/575900246.db2.gz DWZRKVRVYMQQOZ-UHFFFAOYSA-N -1 0 332.377 3.022 20 30 EGEDRM C=CCSc1ccccc1NC(=O)CS[C@@H](C)CC(=O)[O-] ZINC000736114415 575900734 /nfs/dbraw/zinc/90/07/34/575900734.db2.gz KUHWKOKEOQBLTG-NSHDSACASA-N -1 0 325.455 3.500 20 30 EGEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)CCSCC(=O)[O-] ZINC000736201085 575914463 /nfs/dbraw/zinc/91/44/63/575914463.db2.gz GDYKYPVKUPQKAE-NSHDSACASA-N -1 0 338.454 3.085 20 30 EGEDRM CC(C)[C@H](NC(=O)[O-])C(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000736201187 575914510 /nfs/dbraw/zinc/91/45/10/575914510.db2.gz GZOGIVGQNUMIBI-FZMZJTMJSA-N -1 0 335.429 3.169 20 30 EGEDRM CC(C)(C)c1cc(C(=O)[O-])c(NC(=O)c2ccc(C#N)nc2)s1 ZINC000736293590 575928561 /nfs/dbraw/zinc/92/85/61/575928561.db2.gz CZRMAOHOOXGXDG-UHFFFAOYSA-N -1 0 329.381 3.263 20 30 EGEDRM CC(C)=C[C@@H]1[C@@H](C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)C1(C)C ZINC000736343387 575940923 /nfs/dbraw/zinc/94/09/23/575940923.db2.gz BNZMTFSCWLVDAR-PMPSAXMXSA-N -1 0 327.380 3.466 20 30 EGEDRM CC(C)[C@H](NC(=O)[O-])C(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC000736374467 575946994 /nfs/dbraw/zinc/94/69/94/575946994.db2.gz HAUJKTMZQNRXDU-INIZCTEOSA-N -1 0 342.420 3.379 20 30 EGEDRM C[C@@H](Cc1cccc(F)c1)C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736626142 575995212 /nfs/dbraw/zinc/99/52/12/575995212.db2.gz KHGQEHLMQFBJBN-YVEFUNNKSA-N -1 0 341.338 3.245 20 30 EGEDRM CCCc1ccc(N)c(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000737045156 576089063 /nfs/dbraw/zinc/08/90/63/576089063.db2.gz OOZBSQFDOCWLMI-KRWDZBQOSA-N -1 0 338.363 3.076 20 30 EGEDRM CCOc1cc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)ccc1C ZINC000737192229 576132119 /nfs/dbraw/zinc/13/21/19/576132119.db2.gz DYHBZMFCCVKOTB-KRWDZBQOSA-N -1 0 339.347 3.248 20 30 EGEDRM FC(F)(F)c1cc(NN=Cc2ccccc2)ccc1-c1nn[nH]n1 ZINC000737632010 576256863 /nfs/dbraw/zinc/25/68/63/576256863.db2.gz HUSVEDTYGIYITB-UHFFFAOYSA-N -1 0 332.289 3.332 20 30 EGEDRM FC(F)(F)c1cc(NN=Cc2ccsc2)ccc1-c1nn[nH]n1 ZINC000737630988 576256961 /nfs/dbraw/zinc/25/69/61/576256961.db2.gz ANDDNEPQODRRAT-UHFFFAOYSA-N -1 0 338.318 3.393 20 30 EGEDRM Cc1cc(/C=C/C(=O)N(CC#N)CC(=O)[O-])c(C)n1C1CCCCC1 ZINC000738378204 576319838 /nfs/dbraw/zinc/31/98/38/576319838.db2.gz BZKNRXUFOKNLLF-CMDGGOBGSA-N -1 0 343.427 3.060 20 30 EGEDRM Cc1cc(NC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)ccc1C(=O)[O-] ZINC000738420994 576323755 /nfs/dbraw/zinc/32/37/55/576323755.db2.gz BFEYFIAHQBRENB-GOSISDBHSA-N -1 0 349.390 3.172 20 30 EGEDRM Cc1cc(NC(=O)c2cc3ccccc3n2CC#N)ccc1C(=O)[O-] ZINC000738448169 576327582 /nfs/dbraw/zinc/32/75/82/576327582.db2.gz BNINMLDNMKLJIO-UHFFFAOYSA-N -1 0 333.347 3.424 20 30 EGEDRM Cc1ccc(CCC(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c(C)c1 ZINC000738588662 576339589 /nfs/dbraw/zinc/33/95/89/576339589.db2.gz CTYJYFISOBPEQX-LJQANCHMSA-N -1 0 337.375 3.477 20 30 EGEDRM Cc1ccc(CCC(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)c(C)c1 ZINC000738588659 576339604 /nfs/dbraw/zinc/33/96/04/576339604.db2.gz CTYJYFISOBPEQX-IBGZPJMESA-N -1 0 337.375 3.477 20 30 EGEDRM N#CCN(CC(=O)[O-])C(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1 ZINC000739078230 576376979 /nfs/dbraw/zinc/37/69/79/576376979.db2.gz ZEPAOVORYXZZBS-SOFGYWHQSA-N -1 0 344.367 3.004 20 30 EGEDRM N#CCc1cccc(C(=O)Nc2sc3c(c2C(=O)[O-])CCC3)c1 ZINC000739092215 576377559 /nfs/dbraw/zinc/37/75/59/576377559.db2.gz PRYYFNMTJHYOOY-UHFFFAOYSA-N -1 0 326.377 3.253 20 30 EGEDRM N#Cc1cc(NC(=O)CCc2ccc(C(=O)[O-])cc2)ccc1Cl ZINC000739099326 576377808 /nfs/dbraw/zinc/37/78/08/576377808.db2.gz UPHMQTQZDQCZPQ-UHFFFAOYSA-N -1 0 328.755 3.481 20 30 EGEDRM N#Cc1ccc([C@@H](OC(=O)/C=C/c2cccc(F)c2)C(=O)[O-])cc1 ZINC000739111172 576378468 /nfs/dbraw/zinc/37/84/68/576378468.db2.gz VAPRCLWDQUQWGE-RCMYXZNBSA-N -1 0 325.295 3.080 20 30 EGEDRM N#Cc1ccc([C@@H](OC(=O)c2cccc3ncccc32)C(=O)[O-])cc1 ZINC000739116080 576378877 /nfs/dbraw/zinc/37/88/77/576378877.db2.gz ZDGRVAVMOYXMDO-QGZVFWFLSA-N -1 0 332.315 3.089 20 30 EGEDRM N#Cc1ccc(NC(=S)NCCCCCC(=O)[O-])cc1Cl ZINC000739120850 576379078 /nfs/dbraw/zinc/37/90/78/576379078.db2.gz FJKCUPOFPFVCNA-UHFFFAOYSA-N -1 0 325.821 3.143 20 30 EGEDRM N#Cc1ccc(SCc2cn3cccc(C(=O)[O-])c3n2)c(F)c1 ZINC000739132411 576379236 /nfs/dbraw/zinc/37/92/36/576379236.db2.gz PDZNZXWUJBCJQB-UHFFFAOYSA-N -1 0 327.340 3.336 20 30 EGEDRM N#Cc1ccc(SCC(=O)Nc2ccc(C(=O)[O-])cc2F)cc1 ZINC000739131802 576379343 /nfs/dbraw/zinc/37/93/43/576379343.db2.gz FQOXEZWSFXOZMV-UHFFFAOYSA-N -1 0 330.340 3.126 20 30 EGEDRM CN(C)c1nccc(NN=Cc2cc(Cl)cc(Cl)c2[O-])n1 ZINC000739418618 576409784 /nfs/dbraw/zinc/40/97/84/576409784.db2.gz XQCYYCULAGLMEC-UHFFFAOYSA-N -1 0 326.187 3.001 20 30 EGEDRM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1 ZINC000739573921 576430851 /nfs/dbraw/zinc/43/08/51/576430851.db2.gz MVSCJYAEDVOPRU-DLBZAZTESA-N -1 0 348.402 3.311 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@H](C)c2cccc(C)c2)n1 ZINC000740346142 576578059 /nfs/dbraw/zinc/57/80/59/576578059.db2.gz FBSOFNKTUBOHOF-HIFRSBDPSA-N -1 0 342.420 3.283 20 30 EGEDRM COc1cccc(/C=C\C(=O)c2cccc(O[C@H](C)C(=O)[O-])c2)c1 ZINC000745020839 576838702 /nfs/dbraw/zinc/83/87/02/576838702.db2.gz IHEQLFJZODPMBE-ASCRHOAZSA-N -1 0 326.348 3.443 20 30 EGEDRM CC(C)(C)Cc1nc2cc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])ccc2o1 ZINC000819908666 597645551 /nfs/dbraw/zinc/64/55/51/597645551.db2.gz MSLCIKILOXVLNZ-GOSISDBHSA-N -1 0 343.383 3.359 20 30 EGEDRM C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000819874615 597651490 /nfs/dbraw/zinc/65/14/90/597651490.db2.gz NIYHAHMPVYPCDS-LBPRGKRZSA-N -1 0 339.351 3.249 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000819847120 598221549 /nfs/dbraw/zinc/22/15/49/598221549.db2.gz KDGVPWPXMKOQPC-IBGZPJMESA-N -1 0 348.362 3.173 20 30 EGEDRM Cc1nc(-c2cccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])c2)cs1 ZINC000821152453 598222739 /nfs/dbraw/zinc/22/27/39/598222739.db2.gz BXJWJEXPPQANJC-MRXNPFEDSA-N -1 0 329.381 3.062 20 30 EGEDRM Cc1ccc(-c2nc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])sc2C)s1 ZINC000821052222 598226805 /nfs/dbraw/zinc/22/68/05/598226805.db2.gz KRXGUNSZTYMWRG-OAHLLOKOSA-N -1 0 349.437 3.432 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000819857194 598227263 /nfs/dbraw/zinc/22/72/63/598227263.db2.gz UHTUQCUDDSDEKT-LJQANCHMSA-N -1 0 349.346 3.294 20 30 EGEDRM C=CCN(CC1CCCCC1)S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000825682235 600746458 /nfs/dbraw/zinc/74/64/58/600746458.db2.gz UOUGAPMAKMCOKE-UHFFFAOYSA-N -1 0 343.470 3.203 20 30 EGEDRM C[C@@H](NC(=O)Nc1ccc(CNC(=O)[O-])cc1)c1cccc(C#N)c1 ZINC000827672154 601052506 /nfs/dbraw/zinc/05/25/06/601052506.db2.gz RJCOAKACUFHVBE-GFCCVEGCSA-N -1 0 338.367 3.209 20 30 EGEDRM Cc1c(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cnc2ccccc12 ZINC000832853716 601188987 /nfs/dbraw/zinc/18/89/87/601188987.db2.gz MFGJXFMEQLPNQX-GOSISDBHSA-N -1 0 346.342 3.398 20 30 EGEDRM Cc1ccccc1[C@H]1CN([C@H](C(=O)[O-])c2cccc(C#N)c2)CCO1 ZINC000832977873 601320749 /nfs/dbraw/zinc/32/07/49/601320749.db2.gz WHWLMOUBLHDXAM-MOPGFXCFSA-N -1 0 336.391 3.066 20 30 EGEDRM N#Cc1cccc([C@@H](OC(=O)c2c(F)cccc2Cl)C(=O)[O-])c1 ZINC000833077203 601345170 /nfs/dbraw/zinc/34/51/70/601345170.db2.gz NEJSRZLGJOAJTH-CQSZACIVSA-N -1 0 333.702 3.333 20 30 EGEDRM N#Cc1cccc([C@H](OC(=O)C23CC4CC(CC(C4)C2)C3)C(=O)[O-])c1 ZINC000833074608 601345178 /nfs/dbraw/zinc/34/51/78/601345178.db2.gz BMZSWTOCGQDSLK-SOZFHFLDSA-N -1 0 339.391 3.444 20 30 EGEDRM C=CCOc1ccccc1C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000825702265 601348087 /nfs/dbraw/zinc/34/80/87/601348087.db2.gz GRPYHKLAOVVARA-KRWDZBQOSA-N -1 0 337.331 3.106 20 30 EGEDRM CCSc1ccc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cn1 ZINC000830169015 601351739 /nfs/dbraw/zinc/35/17/39/601351739.db2.gz LHABXFLMDDGXJA-HNNXBMFYSA-N -1 0 342.376 3.048 20 30 EGEDRM N#Cc1cccc([C@@H](OC(=O)c2ccc(C(F)F)cc2)C(=O)[O-])c1 ZINC000833077417 601352533 /nfs/dbraw/zinc/35/25/33/601352533.db2.gz RXMBLNLOVNRTCJ-CQSZACIVSA-N -1 0 331.274 3.479 20 30 EGEDRM N#Cc1cccc([C@@H](OC(=O)c2cccc(C(F)F)c2)C(=O)[O-])c1 ZINC000833077589 601353498 /nfs/dbraw/zinc/35/34/98/601353498.db2.gz XCJMCZZUEPDVLR-CQSZACIVSA-N -1 0 331.274 3.479 20 30 EGEDRM Cc1ccc2cccc(C(=O)O[C@@H](C(=O)[O-])c3cccc(C#N)c3)c2n1 ZINC000832962189 601354723 /nfs/dbraw/zinc/35/47/23/601354723.db2.gz UTNUULFRXAKMSS-GOSISDBHSA-N -1 0 346.342 3.398 20 30 EGEDRM N#Cc1cccc([C@H](OC(=O)c2cc3cccc(F)c3o2)C(=O)[O-])c1 ZINC000833076075 601355014 /nfs/dbraw/zinc/35/50/14/601355014.db2.gz IHGMDLLAWWZAIT-INIZCTEOSA-N -1 0 339.278 3.426 20 30 EGEDRM C/C(=C/c1ccc(F)cc1)C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000825798502 601355516 /nfs/dbraw/zinc/35/55/16/601355516.db2.gz NHHGNDDCCWZPQB-GKUQOKNUSA-N -1 0 339.322 3.470 20 30 EGEDRM C=CCNc1nnc(SCc2cc(C(=O)[O-])oc2CC)s1 ZINC000825692386 601404848 /nfs/dbraw/zinc/40/48/48/601404848.db2.gz RZBMNQSEYYOJHL-UHFFFAOYSA-N -1 0 325.415 3.282 20 30 EGEDRM C=CCCO[C@H](C)C(=O)Oc1ccc2c(c1)c(C(=O)[O-])c(C)n2C ZINC000825675768 601450319 /nfs/dbraw/zinc/45/03/19/601450319.db2.gz FHCLIFQUGOQNJM-GFCCVEGCSA-N -1 0 331.368 3.072 20 30 EGEDRM N#Cc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)s1 ZINC000833072354 601620246 /nfs/dbraw/zinc/62/02/46/601620246.db2.gz SACMDYQNDHALII-LBPRGKRZSA-N -1 0 334.784 3.219 20 30 EGEDRM C[C@@H](CC#N)N(C)C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000827212944 601623616 /nfs/dbraw/zinc/62/36/16/601623616.db2.gz HJNIXOXSMXLZLZ-LBPRGKRZSA-N -1 0 335.429 3.160 20 30 EGEDRM COc1cccc(C=NOCc2ccc(C(=O)[O-])c(F)c2)c1OC ZINC000832545629 601629937 /nfs/dbraw/zinc/62/99/37/601629937.db2.gz KXWYVBCHUPVZIC-UHFFFAOYSA-N -1 0 333.315 3.092 20 30 EGEDRM C=CCNc1nnc(SCc2ccc(C(=O)[O-])c(F)c2)s1 ZINC000825692330 601670003 /nfs/dbraw/zinc/67/00/03/601670003.db2.gz QIAVXGHABHGPMA-UHFFFAOYSA-N -1 0 325.390 3.266 20 30 EGEDRM O=C([O-])c1cc(C=NNc2ccc(Br)cc2F)c[nH]1 ZINC000814835743 601797498 /nfs/dbraw/zinc/79/74/98/601797498.db2.gz AELYODBXEUSXFK-UHFFFAOYSA-N -1 0 326.125 3.061 20 30 EGEDRM O=C([O-])c1cc(C=NNc2ccc(OCC(F)(F)F)cc2)c[nH]1 ZINC000814830725 601797595 /nfs/dbraw/zinc/79/75/95/601797595.db2.gz RHANECJEXNKWBW-UHFFFAOYSA-N -1 0 327.262 3.100 20 30 EGEDRM C[C@@H](CC#N)N(C)C(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000827212956 602000225 /nfs/dbraw/zinc/00/02/25/602000225.db2.gz HRGKFLBAVASXIO-QMMMGPOBSA-N -1 0 329.278 3.169 20 30 EGEDRM Cc1cc(C(=O)/C=C/c2ccc(O[C@H](C)C(=O)[O-])cc2)ccc1O ZINC000794706638 602110605 /nfs/dbraw/zinc/11/06/05/602110605.db2.gz GZUMIRFDAMGQBS-OMDQHUAHSA-N -1 0 326.348 3.449 20 30 EGEDRM C=CC[C@H](C)NC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000825660083 602228616 /nfs/dbraw/zinc/22/86/16/602228616.db2.gz RLJKGQPHZRJNKW-LBPRGKRZSA-N -1 0 328.368 3.389 20 30 EGEDRM C=CCn1c(SCc2occc2C(=O)[O-])nnc1-c1ccccn1 ZINC000825710765 602242713 /nfs/dbraw/zinc/24/27/13/602242713.db2.gz AFHQKNPQRZYGBC-UHFFFAOYSA-N -1 0 342.380 3.110 20 30 EGEDRM N#CC1(C(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)CCCC1 ZINC000833065231 602300673 /nfs/dbraw/zinc/30/06/73/602300673.db2.gz WAHKYAUDKQGBNJ-UHFFFAOYSA-N -1 0 338.363 3.326 20 30 EGEDRM N#Cc1ccc(NC(=O)CNc2ccc(C(=O)[O-])c(F)c2)cc1Cl ZINC000833073061 602303530 /nfs/dbraw/zinc/30/35/30/602303530.db2.gz GGDXOFACRMXAMT-UHFFFAOYSA-N -1 0 347.733 3.100 20 30 EGEDRM C=CCOc1ccc(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)cc1OC ZINC000767199062 602354854 /nfs/dbraw/zinc/35/48/54/602354854.db2.gz DOMFPTANBKNPNY-UHFFFAOYSA-N -1 0 345.326 3.350 20 30 EGEDRM CCOc1ccc(C#N)cc1NC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000830059516 604293028 /nfs/dbraw/zinc/29/30/28/604293028.db2.gz BHPJECYCVCERCC-UHFFFAOYSA-N -1 0 328.299 3.047 20 30 EGEDRM CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000826636673 604377864 /nfs/dbraw/zinc/37/78/64/604377864.db2.gz BSOHRLFWSGDADR-UHFFFAOYSA-N -1 0 342.326 3.192 20 30 EGEDRM CC(C)(Oc1ccc(C#N)cc1)C(=O)Oc1ccc(C(=O)[O-])cc1 ZINC000826641770 604407173 /nfs/dbraw/zinc/40/71/73/604407173.db2.gz HRYYISANGDXIMI-UHFFFAOYSA-N -1 0 325.320 3.019 20 30 EGEDRM CNC(=O)c1ccc(CSCc2cccc(C(=O)[O-])c2C#N)cc1 ZINC000833699854 604539123 /nfs/dbraw/zinc/53/91/23/604539123.db2.gz BEWUNKXPVGXAAF-UHFFFAOYSA-N -1 0 340.404 3.049 20 30 EGEDRM Cc1oc(C(=O)[O-])cc1COC(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000833026105 604618206 /nfs/dbraw/zinc/61/82/06/604618206.db2.gz VWACHUDYRXLPPK-UHFFFAOYSA-N -1 0 343.335 3.059 20 30 EGEDRM COc1ccc(/C=C\C(=O)c2ccc(C(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000832282575 604627286 /nfs/dbraw/zinc/62/72/86/604627286.db2.gz VLTATPCDMMCNTC-WAPJZHGLSA-N -1 0 327.292 3.198 20 30 EGEDRM C#CC[C@@H](NC(=O)Nc1cccc(OCC(=O)[O-])c1)c1ccccc1 ZINC000833360694 604656109 /nfs/dbraw/zinc/65/61/09/604656109.db2.gz ODENVROSTCOZMO-QGZVFWFLSA-N -1 0 338.363 3.036 20 30 EGEDRM CN1c2ccccc2C(C)(C)C1C=CN=Nc1ccc(C(=O)[O-])cn1 ZINC000763368935 604666053 /nfs/dbraw/zinc/66/60/53/604666053.db2.gz QNZYUDKRPFSNOK-WQJCVYAFSA-N -1 0 336.395 3.489 20 30 EGEDRM C=CCN(Cc1cccc(C#N)c1)C(=O)Cc1cccc(C(=O)[O-])c1 ZINC000833376498 604724459 /nfs/dbraw/zinc/72/44/59/604724459.db2.gz XHXGNCLAYWHYRD-UHFFFAOYSA-N -1 0 334.375 3.014 20 30 EGEDRM C=CCNC(=S)Nc1cc(Br)cc(C(=O)[O-])c1Cl ZINC000833376571 604923251 /nfs/dbraw/zinc/92/32/51/604923251.db2.gz HLKMXRZSAIVGPO-UHFFFAOYSA-N -1 0 349.637 3.273 20 30 EGEDRM C[C@@H](CC#N)NN=Cc1ccc(OCc2ccc(C(=O)[O-])cc2)cc1 ZINC000827217181 604984308 /nfs/dbraw/zinc/98/43/08/604984308.db2.gz AEDWNRIZUONODK-AWEZNQCLSA-N -1 0 337.379 3.189 20 30 EGEDRM C#CCCCCC(=O)Oc1ccc(Br)cc1C(=O)[O-] ZINC000833362691 605020673 /nfs/dbraw/zinc/02/06/73/605020673.db2.gz FJEFEQHKJLVHSP-UHFFFAOYSA-N -1 0 325.158 3.246 20 30 EGEDRM C[C@H](C(=O)[O-])n1cccc1C=NNc1ccccc1Br ZINC000833405267 605038690 /nfs/dbraw/zinc/03/86/90/605038690.db2.gz CHLYXRDLXUMWDE-SNVBAGLBSA-N -1 0 336.189 3.342 20 30 EGEDRM CCn1c2ccc(C#N)cc2nc1NC(=O)c1cccc(NC(=O)[O-])c1 ZINC000833684239 605052547 /nfs/dbraw/zinc/05/25/47/605052547.db2.gz ULDZUIMIOGLXJB-UHFFFAOYSA-N -1 0 349.350 3.270 20 30 EGEDRM CN(C)c1cc(F)ccc1C(=O)/C=C\c1ccc(OCC(=O)[O-])cc1 ZINC000764443847 605145403 /nfs/dbraw/zinc/14/54/03/605145403.db2.gz YVDPWYZVFISXRV-YHYXMXQVSA-N -1 0 343.354 3.251 20 30 EGEDRM C#CCCCCC(=O)OCc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000833362947 605194387 /nfs/dbraw/zinc/19/43/87/605194387.db2.gz SOEVZPZFBDSDHS-UHFFFAOYSA-N -1 0 327.336 3.277 20 30 EGEDRM CC(C)(C)n1cc(C#N)cc1NC(=O)NCC1(C(=O)[O-])CCCCC1 ZINC000833452747 605340458 /nfs/dbraw/zinc/34/04/58/605340458.db2.gz HNZKJFLOUBDNKP-UHFFFAOYSA-N -1 0 346.431 3.271 20 30 EGEDRM Cc1ccc(C[C@H](C)C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000833748433 605460217 /nfs/dbraw/zinc/46/02/17/605460217.db2.gz MZXXHYAGANHNNC-KBXCAEBGSA-N -1 0 337.375 3.414 20 30 EGEDRM C=CCN(CCc1ccco1)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000833374533 605483881 /nfs/dbraw/zinc/48/38/81/605483881.db2.gz OSKJTLOSDMTBDL-UHFFFAOYSA-N -1 0 343.383 3.310 20 30 EGEDRM C#CCCCCCC(=O)N(C)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000833361748 605625501 /nfs/dbraw/zinc/62/55/01/605625501.db2.gz JYGQLWMPLRCXFS-INIZCTEOSA-N -1 0 341.329 3.272 20 30 EGEDRM CC(C)c1nc(-c2nnn[n-]2)c(N=NCc2ccccc2C2CC2)o1 ZINC000820202207 606202771 /nfs/dbraw/zinc/20/27/71/606202771.db2.gz FHXZCKCHGYJYGE-UHFFFAOYSA-N -1 0 337.387 3.302 20 30 EGEDRM O=C(C=Cc1ccc(F)c(-c2nn[nH]n2)c1)c1cc(Cl)ccc1[O-] ZINC000826401148 608881667 /nfs/dbraw/zinc/88/16/67/608881667.db2.gz QRFWOLCBPPTINZ-DJWKRKHSSA-N -1 0 344.733 3.261 20 30 EGEDRM Cn1ncc2c1nc(N=NC1CCCC[C@@H]1c1ccccc1)[n-]c2=O ZINC000769818089 1303180308 /nfs/dbraw/zinc/18/03/08/1303180308.db2.gz FUWOFPJQPNQBLK-CYBMUJFWSA-N -1 0 336.399 3.195 20 30 EGEDRM N#Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000042233037 1291437175 /nfs/dbraw/zinc/43/71/75/1291437175.db2.gz YBYCJKXBBZWXRO-UHFFFAOYSA-N -1 0 336.372 3.405 20 30 EGEDRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)CCCc1cccs1 ZINC000042291857 1291439448 /nfs/dbraw/zinc/43/94/48/1291439448.db2.gz NPZDBRRWXBWFDG-UHFFFAOYSA-N -1 0 328.415 3.021 20 30 EGEDRM CCCCCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000042338906 1291441758 /nfs/dbraw/zinc/44/17/58/1291441758.db2.gz NZSVRXUSCFHCNH-UHFFFAOYSA-N -1 0 327.402 3.073 20 30 EGEDRM O=C(CCC1CCCC1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000046927653 1291556505 /nfs/dbraw/zinc/55/65/05/1291556505.db2.gz OEVWGJCFSLGYEQ-UHFFFAOYSA-N -1 0 326.374 3.210 20 30 EGEDRM COc1ccccc1CC(=O)[N-]S(=O)(=O)c1ccc(C)cc1C ZINC000046930074 1291558077 /nfs/dbraw/zinc/55/80/77/1291558077.db2.gz KYWAGPXJJJELKT-UHFFFAOYSA-N -1 0 333.409 3.200 20 30 EGEDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)[C@H](C)OCc1ccccc1 ZINC000048425889 1291604266 /nfs/dbraw/zinc/60/42/66/1291604266.db2.gz WZPAUYOKGGIEMU-AWEZNQCLSA-N -1 0 333.409 3.246 20 30 EGEDRM Cc1cc2ccccc2n1CC(=O)[N-]S(=O)(=O)c1cccs1 ZINC000048428145 1291604682 /nfs/dbraw/zinc/60/46/82/1291604682.db2.gz NKDBYQGTQDHFRK-UHFFFAOYSA-N -1 0 334.422 3.357 20 30 EGEDRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)CCSc1ccccc1 ZINC000048490229 1291606693 /nfs/dbraw/zinc/60/66/93/1291606693.db2.gz KYONETXXFXYPFG-UHFFFAOYSA-N -1 0 340.426 3.119 20 30 EGEDRM CS[C@@H](C)C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000048519279 1291609380 /nfs/dbraw/zinc/60/93/80/1291609380.db2.gz HADXQLMSXWPYHP-LURJTMIESA-N -1 0 328.242 3.390 20 30 EGEDRM CCCCc1ccc(CC(=O)[N-]S(=O)(=O)c2cccnc2)cc1 ZINC000048532118 1291610378 /nfs/dbraw/zinc/61/03/78/1291610378.db2.gz DAUFFGQQKJYIGJ-UHFFFAOYSA-N -1 0 332.425 3.312 20 30 EGEDRM N#Cc1ccc(CCC(=O)[N-]S(=O)(=O)C=Cc2ccccc2)cc1 ZINC000048530598 1291610564 /nfs/dbraw/zinc/61/05/64/1291610564.db2.gz MHMJULNWDYUNCJ-SEYXRHQNSA-N -1 0 340.404 3.448 20 30 EGEDRM CCc1ccccc1OCC(=O)[N-]S(=O)(=O)c1ccccc1F ZINC000048588778 1291612401 /nfs/dbraw/zinc/61/24/01/1291612401.db2.gz ZEQWBVYIPQMLLE-UHFFFAOYSA-N -1 0 337.372 3.112 20 30 EGEDRM Cc1occc1C(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000048613878 1291612985 /nfs/dbraw/zinc/61/29/85/1291612985.db2.gz RTVVPHXVLUNDCK-UHFFFAOYSA-N -1 0 333.287 3.300 20 30 EGEDRM CC(C)S(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000050206857 1291641471 /nfs/dbraw/zinc/64/14/71/1291641471.db2.gz FGTZWKRWQOGRBH-NWDGAFQWSA-N -1 0 346.246 3.247 20 30 EGEDRM Cn1cnc(S(=O)(=O)[N-]C(=O)CCC2CCCCC2)c1Cl ZINC000058052702 1291875941 /nfs/dbraw/zinc/87/59/41/1291875941.db2.gz GHXSAXZKGFFJNG-UHFFFAOYSA-N -1 0 333.841 3.079 20 30 EGEDRM Cc1cnn(-c2ccc(C(=O)[N-]S(=O)(=O)C3CCCCC3)cc2)c1 ZINC000058080314 1291878374 /nfs/dbraw/zinc/87/83/74/1291878374.db2.gz HXKDZHJAMQQFBY-UHFFFAOYSA-N -1 0 347.440 3.148 20 30 EGEDRM CCc1nc(CC(=O)[N-]S(=O)(=O)c2ccccc2Cl)cs1 ZINC000066003570 1292103701 /nfs/dbraw/zinc/10/37/01/1292103701.db2.gz JQQNNOXPISMUFF-UHFFFAOYSA-N -1 0 344.845 3.247 20 30 EGEDRM COc1cc(/C=C2\COc3c(C)cccc3C2=O)cc([N+](=O)[O-])c1[O-] ZINC000066407993 1292115351 /nfs/dbraw/zinc/11/53/51/1292115351.db2.gz HZTRFISAJQQNGR-WUXMJOGZSA-N -1 0 341.319 3.276 20 30 EGEDRM CS[C@@H](C)C(=O)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000069641916 1292246588 /nfs/dbraw/zinc/24/65/88/1292246588.db2.gz QBOHIJRJISGUQN-BYPYZUCNSA-N -1 0 334.271 3.452 20 30 EGEDRM Cc1ccc(C)c(CC(=O)[N-]S(=O)(=O)CCc2ccccc2)c1 ZINC000076607796 1292433912 /nfs/dbraw/zinc/43/39/12/1292433912.db2.gz INRMHLWOGKBSHO-UHFFFAOYSA-N -1 0 331.437 3.375 20 30 EGEDRM O=C(CCC(=O)c1ccccc1)[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC000076762805 1292441186 /nfs/dbraw/zinc/44/11/86/1292441186.db2.gz BNPKIUCWHJATPJ-UHFFFAOYSA-N -1 0 349.383 3.275 20 30 EGEDRM C[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000076761510 1292441937 /nfs/dbraw/zinc/44/19/37/1292441937.db2.gz APCHAUPKFDJUNE-DGCLKSJQSA-N -1 0 340.401 3.207 20 30 EGEDRM CCN(Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-])C[C@H](C)C#N ZINC000076919359 1292449567 /nfs/dbraw/zinc/44/95/67/1292449567.db2.gz FKAKEPMTVLLMKU-CQSZACIVSA-N -1 0 338.407 3.310 20 30 EGEDRM CCCCS(=O)(=O)[N-]C(=O)C[C@@H](C)C(=O)c1cccc(F)c1 ZINC000080276587 1292592624 /nfs/dbraw/zinc/59/26/24/1292592624.db2.gz OURSMBICVCUMKE-LLVKDONJSA-N -1 0 329.393 3.121 20 30 EGEDRM CC(C)Oc1cccc(CC(=O)[N-]S(=O)(=O)C2CCCC2)c1 ZINC000086054254 1292727761 /nfs/dbraw/zinc/72/77/61/1292727761.db2.gz GJQYMFHDHDQMFH-UHFFFAOYSA-N -1 0 325.430 3.245 20 30 EGEDRM C[C@H](CCOc1ccccc1)C(=O)[N-]S(=O)(=O)C1CCCC1 ZINC000086056146 1292728836 /nfs/dbraw/zinc/72/88/36/1292728836.db2.gz LZTSBCMRMRQNIW-CYBMUJFWSA-N -1 0 325.430 3.321 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)Cc2ccc(F)cc2F)cc1C ZINC000088799926 1292756407 /nfs/dbraw/zinc/75/64/07/1292756407.db2.gz XHTFNIROPQJXQC-UHFFFAOYSA-N -1 0 339.363 3.470 20 30 EGEDRM Cc1ccccc1CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000091125413 1292821266 /nfs/dbraw/zinc/82/12/66/1292821266.db2.gz OZFCQGWRKULDPF-UHFFFAOYSA-N -1 0 345.420 3.208 20 30 EGEDRM COc1cc(/C=C\C(=O)c2ccc(F)cc2F)cc([N+](=O)[O-])c1[O-] ZINC000096765428 1292954187 /nfs/dbraw/zinc/95/41/87/1292954187.db2.gz HTDCOOFPGXHCRY-DJWKRKHSSA-N -1 0 335.262 3.483 20 30 EGEDRM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2ccsn2)cc1 ZINC000835062651 1293197063 /nfs/dbraw/zinc/19/70/63/1293197063.db2.gz QMPIKQNGYAEZJT-AWEZNQCLSA-N -1 0 327.409 3.447 20 30 EGEDRM C=CCC1(C(=O)[N-]S(=O)(=O)Cc2ccccc2Cl)CCCC1 ZINC000835213668 1293234702 /nfs/dbraw/zinc/23/47/02/1293234702.db2.gz DPGAPHFFNJGRBJ-UHFFFAOYSA-N -1 0 341.860 3.423 20 30 EGEDRM CC1(C)CC=C(C(=O)[N-]S(=O)(=O)CC2(C#N)CCCCC2)CC1 ZINC000835305086 1293258398 /nfs/dbraw/zinc/25/83/98/1293258398.db2.gz XHCNCUOUJRBBLE-UHFFFAOYSA-N -1 0 338.473 3.043 20 30 EGEDRM CCc1cccc(C([O-])=C(C#N)C(=O)N[C@H](CC)c2ccccc2)n1 ZINC000835342042 1293268617 /nfs/dbraw/zinc/26/86/17/1293268617.db2.gz YEXHKGRQAQKSEM-DLBZAZTESA-N -1 0 335.407 3.234 20 30 EGEDRM C[C@H]1CCc2sc(C([O-])=C(C#N)C(=O)NC3CCCC3)cc2C1 ZINC000119746306 1293286594 /nfs/dbraw/zinc/28/65/94/1293286594.db2.gz DNHDGFSDYUZCAT-SMDDNHRTSA-N -1 0 330.453 3.254 20 30 EGEDRM CC(C)COc1cccc(C([O-])=C(C#N)C(=O)NC2CCCC2)c1 ZINC000119758059 1293286897 /nfs/dbraw/zinc/28/68/97/1293286897.db2.gz LLVYEPAXELNAEJ-QGZVFWFLSA-N -1 0 328.412 3.103 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cc(F)cc(C(F)(F)F)c1 ZINC000119931305 1293294522 /nfs/dbraw/zinc/29/45/22/1293294522.db2.gz QILZUQTUGPOOPH-CYBMUJFWSA-N -1 0 344.308 3.473 20 30 EGEDRM N#CC(=C([O-])C=Cc1cccnc1)c1nc(-c2ccncc2)cs1 ZINC000120054265 1293301671 /nfs/dbraw/zinc/30/16/71/1293301671.db2.gz VLCRWOCKMLGSID-BWPKMQGJSA-N -1 0 332.388 3.490 20 30 EGEDRM CCCCCCCCCC(=O)[N-]S(=O)(=O)c1c(C)noc1C ZINC000120126746 1293306176 /nfs/dbraw/zinc/30/61/76/1293306176.db2.gz FDFUVNKLSYFKTQ-UHFFFAOYSA-N -1 0 330.450 3.237 20 30 EGEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1ccc(Oc2cccnc2)cc1 ZINC000120284915 1293314297 /nfs/dbraw/zinc/31/42/97/1293314297.db2.gz DEIYUPHFNWDTJA-GOSISDBHSA-N -1 0 349.390 3.255 20 30 EGEDRM Cc1noc(C)c1CC(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21 ZINC000121090810 1293355713 /nfs/dbraw/zinc/35/57/13/1293355713.db2.gz ZGCYKKMAXHYHRP-HNNXBMFYSA-N -1 0 335.363 3.215 20 30 EGEDRM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cnc(C(C)C)s1 ZINC000122464458 1293413221 /nfs/dbraw/zinc/41/32/21/1293413221.db2.gz YMXKDAZGICETRC-LLVKDONJSA-N -1 0 343.408 3.236 20 30 EGEDRM CCCCCOc1ccc(C([O-])=C(C#N)C(=O)c2nccn2C)cc1 ZINC000122709788 1293421789 /nfs/dbraw/zinc/42/17/89/1293421789.db2.gz QAOXCVQZALBFHY-INIZCTEOSA-N -1 0 339.395 3.194 20 30 EGEDRM Cc1c2cc(Cl)ccc2oc1C([O-])=C(C#N)C(=O)c1nccn1C ZINC000122879220 1293427243 /nfs/dbraw/zinc/42/72/43/1293427243.db2.gz RCFZOYSIKQITNS-LBPRGKRZSA-N -1 0 341.754 3.334 20 30 EGEDRM C[C@H](Sc1ccccc1Cl)C(=O)C(C#N)=C([O-])c1nccn1C ZINC000123210427 1293436685 /nfs/dbraw/zinc/43/66/85/1293436685.db2.gz PLTMLCFMXMFKDK-QWRGUYRKSA-N -1 0 347.827 3.146 20 30 EGEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(-c2ccc(F)cc2)s1 ZINC000124554771 1293478825 /nfs/dbraw/zinc/47/88/25/1293478825.db2.gz NAFYXGUVSWWDPC-CQSZACIVSA-N -1 0 342.395 3.499 20 30 EGEDRM Cc1ccc([N+](=O)[O-])cc1C(=O)/C=C/c1ccc([N+](=O)[O-])c([O-])c1 ZINC000128445488 1293593389 /nfs/dbraw/zinc/59/33/89/1293593389.db2.gz PMOHIPGEFHHBEB-QPJJXVBHSA-N -1 0 328.280 3.413 20 30 EGEDRM CC(C)NC(=O)C(C#N)=C([O-])c1ccc(COc2ccccc2)cc1 ZINC000130585301 1293662426 /nfs/dbraw/zinc/66/24/26/1293662426.db2.gz ICFAUEZXOOWOCA-SFHVURJKSA-N -1 0 336.391 3.113 20 30 EGEDRM N#Cc1ccc(C(=O)/C=C/c2cccc(OCCC(=O)[O-])c2)s1 ZINC000134498861 1293774772 /nfs/dbraw/zinc/77/47/72/1293774772.db2.gz WISANSNBIKIZNK-GQCTYLIASA-N -1 0 327.361 3.369 20 30 EGEDRM COc1ccc(/C=C/C(=O)c2cc(F)ccc2[O-])c(OC)c1OC ZINC000140207160 1293848255 /nfs/dbraw/zinc/84/82/55/1293848255.db2.gz AJUIWYSRJFDGBD-QPJJXVBHSA-N -1 0 332.327 3.453 20 30 EGEDRM CCCCCCCC(=O)[N-]S(=O)(=O)c1ccc(C)c(N(C)C)c1 ZINC000151555232 1293929816 /nfs/dbraw/zinc/92/98/16/1293929816.db2.gz BXEYIMZOFABGHJ-UHFFFAOYSA-N -1 0 340.489 3.226 20 30 EGEDRM COc1ccc2sc(C([O-])=C(C#N)C(=O)NC(C)C)c(C)c2c1 ZINC000173982892 1294475619 /nfs/dbraw/zinc/47/56/19/1294475619.db2.gz VNKHSVUPZUHJJV-ZDUSSCGKSA-N -1 0 330.409 3.065 20 30 EGEDRM CCCN(CC)c1ccc(C([O-])=C(C#N)C(=O)NC2CCCC2)cc1 ZINC000173998974 1294476143 /nfs/dbraw/zinc/47/61/43/1294476143.db2.gz XXWKRBKSFLJUNA-GOSISDBHSA-N -1 0 341.455 3.304 20 30 EGEDRM O=C([N-]CCc1ccc(OC(F)(F)F)cc1)C(F)(F)C(F)F ZINC000176021500 1294585455 /nfs/dbraw/zinc/58/54/55/1294585455.db2.gz OQDZEGYIQBYYRN-UHFFFAOYSA-N -1 0 333.203 3.144 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)c1 ZINC000176399754 1294603547 /nfs/dbraw/zinc/60/35/47/1294603547.db2.gz LAHVFHYBFCEWJK-UHFFFAOYSA-N -1 0 340.339 3.003 20 30 EGEDRM N#CC(C(=O)Nc1ccccn1)=C([O-])c1ccc(Oc2ccccc2)o1 ZINC000176542369 1294614086 /nfs/dbraw/zinc/61/40/86/1294614086.db2.gz USCQSQYCFAQUSF-CQSZACIVSA-N -1 0 347.330 3.428 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)c2cc(F)cc(Br)c2)c1 ZINC000176833259 1294638388 /nfs/dbraw/zinc/63/83/88/1294638388.db2.gz QAIAWNCPRYGFSM-UHFFFAOYSA-N -1 0 335.132 3.418 20 30 EGEDRM C=CCCCC(=O)[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1C ZINC000178970274 1294766417 /nfs/dbraw/zinc/76/64/17/1294766417.db2.gz IAJGJQUGXIBYLY-UHFFFAOYSA-N -1 0 335.347 3.175 20 30 EGEDRM Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1cc(C#N)ccc1[O-] ZINC000179736437 1294820839 /nfs/dbraw/zinc/82/08/39/1294820839.db2.gz WBRNYLYEBLXHGE-UHFFFAOYSA-N -1 0 346.390 3.248 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)Nc2cccnc2Cl)c(Cl)c1 ZINC000182991653 1295090732 /nfs/dbraw/zinc/09/07/32/1295090732.db2.gz QAMVIYOVCSQVQD-UHFFFAOYSA-N -1 0 328.180 3.061 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)c1cc(C)n([C@@H](C)c2ccccc2)c1C ZINC000191251451 1295662355 /nfs/dbraw/zinc/66/23/55/1295662355.db2.gz FPTCWHFCDPHCOZ-HNNXBMFYSA-N -1 0 340.423 3.427 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000191252106 1295662504 /nfs/dbraw/zinc/66/25/04/1295662504.db2.gz QRZYBDCZNBSJOZ-LLVKDONJSA-N -1 0 329.318 3.298 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3 ZINC000191258990 1295662853 /nfs/dbraw/zinc/66/28/53/1295662853.db2.gz SGNXZEAKZHXMMU-GFCCVEGCSA-N -1 0 326.396 3.006 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cnc(-c2ccccc2)s1 ZINC000193381436 1295860721 /nfs/dbraw/zinc/86/07/21/1295860721.db2.gz QYWZNCPYPWONIP-CQSZACIVSA-N -1 0 341.436 3.439 20 30 EGEDRM COc1cccc2c1CC/C(=C/c1cccc(OCC(=O)[O-])c1)C2=O ZINC000194593385 1295991975 /nfs/dbraw/zinc/99/19/75/1295991975.db2.gz XQFORQDGLHMHSV-UVTDQMKNSA-N -1 0 338.359 3.371 20 30 EGEDRM N#Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)c1 ZINC000195439086 1296067980 /nfs/dbraw/zinc/06/79/80/1296067980.db2.gz PLSXGPLUUORPCB-UHFFFAOYSA-N -1 0 328.180 3.061 20 30 EGEDRM COc1ccc(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)cc1CC(=O)[O-] ZINC000207706812 1296096479 /nfs/dbraw/zinc/09/64/79/1296096479.db2.gz FOAGJOKPKJCJFZ-ALCCZGGFSA-N -1 0 341.319 3.127 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])c(/C=N\Cc2cccc3c2OCCCO3)c1 ZINC000255296984 1296515020 /nfs/dbraw/zinc/51/50/20/1296515020.db2.gz MAPKBZCPTCOJGP-WQRHYEAKSA-N -1 0 328.324 3.081 20 30 EGEDRM CC1(C)COCCN1CC/N=C\c1cc(Cl)cc(Cl)c1[O-] ZINC000255918819 1296580398 /nfs/dbraw/zinc/58/03/98/1296580398.db2.gz YHBIVONONDWFEG-NVMNQCDNSA-N -1 0 331.243 3.229 20 30 EGEDRM C=CCC[C@@H](NC(=O)CCc1nc(C)c(-c2ccccc2)o1)C(=O)[O-] ZINC000262875906 1296649825 /nfs/dbraw/zinc/64/98/25/1296649825.db2.gz KCDFPQKCLSKGQU-OAHLLOKOSA-N -1 0 342.395 3.118 20 30 EGEDRM C=CC[C@@H]1CCCN(C(=O)CC2(C(=O)[O-])Cc3ccccc3C2)C1 ZINC000872982837 1297204197 /nfs/dbraw/zinc/20/41/97/1297204197.db2.gz ZTTCRKUOLGTQAV-OAHLLOKOSA-N -1 0 327.424 3.061 20 30 EGEDRM N#Cc1cc(NC(=O)c2c([O-])cccc2F)ccc1Br ZINC000690207010 1298128989 /nfs/dbraw/zinc/12/89/89/1298128989.db2.gz IKWNZWLPXHDVBR-UHFFFAOYSA-N -1 0 335.132 3.418 20 30 EGEDRM C/C(=C\C(=O)Nc1nc(C#N)c(C#N)[n-]1)C12CC3CC(CC(C3)C1)C2 ZINC000746393161 1298579200 /nfs/dbraw/zinc/57/92/00/1298579200.db2.gz MHXPOWXRZLYVBE-BIIKFXOESA-N -1 0 335.411 3.254 20 30 EGEDRM COc1cc(C=Nn2c(=S)[n-]nc2C(F)(F)F)ccc1SC ZINC000746486477 1298594833 /nfs/dbraw/zinc/59/48/33/1298594833.db2.gz BYEPLAHMYKXFKN-UHFFFAOYSA-N -1 0 348.375 3.198 20 30 EGEDRM COc1ccccc1C1(C/N=C\c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000749451012 1299217020 /nfs/dbraw/zinc/21/70/20/1299217020.db2.gz GTBMFSABHGACPP-ODLFYWEKSA-N -1 0 326.352 3.460 20 30 EGEDRM [O-]c1c(F)cc(C=NNc2ccc(Br)nc2)cc1F ZINC000749858979 1299287308 /nfs/dbraw/zinc/28/73/08/1299287308.db2.gz LPBBKLKQAMARRX-UHFFFAOYSA-N -1 0 328.116 3.274 20 30 EGEDRM COc1cccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)n1 ZINC000752173386 1299706506 /nfs/dbraw/zinc/70/65/06/1299706506.db2.gz CBHXKZLZJZNKHL-GFCCVEGCSA-N -1 0 336.376 3.099 20 30 EGEDRM O=C(/C=C\c1ccc([N+](=O)[O-])c([O-])c1)c1cc(F)ccc1[N+](=O)[O-] ZINC000752874989 1299809487 /nfs/dbraw/zinc/80/94/87/1299809487.db2.gz NTQXNZRZYHATSS-KXFIGUGUSA-N -1 0 332.243 3.244 20 30 EGEDRM C[C@@H](Oc1cccc(C=NNCc2cccc(Cl)c2)c1)C(=O)[O-] ZINC000756826776 1300572381 /nfs/dbraw/zinc/57/23/81/1300572381.db2.gz FVXNUIQZUNVWHU-GFCCVEGCSA-N -1 0 332.787 3.316 20 30 EGEDRM C[C@H](Oc1cccc(C=NNCc2cccc(Cl)c2)c1)C(=O)[O-] ZINC000756826778 1300572813 /nfs/dbraw/zinc/57/28/13/1300572813.db2.gz FVXNUIQZUNVWHU-LBPRGKRZSA-N -1 0 332.787 3.316 20 30 EGEDRM O=C(/C=C\c1ccc(-n2cccn2)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000759089030 1301013850 /nfs/dbraw/zinc/01/38/50/1301013850.db2.gz DWRZZLFZSHCXBM-YWEYNIOJSA-N -1 0 335.319 3.382 20 30 EGEDRM COCc1c(C([O-])=C(C#N)c2ccncn2)sc2cccc(F)c21 ZINC000760342124 1301256865 /nfs/dbraw/zinc/25/68/65/1301256865.db2.gz VSAHBNZGOQLECM-JTQLQIEISA-N -1 0 341.367 3.467 20 30 EGEDRM C[C@H](C#N)CSc1ccccc1[N-]C(=S)NCc1ccon1 ZINC000764477503 1302069065 /nfs/dbraw/zinc/06/90/65/1302069065.db2.gz JIHCVXDYIAEZPU-LLVKDONJSA-N -1 0 332.454 3.413 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])c(/C=N\C2CC(OCc3ccccc3)C2)c1 ZINC000766009826 1302368164 /nfs/dbraw/zinc/36/81/64/1302368164.db2.gz ONCRUZFOHUXUTO-ODLFYWEKSA-N -1 0 326.352 3.467 20 30 EGEDRM COC(=O)c1coc(C(=O)/C=C/c2cccc(C(=O)[O-])c2Cl)c1 ZINC000766501859 1302462651 /nfs/dbraw/zinc/46/26/51/1302462651.db2.gz JSTFTJVWEYCCPI-AATRIKPKSA-N -1 0 334.711 3.314 20 30 EGEDRM CC(C)OCCCNC(=O)C(C#N)=C([O-])c1cccc2ccsc21 ZINC000767958837 1302794420 /nfs/dbraw/zinc/79/44/20/1302794420.db2.gz GOZUHDKBAXAKNV-OAHLLOKOSA-N -1 0 344.436 3.155 20 30 EGEDRM Cc1cc(C(C#N)=C([O-])c2csc(-c3ccccn3)n2)nc(C)n1 ZINC000768781533 1302977773 /nfs/dbraw/zinc/97/77/73/1302977773.db2.gz SSCKYBBIBUATBT-GFCCVEGCSA-N -1 0 335.392 3.102 20 30 EGEDRM COc1cc(/C=C/C(=O)c2ccc(CC(=O)[O-])cc2)ccc1[N+](=O)[O-] ZINC000770572912 1303286552 /nfs/dbraw/zinc/28/65/52/1303286552.db2.gz NHLOWBMEEMCJSX-WEVVVXLNSA-N -1 0 341.319 3.127 20 30 EGEDRM CCOCCON=Cc1cccc(OCc2ccccc2C(=O)[O-])c1 ZINC000774439036 1303809168 /nfs/dbraw/zinc/80/91/68/1303809168.db2.gz RZDLQISKALEDEK-UHFFFAOYSA-N -1 0 343.379 3.351 20 30 EGEDRM C#CCOc1ccccc1[N-]S(=O)(=O)c1ccc(OCC)cc1C ZINC000775297919 1303936090 /nfs/dbraw/zinc/93/60/90/1303936090.db2.gz CXLULJMZIIHWNB-UHFFFAOYSA-N -1 0 345.420 3.207 20 30 EGEDRM C#CCOc1ccccc1[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000775298184 1303936345 /nfs/dbraw/zinc/93/63/45/1303936345.db2.gz KTKLAECRLKPSJB-UHFFFAOYSA-N -1 0 339.775 3.292 20 30 EGEDRM C#CCOc1ccccc1[N-]S(=O)(=O)c1cnc2ccsc2c1 ZINC000775296083 1303936515 /nfs/dbraw/zinc/93/65/15/1303936515.db2.gz QZSSSGLJGFSPBX-UHFFFAOYSA-N -1 0 344.417 3.109 20 30 EGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)c1ccn(C(F)F)n1 ZINC000776074573 1304089682 /nfs/dbraw/zinc/08/96/82/1304089682.db2.gz KYIYWEGWDSYAQE-LLVKDONJSA-N -1 0 342.305 3.273 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cc(C)n([C@H](C)C2CC2)n1 ZINC000777299594 1304280093 /nfs/dbraw/zinc/28/00/93/1304280093.db2.gz IMQDCVAAAZMHRG-GDBMZVCRSA-N -1 0 344.459 3.182 20 30 EGEDRM C=CCSc1ccccc1C(=O)[N-]S(=O)(=O)c1ccsc1 ZINC000777335166 1304284469 /nfs/dbraw/zinc/28/44/69/1304284469.db2.gz NAVPGWUJKYEWOM-UHFFFAOYSA-N -1 0 339.463 3.145 20 30 EGEDRM CC(C)[C@H](Cc1ccccc1)NN=Cc1ccccc1OCC(=O)[O-] ZINC000777447598 1304298230 /nfs/dbraw/zinc/29/82/30/1304298230.db2.gz IAWQRISRSPBFHF-SFHVURJKSA-N -1 0 340.423 3.341 20 30 EGEDRM C#CCOc1ccccc1[N-]S(=O)(=O)c1ccccc1SC ZINC000780403407 1304685957 /nfs/dbraw/zinc/68/59/57/1304685957.db2.gz QGZAISHJTSFJGW-UHFFFAOYSA-N -1 0 333.434 3.221 20 30 EGEDRM CC(=O)Nc1ccc(C(=O)/C=C\c2cccc(OCC(=O)[O-])c2)cc1 ZINC000781553088 1304841540 /nfs/dbraw/zinc/84/15/40/1304841540.db2.gz JSPREHHHYANEGN-YHYXMXQVSA-N -1 0 339.347 3.005 20 30 EGEDRM C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1cccc(C)c1F ZINC000781561380 1304843185 /nfs/dbraw/zinc/84/31/85/1304843185.db2.gz OIJBVKSGVSZWRB-UHFFFAOYSA-N -1 0 337.347 3.086 20 30 EGEDRM COC(=O)COc1ccc(/C=C2/CCc3cc(O)ccc3C2=O)cc1 ZINC000782192057 1304928493 /nfs/dbraw/zinc/92/84/93/1304928493.db2.gz VJKGYNYUFHOLNJ-GDNBJRDFSA-N -1 0 338.359 3.157 20 30 EGEDRM O=C([O-])c1csc(/C=C/C(=O)c2ccc3c(c2)CCC(=O)N3)c1 ZINC000782201099 1304930323 /nfs/dbraw/zinc/93/03/23/1304930323.db2.gz PKOLAIFLBHBGFG-HWKANZROSA-N -1 0 327.361 3.227 20 30 EGEDRM CC[C@@H](C)CCCCC(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1 ZINC000784858614 1305287715 /nfs/dbraw/zinc/28/77/15/1305287715.db2.gz INJSYUKWXSYHNC-CQSZACIVSA-N -1 0 336.457 3.111 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2nnc(C3CCCCC3)s2)cc1[O-] ZINC000785540502 1305374410 /nfs/dbraw/zinc/37/44/10/1305374410.db2.gz KOFYOMLCCCEZTF-UHFFFAOYSA-N -1 0 328.397 3.415 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)c(C)o1 ZINC000786538315 1305592548 /nfs/dbraw/zinc/59/25/48/1305592548.db2.gz MYFFXSCVMBXAKO-OAHLLOKOSA-N -1 0 330.771 3.189 20 30 EGEDRM N#CC(C(=O)NCc1ccc(F)cc1F)=C([O-])c1ccc(Cl)cc1 ZINC000786555009 1305596688 /nfs/dbraw/zinc/59/66/88/1305596688.db2.gz QWVXDWKJNJSXOV-AWEZNQCLSA-N -1 0 348.736 3.257 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)C(=O)NCc2ccc(F)c(F)c2)ccc1F ZINC000786570750 1305601469 /nfs/dbraw/zinc/60/14/69/1305601469.db2.gz UCMZMKLFACAQTF-CYBMUJFWSA-N -1 0 346.308 3.051 20 30 EGEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1ccc2c(c1)CCO2)c1ccccc1 ZINC000787035347 1305680203 /nfs/dbraw/zinc/68/02/03/1305680203.db2.gz DNMDUTMDHRAGEY-QZTJIDSGSA-N -1 0 348.402 3.211 20 30 EGEDRM Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C\c1cn3cc(C)ccc3n1)CC2 ZINC000789127354 1306095019 /nfs/dbraw/zinc/09/50/19/1306095019.db2.gz JDJINNIEIXKEMJ-GHXNOFRVSA-N -1 0 336.347 3.455 20 30 EGEDRM COc1ncc(C(=O)/C=C/c2ccc([O-])c([N+](=O)[O-])c2)cc1Cl ZINC000789158865 1306101300 /nfs/dbraw/zinc/10/13/00/1306101300.db2.gz ZFVAIVBRTGMWAP-DUXPYHPUSA-N -1 0 334.715 3.254 20 30 EGEDRM C#Cc1cccc([N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)c1 ZINC000790046211 1306252201 /nfs/dbraw/zinc/25/22/01/1306252201.db2.gz XFNCROSJNBVAPX-UHFFFAOYSA-N -1 0 327.739 3.400 20 30 EGEDRM O=C(/C=C/c1nccn1-c1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000790225686 1306279358 /nfs/dbraw/zinc/27/93/58/1306279358.db2.gz SDXUDXYVEOFTKW-CMDGGOBGSA-N -1 0 335.319 3.382 20 30 EGEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N\Cc2cnc3n2CCCC3)c1[O-] ZINC000790576347 1306354645 /nfs/dbraw/zinc/35/46/45/1306354645.db2.gz XVGQHHJASPWVAF-IDUWFGFVSA-N -1 0 334.763 3.106 20 30 EGEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)C[C@H](C)CC ZINC000791781776 1309063907 /nfs/dbraw/zinc/06/39/07/1309063907.db2.gz DCXCVCIQKCQLIR-ZWNOBZJWSA-N -1 0 332.400 3.136 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2occc2C(C)C)n1 ZINC000792618303 1309198577 /nfs/dbraw/zinc/19/85/77/1309198577.db2.gz ZIBSPPZLONCMDV-LBPRGKRZSA-N -1 0 332.381 3.201 20 30 EGEDRM CCCOc1ccc(Br)cc1C=NN[C@H](CC)C(=O)[O-] ZINC000793070590 1309291033 /nfs/dbraw/zinc/29/10/33/1309291033.db2.gz CRKDKXWMESSOPJ-GFCCVEGCSA-N -1 0 343.221 3.025 20 30 EGEDRM CC[C@H](C)CON=Cc1ccc(OCC(=O)[O-])c(Br)c1 ZINC000793159330 1309307409 /nfs/dbraw/zinc/30/74/09/1309307409.db2.gz NHLSEBIIIZJYEG-JTQLQIEISA-N -1 0 344.205 3.309 20 30 EGEDRM CC(C)OC(=O)CC[C@H](C)/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000794832417 1309604261 /nfs/dbraw/zinc/60/42/61/1309604261.db2.gz IOYYMTXCSRPXIF-JVDJPWEPSA-N -1 0 342.779 3.493 20 30 EGEDRM CCOC(=O)c1scnc1/C=C/C(=O)c1cc(F)cc(F)c1[O-] ZINC000794940907 1309627754 /nfs/dbraw/zinc/62/77/54/1309627754.db2.gz FHPBVOKVUNDUBF-ONEGZZNKSA-N -1 0 339.319 3.200 20 30 EGEDRM COc1cc2c(cc1OC)C(=O)/C(=C\c1ccc([N+](=O)[O-])c([O-])c1)C2 ZINC000794961296 1309633026 /nfs/dbraw/zinc/63/30/26/1309633026.db2.gz MYTNWQQXVPUHFV-XGICHPGQSA-N -1 0 341.319 3.140 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cnc2c(F)cccc2c1 ZINC000796743519 1310078632 /nfs/dbraw/zinc/07/86/32/1310078632.db2.gz XUBQJXACLGTVSK-OAHLLOKOSA-N -1 0 341.386 3.393 20 30 EGEDRM Cc1cc(=O)[nH]c(NN=Cc2ccc(N(C)c3ccccc3)nc2)n1 ZINC000797784572 1310245507 /nfs/dbraw/zinc/24/55/07/1310245507.db2.gz AEKYKTFTKPJRIE-UHFFFAOYSA-N -1 0 334.383 3.100 20 30 EGEDRM C=CC[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccccc1C)c1ccccc1 ZINC000798900198 1310456675 /nfs/dbraw/zinc/45/66/75/1310456675.db2.gz OOECAWPZKQEUJO-GOSISDBHSA-N -1 0 343.448 3.301 20 30 EGEDRM C=CCS(=O)(=O)[N-]C(=O)c1ccccc1Oc1cccc(C)c1 ZINC000799621354 1310588818 /nfs/dbraw/zinc/58/88/18/1310588818.db2.gz IPXXAXLWERNLFZ-UHFFFAOYSA-N -1 0 331.393 3.033 20 30 EGEDRM Cc1[nH]c(C=NNCc2ccc(Cl)cc2Cl)cc1C(=O)[O-] ZINC000800810673 1310809009 /nfs/dbraw/zinc/80/90/09/1310809009.db2.gz XJZNVUPGIZSYFX-UHFFFAOYSA-N -1 0 326.183 3.452 20 30 EGEDRM Cn1cc(-c2ccc(C=NNc3ccc(C(=O)[O-])cc3)s2)cn1 ZINC000800804175 1310809391 /nfs/dbraw/zinc/80/93/91/1310809391.db2.gz TUXWJZUISPHSTP-UHFFFAOYSA-N -1 0 326.381 3.293 20 30 EGEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1cc(C)cc(C)n1)c1ccccc1 ZINC000802219425 1316990515 /nfs/dbraw/zinc/99/05/15/1316990515.db2.gz WJHPFDWNONCVLD-IRXDYDNUSA-N -1 0 335.407 3.288 20 30 EGEDRM Cc1nc(C(C)(C)C)sc1C(=O)/C=C/c1cc(C(=O)[O-])nn1C ZINC000899347959 1316997377 /nfs/dbraw/zinc/99/73/77/1316997377.db2.gz LHJFZEIHJLDMPV-VOTSOKGWSA-N -1 0 333.413 3.077 20 30 EGEDRM C=CC[C@H](C(=O)[N-]S(=O)(=O)c1sccc1C)c1ccccc1 ZINC000802870171 1317051633 /nfs/dbraw/zinc/05/16/33/1317051633.db2.gz FOIFQKHEEUYFPR-AWEZNQCLSA-N -1 0 335.450 3.221 20 30 EGEDRM CC(C)Cc1ccc(S(=O)(=O)[N-]C(=O)CCCCCC#N)cc1 ZINC000805916325 1317437990 /nfs/dbraw/zinc/43/79/90/1317437990.db2.gz GQGRKYURVGYHKD-UHFFFAOYSA-N -1 0 336.457 3.164 20 30 EGEDRM C=CCCc1ccccc1[N-]S(=O)(=O)c1cc(C2CC2)nn1C ZINC000901920021 1317498056 /nfs/dbraw/zinc/49/80/56/1317498056.db2.gz YSJWGFRPAHSVSF-UHFFFAOYSA-N -1 0 331.441 3.217 20 30 EGEDRM Cc1cc(C#N)cc([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)n1 ZINC000903141448 1317662357 /nfs/dbraw/zinc/66/23/57/1317662357.db2.gz SFRRTBAEYKUGGE-UHFFFAOYSA-N -1 0 345.424 3.158 20 30 EGEDRM Cc1cccc([N-]S(=O)(=O)c2cn(C)nc2C2CCCC2)c1C#N ZINC000903619053 1317712951 /nfs/dbraw/zinc/71/29/51/1317712951.db2.gz WCCPNHUNRYNKCK-UHFFFAOYSA-N -1 0 344.440 3.059 20 30 EGEDRM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1ocnc1C1CC1 ZINC000808980364 1317756161 /nfs/dbraw/zinc/75/61/61/1317756161.db2.gz YVFYQSBLLDOEGP-JTQLQIEISA-N -1 0 347.733 3.306 20 30 EGEDRM O=C([O-])c1cc(/C=C2/COc3c(F)cc(F)cc3C2=O)ccc1O ZINC000809155234 1317776302 /nfs/dbraw/zinc/77/63/02/1317776302.db2.gz RQZQQSSCNHOYHM-OQFOIZHKSA-N -1 0 332.258 3.027 20 30 EGEDRM COc1ccc2c(c1F)C/C(=C/c1ccc(OCC(=O)[O-])cc1)C2=O ZINC000809156873 1317776730 /nfs/dbraw/zinc/77/67/30/1317776730.db2.gz OBMABPUZXFXVSV-WQLSENKSSA-N -1 0 342.322 3.120 20 30 EGEDRM O=C([O-])c1cc(/C=C2/COc3c(F)ccc(F)c3C2=O)ccc1O ZINC000809156779 1317776772 /nfs/dbraw/zinc/77/67/72/1317776772.db2.gz FRFNUGBAZWLAPS-UITAMQMPSA-N -1 0 332.258 3.027 20 30 EGEDRM COc1ccc2c(c1F)C/C(=C/c1ccc(O)c(C(=O)[O-])c1)C2=O ZINC000809158479 1317777112 /nfs/dbraw/zinc/77/71/12/1317777112.db2.gz ZESPUMHOEOKMHI-POHAHGRESA-N -1 0 328.295 3.061 20 30 EGEDRM Cc1nn(CC(F)(F)F)cc1C(=O)N(O)Cc1ccccc1Cl ZINC000904191093 1317807237 /nfs/dbraw/zinc/80/72/37/1317807237.db2.gz SUJHDUPAJAVCNQ-UHFFFAOYSA-N -1 0 347.724 3.439 20 30 EGEDRM CC[C@@H](CN1CCOCC1)/N=C\c1cc(Cl)cc(Cl)c1[O-] ZINC000905002747 1317913857 /nfs/dbraw/zinc/91/38/57/1317913857.db2.gz LSMWXQGOPYOSDA-OCTXWABXSA-N -1 0 331.243 3.229 20 30 EGEDRM N#C[C@H]1CCCN(Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000905718645 1317984575 /nfs/dbraw/zinc/98/45/75/1317984575.db2.gz COQGEBAVSKCODL-CQSZACIVSA-N -1 0 336.391 3.064 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000810983711 1318086735 /nfs/dbraw/zinc/08/67/35/1318086735.db2.gz GLHJOUWVYACTFU-UHFFFAOYSA-N -1 0 348.251 3.091 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H](C)Cc2cccc(Cl)c2)CC1 ZINC000810987168 1318087447 /nfs/dbraw/zinc/08/74/47/1318087447.db2.gz AMHLMYKLCVRTDH-LBPRGKRZSA-N -1 0 341.860 3.073 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2ccc(OC(C)(C)C)cc2)CC1 ZINC000810988212 1318087857 /nfs/dbraw/zinc/08/78/57/1318087857.db2.gz MDQSDJKIUFRHCF-UHFFFAOYSA-N -1 0 337.441 3.032 20 30 EGEDRM CC(=NNC[C@@H]1CCSC1)c1cc(Br)cc(F)c1[O-] ZINC000811659719 1318221185 /nfs/dbraw/zinc/22/11/85/1318221185.db2.gz WYNJSDXATYPTFS-VIFPVBQESA-N -1 0 347.253 3.361 20 30 EGEDRM O=C([O-])c1ccc(/C=C/C(=O)c2ccc(Br)nc2)cc1 ZINC000811695656 1318229720 /nfs/dbraw/zinc/22/97/20/1318229720.db2.gz BWLATTHHZYGWLA-XVNBXDOJSA-N -1 0 332.153 3.438 20 30 EGEDRM C=CCC[C@@H](NC(=O)NC[C@H](c1ccccc1)C(F)(F)F)C(=O)[O-] ZINC000909099485 1318436188 /nfs/dbraw/zinc/43/61/88/1318436188.db2.gz JBWVRSMQHIRYPG-CHWSQXEVSA-N -1 0 344.333 3.051 20 30 EGEDRM C=CC(C)(C)CC(=O)NC[C@@H](Cc1ccc(OCC)cc1)C(=O)[O-] ZINC000909169910 1318445260 /nfs/dbraw/zinc/44/52/60/1318445260.db2.gz JDJZMCMRZBGJJY-OAHLLOKOSA-N -1 0 333.428 3.047 20 30 EGEDRM C=C(C)C(C)(C)C(=O)N1CCC(c2nc(C)c(C(=O)[O-])s2)CC1 ZINC000910353442 1318613941 /nfs/dbraw/zinc/61/39/41/1318613941.db2.gz AVSQICHOIUNRNO-UHFFFAOYSA-N -1 0 336.457 3.458 20 30 EGEDRM O=c1[n-][nH]c(=O)n1N=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000814231361 1318707263 /nfs/dbraw/zinc/70/72/63/1318707263.db2.gz UVOJEIFRPSIBAO-UHFFFAOYSA-N -1 0 339.138 3.138 20 30 EGEDRM C=C[C@H](CC(=O)N[C@](C)(CC(=O)[O-])c1ccccn1)c1ccccc1 ZINC000911613067 1318752350 /nfs/dbraw/zinc/75/23/50/1318752350.db2.gz XQVQRGATQMDBCL-FOIQADDNSA-N -1 0 338.407 3.248 20 30 EGEDRM Cc1ccc(C)c(NC(=S)NN=C2CC[C@@H](C(=O)[O-])[C@H](C)C2)c1 ZINC000814707324 1318802455 /nfs/dbraw/zinc/80/24/55/1318802455.db2.gz NYFOTJURPPKMII-TZMCWYRMSA-N -1 0 333.457 3.467 20 30 EGEDRM CCOc1ccc(NC(=S)NN=C2CC[C@H](C(=O)[O-])C[C@H]2C)cc1 ZINC000814717855 1318804770 /nfs/dbraw/zinc/80/47/70/1318804770.db2.gz VFNURRSVCOTBGR-NEPJUHHUSA-N -1 0 349.456 3.249 20 30 EGEDRM Cc1cc(C)c(C(=O)[O-])cc1C=NN1C(=S)N=NC1C(C)(C)C ZINC000814728680 1318806965 /nfs/dbraw/zinc/80/69/65/1318806965.db2.gz GFVMMYFMHSCBOP-UHFFFAOYSA-N -1 0 332.429 3.062 20 30 EGEDRM C[C@@H]1CC(=NNC(=S)N[C@@H]2CCC[C@H](C)[C@H]2C)CC[C@@H]1C(=O)[O-] ZINC000814758722 1318810852 /nfs/dbraw/zinc/81/08/52/1318810852.db2.gz GFFZZAXPSWOAPI-SIJPQNPESA-N -1 0 339.505 3.152 20 30 EGEDRM O=C([O-])c1cccc(CN=Nc2ncnc3sccc32)c1Cl ZINC000814767822 1318812017 /nfs/dbraw/zinc/81/20/17/1318812017.db2.gz WNIMTNVXMXTYKE-UHFFFAOYSA-N -1 0 332.772 3.489 20 30 EGEDRM CSc1ccc(C=Nn2c(=O)c3ccccc3[n-]c2=S)s1 ZINC000814780947 1318815325 /nfs/dbraw/zinc/81/53/25/1318815325.db2.gz OKRZSKGWZZXFNT-UHFFFAOYSA-N -1 0 333.463 3.351 20 30 EGEDRM C[C@@H]1C(=NNc2nc(=O)c3ccccc3[nH]2)CC[C@H](C(=O)[O-])C1(C)C ZINC000814868859 1318834178 /nfs/dbraw/zinc/83/41/78/1318834178.db2.gz LIBONQQADJRVER-ZYHUDNBSSA-N -1 0 342.399 3.260 20 30 EGEDRM CC(CCc1ccc(O[C@H](C)C(=O)[O-])cc1)=NO[C@@H]1CCCCO1 ZINC000814886872 1318839641 /nfs/dbraw/zinc/83/96/41/1318839641.db2.gz FYIPWISJZJEQKN-RHSMWYFYSA-N -1 0 335.400 3.390 20 30 EGEDRM N#Cc1cc(Cl)nc(N=NC2CCCc3cc(C(=O)[O-])ccc32)c1 ZINC000814891479 1318841237 /nfs/dbraw/zinc/84/12/37/1318841237.db2.gz WLZXOJXAAIVGPO-UHFFFAOYSA-N -1 0 340.770 3.457 20 30 EGEDRM C[C@H](CCc1ccc2c(c1)OCO2)NN=C1CC[C@H](C(=O)[O-])C[C@H]1C ZINC000814924274 1318850402 /nfs/dbraw/zinc/85/04/02/1318850402.db2.gz JBBBLSNAVMQMLE-NFAWXSAZSA-N -1 0 346.427 3.203 20 30 EGEDRM C[C@H]1C(=NNCc2ccccc2N(C)C)CC[C@@H](C(=O)[O-])C1(C)C ZINC000814926190 1318851569 /nfs/dbraw/zinc/85/15/69/1318851569.db2.gz SQQBZPJVVGKALI-ZFWWWQNUSA-N -1 0 331.460 3.355 20 30 EGEDRM N#C[C@H]([N-]C(=O)[C@H](F)C(F)(F)F)c1ccc(OC(F)(F)F)cc1 ZINC000815538070 1319012300 /nfs/dbraw/zinc/01/23/00/1319012300.db2.gz SMBYIDRYIMBVKK-IUCAKERBSA-N -1 0 344.186 3.166 20 30 EGEDRM N#C[C@@H]([N-]C(=O)[C@H](F)C(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC000815544307 1319013021 /nfs/dbraw/zinc/01/30/21/1319013021.db2.gz QKLAROBKAGGKKO-BDAKNGLRSA-N -1 0 328.187 3.287 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc2c(c1)CCCC2=O ZINC000815904336 1319070058 /nfs/dbraw/zinc/07/00/58/1319070058.db2.gz BZYVIRAKLWJPBX-QGZVFWFLSA-N -1 0 340.423 3.225 20 30 EGEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1ncoc1C1CC1)c1ccccc1 ZINC000816038917 1319092397 /nfs/dbraw/zinc/09/23/97/1319092397.db2.gz KCEOZNYIEMYBLL-LSDHHAIUSA-N -1 0 337.379 3.142 20 30 EGEDRM C=CCC1(NC(=O)CSc2n[n-]c(=S)s2)CCCCC1 ZINC000836957897 1320558983 /nfs/dbraw/zinc/55/89/83/1320558983.db2.gz ZMHWTZHXJIHKRW-UHFFFAOYSA-N -1 0 329.516 3.314 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)NC1CCC(c2ccc(F)cc2)CC1 ZINC000837300344 1320594799 /nfs/dbraw/zinc/59/47/99/1320594799.db2.gz TWOHDFJAJTWSGX-UHFFFAOYSA-N -1 0 334.391 3.134 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc2c(c1)CC(C)(C)O2 ZINC000842684116 1321418329 /nfs/dbraw/zinc/41/83/29/1321418329.db2.gz XLFRJCLEUACPRP-HNNXBMFYSA-N -1 0 328.412 3.029 20 30 EGEDRM CC1(C)Cc2cc(C([O-])=C(C#N)C(=O)NCc3ccccc3)ccc2O1 ZINC000842685229 1321418754 /nfs/dbraw/zinc/41/87/54/1321418754.db2.gz SYVNHNQGBCVXHT-KRWDZBQOSA-N -1 0 348.402 3.039 20 30 EGEDRM COc1ccc(C(=O)/C=C\c2ccnn2CC(C)C)cc1CC(=O)[O-] ZINC000843269076 1321496489 /nfs/dbraw/zinc/49/64/89/1321496489.db2.gz MRQXEYLMMRFPKS-WAYWQWQTSA-N -1 0 342.395 3.071 20 30 EGEDRM C[C@H](NCc1ccc(N(C)CCC#N)cc1)c1ncc(C(=O)[O-])s1 ZINC000843305901 1321500205 /nfs/dbraw/zinc/50/02/05/1321500205.db2.gz IRSHYVFXQJFQNI-LBPRGKRZSA-N -1 0 344.440 3.042 20 30 EGEDRM Cc1c(N=NC(C)[C@@H](C)NC(=O)OC(C)(C)C)cccc1C(=O)[O-] ZINC000844623658 1321626156 /nfs/dbraw/zinc/62/61/56/1321626156.db2.gz PNDMJIPNCHSFKF-LLVKDONJSA-N -1 0 335.404 3.394 20 30 EGEDRM Cc1c(N=NC2CC[C@H](C)C[C@@H]2n2cncn2)cccc1C(=O)[O-] ZINC000844622865 1321626492 /nfs/dbraw/zinc/62/64/92/1321626492.db2.gz IQORQMIXZCSMEF-ZBEGNZNMSA-N -1 0 327.388 3.114 20 30 EGEDRM Cc1c(N=NCC[C@@H]2CCCCC23OCCO3)cccc1C(=O)[O-] ZINC000844625262 1321627175 /nfs/dbraw/zinc/62/71/75/1321627175.db2.gz XSIHQTURHGYNIF-AWEZNQCLSA-N -1 0 332.400 3.414 20 30 EGEDRM C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccc2c(c1)C(C)(C)CC2(C)C ZINC000846153532 1321771858 /nfs/dbraw/zinc/77/18/58/1321771858.db2.gz JFYLJJUZEWLHJD-LBPRGKRZSA-N -1 0 330.428 3.206 20 30 EGEDRM C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccc(S[C@@H](C)CC)cc1C ZINC000846156101 1321772843 /nfs/dbraw/zinc/77/28/43/1321772843.db2.gz SPIMMJHIJRRJLV-STQMWFEESA-N -1 0 336.457 3.446 20 30 EGEDRM C=C(C)CO[N-]C(=O)C1(c2cc(Br)ccc2OC)CC1 ZINC000846533520 1321791163 /nfs/dbraw/zinc/79/11/63/1321791163.db2.gz AUJVTZHQFXDBBL-UHFFFAOYSA-N -1 0 340.217 3.113 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)Nc1ccc(OCCC(C)C)c(F)c1 ZINC000846768081 1321806608 /nfs/dbraw/zinc/80/66/08/1321806608.db2.gz AVMBHFXQUPXQFO-UHFFFAOYSA-N -1 0 338.379 3.355 20 30 EGEDRM CC(C)OCCCNC(=O)C(C#N)=C([O-])c1cccc(C(C)(C)C)c1 ZINC000847622345 1321884867 /nfs/dbraw/zinc/88/48/67/1321884867.db2.gz IJIZBYDDPMSWRZ-QGZVFWFLSA-N -1 0 344.455 3.238 20 30 EGEDRM COc1cc2c(cc1OC)C(=NNc1ccc(CC(=O)[O-])cc1)CC2 ZINC000848414089 1321957781 /nfs/dbraw/zinc/95/77/81/1321957781.db2.gz JACKIYDHOZKLSR-UHFFFAOYSA-N -1 0 340.379 3.093 20 30 EGEDRM O=C([O-])Cc1ccc(N=NCC[C@@H]2CCCCC23OCCO3)cc1 ZINC000848415138 1321958556 /nfs/dbraw/zinc/95/85/56/1321958556.db2.gz XHPHPBMWTANHIQ-HNNXBMFYSA-N -1 0 332.400 3.035 20 30 EGEDRM C[C@H](Oc1cccc(C(=O)/C=C/c2ccnn2CC2CC2)c1)C(=O)[O-] ZINC000849245129 1322100627 /nfs/dbraw/zinc/10/06/27/1322100627.db2.gz DRQUATDXMHASOG-GWJCSSMESA-N -1 0 340.379 3.041 20 30 EGEDRM N#CC1(CC(=O)[N-]S(=O)(=O)c2cccc(Cl)c2)CCCCC1 ZINC000850733077 1322280183 /nfs/dbraw/zinc/28/01/83/1322280183.db2.gz IXRATIGNZQIUSW-UHFFFAOYSA-N -1 0 340.832 3.009 20 30 EGEDRM C=CC[N@H+](Cc1cc(=O)oc2cc([O-])c(Cl)cc12)[C@H](C)COC ZINC000852356746 1323182572 /nfs/dbraw/zinc/18/25/72/1323182572.db2.gz NCKXFNWDDXLCRQ-LLVKDONJSA-N -1 0 337.803 3.175 20 30 EGEDRM C=CCCO[N-]C(=O)[C@@H](C)Oc1ccc(C)cc1Br ZINC000856030305 1325441056 /nfs/dbraw/zinc/44/10/56/1325441056.db2.gz BZMPQYUDJYJGBJ-LLVKDONJSA-N -1 0 328.206 3.149 20 30 EGEDRM N#Cc1cccc(C(=O)Nc2cc(F)cc(Br)c2)c1[O-] ZINC001193647132 1368083340 /nfs/dbraw/zinc/08/33/40/1368083340.db2.gz WJMRNRGHTMDLFS-UHFFFAOYSA-N -1 0 335.132 3.418 20 30 EGEDRM O=C(/C=C\c1cn(C[C@@H]2CCCO2)nn1)c1ccc2ccccc2c1[O-] ZINC000865221415 1329677153 /nfs/dbraw/zinc/67/71/53/1329677153.db2.gz YAWQTLRJNQSKSM-YHWKNFMLSA-N -1 0 349.390 3.212 20 30 EGEDRM COc1ccccc1CC(C)(C)NC(=O)CCC(=O)C1=CC=C[CH]1 ZINC001184247223 1387419401 /nfs/dbraw/zinc/41/94/01/1387419401.db2.gz JVDZJTIKIGMJQO-UHFFFAOYSA-N -1 0 326.416 3.182 20 30 EGEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)c1ccc(Cl)c(C)c1 ZINC001185524802 1387738221 /nfs/dbraw/zinc/73/82/21/1387738221.db2.gz LMDMZKMQNRZPKT-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM N#Cc1cc(F)cc(F)c1[N-]S(=O)(=O)Cc1cccc(F)c1F ZINC001189455204 1367027276 /nfs/dbraw/zinc/02/72/76/1367027276.db2.gz CHBYCBBJHZNGNC-UHFFFAOYSA-N -1 0 344.289 3.057 20 30 EGEDRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)cc2C#N)c1 ZINC001189605976 1367065858 /nfs/dbraw/zinc/06/58/58/1367065858.db2.gz NXFZZEOSGYHNTK-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM N#Cc1cc(F)cc(F)c1[N-]S(=O)(=O)c1cc(F)cc(F)c1F ZINC001190392341 1367250346 /nfs/dbraw/zinc/25/03/46/1367250346.db2.gz QELSCBGVKYBPAC-UHFFFAOYSA-N -1 0 348.252 3.055 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cnc(Cl)c(Cl)c2)c1 ZINC001190616585 1367310281 /nfs/dbraw/zinc/31/02/81/1367310281.db2.gz YJYKQJAQLSPIIF-UHFFFAOYSA-N -1 0 346.170 3.200 20 30 EGEDRM CCOc1ccc(F)cc1[N-]S(=O)(=O)c1cc(C#N)ccc1F ZINC001190648084 1367315145 /nfs/dbraw/zinc/31/51/45/1367315145.db2.gz SIDKWSNNNUCBIN-UHFFFAOYSA-N -1 0 338.335 3.036 20 30 EGEDRM Cc1nc2ccc([N-]S(=O)(=O)c3cc(C#N)ccc3F)cc2s1 ZINC001190648725 1367316576 /nfs/dbraw/zinc/31/65/76/1367316576.db2.gz YKFLENIKBCKXJD-UHFFFAOYSA-N -1 0 347.396 3.416 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2ccccc2OCC2CC2)c1 ZINC001190658482 1367321067 /nfs/dbraw/zinc/32/10/67/1367321067.db2.gz XMWRNUQUJVNWBP-UHFFFAOYSA-N -1 0 346.383 3.287 20 30 EGEDRM Cc1cc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)cc(Cl)n1 ZINC001190939083 1367387202 /nfs/dbraw/zinc/38/72/02/1367387202.db2.gz NZDSSQJNTIWBAV-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ncccc2C2CC2)c1 ZINC001190943018 1367387482 /nfs/dbraw/zinc/38/74/82/1367387482.db2.gz QURUTNNGWIIHOK-UHFFFAOYSA-N -1 0 333.800 3.285 20 30 EGEDRM C#CCOc1ccc([N-]S(=O)(=O)c2cc(C)ccc2OCC)cc1 ZINC001191828290 1367604402 /nfs/dbraw/zinc/60/44/02/1367604402.db2.gz LCDHFXUFPYAVOK-UHFFFAOYSA-N -1 0 345.420 3.207 20 30 EGEDRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(C#N)c(C)c1 ZINC001191828169 1367604477 /nfs/dbraw/zinc/60/44/77/1367604477.db2.gz KEJGOMMDOADGFA-UHFFFAOYSA-N -1 0 330.409 3.375 20 30 EGEDRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1c(C)cccc1C#N ZINC001191829186 1367605238 /nfs/dbraw/zinc/60/52/38/1367605238.db2.gz VRMWAJYIRMLSIR-UHFFFAOYSA-N -1 0 330.409 3.375 20 30 EGEDRM C=CC[C@@H](NC(=O)NCC(C)(C)c1ccc(F)cc1Cl)C(=O)[O-] ZINC001325062699 1387893548 /nfs/dbraw/zinc/89/35/48/1387893548.db2.gz CKSVTHZUGIMBER-CYBMUJFWSA-N -1 0 342.798 3.085 20 30 EGEDRM COC(=O)c1ccc([O-])c(C(=O)Nc2c(F)cc(C#N)cc2Cl)c1 ZINC001192394181 1367771758 /nfs/dbraw/zinc/77/17/58/1367771758.db2.gz DWWCIIWTKIAFQV-UHFFFAOYSA-N -1 0 348.717 3.095 20 30 EGEDRM N#CCS(=O)(=O)[N-]c1cc(Cl)c(Br)cc1Cl ZINC001192985980 1367916875 /nfs/dbraw/zinc/91/68/75/1367916875.db2.gz RUYFTZYNMLTHRN-UHFFFAOYSA-N -1 0 344.017 3.021 20 30 EGEDRM C[C@H](C#N)S(=O)(=O)[N-]c1ccccc1C(=O)c1ccc(Cl)cc1 ZINC001193149475 1367953788 /nfs/dbraw/zinc/95/37/88/1367953788.db2.gz OUJJWPVFFABGOZ-LLVKDONJSA-N -1 0 348.811 3.225 20 30 EGEDRM C[C@H](C#N)S(=O)(=O)[N-]c1cc(OCc2ccccc2)ccc1F ZINC001193157119 1367956380 /nfs/dbraw/zinc/95/63/80/1367956380.db2.gz AWOPJXBSQCHHAE-GFCCVEGCSA-N -1 0 334.372 3.058 20 30 EGEDRM COCCCOc1ccc(F)cc1NC(=O)c1ccc([O-])c(C#N)c1 ZINC001193505634 1368048332 /nfs/dbraw/zinc/04/83/32/1368048332.db2.gz LBOKCCZKWZKTTE-UHFFFAOYSA-N -1 0 344.342 3.071 20 30 EGEDRM CC(C)(C)n1cc(C#N)cc1NC(=O)c1cc(O)c([O-])c(Cl)c1 ZINC001193589104 1368067553 /nfs/dbraw/zinc/06/75/53/1368067553.db2.gz CZGHHDJWJSOACC-UHFFFAOYSA-N -1 0 333.775 3.432 20 30 EGEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2ccccc2C(F)F)c1 ZINC001193680123 1368092914 /nfs/dbraw/zinc/09/29/14/1368092914.db2.gz WPPZGHJJLTXUJR-UHFFFAOYSA-N -1 0 338.335 3.305 20 30 EGEDRM Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)cc1C#N ZINC001194301840 1368226770 /nfs/dbraw/zinc/22/67/70/1368226770.db2.gz HMKSOGQOIIJMRK-UHFFFAOYSA-N -1 0 341.314 3.081 20 30 EGEDRM COc1cc(C)c(S(=O)(=O)[N-]c2occ(C)c2C#N)c(C)c1C ZINC001194842857 1368333543 /nfs/dbraw/zinc/33/35/43/1368333543.db2.gz CFXGGBSXPWHLRR-UHFFFAOYSA-N -1 0 334.397 3.194 20 30 EGEDRM CCOC(=O)Nc1ccc(NC(=O)c2ccc(C#N)cc2[O-])cc1 ZINC001195758241 1368483564 /nfs/dbraw/zinc/48/35/64/1368483564.db2.gz LOAMLFQFIZBVHH-UHFFFAOYSA-N -1 0 325.324 3.085 20 30 EGEDRM N#Cc1c(F)c(Cl)ccc1[N-]S(=O)(=O)c1ccc(Cl)cn1 ZINC001196246503 1368576088 /nfs/dbraw/zinc/57/60/88/1368576088.db2.gz PSVMXTGFPLOCGO-UHFFFAOYSA-N -1 0 346.170 3.200 20 30 EGEDRM COc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)c(C)c1 ZINC001196639679 1368654406 /nfs/dbraw/zinc/65/44/06/1368654406.db2.gz OJGUCJFQVRKZPB-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM COc1cc(C)cc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)c1 ZINC001196680356 1368660719 /nfs/dbraw/zinc/66/07/19/1368660719.db2.gz JNVCYXMWELAMKE-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)cc1F ZINC001196680050 1368660817 /nfs/dbraw/zinc/66/08/17/1368660817.db2.gz VEEORSOPMZLQHL-UHFFFAOYSA-N -1 0 335.747 3.023 20 30 EGEDRM C=CCN(C(=O)c1sccc1[N-]S(C)(=O)=O)C1CCCCC1 ZINC001196733497 1368672681 /nfs/dbraw/zinc/67/26/81/1368672681.db2.gz WUZBQEOWNBHTNP-UHFFFAOYSA-N -1 0 342.486 3.081 20 30 EGEDRM COc1cc(C)c(S(=O)(=O)[N-]c2oc(C)c(C)c2C#N)c(C)c1 ZINC001196849365 1368697708 /nfs/dbraw/zinc/69/77/08/1368697708.db2.gz XBLANWNIUWZZLA-UHFFFAOYSA-N -1 0 334.397 3.194 20 30 EGEDRM N#Cc1ccc(NC(=S)Nc2ccc(C(=O)[O-])cc2)c(F)c1F ZINC001197111769 1368746774 /nfs/dbraw/zinc/74/67/74/1368746774.db2.gz BMURULPWPCFVPK-UHFFFAOYSA-N -1 0 333.319 3.344 20 30 EGEDRM Cc1ccnc(S(=O)(=O)[N-]c2cc(C#N)cc(C(F)(F)F)c2)c1 ZINC001198004468 1368939808 /nfs/dbraw/zinc/93/98/08/1368939808.db2.gz IJLUQTOAYUZPMZ-UHFFFAOYSA-N -1 0 341.314 3.081 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2csc3cnccc23)cc1C#N ZINC001201295203 1369512935 /nfs/dbraw/zinc/51/29/35/1369512935.db2.gz OCYZUXOTBOVFLI-UHFFFAOYSA-N -1 0 329.406 3.277 20 30 EGEDRM N#Cc1cc(Nc2ccc(OCC(F)(F)F)nc2)c([O-])cc1F ZINC001203689530 1370220712 /nfs/dbraw/zinc/22/07/12/1370220712.db2.gz ZXQYYLIPHAILSL-UHFFFAOYSA-N -1 0 327.237 3.483 20 30 EGEDRM COc1cccc(C#N)c1[N-]S(=O)(=O)c1cc2c(s1)CCCC2 ZINC001187210080 1388072074 /nfs/dbraw/zinc/07/20/74/1388072074.db2.gz QNXYAEXHVSCOTQ-UHFFFAOYSA-N -1 0 348.449 3.308 20 30 EGEDRM CC(C)(C)OC(=O)[C@H](C#N)c1cccc(-c2ccsc2C(=O)[O-])n1 ZINC001205547280 1370787896 /nfs/dbraw/zinc/78/78/96/1370787896.db2.gz HOTAYXMCRKNFHL-LLVKDONJSA-N -1 0 344.392 3.457 20 30 EGEDRM N#Cc1ccccc1CN1CC[C@H](OCc2ccc(C(=O)[O-])cc2)C1 ZINC001205680742 1370841150 /nfs/dbraw/zinc/84/11/50/1370841150.db2.gz KGGLHGUAZPORLJ-IBGZPJMESA-N -1 0 336.391 3.048 20 30 EGEDRM N#CCOc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2F)cc1 ZINC001117078629 1371010388 /nfs/dbraw/zinc/01/03/88/1371010388.db2.gz JBKQJEHHIAXYFD-UHFFFAOYSA-N -1 0 340.763 3.182 20 30 EGEDRM COc1ccc(Nc2ncc(C#N)cc2Br)cc1C(=O)[O-] ZINC001209897146 1372226846 /nfs/dbraw/zinc/22/68/46/1372226846.db2.gz SYKCEKMNBOZUMM-UHFFFAOYSA-N -1 0 348.156 3.166 20 30 EGEDRM CC1(C)CC(=O)C=C(Nc2ccc(S(=O)(=O)[O-])cc2Cl)C1 ZINC001210156121 1372284393 /nfs/dbraw/zinc/28/43/93/1372284393.db2.gz MJCSAXUTHXXSJE-UHFFFAOYSA-N -1 0 329.805 3.272 20 30 EGEDRM Cc1csc([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)c1C#N ZINC001187925212 1388191762 /nfs/dbraw/zinc/19/17/62/1388191762.db2.gz IFHLTTXVTXWSJR-UHFFFAOYSA-N -1 0 348.236 3.431 20 30 EGEDRM CCn1cc(C([O-])=C(C#N)c2nccn2CC)c(-c2ccccc2)n1 ZINC001123337648 1372431344 /nfs/dbraw/zinc/43/13/44/1372431344.db2.gz SDPUPIOZJWMZEY-OAHLLOKOSA-N -1 0 333.395 3.276 20 30 EGEDRM CCc1cc(C([O-])=C(C#N)c2nc3c(cccc3Cl)[nH]2)nn1C ZINC001123344639 1372434974 /nfs/dbraw/zinc/43/49/74/1372434974.db2.gz BLSYFDAIECTXAN-JTQLQIEISA-N -1 0 327.775 3.002 20 30 EGEDRM CCCCCCCCS(=O)(=O)[N-]c1ncccc1C(=O)OCC ZINC001187993168 1388207676 /nfs/dbraw/zinc/20/76/76/1388207676.db2.gz LPIXVXWPVMCDSP-UHFFFAOYSA-N -1 0 342.461 3.361 20 30 EGEDRM Cc1ccc(Nc2ccc(C#N)nc2Br)cc1C(=O)[O-] ZINC001211594305 1372587739 /nfs/dbraw/zinc/58/77/39/1372587739.db2.gz RLACFPYPZXCDOO-UHFFFAOYSA-N -1 0 332.157 3.466 20 30 EGEDRM COC(=O)c1cc(C#N)cc(Nc2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC001211969419 1372642428 /nfs/dbraw/zinc/64/24/28/1372642428.db2.gz IIQQPXBMWONTFK-UHFFFAOYSA-N -1 0 330.727 3.440 20 30 EGEDRM CCCCCCCCS(=O)(=O)[N-]c1ccc(F)cc1C(N)=O ZINC001188012870 1388214740 /nfs/dbraw/zinc/21/47/40/1388214740.db2.gz HGTNYJCYQXROHZ-UHFFFAOYSA-N -1 0 330.425 3.027 20 30 EGEDRM N#Cc1cc(F)c(F)cc1Nc1ccc(NC(=O)CCC(=O)[O-])cc1 ZINC001213194881 1372857302 /nfs/dbraw/zinc/85/73/02/1372857302.db2.gz XDZVSRGDSMYGJG-UHFFFAOYSA-N -1 0 345.305 3.383 20 30 EGEDRM N#Cc1c(F)ccc(F)c1Nc1ccc(NC(=O)CCC(=O)[O-])cc1 ZINC001213196200 1372857697 /nfs/dbraw/zinc/85/76/97/1372857697.db2.gz CSCMMDLFAVSHIH-UHFFFAOYSA-N -1 0 345.305 3.383 20 30 EGEDRM COc1ccc(Nc2cccc(C3(C#N)CC3)c2)c(S(=O)(=O)[O-])c1 ZINC001213325500 1372885470 /nfs/dbraw/zinc/88/54/70/1372885470.db2.gz RJGWILUYLWLJDT-UHFFFAOYSA-N -1 0 344.392 3.241 20 30 EGEDRM N#Cc1cc(Nc2ccc(S(=O)(=O)[O-])c3ccccc23)ccc1N ZINC001213438872 1372906832 /nfs/dbraw/zinc/90/68/32/1372906832.db2.gz BIKGQVZUMCKGNW-UHFFFAOYSA-N -1 0 339.376 3.284 20 30 EGEDRM Cc1cccc(C#N)c1[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC001188071120 1388235560 /nfs/dbraw/zinc/23/55/60/1388235560.db2.gz LXMUCHOCAFDYOW-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM Cc1c(N=NC[C@H](C)CNC(=O)OC(C)(C)C)cccc1C(=O)[O-] ZINC001326715878 1388289240 /nfs/dbraw/zinc/28/92/40/1388289240.db2.gz ONBSSNVXBBOHMF-LLVKDONJSA-N -1 0 335.404 3.252 20 30 EGEDRM CCOC(=O)c1cccc(NC(=O)Nc2cc(C#N)c(F)cc2[O-])c1 ZINC001188672766 1388357590 /nfs/dbraw/zinc/35/75/90/1388357590.db2.gz PXOMYINYTVUEFM-UHFFFAOYSA-N -1 0 343.314 3.224 20 30 EGEDRM CCCCCCCCCCCC[C@H](C)Oc1c([O-])c(=O)c(=O)c1=O ZINC001225830346 1375162089 /nfs/dbraw/zinc/16/20/89/1375162089.db2.gz HZCGWMBKHBLXQD-AWEZNQCLSA-N -1 0 338.444 3.427 20 30 EGEDRM C=C[C@@]1(C)CC[C@H](Oc2nc(C(F)(F)F)cc(=O)[n-]2)C(C)(C)O1 ZINC001225977094 1375182987 /nfs/dbraw/zinc/18/29/87/1375182987.db2.gz FSVQSMIMRGNGFV-HZMBPMFUSA-N -1 0 332.322 3.482 20 30 EGEDRM C=C(C)[C@@H]1CC[C@H](C)C[C@H]1Oc1ccc(O)cc1S(=O)(=O)[O-] ZINC001226413481 1375256340 /nfs/dbraw/zinc/25/63/40/1375256340.db2.gz QVQIIXOJRGTSRA-CORIIIEPSA-N -1 0 326.414 3.399 20 30 EGEDRM C=CCC(CC=C)Oc1c([O-])c(C(=O)OCC)oc1C(=O)OCC ZINC001227641132 1375458618 /nfs/dbraw/zinc/45/86/18/1375458618.db2.gz PYCISQNDYSDGDV-UHFFFAOYSA-N -1 0 338.356 3.238 20 30 EGEDRM COC(=O)c1cc([N+](=O)[O-])c(O[C@@H](CC#N)c2ccccc2)cc1[O-] ZINC001228815126 1375686241 /nfs/dbraw/zinc/68/62/41/1375686241.db2.gz RQDUZDMGHMOGDY-HNNXBMFYSA-N -1 0 342.307 3.121 20 30 EGEDRM N#Cc1ccc(=O)[n-]c1O[C@H]1CCc2ccc(Br)cc21 ZINC001228902586 1375710024 /nfs/dbraw/zinc/71/00/24/1375710024.db2.gz SDJUTQQLZDTYGV-ZDUSSCGKSA-N -1 0 331.169 3.488 20 30 EGEDRM CC(C)(C)OC(=O)N1CC[C@@H](Oc2[n-]c(=O)ccc2C#N)CC1(C)C ZINC001228904994 1375711550 /nfs/dbraw/zinc/71/15/50/1375711550.db2.gz DVHBPBGCISDWQQ-CYBMUJFWSA-N -1 0 347.415 3.216 20 30 EGEDRM CC[C@H](Oc1[n-]c(=O)ccc1C#N)c1cc(OC)c(OC)c(OC)c1 ZINC001228904784 1375711630 /nfs/dbraw/zinc/71/16/30/1375711630.db2.gz BDRQAZCKXFXPJZ-ZDUSSCGKSA-N -1 0 344.367 3.215 20 30 EGEDRM CCOc1cccc(OCC)c1C(=O)Nc1cc(C#N)c(F)cc1[O-] ZINC001188878995 1388398688 /nfs/dbraw/zinc/39/86/88/1388398688.db2.gz NRHHGKDDUCNVFV-UHFFFAOYSA-N -1 0 344.342 3.453 20 30 EGEDRM C[C@@H](C#C[Si](C)(C)C)Oc1ccc(C[C@@H]2SC(=O)[N-]C2=O)cc1 ZINC001229624324 1375867785 /nfs/dbraw/zinc/86/77/85/1375867785.db2.gz MRGSFPSOJVHYEN-WFASDCNBSA-N -1 0 347.512 3.229 20 30 EGEDRM C#C[C@H](Oc1ccc(C[C@@H]2SC(=O)[N-]C2=O)cc1)c1ccccc1 ZINC001229627016 1375868863 /nfs/dbraw/zinc/86/88/63/1375868863.db2.gz VINQCGYOKOKZIT-IRXDYDNUSA-N -1 0 337.400 3.334 20 30 EGEDRM C[C@H](Oc1cc([O-])c([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1C#N ZINC001231222870 1376214296 /nfs/dbraw/zinc/21/42/96/1376214296.db2.gz CAYOADYFKUVAAV-VIFPVBQESA-N -1 0 329.268 3.220 20 30 EGEDRM N#Cc1ccsc1[N-]S(=O)(=O)CCc1ccc(Cl)cc1 ZINC001189066654 1388450963 /nfs/dbraw/zinc/45/09/63/1388450963.db2.gz FMQHAQBCEJUVQZ-UHFFFAOYSA-N -1 0 326.830 3.258 20 30 EGEDRM C#C[C@@H](CC(C)C)Oc1cc(O)cc([O-])c1C(=O)c1cccc(O)c1 ZINC001234162904 1376782174 /nfs/dbraw/zinc/78/21/74/1376782174.db2.gz SIWSYINEICJUGP-INIZCTEOSA-N -1 0 340.375 3.461 20 30 EGEDRM Cc1ccc(C(=O)[O-])cc1-c1nc2ccccc2nc1NC(=O)CC#N ZINC001241000068 1377019145 /nfs/dbraw/zinc/01/91/45/1377019145.db2.gz CVVONVFCMPRMDO-UHFFFAOYSA-N -1 0 346.346 3.156 20 30 EGEDRM C=CCc1ccnc(-c2cc(OC)cc(C(=O)[O-])c2)c1C(OC)OC ZINC001244176177 1377035313 /nfs/dbraw/zinc/03/53/13/1377035313.db2.gz SWRKQBQVUQQVCW-UHFFFAOYSA-N -1 0 343.379 3.475 20 30 EGEDRM C=C[C@H]1C[C@]1(NC(=S)[N-]c1ccccc1SC)C(=O)OCC ZINC001249713875 1377077883 /nfs/dbraw/zinc/07/78/83/1377077883.db2.gz ZZFFSEWOQSAORT-MEDUHNTESA-N -1 0 336.482 3.203 20 30 EGEDRM C#CC(CC)(CC)NS(=O)(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001251384598 1377085489 /nfs/dbraw/zinc/08/54/89/1377085489.db2.gz YXEKICODJJJLCI-UHFFFAOYSA-N -1 0 336.240 3.169 20 30 EGEDRM N#Cc1cc(NC(=O)c2cc(-c3cccs3)on2)c([O-])cc1F ZINC001189192428 1388480415 /nfs/dbraw/zinc/48/04/15/1388480415.db2.gz QWQOOMBISTZNGK-UHFFFAOYSA-N -1 0 329.312 3.372 20 30 EGEDRM C=CCC(F)(F)C(=O)N(CCC)Cc1nc(=O)c2sccc2[n-]1 ZINC001327801175 1388597619 /nfs/dbraw/zinc/59/76/19/1388597619.db2.gz URWDBIZFSGVVDN-UHFFFAOYSA-N -1 0 341.383 3.347 20 30 EGEDRM N#Cc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])c(C#N)c1 ZINC001148799415 1379270176 /nfs/dbraw/zinc/27/01/76/1379270176.db2.gz OWLQNFBARMBYNG-UHFFFAOYSA-N -1 0 331.253 3.407 20 30 EGEDRM CCOC(=O)Nc1cccc(C(=O)Nc2cc(C#N)c(F)cc2[O-])c1 ZINC001148828389 1379277965 /nfs/dbraw/zinc/27/79/65/1379277965.db2.gz FKQSWQFZLZHXIX-UHFFFAOYSA-N -1 0 343.314 3.224 20 30 EGEDRM COc1cccc(NC(=O)c2cc3cccc(O)c3cc2[O-])c1C#N ZINC001149652174 1379421693 /nfs/dbraw/zinc/42/16/93/1379421693.db2.gz ZTJXPTUZTOOZBM-UHFFFAOYSA-N -1 0 334.331 3.384 20 30 EGEDRM Cc1ccc2oc(C(=O)Nc3cc(C#N)c(F)cc3[O-])cc(=O)c2c1 ZINC001153659096 1380111415 /nfs/dbraw/zinc/11/14/15/1380111415.db2.gz VWEIZTFBRNIOSF-UHFFFAOYSA-N -1 0 338.294 3.070 20 30 EGEDRM C[C@H](C#N)c1ccc(NC(=O)c2cc(=O)c3cc(C#N)ccc3[n-]2)cc1 ZINC001154556161 1380304790 /nfs/dbraw/zinc/30/47/90/1380304790.db2.gz OONFOYREKNTNNS-GFCCVEGCSA-N -1 0 342.358 3.279 20 30 EGEDRM CC(C)[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1csc(C#N)c1 ZINC001328106420 1388675708 /nfs/dbraw/zinc/67/57/08/1388675708.db2.gz SRDLMCHANHGZIA-OAHLLOKOSA-N -1 0 348.449 3.077 20 30 EGEDRM COc1nc(Nc2c(C)c(=O)[n-]n2-c2ccccc2)c(F)cc1C#N ZINC001163115775 1382969083 /nfs/dbraw/zinc/96/90/83/1382969083.db2.gz IDGXHOFFSVHVND-UHFFFAOYSA-N -1 0 339.330 3.044 20 30 EGEDRM N#Cc1nc(NC(=O)c2ccccc2SC(F)(F)F)[n-]c1C#N ZINC001163737922 1383116703 /nfs/dbraw/zinc/11/67/03/1383116703.db2.gz OURIABIENJUXLJ-UHFFFAOYSA-N -1 0 337.286 3.017 20 30 EGEDRM Cc1cc2c(NC(=O)c3ccc(Cl)cc3[O-])n[nH]c2cc1C#N ZINC001164584437 1383201973 /nfs/dbraw/zinc/20/19/73/1383201973.db2.gz DMFINCPOLXKUJG-UHFFFAOYSA-N -1 0 326.743 3.354 20 30 EGEDRM Cc1ccc(NCc2cc(=O)[n-]o2)cc1NC(=O)c1cccc(C#N)c1 ZINC001169485574 1384153377 /nfs/dbraw/zinc/15/33/77/1384153377.db2.gz PHGYTPKEZUKFAJ-UHFFFAOYSA-N -1 0 348.362 3.425 20 30 EGEDRM C#C[C@](C)(CC)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)nc1 ZINC001169698212 1384174799 /nfs/dbraw/zinc/17/47/99/1384174799.db2.gz RQVIMGAWTBAJLG-GOSISDBHSA-N -1 0 343.452 3.405 20 30 EGEDRM N#Cc1cnc(Nc2ccc(F)c(C(=O)[O-])c2)c(Br)c1 ZINC001175215569 1385222670 /nfs/dbraw/zinc/22/26/70/1385222670.db2.gz LTUKNJTXZGGIIW-UHFFFAOYSA-N -1 0 336.120 3.297 20 30 EGEDRM O=C([O-])Cn1cc(Nc2ccccc2C#Cc2ccc(F)cc2)cn1 ZINC001176271728 1385534040 /nfs/dbraw/zinc/53/40/40/1385534040.db2.gz VWRWUWGTCGUTOC-UHFFFAOYSA-N -1 0 335.338 3.250 20 30 EGEDRM N#CCc1ccc(S(=O)(=O)[N-]c2nc3c(s2)CCCCC3)cc1 ZINC001318969296 1385903442 /nfs/dbraw/zinc/90/34/42/1385903442.db2.gz PTCUFGNKMRZMAT-UHFFFAOYSA-N -1 0 347.465 3.279 20 30 EGEDRM C=CC[C@H](NC(=O)c1cc(C)n(-c2cccc(C)c2)c1C)C(=O)[O-] ZINC001321657099 1386950536 /nfs/dbraw/zinc/95/05/36/1386950536.db2.gz CZGLYPPULDLJEO-KRWDZBQOSA-N -1 0 326.396 3.162 20 30 EGEDRM COc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(CC#N)cc1 ZINC001330731448 1389511993 /nfs/dbraw/zinc/51/19/93/1389511993.db2.gz OKLLRENCWXWVKF-UHFFFAOYSA-N -1 0 336.800 3.215 20 30 EGEDRM C=CC[C@H](NC(=O)c1ccc(OCCCC)cc1Cl)C(=O)[O-] ZINC001339523698 1390055388 /nfs/dbraw/zinc/05/53/88/1390055388.db2.gz LUONZCRXOGUHEY-AWEZNQCLSA-N -1 0 325.792 3.278 20 30 EGEDRM CC(N=Nc1ccc(C(C)(C)C)nn1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC001340953156 1390412348 /nfs/dbraw/zinc/41/23/48/1390412348.db2.gz WOSSBSDKJUYTBD-UHFFFAOYSA-N -1 0 329.360 3.224 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cnc(CC(C)C)s1 ZINC001342019151 1390562182 /nfs/dbraw/zinc/56/21/82/1390562182.db2.gz FMXFJUNXJKVKNF-CYBMUJFWSA-N -1 0 335.473 3.361 20 30 EGEDRM C=CCn1c(-c2cnc(C3CC3)[nH]c2=O)nnc1N(CCC)CCC ZINC001342040469 1390564829 /nfs/dbraw/zinc/56/48/29/1390564829.db2.gz SNITVRBVKDVHRL-UHFFFAOYSA-N -1 0 342.447 3.131 20 30 EGEDRM C=C(C)Cn1c(-c2c[n-]n(CC)c2=O)nnc1N1CC[C@](C)(CC)C1 ZINC001342247523 1390590966 /nfs/dbraw/zinc/59/09/66/1390590966.db2.gz JRJZSDBPHOJTHX-SFHVURJKSA-N -1 0 344.463 3.070 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)c2ncc(Cl)n2C)nn1[C@H](C)C1CC1 ZINC001345642380 1390871394 /nfs/dbraw/zinc/87/13/94/1390871394.db2.gz IPMZLBSNSCSZHJ-PWSUYJOCSA-N -1 0 331.807 3.040 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc1C#N ZINC001348628327 1391246034 /nfs/dbraw/zinc/24/60/34/1391246034.db2.gz CYTTVNNEZKFALO-YRGRVCCFSA-N -1 0 345.468 3.469 20 30 EGEDRM C#CCCCOC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735375758 1428280027 /nfs/dbraw/zinc/28/00/27/1428280027.db2.gz RMTVFAADAPLURV-UHFFFAOYSA-N -1 0 347.378 3.181 20 30 EGEDRM C[C@@H](OC(=O)C=Cc1ccccc1C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000820486736 1428347746 /nfs/dbraw/zinc/34/77/46/1428347746.db2.gz CPSKRNIPTDPQBT-BSYHEUMXSA-N -1 0 345.362 3.056 20 30 EGEDRM Cc1cccc(C(C)N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)c1C ZINC000823958339 1428784773 /nfs/dbraw/zinc/78/47/73/1428784773.db2.gz KCLDRIUINXZXNJ-UHFFFAOYSA-N -1 0 341.806 3.368 20 30 EGEDRM CC(C)c1ncc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000820206425 1429099425 /nfs/dbraw/zinc/09/94/25/1429099425.db2.gz JZOIUDVMAVDCTB-SREVYHEPSA-N -1 0 325.397 3.343 20 30 EGEDRM COc1ccc(C=C2Cc3cc(C)ccc3C2=O)cc1-c1nn[n-]n1 ZINC000737084769 1429564517 /nfs/dbraw/zinc/56/45/17/1429564517.db2.gz VOFRKHJCMZSBPF-ZSOIEALJSA-N -1 0 332.363 3.006 20 30 EGEDRM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1cccc(OC(F)F)c1 ZINC000822929144 1423998302 /nfs/dbraw/zinc/99/83/02/1423998302.db2.gz QJWPBJROFPQLAP-GQCTYLIASA-N -1 0 348.334 3.426 20 30 EGEDRM Cc1ccc(OC(F)F)c(C=NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822258663 1425275884 /nfs/dbraw/zinc/27/58/84/1425275884.db2.gz ADIMBFHFQSOUHQ-UHFFFAOYSA-N -1 0 344.325 3.223 20 30 EGEDRM N#Cc1ccc(F)c(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000822829679 1425322918 /nfs/dbraw/zinc/32/29/18/1425322918.db2.gz DFXOTEGVYROSNB-UHFFFAOYSA-N -1 0 328.738 3.143 20 30 EGEDRM COc1ccc(C=CC(=O)c2cc(C)ccc2F)cc1-c1nn[n-]n1 ZINC000826190990 1426365838 /nfs/dbraw/zinc/36/58/38/1426365838.db2.gz SXPLRZKMVJILOJ-DAXSKMNVSA-N -1 0 338.342 3.219 20 30 EGEDRM C[C@H](NC1(c2cccc(C#N)c2)CC1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824537321 1426505649 /nfs/dbraw/zinc/50/56/49/1426505649.db2.gz DEZIJOQTYMNIQN-LBPRGKRZSA-N -1 0 348.385 3.217 20 30 EGEDRM O=C1c2ccc(F)cc2OCCC1=Cc1cccc(-c2nn[n-]n2)c1 ZINC000826476052 1426517970 /nfs/dbraw/zinc/51/79/70/1426517970.db2.gz ZTVVIHFZTBLPGB-WQLSENKSSA-N -1 0 336.326 3.055 20 30 EGEDRM CC(CCC(F)(F)F)N=Nc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000824400655 1426987657 /nfs/dbraw/zinc/98/76/57/1426987657.db2.gz JUGLPDHJPCQUTL-UHFFFAOYSA-N -1 0 331.302 3.108 20 30 EGEDRM O=C(C=Cc1cc(F)c(F)c(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000737794977 1427260416 /nfs/dbraw/zinc/26/04/16/1427260416.db2.gz HLNJJFVGLVCZEC-SNAWJCMRSA-N -1 0 330.269 3.180 20 30 EGEDRM O=c1[nH]c2ccccc2cc1C=Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738400101 1427509352 /nfs/dbraw/zinc/50/93/52/1427509352.db2.gz CLNKWZMNGSWBOT-UHFFFAOYSA-N -1 0 334.314 3.010 20 30 EGEDRM C=CCOc1ccc(Oc2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000819758673 1427541220 /nfs/dbraw/zinc/54/12/20/1427541220.db2.gz FJTMEODNFLQIAG-UHFFFAOYSA-N -1 0 329.747 3.272 20 30 EGEDRM Cc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)ccc1F ZINC000826266427 1427912068 /nfs/dbraw/zinc/91/20/68/1427912068.db2.gz OGIFZMYILJTESM-CLTKARDFSA-N -1 0 326.306 3.349 20 30 EGEDRM N#Cc1cc(NCc2ccc(F)c(-c3nn[n-]n3)c2)ccc1Cl ZINC000822822864 1427970176 /nfs/dbraw/zinc/97/01/76/1427970176.db2.gz FUXDNGUQEQLHFX-UHFFFAOYSA-N -1 0 328.738 3.143 20 30 EGEDRM Clc1cccc(Cl)c1C=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000822585757 1430046751 /nfs/dbraw/zinc/04/67/51/1430046751.db2.gz MQJHWSIGKSWCRN-UHFFFAOYSA-N -1 0 347.209 3.297 20 30 EGEDRM C=CC[C@@H](C)[C@H](C)Nc1ccc(NC(=O)OCC)c(-c2nn[n-]n2)c1 ZINC000823888000 1441895263 /nfs/dbraw/zinc/89/52/63/1441895263.db2.gz CUNOCXSJWUUPTH-NEPJUHHUSA-N -1 0 344.419 3.448 20 30 EGEDRM CCCCCCCCOCC(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC000736449250 1442164638 /nfs/dbraw/zinc/16/46/38/1442164638.db2.gz SBTBMJRTZKOVQF-UHFFFAOYSA-N -1 0 345.447 3.207 20 30 EGEDRM N#Cc1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)c(F)c1 ZINC000822825394 1442171643 /nfs/dbraw/zinc/17/16/43/1442171643.db2.gz DEJONPYEDDILKZ-ZROIWOOFSA-N -1 0 345.337 3.090 20 30 EGEDRM O=C(C=Cc1cncc2ccccc12)c1ccc(-c2nn[n-]n2)s1 ZINC000826403286 1443147421 /nfs/dbraw/zinc/14/74/21/1443147421.db2.gz ODRQBUOVWMYDFA-AATRIKPKSA-N -1 0 333.376 3.373 20 30 EGEDRM CCO[C@H]1CC(N=Nc2ccc(-c3nn[n-]n3)cc2)C12CCCCC2 ZINC000736616277 1446138304 /nfs/dbraw/zinc/13/83/04/1446138304.db2.gz MYWTYPQSGJDEJQ-INIZCTEOSA-N -1 0 340.431 3.394 20 30 EGEDRM Cc1nc(-c2nn[n-]n2)c(N=NC2C[C@@H](c3ccccc3)C2(C)C)o1 ZINC000822423289 1446553812 /nfs/dbraw/zinc/55/38/12/1446553812.db2.gz JAEQFYWSUREPJN-LBPRGKRZSA-N -1 0 337.387 3.145 20 30 EGEDRM N#Cc1ccc(F)c(CNc2cc(-c3nn[n-]n3)nc3ccccc32)c1 ZINC000822829847 1446592081 /nfs/dbraw/zinc/59/20/81/1446592081.db2.gz LTISECRIJJOJNB-UHFFFAOYSA-N -1 0 345.341 3.038 20 30 EGEDRM C#CCCCCC(=O)N[C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000910379913 939755353 /nfs/dbraw/zinc/75/53/53/939755353.db2.gz LYPWUSOFAIRDST-CQSZACIVSA-N -1 0 327.302 3.141 20 30 EGEDRM N#CCSc1ccccc1C(=O)N[C@H](CC1CCCCC1)C(=O)[O-] ZINC000326216329 971275765 /nfs/dbraw/zinc/27/57/65/971275765.db2.gz GDTUFWWEIQOMDC-OAHLLOKOSA-N -1 0 346.452 3.456 20 30 EGEDRM N#Cc1ccc(N2CCC(CCC(=O)[O-])CC2)cc1Br ZINC000228164436 949623475 /nfs/dbraw/zinc/62/34/75/949623475.db2.gz LAEUHXOIGNLPJO-UHFFFAOYSA-N -1 0 337.217 3.402 20 30 EGEDRM CCN(C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1)[C@H](C)C(=O)[O-] ZINC001589705837 950283653 /nfs/dbraw/zinc/28/36/53/950283653.db2.gz BPKHBIZHOLWDHR-LLVKDONJSA-N -1 0 333.388 3.062 20 30 EGEDRM CC(C)(C)CC[C@@H](NC(=O)C[C@@H](CC#N)c1ccccc1)C(=O)[O-] ZINC001602859319 971709319 /nfs/dbraw/zinc/70/93/19/971709319.db2.gz GHPJXXDZTPBLTO-HZPDHXFCSA-N -1 0 330.428 3.470 20 30 EGEDRM O=C([O-])[C@H](C(=O)Nc1cccc(C#Cc2ccccn2)c1)C1CCCC1 ZINC001594838213 954046770 /nfs/dbraw/zinc/04/67/70/954046770.db2.gz VXBRFIIJQHYLAF-IBGZPJMESA-N -1 0 348.402 3.311 20 30 EGEDRM C[C@@H]1CCN(C(=O)c2c(Cl)cc(C#N)cc2Cl)C[C@H]1C(=O)[O-] ZINC001589348744 954069237 /nfs/dbraw/zinc/06/92/37/954069237.db2.gz UQJBUVJKDAURRC-PSASIEDQSA-N -1 0 341.194 3.048 20 30 EGEDRM N#Cc1cc(C(F)(F)F)cc(N[C@@H](Cc2ccccc2)C(=O)[O-])n1 ZINC001594616957 956245749 /nfs/dbraw/zinc/24/57/49/956245749.db2.gz UUILZBKBWNWKBJ-ZDUSSCGKSA-N -1 0 335.285 3.080 20 30 EGEDRM C=CCCC[C@H](NC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1)c1ccccc1 ZINC000902698344 956772780 /nfs/dbraw/zinc/77/27/80/956772780.db2.gz LQWUEKRZNQHKTJ-BZSNNMDCSA-N -1 0 345.439 3.470 20 30 EGEDRM N#Cc1cccc(C(=O)Nc2ccc(Br)cc2C(=O)[O-])c1 ZINC000048218969 957457588 /nfs/dbraw/zinc/45/75/88/957457588.db2.gz DIIXVGCBLJKQRY-UHFFFAOYSA-N -1 0 345.152 3.271 20 30 EGEDRM C#C[C@@H](NC(=O)Nc1ccc(C(=O)[O-])c(C)c1)c1ccc(F)cc1 ZINC001588385801 957973646 /nfs/dbraw/zinc/97/36/46/957973646.db2.gz JEZYJLICPWUFCV-MRXNPFEDSA-N -1 0 326.327 3.328 20 30 EGEDRM C#C[C@H](NC(=O)[C@@H](C(=O)[O-])C1CCCC1)c1ccc(Cl)cc1F ZINC001588388058 957991847 /nfs/dbraw/zinc/99/18/47/957991847.db2.gz PCBAQGUOEXKGRG-GJZGRUSLSA-N -1 0 337.778 3.161 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)N[C@@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC001588409308 958126370 /nfs/dbraw/zinc/12/63/70/958126370.db2.gz DZOUFLXBQOIPQU-GOEBONIOSA-N -1 0 348.830 3.096 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)c1ccccc1Nc1cccc(C)c1C ZINC001588419014 958190127 /nfs/dbraw/zinc/19/01/27/958190127.db2.gz MEZZMFUEOZDYNZ-UHFFFAOYSA-N -1 0 336.391 3.207 20 30 EGEDRM C=C(C)CN(Cc1ccccc1)C(=O)Nc1cccnc1C(=O)[O-] ZINC001588439831 958324564 /nfs/dbraw/zinc/32/45/64/958324564.db2.gz IASZFLXFZJCPSB-UHFFFAOYSA-N -1 0 325.368 3.390 20 30 EGEDRM C=CC[C@@H](Cc1ccccc1)NC(=O)c1cccc(OCC(=O)[O-])c1 ZINC001588453139 958431821 /nfs/dbraw/zinc/43/18/21/958431821.db2.gz PJOYOTLZWUCCGO-KRWDZBQOSA-N -1 0 339.391 3.067 20 30 EGEDRM C#Cc1ccc(NC(=O)NCc2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC001573327130 958485708 /nfs/dbraw/zinc/48/57/08/958485708.db2.gz FHCGJLBZVBUNQP-UHFFFAOYSA-N -1 0 328.755 3.341 20 30 EGEDRM CC(C)(C(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1cc(F)cc(C#N)c1 ZINC001573381879 958668721 /nfs/dbraw/zinc/66/87/21/958668721.db2.gz PPQRPNFFYUJPDI-CYBMUJFWSA-N -1 0 346.402 3.078 20 30 EGEDRM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@H](C(=O)[O-])C(C)(C)C ZINC001573518119 959116981 /nfs/dbraw/zinc/11/69/81/959116981.db2.gz OEZDQJALVUIANG-MRXNPFEDSA-N -1 0 330.428 3.290 20 30 EGEDRM CC(C)(C)CC[C@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)C(=O)[O-] ZINC001588647380 959745475 /nfs/dbraw/zinc/74/54/75/959745475.db2.gz FKRFIVVSOYEKAT-HNNXBMFYSA-N -1 0 330.428 3.497 20 30 EGEDRM CC(C)(C)CC[C@@H](NC(=O)c1cccc(SCC#N)c1)C(=O)[O-] ZINC001588649384 959751954 /nfs/dbraw/zinc/75/19/54/959751954.db2.gz SPNBJQDCWRGASV-CQSZACIVSA-N -1 0 334.441 3.312 20 30 EGEDRM N#Cc1ccccc1/C=C/C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001574489063 961700354 /nfs/dbraw/zinc/70/03/54/961700354.db2.gz GIJGNSWAJWGUDZ-AQRBRUGDSA-N -1 0 332.359 3.001 20 30 EGEDRM CC(C)C[C@H](CNC(=O)Nc1ccc(C2CC2)c(C#N)c1)C(=O)[O-] ZINC001588852747 961948305 /nfs/dbraw/zinc/94/83/05/961948305.db2.gz GUZVXEDZZQXHND-CQSZACIVSA-N -1 0 329.400 3.304 20 30 EGEDRM C[C@H](NC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1)c1ccc(C#N)cc1 ZINC001341353041 962131067 /nfs/dbraw/zinc/13/10/67/962131067.db2.gz JJETWZJTUVFWMN-SCLBCKFNSA-N -1 0 349.390 3.013 20 30 EGEDRM C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001341448752 962140910 /nfs/dbraw/zinc/14/09/10/962140910.db2.gz FQWCNZVQECIZDI-MSOLQXFVSA-N -1 0 344.455 3.460 20 30 EGEDRM CC(C)C[C@H](CNC(=O)c1ccc(C2(C#N)CC2)cc1)CC(=O)[O-] ZINC001588894203 962221865 /nfs/dbraw/zinc/22/18/65/962221865.db2.gz BCCOSHAZWUAJFQ-AWEZNQCLSA-N -1 0 328.412 3.109 20 30 EGEDRM C=C(C)CCC(=O)N[C@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC001345719635 962274030 /nfs/dbraw/zinc/27/40/30/962274030.db2.gz NZIFIOPKZTUJTI-CYBMUJFWSA-N -1 0 340.217 3.437 20 30 EGEDRM C=CCC[C@H](NC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)c1ccccc1 ZINC001357261753 962757687 /nfs/dbraw/zinc/75/76/87/962757687.db2.gz MCWIJYRYCQJQFD-KSZLIROESA-N -1 0 342.439 3.446 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)c1ccc(Oc2ccc(C)cc2)cn1)C(=O)[O-] ZINC001573324175 962781886 /nfs/dbraw/zinc/78/18/86/962781886.db2.gz OAJNLZWNYURMEL-QGZVFWFLSA-N -1 0 340.379 3.332 20 30 EGEDRM C=C(CC)CN1CCOc2c(Br)cc(C(=O)[O-])cc2C1 ZINC001573326167 962800899 /nfs/dbraw/zinc/80/08/99/962800899.db2.gz RSWUKGWNTDMZPT-UHFFFAOYSA-N -1 0 340.217 3.308 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N(CCC)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC001573326470 962804945 /nfs/dbraw/zinc/80/49/45/962804945.db2.gz XAIHUAZEFGHMHG-CVEARBPZSA-N -1 0 337.460 3.384 20 30 EGEDRM C=C[C@H](CC)CC(=O)N[C@H](C(=O)[O-])c1ccccc1OC(F)(F)F ZINC001573347293 962947086 /nfs/dbraw/zinc/94/70/86/962947086.db2.gz KJSKIHXSZCUJDP-YGRLFVJLSA-N -1 0 345.317 3.429 20 30 EGEDRM C=CCO[C@H]1CCN([C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)C1 ZINC001573368956 963089138 /nfs/dbraw/zinc/08/91/38/963089138.db2.gz MGXIWGWYLWMALG-KBPBESRZSA-N -1 0 329.318 3.108 20 30 EGEDRM C=CCCN(C)C(=O)Nc1ccc(Br)cc1C(=O)[O-] ZINC000311704655 963504418 /nfs/dbraw/zinc/50/44/18/963504418.db2.gz ILVCHKKTFROOCI-UHFFFAOYSA-N -1 0 327.178 3.187 20 30 EGEDRM Cc1cc(N2CC[C@H](C)[C@H](C(=O)[O-])C2)n2c3ccccc3nc2c1C#N ZINC001605186959 972903164 /nfs/dbraw/zinc/90/31/64/972903164.db2.gz KMUDKNXDGWGEKU-SWLSCSKDSA-N -1 0 348.406 3.215 20 30 EGEDRM C=CCCC[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC000398054854 973060044 /nfs/dbraw/zinc/06/00/44/973060044.db2.gz CYRHNQQDCAZSAI-LBPRGKRZSA-N -1 0 325.430 3.025 20 30 EGEDRM N#Cc1c(Br)cccc1N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000405372777 973854880 /nfs/dbraw/zinc/85/48/80/973854880.db2.gz RAPPJSUODNZWFI-LLVKDONJSA-N -1 0 335.201 3.012 20 30 EGEDRM N#Cc1c2ccccc2[nH]c1C(=O)N1CC[C@H](C(=O)[O-])c2ccccc21 ZINC001605590417 973883286 /nfs/dbraw/zinc/88/32/86/973883286.db2.gz DOMZTPHIMPWZMM-AWEZNQCLSA-N -1 0 345.358 3.258 20 30 EGEDRM N#Cc1cc(NC(=O)CCCCC(=O)[O-])ccc1OC(F)(F)F ZINC001605591960 973890705 /nfs/dbraw/zinc/89/07/05/973890705.db2.gz KXHHWUGJIDZKDS-UHFFFAOYSA-N -1 0 330.262 3.040 20 30 EGEDRM CCN(C(=O)Nc1ccccc1S[C@H](C)CC#N)[C@H](C)C(=O)[O-] ZINC001603715124 974131248 /nfs/dbraw/zinc/13/12/48/974131248.db2.gz BYYUIXNBGDGZIA-VXGBXAGGSA-N -1 0 335.429 3.408 20 30 EGEDRM CC(C)Oc1cccc(/C=C2/CCn3nc(C(=O)[O-])cc3C2=O)c1 ZINC001591792267 975998039 /nfs/dbraw/zinc/99/80/39/975998039.db2.gz RYQZLOUILGQXAV-JYRVWZFOSA-N -1 0 326.352 3.039 20 30 EGEDRM C[C@H](CC#N)C(=O)N(C)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001592213443 977273330 /nfs/dbraw/zinc/27/33/30/977273330.db2.gz XQRBTZBBXLCAKQ-PRHODGIISA-N -1 0 329.183 3.127 20 30 EGEDRM C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CC=C(C(=O)[O-])C1 ZINC001592225748 977412708 /nfs/dbraw/zinc/41/27/08/977412708.db2.gz MSIIQTICJUXWJW-AAEUAGOBSA-N -1 0 345.424 3.376 20 30 EGEDRM C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CC=C(C(=O)[O-])C1 ZINC001592225750 977412796 /nfs/dbraw/zinc/41/27/96/977412796.db2.gz MSIIQTICJUXWJW-WCQYABFASA-N -1 0 345.424 3.376 20 30 EGEDRM O=C([O-])c1ccc(/C=C/C(=O)c2ncc(Br)s2)cc1 ZINC000756844169 978700182 /nfs/dbraw/zinc/70/01/82/978700182.db2.gz JGCDPLBLUJXGGW-ZZXKWVIFSA-N -1 0 338.182 3.500 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1NN=Cc1cnn(-c2ccccc2)c1 ZINC000756899203 978701256 /nfs/dbraw/zinc/70/12/56/978701256.db2.gz SOCHRFCORKUGKI-UHFFFAOYSA-N -1 0 336.351 3.025 20 30 EGEDRM N#CCc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000776673150 978768695 /nfs/dbraw/zinc/76/86/95/978768695.db2.gz MTFYXIMFGLOLOR-INIZCTEOSA-N -1 0 342.782 3.352 20 30 EGEDRM O=C([O-])c1cccc(NN=Cc2ccc(Cl)cc2-n2cncn2)c1 ZINC000814687666 978872661 /nfs/dbraw/zinc/87/26/61/978872661.db2.gz QFOQQXFHIDNTQX-UHFFFAOYSA-N -1 0 341.758 3.065 20 30 EGEDRM Cc1ccc(NC(=S)NN=C2CC[C@@H](CC(=O)[O-])[C@@H]2C)c(C)c1 ZINC000814706809 978875273 /nfs/dbraw/zinc/87/52/73/978875273.db2.gz FYIXSOJQKIPXDM-STQMWFEESA-N -1 0 333.457 3.467 20 30 EGEDRM C[C@H]1C(N=Nc2ncnc3sc4c(c32)CCC4)CC[C@@H]1CC(=O)[O-] ZINC000814726097 978876712 /nfs/dbraw/zinc/87/67/12/978876712.db2.gz JTWUIISEBRYREO-NXEZZACHSA-N -1 0 344.440 3.469 20 30 EGEDRM C[C@@H]1C(N=Nc2ccnc(Br)c2)CC[C@H]1CC(=O)[O-] ZINC000814904450 978897952 /nfs/dbraw/zinc/89/79/52/978897952.db2.gz JURYYVXGBNQETA-IUCAKERBSA-N -1 0 326.194 3.133 20 30 EGEDRM C[C@@H]1C(N=Nc2ccnc(Br)c2)CC[C@@H]1CC(=O)[O-] ZINC000814904449 978898157 /nfs/dbraw/zinc/89/81/57/978898157.db2.gz JURYYVXGBNQETA-DTWKUNHWSA-N -1 0 326.194 3.133 20 30 EGEDRM CC(C[C@@H](C)NC(=O)OC(C)(C)C)N=Nc1ccc(CC(=O)[O-])cc1 ZINC000848414678 979466882 /nfs/dbraw/zinc/46/68/82/979466882.db2.gz QEWUFGHXSOSOHP-GFCCVEGCSA-N -1 0 349.431 3.405 20 30 EGEDRM C[C@](Cc1ccc(F)cc1)(NC(=O)CC1(C#N)CCCCC1)C(=O)[O-] ZINC001592845454 979614261 /nfs/dbraw/zinc/61/42/61/979614261.db2.gz BAQLTHBVEGXITQ-GOSISDBHSA-N -1 0 346.402 3.192 20 30 EGEDRM CC[C@H](CNc1ccc(C(=O)[O-])nc1C#N)Oc1ccccc1C ZINC001595172400 979741103 /nfs/dbraw/zinc/74/11/03/979741103.db2.gz BZAFIXCMUDNYGE-CYBMUJFWSA-N -1 0 325.368 3.229 20 30 EGEDRM C=C(C)C[C@H](NC(=O)[C@@H](C)Sc1ccc(Cl)cc1)C(=O)[O-] ZINC000864188609 979837346 /nfs/dbraw/zinc/83/73/46/979837346.db2.gz UGIONMDSLVWWQM-MFKMUULPSA-N -1 0 327.833 3.356 20 30 EGEDRM CC[C@H](OC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)C(=O)[O-] ZINC001595352308 980667421 /nfs/dbraw/zinc/66/74/21/980667421.db2.gz WITIWZCQVDGKSL-INIZCTEOSA-N -1 0 325.320 3.371 20 30 EGEDRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1ccc(C#N)cc1F ZINC001595360768 980755318 /nfs/dbraw/zinc/75/53/18/980755318.db2.gz ORIIWEGUBUNCPP-QGZVFWFLSA-N -1 0 340.354 3.375 20 30 EGEDRM CC[C@@H]1CCCC[C@@H]1OCC(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001595448459 981098902 /nfs/dbraw/zinc/09/89/02/981098902.db2.gz QRVUKXYLCTVPAU-HFTRVMKXSA-N -1 0 345.395 3.213 20 30 EGEDRM CCC[C@H](C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1ccccn1 ZINC001595537961 981389695 /nfs/dbraw/zinc/38/96/95/981389695.db2.gz PAOXJWPJAKGQLV-DOTOQJQBSA-N -1 0 338.363 3.206 20 30 EGEDRM CCC[C@](C)(NC(=O)C1(c2ccc(C#N)cc2)CCCC1)C(=O)[O-] ZINC001595546758 981413909 /nfs/dbraw/zinc/41/39/09/981413909.db2.gz SSDKZPQSNHMQPP-SFHVURJKSA-N -1 0 328.412 3.130 20 30 EGEDRM C=CCSc1ccccc1C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000909905590 981701120 /nfs/dbraw/zinc/70/11/20/981701120.db2.gz NBCQIEUROMDFOE-LSDHHAIUSA-N -1 0 331.437 3.148 20 30 EGEDRM CCCC[C@@H](ON=C(C)C)C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC001595651063 982016769 /nfs/dbraw/zinc/01/67/69/982016769.db2.gz BTTPHPLNPMKUSU-MRXNPFEDSA-N -1 0 334.416 3.015 20 30 EGEDRM CCCC[C@@H](ON=C(C)C)C(=O)N[C@](CC)(C(=O)[O-])c1ccccc1 ZINC001595651780 982026154 /nfs/dbraw/zinc/02/61/54/982026154.db2.gz KIWSBRBTCCKXCM-APWZRJJASA-N -1 0 348.443 3.464 20 30 EGEDRM CCCCC[C@@H](NC(=O)C#Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001595671013 982122357 /nfs/dbraw/zinc/12/23/57/982122357.db2.gz XFNWRBBPAUIBRL-CQSZACIVSA-N -1 0 341.329 3.207 20 30 EGEDRM CC[C@H](C)C[C@H](NC(=O)C#Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001594937593 982601496 /nfs/dbraw/zinc/60/14/96/982601496.db2.gz WUFMLWMJXMWVDM-FZMZJTMJSA-N -1 0 341.329 3.063 20 30 EGEDRM C#C[C@H](NC(=O)c1ccc(C(=O)[O-])cc1F)c1ccc(Cl)cc1F ZINC001588378141 983361065 /nfs/dbraw/zinc/36/10/65/983361065.db2.gz VMFZBHDVGDRUAR-HNNXBMFYSA-N -1 0 349.720 3.421 20 30 EGEDRM C#CC1(NC(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)CCCC1 ZINC001588379573 983364780 /nfs/dbraw/zinc/36/47/80/983364780.db2.gz MCRHTXKQKBXTOH-UHFFFAOYSA-N -1 0 338.310 3.054 20 30 EGEDRM C#CCC(C)(C)C(=O)OCc1c(Br)cccc1C(=O)[O-] ZINC001588390270 983392440 /nfs/dbraw/zinc/39/24/40/983392440.db2.gz PREJNOZAHCCIFQ-UHFFFAOYSA-N -1 0 339.185 3.240 20 30 EGEDRM C#CC[C@H](Cc1ccccc1)NC(=O)CCc1ccccc1C(=O)[O-] ZINC001588394682 983403441 /nfs/dbraw/zinc/40/34/41/983403441.db2.gz NIYFKQHDCRQKNJ-GOSISDBHSA-N -1 0 335.403 3.068 20 30 EGEDRM C#CC[C@@H](NC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC001588407563 983428621 /nfs/dbraw/zinc/42/86/21/983428621.db2.gz KDPBPKGPCCVFJY-RBUKOAKNSA-N -1 0 348.402 3.145 20 30 EGEDRM C#CC[C@H](NC(=O)NCc1ccc(C(=O)[O-])s1)c1ccccc1 ZINC001588407926 983429349 /nfs/dbraw/zinc/42/93/49/983429349.db2.gz RJXLLVATEOWPKE-AWEZNQCLSA-N -1 0 328.393 3.010 20 30 EGEDRM C#CC[C@H]1CCCN(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)C1 ZINC001588434505 983470509 /nfs/dbraw/zinc/47/05/09/983470509.db2.gz LTBIRYXUDZJLSG-RRQGHBQHSA-N -1 0 326.396 3.142 20 30 EGEDRM C#CCN(Cc1ccccc1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001588469730 983502853 /nfs/dbraw/zinc/50/28/53/983502853.db2.gz PCLILDRAXKNMJJ-UHFFFAOYSA-N -1 0 344.317 3.330 20 30 EGEDRM C#CCO[C@@H](C)C(=O)Nc1c(-c2ccc(C)cc2)csc1C(=O)[O-] ZINC001588490850 983534531 /nfs/dbraw/zinc/53/45/31/983534531.db2.gz ZUHFCBYVSXVKIT-LBPRGKRZSA-N -1 0 343.404 3.399 20 30 EGEDRM C#CCOc1ccc(C(=O)Nc2nc(C(=O)[O-])c(C(C)C)s2)cc1 ZINC001588497700 983540502 /nfs/dbraw/zinc/54/05/02/983540502.db2.gz WHWHUPSYTHFNAB-UHFFFAOYSA-N -1 0 344.392 3.229 20 30 EGEDRM C#CCSc1ccc(COC(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC001588509396 983552438 /nfs/dbraw/zinc/55/24/38/983552438.db2.gz BUINBEFCHPPOPL-UHFFFAOYSA-N -1 0 326.373 3.467 20 30 EGEDRM C#Cc1cccc(CNC(=O)Nc2c(C)sc(C)c2C(=O)[O-])c1 ZINC001588522104 983569353 /nfs/dbraw/zinc/56/93/53/983569353.db2.gz BPVBWQSAKZKBID-UHFFFAOYSA-N -1 0 328.393 3.366 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)[C@H](C)Oc1ccc2ccccc2c1)C(=O)[O-] ZINC001588543549 983612014 /nfs/dbraw/zinc/61/20/14/983612014.db2.gz KGRFVQBNNOTBOQ-SUMWQHHRSA-N -1 0 327.380 3.143 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)c1cc(Br)c(F)cc1C)C(=O)[O-] ZINC001588544099 983612982 /nfs/dbraw/zinc/61/29/82/983612982.db2.gz UMUVFWVQHGKCFO-GFCCVEGCSA-N -1 0 344.180 3.046 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)c1cc(Br)ccc1Cl)C(=O)[O-] ZINC001588544231 983613951 /nfs/dbraw/zinc/61/39/51/983613951.db2.gz YSDFUEXDIHDHRH-LLVKDONJSA-N -1 0 346.608 3.252 20 30 EGEDRM C=C(C)C[C@@H](NS(=O)(=O)c1cc(C(C)C)ccc1Cl)C(=O)[O-] ZINC001588555970 983638183 /nfs/dbraw/zinc/63/81/83/983638183.db2.gz YLDLCCDEPKSAEO-CYBMUJFWSA-N -1 0 345.848 3.161 20 30 EGEDRM C=C(C)CN(Cc1ccc(CO)o1)[C@H](C(=O)[O-])c1ccccc1F ZINC001588568008 983648952 /nfs/dbraw/zinc/64/89/52/983648952.db2.gz ZHQWXERNPFZVKH-KRWDZBQOSA-N -1 0 333.359 3.115 20 30 EGEDRM C=C(C)Cn1c(C2CCC2)nnc1N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC001588591373 983672506 /nfs/dbraw/zinc/67/25/06/983672506.db2.gz IHJLEHZMLZBOEB-OAHLLOKOSA-N -1 0 346.475 3.449 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC001588622148 983722270 /nfs/dbraw/zinc/72/22/70/983722270.db2.gz QDECYVWENDRXSN-GFCCVEGCSA-N -1 0 333.281 3.356 20 30 EGEDRM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1nc2c(s1)CC[C@H](C(=O)[O-])C2 ZINC001588644219 983768690 /nfs/dbraw/zinc/76/86/90/983768690.db2.gz IALLKLNSPZMXPX-SDDRHHMPSA-N -1 0 347.440 3.048 20 30 EGEDRM C=CC1(CC(=O)N2[C@H]3C[C@@H](C(=O)[O-])O[C@H]3CC[C@H]2C)CCCCC1 ZINC001588714337 983951257 /nfs/dbraw/zinc/95/12/57/983951257.db2.gz FVDLLXLBKBNXCN-UGUYLWEFSA-N -1 0 335.444 3.135 20 30 EGEDRM C=C[C@@H](Sc1nnc(Nc2ccccc2OCC)s1)C(=O)[O-] ZINC001588714472 983951851 /nfs/dbraw/zinc/95/18/51/983951851.db2.gz HDIGTJRAZJILSM-LLVKDONJSA-N -1 0 337.426 3.412 20 30 EGEDRM C=CC[C@@H](C(=O)NCc1cc(C(=O)[O-])c(C)n1C)c1ccccc1 ZINC001588720572 983968423 /nfs/dbraw/zinc/96/84/23/983968423.db2.gz AURHNKQYKINXTM-MRXNPFEDSA-N -1 0 326.396 3.008 20 30 EGEDRM C=CC[C@H](Cc1ccccc1)NC(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC001588743944 984040104 /nfs/dbraw/zinc/04/01/04/984040104.db2.gz FTYIXPDHCSNDIK-PBPGXSGUSA-N -1 0 327.424 3.325 20 30 EGEDRM C=CC[C@H](OC(=O)/C(C)=C/c1ccc(Br)o1)C(=O)[O-] ZINC001588750258 984070616 /nfs/dbraw/zinc/07/06/16/984070616.db2.gz DIQGEYFLFGMGKO-JARNTUPDSA-N -1 0 329.146 3.018 20 30 EGEDRM C=CC[C@@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1N)C(=O)[O-] ZINC001588758750 984107343 /nfs/dbraw/zinc/10/73/43/984107343.db2.gz JHAVSXNSQSEOBI-CYBMUJFWSA-N -1 0 346.456 3.078 20 30 EGEDRM C=CC[C@@H](Sc1nnc(COc2ccccc2)n1CC=C)C(=O)[O-] ZINC001588762252 984115345 /nfs/dbraw/zinc/11/53/45/984115345.db2.gz HHPWUXRSTHRBKD-CQSZACIVSA-N -1 0 345.424 3.165 20 30 EGEDRM C=CCC1(C(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)CCOCC1 ZINC001588764882 984123628 /nfs/dbraw/zinc/12/36/28/984123628.db2.gz KEFFMMSXJTVAFW-UHFFFAOYSA-N -1 0 341.766 3.489 20 30 EGEDRM C=CCC1(C(=O)Oc2cc(/C=C/C(=O)[O-])ccc2OC)CCOCC1 ZINC001588767240 984129374 /nfs/dbraw/zinc/12/93/74/984129374.db2.gz QBPKSWKTDYMDSH-FNORWQNLSA-N -1 0 346.379 3.071 20 30 EGEDRM C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC(C)(C)c1cc(C(=O)[O-])on1 ZINC001588770888 984137003 /nfs/dbraw/zinc/13/70/03/984137003.db2.gz KJIFHNJXAOZBQO-NEPJUHHUSA-N -1 0 335.404 3.042 20 30 EGEDRM C=CC[C@@H]1CCN(C(=O)Nc2ccc(O[C@@H](C)C(=O)[O-])c(F)c2)C1 ZINC001588772284 984141987 /nfs/dbraw/zinc/14/19/87/984141987.db2.gz CEZNYZDXWRLSBA-NWDGAFQWSA-N -1 0 336.363 3.108 20 30 EGEDRM C=CCCC(C)(C)CNS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC001588777753 984157883 /nfs/dbraw/zinc/15/78/83/984157883.db2.gz IXMOKWMESXOXOL-DHZHZOJOSA-N -1 0 337.441 3.055 20 30 EGEDRM C=CCC[C@H](NC(=O)N1CCC(C#N)(C(=O)[O-])CC1)c1ccccc1 ZINC001588778726 984162592 /nfs/dbraw/zinc/16/25/92/984162592.db2.gz KDUKVRULTAHDTP-INIZCTEOSA-N -1 0 341.411 3.094 20 30 EGEDRM C=CCC[C@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1C(=O)[O-] ZINC001588782490 984172173 /nfs/dbraw/zinc/17/21/73/984172173.db2.gz VVFUCJJPVSONRO-NSHDSACASA-N -1 0 343.832 3.158 20 30 EGEDRM C=CCCC[C@H](NC(=O)C(F)(F)c1ccccc1OCC)C(=O)[O-] ZINC001588787865 984188830 /nfs/dbraw/zinc/18/88/30/984188830.db2.gz ZQXJUPBMMXPZMK-ZDUSSCGKSA-N -1 0 341.354 3.103 20 30 EGEDRM C=CCCC[C@@H](NC(=O)Cc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC001588788951 984195253 /nfs/dbraw/zinc/19/52/53/984195253.db2.gz SNXSIDDFADBTNA-CYBMUJFWSA-N -1 0 330.211 3.462 20 30 EGEDRM C=CCCC[C@H](NC(=O)CCSc1ccc(F)cc1)C(=O)[O-] ZINC001588789093 984196813 /nfs/dbraw/zinc/19/68/13/984196813.db2.gz XWGULWBNWIYKHM-AWEZNQCLSA-N -1 0 325.405 3.234 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1ccc(F)c(C(F)(F)F)c1)C(=O)[O-] ZINC001588792267 984207903 /nfs/dbraw/zinc/20/79/03/984207903.db2.gz BKUBTTIHJSRXHL-GFCCVEGCSA-N -1 0 333.281 3.384 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1cccc2[nH]c(C(F)F)nc21)C(=O)[O-] ZINC001588792661 984211618 /nfs/dbraw/zinc/21/16/18/984211618.db2.gz CCMYUOQZBNPJER-LLVKDONJSA-N -1 0 337.326 3.040 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1ncoc1-c1ccc(C)cc1)C(=O)[O-] ZINC001588797701 984230581 /nfs/dbraw/zinc/23/05/81/984230581.db2.gz JRQCPMYWTSLVMR-CQSZACIVSA-N -1 0 328.368 3.189 20 30 EGEDRM C=CCCC[C@H](NS(=O)(=O)c1ccccc1C(C)(C)C)C(=O)[O-] ZINC001588798812 984238977 /nfs/dbraw/zinc/23/89/77/984238977.db2.gz RUCWDPXQSKARRH-AWEZNQCLSA-N -1 0 339.457 3.072 20 30 EGEDRM C=CCCC[C@@H](NS(=O)(=O)c1c(C)c(C)cc(C)c1C)C(=O)[O-] ZINC001588798848 984239171 /nfs/dbraw/zinc/23/91/71/984239171.db2.gz SNSSUOCBFMQAFM-OAHLLOKOSA-N -1 0 339.457 3.008 20 30 EGEDRM C=CCCCCNC(=O)N1CCC(c2ncc(C(=O)[O-])s2)CC1 ZINC001588802756 984251167 /nfs/dbraw/zinc/25/11/67/984251167.db2.gz XNGKWTISMIBSIN-UHFFFAOYSA-N -1 0 337.445 3.087 20 30 EGEDRM C=CCN(C(=O)Nc1cc(Cl)ccc1C(=O)[O-])[C@H](C)COC ZINC001588820516 984284645 /nfs/dbraw/zinc/28/46/45/984284645.db2.gz HWXMNUOBSLJPJO-SNVBAGLBSA-N -1 0 326.780 3.093 20 30 EGEDRM C=CCN(CCc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])nc1 ZINC001588828652 984308437 /nfs/dbraw/zinc/30/84/37/984308437.db2.gz HFAJSNBCHWMAHY-UHFFFAOYSA-N -1 0 325.368 3.042 20 30 EGEDRM C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001588832550 984323699 /nfs/dbraw/zinc/32/36/99/984323699.db2.gz JCXJTKKBEAMRKS-UHFFFAOYSA-N -1 0 349.390 3.405 20 30 EGEDRM C=CCN(Cc1cccc(C#N)c1)Cc1cc(C(=O)[O-])ccc1OC ZINC001588832753 984325996 /nfs/dbraw/zinc/32/59/96/984325996.db2.gz OPOGMVJLLUWKNO-UHFFFAOYSA-N -1 0 336.391 3.453 20 30 EGEDRM C=CCOc1ccc(CNC(=O)CCc2ccc(C(=O)[O-])cc2)cc1 ZINC001588873515 984444317 /nfs/dbraw/zinc/44/43/17/984444317.db2.gz BRPDKWHJTAYAIR-UHFFFAOYSA-N -1 0 339.391 3.199 20 30 EGEDRM C=CCSCCNC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001588879845 984459476 /nfs/dbraw/zinc/45/94/76/984459476.db2.gz SPUZUNFSQJOKJM-UHFFFAOYSA-N -1 0 332.784 3.218 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1c(C)onc1CC ZINC001588885041 984465052 /nfs/dbraw/zinc/46/50/52/984465052.db2.gz JYRXDJZIDJTXBO-UHFFFAOYSA-N -1 0 345.351 3.200 20 30 EGEDRM C=CCn1c(C2CCCC2)nnc1N1CCC(CCC(=O)[O-])CC1 ZINC001588896766 984504155 /nfs/dbraw/zinc/50/41/55/984504155.db2.gz LMBRVDJTUHJXGH-UHFFFAOYSA-N -1 0 332.448 3.203 20 30 EGEDRM C=CCn1c(SCC2(CC(=O)[O-])CC2)nnc1-c1ccoc1C ZINC001588907110 984537591 /nfs/dbraw/zinc/53/75/91/984537591.db2.gz AGQLMTXPHJSUAA-UHFFFAOYSA-N -1 0 333.413 3.380 20 30 EGEDRM Cc1ccc(N=NC(C)[C@H](C)NC(=O)OC(C)(C)C)cc1C(=O)[O-] ZINC001589016314 984994447 /nfs/dbraw/zinc/99/44/47/984994447.db2.gz FJYWUHLBCZLXIV-NSHDSACASA-N -1 0 335.404 3.394 20 30 EGEDRM C[C@@](C#N)(CCc1ccccc1)NC(=O)c1ccc(C(=O)[O-])cc1F ZINC001589324165 986154641 /nfs/dbraw/zinc/15/46/41/986154641.db2.gz WSFXBRRRBFIDEP-IBGZPJMESA-N -1 0 340.354 3.169 20 30 EGEDRM C[C@@H](C(=O)N1CCC(C#N)(C(=O)[O-])CC1)c1ccc2ccccc2c1 ZINC001589345520 986277863 /nfs/dbraw/zinc/27/78/63/986277863.db2.gz AETUVRDVUYSFRC-CQSZACIVSA-N -1 0 336.391 3.160 20 30 EGEDRM CCOc1ccc(NC(=O)N(C)[C@@H]2CCC[C@H]2C#N)c(C(=O)[O-])c1F ZINC001597117896 986795465 /nfs/dbraw/zinc/79/54/65/986795465.db2.gz OSICIGYWAFUAAK-CMPLNLGQSA-N -1 0 349.362 3.079 20 30 EGEDRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)NCC2CCC(C#N)CC2)cc1 ZINC001589512100 987146205 /nfs/dbraw/zinc/14/62/05/987146205.db2.gz HUHDACRNDYSINI-IYXRBSQSSA-N -1 0 329.400 3.326 20 30 EGEDRM C[C@H](C(=O)[O-])c1cccc(NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)c1 ZINC001589531215 987200623 /nfs/dbraw/zinc/20/06/23/987200623.db2.gz BOKQETKUHHJNLK-UYHISHBKSA-N -1 0 334.375 3.489 20 30 EGEDRM CC(C)(C(=O)Oc1ccc(CC(=O)[O-])cc1F)c1ccc(C#N)cc1 ZINC001589682077 987717682 /nfs/dbraw/zinc/71/76/82/987717682.db2.gz OZJYHGNZBGUJIR-UHFFFAOYSA-N -1 0 341.338 3.208 20 30 EGEDRM CC(C)(C)C(=O)CCCC(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001589685927 987729042 /nfs/dbraw/zinc/72/90/42/987729042.db2.gz JZSAZTCNFCEUSS-MRXNPFEDSA-N -1 0 331.368 3.013 20 30 EGEDRM CSc1ccc(C(=O)OCc2cccc(C(=O)[O-])c2C#N)cc1 ZINC001599810299 988322714 /nfs/dbraw/zinc/32/27/14/988322714.db2.gz ONTRLZJDNAJTKM-UHFFFAOYSA-N -1 0 327.361 3.335 20 30 EGEDRM CC(C)C[C@@H](CNc1ccc(C(=O)[O-])nc1C#N)C(=O)OC(C)(C)C ZINC001591162015 991918439 /nfs/dbraw/zinc/91/84/39/991918439.db2.gz AVLJBUPVFPENFE-LBPRGKRZSA-N -1 0 347.415 3.067 20 30 EGEDRM CN(Cc1cc(C#N)cs1)C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001598507012 992518451 /nfs/dbraw/zinc/51/84/51/992518451.db2.gz KHTAVNQHWDKTLD-UHFFFAOYSA-N -1 0 347.371 3.050 20 30 EGEDRM CN(Cc1csc(-c2ccc(C(=O)[O-])cc2)n1)CC(C)(C)C#N ZINC001598533975 992827123 /nfs/dbraw/zinc/82/71/23/992827123.db2.gz QPYGFPXJWRQCBD-UHFFFAOYSA-N -1 0 329.425 3.490 20 30 EGEDRM C[C@](NC(=O)c1cc(C#N)ccc1Cl)(C(=O)[O-])c1ccc(F)cc1 ZINC001593146883 993947472 /nfs/dbraw/zinc/94/74/72/993947472.db2.gz SZYVSYOMQDWHKH-QGZVFWFLSA-N -1 0 346.745 3.081 20 30 EGEDRM CN1N=C(c2ccc(C(=O)[O-])cc2)CS/C1=N/Cc1ccccc1 ZINC001598634000 994216929 /nfs/dbraw/zinc/21/69/29/994216929.db2.gz UIOXWILWDUFDMF-VHEBQXMUSA-N -1 0 339.420 3.324 20 30 EGEDRM C[C@H](Nc1nc2ncccc2cc1C#N)c1ccc(OCC(=O)[O-])cc1 ZINC001593374296 995073385 /nfs/dbraw/zinc/07/33/85/995073385.db2.gz QPSYTYLRJQSWFR-LBPRGKRZSA-N -1 0 348.362 3.138 20 30 EGEDRM COC(=O)[C@@H](C)n1cccc1C=NNc1ccc(C(=O)[O-])c(Cl)c1 ZINC001598692085 995081319 /nfs/dbraw/zinc/08/13/19/995081319.db2.gz NUABXMINIUAVFG-SNVBAGLBSA-N -1 0 349.774 3.020 20 30 EGEDRM CC(C)n1cc(C(=O)/C=C/c2ccccc2O[C@@H](C)C(=O)[O-])cn1 ZINC001593645649 995976506 /nfs/dbraw/zinc/97/65/06/995976506.db2.gz SRJYBPQFLCWNNY-XEHSLEBBSA-N -1 0 328.368 3.212 20 30 EGEDRM C[C@@]1(C#N)CCCN(C(=O)Nc2ccc3c(C(=O)[O-])c[nH]c3c2)C1 ZINC001593740894 996358847 /nfs/dbraw/zinc/35/88/47/996358847.db2.gz XDKNZPMVFLBQJW-KRWDZBQOSA-N -1 0 326.356 3.024 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1CCNc1nc2ccccc2cc1C#N ZINC001599366860 998347701 /nfs/dbraw/zinc/34/77/01/998347701.db2.gz FLTQBRAUPFIDFN-UHFFFAOYSA-N -1 0 347.374 3.468 20 30 EGEDRM COc1ccc(COC(=O)c2cc(C(=O)[O-])ccc2Cl)cc1C#N ZINC001599576151 998446227 /nfs/dbraw/zinc/44/62/27/998446227.db2.gz YWXQGYYFLJWQDC-UHFFFAOYSA-N -1 0 345.738 3.275 20 30 EGEDRM C[C@H]1CCc2c(sc(NC(=O)CSCCC#N)c2C(=O)[O-])C1 ZINC001594443931 999632097 /nfs/dbraw/zinc/63/20/97/999632097.db2.gz KLBSEHSEFJPALL-VIFPVBQESA-N -1 0 338.454 3.156 20 30 EGEDRM C[C@H](CC(=O)Nc1nc(C#N)c(C#N)[n-]1)c1cccc(C(F)(F)F)c1 ZINC000071915898 203149531 /nfs/dbraw/zinc/14/95/31/203149531.db2.gz FQQFDMNFZNFSLP-SECBINFHSA-N -1 0 347.300 3.304 20 30 EGEDRM COc1ccc(C(=O)NNc2ncnc(Cl)c2C(C)C)c(O)c1 ZINC000328597645 258042708 /nfs/dbraw/zinc/04/27/08/258042708.db2.gz IJWWSBMQHDJGCF-UHFFFAOYSA-N -1 0 336.779 3.299 20 30 EGEDRM CC(C)(CC(=O)[O-])CC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000312719753 154152828 /nfs/dbraw/zinc/15/28/28/154152828.db2.gz FJVMFSGQHWBCLO-UHFFFAOYSA-N -1 0 339.189 3.150 20 30 EGEDRM N#Cc1cc(F)ccc1[N-]S(=O)(=O)c1cnc2ccsc2c1 ZINC000353805247 165893900 /nfs/dbraw/zinc/89/39/00/165893900.db2.gz BTGZQHOVXORZSD-UHFFFAOYSA-N -1 0 333.369 3.108 20 30 EGEDRM N#Cc1cccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2O)c1 ZINC000174250849 265036547 /nfs/dbraw/zinc/03/65/47/265036547.db2.gz BRTRVEYNJWPSGP-UHFFFAOYSA-N -1 0 342.298 3.083 20 30 EGEDRM Cc1cc(C)c(C(=O)CCCC(=O)Nc2nc(C#N)c(C#N)[n-]2)c(C)c1 ZINC000298811146 270042866 /nfs/dbraw/zinc/04/28/66/270042866.db2.gz XVNNGYVQXKJWPN-UHFFFAOYSA-N -1 0 349.394 3.070 20 30 EGEDRM N#Cc1ccc2c(c1)N(C(=O)c1ccc(C(F)(F)F)cc1[O-])CC2 ZINC000436776761 270051442 /nfs/dbraw/zinc/05/14/42/270051442.db2.gz LXBIGNKEXCEFFM-UHFFFAOYSA-N -1 0 332.281 3.486 20 30 EGEDRM CCCN(C(=O)c1ccc(C#N)c(O)c1)[C@H]1C[C@H](OCC)C1(C)C ZINC000442975270 270052230 /nfs/dbraw/zinc/05/22/30/270052230.db2.gz JSLZWBDDBYVHKY-IRXDYDNUSA-N -1 0 330.428 3.320 20 30 EGEDRM Cc1cc2sc([N-]S(=O)(=O)c3cccc(C#N)c3)nc2cc1F ZINC000481866197 270055841 /nfs/dbraw/zinc/05/58/41/270055841.db2.gz JNJGOPBXAFKUTI-UHFFFAOYSA-N -1 0 347.396 3.416 20 30 EGEDRM CCCCCn1nc(C)cc1[N-]S(=O)(=O)c1cc(C#N)ccc1C ZINC000484434732 267004386 /nfs/dbraw/zinc/00/43/86/267004386.db2.gz DQKZYLLKKZQPDW-UHFFFAOYSA-N -1 0 346.456 3.363 20 30 EGEDRM N#Cc1cc([N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)ccc1F ZINC000185236875 268014400 /nfs/dbraw/zinc/01/44/00/268014400.db2.gz OQDCWTFZHCFNRM-UHFFFAOYSA-N -1 0 333.319 3.119 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)s1 ZINC000442241920 268260051 /nfs/dbraw/zinc/26/00/51/268260051.db2.gz QZCALPSAHCLOQZ-UHFFFAOYSA-N -1 0 334.756 3.352 20 30 EGEDRM N#Cc1cccc([N-]S(=O)(=O)c2cnc3ccc(F)cc3c2)c1 ZINC000436478569 268282529 /nfs/dbraw/zinc/28/25/29/268282529.db2.gz MOWULORDKRVQOU-UHFFFAOYSA-N -1 0 327.340 3.046 20 30 EGEDRM N#CC(=C([O-])c1ccc(COc2ccccc2C#N)o1)c1ccncn1 ZINC000354479945 268283781 /nfs/dbraw/zinc/28/37/81/268283781.db2.gz WQDJFNINRJVIPC-HNNXBMFYSA-N -1 0 344.330 3.010 20 30 EGEDRM CCOc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000435764478 269672205 /nfs/dbraw/zinc/67/22/05/269672205.db2.gz YZPLNSSWKKZAAC-UHFFFAOYSA-N -1 0 330.409 3.375 20 30 EGEDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)c1C ZINC000163387578 301861655 /nfs/dbraw/zinc/86/16/55/301861655.db2.gz ZLUMVMVNTVKUMU-UHFFFAOYSA-N -1 0 349.343 3.023 20 30 EGEDRM N#Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000070270503 307376625 /nfs/dbraw/zinc/37/66/25/307376625.db2.gz DVVATXSDRIPYJA-UHFFFAOYSA-N -1 0 328.727 3.291 20 30 EGEDRM N#Cc1cccc(S(=O)(=O)[N-]c2cccnc2-c2ccccc2)c1 ZINC000164995432 307928799 /nfs/dbraw/zinc/92/87/99/307928799.db2.gz MMQOTQYLMQNKLR-UHFFFAOYSA-N -1 0 335.388 3.421 20 30 EGEDRM Cc1[n-][nH]c(=NC(=O)c2cc3ccccc3cc2OC(F)F)c1C#N ZINC000508479675 312095196 /nfs/dbraw/zinc/09/51/96/312095196.db2.gz XDQXCLDFWFUPEB-UHFFFAOYSA-N -1 0 342.305 3.019 20 30 EGEDRM C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CCC[C@@H]1C(=O)[O-] ZINC000132881214 454373202 /nfs/dbraw/zinc/37/32/02/454373202.db2.gz MAMIAFSBXXPRFH-NEPJUHHUSA-N -1 0 327.833 3.417 20 30 EGEDRM CC(C)n1cc(C#N)c(=NC(=O)c2coc(C3CCCCC3)n2)[n-]1 ZINC000548271291 314988025 /nfs/dbraw/zinc/98/80/25/314988025.db2.gz DPSFMLVTOLMGDI-UHFFFAOYSA-N -1 0 327.388 3.046 20 30 EGEDRM CCc1nc(SCc2cccc(C(=O)OC)c2C#N)[nH]c(=O)c1C ZINC000563438578 316021807 /nfs/dbraw/zinc/02/18/07/316021807.db2.gz HLMOGLQSNFRVMG-UHFFFAOYSA-N -1 0 343.408 3.004 20 30 EGEDRM CC[C@@H](C)n1ncc2c1nc(/C=C\c1cc(C#N)n(C)c1)cc2C(=O)[O-] ZINC000572606047 317364031 /nfs/dbraw/zinc/36/40/31/317364031.db2.gz CABIVSJDGKEGKL-FOQNGQEVSA-N -1 0 349.394 3.481 20 30 EGEDRM CC(C)n1cc(C#N)c(=NC(=O)[C@H](C)Cc2cncc3ccccc32)[n-]1 ZINC000573215839 317453339 /nfs/dbraw/zinc/45/33/39/317453339.db2.gz CJOKDWLRAZPEOI-CQSZACIVSA-N -1 0 347.422 3.123 20 30 EGEDRM COC[C@H](C)Oc1cccc(-c2cccc(OCC(=O)[O-])c2C#N)c1 ZINC000579253278 325085254 /nfs/dbraw/zinc/08/52/54/325085254.db2.gz NZFXPJBRWAPCFA-ZDUSSCGKSA-N -1 0 341.363 3.102 20 30 EGEDRM Cc1cc2cc([N-]S(=O)(=O)c3ccc(C#N)cc3F)ccc2[nH]1 ZINC000158030687 455260972 /nfs/dbraw/zinc/26/09/72/455260972.db2.gz OUGQITOROLOTLU-UHFFFAOYSA-N -1 0 329.356 3.288 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3ncsc3c2)c(F)c1 ZINC000158047046 455263306 /nfs/dbraw/zinc/26/33/06/455263306.db2.gz BVHMQHPRSBTWNG-UHFFFAOYSA-N -1 0 333.369 3.108 20 30 EGEDRM C[C@H]1CN(c2c(C#N)cnc3c(Cl)cccc32)CC[C@@H]1C(=O)[O-] ZINC000600800551 460609815 /nfs/dbraw/zinc/60/98/15/460609815.db2.gz MMLAJVMNDPJRMM-JQWIXIFHSA-N -1 0 329.787 3.307 20 30 EGEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1ccccc1OC(F)(F)F ZINC000029188186 453827168 /nfs/dbraw/zinc/82/71/68/453827168.db2.gz SRZVAJUUWGYMQS-UHFFFAOYSA-N -1 0 342.298 3.258 20 30 EGEDRM Cc1cccc2sc([N-]S(=O)(=O)c3ccc(C#N)cc3)nc21 ZINC000067744246 453962213 /nfs/dbraw/zinc/96/22/13/453962213.db2.gz HQLFMWWTTHMGRA-UHFFFAOYSA-N -1 0 329.406 3.277 20 30 EGEDRM C=CCCO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000067801278 453967626 /nfs/dbraw/zinc/96/76/26/453967626.db2.gz HNKIRSPSANUEJK-SECBINFHSA-N -1 0 335.784 3.106 20 30 EGEDRM N#CC(=C([O-])c1nn(-c2ccccc2)c2c1CCC2)c1ccccn1 ZINC000041492052 453969407 /nfs/dbraw/zinc/96/94/07/453969407.db2.gz RQMMHQDHXRFVHQ-MRXNPFEDSA-N -1 0 328.375 3.246 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2OCC2CC2)cc1 ZINC000076938169 454050874 /nfs/dbraw/zinc/05/08/74/454050874.db2.gz UBMDEXLVHVUWJM-UHFFFAOYSA-N -1 0 328.393 3.148 20 30 EGEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000057125741 454104341 /nfs/dbraw/zinc/10/43/41/454104341.db2.gz IAIMWPITSFPYNB-UHFFFAOYSA-N -1 0 338.335 3.036 20 30 EGEDRM COc1ccc([N+](=O)[O-])cc1C([O-])=C(C#N)c1cnc2ccccc2n1 ZINC000190922659 455406943 /nfs/dbraw/zinc/40/69/43/455406943.db2.gz NWTQNAYWXUAACF-ZDUSSCGKSA-N -1 0 348.318 3.037 20 30 EGEDRM CCCCS[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000058225144 454172928 /nfs/dbraw/zinc/17/29/28/454172928.db2.gz QZSBXKJXLBJGQN-NSHDSACASA-N -1 0 326.443 3.125 20 30 EGEDRM N#Cc1nc(NC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2Cl)[n-]c1C#N ZINC000095393140 454202134 /nfs/dbraw/zinc/20/21/34/454202134.db2.gz BIYSYZAPOCSBBP-NXEZZACHSA-N -1 0 346.177 3.202 20 30 EGEDRM CC(C)(C)c1ccc(O)c([N-]S(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000078276125 454222223 /nfs/dbraw/zinc/22/22/23/454222223.db2.gz RLKNOEKEUIZTDZ-UHFFFAOYSA-N -1 0 330.409 3.362 20 30 EGEDRM CC(C)=CC(=O)[N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000071883903 454242021 /nfs/dbraw/zinc/24/20/21/454242021.db2.gz SGFRMBKPUNISFC-UHFFFAOYSA-N -1 0 325.283 3.456 20 30 EGEDRM CCSCc1ccnc([N-]S(=O)(=O)c2cc(C#N)ccc2C)c1 ZINC000090367913 454297681 /nfs/dbraw/zinc/29/76/81/454297681.db2.gz XMHJLIPCTSYPNT-UHFFFAOYSA-N -1 0 347.465 3.316 20 30 EGEDRM COc1ccsc1S(=O)(=O)[N-]c1ccc(C(C)(C)C#N)cc1 ZINC000120795631 454348332 /nfs/dbraw/zinc/34/83/32/454348332.db2.gz TWIQSGKEHASVBW-UHFFFAOYSA-N -1 0 336.438 3.359 20 30 EGEDRM CNC(=O)C(C#N)=C([O-])c1ccc(-c2ccc(F)cc2C)c(F)c1 ZINC000101170023 454469813 /nfs/dbraw/zinc/46/98/13/454469813.db2.gz PGBGUYHABWAVAM-HNNXBMFYSA-N -1 0 328.318 3.009 20 30 EGEDRM CSc1ccc(C(O)=C(C#N)c2nnc3n2CCCCC3)cc1 ZINC000122083751 454507312 /nfs/dbraw/zinc/50/73/12/454507312.db2.gz YYHMGNUQWGAELQ-AWEZNQCLSA-N -1 0 326.425 3.216 20 30 EGEDRM Cc1cccc(C([O-])=C(C#N)c2nc3ccccc3n2C)c1[N+](=O)[O-] ZINC000122728709 454563596 /nfs/dbraw/zinc/56/35/96/454563596.db2.gz XGMKMIQNKJSUEN-ZDUSSCGKSA-N -1 0 334.335 3.280 20 30 EGEDRM O=C(C=Cc1ccnc(Cl)c1)[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000092692917 454611709 /nfs/dbraw/zinc/61/17/09/454611709.db2.gz PCFKBCNWODXUBD-LZCJLJQNSA-N -1 0 340.763 3.233 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)nc1 ZINC000051953479 454642824 /nfs/dbraw/zinc/64/28/24/454642824.db2.gz JYLZXRBUDNGVKR-UHFFFAOYSA-N -1 0 334.209 3.122 20 30 EGEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)n(CCC#N)n1 ZINC000066247959 454671091 /nfs/dbraw/zinc/67/10/91/454671091.db2.gz RWCCFQQUYMEHIJ-UHFFFAOYSA-N -1 0 346.456 3.204 20 30 EGEDRM N#Cc1nc(NC(=O)CCCc2ccc(Cl)c(Cl)c2)[n-]c1C#N ZINC000052557376 454684099 /nfs/dbraw/zinc/68/40/99/454684099.db2.gz ZXSUZKZCQQJIKC-UHFFFAOYSA-N -1 0 348.193 3.421 20 30 EGEDRM CCOc1ccc([N-]S(=O)(=O)c2cccc(C)c2C#N)cc1F ZINC000137296125 454775799 /nfs/dbraw/zinc/77/57/99/454775799.db2.gz VODWSNLVPHCYCU-UHFFFAOYSA-N -1 0 334.372 3.205 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccn2)c(Cl)c1 ZINC000169276807 454930249 /nfs/dbraw/zinc/93/02/49/454930249.db2.gz FBRVXOSUIGZQEW-UHFFFAOYSA-N -1 0 328.180 3.061 20 30 EGEDRM CC(C)NC(=O)c1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)cc1 ZINC000179489525 455052142 /nfs/dbraw/zinc/05/21/42/455052142.db2.gz FDRNNNUCXHAIBH-HNNXBMFYSA-N -1 0 347.374 3.456 20 30 EGEDRM N#CCCCOc1cccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1 ZINC000129875551 455131270 /nfs/dbraw/zinc/13/12/70/455131270.db2.gz MCOKNTIHJFFVAW-UHFFFAOYSA-N -1 0 341.323 3.235 20 30 EGEDRM N#CC(=C([O-])c1occc1Br)c1cnc2ccccc2n1 ZINC000190915855 455405396 /nfs/dbraw/zinc/40/53/96/455405396.db2.gz SIQXZUPNBTWWBJ-VIFPVBQESA-N -1 0 342.152 3.475 20 30 EGEDRM C=CCN(Cc1ccccc1)C(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1 ZINC000174598940 455406508 /nfs/dbraw/zinc/40/65/08/455406508.db2.gz DWXFNXMLPNDJPK-UHFFFAOYSA-N -1 0 347.418 3.302 20 30 EGEDRM CC(C)CCOc1ccc(S(=O)(=O)[N-]c2ncccc2C#N)cc1 ZINC000191107126 455444300 /nfs/dbraw/zinc/44/43/00/455444300.db2.gz GSCSKSRIEUUSAB-UHFFFAOYSA-N -1 0 345.424 3.179 20 30 EGEDRM C=C(C)C[C@H](C)C(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)[O-] ZINC000192902370 455714847 /nfs/dbraw/zinc/71/48/47/455714847.db2.gz RUFPWQUDAWBOPH-MEDUHNTESA-N -1 0 332.375 3.021 20 30 EGEDRM COc1ncccc1C([O-])=C(C#N)c1nc2ccccc2n1C(F)F ZINC000193283078 455750000 /nfs/dbraw/zinc/75/00/00/455750000.db2.gz OZZRMXJFJUEFSK-LLVKDONJSA-N -1 0 342.305 3.325 20 30 EGEDRM COc1ccc([C@@H]([N-]C(=O)C(F)C(F)(F)F)C(F)(F)F)cc1 ZINC000278430710 455836220 /nfs/dbraw/zinc/83/62/20/455836220.db2.gz RPBOSMOKCFJRDE-RKDXNWHRSA-N -1 0 333.203 3.315 20 30 EGEDRM CC(C)(C)c1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1O ZINC000187083450 455869014 /nfs/dbraw/zinc/86/90/14/455869014.db2.gz BBVZFIKZOOONQR-UHFFFAOYSA-N -1 0 330.409 3.362 20 30 EGEDRM N#CCc1ccccc1S(=O)(=O)[N-]c1ccccc1OCC1CC1 ZINC000279857965 455876070 /nfs/dbraw/zinc/87/60/70/455876070.db2.gz FLGOUVIRYDPLLB-UHFFFAOYSA-N -1 0 342.420 3.342 20 30 EGEDRM C=CCCO[C@H](C)C(=O)N[C@H](C[C@@H]1CCCc2ccccc21)C(=O)[O-] ZINC000262911704 456068130 /nfs/dbraw/zinc/06/81/30/456068130.db2.gz DNZZLWQBAWUROU-UWWQBHOKSA-N -1 0 345.439 3.047 20 30 EGEDRM CC(=O)N(Cc1ccc(NC(=O)c2ccc(C#N)c([O-])c2)cc1)C1CC1 ZINC000188526182 456079020 /nfs/dbraw/zinc/07/90/20/456079020.db2.gz BHWCHZWCSRJKRT-UHFFFAOYSA-N -1 0 349.390 3.027 20 30 EGEDRM C=CCn1c(C)cc(C(=O)CN(CC(=O)[O-])c2ccccc2)c1C ZINC000263563226 456169045 /nfs/dbraw/zinc/16/90/45/456169045.db2.gz DFFZILMZZUOYBL-UHFFFAOYSA-N -1 0 326.396 3.065 20 30 EGEDRM CC(C)[C@H]1CCc2c(C#N)c(NC(=O)c3cnccn3)sc2C1 ZINC000297773004 456291876 /nfs/dbraw/zinc/29/18/76/456291876.db2.gz MWTGOHPMEFDDGS-NSHDSACASA-N -1 0 326.425 3.423 20 30 EGEDRM C=CCOc1ccccc1C(=O)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC000327100534 456703260 /nfs/dbraw/zinc/70/32/60/456703260.db2.gz DJOYYDWPARHFCB-UHFFFAOYSA-N -1 0 337.375 3.148 20 30 EGEDRM C=CCOc1ccc(C(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)cc1 ZINC000327162398 456703604 /nfs/dbraw/zinc/70/36/04/456703604.db2.gz XMVQLNUQIJYDPQ-GOSISDBHSA-N -1 0 337.375 3.076 20 30 EGEDRM C[C@@H](NC(=O)CC1CCCCC1)C(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000328788349 456761760 /nfs/dbraw/zinc/76/17/60/456761760.db2.gz KAWVQBRDTAGHKM-GFCCVEGCSA-N -1 0 330.432 3.030 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(CC(F)(F)F)cc2)o1 ZINC000340947356 456776959 /nfs/dbraw/zinc/77/69/59/456776959.db2.gz GWVUFFUNKOZTNR-UHFFFAOYSA-N -1 0 330.287 3.057 20 30 EGEDRM CCCn1ccc2ccc([N-]S(=O)(=O)c3ccc(C#N)o3)cc21 ZINC000340950714 456779500 /nfs/dbraw/zinc/77/95/00/456779500.db2.gz JTSIYKOPSOCABB-UHFFFAOYSA-N -1 0 329.381 3.317 20 30 EGEDRM O=C(N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000329145126 456842537 /nfs/dbraw/zinc/84/25/37/456842537.db2.gz NLMFDKGHNVDXRM-DMDPSCGWSA-N -1 0 342.399 3.100 20 30 EGEDRM Cc1ncoc1C([O-])=C(C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000349291360 456933929 /nfs/dbraw/zinc/93/39/29/456933929.db2.gz ZBUSLOBLNJHMAK-ZDUSSCGKSA-N -1 0 334.360 3.468 20 30 EGEDRM N#Cc1c(Br)cccc1S(=O)(=O)[N-]c1ccccc1 ZINC000339201941 456989047 /nfs/dbraw/zinc/98/90/47/456989047.db2.gz PCSRHSUKFSAQNP-UHFFFAOYSA-N -1 0 337.198 3.122 20 30 EGEDRM C=CCOc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2F)cc1OC ZINC000346020176 457012205 /nfs/dbraw/zinc/01/22/05/457012205.db2.gz TWUOBHRPUKGZAG-UHFFFAOYSA-N -1 0 345.326 3.350 20 30 EGEDRM N#Cc1cccc([N-]S(=O)(=O)c2ccccc2-c2ccno2)c1 ZINC000354242678 457151137 /nfs/dbraw/zinc/15/11/37/457151137.db2.gz YIYMHGNAAYDPGS-UHFFFAOYSA-N -1 0 325.349 3.014 20 30 EGEDRM CCCc1c(C([O-])=C(C#N)c2ccncn2)cnn1-c1ccccc1 ZINC000354472906 457246469 /nfs/dbraw/zinc/24/64/69/457246469.db2.gz VQESQQIEVVQZCA-OAHLLOKOSA-N -1 0 331.379 3.105 20 30 EGEDRM CN(c1ccccc1)c1ccc(C([O-])=C(C#N)c2ccncn2)cn1 ZINC000354478500 457249132 /nfs/dbraw/zinc/24/91/32/457249132.db2.gz VDKHZVBRYBUNBI-INIZCTEOSA-N -1 0 329.363 3.130 20 30 EGEDRM Cc1nnc2ccc(C([O-])=C(C#N)c3nc(C(C)C)cs3)cn12 ZINC000352113637 457338656 /nfs/dbraw/zinc/33/86/56/457338656.db2.gz LODMUKXFRQOFOA-GFCCVEGCSA-N -1 0 325.397 3.108 20 30 EGEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3cncnc3)n2)cc1 ZINC000355229322 457349278 /nfs/dbraw/zinc/34/92/78/457349278.db2.gz NOMIKOVOIOZEEG-AWEZNQCLSA-N -1 0 336.376 3.099 20 30 EGEDRM N#Cc1ccccc1Sc1ccc(C(=O)N=c2cccn[n-]2)cc1 ZINC000360798382 457359229 /nfs/dbraw/zinc/35/92/29/457359229.db2.gz QZXGFWHGQLNNRV-UHFFFAOYSA-N -1 0 332.388 3.174 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)c2cc(C)nc(C)n2)nn1-c1ccc(F)cc1 ZINC000347341951 457363704 /nfs/dbraw/zinc/36/37/04/457363704.db2.gz RDQVAOAYLMHCOM-INIZCTEOSA-N -1 0 349.369 3.217 20 30 EGEDRM C=C(C)COCCNC(=O)c1nn(-c2ccc(C(C)C)cc2)cc1[O-] ZINC000355661949 457399382 /nfs/dbraw/zinc/39/93/82/457399382.db2.gz AFCTYOVOXGILTJ-UHFFFAOYSA-N -1 0 343.427 3.024 20 30 EGEDRM Cc1cc(C(=O)N=c2[nH][n-]c(C)c2C#N)c(C)n1C1CCCCC1 ZINC000357246192 457399347 /nfs/dbraw/zinc/39/93/47/457399347.db2.gz RSPPMKWJHGTPLX-UHFFFAOYSA-N -1 0 325.416 3.188 20 30 EGEDRM Cc1ccc2cccc([N-]S(=O)(=O)c3ccccc3CC#N)c2n1 ZINC000355836195 457421499 /nfs/dbraw/zinc/42/14/99/457421499.db2.gz AEROWUCXEIJDDL-UHFFFAOYSA-N -1 0 337.404 3.410 20 30 EGEDRM CN(C)c1c(Cl)cccc1[N-]S(=O)(=O)c1ccccc1CC#N ZINC000355867247 457424528 /nfs/dbraw/zinc/42/45/28/457424528.db2.gz LWSDSFCDRSUHDB-UHFFFAOYSA-N -1 0 349.843 3.273 20 30 EGEDRM N#CC[C@@H](CC(=O)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1)c1ccccc1 ZINC000356023966 457440027 /nfs/dbraw/zinc/44/00/27/457440027.db2.gz MLWVTZMZPBUEKV-AWEZNQCLSA-N -1 0 347.378 3.203 20 30 EGEDRM CSc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2C#N)n1 ZINC000342669477 457443096 /nfs/dbraw/zinc/44/30/96/457443096.db2.gz TVWPDXPPSDXLRI-UHFFFAOYSA-N -1 0 339.829 3.129 20 30 EGEDRM C=CC[C@H](CC)NS(=O)(=O)c1ccc(Br)c(F)c1 ZINC000393791158 457467255 /nfs/dbraw/zinc/46/72/55/457467255.db2.gz XZZLVRVYNITMKG-VIFPVBQESA-N -1 0 336.226 3.221 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2C#N)cn1 ZINC000357366950 457474988 /nfs/dbraw/zinc/47/49/88/457474988.db2.gz FPLZCXRIOVKOPE-UHFFFAOYSA-N -1 0 341.314 3.081 20 30 EGEDRM C=CCCC[C@@H](C)NC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000398238907 457496007 /nfs/dbraw/zinc/49/60/07/457496007.db2.gz XUQKCHQPZPVGCM-DYVFJYSZSA-N -1 0 343.427 3.208 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)N[C@H](C)c2ccc(F)c(C)c2)cc1C#N ZINC000434335205 457978508 /nfs/dbraw/zinc/97/85/08/457978508.db2.gz UOJXTSUJRBPOQR-SNVBAGLBSA-N -1 0 345.399 3.319 20 30 EGEDRM C=C(C)C[C@H](C)C(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000375600662 457986129 /nfs/dbraw/zinc/98/61/29/457986129.db2.gz ZDJRLUMBEYJOIY-LBPRGKRZSA-N -1 0 326.396 3.353 20 30 EGEDRM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1cccc(C#N)c1C ZINC000434633132 458027589 /nfs/dbraw/zinc/02/75/89/458027589.db2.gz DUMBDJVYKINXQT-UHFFFAOYSA-N -1 0 330.409 3.293 20 30 EGEDRM CC(C)(C)c1cccc([N-]S(=O)(=O)c2ccc(C#N)s2)c1O ZINC000435488966 458154729 /nfs/dbraw/zinc/15/47/29/458154729.db2.gz HKTGFESHXZCPNH-UHFFFAOYSA-N -1 0 336.438 3.424 20 30 EGEDRM CCCOc1cccnc1C([O-])=C(C#N)c1cnc2ccccc2n1 ZINC000429206890 458291802 /nfs/dbraw/zinc/29/18/02/458291802.db2.gz VZTYIHSQOCAEJT-CYBMUJFWSA-N -1 0 332.363 3.304 20 30 EGEDRM C[C@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1cccn1C ZINC000414374088 458318168 /nfs/dbraw/zinc/31/81/68/458318168.db2.gz NUJOVEBCMJIOMP-GFCCVEGCSA-N -1 0 335.454 3.220 20 30 EGEDRM C=CCCCS(=O)(=O)[N-]c1cccc(OC(F)(F)F)c1C#N ZINC000414470800 458319813 /nfs/dbraw/zinc/31/98/13/458319813.db2.gz NCTTWUILMBGJBW-UHFFFAOYSA-N -1 0 334.319 3.165 20 30 EGEDRM C=C[C@H]1CCCCN1C(=O)c1cc(F)cc(Br)c1[O-] ZINC000416217972 458341009 /nfs/dbraw/zinc/34/10/09/458341009.db2.gz DPWUDNDCPLTJHM-JTQLQIEISA-N -1 0 328.181 3.475 20 30 EGEDRM Cc1ccc(-c2[n-][nH]c(=NC(=O)[C@H](C#N)CCc3ccccc3)c2C)o1 ZINC000416252522 458341376 /nfs/dbraw/zinc/34/13/76/458341376.db2.gz PEERZDCOAGIMKF-INIZCTEOSA-N -1 0 348.406 3.420 20 30 EGEDRM C=C(C)CNC(=O)N=c1[n-]nc(-c2c(F)cccc2Cl)s1 ZINC000429570932 458347999 /nfs/dbraw/zinc/34/79/99/458347999.db2.gz XPFPGRBETBXTPY-UHFFFAOYSA-N -1 0 326.784 3.117 20 30 EGEDRM C=CCC[C@H](NC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)C(=O)[O-] ZINC000448997049 458418369 /nfs/dbraw/zinc/41/83/69/458418369.db2.gz UEXOBVVCHXWCAE-KRWDZBQOSA-N -1 0 326.396 3.196 20 30 EGEDRM N#CC(=C([O-])c1ccc(-c2nc[nH]n2)cc1)c1nc2ccccc2o1 ZINC000430650868 458475725 /nfs/dbraw/zinc/47/57/25/458475725.db2.gz DTGZLOSNBVFLAK-ZDUSSCGKSA-N -1 0 329.319 3.103 20 30 EGEDRM Cc1ncc(C([O-])=C(C#N)c2nc3ccccc3n2C)c(C2CC2)n1 ZINC000547387203 458730757 /nfs/dbraw/zinc/73/07/57/458730757.db2.gz KETBXUPTBSQJAW-CYBMUJFWSA-N -1 0 331.379 3.039 20 30 EGEDRM COc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2F)ccc1Cl ZINC000515748453 458811966 /nfs/dbraw/zinc/81/19/66/458811966.db2.gz DPPOAHUUXDXIJX-UHFFFAOYSA-N -1 0 340.763 3.160 20 30 EGEDRM COc1cc([N-]S(=O)(=O)CCC(C)(C)C#N)c(OC)cc1Cl ZINC000550108533 458884545 /nfs/dbraw/zinc/88/45/45/458884545.db2.gz YIAAJFOZTHWTGX-UHFFFAOYSA-N -1 0 346.836 3.039 20 30 EGEDRM Cc1ccc2cccc(S(=O)(=O)[N-]c3ccccc3CC#N)c2n1 ZINC000554658573 458901741 /nfs/dbraw/zinc/90/17/41/458901741.db2.gz LIOPJHTVULLADF-UHFFFAOYSA-N -1 0 337.404 3.410 20 30 EGEDRM N#CCC[C@H](NC(=O)N=c1[n-]nc(C2CC2)s1)c1ccccc1 ZINC000555903530 458918641 /nfs/dbraw/zinc/91/86/41/458918641.db2.gz RJNNQUVWFFJKSA-ZDUSSCGKSA-N -1 0 327.413 3.004 20 30 EGEDRM N#Cc1cccc(S(=O)(=O)[N-]c2cc(-c3cccc(F)c3)on2)c1 ZINC000556092528 458927228 /nfs/dbraw/zinc/92/72/28/458927228.db2.gz YSFIEZDMDPZKIN-UHFFFAOYSA-N -1 0 343.339 3.153 20 30 EGEDRM C=CCOCCCSc1n[n-]c(=NCc2ccc(F)cc2)s1 ZINC000475984738 458975072 /nfs/dbraw/zinc/97/50/72/458975072.db2.gz QKEHARDLRMWBNU-UHFFFAOYSA-N -1 0 339.461 3.396 20 30 EGEDRM CC(=O)Nc1ccc(NC(=O)c2ccc(C#N)c([O-])c2)cc1Cl ZINC000442627739 459017721 /nfs/dbraw/zinc/01/77/21/459017721.db2.gz XBRCJBAFMXKQAN-UHFFFAOYSA-N -1 0 329.743 3.128 20 30 EGEDRM CC(C)[C@H](CNC(=O)N[C@H](CCCC#N)c1ccccc1)C(=O)[O-] ZINC000594529353 459080875 /nfs/dbraw/zinc/08/08/75/459080875.db2.gz RPCUEBPCYFOFKC-JKSUJKDBSA-N -1 0 331.416 3.078 20 30 EGEDRM N#CC(=C([O-])c1cc2n(n1)CCC2)c1nc2ccccc2n1C(F)F ZINC000577826533 459101976 /nfs/dbraw/zinc/10/19/76/459101976.db2.gz JSZCSNZOQXRULC-LLVKDONJSA-N -1 0 341.321 3.064 20 30 EGEDRM Cc1cc(C)cc([C@@H](NC(=O)NCC2(C#N)CCCCC2)C(=O)[O-])c1 ZINC000594691199 459131366 /nfs/dbraw/zinc/13/13/66/459131366.db2.gz RJKYRKYHTHAITQ-MRXNPFEDSA-N -1 0 343.427 3.202 20 30 EGEDRM C=CCCSCCNC(=O)N(CC(=O)[O-])[C@@H](C)c1ccccc1 ZINC000594689948 459131828 /nfs/dbraw/zinc/13/18/28/459131828.db2.gz BRJDVWOJHGKNCG-AWEZNQCLSA-N -1 0 336.457 3.153 20 30 EGEDRM C=CCN(CC1CCCCC1)C(=O)N=c1nc2cc(Cl)ccn2[n-]1 ZINC000558503651 459168149 /nfs/dbraw/zinc/16/81/49/459168149.db2.gz UOPQRICNJIJGDT-UHFFFAOYSA-N -1 0 347.850 3.405 20 30 EGEDRM N#CC(=C([O-])c1cn2c(n1)CCCC2)c1nc(-c2ccncc2)cs1 ZINC000578449927 459202687 /nfs/dbraw/zinc/20/26/87/459202687.db2.gz JIDPLXBKHRZMON-CYBMUJFWSA-N -1 0 349.419 3.228 20 30 EGEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ncn(C(C)(C)C)n2)s1 ZINC000579660764 459249906 /nfs/dbraw/zinc/24/99/06/459249906.db2.gz LBCRTMRCJGUUQW-JTQLQIEISA-N -1 0 331.445 3.277 20 30 EGEDRM C=CCC[C@H](NC(=O)N[C@@H](C)c1nc(C(C)(C)C)cs1)C(=O)[O-] ZINC000560487174 459356913 /nfs/dbraw/zinc/35/69/13/459356913.db2.gz UALSUTLSTJJGPM-QWRGUYRKSA-N -1 0 339.461 3.220 20 30 EGEDRM C=CC[C@@H](CC)NC(=O)N[C@H](C(=O)[O-])c1ccc(OC(F)F)cc1 ZINC000560487203 459357003 /nfs/dbraw/zinc/35/70/03/459357003.db2.gz UPQXNDRJALCFRD-YPMHNXCESA-N -1 0 342.342 3.068 20 30 EGEDRM C=C(C)COc1cccc([N-]S(=O)(=O)c2cc(OC)ccc2O)c1 ZINC000538298566 459371240 /nfs/dbraw/zinc/37/12/40/459371240.db2.gz NRZRGCONPGTFEV-UHFFFAOYSA-N -1 0 349.408 3.157 20 30 EGEDRM Cn1ncc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)c1C1CC1 ZINC000569180554 459408364 /nfs/dbraw/zinc/40/83/64/459408364.db2.gz NLPQBMLHJNZHJQ-NSHDSACASA-N -1 0 334.301 3.201 20 30 EGEDRM CN(CCCC=NN=c1[n-]ncc2ccccc21)C(=O)OC(C)(C)C ZINC000497288274 459516526 /nfs/dbraw/zinc/51/65/26/459516526.db2.gz FZMZKYPZZAOZOD-UHFFFAOYSA-N -1 0 343.431 3.097 20 30 EGEDRM C=C[C@H]1CCCCN1C(=O)N=c1[n-]nc(/C=C\c2ccco2)s1 ZINC000488941053 459555894 /nfs/dbraw/zinc/55/58/94/459555894.db2.gz LDKDDCIFFYETOZ-LAUAKBEESA-N -1 0 330.413 3.296 20 30 EGEDRM CC(C)Cn1ncc(C([O-])=C(C#N)c2ccncn2)c1-c1ccccc1 ZINC000571235845 459566177 /nfs/dbraw/zinc/56/61/77/459566177.db2.gz UYXHMDVYFWWLTC-INIZCTEOSA-N -1 0 345.406 3.486 20 30 EGEDRM C#C[C@@H](N=c1nc([C@H](C)OC)[n-]s1)c1ccc(Cl)cc1F ZINC000491124969 459599488 /nfs/dbraw/zinc/59/94/88/459599488.db2.gz ACGDJPJLGPBFFW-QPUJVOFHSA-N -1 0 325.796 3.246 20 30 EGEDRM CC(C)n1cc(C#N)c(=NC(=O)c2ccc(SC3CC3)cc2)[n-]1 ZINC000543094266 459623465 /nfs/dbraw/zinc/62/34/65/459623465.db2.gz CZHCWYPRQXDUSG-UHFFFAOYSA-N -1 0 326.425 3.264 20 30 EGEDRM C#CCN(Cc1ccc(F)cc1)C(=O)CC1CCC(C(=O)[O-])CC1 ZINC000491683111 459653714 /nfs/dbraw/zinc/65/37/14/459653714.db2.gz WNTLBTZDMXVUFJ-UHFFFAOYSA-N -1 0 331.387 3.069 20 30 EGEDRM C=CCCC[C@H](C)NC(=O)N(CC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000573664910 459713676 /nfs/dbraw/zinc/71/36/76/459713676.db2.gz XJSNMVGSYVVFMF-LBPRGKRZSA-N -1 0 340.370 3.306 20 30 EGEDRM Cc1csc([C@@H](C#N)C(=O)c2ccc(O[C@@H]3CCOC3)cc2)n1 ZINC000584697934 459784133 /nfs/dbraw/zinc/78/41/33/459784133.db2.gz HKPVDJIMGQBZFT-CABCVRRESA-N -1 0 328.393 3.109 20 30 EGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000528914978 459816503 /nfs/dbraw/zinc/81/65/03/459816503.db2.gz SKNULNBGRVVFBJ-OPUXNBCZSA-N -1 0 338.407 3.427 20 30 EGEDRM CC(C)(C)c1csc([N-]S(=O)(=O)c2cccc(CC#N)c2)n1 ZINC000589585779 460105902 /nfs/dbraw/zinc/10/59/02/460105902.db2.gz KNEJEFGBEGRYIY-UHFFFAOYSA-N -1 0 335.454 3.307 20 30 EGEDRM C[C@@H](NC(=O)N=c1nc(C(C)(C)C)[n-]s1)c1cccc(C#N)c1 ZINC000610323751 460121776 /nfs/dbraw/zinc/12/17/76/460121776.db2.gz SENTXHJLQDBTBH-SNVBAGLBSA-N -1 0 329.429 3.012 20 30 EGEDRM CCC(CC)[C@H](NC(=O)N=c1[n-]n(C)cc1C#N)c1cccs1 ZINC000610561352 460184164 /nfs/dbraw/zinc/18/41/64/460184164.db2.gz JGMAFOPJSUPJBV-AWEZNQCLSA-N -1 0 331.445 3.074 20 30 EGEDRM C=CCC[C@@H](NC(=O)Nc1ccc(OCC)c(Cl)c1)C(=O)[O-] ZINC000576713650 460200878 /nfs/dbraw/zinc/20/08/78/460200878.db2.gz LFPGXQZNURGMEZ-GFCCVEGCSA-N -1 0 326.780 3.280 20 30 EGEDRM N#CCC[C@@H](NC(=O)C[C@@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000610968006 460268091 /nfs/dbraw/zinc/26/80/91/460268091.db2.gz SMJGDWZERNPZLD-QZTJIDSGSA-N -1 0 336.391 3.406 20 30 EGEDRM N#Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3ccco3)cn2)cc1 ZINC000615111634 460276691 /nfs/dbraw/zinc/27/66/91/460276691.db2.gz PAUGGBPURFQIPO-UHFFFAOYSA-N -1 0 341.348 3.139 20 30 EGEDRM N#Cc1nc(NC(=O)c2ccc3[nH]c4c(c3c2)CCCCC4)[n-]c1C#N ZINC000603594165 460325491 /nfs/dbraw/zinc/32/54/91/460325491.db2.gz LVTVBMSOELSHJZ-UHFFFAOYSA-N -1 0 344.378 3.156 20 30 EGEDRM CCOc1cc(C)ccc1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000619461919 460363296 /nfs/dbraw/zinc/36/32/96/460363296.db2.gz DHGMIHHONLBPDB-UHFFFAOYSA-N -1 0 330.409 3.261 20 30 EGEDRM Cc1c([N-]S(=O)(=O)c2cccc(CC#N)c2)cnn1C1CCCC1 ZINC000619464000 460364138 /nfs/dbraw/zinc/36/41/38/460364138.db2.gz XHOJSOAHOJDEIW-UHFFFAOYSA-N -1 0 344.440 3.174 20 30 EGEDRM CCCOc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000603982465 460367510 /nfs/dbraw/zinc/36/75/10/460367510.db2.gz NBGJFGRSNBFWLN-UHFFFAOYSA-N -1 0 330.409 3.456 20 30 EGEDRM CCc1nocc1C([O-])=C(C#N)c1nc2ccccc2n1C(F)F ZINC000626299900 460469228 /nfs/dbraw/zinc/46/92/28/460469228.db2.gz CVTQSOVSHXTGJC-SECBINFHSA-N -1 0 330.294 3.472 20 30 EGEDRM Cc1csc(NC(=O)[C@](C)(CC(=O)[O-])c2ccsc2)c1C#N ZINC000601982845 460970348 /nfs/dbraw/zinc/97/03/48/460970348.db2.gz NBWVTKUPPROMKR-OAHLLOKOSA-N -1 0 334.422 3.361 20 30 EGEDRM C=CC[C@H]1CCCN(C(=O)c2nn(-c3ccc(F)cc3F)cc2[O-])C1 ZINC000617778530 460974645 /nfs/dbraw/zinc/97/46/45/460974645.db2.gz IRSXTDCDWCGHBJ-LBPRGKRZSA-N -1 0 347.365 3.284 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)CCc1ccccc1C(F)(F)F)C(=O)[O-] ZINC000630322684 461094615 /nfs/dbraw/zinc/09/46/15/461094615.db2.gz UTVLIIYHVPYFJC-CYBMUJFWSA-N -1 0 329.318 3.174 20 30 EGEDRM C=C[C@H](CC(=O)Nc1c(C)nn(CCC(=O)[O-])c1C)c1ccccc1 ZINC000630331813 461097837 /nfs/dbraw/zinc/09/78/37/461097837.db2.gz PFTQLPKBBXWOQI-OAHLLOKOSA-N -1 0 341.411 3.273 20 30 EGEDRM C=C(CNC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1ccccc1 ZINC000655877678 461517648 /nfs/dbraw/zinc/51/76/48/461517648.db2.gz AQPFYUYYWOFFNH-CWRNSKLLSA-N -1 0 330.428 3.134 20 30 EGEDRM CC(=O)Nc1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cc1 ZINC000647371604 461663500 /nfs/dbraw/zinc/66/35/00/461663500.db2.gz UWSHZUSLIMQBFC-AWEZNQCLSA-N -1 0 325.393 3.469 20 30 EGEDRM C=CCC[C@@H](NC(=O)N[C@@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000654803268 462387547 /nfs/dbraw/zinc/38/75/47/462387547.db2.gz YKHSCSPVSVPKGW-GXFFZTMASA-N -1 0 344.333 3.485 20 30 EGEDRM CCn1nccc1C([O-])=C(C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000124722376 546747206 /nfs/dbraw/zinc/74/72/06/546747206.db2.gz LMTHXOXPKUAAOP-CQSZACIVSA-N -1 0 347.403 3.388 20 30 EGEDRM CCC(CC)n1nccc1C([O-])=C(C#N)c1nc2[nH]ccc(C)c-2n1 ZINC000676324919 549070477 /nfs/dbraw/zinc/07/04/77/549070477.db2.gz VGZWSXUTCCGBPG-ZDUSSCGKSA-N -1 0 336.399 3.314 20 30 EGEDRM Cn1cc(C([O-])=C(C#N)c2ccc3ccccc3n2)c(C(F)F)n1 ZINC000677234248 549233675 /nfs/dbraw/zinc/23/36/75/549233675.db2.gz SFXFKQQDLQLLFM-LLVKDONJSA-N -1 0 326.306 3.396 20 30 EGEDRM CCCn1cc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)nn1 ZINC000678028103 549379630 /nfs/dbraw/zinc/37/96/30/549379630.db2.gz LNRCLUCUXHAENR-JTQLQIEISA-N -1 0 345.815 3.441 20 30 EGEDRM COC(=O)N1CCC[C@H](/N=C\c2cc(Cl)cc(Cl)c2[O-])C1 ZINC000726429516 574552782 /nfs/dbraw/zinc/55/27/82/574552782.db2.gz OXZYKWJVZVKOQR-XAXWUXFESA-N -1 0 331.199 3.349 20 30 EGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)c1cn2ccccc2n1 ZINC000729066753 574810256 /nfs/dbraw/zinc/81/02/56/574810256.db2.gz BYKQZHQVPDAUMA-AWEZNQCLSA-N -1 0 342.358 3.329 20 30 EGEDRM C[C@H](Oc1cccc(/C=C2/COc3ccc(F)cc3C2=O)c1)C(=O)[O-] ZINC000731564854 575080798 /nfs/dbraw/zinc/08/07/98/575080798.db2.gz AYHANSZUWIKPLK-HKMIMPICSA-N -1 0 342.322 3.336 20 30 EGEDRM C[C@@H]1c2c(c(O)ccc2F)C(=O)/C1=C/c1cccc(OCC(=O)[O-])c1 ZINC000733206803 575320533 /nfs/dbraw/zinc/32/05/33/575320533.db2.gz QNQFCIIGFOHMIJ-XNFYSYIQSA-N -1 0 342.322 3.378 20 30 EGEDRM Cc1cc([N-]S(=O)(=O)c2cccc(Cl)c2C#N)ccc1N(C)C ZINC000733868458 575404786 /nfs/dbraw/zinc/40/47/86/575404786.db2.gz HIASAKAENZPBAX-UHFFFAOYSA-N -1 0 349.843 3.387 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@@H](C)c2cccs2)n1 ZINC000738782279 575422166 /nfs/dbraw/zinc/42/21/66/575422166.db2.gz IUEPWEBQZDRAGZ-QWRGUYRKSA-N -1 0 334.422 3.036 20 30 EGEDRM COc1ncc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)cn1 ZINC000734080557 575433483 /nfs/dbraw/zinc/43/34/83/575433483.db2.gz VRQQVWAQZRCEED-ZDUSSCGKSA-N -1 0 336.376 3.099 20 30 EGEDRM C=CCN1C(=O)N[C@@H](c2csc(C(C)(C)C)n2)C(C(=O)[O-])=C1C ZINC000736106487 575897031 /nfs/dbraw/zinc/89/70/31/575897031.db2.gz DNHQZGBPRVHCSL-LBPRGKRZSA-N -1 0 335.429 3.052 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1ncoc1C(C)C ZINC000736114149 575900696 /nfs/dbraw/zinc/90/06/96/575900696.db2.gz IGCWLPIUHUAXQQ-UHFFFAOYSA-N -1 0 345.351 3.453 20 30 EGEDRM CC(C)(C)C(=O)C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000736232220 575917785 /nfs/dbraw/zinc/91/77/85/575917785.db2.gz MGCWKAFDVXHCOF-UHFFFAOYSA-N -1 0 349.386 3.338 20 30 EGEDRM C[C@H](SCc1noc(CCCC(=O)[O-])n1)c1ccc(C#N)cc1 ZINC000736712864 576011708 /nfs/dbraw/zinc/01/17/08/576011708.db2.gz PLGDWLKMLDOHQB-NSHDSACASA-N -1 0 331.397 3.343 20 30 EGEDRM CC[C@H](C(=O)[O-])N(C(=O)c1ccccc1OCC#N)c1ccccc1 ZINC000736851244 576048275 /nfs/dbraw/zinc/04/82/75/576048275.db2.gz NNFIVXAFMGHZTH-MRXNPFEDSA-N -1 0 338.363 3.099 20 30 EGEDRM CCc1ccc(CCC(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000737260675 576150080 /nfs/dbraw/zinc/15/00/80/576150080.db2.gz WTTFXLVXUVVITL-LJQANCHMSA-N -1 0 337.375 3.422 20 30 EGEDRM CN(C(=O)CSc1ccc(C#N)cc1F)c1ccccc1C(=O)[O-] ZINC000737324800 576206027 /nfs/dbraw/zinc/20/60/27/576206027.db2.gz FZSZKETUDAPWLC-UHFFFAOYSA-N -1 0 344.367 3.151 20 30 EGEDRM CN(C(=O)CSc1ccc(C#N)cc1)c1ccccc1C(=O)[O-] ZINC000737326410 576206441 /nfs/dbraw/zinc/20/64/41/576206441.db2.gz YVYSHZGVAPGFIW-UHFFFAOYSA-N -1 0 326.377 3.012 20 30 EGEDRM C#CCSCCNC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC000737495736 576237967 /nfs/dbraw/zinc/23/79/67/576237967.db2.gz HORSVTKCWYQYLZ-UHFFFAOYSA-N -1 0 334.422 3.087 20 30 EGEDRM COc1ccc(CCNN=Cc2c[nH]c3ccc(C(=O)[O-])cc23)cc1 ZINC000737990663 576278771 /nfs/dbraw/zinc/27/87/71/576278771.db2.gz JUERNBOTLKTXSF-UHFFFAOYSA-N -1 0 337.379 3.041 20 30 EGEDRM Cc1c(N)c(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)ccc1Cl ZINC000738290667 576310850 /nfs/dbraw/zinc/31/08/50/576310850.db2.gz UUHYGWDIMFAUSR-OAHLLOKOSA-N -1 0 344.754 3.085 20 30 EGEDRM N#CCn1c(C(=O)Oc2ccc(NC(=O)[O-])cc2)cc2ccccc21 ZINC000738426128 576324362 /nfs/dbraw/zinc/32/43/62/576324362.db2.gz VALCFCSTKLWWFD-UHFFFAOYSA-N -1 0 335.319 3.474 20 30 EGEDRM N#CCCCOc1cccc(Nc2nccc(C(=O)[O-])c2[N+](=O)[O-])c1 ZINC000738428963 576324771 /nfs/dbraw/zinc/32/47/71/576324771.db2.gz ZLNMABMXCXIPKJ-UHFFFAOYSA-N -1 0 342.311 3.114 20 30 EGEDRM Cc1ccc(N(CCC#N)C(=O)c2ccc(OCC(=O)[O-])cc2)cc1 ZINC000738608256 576341649 /nfs/dbraw/zinc/34/16/49/576341649.db2.gz IVVQJECIAOBCNA-UHFFFAOYSA-N -1 0 338.363 3.019 20 30 EGEDRM Cc1cccc(C)c1N=C1NN=C(c2cc(C(=O)[O-])co2)CS1 ZINC000738689829 576351583 /nfs/dbraw/zinc/35/15/83/576351583.db2.gz RWRQTSOUOUZNCZ-UHFFFAOYSA-N -1 0 329.381 3.323 20 30 EGEDRM Cc1nc(C(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)c[nH]1 ZINC000738843228 576364638 /nfs/dbraw/zinc/36/46/38/576364638.db2.gz ZCEWMQBSJVJPMB-UHFFFAOYSA-N -1 0 345.358 3.068 20 30 EGEDRM Cc1nc(Cl)cc(N=NCc2c[nH]c3ccc(C(=O)[O-])cc23)n1 ZINC000738858497 576365412 /nfs/dbraw/zinc/36/54/12/576365412.db2.gz BWUDRFZDPIDZNU-UHFFFAOYSA-N -1 0 329.747 3.064 20 30 EGEDRM Cn1c2ccccc2nc1[C@H](C#N)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000739013326 576374003 /nfs/dbraw/zinc/37/40/03/576374003.db2.gz ZGMQUYZEQHQXAC-OAHLLOKOSA-N -1 0 347.374 3.081 20 30 EGEDRM N#CCOc1cccc(NC(=O)Nc2ccc(CNC(=O)[O-])cc2)c1 ZINC000739086720 576377406 /nfs/dbraw/zinc/37/74/06/576377406.db2.gz BZEPCAVWDYOTLB-UHFFFAOYSA-N -1 0 340.339 3.001 20 30 EGEDRM N#Cc1ccc([C@@H](Nc2cccc(Cn3cccn3)c2)C(=O)[O-])cc1 ZINC000739112294 576378570 /nfs/dbraw/zinc/37/85/70/576378570.db2.gz YUUHKVAPFSQSBO-GOSISDBHSA-N -1 0 332.363 3.041 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)C[C@@H]2CCc3ccccc3C2)C(=O)[O-])cc1 ZINC000739111445 576378599 /nfs/dbraw/zinc/37/85/99/576378599.db2.gz VLYKGZAETQNIMF-QRWLVFNGSA-N -1 0 349.386 3.422 20 30 EGEDRM N#Cc1ccc([C@@H](Sc2nnc(C3CC3)n2C2CC2)C(=O)[O-])cc1 ZINC000739116673 576378819 /nfs/dbraw/zinc/37/88/19/576378819.db2.gz BWIUJSRZYSINMF-CQSZACIVSA-N -1 0 340.408 3.280 20 30 EGEDRM N#Cc1ccc(SCC(=O)Nc2ccc(CCC(=O)[O-])cc2)cc1 ZINC000739132382 576379325 /nfs/dbraw/zinc/37/93/25/576379325.db2.gz NFZKNKCCCSUUGC-UHFFFAOYSA-N -1 0 340.404 3.306 20 30 EGEDRM N#Cc1ccc(SCC(=O)Nc2ccc(CNC(=O)[O-])cc2)cc1 ZINC000739132422 576379335 /nfs/dbraw/zinc/37/93/35/576379335.db2.gz PWKOUMWSTMRCAR-UHFFFAOYSA-N -1 0 341.392 3.057 20 30 EGEDRM O=C([O-])CCOc1cccc(/C=C2/CCc3c(O)cccc3C2=O)c1 ZINC000742435623 576784132 /nfs/dbraw/zinc/78/41/32/576784132.db2.gz WINSEPNMTJBFAO-KAMYIIQDSA-N -1 0 338.359 3.458 20 30 EGEDRM CN(CCC(=O)[O-])C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000818435662 596985889 /nfs/dbraw/zinc/98/58/89/596985889.db2.gz VBCDDAPBXRBMQO-UHFFFAOYSA-N -1 0 339.351 3.289 20 30 EGEDRM CCOC(=O)c1ccc(C#N)c(SCc2ccc(C(=O)[O-])cc2)n1 ZINC000818224414 597301818 /nfs/dbraw/zinc/30/18/18/597301818.db2.gz NGAFVNYWINRNEV-UHFFFAOYSA-N -1 0 342.376 3.120 20 30 EGEDRM N#CCC[C@H](NC(=O)Nc1ccccc1CC(=O)[O-])c1ccccc1 ZINC000821320073 597355489 /nfs/dbraw/zinc/35/54/89/597355489.db2.gz IUQMDAQGHFYPFH-INIZCTEOSA-N -1 0 337.379 3.480 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000819821417 597631453 /nfs/dbraw/zinc/63/14/53/597631453.db2.gz GBRRGPGHSPTCJV-NQIIRXRSSA-N -1 0 348.402 3.165 20 30 EGEDRM C[C@H](NC(=O)NCCC(=O)[O-])c1ccc(-c2cccc(C#N)c2)cc1 ZINC000820122609 597721283 /nfs/dbraw/zinc/72/12/83/597721283.db2.gz WRWAIQADNOKBPM-ZDUSSCGKSA-N -1 0 337.379 3.060 20 30 EGEDRM CCOc1cccc2cc([C@@H](C)NC(=O)[C@@](C)(C#N)CC(=O)[O-])oc21 ZINC000820391676 598223037 /nfs/dbraw/zinc/22/30/37/598223037.db2.gz GWYOPTTXHDZUJT-ADLMAVQZSA-N -1 0 344.367 3.013 20 30 EGEDRM C[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1c(Cl)ccc(F)c1Cl ZINC000820113535 598224681 /nfs/dbraw/zinc/22/46/81/598224681.db2.gz BNOSELOJILDXCT-JKYUHCHBSA-N -1 0 347.173 3.314 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000819857193 598227258 /nfs/dbraw/zinc/22/72/58/598227258.db2.gz UHTUQCUDDSDEKT-IBGZPJMESA-N -1 0 349.346 3.294 20 30 EGEDRM Cc1c(COC(C)(C)C)cccc1NC(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC000820945067 598229655 /nfs/dbraw/zinc/22/96/55/598229655.db2.gz RJWSGFNQFBYOSC-GOSISDBHSA-N -1 0 332.400 3.253 20 30 EGEDRM COc1ccc([C@@H](C)C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000737950448 600617590 /nfs/dbraw/zinc/61/75/90/600617590.db2.gz QUFNTCVQXMUNBZ-SJKOYZFVSA-N -1 0 339.347 3.039 20 30 EGEDRM C=CCn1c(SC/C=C(\C)C(=O)[O-])nnc1-c1ccc(OC)cc1 ZINC000825711314 600726059 /nfs/dbraw/zinc/72/60/59/600726059.db2.gz YYKDVBQUOCHTFU-FMIVXFBMSA-N -1 0 345.424 3.263 20 30 EGEDRM C=CCCO[C@@H](C)C(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1 ZINC000825675826 601077990 /nfs/dbraw/zinc/07/79/90/601077990.db2.gz IGCNBZDBSUBRQC-VIFPVBQESA-N -1 0 326.418 3.059 20 30 EGEDRM O=C([O-])[C@H]1CCCN(C(=O)Nc2ccccc2C#Cc2ccccc2)C1 ZINC000833188648 601147475 /nfs/dbraw/zinc/14/74/75/601147475.db2.gz CPFVRGQPMXMUPI-SFHVURJKSA-N -1 0 348.402 3.415 20 30 EGEDRM CCCC1=C(C(=O)[O-])[C@@H](c2ccc(C#N)s2)NC(=O)N1CC1CC1 ZINC000829246239 601202805 /nfs/dbraw/zinc/20/28/05/601202805.db2.gz ZKLWBQPWVVYJOA-OAHLLOKOSA-N -1 0 345.424 3.235 20 30 EGEDRM COCCCOc1cccc(N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000831705192 601229446 /nfs/dbraw/zinc/22/94/46/601229446.db2.gz ANTUIBJHBFZRPM-GOSISDBHSA-N -1 0 340.379 3.211 20 30 EGEDRM C#CCOc1ccc([C@H](C)OC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000825632326 601238981 /nfs/dbraw/zinc/23/89/81/601238981.db2.gz XOTAGMKCJCBILF-NUEKZKHPSA-N -1 0 330.380 3.194 20 30 EGEDRM N#Cc1cccc([C@H](Nc2ccc(NC(=O)C3CC3)cc2)C(=O)[O-])c1 ZINC000833076139 601299954 /nfs/dbraw/zinc/29/99/54/601299954.db2.gz QQFWHHCLDLBSIM-KRWDZBQOSA-N -1 0 335.363 3.145 20 30 EGEDRM Cc1ccc2cc(C(=O)O[C@H](C(=O)[O-])c3cccc(C#N)c3)[nH]c2c1 ZINC000832961735 601343533 /nfs/dbraw/zinc/34/35/33/601343533.db2.gz ASUGTWSCNBXZJD-KRWDZBQOSA-N -1 0 334.331 3.331 20 30 EGEDRM N#Cc1cccc([C@@H](OC(=O)c2ccc3c(c2)CCCC3)C(=O)[O-])c1 ZINC000833075487 601346015 /nfs/dbraw/zinc/34/60/15/601346015.db2.gz BPLOWFCUPBQMDP-GOSISDBHSA-N -1 0 335.359 3.420 20 30 EGEDRM CC(C)c1ccc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c(O)c1 ZINC000827117340 601350009 /nfs/dbraw/zinc/35/00/09/601350009.db2.gz BMLZSLFWOQCMTC-KRWDZBQOSA-N -1 0 339.347 3.370 20 30 EGEDRM Cc1cc(Cl)c(N)c(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000832885706 601353869 /nfs/dbraw/zinc/35/38/69/601353869.db2.gz LVAYCPKSTUMQGN-OAHLLOKOSA-N -1 0 344.754 3.085 20 30 EGEDRM C/C(=C\c1ccc(F)cc1)C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000825798715 601471772 /nfs/dbraw/zinc/47/17/72/601471772.db2.gz UUTXOBMEUAXQSH-JICACKBISA-N -1 0 339.322 3.470 20 30 EGEDRM Cc1sc(C(=O)[O-])cc1CON=CC(=O)Nc1cccc(F)c1 ZINC000833031895 601630992 /nfs/dbraw/zinc/63/09/92/601630992.db2.gz VGVKLUZHYTWNIY-UHFFFAOYSA-N -1 0 336.344 3.035 20 30 EGEDRM N#Cc1cc(F)c(C(=O)Nc2ccc(Cl)cc2C(=O)[O-])c(F)c1 ZINC000833068855 601670627 /nfs/dbraw/zinc/67/06/27/601670627.db2.gz NYPCGGQSPYRLPJ-UHFFFAOYSA-N -1 0 336.681 3.440 20 30 EGEDRM N#Cc1cccc([C@H](OC(=O)C2(Cc3ccccc3)CC2)C(=O)[O-])c1 ZINC000833075983 601683791 /nfs/dbraw/zinc/68/37/91/601683791.db2.gz PMOSILMOQXMUIS-KRWDZBQOSA-N -1 0 335.359 3.250 20 30 EGEDRM CC[C@@H](NC(=O)c1ccc(Sc2ccccc2C#N)cc1)C(=O)[O-] ZINC000828976600 601752290 /nfs/dbraw/zinc/75/22/90/601752290.db2.gz RJTAREOSBIKBMU-OAHLLOKOSA-N -1 0 340.404 3.302 20 30 EGEDRM C[C@H](C#N)CSc1ccccc1NC(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000825967395 601792011 /nfs/dbraw/zinc/79/20/11/601792011.db2.gz VRNNWBBCSONXQE-JHJVBQTASA-N -1 0 347.440 3.123 20 30 EGEDRM O=C([O-])c1cc(/C=C2\COc3c(Br)cccc3C2=O)c[nH]1 ZINC000833298127 601793498 /nfs/dbraw/zinc/79/34/98/601793498.db2.gz OIDDPPCYWASALX-RUDMXATFSA-N -1 0 348.152 3.134 20 30 EGEDRM COc1cccc2c1C/C(=C\c1ccc(O[C@@H](C)C(=O)[O-])cc1)C2=O ZINC000794699771 601850591 /nfs/dbraw/zinc/85/05/91/601850591.db2.gz CIKUJWKRYBYIJL-LQELWAHVSA-N -1 0 338.359 3.370 20 30 EGEDRM COc1cccc2c1C/C(=C/c1ccc(O[C@H](C)C(=O)[O-])cc1)C2=O ZINC000794699773 601850688 /nfs/dbraw/zinc/85/06/88/601850688.db2.gz CIKUJWKRYBYIJL-XTCQQWIJSA-N -1 0 338.359 3.370 20 30 EGEDRM C[C@H](Oc1ccc(C=NNc2cc(F)c(F)c(F)c2)cc1)C(=O)[O-] ZINC000794914844 602075687 /nfs/dbraw/zinc/07/56/87/602075687.db2.gz NGOSIWJKLKUOMM-VIFPVBQESA-N -1 0 338.285 3.402 20 30 EGEDRM N#Cc1c[nH]c(C(=O)O[C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)c1 ZINC000833067470 602089624 /nfs/dbraw/zinc/08/96/24/602089624.db2.gz DMBRSDMKOREBRX-LBPRGKRZSA-N -1 0 339.134 3.176 20 30 EGEDRM Cc1ccc(O)c(C(=O)/C=C/c2ccc(O[C@H](C)C(=O)[O-])cc2)c1 ZINC000794703548 602112203 /nfs/dbraw/zinc/11/22/03/602112203.db2.gz VQJURHLUOQWXJH-BCRSCGJKSA-N -1 0 326.348 3.449 20 30 EGEDRM C[C@@H](CC(=O)[O-])C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 ZINC000827309728 602144894 /nfs/dbraw/zinc/14/48/94/602144894.db2.gz CPPLFDFCRVCVHT-ZDUSSCGKSA-N -1 0 338.363 3.187 20 30 EGEDRM CC(C)(C#N)c1ccccc1COC(=O)Cc1ccccc1C(=O)[O-] ZINC000833413023 604493932 /nfs/dbraw/zinc/49/39/32/604493932.db2.gz IHPJGBGLIWCRCG-UHFFFAOYSA-N -1 0 337.375 3.472 20 30 EGEDRM N#Cc1ccc([C@H](C(=O)[O-])N2CCc3c(F)cc(F)cc3C2)cc1 ZINC000833072729 604510880 /nfs/dbraw/zinc/51/08/80/604510880.db2.gz YCUATRDMBKJTKW-QGZVFWFLSA-N -1 0 328.318 3.020 20 30 EGEDRM C[C@H](Oc1ccc(CN(CCC#N)Cc2ccco2)cc1)C(=O)[O-] ZINC000833538185 604518334 /nfs/dbraw/zinc/51/83/34/604518334.db2.gz RLJOGUVKDLVFCR-AWEZNQCLSA-N -1 0 328.368 3.047 20 30 EGEDRM Cc1cc([C@@H](C)OC(=O)[C@@H](C)Oc2ccc(C#N)cc2)oc1C(=O)[O-] ZINC000832877056 604555357 /nfs/dbraw/zinc/55/53/57/604555357.db2.gz SCDUEJSCKAUVAH-VXGBXAGGSA-N -1 0 343.335 3.230 20 30 EGEDRM Cc1c(C#N)cccc1NC(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000832849625 604557307 /nfs/dbraw/zinc/55/73/07/604557307.db2.gz MGIBTMMJCCOENJ-DYVFJYSZSA-N -1 0 337.379 3.450 20 30 EGEDRM Cc1cc([C@@H](C)OC(=O)/C=C\c2ccccc2C#N)oc1C(=O)[O-] ZINC000832875159 604560670 /nfs/dbraw/zinc/56/06/70/604560670.db2.gz MTGXPSGEVFYHIA-QDZRJHCZSA-N -1 0 325.320 3.476 20 30 EGEDRM Cc1nc(=O)[nH]c(SCc2ccccc2C(C)(C)C#N)c1C(=O)[O-] ZINC000832842354 604649165 /nfs/dbraw/zinc/64/91/65/604649165.db2.gz AYOKEPIINYDYJT-UHFFFAOYSA-N -1 0 343.408 3.282 20 30 EGEDRM N#CCCCOc1cccc(NC(=O)c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000833065417 604813538 /nfs/dbraw/zinc/81/35/38/604813538.db2.gz BLACFFAZQDRRJG-UHFFFAOYSA-N -1 0 342.326 3.459 20 30 EGEDRM C=CCOc1ccccc1CNC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000825702746 604820437 /nfs/dbraw/zinc/82/04/37/604820437.db2.gz XRNVYFWILYOZRH-UHFFFAOYSA-N -1 0 329.327 3.019 20 30 EGEDRM O=C([O-])COc1cccc(C(=O)OCC#Cc2cccc(Cl)c2)c1 ZINC000833259697 604837975 /nfs/dbraw/zinc/83/79/75/604837975.db2.gz QBCQQEFDJZTESQ-UHFFFAOYSA-N -1 0 344.750 3.012 20 30 EGEDRM C[C@@H](C(=O)[O-])n1cccc1CN=Nc1nc(C(F)(F)F)cs1 ZINC000833404964 605040594 /nfs/dbraw/zinc/04/05/94/605040594.db2.gz AAXXRCGCKBVAHZ-ZETCQYMHSA-N -1 0 332.307 3.055 20 30 EGEDRM CC(C)(C(=O)[O-])[C@H](NC(=O)N1CCC(CC#N)CC1)c1ccccc1 ZINC000833415100 605118501 /nfs/dbraw/zinc/11/85/01/605118501.db2.gz UXSHSUSZNTVAHV-MRXNPFEDSA-N -1 0 343.427 3.174 20 30 EGEDRM C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccccc1C(=O)[O-] ZINC000819713476 605128437 /nfs/dbraw/zinc/12/84/37/605128437.db2.gz OIYSPZLURIDFCN-UHFFFAOYSA-N -1 0 335.363 3.477 20 30 EGEDRM CC1=C(C(=O)[O-])C[C@H](CSc2nc3c(cc2C#N)CCCC3)O1 ZINC000833582680 605234649 /nfs/dbraw/zinc/23/46/49/605234649.db2.gz YEZBYCMGDIYDJM-CYBMUJFWSA-N -1 0 330.409 3.072 20 30 EGEDRM CC(C)N(Cc1ccc(C#N)cc1)C(=O)Cc1ccccc1C(=O)[O-] ZINC000833496662 605239851 /nfs/dbraw/zinc/23/98/51/605239851.db2.gz OMEKUGOWBCHWSQ-UHFFFAOYSA-N -1 0 336.391 3.236 20 30 EGEDRM C=CCCC[C@@H](C)NS(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC000833373764 605248997 /nfs/dbraw/zinc/24/89/97/605248997.db2.gz BVOSCIRZWKAETQ-SNVBAGLBSA-N -1 0 331.821 3.061 20 30 EGEDRM C#CC[C@H](NC(=O)NCC1(C(=O)[O-])CCCCC1)c1ccccc1 ZINC000833360989 605408457 /nfs/dbraw/zinc/40/84/57/605408457.db2.gz UUOIXJBYOINJPD-INIZCTEOSA-N -1 0 328.412 3.085 20 30 EGEDRM C[C@@H]1CC[C@H](C(F)(F)F)CN1Cc1cccc(C(=O)[O-])c1C#N ZINC000833606732 605700991 /nfs/dbraw/zinc/70/09/91/605700991.db2.gz UZGLYHJHXMKJQR-PWSUYJOCSA-N -1 0 326.318 3.419 20 30 EGEDRM CSc1ccc(C(=O)OCC([O-])=C(C#N)c2nc(C)cs2)cc1 ZINC000007936380 1291095173 /nfs/dbraw/zinc/09/51/73/1291095173.db2.gz DNGTUCVBQBZNJO-ZDUSSCGKSA-N -1 0 346.433 3.207 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2c(C)oc(C)c2C)n1 ZINC000008420642 1291103334 /nfs/dbraw/zinc/10/33/34/1291103334.db2.gz PWGZQLCXXJMWHK-LBPRGKRZSA-N -1 0 332.381 3.003 20 30 EGEDRM COc1ccc(/C=C\C(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1OC ZINC000033446728 1291385559 /nfs/dbraw/zinc/38/55/59/1291385559.db2.gz GMELYVVJGGTRIY-UTCJRWHESA-N -1 0 329.308 3.214 20 30 EGEDRM O=C([N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccsc1 ZINC000042241096 1291437404 /nfs/dbraw/zinc/43/74/04/1291437404.db2.gz GPFZOCXZPILGNF-UHFFFAOYSA-N -1 0 346.773 3.003 20 30 EGEDRM CCOc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(C)s2)cc1 ZINC000042247448 1291438328 /nfs/dbraw/zinc/43/83/28/1291438328.db2.gz YFMFYBOCBUPACC-UHFFFAOYSA-N -1 0 325.411 3.149 20 30 EGEDRM COCc1cccc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000042258673 1291438446 /nfs/dbraw/zinc/43/84/46/1291438446.db2.gz NEPYLNGJQWFZRM-UHFFFAOYSA-N -1 0 345.829 3.241 20 30 EGEDRM CCCCS(=O)(=O)[N-]C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000042343261 1291441662 /nfs/dbraw/zinc/44/16/62/1291441662.db2.gz QILBYYCKWZGDSR-UHFFFAOYSA-N -1 0 342.398 3.244 20 30 EGEDRM CC[C@H](C(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000046927707 1291556678 /nfs/dbraw/zinc/55/66/78/1291556678.db2.gz MLKHSACLZFZXMD-ZDUSSCGKSA-N -1 0 348.380 3.434 20 30 EGEDRM Cc1noc(C)c1C(=O)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000048408786 1291603549 /nfs/dbraw/zinc/60/35/49/1291603549.db2.gz UBVRJLAPMSPTND-UHFFFAOYSA-N -1 0 349.195 3.292 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)Oc2cccc(F)c2)cc1 ZINC000048422600 1291604078 /nfs/dbraw/zinc/60/40/78/1291604078.db2.gz BQWBPMOCBGUPQY-LBPRGKRZSA-N -1 0 337.372 3.247 20 30 EGEDRM O=C(CCCOc1ccc(F)cc1)[N-]S(=O)(=O)c1cccs1 ZINC000048448364 1291605486 /nfs/dbraw/zinc/60/54/86/1291605486.db2.gz BBJVBFGGOKWPJM-UHFFFAOYSA-N -1 0 343.401 3.392 20 30 EGEDRM COc1cc(CC(=O)[N-]S(=O)(=O)c2ccc(F)cc2)ccc1C ZINC000048454179 1291605965 /nfs/dbraw/zinc/60/59/65/1291605965.db2.gz NJZBSVFLNBNMBJ-UHFFFAOYSA-N -1 0 337.372 3.031 20 30 EGEDRM Cc1nc(CSc2ccc(C(=O)[N-]S(C)(=O)=O)cc2)cs1 ZINC000048480588 1291607117 /nfs/dbraw/zinc/60/71/17/1291607117.db2.gz PTVYDVULPPSGLZ-UHFFFAOYSA-N -1 0 342.467 3.008 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)CCc2ccc(C#N)cc2)c(C)c1 ZINC000048475819 1291607168 /nfs/dbraw/zinc/60/71/68/1291607168.db2.gz GNNIFLVYXBIDDZ-UHFFFAOYSA-N -1 0 342.420 3.453 20 30 EGEDRM CC(C)Oc1ccc(C(=O)[N-]S(=O)(=O)C=Cc2ccccc2)cn1 ZINC000048531535 1291610267 /nfs/dbraw/zinc/61/02/67/1291610267.db2.gz WBTNBYHXGWNARL-ZHACJKMWSA-N -1 0 346.408 3.174 20 30 EGEDRM N#Cc1cccc(S(=O)(=O)[N-]C(=O)c2ccc3ccccc3c2)c1 ZINC000048599789 1291612064 /nfs/dbraw/zinc/61/20/64/1291612064.db2.gz WBXOTLHVKIYDJQ-UHFFFAOYSA-N -1 0 336.372 3.405 20 30 EGEDRM CCCSCC(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000048614734 1291613190 /nfs/dbraw/zinc/61/31/90/1291613190.db2.gz FOJLDKPSSVYTQJ-UHFFFAOYSA-N -1 0 341.376 3.494 20 30 EGEDRM O=C(COc1ccc2c(c1)CCC2)[N-]S(=O)(=O)C1CCCCC1 ZINC000058070307 1291876670 /nfs/dbraw/zinc/87/66/70/1291876670.db2.gz QOMIHNWUBJORNT-UHFFFAOYSA-N -1 0 337.441 3.173 20 30 EGEDRM COc1cccc(S(=O)(=O)[N-]C(=O)C(C)(C)c2ccccc2)c1 ZINC000058187251 1291882849 /nfs/dbraw/zinc/88/28/49/1291882849.db2.gz GOQHEHRLQOUTQX-UHFFFAOYSA-N -1 0 333.409 3.318 20 30 EGEDRM O=C([N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1ccoc1 ZINC000069641668 1292247079 /nfs/dbraw/zinc/24/70/79/1292247079.db2.gz GHEDHBRXASUGNX-UHFFFAOYSA-N -1 0 326.182 3.341 20 30 EGEDRM CC(C)(C)c1cc(C(=O)[N-]S(=O)(=O)c2ccccc2Cl)[nH]n1 ZINC000075799046 1292410644 /nfs/dbraw/zinc/41/06/44/1292410644.db2.gz AENDRKIEWHVUTM-UHFFFAOYSA-N -1 0 341.820 3.054 20 30 EGEDRM Cc1ccc(-c2ocnc2C(=O)[N-]S(=O)(=O)c2cccs2)cc1 ZINC000076756624 1292440361 /nfs/dbraw/zinc/44/03/61/1292440361.db2.gz OAEXNULQTJFXME-UHFFFAOYSA-N -1 0 348.405 3.405 20 30 EGEDRM Cn1cc(S(=O)(=O)[N-]C(=O)C2CCC(c3ccccc3)CC2)cn1 ZINC000076807551 1292442840 /nfs/dbraw/zinc/44/28/40/1292442840.db2.gz MINFYFRUPDZZEC-UHFFFAOYSA-N -1 0 347.440 3.039 20 30 EGEDRM CC(C)c1csc(C(C#N)=C([O-])c2cnn(-c3ccccc3)n2)n1 ZINC000080451336 1292604193 /nfs/dbraw/zinc/60/41/93/1292604193.db2.gz KYLQKBRJIZNIBR-ZDUSSCGKSA-N -1 0 337.408 3.337 20 30 EGEDRM CC(C)c1ccc(OCC(=O)[N-]S(=O)(=O)C2CCCC2)cc1 ZINC000086055138 1292727525 /nfs/dbraw/zinc/72/75/25/1292727525.db2.gz HZEKAKHKBFFDDF-UHFFFAOYSA-N -1 0 325.430 3.418 20 30 EGEDRM CC(C)Oc1ccc(S(=O)(=O)[N-]C(=O)c2cccs2)cc1 ZINC000091127269 1292822708 /nfs/dbraw/zinc/82/27/08/1292822708.db2.gz OSCRRPDSPZKHND-UHFFFAOYSA-N -1 0 325.411 3.229 20 30 EGEDRM CCCc1nc(C)c(C([O-])=C(C#N)C(=O)NC2CCCCC2)s1 ZINC000105262316 1293031149 /nfs/dbraw/zinc/03/11/49/1293031149.db2.gz PNPYIOZKNQJHQG-ZDUSSCGKSA-N -1 0 333.457 3.175 20 30 EGEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1cc2ccncc2s1 ZINC000835063060 1293197077 /nfs/dbraw/zinc/19/70/77/1293197077.db2.gz ZNILYPJMIJFFFA-ZDUSSCGKSA-N -1 0 327.409 3.068 20 30 EGEDRM C[C@@H]1CCc2c(C([O-])=C(C#N)C(=O)NC3CCCC3)csc2C1 ZINC000119712956 1293284789 /nfs/dbraw/zinc/28/47/89/1293284789.db2.gz SVVVBBLRJAUTSM-BXUZGUMPSA-N -1 0 330.453 3.254 20 30 EGEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1ccc(N2CCCC2)c(F)c1 ZINC000119801086 1293289120 /nfs/dbraw/zinc/28/91/20/1293289120.db2.gz LAUVXMSEALWRNK-UHFFFAOYSA-N -1 0 345.399 3.098 20 30 EGEDRM C#CCCCCCC(=O)[N-]S(=O)(=O)[C@H]1CCCc2ccccc21 ZINC000835591499 1293325006 /nfs/dbraw/zinc/32/50/06/1293325006.db2.gz RDEWKRITLLAIQR-KRWDZBQOSA-N -1 0 333.453 3.094 20 30 EGEDRM CCCc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)cc1 ZINC000120638106 1293331721 /nfs/dbraw/zinc/33/17/21/1293331721.db2.gz SWDSCBLLFQAMDM-UHFFFAOYSA-N -1 0 345.380 3.220 20 30 EGEDRM C=CCn1c(=O)c2ccc(C(=O)N(CC)CC(=C)C)cc2[n-]c1=S ZINC000125003393 1293492245 /nfs/dbraw/zinc/49/22/45/1293492245.db2.gz LICAQZNXEKVARB-UHFFFAOYSA-N -1 0 343.452 3.283 20 30 EGEDRM CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)c2cc(C)c(C)o2)C1=O ZINC000131792560 1293701703 /nfs/dbraw/zinc/70/17/03/1293701703.db2.gz DVQLNGMSLULYBA-GOSISDBHSA-N -1 0 349.431 3.212 20 30 EGEDRM N#Cc1ccccc1OCC(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000158373340 1294203106 /nfs/dbraw/zinc/20/31/06/1294203106.db2.gz BNNBBSWHHLGZAQ-UHFFFAOYSA-N -1 0 325.349 3.006 20 30 EGEDRM O=C(/C=C/c1cc(F)c([O-])c(F)c1)c1cn(-c2ccccc2)nn1 ZINC000165027007 1294354702 /nfs/dbraw/zinc/35/47/02/1294354702.db2.gz VRVRRYSVOKZRSV-VOTSOKGWSA-N -1 0 327.290 3.147 20 30 EGEDRM N#CC(=C([O-])c1cnn(-c2ccc(F)cc2)n1)c1nc2ccccc2o1 ZINC000172661653 1294441314 /nfs/dbraw/zinc/44/13/14/1294441314.db2.gz HPQZBXCWZYZMNJ-CYBMUJFWSA-N -1 0 347.309 3.038 20 30 EGEDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(C#N)ccc1[O-] ZINC000176826276 1294635559 /nfs/dbraw/zinc/63/55/59/1294635559.db2.gz VGDWNFWAGWGSRK-JTQLQIEISA-N -1 0 343.364 3.291 20 30 EGEDRM C#CCCCCC(=O)[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000180754311 1294912611 /nfs/dbraw/zinc/91/26/11/1294912611.db2.gz KAFAHWBEVWDCJU-UHFFFAOYSA-N -1 0 341.432 3.352 20 30 EGEDRM COc1ccc(S(=O)(=O)[N-]c2ccccc2O[C@@H](C)C#N)c(C)c1 ZINC000183125482 1295100151 /nfs/dbraw/zinc/10/01/51/1295100151.db2.gz CMAIPRFFCYRNNR-ZDUSSCGKSA-N -1 0 346.408 3.095 20 30 EGEDRM COc1cc(/C=C2/Oc3cc(F)cc(F)c3C2=O)cc([N+](=O)[O-])c1[O-] ZINC000184349410 1295190929 /nfs/dbraw/zinc/19/09/29/1295190929.db2.gz DSPLHQPOVWGXDC-YIXHJXPBSA-N -1 0 349.245 3.203 20 30 EGEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1cnc(F)cc1C)c1ccccc1 ZINC000870310387 1295804273 /nfs/dbraw/zinc/80/42/73/1295804273.db2.gz WULBFXJJRDAWOC-GDBMZVCRSA-N -1 0 339.370 3.119 20 30 EGEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1ccc(SC(C)C)cc1 ZINC000193353177 1295855952 /nfs/dbraw/zinc/85/59/52/1295855952.db2.gz XMCWGUCQAYSKAE-MRXNPFEDSA-N -1 0 348.468 3.052 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(C(F)(F)F)cc1 ZINC000193367870 1295856178 /nfs/dbraw/zinc/85/61/78/1295856178.db2.gz LECMKZPCFXQNJM-ZDUSSCGKSA-N -1 0 326.318 3.334 20 30 EGEDRM CCCOc1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc1C ZINC000871653870 1296469594 /nfs/dbraw/zinc/46/95/94/1296469594.db2.gz DPWCUQAODUCIJS-FZMUQLTDSA-N -1 0 328.364 3.012 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])c(/C=N\Cc2nc(-c3cccs3)no2)c1 ZINC000254965309 1296483346 /nfs/dbraw/zinc/48/33/46/1296483346.db2.gz LFJNJNMIKQZKKQ-CHHVJCJISA-N -1 0 330.325 3.031 20 30 EGEDRM Cc1c(C[S@@](C)=O)cccc1N=Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000255278961 1296513672 /nfs/dbraw/zinc/51/36/72/1296513672.db2.gz RNKOQAAEHYYVQP-HSZRJFAPSA-N -1 0 332.381 3.238 20 30 EGEDRM CNS(=O)(=O)c1ccc(C)c(N=Cc2cc(Cl)ccc2O)c1 ZINC000255291213 1296515852 /nfs/dbraw/zinc/51/58/52/1296515852.db2.gz KTMWZXKXGLJWPF-UHFFFAOYSA-N -1 0 338.816 3.013 20 30 EGEDRM COc1cc(OC)c(OC)cc1/C=C\C(=O)c1ccc([O-])c(F)c1 ZINC000255388018 1296528654 /nfs/dbraw/zinc/52/86/54/1296528654.db2.gz BZUFOATWVJZFNQ-WAYWQWQTSA-N -1 0 332.327 3.453 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])c(C=Nc2ccc(O[C@@H]3CCOC3)cc2)c1 ZINC000255393684 1296529237 /nfs/dbraw/zinc/52/92/37/1296529237.db2.gz NSPMUIWFSKLPFQ-MRXNPFEDSA-N -1 0 328.324 3.219 20 30 EGEDRM COc1ccc2c(c1)C(=O)/C(=C/c1cc(OC)c([O-])c([N+](=O)[O-])c1)C2 ZINC000255622130 1296553545 /nfs/dbraw/zinc/55/35/45/1296553545.db2.gz AZZSBRDUYOWEOP-LFYBBSHMSA-N -1 0 341.319 3.140 20 30 EGEDRM O=S(=O)([N-]c1nccs1)c1ccc(N=NC2CC[C@@H]3C[C@@H]32)cc1 ZINC000872355281 1296922722 /nfs/dbraw/zinc/92/27/22/1296922722.db2.gz RMAMTOUTQJRJAH-MFKMUULPSA-N -1 0 348.453 3.142 20 30 EGEDRM CC(CCCCCCC(=O)[O-])N=Nc1cc(Br)ncn1 ZINC000872436385 1296958248 /nfs/dbraw/zinc/95/82/48/1296958248.db2.gz BJLZNRNIMLFHJQ-UHFFFAOYSA-N -1 0 343.225 3.452 20 30 EGEDRM CC(C)(SCC(=O)[O-])C(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000872831922 1297131505 /nfs/dbraw/zinc/13/15/05/1297131505.db2.gz QZMGLJOFENOIQY-UHFFFAOYSA-N -1 0 338.454 3.033 20 30 EGEDRM CC(C)C[C@](C)(CC(=O)[O-])C(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000872854594 1297141571 /nfs/dbraw/zinc/14/15/71/1297141571.db2.gz DTNCGFRQXIFEKC-SCLBCKFNSA-N -1 0 332.400 3.443 20 30 EGEDRM CC(C)CN(CCC#N)C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-] ZINC000874230530 1297823136 /nfs/dbraw/zinc/82/31/36/1297823136.db2.gz DFBOJDHJPHZCRC-UHFFFAOYSA-N -1 0 340.379 3.477 20 30 EGEDRM COc1ccc(C(=O)/C=C\c2cncc(Br)c2)c([O-])c1 ZINC000588476475 1298070091 /nfs/dbraw/zinc/07/00/91/1298070091.db2.gz PBBWNPXNLRAUPO-DJWKRKHSSA-N -1 0 334.169 3.454 20 30 EGEDRM CC(C)c1nc(C#N)c([N-]N=c2c3cccc4cccc(c2=O)c34)o1 ZINC000745625703 1298436734 /nfs/dbraw/zinc/43/67/34/1298436734.db2.gz ZOCGCGXJUBLPGW-UHFFFAOYSA-N -1 0 330.347 3.140 20 30 EGEDRM COc1cc(C)cc2c1OC/C(=C\c1ccc([N+](=O)[O-])c([O-])c1)C2=O ZINC000748148725 1298936317 /nfs/dbraw/zinc/93/63/17/1298936317.db2.gz WXXPTVHJRYQRRQ-KPKJPENVSA-N -1 0 341.319 3.276 20 30 EGEDRM O=C(/C=C\c1ccc([N+](=O)[O-])c([O-])c1)c1ccc(-n2cccn2)cc1 ZINC000748146274 1298936779 /nfs/dbraw/zinc/93/67/79/1298936779.db2.gz HJZFPQBVTTYINT-OQFOIZHKSA-N -1 0 335.319 3.382 20 30 EGEDRM COc1ccc2c(c1)O/C(=C/c1cccc(O[C@@H](C)C(=O)[O-])c1)C2=O ZINC000749133417 1299149624 /nfs/dbraw/zinc/14/96/24/1299149624.db2.gz ZIXIGVKUKHNFKS-DTQASYIRSA-N -1 0 340.331 3.163 20 30 EGEDRM CC(C)c1nc(C#N)c(N=NC(C)c2ccc([O-])c([N+](=O)[O-])c2)o1 ZINC000749609091 1299246579 /nfs/dbraw/zinc/24/65/79/1299246579.db2.gz SUORGULXSLIIGI-UHFFFAOYSA-N -1 0 329.316 3.120 20 30 EGEDRM C[C@H](Oc1cccc(/C=C2\Oc3ccc(F)cc3C2=O)c1)C(=O)[O-] ZINC000749746988 1299263311 /nfs/dbraw/zinc/26/33/11/1299263311.db2.gz PYDLODVPSDYXRG-SYEOYNTFSA-N -1 0 328.295 3.294 20 30 EGEDRM [O-]c1c(Cl)cccc1C=NNC(=S)NCCc1cccs1 ZINC000753163021 1299887453 /nfs/dbraw/zinc/88/74/53/1299887453.db2.gz MXYYIQWKGFXDMO-UHFFFAOYSA-N -1 0 339.873 3.148 20 30 EGEDRM Cc1cc(=O)[nH]c(CSc2nc(C)cc(C(F)(F)F)c2C#N)n1 ZINC000754451818 1300145933 /nfs/dbraw/zinc/14/59/33/1300145933.db2.gz RQRPYFDZKFYMLH-UHFFFAOYSA-N -1 0 340.330 3.377 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2cccc(C)c2Cl)n1 ZINC000754991262 1300263845 /nfs/dbraw/zinc/26/38/45/1300263845.db2.gz PSBMNBOYWFUQDO-GFCCVEGCSA-N -1 0 348.811 3.447 20 30 EGEDRM Cc1ccc2ncc(C=NNc3ccc(Cl)c(C(=O)[O-])c3)n2c1 ZINC000755467036 1300343315 /nfs/dbraw/zinc/34/33/15/1300343315.db2.gz MEIMQOFDLIINIJ-UHFFFAOYSA-N -1 0 328.759 3.440 20 30 EGEDRM CC(=O)Nc1ccccc1C=NNc1ccc(Cl)c(C(=O)[O-])c1 ZINC000755467621 1300343343 /nfs/dbraw/zinc/34/33/43/1300343343.db2.gz RLNCBVHMXKUVAW-UHFFFAOYSA-N -1 0 331.759 3.443 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)Cc2cc(Cl)cc3c2OCC3)c1 ZINC000755623283 1300367407 /nfs/dbraw/zinc/36/74/07/1300367407.db2.gz NJFCZNBDNORVRN-UHFFFAOYSA-N -1 0 328.755 3.033 20 30 EGEDRM Cc1ccc(F)c2c1C(=N[N-]c1nc(C(F)(F)F)cs1)C(=O)N2 ZINC000755904304 1300414103 /nfs/dbraw/zinc/41/41/03/1300414103.db2.gz NHPWQEMPPYNCJT-UHFFFAOYSA-N -1 0 344.293 3.378 20 30 EGEDRM N#CCn1cc([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)cn1 ZINC000755966922 1300422209 /nfs/dbraw/zinc/42/22/09/1300422209.db2.gz UODIGKJEPSVECI-UHFFFAOYSA-N -1 0 346.799 3.014 20 30 EGEDRM COc1ccc(C(=O)/C=C/c2ccc(F)c(C#N)c2)cc1CC(=O)[O-] ZINC000756262217 1300459152 /nfs/dbraw/zinc/45/91/52/1300459152.db2.gz RYBQVGLDBSVGNE-ZZXKWVIFSA-N -1 0 339.322 3.229 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1N=NCc1c[nH]c2ccc(F)cc12 ZINC000756898864 1300585681 /nfs/dbraw/zinc/58/56/81/1300585681.db2.gz FEYJKVRTVWXBCN-UHFFFAOYSA-N -1 0 327.315 3.460 20 30 EGEDRM CC(N=Nc1nnc(-c2ccccc2)n1C)c1ccccc1C(=O)[O-] ZINC000757462249 1300672050 /nfs/dbraw/zinc/67/20/50/1300672050.db2.gz ZXEOPMBKEMXZLQ-UHFFFAOYSA-N -1 0 335.367 3.016 20 30 EGEDRM CC(=NNc1cc([N+](=O)[O-])ccc1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000758116825 1300789745 /nfs/dbraw/zinc/78/97/45/1300789745.db2.gz NJTCLUTWUWFBHL-UHFFFAOYSA-N -1 0 330.300 3.353 20 30 EGEDRM COC(=O)[C@@H](C)Oc1ccc(/C=C\C(=O)c2cc(F)ccc2[O-])cc1 ZINC000758432444 1300881722 /nfs/dbraw/zinc/88/17/22/1300881722.db2.gz AYWXFDKSXKTDSL-DJTUGOFGSA-N -1 0 344.338 3.368 20 30 EGEDRM N#Cc1ccc2[nH]c(-c3ccc(OC(F)(F)C(=O)[O-])cc3)nc2c1 ZINC000758439456 1300883523 /nfs/dbraw/zinc/88/35/23/1300883523.db2.gz JQJFYMQXMYUCNN-UHFFFAOYSA-N -1 0 329.262 3.158 20 30 EGEDRM COC(=O)[C@H](C)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2[O-])cc1 ZINC000758435033 1300884437 /nfs/dbraw/zinc/88/44/37/1300884437.db2.gz YTDRKWRCPNZRQF-DJTWPOEFSA-N -1 0 344.338 3.368 20 30 EGEDRM Cn1nc(C(F)(F)F)c(/C=C/C(=O)c2cc(O)ccc2O)c1Cl ZINC000758931044 1300982391 /nfs/dbraw/zinc/98/23/91/1300982391.db2.gz JZWDRIMSENUYCZ-HWKANZROSA-N -1 0 346.692 3.400 20 30 EGEDRM COc1cc2c(cc1/C=C/C(=O)c1ccc(C(=O)[O-])s1)OCO2 ZINC000758931317 1300983196 /nfs/dbraw/zinc/98/31/96/1300983196.db2.gz LUCKVEACAZEDTB-NSCUHMNNSA-N -1 0 332.333 3.080 20 30 EGEDRM O=C(/C=C\c1c(Cl)nc2ccccn12)c1cc([N+](=O)[O-])ccc1[O-] ZINC000759089909 1301013718 /nfs/dbraw/zinc/01/37/18/1301013718.db2.gz IKLNTNYDOSSZQZ-ALCCZGGFSA-N -1 0 343.726 3.498 20 30 EGEDRM CC1(C)CC(=NNc2cnnc([O-])c2Cl)CN1Cc1ccccc1 ZINC000761254699 1301429374 /nfs/dbraw/zinc/42/93/74/1301429374.db2.gz QXWURXRDFZIYNP-UHFFFAOYSA-N -1 0 345.834 3.288 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2ccc(F)c(Cl)c2Cl)C(=O)O1 ZINC000761473921 1301479163 /nfs/dbraw/zinc/47/91/63/1301479163.db2.gz JJAFRKZTUGXRGW-FHMRSRPSSA-N -1 0 343.137 3.361 20 30 EGEDRM O=C1Nc2c(c(Cl)ccc2F)C1=N[N-]c1ncnc2ccsc21 ZINC000764835514 1302146487 /nfs/dbraw/zinc/14/64/87/1302146487.db2.gz NPJBBIPAVKQSRM-UHFFFAOYSA-N -1 0 347.762 3.252 20 30 EGEDRM O=C([O-])c1ccc2c(C=NN=c3[nH]c4ccccc4s3)[nH]nc2c1 ZINC000765542090 1302280271 /nfs/dbraw/zinc/28/02/71/1302280271.db2.gz FPNRSMSRBGHEOA-UHFFFAOYSA-N -1 0 337.364 3.317 20 30 EGEDRM C#CCOc1cccc([N-]S(=O)(=O)c2cc(C)ccc2Cl)c1 ZINC000765647391 1302296547 /nfs/dbraw/zinc/29/65/47/1302296547.db2.gz JMUJVPJPPJSKCE-UHFFFAOYSA-N -1 0 335.812 3.461 20 30 EGEDRM N#C[C@@H]([N-]C(=O)C(F)(F)C1(O)CCC1)c1c(Cl)cccc1Cl ZINC000767429525 1302673725 /nfs/dbraw/zinc/67/37/25/1302673725.db2.gz AVFQWCLYSQRKDY-SNVBAGLBSA-N -1 0 349.164 3.225 20 30 EGEDRM Cn1ncc2c1nc(N=NC1C[C@H](c3ccccc3)C1(C)C)[n-]c2=O ZINC000769809062 1303178214 /nfs/dbraw/zinc/17/82/14/1303178214.db2.gz RRHQXSZPOQRTBR-CYBMUJFWSA-N -1 0 336.399 3.051 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)c2ccc3nc(C(F)(F)F)cn3c2)c1 ZINC000771436400 1303406094 /nfs/dbraw/zinc/40/60/94/1303406094.db2.gz KEEFQPIQISXUMZ-UHFFFAOYSA-N -1 0 346.268 3.183 20 30 EGEDRM C[C@H](Oc1cccc(/C=C2/Oc3cc(F)ccc3C2=O)c1)C(=O)[O-] ZINC000773169446 1303636277 /nfs/dbraw/zinc/63/62/77/1303636277.db2.gz CWUKLRCNRABQNV-MDKXCRPYSA-N -1 0 328.295 3.294 20 30 EGEDRM CCO[C@H]1CC(N=Nc2ccc(C(=O)[O-])cc2)[C@H]1Oc1ccccc1 ZINC000774302174 1303795752 /nfs/dbraw/zinc/79/57/52/1303795752.db2.gz QNMYHNRYHXNZEH-ZWKOTPCHSA-N -1 0 340.379 3.409 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)C(=O)NC2CCCC2)nn1C1CCCCC1 ZINC000776511110 1304167496 /nfs/dbraw/zinc/16/74/96/1304167496.db2.gz IKZULYXDGNKNHN-INIZCTEOSA-N -1 0 342.443 3.078 20 30 EGEDRM CCCC[C@H](CC)CC(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC000779316773 1304554822 /nfs/dbraw/zinc/55/48/22/1304554822.db2.gz TWAIFUAFUYZXIZ-AWEZNQCLSA-N -1 0 328.478 3.123 20 30 EGEDRM N#CC1(CS(=O)(=O)[N-]C(=O)c2cc3ccccc3s2)CCCC1 ZINC000779313302 1304555071 /nfs/dbraw/zinc/55/50/71/1304555071.db2.gz NOWUWTVSWZEIDU-UHFFFAOYSA-N -1 0 348.449 3.045 20 30 EGEDRM Cc1ccccc1[C@H](C)CC(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC000779312797 1304555319 /nfs/dbraw/zinc/55/53/19/1304555319.db2.gz GSWOTULCUYADJZ-OAHLLOKOSA-N -1 0 348.468 3.019 20 30 EGEDRM CCCCC[C@@](C)(CC)C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1 ZINC000781564765 1304842990 /nfs/dbraw/zinc/84/29/90/1304842990.db2.gz OWLUBYWBVNBALH-OAHLLOKOSA-N -1 0 328.478 3.123 20 30 EGEDRM Cc1ccnc(Oc2ccc(C([O-])=C(C#N)C(=O)NC(C)C)cc2)c1 ZINC000892498409 1305408316 /nfs/dbraw/zinc/40/83/16/1305408316.db2.gz IETFWJBFTYBXTI-INIZCTEOSA-N -1 0 337.379 3.029 20 30 EGEDRM Cc1ccccc1C([O-])=C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786541756 1305594206 /nfs/dbraw/zinc/59/42/06/1305594206.db2.gz WPNMIRARIFJJAD-INIZCTEOSA-N -1 0 326.783 3.287 20 30 EGEDRM O=C1CCN1c1cccc(N=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])c1 ZINC000790598837 1306357686 /nfs/dbraw/zinc/35/76/86/1306357686.db2.gz PKWQJSIBNIWNFJ-UHFFFAOYSA-N -1 0 345.742 3.441 20 30 EGEDRM CC[C@@H](NN=C(C)c1cnn(-c2cccc(Cl)c2)c1C)C(=O)[O-] ZINC000793073345 1309291144 /nfs/dbraw/zinc/29/11/44/1309291144.db2.gz STQHMSMLDJLYHP-OAHLLOKOSA-N -1 0 334.807 3.011 20 30 EGEDRM CC(C)c1ccc([C@@H](C)CC(=O)[N-]S(=O)(=O)CC2(C#N)CC2)cc1 ZINC000793201346 1309315465 /nfs/dbraw/zinc/31/54/65/1309315465.db2.gz LGSWEUIRQXKLJD-AWEZNQCLSA-N -1 0 348.468 3.053 20 30 EGEDRM COC(=O)C[C@H]1CCC(N=Nc2ccc(Cl)c(C(=O)[O-])c2)[C@H]1C ZINC000794453093 1309529427 /nfs/dbraw/zinc/52/94/27/1309529427.db2.gz JJFPWTLCKMUZRF-VHSXEESVSA-N -1 0 338.791 3.415 20 30 EGEDRM COc1cc2c(cc1OC)C(=NNc1cccc(C(=O)[O-])c1)CC2 ZINC000794451806 1309530382 /nfs/dbraw/zinc/53/03/82/1309530382.db2.gz DSFPOKRHERVUTJ-UHFFFAOYSA-N -1 0 326.352 3.164 20 30 EGEDRM COc1cc(/C=C2/COc3cc(F)ccc3C2=O)cc([N+](=O)[O-])c1[O-] ZINC000794727294 1309584113 /nfs/dbraw/zinc/58/41/13/1309584113.db2.gz HKIURSBKCPDQTO-WMZJFQQLSA-N -1 0 345.282 3.107 20 30 EGEDRM CC[C@@H]1CCCC[C@@H]1C(=O)OCC([O-])=C(C#N)c1nc(C)cs1 ZINC000796318933 1309965087 /nfs/dbraw/zinc/96/50/87/1309965087.db2.gz BMOINOHSMPOCCG-RDBSUJKOSA-N -1 0 334.441 3.387 20 30 EGEDRM CC[C@H](C)[C@@H](OC)C(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21 ZINC000796629919 1310049264 /nfs/dbraw/zinc/04/92/64/1310049264.db2.gz RTDMXDJXHAYKFL-NXPJVHOHSA-N -1 0 326.396 3.429 20 30 EGEDRM C=C1CC(c2noc(-c3ccc4c(c3)[n-]c(=S)n(CC)c4=O)n2)C1 ZINC000896889056 1310070539 /nfs/dbraw/zinc/07/05/39/1310070539.db2.gz BOEYIMRQFOMMME-UHFFFAOYSA-N -1 0 340.408 3.189 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)NCC1(Cc2ccccc2)CCCC1 ZINC000797734387 1310239363 /nfs/dbraw/zinc/23/93/63/1310239363.db2.gz RKKFYKUVDIKOLK-UHFFFAOYSA-N -1 0 330.428 3.072 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)Nc1ccc(Oc2ccc(C)cn2)cc1 ZINC000797741363 1310240238 /nfs/dbraw/zinc/24/02/38/1310240238.db2.gz DVOKQASGGKJLAE-UHFFFAOYSA-N -1 0 341.367 3.287 20 30 EGEDRM COc1cc(/C=C/C(=O)c2cc(C)c(C)o2)ccc1OCC(=O)[O-] ZINC000799895757 1310634258 /nfs/dbraw/zinc/63/42/58/1310634258.db2.gz DFFFBNRODLQWBC-GQCTYLIASA-N -1 0 330.336 3.265 20 30 EGEDRM O=C([O-])c1ccc2c(c1)CCCCC2N=Nc1ncc(Cl)cn1 ZINC000857220862 1328524921 /nfs/dbraw/zinc/52/49/21/1328524921.db2.gz ORZXZUDHULTGQK-UHFFFAOYSA-N -1 0 330.775 3.371 20 30 EGEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1cc(C)cc(C)n1)c1ccccc1 ZINC000802219423 1316989894 /nfs/dbraw/zinc/98/98/94/1316989894.db2.gz WJHPFDWNONCVLD-DLBZAZTESA-N -1 0 335.407 3.288 20 30 EGEDRM O=C([O-])CCOc1ccc(/C=C/C(=O)c2cnn(C3CCC3)c2)cc1 ZINC000899408240 1317023444 /nfs/dbraw/zinc/02/34/44/1317023444.db2.gz XGIJGDZTOJXSNI-RMKNXTFCSA-N -1 0 340.379 3.358 20 30 EGEDRM Cc1nn(-c2ccccn2)c(C)c1/C=C/C(=O)c1ccc(O)cc1[O-] ZINC000802706013 1317026238 /nfs/dbraw/zinc/02/62/38/1317026238.db2.gz ZPLWNJYCCNRUJG-CMDGGOBGSA-N -1 0 335.363 3.191 20 30 EGEDRM Cc1c2ccc(F)cc2sc1C([O-])=C(C#N)C(=O)N1CCCC1 ZINC000805851439 1317431771 /nfs/dbraw/zinc/43/17/71/1317431771.db2.gz KBMYKVHCWGEKPZ-CYBMUJFWSA-N -1 0 330.384 3.294 20 30 EGEDRM CC(C)c1ccc2occ(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)c2c1 ZINC000805909679 1317438447 /nfs/dbraw/zinc/43/84/47/1317438447.db2.gz FIPKLICSEPJDTC-UHFFFAOYSA-N -1 0 348.424 3.166 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccnc(C(F)(F)F)c1 ZINC000808978351 1317755667 /nfs/dbraw/zinc/75/56/67/1317755667.db2.gz KWNPZYNKRFSVAV-GFCCVEGCSA-N -1 0 341.333 3.119 20 30 EGEDRM O=C1OCc2ccc(N=Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])cc21 ZINC000809144892 1317773851 /nfs/dbraw/zinc/77/38/51/1317773851.db2.gz UFZKIPFZTBKPCJ-UHFFFAOYSA-N -1 0 332.699 3.375 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)Cc2cc(Cl)ccc2Cl)CC1 ZINC000810985307 1318087060 /nfs/dbraw/zinc/08/70/60/1318087060.db2.gz HOOFZEDTJAALGI-UHFFFAOYSA-N -1 0 348.251 3.091 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2cc3cc(C)ccc3s2)CC1 ZINC000810981668 1318085609 /nfs/dbraw/zinc/08/56/09/1318085609.db2.gz FSARUWDBRDCRPA-UHFFFAOYSA-N -1 0 335.450 3.378 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)/C=C(\C)c2cccc(Cl)c2)CC1 ZINC000810987012 1318087691 /nfs/dbraw/zinc/08/76/91/1318087691.db2.gz VHPWDBYYRCDSNB-ZRDIBKRKSA-N -1 0 339.844 3.298 20 30 EGEDRM O=C(/C=C\c1cc([O-])ccc1[N+](=O)[O-])c1ccc(Br)nc1 ZINC000811696111 1318229407 /nfs/dbraw/zinc/22/94/07/1318229407.db2.gz JIAASTSDJDCTJG-KTAJNNJTSA-N -1 0 349.140 3.354 20 30 EGEDRM C=C[C@@](C)(CC)C(=O)N1CCC(c2nc(C)c(C(=O)[O-])s2)CC1 ZINC000910357555 1318615548 /nfs/dbraw/zinc/61/55/48/1318615548.db2.gz MNGVESKOWSAHAD-KRWDZBQOSA-N -1 0 336.457 3.458 20 30 EGEDRM C=CCC(C)(C)C(=O)N1CCN(c2ccc(C(=O)[O-])cc2)C[C@H]1C ZINC000911319413 1318735908 /nfs/dbraw/zinc/73/59/08/1318735908.db2.gz WJQQJWZTQQBYRS-CQSZACIVSA-N -1 0 330.428 3.024 20 30 EGEDRM Cc1ccc(NC(=S)NN=C2CC[C@@H](C(=O)[O-])[C@H](C)C2)c(C)c1 ZINC000814707556 1318801680 /nfs/dbraw/zinc/80/16/80/1318801680.db2.gz ROKKGRMDXKTSCN-BXUZGUMPSA-N -1 0 333.457 3.467 20 30 EGEDRM Cc1cccc(C)c1NC(=S)NN=C1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000814707520 1318801715 /nfs/dbraw/zinc/80/17/15/1318801715.db2.gz QVUBPPFTECTULS-TZMCWYRMSA-N -1 0 333.457 3.467 20 30 EGEDRM CC(=NNC(=S)Nc1ccccc1C)c1csc(C(=O)[O-])c1 ZINC000814712489 1318801786 /nfs/dbraw/zinc/80/17/86/1318801786.db2.gz AQLNPWDOUMWGHA-UHFFFAOYSA-N -1 0 333.438 3.465 20 30 EGEDRM C[C@@H]1C(=NNC(=S)NCc2ccccc2)CC[C@@H](C(=O)[O-])C1(C)C ZINC000814715008 1318802670 /nfs/dbraw/zinc/80/26/70/1318802670.db2.gz WUQMRTABRFELLS-OCCSQVGLSA-N -1 0 347.484 3.164 20 30 EGEDRM CC(=NNC(=S)Nc1ccccc1)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C ZINC000814713917 1318803116 /nfs/dbraw/zinc/80/31/16/1318803116.db2.gz KDVDZSZFTXRBNC-OCCSQVGLSA-N -1 0 333.457 3.486 20 30 EGEDRM Cc1ccc(NC(=S)NN=C2CC[C@@H](C(=O)[O-])[C@H](C)C2)cc1C ZINC000814713553 1318803514 /nfs/dbraw/zinc/80/35/14/1318803514.db2.gz QZAZTIVGYHRWRW-IUODEOHRSA-N -1 0 333.457 3.467 20 30 EGEDRM C[C@@H]1C[C@H](C(=O)[O-])CCC1N=Nc1ncnc2sc3c(c21)CCC3 ZINC000814726673 1318806147 /nfs/dbraw/zinc/80/61/47/1318806147.db2.gz ZZAJJJWQXDNVEL-NXEZZACHSA-N -1 0 344.440 3.469 20 30 EGEDRM CC(C)CCNC(=S)NN=C1CC[C@@H](C(=O)[O-])C(C)(C)[C@H]1C ZINC000814758754 1318810949 /nfs/dbraw/zinc/81/09/49/1318810949.db2.gz GUJOQRATXUQBEY-RYUDHWBXSA-N -1 0 327.494 3.010 20 30 EGEDRM Cc1ccc(F)c(NC(=S)NN=C2CC[C@H](C(=O)[O-])C[C@H]2C)c1 ZINC000814820337 1318824072 /nfs/dbraw/zinc/82/40/72/1318824072.db2.gz YYNBFNRJJDTTFI-MNOVXSKESA-N -1 0 337.420 3.297 20 30 EGEDRM Cc1ccc(N=NC(C)c2cccc(OCCCC(=O)[O-])c2)nc1 ZINC000814831606 1318827082 /nfs/dbraw/zinc/82/70/82/1318827082.db2.gz JJRKDRZHUVEUAQ-UHFFFAOYSA-N -1 0 327.384 3.470 20 30 EGEDRM Cc1nc(Cl)cc(N=NC2CCCc3cc(C(=O)[O-])ccc32)n1 ZINC000814855556 1318832776 /nfs/dbraw/zinc/83/27/76/1318832776.db2.gz ORENMNCTARQRTK-UHFFFAOYSA-N -1 0 330.775 3.289 20 30 EGEDRM C[C@@H]1CC(N=Nc2cncc(Br)c2)CC[C@@H]1C(=O)[O-] ZINC000814887824 1318839407 /nfs/dbraw/zinc/83/94/07/1318839407.db2.gz YUPAHKRXZOPLPA-PELKAZGASA-N -1 0 326.194 3.133 20 30 EGEDRM COc1cccc(N=NC(C)c2cccc(OCCCC(=O)[O-])c2)n1 ZINC000814900028 1318842232 /nfs/dbraw/zinc/84/22/32/1318842232.db2.gz AEYGGWFVHQGGCJ-UHFFFAOYSA-N -1 0 343.383 3.170 20 30 EGEDRM CC(=NN[C@H]1CCOC(C)(C)C1)c1cccc(OCCCC(=O)[O-])c1 ZINC000814909087 1318845584 /nfs/dbraw/zinc/84/55/84/1318845584.db2.gz WKWXLLGMHPVPDA-INIZCTEOSA-N -1 0 348.443 3.201 20 30 EGEDRM CC[C@@H](NN=C(CSC)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000814936630 1318854210 /nfs/dbraw/zinc/85/42/10/1318854210.db2.gz COHJAYOWRHXAAD-LLVKDONJSA-N -1 0 334.363 3.225 20 30 EGEDRM C#CCCCCCC(=O)[N-]S(=O)(=O)[C@H](c1ccccc1)C(C)C ZINC000816113488 1319104506 /nfs/dbraw/zinc/10/45/06/1319104506.db2.gz UPHJATHQCZRQSA-SFHVURJKSA-N -1 0 335.469 3.413 20 30 EGEDRM CCCCCCCCCNC(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000913935684 1319182795 /nfs/dbraw/zinc/18/27/95/1319182795.db2.gz SLYMPDHCGJDYLH-CQSZACIVSA-N -1 0 337.468 3.150 20 30 EGEDRM O=[N+]([O-])c1cc(Cl)cc(C=NNCc2ccc(F)c(F)c2)c1[O-] ZINC000915975527 1319576293 /nfs/dbraw/zinc/57/62/93/1319576293.db2.gz DAYBRXMFPJHFER-UHFFFAOYSA-N -1 0 341.701 3.356 20 30 EGEDRM Cc1cc(O)cc2c1C(=O)/C(=C\c1ccc(OCCC(=O)[O-])cc1)O2 ZINC000915988906 1319580012 /nfs/dbraw/zinc/58/00/12/1319580012.db2.gz NQGRRMYHBYQHAT-CXUHLZMHSA-N -1 0 340.331 3.170 20 30 EGEDRM Cc1cc(CN=Nc2ccc(C(=O)[O-])cc2)c(C)n1C[C@@H]1CCCO1 ZINC000916240877 1319623181 /nfs/dbraw/zinc/62/31/81/1319623181.db2.gz RYONPAFFPFLRFG-SFHVURJKSA-N -1 0 341.411 3.428 20 30 EGEDRM C=CCNC(=O)C(C#N)=C([O-])c1cc(C)n(C2CCCCC2)c1C ZINC000916921977 1319726208 /nfs/dbraw/zinc/72/62/08/1319726208.db2.gz YZWUMSXRCQELLY-KRWDZBQOSA-N -1 0 327.428 3.235 20 30 EGEDRM CC(C)NC(=O)C(C#N)=C([O-])c1ccc(Oc2ccc(F)cc2)cc1 ZINC000916945331 1319727582 /nfs/dbraw/zinc/72/75/82/1319727582.db2.gz NGYCTMDRQGEVSU-QGZVFWFLSA-N -1 0 340.354 3.465 20 30 EGEDRM COCCOc1cccc(/C=C\C(=O)c2ccc(CC(=O)[O-])cc2)c1 ZINC000917145390 1319763234 /nfs/dbraw/zinc/76/32/34/1319763234.db2.gz LQINVSSEISXUOB-YFHOEESVSA-N -1 0 340.375 3.235 20 30 EGEDRM O=C1CCCN1c1ccc(F)c(N=Cc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000917557420 1319835199 /nfs/dbraw/zinc/83/51/99/1319835199.db2.gz LJYLNZFSLSBZNN-UHFFFAOYSA-N -1 0 343.314 3.317 20 30 EGEDRM O=C([O-])c1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2F)ccc1O ZINC000821008624 1319992301 /nfs/dbraw/zinc/99/23/01/1319992301.db2.gz RGTRAJHQNPOFSU-ORCRQEGFSA-N -1 0 331.255 3.034 20 30 EGEDRM O=C(/C=C\c1cc(F)c([O-])c(F)c1)c1cnnn1-c1ccccc1 ZINC000821007836 1319992658 /nfs/dbraw/zinc/99/26/58/1319992658.db2.gz LITYJGPVJPEESN-SREVYHEPSA-N -1 0 327.290 3.147 20 30 EGEDRM O=C([N-][C@H](CCO)c1cccc(C(F)(F)F)c1)C(F)(F)C(F)F ZINC000836795087 1320535574 /nfs/dbraw/zinc/53/55/74/1320535574.db2.gz KCRQRXGVKQFQDJ-SECBINFHSA-N -1 0 347.230 3.146 20 30 EGEDRM N#CC(=C([O-])C=CC1CCCC1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000842682450 1321418189 /nfs/dbraw/zinc/41/81/89/1321418189.db2.gz CUGSIIJQYDGLKY-WOLCWHLNSA-N -1 0 348.410 3.120 20 30 EGEDRM C#CCN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CCCCC1 ZINC000843776369 1321546764 /nfs/dbraw/zinc/54/67/64/1321546764.db2.gz MREHQEQIHZDOLH-UHFFFAOYSA-N -1 0 336.775 3.362 20 30 EGEDRM CCOC(=O)[C@H]1CCC(N=Nc2cccc(C(=O)[O-])c2C)C[C@H]1C ZINC000844624459 1321626253 /nfs/dbraw/zinc/62/62/53/1321626253.db2.gz PYUKSYPMDSDYCO-RISCZKNCSA-N -1 0 332.400 3.460 20 30 EGEDRM N#CC(C(=O)NC1CC1)=C([O-])c1cnc(-c2cccc(Cl)c2)s1 ZINC000845441697 1321708046 /nfs/dbraw/zinc/70/80/46/1321708046.db2.gz HEWUDLGAXXTYGS-LBPRGKRZSA-N -1 0 345.811 3.065 20 30 EGEDRM N#CC(C(=O)NC1CC1)=C([O-])c1cnc(-c2cccc(Cl)c2)s1 ZINC000845441696 1321708416 /nfs/dbraw/zinc/70/84/16/1321708416.db2.gz HEWUDLGAXXTYGS-GFCCVEGCSA-N -1 0 345.811 3.065 20 30 EGEDRM C=C(C)CO[N-]C(=O)C(=O)Nc1ccc2nc(C(C)(C)C)sc2c1 ZINC000846149890 1321771885 /nfs/dbraw/zinc/77/18/85/1321771885.db2.gz STOXRPYFGQRSDG-UHFFFAOYSA-N -1 0 347.440 3.156 20 30 EGEDRM C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccc2nc(C(C)(C)C)sc2c1 ZINC000846155683 1321772693 /nfs/dbraw/zinc/77/26/93/1321772693.db2.gz VCMBLAPFWIPDON-JTQLQIEISA-N -1 0 347.440 3.155 20 30 EGEDRM C=C(C)CO[N-]C(=O)[C@@](C)(NC(=O)OC(C)(C)C)c1ccccc1 ZINC000846534754 1321791093 /nfs/dbraw/zinc/79/10/93/1321791093.db2.gz ACQAXJNIUIVCGJ-SFHVURJKSA-N -1 0 334.416 3.050 20 30 EGEDRM C=C[C@@H](C)O[N-]C(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1C ZINC000846553418 1321793162 /nfs/dbraw/zinc/79/31/62/1321793162.db2.gz AOTSAUIBRMBPJL-HIFRSBDPSA-N -1 0 334.416 3.183 20 30 EGEDRM C#CCC1(C(=O)Nc2cc(-c3n[nH]c(=O)[n-]3)ccc2C)CCCCC1 ZINC000848029465 1321925094 /nfs/dbraw/zinc/92/50/94/1321925094.db2.gz IRMIVHIOUGPVBN-UHFFFAOYSA-N -1 0 338.411 3.398 20 30 EGEDRM Cn1ccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)c1-c1ccccc1 ZINC000850758087 1322285625 /nfs/dbraw/zinc/28/56/25/1322285625.db2.gz YDIPRYFPPIUWPT-GOSISDBHSA-N -1 0 349.434 3.463 20 30 EGEDRM CCC(C#N)(CC)C(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC000923082673 1322688911 /nfs/dbraw/zinc/68/89/11/1322688911.db2.gz XCBXMHJSIULSDD-LSDHHAIUSA-N -1 0 348.830 3.297 20 30 EGEDRM CCCn1nccc1/C=C/C(=O)c1ccc(OCCCC(=O)[O-])cc1 ZINC000853003140 1323257791 /nfs/dbraw/zinc/25/77/91/1323257791.db2.gz DPQYPNKHRQTECG-JXMROGBWSA-N -1 0 342.395 3.433 20 30 EGEDRM CCn1nccc1[C@@H]1OCCC[C@H]1CN=Nc1cccc(C(=O)[O-])c1 ZINC000853257972 1325073227 /nfs/dbraw/zinc/07/32/27/1325073227.db2.gz GOUGIZZJDJCYAV-WMLDXEAASA-N -1 0 342.399 3.167 20 30 EGEDRM Cc1cccc(N=NC(C)c2cccc(OCCCC(=O)[O-])c2)n1 ZINC000863160358 1329531198 /nfs/dbraw/zinc/53/11/98/1329531198.db2.gz AVVIRHHFISMBIK-UHFFFAOYSA-N -1 0 327.384 3.470 20 30 EGEDRM C=CCN(CC(=O)[O-])Cc1cc(Cl)c(C)cc1Br ZINC000863464646 1329556006 /nfs/dbraw/zinc/55/60/06/1329556006.db2.gz KKHUBHYZLLESPV-UHFFFAOYSA-N -1 0 332.625 3.484 20 30 EGEDRM N#Cc1ccc(CC2CCN(C(=O)CCC(=O)C3=CC=C[CH]3)CC2)cc1 ZINC001184243537 1387418584 /nfs/dbraw/zinc/41/85/84/1387418584.db2.gz KMDPYOVEOMXUJS-UHFFFAOYSA-N -1 0 347.438 3.389 20 30 EGEDRM Cc1cc(C)cc(OC[C@@H](C)NC(=O)CCC(=O)C2=CC=C[CH]2)c1 ZINC001184244667 1387418688 /nfs/dbraw/zinc/41/86/88/1387418688.db2.gz SVGLQEUVDLFTSI-MRXNPFEDSA-N -1 0 326.416 3.237 20 30 EGEDRM CC(C)(C#N)c1cccc([N-]S(=O)(=O)c2cccnc2Cl)c1 ZINC001184875411 1387552874 /nfs/dbraw/zinc/55/28/74/1387552874.db2.gz PHVNKFRBMBAWOE-UHFFFAOYSA-N -1 0 335.816 3.337 20 30 EGEDRM N#Cc1c(F)cc([N-]S(=O)(=O)Cc2cccc(F)c2F)cc1F ZINC001189462992 1367029407 /nfs/dbraw/zinc/02/94/07/1367029407.db2.gz AHFSPBWAALQSJF-UHFFFAOYSA-N -1 0 344.289 3.057 20 30 EGEDRM N#Cc1ncc(Cl)cc1[N-]S(=O)(=O)c1ccc(C2CC2)cc1 ZINC001190480553 1367273576 /nfs/dbraw/zinc/27/35/76/1367273576.db2.gz NZPSSLIWESCMOP-UHFFFAOYSA-N -1 0 333.800 3.285 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2ncc(Cl)cc2Cl)c1 ZINC001190616600 1367309581 /nfs/dbraw/zinc/30/95/81/1367309581.db2.gz ZIGHKGHBHPWJPS-UHFFFAOYSA-N -1 0 346.170 3.200 20 30 EGEDRM Cc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2F)c2cccnc12 ZINC001190647870 1367315703 /nfs/dbraw/zinc/31/57/03/1367315703.db2.gz LFLGWXYFNVGODF-UHFFFAOYSA-N -1 0 341.367 3.355 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)N[C@H]2CCCc3cc(F)ccc32)c1 ZINC001190676960 1367327005 /nfs/dbraw/zinc/32/70/05/1367327005.db2.gz GBYNTFDKPLBFPS-INIZCTEOSA-N -1 0 348.374 3.192 20 30 EGEDRM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1ccc(O)c(C#N)c1 ZINC001191698114 1367563551 /nfs/dbraw/zinc/56/35/51/1367563551.db2.gz JBBFQKKBXUYQRS-UHFFFAOYSA-N -1 0 346.408 3.197 20 30 EGEDRM C[C@H](C#N)c1ccc(NC(=O)c2nc(Br)ccc2[O-])cc1 ZINC001191742425 1367575100 /nfs/dbraw/zinc/57/51/00/1367575100.db2.gz PXULGZQMRUQFLT-SECBINFHSA-N -1 0 346.184 3.429 20 30 EGEDRM C=CC[C@H](NC(=O)NCC(C)(C)c1ccc(F)cc1Cl)C(=O)[O-] ZINC001325062701 1387893660 /nfs/dbraw/zinc/89/36/60/1387893660.db2.gz CKSVTHZUGIMBER-ZDUSSCGKSA-N -1 0 342.798 3.085 20 30 EGEDRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)c1 ZINC001192805979 1367878570 /nfs/dbraw/zinc/87/85/70/1367878570.db2.gz ZCSGSKCMNGFUBL-UHFFFAOYSA-N -1 0 334.372 3.069 20 30 EGEDRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C#N)c(C)c2)c1 ZINC001192816884 1367881170 /nfs/dbraw/zinc/88/11/70/1367881170.db2.gz YRGZZAAPLKRORJ-UHFFFAOYSA-N -1 0 330.409 3.239 20 30 EGEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)c1ccccc1 ZINC001193096922 1367942891 /nfs/dbraw/zinc/94/28/91/1367942891.db2.gz DKEZUVNDTUCTEB-NSHDSACASA-N -1 0 348.811 3.225 20 30 EGEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1cc(-c2ccc(C(F)(F)F)cc2)no1 ZINC001193106821 1367945359 /nfs/dbraw/zinc/94/53/59/1367945359.db2.gz KKIYWQGDQFNKQB-QMMMGPOBSA-N -1 0 345.302 3.014 20 30 EGEDRM C=C1CC=C(F)C=C1NC(=O)c1c(C)[n-]n(-c2ccccc2)c1=O ZINC001194277068 1368222304 /nfs/dbraw/zinc/22/23/04/1368222304.db2.gz IVEJXVOFFDAAQA-UHFFFAOYSA-N -1 0 325.343 3.313 20 30 EGEDRM N#Cc1cc(-c2ccccc2)oc1[N-]S(=O)(=O)C1CCC(=O)CC1 ZINC001194759514 1368317500 /nfs/dbraw/zinc/31/75/00/1368317500.db2.gz MTAWLZNQFPPBJP-UHFFFAOYSA-N -1 0 344.392 3.072 20 30 EGEDRM C[C@@H]1OC2(CCN(C(=O)c3ccc(C#N)cc3[O-])CC2)c2ccccc21 ZINC001195751307 1368482463 /nfs/dbraw/zinc/48/24/63/1368482463.db2.gz RMUGTASBTTZNGK-AWEZNQCLSA-N -1 0 348.402 3.487 20 30 EGEDRM N#Cc1ccc(-c2ccccc2NC(=O)c2ccc(C#N)cc2[O-])nc1 ZINC001195758736 1368483435 /nfs/dbraw/zinc/48/34/35/1368483435.db2.gz RCQNJAMMWWIDKP-UHFFFAOYSA-N -1 0 340.342 3.450 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2cccc(C#CC(C)(C)O)c2)c(F)c1 ZINC001196384464 1368603252 /nfs/dbraw/zinc/60/32/52/1368603252.db2.gz OEPVZZOKRXVTOI-UHFFFAOYSA-N -1 0 347.411 3.057 20 30 EGEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cnc2c(c1)CCCC2 ZINC001196650604 1368656277 /nfs/dbraw/zinc/65/62/77/1368656277.db2.gz RRSAOCOLOBEKRS-UHFFFAOYSA-N -1 0 347.827 3.286 20 30 EGEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2ocnc2c1 ZINC001196676219 1368660411 /nfs/dbraw/zinc/66/04/11/1368660411.db2.gz RMRJWRBEXPQOLF-UHFFFAOYSA-N -1 0 333.756 3.154 20 30 EGEDRM COc1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)c1C ZINC001196679603 1368660779 /nfs/dbraw/zinc/66/07/79/1368660779.db2.gz DBAJPGMCESOYPC-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM COc1cc(C)c(S(=O)(=O)[N-]c2cc(C)ccc2C#N)c(C)c1 ZINC001196846095 1368696992 /nfs/dbraw/zinc/69/69/92/1368696992.db2.gz XRTIFPPTJUVUMN-UHFFFAOYSA-N -1 0 330.409 3.293 20 30 EGEDRM COc1cc(C)c(S(=O)(=O)[N-]c2cc(F)ccc2C#N)c(C)c1 ZINC001196879814 1368704761 /nfs/dbraw/zinc/70/47/61/1368704761.db2.gz JVYSUPYWIMFQMG-UHFFFAOYSA-N -1 0 334.372 3.124 20 30 EGEDRM N#Cc1cncc([N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2F)c1 ZINC001201248069 1369504350 /nfs/dbraw/zinc/50/43/50/1369504350.db2.gz UQFXIPPBIVSRBK-UHFFFAOYSA-N -1 0 346.170 3.200 20 30 EGEDRM CC(=O)c1ccc(F)cc1[N-]S(=O)(=O)c1ccc(C)c(C#N)c1 ZINC001201322972 1369519648 /nfs/dbraw/zinc/51/96/48/1369519648.db2.gz VMCFNTDYWXHXND-UHFFFAOYSA-N -1 0 332.356 3.009 20 30 EGEDRM CCCCCCCCCCS(=O)(=O)[N-]c1cnn(C)c1C#N ZINC001201833635 1369630991 /nfs/dbraw/zinc/63/09/91/1369630991.db2.gz AFGSWPAMYTUAJA-UHFFFAOYSA-N -1 0 326.466 3.174 20 30 EGEDRM Cc1ncc(C#N)cc1[N-]S(=O)(=O)c1cc2c(s1)CCCC2 ZINC001187185381 1388066610 /nfs/dbraw/zinc/06/66/10/1388066610.db2.gz VCHUZINYSCMAJF-UHFFFAOYSA-N -1 0 333.438 3.003 20 30 EGEDRM CCOC(=O)c1cc(-c2ccc(F)c(C(=O)[O-])c2F)ccc1C#N ZINC001205108620 1370653077 /nfs/dbraw/zinc/65/30/77/1370653077.db2.gz WKTNOOQQSCTSBP-UHFFFAOYSA-N -1 0 331.274 3.378 20 30 EGEDRM COC(=O)c1ccc(-c2cc(F)c(F)c(C(=O)[O-])c2)cc1CC#N ZINC001206051928 1370949380 /nfs/dbraw/zinc/94/93/80/1370949380.db2.gz ZTAMNOFBYHCVNR-UHFFFAOYSA-N -1 0 331.274 3.183 20 30 EGEDRM C=CC[C@H](NC(=O)c1ccc(OC)c(-c2ccccc2)c1)C(=O)[O-] ZINC001116921470 1371001256 /nfs/dbraw/zinc/00/12/56/1371001256.db2.gz BOLMGYNMSXCQEI-INIZCTEOSA-N -1 0 325.364 3.121 20 30 EGEDRM C=CCC[C@@H](NC(=O)C(=O)[N-]OCc1ccccc1)c1ccccc1 ZINC001117454052 1371045410 /nfs/dbraw/zinc/04/54/10/1371045410.db2.gz WWKLTCGBSUKPCJ-GOSISDBHSA-N -1 0 338.407 3.058 20 30 EGEDRM C=CCC[C@H](NC(=O)C(=O)[N-]OCc1ccccc1)c1ccccc1 ZINC001117454053 1371045564 /nfs/dbraw/zinc/04/55/64/1371045564.db2.gz WWKLTCGBSUKPCJ-SFHVURJKSA-N -1 0 338.407 3.058 20 30 EGEDRM COc1ccc(Nc2c(C#N)cnnc2-c2ccccc2)cc1C(=O)[O-] ZINC001209901597 1372227962 /nfs/dbraw/zinc/22/79/62/1372227962.db2.gz PYYWKWKFIAAJRP-UHFFFAOYSA-N -1 0 346.346 3.466 20 30 EGEDRM N#CC(=C([O-])c1cncc(OCC(F)F)c1)c1nc2ccccc2o1 ZINC001122413312 1372244162 /nfs/dbraw/zinc/24/41/62/1372244162.db2.gz LBLRPPGBOLXHSQ-GFCCVEGCSA-N -1 0 343.289 3.357 20 30 EGEDRM CCc1cc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)nn1C ZINC001122502086 1372261219 /nfs/dbraw/zinc/26/12/19/1372261219.db2.gz CWHKNPZCLQOPPW-LLVKDONJSA-N -1 0 328.372 3.221 20 30 EGEDRM N#Cc1ccc(Nc2cccc(C(=O)[O-])c2F)c(Br)n1 ZINC001210239754 1372301615 /nfs/dbraw/zinc/30/16/15/1372301615.db2.gz OYJRLPZAYXULKS-UHFFFAOYSA-N -1 0 336.120 3.297 20 30 EGEDRM Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)c1C#N ZINC001187961267 1388198588 /nfs/dbraw/zinc/19/85/88/1388198588.db2.gz SUKWCKZKSHXQQT-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM COc1c(Nc2cnc(C#N)c(C(F)(F)F)c2)cccc1C(=O)[O-] ZINC001211032827 1372474120 /nfs/dbraw/zinc/47/41/20/1372474120.db2.gz FUKLESKSVPJAPS-UHFFFAOYSA-N -1 0 337.257 3.422 20 30 EGEDRM Cc1cc(C(=O)[O-])ccc1Nc1cc(Br)cnc1C#N ZINC001211616363 1372590937 /nfs/dbraw/zinc/59/09/37/1372590937.db2.gz JEGXLBUQOWPPDN-UHFFFAOYSA-N -1 0 332.157 3.466 20 30 EGEDRM N#Cc1cccc(-c2noc(C(=O)[N-]c3c(F)cccc3F)n2)c1 ZINC001212170486 1372666922 /nfs/dbraw/zinc/66/69/22/1372666922.db2.gz CKAPIMLUCOHCCM-UHFFFAOYSA-N -1 0 326.262 3.139 20 30 EGEDRM CCCCCCCCS(=O)(=O)[N-]c1ccccc1C(=O)NOC ZINC001188017676 1388216461 /nfs/dbraw/zinc/21/64/61/1388216461.db2.gz AUSTXWGYABAJTH-UHFFFAOYSA-N -1 0 342.461 3.080 20 30 EGEDRM Cn1[n-]c(-c2nc(-c3ccc(-c4ccc(C#N)cc4)cc3)no2)cc1=O ZINC001213450004 1372907814 /nfs/dbraw/zinc/90/78/14/1372907814.db2.gz JAYQBBNPFGDYOJ-UHFFFAOYSA-N -1 0 343.346 3.381 20 30 EGEDRM N#Cc1cccc(F)c1[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC001188066977 1388234580 /nfs/dbraw/zinc/23/45/80/1388234580.db2.gz HKDFFLWUZRBULF-UHFFFAOYSA-N -1 0 346.170 3.200 20 30 EGEDRM N#Cc1cccc(-c2nc(-c3cncc(C(F)(F)F)c3)no2)c1[O-] ZINC001216979752 1373374519 /nfs/dbraw/zinc/37/45/19/1373374519.db2.gz IIUKSKMHNNRLPM-UHFFFAOYSA-N -1 0 332.241 3.395 20 30 EGEDRM COc1cc(F)c(-c2noc(-c3ccc(C#N)cc3[O-])n2)cc1F ZINC001217039748 1373381774 /nfs/dbraw/zinc/38/17/74/1373381774.db2.gz YUNLWRFNHSFLMC-UHFFFAOYSA-N -1 0 329.262 3.268 20 30 EGEDRM Cc1cc([O-])c([N+](=O)[O-])cc1-c1nc(-c2cc(C#N)ccc2F)no1 ZINC001217095239 1373387068 /nfs/dbraw/zinc/38/70/68/1373387068.db2.gz BEVRGWCBDIMPGW-UHFFFAOYSA-N -1 0 340.270 3.337 20 30 EGEDRM COc1ccc(-c2noc(-c3cc(=O)c4cccc(C#N)c4[n-]3)n2)cc1 ZINC001217504042 1373456052 /nfs/dbraw/zinc/45/60/52/1373456052.db2.gz YCVLHFXFAQLUAP-UHFFFAOYSA-N -1 0 344.330 3.125 20 30 EGEDRM [O-]/N=C(\O[C@H]1COc2cnccc21)c1ccccc1Br ZINC001223885701 1375046736 /nfs/dbraw/zinc/04/67/36/1375046736.db2.gz GJBAKVBBGONSDI-FSLWVPIDSA-N -1 0 335.157 3.130 20 30 EGEDRM C=C[C@@]1(C)CC[C@@H](Oc2nc(C(F)(F)F)cc(=O)[n-]2)C(C)(C)O1 ZINC001225977099 1375183177 /nfs/dbraw/zinc/18/31/77/1375183177.db2.gz FSVQSMIMRGNGFV-YGRLFVJLSA-N -1 0 332.322 3.482 20 30 EGEDRM C=C(C)[C@@H]1CC[C@@H](C)C[C@@H]1Oc1ccc(O)cc1S(=O)(=O)[O-] ZINC001226413484 1375256267 /nfs/dbraw/zinc/25/62/67/1375256267.db2.gz QVQIIXOJRGTSRA-ZLDLUXBVSA-N -1 0 326.414 3.399 20 30 EGEDRM C#C[C@@H]1CCC[C@@H]1Oc1c(Cl)cc(S(=O)(=O)[O-])cc1Cl ZINC001227635893 1375457857 /nfs/dbraw/zinc/45/78/57/1375457857.db2.gz VILBWSIRMFAYQN-PELKAZGASA-N -1 0 335.208 3.421 20 30 EGEDRM C=CC[C@@H](Oc1c([O-])c(C(=O)OCC)oc1C(=O)OCC)C(C)C ZINC001227638789 1375458131 /nfs/dbraw/zinc/45/81/31/1375458131.db2.gz ZZWDOFVXHSJSDQ-LLVKDONJSA-N -1 0 340.372 3.318 20 30 EGEDRM CC[C@@H](C)OC(=O)N1CCCC[C@H]1CCOc1[n-]c(=O)ccc1C#N ZINC001228901984 1375710134 /nfs/dbraw/zinc/71/01/34/1375710134.db2.gz OMCYYCUQLXLPNF-HIFRSBDPSA-N -1 0 347.415 3.217 20 30 EGEDRM N#CNC(=NC(=O)c1cccc(-c2ccccc2)c1[O-])c1ccncc1 ZINC001148868782 1379286793 /nfs/dbraw/zinc/28/67/93/1379286793.db2.gz BLSQANIGCQOEMQ-UHFFFAOYSA-N -1 0 342.358 3.112 20 30 EGEDRM COc1ccc2cc(C(=O)Nc3cc(C#N)c(F)cc3[O-])[nH]c2c1 ZINC001149569143 1379406054 /nfs/dbraw/zinc/40/60/54/1379406054.db2.gz KVBYXASJKQVUJZ-UHFFFAOYSA-N -1 0 325.299 3.145 20 30 EGEDRM N#Cc1ccc2[n-]c(C(=O)Nc3csc4cnccc34)cc(=O)c2c1 ZINC001154552600 1380304606 /nfs/dbraw/zinc/30/46/06/1380304606.db2.gz YHOFKGIBZRIZHB-UHFFFAOYSA-N -1 0 346.371 3.262 20 30 EGEDRM CSc1nc(Cl)c(/C=N/O)c(N2CCC[C@@H]2c2ccccn2)n1 ZINC001156027579 1380514434 /nfs/dbraw/zinc/51/44/34/1380514434.db2.gz VIVYQOSAUHSWEI-KBSHCFNASA-N -1 0 349.847 3.397 20 30 EGEDRM Cc1ccc(Nc2ccccc2C(=O)Nc2nc(C#N)c(C#N)[n-]2)cc1 ZINC001163736558 1383116504 /nfs/dbraw/zinc/11/65/04/1383116504.db2.gz BMMLJUMVNYZYAD-UHFFFAOYSA-N -1 0 342.362 3.457 20 30 EGEDRM CCOc1cc(C(=O)Nc2n[nH]c(C3CC3)c2C#N)cc(Cl)c1[O-] ZINC001171016470 1384430345 /nfs/dbraw/zinc/43/03/45/1384430345.db2.gz INOPVZZCAJOYFA-UHFFFAOYSA-N -1 0 346.774 3.169 20 30 EGEDRM COc1cc(Nc2c(C#N)cnn2-c2ccccc2)ccc1C(=O)[O-] ZINC001174682447 1385133696 /nfs/dbraw/zinc/13/36/96/1385133696.db2.gz JODYGCWFQAHPJH-UHFFFAOYSA-N -1 0 334.335 3.194 20 30 EGEDRM Cc1ccc(C(=O)[O-])cc1Nc1ncc(C#N)cc1Br ZINC001174981079 1385178269 /nfs/dbraw/zinc/17/82/69/1385178269.db2.gz DCKXWOBBNXCYRJ-UHFFFAOYSA-N -1 0 332.157 3.466 20 30 EGEDRM CNC(=O)c1cc(C#N)cc(C)c1Nc1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001176589889 1385634060 /nfs/dbraw/zinc/63/40/60/1385634060.db2.gz GLGHOGKWLRJTDA-UHFFFAOYSA-N -1 0 349.390 3.086 20 30 EGEDRM C=CC[C@H](NC(=O)N[C@H](C)c1oc2ccc(OC)cc2c1C)C(=O)[O-] ZINC001321278046 1386864378 /nfs/dbraw/zinc/86/43/78/1386864378.db2.gz QZYAPPUPCFAVRF-RISCZKNCSA-N -1 0 346.383 3.139 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2nc3c(s2)C[C@H](C)CC3)ccc1C#N ZINC001322148183 1387077434 /nfs/dbraw/zinc/07/74/34/1387077434.db2.gz DQWIHHOYTCUPNO-SNVBAGLBSA-N -1 0 347.465 3.249 20 30 EGEDRM C=CC[C@H](Cc1ccccc1)NC(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C ZINC001340585262 1390320416 /nfs/dbraw/zinc/32/04/16/1390320416.db2.gz LOIHHFORNDTTAA-HYVNUMGLSA-N -1 0 330.428 3.069 20 30 EGEDRM C=CCn1c(-c2c[n-]n(CC)c2=O)nnc1N(C)c1cccc(C)c1 ZINC001342026477 1390563272 /nfs/dbraw/zinc/56/32/72/1390563272.db2.gz NQZKCVVNSXINKN-UHFFFAOYSA-N -1 0 338.415 3.129 20 30 EGEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1ccc(F)c2occc21 ZINC001342032946 1390563459 /nfs/dbraw/zinc/56/34/59/1390563459.db2.gz CGXPGFHYQWMISX-CQSZACIVSA-N -1 0 328.343 3.343 20 30 EGEDRM N#CC(=C([O-])c1ncoc1C1CC1)c1nccn1Cc1ccccc1 ZINC001342164332 1390580427 /nfs/dbraw/zinc/58/04/27/1390580427.db2.gz HDTZQBFMWXCZLM-OAHLLOKOSA-N -1 0 332.363 3.287 20 30 EGEDRM Cc1c(C(=O)[C@@H](C#N)c2nc3c(nccc3C)[nH]2)cnn1C1CCCC1 ZINC001342559580 1390626584 /nfs/dbraw/zinc/62/65/84/1390626584.db2.gz VMLKJRDZJYFQRW-CQSZACIVSA-N -1 0 348.410 3.376 20 30 EGEDRM C=CCOc1ccc(C(=O)NCC2(CC(=O)[O-])CCCC2)cc1OC ZINC001345145372 1390841443 /nfs/dbraw/zinc/84/14/43/1390841443.db2.gz PSPSYJYGFQLBMJ-UHFFFAOYSA-N -1 0 347.411 3.025 20 30 EGEDRM C=CC[C@H](NC(=O)NCc1ccc(C)cc1O[C@H](C)CC)C(=O)[O-] ZINC001348023249 1391161611 /nfs/dbraw/zinc/16/16/11/1391161611.db2.gz DWIDQKDRABGJRM-HIFRSBDPSA-N -1 0 334.416 3.001 20 30 EGEDRM C=C[C@H](CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000823882665 1428350812 /nfs/dbraw/zinc/35/08/12/1428350812.db2.gz BJDXCSKFVGEJLU-CYBMUJFWSA-N -1 0 344.378 3.037 20 30 EGEDRM Cc1ccc(C=CCC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC000822233605 1428697607 /nfs/dbraw/zinc/69/76/07/1428697607.db2.gz RWGYEJMOJWBMAO-IHWYPQMZSA-N -1 0 344.378 3.089 20 30 EGEDRM CCOc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC000825639463 1428774828 /nfs/dbraw/zinc/77/48/28/1428774828.db2.gz WTBIAZFOARDIPE-BJMVGYQFSA-N -1 0 338.342 3.301 20 30 EGEDRM FC(F)(F)c1ccccc1ON=Cc1cccc(-c2nn[n-]n2)c1 ZINC000826369223 1428952012 /nfs/dbraw/zinc/95/20/12/1428952012.db2.gz SIYXUTATYZHXEE-UHFFFAOYSA-N -1 0 333.273 3.298 20 30 EGEDRM COc1ccc(Cl)cc1C(=O)C=Cc1cc(-c2nn[n-]n2)cs1 ZINC000821824510 1429008489 /nfs/dbraw/zinc/00/84/89/1429008489.db2.gz KWRNNURGFXQNNU-ONEGZZNKSA-N -1 0 346.799 3.486 20 30 EGEDRM COc1ccc(C)cc1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000826190191 1429675357 /nfs/dbraw/zinc/67/53/57/1429675357.db2.gz SOKGIWQBYMWHQV-FNORWQNLSA-N -1 0 338.342 3.219 20 30 EGEDRM N#CCOc1ccc(CNc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000822815733 1423845102 /nfs/dbraw/zinc/84/51/02/1423845102.db2.gz ZHSDOOMSAUBLIS-UHFFFAOYSA-N -1 0 340.774 3.035 20 30 EGEDRM C[C@H](C#N)Oc1ccc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735502302 1424686268 /nfs/dbraw/zinc/68/62/68/1424686268.db2.gz DPLLVQFXDGWNRI-PGJNLMOESA-N -1 0 345.362 3.054 20 30 EGEDRM CCc1nc(C)c(C(C)=NNc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000736699664 1424752061 /nfs/dbraw/zinc/75/20/61/1424752061.db2.gz OJNDCDYUYVTCFF-UHFFFAOYSA-N -1 0 327.417 3.030 20 30 EGEDRM COc1ccc(CSCCCC(C)(C)C#N)cc1-c1nn[n-]n1 ZINC000826207201 1426458927 /nfs/dbraw/zinc/45/89/27/1426458927.db2.gz DWOADCRHTOAYAI-UHFFFAOYSA-N -1 0 331.445 3.438 20 30 EGEDRM C=CCCCCCN(C)C(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000735409250 1428044333 /nfs/dbraw/zinc/04/43/33/1428044333.db2.gz WPQFKTHGBVCGNK-UHFFFAOYSA-N -1 0 330.461 3.242 20 30 EGEDRM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1cccnc1Cl ZINC000823504501 1428164697 /nfs/dbraw/zinc/16/46/97/1428164697.db2.gz QYBCADWIFMZHTH-PKNBQFBNSA-N -1 0 337.770 3.128 20 30 EGEDRM C[C@H]1c2c(c(O)ccc2F)C(=O)C1=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736228701 1429830519 /nfs/dbraw/zinc/83/05/19/1429830519.db2.gz JCOSUXJEIGUISZ-ZPBHHCQCSA-N -1 0 336.326 3.095 20 30 EGEDRM CC(C)CO[C@H]1CC(N=Nc2cccc(-c3nn[n-]n3)c2)C1(C)C ZINC000735839410 1441432982 /nfs/dbraw/zinc/43/29/82/1441432982.db2.gz SZTISEVWMQKDMH-HNNXBMFYSA-N -1 0 328.420 3.106 20 30 EGEDRM CC(C)c1ncc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)s1 ZINC000824364467 1441934007 /nfs/dbraw/zinc/93/40/07/1441934007.db2.gz IAUNCLYSLYJOAB-XQRVVYSFSA-N -1 0 343.387 3.482 20 30 EGEDRM C=CCOc1ccc(Oc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC000819758870 1442114395 /nfs/dbraw/zinc/11/43/95/1442114395.db2.gz IQQQGJODFCUPGQ-UHFFFAOYSA-N -1 0 339.311 3.132 20 30 EGEDRM Cc1cc(C#N)cc(C)c1OCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000822162089 1442446580 /nfs/dbraw/zinc/44/65/80/1442446580.db2.gz YDPBDYZZFKIRPE-UHFFFAOYSA-N -1 0 349.394 3.203 20 30 EGEDRM Cc1ccc(F)cc1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000826289471 1442470003 /nfs/dbraw/zinc/47/00/03/1442470003.db2.gz BNIWKGQVNVEEGI-DAXSKMNVSA-N -1 0 326.306 3.349 20 30 EGEDRM C(=NN=C1c2ccccc2-c2ccccc21)c1ccc(-c2nn[n-]n2)o1 ZINC000819718681 1443563934 /nfs/dbraw/zinc/56/39/34/1443563934.db2.gz NHSAELPYRZLBAP-UHFFFAOYSA-N -1 0 340.346 3.312 20 30 EGEDRM COc1ccc(C=CC(=O)c2cc(F)ccc2F)cc1-c1nn[n-]n1 ZINC000821787587 1443664598 /nfs/dbraw/zinc/66/45/98/1443664598.db2.gz VNAJEQCVHKZFGG-KXFIGUGUSA-N -1 0 342.305 3.050 20 30 EGEDRM CC(C)c1ncc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)s1 ZINC000824364466 1443761860 /nfs/dbraw/zinc/76/18/60/1443761860.db2.gz IAUNCLYSLYJOAB-GQCTYLIASA-N -1 0 343.387 3.482 20 30 EGEDRM C=CC[C@H](C)[C@H](C)Nc1ccc(NC(=O)OCC)c(-c2nn[n-]n2)c1 ZINC000823888003 1446277737 /nfs/dbraw/zinc/27/77/37/1446277737.db2.gz CUNOCXSJWUUPTH-RYUDHWBXSA-N -1 0 344.419 3.448 20 30 EGEDRM COc1ccc(C=CC(=O)c2cc(F)ccc2F)cc1-c1nn[n-]n1 ZINC000821787589 1446297318 /nfs/dbraw/zinc/29/73/18/1446297318.db2.gz VNAJEQCVHKZFGG-QHHAFSJGSA-N -1 0 342.305 3.050 20 30 EGEDRM N#Cc1ccc(Cl)cc1Oc1ncc(-c2nn[n-]n2)cc1Cl ZINC000822826419 1446430879 /nfs/dbraw/zinc/43/08/79/1446430879.db2.gz XDLOMMXOVBNUHP-UHFFFAOYSA-N -1 0 333.138 3.232 20 30 EGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@H]1CC[C@H](C)C1 ZINC000819743753 1446494853 /nfs/dbraw/zinc/49/48/53/1446494853.db2.gz PRHMKHFSOYXHTM-GJZGRUSLSA-N -1 0 339.443 3.208 20 30 EGEDRM N#Cc1ccc(SCc2cc(-c3nn[n-]n3)ccc2F)c(F)c1 ZINC000737722182 1446545083 /nfs/dbraw/zinc/54/50/83/1446545083.db2.gz FGJQGIASRPRDRJ-UHFFFAOYSA-N -1 0 329.335 3.309 20 30 EGEDRM Cc1c(Cl)cnc(N[C@@H](C)c2ccc(C#N)cc2)c1-c1nn[n-]n1 ZINC000826238790 1446703822 /nfs/dbraw/zinc/70/38/22/1446703822.db2.gz PKHNOBMCNMDSNW-JTQLQIEISA-N -1 0 339.790 3.268 20 30 EGEDRM Cc1cc(F)ccc1C=CC(=O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826268606 1447303987 /nfs/dbraw/zinc/30/39/87/1447303987.db2.gz FOYZJGLZRFSONH-DAXSKMNVSA-N -1 0 326.306 3.349 20 30 EGEDRM C=CCOc1ccc(C(=O)NC2(C(=O)[O-])CCCCCC2)cc1OC ZINC000262142575 939060750 /nfs/dbraw/zinc/06/07/50/939060750.db2.gz AKVXFIVCTGMJJX-UHFFFAOYSA-N -1 0 347.411 3.167 20 30 EGEDRM C=CC1(CC(=O)N[C@H](C(=O)[O-])[C@@H]2CCC[C@@H](OC)C2)CCCCC1 ZINC000907695504 939300802 /nfs/dbraw/zinc/30/08/02/939300802.db2.gz GGDYQOXXFGKNIS-INMHGKMJSA-N -1 0 337.460 3.288 20 30 EGEDRM C=CC[C@@H](NC(=O)NC1(C(=O)[O-])CCCCCC1)c1ccncc1 ZINC000929031337 939793971 /nfs/dbraw/zinc/79/39/71/939793971.db2.gz GKRYDBXHEFWNTD-OAHLLOKOSA-N -1 0 331.416 3.176 20 30 EGEDRM Cc1cc(F)c(C#N)cc1NC(=O)N1CCC(CCC(=O)[O-])CC1 ZINC001600224396 970778354 /nfs/dbraw/zinc/77/83/54/970778354.db2.gz WOKRBPQOBKXVEF-UHFFFAOYSA-N -1 0 333.363 3.115 20 30 EGEDRM Cc1csc(NC(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)c1C#N ZINC001600662849 970843301 /nfs/dbraw/zinc/84/33/01/970843301.db2.gz CPURPWQAKIJVPO-AWEZNQCLSA-N -1 0 341.392 3.144 20 30 EGEDRM C=CCCCCCCNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000323404045 971000373 /nfs/dbraw/zinc/00/03/73/971000373.db2.gz OBWDBWWHNYUHDU-UHFFFAOYSA-N -1 0 347.383 3.078 20 30 EGEDRM C#CCSc1ccc(COC(=O)c2coc(/C=C/C(=O)[O-])c2)cc1 ZINC001602704799 971337133 /nfs/dbraw/zinc/33/71/33/971337133.db2.gz ULCLKZZFLIILMA-VMPITWQZSA-N -1 0 342.372 3.460 20 30 EGEDRM C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001602709522 971346518 /nfs/dbraw/zinc/34/65/18/971346518.db2.gz FVNCHNDTKHLCOC-UHFFFAOYSA-N -1 0 344.367 3.080 20 30 EGEDRM C=CC[C@@H]1CCN1C(=O)Nc1cc(C(=O)[O-])ccc1Br ZINC001602719109 971381998 /nfs/dbraw/zinc/38/19/98/971381998.db2.gz PUTSWPQRSYFJFI-SNVBAGLBSA-N -1 0 339.189 3.330 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)OCCCc1cccc2ccccc21 ZINC001602781805 971526745 /nfs/dbraw/zinc/52/67/45/971526745.db2.gz JRPMAIPNVBHFRE-LJQANCHMSA-N -1 0 325.364 3.320 20 30 EGEDRM CC(C)(C)c1cc2cccnc2c(NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1 ZINC001602782375 971528658 /nfs/dbraw/zinc/52/86/58/971528658.db2.gz UIOKKVPGRRLLNX-LJQANCHMSA-N -1 0 339.395 3.475 20 30 EGEDRM CCCC[C@@H](ON=C(C)C)C(=O)N[C@](C)(C(=O)[O-])c1ccccc1 ZINC001589639745 949670354 /nfs/dbraw/zinc/67/03/54/949670354.db2.gz KFGZVHCEEVHAFA-QAPCUYQASA-N -1 0 334.416 3.074 20 30 EGEDRM C#C[C@@](C)(CC)NC(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000384131161 971912493 /nfs/dbraw/zinc/91/24/93/971912493.db2.gz CHOJIGGNBVDTDW-AWEZNQCLSA-N -1 0 339.189 3.071 20 30 EGEDRM C[C@@H]1CCc2sc(NC(=O)[C@@H](C(=O)[O-])C3CC3)c(C#N)c2[C@@H]1C ZINC001589365800 954190697 /nfs/dbraw/zinc/19/06/97/954190697.db2.gz WMSOUMOWNSWHGW-NUPCCRGMSA-N -1 0 332.425 3.355 20 30 EGEDRM C[C@@H](COC(=O)[C@](C)(C#N)CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001589075285 955803931 /nfs/dbraw/zinc/80/39/31/955803931.db2.gz MCXAOZFLSHBVMF-BONVTDFDSA-N -1 0 343.301 3.357 20 30 EGEDRM N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H](C(=O)[O-])C2CC2)cc1 ZINC001594600948 956127824 /nfs/dbraw/zinc/12/78/24/956127824.db2.gz DPMLEIVEGCYENN-ROUUACIJSA-N -1 0 334.375 3.391 20 30 EGEDRM N#CC[C@@H](CC(=O)NC1(CC(=O)[O-])CCCCC1)c1ccccc1 ZINC001594606230 956179635 /nfs/dbraw/zinc/17/96/35/956179635.db2.gz QRIRBVOBNMMOPK-INIZCTEOSA-N -1 0 328.412 3.368 20 30 EGEDRM N#Cc1cc(F)c(C(=O)Nc2cccc(CCC(=O)[O-])c2)c(F)c1 ZINC001594615731 956234674 /nfs/dbraw/zinc/23/46/74/956234674.db2.gz CZRUNHKYVBFSHW-UHFFFAOYSA-N -1 0 330.290 3.106 20 30 EGEDRM N#Cc1cc(C(F)(F)F)cc(N2CCC[C@H](CCC(=O)[O-])C2)n1 ZINC001594616230 956238434 /nfs/dbraw/zinc/23/84/34/956238434.db2.gz LRDWHHOWDLFPSV-SNVBAGLBSA-N -1 0 327.306 3.053 20 30 EGEDRM N#Cc1ccc(N[C@H](Cc2ccccc2)C(=O)[O-])cc1Br ZINC001594624238 956302483 /nfs/dbraw/zinc/30/24/83/956302483.db2.gz UKVOOPKMMKOLKP-OAHLLOKOSA-N -1 0 345.196 3.429 20 30 EGEDRM N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001594626716 956319878 /nfs/dbraw/zinc/31/98/78/956319878.db2.gz FXAALQNQVDGRBF-HWYHOQROSA-N -1 0 336.347 3.056 20 30 EGEDRM CC1(C)CS/C(=N\Cc2ccccc2)N1C(=O)CCCC(=O)[O-] ZINC001589233732 956841509 /nfs/dbraw/zinc/84/15/09/956841509.db2.gz LQMQRCPGZAKKQW-VLGSPTGOSA-N -1 0 334.441 3.152 20 30 EGEDRM Cc1cc(C(=O)[O-])cc(C(=O)Nc2n[nH]c3cc(C#N)c(C)cc32)c1 ZINC001594288649 957801423 /nfs/dbraw/zinc/80/14/23/957801423.db2.gz BTOCGAXJQQWJCX-UHFFFAOYSA-N -1 0 334.335 3.002 20 30 EGEDRM Cc1cc(C(=O)[O-])cc(C(=O)Nc2sc3c(c2C#N)CCC3)c1 ZINC001594289211 957810486 /nfs/dbraw/zinc/81/04/86/957810486.db2.gz OFFDCAJDJGEBCN-UHFFFAOYSA-N -1 0 326.377 3.367 20 30 EGEDRM C#C[C@@H](NC(=O)NCc1ccccc1C(=O)[O-])c1ccc(Cl)cc1 ZINC001588386372 957977484 /nfs/dbraw/zinc/97/74/84/957977484.db2.gz PZLNIBPCPVLQBB-MRXNPFEDSA-N -1 0 342.782 3.212 20 30 EGEDRM COc1cc([C@@H](C)NC(=O)[C@@](C)(C#N)CC(=O)[O-])cc2ccccc21 ZINC001594052569 958003503 /nfs/dbraw/zinc/00/35/03/958003503.db2.gz NSOGOSZLRHSDIK-CWTRNNRKSA-N -1 0 340.379 3.030 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)Nc1ccc(S[C@@H](C)CC)cc1C ZINC001588412909 958154476 /nfs/dbraw/zinc/15/44/76/958154476.db2.gz MSJZUSBRIDACRW-ZDUSSCGKSA-N -1 0 334.441 3.437 20 30 EGEDRM C=C(C)COc1cccc(NC(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C)c1 ZINC001588443529 958354075 /nfs/dbraw/zinc/35/40/75/958354075.db2.gz SNUNVQGHCJYZII-KGLIPLIRSA-N -1 0 332.400 3.359 20 30 EGEDRM C#Cc1ccc([C@H](OC(=O)c2ccc(C(=O)[O-])cn2)C(F)(F)F)cc1 ZINC001573327619 958491043 /nfs/dbraw/zinc/49/10/43/958491043.db2.gz SIBNDHCVESIVMB-AWEZNQCLSA-N -1 0 349.264 3.222 20 30 EGEDRM C=CCn1c(COc2ccc(C)cc2)nnc1SCCCC(=O)[O-] ZINC001588472853 958547138 /nfs/dbraw/zinc/54/71/38/958547138.db2.gz RMBGCKVGLIGNHO-UHFFFAOYSA-N -1 0 347.440 3.308 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@H](CCCc2ccccc2)C1 ZINC001573359993 958589962 /nfs/dbraw/zinc/58/99/62/958589962.db2.gz OHXDJJMGMLKPQN-PXNSSMCTSA-N -1 0 342.439 3.252 20 30 EGEDRM Cc1ccc2c(c1C)C(=O)/C(=C\c1ccc(OCC(=O)[O-])cc1)CO2 ZINC000150946652 959038598 /nfs/dbraw/zinc/03/85/98/959038598.db2.gz AIWJYJDSPRPFDA-DHDCSXOGSA-N -1 0 338.359 3.426 20 30 EGEDRM CC(C)Oc1ccc(NC(=O)/C=C/c2ccc(C(=O)[O-])o2)cc1C#N ZINC001573554805 959248080 /nfs/dbraw/zinc/24/80/80/959248080.db2.gz GJSJBKFYLPHHTN-VMPITWQZSA-N -1 0 340.335 3.289 20 30 EGEDRM Cc1nc(NC[C@](C)(C(=O)[O-])c2ccccc2)c(Cl)cc1C#N ZINC001594459980 959443436 /nfs/dbraw/zinc/44/34/36/959443436.db2.gz BCRWPCPPFSRTNT-KRWDZBQOSA-N -1 0 329.787 3.370 20 30 EGEDRM C[C@@](NC(=O)c1cccc(SCC#N)c1)(C(=O)[O-])c1ccccc1 ZINC001573625742 959538328 /nfs/dbraw/zinc/53/83/28/959538328.db2.gz UEBOLTSNAPRFCW-SFHVURJKSA-N -1 0 340.404 3.032 20 30 EGEDRM Cc1c(C#N)cccc1NC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001594252933 959627780 /nfs/dbraw/zinc/62/77/80/959627780.db2.gz KPZKOZDALPJFET-INIZCTEOSA-N -1 0 335.363 3.083 20 30 EGEDRM CC(C)(C)CC[C@H](NC(=O)c1cccc(SCC#N)c1)C(=O)[O-] ZINC001588649382 959751439 /nfs/dbraw/zinc/75/14/39/959751439.db2.gz SPNBJQDCWRGASV-AWEZNQCLSA-N -1 0 334.441 3.312 20 30 EGEDRM CC(C)C[C@H](CNc1ccc(C#N)c(Br)c1)C(=O)[O-] ZINC000228169176 959999281 /nfs/dbraw/zinc/99/92/81/959999281.db2.gz FYOYOXFNWWROBA-LLVKDONJSA-N -1 0 325.206 3.480 20 30 EGEDRM N#Cc1ccc(N2CCC(CC(=O)[O-])CC2)c(F)c1Br ZINC000231842596 960210533 /nfs/dbraw/zinc/21/05/33/960210533.db2.gz XPENMHHGTZYHCT-UHFFFAOYSA-N -1 0 341.180 3.151 20 30 EGEDRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)Nc1sc2c(c1C#N)C[C@@H](C)C[C@@H]2C ZINC001573745803 960491082 /nfs/dbraw/zinc/49/10/82/960491082.db2.gz GSLCIWNTGLKURJ-HZLNVJGASA-N -1 0 332.425 3.355 20 30 EGEDRM CCCN(CCC)c1ccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])cc1 ZINC001573854991 961145400 /nfs/dbraw/zinc/14/54/00/961145400.db2.gz MQKBGEZMCRHVTJ-SFHVURJKSA-N -1 0 331.416 3.256 20 30 EGEDRM CC(C)(C)c1ccc([C@H](C#N)NC(=O)C2(C(=O)[O-])CC=CC2)cc1 ZINC001588739849 961163324 /nfs/dbraw/zinc/16/33/24/961163324.db2.gz YQCCJISMALMJJO-HNNXBMFYSA-N -1 0 326.396 3.086 20 30 EGEDRM N#CC[C@@H](CC(=O)N[C@H](C(=O)[O-])c1ccc(F)cc1)c1ccccc1 ZINC001574481090 961670189 /nfs/dbraw/zinc/67/01/89/961670189.db2.gz UQADVYGIFSDLMG-YJBOKZPZSA-N -1 0 340.354 3.155 20 30 EGEDRM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@]1(C(=O)[O-])CC1(C)C ZINC001588870986 962079155 /nfs/dbraw/zinc/07/91/55/962079155.db2.gz CGPBNGOEDXLMIU-IBGZPJMESA-N -1 0 328.412 3.044 20 30 EGEDRM C=C(C)C[C@@H](NCc1nc(-c2cccc(OC)c2)cs1)C(=O)[O-] ZINC001343426684 962166405 /nfs/dbraw/zinc/16/64/05/962166405.db2.gz BEHQXNHHKQXKMJ-CQSZACIVSA-N -1 0 332.425 3.328 20 30 EGEDRM C=C(C)CCC(=O)Nc1cccc(C(=O)N2CCCC[C@H]2C(=O)[O-])c1 ZINC001345107298 962228522 /nfs/dbraw/zinc/22/85/22/962228522.db2.gz FHHZUEJMFUQNHT-INIZCTEOSA-N -1 0 344.411 3.061 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC001573332777 962841972 /nfs/dbraw/zinc/84/19/72/962841972.db2.gz OTPIMVCOUWOZEL-OAHLLOKOSA-N -1 0 325.767 3.467 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1nc2c(s1)CCc1sccc1-2 ZINC001573338503 962874975 /nfs/dbraw/zinc/87/49/75/962874975.db2.gz CPDXBLMGQYSPDI-UHFFFAOYSA-N -1 0 334.422 3.330 20 30 EGEDRM C=CCN(C)C(=O)Nc1cc(C(=O)[O-])c(Br)cc1C ZINC000312002421 963527522 /nfs/dbraw/zinc/52/75/22/963527522.db2.gz RRWUUNNPTRDUHE-UHFFFAOYSA-N -1 0 327.178 3.105 20 30 EGEDRM N#Cc1ccc(C(=O)N2C[C@H](CCC(=O)[O-])Cc3ccccc32)cc1 ZINC000902822347 969570452 /nfs/dbraw/zinc/57/04/52/969570452.db2.gz VXTKXMSPWLJUHM-OAHLLOKOSA-N -1 0 334.375 3.242 20 30 EGEDRM CC(C)C[C@H](CNC(=O)N(C)[C@@H](C)c1cccc(C#N)c1)C(=O)[O-] ZINC001121899184 969682104 /nfs/dbraw/zinc/68/21/04/969682104.db2.gz AAZCGORDFVLCJZ-XJKSGUPXSA-N -1 0 331.416 3.008 20 30 EGEDRM C=C(C)Cn1c(-c2ccccc2Cl)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001609626311 970427990 /nfs/dbraw/zinc/42/79/90/970427990.db2.gz RWDLRWPCKHQALJ-GFCCVEGCSA-N -1 0 346.818 3.086 20 30 EGEDRM C[C@@H](C#N)CN(C)C(=O)Nc1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC000320926086 970729102 /nfs/dbraw/zinc/72/91/02/970729102.db2.gz IEBXLGTUCCFIOS-QMMMGPOBSA-N -1 0 329.278 3.027 20 30 EGEDRM C[C@@H]1CCc2sc(NC(=O)C3(C(=O)[O-])CCC3)c(C#N)c2[C@@H]1C ZINC001603438844 973209266 /nfs/dbraw/zinc/20/92/66/973209266.db2.gz FFLAEEFRQLIAOE-NXEZZACHSA-N -1 0 332.425 3.499 20 30 EGEDRM N#CCCCOc1cccc(NC(=O)[C@@H](C(=O)[O-])C2CCCC2)c1 ZINC001605581718 973861043 /nfs/dbraw/zinc/86/10/43/973861043.db2.gz JJOTZXJPTZRQNQ-INIZCTEOSA-N -1 0 330.384 3.199 20 30 EGEDRM N#CC[C@H](C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21)c1ccccc1 ZINC001605582252 973865425 /nfs/dbraw/zinc/86/54/25/973865425.db2.gz WYVFFJKAPRCMKS-JCGIZDLHSA-N -1 0 334.375 3.113 20 30 EGEDRM N#Cc1cc(Oc2ccc(NC(=O)C3(C(=O)[O-])CC=CC3)cc2)ccn1 ZINC001605597269 973897704 /nfs/dbraw/zinc/89/77/04/973897704.db2.gz KKBXRQAXSKJVBS-UHFFFAOYSA-N -1 0 349.346 3.105 20 30 EGEDRM N#Cc1cccc(CC(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)c1 ZINC001605617858 973938265 /nfs/dbraw/zinc/93/82/65/973938265.db2.gz YXFRQWMZOWIQAC-UHFFFAOYSA-N -1 0 340.404 3.378 20 30 EGEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc(C(=O)[O-])cc1F ZINC001591759314 975841973 /nfs/dbraw/zinc/84/19/73/975841973.db2.gz YQDGSAGJBYWFNX-UHFFFAOYSA-N -1 0 342.326 3.435 20 30 EGEDRM CC(C)Oc1ccc(NC(=S)NN=CCC(C)(C)C(=O)[O-])cc1 ZINC001591788809 975976509 /nfs/dbraw/zinc/97/65/09/975976509.db2.gz VXENFUVKCWCGPJ-UHFFFAOYSA-N -1 0 337.445 3.247 20 30 EGEDRM CC(C)c1sc(NC(=O)c2cccc(F)c2C#N)nc1C(=O)[O-] ZINC001592114843 976909415 /nfs/dbraw/zinc/90/94/15/976909415.db2.gz LHRNSHQMZFUBFG-UHFFFAOYSA-N -1 0 333.344 3.228 20 30 EGEDRM C[C@@H](CC#N)Sc1ccccc1NC(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001592225938 977413871 /nfs/dbraw/zinc/41/38/71/977413871.db2.gz QDTXHMQMUPNTLY-JTQLQIEISA-N -1 0 329.381 3.359 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1NN=Cc1c(Cl)nc2ccccn21 ZINC000756899390 978701174 /nfs/dbraw/zinc/70/11/74/978701174.db2.gz ZAMSWLNONHMDJI-UHFFFAOYSA-N -1 0 344.758 3.141 20 30 EGEDRM O=C([O-])c1ccc(N=NCc2cc(Cl)ccc2OC(F)F)nc1 ZINC000763371731 978722606 /nfs/dbraw/zinc/72/26/06/978722606.db2.gz JZLJQAHNSBYPGY-UHFFFAOYSA-N -1 0 341.701 3.481 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1NN=C(C)c1ccc(C#N)c(F)c1 ZINC000776777183 978775264 /nfs/dbraw/zinc/77/52/64/978775264.db2.gz WOCGKYIJUMIXBV-UHFFFAOYSA-N -1 0 327.315 3.240 20 30 EGEDRM COc1cc(F)ccc1NN=Cc1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000794940707 978831039 /nfs/dbraw/zinc/83/10/39/978831039.db2.gz ZEPQSIVUWBGLNE-NSHDSACASA-N -1 0 332.331 3.132 20 30 EGEDRM Cc1ccc(NC(=S)NN=C2CC[C@@H](CC(=O)[O-])[C@H]2C)cc1C ZINC000814713373 978875158 /nfs/dbraw/zinc/87/51/58/978875158.db2.gz MMYNDHTUYMMXDI-OLZOCXBDSA-N -1 0 333.457 3.467 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1NN=Cc1ncc(CSC)s1 ZINC000814886755 978895937 /nfs/dbraw/zinc/89/59/37/978895937.db2.gz IUHJWCMZJJUFLA-UHFFFAOYSA-N -1 0 337.426 3.159 20 30 EGEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC001592833802 979572445 /nfs/dbraw/zinc/57/24/45/979572445.db2.gz KBZUHMKVTOSSRD-PBHICJAKSA-N -1 0 348.402 3.342 20 30 EGEDRM CCOC(=O)NC1CCC(N=Nc2cccc(C(=O)[O-])c2C)CC1 ZINC000853370190 979605751 /nfs/dbraw/zinc/60/57/51/979605751.db2.gz GHKHBJKWCFABLQ-UHFFFAOYSA-N -1 0 333.388 3.150 20 30 EGEDRM C[C@H](Cc1ccc(NC(=O)N2CCC[C@H](CC#N)C2)cc1)C(=O)[O-] ZINC001592861238 979696571 /nfs/dbraw/zinc/69/65/71/979696571.db2.gz QIRUELFDXXBGKS-UKRRQHHQSA-N -1 0 329.400 3.107 20 30 EGEDRM CC[C@@](CNc1ccc(C#N)c([N+](=O)[O-])c1)(C(=O)[O-])c1ccccc1 ZINC001595172683 979744582 /nfs/dbraw/zinc/74/45/82/979744582.db2.gz LRTZPXKBEBLXTR-SFHVURJKSA-N -1 0 339.351 3.311 20 30 EGEDRM C#CCCOc1ccc(CN[C@@H](C)c2ncc(C(=O)[O-])s2)cc1 ZINC000901913185 980625317 /nfs/dbraw/zinc/62/53/17/980625317.db2.gz XFNHYSMURSDYNV-LBPRGKRZSA-N -1 0 330.409 3.094 20 30 EGEDRM N#CCCc1ccc(NC(=O)N2CCC(CCC(=O)[O-])CC2)cc1 ZINC000905058253 981088757 /nfs/dbraw/zinc/08/87/57/981088757.db2.gz LGCZWHROGOCHCB-UHFFFAOYSA-N -1 0 329.400 3.251 20 30 EGEDRM C#CCC1(C(=O)N[C@@H](CC(=O)[O-])Cc2ccccc2)CCCCC1 ZINC000908235841 981286473 /nfs/dbraw/zinc/28/64/73/981286473.db2.gz SHMHGSZMQCSQOB-QGZVFWFLSA-N -1 0 327.424 3.162 20 30 EGEDRM C=CCCC[C@@H](C(=O)NCc1nc(C(=O)[O-])co1)c1ccccc1 ZINC000909885170 981697688 /nfs/dbraw/zinc/69/76/88/981697688.db2.gz UHXILPVWYJFUGL-CQSZACIVSA-N -1 0 328.368 3.129 20 30 EGEDRM C=CCCC[C@H](C(=O)NCc1nc(C(=O)[O-])co1)c1ccccc1 ZINC000909885169 981697719 /nfs/dbraw/zinc/69/77/19/981697719.db2.gz UHXILPVWYJFUGL-AWEZNQCLSA-N -1 0 328.368 3.129 20 30 EGEDRM CCCN(Cc1ccc(C#N)cc1)C(=O)Cc1cccc(C(=O)[O-])c1 ZINC001595886043 982912683 /nfs/dbraw/zinc/91/26/83/982912683.db2.gz UFKUVKXBEUMMGG-UHFFFAOYSA-N -1 0 336.391 3.238 20 30 EGEDRM C#C[C@@H](CCC)NC(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC001588370585 983320354 /nfs/dbraw/zinc/32/03/54/983320354.db2.gz IAOCMQCUQLJDAD-AWEZNQCLSA-N -1 0 334.441 3.318 20 30 EGEDRM C#C[C@H](CCC)NC(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC001588370864 983322510 /nfs/dbraw/zinc/32/25/10/983322510.db2.gz PDWYMEGPAHAULL-CQSZACIVSA-N -1 0 343.427 3.299 20 30 EGEDRM C#C[C@H](NC(=O)Cc1cccc(C(=O)[O-])c1)c1ccc(Cl)cc1F ZINC001588372476 983331277 /nfs/dbraw/zinc/33/12/77/983331277.db2.gz LPPMHWHWCIJVPO-INIZCTEOSA-N -1 0 345.757 3.211 20 30 EGEDRM C#C[C@@H](NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F)c1ccc(F)cc1 ZINC001588374404 983343905 /nfs/dbraw/zinc/34/39/05/983343905.db2.gz WTMUJSDFTAPPPY-CQSZACIVSA-N -1 0 348.280 3.298 20 30 EGEDRM C#C[C@@H](NCc1cc(C)c(C(=O)[O-])[nH]1)c1ccc(Br)cc1 ZINC001588376676 983353538 /nfs/dbraw/zinc/35/35/38/983353538.db2.gz FYUNUGDLUYCIOK-CQSZACIVSA-N -1 0 347.212 3.248 20 30 EGEDRM C#C[C@@H](NCc1ccoc1C(=O)[O-])c1ccc(Br)cc1 ZINC001588377902 983359963 /nfs/dbraw/zinc/35/99/63/983359963.db2.gz RULZEZXTEFWKCL-CYBMUJFWSA-N -1 0 334.169 3.204 20 30 EGEDRM C#CCC1(NC(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)CCCCC1 ZINC001588427980 983459212 /nfs/dbraw/zinc/45/92/12/983459212.db2.gz UWVYSJFAWKJHID-UHFFFAOYSA-N -1 0 343.423 3.223 20 30 EGEDRM C#CCCOc1ccc(C(=O)N(CC(C)C)C(C)(C)C(=O)[O-])cc1 ZINC001588455398 983479437 /nfs/dbraw/zinc/47/94/37/983479437.db2.gz MGJCETOUHFMJSW-UHFFFAOYSA-N -1 0 331.412 3.050 20 30 EGEDRM C#CCN(Cc1ccc(F)cc1)C(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001588469501 983502268 /nfs/dbraw/zinc/50/22/68/983502268.db2.gz INQIZICUQMXBKB-UHFFFAOYSA-N -1 0 325.339 3.108 20 30 EGEDRM C#CCOc1ccccc1NC(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC001588504380 983547536 /nfs/dbraw/zinc/54/75/36/983547536.db2.gz AAVSIFHBFCCIHU-UHFFFAOYSA-N -1 0 348.358 3.059 20 30 EGEDRM C#Cc1cccc(CNC(=O)Nc2cc(C(=O)[O-])cc3cccnc32)c1 ZINC001588522322 983570719 /nfs/dbraw/zinc/57/07/19/983570719.db2.gz PSWIEVVJQSRWKD-UHFFFAOYSA-N -1 0 345.358 3.236 20 30 EGEDRM C=C(Br)CN[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001588529253 983580640 /nfs/dbraw/zinc/58/06/40/983580640.db2.gz URAWHISNEHNQPE-SNVBAGLBSA-N -1 0 338.123 3.486 20 30 EGEDRM C=C(C)[C@@H](CC(=O)Oc1ccc(/C=C/C(=O)[O-])cc1OC)OCC ZINC001588535617 983589788 /nfs/dbraw/zinc/58/97/88/983589788.db2.gz PDPFEJKVOOHVJG-LOWQCSRCSA-N -1 0 334.368 3.070 20 30 EGEDRM C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC001588546756 983616748 /nfs/dbraw/zinc/61/67/48/983616748.db2.gz CFJBAHHFJWCQCL-ZDUSSCGKSA-N -1 0 346.408 3.009 20 30 EGEDRM C=C(C)C[C@@H](NCc1cc(C(=O)[O-])ccc1Cl)C(=O)OCC ZINC001588553791 983628891 /nfs/dbraw/zinc/62/88/91/983628891.db2.gz SNSFBTNHTONERG-CQSZACIVSA-N -1 0 325.792 3.026 20 30 EGEDRM C=C(C)CCC(=O)N(CC(=O)[O-])Cc1cccc(Br)c1 ZINC001588554444 983630737 /nfs/dbraw/zinc/63/07/37/983630737.db2.gz HGLTYLXAYIFMQM-UHFFFAOYSA-N -1 0 340.217 3.219 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC001588622074 983721935 /nfs/dbraw/zinc/72/19/35/983721935.db2.gz OGWMFIQLFZAALR-KRWDZBQOSA-N -1 0 344.798 3.362 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N[C@H]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC001588622172 983722172 /nfs/dbraw/zinc/72/21/72/983722172.db2.gz QKKDDBPYIZFZDZ-KBPBESRZSA-N -1 0 341.411 3.126 20 30 EGEDRM C=C(CNC(=O)Nc1ccc(CC(=O)[O-])c(F)c1)c1ccccc1 ZINC001588637098 983758621 /nfs/dbraw/zinc/75/86/21/983758621.db2.gz GUBXIVCUIKCIDA-UHFFFAOYSA-N -1 0 328.343 3.288 20 30 EGEDRM C=C[C@@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-])c1ccccc1 ZINC001588663766 983796807 /nfs/dbraw/zinc/79/68/07/983796807.db2.gz KMYXHBNCPFZVRZ-APWZRJJASA-N -1 0 348.402 3.250 20 30 EGEDRM C=C[C@@](C)(CCOC)C(=O)NC[C@H](C(=O)[O-])C1CCCCCC1 ZINC001588681646 983841328 /nfs/dbraw/zinc/84/13/28/983841328.db2.gz BSRJHJQUEOMCOW-YJBOKZPZSA-N -1 0 325.449 3.003 20 30 EGEDRM C=C[C@](C)(CCOC)C(=O)NC[C@H](C(=O)[O-])C1CCCCCC1 ZINC001588681642 983841584 /nfs/dbraw/zinc/84/15/84/983841584.db2.gz BSRJHJQUEOMCOW-MAUKXSAKSA-N -1 0 325.449 3.003 20 30 EGEDRM C=C[C@@](C)(CCOC)C(=O)OCc1c(Cl)cccc1C(=O)[O-] ZINC001588682195 983843517 /nfs/dbraw/zinc/84/35/17/983843517.db2.gz IUVIWGNWSCFDAE-INIZCTEOSA-N -1 0 326.776 3.310 20 30 EGEDRM C=C[C@@H](Sc1nnc(-c2cccs2)n1Cc1ccco1)C(=O)[O-] ZINC001588714734 983952681 /nfs/dbraw/zinc/95/26/81/983952681.db2.gz MCJHNVKDSNDMAX-LLVKDONJSA-N -1 0 347.421 3.379 20 30 EGEDRM C=CC[C@@H](CC)NC(=O)NCCc1cc2ccc(C(=O)[O-])cc2o1 ZINC001588735480 984018489 /nfs/dbraw/zinc/01/84/89/984018489.db2.gz ASPRNBKYJVERGL-CQSZACIVSA-N -1 0 330.384 3.327 20 30 EGEDRM C=CCC1(C(=O)N2CC[C@](C(=O)[O-])(c3ccccc3)C2)CCCC1 ZINC001588762202 984115405 /nfs/dbraw/zinc/11/54/05/984115405.db2.gz GUCDIGPUPMXWTP-HXUWFJFHSA-N -1 0 327.424 3.378 20 30 EGEDRM C=CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC001588771690 984140709 /nfs/dbraw/zinc/14/07/09/984140709.db2.gz XXRVMSGNXCPSTN-KGLIPLIRSA-N -1 0 337.441 3.106 20 30 EGEDRM C=CC[C@@H]1N(S(=O)(=O)c2cccc(C(=O)[O-])c2)CCCC1(C)C ZINC001588773588 984148193 /nfs/dbraw/zinc/14/81/93/984148193.db2.gz APRIWSIFYKEJER-HNNXBMFYSA-N -1 0 337.441 3.140 20 30 EGEDRM C=CCC[C@@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1C(=O)[O-] ZINC001588782489 984172181 /nfs/dbraw/zinc/17/21/81/984172181.db2.gz VVFUCJJPVSONRO-LLVKDONJSA-N -1 0 343.832 3.158 20 30 EGEDRM C=CCCC[C@@H](NC(=O)COc1ccc2ccccc2c1)C(=O)[O-] ZINC001588788592 984190910 /nfs/dbraw/zinc/19/09/10/984190910.db2.gz HXQVPZZMYVNHLL-QGZVFWFLSA-N -1 0 327.380 3.144 20 30 EGEDRM C=CCCC[C@@H](NC(=O)Cc1c(CC)oc2ccccc21)C(=O)[O-] ZINC001588789166 984197906 /nfs/dbraw/zinc/19/79/06/984197906.db2.gz ZZHXEWNQDSDJMU-OAHLLOKOSA-N -1 0 329.396 3.463 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1cccc(Oc2nccs2)c1)C(=O)[O-] ZINC001588792937 984214227 /nfs/dbraw/zinc/21/42/27/984214227.db2.gz HMSBIFRTPBHDSC-AWEZNQCLSA-N -1 0 346.408 3.475 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1cccc(C(=O)OC(C)(C)C)c1)C(=O)[O-] ZINC001588793461 984218774 /nfs/dbraw/zinc/21/87/74/984218774.db2.gz QXPOECJMHJCKDT-OAHLLOKOSA-N -1 0 347.411 3.181 20 30 EGEDRM C=CCOc1ccc(CC(=O)Nc2cccc(F)c2C(=O)[O-])cc1 ZINC001588873463 984444212 /nfs/dbraw/zinc/44/42/12/984444212.db2.gz AWQFAKZHWAKUIP-UHFFFAOYSA-N -1 0 329.327 3.270 20 30 EGEDRM C=CCOc1ccc(C(=O)Oc2cccc(C(=O)[O-])c2)cc1OC ZINC001588874550 984448474 /nfs/dbraw/zinc/44/84/74/984448474.db2.gz AYHUOTPDAZXDAF-UHFFFAOYSA-N -1 0 328.320 3.177 20 30 EGEDRM C=CCn1c(S[C@H](C(=O)[O-])[C@@H](C)CC)nnc1-c1cccnc1 ZINC001588905006 984534256 /nfs/dbraw/zinc/53/42/56/984534256.db2.gz LXOGUQMJLOKRBZ-AAEUAGOBSA-N -1 0 332.429 3.118 20 30 EGEDRM C=CCn1c(S[C@@H](Cc2ccc(C)cc2)C(=O)[O-])nnc1C1CC1 ZINC001588905130 984535777 /nfs/dbraw/zinc/53/57/77/984535777.db2.gz QRGGEDAFEBMBET-HNNXBMFYSA-N -1 0 343.452 3.438 20 30 EGEDRM C=CCn1c(SCc2ccc(C(=O)[O-])cn2)nnc1-c1ccco1 ZINC001588907789 984540621 /nfs/dbraw/zinc/54/06/21/984540621.db2.gz XJABBZMNBHOZDH-UHFFFAOYSA-N -1 0 342.380 3.110 20 30 EGEDRM C=CCn1cc2ccc(NC(=O)NCCCCCCC(=O)[O-])cc2n1 ZINC001588909009 984541206 /nfs/dbraw/zinc/54/12/06/984541206.db2.gz DXZWFMRYXHPCPK-UHFFFAOYSA-N -1 0 344.415 3.379 20 30 EGEDRM CC#CCCCC(=O)N[C@@H](C[C@@H]1CCCc2ccccc21)C(=O)[O-] ZINC001588925892 984589895 /nfs/dbraw/zinc/58/98/95/984589895.db2.gz ZIRZAVBIBKSOMX-WMZOPIPTSA-N -1 0 327.424 3.260 20 30 EGEDRM C[C@H](CC(=O)[O-])OC(=O)c1cccc(COc2ccccc2C#N)c1 ZINC001599890638 984689268 /nfs/dbraw/zinc/68/92/68/984689268.db2.gz UWVYJJOCAGFAMM-CYBMUJFWSA-N -1 0 339.347 3.157 20 30 EGEDRM CC(=NOCc1ccc(C)nc1Cl)c1ccc(OCC(=O)[O-])cc1 ZINC001589021721 985014422 /nfs/dbraw/zinc/01/44/22/985014422.db2.gz UHPZQRWJCIERAS-UHFFFAOYSA-N -1 0 348.786 3.448 20 30 EGEDRM CCO[C@H]1CC(N=Nc2ccc(C(=O)[O-])c(Cl)c2)[C@@H]1SC ZINC001596804639 985327001 /nfs/dbraw/zinc/32/70/01/985327001.db2.gz KFQIWJFCVZSCNL-STQMWFEESA-N -1 0 328.821 3.347 20 30 EGEDRM Cc1[nH]c(C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)c(C)c1C(=O)[O-] ZINC001599949792 985588843 /nfs/dbraw/zinc/58/88/43/985588843.db2.gz URKRTDWNGFHFAK-LBPRGKRZSA-N -1 0 325.368 3.035 20 30 EGEDRM C[C@](C#N)(CCc1ccccc1)NC(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC001589323567 986146548 /nfs/dbraw/zinc/14/65/48/986146548.db2.gz FUJZAONEWMISBR-IBHIWXBSSA-N -1 0 338.363 3.022 20 30 EGEDRM Cc1c2cc(C#N)ccc2sc1C(=O)NCc1cc(C(=O)[O-])co1 ZINC001599981147 986164689 /nfs/dbraw/zinc/16/46/89/986164689.db2.gz AJWSZXUCRLCGCI-UHFFFAOYSA-N -1 0 340.360 3.303 20 30 EGEDRM C[C@H](C#N)OCCNc1cc(C(=O)[O-])ccc1OCc1ccccc1 ZINC001589331739 986191051 /nfs/dbraw/zinc/19/10/51/986191051.db2.gz NLJKZLVIYBYXCC-CQSZACIVSA-N -1 0 340.379 3.304 20 30 EGEDRM CCOc1ccc(NC(=S)NN=C2CCC[C@H](C(=O)[O-])C2)cc1 ZINC001597123014 986822590 /nfs/dbraw/zinc/82/25/90/986822590.db2.gz JRAJGHGDXRNMTC-NSHDSACASA-N -1 0 335.429 3.003 20 30 EGEDRM CCOc1cccc(/C=N\[C@H](Cc2ccc(F)cc2)C(=O)[O-])c1O ZINC001597150122 986924181 /nfs/dbraw/zinc/92/41/81/986924181.db2.gz PCMGNCBUPMAAKV-UWOKGBPVSA-N -1 0 331.343 3.045 20 30 EGEDRM CC[C@H](C#N)C(=O)N(C)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001594722080 987208679 /nfs/dbraw/zinc/20/86/79/987208679.db2.gz ICOLDQOJBBDQCU-PELKAZGASA-N -1 0 329.183 3.127 20 30 EGEDRM CC(C)(C(=O)[O-])[C@@H]1CCCN(c2ncc(C#N)c3ccsc32)C1 ZINC001589616905 987486763 /nfs/dbraw/zinc/48/67/63/987486763.db2.gz JKTKAFJVOKVAQD-GFCCVEGCSA-N -1 0 329.425 3.495 20 30 EGEDRM CC(C)(C(=O)[O-])c1csc(NC(=O)[C@@]2(C#N)CC3CCC2CC3)n1 ZINC001589649615 987592108 /nfs/dbraw/zinc/59/21/08/987592108.db2.gz WXAXVMVKULWZOX-NQMJSUOBSA-N -1 0 347.440 3.164 20 30 EGEDRM CCc1ccc(C#CC(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1 ZINC001597495006 988040318 /nfs/dbraw/zinc/04/03/18/988040318.db2.gz NYXXZKAIVHVHEE-FOIQADDNSA-N -1 0 335.403 3.179 20 30 EGEDRM CCc1ccc(C#CC(=O)N[C@]2(C(=O)[O-])CCCC(C)(C)C2)cc1 ZINC001597495378 988042468 /nfs/dbraw/zinc/04/24/68/988042468.db2.gz UPPGBDMGJJDLRN-HXUWFJFHSA-N -1 0 327.424 3.140 20 30 EGEDRM CCc1nc(NC(=O)c2c(C)cc(C#N)cc2C)sc1C(=O)[O-] ZINC001597681951 988817570 /nfs/dbraw/zinc/81/75/70/988817570.db2.gz LSUTVYWAIQKKIZ-UHFFFAOYSA-N -1 0 329.381 3.145 20 30 EGEDRM CC(C)(C)Oc1ccc(NC(=O)c2cncc(C(=O)[O-])c2)cc1C#N ZINC001590410099 989951493 /nfs/dbraw/zinc/95/14/93/989951493.db2.gz XLEBCHJUBORPSK-UHFFFAOYSA-N -1 0 339.351 3.081 20 30 EGEDRM CC(C)(C)c1nc(NC(=O)Cc2ccc(C#N)cc2)sc1C(=O)[O-] ZINC001590545026 990178657 /nfs/dbraw/zinc/17/86/57/990178657.db2.gz OOLOBKGLNLVNED-UHFFFAOYSA-N -1 0 343.408 3.192 20 30 EGEDRM CC(C)(CC(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1)C(F)(F)F ZINC001590648860 990335365 /nfs/dbraw/zinc/33/53/65/990335365.db2.gz KRELBRZJRKFPNC-LBPRGKRZSA-N -1 0 329.274 3.206 20 30 EGEDRM CC(C)(C)Oc1ccc(NC(=O)NCC(C)(C)CC(=O)[O-])cc1C#N ZINC001590734181 990526588 /nfs/dbraw/zinc/52/65/88/990526588.db2.gz BRELHORFVIMQDD-UHFFFAOYSA-N -1 0 347.415 3.358 20 30 EGEDRM COc1nsc(CNc2ccc(C3CC3)c(C#N)c2)c1C(=O)[O-] ZINC001599742198 991874556 /nfs/dbraw/zinc/87/45/56/991874556.db2.gz WKWYESJEAIHHOX-UHFFFAOYSA-N -1 0 329.381 3.211 20 30 EGEDRM C[C@@H](NC(=O)N1CCc2cccc(C(=O)[O-])c2C1)c1cccc(C#N)c1 ZINC001593071802 993627338 /nfs/dbraw/zinc/62/73/38/993627338.db2.gz YNYLQWRLGNXMGY-CYBMUJFWSA-N -1 0 349.390 3.085 20 30 EGEDRM COc1ccc(O)c(C=Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)c1 ZINC001599598251 993778050 /nfs/dbraw/zinc/77/80/50/993778050.db2.gz JFMFZPCSVGDFGI-UHFFFAOYSA-N -1 0 330.296 3.066 20 30 EGEDRM C[C@@H](OC(=O)C(C)(C)c1ccc(C#N)cc1)c1cc(C(=O)[O-])co1 ZINC001593485281 995446602 /nfs/dbraw/zinc/44/66/02/995446602.db2.gz PYLBKCVDZZMQHP-LLVKDONJSA-N -1 0 327.336 3.431 20 30 EGEDRM C[C@H](Oc1ccc(NC(=O)CC#Cc2ccccc2)cc1F)C(=O)[O-] ZINC001593624500 995887288 /nfs/dbraw/zinc/88/72/88/995887288.db2.gz ORRABDWMMFJCPV-ZDUSSCGKSA-N -1 0 341.338 3.058 20 30 EGEDRM C[C@]1(C#N)CCCN(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)C1 ZINC001593739480 996352941 /nfs/dbraw/zinc/35/29/41/996352941.db2.gz IIHJJHZJXOYZBO-HDMKZQKVSA-N -1 0 327.384 3.032 20 30 EGEDRM CC1(C)CCC[C@](NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)(C(=O)[O-])C1 ZINC001593893059 996745868 /nfs/dbraw/zinc/74/58/68/996745868.db2.gz WZICFYCMFNRDOR-RZQQEMMASA-N -1 0 340.423 3.202 20 30 EGEDRM COc1cc(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)c(F)cc1C#N ZINC001599433430 997799531 /nfs/dbraw/zinc/79/95/31/997799531.db2.gz SGDSPYFTQYANJX-UHFFFAOYSA-N -1 0 346.358 3.070 20 30 EGEDRM COC(=O)c1cc(Cl)ccc1C(=O)/C=C/c1ccc(C(=O)[O-])[nH]1 ZINC001598936298 997872052 /nfs/dbraw/zinc/87/20/52/997872052.db2.gz ZPCGGKXUDNYEHL-QPJJXVBHSA-N -1 0 333.727 3.049 20 30 EGEDRM COc1ccc(/C=C/C(=O)OCc2cccc(C(=O)[O-])c2C#N)cc1 ZINC001599544258 997897154 /nfs/dbraw/zinc/89/71/54/997897154.db2.gz NHOGOKKTHNFAMW-JXMROGBWSA-N -1 0 337.331 3.022 20 30 EGEDRM COc1ccc(/C=C/C(=O)[O-])cc1Oc1cc(C#N)nc(C2CC2)n1 ZINC001599547584 997949932 /nfs/dbraw/zinc/94/99/32/997949932.db2.gz VYLKNNQIWYEPAI-XVNBXDOJSA-N -1 0 337.335 3.124 20 30 EGEDRM COc1cc(Br)cc(Nc2ccc(C(=O)[O-])nc2C#N)c1 ZINC001599346959 998024612 /nfs/dbraw/zinc/02/46/12/998024612.db2.gz WHAWYBFTXALZLS-UHFFFAOYSA-N -1 0 348.156 3.166 20 30 EGEDRM C[C@@H]1CCN(CC#Cc2ccc(C(F)(F)F)cc2)[C@H](C(=O)[O-])C1 ZINC001594423603 999581830 /nfs/dbraw/zinc/58/18/30/999581830.db2.gz USSHDFSDUURENG-DOMZBBRYSA-N -1 0 325.330 3.242 20 30 EGEDRM N#Cc1ccc(/C=C(/C(=O)C(=O)[O-])c2ccc3ccccc3n2)cc1 ZINC000032642035 202230439 /nfs/dbraw/zinc/23/04/39/202230439.db2.gz YOLMTLQXWPYPOO-LFIBNONCSA-N -1 0 328.327 3.301 20 30 EGEDRM C=CCc1cc(C(=O)NCC(CC)(CC)C(=O)[O-])cc(OC)c1OC ZINC000262202600 201203275 /nfs/dbraw/zinc/20/32/75/201203275.db2.gz UVGLJXSCUHVTTQ-UHFFFAOYSA-N -1 0 349.427 3.053 20 30 EGEDRM C[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000071883901 203136847 /nfs/dbraw/zinc/13/68/47/203136847.db2.gz OVKUIJLNPORBGS-HTRCEHHLSA-N -1 0 325.283 3.146 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)nc1 ZINC000051953483 205607663 /nfs/dbraw/zinc/60/76/63/205607663.db2.gz LUESBSWCOFOADS-UHFFFAOYSA-N -1 0 328.180 3.061 20 30 EGEDRM COc1ccc([N-]S(=O)(=O)c2ccccc2C#N)cc1OC(C)C ZINC000185635018 144116864 /nfs/dbraw/zinc/11/68/64/144116864.db2.gz HLMIYADNHYEBQX-UHFFFAOYSA-N -1 0 346.408 3.155 20 30 EGEDRM N#Cc1cc([N-]S(=O)(=O)c2cccc(F)c2F)nc2ccccc12 ZINC000351227843 144260252 /nfs/dbraw/zinc/26/02/52/144260252.db2.gz VQRLFPXHKUJPQI-UHFFFAOYSA-N -1 0 345.330 3.185 20 30 EGEDRM N#Cc1cc([N-]S(=O)(=O)c2cccc(F)c2)nc2ccccc12 ZINC000351227853 144260454 /nfs/dbraw/zinc/26/04/54/144260454.db2.gz VTVLDOKVXZGYPG-UHFFFAOYSA-N -1 0 327.340 3.046 20 30 EGEDRM CC(C)n1cc(C#N)c(=NC(=O)c2ccc(-c3cccs3)o2)[n-]1 ZINC000341152131 155193424 /nfs/dbraw/zinc/19/34/24/155193424.db2.gz IOBKCSHVWNXNMU-UHFFFAOYSA-N -1 0 326.381 3.331 20 30 EGEDRM N#Cc1cccc(S(=O)(=O)Nc2ccc(-c3cnco3)cc2)c1 ZINC000119777751 152228268 /nfs/dbraw/zinc/22/82/68/152228268.db2.gz OZUXJVORKZPFAA-UHFFFAOYSA-N -1 0 325.349 3.014 20 30 EGEDRM COc1ccsc1S(=O)(=O)[N-]c1ccc(Cl)c(C#N)c1 ZINC000120688391 152293404 /nfs/dbraw/zinc/29/34/04/152293404.db2.gz AXUBNHJRVKUHRS-UHFFFAOYSA-N -1 0 328.802 3.083 20 30 EGEDRM CCCNc1ccc(C#N)cc1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000175791571 152888786 /nfs/dbraw/zinc/88/87/86/152888786.db2.gz UYBIGISOSBOABZ-UHFFFAOYSA-N -1 0 340.339 3.246 20 30 EGEDRM Cc1[nH]nc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)c1C#N ZINC000185648479 152988221 /nfs/dbraw/zinc/98/82/21/152988221.db2.gz FLNVIEXSNNUSCI-UHFFFAOYSA-N -1 0 338.392 3.058 20 30 EGEDRM Cc1ccc([N-]S(=O)(=O)c2cncc(C#N)c2)cc1C(F)(F)F ZINC000324446202 154173373 /nfs/dbraw/zinc/17/33/73/154173373.db2.gz WIIXIFAWFITMMV-UHFFFAOYSA-N -1 0 341.314 3.081 20 30 EGEDRM Cc1ccc(C(=O)[O-])cc1NC(=O)CSCc1ccc(C#N)cc1 ZINC000096749555 162044050 /nfs/dbraw/zinc/04/40/50/162044050.db2.gz QVCFGFMEQPXMIV-UHFFFAOYSA-N -1 0 340.404 3.437 20 30 EGEDRM CCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)o2)cc1Cl ZINC000361133485 167532264 /nfs/dbraw/zinc/53/22/64/167532264.db2.gz XFPVWHVMZVXMOT-UHFFFAOYSA-N -1 0 326.761 3.004 20 30 EGEDRM N#Cc1cccc(S(=O)(=O)[N-]C(=O)C2C3CC4CC(C3)CC2C4)c1 ZINC000048600745 270037807 /nfs/dbraw/zinc/03/78/07/270037807.db2.gz FHIXEPKJIPWWRJ-UHFFFAOYSA-N -1 0 344.436 3.276 20 30 EGEDRM CC(=Cc1coc(-c2ccc(C)cc2)n1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000435338434 270051120 /nfs/dbraw/zinc/05/11/20/270051120.db2.gz DMJHSZYVABNABK-WQLSENKSSA-N -1 0 332.363 3.474 20 30 EGEDRM CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164155673 266051570 /nfs/dbraw/zinc/05/15/70/266051570.db2.gz GHNJXUQTFJXOAM-UHFFFAOYSA-N -1 0 339.351 3.224 20 30 EGEDRM COc1cccc([C@H](C)CCCC(=O)Nc2nc(C#N)c(C#N)[n-]2)c1 ZINC000279150590 266891803 /nfs/dbraw/zinc/89/18/03/266891803.db2.gz BRGWUPVWSNJWNG-GFCCVEGCSA-N -1 0 337.383 3.074 20 30 EGEDRM CCOC(=O)Nc1ccc(NC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000492608797 267128702 /nfs/dbraw/zinc/12/87/02/267128702.db2.gz MUEFYALTYGOHEN-UHFFFAOYSA-N -1 0 325.324 3.085 20 30 EGEDRM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000439246631 267354736 /nfs/dbraw/zinc/35/47/36/267354736.db2.gz LRLDYQDOZJMCDH-UHFFFAOYSA-N -1 0 339.779 3.193 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2cccc3ccn(C)c32)ccc1C#N ZINC000435715315 268020223 /nfs/dbraw/zinc/02/02/23/268020223.db2.gz PNRNYAWJZWFRFK-UHFFFAOYSA-N -1 0 325.393 3.159 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)nc1 ZINC000174002690 268161970 /nfs/dbraw/zinc/16/19/70/268161970.db2.gz KBZIEIFXKBFVRB-UHFFFAOYSA-N -1 0 328.180 3.061 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nc3c(s2)CCCCCC3)o1 ZINC000289910728 268209346 /nfs/dbraw/zinc/20/93/46/268209346.db2.gz ZFPICMCUAWSLKD-UHFFFAOYSA-N -1 0 337.426 3.068 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cnoc2-c2ccccc2)cc1F ZINC000427296654 268260998 /nfs/dbraw/zinc/26/09/98/268260998.db2.gz PEGIVOOGGZFDCK-UHFFFAOYSA-N -1 0 343.339 3.153 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2noc3ccccc32)c(Cl)c1 ZINC000438983720 268261151 /nfs/dbraw/zinc/26/11/51/268261151.db2.gz CJUOUQDBGBFPNN-UHFFFAOYSA-N -1 0 333.756 3.154 20 30 EGEDRM CC(C)(C)n1cc(C#N)c([N-]S(=O)(=O)c2cc3ccccc3o2)n1 ZINC000123174855 307536650 /nfs/dbraw/zinc/53/66/50/307536650.db2.gz SGCBPVVTSGCYTQ-UHFFFAOYSA-N -1 0 344.396 3.057 20 30 EGEDRM CCCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccccc1C#N ZINC000161296682 307901413 /nfs/dbraw/zinc/90/14/13/307901413.db2.gz RJSSOQSXXJAEFZ-UHFFFAOYSA-N -1 0 334.372 3.287 20 30 EGEDRM N#Cc1ccc(C(=O)[O-])nc1/C=C\c1cc(O)ccc1Br ZINC000255064979 308039077 /nfs/dbraw/zinc/03/90/77/308039077.db2.gz HXXKQAJBXDVINL-KTAJNNJTSA-N -1 0 345.152 3.290 20 30 EGEDRM COc1ccccc1N=c1[n-]nc(Sc2cccc(C#N)n2)s1 ZINC000535887891 314082142 /nfs/dbraw/zinc/08/21/42/314082142.db2.gz LOMGROZLHQYMRJ-UHFFFAOYSA-N -1 0 341.421 3.130 20 30 EGEDRM C/C=C\c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2OC)cc1 ZINC000554690349 315342739 /nfs/dbraw/zinc/34/27/39/315342739.db2.gz VDRFOCAGEFHDGL-ARJAWSKDSA-N -1 0 328.393 3.401 20 30 EGEDRM CC(C)n1cc(C#N)c(=NC(=O)c2ccc(Oc3ccccc3)cn2)[n-]1 ZINC000572924058 317409817 /nfs/dbraw/zinc/40/98/17/317409817.db2.gz RCUKSOZGEQCTDP-UHFFFAOYSA-N -1 0 347.378 3.197 20 30 EGEDRM C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000236448921 456156122 /nfs/dbraw/zinc/15/61/22/456156122.db2.gz NKAFPSUGEUWJFN-WDEREUQCSA-N -1 0 327.833 3.417 20 30 EGEDRM C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1c([O-])cc(Cl)cc1Cl ZINC000334087411 456299085 /nfs/dbraw/zinc/29/90/85/456299085.db2.gz NXEOZASUNCMLTE-YMTOWFKASA-N -1 0 330.211 3.410 20 30 EGEDRM N#Cc1c[nH]c(C(=O)Nc2cc(Cl)cc(Br)c2[O-])c1 ZINC000174916419 323313146 /nfs/dbraw/zinc/31/31/46/323313146.db2.gz XALGRNFWWNSCKE-UHFFFAOYSA-N -1 0 340.564 3.260 20 30 EGEDRM CC(C)n1cc(N=c2[n-]nc(-c3ccc(C#N)cc3)n2C(C)C)cn1 ZINC000576886368 324700277 /nfs/dbraw/zinc/70/02/77/324700277.db2.gz JZRDAYLCRQCRNH-UHFFFAOYSA-N -1 0 335.415 3.341 20 30 EGEDRM C=CCCSCC[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000594818956 459159152 /nfs/dbraw/zinc/15/91/52/459159152.db2.gz WNEWSYLHFNQSCP-UHFFFAOYSA-N -1 0 341.832 3.206 20 30 EGEDRM C=CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1C ZINC000007054201 453024136 /nfs/dbraw/zinc/02/41/36/453024136.db2.gz IEFRPZMZKUHTIC-UHFFFAOYSA-N -1 0 344.436 3.020 20 30 EGEDRM C=CC1CCN(C(=O)C[C@@]2(C(=O)[O-])CCCc3ccccc32)CC1 ZINC000634904593 460593796 /nfs/dbraw/zinc/59/37/96/460593796.db2.gz SUKIJQGQPAEWSZ-FQEVSTJZSA-N -1 0 327.424 3.160 20 30 EGEDRM C[C@@H]1CN(c2c(C#N)cnc3ccc(Cl)cc32)CC[C@H]1C(=O)[O-] ZINC000600801519 460609730 /nfs/dbraw/zinc/60/97/30/460609730.db2.gz RCZULUYOIZLNHO-ZWNOBZJWSA-N -1 0 329.787 3.307 20 30 EGEDRM N#Cc1nc(NC(=O)c2ccc(-c3ccccc3Cl)o2)[n-]c1C#N ZINC000026272125 453795380 /nfs/dbraw/zinc/79/53/80/453795380.db2.gz XVGHHBLGHUUDHC-UHFFFAOYSA-N -1 0 337.726 3.319 20 30 EGEDRM COc1ccc2cc([C@H](C)C(=O)Nc3nc(C#N)c(C#N)[n-]3)ccc2c1 ZINC000026272081 453795457 /nfs/dbraw/zinc/79/54/57/453795457.db2.gz JECQLKFPCWAYGT-NSHDSACASA-N -1 0 345.362 3.057 20 30 EGEDRM N#Cc1nc(NC(=O)c2ccc(-c3ccc(F)cc3)s2)[n-]c1C#N ZINC000026271999 453795537 /nfs/dbraw/zinc/79/55/37/453795537.db2.gz NLWJJUPJUKIIEO-UHFFFAOYSA-N -1 0 337.339 3.273 20 30 EGEDRM Cc1cccc2sc([N-]S(=O)(=O)c3cccc(C#N)c3)nc21 ZINC000028577709 453823983 /nfs/dbraw/zinc/82/39/83/453823983.db2.gz QDKVHYJNMMHGBJ-UHFFFAOYSA-N -1 0 329.406 3.277 20 30 EGEDRM C=C[C@H](CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])c1ccccc1 ZINC000190731196 455375215 /nfs/dbraw/zinc/37/52/15/455375215.db2.gz NMOQONYLVWBLNA-BEFAXECRSA-N -1 0 335.403 3.384 20 30 EGEDRM N#CC(=C([O-])c1nn(-c2ccc(F)cc2)c2c1CCC2)c1ccccn1 ZINC000041491993 453968793 /nfs/dbraw/zinc/96/87/93/453968793.db2.gz JIWCKZULYXOCEX-INIZCTEOSA-N -1 0 346.365 3.385 20 30 EGEDRM Cc1cc(-n2cncn2)ccc1C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000076843274 454042794 /nfs/dbraw/zinc/04/27/94/454042794.db2.gz JWGDNESDKLKPSH-HNNXBMFYSA-N -1 0 343.346 3.207 20 30 EGEDRM Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cccc(Cl)c1[O-] ZINC000077012857 454060421 /nfs/dbraw/zinc/06/04/21/454060421.db2.gz MNAVFJLNEHAUJU-UHFFFAOYSA-N -1 0 346.818 3.344 20 30 EGEDRM N#CC(=C([O-])c1n[nH]c2c1CCCCC2)c1cnc2ccccc2n1 ZINC000190928239 455407626 /nfs/dbraw/zinc/40/76/26/455407626.db2.gz HPSUKIKZYUKYOY-CYBMUJFWSA-N -1 0 331.379 3.112 20 30 EGEDRM Cc1ccc([N+](=O)[O-])c(C([O-])=C(C#N)c2cnc3ccccc3n2)c1 ZINC000190887278 455398351 /nfs/dbraw/zinc/39/83/51/455398351.db2.gz NRLRCSLGKHAQFG-ZDUSSCGKSA-N -1 0 332.319 3.337 20 30 EGEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000057125700 454104104 /nfs/dbraw/zinc/10/41/04/454104104.db2.gz UVELEYLUOZNCIS-UHFFFAOYSA-N -1 0 338.335 3.036 20 30 EGEDRM C[C@H](CC(=O)[N-]S(=O)(=O)c1c(Cl)nc2ccccn21)C1CC1 ZINC000069978850 454162057 /nfs/dbraw/zinc/16/20/57/454162057.db2.gz ZRHGDAIRMKUPFZ-SECBINFHSA-N -1 0 341.820 3.069 20 30 EGEDRM CCc1noc(C)c1C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000058379567 454196265 /nfs/dbraw/zinc/19/62/65/454196265.db2.gz KURWSGXFWWVHJK-UHFFFAOYSA-N -1 0 346.767 3.031 20 30 EGEDRM CC(C)c1cccc(S(=O)(=O)[N-]C(=O)CCc2cccnc2)c1 ZINC000095443401 454213337 /nfs/dbraw/zinc/21/33/37/454213337.db2.gz KLMKPOUJWVNCIF-UHFFFAOYSA-N -1 0 332.425 3.483 20 30 EGEDRM O=C(C=Cc1cncc(F)c1)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000095443012 454213359 /nfs/dbraw/zinc/21/33/59/454213359.db2.gz ZNLDLRFOYBVDGR-HNQUOIGGSA-N -1 0 346.792 3.294 20 30 EGEDRM C=C(C)C[C@H](NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000600875522 460627639 /nfs/dbraw/zinc/62/76/39/460627639.db2.gz UDBMALQBSZLAHT-ZDUSSCGKSA-N -1 0 334.372 3.042 20 30 EGEDRM Cc1csc([C@H](C#N)C(=O)c2cnc3c(cnn3CC(C)C)c2)n1 ZINC000119752986 454217965 /nfs/dbraw/zinc/21/79/65/454217965.db2.gz PNILXQYBPNYMDC-CQSZACIVSA-N -1 0 339.424 3.342 20 30 EGEDRM N#CC(=C([O-])c1cnc([C@@H]2CCCO2)s1)c1nc2ccccc2[nH]1 ZINC000089964411 454247943 /nfs/dbraw/zinc/24/79/43/454247943.db2.gz XIUBHVLJPHBBGN-GWCFXTLKSA-N -1 0 338.392 3.361 20 30 EGEDRM C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000078544074 454273393 /nfs/dbraw/zinc/27/33/93/454273393.db2.gz DTRNYFGPMZBFCC-UHFFFAOYSA-N -1 0 348.380 3.351 20 30 EGEDRM C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000063341097 454407942 /nfs/dbraw/zinc/40/79/42/454407942.db2.gz SLMDCXCYVCRCMX-UHFFFAOYSA-N -1 0 337.335 3.000 20 30 EGEDRM COCc1nc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)cs1 ZINC000121752622 454472732 /nfs/dbraw/zinc/47/27/32/454472732.db2.gz NUPYMTNTHVDYOS-SECBINFHSA-N -1 0 341.314 3.193 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)cc1 ZINC000048420984 454487989 /nfs/dbraw/zinc/48/79/89/454487989.db2.gz HQTSWZUZLXJJCE-PBWFPOADSA-N -1 0 335.425 3.036 20 30 EGEDRM CS(=O)(=O)[N-]C(=O)C1(c2ccc(Br)cc2)CCCC1 ZINC000048480712 454493150 /nfs/dbraw/zinc/49/31/50/454493150.db2.gz VKYDJHNRGLWBEM-UHFFFAOYSA-N -1 0 346.246 3.177 20 30 EGEDRM O=C(C=Cc1ccccc1[N+](=O)[O-])[N-]S(=O)(=O)Cc1ccccc1 ZINC000048594941 454502117 /nfs/dbraw/zinc/50/21/17/454502117.db2.gz WNCRVYALWJBFBQ-ZHACJKMWSA-N -1 0 346.364 3.095 20 30 EGEDRM O=C(CCC1CCCC1)[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000048637361 454504096 /nfs/dbraw/zinc/50/40/96/454504096.db2.gz YMRXGYPYORRLOF-UHFFFAOYSA-N -1 0 339.442 3.307 20 30 EGEDRM CCOc1ccc(NC(=O)c2cc(C#N)c(SC)[n-]c2=O)c(C)c1 ZINC000080420770 454578193 /nfs/dbraw/zinc/57/81/93/454578193.db2.gz AIAFKSBKZZPPNF-UHFFFAOYSA-N -1 0 343.408 3.340 20 30 EGEDRM CCC(=O)Nc1cccc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C)c1 ZINC000123001029 454590724 /nfs/dbraw/zinc/59/07/24/454590724.db2.gz NXZCYULRABJLNY-OAHLLOKOSA-N -1 0 346.390 3.412 20 30 EGEDRM O=C(C=Cc1ccnc(Cl)c1)[N-]S(=O)(=O)C1CCCCC1 ZINC000092698352 454612477 /nfs/dbraw/zinc/61/24/77/454612477.db2.gz GLFFOBYLYPFNAD-VOTSOKGWSA-N -1 0 328.821 3.367 20 30 EGEDRM CCC(=O)c1cccc([N-]S(=O)(=O)c2cccc(C)c2C#N)c1 ZINC000137692340 454784079 /nfs/dbraw/zinc/78/40/79/454784079.db2.gz IWXKHRWLWSNYFV-UHFFFAOYSA-N -1 0 328.393 3.260 20 30 EGEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)c1 ZINC000177991123 454924717 /nfs/dbraw/zinc/92/47/17/454924717.db2.gz RIJHWHJNVKFBIU-UHFFFAOYSA-N -1 0 335.747 3.023 20 30 EGEDRM Cc1[n-]n(-c2cc(C)ccc2C)c(=O)c1C(=O)Nc1ccc(C#N)cc1 ZINC000155578273 455018601 /nfs/dbraw/zinc/01/86/01/455018601.db2.gz RLNIWCCNGLYQJZ-GOSISDBHSA-N -1 0 346.390 3.153 20 30 EGEDRM CCN(C[C@@H](C)C#N)C(=O)c1nn(-c2cccc(C(C)C)c2)cc1[O-] ZINC000155807214 455047801 /nfs/dbraw/zinc/04/78/01/455047801.db2.gz ULUSHKOPCOFGJD-AWEZNQCLSA-N -1 0 340.427 3.323 20 30 EGEDRM COCCOc1cc(C([O-])=C(C#N)c2nc(C(C)C)cs2)ccn1 ZINC000180068318 455127229 /nfs/dbraw/zinc/12/72/29/455127229.db2.gz VHWJNBVBZCVQMZ-CYBMUJFWSA-N -1 0 345.424 3.177 20 30 EGEDRM C=CCn1c(=O)c2ccc(C(=O)N[C@@H]3CC=CCC3)cc2[n-]c1=S ZINC000172392387 455150845 /nfs/dbraw/zinc/15/08/45/455150845.db2.gz RNCHPUTZEBCHJH-CYBMUJFWSA-N -1 0 341.436 3.084 20 30 EGEDRM COc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C#N)c(C)c1F ZINC000181353179 455321233 /nfs/dbraw/zinc/32/12/33/455321233.db2.gz OLQAWNPYJQHSFK-UHFFFAOYSA-N -1 0 334.372 3.124 20 30 EGEDRM CCCCn1cc(C([O-])=C(C#N)c2cnc3ccccc3n2)c(C)n1 ZINC000190987167 455420149 /nfs/dbraw/zinc/42/01/49/455420149.db2.gz WXYDGPRSJYPNJW-CQSZACIVSA-N -1 0 333.395 3.425 20 30 EGEDRM CC(C)(C)c1coc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)n1 ZINC000283964920 455617088 /nfs/dbraw/zinc/61/70/88/455617088.db2.gz GTEUMIPTHGRVPG-UHFFFAOYSA-N -1 0 339.804 3.298 20 30 EGEDRM N#CC1(NC(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])CCCCC1 ZINC000193966933 455787893 /nfs/dbraw/zinc/78/78/93/455787893.db2.gz YNDHHSHLLGUFFV-UHFFFAOYSA-N -1 0 344.802 3.188 20 30 EGEDRM COCCSCCCn1[n-]c(C(C)(C)C)c(CCC#N)c1=O ZINC000278232004 455792471 /nfs/dbraw/zinc/79/24/71/455792471.db2.gz JSWXUROEDJZHIM-UHFFFAOYSA-N -1 0 325.478 3.112 20 30 EGEDRM Cc1c([N-]S(=O)(=O)c2cc(C#N)ccc2C)cnn1C1CCCC1 ZINC000194229747 455818582 /nfs/dbraw/zinc/81/85/82/455818582.db2.gz RXIWJWROGUXEJS-UHFFFAOYSA-N -1 0 344.440 3.288 20 30 EGEDRM Cc1ncc(CO)c(/C=N/[C@H]2CCCOc3c(F)cccc32)c1O ZINC000272085120 455842697 /nfs/dbraw/zinc/84/26/97/455842697.db2.gz CHQSAGGVXWNOBO-BCUFPXHISA-N -1 0 330.359 3.060 20 30 EGEDRM N#CCCCOc1cccc(CN=c2[n-]nc([C@@H]3CCCO3)s2)c1 ZINC000601068606 460697814 /nfs/dbraw/zinc/69/78/14/460697814.db2.gz NPCBCEAOIFMUEF-HNNXBMFYSA-N -1 0 344.440 3.106 20 30 EGEDRM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cc(C)n(CCC#N)n2)cc1 ZINC000270991420 456089097 /nfs/dbraw/zinc/08/90/97/456089097.db2.gz AGKGIYDNZLKDBZ-ZDUSSCGKSA-N -1 0 346.456 3.420 20 30 EGEDRM C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000263458717 456151069 /nfs/dbraw/zinc/15/10/69/456151069.db2.gz CWSHEBIOHCPLLU-SJKOYZFVSA-N -1 0 347.440 3.267 20 30 EGEDRM C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000263485248 456156928 /nfs/dbraw/zinc/15/69/28/456156928.db2.gz MJWBHAVPBXZZNN-YVEFUNNKSA-N -1 0 347.440 3.409 20 30 EGEDRM Cc1cc(C/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc(N2CCCC2)n1 ZINC000290629630 456388747 /nfs/dbraw/zinc/38/87/47/456388747.db2.gz UYINBXSJFAMFCA-XDHOZWIPSA-N -1 0 340.383 3.223 20 30 EGEDRM Cc1c(F)cccc1S(=O)(=O)[N-]c1c(C#N)cnn1C1CCCC1 ZINC000337783665 456543307 /nfs/dbraw/zinc/54/33/07/456543307.db2.gz VQRKCVABGMMERI-UHFFFAOYSA-N -1 0 348.403 3.118 20 30 EGEDRM C=C[C@](C)(O)CC(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC000291392083 456629775 /nfs/dbraw/zinc/62/97/75/456629775.db2.gz HWLCVGGNUPRTPY-LBPRGKRZSA-N -1 0 334.597 3.074 20 30 EGEDRM C=CCCCS(=O)(=O)[N-]c1nnc(-c2cc(F)ccc2C)s1 ZINC000291889640 456789323 /nfs/dbraw/zinc/78/93/23/456789323.db2.gz OIWJZIDPQAKFDI-UHFFFAOYSA-N -1 0 341.433 3.361 20 30 EGEDRM CC(C)n1cc(C#N)c(=NC(=O)[C@@H](C)CSc2ccc(F)cc2)[n-]1 ZINC000345196160 456963780 /nfs/dbraw/zinc/96/37/80/456963780.db2.gz YDRRWIKXGJSBSR-LBPRGKRZSA-N -1 0 346.431 3.264 20 30 EGEDRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)[C@H](C)Oc1ccccc1C#N ZINC000349493512 456977742 /nfs/dbraw/zinc/97/77/42/456977742.db2.gz PIVXNHBWNGAMIL-ZDUSSCGKSA-N -1 0 338.363 3.279 20 30 EGEDRM N#CCCN(Cc1cccnc1)C(=O)CCCc1ccc(O)c(F)c1 ZINC000345712933 456988964 /nfs/dbraw/zinc/98/89/64/456988964.db2.gz HOKSDKXGPCXSNY-UHFFFAOYSA-N -1 0 341.386 3.191 20 30 EGEDRM CC(C)[C@@H]1OCCC[C@H]1CNC(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000330226507 457007465 /nfs/dbraw/zinc/00/74/65/457007465.db2.gz BOYTURPSSJULNW-RYUDHWBXSA-N -1 0 340.493 3.035 20 30 EGEDRM CCn1nc(C)c(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)c1C ZINC000339355777 457065723 /nfs/dbraw/zinc/06/57/23/457065723.db2.gz NFCURKGFPWRPEA-GFCCVEGCSA-N -1 0 336.317 3.424 20 30 EGEDRM Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1ccc(F)c(C#N)c1 ZINC000349960784 457122702 /nfs/dbraw/zinc/12/27/02/457122702.db2.gz LEEUAXZAGWSQNA-UHFFFAOYSA-N -1 0 341.367 3.355 20 30 EGEDRM Cc1ccc(-c2nc(NC(=O)C[C@H](CC#N)c3ccccc3)n[nH]2)o1 ZINC000359840809 457134690 /nfs/dbraw/zinc/13/46/90/457134690.db2.gz JIIKTOYTSHODKT-AWEZNQCLSA-N -1 0 335.367 3.399 20 30 EGEDRM C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC000354939616 457330737 /nfs/dbraw/zinc/33/07/37/457330737.db2.gz AOGKMSGIZMNETP-UHFFFAOYSA-N -1 0 345.380 3.006 20 30 EGEDRM CSCc1cccnc1C([O-])=C(C#N)c1cnc2ccccc2n1 ZINC000355404868 457369876 /nfs/dbraw/zinc/36/98/76/457369876.db2.gz SUNMURVACSCKEQ-ZDUSSCGKSA-N -1 0 334.404 3.378 20 30 EGEDRM N#CC[C@@H](CC(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1)c1ccccc1 ZINC000355549911 457386438 /nfs/dbraw/zinc/38/64/38/457386438.db2.gz WIZDFFIEPWXMOC-HNNXBMFYSA-N -1 0 348.362 3.056 20 30 EGEDRM C=CCc1cc(C(=O)Nc2cccc(C(=O)[O-])c2)cc(OC)c1OC ZINC000347407550 457408022 /nfs/dbraw/zinc/40/80/22/457408022.db2.gz CVEJOPUIMMJIPR-UHFFFAOYSA-N -1 0 341.363 3.383 20 30 EGEDRM Cc1c([N-]S(=O)(=O)c2ccccc2CC#N)cnn1CCC(C)C ZINC000355838420 457421761 /nfs/dbraw/zinc/42/17/61/457421761.db2.gz GXAVLYCEAVWIHH-UHFFFAOYSA-N -1 0 346.456 3.105 20 30 EGEDRM Cc1ccc(-c2csc(C(C#N)=C([O-])c3ccc(=O)n(C)c3)n2)cc1 ZINC000352698338 457539852 /nfs/dbraw/zinc/53/98/52/457539852.db2.gz RCAJFVCFYDXBRW-HNNXBMFYSA-N -1 0 349.415 3.307 20 30 EGEDRM C[C@H]1Oc2c(cccc2C([O-])=C(C#N)c2nc3ccccc3o2)NC1=O ZINC000352698056 457540012 /nfs/dbraw/zinc/54/00/12/457540012.db2.gz NWAUMQYVUZHEAQ-PWSUYJOCSA-N -1 0 347.330 3.037 20 30 EGEDRM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2)cc1 ZINC000357479223 457554282 /nfs/dbraw/zinc/55/42/82/457554282.db2.gz XHBFDBJVOFSQIP-UHFFFAOYSA-N -1 0 346.383 3.337 20 30 EGEDRM Cc1nc2ccccc2cc1C(=O)N=c1[n-]n(C(C)(C)C)cc1C#N ZINC000410543384 457647154 /nfs/dbraw/zinc/64/71/54/457647154.db2.gz XKOCRTUSCYLOOP-UHFFFAOYSA-N -1 0 333.395 3.041 20 30 EGEDRM Cn1ncc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)c1C#N ZINC000361677779 457818975 /nfs/dbraw/zinc/81/89/75/457818975.db2.gz JKWHUGFICIHHJI-SECBINFHSA-N -1 0 341.783 3.045 20 30 EGEDRM CN(C)c1ccc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)nc1 ZINC000362187109 458040400 /nfs/dbraw/zinc/04/04/00/458040400.db2.gz LDFSCJSBYPXUDM-LBPRGKRZSA-N -1 0 334.301 3.051 20 30 EGEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1cc(F)c(OC(C)(C)C)c(F)c1 ZINC000416956068 458358147 /nfs/dbraw/zinc/35/81/47/458358147.db2.gz NARJUGXRGSPSLD-SNVBAGLBSA-N -1 0 332.372 3.186 20 30 EGEDRM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000509202767 458769856 /nfs/dbraw/zinc/76/98/56/458769856.db2.gz LXSOVQSTGOOQRQ-MRVPVSSYSA-N -1 0 325.327 3.266 20 30 EGEDRM C[C@@H]1CCc2onc(C([O-])=C(C#N)c3nc4ccccc4n3C)c2C1 ZINC000515034817 458804604 /nfs/dbraw/zinc/80/46/04/458804604.db2.gz URHNBOLJJLOLMF-DGCLKSJQSA-N -1 0 334.379 3.176 20 30 EGEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000531247835 458894401 /nfs/dbraw/zinc/89/44/01/458894401.db2.gz VLCFINNUTJSAKJ-UHFFFAOYSA-N -1 0 328.349 3.114 20 30 EGEDRM C=CC[C@@H](CC)NC(=O)N=c1[n-]nc(Cc2cccc(OC)c2)s1 ZINC000466403109 458898423 /nfs/dbraw/zinc/89/84/23/458898423.db2.gz CDXAPGZNFIGOAI-CYBMUJFWSA-N -1 0 346.456 3.036 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)Nc2ccc3ccoc3c2)cc1C#N ZINC000442807846 459041465 /nfs/dbraw/zinc/04/14/65/459041465.db2.gz FXGVBINEIFSTIZ-UHFFFAOYSA-N -1 0 325.349 3.379 20 30 EGEDRM C[C@@H](NC(=O)N[C@@H](C)c1cccc(C#N)c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000594529925 459081051 /nfs/dbraw/zinc/08/10/51/459081051.db2.gz VCKVJKIVKRBZKX-SHUKQUCYSA-N -1 0 343.427 3.054 20 30 EGEDRM C[C@@H](NC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1cccc(C#N)c1 ZINC000594529923 459081244 /nfs/dbraw/zinc/08/12/44/459081244.db2.gz VCKVJKIVKRBZKX-GUYJKWIASA-N -1 0 343.427 3.054 20 30 EGEDRM CC(C)(C)C[C@@H]([N-]S(=O)(=O)CCC(C)(C)C#N)C(F)(F)F ZINC000567313341 459084358 /nfs/dbraw/zinc/08/43/58/459084358.db2.gz YKRLMHMJJMXSJN-SNVBAGLBSA-N -1 0 328.400 3.213 20 30 EGEDRM C[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)NCC1(C#N)CCCCC1 ZINC000594691550 459131889 /nfs/dbraw/zinc/13/18/89/459131889.db2.gz VVNMCECAUWDYNC-HNNXBMFYSA-N -1 0 343.427 3.318 20 30 EGEDRM C=C(C)CN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000479905046 459173054 /nfs/dbraw/zinc/17/30/54/459173054.db2.gz VMKLGPJWAWSDSN-UHFFFAOYSA-N -1 0 345.420 3.152 20 30 EGEDRM C=CCC[C@H](NC(=O)Nc1ccc(C)c(OCC(F)F)c1)C(=O)[O-] ZINC000578298525 459176575 /nfs/dbraw/zinc/17/65/75/459176575.db2.gz WZZDZHPVIXLKQR-LBPRGKRZSA-N -1 0 342.342 3.180 20 30 EGEDRM Cn1cc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)c(C(F)F)n1 ZINC000533176958 459197551 /nfs/dbraw/zinc/19/75/51/459197551.db2.gz JVKYIVZCAAHHED-MRVPVSSYSA-N -1 0 344.243 3.262 20 30 EGEDRM C=CCSCCNC(=O)N=c1[n-]nc(-c2cc(C)cc(C)c2)s1 ZINC000481947963 459283056 /nfs/dbraw/zinc/28/30/56/459283056.db2.gz QMPXWNBPUXLNGZ-UHFFFAOYSA-N -1 0 348.497 3.285 20 30 EGEDRM C[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)C1 ZINC000539604093 459377427 /nfs/dbraw/zinc/37/74/27/459377427.db2.gz TUVRPKWMBNGUHW-OAQYLSRUSA-N -1 0 333.387 3.023 20 30 EGEDRM CC(C)(CNS(=O)(=O)c1ccc(C#N)o1)c1ccccc1Cl ZINC000561506245 459459265 /nfs/dbraw/zinc/45/92/65/459459265.db2.gz NMJVOBQAPCBDEA-UHFFFAOYSA-N -1 0 338.816 3.061 20 30 EGEDRM N#Cc1ccc(C(=O)N=c2nc(Sc3ccccc3)[n-]s2)s1 ZINC000487278402 459528219 /nfs/dbraw/zinc/52/82/19/459528219.db2.gz UCNSWPLPZUNNJK-UHFFFAOYSA-N -1 0 344.446 3.297 20 30 EGEDRM C=C[C@@H]1CCCCN1C(=O)N=c1[n-]nc(/C=C/c2ccco2)s1 ZINC000488941051 459556100 /nfs/dbraw/zinc/55/61/00/459556100.db2.gz LDKDDCIFFYETOZ-IDVQTMNDSA-N -1 0 330.413 3.296 20 30 EGEDRM C=CCN(C(=O)Nc1cccc(C#N)c1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000572458230 459580222 /nfs/dbraw/zinc/58/02/22/459580222.db2.gz MAUYIUSABRRDJW-SFHVURJKSA-N -1 0 349.390 3.274 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2ccc(C(=O)OC(C)(C)C)cn2)n1 ZINC000592363163 459580486 /nfs/dbraw/zinc/58/04/86/459580486.db2.gz HXUUMTQCQYPDJZ-GFCCVEGCSA-N -1 0 343.408 3.292 20 30 EGEDRM C=CCC[C@H](NC(=O)N[C@@H](CC)c1ccc(F)cc1F)C(=O)[O-] ZINC000562974506 459685327 /nfs/dbraw/zinc/68/53/27/459685327.db2.gz LQAZWCHDDFYHGP-KBPBESRZSA-N -1 0 326.343 3.135 20 30 EGEDRM CC(C)(C)OC(=O)N1CCC(CN=Nc2ccc(C(=O)[O-])cc2)CC1 ZINC000492990861 459729136 /nfs/dbraw/zinc/72/91/36/459729136.db2.gz KBNCLJDVHYCGFA-UHFFFAOYSA-N -1 0 347.415 3.430 20 30 EGEDRM CC(C)Oc1ccc(NS(=O)(=O)CCC(C)(C)C#N)c(F)c1 ZINC000563223898 459742860 /nfs/dbraw/zinc/74/28/60/459742860.db2.gz FBNNQDVSOJPVFN-UHFFFAOYSA-N -1 0 328.409 3.294 20 30 EGEDRM CCc1cc(C#N)c([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)s1 ZINC000584503372 459754893 /nfs/dbraw/zinc/75/48/93/459754893.db2.gz XEOJLKKBNAJQDW-UHFFFAOYSA-N -1 0 334.422 3.186 20 30 EGEDRM C=CCN(C(=O)Nc1nc(C)cs1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000563669351 459767532 /nfs/dbraw/zinc/76/75/32/459767532.db2.gz MCCLVFFUCLAGKN-CQSZACIVSA-N -1 0 345.424 3.167 20 30 EGEDRM N#CC(=C([O-])c1cn2c(n1)CCCC2)c1cc(C(F)(F)F)ccn1 ZINC000574250059 459795909 /nfs/dbraw/zinc/79/59/09/459795909.db2.gz JRWNUNFVGNFKIE-NSHDSACASA-N -1 0 334.301 3.123 20 30 EGEDRM C[C@H](c1ccccc1)n1ccc([N-]S(=O)(=O)CCC(C)(C)C#N)n1 ZINC000593205465 459807585 /nfs/dbraw/zinc/80/75/85/459807585.db2.gz WLHZSHKWHAXLDT-CQSZACIVSA-N -1 0 346.456 3.174 20 30 EGEDRM CCc1cc(C#N)c([N-]S(=O)(=O)c2ccc(COC)cc2)s1 ZINC000593279422 459827566 /nfs/dbraw/zinc/82/75/66/459827566.db2.gz OFDAGBGTKUIQAE-UHFFFAOYSA-N -1 0 336.438 3.129 20 30 EGEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1ccc(Cl)c2cccnc12 ZINC000588769041 459980445 /nfs/dbraw/zinc/98/04/45/459980445.db2.gz PRKCYHPMSCNAAO-UHFFFAOYSA-N -1 0 337.770 3.035 20 30 EGEDRM Cc1ccc(C#N)cc1NC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000593950596 460023365 /nfs/dbraw/zinc/02/33/65/460023365.db2.gz DQIKZQSVQVMHNY-FPMFFAJLSA-N -1 0 329.400 3.124 20 30 EGEDRM CC(C)[C@@H](CNC(=O)Nc1ccccc1SC[C@@H](C)C#N)C(=O)[O-] ZINC000593956680 460026872 /nfs/dbraw/zinc/02/68/72/460026872.db2.gz PTUPNEMIHINKJC-QWHCGFSZSA-N -1 0 349.456 3.417 20 30 EGEDRM C[C@H](NC(=O)N=c1nc(C(C)(C)C)[n-]s1)c1cccc(C#N)c1 ZINC000610323750 460121486 /nfs/dbraw/zinc/12/14/86/460121486.db2.gz SENTXHJLQDBTBH-JTQLQIEISA-N -1 0 329.429 3.012 20 30 EGEDRM CC(C)c1nc(S(=O)(=O)[N-]c2cccc(OCCCC#N)c2)c[nH]1 ZINC000610479019 460161125 /nfs/dbraw/zinc/16/11/25/460161125.db2.gz ZRXDPTPGOBIKEJ-UHFFFAOYSA-N -1 0 348.428 3.016 20 30 EGEDRM Cc1ccc(-c2[n-][nH]c(=NC(=O)[C@H](C)Cc3ccc(C#N)cc3)c2C)o1 ZINC000594368767 460197408 /nfs/dbraw/zinc/19/74/08/460197408.db2.gz OVWJOXCBEMSVLB-GFCCVEGCSA-N -1 0 348.406 3.397 20 30 EGEDRM C[C@@H]1CN(C(=O)N[C@@H](CCCC#N)c2ccccc2)CC[C@H]1C(=O)[O-] ZINC000599863981 460351985 /nfs/dbraw/zinc/35/19/85/460351985.db2.gz KFVJWPGWELQIMF-OIISXLGYSA-N -1 0 343.427 3.174 20 30 EGEDRM N#Cc1c[n-][nH]c1=NC(=O)C1(c2cccc(Cl)c2)CCCCC1 ZINC000601638578 460853519 /nfs/dbraw/zinc/85/35/19/460853519.db2.gz FJGRRDPRHFQHSG-UHFFFAOYSA-N -1 0 328.803 3.197 20 30 EGEDRM CC(C)c1ccc([C@](C)(CC(=O)[O-])C(=O)NCC2(CC#N)CC2)cc1 ZINC000601982005 460969571 /nfs/dbraw/zinc/96/95/71/460969571.db2.gz IOIIADIZEHRNFF-IBGZPJMESA-N -1 0 342.439 3.352 20 30 EGEDRM C=C[C@@H]1CCCCN1C(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC000630301789 461090945 /nfs/dbraw/zinc/09/09/45/461090945.db2.gz PAYANAIIEVSTIO-CYBMUJFWSA-N -1 0 338.201 3.328 20 30 EGEDRM C=CCOc1c(Cl)cc(CN=c2[n-]nc(C3CC3)o2)cc1OC ZINC000630951437 461432074 /nfs/dbraw/zinc/43/20/74/461432074.db2.gz LRGRVVRYJPVTTJ-UHFFFAOYSA-N -1 0 335.791 3.208 20 30 EGEDRM Cc1ccccc1-n1cc(C([O-])=C(C#N)c2nc(C3CC3)cs2)nn1 ZINC000647380204 461669700 /nfs/dbraw/zinc/66/97/00/461669700.db2.gz UMBWNBZKLZIEQY-CYBMUJFWSA-N -1 0 349.419 3.400 20 30 EGEDRM C=CCCCS(=O)(=O)[N-]c1nnc(/C=C/c2ccco2)s1 ZINC000644635679 462018220 /nfs/dbraw/zinc/01/82/20/462018220.db2.gz PRGVYKWBYPPEKP-BQYQJAHWSA-N -1 0 325.415 3.009 20 30 EGEDRM CCCCS[C@H](C)C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000058246469 520967260 /nfs/dbraw/zinc/96/72/60/520967260.db2.gz DPNAQEZUXHZBNO-LLVKDONJSA-N -1 0 326.443 3.125 20 30 EGEDRM C=C(C)COc1cccc([N-]S(=O)(=O)c2c[nH]c(C(C)C)n2)c1 ZINC000673884915 548647763 /nfs/dbraw/zinc/64/77/63/548647763.db2.gz LLDIGRQPRHYRIC-UHFFFAOYSA-N -1 0 335.429 3.289 20 30 EGEDRM COc1ccc([C@@H](CC(=O)[O-])/N=C/c2cccc(OC)c2O)cc1 ZINC000737951654 574521040 /nfs/dbraw/zinc/52/10/40/574521040.db2.gz WXUGRJQUWVDMDU-SKCQWOFPSA-N -1 0 329.352 3.044 20 30 EGEDRM C[C@@H]1C[C@H](CC(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)CC(C)(C)C1 ZINC000727629933 574678669 /nfs/dbraw/zinc/67/86/69/574678669.db2.gz ZTYRVHQMMLJTOR-UKRRQHHQSA-N -1 0 348.468 3.216 20 30 EGEDRM C[C@H]1C[C@@H](CC(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)CC(C)(C)C1 ZINC000727629934 574678737 /nfs/dbraw/zinc/67/87/37/574678737.db2.gz ZTYRVHQMMLJTOR-ZFWWWQNUSA-N -1 0 348.468 3.216 20 30 EGEDRM CCCCCC[C@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000727951700 574705899 /nfs/dbraw/zinc/70/58/99/574705899.db2.gz YSDYGAHBILHWAI-AWEZNQCLSA-N -1 0 336.457 3.360 20 30 EGEDRM O=C(/C=C\c1ccc(N2CCOCC2)c(F)c1)c1ccc([O-])c(F)c1 ZINC000728439037 574749363 /nfs/dbraw/zinc/74/93/63/574749363.db2.gz VBWDQGGMOOPQEZ-DJWKRKHSSA-N -1 0 345.345 3.403 20 30 EGEDRM COC(=O)C1CCC(/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000730147035 574925249 /nfs/dbraw/zinc/92/52/49/574925249.db2.gz JXAKYVYPZCFANH-IUXPMGMMSA-N -1 0 340.763 3.105 20 30 EGEDRM O=C([O-])c1cc(C(=O)/C=C/c2ccc(-n3cncn3)c(F)c2)cs1 ZINC000730150360 574925848 /nfs/dbraw/zinc/92/58/48/574925848.db2.gz SIAWIRHATBOYEX-DUXPYHPUSA-N -1 0 343.339 3.062 20 30 EGEDRM CON=Cc1ccc(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000737839211 574965270 /nfs/dbraw/zinc/96/52/70/574965270.db2.gz FVQYILSEQDXWLY-UHFFFAOYSA-N -1 0 332.743 3.271 20 30 EGEDRM C[C@@H](/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-])C(=O)Nc1ccccc1 ZINC000732529085 575274292 /nfs/dbraw/zinc/27/42/92/575274292.db2.gz OFXODCKWLWQPDA-PQQLAPNWSA-N -1 0 347.758 3.400 20 30 EGEDRM COc1ccc(C(=O)/C=C/c2cccc(OCC(=O)[O-])c2)c(OC)c1 ZINC000733204914 575319726 /nfs/dbraw/zinc/31/97/26/575319726.db2.gz DNKQITZGVYHLPX-RMKNXTFCSA-N -1 0 342.347 3.063 20 30 EGEDRM COc1ccc(C)cc1C(=O)/C=C/c1cccc(OCC(=O)[O-])c1 ZINC000733206944 575320547 /nfs/dbraw/zinc/32/05/47/575320547.db2.gz TVADAKLFQZQDLR-BQYQJAHWSA-N -1 0 326.348 3.363 20 30 EGEDRM COc1ccc(C=NNc2ccccc2Cl)c(OCC(=O)[O-])c1 ZINC000734362196 575474017 /nfs/dbraw/zinc/47/40/17/575474017.db2.gz MKDIZAVIUDZTBR-UHFFFAOYSA-N -1 0 334.759 3.258 20 30 EGEDRM C#CC[C@H](OC(=O)Cn1cc(C(=O)[O-])c2ccccc21)c1ccccn1 ZINC000736076563 575896161 /nfs/dbraw/zinc/89/61/61/575896161.db2.gz IYWCSTZPSFBVOX-SFHVURJKSA-N -1 0 348.358 3.042 20 30 EGEDRM C#CCOc1ccc(NC(=O)N[C@@H](CC(=O)[O-])c2cccs2)cc1 ZINC000736089487 575898069 /nfs/dbraw/zinc/89/80/69/575898069.db2.gz LKJWKOOOURXQHN-AWEZNQCLSA-N -1 0 344.392 3.098 20 30 EGEDRM C#CCOc1ccc(NC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000736089308 575898094 /nfs/dbraw/zinc/89/80/94/575898094.db2.gz JJEALWQTAOYRTH-UHFFFAOYSA-N -1 0 338.363 3.061 20 30 EGEDRM C=CCOCC(=O)Nc1ccc(Oc2ccccc2)cc1C(=O)[O-] ZINC000736109576 575898361 /nfs/dbraw/zinc/89/83/61/575898361.db2.gz QFWFQIKUTWUVDH-UHFFFAOYSA-N -1 0 327.336 3.318 20 30 EGEDRM C=C1CCN(CC(=O)Nc2c(Cl)cc(Cl)cc2C(=O)[O-])CC1 ZINC000736097135 575899159 /nfs/dbraw/zinc/89/91/59/575899159.db2.gz MICHMKGAZQXIQG-UHFFFAOYSA-N -1 0 343.210 3.282 20 30 EGEDRM CC(C)[C@H](NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1)C(=O)[O-] ZINC000736390056 575948752 /nfs/dbraw/zinc/94/87/52/575948752.db2.gz OCZHPRKMMILYRU-KRWDZBQOSA-N -1 0 337.379 3.141 20 30 EGEDRM CC[C@@H](Nc1ccccc1)C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736924691 576061609 /nfs/dbraw/zinc/06/16/09/576061609.db2.gz NZLLRPOHMIJBBB-SJORKVTESA-N -1 0 338.363 3.118 20 30 EGEDRM CCCc1ccc(N)c(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000737045158 576089077 /nfs/dbraw/zinc/08/90/77/576089077.db2.gz OOZBSQFDOCWLMI-QGZVFWFLSA-N -1 0 338.363 3.076 20 30 EGEDRM CCOc1ccc(O)c(/C=N/[C@H](CC(=O)[O-])c2ccc(OC)cc2)c1 ZINC000737203173 576135596 /nfs/dbraw/zinc/13/55/96/576135596.db2.gz JXGDBISSKCUBKO-XNHPLOEXSA-N -1 0 343.379 3.434 20 30 EGEDRM COc1cccc(C=Nc2ccc(OCCCC(=O)[O-])cc2)c1O ZINC000738096450 576288264 /nfs/dbraw/zinc/28/82/64/576288264.db2.gz OLYXPXXOUHKFIQ-UHFFFAOYSA-N -1 0 329.352 3.395 20 30 EGEDRM Cc1ccc2[nH]c(C(=O)O[C@H](C(=O)[O-])c3ccc(C#N)cc3)cc2c1 ZINC000738667461 576348550 /nfs/dbraw/zinc/34/85/50/576348550.db2.gz KZSDTGGKNIQVLP-KRWDZBQOSA-N -1 0 334.331 3.331 20 30 EGEDRM Cc1ccc2[nH]c(C(=O)O[C@@H](C(=O)[O-])c3ccc(C#N)cc3)cc2c1 ZINC000738667462 576348672 /nfs/dbraw/zinc/34/86/72/576348672.db2.gz KZSDTGGKNIQVLP-QGZVFWFLSA-N -1 0 334.331 3.331 20 30 EGEDRM N#CC1(C(=O)Nc2cccc(CSCC(=O)[O-])c2)CCCCC1 ZINC000739066469 576376611 /nfs/dbraw/zinc/37/66/11/576376611.db2.gz MTQSTVFEEQRTFR-UHFFFAOYSA-N -1 0 332.425 3.417 20 30 EGEDRM N#CCn1c(C(=O)Oc2ccc(CC(=O)[O-])cc2)cc2ccccc21 ZINC000739092719 576377567 /nfs/dbraw/zinc/37/75/67/576377567.db2.gz IIWJXVLUOMUQKF-UHFFFAOYSA-N -1 0 334.331 3.011 20 30 EGEDRM N#Cc1ccc([C@H](C(=O)[O-])N2CCc3[nH]c4ccc(F)cc4c3C2)cc1 ZINC000739103859 576377923 /nfs/dbraw/zinc/37/79/23/576377923.db2.gz CSRPBYMHQFVBRR-LJQANCHMSA-N -1 0 349.365 3.363 20 30 EGEDRM N#Cc1ccc([C@@H](OC(=O)c2cc3c(s2)CCCC3)C(=O)[O-])cc1 ZINC000739115152 576378713 /nfs/dbraw/zinc/37/87/13/576378713.db2.gz NYGNRRJJRSQBEF-MRXNPFEDSA-N -1 0 341.388 3.481 20 30 EGEDRM N#Cc1ccc([C@@H](OC(=O)c2ccnc3ccccc32)C(=O)[O-])cc1 ZINC000739116885 576378796 /nfs/dbraw/zinc/37/87/96/576378796.db2.gz FOBYQNWUYADMQX-QGZVFWFLSA-N -1 0 332.315 3.089 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)c2csc3c2CCCC3)C(=O)[O-])cc1 ZINC000739119297 576378911 /nfs/dbraw/zinc/37/89/11/576378911.db2.gz YLWCUYFBSJNPPA-INIZCTEOSA-N -1 0 341.388 3.481 20 30 EGEDRM N#Cc1ccccc1/C=C\C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000739140668 576379513 /nfs/dbraw/zinc/37/95/13/576379513.db2.gz XEFUJKAPYHPXIH-YDZSZYSISA-N -1 0 332.359 3.177 20 30 EGEDRM N#Cc1ccccc1/C=C/C(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000739140235 576379528 /nfs/dbraw/zinc/37/95/28/576379528.db2.gz QIWHAQUYZYAMDC-PYUISTEWSA-N -1 0 325.295 3.080 20 30 EGEDRM COc1ccccc1-c1ccc(C(C)=NNc2nnc(C)c(=O)[n-]2)cc1 ZINC000741458682 576687831 /nfs/dbraw/zinc/68/78/31/576687831.db2.gz WXEQUKXACYLTKO-UHFFFAOYSA-N -1 0 349.394 3.397 20 30 EGEDRM COc1ccc2c(c1)C(=O)/C(=C\c1cccc(OCC(=O)[O-])c1)CC2 ZINC000741848897 576727406 /nfs/dbraw/zinc/72/74/06/576727406.db2.gz QQTAWOJNGBJFII-DHDCSXOGSA-N -1 0 338.359 3.371 20 30 EGEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1ccc(OC2CCC2)cc1 ZINC000744026975 576819065 /nfs/dbraw/zinc/81/90/65/576819065.db2.gz CTXAVLJFSSJZIG-IBGZPJMESA-N -1 0 348.402 3.257 20 30 EGEDRM N#CCC[C@@H](NC(=O)NCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000821320709 597355241 /nfs/dbraw/zinc/35/52/41/597355241.db2.gz TYGQKIKPOJAQQY-QGZVFWFLSA-N -1 0 337.379 3.229 20 30 EGEDRM N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCC(=O)[O-])cc1Cl ZINC000819084366 597491081 /nfs/dbraw/zinc/49/10/81/597491081.db2.gz NLQNHKXZGUQLGG-CQSZACIVSA-N -1 0 343.770 3.202 20 30 EGEDRM COc1cc(C(=O)/C=C/c2cccc(C(=O)[O-])c2)cc(OC)c1OC ZINC000765825278 598201276 /nfs/dbraw/zinc/20/12/76/598201276.db2.gz OAPPEEZOIHOAOB-BQYQJAHWSA-N -1 0 342.347 3.307 20 30 EGEDRM C[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])c1cccc(Cl)c1Cl ZINC000820114800 598228167 /nfs/dbraw/zinc/22/81/67/598228167.db2.gz PYTKFMDJBAJEQN-RTHLEPHNSA-N -1 0 329.183 3.175 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NC1CCC(C)(c2ccccc2)CC1 ZINC000819820966 598230614 /nfs/dbraw/zinc/23/06/14/598230614.db2.gz BSAFEUDUEJCBMR-PPSBMQLTSA-N -1 0 328.412 3.008 20 30 EGEDRM N#Cc1ccccc1/C=C\C(=O)OCc1ccc(F)cc1C(=O)[O-] ZINC000739139329 600113973 /nfs/dbraw/zinc/11/39/73/600113973.db2.gz FVNXHKMHUOXDSJ-VURMDHGXSA-N -1 0 325.295 3.152 20 30 EGEDRM C=CCN(CC1CCCCC1)C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000262124978 600449860 /nfs/dbraw/zinc/44/98/60/600449860.db2.gz LQUDPUXLPBGQBL-UHFFFAOYSA-N -1 0 331.412 3.359 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)CC[C@@H]1CC[C@@H](C)O1 ZINC000825702509 600967053 /nfs/dbraw/zinc/96/70/53/600967053.db2.gz PIGMCQVEDQRTCT-DOMZBBRYSA-N -1 0 348.395 3.375 20 30 EGEDRM Cc1ccc(NC(=O)CSc2ccc(C#N)cc2)cc1C(=O)[O-] ZINC000832944026 601063908 /nfs/dbraw/zinc/06/39/08/601063908.db2.gz SGIOJGNAFCSZDN-UHFFFAOYSA-N -1 0 326.377 3.296 20 30 EGEDRM N#C[C@@H](COC(=O)CCc1ccc(C(=O)[O-])cc1)Cc1ccccc1 ZINC000833064419 601144697 /nfs/dbraw/zinc/14/46/97/601144697.db2.gz RTPLDGIFQYNTQP-KRWDZBQOSA-N -1 0 337.375 3.243 20 30 EGEDRM N#Cc1ccccc1Sc1ccc(C(=O)OCCNC(=O)[O-])cc1 ZINC000833076857 601207244 /nfs/dbraw/zinc/20/72/44/601207244.db2.gz QAUOIDAMCDIYKX-UHFFFAOYSA-N -1 0 342.376 3.134 20 30 EGEDRM CCCNc1ccc(C#N)cc1NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000829519556 601211376 /nfs/dbraw/zinc/21/13/76/601211376.db2.gz MUPCCUAZKPNTMY-ZIAGYGMSSA-N -1 0 329.400 3.210 20 30 EGEDRM C#CCOc1cccc([C@H](C)OC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000825631258 601238933 /nfs/dbraw/zinc/23/89/33/601238933.db2.gz AAHTWFQKJJFYKF-NUEKZKHPSA-N -1 0 330.380 3.194 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)s1 ZINC000833071354 601276797 /nfs/dbraw/zinc/27/67/97/601276797.db2.gz FXUGCKQMZIJRCY-UHFFFAOYSA-N -1 0 341.392 3.170 20 30 EGEDRM N#Cc1cccc([C@H](OC(=O)c2c(F)cccc2Cl)C(=O)[O-])c1 ZINC000833077202 601345345 /nfs/dbraw/zinc/34/53/45/601345345.db2.gz NEJSRZLGJOAJTH-AWEZNQCLSA-N -1 0 333.702 3.333 20 30 EGEDRM Cc1cc2ccccc2n1CC(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832906876 601346659 /nfs/dbraw/zinc/34/66/59/601346659.db2.gz ZDUJCTRJVHCYKT-IBGZPJMESA-N -1 0 348.358 3.191 20 30 EGEDRM C=CCOc1ccccc1C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000825702266 601348033 /nfs/dbraw/zinc/34/80/33/601348033.db2.gz GRPYHKLAOVVARA-QGZVFWFLSA-N -1 0 337.331 3.106 20 30 EGEDRM CC(C)c1cccc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c1N ZINC000827134046 601350066 /nfs/dbraw/zinc/35/00/66/601350066.db2.gz AFJDAJRSQIQXNH-KRWDZBQOSA-N -1 0 338.363 3.247 20 30 EGEDRM C/C(=C\c1ccc(F)cc1)C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000825798505 601355546 /nfs/dbraw/zinc/35/55/46/601355546.db2.gz NHHGNDDCCWZPQB-XLNAKTSKSA-N -1 0 339.322 3.470 20 30 EGEDRM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cccc(C(=O)[O-])c1 ZINC000821320125 601426335 /nfs/dbraw/zinc/42/63/35/601426335.db2.gz JQOJTUXASQUNJU-MSOLQXFVSA-N -1 0 334.375 3.297 20 30 EGEDRM C[C@@H](CNC(=O)c1ccc(Sc2ccccc2C#N)cc1)C(=O)[O-] ZINC000827496503 601449979 /nfs/dbraw/zinc/44/99/79/601449979.db2.gz DMNQJHHQBFXZSY-LBPRGKRZSA-N -1 0 340.404 3.160 20 30 EGEDRM CC(C)CCN(CCC#N)C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000826849055 601477751 /nfs/dbraw/zinc/47/77/51/601477751.db2.gz QKCWQUMTUUEOLV-UHFFFAOYSA-N -1 0 339.342 3.457 20 30 EGEDRM N#Cc1cccc([C@@H](OC(=O)C2(Cc3ccccc3)CC2)C(=O)[O-])c1 ZINC000833075984 601683857 /nfs/dbraw/zinc/68/38/57/601683857.db2.gz PMOSILMOQXMUIS-QGZVFWFLSA-N -1 0 335.359 3.250 20 30 EGEDRM N#Cc1cccc([C@H](OC(=O)c2cc(F)cc(Cl)c2)C(=O)[O-])c1 ZINC000833077618 601745531 /nfs/dbraw/zinc/74/55/31/601745531.db2.gz XQWJNECNLKHZPF-AWEZNQCLSA-N -1 0 333.702 3.333 20 30 EGEDRM C[C@@H]1CN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)C[C@@H]1C(=O)[O-] ZINC000828401670 601757221 /nfs/dbraw/zinc/75/72/21/601757221.db2.gz JFIRSZXIUZAFSE-ACJLOTCBSA-N -1 0 349.390 3.095 20 30 EGEDRM N#Cc1ccc(NC(=O)CSCc2ccc(C(=O)[O-])s2)cc1 ZINC000833073200 601847104 /nfs/dbraw/zinc/84/71/04/601847104.db2.gz IQKREUHLQUBEHQ-UHFFFAOYSA-N -1 0 332.406 3.190 20 30 EGEDRM CC(C)C[C@@H](C#N)NC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000826753765 601994034 /nfs/dbraw/zinc/99/40/34/601994034.db2.gz FQXVTMHFSCVTKC-LBPRGKRZSA-N -1 0 343.305 3.463 20 30 EGEDRM COc1ccc(C#N)cc1NC(=O)N[C@H]1CCCCCC[C@H]1C(=O)[O-] ZINC000832152899 602036237 /nfs/dbraw/zinc/03/62/37/602036237.db2.gz PUBWEFSDAZQCPL-KGLIPLIRSA-N -1 0 345.399 3.112 20 30 EGEDRM Cc1ccc(C#N)cc1NC(=O)N[C@H]1CCCCCC[C@@H]1C(=O)[O-] ZINC000832910600 602036283 /nfs/dbraw/zinc/03/62/83/602036283.db2.gz UVDIVQOQIDANDN-GJZGRUSLSA-N -1 0 329.400 3.412 20 30 EGEDRM CCc1nc2ccccc2n1N=Cc1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000794886184 602070733 /nfs/dbraw/zinc/07/07/33/602070733.db2.gz FHZVATTVRXRWPN-ZDUSSCGKSA-N -1 0 337.379 3.333 20 30 EGEDRM COc1ccc(-c2csc(C(C#N)C(=O)[C@@H](C)CC(=O)[O-])n2)cc1 ZINC000832124511 602186172 /nfs/dbraw/zinc/18/61/72/602186172.db2.gz PTBWWCHBUILLPF-GXFFZTMASA-N -1 0 344.392 3.106 20 30 EGEDRM CC(C)(C(=O)[O-])[C@H](NC(=O)Cc1cccc(C#N)c1)c1ccccc1 ZINC000826089185 604374606 /nfs/dbraw/zinc/37/46/06/604374606.db2.gz JTDRBCNOQOMJTP-GOSISDBHSA-N -1 0 336.391 3.069 20 30 EGEDRM C=C(C)[C@@H](CC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1)OCC ZINC000833366926 604541955 /nfs/dbraw/zinc/54/19/55/604541955.db2.gz FVKZRJWAEFRUFV-QGZVFWFLSA-N -1 0 346.427 3.295 20 30 EGEDRM CC(C)Oc1ccc(NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)cc1C#N ZINC000827054109 604554937 /nfs/dbraw/zinc/55/49/37/604554937.db2.gz AZQQPELJDCAUQI-CHWSQXEVSA-N -1 0 330.384 3.175 20 30 EGEDRM C=C(C)[C@H](CC(=O)N1C[C@H](C2CCCCC2)C[C@@H]1C(=O)[O-])OCC ZINC000833366865 604560798 /nfs/dbraw/zinc/56/07/98/604560798.db2.gz DRLCKEBOZKSYDC-ZACQAIPSSA-N -1 0 337.460 3.240 20 30 EGEDRM C=C(C)[C@H](CC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-])OCC ZINC000833367287 604570061 /nfs/dbraw/zinc/57/00/61/604570061.db2.gz KABGOXUWJQWYLW-RDJZCZTQSA-N -1 0 333.428 3.326 20 30 EGEDRM Cc1cc([C@H](C)OC(=O)c2c(F)cc(C#N)cc2F)oc1C(=O)[O-] ZINC000832872602 604598005 /nfs/dbraw/zinc/59/80/05/604598005.db2.gz RPCAZHVTQJNFKQ-QMMMGPOBSA-N -1 0 335.262 3.354 20 30 EGEDRM C#Cc1cccc(NC(=S)NN=C(C)c2ccc(C(=O)[O-])cc2)c1 ZINC000825636950 604638782 /nfs/dbraw/zinc/63/87/82/604638782.db2.gz XHVFMDPNXWBLQF-UHFFFAOYSA-N -1 0 337.404 3.077 20 30 EGEDRM CC(C)(C#N)c1ccccc1CON=C(N)c1cccc(C(=O)[O-])c1 ZINC000826081511 604649515 /nfs/dbraw/zinc/64/95/15/604649515.db2.gz WHFZTWWSTJATSU-UHFFFAOYSA-N -1 0 337.379 3.233 20 30 EGEDRM C#CC[C@@H](NC(=O)Nc1cc(C(=O)[O-])ccc1F)c1ccccc1 ZINC000833360439 604656087 /nfs/dbraw/zinc/65/60/87/604656087.db2.gz IOXJPYGCAHLJLM-OAHLLOKOSA-N -1 0 326.327 3.410 20 30 EGEDRM CC(C)c1ccc(C=NNc2ccc(C(=O)[O-])cn2)cc1[N+](=O)[O-] ZINC000763370238 604666881 /nfs/dbraw/zinc/66/68/81/604666881.db2.gz OGGANMLVONUMRX-UHFFFAOYSA-N -1 0 328.328 3.257 20 30 EGEDRM N#Cc1ccc([C@@H](OC(=O)c2ccc(F)c(Cl)c2)C(=O)[O-])cc1 ZINC000833070895 604693931 /nfs/dbraw/zinc/69/39/31/604693931.db2.gz BHGRYJMPJAUODN-CQSZACIVSA-N -1 0 333.702 3.333 20 30 EGEDRM C=CCOc1ccc(-c2nnc(SC/C=C(/C)C(=O)[O-])o2)cc1 ZINC000825699416 604756377 /nfs/dbraw/zinc/75/63/77/604756377.db2.gz ZLQUFYOJEDQEAF-FLIBITNWSA-N -1 0 332.381 3.424 20 30 EGEDRM COc1cc(NCC#Cc2ccc(F)cc2)c(C(=O)[O-])cc1OC ZINC000832027212 604813014 /nfs/dbraw/zinc/81/30/14/604813014.db2.gz VQVWTNZFMDGLOR-UHFFFAOYSA-N -1 0 329.327 3.005 20 30 EGEDRM CN(C(=O)[O-])c1ccccc1C(=O)OCC#Cc1ccc(F)cc1 ZINC000830518603 604862623 /nfs/dbraw/zinc/86/26/23/604862623.db2.gz GIBJLUVRLLVFKH-UHFFFAOYSA-N -1 0 327.311 3.148 20 30 EGEDRM N#Cc1c(Cn2nc(C(F)(F)F)c3cnccc32)cccc1C(=O)[O-] ZINC000833760868 604871807 /nfs/dbraw/zinc/87/18/07/604871807.db2.gz HDLBVXHLLUGUNX-UHFFFAOYSA-N -1 0 346.268 3.068 20 30 EGEDRM CCOc1cc(C#N)ccc1OC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000830027122 604878825 /nfs/dbraw/zinc/87/88/25/604878825.db2.gz MXIFJRQGYITDTO-UHFFFAOYSA-N -1 0 329.283 3.013 20 30 EGEDRM N#Cc1ccc([C@@H](OC(=O)[C@@H]2CCCc3sccc32)C(=O)[O-])cc1 ZINC000833071818 604887675 /nfs/dbraw/zinc/88/76/75/604887675.db2.gz JCOWJPVEOXNSKO-GDBMZVCRSA-N -1 0 341.388 3.409 20 30 EGEDRM Cc1sc(NC(=O)Cc2cccc(OCC#N)c2)c(C(=O)[O-])c1C ZINC000833758090 604905967 /nfs/dbraw/zinc/90/59/67/604905967.db2.gz METHRLUCJZUZDI-UHFFFAOYSA-N -1 0 344.392 3.147 20 30 EGEDRM N#Cc1ccccc1/C=C/C(=O)N(CCCC(=O)[O-])Cc1ccccc1 ZINC000833075894 604935719 /nfs/dbraw/zinc/93/57/19/604935719.db2.gz YOLLMPYQLDGYKL-OUKQBFOZSA-N -1 0 348.402 3.465 20 30 EGEDRM C=CCN1C(=O)N[C@H](c2cccc(-c3ccccn3)c2)C(C(=O)[O-])=C1C ZINC000833377404 604943007 /nfs/dbraw/zinc/94/30/07/604943007.db2.gz VMBBDWYSZKPXGM-GOSISDBHSA-N -1 0 349.390 3.360 20 30 EGEDRM C[C@H](C(=O)[O-])n1cccc1C=NNc1ccc(OC(F)(F)F)cc1 ZINC000833407593 605039205 /nfs/dbraw/zinc/03/92/05/605039205.db2.gz TWCLMZZKOIVNGO-SNVBAGLBSA-N -1 0 341.289 3.478 20 30 EGEDRM CC(N=Nc1ccccc1C(=O)[O-])c1ccc(N2CCOC2=O)cc1 ZINC000748582603 605097825 /nfs/dbraw/zinc/09/78/25/605097825.db2.gz FRJWPYQBKOKJBS-UHFFFAOYSA-N -1 0 339.351 3.178 20 30 EGEDRM C#CCCCCNC(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000229758947 605125848 /nfs/dbraw/zinc/12/58/48/605125848.db2.gz JKIMLNPMZLHAAD-UHFFFAOYSA-N -1 0 339.189 3.072 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@H]1CCC(=O)C[C@@H]1C ZINC000833379847 605130703 /nfs/dbraw/zinc/13/07/03/605130703.db2.gz NXNSGTCYRYHZGZ-NHYWBVRUSA-N -1 0 346.379 3.033 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1ccc(C)cn1 ZINC000833380117 605144795 /nfs/dbraw/zinc/14/47/95/605144795.db2.gz UXMFVDCKNAVABN-UHFFFAOYSA-N -1 0 327.336 3.045 20 30 EGEDRM C[C@@H](Oc1ccc(/C=C\C(=O)c2ccnc(Cl)c2)cc1)C(=O)[O-] ZINC000794709497 605145587 /nfs/dbraw/zinc/14/55/87/605145587.db2.gz BQQOMXDWBDAUGT-MEQVVJDKSA-N -1 0 331.755 3.483 20 30 EGEDRM CC(C)(C#N)CCN1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000833409070 605190437 /nfs/dbraw/zinc/19/04/37/605190437.db2.gz YWXREZMBSSJQLU-MRXNPFEDSA-N -1 0 349.862 3.023 20 30 EGEDRM CC1CC(C#N)(C(=O)Nc2ccc(Br)c(C(=O)[O-])c2)C1 ZINC000833592331 605196718 /nfs/dbraw/zinc/19/67/18/605196718.db2.gz KSRQGYWFECCVOH-UHFFFAOYSA-N -1 0 337.173 3.026 20 30 EGEDRM CN(Cc1ccc(NC(=O)Cc2ccccc2CC#N)cc1)C(=O)[O-] ZINC000833695052 605214581 /nfs/dbraw/zinc/21/45/81/605214581.db2.gz HPFVYACSWQRCAW-UHFFFAOYSA-N -1 0 337.379 3.044 20 30 EGEDRM C[C@H](Nc1ccc(NC(=O)[O-])c(F)c1)C(=O)Nc1ccccc1C#N ZINC000833526961 605261533 /nfs/dbraw/zinc/26/15/33/605261533.db2.gz XEAJJJKMKPFLRG-JTQLQIEISA-N -1 0 342.330 3.226 20 30 EGEDRM C=CCOc1cccnc1C(=O)OCc1ccc(NC(=O)[O-])cc1 ZINC000833378316 605304161 /nfs/dbraw/zinc/30/41/61/605304161.db2.gz DKNAHQQDKWFKFH-UHFFFAOYSA-N -1 0 328.324 3.093 20 30 EGEDRM C=CCn1c(S[C@@H](Cc2ccc(F)cc2)C(=O)[O-])nnc1C1CC1 ZINC000833380902 605334384 /nfs/dbraw/zinc/33/43/84/605334384.db2.gz SHZHAUQFRZEDDJ-AWEZNQCLSA-N -1 0 347.415 3.269 20 30 EGEDRM C[C@H]1CC[C@H](C(F)(F)F)CN1Cc1cccc(C(=O)[O-])c1C#N ZINC000833606731 605701271 /nfs/dbraw/zinc/70/12/71/605701271.db2.gz UZGLYHJHXMKJQR-JQWIXIFHSA-N -1 0 326.318 3.419 20 30 EGEDRM CC(C)(C(=O)[O-])[C@H](NC(=O)N1CCC(C)(C#N)CC1)c1ccccc1 ZINC000833551997 605746172 /nfs/dbraw/zinc/74/61/72/605746172.db2.gz XTXZOXPIOCVHRG-OAHLLOKOSA-N -1 0 343.427 3.174 20 30 EGEDRM Cc1nc(C)c(C(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2)s1 ZINC000042233847 1291437410 /nfs/dbraw/zinc/43/74/10/1291437410.db2.gz CICBQKWJYLRWMT-UHFFFAOYSA-N -1 0 330.818 3.107 20 30 EGEDRM O=C(CCCc1c[nH]c2ccccc12)[N-]S(=O)(=O)c1cccnc1 ZINC000042322890 1291440183 /nfs/dbraw/zinc/44/01/83/1291440183.db2.gz SOCFKTVWLGGZKE-UHFFFAOYSA-N -1 0 343.408 3.231 20 30 EGEDRM COc1ccc(CC(=O)[N-]S(=O)(=O)C=Cc2ccccc2)cc1F ZINC000042320144 1291440457 /nfs/dbraw/zinc/44/04/57/1291440457.db2.gz JALMTXJLOAEDHZ-MDZDMXLPSA-N -1 0 349.383 3.334 20 30 EGEDRM Cc1ccc(C)c(C(=O)[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000042339915 1291441885 /nfs/dbraw/zinc/44/18/85/1291441885.db2.gz FSYANSXNBXUNQU-UHFFFAOYSA-N -1 0 348.380 3.046 20 30 EGEDRM O=C(Cc1ccc2c(c1)CCC2)[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC000045099729 1291505620 /nfs/dbraw/zinc/50/56/20/1291505620.db2.gz ZBBGSBFVMXDFJL-UHFFFAOYSA-N -1 0 347.411 3.343 20 30 EGEDRM O=C([N-]S(=O)(=O)c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000046708502 1291551651 /nfs/dbraw/zinc/55/16/51/1291551651.db2.gz ACFGBBIBDGFCKC-UHFFFAOYSA-N -1 0 329.299 3.399 20 30 EGEDRM CC(C)(Oc1ccc(F)cc1)C(=O)[N-]S(=O)(=O)c1cccs1 ZINC000048427866 1291604650 /nfs/dbraw/zinc/60/46/50/1291604650.db2.gz NRDIIGNSRPQEAT-UHFFFAOYSA-N -1 0 343.401 3.390 20 30 EGEDRM O=C([N-]S(=O)(=O)c1cccs1)c1cccc(Br)c1 ZINC000048427046 1291604966 /nfs/dbraw/zinc/60/49/66/1291604966.db2.gz FNHKHXIRCDRFGM-UHFFFAOYSA-N -1 0 346.227 3.204 20 30 EGEDRM Cc1nc(C)c(C(=O)[N-]S(=O)(=O)c2ccccc2Cl)s1 ZINC000048518901 1291608759 /nfs/dbraw/zinc/60/87/59/1291608759.db2.gz CTRVPQRHKNSRFB-UHFFFAOYSA-N -1 0 330.818 3.107 20 30 EGEDRM CC(=CC(=O)[N-]S(=O)(=O)c1ccccc1Br)C1CC1 ZINC000048519673 1291608946 /nfs/dbraw/zinc/60/89/46/1291608946.db2.gz WOCGCXLVYNYNDH-HJWRWDBZSA-N -1 0 344.230 3.451 20 30 EGEDRM O=C(CCC1CCCC1)[N-]S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000058151041 1291880832 /nfs/dbraw/zinc/88/08/32/1291880832.db2.gz XZEWTKAVGUATIS-UHFFFAOYSA-N -1 0 330.837 3.492 20 30 EGEDRM Cc1ccc(C(=O)[N-]S(=O)(=O)Cc2ccc(Cl)nc2)cc1F ZINC000058150124 1291881042 /nfs/dbraw/zinc/88/10/42/1291881042.db2.gz BVDJDTQPWDBZDZ-UHFFFAOYSA-N -1 0 342.779 3.017 20 30 EGEDRM N#Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2F)cc1 ZINC000064690914 1292063854 /nfs/dbraw/zinc/06/38/54/1292063854.db2.gz KSBUCEUQPHDHRK-UHFFFAOYSA-N -1 0 338.747 3.044 20 30 EGEDRM CCCCS(=O)(=O)[N-]C(=O)CCCOc1ccc(F)cc1F ZINC000065644256 1292084299 /nfs/dbraw/zinc/08/42/99/1292084299.db2.gz CUQZKUNOCMCFSD-UHFFFAOYSA-N -1 0 335.372 3.210 20 30 EGEDRM CC(C)(C)OC(=O)N(CC/N=C/c1cc([N+](=O)[O-])ccc1[O-])C1CC1 ZINC000066255480 1292108363 /nfs/dbraw/zinc/10/83/63/1292108363.db2.gz PPRNGJPIPKUVRD-WOJGMQOQSA-N -1 0 349.387 3.119 20 30 EGEDRM CCS[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccc(F)cc1)C(C)C ZINC000067600394 1292163547 /nfs/dbraw/zinc/16/35/47/1292163547.db2.gz WNEXRBBQUXIWEY-CYBMUJFWSA-N -1 0 333.450 3.390 20 30 EGEDRM C[C@@H]1CCCC[C@H]1OCC(=O)[N-]S(=O)(=O)c1ccccc1F ZINC000073087394 1292305102 /nfs/dbraw/zinc/30/51/02/1292305102.db2.gz ZCMFXBWXABUUMG-DGCLKSJQSA-N -1 0 329.393 3.066 20 30 EGEDRM C[C@H]1CCCC[C@H]1OCC(=O)[N-]S(=O)(=O)c1ccccc1F ZINC000073087395 1292305460 /nfs/dbraw/zinc/30/54/60/1292305460.db2.gz ZCMFXBWXABUUMG-WCQYABFASA-N -1 0 329.393 3.066 20 30 EGEDRM O=C([N-]S(=O)(=O)c1ccccc1Cl)[C@@H]1COc2ccccc21 ZINC000073087347 1292305695 /nfs/dbraw/zinc/30/56/95/1292305695.db2.gz RDMJNVBCFMBMFQ-LLVKDONJSA-N -1 0 337.784 3.161 20 30 EGEDRM CCO[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000075778116 1292411095 /nfs/dbraw/zinc/41/10/95/1292411095.db2.gz PYTHENCRTRRFDY-SCZZXKLOSA-N -1 0 338.212 3.064 20 30 EGEDRM CC(C)c1cc(C(=O)[N-]S(=O)(=O)Cc2ccccc2Cl)[nH]n1 ZINC000083791408 1292690165 /nfs/dbraw/zinc/69/01/65/1292690165.db2.gz AWPWUTVJGNXUPS-UHFFFAOYSA-N -1 0 341.820 3.021 20 30 EGEDRM O=C([N-]S(=O)(=O)Cc1ccccc1Cl)c1ccccc1F ZINC000083791918 1292690912 /nfs/dbraw/zinc/69/09/12/1292690912.db2.gz CFMOFMLKBSZPFK-UHFFFAOYSA-N -1 0 327.764 3.314 20 30 EGEDRM COc1ccccc1C[C@H](C)CC(=O)[N-]S(=O)(=O)C1CCCC1 ZINC000086055471 1292727263 /nfs/dbraw/zinc/72/72/63/1292727263.db2.gz MXTDSDNGESMFHX-ZDUSSCGKSA-N -1 0 339.457 3.493 20 30 EGEDRM Cc1cccc(C)c1OCCC(=O)[N-]S(=O)(=O)C1CCCC1 ZINC000086056333 1292728638 /nfs/dbraw/zinc/72/86/38/1292728638.db2.gz NVNFCQXSOTWSHE-UHFFFAOYSA-N -1 0 325.430 3.301 20 30 EGEDRM CCCc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CC2(Cl)Cl)cc1 ZINC000097465416 1292961079 /nfs/dbraw/zinc/96/10/79/1292961079.db2.gz WTPUGRKOAONADY-NSHDSACASA-N -1 0 336.240 3.478 20 30 EGEDRM CC(C)n1cc(/C=C\C(=O)c2cccc(O[C@H](C)C(=O)[O-])c2)cn1 ZINC000098055920 1292962197 /nfs/dbraw/zinc/96/21/97/1292962197.db2.gz GLSMKCTZWVAPIE-MEJMFZKBSA-N -1 0 328.368 3.212 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2nc(-c3ccccc3)cs2)C(=O)O1 ZINC000102713744 1292980982 /nfs/dbraw/zinc/98/09/82/1292980982.db2.gz NJIBLZSYUVOVAK-OZSKJFCKSA-N -1 0 339.372 3.038 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2csc(-c3cccs3)n2)C(=O)O1 ZINC000102970886 1292988641 /nfs/dbraw/zinc/98/86/41/1292988641.db2.gz GALLPATXMWTODS-ISZGNANSSA-N -1 0 345.401 3.100 20 30 EGEDRM CC(C)NC(=O)C(C#N)=C([O-])c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000103330349 1293002631 /nfs/dbraw/zinc/00/26/31/1293002631.db2.gz XXINCZZMVSBWEG-GOSISDBHSA-N -1 0 347.374 3.198 20 30 EGEDRM CC(CCc1ccc(O[C@H](C)C(=O)[O-])cc1)N=N[C@H](C)C(F)(F)F ZINC000834999856 1293184726 /nfs/dbraw/zinc/18/47/26/1293184726.db2.gz YODOXXFNIDXKSC-VXGBXAGGSA-N -1 0 346.349 3.387 20 30 EGEDRM C=CC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(OCC)c2ccccc21 ZINC000835187187 1293229687 /nfs/dbraw/zinc/22/96/87/1293229687.db2.gz ZVNBRNNTISUSBX-UHFFFAOYSA-N -1 0 347.436 3.256 20 30 EGEDRM C[C@@H]1CCc2c(C([O-])=C(C#N)C(=O)NC3CCCC3)csc2C1 ZINC000119713281 1293284787 /nfs/dbraw/zinc/28/47/87/1293284787.db2.gz SVVVBBLRJAUTSM-RISCZKNCSA-N -1 0 330.453 3.254 20 30 EGEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1ccc(OCC2CC2)cc1 ZINC000121255492 1293362431 /nfs/dbraw/zinc/36/24/31/1293362431.db2.gz RDQVCXGNZARPMQ-LJQANCHMSA-N -1 0 348.402 3.114 20 30 EGEDRM CSc1ccc(S(=O)(=O)[N-]c2cc(N(C)C)ccc2C#N)cc1 ZINC000121788275 1293389836 /nfs/dbraw/zinc/38/98/36/1293389836.db2.gz POYDLPNGXOGZTH-UHFFFAOYSA-N -1 0 347.465 3.147 20 30 EGEDRM CCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2OCC#N)cc1 ZINC000122394056 1293411053 /nfs/dbraw/zinc/41/10/53/1293411053.db2.gz WDRAWIBFYLJKTQ-UHFFFAOYSA-N -1 0 334.372 3.091 20 30 EGEDRM CC(C)NC(=O)C(C#N)=C([O-])c1cc(Cl)cc(C(F)(F)F)c1 ZINC000123857990 1293457767 /nfs/dbraw/zinc/45/77/67/1293457767.db2.gz IITGQKLBOINIAE-NSHDSACASA-N -1 0 332.709 3.206 20 30 EGEDRM COC(=O)[C@H](C)Oc1ccc(/C=C/C(=O)c2ccccc2[O-])cc1 ZINC000125618304 1293512900 /nfs/dbraw/zinc/51/29/00/1293512900.db2.gz VRPWQNIRGFHDBE-SRXBQZRASA-N -1 0 326.348 3.229 20 30 EGEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1ccc(OC(F)F)cc1 ZINC000127253864 1293557467 /nfs/dbraw/zinc/55/74/67/1293557467.db2.gz ABQUDAIPKYSLDV-CQSZACIVSA-N -1 0 336.338 3.059 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)C(=O)NC(C)C)c(C)n1C1CCCCC1 ZINC000130890548 1293671891 /nfs/dbraw/zinc/67/18/91/1293671891.db2.gz BEGAHHUNDLFWAQ-QGZVFWFLSA-N -1 0 329.444 3.457 20 30 EGEDRM C#CC[C@H](C)OC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000132735058 1293727598 /nfs/dbraw/zinc/72/75/98/1293727598.db2.gz SHBNFKGWXDQPJT-LBPRGKRZSA-N -1 0 349.433 3.118 20 30 EGEDRM O=C(/C=C/c1cnn(-c2ccccc2)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000136503786 1293817290 /nfs/dbraw/zinc/81/72/90/1293817290.db2.gz MKGPNTPNPJJYQX-SOFGYWHQSA-N -1 0 335.319 3.382 20 30 EGEDRM CC(C)(C)c1[n-]n(Cc2cccc3c2OCCO3)c(=O)c1CCC#N ZINC000153517578 1294017226 /nfs/dbraw/zinc/01/72/26/1294017226.db2.gz WZQMQNNPCVONQV-UHFFFAOYSA-N -1 0 341.411 3.162 20 30 EGEDRM CC(=O)N(c1nc(/C=C/C(=O)c2ccccc2[O-])cs1)C1CC1 ZINC000156605371 1294151220 /nfs/dbraw/zinc/15/12/20/1294151220.db2.gz WPGGTAIYYJGZGP-RMKNXTFCSA-N -1 0 328.393 3.260 20 30 EGEDRM C#Cc1cccc(NC(=O)NCc2ccc(O)c(Br)c2)c1 ZINC000158336223 1294201952 /nfs/dbraw/zinc/20/19/52/1294201952.db2.gz VPAMWLIKDRLKCH-UHFFFAOYSA-N -1 0 345.196 3.458 20 30 EGEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1ccc(Cl)c(F)c1 ZINC000161939045 1294303153 /nfs/dbraw/zinc/30/31/53/1294303153.db2.gz QZVNPQOXDDKSPC-ZDUSSCGKSA-N -1 0 330.746 3.118 20 30 EGEDRM CCCCCC[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1 ZINC000174147675 1294482889 /nfs/dbraw/zinc/48/28/89/1294482889.db2.gz APQXKRJHNRBIOX-CQSZACIVSA-N -1 0 336.457 3.111 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)COc2cccc(Br)c2)c1 ZINC000176403265 1294603571 /nfs/dbraw/zinc/60/35/71/1294603571.db2.gz NPIXMUJWDNVOBB-UHFFFAOYSA-N -1 0 347.168 3.044 20 30 EGEDRM Cc1[nH]c(C(=O)Nc2cc(C#N)ccc2[O-])c(C)c1C(=O)OC(C)C ZINC000176815075 1294634362 /nfs/dbraw/zinc/63/43/62/1294634362.db2.gz KRYIKPQRMZBGLY-UHFFFAOYSA-N -1 0 341.367 3.026 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)Cc2ccc(Br)cc2)c1 ZINC000176824274 1294635943 /nfs/dbraw/zinc/63/59/43/1294635943.db2.gz FYQJPVSMVTVYKS-UHFFFAOYSA-N -1 0 331.169 3.208 20 30 EGEDRM C=C[C@@H](CC(=O)[N-]S(=O)(=O)CC1CCCCC1)c1ccccc1 ZINC000179041226 1294770963 /nfs/dbraw/zinc/77/09/63/1294770963.db2.gz XASOIPBHVFUDPW-INIZCTEOSA-N -1 0 335.469 3.373 20 30 EGEDRM COc1ccc(SCCC(=O)Nc2cc(C#N)ccc2[O-])cc1 ZINC000179734373 1294821590 /nfs/dbraw/zinc/82/15/90/1294821590.db2.gz YAFUPGJPUYYDQI-UHFFFAOYSA-N -1 0 328.393 3.393 20 30 EGEDRM C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(CCC)CC(=O)[O-] ZINC000184897348 1295225852 /nfs/dbraw/zinc/22/58/52/1295225852.db2.gz KXKIRKKKKCLUAM-UHFFFAOYSA-N -1 0 345.317 3.207 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)c1ccc(-c2ccc(OC)cc2)cc1F ZINC000191275200 1295665084 /nfs/dbraw/zinc/66/50/84/1295665084.db2.gz XKVZEEQTRIZWDI-UHFFFAOYSA-N -1 0 343.354 3.214 20 30 EGEDRM C=CCC1(C(=O)[N-]S(=O)(=O)C2=Cc3ccccc3CC2)CCC1 ZINC000192219567 1295744086 /nfs/dbraw/zinc/74/40/86/1295744086.db2.gz PSDWTZFUFRBQDI-UHFFFAOYSA-N -1 0 331.437 3.166 20 30 EGEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1cnc(F)cc1C)c1ccccc1 ZINC000870310390 1295804798 /nfs/dbraw/zinc/80/47/98/1295804798.db2.gz WULBFXJJRDAWOC-ZBFHGGJFSA-N -1 0 339.370 3.119 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)C(=O)NC2CC2)c(C)n1[C@H](C)c1ccccc1 ZINC000193464078 1295872191 /nfs/dbraw/zinc/87/21/91/1295872191.db2.gz YAPQIGCYNUNXBF-AUUYWEPGSA-N -1 0 349.434 3.315 20 30 EGEDRM C=CCn1c(=O)c2ccc(C(=O)N[C@@H](C)[C@H](C)CC)cc2[n-]c1=S ZINC000194675172 1295998358 /nfs/dbraw/zinc/99/83/58/1295998358.db2.gz LOXXPXIWKXEBQX-NEPJUHHUSA-N -1 0 345.468 3.036 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)cn1 ZINC000195437432 1296068271 /nfs/dbraw/zinc/06/82/71/1296068271.db2.gz MUSAEURHNLDHLC-UHFFFAOYSA-N -1 0 341.364 3.069 20 30 EGEDRM Oc1ccc(C=Nn2c(=S)[n-]nc2-c2ccc(F)cc2)cc1O ZINC000254706790 1296476277 /nfs/dbraw/zinc/47/62/77/1296476277.db2.gz ALRYTASSMJPOCU-UHFFFAOYSA-N -1 0 330.344 3.040 20 30 EGEDRM COCCOc1ccc(/C=C\C(=O)c2ccc(OC)cc2[O-])cc1 ZINC000255080278 1296496135 /nfs/dbraw/zinc/49/61/35/1296496135.db2.gz DHWAZEKCLLWHOH-YHYXMXQVSA-N -1 0 328.364 3.322 20 30 EGEDRM COc1cc(/C=C\C(=O)c2ccc(F)cc2[O-])cc(OC)c1OC ZINC000255304163 1296517220 /nfs/dbraw/zinc/51/72/20/1296517220.db2.gz CGRSMBMEPYHKPJ-DAXSKMNVSA-N -1 0 332.327 3.453 20 30 EGEDRM CN(C)[C@@H](C/N=C\c1cc([N+](=O)[O-])ccc1[O-])c1c(F)cccc1F ZINC000255558655 1296546107 /nfs/dbraw/zinc/54/61/07/1296546107.db2.gz KTWXCUZNHHECIK-CIYLQVQQSA-N -1 0 349.337 3.300 20 30 EGEDRM COCCOc1cccc(/C=C\C(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000255679123 1296559643 /nfs/dbraw/zinc/55/96/43/1296559643.db2.gz MMKQJRZUBQORHE-ALCCZGGFSA-N -1 0 343.335 3.222 20 30 EGEDRM CCOc1ccc(S(=O)(=O)[N-]c2ncccc2C#N)cc1C(C)C ZINC000872003108 1296643186 /nfs/dbraw/zinc/64/31/86/1296643186.db2.gz HAERAJYGGMZBEX-UHFFFAOYSA-N -1 0 345.424 3.276 20 30 EGEDRM C=CCC[C@H](NC(=O)Nc1cccc(Br)c1C)C(=O)[O-] ZINC000316203704 1297140584 /nfs/dbraw/zinc/14/05/84/1297140584.db2.gz YYHIESIJPMOHBN-LBPRGKRZSA-N -1 0 341.205 3.298 20 30 EGEDRM C=C(Br)CNC(=O)[C@](C)(CC(=O)[O-])C1CCCCC1 ZINC000872914492 1297169048 /nfs/dbraw/zinc/16/90/48/1297169048.db2.gz JNPYZHDSKBYEJD-CQSZACIVSA-N -1 0 332.238 3.073 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2ccc(SC(F)F)cc2)C(=O)O1 ZINC000588419644 1298062134 /nfs/dbraw/zinc/06/21/34/1298062134.db2.gz ANLPWLYALPWXRA-HJHHMULASA-N -1 0 338.331 3.230 20 30 EGEDRM CCN1c2ccc(C)cc2C(=N[N-]c2oc(C(C)C)nc2C#N)C1=O ZINC000745612169 1298430373 /nfs/dbraw/zinc/43/03/73/1298430373.db2.gz SMDRUCJOZHCTNJ-UHFFFAOYSA-N -1 0 337.383 3.161 20 30 EGEDRM CC(C)c1nc(C#N)c([N-]N=C2c3ccccc3N(C(C)C)C2=O)o1 ZINC000745612119 1298430421 /nfs/dbraw/zinc/43/04/21/1298430421.db2.gz PUWONMVINOIHEA-UHFFFAOYSA-N -1 0 337.383 3.241 20 30 EGEDRM C#Cc1cccc(NC(=O)c2ccc(-n3ncc(C(=O)[O-])c3C)cc2)c1 ZINC000746334647 1298572571 /nfs/dbraw/zinc/57/25/71/1298572571.db2.gz DAMGITOAQJZNOJ-UHFFFAOYSA-N -1 0 345.358 3.113 20 30 EGEDRM CCc1nc2ccccc2n1N=Cc1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000746681413 1298639842 /nfs/dbraw/zinc/63/98/42/1298639842.db2.gz BWIFWISXRZNBBQ-CYBMUJFWSA-N -1 0 337.379 3.333 20 30 EGEDRM Cc1ccc([N+](=O)[O-])cc1NN=Cc1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000747060130 1298719202 /nfs/dbraw/zinc/71/92/02/1298719202.db2.gz JAEPOBHGXKSRSW-LBPRGKRZSA-N -1 0 343.339 3.201 20 30 EGEDRM COc1ccc(/C=C\C(=O)c2cccc(OCC(=O)[O-])c2)cc1F ZINC000747113125 1298730016 /nfs/dbraw/zinc/73/00/16/1298730016.db2.gz SYMHAFXGQDWWAY-ALCCZGGFSA-N -1 0 330.311 3.194 20 30 EGEDRM COc1cc(/C=C2\Cc3ccc(F)cc3C2=O)ccc1OCC(=O)[O-] ZINC000749004038 1299124211 /nfs/dbraw/zinc/12/42/11/1299124211.db2.gz SGLFUURIAYIWLQ-AWNIVKPZSA-N -1 0 342.322 3.120 20 30 EGEDRM O=C([O-])COc1cccc(/C=C2\Cc3c(c(F)ccc3F)C2=O)c1 ZINC000749581950 1299240117 /nfs/dbraw/zinc/24/01/17/1299240117.db2.gz HNWBNCVHLWWWDP-IZZDOVSWSA-N -1 0 330.286 3.251 20 30 EGEDRM COCCOc1ccccc1/C=C\C(=O)c1ccc(CC(=O)[O-])cc1 ZINC000751514531 1299559797 /nfs/dbraw/zinc/55/97/97/1299559797.db2.gz MZXKOAOCYRFGAY-KHPPLWFESA-N -1 0 340.375 3.235 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2cnn(-c3ccc(Cl)cc3)n2)n1 ZINC000752471694 1299742464 /nfs/dbraw/zinc/74/24/64/1299742464.db2.gz XSEABLLLMMKUGD-LBPRGKRZSA-N -1 0 343.799 3.176 20 30 EGEDRM C=CCN(C(=O)c1cccc(I)c1[O-])C(C)C ZINC000755246214 1300305583 /nfs/dbraw/zinc/30/55/83/1300305583.db2.gz XUIPCJFTCJKTIY-UHFFFAOYSA-N -1 0 345.180 3.033 20 30 EGEDRM Cn1c(C=NNc2ccc(C(=O)[O-])cc2)nc2cc(Cl)ccc21 ZINC000755453812 1300340587 /nfs/dbraw/zinc/34/05/87/1300340587.db2.gz CHINMWKOHQPHAO-UHFFFAOYSA-N -1 0 328.759 3.371 20 30 EGEDRM O=C([O-])C(=O)/C(=C\c1ccc(O)c(F)c1)c1ccc2ccccc2n1 ZINC000755570310 1300360327 /nfs/dbraw/zinc/36/03/27/1300360327.db2.gz HCHFUVNGYYSADE-LCYFTJDESA-N -1 0 337.306 3.274 20 30 EGEDRM Cc1ccc(O)c(C(=O)/C=C\c2ccc(OCCC(=O)[O-])cc2)c1 ZINC000757469052 1300673948 /nfs/dbraw/zinc/67/39/48/1300673948.db2.gz YVTNKSWFUKSCKK-UITAMQMPSA-N -1 0 326.348 3.450 20 30 EGEDRM COc1ccc(/C=C\C(=O)c2cc(F)cc(F)c2[O-])cc1[N+](=O)[O-] ZINC000757475164 1300675047 /nfs/dbraw/zinc/67/50/47/1300675047.db2.gz ZACFJQIJGHIZBQ-RQOWECAXSA-N -1 0 335.262 3.483 20 30 EGEDRM COc1cc2c(cc1/C=C\C(=O)c1csc(C(=O)[O-])c1)OCO2 ZINC000758929135 1300982547 /nfs/dbraw/zinc/98/25/47/1300982547.db2.gz ASBVCTWKZKDTRT-IHWYPQMZSA-N -1 0 332.333 3.080 20 30 EGEDRM C[C@H](C#N)Oc1ccc(/C=C\C(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000759088583 1301012168 /nfs/dbraw/zinc/01/21/68/1301012168.db2.gz BUAFRHGMHBWSFQ-HXUAIIEXSA-N -1 0 338.319 3.487 20 30 EGEDRM C=CCCCC(=O)C(C#N)=C([O-])c1c(C)[nH]c(C)c1C(=O)OCC ZINC000759241721 1301047930 /nfs/dbraw/zinc/04/79/30/1301047930.db2.gz XKHGOBNEEPQLBO-ZDUSSCGKSA-N -1 0 330.384 3.056 20 30 EGEDRM O=C([O-])c1csc(/C=C2/S/C(=N\C3CCCCC3)NC2=O)c1 ZINC000765823447 1302335687 /nfs/dbraw/zinc/33/56/87/1302335687.db2.gz FFSZYLLTKPSWGH-KPKJPENVSA-N -1 0 336.438 3.339 20 30 EGEDRM N#Cc1cc([N-]S(=O)(=O)c2c(Cl)ccnc2Cl)ccc1F ZINC000766896881 1302542383 /nfs/dbraw/zinc/54/23/83/1302542383.db2.gz UTKYEEGQSYKCKG-UHFFFAOYSA-N -1 0 346.170 3.200 20 30 EGEDRM COc1cc(/C=C\C(=O)c2csc(C(=O)[O-])c2)ccc1[N+](=O)[O-] ZINC000770572423 1303287060 /nfs/dbraw/zinc/28/70/60/1303287060.db2.gz HEFHKEUCSUPPCW-HYXAFXHYSA-N -1 0 333.321 3.259 20 30 EGEDRM O=C(/C=C/c1cc([O-])ccc1[N+](=O)[O-])c1cnn(Cc2ccccc2)c1 ZINC000772800495 1303577984 /nfs/dbraw/zinc/57/79/84/1303577984.db2.gz GOJHGIQVTBFCHP-RMKNXTFCSA-N -1 0 349.346 3.441 20 30 EGEDRM CC(C)NC(=O)C(C#N)=C([O-])c1cccn1[C@@H](C)Cc1ccccc1 ZINC000773767310 1303737227 /nfs/dbraw/zinc/73/72/27/1303737227.db2.gz BDIYKSSXIWDFHJ-DOTOQJQBSA-N -1 0 337.423 3.139 20 30 EGEDRM COc1ccc(C([O-])=C(C#N)C(=O)NCc2ccccc2)cc1C1CC1 ZINC000774042498 1303767449 /nfs/dbraw/zinc/76/74/49/1303767449.db2.gz JGNSWTJWDGZFMU-SFHVURJKSA-N -1 0 348.402 3.211 20 30 EGEDRM COCCOc1cccc(F)c1C(=O)/C=C/c1cccc(C(=O)[O-])c1 ZINC000774136950 1303778036 /nfs/dbraw/zinc/77/80/36/1303778036.db2.gz CZLWLEVBSPEKOV-CMDGGOBGSA-N -1 0 344.338 3.445 20 30 EGEDRM CCOCCON=Cc1ccc(OCc2cc(C)c(C(=O)[O-])o2)cc1 ZINC000774435423 1303809221 /nfs/dbraw/zinc/80/92/21/1303809221.db2.gz GSYYCEMRMYLEBN-UHFFFAOYSA-N -1 0 347.367 3.252 20 30 EGEDRM C#CCOc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000775298503 1303935934 /nfs/dbraw/zinc/93/59/34/1303935934.db2.gz WEMXIBBGWBHBLK-UHFFFAOYSA-N -1 0 339.775 3.292 20 30 EGEDRM C#CCOc1ccccc1[N-]S(=O)(=O)c1ccc(OCCC)cc1 ZINC000775296556 1303935958 /nfs/dbraw/zinc/93/59/58/1303935958.db2.gz YUEKHYYJWIQZJF-UHFFFAOYSA-N -1 0 345.420 3.288 20 30 EGEDRM C#CCOc1ccccc1NC(=O)c1ccc(Br)cc1[O-] ZINC000775939567 1304066442 /nfs/dbraw/zinc/06/64/42/1304066442.db2.gz VWFGQVDFHPFQJR-UHFFFAOYSA-N -1 0 346.180 3.419 20 30 EGEDRM Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)N(C)CCC3)c1C#N ZINC000776086797 1304092651 /nfs/dbraw/zinc/09/26/51/1304092651.db2.gz OEECWGPGAOHRHH-UHFFFAOYSA-N -1 0 341.436 3.050 20 30 EGEDRM CC(=NNc1ccnc2ccccc21)c1cc(C(=O)[O-])c(C)nc1C ZINC000776730159 1304188958 /nfs/dbraw/zinc/18/89/58/1304188958.db2.gz QFZRFWGIFHDKIK-UHFFFAOYSA-N -1 0 334.379 3.203 20 30 EGEDRM Cn1cc(C=NNc2cccc(C(=O)[O-])c2)c(-c2ccc(C#N)cc2)n1 ZINC000777878030 1304359116 /nfs/dbraw/zinc/35/91/16/1304359116.db2.gz BHXROTTXFQBVMI-UHFFFAOYSA-N -1 0 345.362 3.103 20 30 EGEDRM CCCCCCCC(=O)[N-]S(=O)(=O)CCc1ccc(OC)cc1 ZINC000778893124 1304506961 /nfs/dbraw/zinc/50/69/61/1304506961.db2.gz RBEQBSPGQLGTRI-UHFFFAOYSA-N -1 0 341.473 3.044 20 30 EGEDRM C[C@@H](C#N)Oc1ccccc1NC(=O)C[C@H](C(=O)[O-])c1ccccc1 ZINC000779703684 1304594020 /nfs/dbraw/zinc/59/40/20/1304594020.db2.gz KEPDFQULVLFPKH-ZFWWWQNUSA-N -1 0 338.363 3.174 20 30 EGEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)[C@@H](C)[C@@H](C)CC ZINC000780320299 1304675666 /nfs/dbraw/zinc/67/56/66/1304675666.db2.gz YAQSQESJKCLGCM-COPLHBTASA-N -1 0 346.427 3.382 20 30 EGEDRM C=CCC[C@@H](NC(=O)N[C@H](CC(F)F)C(=O)[O-])c1ccccc1 ZINC000780689715 1304725325 /nfs/dbraw/zinc/72/53/25/1304725325.db2.gz KNJFRIQNOTXSBY-CHWSQXEVSA-N -1 0 326.343 3.102 20 30 EGEDRM CSc1nnc(C/N=C\c2cc(Br)ccc2O)s1 ZINC000782194504 1304928844 /nfs/dbraw/zinc/92/88/44/1304928844.db2.gz NVQQPVQVHRLLTP-ACAGNQJTSA-N -1 0 344.259 3.347 20 30 EGEDRM COc1cc(F)c(C(=O)/C=C/c2cc(C(=O)[O-])cs2)cc1OC ZINC000782206216 1304930951 /nfs/dbraw/zinc/93/09/51/1304930951.db2.gz ISLWUBPLVBLTJF-ONEGZZNKSA-N -1 0 336.340 3.499 20 30 EGEDRM CCCCCC[C@H](CC)C(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1 ZINC000783704414 1305130638 /nfs/dbraw/zinc/13/06/38/1305130638.db2.gz SXIKCHPPKKGMER-ZDUSSCGKSA-N -1 0 344.415 3.346 20 30 EGEDRM N#CC(C(=O)NC1CC1)=C([O-])c1sc2cccc(F)c2c1Cl ZINC000892497004 1305406583 /nfs/dbraw/zinc/40/65/83/1305406583.db2.gz UXFQKGONHWGABA-MRVPVSSYSA-N -1 0 336.775 3.295 20 30 EGEDRM CCC(=O)c1ccc(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)cc1 ZINC000786552779 1305596133 /nfs/dbraw/zinc/59/61/33/1305596133.db2.gz QFILMOJRLXFXAB-SFHVURJKSA-N -1 0 348.402 3.227 20 30 EGEDRM N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000787843111 1305810614 /nfs/dbraw/zinc/81/06/14/1305810614.db2.gz JMYURHSJBFLSTN-AWEZNQCLSA-N -1 0 335.388 3.405 20 30 EGEDRM C=CCN(C(=O)Nc1ncccc1C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000788319329 1305920648 /nfs/dbraw/zinc/92/06/48/1305920648.db2.gz KOMQHGKFKKYPFH-MRXNPFEDSA-N -1 0 339.395 3.106 20 30 EGEDRM Cc1ccc(C(=O)[O-])cc1C(C)N=Nc1nnc(-c2ccccc2)n1C ZINC000788424305 1305939206 /nfs/dbraw/zinc/93/92/06/1305939206.db2.gz GIMBTLZVLFTWRA-UHFFFAOYSA-N -1 0 349.394 3.325 20 30 EGEDRM [O-]c1c(Cl)cc(Cl)cc1C=NN[C@H](CO)c1ccccc1 ZINC000788467315 1305950169 /nfs/dbraw/zinc/95/01/69/1305950169.db2.gz AKZKDHHJNXITHI-CQSZACIVSA-N -1 0 325.195 3.356 20 30 EGEDRM COc1cc(NN=Cc2[nH]nc3cc(C(=O)[O-])ccc32)ccc1Cl ZINC000788471969 1305951646 /nfs/dbraw/zinc/95/16/46/1305951646.db2.gz MCJULZAXDYBJSR-UHFFFAOYSA-N -1 0 344.758 3.369 20 30 EGEDRM CC(=NNc1nnc(C)c(=O)[n-]1)c1ccc(OC(C)C)c(Cl)c1 ZINC000788966176 1306053386 /nfs/dbraw/zinc/05/33/86/1306053386.db2.gz JUMCHCPFRMRSLB-UHFFFAOYSA-N -1 0 335.795 3.162 20 30 EGEDRM N#C[C@H](c1ccccc1)N1CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000893863989 1306104140 /nfs/dbraw/zinc/10/41/40/1306104140.db2.gz OEPDBXWYTPVHAQ-GOSISDBHSA-N -1 0 343.377 3.053 20 30 EGEDRM CC(N=Nc1cccc(F)c1[N+](=O)[O-])c1cccc(OCC(=O)[O-])c1 ZINC000790311104 1306298038 /nfs/dbraw/zinc/29/80/38/1306298038.db2.gz WSENFXAORKEWJS-UHFFFAOYSA-N -1 0 347.302 3.033 20 30 EGEDRM N#CC1(CS(=O)(=O)[N-]C(=O)c2ccc(C3CCC3)cc2)CCCC1 ZINC000791871830 1309082144 /nfs/dbraw/zinc/08/21/44/1309082144.db2.gz YLQSDOQTHKTQMF-UHFFFAOYSA-N -1 0 346.452 3.098 20 30 EGEDRM CN(C)C(=O)c1ccc(C(=O)/C=C/c2cc(F)c([O-])c(F)c2)cc1 ZINC000792925680 1309262101 /nfs/dbraw/zinc/26/21/01/1309262101.db2.gz UUISYMADMFPKPJ-FPYGCLRLSA-N -1 0 331.318 3.268 20 30 EGEDRM CC[C@@H](NN=Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)[O-] ZINC000793056574 1309288226 /nfs/dbraw/zinc/28/82/26/1309288226.db2.gz GXGHPYTXXAIHBN-GOSISDBHSA-N -1 0 348.406 3.326 20 30 EGEDRM CC[C@@H](NN=Cc1ccc(Oc2ccc(OC)cc2)cc1)C(=O)[O-] ZINC000793077869 1309291767 /nfs/dbraw/zinc/29/17/67/1309291767.db2.gz IYXQXRODUODUGY-QGZVFWFLSA-N -1 0 328.368 3.274 20 30 EGEDRM CNc1c(C([O-])=C(C#N)c2cnc3ccccc3n2)cccc1[N+](=O)[O-] ZINC000793280521 1309339186 /nfs/dbraw/zinc/33/91/86/1309339186.db2.gz GEZFXKJBAOPJST-GFCCVEGCSA-N -1 0 347.334 3.070 20 30 EGEDRM CC(=NNc1ccccc1C(=O)[O-])c1ccc(Br)cn1 ZINC000794481626 1309535066 /nfs/dbraw/zinc/53/50/66/1309535066.db2.gz FXGPDLRMVKNHMS-UHFFFAOYSA-N -1 0 334.173 3.378 20 30 EGEDRM Cn1cc(C=Nn2c(=S)[n-]nc2C(F)(F)F)c2cc(F)ccc21 ZINC000794848409 1309608554 /nfs/dbraw/zinc/60/85/54/1309608554.db2.gz NFTWFGQVEDKWAW-UHFFFAOYSA-N -1 0 343.309 3.099 20 30 EGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)C[C@H]1CCC(=O)[C@@H]1C ZINC000796628641 1310049270 /nfs/dbraw/zinc/04/92/70/1310049270.db2.gz LFPITWOGPIDSFJ-UXIGCNINSA-N -1 0 336.391 3.373 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(C(C)(C)C#N)cc1 ZINC000796630317 1310051358 /nfs/dbraw/zinc/05/13/58/1310051358.db2.gz LHMYNENNTMOJBO-INIZCTEOSA-N -1 0 325.412 3.117 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cnc2c(F)cccc2c1 ZINC000796740556 1310076757 /nfs/dbraw/zinc/07/67/57/1310076757.db2.gz LNHOBXYPZKSUCV-CQSZACIVSA-N -1 0 327.359 3.003 20 30 EGEDRM Cc1ccnc2ccc(C([O-])=C(C#N)C(=O)NC3CCCCC3)cc12 ZINC000796785916 1310085891 /nfs/dbraw/zinc/08/58/91/1310085891.db2.gz ADNCEDYSQNLTDP-QGZVFWFLSA-N -1 0 335.407 3.315 20 30 EGEDRM Cc1c2cc(C#N)ccc2sc1C(=O)[N-]S(=O)(=O)C1CCCC1 ZINC000796964437 1310116958 /nfs/dbraw/zinc/11/69/58/1310116958.db2.gz RZBWWSCDLVZTBW-UHFFFAOYSA-N -1 0 348.449 3.084 20 30 EGEDRM COc1ccccc1-n1nccc1C=NNc1ccc(C(=O)[O-])cc1 ZINC000797399042 1310183498 /nfs/dbraw/zinc/18/34/98/1310183498.db2.gz YMBRYEMSDLEACA-UHFFFAOYSA-N -1 0 336.351 3.025 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)NCC(C)(C)Cc1cccc(Cl)c1 ZINC000797729571 1310238288 /nfs/dbraw/zinc/23/82/88/1310238288.db2.gz QLTUAAOXXBSQNX-UHFFFAOYSA-N -1 0 338.835 3.191 20 30 EGEDRM C#CCOc1cccc(NC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])c1 ZINC000797742738 1310240519 /nfs/dbraw/zinc/24/05/19/1310240519.db2.gz DTZGYSINZAVWAE-KRWDZBQOSA-N -1 0 344.411 3.244 20 30 EGEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1ccc(Oc2ccccc2)cn1 ZINC000799603443 1310587979 /nfs/dbraw/zinc/58/79/79/1310587979.db2.gz HXBLPTYQCPJCPC-QGZVFWFLSA-N -1 0 349.390 3.255 20 30 EGEDRM Cc1[nH]c(C=NNc2ccccc2OC(F)(F)F)cc1C(=O)[O-] ZINC000800815784 1310810401 /nfs/dbraw/zinc/81/04/01/1310810401.db2.gz NQMHLDGGXSRBCX-UHFFFAOYSA-N -1 0 327.262 3.366 20 30 EGEDRM COc1ccc(Cl)cc1C=Nn1c(=O)c2ccccc2[n-]c1=S ZINC000917541077 1319833036 /nfs/dbraw/zinc/83/30/36/1319833036.db2.gz MIYLQPAJNUCCTB-UHFFFAOYSA-N -1 0 345.811 3.229 20 30 EGEDRM C=CCCC(=O)[C@H]1CCCN1C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000820449560 1319892374 /nfs/dbraw/zinc/89/23/74/1319892374.db2.gz XGFFRRDSQCOJLY-CYBMUJFWSA-N -1 0 330.409 3.256 20 30 EGEDRM CCCc1nc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)co1 ZINC000802042665 1316975453 /nfs/dbraw/zinc/97/54/53/1316975453.db2.gz UZRSUDWVNYMTAD-JTQLQIEISA-N -1 0 349.749 3.381 20 30 EGEDRM O=C(/C=C/c1cnn(CC2CCC2)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000899363299 1317001276 /nfs/dbraw/zinc/00/12/76/1317001276.db2.gz AUBZQKLRDZZJKT-GQCTYLIASA-N -1 0 327.340 3.193 20 30 EGEDRM CC[C@](C)(C#N)C(=O)[N-]OCc1ccc(F)cc1Br ZINC000803154574 1317087359 /nfs/dbraw/zinc/08/73/59/1317087359.db2.gz XKDPPAORHLEVGB-CYBMUJFWSA-N -1 0 329.169 3.076 20 30 EGEDRM COc1ccccc1-n1nccc1/C=C/C(=O)c1cccc(C(=O)[O-])c1 ZINC000806558563 1317500688 /nfs/dbraw/zinc/50/06/88/1317500688.db2.gz GIOCPQYORDTLNM-MDZDMXLPSA-N -1 0 348.358 3.475 20 30 EGEDRM O=C([O-])c1cccc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000806558986 1317500772 /nfs/dbraw/zinc/50/07/72/1317500772.db2.gz REWQVYOCEZJNOC-FNORWQNLSA-N -1 0 342.263 3.097 20 30 EGEDRM Cc1ccccc1-n1cc(/C=C/C(=O)c2ccc(C(=O)[O-])s2)nn1 ZINC000806570965 1317503506 /nfs/dbraw/zinc/50/35/06/1317503506.db2.gz OGFQSPNMQMZUJF-VOTSOKGWSA-N -1 0 339.376 3.232 20 30 EGEDRM O=C(/C=C/c1cc(F)c([O-])c(F)c1)c1cccc(-n2ccnn2)c1 ZINC000806576267 1317504946 /nfs/dbraw/zinc/50/49/46/1317504946.db2.gz YIQNEFNOKZQWGC-SNAWJCMRSA-N -1 0 327.290 3.147 20 30 EGEDRM Cc1cc(S(=O)(=O)Nc2cc(Cl)c([O-])cc2F)ccc1C#N ZINC000808114751 1317627194 /nfs/dbraw/zinc/62/71/94/1317627194.db2.gz GUJNPXDPWZEQFJ-UHFFFAOYSA-N -1 0 340.763 3.166 20 30 EGEDRM CC[C@@H](C)Oc1cccc(S(=O)(=O)[N-]c2cc(C#N)cc(C)n2)c1 ZINC000903141142 1317663097 /nfs/dbraw/zinc/66/30/97/1317663097.db2.gz NGMLXKCJZZPGQG-CYBMUJFWSA-N -1 0 345.424 3.240 20 30 EGEDRM O=C([O-])c1cc(/C=C\C(=O)c2ccc(-n3cccn3)cc2)ccc1O ZINC000809154734 1317775984 /nfs/dbraw/zinc/77/59/84/1317775984.db2.gz CSBFLXYAXJDCOJ-WAPJZHGLSA-N -1 0 334.331 3.172 20 30 EGEDRM O=C([O-])c1cc(/C=C2/CCOc3cc(F)ccc3C2=O)ccc1O ZINC000809158638 1317776700 /nfs/dbraw/zinc/77/67/00/1317776700.db2.gz VLLYOPPEAOWWJL-XFFZJAGNSA-N -1 0 328.295 3.278 20 30 EGEDRM COc1ccc2c(c1)C(=O)/C(=C/c1ccc(O)c(C(=O)[O-])c1)CCO2 ZINC000809157559 1317777187 /nfs/dbraw/zinc/77/71/87/1317777187.db2.gz LCJHDRFJUDBAIV-XYOKQWHBSA-N -1 0 340.331 3.148 20 30 EGEDRM COc1ccc(/C=C\C(=O)c2cccc(OCC(=O)[O-])c2)cc1C ZINC000810225139 1317980055 /nfs/dbraw/zinc/98/00/55/1317980055.db2.gz VEMCPFHFARJHCL-VURMDHGXSA-N -1 0 326.348 3.363 20 30 EGEDRM CCc1c(C)sc([N-]S(=O)(=O)c2ccccc2OC)c1C#N ZINC000906072834 1318033683 /nfs/dbraw/zinc/03/36/83/1318033683.db2.gz MDJGTUZMCITSJV-UHFFFAOYSA-N -1 0 336.438 3.300 20 30 EGEDRM C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1CC12CCC(C(C)(C)CC)CC2 ZINC000810782916 1318056692 /nfs/dbraw/zinc/05/66/92/1318056692.db2.gz WWQWNAZDBDYSEX-CSLYMUCUSA-N -1 0 339.501 3.088 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)C[C@H](c2ccccc2)C(C)C)CC1 ZINC000810982079 1318085224 /nfs/dbraw/zinc/08/52/24/1318085224.db2.gz XXMSIJDNHYFWRI-INIZCTEOSA-N -1 0 335.469 3.371 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)C[C@@H]2C[C@@H](C)CC(C)(C)C2)CC1 ZINC000810981293 1318085739 /nfs/dbraw/zinc/08/57/39/1318085739.db2.gz PJPVXIIRZWROLB-KGLIPLIRSA-N -1 0 327.490 3.394 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2csc3c2CC[C@@H](C)C3)CC1 ZINC000810980459 1318085801 /nfs/dbraw/zinc/08/58/01/1318085801.db2.gz ZAQGIOPMDMNPBH-LLVKDONJSA-N -1 0 339.482 3.041 20 30 EGEDRM C=CCCC(=O)[C@H]1CCCN1C(=O)c1ccc2oc(=S)[n-]c2c1 ZINC000908662454 1318385037 /nfs/dbraw/zinc/38/50/37/1318385037.db2.gz NDOBPCJLBRTKSY-CYBMUJFWSA-N -1 0 330.409 3.256 20 30 EGEDRM C#CCCCCC(=O)N1CCC(c2nc(C)c(C(=O)[O-])s2)CC1 ZINC000910355691 1318615025 /nfs/dbraw/zinc/61/50/25/1318615025.db2.gz VSKVSGGXMNWZTO-UHFFFAOYSA-N -1 0 334.441 3.049 20 30 EGEDRM C=C[C@@H](CC(=O)N[C@](C)(CC(=O)[O-])c1ccccn1)c1ccccc1 ZINC000911613068 1318752434 /nfs/dbraw/zinc/75/24/34/1318752434.db2.gz XQVQRGATQMDBCL-MGPUTAFESA-N -1 0 338.407 3.248 20 30 EGEDRM CC(=NNc1nc2ccccc2[nH]1)c1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000814709253 1318802079 /nfs/dbraw/zinc/80/20/79/1318802079.db2.gz WKEMRWVPDDYBFA-LBPRGKRZSA-N -1 0 338.367 3.251 20 30 EGEDRM CC(=NNC(=S)NCCC(C)C)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C ZINC000814759280 1318811233 /nfs/dbraw/zinc/81/12/33/1318811233.db2.gz XGHNTLSOFUILQK-OLZOCXBDSA-N -1 0 327.494 3.010 20 30 EGEDRM Cc1ccc(F)c(NC(=S)NN=C2CC[C@H](C(=O)[O-])C[C@@H]2C)c1 ZINC000814820338 1318824517 /nfs/dbraw/zinc/82/45/17/1318824517.db2.gz YYNBFNRJJDTTFI-QWRGUYRKSA-N -1 0 337.420 3.297 20 30 EGEDRM CC(C)(C)n1ncc2c1nc(N=NC1CC[C@H]1C1CCC1)[n-]c2=O ZINC000814846312 1318830117 /nfs/dbraw/zinc/83/01/17/1318830117.db2.gz DKHPFAMVYIVKEX-NSHDSACASA-N -1 0 328.420 3.265 20 30 EGEDRM CC(CCc1ccc(O[C@@H](C)C(=O)[O-])cc1)=NO[C@H]1CCCCO1 ZINC000814886874 1318839655 /nfs/dbraw/zinc/83/96/55/1318839655.db2.gz FYIPWISJZJEQKN-YOEHRIQHSA-N -1 0 335.400 3.390 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1NN=C1COc2cc(C)c(C)cc21 ZINC000814886880 1318840489 /nfs/dbraw/zinc/84/04/89/1318840489.db2.gz JAAAMGUPHUEVCN-UHFFFAOYSA-N -1 0 326.352 3.219 20 30 EGEDRM Cc1cc(C)c(C(=O)[O-])cc1CN=Nc1cc(C#N)cc(Cl)n1 ZINC000814891365 1318841062 /nfs/dbraw/zinc/84/10/62/1318841062.db2.gz SAFBPOKSWXAXMT-UHFFFAOYSA-N -1 0 328.759 3.368 20 30 EGEDRM CC(=NOC1CCOCC1)c1oc2cc(C)ccc2c1CC(=O)[O-] ZINC000814906444 1318844611 /nfs/dbraw/zinc/84/46/11/1318844611.db2.gz VLGVJKOHWYOXFC-UHFFFAOYSA-N -1 0 331.368 3.288 20 30 EGEDRM CC[C@H](NN=C1CC2(CCCCC2)Oc2cc(O)ccc21)C(=O)[O-] ZINC000814936614 1318854284 /nfs/dbraw/zinc/85/42/84/1318854284.db2.gz BZFPGZPUGJTOEZ-AWEZNQCLSA-N -1 0 332.400 3.035 20 30 EGEDRM Cc1cccc2c1NC(=O)C2=N[N-]c1nnc(-c2ccccc2)s1 ZINC000814947286 1318857471 /nfs/dbraw/zinc/85/74/71/1318857471.db2.gz JUZAQHSJXVWJKU-UHFFFAOYSA-N -1 0 335.392 3.282 20 30 EGEDRM O=C([O-])c1ccc2c(C=NNc3ccc(F)c(F)c3F)[nH]nc2c1 ZINC000814946540 1318857984 /nfs/dbraw/zinc/85/79/84/1318857984.db2.gz QTYRZYUKXFOVEZ-UHFFFAOYSA-N -1 0 334.257 3.124 20 30 EGEDRM CC(CCCCCCC(=O)[O-])N=Nc1nc(-c2cccnc2)no1 ZINC000814950784 1318860461 /nfs/dbraw/zinc/86/04/61/1318860461.db2.gz WSOHQTZXMIXPIQ-UHFFFAOYSA-N -1 0 331.376 3.345 20 30 EGEDRM Cc1cc(C=NNCC(=O)[O-])c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000814958760 1318860667 /nfs/dbraw/zinc/86/06/67/1318860667.db2.gz PRHCMEPRUSXQBZ-UHFFFAOYSA-N -1 0 339.317 3.121 20 30 EGEDRM COc1cccc(C(=O)CCCC(=O)Nc2cc(C#N)ccc2[O-])c1 ZINC000815878247 1319066380 /nfs/dbraw/zinc/06/63/80/1319066380.db2.gz YXDNNTNVDHEEBG-UHFFFAOYSA-N -1 0 338.363 3.264 20 30 EGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)c1ncc(C#N)cc1C ZINC000815899481 1319070154 /nfs/dbraw/zinc/07/01/54/1319070154.db2.gz SHPIAFVGBGVSHT-HNNXBMFYSA-N -1 0 342.358 3.257 20 30 EGEDRM CC(=O)Nc1cccc([C@H](C)/N=C\c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000914556597 1319343330 /nfs/dbraw/zinc/34/33/30/1319343330.db2.gz BKKCKOKBWWAVHG-TZQXVGBESA-N -1 0 327.340 3.439 20 30 EGEDRM C[C@@H](C/N=C/c1cc([N+](=O)[O-])ccc1[O-])N1CCc2ccccc21 ZINC000914701150 1319365519 /nfs/dbraw/zinc/36/55/19/1319365519.db2.gz BBEURSHOACLRLY-HCZVKUGISA-N -1 0 325.368 3.171 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)CCCc2ccccc2)n1 ZINC000915587621 1319504078 /nfs/dbraw/zinc/50/40/78/1319504078.db2.gz PJBOTKFVYHLPPX-OAHLLOKOSA-N -1 0 342.420 3.194 20 30 EGEDRM Cc1c(C(=O)[O-])oc2c1C(=NNC(=S)Nc1ccccc1)CCC2 ZINC000915942860 1319568677 /nfs/dbraw/zinc/56/86/77/1319568677.db2.gz LJIABTFDRWNYNK-UHFFFAOYSA-N -1 0 343.408 3.313 20 30 EGEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1cc2c(cccc2Cl)s1 ZINC000916870469 1319717679 /nfs/dbraw/zinc/71/76/79/1319717679.db2.gz BIKRFUNEDSKSGO-LLVKDONJSA-N -1 0 332.812 3.500 20 30 EGEDRM C=CCNC(=O)C(C#N)=C([O-])c1ccc(-c2ccc(F)cc2)s1 ZINC000916918285 1319725018 /nfs/dbraw/zinc/72/50/18/1319725018.db2.gz QWSLZPFHAXYJLG-ZDUSSCGKSA-N -1 0 328.368 3.179 20 30 EGEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)C=C(C)C1CC1 ZINC000917508858 1319824644 /nfs/dbraw/zinc/82/46/44/1319824644.db2.gz YYBCUUQMCKHKLE-QSYFUGGGSA-N -1 0 342.395 3.056 20 30 EGEDRM C[NH+](C)Cc1cccc(C(=O)/C=C/c2ccc(O)c(C(=O)[O-])c2)c1 ZINC000821021632 1319993955 /nfs/dbraw/zinc/99/39/55/1319993955.db2.gz KCBFOJBAWGYLKA-SOFGYWHQSA-N -1 0 325.364 3.048 20 30 EGEDRM CN(CC(C)(C)C#N)C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-] ZINC000823155946 1320158437 /nfs/dbraw/zinc/15/84/37/1320158437.db2.gz RIXCCJUVUOGYHK-UHFFFAOYSA-N -1 0 326.352 3.086 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)NC[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000837300365 1320594669 /nfs/dbraw/zinc/59/46/69/1320594669.db2.gz UIOFZQIWGPYEOX-NSHDSACASA-N -1 0 344.333 3.091 20 30 EGEDRM CSc1ccc(CCCC(=O)C(C#N)=C([O-])c2nccn2C)cc1 ZINC000842740257 1321426670 /nfs/dbraw/zinc/42/66/70/1321426670.db2.gz PIVQOXSHEFCVKR-OAHLLOKOSA-N -1 0 341.436 3.056 20 30 EGEDRM COc1ccc(C(=O)/C=C/c2ccnn2CC(C)C)cc1CC(=O)[O-] ZINC000843269075 1321496297 /nfs/dbraw/zinc/49/62/97/1321496297.db2.gz MRQXEYLMMRFPKS-AATRIKPKSA-N -1 0 342.395 3.071 20 30 EGEDRM CC(C)NC(=O)C(C#N)=C([O-])c1cnc(-c2cccc(Cl)c2)s1 ZINC000845442423 1321708327 /nfs/dbraw/zinc/70/83/27/1321708327.db2.gz FTLMFLTVJHRCPV-LBPRGKRZSA-N -1 0 347.827 3.311 20 30 EGEDRM Cc1c(C(=O)/C=C\c2ccc(C(=O)[O-])cc2)nnn1-c1ccc(C)cc1 ZINC000918752784 1321990747 /nfs/dbraw/zinc/99/07/47/1321990747.db2.gz BEZLVECFEDUNQH-GHXNOFRVSA-N -1 0 347.374 3.478 20 30 EGEDRM C[C@@H](Oc1cccc(C(=O)/C=C/c2c(C3CC3)cnn2C)c1)C(=O)[O-] ZINC000849245336 1322100587 /nfs/dbraw/zinc/10/05/87/1322100587.db2.gz HEWKEXFQBNVCJI-IDVQTMNDSA-N -1 0 340.379 3.046 20 30 EGEDRM CCCc1ccc(S(=O)(=O)[N-]C(=O)CC2(C#N)CCCCC2)cc1 ZINC000850736715 1322281717 /nfs/dbraw/zinc/28/17/17/1322281717.db2.gz MAFCTSIMVQVUQZ-UHFFFAOYSA-N -1 0 348.468 3.308 20 30 EGEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1cccc(N2CCCC2)c1 ZINC000850756567 1322284420 /nfs/dbraw/zinc/28/44/20/1322284420.db2.gz BJNUKXFCLPLSGT-SFHVURJKSA-N -1 0 339.439 3.058 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cnn2cccc(Cl)c12 ZINC000850751496 1322284819 /nfs/dbraw/zinc/28/48/19/1322284819.db2.gz CJXKBWHFHVYYNB-GFCCVEGCSA-N -1 0 346.818 3.007 20 30 EGEDRM C=CCCC(=O)O[C@H]1C[C@@H]([N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000851176327 1322345851 /nfs/dbraw/zinc/34/58/51/1322345851.db2.gz OMEJCKSZADITFC-OLZOCXBDSA-N -1 0 327.302 3.360 20 30 EGEDRM C#CCCCC(=O)[N-]S(=O)(=O)c1c(C)cc(C(C)(C)C)cc1C ZINC000851469619 1323049062 /nfs/dbraw/zinc/04/90/62/1323049062.db2.gz SGQDQHOZPXSYOA-UHFFFAOYSA-N -1 0 335.469 3.209 20 30 EGEDRM CCn1nccc1[C@@H]1OCCC[C@H]1CN=Nc1ccc(C(=O)[O-])cc1 ZINC000853253192 1325072772 /nfs/dbraw/zinc/07/27/72/1325072772.db2.gz ZBAQSXPMSNQXQF-WMLDXEAASA-N -1 0 342.399 3.167 20 30 EGEDRM CC(C)(C)c1[n-]n(CCCCC2(C)OCCO2)c(=O)c1CCC#N ZINC000853676801 1325146543 /nfs/dbraw/zinc/14/65/43/1325146543.db2.gz VWENTPARSZMFFK-UHFFFAOYSA-N -1 0 335.448 3.276 20 30 EGEDRM C=CCCO[N-]C(=O)CSc1nc(C)nc2sc(C)c(C)c21 ZINC000856028090 1325439736 /nfs/dbraw/zinc/43/97/36/1325439736.db2.gz AUKGXZGIMRBUFX-UHFFFAOYSA-N -1 0 337.470 3.333 20 30 EGEDRM C=CCC[C@H](NC(=O)N[C@@H](C[C@H]1CCCO1)C(=O)[O-])c1ccccc1 ZINC000929044408 1328495382 /nfs/dbraw/zinc/49/53/82/1328495382.db2.gz MQXPQCCDBCYKRS-IKGGRYGDSA-N -1 0 346.427 3.015 20 30 EGEDRM CCc1ccc(F)cc1C(=O)OCC([O-])=C(C#N)c1nc(C)cs1 ZINC000869803955 1330567319 /nfs/dbraw/zinc/56/73/19/1330567319.db2.gz BXHLYHXILKMOJQ-CQSZACIVSA-N -1 0 346.383 3.186 20 30 EGEDRM CC(C)(C)OC(=O)N(CCC#N)CC(=O)Nc1ccccc1[S-] ZINC001184855783 1387549729 /nfs/dbraw/zinc/54/97/29/1387549729.db2.gz JHXBRIHFAXNFDE-UHFFFAOYSA-N -1 0 335.429 3.065 20 30 EGEDRM N#Cc1cc(OC(F)(F)F)ccc1[N-]S(=O)(=O)c1ccsc1 ZINC001185392309 1387703093 /nfs/dbraw/zinc/70/30/93/1387703093.db2.gz NTBVEIJXQSDDSP-UHFFFAOYSA-N -1 0 348.327 3.319 20 30 EGEDRM N#Cc1ccc(CNC(=O)C=C([O-])c2ccccc2Cl)cc1F ZINC001185435014 1387716613 /nfs/dbraw/zinc/71/66/13/1387716613.db2.gz CPMLHNZLNXXMHU-UHFFFAOYSA-N -1 0 330.746 3.240 20 30 EGEDRM CC1(C)CCC[C@H]([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)C1 ZINC001189307054 1366983243 /nfs/dbraw/zinc/98/32/43/1366983243.db2.gz ALJYIBNTTSLELV-NSHDSACASA-N -1 0 328.384 3.084 20 30 EGEDRM C#Cc1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)cn1 ZINC001190302904 1367222452 /nfs/dbraw/zinc/22/24/52/1367222452.db2.gz PGOFAEFGYZYVRH-UHFFFAOYSA-N -1 0 344.289 3.022 20 30 EGEDRM N#Cc1c(Cl)cccc1[N-]S(=O)(=O)c1cc(F)cc(F)c1F ZINC001190391114 1367249517 /nfs/dbraw/zinc/24/95/17/1367249517.db2.gz PRVHCBFNFQVAEF-UHFFFAOYSA-N -1 0 346.717 3.430 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cc3c(s2)CCCC3)c1 ZINC001190619633 1367309903 /nfs/dbraw/zinc/30/99/03/1367309903.db2.gz WYXRMKZJPXHEAS-UHFFFAOYSA-N -1 0 336.413 3.438 20 30 EGEDRM CCc1ccc(OC)c([N-]S(=O)(=O)c2cc(C#N)ccc2F)c1 ZINC001190656139 1367320504 /nfs/dbraw/zinc/32/05/04/1367320504.db2.gz UIPJMAPXDFEZIC-UHFFFAOYSA-N -1 0 334.372 3.069 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)N[C@@H]2CCC[C@@H]3CCCC[C@@H]23)c1 ZINC001190665506 1367321841 /nfs/dbraw/zinc/32/18/41/1367321841.db2.gz NPTBFBHPPIWHJH-SQWLQELKSA-N -1 0 336.432 3.335 20 30 EGEDRM CC(C)Cc1cc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)on1 ZINC001190932340 1367384184 /nfs/dbraw/zinc/38/41/84/1367384184.db2.gz FDIDGPAWTIKTRT-UHFFFAOYSA-N -1 0 339.804 3.199 20 30 EGEDRM CCOC(=O)c1nc(C(=O)[N-]c2c(C#N)oc3ccccc32)cs1 ZINC001190948990 1367388663 /nfs/dbraw/zinc/38/86/63/1367388663.db2.gz CINXBEQORWOVDX-UHFFFAOYSA-N -1 0 341.348 3.190 20 30 EGEDRM COc1cc(C)cc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC001190970096 1367391654 /nfs/dbraw/zinc/39/16/54/1367391654.db2.gz YSXSLITUJGFQEC-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1c(C)ccnc1C#N ZINC001191670094 1367557424 /nfs/dbraw/zinc/55/74/24/1367557424.db2.gz DAPICMSSXKXMQF-UHFFFAOYSA-N -1 0 345.424 3.195 20 30 EGEDRM Cc1c(Cl)ccc(S(=O)(=O)[N-]c2ccc(C#N)nc2)c1Cl ZINC001191727959 1367571215 /nfs/dbraw/zinc/57/12/15/1367571215.db2.gz CUOQZXCUPDCZIJ-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM Cc1cc(C#N)c(NC(=O)c2nc(Br)ccc2[O-])s1 ZINC001191733368 1367573540 /nfs/dbraw/zinc/57/35/40/1367573540.db2.gz GJPMCGQSIHEYKZ-UHFFFAOYSA-N -1 0 338.186 3.044 20 30 EGEDRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1cc(C#N)ccc1C ZINC001191820964 1367600286 /nfs/dbraw/zinc/60/02/86/1367600286.db2.gz AJAGJNHZFATRAV-UHFFFAOYSA-N -1 0 330.409 3.375 20 30 EGEDRM N#Cc1sccc1[N-]S(=O)(=O)Cc1ccc(Cl)cc1F ZINC001191866149 1367619259 /nfs/dbraw/zinc/61/92/59/1367619259.db2.gz NAYAYIVMQOXONS-UHFFFAOYSA-N -1 0 330.793 3.354 20 30 EGEDRM COC(=O)c1ccc([O-])c(C(=O)Nc2c(C#N)oc3ccccc32)c1 ZINC001192377289 1367767742 /nfs/dbraw/zinc/76/77/42/1367767742.db2.gz PHIYEWHNTKXDKL-UHFFFAOYSA-N -1 0 336.303 3.049 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2cc(C#N)c(C)cc2C)cnc1Cl ZINC001192579548 1367824047 /nfs/dbraw/zinc/82/40/47/1367824047.db2.gz KHYKCYMCXJIZJE-UHFFFAOYSA-N -1 0 335.816 3.333 20 30 EGEDRM COc1ccc(C#N)cc1NC(=O)c1cc(Cl)nc(Cl)c1[O-] ZINC001193093374 1367942252 /nfs/dbraw/zinc/94/22/52/1367942252.db2.gz IYUAKXXIMUOBRX-UHFFFAOYSA-N -1 0 338.150 3.227 20 30 EGEDRM C[Si](C)(C)C#Cc1cc(Cl)ccc1NC(=O)c1cc(=O)[nH][n-]1 ZINC001193473200 1368039387 /nfs/dbraw/zinc/03/93/87/1368039387.db2.gz KFSVTTLGONNEMC-UHFFFAOYSA-N -1 0 333.851 3.250 20 30 EGEDRM N#Cc1cccc(C(=O)NCc2ccccc2OC(F)(F)F)c1[O-] ZINC001193635204 1368081128 /nfs/dbraw/zinc/08/11/28/1368081128.db2.gz QHYVPGYREUBGLH-UHFFFAOYSA-N -1 0 336.269 3.092 20 30 EGEDRM N#Cc1cccc(C(=O)Nc2nc(Cl)c(Cl)nc2Cl)c1[O-] ZINC001193643110 1368082319 /nfs/dbraw/zinc/08/23/19/1368082319.db2.gz WMANFWKNCLVUCV-UHFFFAOYSA-N -1 0 343.557 3.266 20 30 EGEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cc(Cl)cs2)c1 ZINC001193653510 1368085771 /nfs/dbraw/zinc/08/57/71/1368085771.db2.gz HCFGQXUQBLCQDR-UHFFFAOYSA-N -1 0 328.802 3.083 20 30 EGEDRM N#Cc1cccc(C(=O)Nc2cc(C(F)(F)F)c(F)cc2N)c1[O-] ZINC001193652617 1368086048 /nfs/dbraw/zinc/08/60/48/1368086048.db2.gz KGWREXIXXBYARE-UHFFFAOYSA-N -1 0 339.248 3.256 20 30 EGEDRM C=C(C)c1ccccc1[N-]S(=O)(=O)c1cc(OC)ccc1C#N ZINC001193680691 1368092779 /nfs/dbraw/zinc/09/27/79/1368092779.db2.gz ANBYXKQONBORFK-UHFFFAOYSA-N -1 0 328.393 3.401 20 30 EGEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2ccc3oc(C)cc3c2)c1 ZINC001193680814 1368093222 /nfs/dbraw/zinc/09/32/22/1368093222.db2.gz HRXRNUVUOVBMKL-UHFFFAOYSA-N -1 0 342.376 3.422 20 30 EGEDRM Cc1nc(C#N)c([N-]S(=O)(=O)c2ccc(C)c3ccccc32)o1 ZINC001193833960 1368125295 /nfs/dbraw/zinc/12/52/95/1368125295.db2.gz TUXLXGVZZNKXIV-UHFFFAOYSA-N -1 0 327.365 3.117 20 30 EGEDRM N#Cc1cc(Cl)cc(Cl)c1[N-]S(=O)(=O)c1ccccc1N ZINC001193923567 1368148921 /nfs/dbraw/zinc/14/89/21/1368148921.db2.gz AQRQWQQFGOZCKA-UHFFFAOYSA-N -1 0 342.207 3.248 20 30 EGEDRM C=CCN(C(C)(C)C)S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC001193996543 1368163952 /nfs/dbraw/zinc/16/39/52/1368163952.db2.gz HYOLLSYPXXVHDD-UHFFFAOYSA-N -1 0 349.811 3.153 20 30 EGEDRM N#Cc1ccc(C(=O)N2CCOC[C@H]2c2ccc(Cl)cc2)c([O-])c1 ZINC001195749870 1368481812 /nfs/dbraw/zinc/48/18/12/1368481812.db2.gz BXBBOUCYMQFBKG-INIZCTEOSA-N -1 0 342.782 3.131 20 30 EGEDRM N#Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(Cl)cn2)c1 ZINC001196245431 1368575418 /nfs/dbraw/zinc/57/54/18/1368575418.db2.gz ZLSHOUAEEUDQCN-UHFFFAOYSA-N -1 0 328.180 3.061 20 30 EGEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(C(F)F)cn1 ZINC001196652378 1368656377 /nfs/dbraw/zinc/65/63/77/1368656377.db2.gz XWFPNSJTYLBXCT-UHFFFAOYSA-N -1 0 343.742 3.345 20 30 EGEDRM Cc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)c(C)cc1O ZINC001196679722 1368661126 /nfs/dbraw/zinc/66/11/26/1368661126.db2.gz HSJWFOGEBKCJJD-UHFFFAOYSA-N -1 0 336.800 3.335 20 30 EGEDRM N#Cc1cc(Cl)c(Cl)cc1[N-]S(=O)(=O)Cc1cccnc1 ZINC001197464983 1368820983 /nfs/dbraw/zinc/82/09/83/1368820983.db2.gz JVVDDYZAXDLBJQ-UHFFFAOYSA-N -1 0 342.207 3.202 20 30 EGEDRM N#Cc1c(Cl)cccc1[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC001197604005 1368852738 /nfs/dbraw/zinc/85/27/38/1368852738.db2.gz YUEKMMAOGMJVNE-UHFFFAOYSA-N -1 0 342.754 3.432 20 30 EGEDRM Cc1ccnc(S(=O)(=O)[N-]c2ccc(C#N)c(C(F)(F)F)c2)c1 ZINC001197999894 1368939099 /nfs/dbraw/zinc/93/90/99/1368939099.db2.gz UFEJIJPVHDTDNV-UHFFFAOYSA-N -1 0 341.314 3.081 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)n2)c(Cl)c1 ZINC001198187038 1368975979 /nfs/dbraw/zinc/97/59/79/1368975979.db2.gz AWBYKROXKSQMPU-UHFFFAOYSA-N -1 0 328.180 3.061 20 30 EGEDRM Cc1cc(C#N)cc(Cl)c1[N-]S(=O)(=O)c1cccc(Cl)n1 ZINC001198231364 1368984959 /nfs/dbraw/zinc/98/49/59/1368984959.db2.gz LCTVGQQJUPULKI-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM N#Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1cccc(Cl)n1 ZINC001198234072 1368986115 /nfs/dbraw/zinc/98/61/15/1368986115.db2.gz HMAIDXKXYFXJKW-UHFFFAOYSA-N -1 0 328.180 3.061 20 30 EGEDRM COc1ccc(S(=O)(=O)[N-]c2c(Cl)cccc2C#N)c(C)c1 ZINC001198941474 1369153913 /nfs/dbraw/zinc/15/39/13/1369153913.db2.gz DSMNXNFRQPUPIL-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)n2)cc1C#N ZINC001201292771 1369511982 /nfs/dbraw/zinc/51/19/82/1369511982.db2.gz LUGVDZREOUCILK-UHFFFAOYSA-N -1 0 341.314 3.081 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c3cccnc23)cc1C#N ZINC001201319514 1369518354 /nfs/dbraw/zinc/51/83/54/1369518354.db2.gz BCUOHYVDLHVWHK-UHFFFAOYSA-N -1 0 341.367 3.355 20 30 EGEDRM N#Cc1ccc(NC(=O)c2cc(F)c(F)c([O-])c2F)c2cccnc12 ZINC001186788971 1388009256 /nfs/dbraw/zinc/00/92/56/1388009256.db2.gz ZLSYJSXLOUTFBS-UHFFFAOYSA-N -1 0 343.264 3.482 20 30 EGEDRM N#Cc1cc([N-]S(=O)(=O)c2cc3c(s2)CCCC3)ccc1F ZINC001187206942 1388070900 /nfs/dbraw/zinc/07/09/00/1388070900.db2.gz MKRAMHHNVAGCMY-UHFFFAOYSA-N -1 0 336.413 3.438 20 30 EGEDRM C=CC[C@H](NC(=O)N[C@H](CC)c1ccccc1OC(F)F)C(=O)[O-] ZINC001119714737 1371393054 /nfs/dbraw/zinc/39/30/54/1371393054.db2.gz GXGDGTYIENRJNV-NEPJUHHUSA-N -1 0 342.342 3.068 20 30 EGEDRM C=C[C@@H](CC)CC(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccc(F)cc2F)C1 ZINC001120418495 1371568642 /nfs/dbraw/zinc/56/86/42/1371568642.db2.gz RLLJDIADGNUOQO-GLQYFDAESA-N -1 0 337.366 3.194 20 30 EGEDRM N#Cc1ncc(Br)cc1Nc1cc(F)cc(C(=O)[O-])c1 ZINC001209884824 1372222311 /nfs/dbraw/zinc/22/23/11/1372222311.db2.gz DDVMNMKCFMRSEP-UHFFFAOYSA-N -1 0 336.120 3.297 20 30 EGEDRM COc1ccc(C(=O)[O-])cc1Nc1cnc(C#N)c(C(F)(F)F)c1 ZINC001210254295 1372306899 /nfs/dbraw/zinc/30/68/99/1372306899.db2.gz LMMRAQOTNCSXLY-UHFFFAOYSA-N -1 0 337.257 3.422 20 30 EGEDRM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)ccc1C#N ZINC001187969020 1388200288 /nfs/dbraw/zinc/20/02/88/1388200288.db2.gz KOERFRCVYFGZCA-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM N#Cc1cnc2ccnn2c1Nc1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC001211481977 1372566791 /nfs/dbraw/zinc/56/67/91/1372566791.db2.gz XLRKMBUCDSPWKP-UHFFFAOYSA-N -1 0 347.256 3.062 20 30 EGEDRM CCCCCCCCS(=O)(=O)[N-]c1c(F)cccc1C(N)=O ZINC001188018202 1388216763 /nfs/dbraw/zinc/21/67/63/1388216763.db2.gz YVEPALHYBOMYBU-UHFFFAOYSA-N -1 0 330.425 3.027 20 30 EGEDRM N#C[C@@H]1CC=C(Nc2ccc3c(O)cc(S(=O)(=O)[O-])cc3c2)CC1 ZINC001212863911 1372787320 /nfs/dbraw/zinc/78/73/20/1372787320.db2.gz JMXGOBLBIFWPAL-LLVKDONJSA-N -1 0 344.392 3.412 20 30 EGEDRM CCOC(=O)c1c(C)oc(Nc2cc(OC)cc(C(=O)[O-])c2)c1C#N ZINC001213587008 1372929630 /nfs/dbraw/zinc/92/96/30/1372929630.db2.gz YPVBIEDKHOVNGY-UHFFFAOYSA-N -1 0 344.323 3.087 20 30 EGEDRM CCOc1ccc(C(=O)[O-])cc1Nc1ccc(C(=O)OC)cc1C#N ZINC001214279328 1373036811 /nfs/dbraw/zinc/03/68/11/1373036811.db2.gz IAYJGGAHWAZCBE-UHFFFAOYSA-N -1 0 340.335 3.185 20 30 EGEDRM N#Cc1cc2cccnc2nc1Nc1ccc(F)c(C(=O)[O-])c1F ZINC001215267896 1373192667 /nfs/dbraw/zinc/19/26/67/1373192667.db2.gz HYMYVUYCQASDGN-UHFFFAOYSA-N -1 0 326.262 3.221 20 30 EGEDRM COc1c(F)cc(-c2noc(-c3ccc([O-])c(C#N)c3)n2)cc1F ZINC001216969785 1373373305 /nfs/dbraw/zinc/37/33/05/1373373305.db2.gz QSYNRDMYOVQDSC-UHFFFAOYSA-N -1 0 329.262 3.268 20 30 EGEDRM N#Cc1cccc(-c2nc(-c3cccc(C(F)(F)F)n3)no2)c1[O-] ZINC001216979721 1373375026 /nfs/dbraw/zinc/37/50/26/1373375026.db2.gz HDNGWEYXXVKUAQ-UHFFFAOYSA-N -1 0 332.241 3.395 20 30 EGEDRM N#Cc1cccc(-c2nc(-c3ccncc3Br)no2)c1[O-] ZINC001216980148 1373375063 /nfs/dbraw/zinc/37/50/63/1373375063.db2.gz RLDZRGUDLKCJMG-UHFFFAOYSA-N -1 0 343.140 3.138 20 30 EGEDRM CCCCCCC[C@H](CCCCCC)Oc1c([O-])c(=O)c(=O)c1=O ZINC001225830058 1375161636 /nfs/dbraw/zinc/16/16/36/1375161636.db2.gz DMPBBIXKLBQCHA-AWEZNQCLSA-N -1 0 338.444 3.427 20 30 EGEDRM N#Cc1c(O[C@@H]2COCc3ccccc32)[n-]c(=O)cc1C(F)(F)F ZINC001226066100 1375198622 /nfs/dbraw/zinc/19/86/22/1375198622.db2.gz YSCHEPXYEVCXDN-CYBMUJFWSA-N -1 0 336.269 3.328 20 30 EGEDRM C=C[C@@]1(C)CC[C@@H](C(C)(C)Oc2n[n-]c(=O)cc2Br)O1 ZINC001226849170 1375345956 /nfs/dbraw/zinc/34/59/56/1375345956.db2.gz LWDRCESZJJXRPI-HZMBPMFUSA-N -1 0 343.221 3.226 20 30 EGEDRM C=CC[C@H](C=C)Oc1c([O-])c(C(=O)OCC)sc1C(=O)OCC ZINC001227494496 1375437852 /nfs/dbraw/zinc/43/78/52/1375437852.db2.gz BOUQGAKNDONDQX-JTQLQIEISA-N -1 0 340.397 3.317 20 30 EGEDRM N#CC1CCC(Oc2cc3cc(S(=O)(=O)[O-])ccc3cc2O)CC1 ZINC001227635247 1375457705 /nfs/dbraw/zinc/45/77/05/1375457705.db2.gz IPIOPXFKNKHFLN-UHFFFAOYSA-N -1 0 347.392 3.253 20 30 EGEDRM C=C(C)C[C@@H](Oc1nc[n-]c(=O)c1I)C(=C)C ZINC001228934047 1375719966 /nfs/dbraw/zinc/71/99/66/1375719966.db2.gz WQHVMNSVUWOFDE-SECBINFHSA-N -1 0 346.168 3.077 20 30 EGEDRM CC1N=NC(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)=C1[O-] ZINC001136455178 1377394998 /nfs/dbraw/zinc/39/49/98/1377394998.db2.gz XHPCGFYOVQREAI-UHFFFAOYSA-N -1 0 334.335 3.340 20 30 EGEDRM N#CC[C@@H]1CCC[N@@H+](Cc2cc(Br)c(F)cc2[O-])C1 ZINC001144300274 1378712426 /nfs/dbraw/zinc/71/24/26/1378712426.db2.gz ZWXCWHWCKGCSQD-JTQLQIEISA-N -1 0 327.197 3.419 20 30 EGEDRM Cc1c(C(=O)Nc2cc(C#N)c(F)cc2[O-])nc2c(Cl)cccn12 ZINC001155448681 1380455168 /nfs/dbraw/zinc/45/51/68/1380455168.db2.gz NLJZSCLGVLFLHL-UHFFFAOYSA-N -1 0 344.733 3.265 20 30 EGEDRM CCOC(=O)c1c(C)oc(Nc2ccc(C(=O)[O-])c(OC)c2)c1C#N ZINC001174684570 1385134119 /nfs/dbraw/zinc/13/41/19/1385134119.db2.gz UZQIJEOWUKBZLV-UHFFFAOYSA-N -1 0 344.323 3.087 20 30 EGEDRM COC(=O)c1cc(C#N)cc(C)c1Nc1ccc(C(=O)[O-])c(OC)c1 ZINC001174688111 1385134604 /nfs/dbraw/zinc/13/46/04/1385134604.db2.gz PPYXNYUNCPFNSO-UHFFFAOYSA-N -1 0 340.335 3.104 20 30 EGEDRM N#Cc1cc(F)cc(Nc2cc(S(=O)(=O)[O-])ccc2Cl)c1 ZINC001175689825 1385375353 /nfs/dbraw/zinc/37/53/53/1385375353.db2.gz UEMFPPIMSVHUIK-UHFFFAOYSA-N -1 0 326.736 3.341 20 30 EGEDRM N#Cc1cc(Nc2ccc(CN3CCOCC3)cc2F)c([O-])cc1F ZINC001176489734 1385603743 /nfs/dbraw/zinc/60/37/43/1385603743.db2.gz BFWLUQRTZFQRPN-UHFFFAOYSA-N -1 0 345.349 3.118 20 30 EGEDRM COC(=O)c1scc(C#N)c1Nc1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001176580860 1385630866 /nfs/dbraw/zinc/63/08/66/1385630866.db2.gz CICKFVNYHHLPOU-UHFFFAOYSA-N -1 0 342.376 3.266 20 30 EGEDRM C=CC[C@@H](NC(=O)Nc1ccc(Oc2ccc(C)cn2)cc1)C(=O)[O-] ZINC001321583503 1386934723 /nfs/dbraw/zinc/93/47/23/1386934723.db2.gz RDBXSNVUOFDJLQ-OAHLLOKOSA-N -1 0 341.367 3.333 20 30 EGEDRM C=CC[C@H](NC(=O)c1cnc(-c2ccc(C)cc2C)s1)C(=O)[O-] ZINC001321657078 1386950957 /nfs/dbraw/zinc/95/09/57/1386950957.db2.gz BWPANESTEROVLI-ZDUSSCGKSA-N -1 0 330.409 3.186 20 30 EGEDRM C=CC[C@H](NC(=O)Nc1ccc(Oc2cccnc2)c(C)c1)C(=O)[O-] ZINC001322513157 1387198918 /nfs/dbraw/zinc/19/89/18/1387198918.db2.gz GDHHVIXTABMKCG-HNNXBMFYSA-N -1 0 341.367 3.333 20 30 EGEDRM Cc1nc2cc(C([O-])=C(C#N)c3nc(N)c4ccccc4n3)ccc2o1 ZINC001342596078 1390630760 /nfs/dbraw/zinc/63/07/60/1390630760.db2.gz VKEIBNYWRORTCV-ZDUSSCGKSA-N -1 0 343.346 3.152 20 30 EGEDRM N#CC(=C([O-])c1occ2c1CCOC2)c1nccn1Cc1ccccc1 ZINC001342923491 1390673044 /nfs/dbraw/zinc/67/30/44/1390673044.db2.gz FBLOVOLBVRLIEO-KRWDZBQOSA-N -1 0 347.374 3.087 20 30 EGEDRM CCCCn1cc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)c(C)n1 ZINC001343366700 1390709629 /nfs/dbraw/zinc/70/96/29/1390709629.db2.gz PJXJWMGZRNUBAA-AWEZNQCLSA-N -1 0 348.410 3.007 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)c2ncc(Cl)n2C)nn1[C@@H](C)C1CC1 ZINC001345642379 1390871402 /nfs/dbraw/zinc/87/14/02/1390871402.db2.gz IPMZLBSNSCSZHJ-JQWIXIFHSA-N -1 0 331.807 3.040 20 30 EGEDRM CCn1ccnc1C(C#N)=C([O-])c1csc(-c2ccc(C)o2)n1 ZINC001346095552 1390907091 /nfs/dbraw/zinc/90/70/91/1390907091.db2.gz FWIOZSHDYZHLRX-NSHDSACASA-N -1 0 326.381 3.418 20 30 EGEDRM C[C@H](N=Cc1cc(Cl)ccc1O)c1cccc(-c2nn[n-]n2)c1 ZINC000820307547 1429401587 /nfs/dbraw/zinc/40/15/87/1429401587.db2.gz NPWVDNZUNYRMCJ-NTOSSWPYSA-N -1 0 327.775 3.406 20 30 EGEDRM O=C1c2ccccc2SCC1=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000823503541 1423290744 /nfs/dbraw/zinc/29/07/44/1423290744.db2.gz GRUNQBWTFCCKGO-GHXNOFRVSA-N -1 0 338.367 3.378 20 30 EGEDRM N#CCCCOC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737688825 1423496795 /nfs/dbraw/zinc/49/67/95/1423496795.db2.gz YKUPJDPDBRZQHG-UHFFFAOYSA-N -1 0 348.366 3.071 20 30 EGEDRM CC1=CCC[C@@H](C)[C@H]1CN=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000824852888 1424574957 /nfs/dbraw/zinc/57/49/57/1424574957.db2.gz SSNQZWXMKTZTDD-PWSUYJOCSA-N -1 0 331.811 3.305 20 30 EGEDRM CC(=NNc1ccc(F)cc1F)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823958336 1424838934 /nfs/dbraw/zinc/83/89/34/1424838934.db2.gz JXDSWZXTTHKPHE-UHFFFAOYSA-N -1 0 332.289 3.120 20 30 EGEDRM N#Cc1cc(F)ccc1CSCc1ccccc1-c1nn[n-]n1 ZINC000737703418 1425344434 /nfs/dbraw/zinc/34/44/34/1425344434.db2.gz BPPXZFFFMWXYNE-UHFFFAOYSA-N -1 0 325.372 3.311 20 30 EGEDRM N#Cc1ccc(F)c(CNc2nc3ccccc3cc2-c2nn[n-]n2)c1 ZINC000822829660 1425413433 /nfs/dbraw/zinc/41/34/33/1425413433.db2.gz CHQZNTMAEZGNSM-UHFFFAOYSA-N -1 0 345.341 3.038 20 30 EGEDRM C=C(C)CN(C)C(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000823873074 1426175400 /nfs/dbraw/zinc/17/54/00/1426175400.db2.gz HNASUEXBSXQQLT-UHFFFAOYSA-N -1 0 333.395 3.182 20 30 EGEDRM Cc1c(C(=O)C=Cc2c(C)cccc2C)c(-c2nn[n-]n2)c2n1CCC2 ZINC000826296911 1426588474 /nfs/dbraw/zinc/58/84/74/1426588474.db2.gz OGBAWXOGZCCVNL-MDZDMXLPSA-N -1 0 347.422 3.436 20 30 EGEDRM CCC[C@@H](C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736417720 1426599818 /nfs/dbraw/zinc/59/98/18/1426599818.db2.gz VFOQXVVSYGLOGD-MRXNPFEDSA-N -1 0 346.394 3.261 20 30 EGEDRM N#CCCSc1ccccc1NCc1cccc(-c2nn[n-]n2)c1 ZINC000822810058 1427987822 /nfs/dbraw/zinc/98/78/22/1427987822.db2.gz BDBQYHWGBLWFEI-UHFFFAOYSA-N -1 0 336.424 3.485 20 30 EGEDRM C#CC[C@H](Nc1snc(Cl)c1-c1nnn[n-]1)c1ccccc1 ZINC000823837851 1429791924 /nfs/dbraw/zinc/79/19/24/1429791924.db2.gz HMDXVIMROSVSOI-JTQLQIEISA-N -1 0 330.804 3.153 20 30 EGEDRM Clc1ccc(CNN=Cc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000826352014 1429862431 /nfs/dbraw/zinc/86/24/31/1429862431.db2.gz JVYDRMVYIOLPKF-UHFFFAOYSA-N -1 0 347.209 3.297 20 30 EGEDRM Cc1c(C(=O)C=Cc2cccc(C)c2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737392607 1430052140 /nfs/dbraw/zinc/05/21/40/1430052140.db2.gz ZZSGFIDKRABWDE-HJWRWDBZSA-N -1 0 333.395 3.127 20 30 EGEDRM O=C(C=Cc1ccn(-c2ccccc2)n1)c1ccc(-c2nn[n-]n2)s1 ZINC000826403091 1430130488 /nfs/dbraw/zinc/13/04/88/1430130488.db2.gz JPYUZHQXJDTNFM-VOTSOKGWSA-N -1 0 348.391 3.010 20 30 EGEDRM COc1ccc(C=C2Cc3ccc(C)cc3C2=O)cc1-c1nn[n-]n1 ZINC000737082626 1441557314 /nfs/dbraw/zinc/55/73/14/1441557314.db2.gz JTPAVEPOGZPHPY-ZSOIEALJSA-N -1 0 332.363 3.006 20 30 EGEDRM C=CCCCCCN(C)C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000735409333 1441560610 /nfs/dbraw/zinc/56/06/10/1441560610.db2.gz ZXSQVFIUGLDHNA-OUKQBFOZSA-N -1 0 325.416 3.085 20 30 EGEDRM O=C1c2ccc(F)cc2OCCC1=Cc1cc(-c2nn[n-]n2)cs1 ZINC000826475549 1442199758 /nfs/dbraw/zinc/19/97/58/1442199758.db2.gz JROFJBYCQBVTBL-UITAMQMPSA-N -1 0 342.355 3.116 20 30 EGEDRM Cc1cc(C=NNc2ccc(-c3nn[n-]n3)cc2)cc2cccnc12 ZINC000826266292 1442437625 /nfs/dbraw/zinc/43/76/25/1442437625.db2.gz JVPGOOCUZSKHJV-UHFFFAOYSA-N -1 0 329.367 3.169 20 30 EGEDRM N#Cc1ccc(Oc2snc(Cl)c2-c2nn[n-]n2)c(Cl)c1 ZINC000826385824 1443296733 /nfs/dbraw/zinc/29/67/33/1443296733.db2.gz CJZLGVQKSRBUFD-UHFFFAOYSA-N -1 0 339.167 3.294 20 30 EGEDRM C=CCC(CC=C)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000819734805 1443464184 /nfs/dbraw/zinc/46/41/84/1443464184.db2.gz UJHIQUDZACXPEQ-UHFFFAOYSA-N -1 0 339.443 3.372 20 30 EGEDRM CCCCCCCCNC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000825272278 1443474602 /nfs/dbraw/zinc/47/46/02/1443474602.db2.gz ZNRCBPPXFLUEQT-UHFFFAOYSA-N -1 0 329.448 3.276 20 30 EGEDRM C[C@H]1CCCC[C@H]1CN=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC000824935742 1443962409 /nfs/dbraw/zinc/96/24/09/1443962409.db2.gz CSUCELDUSKNWSQ-QWRGUYRKSA-N -1 0 331.424 3.376 20 30 EGEDRM Cc1cc(C)c(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)c(C)c1 ZINC000826263155 1444011080 /nfs/dbraw/zinc/01/10/80/1444011080.db2.gz NHWITGGODDUPMV-UHFFFAOYSA-N -1 0 341.806 3.286 20 30 EGEDRM C=CCCC[C@H](C)Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000823894562 1446112371 /nfs/dbraw/zinc/11/23/71/1446112371.db2.gz TWXCJKNCHQTVNQ-VIFPVBQESA-N -1 0 326.326 3.437 20 30 EGEDRM C=CCCO[C@@H](C)C(=O)Nc1cc(C(C)(C)C)sc1-c1nn[n-]n1 ZINC000823898773 1446158680 /nfs/dbraw/zinc/15/86/80/1446158680.db2.gz ANUULLZSPVVNJS-JTQLQIEISA-N -1 0 349.460 3.145 20 30 EGEDRM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC[C@@H]2CCC[C@H](C)C2)o1 ZINC000824280816 1446392182 /nfs/dbraw/zinc/39/21/82/1446392182.db2.gz VLEMLTQVJVLGBY-NWDGAFQWSA-N -1 0 331.424 3.277 20 30 EGEDRM Cc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc(C)c1O ZINC000826266644 1446787039 /nfs/dbraw/zinc/78/70/39/1446787039.db2.gz WRWBBGNLFGCFNY-ZZXKWVIFSA-N -1 0 338.342 3.224 20 30 EGEDRM N#Cc1cc(NC(=O)c2cccc3ccccc32)ccc1-c1nn[n-]n1 ZINC000737708361 1446809538 /nfs/dbraw/zinc/80/95/38/1446809538.db2.gz FGOKKUSLHBVVOL-UHFFFAOYSA-N -1 0 340.346 3.144 20 30 EGEDRM Cn1cc(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)c2ccccc21 ZINC000737604624 1447345121 /nfs/dbraw/zinc/34/51/21/1447345121.db2.gz ZLMQRZNVHQTHLZ-MDZDMXLPSA-N -1 0 329.363 3.255 20 30 EGEDRM C=C1CCC(C(=O)N[C@H](C(=O)[O-])c2ccc(OC)c(Cl)c2)CC1 ZINC000909795725 939734349 /nfs/dbraw/zinc/73/43/49/939734349.db2.gz KWAPVAMMJPQVDO-HNNXBMFYSA-N -1 0 337.803 3.337 20 30 EGEDRM C=CCOCCCC(=O)N[C@H](C(=O)[O-])c1cccc2ccccc21 ZINC000910937358 939761177 /nfs/dbraw/zinc/76/11/77/939761177.db2.gz SEPQUQNXWDZRIL-SFHVURJKSA-N -1 0 327.380 3.065 20 30 EGEDRM C=CCCO[C@@H](C)C(=O)N[C@@H](C(=O)[O-])c1cccc2ccccc21 ZINC000910939390 939762756 /nfs/dbraw/zinc/76/27/56/939762756.db2.gz ZDQKJQLGHZZYQV-SUMWQHHRSA-N -1 0 327.380 3.063 20 30 EGEDRM CC(C)Cc1nc(-c2nnn[n-]2)c(N=NC[C@H]2CCCC[C@H]2C)o1 ZINC000824280640 946644129 /nfs/dbraw/zinc/64/41/29/946644129.db2.gz RQEJOTFDMHRLFA-VXGBXAGGSA-N -1 0 331.424 3.277 20 30 EGEDRM N#CCSc1ccccc1C(=O)N[C@@H](CC1CCCCC1)C(=O)[O-] ZINC000326479922 971297161 /nfs/dbraw/zinc/29/71/61/971297161.db2.gz GDTUFWWEIQOMDC-HNNXBMFYSA-N -1 0 346.452 3.456 20 30 EGEDRM C=CC[C@H](Cc1ccccc1)NC(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC001602718105 971372037 /nfs/dbraw/zinc/37/20/37/971372037.db2.gz DPCYZDAVBRUCTQ-IAGOWNOFSA-N -1 0 332.444 3.220 20 30 EGEDRM C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@](CC)(C(=O)[O-])C1 ZINC001602718479 971375092 /nfs/dbraw/zinc/37/50/92/971375092.db2.gz NKWDXVKCIJBVNG-PXNSSMCTSA-N -1 0 344.455 3.460 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NCC1(c2ccc(F)cc2)CCCCC1 ZINC001602780755 971520808 /nfs/dbraw/zinc/52/08/08/971520808.db2.gz MVTUYKOYFAPPFX-SFHVURJKSA-N -1 0 346.402 3.148 20 30 EGEDRM CCCC[C@H](ON=C(C)C)C(=O)N1CCc2ccccc2[C@H]1C(=O)[O-] ZINC001589640047 949679730 /nfs/dbraw/zinc/67/97/30/949679730.db2.gz WDQLZNPHLBXMSV-IRXDYDNUSA-N -1 0 346.427 3.168 20 30 EGEDRM CC(C)(C)CC[C@@H](NC(=O)C(F)(F)c1ccccc1C#N)C(=O)[O-] ZINC001602859897 971712513 /nfs/dbraw/zinc/71/25/13/971712513.db2.gz QSZUCPJPJHMVLJ-CYBMUJFWSA-N -1 0 338.354 3.046 20 30 EGEDRM O=C([O-])COc1cccc(C(=O)N(O)CCCCc2ccccc2)c1 ZINC001595120228 951971412 /nfs/dbraw/zinc/97/14/12/951971412.db2.gz SQKQKQGJCWJJPX-UHFFFAOYSA-N -1 0 343.379 3.004 20 30 EGEDRM C=CC(C)(C)CNC(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000384981419 971971852 /nfs/dbraw/zinc/97/18/52/971971852.db2.gz QUTIZNZJDKBNRQ-UHFFFAOYSA-N -1 0 341.205 3.481 20 30 EGEDRM CC(C)[C@H](CNC(=O)[C@@](C)(C#N)CC(=O)[O-])c1ccc(Cl)cc1 ZINC001602978525 971995738 /nfs/dbraw/zinc/99/57/38/971995738.db2.gz YBUCPAWUDSELLR-WMLDXEAASA-N -1 0 336.819 3.200 20 30 EGEDRM N#Cc1c[nH]c2cc(C(=O)N[C@H]3C[C@@H](C(=O)[O-])c4ccccc43)ccc12 ZINC001594614375 956230153 /nfs/dbraw/zinc/23/01/53/956230153.db2.gz SZJVJXGMAYBNIA-AEFFLSMTSA-N -1 0 345.358 3.083 20 30 EGEDRM N#Cc1cc(NC(=O)c2cccc(OCC(=O)[O-])c2)ccc1C1CC1 ZINC001594615892 956236191 /nfs/dbraw/zinc/23/61/91/956236191.db2.gz IQDUUTLIZIHYMW-UHFFFAOYSA-N -1 0 336.347 3.151 20 30 EGEDRM N#Cc1csc(C(=O)N2C[C@@H](CCC(=O)[O-])Cc3ccccc32)c1 ZINC001594634121 956361455 /nfs/dbraw/zinc/36/14/55/956361455.db2.gz CSXUBMDYINICSK-LBPRGKRZSA-N -1 0 340.404 3.304 20 30 EGEDRM CCC(CC)(CNC(=O)C1(c2ccc(C#N)cc2)CCCC1)C(=O)[O-] ZINC000901693952 956419222 /nfs/dbraw/zinc/41/92/22/956419222.db2.gz XHVZNFGVDPUVQD-UHFFFAOYSA-N -1 0 342.439 3.377 20 30 EGEDRM CC(C)(C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21)c1ccc(C#N)cc1 ZINC000902014248 956604486 /nfs/dbraw/zinc/60/44/86/956604486.db2.gz CMPBPRSVYKENIF-QZTJIDSGSA-N -1 0 348.402 3.265 20 30 EGEDRM COc1cc([C@H](C)NC(=O)[C@](C)(C#N)CC(=O)[O-])cc2ccccc21 ZINC001594052567 958002821 /nfs/dbraw/zinc/00/28/21/958002821.db2.gz NSOGOSZLRHSDIK-BUXKBTBVSA-N -1 0 340.379 3.030 20 30 EGEDRM Cc1cc(F)c(C#N)cc1NC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001594310888 958015817 /nfs/dbraw/zinc/01/58/17/958015817.db2.gz RNNNFHIGHYGNNO-UHFFFAOYSA-N -1 0 327.315 3.026 20 30 EGEDRM C=C(C)[C@@H](NC(=O)Nc1cc(C(=O)[O-])ccn1)c1ccc(F)c(F)c1 ZINC001588441046 958334081 /nfs/dbraw/zinc/33/40/81/958334081.db2.gz DKJIOXRUMFKGEL-OAHLLOKOSA-N -1 0 347.321 3.497 20 30 EGEDRM C=C(C)[C@H](CC(=O)N1C[C@H](CCC(=O)[O-])Cc2ccccc21)OCC ZINC001588443128 958350532 /nfs/dbraw/zinc/35/05/32/958350532.db2.gz YFMFKFFJGROEQX-QAPCUYQASA-N -1 0 345.439 3.428 20 30 EGEDRM C=C(C)COc1cccc(NC(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C)c1 ZINC001588443531 958355634 /nfs/dbraw/zinc/35/56/34/958355634.db2.gz SNUNVQGHCJYZII-ZIAGYGMSSA-N -1 0 332.400 3.359 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)[C@@H](C)Sc1cc(Cl)ccc1Cl ZINC001573317857 958455938 /nfs/dbraw/zinc/45/59/38/958455938.db2.gz HAUDVAHZSZEKCJ-SECBINFHSA-N -1 0 346.235 3.020 20 30 EGEDRM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001573329909 958512822 /nfs/dbraw/zinc/51/28/22/958512822.db2.gz PSEUJLACUIAFBC-GFOFROLCSA-N -1 0 326.396 3.192 20 30 EGEDRM C=CCn1ncc2ccc(NC(=O)C3(C(=O)[O-])C(C)(C)C3(C)C)cc21 ZINC001588473991 958553500 /nfs/dbraw/zinc/55/35/00/958553500.db2.gz AIOFGQYPUFKGEF-UHFFFAOYSA-N -1 0 341.411 3.298 20 30 EGEDRM C=CCn1c(SCCCC(=O)[O-])nc2sc(C)c(C)c2c1=O ZINC001588474076 958554173 /nfs/dbraw/zinc/55/41/73/958554173.db2.gz CMNZZBPXNILGFZ-UHFFFAOYSA-N -1 0 338.454 3.218 20 30 EGEDRM C=CCn1ncc2ccc(NC(=O)Cc3ccccc3C(=O)[O-])cc21 ZINC001573378762 958659534 /nfs/dbraw/zinc/65/95/34/958659534.db2.gz KUNPJQVOKNLUAP-UHFFFAOYSA-N -1 0 335.363 3.102 20 30 EGEDRM C[C@H](NC(=O)c1ccc(C#N)c(Cl)c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001603239329 972378753 /nfs/dbraw/zinc/37/87/53/972378753.db2.gz DLTCAQNJYPRNGP-TVYUQYBPSA-N -1 0 334.803 3.077 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1nc2c(s1)c(Cl)ccc2F ZINC001588539986 958957203 /nfs/dbraw/zinc/95/72/03/958957203.db2.gz KACCNEQZEWRSBT-CYBMUJFWSA-N -1 0 341.751 3.032 20 30 EGEDRM CC(C)(C)[C@H](C(=O)[O-])C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 ZINC001588630951 959607531 /nfs/dbraw/zinc/60/75/31/959607531.db2.gz STHDPXZBFHGTDD-SKDRFNHKSA-N -1 0 334.372 3.359 20 30 EGEDRM CC[C@H](C(=O)[O-])N(C)C(=O)c1ccccc1Oc1ccccc1C#N ZINC001573767847 960630374 /nfs/dbraw/zinc/63/03/74/960630374.db2.gz FZZIMVVWJMFJPE-OAHLLOKOSA-N -1 0 338.363 3.286 20 30 EGEDRM N#Cc1cccc2[nH]cc(C(=O)N[C@H]3C[C@@H](C(=O)[O-])c4ccccc43)c21 ZINC001574489659 961706000 /nfs/dbraw/zinc/70/60/00/961706000.db2.gz MARSGZGIGZPIFL-PBHICJAKSA-N -1 0 345.358 3.083 20 30 EGEDRM N#Cc1cccc(C2(C(=O)N[C@H]3C[C@@H](C(=O)[O-])c4ccccc43)CC2)c1 ZINC001574490037 961708560 /nfs/dbraw/zinc/70/85/60/961708560.db2.gz SCQAQRCMHVIHDC-MSOLQXFVSA-N -1 0 346.386 3.019 20 30 EGEDRM C=CCOC[C@H](NC(=O)C[C@@H](C)c1ccc(C(C)C)cc1)C(=O)[O-] ZINC000263113179 962266374 /nfs/dbraw/zinc/26/63/74/962266374.db2.gz UVEQFDMOKQLRTB-PBHICJAKSA-N -1 0 333.428 3.076 20 30 EGEDRM C=C(C)C[C@H](NC(=O)[C@@H](C)Oc1ccc(C(C)C)c(C)c1)C(=O)[O-] ZINC001573320639 962750735 /nfs/dbraw/zinc/75/07/35/962750735.db2.gz DOYCYPKAASXIJN-PBHICJAKSA-N -1 0 333.428 3.421 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)CCCOc1ccc2c(c1)CCCC2)C(=O)[O-] ZINC001573320869 962753006 /nfs/dbraw/zinc/75/30/06/962753006.db2.gz FYBAZYUTTBNHTQ-GOSISDBHSA-N -1 0 345.439 3.260 20 30 EGEDRM C=CCOc1ccc(CC(=O)Nc2cccc(CC(=O)[O-])c2)cc1 ZINC001573337556 962865657 /nfs/dbraw/zinc/86/56/57/962865657.db2.gz REUYBMIUOKFUIQ-UHFFFAOYSA-N -1 0 325.364 3.060 20 30 EGEDRM C=C(Cl)C[C@H](NCc1ccc(C(=O)[O-])c(Cl)c1)C(=O)OCC ZINC001573339837 962897542 /nfs/dbraw/zinc/89/75/42/962897542.db2.gz YIFSIQDCLKMKPN-ZDUSSCGKSA-N -1 0 346.210 3.202 20 30 EGEDRM C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001573353516 963003901 /nfs/dbraw/zinc/00/39/01/963003901.db2.gz XSKALMDOICYJQN-OAFZBRQQSA-N -1 0 334.460 3.408 20 30 EGEDRM C#CCCCCC(=O)Nc1cc(C(=O)[O-])c(NC(C)=O)cc1Cl ZINC001588440868 964046965 /nfs/dbraw/zinc/04/69/65/964046965.db2.gz UZYMJITUUIFIJO-UHFFFAOYSA-N -1 0 336.775 3.129 20 30 EGEDRM CN1C(=O)CCc2cc(C(=O)/C=C/c3ccc(C(=O)[O-])cc3)ccc21 ZINC000754689803 969157536 /nfs/dbraw/zinc/15/75/36/969157536.db2.gz NDRAGNQFKVXXBL-ONNFQVAWSA-N -1 0 335.359 3.190 20 30 EGEDRM N#CCn1c(C(=O)NC2(CC(=O)[O-])CCCCC2)cc2ccccc21 ZINC000833069312 969211259 /nfs/dbraw/zinc/21/12/59/969211259.db2.gz REGSBTXKJKYYKM-UHFFFAOYSA-N -1 0 339.395 3.072 20 30 EGEDRM C#CC[C@@H](NC(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1ccccc1 ZINC001263062749 969694484 /nfs/dbraw/zinc/69/44/84/969694484.db2.gz CLOITABEJIACQF-NVXWUHKLSA-N -1 0 328.412 3.037 20 30 EGEDRM C=CC[C@@H]1CCCN(C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)C1 ZINC001353155945 969779427 /nfs/dbraw/zinc/77/94/27/969779427.db2.gz NWPMCEWALLNKLB-XOKHGSTOSA-N -1 0 328.412 3.297 20 30 EGEDRM CC[C@H](CNC(=O)Nc1ccccc1SC[C@H](C)C#N)C(=O)[O-] ZINC001603566013 973689246 /nfs/dbraw/zinc/68/92/46/973689246.db2.gz QMNZVABKAOUQLH-VXGBXAGGSA-N -1 0 335.429 3.171 20 30 EGEDRM N#Cc1c(F)cccc1-n1ccc(NCc2ccc(C(=O)[O-])s2)n1 ZINC001605590824 973886077 /nfs/dbraw/zinc/88/60/77/973886077.db2.gz NTQKSOWEVOMYEI-UHFFFAOYSA-N -1 0 342.355 3.255 20 30 EGEDRM N#Cc1ccc(C(=O)N2C[C@@H](CCC(=O)[O-])Cc3ccccc32)s1 ZINC001605597511 973900395 /nfs/dbraw/zinc/90/03/95/973900395.db2.gz WIASVSADDSHSLL-LBPRGKRZSA-N -1 0 340.404 3.304 20 30 EGEDRM N#Cc1ccc(NC2CC2)c(NC(=O)/C=C/c2ccc(C(=O)[O-])o2)c1 ZINC001605612407 973925172 /nfs/dbraw/zinc/92/51/72/973925172.db2.gz KRUBOAQBHDFCEZ-VMPITWQZSA-N -1 0 337.335 3.076 20 30 EGEDRM CC(C)Oc1c(NC(=O)N2CCC[C@@](C)(C#N)C2)cccc1C(=O)[O-] ZINC001591744848 975774404 /nfs/dbraw/zinc/77/44/04/975774404.db2.gz VMGLFGYOTAQKRF-SFHVURJKSA-N -1 0 345.399 3.330 20 30 EGEDRM N#Cc1ccc(NC[C@H](CC(=O)[O-])C2CC2)c(F)c1Br ZINC000690425196 976292720 /nfs/dbraw/zinc/29/27/20/976292720.db2.gz SEYCRYLQUXWWLZ-JTQLQIEISA-N -1 0 341.180 3.373 20 30 EGEDRM C[C@H](CC#Cc1cccnc1)OC(=O)[C@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC001592211147 977258650 /nfs/dbraw/zinc/25/86/50/977258650.db2.gz JCTYJOSYNUZEOE-FQELHTAISA-N -1 0 349.386 3.013 20 30 EGEDRM C[C@H](CC#N)n1nc(C(=O)[O-])cc1-c1ccccc1Br ZINC001592225532 977409435 /nfs/dbraw/zinc/40/94/35/977409435.db2.gz AFPRQTCOASVZLM-SECBINFHSA-N -1 0 334.173 3.485 20 30 EGEDRM C[C@H]1CN(c2cc(Br)c(C#N)cc2F)C[C@]1(C)C(=O)[O-] ZINC000710224365 977495246 /nfs/dbraw/zinc/49/52/46/977495246.db2.gz WVDQVJAFLWDBAS-RTHLEPHNSA-N -1 0 341.180 3.007 20 30 EGEDRM C[C@H](CC1(C#N)CCOCC1)Nc1ccc2c(c1)[nH]cc2C(=O)[O-] ZINC001592459171 978176923 /nfs/dbraw/zinc/17/69/23/978176923.db2.gz JVEXHWKDSCRYQI-GFCCVEGCSA-N -1 0 327.384 3.377 20 30 EGEDRM C[C@@H](CN(Cc1ccccc1)c1nc2ncccc2cc1C#N)C(=O)[O-] ZINC001592609771 978557905 /nfs/dbraw/zinc/55/79/05/978557905.db2.gz MTOMHHQSBCMGIB-AWEZNQCLSA-N -1 0 346.390 3.229 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1N=NCc1ccc(-n2ccnc2)cc1 ZINC000756901280 978701613 /nfs/dbraw/zinc/70/16/13/978701613.db2.gz NJMRNQHPUBOKGO-UHFFFAOYSA-N -1 0 336.351 3.025 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1N=NCc1ccc(-n2cccn2)cc1 ZINC000756901491 978701651 /nfs/dbraw/zinc/70/16/51/978701651.db2.gz RYBCSAMDJNGXNB-UHFFFAOYSA-N -1 0 336.351 3.025 20 30 EGEDRM COc1ccc(C[C@@H](C)CN=Nc2ccc(C(=O)[O-])cn2)cc1F ZINC000758129267 978703861 /nfs/dbraw/zinc/70/38/61/978703861.db2.gz ORSLKMYYHGHLLU-LLVKDONJSA-N -1 0 331.347 3.204 20 30 EGEDRM O=C([O-])c1ccc(N=NCc2cccc(OCc3ccccn3)c2)nc1 ZINC000763368909 978721441 /nfs/dbraw/zinc/72/14/41/978721441.db2.gz CBLLVBRIDVZSQL-UHFFFAOYSA-N -1 0 348.362 3.200 20 30 EGEDRM O=C([O-])Cn1cc(CN=Nc2nncc3ccccc32)c2ccccc21 ZINC000799866434 978841560 /nfs/dbraw/zinc/84/15/60/978841560.db2.gz GUTJECOLADJPBN-UHFFFAOYSA-N -1 0 345.362 3.115 20 30 EGEDRM COc1cc(F)cc(NN=Cc2cn(CC(=O)[O-])c3ccccc23)c1 ZINC000799881733 978844541 /nfs/dbraw/zinc/84/45/41/978844541.db2.gz WVJCWNSHFHGHAW-UHFFFAOYSA-N -1 0 341.342 3.320 20 30 EGEDRM O=C([O-])COc1ccc(/C=C2\Oc3cccc(Cl)c3C2=O)cc1 ZINC000811697774 978855165 /nfs/dbraw/zinc/85/51/65/978855165.db2.gz GAVOMNYPLDVDSC-ZSOIEALJSA-N -1 0 330.723 3.420 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1[N-][NH+]=C(C)c1ccc(Cl)c(N)c1 ZINC000814887456 978895899 /nfs/dbraw/zinc/89/58/99/978895899.db2.gz REEXOZFMENSJKN-UHFFFAOYSA-N -1 0 333.775 3.465 20 30 EGEDRM C[C@@H](Oc1ccc(C=NN[C@@H]2CCc3c2cccc3F)cc1)C(=O)[O-] ZINC000835022346 979245567 /nfs/dbraw/zinc/24/55/67/979245567.db2.gz ZSSZKACQVPXWGO-KZULUSFZSA-N -1 0 342.370 3.289 20 30 EGEDRM COc1cc2c(c(C=NNc3ccc(CC(=O)[O-])cc3)c1)O[C@H](C)C2 ZINC000848415893 979467996 /nfs/dbraw/zinc/46/79/96/979467996.db2.gz RMHXMYRWQHCUHT-GFCCVEGCSA-N -1 0 340.379 3.092 20 30 EGEDRM C[C@](Cc1ccc(Cl)cc1)(NC(=O)c1ccc(C#N)cc1)C(=O)[O-] ZINC001592840936 979610830 /nfs/dbraw/zinc/61/08/30/979610830.db2.gz VEJIMMWHZYCVLW-GOSISDBHSA-N -1 0 342.782 3.027 20 30 EGEDRM C=CCC[C@@H](NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)c1ccccc1 ZINC000872740497 980134186 /nfs/dbraw/zinc/13/41/86/980134186.db2.gz XBNRJYJEJLWGTA-GVDBMIGSSA-N -1 0 331.412 3.223 20 30 EGEDRM CC[C@@H](NC(=O)N1CCC(C#N)(C(=O)[O-])CC1)c1cccc(Cl)c1 ZINC001595246686 980185804 /nfs/dbraw/zinc/18/58/04/980185804.db2.gz CYCGYINGSNYEMJ-CQSZACIVSA-N -1 0 349.818 3.191 20 30 EGEDRM C=C(C)C(C)(C)C(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000909135884 981425415 /nfs/dbraw/zinc/42/54/15/981425415.db2.gz FUXWOXIHVZWFCI-UHFFFAOYSA-N -1 0 326.396 3.353 20 30 EGEDRM C=C[C@](C)(CC)C(=O)NC[C@@H](Cc1ccc(OCC)cc1)C(=O)[O-] ZINC000909169279 981430515 /nfs/dbraw/zinc/43/05/15/981430515.db2.gz CCNYOUTYXXYKGW-DNVCBOLYSA-N -1 0 333.428 3.047 20 30 EGEDRM C=C(C)[C@H](CC(=O)N[C@](C)(CC(=O)[O-])c1cccc(F)c1)OCC ZINC000909682407 981570234 /nfs/dbraw/zinc/57/02/34/981570234.db2.gz ONQIOPFUUZLWMC-MAUKXSAKSA-N -1 0 337.391 3.003 20 30 EGEDRM CCCC[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)C(=O)[O-] ZINC001595644825 981981754 /nfs/dbraw/zinc/98/17/54/981981754.db2.gz DCHZNISODUPQAS-INIZCTEOSA-N -1 0 343.427 3.325 20 30 EGEDRM CCCC[C@H](ON=C(C)C)C(=O)Nc1cccc(C(=O)[O-])c1OC ZINC001595651397 982021374 /nfs/dbraw/zinc/02/13/74/982021374.db2.gz FYLKELXJZQIPFY-AWEZNQCLSA-N -1 0 336.388 3.303 20 30 EGEDRM CCCC[C@H](ON=C(C)C)C(=O)N[C@](CC)(C(=O)[O-])c1ccccc1 ZINC001595651781 982025943 /nfs/dbraw/zinc/02/59/43/982025943.db2.gz KIWSBRBTCCKXCM-LPHOPBHVSA-N -1 0 348.443 3.464 20 30 EGEDRM C=CCCC[C@@H](NC(=O)[C@@H](C)c1cn(C)c2ccccc12)C(=O)[O-] ZINC000910917769 982164081 /nfs/dbraw/zinc/16/40/81/982164081.db2.gz VIKXGRGNEJKUJM-XJKSGUPXSA-N -1 0 328.412 3.208 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1oc2ccc(OC)cc2c1C)C(=O)[O-] ZINC000910918737 982164413 /nfs/dbraw/zinc/16/44/13/982164413.db2.gz OTOMZJPMCBGCDY-CQSZACIVSA-N -1 0 331.368 3.289 20 30 EGEDRM CCCCC[C@@H](Nc1cc(C#N)c(Br)cn1)C(=O)[O-] ZINC001595688033 982181973 /nfs/dbraw/zinc/18/19/73/982181973.db2.gz VTOICYVANXQLIM-LLVKDONJSA-N -1 0 326.194 3.161 20 30 EGEDRM CC[C@@H](C)[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)C(=O)[O-] ZINC001594921816 982471902 /nfs/dbraw/zinc/47/19/02/982471902.db2.gz ULMOMTWCULLAFA-FZKQIMNGSA-N -1 0 343.427 3.181 20 30 EGEDRM CCCN(C(=O)c1sc2ccc(C#N)cc2c1C)[C@H](C)C(=O)[O-] ZINC001595830748 982719255 /nfs/dbraw/zinc/71/92/55/982719255.db2.gz DLGVWJGAXROMNH-LLVKDONJSA-N -1 0 330.409 3.407 20 30 EGEDRM N#CC1(C(=O)N2CCC(c3ncc(C(=O)[O-])s3)CC2)CCCCC1 ZINC000923098721 982723246 /nfs/dbraw/zinc/72/32/46/982723246.db2.gz OMCGPRUSPAQULM-UHFFFAOYSA-N -1 0 347.440 3.021 20 30 EGEDRM C#Cc1ccc(NC(=O)NC[C@H](C(=O)[O-])c2ccccc2)c(Cl)c1 ZINC001573463848 983042198 /nfs/dbraw/zinc/04/21/98/983042198.db2.gz IGYRZWPWAGFQLY-AWEZNQCLSA-N -1 0 342.782 3.311 20 30 EGEDRM C#C[C@H](NC(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1)c1ccccc1 ZINC001588374115 983341716 /nfs/dbraw/zinc/34/17/16/983341716.db2.gz OTQWDSIFGZZANE-KDOFPFPSSA-N -1 0 336.391 3.446 20 30 EGEDRM C#C[C@@H](NC(=O)Nc1ccc(F)c(C(=O)[O-])c1C)c1ccc(F)cc1 ZINC001588374333 983343159 /nfs/dbraw/zinc/34/31/59/983343159.db2.gz UNXWQQJIOUKGEF-CQSZACIVSA-N -1 0 344.317 3.467 20 30 EGEDRM C#C[C@H](N[C@H](Cc1ccc(Cl)cc1)C(=O)[O-])c1ccc(F)cc1 ZINC001588376146 983350159 /nfs/dbraw/zinc/35/01/59/983350159.db2.gz BPSUFQJDTISNCJ-DLBZAZTESA-N -1 0 331.774 3.439 20 30 EGEDRM C#CC1(NC(=O)Nc2cccc(SCCC(=O)[O-])c2)CCCC1 ZINC001588379888 983366091 /nfs/dbraw/zinc/36/60/91/983366091.db2.gz UYHBFVWCJPHBOS-UHFFFAOYSA-N -1 0 332.425 3.321 20 30 EGEDRM C#CCC1(NC(=O)Cn2cc(C(=O)[O-])c3ccccc32)CCCCC1 ZINC001588427633 983457107 /nfs/dbraw/zinc/45/71/07/983457107.db2.gz GTXFEMAZBHMMRV-UHFFFAOYSA-N -1 0 338.407 3.182 20 30 EGEDRM C#CCN(Cc1ccccc1)C(=O)Nc1scc(C)c1C(=O)[O-] ZINC001588469293 983501423 /nfs/dbraw/zinc/50/14/23/983501423.db2.gz BUMQGJSVBZQHHI-UHFFFAOYSA-N -1 0 328.393 3.422 20 30 EGEDRM C#CCOc1ccc(COC(=O)CCc2ccc(C(=O)[O-])cc2)cc1 ZINC001588497542 983539649 /nfs/dbraw/zinc/53/96/49/983539649.db2.gz MJOYSAHRWGZZCU-UHFFFAOYSA-N -1 0 338.359 3.073 20 30 EGEDRM C#Cc1cccc(NC(=O)N[C@@H](C)[C@@H](Cc2ccccc2)C(=O)[O-])c1 ZINC001588524654 983575792 /nfs/dbraw/zinc/57/57/92/983575792.db2.gz PJMBXYJVMJTHCV-KBXCAEBGSA-N -1 0 336.391 3.121 20 30 EGEDRM C=C(C)C[C@H](NC(=O)c1ccc(Br)c(F)c1C)C(=O)[O-] ZINC001588547082 983618244 /nfs/dbraw/zinc/61/82/44/983618244.db2.gz SVDSMIAIMHTWNO-NSHDSACASA-N -1 0 344.180 3.046 20 30 EGEDRM C=C(C)C[C@@H](Nc1ncnc2ccc(Br)cc21)C(=O)[O-] ZINC001588554433 983630697 /nfs/dbraw/zinc/63/06/97/983630697.db2.gz HCBSHEVEPROUHE-GFCCVEGCSA-N -1 0 336.189 3.224 20 30 EGEDRM C=C(C)C[C@H](Nc1cc(Br)c(C#N)cc1F)C(=O)[O-] ZINC001588555571 983636038 /nfs/dbraw/zinc/63/60/38/983636038.db2.gz MKGJWCAFAYVFQH-LBPRGKRZSA-N -1 0 327.153 3.291 20 30 EGEDRM C=C(C)Cn1c(-c2ccsc2)nnc1N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001588578286 983657212 /nfs/dbraw/zinc/65/72/12/983657212.db2.gz BDUOTTAGIAAIOE-GXTWGEPZSA-N -1 0 346.456 3.130 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N1CCc2ccc(C(F)(F)F)cc2C1 ZINC001588619153 983715007 /nfs/dbraw/zinc/71/50/07/983715007.db2.gz MDHHVVFFRLIBGE-UHFFFAOYSA-N -1 0 327.302 3.011 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F ZINC001588622344 983723180 /nfs/dbraw/zinc/72/31/80/983723180.db2.gz WDEXEFUSILMMJF-GFCCVEGCSA-N -1 0 337.244 3.105 20 30 EGEDRM C=C[C@H](C(=O)N(C)Cc1ccc(OCC(=O)[O-])cc1)c1ccccc1 ZINC001588660781 983785073 /nfs/dbraw/zinc/78/50/73/983785073.db2.gz AANRNIHDZQXQLR-SFHVURJKSA-N -1 0 339.391 3.078 20 30 EGEDRM C=C[C@H](C(=O)[O-])N1CC[C@H](CNC(=O)OC(C)(C)C)c2ccccc21 ZINC001588662677 983790884 /nfs/dbraw/zinc/79/08/84/983790884.db2.gz FHZXUMMTAZHPIA-UKRRQHHQSA-N -1 0 346.427 3.144 20 30 EGEDRM C=CC(C)(C)CNC(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])c(C)s1 ZINC001588676811 983831409 /nfs/dbraw/zinc/83/14/09/983831409.db2.gz CKUIYYOSFXPJTG-LLVKDONJSA-N -1 0 337.445 3.208 20 30 EGEDRM C=CC(C)(C)CCNS(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1C ZINC001588677157 983833699 /nfs/dbraw/zinc/83/36/99/983833699.db2.gz UZRRMGFPWDVVTA-UHFFFAOYSA-N -1 0 345.848 3.227 20 30 EGEDRM C=C[C@](C)(CC)C(=O)N[C@@H](CC(=O)[O-])Cc1cc(F)c(F)cc1F ZINC001588681284 983840229 /nfs/dbraw/zinc/84/02/29/983840229.db2.gz VFIPFQKNOORVDG-PIGZYNQJSA-N -1 0 343.345 3.208 20 30 EGEDRM C=C[C@@H](C)OC(=O)c1ccc(-n2nc(C)c(CCC(=O)[O-])c2C)cc1 ZINC001588687846 983872703 /nfs/dbraw/zinc/87/27/03/983872703.db2.gz UASUNOSKIWCGIX-GFCCVEGCSA-N -1 0 342.395 3.238 20 30 EGEDRM C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC(CC(=O)[O-])CC1 ZINC001588744344 984041989 /nfs/dbraw/zinc/04/19/89/984041989.db2.gz JXAWMXDYJLUHDK-QGZVFWFLSA-N -1 0 330.428 3.070 20 30 EGEDRM C=CC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC001588771692 984140836 /nfs/dbraw/zinc/14/08/36/984140836.db2.gz XXRVMSGNXCPSTN-ZIAGYGMSSA-N -1 0 337.441 3.106 20 30 EGEDRM C=CCC[C@@H](C(=O)N[C@@H](Cc1cncs1)C(=O)[O-])c1ccccc1 ZINC001588776794 984153511 /nfs/dbraw/zinc/15/35/11/984153511.db2.gz GXZRKXVLHZRSQB-CVEARBPZSA-N -1 0 344.436 3.005 20 30 EGEDRM C=CCCC[C@H](NC(=O)[C@H](CC)O[C@H]1CCC[C@H](C)C1)C(=O)[O-] ZINC001588784971 984178894 /nfs/dbraw/zinc/17/88/94/984178894.db2.gz DPCDODKQJXUMBO-VGWMRTNUSA-N -1 0 325.449 3.286 20 30 EGEDRM CCNc1ccc(C#N)cc1NC(=O)CCc1ccccc1C(=O)[O-] ZINC001596501179 984253119 /nfs/dbraw/zinc/25/31/19/984253119.db2.gz HHAVFKRZIYQPDS-UHFFFAOYSA-N -1 0 337.379 3.260 20 30 EGEDRM C=CCCN(OCc1ccccc1)C(=O)c1cccc(CC(=O)[O-])c1 ZINC001588807341 984259428 /nfs/dbraw/zinc/25/94/28/984259428.db2.gz JULUURFOMOSQFB-UHFFFAOYSA-N -1 0 339.391 3.464 20 30 EGEDRM C=CCN(Cc1ccccc1)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC001588832854 984326917 /nfs/dbraw/zinc/32/69/17/984326917.db2.gz UANMALPZYYMMHN-UHFFFAOYSA-N -1 0 340.379 3.370 20 30 EGEDRM C=CCN1CC[C@@H](Sc2cc3ccccc3cc2C(=O)[O-])C1=O ZINC001588839208 984345026 /nfs/dbraw/zinc/34/50/26/984345026.db2.gz OTHLFXSXAPGPAE-OAHLLOKOSA-N -1 0 327.405 3.417 20 30 EGEDRM C=CCNc1ncc(C(=O)N2CCCc3ccc(C(=O)[O-])cc32)s1 ZINC001588849492 984372232 /nfs/dbraw/zinc/37/22/32/984372232.db2.gz UNYVFYDMWCCVMN-UHFFFAOYSA-N -1 0 343.408 3.032 20 30 EGEDRM C=CC[S@](=O)(=NC(=O)c1[nH]c(C)c(C(=O)[O-])c1C)c1ccccc1 ZINC001588879191 984456668 /nfs/dbraw/zinc/45/66/68/984456668.db2.gz VHOSCGAUVBJLAR-XMMPIXPASA-N -1 0 346.408 3.183 20 30 EGEDRM C=CCSc1ccccc1C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC001588879765 984459083 /nfs/dbraw/zinc/45/90/83/984459083.db2.gz NTPFTAIGXSUPMI-UHFFFAOYSA-N -1 0 345.424 3.233 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC001588881619 984460524 /nfs/dbraw/zinc/46/05/24/984460524.db2.gz COBOQWKYBSMTNC-NILFDRSVSA-N -1 0 330.380 3.464 20 30 EGEDRM C=CCn1c(C)cc(C(=O)COC(=O)c2ccc(C(=O)[O-])s2)c1C ZINC001588897693 984512332 /nfs/dbraw/zinc/51/23/32/984512332.db2.gz TWODLVDUOPJKFU-UHFFFAOYSA-N -1 0 347.392 3.090 20 30 EGEDRM C=C[C@@H]1OCC[C@H]1C(=O)O[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC001588916630 984562454 /nfs/dbraw/zinc/56/24/54/984562454.db2.gz WBZOVMSROJZUBI-FRRDWIJNSA-N -1 0 345.178 3.253 20 30 EGEDRM CC(N=Nc1ccc(F)c(F)c1F)c1ccccc1OCC(=O)[O-] ZINC001589016302 984994299 /nfs/dbraw/zinc/99/42/99/984994299.db2.gz CXLJIDBFNFBQPZ-UHFFFAOYSA-N -1 0 338.285 3.403 20 30 EGEDRM CC(=NNC[C@@H]1CCSC1)c1cnc2sc(C(=O)[O-])c(C)c2c1 ZINC001589016906 984999714 /nfs/dbraw/zinc/99/97/14/984999714.db2.gz OCPOODLKZMYNHG-NSHDSACASA-N -1 0 349.481 3.370 20 30 EGEDRM CCO[C@@H]1C[C@H]1C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC001596847556 985559794 /nfs/dbraw/zinc/55/97/94/985559794.db2.gz WQAJPYQFTQOXJZ-RTBURBONSA-N -1 0 349.386 3.148 20 30 EGEDRM Cc1c(C#N)cccc1NC(=O)c1cc(C(=O)[O-])nn1-c1ccccc1 ZINC001599974741 986070778 /nfs/dbraw/zinc/07/07/78/986070778.db2.gz HKZOSLXMLDYZDT-UHFFFAOYSA-N -1 0 346.346 3.003 20 30 EGEDRM CCOc1cc(C(=O)[O-])ccc1NC(=O)NCC1(C#N)CCCCC1 ZINC001597022752 986424551 /nfs/dbraw/zinc/42/45/51/986424551.db2.gz ZXEAJINOULITJY-UHFFFAOYSA-N -1 0 345.399 3.379 20 30 EGEDRM CCOc1ccc(C(=O)/C=C\c2cc(C(=O)[O-])co2)cc1[N+](=O)[O-] ZINC001597055845 986535819 /nfs/dbraw/zinc/53/58/19/986535819.db2.gz LZAWPCLDZDZNOE-PLNGDYQASA-N -1 0 331.280 3.181 20 30 EGEDRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)C2(c3ccc(C#N)cc3)CC2)cc1 ZINC001589504569 987115502 /nfs/dbraw/zinc/11/55/02/987115502.db2.gz RWSAULHRBVRPJB-CYBMUJFWSA-N -1 0 334.375 3.417 20 30 EGEDRM CC(C)(C#N)CC(=O)O[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001589554057 987296630 /nfs/dbraw/zinc/29/66/30/987296630.db2.gz TXVNJXLHCUUVNF-LBPRGKRZSA-N -1 0 329.274 3.471 20 30 EGEDRM CC(C)(C#N)c1ccc(C(=O)NC[C@H](CC2CCCC2)C(=O)[O-])cc1 ZINC001589558159 987309224 /nfs/dbraw/zinc/30/92/24/987309224.db2.gz NCAREJRWSBQWII-INIZCTEOSA-N -1 0 342.439 3.499 20 30 EGEDRM CCc1[nH]c(C(=O)N2CCCc3cc(C#N)ccc32)c(C)c1C(=O)[O-] ZINC001597361940 987524334 /nfs/dbraw/zinc/52/43/34/987524334.db2.gz XFTBSNGJQIPIGP-UHFFFAOYSA-N -1 0 337.379 3.048 20 30 EGEDRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)Nc1ccc(C2CC2)c(C#N)c1 ZINC001589702347 987798212 /nfs/dbraw/zinc/79/82/12/987798212.db2.gz CXMNAIPQXIKUJP-OAHLLOKOSA-N -1 0 329.400 3.447 20 30 EGEDRM CC(C)(C)c1ccc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)nc1 ZINC001590481767 990077030 /nfs/dbraw/zinc/07/70/30/990077030.db2.gz SLLOOCRQYBXXDY-MRXNPFEDSA-N -1 0 338.363 3.233 20 30 EGEDRM CC(C)(Cc1ccc(C#N)cc1)NC(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001590820577 990656800 /nfs/dbraw/zinc/65/68/00/990656800.db2.gz VPIOWDQVCLARQV-NTMALXAHSA-N -1 0 338.363 3.000 20 30 EGEDRM CN(Cc1cccc(C(=O)[O-])c1C#N)C[C@@H]1OCCc2ccccc21 ZINC001598527299 992735817 /nfs/dbraw/zinc/73/58/17/992735817.db2.gz MXJZCMXBPMMXRR-IBGZPJMESA-N -1 0 336.391 3.002 20 30 EGEDRM C[C@@H](Nc1ccc(C#N)cc1[N+](=O)[O-])c1ccc(OCC(=O)[O-])cc1 ZINC001593359362 995015485 /nfs/dbraw/zinc/01/54/85/995015485.db2.gz COXFLGMWRWPAKY-LLVKDONJSA-N -1 0 341.323 3.103 20 30 EGEDRM C[C@H](Nc1ccc(C(=O)[O-])nc1C#N)c1cc(F)ccc1N(C)C ZINC001593362443 995031775 /nfs/dbraw/zinc/03/17/75/995031775.db2.gz HSSBRUNGGJBCQI-JTQLQIEISA-N -1 0 328.347 3.030 20 30 EGEDRM CC(C)n1cc(C(=O)/C=C\c2ccccc2O[C@@H](C)C(=O)[O-])cn1 ZINC001593645650 995976501 /nfs/dbraw/zinc/97/65/01/995976501.db2.gz SRJYBPQFLCWNNY-YXVBKTCISA-N -1 0 328.368 3.212 20 30 EGEDRM C[C@H](Sc1ccccc1C(=O)NCC1(C#N)CCCC1)C(=O)[O-] ZINC001593672561 996077192 /nfs/dbraw/zinc/07/71/92/996077192.db2.gz FIQGHOFCGLCQSU-LBPRGKRZSA-N -1 0 332.425 3.066 20 30 EGEDRM COc1ccc(/C=C/C(=O)[O-])cc1OC(=O)c1ccc(C#N)cc1C ZINC001599547803 997954028 /nfs/dbraw/zinc/95/40/28/997954028.db2.gz YJNQRRQIZGWJMB-VMPITWQZSA-N -1 0 337.331 3.192 20 30 EGEDRM COc1cc(OC(=O)c2cccc(SCC#N)c2)ccc1C(=O)[O-] ZINC001599447126 998026946 /nfs/dbraw/zinc/02/69/46/998026946.db2.gz DKDAOMHZGQYWKA-UHFFFAOYSA-N -1 0 343.360 3.228 20 30 EGEDRM COc1cc(OC)c(/C=C\C(=O)c2cc(C(=O)[O-])cs2)c(OC)c1 ZINC001599447288 998029326 /nfs/dbraw/zinc/02/93/26/998029326.db2.gz MNKNPSYRZBCGNN-PLNGDYQASA-N -1 0 348.376 3.368 20 30 EGEDRM CC1=C(C(=O)[O-])[C@H](c2ccc(C#N)cc2)NC(=O)N1Cc1ccccc1 ZINC001594095450 998067169 /nfs/dbraw/zinc/06/71/69/998067169.db2.gz PRRFLDOWZRGAKY-SFHVURJKSA-N -1 0 347.374 3.183 20 30 EGEDRM C[C@@H]1CCN(C(=O)C2(c3ccc(C#N)cc3)CCCC2)[C@H](C(=O)[O-])C1 ZINC001594395619 999490253 /nfs/dbraw/zinc/49/02/53/999490253.db2.gz RHBCWBUPCIZOPX-PBHICJAKSA-N -1 0 340.423 3.082 20 30 EGEDRM Cc1c([N-]S(=O)(=O)c2ccc(C#N)o2)noc1-c1ccccc1F ZINC000377536826 169037794 /nfs/dbraw/zinc/03/77/94/169037794.db2.gz XIQXAQNGSAPNGI-UHFFFAOYSA-N -1 0 347.327 3.055 20 30 EGEDRM O=C([N-]S(=O)(=O)CCC(F)(F)F)[C@@H]1C[C@]12CCc1ccccc12 ZINC000328595616 258043185 /nfs/dbraw/zinc/04/31/85/258043185.db2.gz ZGDWXOCIZPHQKD-JSGCOSHPSA-N -1 0 347.358 3.129 20 30 EGEDRM C[C@@H](C(=O)Nc1nc(C#N)c(C#N)[n-]1)c1ccc(Cl)c(Cl)c1 ZINC000350824977 141267965 /nfs/dbraw/zinc/26/79/65/141267965.db2.gz GLVWOXZAKJLHSF-SSDOTTSWSA-N -1 0 334.166 3.202 20 30 EGEDRM Cc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)n1 ZINC000337140181 163142629 /nfs/dbraw/zinc/14/26/29/163142629.db2.gz QTRLGZBOVBUFAG-UHFFFAOYSA-N -1 0 341.314 3.081 20 30 EGEDRM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000350974306 165087674 /nfs/dbraw/zinc/08/76/74/165087674.db2.gz YTSNSOICCJLALQ-UHFFFAOYSA-N -1 0 339.779 3.193 20 30 EGEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1occc1COc1ccccc1 ZINC000359721806 167213755 /nfs/dbraw/zinc/21/37/55/167213755.db2.gz YWOMNODJTALDGF-UHFFFAOYSA-N -1 0 348.362 3.005 20 30 EGEDRM CC(=Cc1ccc(Br)s1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000435335662 270051075 /nfs/dbraw/zinc/05/10/75/270051075.db2.gz KDWPGRLIOYMALX-ALCCZGGFSA-N -1 0 336.214 3.335 20 30 EGEDRM N#Cc1cc(NC(=O)c2ccc(Br)c([O-])c2)ccc1F ZINC000133041594 268011839 /nfs/dbraw/zinc/01/18/39/268011839.db2.gz APGWHHLVPVPWBY-UHFFFAOYSA-N -1 0 335.132 3.418 20 30 EGEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)nn1C(C)C ZINC000421179426 268012143 /nfs/dbraw/zinc/01/21/43/268012143.db2.gz CSCBQSKYOYWYID-UHFFFAOYSA-N -1 0 338.820 3.098 20 30 EGEDRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)C=Cc1ccc(C#N)cc1 ZINC000493761497 268022697 /nfs/dbraw/zinc/02/26/97/268022697.db2.gz WLCXDBSVSYQKBI-CLFYSBASSA-N -1 0 345.362 3.009 20 30 EGEDRM Cc1cccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2)c1C#N ZINC000441319502 268056705 /nfs/dbraw/zinc/05/67/05/268056705.db2.gz WSKYGQNPRJVVFP-UHFFFAOYSA-N -1 0 330.409 3.455 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)Nc2cccc(CC(F)(F)F)c2)cc1 ZINC000174759632 268208264 /nfs/dbraw/zinc/20/82/64/268208264.db2.gz PYKFLQNIFXEIMW-UHFFFAOYSA-N -1 0 340.326 3.464 20 30 EGEDRM Cc1cc(Cl)c2ncc(C#N)c(N3CC[C@](C)(C(=O)[O-])C3)c2c1 ZINC000263398338 301285531 /nfs/dbraw/zinc/28/55/31/301285531.db2.gz IEYMHCICDKJPTN-KRWDZBQOSA-N -1 0 329.787 3.369 20 30 EGEDRM N#Cc1cc(F)c(C(=O)[N-]c2nnc(-c3ccccn3)s2)c(F)c1 ZINC000125202171 307554365 /nfs/dbraw/zinc/55/43/65/307554365.db2.gz QVXGVYOEEUODHS-UHFFFAOYSA-N -1 0 343.318 3.002 20 30 EGEDRM CC[C@]1(C)Oc2ccc([N-]S(=O)(=O)c3ccccc3C#N)cc2O1 ZINC000135570977 307704684 /nfs/dbraw/zinc/70/46/84/307704684.db2.gz FRYRXJZQDHTRCO-QGZVFWFLSA-N -1 0 344.392 3.256 20 30 EGEDRM CCN(C(=O)c1cccc([N+](=O)[O-])c1[O-])[C@@H](C)c1ccc(C#N)cc1 ZINC000154584827 307796669 /nfs/dbraw/zinc/79/66/69/307796669.db2.gz OXIMSXCXVSFNOC-LBPRGKRZSA-N -1 0 339.351 3.395 20 30 EGEDRM Cc1cccc(F)c1S(=O)(=O)[N-]c1cc(C#N)c2ccccc2n1 ZINC000508124173 312088998 /nfs/dbraw/zinc/08/89/98/312088998.db2.gz CTPYQJXIHGHUJE-UHFFFAOYSA-N -1 0 341.367 3.355 20 30 EGEDRM Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)c1C#N ZINC000538365033 314242215 /nfs/dbraw/zinc/24/22/15/314242215.db2.gz SQZGLHXTAWACPC-UHFFFAOYSA-N -1 0 342.420 3.381 20 30 EGEDRM N#Cc1c(F)cc(CNC(=O)c2cc(F)cc(Cl)c2[O-])cc1F ZINC000550245298 315121163 /nfs/dbraw/zinc/12/11/63/315121163.db2.gz XLUAODRDTFFVSZ-UHFFFAOYSA-N -1 0 340.688 3.265 20 30 EGEDRM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(C#N)c(Cl)c1 ZINC000560367485 315680674 /nfs/dbraw/zinc/68/06/74/315680674.db2.gz MEVCJBYEXRAKHD-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM C[C@@H](C(=O)N=c1[nH][n-]c(C2CC2)c1C#N)c1ccc2ccccc2c1 ZINC000564001612 316101589 /nfs/dbraw/zinc/10/15/89/316101589.db2.gz ZFMOJHHUXMDKHE-GFCCVEGCSA-N -1 0 330.391 3.476 20 30 EGEDRM Cc1cc(Br)c([O-])c(NC(=O)c2ncc(C#N)cc2C)c1 ZINC000564354339 316142280 /nfs/dbraw/zinc/14/22/80/316142280.db2.gz MUKMAMLIWKCUOH-UHFFFAOYSA-N -1 0 346.184 3.291 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CCCC3)s1 ZINC000566672185 316510579 /nfs/dbraw/zinc/51/05/79/316510579.db2.gz WJQKAILFGHXOGH-UHFFFAOYSA-N -1 0 346.433 3.330 20 30 EGEDRM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2cccc(C#N)n2)c(C)c1C ZINC000567110638 316569521 /nfs/dbraw/zinc/56/95/21/316569521.db2.gz QOUGDLGTHZTXIX-UHFFFAOYSA-N -1 0 329.425 3.296 20 30 EGEDRM C=CCCS(=O)(=O)[N-][C@@H](c1c(F)cccc1F)C(F)(F)F ZINC000180757496 455239626 /nfs/dbraw/zinc/23/96/26/455239626.db2.gz NJRBAVLGHVYJOD-NSHDSACASA-N -1 0 329.290 3.064 20 30 EGEDRM C=C[C@@H](CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])c1ccccc1 ZINC000190731142 455375186 /nfs/dbraw/zinc/37/51/86/455375186.db2.gz NMOQONYLVWBLNA-HNAYVOBHSA-N -1 0 335.403 3.384 20 30 EGEDRM Cn1c2ccccc2nc1C(C#N)=C([O-])c1occc1Br ZINC000083763249 453959276 /nfs/dbraw/zinc/95/92/76/453959276.db2.gz GKEFOZWJFHXTPT-SECBINFHSA-N -1 0 344.168 3.419 20 30 EGEDRM COc1cn(-c2ccccc2)nc1C([O-])=C(C#N)c1nc(C)cs1 ZINC000041518935 453970082 /nfs/dbraw/zinc/97/00/82/453970082.db2.gz JYQZTXUNOGBANK-ZDUSSCGKSA-N -1 0 338.392 3.136 20 30 EGEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1ccccc1OCC1CC1 ZINC000076938214 454050774 /nfs/dbraw/zinc/05/07/74/454050774.db2.gz FBMBDLSACFMFAE-UHFFFAOYSA-N -1 0 328.393 3.148 20 30 EGEDRM C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000181937622 455402026 /nfs/dbraw/zinc/40/20/26/455402026.db2.gz MSIJEFOXLFIKIK-UHFFFAOYSA-N -1 0 337.335 3.000 20 30 EGEDRM CC(C)CCc1noc(Cn2[n-]c(C(C)(C)C)c(CCC#N)c2=O)n1 ZINC000119347031 454188538 /nfs/dbraw/zinc/18/85/38/454188538.db2.gz SSRIVIYKLWLLGM-UHFFFAOYSA-N -1 0 345.447 3.362 20 30 EGEDRM COc1cc(C(=O)/C=C/c2cccc(O[C@@H](C)C(=O)[O-])c2)ccc1O ZINC000058357309 454191550 /nfs/dbraw/zinc/19/15/50/454191550.db2.gz DJEVCOVAWPBIKU-WMADIVHISA-N -1 0 342.347 3.149 20 30 EGEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184682230 455427215 /nfs/dbraw/zinc/42/72/15/455427215.db2.gz OXMGCLRGXPGYBA-UHFFFAOYSA-N -1 0 342.351 3.137 20 30 EGEDRM Cc1cccc(S(=O)(=O)[N-]C(=O)C=Cc2cccc([N+](=O)[O-])c2)c1 ZINC000073121495 454397071 /nfs/dbraw/zinc/39/70/71/454397071.db2.gz ATQFKKRQUKGXGT-HJWRWDBZSA-N -1 0 346.364 3.262 20 30 EGEDRM CC(C)OCc1cccc([N-]S(=O)(=O)c2ccccc2C#N)c1 ZINC000063849459 454454729 /nfs/dbraw/zinc/45/47/29/454454729.db2.gz XDWFOMPWHHFRGW-UHFFFAOYSA-N -1 0 330.409 3.284 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)s1 ZINC000048527567 454496605 /nfs/dbraw/zinc/49/66/05/454496605.db2.gz HBRYQGSDLFIVAJ-FOSCPWQOSA-N -1 0 341.454 3.097 20 30 EGEDRM CCCNC(=O)c1cccc(C([O-])=C(C#N)c2nc(C)cs2)c1 ZINC000122213646 454514844 /nfs/dbraw/zinc/51/48/44/454514844.db2.gz KAPIBVWBIBJJPA-CQSZACIVSA-N -1 0 327.409 3.081 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)NCc2c(C)cc(C)cc2C)cc1C#N ZINC000074385414 454573359 /nfs/dbraw/zinc/57/33/59/454573359.db2.gz MNSHIAPIHPKXRO-UHFFFAOYSA-N -1 0 341.436 3.236 20 30 EGEDRM Cc1nc(C)c([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)s1 ZINC000080972198 454662191 /nfs/dbraw/zinc/66/21/91/454662191.db2.gz QYCAAAJSUHFYEQ-UHFFFAOYSA-N -1 0 327.818 3.086 20 30 EGEDRM N#CCCCCNC(=O)c1cc(Cl)cc(Br)c1[O-] ZINC000176289491 454723579 /nfs/dbraw/zinc/72/35/79/454723579.db2.gz MRCSOMIHETXBJV-UHFFFAOYSA-N -1 0 331.597 3.232 20 30 EGEDRM Cc1cccc(S(=O)(=O)[N-]c2cccc(-c3cnco3)c2)c1C#N ZINC000137288198 454774974 /nfs/dbraw/zinc/77/49/74/454774974.db2.gz DUSXHZMKUXFVMJ-UHFFFAOYSA-N -1 0 339.376 3.323 20 30 EGEDRM CC(C)n1cc(C#N)c([N-]S(=O)(=O)c2ccccc2C(C)(C)C)n1 ZINC000164009292 454871608 /nfs/dbraw/zinc/87/16/08/454871608.db2.gz KLIFOMHNFJNKBF-UHFFFAOYSA-N -1 0 346.456 3.434 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cn1 ZINC000164950389 454891577 /nfs/dbraw/zinc/89/15/77/454891577.db2.gz FUFXHKBCNDMPQC-UHFFFAOYSA-N -1 0 328.180 3.061 20 30 EGEDRM COC(=O)c1[nH]c(C)c(C([O-])=C(C#N)c2nc3ccccc3o2)c1C ZINC000178318192 454948429 /nfs/dbraw/zinc/94/84/29/454948429.db2.gz PTWLSMNLUSDZGV-LLVKDONJSA-N -1 0 337.335 3.049 20 30 EGEDRM N#CC(=C([O-])c1ccc(C(=O)NC2CC2)cc1)c1nc2ccccc2o1 ZINC000178882850 454987070 /nfs/dbraw/zinc/98/70/70/454987070.db2.gz FFNSCLJVCQUHAW-OAHLLOKOSA-N -1 0 345.358 3.210 20 30 EGEDRM N#Cc1cc(Cl)ccc1S(=O)(=O)N[C@H]1CCCc2occc21 ZINC000156362775 455109136 /nfs/dbraw/zinc/10/91/36/455109136.db2.gz XCINNLIVCRZEIK-ZDUSSCGKSA-N -1 0 336.800 3.161 20 30 EGEDRM CCN(C[C@H](C)C#N)C(=O)c1cc(Br)cc(Cl)c1[O-] ZINC000119030453 455121633 /nfs/dbraw/zinc/12/16/33/455121633.db2.gz HBVPQEOZKOOOAS-MRVPVSSYSA-N -1 0 345.624 3.430 20 30 EGEDRM Cn1cc(C([O-])=C(C#N)c2cnc3ccccc3n2)c(C(C)(C)C)n1 ZINC000190913928 455404144 /nfs/dbraw/zinc/40/41/44/455404144.db2.gz OANHZLVGLIPBFU-LBPRGKRZSA-N -1 0 333.395 3.151 20 30 EGEDRM C[C@H]1CCC[C@@](C#N)(NS(=O)(=O)c2cc(F)ccc2Cl)C1 ZINC000182013845 455416119 /nfs/dbraw/zinc/41/61/19/455416119.db2.gz UJFKRGUZJWJMBM-IINYFYTJSA-N -1 0 330.812 3.230 20 30 EGEDRM Cn1cc(/C=C/C(=O)c2ccc(O)cc2[O-])c(-c2ccc(C#N)cc2)n1 ZINC000182293656 455482407 /nfs/dbraw/zinc/48/24/07/455482407.db2.gz GZMAXUPAYKVFFV-RMKNXTFCSA-N -1 0 345.358 3.266 20 30 EGEDRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CCC(C#N)CC3)n2)cc1 ZINC000175793356 455498120 /nfs/dbraw/zinc/49/81/20/455498120.db2.gz PFUZYLVSAANIPO-UHFFFAOYSA-N -1 0 338.411 3.077 20 30 EGEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(C(F)(F)F)cn1 ZINC000182751516 455580936 /nfs/dbraw/zinc/58/09/36/455580936.db2.gz CUPPYKVROXZIDA-UHFFFAOYSA-N -1 0 341.314 3.081 20 30 EGEDRM C=CCOc1ccccc1C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000192893646 455713999 /nfs/dbraw/zinc/71/39/99/455713999.db2.gz GBFSOANBSIUCDP-UHFFFAOYSA-N -1 0 325.364 3.222 20 30 EGEDRM N#Cc1c(F)ccc(CN=c2[n-]nc([C@@H]3CCCO3)s2)c1Cl ZINC000601067925 460698320 /nfs/dbraw/zinc/69/83/20/460698320.db2.gz FJJYBRQRHQZCSQ-NSHDSACASA-N -1 0 338.795 3.088 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)cc2)cn1 ZINC000195441300 455961143 /nfs/dbraw/zinc/96/11/43/455961143.db2.gz XLCWJDKRZZXNKG-UHFFFAOYSA-N -1 0 343.408 3.075 20 30 EGEDRM Cc1ccc(NC(=O)c2ccc(C#N)c([O-])c2)cc1OCC(F)F ZINC000187995528 455978523 /nfs/dbraw/zinc/97/85/23/455978523.db2.gz VBUIJJSJZBLZHK-UHFFFAOYSA-N -1 0 332.306 3.469 20 30 EGEDRM C=CCCO[C@H](C)C(=O)N[C@@H](C[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC000262911702 456068060 /nfs/dbraw/zinc/06/80/60/456068060.db2.gz DNZZLWQBAWUROU-KYJSFNMBSA-N -1 0 345.439 3.047 20 30 EGEDRM C=CCC[C@@H](NC(=O)[C@@H](C)Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000262922042 456068968 /nfs/dbraw/zinc/06/89/68/456068968.db2.gz ODJFRYALZNXCAF-SMDDNHRTSA-N -1 0 343.345 3.420 20 30 EGEDRM C=CCC[C@H](NC(=O)[C@@H](C)Oc1ccccc1C(F)(F)F)C(=O)[O-] ZINC000263033608 456080694 /nfs/dbraw/zinc/08/06/94/456080694.db2.gz ZCGBREGKVGHSPJ-PWSUYJOCSA-N -1 0 345.317 3.008 20 30 EGEDRM C=CCCCCCCCCNC(=O)Cc1c(C)nc2cc[n-]n2c1=O ZINC000288398885 456094758 /nfs/dbraw/zinc/09/47/58/456094758.db2.gz SKEJZUSHNUQNHM-UHFFFAOYSA-N -1 0 344.459 3.319 20 30 EGEDRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC000263113407 456094971 /nfs/dbraw/zinc/09/49/71/456094971.db2.gz LFGZMTWGZBIKDG-CHWSQXEVSA-N -1 0 329.400 3.062 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2csc(C3CC3)n2)n1 ZINC000352771282 456291824 /nfs/dbraw/zinc/29/18/24/456291824.db2.gz NTWLKROQSJLXRE-SECBINFHSA-N -1 0 347.421 3.144 20 30 EGEDRM Cc1c(Cl)cc(S(=O)(=O)[N-]c2cc(C#N)ccn2)cc1Cl ZINC000352876327 456383104 /nfs/dbraw/zinc/38/31/04/456383104.db2.gz KVQOHPBZFJNART-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)[C@H]3CCCCO3)c2)c1 ZINC000343163084 456445107 /nfs/dbraw/zinc/44/51/07/456445107.db2.gz WDBSYOBZCUFWAA-LJQANCHMSA-N -1 0 349.386 3.292 20 30 EGEDRM CCOCc1cc(/C=C/c2nc(C(=O)[O-])ccc2C#N)ccc1OC ZINC000353108186 456493024 /nfs/dbraw/zinc/49/30/24/456493024.db2.gz GAZIDBYTKXCTNL-QPJJXVBHSA-N -1 0 338.363 3.367 20 30 EGEDRM Cc1ncc(CO)c(/C=N/[C@@H](C)c2cccc(OC(F)F)c2)c1O ZINC000298689053 456516110 /nfs/dbraw/zinc/51/61/10/456516110.db2.gz YGWYDLKNFHJPDV-DTZICQQMSA-N -1 0 336.338 3.369 20 30 EGEDRM N#CC(=C([O-])c1scc2c1OCCO2)c1nc(C2CC2)cs1 ZINC000654999356 462446785 /nfs/dbraw/zinc/44/67/85/462446785.db2.gz CDDXPXRVEYXYQF-VIFPVBQESA-N -1 0 332.406 3.343 20 30 EGEDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccccc2CC#N)c1 ZINC000337883049 456586613 /nfs/dbraw/zinc/58/66/13/456586613.db2.gz ZPSHVPPKRZKTNP-UHFFFAOYSA-N -1 0 345.380 3.079 20 30 EGEDRM Cc1c(S(=O)(=O)[N-]c2ccccc2CC#N)c2ccccc2n1C ZINC000340725533 456649772 /nfs/dbraw/zinc/64/97/72/456649772.db2.gz DZJBXAFRPQGUIB-UHFFFAOYSA-N -1 0 339.420 3.354 20 30 EGEDRM CCC(=O)c1ccc(C([O-])=C(C#N)c2nnc3n2CCCCC3)cc1 ZINC000340914869 456759229 /nfs/dbraw/zinc/75/92/29/456759229.db2.gz OFRRKLLLTFRFNM-HNNXBMFYSA-N -1 0 336.395 3.087 20 30 EGEDRM Cc1c([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cnn1C1CCCC1 ZINC000291846085 456775159 /nfs/dbraw/zinc/77/51/59/456775159.db2.gz FIRRXWKJGHWBEY-UHFFFAOYSA-N -1 0 348.403 3.118 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2nc(C(C)C)oc2C)n1 ZINC000353590927 456788194 /nfs/dbraw/zinc/78/81/94/456788194.db2.gz HNTVQYAUTWKEKI-SNVBAGLBSA-N -1 0 347.396 3.230 20 30 EGEDRM CC(C)c1nn(C)cc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000353657964 456836425 /nfs/dbraw/zinc/83/64/25/456836425.db2.gz VKYHWVPUGNBZHB-LLVKDONJSA-N -1 0 336.317 3.447 20 30 EGEDRM [O-]/C(=N/[C@@H]1CCO[C@]2(CCOC2)C1)Nc1nc2ccsc2s1 ZINC000329113823 456837239 /nfs/dbraw/zinc/83/72/39/456837239.db2.gz LMLCQPKFSDSWNI-YMTOWFKASA-N -1 0 339.442 3.022 20 30 EGEDRM Cc1cn2c(ncc(/C([O-])=N/[C@@H]3CC[C@@H]4CCC[C@@H]4C3)c2=O)s1 ZINC000329157806 456845864 /nfs/dbraw/zinc/84/58/64/456845864.db2.gz WMEDGNPFZCNION-YNEHKIRRSA-N -1 0 331.441 3.338 20 30 EGEDRM Cc1cc(C(=O)N=c2[n-]n(C(C)C)cc2C#N)c2nccc(C)c2c1 ZINC000341367401 456859016 /nfs/dbraw/zinc/85/90/16/456859016.db2.gz OHTKRMJISIRGLG-UHFFFAOYSA-N -1 0 333.395 3.175 20 30 EGEDRM N#Cc1cccc(S(=O)(=O)[N-]c2ccccc2OCC(F)F)c1 ZINC000353732634 456877944 /nfs/dbraw/zinc/87/79/44/456877944.db2.gz COWFAOZOROXVLV-UHFFFAOYSA-N -1 0 338.335 3.003 20 30 EGEDRM C=CCOc1ccccc1CNC(=O)N=c1[n-]nc(CC(C)C)s1 ZINC000349576750 456991225 /nfs/dbraw/zinc/99/12/25/456991225.db2.gz RTLSABQIIODPOA-UHFFFAOYSA-N -1 0 346.456 3.045 20 30 EGEDRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(CC#N)cc1 ZINC000346012772 457010889 /nfs/dbraw/zinc/01/08/89/457010889.db2.gz HEXHAZSEYZYPQP-UHFFFAOYSA-N -1 0 338.363 3.490 20 30 EGEDRM C=CCOc1ccc(CNC(=O)c2cc(F)c(F)c([O-])c2F)cc1 ZINC000359096821 457053438 /nfs/dbraw/zinc/05/34/38/457053438.db2.gz YFRSDGZIUATEDA-UHFFFAOYSA-N -1 0 337.297 3.304 20 30 EGEDRM C[C@@H]1CCC[C@@H](CNC(=O)N=c2[n-]nc(CC(F)(F)F)s2)C1 ZINC000331170616 457142657 /nfs/dbraw/zinc/14/26/57/457142657.db2.gz NTWLIOYNAHDFFJ-RKDXNWHRSA-N -1 0 336.383 3.217 20 30 EGEDRM C=C(C)CN(Cc1ccccc1)C(=O)N=c1nc([C@H](C)OC)[n-]s1 ZINC000350706877 457197680 /nfs/dbraw/zinc/19/76/80/457197680.db2.gz GXYRDTGFXFEBCU-ZDUSSCGKSA-N -1 0 346.456 3.278 20 30 EGEDRM N#CC(=C([O-])c1csc(-c2ccc(F)c(F)c2)n1)c1ccncn1 ZINC000354457234 457234635 /nfs/dbraw/zinc/23/46/35/457234635.db2.gz AGHQCFCNKUVSKE-JTQLQIEISA-N -1 0 342.330 3.368 20 30 EGEDRM N#Cc1cccc(F)c1CC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000354535003 457275385 /nfs/dbraw/zinc/27/53/85/457275385.db2.gz HKJJVFSZZLAANN-UHFFFAOYSA-N -1 0 349.705 3.146 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ncsc2C(C)C)n1 ZINC000354972967 457332351 /nfs/dbraw/zinc/33/23/51/457332351.db2.gz VLGIRZMDKPMXBI-SECBINFHSA-N -1 0 349.437 3.390 20 30 EGEDRM Cn1cnc(C([O-])=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)n1 ZINC000355098202 457341315 /nfs/dbraw/zinc/34/13/15/457341315.db2.gz LFJSCFIFBGEUOA-NSHDSACASA-N -1 0 343.799 3.082 20 30 EGEDRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N[C@@H]3CC[C@H](C#N)C3)n2)cc1 ZINC000424963977 457390080 /nfs/dbraw/zinc/39/00/80/457390080.db2.gz FNYWDCSPHXMKGH-DZGCQCFKSA-N -1 0 338.411 3.123 20 30 EGEDRM CCOc1cc(C)ccc1[N-]S(=O)(=O)c1ccccc1CC#N ZINC000355840556 457423228 /nfs/dbraw/zinc/42/32/28/457423228.db2.gz HTMRUULHQOASAP-UHFFFAOYSA-N -1 0 330.409 3.261 20 30 EGEDRM C=CCN(CCc1ccco1)C(=O)N=c1[n-]nc(CCCC)s1 ZINC000352700568 457541029 /nfs/dbraw/zinc/54/10/29/457541029.db2.gz RWWXYIVAOOJONY-UHFFFAOYSA-N -1 0 334.445 3.158 20 30 EGEDRM O=C([O-])c1ccc(/C=C/C(=O)c2cc3c(s2)SCC(=O)N3)cc1 ZINC000374777727 457704755 /nfs/dbraw/zinc/70/47/55/457704755.db2.gz IFRYVLCXZLTBSO-ZZXKWVIFSA-N -1 0 345.401 3.387 20 30 EGEDRM C=CCCCS(=O)(=O)[N-]c1sc(CC)cc1C(=O)OCC ZINC000427758033 458031703 /nfs/dbraw/zinc/03/17/03/458031703.db2.gz ZKJKZAKWHFADSD-UHFFFAOYSA-N -1 0 331.459 3.195 20 30 EGEDRM N#CC(=C([O-])c1ccc2cc[nH]c2n1)c1cc(C(F)(F)F)ccn1 ZINC000362130647 458032492 /nfs/dbraw/zinc/03/24/92/458032492.db2.gz RHWOEWOWOLURAF-NSHDSACASA-N -1 0 330.269 3.467 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)nn1C(F)F ZINC000362177053 458039126 /nfs/dbraw/zinc/03/91/26/458039126.db2.gz CPDOSMVSGKBSHX-VIFPVBQESA-N -1 0 344.243 3.491 20 30 EGEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(-c2ccccc2)[nH]n1 ZINC000434974085 458072182 /nfs/dbraw/zinc/07/21/82/458072182.db2.gz XUSQAXXUAVPNOG-UHFFFAOYSA-N -1 0 338.392 3.058 20 30 EGEDRM Cc1ccc(-c2[n-][nH]c(=NC(=O)[C@@H](C#N)CCc3ccccc3)c2C)o1 ZINC000416252523 458341185 /nfs/dbraw/zinc/34/11/85/458341185.db2.gz PEERZDCOAGIMKF-MRXNPFEDSA-N -1 0 348.406 3.420 20 30 EGEDRM CC(C)c1cccc(-n2cc([O-])c(C(=O)NCC3(C#N)CCC3)n2)c1 ZINC000416349119 458343968 /nfs/dbraw/zinc/34/39/68/458343968.db2.gz XRTJBSHDBNLTRT-UHFFFAOYSA-N -1 0 338.411 3.125 20 30 EGEDRM C=C(C)[C@@H]1OCC[C@H]1CN=c1[n-]nc(-c2ccc(OC)cc2)s1 ZINC000420623721 458399489 /nfs/dbraw/zinc/39/94/89/458399489.db2.gz JPRPIGARVGWWHA-ZFWWWQNUSA-N -1 0 331.441 3.029 20 30 EGEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(Cl)c(Cl)cn1 ZINC000437304143 458442788 /nfs/dbraw/zinc/44/27/88/458442788.db2.gz KNPMDESEGGKGQT-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM C=C(C)Cn1c(-c2cccc(Cl)c2)n[n-]c1=Nc1cnn(C)c1 ZINC000460940413 458541604 /nfs/dbraw/zinc/54/16/04/458541604.db2.gz PQKMURCICJJPEG-UHFFFAOYSA-N -1 0 328.807 3.074 20 30 EGEDRM C=CC[C@@H](CC)NC(=O)N=c1[n-]nc(-c2ccc(OC)cc2)s1 ZINC000439365253 458693546 /nfs/dbraw/zinc/69/35/46/458693546.db2.gz MRAMDMPCBAYWND-GFCCVEGCSA-N -1 0 332.429 3.112 20 30 EGEDRM CCCc1ncc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)s1 ZINC000531185196 458885512 /nfs/dbraw/zinc/88/55/12/458885512.db2.gz GOJHOFHPTSCARD-SNVBAGLBSA-N -1 0 325.397 3.165 20 30 EGEDRM Cn1cnc2c1nccc2C([O-])=C(C#N)c1ncc(C(C)(C)C)s1 ZINC000554010350 458897299 /nfs/dbraw/zinc/89/72/99/458897299.db2.gz FOCCJBVAYNBYJN-NSHDSACASA-N -1 0 339.424 3.212 20 30 EGEDRM C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000519546873 458962354 /nfs/dbraw/zinc/96/23/54/458962354.db2.gz SJUBBVNRIBHZCJ-NVXWUHKLSA-N -1 0 349.452 3.314 20 30 EGEDRM CC(C)Cc1nc(=NCc2cccc(OCCCC#N)c2)s[n-]1 ZINC000594737296 459146013 /nfs/dbraw/zinc/14/60/13/459146013.db2.gz XPUSSADDAJSHIN-UHFFFAOYSA-N -1 0 330.457 3.453 20 30 EGEDRM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000533445184 459237770 /nfs/dbraw/zinc/23/77/70/459237770.db2.gz HGRWJTVNJJLJNZ-AEFFLSMTSA-N -1 0 347.422 3.080 20 30 EGEDRM COc1ccc(/C=C\c2cc(C(=O)[O-])ncn2)cc1OCCCC#N ZINC000534879403 459353437 /nfs/dbraw/zinc/35/34/37/459353437.db2.gz HUYPOHWVLXMIIE-XQRVVYSFSA-N -1 0 339.351 3.036 20 30 EGEDRM Cc1cccc([C@@H](C)CNS(=O)(=O)c2ccc(C#N)cc2F)c1 ZINC000525459413 459457031 /nfs/dbraw/zinc/45/70/31/459457031.db2.gz DUKDWOQKRPTFGJ-ZDUSSCGKSA-N -1 0 332.400 3.088 20 30 EGEDRM C[C@H](C#N)CSc1ccccc1NC(=O)NCC1(C(=O)[O-])CCC1 ZINC000596058341 459503920 /nfs/dbraw/zinc/50/39/20/459503920.db2.gz FJIVWJXGHNAIIT-GFCCVEGCSA-N -1 0 347.440 3.315 20 30 EGEDRM C=C[C@@H]1CCCCN1C(=O)N=c1[n-]nc(Cc2cccc(F)c2)s1 ZINC000488293572 459541863 /nfs/dbraw/zinc/54/18/63/459541863.db2.gz JMYZPTPZCNVOIP-CQSZACIVSA-N -1 0 346.431 3.262 20 30 EGEDRM C=C[C@H]1CCCCN1C(=O)N=c1[n-]nc(Cc2ccccc2F)s1 ZINC000488284499 459542632 /nfs/dbraw/zinc/54/26/32/459542632.db2.gz LCCPWJOUSITXMK-ZDUSSCGKSA-N -1 0 346.431 3.262 20 30 EGEDRM C=CCn1cccc1C(=O)N=c1nc(Sc2ccccc2)[n-]s1 ZINC000488878013 459555240 /nfs/dbraw/zinc/55/52/40/459555240.db2.gz JESZMRHYLKSRMX-UHFFFAOYSA-N -1 0 342.449 3.351 20 30 EGEDRM C=CCCC[C@@H](C)NC(=O)N(CC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000573664905 459713230 /nfs/dbraw/zinc/71/32/30/459713230.db2.gz XJSNMVGSYVVFMF-GFCCVEGCSA-N -1 0 340.370 3.306 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)NC2CCC(C3CCC3)CC2)cc1C#N ZINC000598450859 459901684 /nfs/dbraw/zinc/90/16/84/459901684.db2.gz IPYSVBDMWONDCG-UHFFFAOYSA-N -1 0 345.468 3.469 20 30 EGEDRM CCC(CC)[C@@H](NC(=O)N=c1[n-]n(C)cc1C#N)c1cccs1 ZINC000610561357 460184619 /nfs/dbraw/zinc/18/46/19/460184619.db2.gz JGMAFOPJSUPJBV-CQSZACIVSA-N -1 0 331.445 3.074 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2cccc(Cl)c2-n2cccn2)cc1[O-] ZINC000615464600 460332612 /nfs/dbraw/zinc/33/26/12/460332612.db2.gz OIRKAFZZYNMIQL-UHFFFAOYSA-N -1 0 338.754 3.355 20 30 EGEDRM CC1(C)Cc2cccc([N-]S(=O)(=O)c3cccc(CC#N)c3)c2O1 ZINC000619463901 460363271 /nfs/dbraw/zinc/36/32/71/460363271.db2.gz VAWJJNNDKAWEPM-UHFFFAOYSA-N -1 0 342.420 3.267 20 30 EGEDRM C=CCNC(=O)c1ccc(NC(=O)[C@](C)(CC(=O)[O-])CC(C)C)cc1 ZINC000634818608 460537498 /nfs/dbraw/zinc/53/74/98/460537498.db2.gz RAWWSRPIZATXMZ-IBGZPJMESA-N -1 0 346.427 3.068 20 30 EGEDRM C[C@@H](S[C@@H](C)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)C(=O)[O-] ZINC000601986323 460972766 /nfs/dbraw/zinc/97/27/66/460972766.db2.gz UAZZAKGINKRZHI-JGVFFNPUSA-N -1 0 346.330 3.110 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)CCSc1ccccc1Cl)C(=O)[O-] ZINC000630319396 461094357 /nfs/dbraw/zinc/09/43/57/461094357.db2.gz ZPVXOUGUPZBWSO-GFCCVEGCSA-N -1 0 327.833 3.358 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)[C@@H](C)Oc1cccc2ccccc21)C(=O)[O-] ZINC000630320188 461094650 /nfs/dbraw/zinc/09/46/50/461094650.db2.gz QJYMXGHHQJEIDK-CZUORRHYSA-N -1 0 327.380 3.143 20 30 EGEDRM C=C(C)C[C@H](NC(=O)CCCOc1ccccc1Cl)C(=O)[O-] ZINC000630325771 461095566 /nfs/dbraw/zinc/09/55/66/461095566.db2.gz LIKKJOPRPGMQMC-ZDUSSCGKSA-N -1 0 325.792 3.035 20 30 EGEDRM C=CCCC(C)(C)NC(=O)c1ccc(OCC(=O)[O-])c(OCC)c1 ZINC000659244102 461245128 /nfs/dbraw/zinc/24/51/28/461245128.db2.gz FKDTWOJXOITSON-UHFFFAOYSA-N -1 0 335.400 3.023 20 30 EGEDRM C=CC[C@H](C(=O)N=c1nc(C(C)(C)OC)[n-]s1)c1ccccc1 ZINC000634151440 461444719 /nfs/dbraw/zinc/44/47/19/461444719.db2.gz CCQWGLWBBUOVRE-ZDUSSCGKSA-N -1 0 331.441 3.140 20 30 EGEDRM CCc1cc(C#N)c([N-]S(=O)(=O)c2ccc3c(c2)C(=O)CC3)s1 ZINC000656182571 461633694 /nfs/dbraw/zinc/63/36/94/461633694.db2.gz FHLAUCPGDSUADZ-UHFFFAOYSA-N -1 0 346.433 3.112 20 30 EGEDRM C=CC(C)(C)CNC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000666550838 461687353 /nfs/dbraw/zinc/68/73/53/461687353.db2.gz PIVCSUDTKPSLBR-UHFFFAOYSA-N -1 0 330.428 3.486 20 30 EGEDRM CC(C)(C)n1cnc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)n1 ZINC000643694886 461780850 /nfs/dbraw/zinc/78/08/50/461780850.db2.gz YXDDFNLZGNWPOB-JTQLQIEISA-N -1 0 343.387 3.272 20 30 EGEDRM C=CCCn1cc(CNc2ccc(S[C@@H](C)C(=O)[O-])cc2)nn1 ZINC000656567126 461788799 /nfs/dbraw/zinc/78/87/99/461788799.db2.gz DHKWAYFYZYKIBB-LBPRGKRZSA-N -1 0 332.429 3.032 20 30 EGEDRM COCc1cncc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)c1 ZINC000643779371 461803485 /nfs/dbraw/zinc/80/34/85/461803485.db2.gz DFPCVIZAHHWDJU-CYBMUJFWSA-N -1 0 335.285 3.132 20 30 EGEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccccc1C(C)C ZINC000344485638 536658128 /nfs/dbraw/zinc/65/81/28/536658128.db2.gz GHYQUNGEFZOMNG-UHFFFAOYSA-N -1 0 330.409 3.491 20 30 EGEDRM C=C[C@@H](CC(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1)c1ccccc1 ZINC000127149013 546766796 /nfs/dbraw/zinc/76/67/96/546766796.db2.gz VEAHMIHXSSXRJC-ZDUSSCGKSA-N -1 0 335.363 3.328 20 30 EGEDRM C=CCOCCCC(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC000676018547 549021048 /nfs/dbraw/zinc/02/10/48/549021048.db2.gz LFIMDVUQKBTDIJ-UHFFFAOYSA-N -1 0 333.409 3.199 20 30 EGEDRM O=C(c1c([O-])cccc1F)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 ZINC000681235623 549971023 /nfs/dbraw/zinc/97/10/23/549971023.db2.gz YKEOUKHESFBMQR-BQBZGAKWSA-N -1 0 345.214 3.344 20 30 EGEDRM C=CCCC[C@H](C)NC(=O)N[C@H](C(=O)[O-])c1ccc(OC)c(F)c1 ZINC000684733022 550362351 /nfs/dbraw/zinc/36/23/51/550362351.db2.gz LIQPYJIOVAMFFB-NHYWBVRUSA-N -1 0 338.379 3.004 20 30 EGEDRM O=C([O-])COc1cccc(C(=O)/C=C\c2cc(F)c(F)c(F)c2)c1 ZINC000727975772 574707597 /nfs/dbraw/zinc/70/75/97/574707597.db2.gz ICWQDNZZZJZDHI-PLNGDYQASA-N -1 0 336.265 3.463 20 30 EGEDRM Cc1cc(C(=O)/C=C\c2cccc(OCCC(=O)[O-])c2)ccc1O ZINC000728232484 574732224 /nfs/dbraw/zinc/73/22/24/574732224.db2.gz ULDCCGBHZGRUGZ-ALCCZGGFSA-N -1 0 326.348 3.450 20 30 EGEDRM Cc1ccc(-c2ccc(C(=O)N(CC#N)CC(=O)[O-])c(F)c2)cc1C ZINC000738488193 574738416 /nfs/dbraw/zinc/73/84/16/574738416.db2.gz JQAQYXIKOVMUQU-UHFFFAOYSA-N -1 0 340.354 3.160 20 30 EGEDRM COc1cc(/C=C2\Cc3c(cccc3C)C2=O)cc([N+](=O)[O-])c1[O-] ZINC000729149921 574818988 /nfs/dbraw/zinc/81/89/88/574818988.db2.gz GUKSRDHMOVLEDY-WUXMJOGZSA-N -1 0 325.320 3.440 20 30 EGEDRM N#Cc1ccc(F)c(CSCc2ccc(F)cc2-c2nn[nH]n2)c1 ZINC000737717757 575003974 /nfs/dbraw/zinc/00/39/74/575003974.db2.gz IVEADLUVNHLSJV-UHFFFAOYSA-N -1 0 343.362 3.450 20 30 EGEDRM O=C([O-])C(F)(F)Oc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1 ZINC000730733353 575013688 /nfs/dbraw/zinc/01/36/88/575013688.db2.gz YEBMRNFWUBCUTO-UHFFFAOYSA-N -1 0 344.269 3.205 20 30 EGEDRM O=C([O-])CCOc1ccc(/C=C2/COc3ccc(F)cc3C2=O)cc1 ZINC000731564826 575080779 /nfs/dbraw/zinc/08/07/79/575080779.db2.gz APHNFVJATAWKKD-LCYFTJDESA-N -1 0 342.322 3.338 20 30 EGEDRM O=C1CCCN1c1ccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])cc1F ZINC000732622494 575279572 /nfs/dbraw/zinc/27/95/72/575279572.db2.gz QRMHFLPPSLXMLG-UHFFFAOYSA-N -1 0 343.314 3.317 20 30 EGEDRM Cc1cc(C)c2c(c1)OC/C(=C/c1cccc(OCC(=O)[O-])c1)C2=O ZINC000733206474 575320474 /nfs/dbraw/zinc/32/04/74/575320474.db2.gz LDUGXGHEYBIFEL-NVNXTCNLSA-N -1 0 338.359 3.426 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@H](C)CC2CCCC2)n1 ZINC000734052988 575431067 /nfs/dbraw/zinc/43/10/67/575431067.db2.gz BCCXXUYZDSWZRU-RISCZKNCSA-N -1 0 334.441 3.387 20 30 EGEDRM Cc1ccc2[nH]cc(C=Nn3c(=S)[n-]nc3C(F)(F)F)c2c1 ZINC000735610608 575689253 /nfs/dbraw/zinc/68/92/53/575689253.db2.gz QHBPWXDJVLFVDM-UHFFFAOYSA-N -1 0 325.319 3.258 20 30 EGEDRM C#CCOc1cccc(COC(=O)c2cccc(NC(=O)[O-])c2)c1 ZINC000736089305 575898108 /nfs/dbraw/zinc/89/81/08/575898108.db2.gz JGUQTJZDIOKFMY-UHFFFAOYSA-N -1 0 325.320 3.146 20 30 EGEDRM C=C(C)COc1cccc(NC(=O)N2CCC(CC(=O)[O-])CC2)c1 ZINC000736094299 575898678 /nfs/dbraw/zinc/89/86/78/575898678.db2.gz APZXYYJVCHHNAM-UHFFFAOYSA-N -1 0 332.400 3.360 20 30 EGEDRM C=C(C)COc1cccc(NC(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)c1 ZINC000736094426 575898694 /nfs/dbraw/zinc/89/86/94/575898694.db2.gz FVPPRXCHEUKNON-INIZCTEOSA-N -1 0 344.411 3.360 20 30 EGEDRM C#Cc1ccc(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)nc1 ZINC000736093699 575898803 /nfs/dbraw/zinc/89/88/03/575898803.db2.gz YLPDJTLHXOMSOW-UHFFFAOYSA-N -1 0 340.404 3.023 20 30 EGEDRM C=CCOc1ccccc1C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000736114231 575900703 /nfs/dbraw/zinc/90/07/03/575900703.db2.gz PFAKWBSBPZZPMS-UHFFFAOYSA-N -1 0 326.352 3.271 20 30 EGEDRM C=CCn1c(S[C@@H](CCCC)C(=O)[O-])nc2ccccc2c1=O ZINC000736118276 575901438 /nfs/dbraw/zinc/90/14/38/575901438.db2.gz SRZJZKMRQCUHIC-AWEZNQCLSA-N -1 0 332.425 3.318 20 30 EGEDRM C/C(=C\C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000736121496 575902232 /nfs/dbraw/zinc/90/22/32/575902232.db2.gz SOAXYOXQEGNQIH-NCUBBLFSSA-N -1 0 339.322 3.470 20 30 EGEDRM CC(=O)N1CCCc2cc(N[C@H](C(=O)[O-])c3ccc(C#N)cc3)ccc21 ZINC000736133547 575903385 /nfs/dbraw/zinc/90/33/85/575903385.db2.gz BFPGMCAIIZENRE-IBGZPJMESA-N -1 0 349.390 3.095 20 30 EGEDRM CC(C)[C@@H](NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1)C(=O)[O-] ZINC000736390061 575948796 /nfs/dbraw/zinc/94/87/96/575948796.db2.gz OCZHPRKMMILYRU-QGZVFWFLSA-N -1 0 337.379 3.141 20 30 EGEDRM CC(C)c1ccccc1N=C1SCCCN1C(=O)CCNC(=O)[O-] ZINC000736524039 575977417 /nfs/dbraw/zinc/97/74/17/575977417.db2.gz ZFLPXSFRSDKPNX-UHFFFAOYSA-N -1 0 349.456 3.421 20 30 EGEDRM C[C@@H](CC(=O)[O-])SCC(=O)c1cn(CCC#N)c2ccccc12 ZINC000736551700 575983195 /nfs/dbraw/zinc/98/31/95/575983195.db2.gz FGIXHYSGMLHFPE-LBPRGKRZSA-N -1 0 330.409 3.334 20 30 EGEDRM C[C@@H](SCC(=O)[O-])C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000736706530 576011234 /nfs/dbraw/zinc/01/12/34/576011234.db2.gz AIQYJJXBRORDMN-SECBINFHSA-N -1 0 338.454 3.033 20 30 EGEDRM CCCc1c(C(=O)Nc2ccc(F)c(C#N)c2)[nH]c(C)c1C(=O)[O-] ZINC000737043620 576088509 /nfs/dbraw/zinc/08/85/09/576088509.db2.gz KUGIBPOTNHVHLJ-UHFFFAOYSA-N -1 0 329.331 3.237 20 30 EGEDRM CCOc1ccc(C#N)cc1NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000737195086 576134319 /nfs/dbraw/zinc/13/43/19/576134319.db2.gz UVHCXMWVUWBFFW-UHFFFAOYSA-N -1 0 338.363 3.226 20 30 EGEDRM CCOc1cccc(/C=N\[C@@H](CC(=O)[O-])c2ccc(OC)cc2)c1O ZINC000737211482 576136835 /nfs/dbraw/zinc/13/68/35/576136835.db2.gz UXENFYMKLSZHSO-DEFALTHMSA-N -1 0 343.379 3.434 20 30 EGEDRM CN(C(=O)c1cccc(Oc2ccc(C#N)cc2)c1)C(C)(C)C(=O)[O-] ZINC000737341419 576211129 /nfs/dbraw/zinc/21/11/29/576211129.db2.gz UYXCNXIQNLDZCD-UHFFFAOYSA-N -1 0 338.363 3.286 20 30 EGEDRM C=CCCO[C@H](C)C(=O)Nc1ccc(Br)cc1C(=O)[O-] ZINC000737528381 576241121 /nfs/dbraw/zinc/24/11/21/576241121.db2.gz TVNSLZFDRJIQMD-SECBINFHSA-N -1 0 342.189 3.067 20 30 EGEDRM COCc1ccc(/C=C\C(=O)c2ccc(OCC(=O)[O-])cc2)cc1 ZINC000737834249 576266281 /nfs/dbraw/zinc/26/62/81/576266281.db2.gz MWYBDWKPBLQQOV-WDZFZDKYSA-N -1 0 326.348 3.193 20 30 EGEDRM Cc1cc(Cl)c(N)c(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000738399629 576321686 /nfs/dbraw/zinc/32/16/86/576321686.db2.gz RCKARHDHXRPYNP-OAHLLOKOSA-N -1 0 344.754 3.085 20 30 EGEDRM N#CCCCOc1cccnc1NC(=O)c1ccc(NC(=O)[O-])cc1 ZINC000738427989 576324659 /nfs/dbraw/zinc/32/46/59/576324659.db2.gz HYIUJGUXENQULN-UHFFFAOYSA-N -1 0 340.339 3.106 20 30 EGEDRM C#Cc1cccc(N(Cc2cccs2)C(=O)CSCC(=O)[O-])c1 ZINC000738466768 576329146 /nfs/dbraw/zinc/32/91/46/576329146.db2.gz HECSAJKOHPFORV-UHFFFAOYSA-N -1 0 345.445 3.080 20 30 EGEDRM N#CCn1c(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc2ccccc21 ZINC000739092635 576377593 /nfs/dbraw/zinc/37/75/93/576377593.db2.gz RBIZZBLUTQZALY-UHFFFAOYSA-N -1 0 337.310 3.254 20 30 EGEDRM N#Cc1ccc(NC[C@@H](Cc2ccc3ccccc3c2)C(=O)[O-])nc1 ZINC000739121523 576379121 /nfs/dbraw/zinc/37/91/21/576379121.db2.gz SVELUXHWIQAVOP-GOSISDBHSA-N -1 0 331.375 3.462 20 30 EGEDRM N#Cc1ccc(SCC(=O)Nc2cccc(NC(=O)[O-])c2)cc1 ZINC000739132891 576379398 /nfs/dbraw/zinc/37/93/98/576379398.db2.gz VVRHDAGZTPVRFK-UHFFFAOYSA-N -1 0 327.365 3.379 20 30 EGEDRM N#Cc1cnc(NCc2ccc(OCCCC(=O)[O-])cc2)c(Cl)c1 ZINC000739141992 576379544 /nfs/dbraw/zinc/37/95/44/576379544.db2.gz GYILLYICNRVXIC-UHFFFAOYSA-N -1 0 345.786 3.462 20 30 EGEDRM O=[N+]([O-])c1cc(C=NNc2cccc(C(F)(F)F)n2)ccc1[O-] ZINC000739422130 576410326 /nfs/dbraw/zinc/41/03/26/576410326.db2.gz SMJONDOEUQUYLP-UHFFFAOYSA-N -1 0 326.234 3.160 20 30 EGEDRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1 ZINC000739573922 576430869 /nfs/dbraw/zinc/43/08/69/576430869.db2.gz MVSCJYAEDVOPRU-IAGOWNOFSA-N -1 0 348.402 3.311 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2)c(F)c1 ZINC000740603883 576606522 /nfs/dbraw/zinc/60/65/22/576606522.db2.gz BIIKPKNGRUYLLU-UHFFFAOYSA-N -1 0 345.399 3.098 20 30 EGEDRM O=C([O-])CCOc1cccc(/C=C\C(=O)c2ccc3c(c2)COC3)c1 ZINC000742436277 576784061 /nfs/dbraw/zinc/78/40/61/576784061.db2.gz JHXHZGQKWWSCSL-DAXSKMNVSA-N -1 0 338.359 3.466 20 30 EGEDRM Cc1cc(/C=C/C(=O)c2ccc(CC(=O)[O-])cc2)ccc1-n1cncn1 ZINC000742433465 576784075 /nfs/dbraw/zinc/78/40/75/576784075.db2.gz YRWXBICYRCUOII-WEVVVXLNSA-N -1 0 347.374 3.099 20 30 EGEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N/CCN2Cc3ccccc3C2)c1[O-] ZINC000743538219 576811390 /nfs/dbraw/zinc/81/13/90/576811390.db2.gz JRTIWMYZIUCURP-DJKKODMXSA-N -1 0 345.786 3.389 20 30 EGEDRM Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](C)C(=O)[O-] ZINC000818849331 597319033 /nfs/dbraw/zinc/31/90/33/597319033.db2.gz ULBTYCFILMRNBS-LBPRGKRZSA-N -1 0 339.351 3.254 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1Cc2ccccc2-c2ccccc2C1 ZINC000819822206 597642513 /nfs/dbraw/zinc/64/25/13/597642513.db2.gz MSRIIJUBARQXFR-FQEVSTJZSA-N -1 0 334.375 3.200 20 30 EGEDRM C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ccccc1C(=O)[O-] ZINC000819874649 597657178 /nfs/dbraw/zinc/65/71/78/597657178.db2.gz OAUUOOVIZKBROU-NSHDSACASA-N -1 0 325.324 3.320 20 30 EGEDRM C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000819713321 598191041 /nfs/dbraw/zinc/19/10/41/598191041.db2.gz JGCZGLFMROAWAY-UHFFFAOYSA-N -1 0 349.390 3.154 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NCc1ccc(OC2CCCCC2)cc1 ZINC000819842795 598226143 /nfs/dbraw/zinc/22/61/43/598226143.db2.gz UAXFYSGDCDPNLW-LJQANCHMSA-N -1 0 344.411 3.019 20 30 EGEDRM CC(C)Sc1ccc([C@H](C)NC(=O)[C@@](C)(C#N)CC(=O)[O-])cc1 ZINC000820036638 598226808 /nfs/dbraw/zinc/22/68/08/598226808.db2.gz IGSZEAPUVHWIQL-YVEFUNNKSA-N -1 0 334.441 3.369 20 30 EGEDRM N#CC(C(=O)CCCNC(=O)[O-])c1nc(-c2ccccc2)cs1 ZINC000739073955 599799004 /nfs/dbraw/zinc/79/90/04/599799004.db2.gz GEWCERKQDCUDLT-GFCCVEGCSA-N -1 0 329.381 3.034 20 30 EGEDRM COc1ccc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c(Cl)c1 ZINC000737946052 600617665 /nfs/dbraw/zinc/61/76/65/600617665.db2.gz AMYOZDJFXSXNPL-OAHLLOKOSA-N -1 0 345.738 3.203 20 30 EGEDRM C=CCn1c(Cc2ccccc2)nnc1SC/C=C(/C)C(=O)[O-] ZINC000825711289 600726825 /nfs/dbraw/zinc/72/68/25/600726825.db2.gz XUGLVHPUNRCNJO-LCYFTJDESA-N -1 0 329.425 3.178 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)[C@H]2C[C@]23CCc2ccccc23)C(=O)[O-])cc1 ZINC000833071771 600738727 /nfs/dbraw/zinc/73/87/27/600738727.db2.gz IJMNTDJTAUWRTK-LQWHRVPQSA-N -1 0 347.370 3.131 20 30 EGEDRM CC(C)CN(C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)c1ccc(C#N)cc1 ZINC000826864900 600914004 /nfs/dbraw/zinc/91/40/04/600914004.db2.gz AXHVBQQOHFKIHG-HOTGVXAUSA-N -1 0 328.412 3.438 20 30 EGEDRM CC(C)CCN(CCC#N)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000826849215 601128944 /nfs/dbraw/zinc/12/89/44/601128944.db2.gz ZFYDTQCGQLQGOJ-UHFFFAOYSA-N -1 0 331.416 3.497 20 30 EGEDRM Cc1cccc(C[C@H](CNc2ccc(Cl)c(C#N)n2)C(=O)[O-])c1 ZINC000832968373 601252163 /nfs/dbraw/zinc/25/21/63/601252163.db2.gz DMKAZHMBCZKICU-CYBMUJFWSA-N -1 0 329.787 3.271 20 30 EGEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccnc(C(=O)[O-])c1 ZINC000827218659 601286005 /nfs/dbraw/zinc/28/60/05/601286005.db2.gz ROFXBWIQEVJGEV-LLVKDONJSA-N -1 0 341.392 3.426 20 30 EGEDRM C[C@@H]1CN([C@@H](C(=O)[O-])c2cccc(C#N)c2)C[C@@H](c2ccccc2)O1 ZINC000828413658 601312291 /nfs/dbraw/zinc/31/22/91/601312291.db2.gz SXQPDEUYOIKAFD-MDASCCDHSA-N -1 0 336.391 3.146 20 30 EGEDRM O=C([O-])c1ccc(C=NN=C(C(=O)c2ccccc2)c2ccccc2)[nH]1 ZINC000749806507 601334876 /nfs/dbraw/zinc/33/48/76/601334876.db2.gz DIVIXPQTFNCGCQ-UHFFFAOYSA-N -1 0 345.358 3.419 20 30 EGEDRM N#Cc1cccc([C@H](OC(=O)c2ccc(Cl)cc2F)C(=O)[O-])c1 ZINC000833077530 601346287 /nfs/dbraw/zinc/34/62/87/601346287.db2.gz VNGMZHZIGMMWHN-AWEZNQCLSA-N -1 0 333.702 3.333 20 30 EGEDRM Cc1nc(C(C)C)sc1C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832993851 601349474 /nfs/dbraw/zinc/34/94/74/601349474.db2.gz HKSVTRSJQLLUNW-ZDUSSCGKSA-N -1 0 344.392 3.429 20 30 EGEDRM Cc1ccc2cccc(C(=O)O[C@H](C(=O)[O-])c3cccc(C#N)c3)c2n1 ZINC000832962190 601354785 /nfs/dbraw/zinc/35/47/85/601354785.db2.gz UTNUULFRXAKMSS-SFHVURJKSA-N -1 0 346.342 3.398 20 30 EGEDRM N#Cc1ccc([C@@H](OC(=O)c2cccc3cnccc32)C(=O)[O-])cc1 ZINC000833072493 601467704 /nfs/dbraw/zinc/46/77/04/601467704.db2.gz NJFDHRCPHPPDTB-QGZVFWFLSA-N -1 0 332.315 3.089 20 30 EGEDRM N#Cc1cc(F)c(C(=O)Nc2ccc(CCC(=O)[O-])cc2)c(F)c1 ZINC000833068852 601675705 /nfs/dbraw/zinc/67/57/05/601675705.db2.gz NVPOCLAWPMTYPS-UHFFFAOYSA-N -1 0 330.290 3.106 20 30 EGEDRM O=C([O-])c1cc(/C=C2/CC/C(=C/c3cccc([N+](=O)[O-])c3)C2=O)c[nH]1 ZINC000833355125 601792741 /nfs/dbraw/zinc/79/27/41/601792741.db2.gz JNMVAOHZIAWOQQ-POIBIGJCSA-N -1 0 338.319 3.451 20 30 EGEDRM CCc1nnc(NC[C@@H](C(=O)[O-])c2ccc(C)cc2)c(C#N)c1CC ZINC000830335280 602116985 /nfs/dbraw/zinc/11/69/85/602116985.db2.gz KZCWDJHMXCDHKB-MRXNPFEDSA-N -1 0 338.411 3.062 20 30 EGEDRM Cc1ccc(C(=O)[O-])cc1NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000832918131 602127123 /nfs/dbraw/zinc/12/71/23/602127123.db2.gz AEXSGOMXUMUPCC-UHFFFAOYSA-N -1 0 334.335 3.227 20 30 EGEDRM C=CCC(CC=C)C(=O)Nc1nc2nc(C)cc(C(=O)[O-])c2s1 ZINC000825664499 602155362 /nfs/dbraw/zinc/15/53/62/602155362.db2.gz CDCXJJBRXGGWDQ-UHFFFAOYSA-N -1 0 331.397 3.405 20 30 EGEDRM CN(C)c1nc2cc(N[C@@H](C(=O)[O-])c3ccc(C#N)cc3)ccc2o1 ZINC000830651679 602177766 /nfs/dbraw/zinc/17/77/66/602177766.db2.gz ZEWACAPYPJOVLJ-MRXNPFEDSA-N -1 0 336.351 3.003 20 30 EGEDRM C[C@H](OC1CCCCCC1)C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000827873846 602264884 /nfs/dbraw/zinc/26/48/84/602264884.db2.gz QXNDIXWIOLCVQU-SUMWQHHRSA-N -1 0 345.395 3.355 20 30 EGEDRM CC(C)(C(=O)[O-])[C@H](NC(=O)c1ccc(C#N)s1)c1ccccc1 ZINC000826103737 604388766 /nfs/dbraw/zinc/38/87/66/604388766.db2.gz VUHNWMBMBLUYFN-CQSZACIVSA-N -1 0 328.393 3.202 20 30 EGEDRM CC(C)(Oc1ccc(C#N)cc1)C(=O)Oc1cccc(C(=O)[O-])c1 ZINC000826641406 604405794 /nfs/dbraw/zinc/40/57/94/604405794.db2.gz AJWKSTSHYOHPLG-UHFFFAOYSA-N -1 0 325.320 3.019 20 30 EGEDRM C=C(C)[C@H](CC(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1)OCC ZINC000833366941 604555231 /nfs/dbraw/zinc/55/52/31/604555231.db2.gz FZRNAUXVUKOOFK-ZDUSSCGKSA-N -1 0 349.412 3.146 20 30 EGEDRM Cc1ccc([C@@H](CNC(=O)Nc2cccc(C#N)c2C)C(=O)[O-])cc1 ZINC000832922186 604558312 /nfs/dbraw/zinc/55/83/12/604558312.db2.gz CXDFQPUPZUJYLT-MRXNPFEDSA-N -1 0 337.379 3.165 20 30 EGEDRM C=C(C)[C@@H](CC(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1)OCC ZINC000833367850 604561521 /nfs/dbraw/zinc/56/15/21/604561521.db2.gz WUUMZUVYGGKNRG-LSDHHAIUSA-N -1 0 339.819 3.343 20 30 EGEDRM C[C@@H]1CN(Cc2cccc(C(=O)[O-])c2C#N)[C@@H](c2ccccc2)CO1 ZINC000833628835 604610300 /nfs/dbraw/zinc/61/03/00/604610300.db2.gz BQYNMXSWXCOFSC-AUUYWEPGSA-N -1 0 336.391 3.218 20 30 EGEDRM COCCOc1cccc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000831779554 604627120 /nfs/dbraw/zinc/62/71/20/604627120.db2.gz PAPBIJRGCLJDEA-BJMVGYQFSA-N -1 0 326.348 3.306 20 30 EGEDRM CC1(C)CC(N=Nc2ccc(C(=O)[O-])cn2)c2ccc(F)cc2O1 ZINC000763372538 604669248 /nfs/dbraw/zinc/66/92/48/604669248.db2.gz ZYRUPKUAXLVPCA-UHFFFAOYSA-N -1 0 329.331 3.296 20 30 EGEDRM Cc1ccc(Cl)c(N)c1C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832934247 604692414 /nfs/dbraw/zinc/69/24/14/604692414.db2.gz MYOXTIFOZDYBMQ-OAHLLOKOSA-N -1 0 344.754 3.085 20 30 EGEDRM O=C([O-])c1ccc(C=NOCc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000833313412 604773423 /nfs/dbraw/zinc/77/34/23/604773423.db2.gz VLOXOVLRPJLCES-UHFFFAOYSA-N -1 0 334.715 3.497 20 30 EGEDRM C[C@H](C#N)CNN=Cc1ccc(OCc2ccc(C(=O)[O-])cc2)cc1 ZINC000825966870 604792054 /nfs/dbraw/zinc/79/20/54/604792054.db2.gz OFYYDYOIBRAUBF-CQSZACIVSA-N -1 0 337.379 3.047 20 30 EGEDRM C#CC[C@H](NC(=O)N1CCc2ccc(C(=O)[O-])cc2C1)c1ccccc1 ZINC000833360971 604816918 /nfs/dbraw/zinc/81/69/18/604816918.db2.gz UIBSFMKCLICEMI-IBGZPJMESA-N -1 0 348.402 3.217 20 30 EGEDRM CC(C)c1ncc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)s1 ZINC000827158590 604840424 /nfs/dbraw/zinc/84/04/24/604840424.db2.gz OPUMHSDZMSRQGH-ZDUSSCGKSA-N -1 0 330.365 3.121 20 30 EGEDRM CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000829496466 604929151 /nfs/dbraw/zinc/92/91/51/604929151.db2.gz CBUITGUIQVRSEK-UHFFFAOYSA-N -1 0 340.354 3.448 20 30 EGEDRM N#Cc1ccc(C(=O)N(CCCC(=O)[O-])Cc2ccccc2)s1 ZINC000833070394 604939135 /nfs/dbraw/zinc/93/91/35/604939135.db2.gz DCFDVDKTFHFZCB-UHFFFAOYSA-N -1 0 328.393 3.127 20 30 EGEDRM C=CC[C@H](NC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1)c1ccncc1 ZINC000833371251 604984136 /nfs/dbraw/zinc/98/41/36/604984136.db2.gz RFAGRXLVTARVCN-HOTGVXAUSA-N -1 0 345.443 3.231 20 30 EGEDRM C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cncc(C(=O)[O-])c1 ZINC000833515878 605030107 /nfs/dbraw/zinc/03/01/07/605030107.db2.gz OBDQLPATMNSQRV-NSHDSACASA-N -1 0 341.392 3.426 20 30 EGEDRM C=CCn1c(S[C@H](C(=O)[O-])C2CC2)nnc1-c1ccc(C)cc1 ZINC000833380673 605071928 /nfs/dbraw/zinc/07/19/28/605071928.db2.gz MFAPMAJOFVPHLQ-AWEZNQCLSA-N -1 0 329.425 3.395 20 30 EGEDRM C[C@H](Nc1ccc(NC(=O)[O-])c(F)c1)C(=O)NC1(C#N)CCCCC1 ZINC000833524854 605261131 /nfs/dbraw/zinc/26/11/31/605261131.db2.gz JSCWWDIKGMLLDC-NSHDSACASA-N -1 0 348.378 3.059 20 30 EGEDRM C=CCOc1ccccc1C(=O)Oc1ccc(CC(=O)[O-])cc1F ZINC000833379037 605798785 /nfs/dbraw/zinc/79/87/85/605798785.db2.gz VQVAKHIBLZMNAH-UHFFFAOYSA-N -1 0 330.311 3.237 20 30 EGEDRM COc1cc(/C=C/C(=O)c2ccccc2C)ccc1OCC(=O)[O-] ZINC000008322540 1291102512 /nfs/dbraw/zinc/10/25/12/1291102512.db2.gz OPIUBCNWICMCLJ-VQHVLOKHSA-N -1 0 326.348 3.363 20 30 EGEDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)c1ccc2ccccc2n1 ZINC000042242467 1291437137 /nfs/dbraw/zinc/43/71/37/1291437137.db2.gz HYQUHCIOLMLXOI-UHFFFAOYSA-N -1 0 326.377 3.237 20 30 EGEDRM COCc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000042258300 1291438115 /nfs/dbraw/zinc/43/81/15/1291438115.db2.gz WKKOSCFJCGPBHN-UHFFFAOYSA-N -1 0 345.829 3.241 20 30 EGEDRM Cc1cc(C(=O)[N-]S(=O)(=O)C=Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000042320522 1291440642 /nfs/dbraw/zinc/44/06/42/1291440642.db2.gz VYUCZEWMTCFSNG-MDZDMXLPSA-N -1 0 346.364 3.209 20 30 EGEDRM O=C(C=Cc1cccc(F)c1)[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC000045100165 1291505334 /nfs/dbraw/zinc/50/53/34/1291505334.db2.gz FQMUYMPUZKRTMD-RMKNXTFCSA-N -1 0 337.347 3.465 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)COc2ccc3c(c2)CCC3)cc1 ZINC000046927492 1291556587 /nfs/dbraw/zinc/55/65/87/1291556587.db2.gz UKTBVCKICGXALX-UHFFFAOYSA-N -1 0 345.420 3.208 20 30 EGEDRM O=C(Cc1ccc(OC(F)F)cc1)[N-]S(=O)(=O)c1ccccc1 ZINC000048405209 1291603133 /nfs/dbraw/zinc/60/31/33/1291603133.db2.gz QKRBSXTVCBAZSZ-UHFFFAOYSA-N -1 0 341.335 3.176 20 30 EGEDRM CCCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000048418530 1291604204 /nfs/dbraw/zinc/60/42/04/1291604204.db2.gz BPAUWRFDSNRYTD-NSHDSACASA-N -1 0 328.390 3.456 20 30 EGEDRM Cc1ccc(O[C@@H](C)C(=O)[N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000048453526 1291605433 /nfs/dbraw/zinc/60/54/33/1291605433.db2.gz CCJSGPVOFRFAEB-LBPRGKRZSA-N -1 0 337.372 3.247 20 30 EGEDRM CCOc1cc(-c2ccccc2)sc1C(=O)[N-]S(C)(=O)=O ZINC000048487376 1291606873 /nfs/dbraw/zinc/60/68/73/1291606873.db2.gz DAEFLEFFLJAHBR-UHFFFAOYSA-N -1 0 325.411 3.078 20 30 EGEDRM O=C([N-]S(=O)(=O)Cc1ccc(F)cc1)c1ccc(Cl)s1 ZINC000048505871 1291607878 /nfs/dbraw/zinc/60/78/78/1291607878.db2.gz FCRBLTWDDGZSNH-UHFFFAOYSA-N -1 0 333.793 3.375 20 30 EGEDRM CCOCCCC(=O)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000048519283 1291609291 /nfs/dbraw/zinc/60/92/91/1291609291.db2.gz RQHMVRZNWGHNMS-UHFFFAOYSA-N -1 0 340.228 3.455 20 30 EGEDRM CC(C)c1ccc(CCC(=O)[N-]S(=O)(=O)c2cccnc2)cc1 ZINC000048532341 1291610114 /nfs/dbraw/zinc/61/01/14/1291610114.db2.gz AXOIFYRXPYVGFN-UHFFFAOYSA-N -1 0 332.425 3.483 20 30 EGEDRM N#Cc1ccc(CCC(=O)[N-]S(=O)(=O)Cc2ccc(F)cc2)cc1 ZINC000048568428 1291611652 /nfs/dbraw/zinc/61/16/52/1291611652.db2.gz VIONTYVICQYKFQ-UHFFFAOYSA-N -1 0 346.383 3.116 20 30 EGEDRM CCCc1nc(C)c(C(=O)[N-]S(=O)(=O)c2ccccc2F)s1 ZINC000048593026 1291612031 /nfs/dbraw/zinc/61/20/31/1291612031.db2.gz DNRHMKXYSVKRPY-UHFFFAOYSA-N -1 0 342.417 3.237 20 30 EGEDRM Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)o1 ZINC000048614128 1291613456 /nfs/dbraw/zinc/61/34/56/1291613456.db2.gz QGLOEIOKSQARAW-UHFFFAOYSA-N -1 0 333.287 3.300 20 30 EGEDRM COc1ccc(CCC(=O)[N-]S(=O)(=O)C2CCCCC2)cc1F ZINC000058075107 1291877194 /nfs/dbraw/zinc/87/71/94/1291877194.db2.gz YYGWJACDWCMSLS-UHFFFAOYSA-N -1 0 343.420 3.386 20 30 EGEDRM CC(C)CCC(=O)[N-]S(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000058103364 1291878385 /nfs/dbraw/zinc/87/83/85/1291878385.db2.gz XHPNFTMDJMNXEX-UHFFFAOYSA-N -1 0 329.809 3.069 20 30 EGEDRM CCc1ccsc1C(=O)[N-]S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000058154054 1291880671 /nfs/dbraw/zinc/88/06/71/1291880671.db2.gz IAPWKMZQDXITNS-UHFFFAOYSA-N -1 0 344.845 3.194 20 30 EGEDRM CCOc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000060498142 1291925939 /nfs/dbraw/zinc/92/59/39/1291925939.db2.gz OAIGGFQGCQYSGN-UHFFFAOYSA-N -1 0 333.409 3.396 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)Cc2cn(C)c3ccccc23)cc1 ZINC000062673979 1291996861 /nfs/dbraw/zinc/99/68/61/1291996861.db2.gz IKDJZZKXNSJNBD-UHFFFAOYSA-N -1 0 342.420 3.375 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2ncccc2OCCCC#N)cc1F ZINC000069677440 1292247565 /nfs/dbraw/zinc/24/75/65/1292247565.db2.gz IUJOIAMMFNFVHJ-UHFFFAOYSA-N -1 0 349.387 3.013 20 30 EGEDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)c1nccc2ccccc21 ZINC000073086764 1292304246 /nfs/dbraw/zinc/30/42/46/1292304246.db2.gz BHAHHOSSCQWNEI-UHFFFAOYSA-N -1 0 326.377 3.237 20 30 EGEDRM CCCCS(=O)(=O)[N-]C(=O)c1cccnc1SC(F)(F)F ZINC000073087178 1292305236 /nfs/dbraw/zinc/30/52/36/1292305236.db2.gz PFHFQNDSNFZJBB-UHFFFAOYSA-N -1 0 342.364 3.128 20 30 EGEDRM CCCc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2COc3ccccc32)cc1 ZINC000073087223 1292305642 /nfs/dbraw/zinc/30/56/42/1292305642.db2.gz KQUUXJXORSIVNY-MRXNPFEDSA-N -1 0 345.420 3.461 20 30 EGEDRM O=C([N-]S(=O)(=O)N1CCc2ccccc21)c1coc2ccccc12 ZINC000073290888 1292314159 /nfs/dbraw/zinc/31/41/59/1292314159.db2.gz HSWHTRCHYWNGCI-UHFFFAOYSA-N -1 0 342.376 3.045 20 30 EGEDRM CC(C)OCCC(=O)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000075778086 1292411125 /nfs/dbraw/zinc/41/11/25/1292411125.db2.gz NHPYFDYAASPSCD-UHFFFAOYSA-N -1 0 340.228 3.454 20 30 EGEDRM O=C([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)s1 ZINC000077941900 1292491070 /nfs/dbraw/zinc/49/10/70/1292491070.db2.gz MVLSAPARVJFMLN-UHFFFAOYSA-N -1 0 346.773 3.003 20 30 EGEDRM CC(C)n1cccc1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000091125743 1292821429 /nfs/dbraw/zinc/82/14/29/1292821429.db2.gz RASHUPQTSZDITD-UHFFFAOYSA-N -1 0 348.424 3.088 20 30 EGEDRM CC(C)Oc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(Cl)o2)cc1 ZINC000091135502 1292822455 /nfs/dbraw/zinc/82/24/55/1292822455.db2.gz BUSNNPUPSVXMMV-UHFFFAOYSA-N -1 0 343.788 3.414 20 30 EGEDRM Cc1c(C(=O)[N-]S(=O)(=O)c2ccccc2Cl)cnn1C(C)C ZINC000092693733 1292883832 /nfs/dbraw/zinc/88/38/32/1292883832.db2.gz RPBMVJIAVIFKFL-UHFFFAOYSA-N -1 0 341.820 3.119 20 30 EGEDRM O=C1c2cc(F)ccc2OCC/C1=C\c1ccc([O-])c([N+](=O)[O-])c1 ZINC000095947626 1292946200 /nfs/dbraw/zinc/94/62/00/1292946200.db2.gz NVAQTDTZSCAJRH-YRNVUSSQSA-N -1 0 329.283 3.488 20 30 EGEDRM CC(C)NC(=O)C(C#N)=C([O-])c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000103330348 1293002011 /nfs/dbraw/zinc/00/20/11/1293002011.db2.gz XXINCZZMVSBWEG-SFHVURJKSA-N -1 0 347.374 3.198 20 30 EGEDRM CC[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1 ZINC000114622019 1293173462 /nfs/dbraw/zinc/17/34/62/1293173462.db2.gz TWOSFFJCEQIDHA-QGZVFWFLSA-N -1 0 348.468 3.111 20 30 EGEDRM CC(=NN[C@H](C)C(F)(F)F)c1cc(Br)ccc1O ZINC000834995405 1293183822 /nfs/dbraw/zinc/18/38/22/1293183822.db2.gz DPWWNRPIKCDBDZ-SSDOTTSWSA-N -1 0 325.128 3.419 20 30 EGEDRM CCOC(=O)[C@H]1CCC(N=Nc2ccc(C(=O)[O-])c(F)c2)C[C@@H]1C ZINC000835010100 1293186783 /nfs/dbraw/zinc/18/67/83/1293186783.db2.gz OHINZFNPQVWNRH-GWCFXTLKSA-N -1 0 336.363 3.291 20 30 EGEDRM CC(=NN[C@@H]1CCOC1(C)C)c1oc2cc(C)ccc2c1CC(=O)[O-] ZINC000835020725 1293189590 /nfs/dbraw/zinc/18/95/90/1293189590.db2.gz KBYWBFHXQUWORW-MRXNPFEDSA-N -1 0 344.411 3.249 20 30 EGEDRM O=C([O-])CCOc1cccc(C=NN[C@@H]2CCc3c2cccc3F)c1 ZINC000835019676 1293189594 /nfs/dbraw/zinc/18/95/94/1293189594.db2.gz FLDQUMXWEBMBGF-GOSISDBHSA-N -1 0 342.370 3.290 20 30 EGEDRM Cc1nc2ccccc2cc1C([O-])=C(C#N)C(=O)NC1CCCCC1 ZINC000835061227 1293195813 /nfs/dbraw/zinc/19/58/13/1293195813.db2.gz JZUMMJIXXVXRIA-KRWDZBQOSA-N -1 0 335.407 3.315 20 30 EGEDRM Cc1ccc(C([O-])=C(C#N)C(=O)NC(C)C)cc1Oc1ccncc1 ZINC000115905016 1293196384 /nfs/dbraw/zinc/19/63/84/1293196384.db2.gz NWEAGYSWDLHYGX-MRXNPFEDSA-N -1 0 337.379 3.029 20 30 EGEDRM Cc1sc(-c2ccco2)nc1C([O-])=C(C#N)C(=O)NC1CCCC1 ZINC000119869731 1293291392 /nfs/dbraw/zinc/29/13/92/1293291392.db2.gz KGBRQWFYBJZCML-LBPRGKRZSA-N -1 0 343.408 3.093 20 30 EGEDRM Cc1ccc(-c2nc(C([O-])=C(C#N)C(=O)NC3CCCC3)cs2)o1 ZINC000119912769 1293294588 /nfs/dbraw/zinc/29/45/88/1293294588.db2.gz DNCOTHCZDSYAMV-GFCCVEGCSA-N -1 0 343.408 3.093 20 30 EGEDRM CC(C)(C)c1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccn2)s1 ZINC000122124264 1293402034 /nfs/dbraw/zinc/40/20/34/1293402034.db2.gz RFABHZQSQIXOAB-LLVKDONJSA-N -1 0 327.409 3.402 20 30 EGEDRM CC(C)(C#N)c1ccc(C(=O)[N-]S(=O)(=O)CCC2CCCC2)cc1 ZINC000835949910 1293409234 /nfs/dbraw/zinc/40/92/34/1293409234.db2.gz KCNQTGGESPCNJP-UHFFFAOYSA-N -1 0 348.468 3.128 20 30 EGEDRM C=CCO[N-]C(=O)C(=O)Nc1cccc(Cl)c1SC(C)C ZINC000835971397 1293412733 /nfs/dbraw/zinc/41/27/33/1293412733.db2.gz ISSRUVFVLQTQGY-UHFFFAOYSA-N -1 0 328.821 3.013 20 30 EGEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc(Oc2ccccc2)o1 ZINC000122914081 1293428313 /nfs/dbraw/zinc/42/83/13/1293428313.db2.gz PISVOIWYBOXJLO-CYBMUJFWSA-N -1 0 335.319 3.011 20 30 EGEDRM C[C@@H](Sc1ccccc1Cl)C(=O)C(C#N)=C([O-])c1nccn1C ZINC000123210653 1293436556 /nfs/dbraw/zinc/43/65/56/1293436556.db2.gz PLTMLCFMXMFKDK-MNOVXSKESA-N -1 0 347.827 3.146 20 30 EGEDRM Cc1ccc(-c2cncc(C([O-])=C(C#N)C(=O)NC3CCCC3)c2)cc1 ZINC000124599181 1293480114 /nfs/dbraw/zinc/48/01/14/1293480114.db2.gz KTUUHYBWWAMKGZ-IBGZPJMESA-N -1 0 347.418 3.438 20 30 EGEDRM COC(=O)[C@@H](C)Oc1ccc(/C=C/C(=O)c2ccc([O-])c(F)c2)cc1 ZINC000125477688 1293508690 /nfs/dbraw/zinc/50/86/90/1293508690.db2.gz IBEJOZHNKGTEOZ-BIPYJSMBSA-N -1 0 344.338 3.368 20 30 EGEDRM N#CC(C(=O)NC1CC1)=C([O-])c1csc(-c2cccc(Cl)c2)n1 ZINC000129442048 1293624385 /nfs/dbraw/zinc/62/43/85/1293624385.db2.gz IRPHXCASULXQCZ-LBPRGKRZSA-N -1 0 345.811 3.065 20 30 EGEDRM CC(C)NC(=O)C(C#N)=C([O-])c1csc(-c2ccc(Cl)cc2)n1 ZINC000130737397 1293667861 /nfs/dbraw/zinc/66/78/61/1293667861.db2.gz CXFHHVKWWWULOZ-GFCCVEGCSA-N -1 0 347.827 3.311 20 30 EGEDRM CNC(=O)C(C#N)=C([O-])c1ccc(-c2nc3ccccc3s2)s1 ZINC000133217065 1293739947 /nfs/dbraw/zinc/73/99/47/1293739947.db2.gz DBDROJSMLBKWES-SECBINFHSA-N -1 0 341.417 3.093 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)C(=O)NCc2ccccc2)ccc1Cl ZINC000151587366 1293931255 /nfs/dbraw/zinc/93/12/55/1293931255.db2.gz NWKJZXIKFAWQAR-OAHLLOKOSA-N -1 0 326.783 3.287 20 30 EGEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1ccc(-c2ccccc2)[nH]1 ZINC000171796873 1294417833 /nfs/dbraw/zinc/41/78/33/1294417833.db2.gz XMRSSGWTKZTXMW-KRWDZBQOSA-N -1 0 343.386 3.321 20 30 EGEDRM Cc1cc(C(=O)Nc2cc(C#N)ccc2[O-])c(C)n1-c1ccccn1 ZINC000176392570 1294604539 /nfs/dbraw/zinc/60/45/39/1294604539.db2.gz HSUJUYQYTNQEMY-UHFFFAOYSA-N -1 0 332.363 3.319 20 30 EGEDRM COc1cc(/C=C2/Cc3ccc(F)cc3C2=O)cc([N+](=O)[O-])c1[O-] ZINC000176409853 1294605756 /nfs/dbraw/zinc/60/57/56/1294605756.db2.gz DFRBKNAYNKIPHI-WCIBSUBMSA-N -1 0 329.283 3.271 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cnc2ccc(F)cc2c1 ZINC000179604328 1294807783 /nfs/dbraw/zinc/80/77/83/1294807783.db2.gz PXBPRDNUWVSDIX-MRXNPFEDSA-N -1 0 341.386 3.393 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)c1cccc(OCc2cccs2)c1 ZINC000191251565 1295661429 /nfs/dbraw/zinc/66/14/29/1295661429.db2.gz XUYSIVVHSSPMDV-UHFFFAOYSA-N -1 0 331.393 3.040 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)CCc1ccc(-c2ccccc2F)o1 ZINC000191269830 1295663474 /nfs/dbraw/zinc/66/34/74/1295663474.db2.gz FGCRTVULXFYMGO-UHFFFAOYSA-N -1 0 331.343 3.118 20 30 EGEDRM CCCc1ccc(C([O-])=C(C#N)C(=O)NCc2ccccc2)s1 ZINC000870135696 1295693534 /nfs/dbraw/zinc/69/35/34/1295693534.db2.gz BQCCGEBQHHIQCE-OAHLLOKOSA-N -1 0 326.421 3.339 20 30 EGEDRM CNC(=O)C(C#N)=C([O-])c1sc2cc(Cl)ccc2c1Cl ZINC000193638604 1295894132 /nfs/dbraw/zinc/89/41/32/1295894132.db2.gz RUGUXDCGSOQEME-MRVPVSSYSA-N -1 0 327.192 3.277 20 30 EGEDRM C=CCn1c(=O)c2ccc(C(=O)N[C@H](C)[C@H](C)CC)cc2[n-]c1=S ZINC000194675142 1295998955 /nfs/dbraw/zinc/99/89/55/1295998955.db2.gz LOXXPXIWKXEBQX-VXGBXAGGSA-N -1 0 345.468 3.036 20 30 EGEDRM Cc1ncc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)s1 ZINC000194680496 1296000421 /nfs/dbraw/zinc/00/04/21/1296000421.db2.gz IWFYYTMLNMWAGB-SECBINFHSA-N -1 0 337.763 3.205 20 30 EGEDRM COc1ccc(C(=O)/C=C\c2ccc(OCC(=O)[O-])cc2)cc1F ZINC000208461481 1296097545 /nfs/dbraw/zinc/09/75/45/1296097545.db2.gz FIAABJCISVDBAD-YWEYNIOJSA-N -1 0 330.311 3.194 20 30 EGEDRM O=C([O-])CCOc1cccc(/C=C\C(=O)c2ccc3c(c2)OCO3)c1 ZINC000208115894 1296097909 /nfs/dbraw/zinc/09/79/09/1296097909.db2.gz XGOCDIUWAGQLFB-XQRVVYSFSA-N -1 0 340.331 3.165 20 30 EGEDRM COC(=O)N(C)c1ccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000255569252 1296549237 /nfs/dbraw/zinc/54/92/37/1296549237.db2.gz OKGXXTPLVSQVDF-UHFFFAOYSA-N -1 0 329.312 3.254 20 30 EGEDRM O=C1c2cc(F)cc(F)c2OC/C1=C\c1ccc([O-])c([N+](=O)[O-])c1 ZINC000255895577 1296576572 /nfs/dbraw/zinc/57/65/72/1296576572.db2.gz HGLDMJUZIOZGEP-YCRREMRBSA-N -1 0 333.246 3.237 20 30 EGEDRM C=CCC[C@H](NC(=O)C1(c2cccc(C(F)(F)F)c2)CC1)C(=O)[O-] ZINC000262813302 1296648777 /nfs/dbraw/zinc/64/87/77/1296648777.db2.gz DOLGXSUYBMMISQ-ZDUSSCGKSA-N -1 0 341.329 3.273 20 30 EGEDRM C=CCC[C@@H](NC(=O)c1ccccc1CCC(F)(F)F)C(=O)[O-] ZINC000263520630 1296688562 /nfs/dbraw/zinc/68/85/62/1296688562.db2.gz HBLBVTCAEZFYJW-CYBMUJFWSA-N -1 0 329.318 3.331 20 30 EGEDRM C=CCC[C@@H](NC(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000263524227 1296689144 /nfs/dbraw/zinc/68/91/44/1296689144.db2.gz IWTZLWGMIGUAMC-NEPJUHHUSA-N -1 0 333.281 3.252 20 30 EGEDRM C=CCC[C@@H](NC(=O)Nc1ccc(Br)cc1C)C(=O)[O-] ZINC000316213698 1297140621 /nfs/dbraw/zinc/14/06/21/1297140621.db2.gz ZSKAOGNZXVICLD-GFCCVEGCSA-N -1 0 341.205 3.298 20 30 EGEDRM Cn1ncc2c1nc(N=NC1CCC[C@H](C(C)(C)C)CC1)[n-]c2=O ZINC000746575452 1298616387 /nfs/dbraw/zinc/61/63/87/1298616387.db2.gz HIVGJJGYVLCPCZ-NSHDSACASA-N -1 0 330.436 3.463 20 30 EGEDRM COc1cc(NC(C)=O)ccc1C(C)=NNc1ccc(C(=O)[O-])cc1 ZINC000747736236 1298849808 /nfs/dbraw/zinc/84/98/08/1298849808.db2.gz NRSAXKPQJWBRNZ-UHFFFAOYSA-N -1 0 341.367 3.188 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)CNc2cccc(C(F)(F)F)c2)c1 ZINC000748410349 1299002750 /nfs/dbraw/zinc/00/27/50/1299002750.db2.gz HWOSSLHRFXSXMV-UHFFFAOYSA-N -1 0 335.285 3.333 20 30 EGEDRM N#C[C@H]([N-]C(=O)C(F)(F)C(F)F)c1cccc(C(F)(F)F)c1 ZINC000749386919 1299205585 /nfs/dbraw/zinc/20/55/85/1299205585.db2.gz VKGBYLANHCLYNP-QMMMGPOBSA-N -1 0 328.187 3.287 20 30 EGEDRM N#C[C@H]([N-]C(=O)C(F)(F)C(F)F)c1ccccc1Br ZINC000749389932 1299206180 /nfs/dbraw/zinc/20/61/80/1299206180.db2.gz QKDWYNULYSRGRC-QMMMGPOBSA-N -1 0 339.086 3.030 20 30 EGEDRM COc1cc(/C=C2/Cc3c(c(F)ccc3F)C2=O)cc([N+](=O)[O-])c1[O-] ZINC000749582926 1299240166 /nfs/dbraw/zinc/24/01/66/1299240166.db2.gz SQCCASSASPACAJ-WTKPLQERSA-N -1 0 347.273 3.410 20 30 EGEDRM Cc1ccccc1C1N=NC(=S)N1N=Cc1cc(F)c([O-])c(F)c1 ZINC000749854227 1299287437 /nfs/dbraw/zinc/28/74/37/1299287437.db2.gz IXZSAZFOAUJNPX-UHFFFAOYSA-N -1 0 346.362 3.408 20 30 EGEDRM O=C([N-]CCCN[C@@H](c1ccc(F)cc1)C(F)(F)F)C(F)(F)F ZINC000753830616 1300025802 /nfs/dbraw/zinc/02/58/02/1300025802.db2.gz WQTLHVQAAYYBKH-JTQLQIEISA-N -1 0 346.246 3.087 20 30 EGEDRM COc1cc(/C=C\C(=O)c2cc(F)cc(F)c2)ccc1OCC(=O)[O-] ZINC000755707403 1300382714 /nfs/dbraw/zinc/38/27/14/1300382714.db2.gz ZIHGFUCPYUGUAM-RQOWECAXSA-N -1 0 348.301 3.333 20 30 EGEDRM CC(=NNc1ccc(C(=O)[O-])cc1)c1ncc(Br)s1 ZINC000756872198 1300582814 /nfs/dbraw/zinc/58/28/14/1300582814.db2.gz FMUUPEVOGGLKCB-UHFFFAOYSA-N -1 0 340.202 3.440 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1NN=C(C)c1cc(F)cc(F)c1O ZINC000756901750 1300585855 /nfs/dbraw/zinc/58/58/55/1300585855.db2.gz ZSMUHGDLRZOYNL-UHFFFAOYSA-N -1 0 336.294 3.213 20 30 EGEDRM COc1ccc(C(=O)/C=C/c2cc(OC)c(O)c(OC)c2)c([O-])c1 ZINC000757473269 1300675166 /nfs/dbraw/zinc/67/51/66/1300675166.db2.gz UYVBXININWZZMS-QPJJXVBHSA-N -1 0 330.336 3.020 20 30 EGEDRM CCCC(C)=CC(=O)C(C#N)=C([O-])c1c(C)[nH]c(C)c1C(=O)OCC ZINC000759240780 1301048022 /nfs/dbraw/zinc/04/80/22/1301048022.db2.gz UARDBXXSACLVRY-CFRMROPGSA-N -1 0 344.411 3.446 20 30 EGEDRM N#Cc1ccc(OCCCOC(=O)c2cc(F)c([O-])c(F)c2)cc1 ZINC000759547374 1301112272 /nfs/dbraw/zinc/11/22/72/1301112272.db2.gz ZIWUTVYCNXEQBN-UHFFFAOYSA-N -1 0 333.290 3.168 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)CN[C@@H](c2ccccc2)C(F)(F)F)c1 ZINC000759712889 1301147133 /nfs/dbraw/zinc/14/71/33/1301147133.db2.gz BOUORKDFRZTDLR-INIZCTEOSA-N -1 0 349.312 3.096 20 30 EGEDRM CCC(N=Nc1nc(-c2ccncc2)no1)c1ccc(C(=O)[O-])cc1 ZINC000760249830 1301239987 /nfs/dbraw/zinc/23/99/87/1301239987.db2.gz ZGCODBHDVIBVGI-UHFFFAOYSA-N -1 0 337.339 3.056 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cccc([C@H]2CCOC2)c1 ZINC000762025741 1301594477 /nfs/dbraw/zinc/59/44/77/1301594477.db2.gz VIVDCUYCZDGDGS-ROUUACIJSA-N -1 0 342.439 3.209 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)c1cnc(-c2ccc(C)cc2C)s1 ZINC000762050292 1301600613 /nfs/dbraw/zinc/60/06/13/1301600613.db2.gz KYUOZVDJKVPIGE-UHFFFAOYSA-N -1 0 330.409 3.140 20 30 EGEDRM Cc1cc[nH]c2nc(C(C#N)=C([O-])C3=Cc4cc(F)ccc4OC3)nc1-2 ZINC000762064572 1301604871 /nfs/dbraw/zinc/60/48/71/1301604871.db2.gz MUBTYIFBXRTAMS-AWEZNQCLSA-N -1 0 348.337 3.058 20 30 EGEDRM CC[C@H](C#N)Oc1cccc(CNC(=O)c2cc(F)c([O-])c(F)c2)c1 ZINC000762604739 1301711833 /nfs/dbraw/zinc/71/18/33/1301711833.db2.gz JZGFLLYVOWFNNQ-CYBMUJFWSA-N -1 0 346.333 3.281 20 30 EGEDRM N#Cc1cccc(OCCCOC(=O)c2c(F)cc([O-])cc2F)c1 ZINC000763980733 1301993553 /nfs/dbraw/zinc/99/35/53/1301993553.db2.gz TZTWFOMJGLSVCE-UHFFFAOYSA-N -1 0 333.290 3.168 20 30 EGEDRM CCc1ccccc1C(=O)OCC([O-])=C(C#N)c1nc(C)cs1 ZINC000770124581 1303224566 /nfs/dbraw/zinc/22/45/66/1303224566.db2.gz LAEXUZSVKHELKT-CQSZACIVSA-N -1 0 328.393 3.047 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2cnc(C(C)C)s2)n1 ZINC000773191596 1303639928 /nfs/dbraw/zinc/63/99/28/1303639928.db2.gz DFFKQTYCPQQFFI-JTQLQIEISA-N -1 0 349.437 3.065 20 30 EGEDRM C#CCN(C(=O)c1ccc2oc(=O)nc-2[n-]1)[C@H]1CCCc2ccccc21 ZINC000887232589 1303709545 /nfs/dbraw/zinc/70/95/45/1303709545.db2.gz SJOOFZVHGXWPDX-INIZCTEOSA-N -1 0 347.374 3.081 20 30 EGEDRM C#CCOc1ccccc1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000775298470 1303936169 /nfs/dbraw/zinc/93/61/69/1303936169.db2.gz UDAFCYRIEWOJFI-UHFFFAOYSA-N -1 0 327.361 3.246 20 30 EGEDRM C#Cc1cccc(NC(=O)CN(C)Cc2cc(Cl)cc(F)c2[O-])c1 ZINC000775658656 1304006394 /nfs/dbraw/zinc/00/63/94/1304006394.db2.gz QLZKWNHWPAQBFR-UHFFFAOYSA-N -1 0 346.789 3.237 20 30 EGEDRM Cc1nnc(N=NC2CCC[C@@H]2c2ccc(OC(C)C)cc2)[n-]c1=O ZINC000776760996 1304194367 /nfs/dbraw/zinc/19/43/67/1304194367.db2.gz ZITXJHCSXJDAKM-OAHLLOKOSA-N -1 0 341.415 3.408 20 30 EGEDRM O=C([O-])c1cc(CN=Nc2nc(C(F)(F)F)cs2)ccc1O ZINC000777438208 1304296182 /nfs/dbraw/zinc/29/61/82/1304296182.db2.gz AAQLEYROCYZEKZ-UHFFFAOYSA-N -1 0 331.275 3.012 20 30 EGEDRM C=CC[C@@H](C(=O)[N-]S(=O)(=O)Cc1cccc(C)c1)c1ccccc1 ZINC000778809898 1304494582 /nfs/dbraw/zinc/49/45/82/1304494582.db2.gz FRSJIRFPMDRUDB-GOSISDBHSA-N -1 0 343.448 3.301 20 30 EGEDRM CCOc1ccc(C=Nn2c(=O)c3ccccc3[n-]c2=S)cc1F ZINC000782184064 1304927083 /nfs/dbraw/zinc/92/70/83/1304927083.db2.gz FMLTVWNBYBNLNW-UHFFFAOYSA-N -1 0 343.383 3.105 20 30 EGEDRM COc1cc(C)cc2c1OC/C(=C/c1cc(C(=O)[O-])cs1)C2=O ZINC000782199543 1304930297 /nfs/dbraw/zinc/93/02/97/1304930297.db2.gz GTQYPAHIFGAYGY-YHYXMXQVSA-N -1 0 330.361 3.422 20 30 EGEDRM CCCCCC[C@@H](C)CC(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1 ZINC000783440228 1305092461 /nfs/dbraw/zinc/09/24/61/1305092461.db2.gz KLSGLCFUKQLTON-CYBMUJFWSA-N -1 0 344.415 3.346 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)C(=O)NCc2ccc(F)cc2F)ccc1F ZINC000786557765 1305598121 /nfs/dbraw/zinc/59/81/21/1305598121.db2.gz IWWXXOSPTSXQOV-CQSZACIVSA-N -1 0 346.308 3.051 20 30 EGEDRM CCc1ccc(C([O-])=C(C#N)C(=O)NCc2ccc(F)c(F)c2)s1 ZINC000786572295 1305602804 /nfs/dbraw/zinc/60/28/04/1305602804.db2.gz XBUINMLROMEMDO-GFCCVEGCSA-N -1 0 348.374 3.228 20 30 EGEDRM C=CC[C@H](C(=O)[N-]S(=O)(=O)c1ccccc1CC)c1ccccc1 ZINC000786643516 1305613644 /nfs/dbraw/zinc/61/36/44/1305613644.db2.gz OCJZMQRJRWGALK-KRWDZBQOSA-N -1 0 343.448 3.414 20 30 EGEDRM C=CCS(=O)(=O)[N-]C(=O)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC000788369682 1305930132 /nfs/dbraw/zinc/93/01/32/1305930132.db2.gz ZBNLDAISBVLGNP-AWEZNQCLSA-N -1 0 345.420 3.072 20 30 EGEDRM Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C/c1cn3cc(C)ccc3n1)CC2 ZINC000789127357 1306095540 /nfs/dbraw/zinc/09/55/40/1306095540.db2.gz JDJINNIEIXKEMJ-KPKJPENVSA-N -1 0 336.347 3.455 20 30 EGEDRM FC(F)(F)c1n[n-]c(=S)n1N=Cc1ccc(OCC2CC2)cc1 ZINC000790148011 1306268130 /nfs/dbraw/zinc/26/81/30/1306268130.db2.gz OWTUBJFSCBPAQD-UHFFFAOYSA-N -1 0 342.346 3.257 20 30 EGEDRM Cc1nn(C)c(/C=C\C(=O)c2ccc([O-])c(F)c2)c1Br ZINC000790600988 1306357695 /nfs/dbraw/zinc/35/76/95/1306357695.db2.gz PSJASAJMFKEDHV-XQRVVYSFSA-N -1 0 339.164 3.232 20 30 EGEDRM N#C[C@@]1(F)CCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000894532010 1308941494 /nfs/dbraw/zinc/94/14/94/1308941494.db2.gz HEWXIQZHENNZDI-LBPRGKRZSA-N -1 0 333.588 3.246 20 30 EGEDRM COC(=O)C[C@@H]1CCC(N=Nc2ccc(Cl)c(C(=O)[O-])c2)[C@@H]1C ZINC000794453094 1309529442 /nfs/dbraw/zinc/52/94/42/1309529442.db2.gz JJFPWTLCKMUZRF-ZJUUUORDSA-N -1 0 338.791 3.415 20 30 EGEDRM CCCCCCC[C@H](CC(=O)[O-])NS(=O)(=O)c1ccsc1 ZINC000794763628 1309589877 /nfs/dbraw/zinc/58/98/77/1309589877.db2.gz HUBJXQNYVGYUGE-GFCCVEGCSA-N -1 0 333.475 3.230 20 30 EGEDRM COCCN(C)N=C(C)c1cc(Br)cc(Cl)c1[O-] ZINC000794963749 1309634589 /nfs/dbraw/zinc/63/45/89/1309634589.db2.gz JQMFGWBGRICBIH-UHFFFAOYSA-N -1 0 335.629 3.110 20 30 EGEDRM O=C([O-])COc1cccc(C(=O)/C=C/c2c(F)ccc(O)c2F)c1 ZINC000794933607 1309624203 /nfs/dbraw/zinc/62/42/03/1309624203.db2.gz JYZGTCXBYYBJMZ-GQCTYLIASA-N -1 0 334.274 3.030 20 30 EGEDRM Cc1c(C(=O)[O-])oc2c1C(=NNCc1ccccc1N(C)C)CCC2 ZINC000794948903 1309630241 /nfs/dbraw/zinc/63/02/41/1309630241.db2.gz HGAPXGLOKDZTLU-UHFFFAOYSA-N -1 0 341.411 3.182 20 30 EGEDRM COc1cc(/C=C2\CCc3ccc(O)cc3C2=O)cc([N+](=O)[O-])c1[O-] ZINC000794960012 1309633574 /nfs/dbraw/zinc/63/35/74/1309633574.db2.gz ILAVAJGHFUQQRD-WUXMJOGZSA-N -1 0 341.319 3.227 20 30 EGEDRM COc1cc2c(cc1OC)C(=O)/C(=C\c1cc(C(=O)[O-])cs1)C2 ZINC000794960773 1309633889 /nfs/dbraw/zinc/63/38/89/1309633889.db2.gz HWNMVLUJXNUFNM-WMZJFQQLSA-N -1 0 330.361 3.286 20 30 EGEDRM C=CCC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000796711487 1310070954 /nfs/dbraw/zinc/07/09/54/1310070954.db2.gz JYXFDLWTYQSSMA-UHFFFAOYSA-N -1 0 335.347 3.113 20 30 EGEDRM CC[C@H]1CC[C@H](C)CC1=NNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000797402293 1310183824 /nfs/dbraw/zinc/18/38/24/1310183824.db2.gz YJNJHWPACYEOCH-RYUDHWBXSA-N -1 0 339.417 3.075 20 30 EGEDRM Cc1cc(O)cc2c1C(=O)C(=N[N-]c1ncnc(Cl)c1C(C)C)O2 ZINC000797405056 1310185369 /nfs/dbraw/zinc/18/53/69/1310185369.db2.gz VKNWKCXNUQUWJS-UHFFFAOYSA-N -1 0 346.774 3.268 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)N[C@H](C)c1ccccc1C(F)(F)F ZINC000797727945 1310237847 /nfs/dbraw/zinc/23/78/47/1310237847.db2.gz VDSFYDVOCWIOAE-SNVBAGLBSA-N -1 0 330.306 3.049 20 30 EGEDRM N#Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000798210854 1310318456 /nfs/dbraw/zinc/31/84/56/1310318456.db2.gz MQWWUVMXXJGTNE-UHFFFAOYSA-N -1 0 328.180 3.061 20 30 EGEDRM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc(Cl)nc3C)nc1-2 ZINC000802094282 1316979084 /nfs/dbraw/zinc/97/90/84/1316979084.db2.gz PTSGEBPEBVIKNY-NSHDSACASA-N -1 0 325.759 3.113 20 30 EGEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1coc(C2CC2)n1)c1ccccc1 ZINC000802219481 1316990249 /nfs/dbraw/zinc/99/02/49/1316990249.db2.gz XXHGSOYISLFUIM-GJZGRUSLSA-N -1 0 337.379 3.142 20 30 EGEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1cccc(N(C)C)c1)c1ccccc1 ZINC000802219253 1316990352 /nfs/dbraw/zinc/99/03/52/1316990352.db2.gz ULCGYPNJUZUQMP-OALUTQOASA-N -1 0 349.434 3.343 20 30 EGEDRM CCCc1nc(C([O-])=C(C#N)C(=O)N[C@H](CC)c2ccccc2)co1 ZINC000802218356 1316990504 /nfs/dbraw/zinc/99/05/04/1316990504.db2.gz BVLQXXMJLKLDLP-HUUCEWRRSA-N -1 0 339.395 3.217 20 30 EGEDRM CC(C)c1cccc2c1OCC/C(=C/c1cc(C(=O)[O-])nn1C)C2=O ZINC000899363741 1317001607 /nfs/dbraw/zinc/00/16/07/1317001607.db2.gz GNTLXDWECPWEBJ-XFXZXTDPSA-N -1 0 340.379 3.291 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)Nc1ccc(N2CCCCCC2)cc1C ZINC000900348563 1317279682 /nfs/dbraw/zinc/27/96/82/1317279682.db2.gz AKUBVXVLHCDKPE-UHFFFAOYSA-N -1 0 345.443 3.480 20 30 EGEDRM CC(C)n1cncc1/C=C\C(=O)c1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000901468889 1317432342 /nfs/dbraw/zinc/43/23/42/1317432342.db2.gz OYGYHAZHRODQEV-MEJMFZKBSA-N -1 0 328.368 3.212 20 30 EGEDRM CC(C)N(C)c1ccc(/C=C2\CCc3occ(C(=O)[O-])c3C2=O)cn1 ZINC000901516776 1317437436 /nfs/dbraw/zinc/43/74/36/1317437436.db2.gz VXQSAHPFGIOLMX-MDWZMJQESA-N -1 0 340.379 3.430 20 30 EGEDRM O=C([O-])c1coc2c1C(=O)/C(=C/c1cccc3c1OCCCO3)CC2 ZINC000901518242 1317438797 /nfs/dbraw/zinc/43/87/97/1317438797.db2.gz WCUUZEAAOZUSFQ-PKNBQFBNSA-N -1 0 340.331 3.352 20 30 EGEDRM C=CCC[C@@H](C)Nc1ccc(C(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000901696610 1317464342 /nfs/dbraw/zinc/46/43/42/1317464342.db2.gz NVLGOICNPVQKPX-CQSZACIVSA-N -1 0 330.428 3.390 20 30 EGEDRM O=C([O-])CCOc1cccc(CN=Nc2nccnc2C2CCC2)c1 ZINC000807992496 1317608617 /nfs/dbraw/zinc/60/86/17/1317608617.db2.gz GWIQAOKUAODUEV-UHFFFAOYSA-N -1 0 340.383 3.044 20 30 EGEDRM N#Cc1ccnc(NCc2cc(Cl)cc(Cl)c2[O-])c1[N+](=O)[O-] ZINC000808087400 1317621870 /nfs/dbraw/zinc/62/18/70/1317621870.db2.gz SXTVYMZYRDDXPT-UHFFFAOYSA-N -1 0 339.138 3.486 20 30 EGEDRM Cc1cc(C#N)cc([N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)n1 ZINC000903141740 1317663078 /nfs/dbraw/zinc/66/30/78/1317663078.db2.gz WTUHWQAGZBUIAR-UHFFFAOYSA-N -1 0 335.454 3.422 20 30 EGEDRM COc1ccc2c(c1)C(=O)/C(=C\c1ccc(O)c(C(=O)[O-])c1)CS2 ZINC000809155999 1317775787 /nfs/dbraw/zinc/77/57/87/1317775787.db2.gz BAOLFFVZTRGLGP-WDZFZDKYSA-N -1 0 342.372 3.471 20 30 EGEDRM COc1ccc2c(c1F)C/C(=C/c1ccc([O-])c([N+](=O)[O-])c1)C2=O ZINC000809156114 1317775942 /nfs/dbraw/zinc/77/59/42/1317775942.db2.gz JCANWNVTNGYYMN-POHAHGRESA-N -1 0 329.283 3.271 20 30 EGEDRM O=C([O-])c1cc(/C=C/C(=O)c2cnn(Cc3ccccc3)c2)ccc1O ZINC000809156783 1317776902 /nfs/dbraw/zinc/77/69/02/1317776902.db2.gz FRNFSJHIOMUBEN-SOFGYWHQSA-N -1 0 348.358 3.231 20 30 EGEDRM N#CC(=C([O-])c1nnc2ccccc2n1)c1nc2cc(F)ccc2s1 ZINC000810577091 1318026079 /nfs/dbraw/zinc/02/60/79/1318026079.db2.gz ZLBGGHSHIRMACO-SNVBAGLBSA-N -1 0 349.350 3.264 20 30 EGEDRM C#CCC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000810580459 1318026810 /nfs/dbraw/zinc/02/68/10/1318026810.db2.gz HOCMPXMLTBLKND-UHFFFAOYSA-N -1 0 341.432 3.208 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2ccc(C)c(C)c2Cl)CC1 ZINC000810984806 1318086475 /nfs/dbraw/zinc/08/64/75/1318086475.db2.gz OGAPPVOIWMTCTH-UHFFFAOYSA-N -1 0 327.833 3.125 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)C(C)(C)c2ccc(Cl)cc2)CC1 ZINC000810982350 1318086633 /nfs/dbraw/zinc/08/66/33/1318086633.db2.gz PARCRMHPWABILR-UHFFFAOYSA-N -1 0 341.860 3.172 20 30 EGEDRM N#Cc1sccc1C(=O)N1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC000906992845 1318173200 /nfs/dbraw/zinc/17/32/00/1318173200.db2.gz ZVLPFOHASGTULK-UHFFFAOYSA-N -1 0 340.404 3.060 20 30 EGEDRM CC(=NN[C@H](C)COc1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000811667563 1318224791 /nfs/dbraw/zinc/22/47/91/1318224791.db2.gz XZAYUXTYYAMJGG-GFCCVEGCSA-N -1 0 329.356 3.082 20 30 EGEDRM C#CCOc1cccc(NC(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC000811816455 1318273152 /nfs/dbraw/zinc/27/31/52/1318273152.db2.gz ABBXRKOWHVXILL-UHFFFAOYSA-N -1 0 329.739 3.303 20 30 EGEDRM C=CCCC(=O)[C@@H]1CCCN1C(=O)CCCc1ccc(O)c(F)c1 ZINC000908659053 1318383490 /nfs/dbraw/zinc/38/34/90/1318383490.db2.gz IWERNSTYAQAQOX-INIZCTEOSA-N -1 0 333.403 3.380 20 30 EGEDRM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C1(C(=O)[O-])CCCC1 ZINC000911746287 1318764979 /nfs/dbraw/zinc/76/49/79/1318764979.db2.gz HDWFGCQTCNIBOL-UHFFFAOYSA-N -1 0 333.432 3.014 20 30 EGEDRM O=C([O-])c1cccc(NN=C2COc3ccc(Br)cc32)c1 ZINC000814687165 1318800915 /nfs/dbraw/zinc/80/09/15/1318800915.db2.gz AOJRHDKCGNHVIG-UHFFFAOYSA-N -1 0 347.168 3.356 20 30 EGEDRM C[C@@H]1C(=NNC(=S)N[C@H]2CCC[C@@H](C)[C@@H]2C)CC[C@@H]1CC(=O)[O-] ZINC000814758402 1318810417 /nfs/dbraw/zinc/81/04/17/1318810417.db2.gz AJBSVAPKBKLUAE-HTOAHKCRSA-N -1 0 339.505 3.152 20 30 EGEDRM C[C@@H]1C(N=Nc2nc(-c3ccncc3)no2)CC[C@@H](C(=O)[O-])C1(C)C ZINC000814827321 1318825345 /nfs/dbraw/zinc/82/53/45/1318825345.db2.gz FCSONCDSAJBOAP-PWSUYJOCSA-N -1 0 343.387 3.056 20 30 EGEDRM O=C([O-])C1(c2ccccc2)CC(N=Nc2cnnc3ccccc23)C1 ZINC000814848990 1318831382 /nfs/dbraw/zinc/83/13/82/1318831382.db2.gz BZHWKLPFUOPFHW-UHFFFAOYSA-N -1 0 332.363 3.214 20 30 EGEDRM CCN(CC)c1ccnc(N=NC2CC[C@@H](C(=O)[O-])C(C)(C)[C@H]2C)n1 ZINC000814872449 1318835362 /nfs/dbraw/zinc/83/53/62/1318835362.db2.gz XEAOWKNMULIWLU-STQMWFEESA-N -1 0 347.463 3.248 20 30 EGEDRM CC(CCc1ccc(O[C@H](C)C(=O)[O-])cc1)=NOCC(F)(F)F ZINC000814879883 1318837450 /nfs/dbraw/zinc/83/74/50/1318837450.db2.gz IZPJFYVCTAWQDV-LLVKDONJSA-N -1 0 333.306 3.426 20 30 EGEDRM CC(=NNCCOC(C)C)c1oc2cc(C)ccc2c1CC(=O)[O-] ZINC000814897531 1318843116 /nfs/dbraw/zinc/84/31/16/1318843116.db2.gz QWBYHSBOHVMQRD-UHFFFAOYSA-N -1 0 332.400 3.107 20 30 EGEDRM CC(CCc1ccc(OCCC(=O)[O-])cc1)=NNCC(F)(F)F ZINC000814904569 1318844692 /nfs/dbraw/zinc/84/46/92/1318844692.db2.gz PABJXZSWKWIANA-UHFFFAOYSA-N -1 0 332.322 3.001 20 30 EGEDRM C[C@H](CCc1ccc2c(c1)OCO2)NN=C1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000814924518 1318850466 /nfs/dbraw/zinc/85/04/66/1318850466.db2.gz PTKNEOLCNLYTBX-ZENOOKHLSA-N -1 0 346.427 3.203 20 30 EGEDRM CC[C@H](NN=C(C)c1sc(-c2ccccc2F)nc1C)C(=O)[O-] ZINC000814936952 1318853780 /nfs/dbraw/zinc/85/37/80/1318853780.db2.gz PCLJWUFSVCQEGL-ZDUSSCGKSA-N -1 0 335.404 3.434 20 30 EGEDRM C[C@@H]1C(N=Nc2nnc(-c3ccccc3)s2)CC[C@@H]1CC(=O)[O-] ZINC000814946457 1318857273 /nfs/dbraw/zinc/85/72/73/1318857273.db2.gz JELLXTNZQOIHSS-CMPLNLGQSA-N -1 0 330.413 3.494 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])cc1CN=Nc1nnc(-c2ccccc2)s1 ZINC000814947422 1318857292 /nfs/dbraw/zinc/85/72/92/1318857292.db2.gz QVJRWBYNAWKAKY-UHFFFAOYSA-N -1 0 341.352 3.265 20 30 EGEDRM Cc1ccc(Sc2ccc(C=NNCC(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000814958448 1318860398 /nfs/dbraw/zinc/86/03/98/1318860398.db2.gz SZJXKWQYDPZKGL-UHFFFAOYSA-N -1 0 345.380 3.063 20 30 EGEDRM CCc1nc(C)c(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)o1 ZINC000815908887 1319072683 /nfs/dbraw/zinc/07/26/83/1319072683.db2.gz MBSILLOKQXXFLQ-JTQLQIEISA-N -1 0 349.749 3.299 20 30 EGEDRM CC(C)[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CCCCCC#N ZINC000816109771 1319103153 /nfs/dbraw/zinc/10/31/53/1319103153.db2.gz LLKZBAWVSVOKRU-KRWDZBQOSA-N -1 0 336.457 3.304 20 30 EGEDRM CC(=NNC(=S)Nc1ccc(C)cc1)c1ccc(CC(=O)[O-])cc1 ZINC000915937603 1319566646 /nfs/dbraw/zinc/56/66/46/1319566646.db2.gz UHKTXMSUEPSVDD-UHFFFAOYSA-N -1 0 341.436 3.333 20 30 EGEDRM Cc1ccc(/C=C\C(=O)c2cccc(OCC(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000916157725 1319612548 /nfs/dbraw/zinc/61/25/48/1319612548.db2.gz TUPDEMUUNNJHCS-FPLPWBNLSA-N -1 0 341.319 3.263 20 30 EGEDRM Cc1cc(C)nc([N-]N=C2c3ccccc3N(CCC(C)C)C2=O)n1 ZINC000916241621 1319625229 /nfs/dbraw/zinc/62/52/29/1319625229.db2.gz BZBMFYSGZCDIGP-UHFFFAOYSA-N -1 0 337.427 3.302 20 30 EGEDRM COc1cc2c(cc1C=NNc1ccc(C(=O)[O-])cc1)O[C@H](C)C2 ZINC000916540847 1319668728 /nfs/dbraw/zinc/66/87/28/1319668728.db2.gz UAQFYQYXWRLECM-LLVKDONJSA-N -1 0 326.352 3.163 20 30 EGEDRM C=CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C)ccc1C ZINC000916616801 1319684832 /nfs/dbraw/zinc/68/48/32/1319684832.db2.gz PWWYIENPWVDWLL-UHFFFAOYSA-N -1 0 345.420 3.447 20 30 EGEDRM CC(C)OCc1ccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)cc1 ZINC000916895172 1319721772 /nfs/dbraw/zinc/72/17/72/1319721772.db2.gz GJHCFQYAWHPHDC-GOSISDBHSA-N -1 0 342.439 3.383 20 30 EGEDRM COc1cc(/C=C\C(=O)c2ccc(C)s2)ccc1OCC(=O)[O-] ZINC000917042642 1319742581 /nfs/dbraw/zinc/74/25/81/1319742581.db2.gz CMELWRXGUKJARN-XQRVVYSFSA-N -1 0 332.377 3.425 20 30 EGEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)CCC(C)C ZINC000917505854 1319823294 /nfs/dbraw/zinc/82/32/94/1319823294.db2.gz QYXDCTXTCMGDOX-ZDUSSCGKSA-N -1 0 332.400 3.136 20 30 EGEDRM C=CCC1(C(=O)OCC([O-])=C(C#N)c2nc(C)cs2)CCCC1 ZINC000838279068 1320753252 /nfs/dbraw/zinc/75/32/52/1320753252.db2.gz GDENQFWZCVQRBR-ZDUSSCGKSA-N -1 0 332.425 3.308 20 30 EGEDRM C#CCCCNC(=O)C[C@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000840726214 1321136116 /nfs/dbraw/zinc/13/61/16/1321136116.db2.gz LUICCTRSVQFJED-INIZCTEOSA-N -1 0 342.222 3.255 20 30 EGEDRM COCCCON=Cc1cccc(O[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000842532912 1321399805 /nfs/dbraw/zinc/39/98/05/1321399805.db2.gz IDHHCLIKUPKUIT-GOSISDBHSA-N -1 0 343.379 3.278 20 30 EGEDRM CO[C@H](CS(=O)(=O)[N-]c1cc2ccccc2cc1C#N)C(C)C ZINC000842814257 1321435263 /nfs/dbraw/zinc/43/52/63/1321435263.db2.gz APFPJRZAWQJMAX-QGZVFWFLSA-N -1 0 332.425 3.124 20 30 EGEDRM CCOC(=O)[C@@H]1CCC(N=Nc2cccc(C(=O)[O-])c2C)[C@H](C)C1 ZINC000844622950 1321626533 /nfs/dbraw/zinc/62/65/33/1321626533.db2.gz GGCHCMXREQZCGD-DGCLKSJQSA-N -1 0 332.400 3.460 20 30 EGEDRM C=C(C)CO[N-]C(=O)C(=O)Nc1cccc(CSC(C)C)c1C ZINC000846149456 1321771967 /nfs/dbraw/zinc/77/19/67/1321771967.db2.gz NGUMEWRGBNBUBI-UHFFFAOYSA-N -1 0 336.457 3.199 20 30 EGEDRM C=C[C@@H](C)O[N-]C(=O)[C@@H](CC(C)C)NC(=O)c1ccc(Cl)cc1 ZINC000846542244 1321792029 /nfs/dbraw/zinc/79/20/29/1321792029.db2.gz XPNTYMYBKBGLEQ-IUODEOHRSA-N -1 0 338.835 3.107 20 30 EGEDRM N#CC1(CS(=O)(=O)[N-]C(=O)c2cccc(C3CC3)c2)CCCCC1 ZINC000847682183 1321892646 /nfs/dbraw/zinc/89/26/46/1321892646.db2.gz DRPAHTQAFTWLQP-UHFFFAOYSA-N -1 0 346.452 3.098 20 30 EGEDRM COc1ccc(C(C)=NNc2ccc(CC(=O)[O-])cc2)c(C)c1OC ZINC000848414165 1321957873 /nfs/dbraw/zinc/95/78/73/1321957873.db2.gz KHHONUAKMVJWSJ-UHFFFAOYSA-N -1 0 342.395 3.475 20 30 EGEDRM C[C@H](Oc1cccc(C(=O)/C=C\c2c(C3CC3)cnn2C)c1)C(=O)[O-] ZINC000849245338 1322100775 /nfs/dbraw/zinc/10/07/75/1322100775.db2.gz HEWKEXFQBNVCJI-LAUAKBEESA-N -1 0 340.379 3.046 20 30 EGEDRM Cn1cc(/C=C\C(=O)c2ccc(C(=O)[O-])s2)c(-c2ccncc2)n1 ZINC000920065905 1322133642 /nfs/dbraw/zinc/13/36/42/1322133642.db2.gz MOGPUBWXTMIQJE-IHWYPQMZSA-N -1 0 339.376 3.138 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2ccc(C3CC3)cc2)n1 ZINC000850036970 1322187559 /nfs/dbraw/zinc/18/75/59/1322187559.db2.gz XDIHCXDQNREKKL-OAHLLOKOSA-N -1 0 340.404 3.362 20 30 EGEDRM C#CCOc1ccc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000920987607 1322240722 /nfs/dbraw/zinc/24/07/22/1322240722.db2.gz ZUKLOPIWCVWFQN-UHFFFAOYSA-N -1 0 328.755 3.496 20 30 EGEDRM N#CCCCC(=O)O[C@H]1C[C@@H]([N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000851179080 1322346277 /nfs/dbraw/zinc/34/62/77/1322346277.db2.gz PEEYDGQVDKREJU-OLZOCXBDSA-N -1 0 340.301 3.088 20 30 EGEDRM C[C@H]1CC(=NNCc2ccc(Br)cc2)CC[C@H]1C(=O)[O-] ZINC000853385476 1325087103 /nfs/dbraw/zinc/08/71/03/1325087103.db2.gz ZHFBIGXJVTWLIX-IINYFYTJSA-N -1 0 339.233 3.416 20 30 EGEDRM C=C(C)CO[N-]C(=O)C(C)(C)Oc1ccc(Br)cc1 ZINC000855026979 1325336679 /nfs/dbraw/zinc/33/66/79/1325336679.db2.gz VETDXPVGJZZXMO-UHFFFAOYSA-N -1 0 328.206 3.230 20 30 EGEDRM C=CCCO[N-]C(=O)CSc1ccc(Br)cc1C ZINC000856027863 1325439469 /nfs/dbraw/zinc/43/94/69/1325439469.db2.gz DGBYVPJUFGFVLM-UHFFFAOYSA-N -1 0 330.247 3.474 20 30 EGEDRM C=CCC[C@H](NC(=O)N(C)[C@H](COC(C)C)C(=O)[O-])c1ccccc1 ZINC000929042466 1328495306 /nfs/dbraw/zinc/49/53/06/1328495306.db2.gz FLPRWXGNMBGNFN-DLBZAZTESA-N -1 0 348.443 3.214 20 30 EGEDRM CC(C[C@@H]1CCCC(=O)N1)N=Nc1nc2ccccc2[nH]c1=S ZINC000863125050 1329529898 /nfs/dbraw/zinc/52/98/98/1329529898.db2.gz LSJBKMUCDWCBCT-NSHDSACASA-N -1 0 329.429 3.139 20 30 EGEDRM O=C([O-])Cc1ccc(/C=C2\S/C(=N/C3CCCCC3)NC2=O)cc1 ZINC000863180209 1329532358 /nfs/dbraw/zinc/53/23/58/1329532358.db2.gz HGXATVHVIOAQIM-GDNBJRDFSA-N -1 0 344.436 3.206 20 30 EGEDRM C=CCC[C@H](NC(=O)/C=C/c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000864142313 1329601614 /nfs/dbraw/zinc/60/16/14/1329601614.db2.gz GBISQRKIYANMPL-LXKVQUBZSA-N -1 0 327.302 3.254 20 30 EGEDRM O=C(c1cccc(F)c1[O-])N(CCC(F)(F)F)CC(F)(F)F ZINC000935727456 1330076480 /nfs/dbraw/zinc/07/64/80/1330076480.db2.gz XVVHGIBBMKFDCH-UHFFFAOYSA-N -1 0 333.203 3.488 20 30 EGEDRM C[C@]1(C#N)CCCN(C(=O)c2cc(Br)cc(F)c2[O-])C1 ZINC000867363717 1330196493 /nfs/dbraw/zinc/19/64/93/1330196493.db2.gz WWSJEQIDEREFPR-CQSZACIVSA-N -1 0 341.180 3.060 20 30 EGEDRM O=C([N-]Cc1cccc(C(F)F)c1)C(F)(F)OCC(F)(F)F ZINC001183195397 1387276687 /nfs/dbraw/zinc/27/66/87/1387276687.db2.gz WSNDJBFQDOWAAZ-UHFFFAOYSA-N -1 0 333.203 3.412 20 30 EGEDRM CC1(C)NC(=O)Nc2ccc(NC(=O)CCC(=O)C3=CC=C[CH]3)cc21 ZINC001184244080 1387418751 /nfs/dbraw/zinc/41/87/51/1387418751.db2.gz LZYUHTBUQFPHKE-UHFFFAOYSA-N -1 0 338.387 3.045 20 30 EGEDRM CCc1cc2c(cc1CC)CC(NC(=O)CCC(=O)C1=CC=C[CH]1)C2 ZINC001184247132 1387419313 /nfs/dbraw/zinc/41/93/13/1387419313.db2.gz HDBAVQFVULKTIW-UHFFFAOYSA-N -1 0 336.455 3.445 20 30 EGEDRM O=C(CCC(=O)C1=CC=C[CH]1)NCCc1ccccc1C(F)(F)F ZINC001184246054 1387419726 /nfs/dbraw/zinc/41/97/26/1387419726.db2.gz JBBDCKKZHHRZTF-UHFFFAOYSA-N -1 0 336.333 3.414 20 30 EGEDRM CC(C)CC[C@@H](NC(=O)CCC(=O)C1=CC=C[CH]1)C(=O)OC(C)(C)C ZINC001184246025 1387419734 /nfs/dbraw/zinc/41/97/34/1387419734.db2.gz IJJZIGRGXXFMRZ-MRXNPFEDSA-N -1 0 348.463 3.299 20 30 EGEDRM CN1CCN(c2ccc(/C=C\C(=O)c3ccccc3[O-])cc2F)CC1 ZINC001323771627 1387447156 /nfs/dbraw/zinc/44/71/56/1387447156.db2.gz NGVYXILBYHIBOT-CLFYSBASSA-N -1 0 340.398 3.179 20 30 EGEDRM Cc1ccc(S(=O)(=O)Nc2ccc([C@H](C)C#N)cc2)cc1C(=O)[O-] ZINC001184695645 1387512181 /nfs/dbraw/zinc/51/21/81/1387512181.db2.gz BQPAFKYXKKFKQD-GFCCVEGCSA-N -1 0 344.392 3.121 20 30 EGEDRM N#Cc1cccc(Cl)c1[N-]S(=O)(=O)c1cccnc1Cl ZINC001184866813 1387550460 /nfs/dbraw/zinc/55/04/60/1387550460.db2.gz DMFBMICPQKHJQX-UHFFFAOYSA-N -1 0 328.180 3.061 20 30 EGEDRM CCOc1cc(C(=O)Nc2cc(C#N)c(F)cc2[O-])c(Cl)cn1 ZINC001185523608 1387737967 /nfs/dbraw/zinc/73/79/67/1387737967.db2.gz OTSHHFQCUSDRQS-UHFFFAOYSA-N -1 0 335.722 3.102 20 30 EGEDRM Cc1c(F)cccc1S(=O)(=O)[N-]c1onc(C(C)(C)C)c1C#N ZINC001185796661 1387802108 /nfs/dbraw/zinc/80/21/08/1387802108.db2.gz MLKVEAXFNFGXOH-UHFFFAOYSA-N -1 0 337.376 3.092 20 30 EGEDRM N#Cc1ccncc1[N-]S(=O)(=O)c1ccc(F)c2ccccc21 ZINC001189357630 1367002757 /nfs/dbraw/zinc/00/27/57/1367002757.db2.gz WGLSGDPDYKPDOX-UHFFFAOYSA-N -1 0 327.340 3.046 20 30 EGEDRM N#Cc1c(Cl)cccc1[N-]S(=O)(=O)Cc1cccc(F)c1F ZINC001189453638 1367026313 /nfs/dbraw/zinc/02/63/13/1367026313.db2.gz VLXPNBTYHFFVAS-UHFFFAOYSA-N -1 0 342.754 3.432 20 30 EGEDRM N#Cc1ccc(F)c(F)c1[N-]S(=O)(=O)Cc1ccc(F)cc1F ZINC001189831670 1367117035 /nfs/dbraw/zinc/11/70/35/1367117035.db2.gz REPLZAFUYSXWSW-UHFFFAOYSA-N -1 0 344.289 3.057 20 30 EGEDRM N#CC1(CNC(=O)c2cc(Br)ccc2[S-])CCC1 ZINC001189960932 1367141382 /nfs/dbraw/zinc/14/13/82/1367141382.db2.gz CBEPJAISEIUDNM-UHFFFAOYSA-N -1 0 325.231 3.161 20 30 EGEDRM COc1cc([O-])c(C(=O)Nc2sc3c(c2C#N)CCC3)c(OC)c1 ZINC001190109896 1367175404 /nfs/dbraw/zinc/17/54/04/1367175404.db2.gz AQTHLVNBTFNWFC-UHFFFAOYSA-N -1 0 344.392 3.084 20 30 EGEDRM COc1ccc(C#N)c([N-]S(=O)(=O)c2ccc(C3CC3)cc2)c1 ZINC001190499330 1367277276 /nfs/dbraw/zinc/27/72/76/1367277276.db2.gz BIECZZGORLVSCE-UHFFFAOYSA-N -1 0 328.393 3.245 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(OCC3CC3)cc2)c1 ZINC001190651286 1367316730 /nfs/dbraw/zinc/31/67/30/1367316730.db2.gz ZKAHDCSZJXZJCI-UHFFFAOYSA-N -1 0 346.383 3.287 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)NC[C@@H]2CCCc3ccccc32)c1 ZINC001190676667 1367326773 /nfs/dbraw/zinc/32/67/73/1367326773.db2.gz JGELTEFVRNEKAW-HNNXBMFYSA-N -1 0 344.411 3.096 20 30 EGEDRM CCOc1ccc(C(=O)Nc2cc(C#N)c(F)cc2[O-])c(F)c1F ZINC001190711418 1367334023 /nfs/dbraw/zinc/33/40/23/1367334023.db2.gz WYBXQNIJDCXRBZ-UHFFFAOYSA-N -1 0 336.269 3.332 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]c2ccc(Cl)c3nsnc32)CC1 ZINC001190815029 1367357028 /nfs/dbraw/zinc/35/70/28/1367357028.db2.gz WDEXPQYHEGZWCF-UHFFFAOYSA-N -1 0 329.834 3.195 20 30 EGEDRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(OC)c(C#N)c1 ZINC001191821336 1367602228 /nfs/dbraw/zinc/60/22/28/1367602228.db2.gz KHOVAWFBQFYPLX-UHFFFAOYSA-N -1 0 346.408 3.075 20 30 EGEDRM C=CCN(C1CCCCC1)S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC001186173586 1387889773 /nfs/dbraw/zinc/88/97/73/1387889773.db2.gz MZLDOWOMTZOICQ-UHFFFAOYSA-N -1 0 341.404 3.033 20 30 EGEDRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccccc2CC#N)c1 ZINC001192821662 1367882125 /nfs/dbraw/zinc/88/21/25/1367882125.db2.gz SZKNKUMATFSCTG-UHFFFAOYSA-N -1 0 330.409 3.124 20 30 EGEDRM C[C@H](C#N)S(=O)(=O)[N-]c1cn(Cc2ccccc2)c2ccccc12 ZINC001193105983 1367945746 /nfs/dbraw/zinc/94/57/46/1367945746.db2.gz AEZLNCGNINMZGO-CQSZACIVSA-N -1 0 339.420 3.343 20 30 EGEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1c(F)cccc1OC1CCCCC1 ZINC001193157871 1367955602 /nfs/dbraw/zinc/95/56/02/1367955602.db2.gz JEYCETLFRHSRHW-NSHDSACASA-N -1 0 326.393 3.191 20 30 EGEDRM Cc1cc(NC(=O)c2ccc([O-])c(C#N)c2)n(-c2ccccc2F)n1 ZINC001193498125 1368045539 /nfs/dbraw/zinc/04/55/39/1368045539.db2.gz HMHCFVAPWBYNOR-UHFFFAOYSA-N -1 0 336.326 3.149 20 30 EGEDRM N#Cc1ccc(NC(=O)c2ncccc2C(=O)c2ccccc2)c([O-])c1 ZINC001193570852 1368064253 /nfs/dbraw/zinc/06/42/53/1368064253.db2.gz PHKDQOVPJWOKBR-UHFFFAOYSA-N -1 0 343.342 3.142 20 30 EGEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2ccc(Cl)cc2C)c1 ZINC001193635657 1368081073 /nfs/dbraw/zinc/08/10/73/1368081073.db2.gz CHWLBNNXEFWEGR-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM N#Cc1cccc(C(=O)NC(=N)Cc2cccc(C(F)(F)F)c2)c1[O-] ZINC001193659014 1368086851 /nfs/dbraw/zinc/08/68/51/1368086851.db2.gz IZORTELUQQZRAH-UHFFFAOYSA-N -1 0 347.296 3.232 20 30 EGEDRM Cn1ccc(-c2ccc(C(=O)Nc3cc(C#N)c(F)cc3[O-])cc2)n1 ZINC001193693629 1368096299 /nfs/dbraw/zinc/09/62/99/1368096299.db2.gz MAVKLSLDVVMRGE-UHFFFAOYSA-N -1 0 336.326 3.056 20 30 EGEDRM COc1ccc(C#N)cc1NC(=O)c1c(C)[n-]n(-c2ccccc2)c1=O ZINC001194270587 1368220463 /nfs/dbraw/zinc/22/04/63/1368220463.db2.gz OIGXTWRPKAZYMS-UHFFFAOYSA-N -1 0 348.362 3.019 20 30 EGEDRM N#Cc1ccc(NC(=O)c2c[nH]c(C(F)(F)F)n2)c2cccnc12 ZINC001194783724 1368322123 /nfs/dbraw/zinc/32/21/23/1368322123.db2.gz SHJHSONSTGVWKZ-UHFFFAOYSA-N -1 0 331.257 3.101 20 30 EGEDRM N#Cc1ccc(C(=O)N2CCn3cccc3[C@H]2c2ccccc2)c([O-])c1 ZINC001195733583 1368479279 /nfs/dbraw/zinc/47/92/79/1368479279.db2.gz RNTFOHKZUYIFDV-HXUWFJFHSA-N -1 0 343.386 3.311 20 30 EGEDRM N#Cc1ccc(C(=O)N2CCC3(CC(OCC4CC4)C3)CC2)c([O-])c1 ZINC001195740942 1368480994 /nfs/dbraw/zinc/48/09/94/1368480994.db2.gz FZHOHBVRGGPIJK-UHFFFAOYSA-N -1 0 340.423 3.075 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2ccc(OC3CCOCC3)cc2)c([O-])c1 ZINC001195758757 1368483295 /nfs/dbraw/zinc/48/32/95/1368483295.db2.gz RRHQIZDBVDXGSF-UHFFFAOYSA-N -1 0 338.363 3.074 20 30 EGEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2ncoc2c1 ZINC001196639883 1368654410 /nfs/dbraw/zinc/65/44/10/1368654410.db2.gz RSORYKKKSLAEQY-UHFFFAOYSA-N -1 0 333.756 3.154 20 30 EGEDRM Cc1ncc(Cl)cc1[N-]S(=O)(=O)c1cc(Cl)ccc1C#N ZINC001196648473 1368655730 /nfs/dbraw/zinc/65/57/30/1368655730.db2.gz ULOGKAGRKHOIPP-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM Cc1c(C)c([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)ccc1O ZINC001196680673 1368661287 /nfs/dbraw/zinc/66/12/87/1368661287.db2.gz XSLLUNCANKXNPZ-UHFFFAOYSA-N -1 0 336.800 3.335 20 30 EGEDRM N#Cc1ccc(Cl)nc1NC(=S)Nc1ccc(C(=O)[O-])cc1 ZINC001197077710 1368742195 /nfs/dbraw/zinc/74/21/95/1368742195.db2.gz XEPGCEPGCQJUAB-UHFFFAOYSA-N -1 0 332.772 3.114 20 30 EGEDRM COc1cccc(CS(=O)(=O)[N-]c2sc(C)c(C)c2C#N)c1 ZINC001197347338 1368794001 /nfs/dbraw/zinc/79/40/01/1368794001.db2.gz VMFHMRVPXUNOKD-UHFFFAOYSA-N -1 0 336.438 3.187 20 30 EGEDRM Cc1cccc(S(=O)(=O)[N-]c2ccc(C#N)c3ncccc23)c1F ZINC001200815001 1369432846 /nfs/dbraw/zinc/43/28/46/1369432846.db2.gz FZIBIDSYRYYMCP-UHFFFAOYSA-N -1 0 341.367 3.355 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nc2)cc1C#N ZINC001201293365 1369512059 /nfs/dbraw/zinc/51/20/59/1369512059.db2.gz VVXVRUCRMUMEIE-UHFFFAOYSA-N -1 0 341.314 3.081 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2cnc3ccsc3c2)cc1C#N ZINC001201295138 1369512516 /nfs/dbraw/zinc/51/25/16/1369512516.db2.gz LYSONSVSJLGEQH-UHFFFAOYSA-N -1 0 329.406 3.277 20 30 EGEDRM COc1ccc(C#N)cc1Nc1cc(S(=O)(=O)[O-])ccc1Cl ZINC001201590207 1369584490 /nfs/dbraw/zinc/58/44/90/1369584490.db2.gz DPFGQZCCNZBIFW-UHFFFAOYSA-N -1 0 338.772 3.211 20 30 EGEDRM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2cnccc2C#N)c(C)c1C ZINC001201792833 1369624217 /nfs/dbraw/zinc/62/42/17/1369624217.db2.gz SFXVHAOZPDJLND-UHFFFAOYSA-N -1 0 329.425 3.296 20 30 EGEDRM CC(C)(C)OC(=O)c1ccc(C(=O)Nc2ccc(C#N)cc2O)cc1 ZINC001186870157 1388019169 /nfs/dbraw/zinc/01/91/69/1388019169.db2.gz VNULUJIEJKDYJZ-UHFFFAOYSA-N -1 0 338.363 3.471 20 30 EGEDRM COc1cc(F)c(-c2noc(CCC(=O)C3=CC=C[CH]3)n2)cc1OC ZINC001204656805 1370538048 /nfs/dbraw/zinc/53/80/48/1370538048.db2.gz SQURDVQNGATDLR-UHFFFAOYSA-N -1 0 343.334 3.095 20 30 EGEDRM COc1cc(C#N)cc(-c2cc(F)c(F)c(C(=O)[O-])c2)c1OC(C)=O ZINC001206031321 1370944223 /nfs/dbraw/zinc/94/42/23/1370944223.db2.gz JYXGUAFZGNXUJD-UHFFFAOYSA-N -1 0 347.273 3.136 20 30 EGEDRM C=CC[C@H](NC(=O)N[C@@H]1CCSc2ccc(Cl)cc21)C(=O)[O-] ZINC001119715642 1371392627 /nfs/dbraw/zinc/39/26/27/1371392627.db2.gz YPTVVMHIIDFIMC-NEPJUHHUSA-N -1 0 340.832 3.205 20 30 EGEDRM CCCCCCCCS(=O)(=O)[N-]c1c(C#N)cnn1C(C)C ZINC001187994661 1388207512 /nfs/dbraw/zinc/20/75/12/1388207512.db2.gz PXPOXVMAGRTRFZ-UHFFFAOYSA-N -1 0 326.466 3.438 20 30 EGEDRM COC(=O)c1ccc(Nc2cc(Cl)cc(C(=O)[O-])c2)c(C#N)c1 ZINC001211969602 1372642726 /nfs/dbraw/zinc/64/27/26/1372642726.db2.gz RQQPVWYIZGZJCP-UHFFFAOYSA-N -1 0 330.727 3.440 20 30 EGEDRM CCCCCCCCS(=O)(=O)[N-]c1cc(O)ccc1C(=O)OC ZINC001188018179 1388216251 /nfs/dbraw/zinc/21/62/51/1388216251.db2.gz XQRDKXLIOQEHRS-UHFFFAOYSA-N -1 0 343.445 3.281 20 30 EGEDRM CCCCCCCCS(=O)(=O)[N-]c1cccc2c1C(=O)NCC2 ZINC001188017970 1388216576 /nfs/dbraw/zinc/21/65/76/1388216576.db2.gz NRDSSSOFPFLMHO-UHFFFAOYSA-N -1 0 338.473 3.075 20 30 EGEDRM N#Cc1sccc1[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC001188040481 1388224501 /nfs/dbraw/zinc/22/45/01/1388224501.db2.gz YRRZXYXZGBXXDO-UHFFFAOYSA-N -1 0 334.209 3.122 20 30 EGEDRM Cc1cc(S(=O)(=O)[O-])c(Nc2ccc(N)c(C#N)c2)cc1Cl ZINC001213438989 1372906808 /nfs/dbraw/zinc/90/68/08/1372906808.db2.gz JBGQAXHTSWMUSX-UHFFFAOYSA-N -1 0 337.788 3.093 20 30 EGEDRM N#Cc1ccc(F)c(Nc2ccc(Cl)cc2S(=O)(=O)[O-])c1 ZINC001214599279 1373087681 /nfs/dbraw/zinc/08/76/81/1373087681.db2.gz KLDBVHGTGVVBOV-UHFFFAOYSA-N -1 0 326.736 3.341 20 30 EGEDRM N#Cc1c([O-])csc1Nc1cc(F)ccc1CN1CCOCC1 ZINC001215817803 1373242079 /nfs/dbraw/zinc/24/20/79/1373242079.db2.gz PNFFLWQJHFQPSX-UHFFFAOYSA-N -1 0 333.388 3.040 20 30 EGEDRM COc1ncc(Nc2cc(Br)cc(F)c2C#N)cc1O ZINC001216210602 1373280678 /nfs/dbraw/zinc/28/06/78/1373280678.db2.gz LDHCDIVZQSLGDI-UHFFFAOYSA-N -1 0 338.136 3.313 20 30 EGEDRM Cc1cc(-c2noc(-c3cc([O-])c(F)cc3[N+](=O)[O-])n2)ccc1C#N ZINC001216951340 1373370482 /nfs/dbraw/zinc/37/04/82/1373370482.db2.gz QGSKSTBXOJYCJN-UHFFFAOYSA-N -1 0 340.270 3.337 20 30 EGEDRM N#Cc1ccc(-c2nc(-c3ccc(C(F)(F)F)nc3)no2)c([O-])c1 ZINC001217038513 1373381236 /nfs/dbraw/zinc/38/12/36/1373381236.db2.gz AZMJFQDKGROSJB-UHFFFAOYSA-N -1 0 332.241 3.395 20 30 EGEDRM C=CC[C@@H](NC(=O)N[C@H](C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC001326931955 1388353994 /nfs/dbraw/zinc/35/39/94/1388353994.db2.gz WOZWOQFMTBPLSK-BXKDBHETSA-N -1 0 330.306 3.095 20 30 EGEDRM C=CCOC[C@H](CS(=O)(=O)[O-])OCCCCC1CCCCC1 ZINC001224766517 1375075530 /nfs/dbraw/zinc/07/55/30/1375075530.db2.gz IQSTWZCASZAYNY-MRXNPFEDSA-N -1 0 334.478 3.213 20 30 EGEDRM C=C[C@@H](CC(=O)OC(C)(C)C)Oc1[n-]c(=O)nc2ccc(F)cc21 ZINC001226409818 1375255403 /nfs/dbraw/zinc/25/54/03/1375255403.db2.gz WBELXMDVWIFPNN-NSHDSACASA-N -1 0 334.347 3.140 20 30 EGEDRM CC(C)(C)C#CC(C#CC(C)(C)C)Oc1[n-]c(=O)nc2cnccc21 ZINC001226978132 1375376548 /nfs/dbraw/zinc/37/65/48/1375376548.db2.gz ZBVVBSJTDJUPMM-UHFFFAOYSA-N -1 0 337.423 3.165 20 30 EGEDRM C#CC[C@H](CC)Oc1cc([O-])c(Br)cc1C(=O)OC ZINC001227360722 1375421971 /nfs/dbraw/zinc/42/19/71/1375421971.db2.gz YPICALSGMSVEQF-VIFPVBQESA-N -1 0 327.174 3.122 20 30 EGEDRM C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ccccc1-c1ccccc1 ZINC001227471674 1375433789 /nfs/dbraw/zinc/43/37/89/1375433789.db2.gz DFIRWCQLERUOPA-MRXNPFEDSA-N -1 0 348.420 3.191 20 30 EGEDRM CCCCCCCCOc1ccc(OC(=O)[C@@H](O)CC(=O)[O-])cc1 ZINC001229377860 1375823242 /nfs/dbraw/zinc/82/32/42/1375823242.db2.gz FYRSLFGQPRQDEI-INIZCTEOSA-N -1 0 338.400 3.167 20 30 EGEDRM N#Cc1ccnnc1O[C@@H](/C(=N\[O-])c1ccccc1)c1ccccc1 ZINC001229604439 1375864023 /nfs/dbraw/zinc/86/40/23/1375864023.db2.gz PMNOEGQWNIIJIA-CNGOPUHISA-N -1 0 330.347 3.347 20 30 EGEDRM C[C@H](C#C[Si](C)(C)C)Oc1ccc(C[C@H]2SC(=O)[N-]C2=O)cc1 ZINC001229624321 1375867494 /nfs/dbraw/zinc/86/74/94/1375867494.db2.gz MRGSFPSOJVHYEN-IUODEOHRSA-N -1 0 347.512 3.229 20 30 EGEDRM N#Cc1cc(NC(=O)c2ccc(-c3csnn3)cc2)c([O-])cc1F ZINC001188923502 1388410192 /nfs/dbraw/zinc/41/01/92/1388410192.db2.gz VOSULPHXRLCYJZ-UHFFFAOYSA-N -1 0 340.339 3.174 20 30 EGEDRM C#C[C@@H](C)Oc1nc(SC)[n-]c(=O)c1Oc1ccc(OC)cc1 ZINC001231120106 1376206187 /nfs/dbraw/zinc/20/61/87/1376206187.db2.gz HCXBSUFVRVRNIR-SNVBAGLBSA-N -1 0 332.381 3.106 20 30 EGEDRM C[C@H]([N-]C(=O)C(F)(F)F)c1ccc(-c2cnc(C#N)c(F)c2)cc1 ZINC001238996679 1377005159 /nfs/dbraw/zinc/00/51/59/1377005159.db2.gz ZOQGAKZGVKAYSI-VIFPVBQESA-N -1 0 337.276 3.499 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2nc(C(F)(F)F)ccc2C#N)s1 ZINC001260679909 1377124922 /nfs/dbraw/zinc/12/49/22/1377124922.db2.gz OVOFXCXPOGDQEW-UHFFFAOYSA-N -1 0 347.343 3.143 20 30 EGEDRM COc1cccc2c1C[C@@H](C(=O)Nc1cc(C#N)c(F)cc1[O-])CC2 ZINC001143545889 1378614663 /nfs/dbraw/zinc/61/46/63/1378614663.db2.gz WIKIYOVHJPKMJU-LBPRGKRZSA-N -1 0 340.354 3.155 20 30 EGEDRM N#Cc1nc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)[n-]c1C#N ZINC001143815106 1378649528 /nfs/dbraw/zinc/64/95/28/1378649528.db2.gz MWJMJTSQSIOFMV-UHFFFAOYSA-N -1 0 339.786 3.257 20 30 EGEDRM N#Cc1cc(NC(=O)c2cc(Br)cs2)c([O-])cc1F ZINC001147911886 1379100176 /nfs/dbraw/zinc/10/01/76/1379100176.db2.gz BQLOOUXFIOBODT-UHFFFAOYSA-N -1 0 341.161 3.479 20 30 EGEDRM N=C(c1ccccc1N)N(O)C(=O)c1ccc(Cl)c2cnccc12 ZINC001155198829 1380423232 /nfs/dbraw/zinc/42/32/32/1380423232.db2.gz AONLOAUEJRGOCH-UHFFFAOYSA-N -1 0 340.770 3.327 20 30 EGEDRM COc1ccc2sc(C(=O)Nc3cc(C#N)c(F)cc3[O-])nc2c1 ZINC001155715008 1380486134 /nfs/dbraw/zinc/48/61/34/1380486134.db2.gz VYMDXKUWTAGPPN-UHFFFAOYSA-N -1 0 343.339 3.274 20 30 EGEDRM C=CCc1cc(C)cnc1NC1([P@@](=O)([O-])O)Cc2ccccc2C1 ZINC001167933037 1383771268 /nfs/dbraw/zinc/77/12/68/1383771268.db2.gz GJCVYLPHHXIDBO-UHFFFAOYSA-N -1 0 344.351 3.203 20 30 EGEDRM C=CCOc1ccccc1[C@H](C)Nc1cccc(S(=O)(=O)[O-])n1 ZINC001171373534 1384504939 /nfs/dbraw/zinc/50/49/39/1384504939.db2.gz SZWYDFAIJPCTSD-LBPRGKRZSA-N -1 0 334.397 3.066 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1Nc1ncc(C#N)cc1Br ZINC001174669943 1385131715 /nfs/dbraw/zinc/13/17/15/1385131715.db2.gz DRMIBGHDMYZWHS-UHFFFAOYSA-N -1 0 348.156 3.166 20 30 EGEDRM C=CC[C@H](NC(=O)/C=C(\C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC001321205939 1386840751 /nfs/dbraw/zinc/84/07/51/1386840751.db2.gz ABACVRTXHZTJOJ-FROQITRMSA-N -1 0 327.302 3.254 20 30 EGEDRM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)N(O)C(=N)c1ccccc1N ZINC001182148118 1387112730 /nfs/dbraw/zinc/11/27/30/1387112730.db2.gz NLNQRUWKHOLSEV-JKIFEVAISA-N -1 0 347.459 3.289 20 30 EGEDRM C=CC[C@@H](NC(=O)c1cc(C2CC2)nc2ccc(F)cc21)C(=O)[O-] ZINC001322601605 1387211595 /nfs/dbraw/zinc/21/15/95/1387211595.db2.gz NBKARQUFUUOLFZ-OAHLLOKOSA-N -1 0 328.343 3.010 20 30 EGEDRM CC(C)Oc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(CC#N)cc1 ZINC001341927487 1390550720 /nfs/dbraw/zinc/55/07/20/1390550720.db2.gz UJSGCGIXAFCJRB-UHFFFAOYSA-N -1 0 348.399 3.480 20 30 EGEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1ccc(F)c2occc21 ZINC001342032944 1390563598 /nfs/dbraw/zinc/56/35/98/1390563598.db2.gz CGXPGFHYQWMISX-AWEZNQCLSA-N -1 0 328.343 3.343 20 30 EGEDRM CC[C@H](C)n1ncc([N-]S(=O)(=O)c2ccc(CC#N)cc2)c1C ZINC001343543300 1390721657 /nfs/dbraw/zinc/72/16/57/1390721657.db2.gz IGCYALAYPSPXOE-LBPRGKRZSA-N -1 0 332.429 3.029 20 30 EGEDRM C=C(C)Cn1c(-c2c[n-]n(CC)c2=O)nnc1N1CCCC[C@@H](C)C1 ZINC001343966598 1390747034 /nfs/dbraw/zinc/74/70/34/1390747034.db2.gz NGNIKRFNWHMFIK-CQSZACIVSA-N -1 0 344.463 3.070 20 30 EGEDRM C=CC[C@@H](NC(=O)/C=C/c1cccc(OC2CCCC2)c1)C(=O)[O-] ZINC001350743125 1391521240 /nfs/dbraw/zinc/52/12/40/1391521240.db2.gz GUGBYVGQPWVOLH-FMQWLBJXSA-N -1 0 329.396 3.167 20 30 EGEDRM N#CC1(CSc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CC1 ZINC000826379848 1428077462 /nfs/dbraw/zinc/07/74/62/1428077462.db2.gz DZFIOGUVLVKSTC-UHFFFAOYSA-N -1 0 325.319 3.281 20 30 EGEDRM COc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1-c1nn[n-]n1 ZINC000737082487 1428696037 /nfs/dbraw/zinc/69/60/37/1428696037.db2.gz VWZKTTLUONCKFL-QHHAFSJGSA-N -1 0 342.305 3.050 20 30 EGEDRM O=C(C=CC1=Cc2ccccc2OC1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826399636 1428868388 /nfs/dbraw/zinc/86/83/88/1428868388.db2.gz AYVKSAOOPPPREY-VMPITWQZSA-N -1 0 348.337 3.221 20 30 EGEDRM COc1ccc(CNc2cc(Cl)ccc2-c2nn[n-]n2)cc1C#N ZINC000826203390 1428891979 /nfs/dbraw/zinc/89/19/79/1428891979.db2.gz MAPHARWUAJXQPO-UHFFFAOYSA-N -1 0 340.774 3.012 20 30 EGEDRM C=C[C@@H](CC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823882871 1429216227 /nfs/dbraw/zinc/21/62/27/1429216227.db2.gz FENSKTCDODREOY-AWEZNQCLSA-N -1 0 333.395 3.189 20 30 EGEDRM CC(C)c1ncc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)s1 ZINC000824364568 1429261938 /nfs/dbraw/zinc/26/19/38/1429261938.db2.gz LWTABYNBAOIHGZ-ARJAWSKDSA-N -1 0 331.426 3.404 20 30 EGEDRM C#CCN(Cc1cccc(-c2nn[n-]n2)c1F)[C@H]1CCc2ccccc21 ZINC000823850445 1429616305 /nfs/dbraw/zinc/61/63/05/1429616305.db2.gz OHRKKSZVUBKHPM-SFHVURJKSA-N -1 0 347.397 3.129 20 30 EGEDRM C=CCCCCCN(C)C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000735407961 1423707952 /nfs/dbraw/zinc/70/79/52/1423707952.db2.gz CBSWXIWEFZKHMW-UHFFFAOYSA-N -1 0 327.432 3.004 20 30 EGEDRM CC(=NNCc1cccc(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000819772539 1423749072 /nfs/dbraw/zinc/74/90/72/1423749072.db2.gz FWRZHWDFAPLQEW-UHFFFAOYSA-N -1 0 326.791 3.034 20 30 EGEDRM C[C@H](N=Cc1cc(Cl)ccc1O)c1cccc(-c2nn[n-]n2)c1 ZINC000820307548 1429726819 /nfs/dbraw/zinc/72/68/19/1429726819.db2.gz NPWVDNZUNYRMCJ-OAOMGELKSA-N -1 0 327.775 3.406 20 30 EGEDRM CCC(CC)C[N@H+](CCC#N)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000820893371 1424937215 /nfs/dbraw/zinc/93/72/15/1424937215.db2.gz OZGNJZDGPNIEFS-UHFFFAOYSA-N -1 0 330.411 3.158 20 30 EGEDRM CC(=Cc1ccc(C)cc1)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000823943195 1427383398 /nfs/dbraw/zinc/38/33/98/1427383398.db2.gz PCGKGHDWKRCJLD-LCYFTJDESA-N -1 0 344.378 3.089 20 30 EGEDRM CC(C)CO[C@@H]1CC(N=Nc2cccc(-c3nn[n-]n3)c2)C1(C)C ZINC000735839411 1427946133 /nfs/dbraw/zinc/94/61/33/1427946133.db2.gz SZTISEVWMQKDMH-OAHLLOKOSA-N -1 0 328.420 3.106 20 30 EGEDRM COc1ccc(NN=Cc2ccc(-c3nn[n-]n3)cc2F)cc1Cl ZINC000826210181 1428120458 /nfs/dbraw/zinc/12/04/58/1428120458.db2.gz IDEHFDDBKJBULI-UHFFFAOYSA-N -1 0 346.753 3.114 20 30 EGEDRM COc1ccc2c(c1)CCC(=Cc1cc(-c3nn[n-]n3)cs1)C2=O ZINC000821849853 1441437396 /nfs/dbraw/zinc/43/73/96/1441437396.db2.gz RXKXMXLTDBSVMQ-YRNVUSSQSA-N -1 0 338.392 3.149 20 30 EGEDRM N#Cc1ccc(Oc2cc(Cl)ccc2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000822832897 1441759039 /nfs/dbraw/zinc/75/90/39/1441759039.db2.gz IGTXZWAOGGEYIV-UHFFFAOYSA-N -1 0 342.702 3.092 20 30 EGEDRM CCC(Cc1cccs1)N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000825126978 1441953382 /nfs/dbraw/zinc/95/33/82/1441953382.db2.gz KPXFWPZDGKEARG-UHFFFAOYSA-N -1 0 347.835 3.397 20 30 EGEDRM Clc1ccc(C=NNc2cc(-c3nn[n-]n3)cc(Cl)n2)s1 ZINC000826349999 1442026002 /nfs/dbraw/zinc/02/60/02/1442026002.db2.gz CYSSYGKEKFIBHL-UHFFFAOYSA-N -1 0 340.199 3.076 20 30 EGEDRM CCCC[C@H](CC)CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000736438109 1442053174 /nfs/dbraw/zinc/05/31/74/1442053174.db2.gz LSHXYABBINGNQQ-LBPRGKRZSA-N -1 0 326.404 3.283 20 30 EGEDRM N#CC1(C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)CCCCC1 ZINC000826380345 1442084317 /nfs/dbraw/zinc/08/43/17/1442084317.db2.gz WLIHSJWIHSPVAQ-UHFFFAOYSA-N -1 0 345.790 3.037 20 30 EGEDRM N#Cc1cc(NC(=O)c2csc3ccccc23)ccc1-c1nn[n-]n1 ZINC000737707925 1442353929 /nfs/dbraw/zinc/35/39/29/1442353929.db2.gz ALJCQPGABZJTJO-UHFFFAOYSA-N -1 0 346.375 3.205 20 30 EGEDRM Cc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)ccc1F ZINC000826266398 1443590768 /nfs/dbraw/zinc/59/07/68/1443590768.db2.gz NMGNXPRIXAMKQY-XVNBXDOJSA-N -1 0 326.306 3.349 20 30 EGEDRM N#Cc1cc(CNc2ccc(-c3nn[n-]n3)cc2Cl)ccc1F ZINC000822818821 1443701186 /nfs/dbraw/zinc/70/11/86/1443701186.db2.gz GOECBYHRJAYVTG-UHFFFAOYSA-N -1 0 328.738 3.143 20 30 EGEDRM CC1(C)Cc2cccc(C=NNc3cccc(-c4nn[n-]n4)c3)c2O1 ZINC000736215517 1443820789 /nfs/dbraw/zinc/82/07/89/1443820789.db2.gz YNPYLVFKLPTHLG-UHFFFAOYSA-N -1 0 334.383 3.026 20 30 EGEDRM C=CC[C@H](C)NC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000823887993 1443886120 /nfs/dbraw/zinc/88/61/20/1443886120.db2.gz CPFZLNHOEGQMHC-ZDUSSCGKSA-N -1 0 349.394 3.353 20 30 EGEDRM CC(=NNc1ccc(Cl)c(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000819773562 1446142308 /nfs/dbraw/zinc/14/23/08/1446142308.db2.gz UQSHJGBTHNYEOX-UHFFFAOYSA-N -1 0 330.754 3.495 20 30 EGEDRM N#Cc1ccc(SCc2cc(F)ccc2-c2nn[n-]n2)c(F)c1 ZINC000822832966 1446755447 /nfs/dbraw/zinc/75/54/47/1446755447.db2.gz KWLIEEZYIFYOJS-UHFFFAOYSA-N -1 0 329.335 3.309 20 30 EGEDRM CC(=NNCc1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823954103 1447179871 /nfs/dbraw/zinc/17/98/71/1447179871.db2.gz ZHENGAMGGKISBR-UHFFFAOYSA-N -1 0 344.781 3.173 20 30 EGEDRM C#CCCCC(=O)N[C@@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000909758381 939727278 /nfs/dbraw/zinc/72/72/78/939727278.db2.gz MEQILCGDYAICHZ-OAHLLOKOSA-N -1 0 328.195 3.213 20 30 EGEDRM CC[C@]1(C(=O)[O-])CCCN(c2c(Br)cccc2C#N)C1 ZINC001589608452 949309546 /nfs/dbraw/zinc/30/95/46/949309546.db2.gz VVWVVRCTFQDWTD-HNNXBMFYSA-N -1 0 337.217 3.402 20 30 EGEDRM CCCC[C@@H](ON=C(C)C)C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001589639792 949670713 /nfs/dbraw/zinc/67/07/13/949670713.db2.gz LLBOWXHPERENOF-IAGOWNOFSA-N -1 0 346.427 3.168 20 30 EGEDRM CCCNc1ccc(C#N)cc1NC(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001589677863 950020367 /nfs/dbraw/zinc/02/03/67/950020367.db2.gz SUJCQSXGEAHFBU-GQCTYLIASA-N -1 0 339.351 3.323 20 30 EGEDRM C#CCCCCNC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000840987519 955568195 /nfs/dbraw/zinc/56/81/95/955568195.db2.gz AMWYJSWTJMHPRW-UHFFFAOYSA-N -1 0 328.412 3.077 20 30 EGEDRM CCCCCCCCNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000387540273 972127092 /nfs/dbraw/zinc/12/70/92/972127092.db2.gz VCQGMKJXNZQZEA-UHFFFAOYSA-N -1 0 331.409 3.163 20 30 EGEDRM N#CCc1cccc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)c1 ZINC001594610809 956206988 /nfs/dbraw/zinc/20/69/88/956206988.db2.gz FNFLAEYVDKTHTQ-UHFFFAOYSA-N -1 0 332.718 3.496 20 30 EGEDRM N#Cc1cc(NC(=O)c2cc(C(=O)[O-])n[nH]2)ccc1Oc1ccccc1 ZINC001594616574 956241332 /nfs/dbraw/zinc/24/13/32/956241332.db2.gz VGHQSLDUBJFLOK-UHFFFAOYSA-N -1 0 348.318 3.024 20 30 EGEDRM N#Cc1ccc(Br)cc1N[C@H](Cc1ccccc1)C(=O)[O-] ZINC001594617811 956255096 /nfs/dbraw/zinc/25/50/96/956255096.db2.gz XMAJUIKGQFPTKR-OAHLLOKOSA-N -1 0 345.196 3.429 20 30 EGEDRM N#Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)c1 ZINC001594628604 956333140 /nfs/dbraw/zinc/33/31/40/956333140.db2.gz FWWRFFMWGJKZGK-RDGPPVDQSA-N -1 0 346.386 3.091 20 30 EGEDRM Cc1cc(C#N)cc(C)c1C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001594273891 957697799 /nfs/dbraw/zinc/69/77/99/957697799.db2.gz GVVKZTYDBSECDQ-VHDGCEQUSA-N -1 0 328.412 3.040 20 30 EGEDRM C#Cc1ccc(NC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)c(Cl)c1 ZINC001588438914 958307600 /nfs/dbraw/zinc/30/76/00/958307600.db2.gz JOINHAHRDPNTOK-ZDUSSCGKSA-N -1 0 334.803 3.430 20 30 EGEDRM C=CC[S@@](=O)(=NC(=O)C1(C(=O)[O-])CCCCC1)c1ccccc1 ZINC001588469400 958515241 /nfs/dbraw/zinc/51/52/41/958515241.db2.gz DWKUDLJZOBXOML-QHCPKHFHSA-N -1 0 335.425 3.261 20 30 EGEDRM C=CCc1ccc(OC(=O)/C=C\c2ccc(C(=O)[O-])o2)c(OC)c1 ZINC001573336427 958518805 /nfs/dbraw/zinc/51/88/05/958518805.db2.gz AGFBOYGIGVGABN-YFHOEESVSA-N -1 0 328.320 3.334 20 30 EGEDRM C=CCn1ncc2ccc(NC(=O)/C=C/c3ccc(C(=O)[O-])o3)cc21 ZINC001588474728 958558056 /nfs/dbraw/zinc/55/80/56/958558056.db2.gz NUAHPUPLYVWKRS-SOFGYWHQSA-N -1 0 337.335 3.165 20 30 EGEDRM C=CCn1ncc2ccc(NC(=O)c3cc(C)cc(C(=O)[O-])c3)cc21 ZINC001573378592 958659147 /nfs/dbraw/zinc/65/91/47/958659147.db2.gz HLAWSDBKPADECM-UHFFFAOYSA-N -1 0 335.363 3.481 20 30 EGEDRM CC(C)(C(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1cc(F)cc(C#N)c1 ZINC001573381880 958667928 /nfs/dbraw/zinc/66/79/28/958667928.db2.gz PPQRPNFFYUJPDI-ZDUSSCGKSA-N -1 0 346.402 3.078 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC001588538883 958945804 /nfs/dbraw/zinc/94/58/04/958945804.db2.gz PSPSGKXNCCKIEG-DDUZABMNSA-N -1 0 348.830 3.487 20 30 EGEDRM Cc1c(Cl)cnc(N2Cc3ccccc3[C@@H](C(=O)[O-])C2)c1C#N ZINC001594262695 959711831 /nfs/dbraw/zinc/71/18/31/959711831.db2.gz RBVZDKGPTJEXCV-AWEZNQCLSA-N -1 0 327.771 3.104 20 30 EGEDRM N#Cc1ccc(NCc2ccc(C(=O)[O-])o2)c(F)c1Br ZINC000231842619 960210995 /nfs/dbraw/zinc/21/09/95/960210995.db2.gz IXQUTAHYIGCOQK-UHFFFAOYSA-N -1 0 339.120 3.363 20 30 EGEDRM N#Cc1cnc(Nc2ccc(CCC(=O)[O-])cc2)c(Br)c1 ZINC001213621335 960605997 /nfs/dbraw/zinc/60/59/97/960605997.db2.gz SLXIAWGNLOXRLN-UHFFFAOYSA-N -1 0 346.184 3.477 20 30 EGEDRM Cc1cc(NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)ccc1C(=O)[O-] ZINC001574337713 960908692 /nfs/dbraw/zinc/90/86/92/960908692.db2.gz FKVNELIUPNUDBH-UHFFFAOYSA-N -1 0 338.338 3.374 20 30 EGEDRM CCCC[C@H](ON=C(C)C)C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001573841520 961082293 /nfs/dbraw/zinc/08/22/93/961082293.db2.gz UPUXCMXTYKYCMM-QFBILLFUSA-N -1 0 348.443 3.116 20 30 EGEDRM CC(C)(C)Oc1ccc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)cc1C#N ZINC001588734784 961129852 /nfs/dbraw/zinc/12/98/52/961129852.db2.gz ZMJGVGXQKGFMPF-NWDGAFQWSA-N -1 0 330.384 3.175 20 30 EGEDRM C=CCO[C@@H]1CCN([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C1 ZINC001328744566 961225764 /nfs/dbraw/zinc/22/57/64/961225764.db2.gz OGGPJMSAILEFQR-KGLIPLIRSA-N -1 0 330.211 3.396 20 30 EGEDRM CC(C)[C@H](C(=O)[O-])C(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC001588809301 961511450 /nfs/dbraw/zinc/51/14/50/961511450.db2.gz KDHABLWULXQOKG-INIZCTEOSA-N -1 0 327.405 3.443 20 30 EGEDRM N#CC1(CC(=O)Nc2sc3c(c2C(=O)[O-])CCOC3)CCCCC1 ZINC001574480227 961660756 /nfs/dbraw/zinc/66/07/56/961660756.db2.gz CNEPSOXOXYOLIO-UHFFFAOYSA-N -1 0 348.424 3.322 20 30 EGEDRM C=C1CCC(C(=O)N2C[C@@H](c3ccc(F)cc3F)[C@H](C(=O)[O-])C2)CC1 ZINC001354050491 962702423 /nfs/dbraw/zinc/70/24/23/962702423.db2.gz IAVMXTLETJKRLC-JKSUJKDBSA-N -1 0 349.377 3.338 20 30 EGEDRM C#CCOc1ccccc1NC(=O)NCc1ccc(NC(=O)[O-])cc1 ZINC001573312274 962721123 /nfs/dbraw/zinc/72/11/23/962721123.db2.gz QJFHZYMIHBJJAL-UHFFFAOYSA-N -1 0 339.351 3.110 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3)C(=O)[O-] ZINC001573324808 962790505 /nfs/dbraw/zinc/79/05/05/962790505.db2.gz YXNUMOVASUHJKZ-KZULUSFZSA-N -1 0 340.423 3.442 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC001573332221 962828358 /nfs/dbraw/zinc/82/83/58/962828358.db2.gz KTIMMGZLGNOMHF-JTQLQIEISA-N -1 0 331.290 3.183 20 30 EGEDRM C=CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(C(=O)[O-])nc1 ZINC001573350138 962966305 /nfs/dbraw/zinc/96/63/05/962966305.db2.gz CQYDQBZBGLALOL-AWEZNQCLSA-N -1 0 325.368 3.089 20 30 EGEDRM C=CCCC[C@H](NC(=O)C1(c2ccc(F)cc2F)CCC1)C(=O)[O-] ZINC001573358020 963024247 /nfs/dbraw/zinc/02/42/47/963024247.db2.gz VZHIEWCTYCEARL-HNNXBMFYSA-N -1 0 337.366 3.312 20 30 EGEDRM C=CCOCCCC(=O)Nc1cc(C(=O)[O-])ccc1Br ZINC001609636838 970430712 /nfs/dbraw/zinc/43/07/12/970430712.db2.gz KUBMVCGKVYKDEZ-UHFFFAOYSA-N -1 0 342.189 3.069 20 30 EGEDRM C[C@@H](C(=O)[O-])c1noc(-c2ccc(OCc3ccccc3C#N)cc2)n1 ZINC001609718051 970495280 /nfs/dbraw/zinc/49/52/80/970495280.db2.gz IXMFWXUGNWDHJQ-GFCCVEGCSA-N -1 0 349.346 3.375 20 30 EGEDRM C[C@H](C#N)CN(C)C(=O)Nc1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC000320926083 970729470 /nfs/dbraw/zinc/72/94/70/970729470.db2.gz IEBXLGTUCCFIOS-MRVPVSSYSA-N -1 0 329.278 3.027 20 30 EGEDRM N#Cc1c(NC(=O)Cc2ccccc2C(=O)[O-])sc2c1CCCC2 ZINC001605590982 973886181 /nfs/dbraw/zinc/88/61/81/973886181.db2.gz RNQVRRFDLDYKLP-UHFFFAOYSA-N -1 0 340.404 3.378 20 30 EGEDRM N#Cc1ccc(CN(C(=O)c2coc(/C=C\C(=O)[O-])c2)C2CC2)cc1 ZINC001605601956 973909212 /nfs/dbraw/zinc/90/92/12/973909212.db2.gz HMYNBWIWMOGSCI-FPLPWBNLSA-N -1 0 336.347 3.054 20 30 EGEDRM N#Cc1cccc(-c2csc(NC(=O)C3(CC(=O)[O-])CCC3)n2)c1 ZINC001605617636 973935977 /nfs/dbraw/zinc/93/59/77/973935977.db2.gz RBEVVPKEZZBYAN-UHFFFAOYSA-N -1 0 341.392 3.265 20 30 EGEDRM CC(C)c1ccc(OS(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])cc1 ZINC001591972864 976572793 /nfs/dbraw/zinc/57/27/93/976572793.db2.gz QHHCVLQOODBPMG-UHFFFAOYSA-N -1 0 345.376 3.148 20 30 EGEDRM C[C@H](CCC#N)CN1Cc2sc(C(=O)[O-])c(Br)c2C1 ZINC001592471618 978233064 /nfs/dbraw/zinc/23/30/64/978233064.db2.gz ULGYCNJQTPOZTK-MRVPVSSYSA-N -1 0 343.246 3.464 20 30 EGEDRM O=C([O-])COc1ccc(/C=C\C(=O)c2cnn(-c3ccccc3)c2)cc1 ZINC000746347403 978682201 /nfs/dbraw/zinc/68/22/01/978682201.db2.gz IWOSLDCKOBNNQJ-FLIBITNWSA-N -1 0 348.358 3.232 20 30 EGEDRM COCCCOc1cccc(C=NNc2cccc(C(=O)[O-])c2)c1 ZINC000746484368 978685767 /nfs/dbraw/zinc/68/57/67/978685767.db2.gz HKGCXILQYNBHTK-UHFFFAOYSA-N -1 0 328.368 3.246 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1N=NCc1cccc(-n2cccn2)c1 ZINC000756905745 978702000 /nfs/dbraw/zinc/70/20/00/978702000.db2.gz HZSYSIPYCFZHCR-UHFFFAOYSA-N -1 0 336.351 3.025 20 30 EGEDRM O=C([O-])c1ccc(N=NCc2ccc(CSC(F)F)o2)nc1 ZINC000763370713 978722113 /nfs/dbraw/zinc/72/21/13/978722113.db2.gz UOWOBEFUUSWBLQ-UHFFFAOYSA-N -1 0 327.312 3.275 20 30 EGEDRM Cc1cc(C)c(C(=O)/C=C\c2ccc(OCC(=O)[O-])cc2)c(O)c1 ZINC000799895592 978845179 /nfs/dbraw/zinc/84/51/79/978845179.db2.gz QAECIWJCQRDAQD-YVMONPNESA-N -1 0 326.348 3.369 20 30 EGEDRM C[C@@H]1C(N=Nc2cccc(Br)n2)CC[C@H]1CC(=O)[O-] ZINC000835023725 979245328 /nfs/dbraw/zinc/24/53/28/979245328.db2.gz OHIYEGZNMULQNV-IUCAKERBSA-N -1 0 326.194 3.133 20 30 EGEDRM C=CCCO[C@H](C)C(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC000841501734 979302995 /nfs/dbraw/zinc/30/29/95/979302995.db2.gz QWQQGIDSJFOBDS-CQSZACIVSA-N -1 0 346.427 3.295 20 30 EGEDRM C=C(C)[C@@H]1OCC[C@H]1CNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000844219798 979383784 /nfs/dbraw/zinc/38/37/84/979383784.db2.gz WPOFQFQQUWZLOW-YMKHFMGBSA-N -1 0 332.356 3.086 20 30 EGEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)OCc1ccc(C(=O)[O-])c(F)c1 ZINC001592834645 979577728 /nfs/dbraw/zinc/57/77/28/979577728.db2.gz UADXLGFOHSVANY-LBPRGKRZSA-N -1 0 341.338 3.318 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1N=NC[C@@H]1CCN(c2ccccc2)C1 ZINC000853324720 979605507 /nfs/dbraw/zinc/60/55/07/979605507.db2.gz CUNCFHRXTITKCL-AWEZNQCLSA-N -1 0 339.395 3.318 20 30 EGEDRM C[C@H](Cc1ccc(NC(=O)NCc2cccc(C#N)c2)cc1)C(=O)[O-] ZINC001592873032 979733122 /nfs/dbraw/zinc/73/31/22/979733122.db2.gz QBKLJMUSAREKNB-CYBMUJFWSA-N -1 0 337.379 3.143 20 30 EGEDRM C=C[C@@H](C(=O)[O-])N1CCc2cc(Cl)cc(Br)c2C1 ZINC000903946135 981071642 /nfs/dbraw/zinc/07/16/42/981071642.db2.gz AKXIEGCCKYCOQM-LBPRGKRZSA-N -1 0 330.609 3.100 20 30 EGEDRM C#CCC1(C(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)CCCCC1 ZINC000909606673 981550442 /nfs/dbraw/zinc/55/04/42/981550442.db2.gz ZACDPUGYDWWGAC-IBGZPJMESA-N -1 0 327.424 3.119 20 30 EGEDRM C#CCC1(C(=O)N2CCc3cc(C(=O)[O-])ccc3C2)CCCCC1 ZINC000910500534 981966284 /nfs/dbraw/zinc/96/62/84/981966284.db2.gz OAYPQYIBZUUELG-UHFFFAOYSA-N -1 0 325.408 3.243 20 30 EGEDRM CCCCCCCCC(=O)N[C@H]1CCOC2(CC(C(=O)[O-])C2)C1 ZINC001595704990 982281998 /nfs/dbraw/zinc/28/19/98/982281998.db2.gz MMZGXEDGQSFPSS-CSLYMUCUSA-N -1 0 325.449 3.266 20 30 EGEDRM C[C@@H]1CCC[C@@H](NC(=S)NN=Cc2ccc(C(=O)[O-])cc2)[C@@H]1C ZINC000916352078 982675184 /nfs/dbraw/zinc/67/51/84/982675184.db2.gz IMZQDDMQRCCRNC-LALPHHSUSA-N -1 0 333.457 3.008 20 30 EGEDRM CC[C@](CNC(=O)C1(C#N)CCCCC1)(C(=O)[O-])c1ccccc1 ZINC000923081125 982711369 /nfs/dbraw/zinc/71/13/69/982711369.db2.gz RARFFUIUWNUOMA-LJQANCHMSA-N -1 0 328.412 3.009 20 30 EGEDRM C#C[C@@H](NC(=O)NCc1ccc(C(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC001573463952 983042605 /nfs/dbraw/zinc/04/26/05/983042605.db2.gz SUAUEAQOMKMNOP-MRXNPFEDSA-N -1 0 342.782 3.212 20 30 EGEDRM C#C[C@H](NC(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])c(C)s1)C(C)(C)C ZINC001588371949 983326554 /nfs/dbraw/zinc/32/65/54/983326554.db2.gz AQMPLNLOYOUVBT-NEPJUHHUSA-N -1 0 349.456 3.044 20 30 EGEDRM C#C[C@@H](Nc1ccc(C(=O)[O-])nc1C#N)c1ccc(Cl)cc1F ZINC001588375646 983346606 /nfs/dbraw/zinc/34/66/06/983346606.db2.gz DSZAVCJIUSYZSZ-GFCCVEGCSA-N -1 0 329.718 3.230 20 30 EGEDRM C#C[C@@H](OC(=O)CCSCC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001588375695 983346941 /nfs/dbraw/zinc/34/69/41/983346941.db2.gz GCLIGSNREZVUMM-GFCCVEGCSA-N -1 0 346.326 3.131 20 30 EGEDRM C#CC[C@@H](NC(=O)c1csc(-c2ccc(Cl)cc2)c1)C(=O)[O-] ZINC001588422272 983445611 /nfs/dbraw/zinc/44/56/11/983445611.db2.gz VLKJFWMBQJDSLW-CYBMUJFWSA-N -1 0 333.796 3.275 20 30 EGEDRM C#CCCOc1ccc(CN=Nc2cccc(F)c2C(=O)[O-])cc1 ZINC001588457491 983481528 /nfs/dbraw/zinc/48/15/28/983481528.db2.gz BBLMQTCNLZNOLK-UHFFFAOYSA-N -1 0 326.327 3.372 20 30 EGEDRM C#CCN(Cc1ccc(F)cc1)Cc1ccccc1O[C@@H](C)C(=O)[O-] ZINC001588469345 983501956 /nfs/dbraw/zinc/50/19/56/983501956.db2.gz GGOBINZHHVJWEM-HNNXBMFYSA-N -1 0 341.382 3.313 20 30 EGEDRM C#CCOCCC(=O)Nc1sc(C2CCCCC2)cc1C(=O)[O-] ZINC001588489445 983527518 /nfs/dbraw/zinc/52/75/18/983527518.db2.gz AHAXNFLXHNAPKT-UHFFFAOYSA-N -1 0 335.425 3.472 20 30 EGEDRM C#CCOc1cccc(Cl)c1CNCc1ccccc1CC(=O)[O-] ZINC001588497815 983541621 /nfs/dbraw/zinc/54/16/21/983541621.db2.gz DOKZVDYXGLPYEU-UHFFFAOYSA-N -1 0 343.810 3.269 20 30 EGEDRM C#C[C@H]1CC[C@H](NC(=O)Nc2ccc(C(=O)[O-])cc2OCC)CC1 ZINC001588511406 983559464 /nfs/dbraw/zinc/55/94/64/983559464.db2.gz WXTCJIPUOBDEHI-MQMHXKEQSA-N -1 0 330.384 3.097 20 30 EGEDRM C=C(C)C[C@H](NC(=O)/C=C/c1ccccc1O[C@H](C)CC)C(=O)[O-] ZINC001588540388 983603500 /nfs/dbraw/zinc/60/35/00/983603500.db2.gz FJKYNCVZAWFJDK-AGEWCLKBSA-N -1 0 331.412 3.413 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)c1cc2ccc(C(F)(F)F)cc2[nH]1)C(=O)[O-] ZINC001588547321 983619635 /nfs/dbraw/zinc/61/96/35/983619635.db2.gz XPGHPWSLHJETRU-CYBMUJFWSA-N -1 0 340.301 3.336 20 30 EGEDRM C=C(C)C[C@H](Nc1ccc(C#N)c(Br)c1F)C(=O)[O-] ZINC001588554884 983632191 /nfs/dbraw/zinc/63/21/91/983632191.db2.gz SKCQJNOOTGBKRD-JTQLQIEISA-N -1 0 327.153 3.291 20 30 EGEDRM C=C(C)CN(Cc1ccccc1)C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001588567454 983647039 /nfs/dbraw/zinc/64/70/39/983647039.db2.gz LOIBJYHYLHBWKN-XDNAFOTISA-N -1 0 342.439 3.274 20 30 EGEDRM C=C(C)Cc1cccc(C(=O)[O-])c1OCc1cccc(C(=O)OC)n1 ZINC001588577293 983655844 /nfs/dbraw/zinc/65/58/44/983655844.db2.gz RGSWJUURTMHEFX-UHFFFAOYSA-N -1 0 341.363 3.264 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N(CCc1ccccc1)Cc1cccnc1 ZINC001588612187 983702316 /nfs/dbraw/zinc/70/23/16/983702316.db2.gz KRJOFAVVHYQWEI-UHFFFAOYSA-N -1 0 338.407 3.074 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(C)c(OCC2CCOCC2)c1 ZINC001588629535 983737726 /nfs/dbraw/zinc/73/77/26/983737726.db2.gz LUDXBJKKTBRAHN-UHFFFAOYSA-N -1 0 347.411 3.160 20 30 EGEDRM C=C1CCC(CNC(=O)c2cc(C(=O)[O-])nn2-c2ccccc2)CC1 ZINC001588649882 983770993 /nfs/dbraw/zinc/77/09/93/983770993.db2.gz JUXAVHHGPJIMKO-UHFFFAOYSA-N -1 0 339.395 3.047 20 30 EGEDRM C=C[C@H](C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21)c1ccccc1 ZINC001588661093 983785918 /nfs/dbraw/zinc/78/59/18/983785918.db2.gz DQDDKNAENTZSRF-XWTMOSNGSA-N -1 0 327.424 3.448 20 30 EGEDRM C=C[C@H](C(=O)[O-])N1CCN(C(=O)OC(C)(C)C)Cc2c(C)cccc21 ZINC001588670244 983819675 /nfs/dbraw/zinc/81/96/75/983819675.db2.gz YVFNRIIKJMDWQB-OAHLLOKOSA-N -1 0 346.427 3.191 20 30 EGEDRM C=C[C@@](C)(CCOC)COC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001588683365 983848839 /nfs/dbraw/zinc/84/88/39/983848839.db2.gz YOXDHCACEARDPS-INIZCTEOSA-N -1 0 326.776 3.424 20 30 EGEDRM C=C[C@@H](CC(=O)N1CCCc2nc(C(=O)[O-])ccc21)c1ccccc1 ZINC001588690572 983875020 /nfs/dbraw/zinc/87/50/20/983875020.db2.gz CMUDPEBJKURIGE-AWEZNQCLSA-N -1 0 336.391 3.419 20 30 EGEDRM C=CC[C@H](CC)NC(=O)NCCc1cc2ccc(C(=O)[O-])cc2o1 ZINC001588735479 984018514 /nfs/dbraw/zinc/01/85/14/984018514.db2.gz ASPRNBKYJVERGL-AWEZNQCLSA-N -1 0 330.384 3.327 20 30 EGEDRM C=CCC1(C(=O)Nc2cc(F)c(Cl)c(C(=O)[O-])c2)CCOCC1 ZINC001588764748 984123540 /nfs/dbraw/zinc/12/35/40/984123540.db2.gz HYLALNGPQILKSI-UHFFFAOYSA-N -1 0 341.766 3.489 20 30 EGEDRM C=CC[C@@H]1N(S(=O)(=O)C2CCC(C(=O)[O-])CC2)CCCC1(C)C ZINC001588774453 984151797 /nfs/dbraw/zinc/15/17/97/984151797.db2.gz ZVGJOWOHMVEOES-NRXISQOPSA-N -1 0 343.489 3.026 20 30 EGEDRM C=CCC[C@H](C(=O)NCc1ncc(C(=O)[O-])s1)c1ccccc1 ZINC001588776740 984153127 /nfs/dbraw/zinc/15/31/27/984153127.db2.gz DEMDCCPWBMWRBT-ZDUSSCGKSA-N -1 0 330.409 3.208 20 30 EGEDRM C=CCC[C@@H](C(=O)N[C@H](Cc1cncs1)C(=O)[O-])c1ccccc1 ZINC001588776796 984153688 /nfs/dbraw/zinc/15/36/88/984153688.db2.gz GXZRKXVLHZRSQB-HZPDHXFCSA-N -1 0 344.436 3.005 20 30 EGEDRM C=CCC[C@H](NS(=O)(=O)c1cc(C)c(C(=O)[O-])o1)c1ccccc1 ZINC001588779260 984164978 /nfs/dbraw/zinc/16/49/78/984164978.db2.gz VCXFFOCBFXHWRV-AWEZNQCLSA-N -1 0 349.408 3.272 20 30 EGEDRM C=CCCC1(CNC(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)CCCC1 ZINC001588782273 984170977 /nfs/dbraw/zinc/17/09/77/984170977.db2.gz SPBKQUCGONDCQK-HNNXBMFYSA-N -1 0 334.460 3.409 20 30 EGEDRM C=CCCC[C@H](NC(=O)Cc1cc2cc(Cl)ccc2[nH]1)C(=O)[O-] ZINC001588789063 984196090 /nfs/dbraw/zinc/19/60/90/984196090.db2.gz WRPWSUOMYHOMBA-HNNXBMFYSA-N -1 0 334.803 3.290 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1cnc2c(F)ccc(F)c2c1)C(=O)[O-] ZINC001588798035 984232909 /nfs/dbraw/zinc/23/29/09/984232909.db2.gz RSJNLADXCSHYTC-CQSZACIVSA-N -1 0 334.322 3.052 20 30 EGEDRM C=CCCCCCCNC(=O)N1CCOc2cc(C(=O)[O-])ccc2C1 ZINC001588798462 984236116 /nfs/dbraw/zinc/23/61/16/984236116.db2.gz GFYMNWGWDOLGPP-UHFFFAOYSA-N -1 0 346.427 3.425 20 30 EGEDRM C=CCCCCCN(C)S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F ZINC001588799976 984243490 /nfs/dbraw/zinc/24/34/90/984243490.db2.gz TZBKFJJTHFSWAF-UHFFFAOYSA-N -1 0 343.420 3.199 20 30 EGEDRM C=CCCOCCCCC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001588810343 984266207 /nfs/dbraw/zinc/26/62/07/984266207.db2.gz JUHZHEXBDNSCCX-UHFFFAOYSA-N -1 0 327.327 3.365 20 30 EGEDRM C=CCN(CC(=O)Nc1ccccc1C(=O)[O-])Cc1ccccc1F ZINC001588824127 984296814 /nfs/dbraw/zinc/29/68/14/984296814.db2.gz ULJUVVXBYPGUHS-UHFFFAOYSA-N -1 0 342.370 3.151 20 30 EGEDRM C=CCN(CC=C)C(=O)CSc1cc(Cl)ccc1C(=O)[O-] ZINC001588825207 984299009 /nfs/dbraw/zinc/29/90/09/984299009.db2.gz HSANKKCHFHROGJ-UHFFFAOYSA-N -1 0 325.817 3.331 20 30 EGEDRM C=CCN1C(=O)N[C@H](c2ccc(SC)c(OC)c2)C(C(=O)[O-])=C1C ZINC001588836918 984331170 /nfs/dbraw/zinc/33/11/70/984331170.db2.gz MRTBMGGTCJRPSY-OAHLLOKOSA-N -1 0 348.424 3.028 20 30 EGEDRM C=CCOc1cccc(NC(=O)NCC2(C(=O)[O-])CCCCC2)c1 ZINC001588872927 984443246 /nfs/dbraw/zinc/44/32/46/984443246.db2.gz TVUPSMHLWHWIJW-UHFFFAOYSA-N -1 0 332.400 3.408 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1coc(C2CC2)n1 ZINC001588885598 984468647 /nfs/dbraw/zinc/46/86/47/984468647.db2.gz VKFUBMLSICNVKI-UHFFFAOYSA-N -1 0 343.335 3.207 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1ccc(C)nc1 ZINC001588885670 984469259 /nfs/dbraw/zinc/46/92/59/984469259.db2.gz WFLUYALMWKUDQI-UHFFFAOYSA-N -1 0 327.336 3.045 20 30 EGEDRM C=CCn1ncc2ccc(NC(=O)c3ccc(/C=C\C(=O)[O-])o3)cc21 ZINC001588913059 984553850 /nfs/dbraw/zinc/55/38/50/984553850.db2.gz VWBYDOKMARZFBJ-VURMDHGXSA-N -1 0 337.335 3.165 20 30 EGEDRM CC(N=Nc1cccc(F)c1C(=O)[O-])c1nc2ccccc2n1C ZINC001589017663 985006520 /nfs/dbraw/zinc/00/65/20/985006520.db2.gz YFTDGGLUJDUQLG-UHFFFAOYSA-N -1 0 326.331 3.247 20 30 EGEDRM CC(=NOCc1cccc(Cl)n1)c1ccc(OCC(=O)[O-])cc1 ZINC001589021045 985009859 /nfs/dbraw/zinc/00/98/59/985009859.db2.gz JVVUGXYHRUKKAQ-UHFFFAOYSA-N -1 0 334.759 3.139 20 30 EGEDRM CC(=O)[C@@](C#N)(CCN1Cc2ccc(C(=O)[O-])cc2C1)c1ccccc1 ZINC001589021202 985011177 /nfs/dbraw/zinc/01/11/77/985011177.db2.gz NDNNTGVRRHFRQQ-NRFANRHFSA-N -1 0 348.402 3.141 20 30 EGEDRM CC(=NOCc1ncoc1C(C)C)c1ccc(OCC(=O)[O-])cc1 ZINC001589021229 985011914 /nfs/dbraw/zinc/01/19/14/985011914.db2.gz NXLZQPLNHZCEER-UHFFFAOYSA-N -1 0 332.356 3.202 20 30 EGEDRM CC(=O)c1cc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)ccc1C ZINC001589268560 985955504 /nfs/dbraw/zinc/95/55/04/985955504.db2.gz UUVSYOCUMKTCJY-QGZVFWFLSA-N -1 0 337.331 3.052 20 30 EGEDRM Cc1c(C#N)cccc1C(=O)Nc1cccnc1SCCC(=O)[O-] ZINC001599973253 986044937 /nfs/dbraw/zinc/04/49/37/986044937.db2.gz NJUBJZQYHPVHIY-UHFFFAOYSA-N -1 0 341.392 3.081 20 30 EGEDRM Cc1c(C#N)cccc1C(=O)O[C@@H](Cc1ccc(Cl)cc1)C(=O)[O-] ZINC001599973463 986048322 /nfs/dbraw/zinc/04/83/22/986048322.db2.gz UTQKSQCKUFSDBE-INIZCTEOSA-N -1 0 343.766 3.373 20 30 EGEDRM Cc1c(C(=O)/C=C\c2ccc(/C=C\C(=O)[O-])o2)c(C#N)c2n1CCC2 ZINC001599974786 986072563 /nfs/dbraw/zinc/07/25/63/986072563.db2.gz IRYLPKKCJSXNPY-VRHVFUOLSA-N -1 0 336.347 3.201 20 30 EGEDRM CCOCc1nc(Cl)cc(N=NC(C)CC(C)(C)CC(=O)[O-])n1 ZINC001596952489 986124110 /nfs/dbraw/zinc/12/41/10/986124110.db2.gz RQGOGUHXVXBTSR-UHFFFAOYSA-N -1 0 342.827 3.345 20 30 EGEDRM C[C@](C#N)(CCc1ccccc1)NC(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC001589324059 986153172 /nfs/dbraw/zinc/15/31/72/986153172.db2.gz SLBDGSBBMGEAOV-QULHZPMSSA-N -1 0 338.363 3.022 20 30 EGEDRM C[C@](C#N)(CCc1ccccc1)NC(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC001589324058 986153606 /nfs/dbraw/zinc/15/36/06/986153606.db2.gz SLBDGSBBMGEAOV-IHHMQQGQSA-N -1 0 338.363 3.022 20 30 EGEDRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N(C[C@@H](C)C#N)C1CC1 ZINC001589329484 986163479 /nfs/dbraw/zinc/16/34/79/986163479.db2.gz OCOLOJFXPUOFDT-LBPRGKRZSA-N -1 0 345.399 3.328 20 30 EGEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(C(=O)[O-])[nH]1 ZINC001589331400 986185229 /nfs/dbraw/zinc/18/52/29/986185229.db2.gz DCOKTQABSHWTGL-JTQLQIEISA-N -1 0 329.381 3.217 20 30 EGEDRM C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001589335342 986209141 /nfs/dbraw/zinc/20/91/41/986209141.db2.gz OUSWFFVSDOETRD-NSHDSACASA-N -1 0 325.324 3.320 20 30 EGEDRM CCOc1cc(C#N)ccc1OCc1cc(C(=O)[O-])ccc1OC ZINC001596993557 986284183 /nfs/dbraw/zinc/28/41/83/986284183.db2.gz KJGLHXAXORHULC-UHFFFAOYSA-N -1 0 327.336 3.243 20 30 EGEDRM CCOc1ccc(O)c(/C=N/C[C@@](C)(C(=O)[O-])c2ccccc2)c1 ZINC001597130868 986853301 /nfs/dbraw/zinc/85/33/01/986853301.db2.gz YHSYDENRHASDDE-FUNKKEAFSA-N -1 0 327.380 3.252 20 30 EGEDRM C[C@@H](C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(F)cc1F ZINC001589540077 987239989 /nfs/dbraw/zinc/23/99/89/987239989.db2.gz HOUIQFOINJHHOS-QLJPJBMISA-N -1 0 345.301 3.309 20 30 EGEDRM CC(C)(C#N)CC(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC001589553730 987293419 /nfs/dbraw/zinc/29/34/19/987293419.db2.gz IXGAJIBXZIBMTR-UHFFFAOYSA-N -1 0 329.400 3.253 20 30 EGEDRM CC(C)(C(=O)[O-])c1cccc(OC(=O)Cc2ccccc2CC#N)c1 ZINC001589649878 987595697 /nfs/dbraw/zinc/59/56/97/987595697.db2.gz CEMZWCUYTFUMRX-UHFFFAOYSA-N -1 0 337.375 3.263 20 30 EGEDRM CCc1ccc([C@H](C#N)NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)cc1 ZINC001597508357 988087460 /nfs/dbraw/zinc/08/74/60/988087460.db2.gz OFWMADQZSUXEKF-DZIBYMRMSA-N -1 0 340.423 3.355 20 30 EGEDRM CCc1ccc(C=NOCC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)cc1 ZINC001597520382 988150753 /nfs/dbraw/zinc/15/07/53/988150753.db2.gz VFNVOACSHPKYDL-UHFFFAOYSA-N -1 0 328.368 3.126 20 30 EGEDRM CSCc1ccc(/C=C2/CCn3nc(C(=O)[O-])cc3C2=O)cc1 ZINC001599802405 988198631 /nfs/dbraw/zinc/19/86/31/988198631.db2.gz JEYARLDTNMOGBD-JYRVWZFOSA-N -1 0 328.393 3.114 20 30 EGEDRM CC(C)(C)c1ccc(C#N)c(N(CCc2ccccc2)CC(=O)[O-])n1 ZINC001590472859 990046333 /nfs/dbraw/zinc/04/63/33/990046333.db2.gz ZDAWMZULPOVMAY-UHFFFAOYSA-N -1 0 337.423 3.384 20 30 EGEDRM CC(C)(C)c1ccc(OCCNc2ccc(C(=O)[O-])nc2C#N)cc1 ZINC001590498311 990107060 /nfs/dbraw/zinc/10/70/60/990107060.db2.gz XCJRCOZRDWKAIS-UHFFFAOYSA-N -1 0 339.395 3.440 20 30 EGEDRM CC(C)(C)c1cccc(OCCNc2ccc(C(=O)[O-])nc2C#N)c1 ZINC001590499143 990112195 /nfs/dbraw/zinc/11/21/95/990112195.db2.gz RBBOZYBLKLAEPE-UHFFFAOYSA-N -1 0 339.395 3.440 20 30 EGEDRM CN(C(=O)Nc1cccc(CSCC(=O)[O-])c1)[C@@H]1CCC[C@@H]1C#N ZINC001598061512 990334157 /nfs/dbraw/zinc/33/41/57/990334157.db2.gz JEXFNHCYRGIKIF-UKRRQHHQSA-N -1 0 347.440 3.160 20 30 EGEDRM CC(C)(CNC(=O)Nc1cccc(C#Cc2ccccc2)c1)C(=O)[O-] ZINC001590738447 990532985 /nfs/dbraw/zinc/53/29/85/990532985.db2.gz QPBAKYPKCCATMB-UHFFFAOYSA-N -1 0 336.391 3.319 20 30 EGEDRM CC(C)[C@@H](CCc1ccccc1)C(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001590981545 991142187 /nfs/dbraw/zinc/14/21/87/991142187.db2.gz WKORCQRXVZHHEN-QGZVFWFLSA-N -1 0 342.439 3.108 20 30 EGEDRM CC(C)[C@H](OC(=O)c1cn(CCCC#N)c2ccccc12)C(=O)[O-] ZINC001591045934 991429379 /nfs/dbraw/zinc/42/93/79/991429379.db2.gz VTXGTUBFMWNJIC-INIZCTEOSA-N -1 0 328.368 3.211 20 30 EGEDRM CN(CC(C)(C)C#N)C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001598420075 991756332 /nfs/dbraw/zinc/75/63/32/991756332.db2.gz SPDHONNALYVBPT-CQSZACIVSA-N -1 0 331.416 3.030 20 30 EGEDRM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC001591343372 992325060 /nfs/dbraw/zinc/32/50/60/992325060.db2.gz ZDQZGPMLEZZYCT-IYARVYRRSA-N -1 0 342.439 3.434 20 30 EGEDRM CN(Cc1cc(C#N)cs1)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001598507673 992528757 /nfs/dbraw/zinc/52/87/57/992528757.db2.gz VIWLJAJLDMHWIH-UHFFFAOYSA-N -1 0 343.408 3.301 20 30 EGEDRM C[C@H](NC(=O)N1CCc2cccc(C(=O)[O-])c2C1)c1ccc(C#N)cc1 ZINC001593071900 993628252 /nfs/dbraw/zinc/62/82/52/993628252.db2.gz ZQPOMWIDFQDDJL-ZDUSSCGKSA-N -1 0 349.390 3.085 20 30 EGEDRM COc1ccc2c(c1)C(=O)/C(=C\c1cc(C(=O)[O-])oc1C)CCO2 ZINC001599626414 994154749 /nfs/dbraw/zinc/15/47/49/994154749.db2.gz RTTWHNQVNIFUBK-XFFZJAGNSA-N -1 0 328.320 3.344 20 30 EGEDRM C[C@@H](OC(=O)C1(c2cc(F)cc(C#N)c2)CC1)c1ccc(C(=O)[O-])o1 ZINC001593496927 995478143 /nfs/dbraw/zinc/47/81/43/995478143.db2.gz RBAFAGKKNMHDLX-SNVBAGLBSA-N -1 0 343.310 3.325 20 30 EGEDRM C[C@]1(C#N)CCCN(C(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)C1 ZINC001593740608 996357681 /nfs/dbraw/zinc/35/76/81/996357681.db2.gz SNJMULRLWUHFBJ-OAHLLOKOSA-N -1 0 339.754 3.335 20 30 EGEDRM COc1cc(/C=C/C(=O)[O-])ccc1OCCCC1(C#N)CCOCC1 ZINC001599399279 997185477 /nfs/dbraw/zinc/18/54/77/997185477.db2.gz KAAOSVYUJLRQMZ-GQCTYLIASA-N -1 0 345.395 3.272 20 30 EGEDRM COc1cc(C=NNc2ccc(C)c(C(=O)[O-])c2)ccc1OCC#N ZINC001599401082 997216047 /nfs/dbraw/zinc/21/60/47/997216047.db2.gz VZDUEVGRDSYGKM-UHFFFAOYSA-N -1 0 339.351 3.050 20 30 EGEDRM COc1cc(CNc2ncc(C#N)c3ccsc32)ccc1C(=O)[O-] ZINC001599419200 997564845 /nfs/dbraw/zinc/56/48/45/997564845.db2.gz XPNBSUZFQBBVFL-UHFFFAOYSA-N -1 0 339.376 3.487 20 30 EGEDRM COc1cc(OC)c(C(=O)/C=C\c2ccc(C(=O)[O-])n2C)cc1Cl ZINC001599447719 998036018 /nfs/dbraw/zinc/03/60/18/998036018.db2.gz UOJLCQATIFHXPW-ALCCZGGFSA-N -1 0 349.770 3.290 20 30 EGEDRM C[C@@H]1CC[C@](NC(=O)Cc2ccc(C#N)cc2)(C(=O)[O-])c2ccccc21 ZINC001594315549 999222435 /nfs/dbraw/zinc/22/24/35/999222435.db2.gz YTHZOTOCFQMHEX-SPLOXXLWSA-N -1 0 348.402 3.094 20 30 EGEDRM N#CC(=C([O-])c1ccccc1[N+](=O)[O-])c1ccc(C(F)(F)F)cn1 ZINC000041555727 201092848 /nfs/dbraw/zinc/09/28/48/201092848.db2.gz XTFNZHOFWMFMIH-NSHDSACASA-N -1 0 335.241 3.499 20 30 EGEDRM COc1ccc(-n2ccc(C([O-])=C(C#N)c3nc(C)cs3)n2)cc1 ZINC000066504243 201158347 /nfs/dbraw/zinc/15/83/47/201158347.db2.gz RIIXMCWZBHQCCT-AWEZNQCLSA-N -1 0 338.392 3.136 20 30 EGEDRM C=C[C@H](CC(=O)N1CC[C@](C(=O)[O-])(C(F)(F)F)C1)c1ccccc1 ZINC000263165175 201207255 /nfs/dbraw/zinc/20/72/55/201207255.db2.gz YGCIMHLJPNPIDF-WBMJQRKESA-N -1 0 341.329 3.212 20 30 EGEDRM N#Cc1cccc(COc2cccc(NC(=O)c3ncccc3[O-])c2)c1 ZINC000338081735 141089822 /nfs/dbraw/zinc/08/98/22/141089822.db2.gz GBXQENBWIDTCOV-UHFFFAOYSA-N -1 0 345.358 3.490 20 30 EGEDRM Cc1ccc(S[C@H](C)C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)cc1 ZINC000359713806 141408475 /nfs/dbraw/zinc/40/84/75/141408475.db2.gz FGIVWSWCJOMVFZ-LLVKDONJSA-N -1 0 326.425 3.008 20 30 EGEDRM Cc1ccc([N-]S(=O)(=O)c2ccccc2C#N)cc1-c1ncco1 ZINC000164754590 143985291 /nfs/dbraw/zinc/98/52/91/143985291.db2.gz SVUPQPWIGXWQJL-UHFFFAOYSA-N -1 0 339.376 3.323 20 30 EGEDRM Cc1cc(C(=O)N=c2[n-]n(C(C)C)cc2C#N)nn1C1CCCCC1 ZINC000345279045 156032700 /nfs/dbraw/zinc/03/27/00/156032700.db2.gz YEMXHWGHIBZQCS-UHFFFAOYSA-N -1 0 340.431 3.020 20 30 EGEDRM CCc1c(NC(=O)c2ccc(C#N)c([O-])c2)cnn1-c1ccccc1 ZINC000346126951 164343292 /nfs/dbraw/zinc/34/32/92/164343292.db2.gz ITKOYVMFFWKBPA-UHFFFAOYSA-N -1 0 332.363 3.264 20 30 EGEDRM N#Cc1cc(Cl)ccc1COc1ccc(-c2n[n-]c(=N)o2)cc1 ZINC000359344767 167131638 /nfs/dbraw/zinc/13/16/38/167131638.db2.gz HSWUIBJHJFXHBI-UHFFFAOYSA-N -1 0 326.743 3.253 20 30 EGEDRM CC(C)(C(=O)N=c1[nH][n-]c(C2CC2)c1C#N)c1ccc(Cl)cc1 ZINC000359716025 167213119 /nfs/dbraw/zinc/21/31/19/167213119.db2.gz KXOHSGRRTWVKDK-UHFFFAOYSA-N -1 0 328.803 3.150 20 30 EGEDRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ncccc2C#N)c1Cl ZINC000443135319 270052116 /nfs/dbraw/zinc/05/21/16/270052116.db2.gz CRILZSPADOMWOV-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM Cc1cc(F)cc([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)c1 ZINC000155020289 267328752 /nfs/dbraw/zinc/32/87/52/267328752.db2.gz SRYSOUYLXFSZTH-UHFFFAOYSA-N -1 0 326.299 3.085 20 30 EGEDRM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000439247570 267354880 /nfs/dbraw/zinc/35/48/80/267354880.db2.gz NHVAFCQYTHRWJZ-UHFFFAOYSA-N -1 0 339.779 3.193 20 30 EGEDRM Cc1ccc(-c2csc(C(C#N)=C([O-])c3cnn(C)c3C#N)n2)cc1 ZINC000361665629 267369245 /nfs/dbraw/zinc/36/92/45/267369245.db2.gz YNYPDPASPANSJN-ZDUSSCGKSA-N -1 0 347.403 3.214 20 30 EGEDRM Cc1ccccc1CCc1cc(NC(=O)c2ccc(C#N)c([O-])c2)n[nH]1 ZINC000191236878 267498471 /nfs/dbraw/zinc/49/84/71/267498471.db2.gz ZQKWJXGGIXZBMO-UHFFFAOYSA-N -1 0 346.390 3.333 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2c[nH]nc2-c2ccccc2)ccc1C#N ZINC000446754941 268017774 /nfs/dbraw/zinc/01/77/74/268017774.db2.gz YZINVWCVZNIHCF-UHFFFAOYSA-N -1 0 338.392 3.058 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3s2)cc1F ZINC000427777452 268261385 /nfs/dbraw/zinc/26/13/85/268261385.db2.gz DFLAHPWGBIKOER-UHFFFAOYSA-N -1 0 333.369 3.108 20 30 EGEDRM CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)no1 ZINC000476907555 269598522 /nfs/dbraw/zinc/59/85/22/269598522.db2.gz GQEOJSNLTDCQTI-UHFFFAOYSA-N -1 0 339.804 3.298 20 30 EGEDRM CCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cc1 ZINC000182989355 275209759 /nfs/dbraw/zinc/20/97/59/275209759.db2.gz DMYKAHRSACRCAA-UHFFFAOYSA-N -1 0 336.800 3.411 20 30 EGEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000545999293 314802198 /nfs/dbraw/zinc/80/21/98/314802198.db2.gz OWVKCEFCVJSXGS-UHFFFAOYSA-N -1 0 328.349 3.114 20 30 EGEDRM CC[C@H](C)n1ncc2c1nc(/C=C\c1cc(C#N)n(C)c1)cc2C(=O)[O-] ZINC000572606046 317364088 /nfs/dbraw/zinc/36/40/88/317364088.db2.gz CABIVSJDGKEGKL-FJOGCWAESA-N -1 0 349.394 3.481 20 30 EGEDRM N#Cc1ccc(C(=O)N2CCc3ccc(Br)cc32)cc1[O-] ZINC000188394680 456054707 /nfs/dbraw/zinc/05/47/07/456054707.db2.gz UHPFIIVTTBDCKS-UHFFFAOYSA-N -1 0 343.180 3.229 20 30 EGEDRM CC1(C)CCCc2cc(C#N)c(N3CCC[C@H](CC(=O)[O-])C3)nc21 ZINC000576210795 324567847 /nfs/dbraw/zinc/56/78/47/324567847.db2.gz YBXJZHGUVPYMHD-CYBMUJFWSA-N -1 0 327.428 3.258 20 30 EGEDRM N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)CC1(C(=O)[O-])CCCCC1 ZINC000581000101 325319260 /nfs/dbraw/zinc/31/92/60/325319260.db2.gz KNMHRBGZKWODAV-QGZVFWFLSA-N -1 0 340.423 3.477 20 30 EGEDRM C=CC[C@H](CC)NS(=O)(=O)c1cc(C)c(Br)s1 ZINC000393786944 457467679 /nfs/dbraw/zinc/46/76/79/457467679.db2.gz OUXNVGNVANABTK-VIFPVBQESA-N -1 0 338.292 3.452 20 30 EGEDRM CC(C)c1cc([N-]S(=O)(=O)c2ccc(CC#N)cc2Cl)n[nH]1 ZINC000450977410 458460917 /nfs/dbraw/zinc/46/09/17/458460917.db2.gz IIEQRIZFFFUSAE-UHFFFAOYSA-N -1 0 338.820 3.053 20 30 EGEDRM Cc1nc2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3F)cc2s1 ZINC000158000241 455258263 /nfs/dbraw/zinc/25/82/63/455258263.db2.gz RSNSAMCCGPQPOR-UHFFFAOYSA-N -1 0 347.396 3.416 20 30 EGEDRM CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2F)cc1 ZINC000158027579 455260688 /nfs/dbraw/zinc/26/06/88/455260688.db2.gz YDLQXNROSMVLTK-UHFFFAOYSA-N -1 0 343.383 3.299 20 30 EGEDRM Cc1cc2sc([N-]S(=O)(=O)c3cccc(C#N)c3)nc2c(C)c1 ZINC000006316302 452935798 /nfs/dbraw/zinc/93/57/98/452935798.db2.gz YPPOLYDDWYQJPP-UHFFFAOYSA-N -1 0 343.433 3.008 20 30 EGEDRM C[C@H]1CN(c2c(C#N)cnc3ccc(Cl)cc32)CC[C@H]1C(=O)[O-] ZINC000600801517 460609938 /nfs/dbraw/zinc/60/99/38/460609938.db2.gz RCZULUYOIZLNHO-GXFFZTMASA-N -1 0 329.787 3.307 20 30 EGEDRM N#Cc1nc(NC(=O)CCc2ccc(Cl)cc2Cl)[n-]c1C#N ZINC000026266660 453795296 /nfs/dbraw/zinc/79/52/96/453795296.db2.gz DOWNTYYKXSAHQB-UHFFFAOYSA-N -1 0 334.166 3.031 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2ccn(-c3ccc(F)cc3F)n2)n1 ZINC000184278022 455368208 /nfs/dbraw/zinc/36/82/08/455368208.db2.gz DDQABUPXZBBPFR-LLVKDONJSA-N -1 0 344.346 3.406 20 30 EGEDRM CCOC(=O)c1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)nc1C ZINC000066516895 453849285 /nfs/dbraw/zinc/84/92/85/453849285.db2.gz XBXCRKUSCFUQHA-ZDUSSCGKSA-N -1 0 349.346 3.198 20 30 EGEDRM C=CCOc1cccc([N-]S(=O)(=O)c2c(F)cccc2F)c1 ZINC000057124085 454103683 /nfs/dbraw/zinc/10/36/83/454103683.db2.gz BUBDSIFGLQVSCK-UHFFFAOYSA-N -1 0 325.336 3.330 20 30 EGEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000057125637 454104376 /nfs/dbraw/zinc/10/43/76/454104376.db2.gz HCSKUIFVWCKABE-UHFFFAOYSA-N -1 0 342.420 3.246 20 30 EGEDRM COc1cc(C(=O)/C=C/c2cccc(OCCC(=O)[O-])c2)ccc1O ZINC000058229798 454173655 /nfs/dbraw/zinc/17/36/55/454173655.db2.gz VVUJMSSYVPJUBJ-FNORWQNLSA-N -1 0 342.347 3.150 20 30 EGEDRM Cc1nc2ccc([N-]S(=O)(=O)c3cccc(Cl)c3C#N)cc2o1 ZINC000071080508 454199307 /nfs/dbraw/zinc/19/93/07/454199307.db2.gz HJRXGCMBWYBYDO-UHFFFAOYSA-N -1 0 347.783 3.462 20 30 EGEDRM O=C(/C=C/c1ccsc1)c1ccc([O-])c(CN2CCOCC2)c1 ZINC000119819961 454223322 /nfs/dbraw/zinc/22/33/22/454223322.db2.gz XCPXLDUVKITECW-HNQUOIGGSA-N -1 0 329.421 3.182 20 30 EGEDRM Cc1c(C([O-])=C(C#N)c2nc3ccccc3n2C)cccc1[N+](=O)[O-] ZINC000078320763 454230776 /nfs/dbraw/zinc/23/07/76/454230776.db2.gz FEEWJKAFRSIJFP-ZDUSSCGKSA-N -1 0 334.335 3.280 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)CCCc2csc(C)n2)s1 ZINC000079023927 454356740 /nfs/dbraw/zinc/35/67/40/454356740.db2.gz MXJSHPVMZBBMCH-UHFFFAOYSA-N -1 0 344.483 3.490 20 30 EGEDRM N#C[C@H]1CN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])CCO1 ZINC000133389707 454419893 /nfs/dbraw/zinc/41/98/93/454419893.db2.gz LVVRJAYUDHJTNY-AWEZNQCLSA-N -1 0 342.782 3.077 20 30 EGEDRM CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000133963937 454487566 /nfs/dbraw/zinc/48/75/66/454487566.db2.gz CXKZQJYTVYKYPV-UHFFFAOYSA-N -1 0 339.351 3.223 20 30 EGEDRM Cc1noc(C(C)C)c1C(=O)[N-]S(=O)(=O)c1cc(C)ccc1C ZINC000048471999 454492216 /nfs/dbraw/zinc/49/22/16/454492216.db2.gz FQAKCWLIDMCROZ-UHFFFAOYSA-N -1 0 336.413 3.417 20 30 EGEDRM CC(C)S(=O)(=O)[N-]C(=O)C=Cc1ccc(Br)s1 ZINC000049417762 454548423 /nfs/dbraw/zinc/54/84/23/454548423.db2.gz ACLOJCCAEKXPCM-GQCTYLIASA-N -1 0 338.248 3.219 20 30 EGEDRM N#Cc1nc(NC(=O)CCc2cc(Cl)cc(Cl)c2)[n-]c1C#N ZINC000134911264 454608746 /nfs/dbraw/zinc/60/87/46/454608746.db2.gz QUWMJGSOTLMECI-UHFFFAOYSA-N -1 0 334.166 3.031 20 30 EGEDRM C=CCCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000065655514 454609578 /nfs/dbraw/zinc/60/95/78/454609578.db2.gz HNKIRSPSANUEJK-VIFPVBQESA-N -1 0 335.784 3.106 20 30 EGEDRM Cc1cc2cc([N-]S(=O)(=O)c3cccc(C)c3C#N)ccc2[nH]1 ZINC000137249604 454773212 /nfs/dbraw/zinc/77/32/12/454773212.db2.gz QAOPBNOSRZVSCJ-UHFFFAOYSA-N -1 0 325.393 3.457 20 30 EGEDRM N#CCC[C@H](NC(=O)c1nn(-c2ccccc2)cc1[O-])c1ccccc1 ZINC000153298186 454779694 /nfs/dbraw/zinc/77/96/94/454779694.db2.gz SDJGWRHRQWSQQT-KRWDZBQOSA-N -1 0 346.390 3.353 20 30 EGEDRM CC(=O)Nc1cccc(Cn2[n-]c(C(C)(C)C)c(CCC#N)c2=O)c1 ZINC000153486983 454798404 /nfs/dbraw/zinc/79/84/04/454798404.db2.gz HHYNZYLJIQSMGI-UHFFFAOYSA-N -1 0 340.427 3.349 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2OCC2CC2)c(F)c1 ZINC000150874905 454905831 /nfs/dbraw/zinc/90/58/31/454905831.db2.gz PDUPQSGNDYIWLP-UHFFFAOYSA-N -1 0 346.383 3.287 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2nn(C(C)C)cc2C#N)c(Cl)c1 ZINC000160659585 455485332 /nfs/dbraw/zinc/48/53/32/455485332.db2.gz PQLGSWQMQCDSEX-UHFFFAOYSA-N -1 0 338.820 3.098 20 30 EGEDRM COc1ccc(C#N)cc1Cn1[n-]c(C(C)(C)C)c(CCC#N)c1=O ZINC000179973087 455109167 /nfs/dbraw/zinc/10/91/67/455109167.db2.gz HNSLSELGBSKTCM-UHFFFAOYSA-N -1 0 338.411 3.271 20 30 EGEDRM Cn1cc(C([O-])=C(C#N)c2cnc3ccccc3n2)c(C(C)(C)C)n1 ZINC000190913946 455404071 /nfs/dbraw/zinc/40/40/71/455404071.db2.gz OANHZLVGLIPBFU-GFCCVEGCSA-N -1 0 333.395 3.151 20 30 EGEDRM N#Cc1ccccc1[N-]S(=O)(=O)c1ccc(CC(F)(F)F)cc1 ZINC000191784430 455519470 /nfs/dbraw/zinc/51/94/70/455519470.db2.gz XPAIMXHUPSIBQA-UHFFFAOYSA-N -1 0 340.326 3.464 20 30 EGEDRM COc1ccc(Cl)c(S(=O)(=O)N[C@H](C#N)C2CCCCC2)c1 ZINC000161119317 455536056 /nfs/dbraw/zinc/53/60/56/455536056.db2.gz RNXXSIZUSKXQQP-CQSZACIVSA-N -1 0 342.848 3.099 20 30 EGEDRM N#CCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1ccccc1 ZINC000185444890 455559554 /nfs/dbraw/zinc/55/95/54/455559554.db2.gz ZTHWITGEJYUEAK-OAHLLOKOSA-N -1 0 325.324 3.075 20 30 EGEDRM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C)oc2C)cc1 ZINC000182776281 455585034 /nfs/dbraw/zinc/58/50/34/455585034.db2.gz PARAKSOYJZLQTM-UHFFFAOYSA-N -1 0 349.412 3.005 20 30 EGEDRM COC(=O)Nc1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)cc1 ZINC000193276036 455750384 /nfs/dbraw/zinc/75/03/84/455750384.db2.gz UXCLNOMLBHFFBU-ZDUSSCGKSA-N -1 0 335.319 3.496 20 30 EGEDRM Cc1c([N-]S(=O)(=O)c2ccc(C#N)cc2C)cnn1C1CCCC1 ZINC000194221215 455817680 /nfs/dbraw/zinc/81/76/80/455817680.db2.gz XZBUEJSSNJWQOF-UHFFFAOYSA-N -1 0 344.440 3.288 20 30 EGEDRM O=[N+]([O-])c1cc(Cl)cc(C=Nc2ccc3c(c2)OCCO3)c1[O-] ZINC000252631851 455824983 /nfs/dbraw/zinc/82/49/83/455824983.db2.gz VNGOQTYMKFHZMD-UHFFFAOYSA-N -1 0 334.715 3.476 20 30 EGEDRM C=CCC[C@H](NC(=O)C(C)(C)Oc1cccc(Cl)c1)C(=O)[O-] ZINC000262951164 456071609 /nfs/dbraw/zinc/07/16/09/456071609.db2.gz QQWXSWAMLAKLMJ-ZDUSSCGKSA-N -1 0 325.792 3.033 20 30 EGEDRM C=CCC[C@H](NC(=O)CCc1ccccc1OC(F)(F)F)C(=O)[O-] ZINC000263011639 456077012 /nfs/dbraw/zinc/07/70/12/456077012.db2.gz XHSSFIGLQKGUGK-LBPRGKRZSA-N -1 0 345.317 3.053 20 30 EGEDRM CC(=O)Nc1cc(Cl)ccc1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000188563299 456085231 /nfs/dbraw/zinc/08/52/31/456085231.db2.gz ODFMRQAACYFARP-UHFFFAOYSA-N -1 0 329.743 3.128 20 30 EGEDRM Cc1cc([N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)nn1CCC#N ZINC000271023327 456100868 /nfs/dbraw/zinc/10/08/68/456100868.db2.gz GSBKSJVOLIXWSU-UHFFFAOYSA-N -1 0 346.456 3.140 20 30 EGEDRM C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C(F)(F)F ZINC000288683397 456103106 /nfs/dbraw/zinc/10/31/06/456103106.db2.gz USLSZRIOMQEAPZ-RXMQYKEDSA-N -1 0 339.232 3.074 20 30 EGEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000263485245 456156756 /nfs/dbraw/zinc/15/67/56/456156756.db2.gz MJWBHAVPBXZZNN-PXAZEXFGSA-N -1 0 347.440 3.409 20 30 EGEDRM CC(C)(C(=O)[N-]OCCCC1(C#N)CCOCC1)c1ccccc1 ZINC000281308505 456196332 /nfs/dbraw/zinc/19/63/32/456196332.db2.gz KJXBIBOFYQMQMY-UHFFFAOYSA-N -1 0 330.428 3.113 20 30 EGEDRM CNC(=O)C1CCC(/N=C/c2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000273199971 456212270 /nfs/dbraw/zinc/21/22/70/456212270.db2.gz KXKLJAUSMXICHA-UFWORHAWSA-N -1 0 329.227 3.423 20 30 EGEDRM CCCCCCCS(=O)(=O)[N-]c1cccc(Cl)c1C(N)=O ZINC000281997384 456386060 /nfs/dbraw/zinc/38/60/60/456386060.db2.gz QBROMMTYDUXFOG-UHFFFAOYSA-N -1 0 332.853 3.151 20 30 EGEDRM C=CCc1cc(CNc2cc(C(=O)[O-])ccc2OC)cc(OC)c1O ZINC000340680977 456619635 /nfs/dbraw/zinc/61/96/35/456619635.db2.gz YWYHMHUAGHFEIR-UHFFFAOYSA-N -1 0 343.379 3.448 20 30 EGEDRM CSc1ccc(C([O-])=C(C#N)c2cc(C)nc(C)n2)cc1[N+](=O)[O-] ZINC000338332633 456774617 /nfs/dbraw/zinc/77/46/17/456774617.db2.gz OORZXCYQLOYJQS-GFCCVEGCSA-N -1 0 342.380 3.214 20 30 EGEDRM C[C@@H](C#N)CSc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000340973709 456791691 /nfs/dbraw/zinc/79/16/91/456791691.db2.gz ZBLSNFAOIONVOG-NSHDSACASA-N -1 0 347.421 3.204 20 30 EGEDRM CCn1nncc1C([O-])=C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000344855313 456868189 /nfs/dbraw/zinc/86/81/89/456868189.db2.gz NJUZELQSVQCEIF-VIFPVBQESA-N -1 0 331.788 3.051 20 30 EGEDRM N#C[C@@H](C(=O)c1cncc(C(F)(F)F)c1)c1nc2ccccc2[nH]1 ZINC000344854462 456868921 /nfs/dbraw/zinc/86/89/21/456868921.db2.gz XHAGSAPSJAKLAC-NSHDSACASA-N -1 0 330.269 3.467 20 30 EGEDRM C[C@@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])[C@@H]1OCCc2sccc21 ZINC000292192129 456880790 /nfs/dbraw/zinc/88/07/90/456880790.db2.gz ZBMAKAQQPNWXHI-YAZJPYHCSA-N -1 0 332.381 3.483 20 30 EGEDRM CC[C@H](OC)C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000345907877 457005665 /nfs/dbraw/zinc/00/56/65/457005665.db2.gz PURZWPINYNKZBE-SFHVURJKSA-N -1 0 337.375 3.148 20 30 EGEDRM CCS(=O)(=O)[N-]c1ccccc1C(=O)NC1CCC(F)(F)CC1 ZINC000330516542 457052084 /nfs/dbraw/zinc/05/20/84/457052084.db2.gz WRFRDQOPJXUNFR-UHFFFAOYSA-N -1 0 346.399 3.331 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2SC[C@H](C)C#N)cn1 ZINC000349967080 457125326 /nfs/dbraw/zinc/12/53/26/457125326.db2.gz RUBMVBJHQZKBPN-GFCCVEGCSA-N -1 0 347.465 3.443 20 30 EGEDRM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(C)c1C#N ZINC000362877950 457138782 /nfs/dbraw/zinc/13/87/82/457138782.db2.gz UKXJFTHKSBDBMQ-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)N(C)[C@@H](C)C2CCCCC2)cc1C#N ZINC000331326261 457166638 /nfs/dbraw/zinc/16/66/38/457166638.db2.gz OXOLRNXEXSBGSB-NSHDSACASA-N -1 0 333.457 3.422 20 30 EGEDRM C=CCn1c(Cc2c[nH]c3ccccc23)n[n-]c1=Nc1c(C)n[nH]c1C ZINC000350730979 457201731 /nfs/dbraw/zinc/20/17/31/457201731.db2.gz XGHNJADBVWJITO-UHFFFAOYSA-N -1 0 347.426 3.042 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)c2ccncn2)nn1-c1ccccc1Cl ZINC000354469019 457243717 /nfs/dbraw/zinc/24/37/17/457243717.db2.gz MHQHZFOPHUBVPA-GFCCVEGCSA-N -1 0 337.770 3.114 20 30 EGEDRM N#Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C(F)F)cc1 ZINC000342447166 457309071 /nfs/dbraw/zinc/30/90/71/457309071.db2.gz LZDZNCHXLNPTGE-UHFFFAOYSA-N -1 0 326.299 3.436 20 30 EGEDRM N#Cc1cncc(S(=O)(=O)[N-]c2cccc(-c3ccccc3)c2)c1 ZINC000357084360 457313920 /nfs/dbraw/zinc/31/39/20/457313920.db2.gz PVWAYZGJBOBIHG-UHFFFAOYSA-N -1 0 335.388 3.421 20 30 EGEDRM C=CCCOCCNC(=O)c1nn(-c2cccc(C(C)C)c2)cc1[O-] ZINC000339929315 457314676 /nfs/dbraw/zinc/31/46/76/457314676.db2.gz QLQUUEWBQYXYDM-UHFFFAOYSA-N -1 0 343.427 3.024 20 30 EGEDRM COCc1ncsc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000342459995 457314797 /nfs/dbraw/zinc/31/47/97/457314797.db2.gz CRDDQLVIGANURK-VIFPVBQESA-N -1 0 341.314 3.193 20 30 EGEDRM COCc1ncsc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000342459994 457315283 /nfs/dbraw/zinc/31/52/83/457315283.db2.gz CRDDQLVIGANURK-SECBINFHSA-N -1 0 341.314 3.193 20 30 EGEDRM N#CCn1c(/C=C\c2ccc(OCC(=O)[O-])cc2)nc2ccccc21 ZINC000352020304 457334368 /nfs/dbraw/zinc/33/43/68/457334368.db2.gz GUSUDGCXXTTZCQ-YFHOEESVSA-N -1 0 333.347 3.194 20 30 EGEDRM CC(C)(C#N)c1ccc(C(=O)N=c2[n-]nc(-c3ccccn3)s2)cc1 ZINC000355037312 457337804 /nfs/dbraw/zinc/33/78/04/457337804.db2.gz LXWRAVDUSCQLKN-UHFFFAOYSA-N -1 0 349.419 3.075 20 30 EGEDRM Cc1c([N-]S(=O)(=O)c2cncc(C#N)c2)cccc1C(F)(F)F ZINC000357135094 457339528 /nfs/dbraw/zinc/33/95/28/457339528.db2.gz YDDJQECIQZYIQC-UHFFFAOYSA-N -1 0 341.314 3.081 20 30 EGEDRM CSCc1cccnc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000355120906 457342325 /nfs/dbraw/zinc/34/23/25/457342325.db2.gz VAVYKUMQYQXELY-ZDUSSCGKSA-N -1 0 336.420 3.321 20 30 EGEDRM Cc1[n-][nH]c(=NC(=O)c2occc2CSc2ccccc2)c1C#N ZINC000357252829 457401920 /nfs/dbraw/zinc/40/19/20/457401920.db2.gz GRZCFKMUEPZBAE-UHFFFAOYSA-N -1 0 338.392 3.149 20 30 EGEDRM COc1ccccc1Nc1ccccc1C(=O)N=c1[nH][n-]c(C)c1C#N ZINC000357260202 457406467 /nfs/dbraw/zinc/40/64/67/457406467.db2.gz PMRXRIDXTLPGRD-UHFFFAOYSA-N -1 0 347.378 3.016 20 30 EGEDRM CC[C@H](C)n1ncc([N-]S(=O)(=O)c2ccccc2CC#N)c1C ZINC000355846953 457422889 /nfs/dbraw/zinc/42/28/89/457422889.db2.gz RMBBKLKVAODYRC-LBPRGKRZSA-N -1 0 332.429 3.029 20 30 EGEDRM C=CCCS(=O)(=O)[N-][C@@H](c1c[nH]c2ccccc21)C(F)(F)F ZINC000443445929 457766829 /nfs/dbraw/zinc/76/68/29/457766829.db2.gz NSDCEXMKMGXLPD-ZDUSSCGKSA-N -1 0 332.347 3.267 20 30 EGEDRM N#CC(=C([O-])c1cn2ccnc2s1)c1ccc(C(F)(F)F)cn1 ZINC000443529574 457777135 /nfs/dbraw/zinc/77/71/35/457777135.db2.gz HAFIPARKKFFXFU-VIFPVBQESA-N -1 0 336.298 3.300 20 30 EGEDRM CC[C@@H](C)[C@H]([N-]S(=O)(=O)CC1(C#N)CCCCC1)C(F)(F)F ZINC000443926359 457824102 /nfs/dbraw/zinc/82/41/02/457824102.db2.gz GLIUYRGRRXPRRF-NEPJUHHUSA-N -1 0 340.411 3.357 20 30 EGEDRM CC[C@H](C)[C@@H]([N-]S(=O)(=O)CC1(C#N)CCCCC1)C(F)(F)F ZINC000443926365 457825578 /nfs/dbraw/zinc/82/55/78/457825578.db2.gz GLIUYRGRRXPRRF-NWDGAFQWSA-N -1 0 340.411 3.357 20 30 EGEDRM C=C(C)C[C@H](C)C(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccc(F)cc2F)C1 ZINC000368312489 458026010 /nfs/dbraw/zinc/02/60/10/458026010.db2.gz MXLWQUFBQKZMOA-GLQYFDAESA-N -1 0 337.366 3.194 20 30 EGEDRM COC(=O)c1cccc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)c1 ZINC000362119576 458030982 /nfs/dbraw/zinc/03/09/82/458030982.db2.gz ROTIKCRHVFSQFY-ZDUSSCGKSA-N -1 0 348.280 3.377 20 30 EGEDRM CC(C)c1cc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)nn1C ZINC000362141561 458034771 /nfs/dbraw/zinc/03/47/71/458034771.db2.gz XXVPELAMKZXLRH-LLVKDONJSA-N -1 0 336.317 3.447 20 30 EGEDRM C=CC[C@H]1N(S(=O)(=O)c2cc(C(=O)[O-])oc2C)CCCC1(C)C ZINC000435467730 458152218 /nfs/dbraw/zinc/15/22/18/458152218.db2.gz KBXZCDNADYBWLS-CQSZACIVSA-N -1 0 341.429 3.042 20 30 EGEDRM CCCOc1cccnc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000429115167 458274658 /nfs/dbraw/zinc/27/46/58/458274658.db2.gz NTUZQIWEMNZPSI-CYBMUJFWSA-N -1 0 334.379 3.247 20 30 EGEDRM C[C@@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1cccn1C ZINC000414374090 458318352 /nfs/dbraw/zinc/31/83/52/458318352.db2.gz NUJOVEBCMJIOMP-LBPRGKRZSA-N -1 0 335.454 3.220 20 30 EGEDRM CCCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)[C@H](C#N)CC)c1 ZINC000416965312 458358470 /nfs/dbraw/zinc/35/84/70/458358470.db2.gz XFRCIRPBIQVRSI-NSHDSACASA-N -1 0 343.836 3.122 20 30 EGEDRM CC(C)(C)Oc1ccc(NC(=O)N2CC[C@@](C)(C(=O)[O-])C2)cc1C#N ZINC000417769776 458367616 /nfs/dbraw/zinc/36/76/16/458367616.db2.gz BDICXFGDVNISCZ-GOSISDBHSA-N -1 0 345.399 3.064 20 30 EGEDRM CC(C)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])cc1C#N ZINC000436999797 458421000 /nfs/dbraw/zinc/42/10/00/458421000.db2.gz RRIYBMAGVJLINM-UHFFFAOYSA-N -1 0 341.323 3.212 20 30 EGEDRM C[C@@H]1C[C@]1(C#N)C(=O)Nc1cc(Cl)cc(Br)c1[O-] ZINC000450049108 458438681 /nfs/dbraw/zinc/43/86/81/458438681.db2.gz YCBDPTRROMCQKE-SREIQFSDSA-N -1 0 329.581 3.296 20 30 EGEDRM N#CC(=C([O-])c1ccc(C(N)=O)o1)c1nc2cc(Cl)ccc2s1 ZINC000437378283 458450007 /nfs/dbraw/zinc/45/00/07/458450007.db2.gz ZTXAQOHRVKEMSA-MRVPVSSYSA-N -1 0 345.767 3.132 20 30 EGEDRM Cn1c(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)ccc1[N+](=O)[O-] ZINC000430645071 458474399 /nfs/dbraw/zinc/47/43/99/458474399.db2.gz NNBYIOKMSNMMTB-SECBINFHSA-N -1 0 332.385 3.177 20 30 EGEDRM N#CC(=C([O-])c1cc2n(n1)CCCC2)c1cc(C(F)(F)F)ccn1 ZINC000453793214 458546574 /nfs/dbraw/zinc/54/65/74/458546574.db2.gz MGBDWPHNKVOWCG-LBPRGKRZSA-N -1 0 334.301 3.123 20 30 EGEDRM C=CCOc1cccnc1C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000431543907 458586870 /nfs/dbraw/zinc/58/68/70/458586870.db2.gz OFPLYRRIAITZIW-UHFFFAOYSA-N -1 0 340.379 3.261 20 30 EGEDRM N#CC1(CS(=O)(=O)[N-][C@H](c2ccccc2)C(F)F)CCCCC1 ZINC000431634262 458599415 /nfs/dbraw/zinc/59/94/15/458599415.db2.gz GJEAPJFYECIWAD-CQSZACIVSA-N -1 0 342.411 3.386 20 30 EGEDRM CC(C)(C)N=c1[n-]nc(-c2cccc(C#N)c2)n1C[C@@H]1CCCCO1 ZINC000463085172 458675770 /nfs/dbraw/zinc/67/57/70/458675770.db2.gz DPYQDLUJURTMIF-INIZCTEOSA-N -1 0 339.443 3.018 20 30 EGEDRM CC1(C)COc2cc([N-]S(=O)(=O)c3ccc(C#N)s3)ccc21 ZINC000530141072 458695280 /nfs/dbraw/zinc/69/52/80/458695280.db2.gz PCJJGOGLVCXTOZ-UHFFFAOYSA-N -1 0 334.422 3.091 20 30 EGEDRM C=CCCCCNC(=O)N=c1[n-]nc(Cc2ccc(F)cc2)s1 ZINC000547448246 458741142 /nfs/dbraw/zinc/74/11/42/458741142.db2.gz HVCDTWNAJFGDEL-UHFFFAOYSA-N -1 0 334.420 3.168 20 30 EGEDRM CC(C)(C)OC(=O)N1CC[C@@H](CN=Nc2ccc(C(=O)[O-])cc2)C1 ZINC000496029151 459043127 /nfs/dbraw/zinc/04/31/27/459043127.db2.gz VALYEMNLAMBABM-LBPRGKRZSA-N -1 0 333.388 3.040 20 30 EGEDRM Cc1cc([C@@H](NC(=O)NCC2(C#N)CCCCC2)C(=O)[O-])ccc1F ZINC000594691204 459131341 /nfs/dbraw/zinc/13/13/41/459131341.db2.gz RLCUGTVBGBTWLV-OAHLLOKOSA-N -1 0 347.390 3.033 20 30 EGEDRM C=CCCC1(C(=O)N=c2nc(-c3cccc(OC)c3)[n-]s2)CC1 ZINC000479397235 459138702 /nfs/dbraw/zinc/13/87/02/459138702.db2.gz RIHFWAAUFRKKRH-UHFFFAOYSA-N -1 0 329.425 3.321 20 30 EGEDRM CCc1cc(C#N)c([N-]S(=O)(=O)c2cccc(CC#N)c2)s1 ZINC000590592717 459155265 /nfs/dbraw/zinc/15/52/65/459155265.db2.gz VSSHETHMXRKTIT-UHFFFAOYSA-N -1 0 331.422 3.049 20 30 EGEDRM C=C[C@H](C)O[N-]C(=O)[C@](C)(NC(=O)OC(C)(C)C)c1ccccc1 ZINC000496522873 459225556 /nfs/dbraw/zinc/22/55/56/459225556.db2.gz FGJVJDLXOJSBAN-SCLBCKFNSA-N -1 0 334.416 3.049 20 30 EGEDRM N#C[C@@H](Cc1ccccc1)Sc1n[n-]c(=NCc2ccco2)s1 ZINC000590809848 459228779 /nfs/dbraw/zinc/22/87/79/459228779.db2.gz TZNOHGSQHRHCBI-CQSZACIVSA-N -1 0 342.449 3.392 20 30 EGEDRM C=CCC[C@@H](NC(=O)NCc1ccc(C)cc1OCC1CC1)C(=O)[O-] ZINC000581473102 459272512 /nfs/dbraw/zinc/27/25/12/459272512.db2.gz DZTPVDWDUFHLDI-MRXNPFEDSA-N -1 0 346.427 3.002 20 30 EGEDRM CCCn1ncc([N-]S(=O)(=O)c2ccccc2CC#N)c1C1CC1 ZINC000560251239 459315261 /nfs/dbraw/zinc/31/52/61/459315261.db2.gz BQQPAVNJUZYEGH-UHFFFAOYSA-N -1 0 344.440 3.037 20 30 EGEDRM N#CC(=C([O-])c1cc2n(n1)CCCC2)c1nc(-c2ccncc2)cs1 ZINC000569559645 459471877 /nfs/dbraw/zinc/47/18/77/459471877.db2.gz IQJKXRVLNFDNGE-AWEZNQCLSA-N -1 0 349.419 3.228 20 30 EGEDRM C=CCN(C(=O)N=c1nc(-c2cccc(Cl)c2)[n-]s1)C1CC1 ZINC000541796771 459492618 /nfs/dbraw/zinc/49/26/18/459492618.db2.gz KBBFAAQUBOZZRR-UHFFFAOYSA-N -1 0 334.832 3.463 20 30 EGEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)NCC1(C(=O)[O-])CCC1 ZINC000596058342 459503999 /nfs/dbraw/zinc/50/39/99/459503999.db2.gz FJIVWJXGHNAIIT-LBPRGKRZSA-N -1 0 347.440 3.315 20 30 EGEDRM C=C(CNC(=O)c1nn(-c2ccc(OC)cc2)cc1[O-])c1ccccc1 ZINC000488905208 459556346 /nfs/dbraw/zinc/55/63/46/459556346.db2.gz VZOAHSOZNIWNQY-UHFFFAOYSA-N -1 0 349.390 3.030 20 30 EGEDRM N#Cc1ccc2c(c1)CCC[C@@H]2N=c1nc(C2CCOCC2)[n-]s1 ZINC000596278755 459581972 /nfs/dbraw/zinc/58/19/72/459581972.db2.gz RNCNNUONTYHDST-INIZCTEOSA-N -1 0 340.452 3.215 20 30 EGEDRM Cc1cc(-c2ccc(C#N)cc2)ccc1C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000584124759 459662483 /nfs/dbraw/zinc/66/24/83/459662483.db2.gz PPGZOTMYGCOJBM-SFHVURJKSA-N -1 0 348.402 3.471 20 30 EGEDRM CCC(CC)c1n[n-]c(=NC(=O)NCCc2ccc(C#N)cc2)s1 ZINC000596658849 459717615 /nfs/dbraw/zinc/71/76/15/459717615.db2.gz XHUPSCNQUQZWPM-UHFFFAOYSA-N -1 0 343.456 3.099 20 30 EGEDRM C=CCCSCCNC(=O)N=c1[n-]nc(-c2ccsc2)s1 ZINC000596696736 459732196 /nfs/dbraw/zinc/73/21/96/459732196.db2.gz DCIOXBKGXKISJD-UHFFFAOYSA-N -1 0 340.499 3.119 20 30 EGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)c1cnn(C2CC2)c1 ZINC000528917370 459817719 /nfs/dbraw/zinc/81/77/19/459817719.db2.gz YQYDSDVSXONUTI-OAHLLOKOSA-N -1 0 332.363 3.213 20 30 EGEDRM C=CC[C@@H]1N(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CCCC1(C)C ZINC000597162995 459858590 /nfs/dbraw/zinc/85/85/90/459858590.db2.gz ZTUPQPBFZWPNQN-HNNXBMFYSA-N -1 0 346.383 3.500 20 30 EGEDRM Cc1ccccc1S(=O)(=O)[N-]c1cc(C#N)ccc1OC(C)C ZINC000608955323 459896493 /nfs/dbraw/zinc/89/64/93/459896493.db2.gz JSSSELLPCYJXIS-UHFFFAOYSA-N -1 0 330.409 3.455 20 30 EGEDRM N#C[C@@H](NC(=O)c1c([O-])cccc1F)c1ccccc1Br ZINC000613954494 459977177 /nfs/dbraw/zinc/97/71/77/459977177.db2.gz OTUVIRITBUALEG-GFCCVEGCSA-N -1 0 349.159 3.288 20 30 EGEDRM CCCc1ccc([C@H](NC(=O)N=c2[n-]n(C)cc2C#N)C(C)C)cc1 ZINC000610562218 460184725 /nfs/dbraw/zinc/18/47/25/460184725.db2.gz LAYMWAKXDLQTLZ-QGZVFWFLSA-N -1 0 339.443 3.185 20 30 EGEDRM Cn1cc(C#N)c(=NC(=O)N2CCCCC[C@@H]2/C=C/c2ccccc2)[n-]1 ZINC000610655661 460206041 /nfs/dbraw/zinc/20/60/41/460206041.db2.gz DSVXOYBRTWVYMM-IENJSVCTSA-N -1 0 349.438 3.204 20 30 EGEDRM N#Cc1cccc(Oc2ccc([N-]S(=O)(=O)c3ccco3)cn2)c1 ZINC000615111625 460276915 /nfs/dbraw/zinc/27/69/15/460276915.db2.gz OQUVXERUVJMMGQ-UHFFFAOYSA-N -1 0 341.348 3.139 20 30 EGEDRM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cc1O ZINC000612997955 460797839 /nfs/dbraw/zinc/79/78/39/460797839.db2.gz YEXFSVMEIFSPNJ-UHFFFAOYSA-N -1 0 336.800 3.335 20 30 EGEDRM CSc1ccncc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000613015335 460803756 /nfs/dbraw/zinc/80/37/56/460803756.db2.gz IUIBPUTVIDFQJU-UHFFFAOYSA-N -1 0 339.829 3.129 20 30 EGEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(C2CC2)cc1 ZINC000613324503 460911222 /nfs/dbraw/zinc/91/12/22/460911222.db2.gz SYIXQMAKGFRBHO-UHFFFAOYSA-N -1 0 328.393 3.245 20 30 EGEDRM C=C(C)COc1cccc(NC(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)c1 ZINC000630561445 461189474 /nfs/dbraw/zinc/18/94/74/461189474.db2.gz PPVKOVCMHLGRAA-CJNGLKHVSA-N -1 0 332.400 3.216 20 30 EGEDRM C=CC[C@H]1CCCN(C(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)C1 ZINC000659170456 461199870 /nfs/dbraw/zinc/19/98/70/461199870.db2.gz WVSZUXYHCDPQOL-HNNXBMFYSA-N -1 0 331.412 3.195 20 30 EGEDRM Cc1nc2ccnn2cc1C([O-])=C(C#N)c1nc(C(C)C)cs1 ZINC000651662906 462294949 /nfs/dbraw/zinc/29/49/49/462294949.db2.gz VNLHKHPDTLZYKU-LLVKDONJSA-N -1 0 325.397 3.108 20 30 EGEDRM C=CCCCCCN(C)C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC000652109522 462436910 /nfs/dbraw/zinc/43/69/10/462436910.db2.gz LRUYNNRQABXBSX-IBGZPJMESA-N -1 0 332.444 3.417 20 30 EGEDRM C[S@](=O)c1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cc1 ZINC000592399083 548104110 /nfs/dbraw/zinc/10/41/10/548104110.db2.gz LRSASNOCHNXDAD-XMHCIUCPSA-N -1 0 330.434 3.248 20 30 EGEDRM C=CCOc1ccccc1CNC(=O)N[C@H](C(=O)[O-])C1CCCCC1 ZINC000679561055 549734682 /nfs/dbraw/zinc/73/46/82/549734682.db2.gz QWYXOPRGKHPJCP-KRWDZBQOSA-N -1 0 346.427 3.084 20 30 EGEDRM CCN1c2ccc(C)cc2C(=N[N-]c2nc(-c3ccccc3)no2)C1=O ZINC000726737954 574568331 /nfs/dbraw/zinc/56/83/31/574568331.db2.gz HALUFUZIYMUAOG-UHFFFAOYSA-N -1 0 347.378 3.228 20 30 EGEDRM O=C([O-])COc1cccc(C(=O)/C=C/C2=Cc3ccccc3OC2)c1 ZINC000726742437 574568700 /nfs/dbraw/zinc/56/87/00/574568700.db2.gz QSDSKLJLQLGHOZ-CMDGGOBGSA-N -1 0 336.343 3.365 20 30 EGEDRM COC[C@H]([N-]C(=O)C(F)(F)C(F)F)c1cccc(C(F)(F)F)c1 ZINC000749392812 574632356 /nfs/dbraw/zinc/63/23/56/574632356.db2.gz FVRQHBPUAKDLGC-VIFPVBQESA-N -1 0 347.230 3.410 20 30 EGEDRM N#CCOc1ccc(CNC(=O)Nc2ccc(NC(=O)[O-])cc2)cc1 ZINC000738426839 574663566 /nfs/dbraw/zinc/66/35/66/574663566.db2.gz SSTQGSQVKWVFBG-UHFFFAOYSA-N -1 0 340.339 3.001 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)Cc2cccc(Cl)c2)n1 ZINC000727876757 574698750 /nfs/dbraw/zinc/69/87/50/574698750.db2.gz BRYCSMGRIAICKK-ZDUSSCGKSA-N -1 0 348.811 3.067 20 30 EGEDRM O=C(/C=C/c1ccc(-n2cncn2)c(F)c1)c1ccc([O-])c(F)c1 ZINC000728438840 574749289 /nfs/dbraw/zinc/74/92/89/574749289.db2.gz QSKRVVDJHBWOBV-GORDUTHDSA-N -1 0 327.290 3.147 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2ccc(C)c(Cl)c2)n1 ZINC000728673373 574766128 /nfs/dbraw/zinc/76/61/28/574766128.db2.gz YVZPXFOKLSHPKC-LBPRGKRZSA-N -1 0 348.811 3.447 20 30 EGEDRM Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C/c1cccc(OCC#N)c1)CC2 ZINC000730150220 574925634 /nfs/dbraw/zinc/92/56/34/574925634.db2.gz PVKAMSIRWYHDPS-UKTHLTGXSA-N -1 0 337.331 3.401 20 30 EGEDRM Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C\c1cccc(OCC#N)c1)CC2 ZINC000730150217 574925674 /nfs/dbraw/zinc/92/56/74/574925674.db2.gz PVKAMSIRWYHDPS-LCYFTJDESA-N -1 0 337.331 3.401 20 30 EGEDRM O=C([O-])C(F)(F)Oc1ccc(/C=C2/Oc3cc(O)ccc3C2=O)cc1 ZINC000730729628 575013285 /nfs/dbraw/zinc/01/32/85/575013285.db2.gz KLSNFUWBCYAJPZ-VGOFMYFVSA-N -1 0 348.257 3.065 20 30 EGEDRM C#CCOc1ccc(NC(=O)c2ccc(Br)cc2[O-])cc1 ZINC000731052718 575049669 /nfs/dbraw/zinc/04/96/69/575049669.db2.gz JHQMLJRTAROTCN-UHFFFAOYSA-N -1 0 346.180 3.419 20 30 EGEDRM O=C([O-])COc1cccc(CN=Nc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000733203410 575319704 /nfs/dbraw/zinc/31/97/04/575319704.db2.gz IGBIGYBIIAEOTQ-UHFFFAOYSA-N -1 0 349.730 3.158 20 30 EGEDRM O=C([O-])COc1cccc(CN=Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000733203844 575319777 /nfs/dbraw/zinc/31/97/77/575319777.db2.gz AZZUAMZPFGZIHX-UHFFFAOYSA-N -1 0 349.730 3.158 20 30 EGEDRM Cc1ccc(C(=O)/C=C\c2cccc(OCC(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000733205345 575319861 /nfs/dbraw/zinc/31/98/61/575319861.db2.gz SCXYJPKOIXVFDB-VURMDHGXSA-N -1 0 341.319 3.263 20 30 EGEDRM C#CCOc1ccc([N-]S(=O)(=O)c2cccc3cccnc32)cc1 ZINC000734742877 575547597 /nfs/dbraw/zinc/54/75/97/575547597.db2.gz BTXPXLLBWBFLIN-UHFFFAOYSA-N -1 0 338.388 3.048 20 30 EGEDRM C#CCOc1ccccc1CNC(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000736088087 575897654 /nfs/dbraw/zinc/89/76/54/575897654.db2.gz RUMOMDAPYBNHNI-UHFFFAOYSA-N -1 0 339.351 3.110 20 30 EGEDRM C#Cc1ccc(C(=O)Nc2sc3c(c2C(=O)[O-])CCCCC3)nc1 ZINC000736092110 575898514 /nfs/dbraw/zinc/89/85/14/575898514.db2.gz BTAAWPHCNMYZOA-UHFFFAOYSA-N -1 0 340.404 3.344 20 30 EGEDRM C=CCOc1ccc(C(=O)N[C@@H](C(=O)[O-])c2cc(F)ccc2F)cc1 ZINC000736109237 575898771 /nfs/dbraw/zinc/89/87/71/575898771.db2.gz CJYRKNXMDNSWCN-MRXNPFEDSA-N -1 0 347.317 3.085 20 30 EGEDRM C=CCOc1ccc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000736114217 575900738 /nfs/dbraw/zinc/90/07/38/575900738.db2.gz OGLVNQRBTUBLBW-KRWDZBQOSA-N -1 0 337.331 3.106 20 30 EGEDRM C=CCOc1ccc(C(=O)NCCc2ccc(NC(=O)[O-])cc2)cc1 ZINC000736114512 575900743 /nfs/dbraw/zinc/90/07/43/575900743.db2.gz VHBARUNINZZUFX-UHFFFAOYSA-N -1 0 340.379 3.314 20 30 EGEDRM C=CCc1ccccc1OS(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000736114781 575900744 /nfs/dbraw/zinc/90/07/44/575900744.db2.gz RLSQXNGRSFCPJS-UHFFFAOYSA-N -1 0 332.377 3.189 20 30 EGEDRM CC(C)(C)c1ccc(C=NOCc2noc(CCCC(=O)[O-])n2)cc1 ZINC000736298996 575930105 /nfs/dbraw/zinc/93/01/05/575930105.db2.gz YOYADPNTVIZMCN-UHFFFAOYSA-N -1 0 345.399 3.325 20 30 EGEDRM CC(C)c1ccc(C=NOCc2noc(CCCC(=O)[O-])n2)cc1 ZINC000736511793 575979152 /nfs/dbraw/zinc/97/91/52/575979152.db2.gz DGXSKISQCXOIER-UHFFFAOYSA-N -1 0 331.372 3.151 20 30 EGEDRM C[C@@H](CSCC(=O)C=C1N(C)c2ccccc2C1(C)C)C(=O)[O-] ZINC000736619467 575990575 /nfs/dbraw/zinc/99/05/75/575990575.db2.gz UIHYFOVDVMLYMW-RGZVIEDOSA-N -1 0 333.453 3.321 20 30 EGEDRM C[C@@H](Cc1ccc(F)cc1)C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736621572 575994527 /nfs/dbraw/zinc/99/45/27/575994527.db2.gz CTZXZNHGZFACFX-SJCJKPOMSA-N -1 0 341.338 3.245 20 30 EGEDRM CCN(CCC(=O)[O-])C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000737097688 576113562 /nfs/dbraw/zinc/11/35/62/576113562.db2.gz YBMZNASCUVQASC-UHFFFAOYSA-N -1 0 337.379 3.239 20 30 EGEDRM CN(C(=O)c1cc2ccccc2n1CC#N)[C@H](C(=O)[O-])c1ccccc1 ZINC000737336698 576209447 /nfs/dbraw/zinc/20/94/47/576209447.db2.gz QKLWOEIOASYBEQ-SFHVURJKSA-N -1 0 347.374 3.063 20 30 EGEDRM CCOC(=O)Cc1cccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000737444366 576230443 /nfs/dbraw/zinc/23/04/43/576230443.db2.gz QAIHJCWOIHFVKO-UHFFFAOYSA-N -1 0 328.324 3.157 20 30 EGEDRM C=CCCO[C@@H](C)C(=O)Nc1ccc(Br)cc1C(=O)[O-] ZINC000737528382 576240982 /nfs/dbraw/zinc/24/09/82/576240982.db2.gz TVNSLZFDRJIQMD-VIFPVBQESA-N -1 0 342.189 3.067 20 30 EGEDRM CC(N=Nc1cc(F)c(F)cc1F)c1cccc(OCC(=O)[O-])c1 ZINC000737539946 576242473 /nfs/dbraw/zinc/24/24/73/576242473.db2.gz NSMWGZSQCRMPSJ-UHFFFAOYSA-N -1 0 338.285 3.403 20 30 EGEDRM CS[C@@H](C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccccc1 ZINC000738183546 576297761 /nfs/dbraw/zinc/29/77/61/576297761.db2.gz YUVOZHJWUCNGCU-JKSUJKDBSA-N -1 0 341.388 3.331 20 30 EGEDRM CSc1ccc([C@@H](CC(=O)[O-])/N=C/c2cccc(O)c2O)cc1 ZINC000738198843 576298727 /nfs/dbraw/zinc/29/87/27/576298727.db2.gz GDLHGAKUVLYNKU-YFEUJDIGSA-N -1 0 331.393 3.455 20 30 EGEDRM Cc1[nH]c2ccccc2c1CC(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000738246253 576305330 /nfs/dbraw/zinc/30/53/30/576305330.db2.gz AJFBJVZCGKNVSG-LJQANCHMSA-N -1 0 348.358 3.260 20 30 EGEDRM Cc1n[nH]cc1C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000738248365 576305668 /nfs/dbraw/zinc/30/56/68/576305668.db2.gz CPPRIMGHGGBQRJ-UHFFFAOYSA-N -1 0 345.358 3.068 20 30 EGEDRM Cc1cc(NCC(=O)Nc2cc(Cl)ccc2C#N)ccc1C(=O)[O-] ZINC000738460196 576328695 /nfs/dbraw/zinc/32/86/95/576328695.db2.gz PKLBJQNDLJQNJS-UHFFFAOYSA-N -1 0 343.770 3.269 20 30 EGEDRM N#C[C@@H](C(=O)c1ccc(C(=O)[O-])cc1)c1nc(-c2ccncc2)cs1 ZINC000739074486 576376882 /nfs/dbraw/zinc/37/68/82/576376882.db2.gz KHYWOCJCGQGYAD-AWEZNQCLSA-N -1 0 349.371 3.393 20 30 EGEDRM N#CCN(CC(=O)[O-])C(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000739087300 576377391 /nfs/dbraw/zinc/37/73/91/576377391.db2.gz XFCZQYOZYNBOBA-UHFFFAOYSA-N -1 0 343.191 3.258 20 30 EGEDRM N#CCn1c(C(=O)Nc2ccc(C(=O)[O-])cc2F)cc2ccccc21 ZINC000739093039 576377649 /nfs/dbraw/zinc/37/76/49/576377649.db2.gz YOUMVGBZMRDQRR-UHFFFAOYSA-N -1 0 337.310 3.254 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)c2ccccc2OC(F)F)C(=O)[O-])cc1 ZINC000739118258 576378915 /nfs/dbraw/zinc/37/89/15/576378915.db2.gz PXKRSZILNJNSJF-AWEZNQCLSA-N -1 0 347.273 3.142 20 30 EGEDRM N#Cc1ccccc1-c1ccccc1C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000739139830 576379543 /nfs/dbraw/zinc/37/95/43/576379543.db2.gz KQADKMOWOKOWCW-HNNXBMFYSA-N -1 0 334.375 3.162 20 30 EGEDRM N#Cc1nc(NCc2ccc(OCCCC(=O)[O-])cc2)ccc1Cl ZINC000739145669 576379753 /nfs/dbraw/zinc/37/97/53/576379753.db2.gz TUMVMCFDVSFZTO-UHFFFAOYSA-N -1 0 345.786 3.462 20 30 EGEDRM O=C([O-])c1ccc(O)c(C=NNCc2ccc(C(F)(F)F)cc2)c1 ZINC000740154959 576555500 /nfs/dbraw/zinc/55/55/00/576555500.db2.gz JSLQEZIRYFKUKG-UHFFFAOYSA-N -1 0 338.285 3.233 20 30 EGEDRM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)c3cocn3)c2)c1 ZINC000740212690 576566014 /nfs/dbraw/zinc/56/60/14/576566014.db2.gz POLIRJQSQOLVEX-UHFFFAOYSA-N -1 0 332.315 3.025 20 30 EGEDRM CCOc1ccc(/C=N/[C@@H]2CCN(c3ccc(C)cc3)C2=O)c(O)c1 ZINC000741465893 576688360 /nfs/dbraw/zinc/68/83/60/576688360.db2.gz ZGQZMJMMZNWINP-KOMLCTQHSA-N -1 0 338.407 3.324 20 30 EGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)c1cc(C2CC2)n(C)n1 ZINC000744016520 576818919 /nfs/dbraw/zinc/81/89/19/576818919.db2.gz NVPBWVGCGSWXFM-CQSZACIVSA-N -1 0 346.390 3.293 20 30 EGEDRM O=[N+]([O-])c1cc(CN=Nc2ncnc3c4ccccc4oc32)ccc1[O-] ZINC000744788409 576834440 /nfs/dbraw/zinc/83/44/40/576834440.db2.gz ILFSYDAALCIBGB-UHFFFAOYSA-N -1 0 349.306 3.436 20 30 EGEDRM N#Cc1ccc(NC(=S)N2CCC[C@H](CC(=O)[O-])C2)cc1Cl ZINC000819100192 597043005 /nfs/dbraw/zinc/04/30/05/597043005.db2.gz BPKTUPONUKBMSS-SNVBAGLBSA-N -1 0 337.832 3.095 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)OCc1csc(C2CCCCC2)n1 ZINC000819874510 597625850 /nfs/dbraw/zinc/62/58/50/597625850.db2.gz LSIFUNQPXNXMTR-INIZCTEOSA-N -1 0 336.413 3.239 20 30 EGEDRM CC[C@@H]1CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC[C@H]1c1ccccc1 ZINC000820297268 598229216 /nfs/dbraw/zinc/22/92/16/598229216.db2.gz QYVFJMWZXKMFCM-IDHHARJASA-N -1 0 328.412 3.033 20 30 EGEDRM COc1cc(C#N)ccc1OCCOc1ccccc1NC(=O)[O-] ZINC000831860772 601229504 /nfs/dbraw/zinc/22/95/04/601229504.db2.gz BBNWORRDZMSUJZ-UHFFFAOYSA-N -1 0 328.324 3.115 20 30 EGEDRM C#CCOc1cccc([C@H](C)OC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)c1 ZINC000825631244 601238936 /nfs/dbraw/zinc/23/89/36/601238936.db2.gz AAHTWFQKJJFYKF-BPUTZDHNSA-N -1 0 330.380 3.194 20 30 EGEDRM O=C([O-])c1ccc(/C=C2\CC/C(=C\c3cccc([N+](=O)[O-])c3)C2=O)[nH]1 ZINC000833354855 601332133 /nfs/dbraw/zinc/33/21/33/601332133.db2.gz DHDHZHWOWNRBHL-SDCOAONHSA-N -1 0 338.319 3.451 20 30 EGEDRM N#Cc1cc(F)ccc1NC(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000833069531 601339525 /nfs/dbraw/zinc/33/95/25/601339525.db2.gz DDYKBBMQDCKTHY-UHFFFAOYSA-N -1 0 328.303 3.109 20 30 EGEDRM N#Cc1cccc([C@@H](OC(=O)c2cccc(OC(F)F)c2)C(=O)[O-])c1 ZINC000833075325 601344429 /nfs/dbraw/zinc/34/44/29/601344429.db2.gz AATALOGQVLOQRV-CQSZACIVSA-N -1 0 347.273 3.142 20 30 EGEDRM CSc1ccccc1C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832790554 601344851 /nfs/dbraw/zinc/34/48/51/601344851.db2.gz LRXPYCNWJLOMOM-HNNXBMFYSA-N -1 0 327.361 3.263 20 30 EGEDRM C/C(=C\C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(F)cc1 ZINC000825724868 601350685 /nfs/dbraw/zinc/35/06/85/601350685.db2.gz WJRYQDQMOKWFOP-PEKVBPLLSA-N -1 0 339.322 3.470 20 30 EGEDRM CC1=C(C(=O)[O-])[C@@H](c2cc(C#N)cs2)NC(=O)N1CCC(C)C ZINC000828135240 601375119 /nfs/dbraw/zinc/37/51/19/601375119.db2.gz NTRARTDFFATULQ-CQSZACIVSA-N -1 0 333.413 3.091 20 30 EGEDRM CCCC1=C(C(=O)[O-])[C@H](c2cc(C#N)cs2)NC(=O)N1CC1CC1 ZINC000829245587 601376547 /nfs/dbraw/zinc/37/65/47/601376547.db2.gz KZPQFQBXVVZGJN-HNNXBMFYSA-N -1 0 345.424 3.235 20 30 EGEDRM CCC(CC)CN(CCC#N)Cn1nc(C(=O)[O-])c2ccccc21 ZINC000828859360 601399978 /nfs/dbraw/zinc/39/99/78/601399978.db2.gz ZFISGKJOIXSBOI-UHFFFAOYSA-N -1 0 328.416 3.344 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1cc(C#N)cs1 ZINC000825702359 601529753 /nfs/dbraw/zinc/52/97/53/601529753.db2.gz LRTDCYPBVAQCBC-UHFFFAOYSA-N -1 0 343.360 3.274 20 30 EGEDRM C[C@H](C(=O)[O-])[C@H](NC(=O)Nc1ccc(F)cc1C#N)c1ccccc1 ZINC000826037989 601628090 /nfs/dbraw/zinc/62/80/90/601628090.db2.gz CXIMZKKNHNNKCI-ZBEGNZNMSA-N -1 0 341.342 3.281 20 30 EGEDRM C=CCNc1nnc(SCc2cc(C(=O)[O-])sc2C)s1 ZINC000825692094 601670078 /nfs/dbraw/zinc/67/00/78/601670078.db2.gz HTXUFBRSJUPNPF-UHFFFAOYSA-N -1 0 327.456 3.496 20 30 EGEDRM N#Cc1ccccc1/C=C\C(=O)OCc1ccc(C(=O)[O-])c(F)c1 ZINC000833075190 601721379 /nfs/dbraw/zinc/72/13/79/601721379.db2.gz NNSUVLBBQFJOCZ-VURMDHGXSA-N -1 0 325.295 3.152 20 30 EGEDRM CC[C@H](NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)C(=O)[O-] ZINC000828971644 601752469 /nfs/dbraw/zinc/75/24/69/601752469.db2.gz WMVSJZYTMUSNFF-KRWDZBQOSA-N -1 0 338.363 3.138 20 30 EGEDRM COc1cc(OC)c(C(=O)/C=C/c2c[nH]c(C(=O)[O-])c2)cc1Cl ZINC000832030453 601791272 /nfs/dbraw/zinc/79/12/72/601791272.db2.gz QGNQJJKCSYAUOB-ONEGZZNKSA-N -1 0 335.743 3.280 20 30 EGEDRM CCCOc1ccc2c(c1)C(=O)/C(=C\c1c[nH]c(C(=O)[O-])c1)CO2 ZINC000829537985 601792899 /nfs/dbraw/zinc/79/28/99/601792899.db2.gz NNNLNRSUPDMEQT-SDQBBNPISA-N -1 0 327.336 3.160 20 30 EGEDRM C[C@H](Oc1ccc(/C=C2\CCc3c(O)cccc3C2=O)cc1)C(=O)[O-] ZINC000794702667 602112229 /nfs/dbraw/zinc/11/22/29/602112229.db2.gz QZSCZGOEXSFYDB-SEVUAYLXSA-N -1 0 338.359 3.457 20 30 EGEDRM C=CCn1c(COc2ccc(C)cc2)nnc1S[C@@H](CC)C(=O)[O-] ZINC000825711240 602239052 /nfs/dbraw/zinc/23/90/52/602239052.db2.gz VQMLFWQLEJTSSN-AWEZNQCLSA-N -1 0 347.440 3.307 20 30 EGEDRM CC[C@H](OC1CCCCC1)C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000829009783 602271377 /nfs/dbraw/zinc/27/13/77/602271377.db2.gz PYJZNYUGIQXXDA-DLBZAZTESA-N -1 0 345.395 3.355 20 30 EGEDRM CN(C(=O)c1ccc(C(=O)[O-])c(F)c1)c1cc(Cl)ccc1C#N ZINC000830528917 604391777 /nfs/dbraw/zinc/39/17/77/604391777.db2.gz UROHVZMLASESJB-UHFFFAOYSA-N -1 0 332.718 3.326 20 30 EGEDRM Cc1sc(NC(=O)c2ncc(C#N)cc2Cl)c(C(=O)[O-])c1C ZINC000833036881 604430673 /nfs/dbraw/zinc/43/06/73/604430673.db2.gz OXBVCXBWDLGUPQ-UHFFFAOYSA-N -1 0 335.772 3.236 20 30 EGEDRM Cc1ccc(C)c(N2CCN([C@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)c1 ZINC000832925822 604505921 /nfs/dbraw/zinc/50/59/21/604505921.db2.gz DMUXNZFJGJGRDD-FQEVSTJZSA-N -1 0 349.434 3.123 20 30 EGEDRM C=CCC[C@H](NS(=O)(=O)c1cc(C(=O)[O-])oc1C)c1ccccc1 ZINC000833373516 604509435 /nfs/dbraw/zinc/50/94/35/604509435.db2.gz RCLFXSJCVSGXQG-AWEZNQCLSA-N -1 0 349.408 3.272 20 30 EGEDRM C=C(C)[C@@H](CC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1)OCC ZINC000833367588 604570042 /nfs/dbraw/zinc/57/00/42/604570042.db2.gz ORYYQAXXORIOPN-CQSZACIVSA-N -1 0 341.791 3.113 20 30 EGEDRM C[C@H](C(=O)OCc1cccc(C(=O)[O-])c1C#N)c1ccccc1F ZINC000833410021 604582307 /nfs/dbraw/zinc/58/23/07/604582307.db2.gz UCTYJHMQTXIAQJ-NSHDSACASA-N -1 0 327.311 3.242 20 30 EGEDRM C[C@H](C(=O)OCc1cccc(C(=O)[O-])c1C#N)c1cccc(F)c1 ZINC000833410315 604584663 /nfs/dbraw/zinc/58/46/63/604584663.db2.gz VXPWEVUFEUWYCX-NSHDSACASA-N -1 0 327.311 3.242 20 30 EGEDRM C[C@H]1CN(Cc2cccc(C(=O)[O-])c2C#N)C[C@@H](c2ccsc2)O1 ZINC000833630400 604613656 /nfs/dbraw/zinc/61/36/56/604613656.db2.gz SGNLSCJWHGXNSG-SJCJKPOMSA-N -1 0 342.420 3.280 20 30 EGEDRM CC(C)(Oc1ccc(C#N)cc1)C(=O)OCc1ccc(C(=O)[O-])s1 ZINC000826642058 604616255 /nfs/dbraw/zinc/61/62/55/604616255.db2.gz NZTOIGUAHNABHR-UHFFFAOYSA-N -1 0 345.376 3.219 20 30 EGEDRM Cc1ccc2cc(C(=O)O[C@@H](C(=O)[O-])c3ccc(C#N)cc3)ccc2n1 ZINC000832962197 604844353 /nfs/dbraw/zinc/84/43/53/604844353.db2.gz VHFKTOIAPFTTPI-GOSISDBHSA-N -1 0 346.342 3.398 20 30 EGEDRM C=CCC[C@H](NC(=O)[C@H](C)NC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000833373045 604979858 /nfs/dbraw/zinc/97/98/58/604979858.db2.gz DNESQHHIIHIHKB-GWCFXTLKSA-N -1 0 344.333 3.485 20 30 EGEDRM C=CCCCCCN(C)S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000833374171 605002783 /nfs/dbraw/zinc/00/27/83/605002783.db2.gz TWIIYUVZDVHOTH-UHFFFAOYSA-N -1 0 345.848 3.405 20 30 EGEDRM C=CCOc1cccnc1C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000833378846 605087883 /nfs/dbraw/zinc/08/78/83/605087883.db2.gz PCBIDGLYTWKDCA-UHFFFAOYSA-N -1 0 341.367 3.009 20 30 EGEDRM CC(N=Nc1cccc(S(C)(=O)=O)c1)[C@@H](C)CCCCC(=O)[O-] ZINC000814896157 605121945 /nfs/dbraw/zinc/12/19/45/605121945.db2.gz LQKBESIILSAOKL-LBPRGKRZSA-N -1 0 340.445 3.159 20 30 EGEDRM COc1ccc(NN=Cc2ccc(OCC(=O)[O-])cc2)cc1Cl ZINC000782232099 605155348 /nfs/dbraw/zinc/15/53/48/605155348.db2.gz OOAFYKZFDKOLIE-UHFFFAOYSA-N -1 0 334.759 3.258 20 30 EGEDRM Cc1nn(C)c2ncc(C=NNc3ccc(C(=O)[O-])c(Cl)c3)cc12 ZINC000833756427 605159614 /nfs/dbraw/zinc/15/96/14/605159614.db2.gz KVWBFAZAVGOCBN-UHFFFAOYSA-N -1 0 343.774 3.074 20 30 EGEDRM C=CCc1ccccc1OS(=O)(=O)c1ccc(C)cc1C(=O)[O-] ZINC000833380184 605191754 /nfs/dbraw/zinc/19/17/54/605191754.db2.gz XFNAKJMGGOCFHH-UHFFFAOYSA-N -1 0 332.377 3.189 20 30 EGEDRM C=C(C)COc1cc(CNc2cncc(C(=O)[O-])c2)ccc1OC ZINC000833369387 605325397 /nfs/dbraw/zinc/32/53/97/605325397.db2.gz UHFCYLACVZMEAY-UHFFFAOYSA-N -1 0 328.368 3.355 20 30 EGEDRM C=CCCO[C@@H](C)C(=O)O[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000833373899 605505262 /nfs/dbraw/zinc/50/52/62/605505262.db2.gz IJUQTADURBXZBK-TVQRCGJNSA-N -1 0 330.739 3.129 20 30 EGEDRM C[C@@H](Oc1ccc(CNc2cccc(OCC#N)c2)cc1)C(=O)[O-] ZINC000833539966 605546269 /nfs/dbraw/zinc/54/62/69/605546269.db2.gz QOYSVYHHNGNIFF-CYBMUJFWSA-N -1 0 326.352 3.053 20 30 EGEDRM CSCc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000042251739 1291438487 /nfs/dbraw/zinc/43/84/87/1291438487.db2.gz LSMGYXWXKTUKCV-UHFFFAOYSA-N -1 0 339.413 3.382 20 30 EGEDRM Cn1cc(Cl)cc1C(=O)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000042258718 1291438530 /nfs/dbraw/zinc/43/85/30/1291438530.db2.gz VOEKRVHTHBCOMO-UHFFFAOYSA-N -1 0 339.225 3.087 20 30 EGEDRM O=C([N-]S(=O)(=O)Cc1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000045100022 1291505604 /nfs/dbraw/zinc/50/56/04/1291505604.db2.gz YFOBFAAIDABVQK-UHFFFAOYSA-N -1 0 327.764 3.314 20 30 EGEDRM O=C([N-]S(=O)(=O)c1ccc(Cl)cc1)c1cc(F)ccc1F ZINC000048409825 1291603011 /nfs/dbraw/zinc/60/30/11/1291603011.db2.gz IUHGQBQUTKRJMG-UHFFFAOYSA-N -1 0 331.727 3.312 20 30 EGEDRM C[C@H](Oc1cccc(F)c1)C(=O)[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000048454614 1291605849 /nfs/dbraw/zinc/60/58/49/1291605849.db2.gz MEVMEAVCYBJVEX-JTQLQIEISA-N -1 0 341.335 3.078 20 30 EGEDRM N#CCc1cccc(C(=O)[N-]S(=O)(=O)C=Cc2ccccc2)c1 ZINC000048531460 1291610543 /nfs/dbraw/zinc/61/05/43/1291610543.db2.gz UGARETBHPWQFOH-ZRDIBKRKSA-N -1 0 326.377 3.058 20 30 EGEDRM C[C@@H](Oc1cccc(F)c1)C(=O)[N-]S(=O)(=O)c1ccccc1F ZINC000048592705 1291612046 /nfs/dbraw/zinc/61/20/46/1291612046.db2.gz BRSVKUXBXJRTND-SNVBAGLBSA-N -1 0 341.335 3.078 20 30 EGEDRM O=C([N-]S(=O)(=O)c1ccccc1F)c1ccc(Cl)cc1F ZINC000048588288 1291612137 /nfs/dbraw/zinc/61/21/37/1291612137.db2.gz GUEYPKSSEOGUBK-UHFFFAOYSA-N -1 0 331.727 3.312 20 30 EGEDRM Cc1ccccc1OCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000048612204 1291613201 /nfs/dbraw/zinc/61/32/01/1291613201.db2.gz VGXFUMVITGVOGO-UHFFFAOYSA-N -1 0 345.420 3.208 20 30 EGEDRM Cc1ccc(OCC(=O)[N-]S(=O)(=O)C2CCCCC2)cc1C ZINC000058073262 1291877280 /nfs/dbraw/zinc/87/72/80/1291877280.db2.gz USMAUNAPCJFQSU-UHFFFAOYSA-N -1 0 325.430 3.301 20 30 EGEDRM COc1cccc(S(=O)(=O)[N-]C(=O)c2oc3ccccc3c2C)c1 ZINC000058185309 1291883062 /nfs/dbraw/zinc/88/30/62/1291883062.db2.gz LVPPBMDHHQSROB-UHFFFAOYSA-N -1 0 345.376 3.443 20 30 EGEDRM COc1cccc(S(=O)(=O)[N-]C(=O)C=C(C)c2ccccc2)c1 ZINC000058187950 1291883151 /nfs/dbraw/zinc/88/31/51/1291883151.db2.gz JUDJXZGZTAZRQG-QBFSEMIESA-N -1 0 331.393 3.444 20 30 EGEDRM COc1cccc2cc(C(=O)[N-]S(=O)(=O)c3ccccc3C)oc21 ZINC000069524426 1292244914 /nfs/dbraw/zinc/24/49/14/1292244914.db2.gz IZRRUWCLYMPLAX-UHFFFAOYSA-N -1 0 345.376 3.443 20 30 EGEDRM CC(C)C[C@@H](C)CC(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000070030899 1292254484 /nfs/dbraw/zinc/25/44/84/1292254484.db2.gz OWYQJYNBXUTTBH-GFCCVEGCSA-N -1 0 342.417 3.453 20 30 EGEDRM CO[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000075778236 1292411306 /nfs/dbraw/zinc/41/13/06/1292411306.db2.gz UZRNXFPUFHRJSS-CQSZACIVSA-N -1 0 339.800 3.373 20 30 EGEDRM Cc1ccc(C)c(CC(=O)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000076607272 1292433350 /nfs/dbraw/zinc/43/33/50/1292433350.db2.gz LQYONOVRVSMKBA-UHFFFAOYSA-N -1 0 348.380 3.100 20 30 EGEDRM O=C([N-]S(=O)(=O)c1cccs1)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000076756673 1292440430 /nfs/dbraw/zinc/44/04/30/1292440430.db2.gz IJGSSXFGVITLAG-ZJUUUORDSA-N -1 0 343.376 3.475 20 30 EGEDRM C[C@H](CCc1cccc(F)c1)C(=O)[N-]S(=O)(=O)N1CCCCC1 ZINC000076877717 1292448285 /nfs/dbraw/zinc/44/82/85/1292448285.db2.gz JYLWDYQNVOFTLQ-CYBMUJFWSA-N -1 0 342.436 3.082 20 30 EGEDRM O=C([N-]S(=O)(=O)c1ccccc1Br)C1CC=CC1 ZINC000077940573 1292490853 /nfs/dbraw/zinc/49/08/53/1292490853.db2.gz JHHGYIZQPKYABI-UHFFFAOYSA-N -1 0 330.203 3.061 20 30 EGEDRM CCCC=CC(=O)[N-]S(=O)(=O)c1ccccc1Br ZINC000078814570 1292528602 /nfs/dbraw/zinc/52/86/02/1292528602.db2.gz QYISRLPNJSXHOD-RUDMXATFSA-N -1 0 332.219 3.451 20 30 EGEDRM O=C(CCC1CCC1)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000079137332 1292542697 /nfs/dbraw/zinc/54/26/97/1292542697.db2.gz MKGWZRCDIIBABB-UHFFFAOYSA-N -1 0 346.792 3.474 20 30 EGEDRM CCCCCCCS(=O)(=O)[N-]c1ccc(C)cc1S(C)(=O)=O ZINC000830155968 1292675226 /nfs/dbraw/zinc/67/52/26/1292675226.db2.gz NAUSQTZWYXFMQJ-UHFFFAOYSA-N -1 0 347.502 3.111 20 30 EGEDRM N#Cc1csc(C(=O)[N-]S(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000083937310 1292691960 /nfs/dbraw/zinc/69/19/60/1292691960.db2.gz OCLNORSVYYGPPV-UHFFFAOYSA-N -1 0 342.401 3.466 20 30 EGEDRM Cc1cc(C)n(-c2ccc(C(=O)[N-]S(=O)(=O)C3CCCC3)cc2)n1 ZINC000086056030 1292728984 /nfs/dbraw/zinc/72/89/84/1292728984.db2.gz YZRQEICCSMIMAK-UHFFFAOYSA-N -1 0 347.440 3.066 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2c2ccco2)c(F)cc1F ZINC000086068117 1292730287 /nfs/dbraw/zinc/73/02/87/1292730287.db2.gz WDSVYGJKVJLUPJ-NXEZZACHSA-N -1 0 341.335 3.315 20 30 EGEDRM O=C([N-]S(=O)(=O)c1cccc(Cl)c1)[C@H]1CC1(Cl)Cl ZINC000097465388 1292961470 /nfs/dbraw/zinc/96/14/70/1292961470.db2.gz ZVEFRWKPCNRRBC-MRVPVSSYSA-N -1 0 328.604 3.179 20 30 EGEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1cccc(OC2CCCC2)c1 ZINC000108938477 1293084371 /nfs/dbraw/zinc/08/43/71/1293084371.db2.gz VPXXRPGCGSRVQT-GOSISDBHSA-N -1 0 340.423 3.389 20 30 EGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)c1cc2n(n1)CCCC2 ZINC000835041806 1293192935 /nfs/dbraw/zinc/19/29/35/1293192935.db2.gz ZYOWPPPJWUAUAT-OAHLLOKOSA-N -1 0 346.390 3.215 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)Cc2cccc(OC(F)(F)F)c2)c1 ZINC000119199622 1293259824 /nfs/dbraw/zinc/25/98/24/1293259824.db2.gz MMFAAELZSPLSIE-UHFFFAOYSA-N -1 0 336.269 3.344 20 30 EGEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2ccc(C)c3c2CCC3)c1 ZINC000835341683 1293268359 /nfs/dbraw/zinc/26/83/59/1293268359.db2.gz WARGTSAMUIIMEO-HXUWFJFHSA-N -1 0 346.430 3.431 20 30 EGEDRM CCCCCCCCCC(=O)[N-]S(=O)(=O)c1ccc(F)cn1 ZINC000836042609 1293428056 /nfs/dbraw/zinc/42/80/56/1293428056.db2.gz ASVWQWACRHSVGK-UHFFFAOYSA-N -1 0 330.425 3.166 20 30 EGEDRM CCSCCSc1nc(-c2ccc(OC)cc2)c(C#N)c(=O)[n-]1 ZINC000126306587 1293531120 /nfs/dbraw/zinc/53/11/20/1293531120.db2.gz ZDIARPFAKHGPTF-UHFFFAOYSA-N -1 0 347.465 3.162 20 30 EGEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1cccc(OC(F)F)c1 ZINC000127353491 1293560371 /nfs/dbraw/zinc/56/03/71/1293560371.db2.gz TUJUEIWWEAUKQP-AWEZNQCLSA-N -1 0 336.338 3.059 20 30 EGEDRM COc1ccc(C([O-])=C(C#N)C(=O)NC(C)C)cc1-c1ccccc1 ZINC000127666415 1293570156 /nfs/dbraw/zinc/57/01/56/1293570156.db2.gz VVVYIRBXULPMFW-QGZVFWFLSA-N -1 0 336.391 3.209 20 30 EGEDRM N#CC(C(=O)NC1CC1)=C([O-])c1ccc(-c2ccccc2Cl)o1 ZINC000129232896 1293618078 /nfs/dbraw/zinc/61/80/78/1293618078.db2.gz DRXCAYSXRKGREG-LBPRGKRZSA-N -1 0 328.755 3.201 20 30 EGEDRM CC(C)NC(=O)C(C#N)=C([O-])c1ccc(C2SCCCS2)cc1 ZINC000130697668 1293666197 /nfs/dbraw/zinc/66/61/97/1293666197.db2.gz MTGXSMQGJZWPSC-CQSZACIVSA-N -1 0 348.493 3.402 20 30 EGEDRM O=C([O-])COc1cccc(/C=C2/Cc3c(cc(F)cc3F)C2=O)c1 ZINC000131166718 1293682041 /nfs/dbraw/zinc/68/20/41/1293682041.db2.gz YKNSYGIANACOKI-WCIBSUBMSA-N -1 0 330.286 3.251 20 30 EGEDRM CCC(CC)n1nccc1C([O-])=C(C#N)C(=O)NC1CCCCC1 ZINC000132636722 1293725044 /nfs/dbraw/zinc/72/50/44/1293725044.db2.gz SPTDLOFIXVDROI-OAHLLOKOSA-N -1 0 330.432 3.016 20 30 EGEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc(CCC(F)(F)F)cc1 ZINC000156228164 1294133957 /nfs/dbraw/zinc/13/39/57/1294133957.db2.gz KNCAZXWMZPVXMZ-ZDUSSCGKSA-N -1 0 349.312 3.120 20 30 EGEDRM COc1cc2c(c(/C=C/C(=O)c3ccc(O)cc3[O-])c1)O[C@@H](C)C2 ZINC000156631219 1294152068 /nfs/dbraw/zinc/15/20/68/1294152068.db2.gz ONHDCHIDYNZDRZ-GQOHGMTASA-N -1 0 326.348 3.326 20 30 EGEDRM CCN(C(C)=O)c1nc(/C=C/C(=O)c2ccc([O-])c(F)c2)cs1 ZINC000170851824 1294384073 /nfs/dbraw/zinc/38/40/73/1294384073.db2.gz RXILVGBCMYVGKP-FNORWQNLSA-N -1 0 334.372 3.257 20 30 EGEDRM CCC[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000172018745 1294426142 /nfs/dbraw/zinc/42/61/42/1294426142.db2.gz IKNDTGGHTXKPDE-MRXNPFEDSA-N -1 0 348.468 3.360 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(O[C@@H](C)CC)cc1 ZINC000175096488 1294538416 /nfs/dbraw/zinc/53/84/16/1294538416.db2.gz FBAGJLAVHGUULW-WMLDXEAASA-N -1 0 330.428 3.493 20 30 EGEDRM Cc1ccc(-c2nc(CC(=O)Nc3cc(C#N)ccc3[O-])cs2)o1 ZINC000176818746 1294633303 /nfs/dbraw/zinc/63/33/03/1294633303.db2.gz KAPRXUHBGPRFLI-UHFFFAOYSA-N -1 0 339.376 3.470 20 30 EGEDRM COc1ccc(S[C@@H](C)C(=O)Nc2cc(C#N)ccc2[O-])cc1 ZINC000176815887 1294634643 /nfs/dbraw/zinc/63/46/43/1294634643.db2.gz KYLWIQRLAMTHDE-NSHDSACASA-N -1 0 328.393 3.392 20 30 EGEDRM CN1C(=O)CCc2cc(C([O-])=C(C#N)c3nc4ccccc4o3)ccc21 ZINC000179008261 1294768004 /nfs/dbraw/zinc/76/80/04/1294768004.db2.gz PCOKFCKQJDUVJH-CQSZACIVSA-N -1 0 345.358 3.227 20 30 EGEDRM CCc1cccc(S(=O)(=O)[N-]c2ccccc2O[C@H](C)C#N)c1 ZINC000183135781 1295101802 /nfs/dbraw/zinc/10/18/02/1295101802.db2.gz NHHNSAVWJZBFHN-CYBMUJFWSA-N -1 0 330.409 3.341 20 30 EGEDRM CC#CCCCC(=O)[N-]S(=O)(=O)c1cc(C(C)(C)C)ccc1C ZINC000186181575 1295310970 /nfs/dbraw/zinc/31/09/70/1295310970.db2.gz KFSMUOLXPQMSNU-UHFFFAOYSA-N -1 0 335.469 3.291 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000191252094 1295661864 /nfs/dbraw/zinc/66/18/64/1295661864.db2.gz QRZYBDCZNBSJOZ-NSHDSACASA-N -1 0 329.318 3.298 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1 ZINC000191260566 1295662204 /nfs/dbraw/zinc/66/22/04/1295662204.db2.gz UPAYNGFPWSMHIH-UHFFFAOYSA-N -1 0 347.317 3.470 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)c1cc2c(s1)-c1ccccc1CC2 ZINC000191273114 1295665620 /nfs/dbraw/zinc/66/56/20/1295665620.db2.gz XSIAOZQQDKAZOO-UHFFFAOYSA-N -1 0 327.405 3.227 20 30 EGEDRM CCn1ncc(C(=O)C(C#N)=C([O-])c2c(C)[nH]c3ccccc32)c1C ZINC000870122943 1295678191 /nfs/dbraw/zinc/67/81/91/1295678191.db2.gz LHMPMKUKDCMYBS-CQSZACIVSA-N -1 0 334.379 3.207 20 30 EGEDRM C=CCC1(C(=O)[N-]S(=O)(=O)c2ccc(OC(C)C)cc2)CCC1 ZINC000192279340 1295749444 /nfs/dbraw/zinc/74/94/44/1295749444.db2.gz VZRNHKAGPKFHEW-UHFFFAOYSA-N -1 0 337.441 3.025 20 30 EGEDRM CC(C)NC(=O)C(C#N)=C([O-])c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3 ZINC000193485355 1295873982 /nfs/dbraw/zinc/87/39/82/1295873982.db2.gz MQLAHEGCGZSULH-BLLLJJGKSA-N -1 0 337.423 3.140 20 30 EGEDRM COc1cc(N=Cc2cc([N+](=O)[O-])ccc2[O-])ccc1NC(C)=O ZINC000254583308 1296473609 /nfs/dbraw/zinc/47/36/09/1296473609.db2.gz MNHZEUYFNYFKAS-UHFFFAOYSA-N -1 0 329.312 3.018 20 30 EGEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N\C[C@@H](O)c2cccc(F)c2)c1[O-] ZINC000255334021 1296521385 /nfs/dbraw/zinc/52/13/85/1296521385.db2.gz BZSCLIZVDMJCJD-ZMNVVMRHSA-N -1 0 338.722 3.245 20 30 EGEDRM CCN(C(C)=O)c1nc(/C=C\C(=O)c2ccc([O-])c(F)c2)cs1 ZINC000255418615 1296531909 /nfs/dbraw/zinc/53/19/09/1296531909.db2.gz RXILVGBCMYVGKP-ALCCZGGFSA-N -1 0 334.372 3.257 20 30 EGEDRM N#Cc1ccc(/C=C(/C(=O)C(=O)[O-])c2ccc3ccccc3n2)s1 ZINC000255447367 1296535397 /nfs/dbraw/zinc/53/53/97/1296535397.db2.gz JFOSYCXXBAPRPI-NTEUORMPSA-N -1 0 334.356 3.362 20 30 EGEDRM Cc1ccc(/C=C\C(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000255645068 1296557062 /nfs/dbraw/zinc/55/70/62/1296557062.db2.gz YREAEYFSDRVIOQ-XQRVVYSFSA-N -1 0 328.280 3.413 20 30 EGEDRM Cc1ccc(N=Cc2cc(Br)ccc2O)cc1C(N)=O ZINC000255837356 1296570804 /nfs/dbraw/zinc/57/08/04/1296570804.db2.gz GGQVJGAWYMYXLR-UHFFFAOYSA-N -1 0 333.185 3.313 20 30 EGEDRM O=C(/C=C\c1cncc(Br)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000588476157 1298070833 /nfs/dbraw/zinc/07/08/33/1298070833.db2.gz CBTBNSOHGLSRHR-IWQZZHSRSA-N -1 0 349.140 3.354 20 30 EGEDRM COC(=O)[C@@H](C)Oc1ccc(C=CC(=O)c2sccc2[O-])cc1 ZINC000588598983 1298090717 /nfs/dbraw/zinc/09/07/17/1298090717.db2.gz LUCSGVVSBXFGTC-UIJKISKDSA-N -1 0 332.377 3.290 20 30 EGEDRM CN(C)c1nc(C/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])cs1 ZINC000746815369 1298664547 /nfs/dbraw/zinc/66/45/47/1298664547.db2.gz IDLCICAOVNQARA-WCSRMQSCSA-N -1 0 340.792 3.095 20 30 EGEDRM Cc1ccc(NC(=S)NN=Cc2ccc([N+](=O)[O-])c([O-])c2)c(C)c1 ZINC000748130946 1298933049 /nfs/dbraw/zinc/93/30/49/1298933049.db2.gz FYVQMYXDAHFUKC-UHFFFAOYSA-N -1 0 344.396 3.238 20 30 EGEDRM O=C(/C=C\c1ccc([N+](=O)[O-])c([O-])c1)c1ccc2c(c1)CCC(=O)N2 ZINC000748149030 1298937311 /nfs/dbraw/zinc/93/73/11/1298937311.db2.gz YANZOVZIWQFYNO-UQCOIBPSSA-N -1 0 338.319 3.081 20 30 EGEDRM C[C@@H](Oc1cccc(C(=O)/C=C/c2ccc(Cl)nc2)c1)C(=O)[O-] ZINC000748998119 1299122225 /nfs/dbraw/zinc/12/22/25/1299122225.db2.gz NQYNSOGXCZITLV-OKPNEXGHSA-N -1 0 331.755 3.483 20 30 EGEDRM C[C@@H](C#N)CSc1ccccc1[N-]C(=S)NC[C@@H]1CCOC1 ZINC000749704876 1299259227 /nfs/dbraw/zinc/25/92/27/1299259227.db2.gz LREHYJLHWUBNQE-STQMWFEESA-N -1 0 335.498 3.261 20 30 EGEDRM O=C([O-])CCOc1cccc(/C=C2\Oc3ccc(F)cc3C2=O)c1 ZINC000749744918 1299263400 /nfs/dbraw/zinc/26/34/00/1299263400.db2.gz BQSAWNAFRUOYSH-SXGWCWSVSA-N -1 0 328.295 3.295 20 30 EGEDRM O=C([O-])CCOc1ccc(/C=C2\Oc3ccc(F)cc3C2=O)cc1 ZINC000749744870 1299263841 /nfs/dbraw/zinc/26/38/41/1299263841.db2.gz AJSHWGVRJLLRJP-SXGWCWSVSA-N -1 0 328.295 3.295 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)C[C@H]2CCC[C@H](C)C2)n1 ZINC000750239830 1299363121 /nfs/dbraw/zinc/36/31/21/1299363121.db2.gz IBCGCWJDCCVVTM-FPMFFAJLSA-N -1 0 334.441 3.387 20 30 EGEDRM COc1cccc(C(=O)C(C#N)=C([O-])c2c(C)[nH]c3ccccc32)n1 ZINC000752159412 1299704225 /nfs/dbraw/zinc/70/42/25/1299704225.db2.gz FDQJNWUMAGFUDD-CYBMUJFWSA-N -1 0 333.347 3.085 20 30 EGEDRM CCOC(=O)Nc1ccc(NC(=O)c2cc(F)ccc2[O-])cc1C#N ZINC000752627904 1299770336 /nfs/dbraw/zinc/77/03/36/1299770336.db2.gz SBPAFSVNWAXRGO-UHFFFAOYSA-N -1 0 343.314 3.224 20 30 EGEDRM C#CCOc1cccc([N-]S(=O)(=O)c2cc(C)c(F)cc2F)c1 ZINC000753362971 1299922145 /nfs/dbraw/zinc/92/21/45/1299922145.db2.gz HMWNSVQIUYFNNJ-UHFFFAOYSA-N -1 0 337.347 3.086 20 30 EGEDRM O=C([O-])C(=O)/C(=C/c1ccc(O)c(F)c1)c1ccc2ccccc2n1 ZINC000755570312 1300360031 /nfs/dbraw/zinc/36/00/31/1300360031.db2.gz HCHFUVNGYYSADE-UKTHLTGXSA-N -1 0 337.306 3.274 20 30 EGEDRM C[C@@H](Oc1cccc(C(=O)/C=C/c2ccc(O)c(F)c2)c1)C(=O)[O-] ZINC000755592176 1300361935 /nfs/dbraw/zinc/36/19/35/1300361935.db2.gz XTCLOOJAEAHMBF-OKPNEXGHSA-N -1 0 330.311 3.279 20 30 EGEDRM CS(=O)(=O)c1ccc(/C=C/C(=O)c2cc(Cl)ccc2[O-])cc1 ZINC000757468633 1300672811 /nfs/dbraw/zinc/67/28/11/1300672811.db2.gz UADMRGXYWRQZIS-XBXARRHUSA-N -1 0 336.796 3.345 20 30 EGEDRM COc1cc(F)cc(NN=C(C)c2cccc(OCC(=O)[O-])c2)c1 ZINC000759209266 1301042154 /nfs/dbraw/zinc/04/21/54/1301042154.db2.gz DDOFIZVOQFKDFY-UHFFFAOYSA-N -1 0 332.331 3.134 20 30 EGEDRM CCCC=CC(=O)C(C#N)=C([O-])c1c(C)[nH]c(C)c1C(=O)OCC ZINC000759235196 1301046479 /nfs/dbraw/zinc/04/64/79/1301046479.db2.gz AFFLGODUBDYBQR-YXVBKTCISA-N -1 0 330.384 3.056 20 30 EGEDRM COc1cccc2c1C/C(=C\c1ccc(OCCC(=O)[O-])cc1)C2=O ZINC000759665699 1301137664 /nfs/dbraw/zinc/13/76/64/1301137664.db2.gz QITCLVIZQRYSPC-SDNWHVSQSA-N -1 0 338.359 3.371 20 30 EGEDRM CC[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)Nc1cc(C#N)ccc1[O-] ZINC000759713109 1301146417 /nfs/dbraw/zinc/14/64/17/1301146417.db2.gz HDNPYNRYZWWEPX-SFHVURJKSA-N -1 0 347.415 3.143 20 30 EGEDRM CC(=NNc1ccc(C(=O)[O-])cc1)c1cnn(Cc2ccccc2)c1 ZINC000760217826 1301235253 /nfs/dbraw/zinc/23/52/53/1301235253.db2.gz JXQLPMDZIRJMGP-UHFFFAOYSA-N -1 0 334.379 3.466 20 30 EGEDRM Cc1ccc(-c2cccc(/C=C/C(=O)c3cnc([O-])n(C)c3=O)c2)cc1 ZINC000761806368 1301543739 /nfs/dbraw/zinc/54/37/39/1301543739.db2.gz ZUJZXFNYNZNFFO-DHZHZOJOSA-N -1 0 346.386 3.357 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2cc(C)c(F)c(C)c2)n1 ZINC000763881441 1301974509 /nfs/dbraw/zinc/97/45/09/1301974509.db2.gz MDGWLQFZRAYHTC-ZDUSSCGKSA-N -1 0 346.383 3.241 20 30 EGEDRM COc1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)nc1Cl ZINC000766845922 1302530775 /nfs/dbraw/zinc/53/07/75/1302530775.db2.gz HEWOTXJCCPLNFB-SECBINFHSA-N -1 0 327.727 3.375 20 30 EGEDRM Cc1nc2ccccc2c(=O)n1N=Cc1cc(Cl)cc(F)c1[O-] ZINC000768357609 1302887230 /nfs/dbraw/zinc/88/72/30/1302887230.db2.gz PBMABLDJWDJFAV-UHFFFAOYSA-N -1 0 331.734 3.085 20 30 EGEDRM CS(=O)(=O)c1ccc(/C=C/C(=O)c2ccc([O-])c(Cl)c2)cc1 ZINC000768751493 1302971645 /nfs/dbraw/zinc/97/16/45/1302971645.db2.gz CETLGMLEILWNAF-XBXARRHUSA-N -1 0 336.796 3.345 20 30 EGEDRM CC[C@H](CC(=O)[N-]S(=O)(=O)CC1(C#N)CCC1)c1ccc(C)cc1 ZINC000771082327 1303357347 /nfs/dbraw/zinc/35/73/47/1303357347.db2.gz YURUQNQWAUEYBJ-OAHLLOKOSA-N -1 0 348.468 3.019 20 30 EGEDRM CCC1(O)CCC(/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000771520652 1303416228 /nfs/dbraw/zinc/41/62/28/1303416228.db2.gz OQNLTZCGEIZGJM-MFOYZWKCSA-N -1 0 326.780 3.456 20 30 EGEDRM Cc1nnc(-c2cccc(N=Cc3cc([N+](=O)[O-])ccc3[O-])c2)n1C ZINC000772803852 1303579493 /nfs/dbraw/zinc/57/94/93/1303579493.db2.gz VLPRYNWIOZYCGY-UHFFFAOYSA-N -1 0 337.339 3.155 20 30 EGEDRM C#CCOc1ccccc1[N-]S(=O)(=O)c1cc(F)c(C)cc1F ZINC000775297883 1303936354 /nfs/dbraw/zinc/93/63/54/1303936354.db2.gz BMBDPWHBNSHLHX-UHFFFAOYSA-N -1 0 337.347 3.086 20 30 EGEDRM COc1cccc(OC)c1/C=C/C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000776189907 1304109540 /nfs/dbraw/zinc/10/95/40/1304109540.db2.gz LLSRVKJEZMOPKS-MDZDMXLPSA-N -1 0 342.347 3.063 20 30 EGEDRM COc1cc(/C=C/C(=O)c2cccc(F)c2F)ccc1OCC(=O)[O-] ZINC000776267834 1304124011 /nfs/dbraw/zinc/12/40/11/1304124011.db2.gz GCQUPXWSLSGQLF-FNORWQNLSA-N -1 0 348.301 3.333 20 30 EGEDRM C[C@H](Oc1cccc(/C=C\C(=O)c2ccc(C#N)c(F)c2)c1)C(=O)[O-] ZINC000776726786 1304188143 /nfs/dbraw/zinc/18/81/43/1304188143.db2.gz NMRVZHWRCVNYEB-JECSTDCCSA-N -1 0 339.322 3.445 20 30 EGEDRM CC(=NNC(=S)NC1CCCCC1)c1ccc(C(=O)[O-])c(F)c1 ZINC000776759077 1304195029 /nfs/dbraw/zinc/19/50/29/1304195029.db2.gz XAGMDPKWMMZTIF-UHFFFAOYSA-N -1 0 337.420 3.045 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)cc(Cl)n1 ZINC000778650545 1304476876 /nfs/dbraw/zinc/47/68/76/1304476876.db2.gz ITFBJPMLGJMUHH-NSHDSACASA-N -1 0 325.759 3.113 20 30 EGEDRM CCC[C@H](C(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1)c1ccccc1 ZINC000779314124 1304554855 /nfs/dbraw/zinc/55/48/55/1304554855.db2.gz AFHPPRXSQWFHET-INIZCTEOSA-N -1 0 348.468 3.100 20 30 EGEDRM CCCCC[C@@H](C(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1)C(C)C ZINC000779312886 1304554866 /nfs/dbraw/zinc/55/48/66/1304554866.db2.gz IBTBTOBWUWVZPW-OAHLLOKOSA-N -1 0 342.505 3.369 20 30 EGEDRM COc1cc(-c2ccccc2)ccc1C=NNc1nnc(C)c(=O)[n-]1 ZINC000781117634 1304773502 /nfs/dbraw/zinc/77/35/02/1304773502.db2.gz DXABHUIURZZHMZ-UHFFFAOYSA-N -1 0 335.367 3.007 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1N=NC(C)c1ccc(NC(C)=O)cc1 ZINC000781596287 1304846055 /nfs/dbraw/zinc/84/60/55/1304846055.db2.gz BZZWMUDQICDVQW-UHFFFAOYSA-N -1 0 341.367 3.188 20 30 EGEDRM CCOc1ccc(C=Nn2c(=S)[n-]nc2C(F)(F)F)cc1F ZINC000782132953 1304919220 /nfs/dbraw/zinc/91/92/20/1304919220.db2.gz MWIQGVPXWSUGOT-UHFFFAOYSA-N -1 0 334.298 3.006 20 30 EGEDRM CCC(=O)c1ccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)cc1 ZINC000783350793 1305082732 /nfs/dbraw/zinc/08/27/32/1305082732.db2.gz RIBOHXLWXIJTNC-INIZCTEOSA-N -1 0 326.396 3.051 20 30 EGEDRM N#CC(C(=O)NCc1cccc(Cl)c1)=C([O-])c1ccc(F)cc1 ZINC000786534464 1305591722 /nfs/dbraw/zinc/59/17/22/1305591722.db2.gz LHLVCBDGLLDHPD-OAHLLOKOSA-N -1 0 330.746 3.118 20 30 EGEDRM Cc1nc(C)c(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)s1 ZINC000786535990 1305592514 /nfs/dbraw/zinc/59/25/14/1305592514.db2.gz WZYORFGWXANZAE-CYBMUJFWSA-N -1 0 347.827 3.052 20 30 EGEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2cncc3ccccc32)c1 ZINC000786549497 1305594898 /nfs/dbraw/zinc/59/48/98/1305594898.db2.gz RERUUDSTQRGJGL-GOSISDBHSA-N -1 0 343.386 3.182 20 30 EGEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2cnc(C(C)C)s2)c1 ZINC000786547892 1305595498 /nfs/dbraw/zinc/59/54/98/1305595498.db2.gz YMWYZIMBYXPHMW-AWEZNQCLSA-N -1 0 341.436 3.214 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)C(=O)NCc2ccc(F)cc2F)ccc1F ZINC000786557764 1305598210 /nfs/dbraw/zinc/59/82/10/1305598210.db2.gz IWWXXOSPTSXQOV-AWEZNQCLSA-N -1 0 346.308 3.051 20 30 EGEDRM Cc1cc(F)cc(C([O-])=C(C#N)C(=O)NCc2ccc(F)c(F)c2)c1 ZINC000786566211 1305600678 /nfs/dbraw/zinc/60/06/78/1305600678.db2.gz XBWNBXKKCQJCGB-CQSZACIVSA-N -1 0 346.308 3.051 20 30 EGEDRM C=C1CCC(C(=O)[N-]S(=O)(=O)Cc2cccc(Cl)c2)CC1 ZINC000892959468 1305627863 /nfs/dbraw/zinc/62/78/63/1305627863.db2.gz FCZPJCCYXYNKDW-UHFFFAOYSA-N -1 0 327.833 3.032 20 30 EGEDRM C#CCCCCCC(=O)[N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC000786999493 1305673247 /nfs/dbraw/zinc/67/32/47/1305673247.db2.gz CTPRSEQOSMRXHA-UHFFFAOYSA-N -1 0 345.823 3.009 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cccc2c1OCC2(C)C ZINC000789402228 1306155159 /nfs/dbraw/zinc/15/51/59/1306155159.db2.gz FIVMCJXNDVAZEZ-OAHLLOKOSA-N -1 0 342.439 3.376 20 30 EGEDRM CC(=O)c1cc(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)ccc1C ZINC000789493059 1306171145 /nfs/dbraw/zinc/17/11/45/1306171145.db2.gz YRWCHLGXOZHHLE-LJQANCHMSA-N -1 0 348.402 3.145 20 30 EGEDRM C=CCOc1cccc(CNc2cc3c(c(C(=O)[O-])c2)OCCO3)c1 ZINC000789901582 1306229047 /nfs/dbraw/zinc/22/90/47/1306229047.db2.gz AXYDIVVJFIDMHI-UHFFFAOYSA-N -1 0 341.363 3.333 20 30 EGEDRM CC[C@@H](NN=C1C[C@H](C)c2c1cccc2Br)C(=O)[O-] ZINC000793057882 1309288157 /nfs/dbraw/zinc/28/81/57/1309288157.db2.gz QXSWLVMXJZIIRG-GZMMTYOYSA-N -1 0 325.206 3.113 20 30 EGEDRM CC[C@H](NN=C1CCC(O)(c2ccc(C(C)C)cc2)CC1)C(=O)[O-] ZINC000793070742 1309290242 /nfs/dbraw/zinc/29/02/42/1309290242.db2.gz DIUQLWGBEFRANI-KKFHFHRHSA-N -1 0 332.444 3.380 20 30 EGEDRM CC[C@@H](NN=C(C)c1ccc(SC(F)F)c(OC)c1)C(=O)[O-] ZINC000793079315 1309292231 /nfs/dbraw/zinc/29/22/31/1309292231.db2.gz QRXIXBBAIOEQCQ-SNVBAGLBSA-N -1 0 332.372 3.187 20 30 EGEDRM CC#CCCCC(=O)[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000793351671 1309351636 /nfs/dbraw/zinc/35/16/36/1309351636.db2.gz HKQRGWHHDZYBPI-UHFFFAOYSA-N -1 0 348.251 3.300 20 30 EGEDRM COc1cc(OC)c(/C=C/C(=O)c2cc(F)ccc2[O-])c(OC)c1 ZINC000794703182 1309578272 /nfs/dbraw/zinc/57/82/72/1309578272.db2.gz SWQAIFQXBGECQS-FNORWQNLSA-N -1 0 332.327 3.453 20 30 EGEDRM COC(=O)c1ccc(Cl)c(C=NNc2cccc(C(=O)[O-])c2)c1 ZINC000794845466 1309606619 /nfs/dbraw/zinc/60/66/19/1309606619.db2.gz PSAIVHKJXBYJFX-UHFFFAOYSA-N -1 0 332.743 3.271 20 30 EGEDRM Cc1cc(C)c(C(=O)[O-])cc1C=CC(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000794939565 1309627746 /nfs/dbraw/zinc/62/77/46/1309627746.db2.gz WQCNUNGQNMAVEU-XQRVVYSFSA-N -1 0 336.347 3.480 20 30 EGEDRM N#CC(C(=O)Nc1ccccn1)=C([O-])c1ccc(C(F)(F)F)s1 ZINC000796821583 1310094537 /nfs/dbraw/zinc/09/45/37/1310094537.db2.gz ZJDFEVQNKLBIBL-QMMMGPOBSA-N -1 0 339.298 3.123 20 30 EGEDRM C=CCS(=O)(=O)[N-]C(=O)c1csc(-c2ccc(Cl)cc2)c1 ZINC000796995632 1310120602 /nfs/dbraw/zinc/12/06/02/1310120602.db2.gz FIIKCCQOXUKWAF-UHFFFAOYSA-N -1 0 341.841 3.314 20 30 EGEDRM Cc1nc(C(C)C)oc1C([O-])=C(C#N)C(=O)NCc1cccc(C)c1 ZINC000797141868 1310146171 /nfs/dbraw/zinc/14/61/71/1310146171.db2.gz KNRUJERVCQWEMC-HNNXBMFYSA-N -1 0 339.395 3.054 20 30 EGEDRM C=CCS(=O)(=O)[N-]C(=O)[C@H]1CC12CCC(C(C)(C)CC)CC2 ZINC000797186028 1310154298 /nfs/dbraw/zinc/15/42/98/1310154298.db2.gz ZIAWRYFWMUECCS-XOYHFGRZSA-N -1 0 327.490 3.251 20 30 EGEDRM C=CCC(C)(C)C(=O)[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000797250146 1310163039 /nfs/dbraw/zinc/16/30/39/1310163039.db2.gz ZMLCUZPWOXXNHM-UHFFFAOYSA-N -1 0 337.775 3.025 20 30 EGEDRM CC(C)c1c(Cl)ncnc1N=NCc1ccccc1OCC(=O)[O-] ZINC000797404203 1310185279 /nfs/dbraw/zinc/18/52/79/1310185279.db2.gz BCTXDPOQRRUABC-UHFFFAOYSA-N -1 0 348.790 3.163 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)NC[C@H](C)c1c(Cl)cccc1Cl ZINC000797717807 1310236921 /nfs/dbraw/zinc/23/69/21/1310236921.db2.gz FZCBWVVYSOHYLK-JTQLQIEISA-N -1 0 345.226 3.379 20 30 EGEDRM N#Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000798211109 1310317965 /nfs/dbraw/zinc/31/79/65/1310317965.db2.gz YYWSQXIEJBDJSD-UHFFFAOYSA-N -1 0 334.209 3.122 20 30 EGEDRM O=C(/C=C\c1cc([O-])ccc1[N+](=O)[O-])c1ccnn1-c1ccccc1 ZINC000798371299 1310348453 /nfs/dbraw/zinc/34/84/53/1310348453.db2.gz AWCJQAXLVJPOHN-TWGQIWQCSA-N -1 0 335.319 3.382 20 30 EGEDRM N#CC1(CS(=O)(=O)[N-]C(=O)c2cccc(C3CCC3)c2)CCCC1 ZINC000798850651 1310450527 /nfs/dbraw/zinc/45/05/27/1310450527.db2.gz RPAXGMWNLISPNH-UHFFFAOYSA-N -1 0 346.452 3.098 20 30 EGEDRM CCCCCCCS(=O)(=O)[N-]c1nncn1Cc1ccccc1 ZINC000799637714 1310591910 /nfs/dbraw/zinc/59/19/10/1310591910.db2.gz AJBLBENGGQIJDV-UHFFFAOYSA-N -1 0 336.461 3.039 20 30 EGEDRM COC(=O)c1c(F)cccc1NN=C(C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000800817085 1310810994 /nfs/dbraw/zinc/81/09/94/1310810994.db2.gz NAFVBGSJCFXTBT-UHFFFAOYSA-N -1 0 347.302 3.062 20 30 EGEDRM C#CCCCCCC(=O)[N-]S(=O)(=O)Cc1c(F)cccc1Cl ZINC000839027968 1320852688 /nfs/dbraw/zinc/85/26/88/1320852688.db2.gz BINIMYVGCBQISV-UHFFFAOYSA-N -1 0 345.823 3.009 20 30 EGEDRM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1coc(C2CC2)n1 ZINC000802041087 1316975406 /nfs/dbraw/zinc/97/54/06/1316975406.db2.gz VXEFPQLGPDXNMD-GFCCVEGCSA-N -1 0 329.743 3.167 20 30 EGEDRM Cc1cc(=O)c(COC(=O)c2ccc(C#Cc3ccccc3)cc2)n[n-]1 ZINC000802175966 1316984482 /nfs/dbraw/zinc/98/44/82/1316984482.db2.gz JOOVJKHYQZTURH-UHFFFAOYSA-N -1 0 344.370 3.247 20 30 EGEDRM C[C@@H](CCc1ccc2c(c1)OCO2)NN=Cc1ccccc1C(=O)[O-] ZINC000802713642 1317028172 /nfs/dbraw/zinc/02/81/72/1317028172.db2.gz QFOBJFXZKDOEJR-ZDUSSCGKSA-N -1 0 340.379 3.058 20 30 EGEDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N(O)Cc1cccc2ccccc21 ZINC000900091920 1317234893 /nfs/dbraw/zinc/23/48/93/1317234893.db2.gz SSYZOOYRLUBYCV-UHFFFAOYSA-N -1 0 338.319 3.485 20 30 EGEDRM N#C[C@H]1CCCN(C(=O)c2cc(Br)cc(Cl)c2[O-])C1 ZINC000900637891 1317318266 /nfs/dbraw/zinc/31/82/66/1317318266.db2.gz ULBHSWGBCRSGFR-MRVPVSSYSA-N -1 0 343.608 3.184 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cccc2oc(C)nc21 ZINC000805851372 1317432108 /nfs/dbraw/zinc/43/21/08/1317432108.db2.gz IEVNXEYWFCDZDE-CQSZACIVSA-N -1 0 327.384 3.155 20 30 EGEDRM CC(C)(C)CCCCC(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC000805911615 1317438145 /nfs/dbraw/zinc/43/81/45/1317438145.db2.gz IREISDPZPZCBHW-UHFFFAOYSA-N -1 0 328.478 3.123 20 30 EGEDRM CCN(C)c1ccc(/C=C2\CCc3occ(C(=O)[O-])c3C2=O)cn1 ZINC000901513752 1317437858 /nfs/dbraw/zinc/43/78/58/1317437858.db2.gz CTVVXKOOBWCEIG-XYOKQWHBSA-N -1 0 326.352 3.041 20 30 EGEDRM CC(C)(C)CCCCC(=O)[N-]S(=O)(=O)c1cccc(F)c1C#N ZINC000805923755 1317439312 /nfs/dbraw/zinc/43/93/12/1317439312.db2.gz PPGGNVGJGFQAON-UHFFFAOYSA-N -1 0 340.420 3.109 20 30 EGEDRM COc1cc(/C=C\C(=O)c2cccc(C(=O)[O-])c2)cc(OC)c1O ZINC000806559310 1317500442 /nfs/dbraw/zinc/50/04/42/1317500442.db2.gz YUDRYAJKLGTCQT-SREVYHEPSA-N -1 0 328.320 3.004 20 30 EGEDRM COc1ccc(/C=C/C(=O)c2cccc(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000806558624 1317500917 /nfs/dbraw/zinc/50/09/17/1317500917.db2.gz HUCHQNDQUJRBLR-FNORWQNLSA-N -1 0 327.292 3.198 20 30 EGEDRM O=C([O-])[C@H]1C/C(=C\c2csc([N+](=O)[O-])c2)C(=O)c2ccccc21 ZINC000806563328 1317502398 /nfs/dbraw/zinc/50/23/98/1317502398.db2.gz UTZVMWCVXYSCFG-KADSFNECSA-N -1 0 329.333 3.495 20 30 EGEDRM N#Cc1ccc(C(=O)NCc2cc(Cl)cc(Cl)c2[O-])cc1O ZINC000807837049 1317590676 /nfs/dbraw/zinc/59/06/76/1317590676.db2.gz YZBZYBVXSXPSEY-UHFFFAOYSA-N -1 0 337.162 3.206 20 30 EGEDRM Cc1cc(C#N)c([N-]S(=O)(=O)C[C@]2(C)CC2(Cl)Cl)s1 ZINC000903169589 1317667160 /nfs/dbraw/zinc/66/71/60/1317667160.db2.gz MFFGEFNLYZRPCB-JTQLQIEISA-N -1 0 339.269 3.254 20 30 EGEDRM COc1cc(C(C)C)c(S(=O)(=O)[N-]c2cc(C#N)ccn2)cc1C ZINC000903625027 1317713509 /nfs/dbraw/zinc/71/35/09/1317713509.db2.gz NWAJUPHKUYFBQE-UHFFFAOYSA-N -1 0 345.424 3.195 20 30 EGEDRM O=C(/C=C/c1ccc(N2CCC(O)CC2)cc1)c1cc(F)ccc1[O-] ZINC000905072931 1317919551 /nfs/dbraw/zinc/91/95/51/1317919551.db2.gz GQCHCHPSLZZALW-XVNBXDOJSA-N -1 0 341.382 3.389 20 30 EGEDRM CC1(C)Cc2cc(S(=O)(=O)[N-]c3sccc3C#N)ccc2O1 ZINC000906069020 1318034370 /nfs/dbraw/zinc/03/43/70/1318034370.db2.gz SLQKDTYVIFBZFN-UHFFFAOYSA-N -1 0 334.422 3.134 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000810985036 1318086590 /nfs/dbraw/zinc/08/65/90/1318086590.db2.gz VKAWFBKPDQMPAH-UHFFFAOYSA-N -1 0 334.224 3.162 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)C[C@H](CC)c2ccc(C)cc2)CC1 ZINC000810985971 1318087048 /nfs/dbraw/zinc/08/70/48/1318087048.db2.gz WBYYRSRCXYLMSY-HNNXBMFYSA-N -1 0 335.469 3.433 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@H](CC)Sc2ccccc2)CC1 ZINC000810988326 1318087410 /nfs/dbraw/zinc/08/74/10/1318087410.db2.gz HBMPBHCFFYCAPF-AWEZNQCLSA-N -1 0 339.482 3.112 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000810987387 1318087849 /nfs/dbraw/zinc/08/78/49/1318087849.db2.gz KMZMBROZNLUUIB-UHFFFAOYSA-N -1 0 334.224 3.162 20 30 EGEDRM C=CCCCCCCCNC(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000811589870 1318206603 /nfs/dbraw/zinc/20/66/03/1318206603.db2.gz JSYAOCQZPMTJPJ-UHFFFAOYSA-N -1 0 338.473 3.315 20 30 EGEDRM O=C(/C=C/c1ccc([O-])c([N+](=O)[O-])c1)c1ccc(Br)nc1 ZINC000811695850 1318230002 /nfs/dbraw/zinc/23/00/02/1318230002.db2.gz MVCQVFPAYICLQH-DAFODLJHSA-N -1 0 349.140 3.354 20 30 EGEDRM COc1ccc(C(=O)/C=C/c2ccc(OCCC(=O)[O-])cc2)cc1O ZINC000811699654 1318230740 /nfs/dbraw/zinc/23/07/40/1318230740.db2.gz XPINNVNIQJULHN-XBXARRHUSA-N -1 0 342.347 3.150 20 30 EGEDRM COc1ccc(F)cc1/C=C/C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000812240856 1318349504 /nfs/dbraw/zinc/34/95/04/1318349504.db2.gz UXKUMCAGMQSVEV-FNORWQNLSA-N -1 0 330.311 3.194 20 30 EGEDRM C=CCC[C@H](NC(=O)NC[C@@H]1CCC[C@H](C(F)(F)F)C1)C(=O)[O-] ZINC000909004981 1318425912 /nfs/dbraw/zinc/42/59/12/1318425912.db2.gz RDKLQSCZWKWTMQ-WOPDTQHZSA-N -1 0 336.354 3.074 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)N[C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000909183377 1318444853 /nfs/dbraw/zinc/44/48/53/1318444853.db2.gz QSCORSDNTANKGY-INIZCTEOSA-N -1 0 332.375 3.044 20 30 EGEDRM O=C([O-])C1(c2ccccc2)CC(=NNCc2cc(F)ccc2F)C1 ZINC000814808982 1318822895 /nfs/dbraw/zinc/82/28/95/1318822895.db2.gz MOUBYKRCVQHPSZ-UHFFFAOYSA-N -1 0 330.334 3.227 20 30 EGEDRM C[C@H]1C(=NNCc2ccc(Br)cc2)CC[C@H]1CC(=O)[O-] ZINC000814829380 1318826430 /nfs/dbraw/zinc/82/64/30/1318826430.db2.gz RMSGBTTUANFRAD-PWSUYJOCSA-N -1 0 339.233 3.416 20 30 EGEDRM COc1ccc(CCNN=C(C)[C@@H]2C[C@H](CC(=O)[O-])C2(C)C)cc1 ZINC000814855835 1318832413 /nfs/dbraw/zinc/83/24/13/1318832413.db2.gz VBFHLZBCPBLASW-WBVHZDCISA-N -1 0 332.444 3.340 20 30 EGEDRM CC(=NNc1ccc2n[nH]cc2c1)c1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000814900245 1318843107 /nfs/dbraw/zinc/84/31/07/1318843107.db2.gz JZAPUCDLDUTNPO-LBPRGKRZSA-N -1 0 338.367 3.251 20 30 EGEDRM O=C([O-])CNN=C1CCCc2nc(-c3ccc(Cl)cc3)sc21 ZINC000814958446 1318860499 /nfs/dbraw/zinc/86/04/99/1318860499.db2.gz STSORMGSDJEKCE-UHFFFAOYSA-N -1 0 335.816 3.178 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)c2cnc3c(F)ccc(F)c3c2)c1 ZINC000815878069 1319067029 /nfs/dbraw/zinc/06/70/29/1319067029.db2.gz RNDLBUVKLVVAJA-UHFFFAOYSA-N -1 0 325.274 3.343 20 30 EGEDRM C=CCC(F)(F)C(=O)[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000816017898 1319088800 /nfs/dbraw/zinc/08/88/00/1319088800.db2.gz OUXLHCPZPJZYOA-UHFFFAOYSA-N -1 0 344.166 3.010 20 30 EGEDRM CCCCCCCC(=O)N[C@H](C)[C@H](C)C(=O)Nc1ncccc1O ZINC000816611287 1319193959 /nfs/dbraw/zinc/19/39/59/1319193959.db2.gz LWDMPSZWZGOQEO-UONOGXRCSA-N -1 0 335.448 3.227 20 30 EGEDRM Cc1cccc(C)c1NC(=S)NN=Cc1ccc([O-])c([N+](=O)[O-])c1 ZINC000915912081 1319560742 /nfs/dbraw/zinc/56/07/42/1319560742.db2.gz OPABBJJEQSYSFK-UHFFFAOYSA-N -1 0 344.396 3.238 20 30 EGEDRM CC(C)Oc1ccc(C=Nn2c(=O)c3ccccc3[n-]c2=S)cc1 ZINC000915956866 1319570058 /nfs/dbraw/zinc/57/00/58/1319570058.db2.gz FJMHWSVDQJMIFA-UHFFFAOYSA-N -1 0 339.420 3.355 20 30 EGEDRM COc1cccc(C(=O)/C=C\c2ccc(OCCC(=O)[O-])cc2)c1 ZINC000915980907 1319578342 /nfs/dbraw/zinc/57/83/42/1319578342.db2.gz ACWKAMBCVKRHKF-YFHOEESVSA-N -1 0 326.348 3.445 20 30 EGEDRM Cc1ccc(/C=C/C(=O)c2ccc(CC(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000915990930 1319580961 /nfs/dbraw/zinc/58/09/61/1319580961.db2.gz SCPYINZTIPPCFS-RMKNXTFCSA-N -1 0 325.320 3.426 20 30 EGEDRM Cc1nc2ccccn2c1C=NNc1ccc(Cl)c(C(=O)[O-])c1 ZINC000916259909 1319625821 /nfs/dbraw/zinc/62/58/21/1319625821.db2.gz VKVNJNRBSAVGAI-UHFFFAOYSA-N -1 0 328.759 3.440 20 30 EGEDRM Cc1nnc(NN=Cc2c(OC(F)F)ccc3ccccc32)[n-]c1=O ZINC000916284230 1319632829 /nfs/dbraw/zinc/63/28/29/1319632829.db2.gz RVTFBHTUJGEXAV-UHFFFAOYSA-N -1 0 345.309 3.086 20 30 EGEDRM C=CCOc1cccc(C=Nn2c(=S)[n-]nc2C(F)(F)F)c1 ZINC000916305220 1319637300 /nfs/dbraw/zinc/63/73/00/1319637300.db2.gz MPUODPNEIWBQHH-UHFFFAOYSA-N -1 0 328.319 3.033 20 30 EGEDRM Cc1cccc2sc(C([O-])=C(C#N)C(=O)NC3CC3)c(Cl)c21 ZINC000916930920 1319726186 /nfs/dbraw/zinc/72/61/86/1319726186.db2.gz KYUMNLLMQCRLKD-SNVBAGLBSA-N -1 0 332.812 3.464 20 30 EGEDRM C=C[C@@H](C)O[N-]C(=O)[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 ZINC000824033349 1320223907 /nfs/dbraw/zinc/22/39/07/1320223907.db2.gz JVGAZKARWVCHSR-OCCSQVGLSA-N -1 0 332.400 3.148 20 30 EGEDRM CC(C)CN(CCC#N)C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000824234874 1320241008 /nfs/dbraw/zinc/24/10/08/1320241008.db2.gz VZQMWIHKTPZSNP-UHFFFAOYSA-N -1 0 346.818 3.243 20 30 EGEDRM N#CC[C@H]1CCCN(C(=O)c2ccc(-c3ccc(C=O)o3)cc2[O-])C1 ZINC000824380430 1320252716 /nfs/dbraw/zinc/25/27/16/1320252716.db2.gz RVACOKRTNMZTIB-CYBMUJFWSA-N -1 0 338.363 3.231 20 30 EGEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)[C@@H](C)C1CCC1 ZINC000838790049 1320817304 /nfs/dbraw/zinc/81/73/04/1320817304.db2.gz CUOIMGGEJXDSAH-IINYFYTJSA-N -1 0 344.411 3.136 20 30 EGEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)[C@@H](C)C1CCC1 ZINC000838790046 1320817594 /nfs/dbraw/zinc/81/75/94/1320817594.db2.gz CUOIMGGEJXDSAH-HZMBPMFUSA-N -1 0 344.411 3.136 20 30 EGEDRM CC(C)CCCCC(=O)[N-]S(=O)(=O)CC1(C#N)CCCCC1 ZINC000838857550 1320824463 /nfs/dbraw/zinc/82/44/63/1320824463.db2.gz SEZZHCDLHBYIGM-UHFFFAOYSA-N -1 0 328.478 3.123 20 30 EGEDRM C#CCCCS(=O)(=O)[N-]c1ncc(Cc2cccc(F)c2)s1 ZINC000840945718 1321182543 /nfs/dbraw/zinc/18/25/43/1321182543.db2.gz AIXANICTVSPMAO-UHFFFAOYSA-N -1 0 338.429 3.028 20 30 EGEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1coc2ccc(Cl)cc12 ZINC000845451607 1321709007 /nfs/dbraw/zinc/70/90/07/1321709007.db2.gz ONPDDOUJATZHQJ-CYBMUJFWSA-N -1 0 330.771 3.467 20 30 EGEDRM C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cccc(Cl)c1SC(C)C ZINC000846154696 1321772827 /nfs/dbraw/zinc/77/28/27/1321772827.db2.gz PPZMNZOWFGATJX-JTQLQIEISA-N -1 0 342.848 3.401 20 30 EGEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1cc(Cl)nc(C2CC2)c1 ZINC000847623308 1321885136 /nfs/dbraw/zinc/88/51/36/1321885136.db2.gz HWWBDJIKASIADQ-CQSZACIVSA-N -1 0 345.830 3.384 20 30 EGEDRM COc1ccc(C(=O)/C=C\c2ccc(O[C@@H]3CCOC3)cc2)c([O-])c1 ZINC000849247251 1322101854 /nfs/dbraw/zinc/10/18/54/1322101854.db2.gz RBQANAAWMCHJAZ-INDRUJQFSA-N -1 0 340.375 3.465 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2c(C)cc(F)cc2C)n1 ZINC000849983948 1322176414 /nfs/dbraw/zinc/17/64/14/1322176414.db2.gz LOHAAHIULKDTKW-ZDUSSCGKSA-N -1 0 346.383 3.241 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)C[C@H]2CCCC[C@@H]2C)n1 ZINC000920727661 1322213030 /nfs/dbraw/zinc/21/30/30/1322213030.db2.gz KZOMGMOJYWPFNK-IACUBPJLSA-N -1 0 334.441 3.387 20 30 EGEDRM O=[N+]([O-])c1cccc(C/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])c1 ZINC000921261626 1322282524 /nfs/dbraw/zinc/28/25/24/1322282524.db2.gz RSPXTGPUPRPSDE-LZYBPNLTSA-N -1 0 335.703 3.481 20 30 EGEDRM C=C[C@@H](C)O[N-]C(=O)C(C)(C)Oc1ccc(Br)cc1 ZINC000855028421 1325336419 /nfs/dbraw/zinc/33/64/19/1325336419.db2.gz VOQWCGMOEZJOHY-SNVBAGLBSA-N -1 0 328.206 3.229 20 30 EGEDRM C=CCC[C@H](NC(=O)N(C)[C@@H](COC(C)C)C(=O)[O-])c1ccccc1 ZINC000929042468 1328495270 /nfs/dbraw/zinc/49/52/70/1328495270.db2.gz FLPRWXGNMBGNFN-IRXDYDNUSA-N -1 0 348.443 3.214 20 30 EGEDRM O=C([O-])c1ccc(C=NNCC(F)(F)C(F)(F)F)c(Cl)c1 ZINC000863181412 1329532695 /nfs/dbraw/zinc/53/26/95/1329532695.db2.gz NEIOFPNZGMGISX-UHFFFAOYSA-N -1 0 330.640 3.159 20 30 EGEDRM O=C([O-])/C=C/c1ccc(/C=C2/S/C(=N/C3CCCC3)NC2=O)cc1 ZINC000865214901 1329676550 /nfs/dbraw/zinc/67/65/50/1329676550.db2.gz GHHICRBOHPTBFX-LVICEBGESA-N -1 0 342.420 3.287 20 30 EGEDRM N#CCN(C(=O)c1cc(Br)cc(F)c1[O-])C1CCCC1 ZINC000865985312 1329756672 /nfs/dbraw/zinc/75/66/72/1329756672.db2.gz ORZBRRASBQCLQI-UHFFFAOYSA-N -1 0 341.180 3.202 20 30 EGEDRM N#CC[C@@H]1CCCN(C(=O)c2cc(Br)cc(F)c2[O-])C1 ZINC000869231087 1330443294 /nfs/dbraw/zinc/44/32/94/1330443294.db2.gz OFWMTYWXBQOKSK-VIFPVBQESA-N -1 0 341.180 3.060 20 30 EGEDRM CCCC#CC(=O)Nc1c(CC(=O)[O-])cccc1C(=O)c1ccccc1 ZINC001184270032 1387421660 /nfs/dbraw/zinc/42/16/60/1387421660.db2.gz BJTYSODOCLOTOE-UHFFFAOYSA-N -1 0 349.386 3.287 20 30 EGEDRM Cc1c(Br)ccc(N)c1NC(=O)CCC(=O)C1=CC=C[CH]1 ZINC001184244465 1387418585 /nfs/dbraw/zinc/41/85/85/1387418585.db2.gz BNNRCGSFLKDIPU-UHFFFAOYSA-N -1 0 348.220 3.328 20 30 EGEDRM Cc1sc([N-]S(=O)(=O)Cc2cc(F)cc(F)c2)c(C#N)c1C ZINC001185088087 1387616018 /nfs/dbraw/zinc/61/60/18/1387616018.db2.gz GYPVSYMKGMOEBW-UHFFFAOYSA-N -1 0 342.392 3.457 20 30 EGEDRM C=CC[C@H](NC(=O)CCCc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC001324488287 1387645175 /nfs/dbraw/zinc/64/51/75/1387645175.db2.gz NJCDOAYDCAEKRW-ZDUSSCGKSA-N -1 0 329.318 3.174 20 30 EGEDRM C=CC[C@@H](NC(=O)CCCc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC001324488286 1387645204 /nfs/dbraw/zinc/64/52/04/1387645204.db2.gz NJCDOAYDCAEKRW-CYBMUJFWSA-N -1 0 329.318 3.174 20 30 EGEDRM N#Cc1cc(NC(=O)Nc2ccc(F)c(F)c2F)c([O-])cc1F ZINC001185331778 1387685495 /nfs/dbraw/zinc/68/54/95/1387685495.db2.gz ZDBZNKDWYICJIC-UHFFFAOYSA-N -1 0 325.221 3.464 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2cc(C#N)c(F)cc2O)ccc1Cl ZINC001185529927 1387740688 /nfs/dbraw/zinc/74/06/88/1387740688.db2.gz OVPFSSPGHBKVMF-UHFFFAOYSA-N -1 0 340.763 3.166 20 30 EGEDRM Cc1ccc(C)c([N-]S(=O)(=O)Cc2cccc(F)c2F)c1C#N ZINC001189469170 1367031965 /nfs/dbraw/zinc/03/19/65/1367031965.db2.gz ARRGPLXRZYGXLF-UHFFFAOYSA-N -1 0 336.363 3.395 20 30 EGEDRM C#Cc1ccc([N-]S(=O)(=O)c2cc(OC)ccc2Cl)cc1F ZINC001189613521 1367069551 /nfs/dbraw/zinc/06/95/51/1367069551.db2.gz KMOJTLOCJJAEKB-UHFFFAOYSA-N -1 0 339.775 3.270 20 30 EGEDRM C[C@@H]1CCC[C@H](C[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)[C@@H]1C ZINC001189794635 1367110064 /nfs/dbraw/zinc/11/00/64/1367110064.db2.gz RYRNGGJGJMBZAP-NQBHXWOUSA-N -1 0 342.411 3.187 20 30 EGEDRM N#Cc1c(F)cc([N-]S(=O)(=O)c2cc(F)cc(F)c2F)cc1F ZINC001190395698 1367251978 /nfs/dbraw/zinc/25/19/78/1367251978.db2.gz QPSSDSIFWJLEOS-UHFFFAOYSA-N -1 0 348.252 3.055 20 30 EGEDRM CC(C)(C)n1ncc(C#N)c1[N-]S(=O)(=O)c1ccc(C2CC2)cc1 ZINC001190467492 1367271625 /nfs/dbraw/zinc/27/16/25/1367271625.db2.gz CQIZPDSCIMBDCF-UHFFFAOYSA-N -1 0 344.440 3.188 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cccc3c2CCCC3)c1 ZINC001190647715 1367315183 /nfs/dbraw/zinc/31/51/83/1367315183.db2.gz ICCPIWCQDVVQJO-UHFFFAOYSA-N -1 0 330.384 3.377 20 30 EGEDRM COc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(C#N)ccc1F ZINC001190647978 1367315671 /nfs/dbraw/zinc/31/56/71/1367315671.db2.gz PGCNNAUOFITVMZ-UHFFFAOYSA-N -1 0 340.763 3.160 20 30 EGEDRM CCC(=O)c1cccc([N-]S(=O)(=O)c2cc(C#N)ccc2F)c1 ZINC001190657558 1367321335 /nfs/dbraw/zinc/32/13/35/1367321335.db2.gz CXMABZDVMYADQJ-UHFFFAOYSA-N -1 0 332.356 3.091 20 30 EGEDRM C=CCC1(S(=O)(=O)Nc2ccc3[n-]c(=S)sc3c2)CC1 ZINC001190806634 1367354554 /nfs/dbraw/zinc/35/45/54/1367354554.db2.gz LERNNUJAEOAIDR-UHFFFAOYSA-N -1 0 326.468 3.435 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]c2cc(F)c(Cl)cc2C(=O)OC)CC1 ZINC001190814556 1367357303 /nfs/dbraw/zinc/35/73/03/1367357303.db2.gz HFSGDZHZRCIGMY-UHFFFAOYSA-N -1 0 347.795 3.116 20 30 EGEDRM N#Cc1cccc(F)c1[N-]S(=O)(=O)Cc1ccc(Cl)cc1F ZINC001191893942 1367628281 /nfs/dbraw/zinc/62/82/81/1367628281.db2.gz OIIXYTSMLXNTMR-UHFFFAOYSA-N -1 0 342.754 3.432 20 30 EGEDRM Cc1ccc(C)c([N-]S(=O)(=O)c2cnc(Cl)cc2C)c1C#N ZINC001192369146 1367765163 /nfs/dbraw/zinc/76/51/63/1367765163.db2.gz XJPKCEPMZWWWPH-UHFFFAOYSA-N -1 0 335.816 3.333 20 30 EGEDRM C[C@H](C#N)S(=O)(=O)[N-]c1cc(OCC2CC2)cc(C(F)(F)F)c1 ZINC001193158883 1367956594 /nfs/dbraw/zinc/95/65/94/1367956594.db2.gz WEWCYODTBXBUMH-SECBINFHSA-N -1 0 348.346 3.148 20 30 EGEDRM N#Cc1cccc(C(=O)N2CCOC[C@@H]2c2ccc(Cl)cc2)c1[O-] ZINC001193646377 1368082715 /nfs/dbraw/zinc/08/27/15/1368082715.db2.gz INPCOWPSHLQFET-MRXNPFEDSA-N -1 0 342.782 3.131 20 30 EGEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cnccc2C2CCC2)c1 ZINC001193653968 1368085628 /nfs/dbraw/zinc/08/56/28/1368085628.db2.gz PJQXIVUEPRHBTN-UHFFFAOYSA-N -1 0 343.408 3.030 20 30 EGEDRM N#Cc1cccc(C(=O)Nc2ccc(Oc3cc[nH]c(=O)c3)cc2)c1[O-] ZINC001193652251 1368086096 /nfs/dbraw/zinc/08/60/96/1368086096.db2.gz AQDNTLVMHZBSRB-UHFFFAOYSA-N -1 0 347.330 3.409 20 30 EGEDRM C=CCOC(=O)Nc1c(CC(=O)[O-])cccc1C(=O)c1ccccc1 ZINC001194319265 1368229963 /nfs/dbraw/zinc/22/99/63/1368229963.db2.gz RKNJNJHDZTVWCV-UHFFFAOYSA-N -1 0 339.347 3.279 20 30 EGEDRM CC(C)c1cccc(S(=O)(=O)[N-]c2c(C#N)cnn2C(C)C)c1 ZINC001195120407 1368383044 /nfs/dbraw/zinc/38/30/44/1368383044.db2.gz MYTKQYNKMDYTJS-UHFFFAOYSA-N -1 0 332.429 3.260 20 30 EGEDRM N#Cc1ccc(F)c(F)c1NC(=O)c1c([O-])c(F)c(F)c(F)c1F ZINC001195302958 1368417089 /nfs/dbraw/zinc/41/70/89/1368417089.db2.gz QCLNUKZXMVZUDA-UHFFFAOYSA-N -1 0 346.186 3.351 20 30 EGEDRM C=C(C)c1ccccc1[N-]S(=O)(=O)c1cnccc1C(=O)OCC ZINC001195637171 1368463048 /nfs/dbraw/zinc/46/30/48/1368463048.db2.gz FISGXTGCENKMMM-UHFFFAOYSA-N -1 0 346.408 3.092 20 30 EGEDRM N#Cc1cnoc1[N-]S(=O)(=O)c1ccc2cc(Cl)ccc2c1 ZINC001196414960 1368610970 /nfs/dbraw/zinc/61/09/70/1368610970.db2.gz WPCJDHLTJTXCGD-UHFFFAOYSA-N -1 0 333.756 3.154 20 30 EGEDRM COc1ccc(C#N)cc1NC(=S)Nc1ccc(C(=O)[O-])cc1 ZINC001197111841 1368746171 /nfs/dbraw/zinc/74/61/71/1368746171.db2.gz DOXOLYOWBHEQLR-UHFFFAOYSA-N -1 0 327.365 3.074 20 30 EGEDRM COc1ccc(C#N)c(NC(=S)Nc2ccc(C(=O)[O-])cc2)c1 ZINC001197112984 1368747639 /nfs/dbraw/zinc/74/76/39/1368747639.db2.gz LRIAJUFNWVWINL-UHFFFAOYSA-N -1 0 327.365 3.074 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)n2)c(F)c1Cl ZINC001198233657 1368985325 /nfs/dbraw/zinc/98/53/25/1368985325.db2.gz OYPQHDQEBVKUFZ-UHFFFAOYSA-N -1 0 346.170 3.200 20 30 EGEDRM N#Cc1cc(NC(=O)c2ccncc2N2CCCCC2)c([O-])cc1F ZINC001199362894 1369212918 /nfs/dbraw/zinc/21/29/18/1369212918.db2.gz FTBZCZZPGYBDLL-UHFFFAOYSA-N -1 0 340.358 3.041 20 30 EGEDRM CCCCCCCCCCCCNC(=S)NCS(=O)(=O)[O-] ZINC001200507186 1369382840 /nfs/dbraw/zinc/38/28/40/1369382840.db2.gz QUUFCEBIRLIKGV-UHFFFAOYSA-N -1 0 338.539 3.217 20 30 EGEDRM COc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2C#N)ccc1F ZINC001200510390 1369383778 /nfs/dbraw/zinc/38/37/78/1369383778.db2.gz YSOWILUGAMMNGS-UHFFFAOYSA-N -1 0 340.763 3.160 20 30 EGEDRM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2cncc(C#N)c2)c(C)c1C ZINC001201792170 1369624470 /nfs/dbraw/zinc/62/44/70/1369624470.db2.gz WHAFXSDALAWUSJ-UHFFFAOYSA-N -1 0 329.425 3.296 20 30 EGEDRM N#Cc1ncc(Nc2ccc(S(=O)(=O)[O-])c3ccccc23)cc1F ZINC001203060021 1369970206 /nfs/dbraw/zinc/97/02/06/1369970206.db2.gz JBENQPSKKGNYSS-UHFFFAOYSA-N -1 0 343.339 3.236 20 30 EGEDRM CC(=O)c1ccc(F)c(-c2noc(CCC(=O)C3=CC=C[CH]3)n2)c1 ZINC001204656249 1370537973 /nfs/dbraw/zinc/53/79/73/1370537973.db2.gz GZCNXRRVXQXUPU-UHFFFAOYSA-N -1 0 325.319 3.280 20 30 EGEDRM COc1ccc(Nc2nc(C(F)(F)F)ccc2C#N)cc1C(=O)[O-] ZINC001209900401 1372227380 /nfs/dbraw/zinc/22/73/80/1372227380.db2.gz DBPUTUKMWZRBMB-UHFFFAOYSA-N -1 0 337.257 3.422 20 30 EGEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1cc(-c2ccccc2)ccn1 ZINC001122471934 1372254653 /nfs/dbraw/zinc/25/46/53/1372254653.db2.gz RVDNJBMDSYJKFY-QGZVFWFLSA-N -1 0 333.391 3.130 20 30 EGEDRM Cc1cccnc1Oc1ccc(C([O-])=C(C#N)C(=O)N2CCCC2)cc1 ZINC001122534595 1372268297 /nfs/dbraw/zinc/26/82/97/1372268297.db2.gz ZVYUAXKCKYLSAL-KRWDZBQOSA-N -1 0 349.390 3.127 20 30 EGEDRM N#Cc1cncc(Nc2ccc3ccccc3c2S(=O)(=O)[O-])c1 ZINC001210089246 1372269426 /nfs/dbraw/zinc/26/94/26/1372269426.db2.gz LUBUFRKRJFJMQN-UHFFFAOYSA-N -1 0 325.349 3.097 20 30 EGEDRM CC(C)Cc1ncc(C([O-])=C(C#N)c2nnc3n2CCCCC3)s1 ZINC001122601710 1372282326 /nfs/dbraw/zinc/28/23/26/1372282326.db2.gz JBFLKQCFJAOPDS-LBPRGKRZSA-N -1 0 343.456 3.150 20 30 EGEDRM Cc1ccc2[nH]c(C([O-])=C(C#N)C(=O)N3CCCC3)c(Cl)c2c1 ZINC001122625673 1372286053 /nfs/dbraw/zinc/28/60/53/1372286053.db2.gz UVGIINMFOHIRGL-LBPRGKRZSA-N -1 0 329.787 3.075 20 30 EGEDRM COc1ccc(C(=O)[O-])cc1Nc1c(C#N)cnnc1-c1ccccc1 ZINC001210254660 1372306731 /nfs/dbraw/zinc/30/67/31/1372306731.db2.gz RDPHZGPXLCOPFA-UHFFFAOYSA-N -1 0 346.346 3.466 20 30 EGEDRM CCOC(=O)c1c(C)oc(Nc2cc(C(=O)[O-])ccc2OC)c1C#N ZINC001210254182 1372306938 /nfs/dbraw/zinc/30/69/38/1372306938.db2.gz IGBHLQZABHIKSN-UHFFFAOYSA-N -1 0 344.323 3.087 20 30 EGEDRM C=CCn1cnc2c1ncnc2Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001211963091 1372641253 /nfs/dbraw/zinc/64/12/53/1372641253.db2.gz WOEXVRPTSXYPKI-UHFFFAOYSA-N -1 0 329.747 3.108 20 30 EGEDRM C#Cc1cc(Nc2ccc(NC(=O)CCC(=O)[O-])cc2)ccc1F ZINC001213189971 1372856115 /nfs/dbraw/zinc/85/61/15/1372856115.db2.gz PMCUSDGSNRAGDI-UHFFFAOYSA-N -1 0 326.327 3.354 20 30 EGEDRM N#Cc1ccc(Nc2ccc(S(=O)(=O)[O-])c3ccccc23)c(N)c1 ZINC001213360956 1372892221 /nfs/dbraw/zinc/89/22/21/1372892221.db2.gz ADAMVDAHFJMFEH-UHFFFAOYSA-N -1 0 339.376 3.284 20 30 EGEDRM N#Cc1ccc(-c2noc(-c3ccc([O-])c(C(F)(F)F)c3)n2)nc1 ZINC001216485057 1373310721 /nfs/dbraw/zinc/31/07/21/1373310721.db2.gz BMPUAWRRSPFNIJ-UHFFFAOYSA-N -1 0 332.241 3.395 20 30 EGEDRM COC(=O)c1ccc([O-])c(-c2nc(-c3ccc(C#N)c(C)c3)no2)c1 ZINC001216911832 1373362473 /nfs/dbraw/zinc/36/24/73/1373362473.db2.gz GBJCXRDEMXFJLR-UHFFFAOYSA-N -1 0 335.319 3.076 20 30 EGEDRM COc1cc(F)c(-c2noc(-c3ccc([O-])c(C#N)c3)n2)cc1OC ZINC001216969728 1373373020 /nfs/dbraw/zinc/37/30/20/1373373020.db2.gz OSWYTBMSXUJWFR-UHFFFAOYSA-N -1 0 341.298 3.137 20 30 EGEDRM CCN1CCc2ccc(-c3noc(-c4ccc([O-])c(C#N)c4)n3)cc21 ZINC001216969665 1373373160 /nfs/dbraw/zinc/37/31/60/1373373160.db2.gz LPTLCBSLLAEQOZ-UHFFFAOYSA-N -1 0 332.363 3.363 20 30 EGEDRM N#Cc1ccc(F)c(-c2noc(-c3cc(=O)c4cccc(O)c4[n-]3)n2)c1 ZINC001217368680 1373432938 /nfs/dbraw/zinc/43/29/38/1373432938.db2.gz XAWVBXSBIIYXIH-UHFFFAOYSA-N -1 0 348.293 3.374 20 30 EGEDRM CC(C)(C)C#CC(C#CC(C)(C)C)OCCCC[P@@](=O)([O-])O ZINC001225018585 1375089483 /nfs/dbraw/zinc/08/94/83/1375089483.db2.gz BHVKIBDMOJYFQN-UHFFFAOYSA-N -1 0 328.389 3.429 20 30 EGEDRM N#Cc1cc(F)c(=O)[n-]c1O[C@H](c1ccccc1)C1CCOCC1 ZINC001226009040 1375189494 /nfs/dbraw/zinc/18/94/94/1375189494.db2.gz QSQWUTCDBBMMRE-MRXNPFEDSA-N -1 0 328.343 3.345 20 30 EGEDRM C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1ccc(O)cc1S(=O)(=O)[O-] ZINC001226413482 1375256394 /nfs/dbraw/zinc/25/63/94/1375256394.db2.gz QVQIIXOJRGTSRA-OSAQELSMSA-N -1 0 326.414 3.399 20 30 EGEDRM C=C[C@]1(C)CC[C@H](C(C)(C)Oc2n[n-]c(=O)cc2Br)O1 ZINC001226849172 1375345893 /nfs/dbraw/zinc/34/58/93/1375345893.db2.gz LWDRCESZJJXRPI-QMTHXVAHSA-N -1 0 343.221 3.226 20 30 EGEDRM C=C[C@@H](CC)Oc1cc(O)cc([O-])c1C(=O)c1ccc(O)c(O)c1 ZINC001228520127 1375585186 /nfs/dbraw/zinc/58/51/86/1375585186.db2.gz WBEXYIOZMDQTAW-LBPRGKRZSA-N -1 0 330.336 3.083 20 30 EGEDRM N#Cc1ccc(=O)[n-]c1O[C@H]1CCc2c1cccc2Br ZINC001228902553 1375709958 /nfs/dbraw/zinc/70/99/58/1375709958.db2.gz RMOCIDLWXYHZJK-ZDUSSCGKSA-N -1 0 331.169 3.488 20 30 EGEDRM C=C1O[C@H](C)C(=O)C1Oc1cc(O)ccc1C(=O)Cc1ccccc1 ZINC001229260030 1375796853 /nfs/dbraw/zinc/79/68/53/1375796853.db2.gz PTQXNJCPLBDGQM-GFCCVEGCSA-N -1 0 338.359 3.416 20 30 EGEDRM C#C[C@@H](Oc1ccc(C[C@@H]2SC(=O)[N-]C2=O)cc1)c1ccccc1 ZINC001229627019 1375868963 /nfs/dbraw/zinc/86/89/63/1375868963.db2.gz VINQCGYOKOKZIT-SJORKVTESA-N -1 0 337.400 3.334 20 30 EGEDRM N#C[C@H]1CC[C@@H](Oc2c(Cl)cc(Cl)cc2S(=O)(=O)[O-])C1 ZINC001230110779 1375944976 /nfs/dbraw/zinc/94/49/76/1375944976.db2.gz BMLADUOCTQOQHO-IONNQARKSA-N -1 0 336.196 3.311 20 30 EGEDRM COC(=O)c1ccc2c(c1)nc(=O)[n-]c2O[C@H](CC#N)c1ccccc1 ZINC001230205323 1375967116 /nfs/dbraw/zinc/96/71/16/1375967116.db2.gz RGCNFDVZUVNSMH-MRXNPFEDSA-N -1 0 349.346 3.156 20 30 EGEDRM COC(=O)c1ccc([C@@H](C)Oc2ccc(/C=N/O)cc2OC)cc1 ZINC001233801361 1376719553 /nfs/dbraw/zinc/71/95/53/1376719553.db2.gz YMPFPBJPMSRDSH-ZGXHQARYSA-N -1 0 329.352 3.430 20 30 EGEDRM N#C[C@@H]1CC[C@@H](Oc2cc(O)cc([O-])c2C(=O)c2cccc(O)c2)C1 ZINC001234165198 1376782132 /nfs/dbraw/zinc/78/21/32/1376782132.db2.gz HPTNQMNIOQAWHJ-IAQYHMDHSA-N -1 0 339.347 3.105 20 30 EGEDRM N#Cc1cc(C(F)(F)F)ccc1-c1ccc(S(=O)(=O)[O-])cc1 ZINC001238845149 1377002683 /nfs/dbraw/zinc/00/26/83/1377002683.db2.gz WSEPHCXDSJOGGP-UHFFFAOYSA-N -1 0 327.283 3.491 20 30 EGEDRM C=CCn1cnc2c1ncnc2Nc1ccc(C(=O)[O-])cc1Cl ZINC001248551613 1377069125 /nfs/dbraw/zinc/06/91/25/1377069125.db2.gz RLGSGTCZTGQOPJ-UHFFFAOYSA-N -1 0 329.747 3.108 20 30 EGEDRM N#Cc1cc(NC(=O)c2cc3ccc(Cl)nc3[nH]2)c([O-])cc1F ZINC001151754377 1379775084 /nfs/dbraw/zinc/77/50/84/1379775084.db2.gz UZOSLSAVBXSDCM-UHFFFAOYSA-N -1 0 330.706 3.185 20 30 EGEDRM N#Cc1ccc(NC(=O)c2cn3ccc(C(F)(F)F)cc3n2)c(O)c1 ZINC001153293391 1380050517 /nfs/dbraw/zinc/05/05/17/1380050517.db2.gz HSNBCYBHDNSCFV-UHFFFAOYSA-N -1 0 346.268 3.183 20 30 EGEDRM N#Cc1cc(NC(=O)c2c(O)cc3ccccc3c2O)c([O-])cc1F ZINC001154027944 1380184616 /nfs/dbraw/zinc/18/46/16/1380184616.db2.gz JVOFBSGSQITSEF-UHFFFAOYSA-N -1 0 338.294 3.220 20 30 EGEDRM CC(=O)c1cccc(NC(=O)c2cc(=O)c3cc(C#N)ccc3[n-]2)c1C ZINC001154558077 1380305478 /nfs/dbraw/zinc/30/54/78/1380305478.db2.gz WGUTUEWCGXRZQO-UHFFFAOYSA-N -1 0 345.358 3.163 20 30 EGEDRM COc1ccc(C#N)cc1NC(=O)c1ccc2ccc(C)nc2c1[O-] ZINC001155658308 1380479746 /nfs/dbraw/zinc/47/97/46/1380479746.db2.gz FBHNSFNTBOKIDB-UHFFFAOYSA-N -1 0 333.347 3.381 20 30 EGEDRM CC1(C)Cc2c(cccc2C(=O)Nc2cc(C#N)c(F)cc2[O-])O1 ZINC001155747399 1380488654 /nfs/dbraw/zinc/48/86/54/1380488654.db2.gz GWEIYQVAOIULNW-UHFFFAOYSA-N -1 0 326.327 3.369 20 30 EGEDRM Cc1c(=O)[n-]n(-c2ccccc2)c1Nc1[nH]ccc2ncc(C#N)c1-2 ZINC001163117019 1382969830 /nfs/dbraw/zinc/96/98/30/1382969830.db2.gz ZQMLKKNLJYWINL-UHFFFAOYSA-N -1 0 330.351 3.378 20 30 EGEDRM CC(C)(O)C#Cc1cccc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c1 ZINC001174505566 1385114911 /nfs/dbraw/zinc/11/49/11/1385114911.db2.gz YFFGYKWKUUGPQR-UHFFFAOYSA-N -1 0 340.335 3.159 20 30 EGEDRM C=CC[C@@H](NC(=O)c1cc2c(s1)-c1ccccc1CC2)C(=O)[O-] ZINC001321657044 1386950768 /nfs/dbraw/zinc/95/07/68/1386950768.db2.gz AWEDGEIHWANGCM-CQSZACIVSA-N -1 0 327.405 3.273 20 30 EGEDRM C=CC[C@H](NC(=O)NCC1(Cc2ccccc2)CCCC1)C(=O)[O-] ZINC001322515033 1387198886 /nfs/dbraw/zinc/19/88/86/1387198886.db2.gz ZMJJZDGQLDSLFI-INIZCTEOSA-N -1 0 330.428 3.118 20 30 EGEDRM C=CC[C@@H](NC(=O)NCCc1cccc(-c2ccccc2)c1)C(=O)[O-] ZINC001329232481 1389030556 /nfs/dbraw/zinc/03/05/56/1389030556.db2.gz RGDKEKLQXNRFLI-GOSISDBHSA-N -1 0 338.407 3.225 20 30 EGEDRM CC(=NNCC1CCOCC1)c1cc(Br)cc(F)c1[O-] ZINC001337624519 1389402077 /nfs/dbraw/zinc/40/20/77/1389402077.db2.gz IPBIZUZFXGRVRQ-UHFFFAOYSA-N -1 0 345.212 3.034 20 30 EGEDRM C[C@@H](C#N)CN(C)c1nnc(-c2cc(Cl)c([O-])c(Cl)c2)n1C ZINC001339571993 1390072142 /nfs/dbraw/zinc/07/21/42/1390072142.db2.gz CLGUYRYQLSZKSL-QMMMGPOBSA-N -1 0 340.214 3.090 20 30 EGEDRM COc1cc(/C=C/C(=O)c2cccc(OCC(=O)[O-])c2)ccc1F ZINC001341112684 1390442345 /nfs/dbraw/zinc/44/23/45/1390442345.db2.gz ROLWJDZSEAYXRY-SOFGYWHQSA-N -1 0 330.311 3.194 20 30 EGEDRM C=CCC[C@H]1CCCN1c1nnc(-c2ccc([N+](=O)[O-])c([O-])c2)n1C ZINC001341370720 1390477555 /nfs/dbraw/zinc/47/75/55/1390477555.db2.gz BSZSABXLFWWRHL-ZDUSSCGKSA-N -1 0 343.387 3.031 20 30 EGEDRM CC(C)c1cc(C([O-])=C(C#N)c2nccn2C)nn1-c1ccccc1 ZINC001342268730 1390593632 /nfs/dbraw/zinc/59/36/32/1390593632.db2.gz QBCRWVXGTZBZEG-HNNXBMFYSA-N -1 0 333.395 3.219 20 30 EGEDRM N#CC(=C([O-])c1nc(-c2ccccc2)oc1C1CC1)c1ccncn1 ZINC001342582243 1390629176 /nfs/dbraw/zinc/62/91/76/1390629176.db2.gz VQRZWQDWESIHRY-CQSZACIVSA-N -1 0 330.347 3.499 20 30 EGEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1cccc2c1OCC2)c1ccccc1 ZINC001344580539 1390800963 /nfs/dbraw/zinc/80/09/63/1390800963.db2.gz RZOOMRWREDPUJA-ROUUACIJSA-N -1 0 348.402 3.211 20 30 EGEDRM C=CC[C@@H](NC(=O)C(C)(C)c1ccc(OC(F)(F)F)cc1)C(=O)[O-] ZINC001347840106 1391132949 /nfs/dbraw/zinc/13/29/49/1391132949.db2.gz NWFQCWDPGYQEFW-GFCCVEGCSA-N -1 0 345.317 3.008 20 30 EGEDRM N#Cc1ccc2nc(NCc3cc(-c4nnn[n-]4)ccc3F)ccc2c1 ZINC000826386901 1429177528 /nfs/dbraw/zinc/17/75/28/1429177528.db2.gz XTGLYUFIMGUNBM-UHFFFAOYSA-N -1 0 345.341 3.038 20 30 EGEDRM O=C1C(=Cc2nc(Cl)cs2)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000826477094 1429407536 /nfs/dbraw/zinc/40/75/36/1429407536.db2.gz VNVXTHZASUNNRX-TWGQIWQCSA-N -1 0 343.799 3.189 20 30 EGEDRM CC(=NNc1ccc(F)cc1F)c1ccc(-c2nn[n-]n2)cc1F ZINC000823958142 1424408688 /nfs/dbraw/zinc/40/86/88/1424408688.db2.gz DXXUXOIMKBIUJV-UHFFFAOYSA-N -1 0 332.289 3.120 20 30 EGEDRM C[C@H](Nc1c(F)cc(C#N)cc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000820450195 1425223066 /nfs/dbraw/zinc/22/30/66/1425223066.db2.gz HVXMFPHNCHCMDV-VIFPVBQESA-N -1 0 326.310 3.190 20 30 EGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@@H](C)CC(C)C ZINC000735418765 1426871464 /nfs/dbraw/zinc/87/14/64/1426871464.db2.gz JCHRNWCMDHLJSE-HNNXBMFYSA-N -1 0 341.459 3.454 20 30 EGEDRM CCSCCCN=Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000825674640 1427848047 /nfs/dbraw/zinc/84/80/47/1427848047.db2.gz PEFHONLEYRYERR-UHFFFAOYSA-N -1 0 344.366 3.426 20 30 EGEDRM COc1cc(C)ccc1C(=O)C=Cc1ccc(-c2nn[n-]n2)s1 ZINC000821707917 1430082433 /nfs/dbraw/zinc/08/24/33/1430082433.db2.gz HRDFTRSBSKAFJT-DAXSKMNVSA-N -1 0 326.381 3.141 20 30 EGEDRM CCOc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000825649076 1441463548 /nfs/dbraw/zinc/46/35/48/1441463548.db2.gz KQJBKJBBODHUGQ-RMKNXTFCSA-N -1 0 338.342 3.301 20 30 EGEDRM C=CCC(CC=C)C(=O)Oc1c(Cl)cc(-c2nn[n-]n2)cc1OC ZINC000819735051 1441566936 /nfs/dbraw/zinc/56/69/36/1441566936.db2.gz ZMYMEYPAOVFJHQ-UHFFFAOYSA-N -1 0 348.790 3.203 20 30 EGEDRM CCCCCCCCC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000736447865 1441665223 /nfs/dbraw/zinc/66/52/23/1441665223.db2.gz JFPOWMSIWDXJTE-UHFFFAOYSA-N -1 0 326.404 3.427 20 30 EGEDRM Clc1cc(-c2nn[n-]n2)cc(N=NC=CCc2ccccc2)n1 ZINC000826350142 1441825605 /nfs/dbraw/zinc/82/56/05/1441825605.db2.gz JVHHQZIJEUPALV-KHBCHNJMSA-N -1 0 325.763 3.026 20 30 EGEDRM Clc1cc(-c2nn[n-]n2)cc(NN=Cc2ccccc2Cl)n1 ZINC000826350126 1441854863 /nfs/dbraw/zinc/85/48/63/1441854863.db2.gz JLZWURWITBHXMQ-UHFFFAOYSA-N -1 0 334.170 3.015 20 30 EGEDRM Fc1ccc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)c(F)c1 ZINC000826374018 1442091674 /nfs/dbraw/zinc/09/16/74/1442091674.db2.gz IIKMRWRJBLWLKZ-UHFFFAOYSA-N -1 0 334.717 3.244 20 30 EGEDRM COc1cc(C)c(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000826177482 1443306878 /nfs/dbraw/zinc/30/68/78/1443306878.db2.gz KHTBQNCPOZYUEQ-RMKNXTFCSA-N -1 0 334.379 3.388 20 30 EGEDRM C[C@@]1(C#N)CCCN(c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)C1 ZINC000824776545 1443427809 /nfs/dbraw/zinc/42/78/09/1443427809.db2.gz CJCXBQVLHCWHRE-AWEZNQCLSA-N -1 0 336.321 3.016 20 30 EGEDRM N#CCOc1ccc(COc2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC000822814246 1443459025 /nfs/dbraw/zinc/45/90/25/1443459025.db2.gz CZJXWUOKMVKIGC-UHFFFAOYSA-N -1 0 341.758 3.001 20 30 EGEDRM C(=NNCc1ccc(-c2ccccc2)cc1)c1ccc(-c2nn[n-]n2)o1 ZINC000819718455 1443649913 /nfs/dbraw/zinc/64/99/13/1443649913.db2.gz HUOIPWMCKKDKDR-UHFFFAOYSA-N -1 0 344.378 3.250 20 30 EGEDRM CCCn1nc(C)c(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)c1C ZINC000825362517 1443667058 /nfs/dbraw/zinc/66/70/58/1443667058.db2.gz NGXVKYMAGHXWPC-WAYWQWQTSA-N -1 0 342.428 3.048 20 30 EGEDRM CC(CCC(F)(F)F)N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC000824401272 1446085930 /nfs/dbraw/zinc/08/59/30/1446085930.db2.gz PFTHKUWOAJJLQZ-UHFFFAOYSA-N -1 0 345.329 3.283 20 30 EGEDRM C#CC[C@H](NC(=O)Nc1cc(-c2nn[n-]n2)ccc1C)c1ccccc1 ZINC000823838431 1446250294 /nfs/dbraw/zinc/25/02/94/1446250294.db2.gz QGKXMUJHNTVTKJ-INIZCTEOSA-N -1 0 346.394 3.061 20 30 EGEDRM CC(C)c1nc(-c2nn[n-]n2)c(N=NC[C@H]2C[C@@H]2c2ccccc2)o1 ZINC000824352437 1446956350 /nfs/dbraw/zinc/95/63/50/1446956350.db2.gz DGDPARVFQNFPCB-CHWSQXEVSA-N -1 0 337.387 3.180 20 30 EGEDRM Cc1cccc(C)c1CN=Nc1oc(CC(C)C)nc1-c1nn[n-]n1 ZINC000826296816 1447016493 /nfs/dbraw/zinc/01/64/93/1447016493.db2.gz JVMPJMJQHVNDNP-UHFFFAOYSA-N -1 0 339.403 3.116 20 30 EGEDRM CCC(=NNc1ccc(-c2nn[n-]n2)cc1)c1ccc2c(c1)CCCO2 ZINC000825029625 1447016933 /nfs/dbraw/zinc/01/69/33/1447016933.db2.gz XTSOVKNISIVHEM-UHFFFAOYSA-N -1 0 348.410 3.418 20 30 EGEDRM Cc1ccc2oc(C(=O)Nc3ccc(-c4nn[n-]n4)c(C#N)c3)cc2c1 ZINC000737373431 1447026931 /nfs/dbraw/zinc/02/69/31/1447026931.db2.gz HGKPJLPUWWTPPI-UHFFFAOYSA-N -1 0 344.334 3.045 20 30 EGEDRM C=CCCO[C@@H](C)C(=O)N[C@@](CC)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000262165958 939061247 /nfs/dbraw/zinc/06/12/47/939061247.db2.gz QCJZMDLKGUSPOZ-YVEFUNNKSA-N -1 0 339.819 3.127 20 30 EGEDRM CCCCCCCC(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000864176270 939255556 /nfs/dbraw/zinc/25/55/56/939255556.db2.gz XYKQDCIKMULKBD-QGZVFWFLSA-N -1 0 336.388 3.371 20 30 EGEDRM C=C(C)CCNC(=O)N[C@@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000909030415 939372455 /nfs/dbraw/zinc/37/24/55/939372455.db2.gz JKSSZQMDXQVREX-GFCCVEGCSA-N -1 0 330.306 3.097 20 30 EGEDRM C=C(C)CCC(=O)N[C@H](C(=O)[O-])c1ccc(Br)cc1 ZINC001123264725 939817057 /nfs/dbraw/zinc/81/70/57/939817057.db2.gz SVBRJPZPRRZKLJ-ZDUSSCGKSA-N -1 0 326.190 3.047 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=S)Nc1ccccc1Oc1ccccc1 ZINC001602695291 971306281 /nfs/dbraw/zinc/30/62/81/971306281.db2.gz BYYDAFYVFJBQDD-UHFFFAOYSA-N -1 0 340.404 3.196 20 30 EGEDRM C=CC[C@H](Cc1ccccc1)NC(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001602718399 971374433 /nfs/dbraw/zinc/37/44/33/971374433.db2.gz LOKQAMYEJYLUQB-CQSZACIVSA-N -1 0 325.368 3.089 20 30 EGEDRM C[C@@H](C(=O)[O-])C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 ZINC001602795730 971558317 /nfs/dbraw/zinc/55/83/17/971558317.db2.gz NGNQGQOKXOZREH-SVRRBLITSA-N -1 0 342.298 3.212 20 30 EGEDRM CCCC[C@H](ON=C(C)C)C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001589639934 949675122 /nfs/dbraw/zinc/67/51/22/949675122.db2.gz PZMJQFHIDPMYOX-IKGGRYGDSA-N -1 0 346.427 3.387 20 30 EGEDRM C[C@@H](C(=O)[O-])N(C(=O)c1cn(CCCC#N)c2ccccc12)C1CC1 ZINC001602819700 971620000 /nfs/dbraw/zinc/62/00/00/971620000.db2.gz FAUUSWQGVJKZAN-ZDUSSCGKSA-N -1 0 339.395 3.023 20 30 EGEDRM CCc1ccc(C#CC(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC001593633822 953597377 /nfs/dbraw/zinc/59/73/77/953597377.db2.gz QRONWEHHTHDUJI-RTBURBONSA-N -1 0 333.387 3.030 20 30 EGEDRM C[C@H]1CCCN(CC#Cc2ccc(OC(F)(F)F)cc2)[C@@H]1C(=O)[O-] ZINC001589327940 953928352 /nfs/dbraw/zinc/92/83/52/953928352.db2.gz LNZAMPMOTGCSIF-WFASDCNBSA-N -1 0 341.329 3.122 20 30 EGEDRM O=C([O-])[C@@H](C(=O)Nc1cccc(C#Cc2ccccn2)c1)C1CCCC1 ZINC001594838214 954047126 /nfs/dbraw/zinc/04/71/26/954047126.db2.gz VXBRFIIJQHYLAF-LJQANCHMSA-N -1 0 348.402 3.311 20 30 EGEDRM N#CC1(CNC(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)CCCCC1 ZINC001594603598 956156570 /nfs/dbraw/zinc/15/65/70/956156570.db2.gz GHLMRGCEUPNCJB-HOTGVXAUSA-N -1 0 341.411 3.073 20 30 EGEDRM N#CCCc1ccc(NC(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)cc1 ZINC001594610437 956204125 /nfs/dbraw/zinc/20/41/25/956204125.db2.gz SVMUYCMWPWPLAN-SFHVURJKSA-N -1 0 349.390 3.359 20 30 EGEDRM N#CCSc1cccc(C(=O)N2CCCC[C@H]2CCC(=O)[O-])c1 ZINC001594610940 956207552 /nfs/dbraw/zinc/20/75/52/956207552.db2.gz DFBQJYZSPLNLJD-AWEZNQCLSA-N -1 0 332.425 3.162 20 30 EGEDRM N#CCSc1cccc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)c1 ZINC001594610994 956209061 /nfs/dbraw/zinc/20/90/61/956209061.db2.gz FGKWAAQSXRPILX-ZDUSSCGKSA-N -1 0 332.425 3.019 20 30 EGEDRM N#Cc1ccc(Cl)c(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)c1 ZINC001594619519 956267969 /nfs/dbraw/zinc/26/79/69/956267969.db2.gz DUPWFHYPTGBVNR-UGFHNGPFSA-N -1 0 332.787 3.070 20 30 EGEDRM N#Cc1ccccc1NC(=S)Nc1cccc(CCC(=O)[O-])c1 ZINC001594631736 956346127 /nfs/dbraw/zinc/34/61/27/956346127.db2.gz GXHQPXLLLVOMRS-UHFFFAOYSA-N -1 0 325.393 3.384 20 30 EGEDRM N#Cc1cnc(Oc2ccc(CC(=O)[O-])cc2)c(Br)c1 ZINC001594632901 956355853 /nfs/dbraw/zinc/35/58/53/956355853.db2.gz HXMCJFRRTRYAFK-UHFFFAOYSA-N -1 0 333.141 3.135 20 30 EGEDRM C=CCn1c(C)cc(C(=O)CSc2ncccc2C(=O)[O-])c1C ZINC000013188818 956975423 /nfs/dbraw/zinc/97/54/23/956975423.db2.gz RDIYBMZUKWEMHC-UHFFFAOYSA-N -1 0 330.409 3.359 20 30 EGEDRM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccc(C(=O)[O-])cc1 ZINC000911746218 957090002 /nfs/dbraw/zinc/09/00/02/957090002.db2.gz FZKRVDQKSLECBK-UHFFFAOYSA-N -1 0 341.411 3.381 20 30 EGEDRM Cc1cc(C(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)ncc1C#N ZINC001594281462 957748882 /nfs/dbraw/zinc/74/88/82/957748882.db2.gz OYKACRWKLDGVJF-UHFFFAOYSA-N -1 0 341.392 3.153 20 30 EGEDRM C[C@@H](NC(=O)N1CCCC[C@@H]1CCC(=O)[O-])c1ccc(C#N)cc1 ZINC001341244068 957957562 /nfs/dbraw/zinc/95/75/62/957957562.db2.gz LBZCVLLMJGRTDS-CZUORRHYSA-N -1 0 329.400 3.048 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)Nc1cccc(CSC2CCCC2)c1 ZINC001588412753 958153382 /nfs/dbraw/zinc/15/33/82/958153382.db2.gz JGZWPVCXFNSTLS-UHFFFAOYSA-N -1 0 346.452 3.414 20 30 EGEDRM Cc1ccc(C#N)cc1NC(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001594342779 958308700 /nfs/dbraw/zinc/30/87/00/958308700.db2.gz VGZKFJUZFOOEFN-NVXWUHKLSA-N -1 0 335.363 3.301 20 30 EGEDRM C=CC[C@@H](Cc1ccccc1)NC(=O)C1(C(=O)[O-])C(C)(C)C1(C)C ZINC001588452952 958430210 /nfs/dbraw/zinc/43/02/10/958430210.db2.gz MKEUKJGHPADKRV-HNNXBMFYSA-N -1 0 329.440 3.427 20 30 EGEDRM C#CCN(C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)[C@H]1CCCc2ccccc21 ZINC001573319347 958471455 /nfs/dbraw/zinc/47/14/55/958471455.db2.gz WZPCWLYUROTOOQ-JZXOWHBKSA-N -1 0 325.408 3.027 20 30 EGEDRM C=CCN(C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl)[C@H](C)COC ZINC001573329040 958504701 /nfs/dbraw/zinc/50/47/01/958504701.db2.gz VTHZDGPTCAIFMA-SECBINFHSA-N -1 0 344.770 3.232 20 30 EGEDRM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001573329910 958513661 /nfs/dbraw/zinc/51/36/61/958513661.db2.gz PSEUJLACUIAFBC-RMHZUWNSSA-N -1 0 326.396 3.192 20 30 EGEDRM C=CCOc1ccc(COC(=O)c2coc(/C=C\C(=O)[O-])c2)cc1 ZINC001588469822 958520080 /nfs/dbraw/zinc/52/00/80/958520080.db2.gz WBDZZUBNJZLUPI-FPLPWBNLSA-N -1 0 328.320 3.299 20 30 EGEDRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)c1cn(CCCC#N)c2ccccc12 ZINC001594218206 959349549 /nfs/dbraw/zinc/34/95/49/959349549.db2.gz ICCLZUDWAAMBAL-CXAGYDPISA-N -1 0 339.395 3.023 20 30 EGEDRM Cc1c(C)n(-c2ccccc2)c(NC(=O)CCCC(=O)[O-])c1C#N ZINC001574298858 960716795 /nfs/dbraw/zinc/71/67/95/960716795.db2.gz QDYXXBYDYOMIBN-UHFFFAOYSA-N -1 0 325.368 3.159 20 30 EGEDRM C=CCO[C@H]1CCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C1 ZINC001326547381 961107342 /nfs/dbraw/zinc/10/73/42/961107342.db2.gz NIVZIAQVARFWJE-SMDDNHRTSA-N -1 0 330.211 3.396 20 30 EGEDRM Cc1cccc(C(=O)[O-])c1NC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC001574389016 961152836 /nfs/dbraw/zinc/15/28/36/961152836.db2.gz IBWFNWPSUOGJAE-UHFFFAOYSA-N -1 0 347.330 3.472 20 30 EGEDRM CC(C)[C@H](C(=O)[O-])C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC001588809343 961511467 /nfs/dbraw/zinc/51/14/67/961511467.db2.gz MQMQWKVFRYJAPC-INIZCTEOSA-N -1 0 339.351 3.041 20 30 EGEDRM CC(C)CCOc1ccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])cc1F ZINC001588868106 962038202 /nfs/dbraw/zinc/03/82/02/962038202.db2.gz VYWOGMFJVCOBCD-KRWDZBQOSA-N -1 0 336.363 3.194 20 30 EGEDRM C[C@@H](NC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1)c1ccc(C#N)cc1 ZINC001341353037 962131358 /nfs/dbraw/zinc/13/13/58/962131358.db2.gz JJETWZJTUVFWMN-ACJLOTCBSA-N -1 0 349.390 3.013 20 30 EGEDRM C=CCOC[C@H](NC(=O)C[C@H](C)c1ccc(C(C)C)cc1)C(=O)[O-] ZINC000263113185 962265881 /nfs/dbraw/zinc/26/58/81/962265881.db2.gz UVEQFDMOKQLRTB-YOEHRIQHSA-N -1 0 333.428 3.076 20 30 EGEDRM C[C@@H](NC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1)c1cccc(C#N)c1 ZINC001353128237 962652939 /nfs/dbraw/zinc/65/29/39/962652939.db2.gz WCJCQZHHMOANKA-FZKQIMNGSA-N -1 0 349.390 3.013 20 30 EGEDRM C#CCO[C@@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1C(=O)[O-] ZINC001573310924 962690382 /nfs/dbraw/zinc/69/03/82/962690382.db2.gz FGDABUMALVGXKR-ZDUSSCGKSA-N -1 0 339.347 3.154 20 30 EGEDRM C#CCOc1cccc(OC(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC001573311863 962715273 /nfs/dbraw/zinc/71/52/73/962715273.db2.gz IPJMBHQVEOBUQT-UHFFFAOYSA-N -1 0 330.723 3.269 20 30 EGEDRM C=C(C)[C@@H](NC(=O)Cc1ccc(C(=O)[O-])nc1)c1ccc(F)c(F)c1 ZINC001573322020 962764090 /nfs/dbraw/zinc/76/40/90/962764090.db2.gz TXIDRXFPMXBVGQ-QGZVFWFLSA-N -1 0 346.333 3.034 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)c1ccc(N(CC)CCCC)cc1)C(=O)[O-] ZINC001573322035 962764256 /nfs/dbraw/zinc/76/42/56/962764256.db2.gz UJQLDTJHCNTYPK-QGZVFWFLSA-N -1 0 332.444 3.462 20 30 EGEDRM C=CCCO[C@H](C)C(=O)Oc1c(CC=C)cc(C(=O)[O-])cc1OC ZINC001573360006 963031069 /nfs/dbraw/zinc/03/10/69/963031069.db2.gz CKZYNYZZTMZXQL-GFCCVEGCSA-N -1 0 334.368 3.009 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1cc2c(ccnc2Cl)s1)C(=O)[O-] ZINC001573365319 963053679 /nfs/dbraw/zinc/05/36/79/963053679.db2.gz FGKRPAYQWNICSK-SNVBAGLBSA-N -1 0 338.816 3.489 20 30 EGEDRM C=CCCCCCN(C)C(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC001573367442 963065529 /nfs/dbraw/zinc/06/55/29/963065529.db2.gz VZMSLZKMVJJBEV-UHFFFAOYSA-N -1 0 325.434 3.370 20 30 EGEDRM C=CCCC[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])o1)c1ccccc1 ZINC001573367437 963065742 /nfs/dbraw/zinc/06/57/42/963065742.db2.gz VVXXVDOYGFTTGC-AWEZNQCLSA-N -1 0 349.408 3.354 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1ccc(Br)c(C)c1)C(=O)[O-] ZINC001573367502 963067067 /nfs/dbraw/zinc/06/70/67/963067067.db2.gz XDGJDPPDACHVIP-ZDUSSCGKSA-N -1 0 340.217 3.297 20 30 EGEDRM C=CCN(Cc1ccc(OC)cc1)Cc1ccccc1OCC(=O)[O-] ZINC001573368555 963081949 /nfs/dbraw/zinc/08/19/49/963081949.db2.gz NXCKLWJQJZKWIK-UHFFFAOYSA-N -1 0 341.407 3.347 20 30 EGEDRM C#Cc1ccc([C@@H](OC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C(F)(F)F)cc1 ZINC001588439483 964029683 /nfs/dbraw/zinc/02/96/83/964029683.db2.gz WXEZZKQDZHJUAG-HZSPNIEDSA-N -1 0 340.297 3.315 20 30 EGEDRM C=C(C)Cn1c(-c2ccc(C)cc2)nnc1N1CCC(C(=O)[O-])CC1 ZINC001588441376 964051188 /nfs/dbraw/zinc/05/11/88/964051188.db2.gz BRXRREQJCMFWOE-UHFFFAOYSA-N -1 0 340.427 3.131 20 30 EGEDRM C=CCC1(NC(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)CCCC1 ZINC001339958269 969742426 /nfs/dbraw/zinc/74/24/26/969742426.db2.gz JEYMBGNJYYCWOU-HZPDHXFCSA-N -1 0 328.412 3.488 20 30 EGEDRM C[C@H](C(=O)[O-])c1noc(-c2ccc(OCc3ccccc3C#N)cc2)n1 ZINC001609718052 970495206 /nfs/dbraw/zinc/49/52/06/970495206.db2.gz IXMFWXUGNWDHJQ-LBPRGKRZSA-N -1 0 349.346 3.375 20 30 EGEDRM Cc1c2cc(C#N)ccc2sc1C(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC001605074668 972703093 /nfs/dbraw/zinc/70/30/93/972703093.db2.gz WKSHXACPNKNBAF-GXFFZTMASA-N -1 0 342.420 3.264 20 30 EGEDRM Cc1cc(C#N)cc(C)c1CC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-] ZINC001605102110 972757055 /nfs/dbraw/zinc/75/70/55/972757055.db2.gz NKAFYJIIRQROOP-MRXNPFEDSA-N -1 0 330.428 3.113 20 30 EGEDRM Cc1cc(N(CCC#N)C(=O)CSCCC(=O)[O-])ccc1Cl ZINC001605186844 972901592 /nfs/dbraw/zinc/90/15/92/972901592.db2.gz IMVXERZHGZXVHA-UHFFFAOYSA-N -1 0 340.832 3.103 20 30 EGEDRM Cc1cc(N2CCCCCC2)ccc1NC(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC001605195105 972924105 /nfs/dbraw/zinc/92/41/05/972924105.db2.gz ZPGPLQFFCKRPNM-LJQANCHMSA-N -1 0 343.427 3.319 20 30 EGEDRM C[C@H]1CN(C(=O)Nc2ccc(C#N)cc2C2CC2)CC[C@@H]1C(=O)[O-] ZINC001603450085 973245662 /nfs/dbraw/zinc/24/56/62/973245662.db2.gz MJCHPCFESHMUQM-FZMZJTMJSA-N -1 0 327.384 3.010 20 30 EGEDRM N#Cc1ccc(F)c(NC(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC001605611228 973916054 /nfs/dbraw/zinc/91/60/54/973916054.db2.gz LYFRNLJTMYZYSF-UKRRQHHQSA-N -1 0 339.326 3.132 20 30 EGEDRM CC(C)Oc1ccc(NC(=S)NN=C2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC001591788533 975974377 /nfs/dbraw/zinc/97/43/77/975974377.db2.gz MUVUSXZCEHPJMN-GFCCVEGCSA-N -1 0 349.456 3.391 20 30 EGEDRM CC(C)c1ccccc1NC(=O)CON=Cc1ccc(C(=O)[O-])cc1 ZINC001591993933 976625576 /nfs/dbraw/zinc/62/55/76/976625576.db2.gz BEKGUUUPSYVLNT-UHFFFAOYSA-N -1 0 340.379 3.497 20 30 EGEDRM N#Cc1ccc(Br)cc1N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC000701492008 977019729 /nfs/dbraw/zinc/01/97/29/977019729.db2.gz CSEKSACQTQLZHV-NHYWBVRUSA-N -1 0 335.201 3.012 20 30 EGEDRM CCCOc1ccc2c(c1)C(N=Nc1ccc(C(=O)[O-])cn1)CCO2 ZINC000763369056 978721305 /nfs/dbraw/zinc/72/13/05/978721305.db2.gz FMQIYYGQKPUQQX-UHFFFAOYSA-N -1 0 341.367 3.167 20 30 EGEDRM CC1(C)OCc2cc(C=NNc3ccccc3C(=O)[O-])ccc2O1 ZINC000766016400 978723947 /nfs/dbraw/zinc/72/39/47/978723947.db2.gz VMYLPJNSXBOBJM-UHFFFAOYSA-N -1 0 326.352 3.476 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1NN=Cc1ccn(-c2ccccc2)n1 ZINC000766717259 978724367 /nfs/dbraw/zinc/72/43/67/978724367.db2.gz VUNLGRFZIQISAF-UHFFFAOYSA-N -1 0 336.351 3.025 20 30 EGEDRM COC(=O)c1ccc(NN=Cc2ccc(C(=O)[O-])cc2)cc1Cl ZINC000782239119 978792387 /nfs/dbraw/zinc/79/23/87/978792387.db2.gz VPWWCUMGPGMTKJ-UHFFFAOYSA-N -1 0 332.743 3.271 20 30 EGEDRM CCc1cnccc1C(=O)/C=C/c1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000794699932 978817522 /nfs/dbraw/zinc/81/75/22/978817522.db2.gz DGSRHVKRTASLQR-PPGNKHEKSA-N -1 0 325.364 3.392 20 30 EGEDRM Cc1cccc(NC(=S)NN=C2CC[C@@H](CC(=O)[O-])[C@@H]2C)c1C ZINC000814706791 978875196 /nfs/dbraw/zinc/87/51/96/978875196.db2.gz FUSJLHRNXLVWQQ-STQMWFEESA-N -1 0 333.457 3.467 20 30 EGEDRM COc1cccc(NC(=S)NN=C(C)c2cc(C(=O)[O-])cs2)c1 ZINC000814719919 978876047 /nfs/dbraw/zinc/87/60/47/978876047.db2.gz FYZLIFRQQHABGK-UHFFFAOYSA-N -1 0 349.437 3.166 20 30 EGEDRM O=C([O-])CN(Cc1ccc(C(F)(F)F)cc1)CC(F)(F)C(F)F ZINC000846267665 979435336 /nfs/dbraw/zinc/43/53/36/979435336.db2.gz CDJXYCSTNOTKEP-UHFFFAOYSA-N -1 0 347.230 3.492 20 30 EGEDRM O=C([O-])Cc1ccc(NN=Cc2cnc([C@@H]3CCCO3)s2)cc1 ZINC000848415261 979468407 /nfs/dbraw/zinc/46/84/07/979468407.db2.gz KXLFGJXBQRNZHG-AWEZNQCLSA-N -1 0 331.397 3.068 20 30 EGEDRM C[C@H](CSc1c(C#N)cnc2c(F)c(F)c(F)cc21)C(=O)[O-] ZINC001592830413 979554709 /nfs/dbraw/zinc/55/47/09/979554709.db2.gz RPNFQJIOCQOVHK-ZCFIWIBFSA-N -1 0 326.299 3.337 20 30 EGEDRM C[C@@H](Cc1ccc(Nc2ccc(C#N)cc2[N+](=O)[O-])cc1)C(=O)[O-] ZINC001592882533 979752564 /nfs/dbraw/zinc/75/25/64/979752564.db2.gz FVJMDWBKQMUIEU-NSHDSACASA-N -1 0 325.324 3.473 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)C(F)(F)c1ccccc1OC(C)C)C(=O)[O-] ZINC000864187533 979834080 /nfs/dbraw/zinc/83/40/80/979834080.db2.gz MTRMAOSEWTXPNV-CYBMUJFWSA-N -1 0 341.354 3.101 20 30 EGEDRM C=CCCn1cc(/C=C2\CCCc3cc(C(=O)[O-])ccc3C2=O)nn1 ZINC000901523540 980343786 /nfs/dbraw/zinc/34/37/86/980343786.db2.gz FAOHZCWCLCNBNG-SDNWHVSQSA-N -1 0 337.379 3.155 20 30 EGEDRM C=C(C)CN(C)Cc1cc(OC)c(C(=O)[O-])cc1Br ZINC000903899022 981027154 /nfs/dbraw/zinc/02/71/54/981027154.db2.gz VJLOPVDMJJPXLX-UHFFFAOYSA-N -1 0 328.206 3.164 20 30 EGEDRM CCCCCCCC[C@H](C)CC(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001595704756 982278622 /nfs/dbraw/zinc/27/86/22/982278622.db2.gz GPBMUHMLPBNLNN-JYJNAYRXSA-N -1 0 327.465 3.464 20 30 EGEDRM CCCCCCCC[C@H](C)CC(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC001595705221 982282420 /nfs/dbraw/zinc/28/24/20/982282420.db2.gz RRGMPGMNRQMCIV-HNNXBMFYSA-N -1 0 327.465 3.201 20 30 EGEDRM CCCCCCCS(=O)(=O)N1CCCc2c(C(=O)[O-])cccc21 ZINC001595709068 982290278 /nfs/dbraw/zinc/29/02/78/982290278.db2.gz SAJYXSYLTLWFSW-UHFFFAOYSA-N -1 0 339.457 3.438 20 30 EGEDRM C[C@@H](Oc1ccc(NC(=O)[C@]2(C#N)CC23CCCC3)cc1F)C(=O)[O-] ZINC000923098684 982723289 /nfs/dbraw/zinc/72/32/89/982723289.db2.gz NKCXEPORHPUWHS-ADLMAVQZSA-N -1 0 346.358 3.090 20 30 EGEDRM CCCOc1ccc(C(=O)/C=C/c2c(C)n(C)nc2C(=O)[O-])cc1 ZINC001595952243 983127867 /nfs/dbraw/zinc/12/78/67/983127867.db2.gz DFYXPMWPUHIKIB-MDZDMXLPSA-N -1 0 328.368 3.112 20 30 EGEDRM C#CC[C@H](Cc1ccccc1)NC(=O)CC1(CC(=O)[O-])CCCC1 ZINC001588395411 983405872 /nfs/dbraw/zinc/40/58/72/983405872.db2.gz QRJIXJYOYUKMLP-QGZVFWFLSA-N -1 0 327.424 3.162 20 30 EGEDRM C#CCCOc1ccc(C(=O)OCc2cc(C(=O)[O-])ccc2C)cc1 ZINC001588458920 983484021 /nfs/dbraw/zinc/48/40/21/983484021.db2.gz VDBHZUPLGXLSAS-UHFFFAOYSA-N -1 0 338.359 3.452 20 30 EGEDRM C=C(C)[C@@H](NC(=O)NC1CC(CC(=O)[O-])C1)c1ccc(F)c(F)c1 ZINC001588536606 983594849 /nfs/dbraw/zinc/59/48/49/983594849.db2.gz ZHAFJVCZQTUEKV-GURQAQJRSA-N -1 0 338.354 3.135 20 30 EGEDRM C=C(C)C[C@H](NC(=O)CCOc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC001588540376 983603594 /nfs/dbraw/zinc/60/35/94/983603594.db2.gz DZNGBLIPWPBOAK-LBPRGKRZSA-N -1 0 346.210 3.298 20 30 EGEDRM C=C(C)C[C@H](NC(=O)CC(C)(C)CC(=O)c1ccccc1)C(=O)[O-] ZINC001588540545 983604474 /nfs/dbraw/zinc/60/44/74/983604474.db2.gz IVKMOAWYNAVXFK-HNNXBMFYSA-N -1 0 331.412 3.211 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)c1sc(-c2ccc(F)cc2)nc1C)C(=O)[O-] ZINC001588546739 983616692 /nfs/dbraw/zinc/61/66/92/983616692.db2.gz BRPSTAQRIHQRJF-CYBMUJFWSA-N -1 0 348.399 3.407 20 30 EGEDRM C=C(C)CCC(=O)NCc1cccc(-c2nc(C(=O)[O-])cs2)c1 ZINC001588555106 983633094 /nfs/dbraw/zinc/63/30/94/983633094.db2.gz YZGAPABEPSRRAJ-UHFFFAOYSA-N -1 0 330.409 3.481 20 30 EGEDRM C=C(C)Cn1c(C2CCCC2)nnc1N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001588592409 983677554 /nfs/dbraw/zinc/67/75/54/983677554.db2.gz XPQRFRJIMQEVTM-GOSISDBHSA-N -1 0 332.448 3.203 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N(C)Cc1ccc2cc(OC)ccc2c1 ZINC001588612626 983703705 /nfs/dbraw/zinc/70/37/05/983703705.db2.gz UOXGGIZKCBNORE-UHFFFAOYSA-N -1 0 327.380 3.228 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC001588612862 983704533 /nfs/dbraw/zinc/70/45/33/983704533.db2.gz YWVHNVNYEKRVEK-UHFFFAOYSA-N -1 0 330.428 3.056 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N[C@H](COc1ccccc1)c1ccccc1 ZINC001588621767 983720674 /nfs/dbraw/zinc/72/06/74/983720674.db2.gz JNFYVNWBGXTNPK-GOSISDBHSA-N -1 0 339.391 3.344 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(Br)c(F)c1C ZINC001588629379 983737065 /nfs/dbraw/zinc/73/70/65/983737065.db2.gz JMVNJPJDNNFFEQ-UHFFFAOYSA-N -1 0 330.153 3.256 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(Br)cc1CC ZINC001588629650 983738691 /nfs/dbraw/zinc/73/86/91/983738691.db2.gz QBSBKRVSSCPZTM-UHFFFAOYSA-N -1 0 326.190 3.371 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)NCc1ccnc(Oc2ccccc2F)c1 ZINC001588630291 983742856 /nfs/dbraw/zinc/74/28/56/983742856.db2.gz WJNBIXQBWJDTKO-UHFFFAOYSA-N -1 0 344.342 3.050 20 30 EGEDRM C=CC(C)(C)CNC(=O)NCCc1cc2ccc(C(=O)[O-])cc2o1 ZINC001588677191 983834384 /nfs/dbraw/zinc/83/43/84/983834384.db2.gz WWCMPJQORCELLC-UHFFFAOYSA-N -1 0 330.384 3.185 20 30 EGEDRM C=CC[C@H](C(=O)NCc1cc(C(=O)[O-])c(C)n1C)c1ccccc1 ZINC001588720571 983968236 /nfs/dbraw/zinc/96/82/36/983968236.db2.gz AURHNKQYKINXTM-INIZCTEOSA-N -1 0 326.396 3.008 20 30 EGEDRM C=CCC(C)(C)Cn1c(C2CCCC2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001588736416 984024623 /nfs/dbraw/zinc/02/46/23/984024623.db2.gz JBRSYBBVIQSSKU-HNNXBMFYSA-N -1 0 346.475 3.449 20 30 EGEDRM C=CCC(CC=C)C(=O)N1CCC(Cc2ncc(C(=O)[O-])s2)CC1 ZINC001588737222 984028896 /nfs/dbraw/zinc/02/88/96/984028896.db2.gz GVMRQXBVNNLMLA-UHFFFAOYSA-N -1 0 348.468 3.391 20 30 EGEDRM C=CC[C@@H](Cc1ccccc1)NC(=O)C1(C(=O)[O-])CC2(CCC2)C1 ZINC001588743876 984039923 /nfs/dbraw/zinc/03/99/23/984039923.db2.gz FAXNAMGCJOPFKN-INIZCTEOSA-N -1 0 327.424 3.325 20 30 EGEDRM C=CC[C@@H](Sc1nc2cc(Br)c(C)nc2[nH]1)C(=O)[O-] ZINC001588759006 984108617 /nfs/dbraw/zinc/10/86/17/984108617.db2.gz NJMRZCRHSSSZMY-SECBINFHSA-N -1 0 342.218 3.150 20 30 EGEDRM C=CCC1(C(=O)N2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)CCCC1 ZINC001588763694 984120247 /nfs/dbraw/zinc/12/02/47/984120247.db2.gz WMAITQJJPMJLJK-IAGOWNOFSA-N -1 0 327.424 3.450 20 30 EGEDRM C=CC[C@H](Sc1nnc2n1c1ccccc1n2C(C)C)C(=O)[O-] ZINC001588763781 984121438 /nfs/dbraw/zinc/12/14/38/984121438.db2.gz ZNMGGYLIBMDHIA-ZDUSSCGKSA-N -1 0 330.413 3.386 20 30 EGEDRM C=CCC1(C(=O)NC[C@H](Oc2ccc(F)cc2)C(=O)[O-])CCCCC1 ZINC001588763782 984121482 /nfs/dbraw/zinc/12/14/82/984121482.db2.gz ZONYBFXHXQRYIT-INIZCTEOSA-N -1 0 349.402 3.301 20 30 EGEDRM C=CCC1(C(=O)Nc2nc(C(C)C)c(C(=O)[O-])s2)CCOCC1 ZINC001588765283 984126491 /nfs/dbraw/zinc/12/64/91/984126491.db2.gz WEEIZVQIIZOJPB-UHFFFAOYSA-N -1 0 338.429 3.276 20 30 EGEDRM C=CCC1(NC(=O)Nc2ccc(F)c(C(=O)[O-])c2C)CCOCC1 ZINC001588767225 984129010 /nfs/dbraw/zinc/12/90/10/984129010.db2.gz PNXYHURBRBLBQI-UHFFFAOYSA-N -1 0 336.363 3.079 20 30 EGEDRM C=CCC1(NC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)CCOCC1 ZINC001588767248 984129491 /nfs/dbraw/zinc/12/94/91/984129491.db2.gz QMFKEKOAGJECDF-UHFFFAOYSA-N -1 0 338.791 3.285 20 30 EGEDRM C=CCCC[C@H](NC(=O)COc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC001588788732 984192442 /nfs/dbraw/zinc/19/24/42/984192442.db2.gz LKYRJUBXYFXCHL-LBPRGKRZSA-N -1 0 346.210 3.298 20 30 EGEDRM C=CCCC[C@H](NC(=O)C1(c2ccncc2)CC2(CCC2)C1)C(=O)[O-] ZINC001588789467 984198527 /nfs/dbraw/zinc/19/85/27/984198527.db2.gz BZWULXRGXZVBMT-INIZCTEOSA-N -1 0 342.439 3.209 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1ccc(C(=O)OC(C)(C)C)cc1)C(=O)[O-] ZINC001588793293 984217564 /nfs/dbraw/zinc/21/75/64/984217564.db2.gz VSTXHTOZJVYCJU-HNNXBMFYSA-N -1 0 347.411 3.181 20 30 EGEDRM C=CCCC[C@H](NS(=O)(=O)c1ccc2cc(C)ccc2c1)C(=O)[O-] ZINC001588798974 984239913 /nfs/dbraw/zinc/23/99/13/984239913.db2.gz WVLGMCSVIRPUQM-KRWDZBQOSA-N -1 0 347.436 3.236 20 30 EGEDRM C=CCCO[C@H](C)C(=O)Oc1ccc(C(=O)[O-])cc1Br ZINC001588808812 984263483 /nfs/dbraw/zinc/26/34/83/984263483.db2.gz NSIPQYUFSZNLHK-SECBINFHSA-N -1 0 343.173 3.034 20 30 EGEDRM C=CCCO[C@H](C)C(=O)Nc1nc(-c2ccc(C(=O)[O-])cc2)cs1 ZINC001588808946 984263983 /nfs/dbraw/zinc/26/39/83/984263983.db2.gz RAHOLQNSDIESMF-LLVKDONJSA-N -1 0 346.408 3.428 20 30 EGEDRM C=CCOC[C@H](NC(=O)C1(c2ccc(C(C)C)cc2)CCC1)C(=O)[O-] ZINC001588856232 984398404 /nfs/dbraw/zinc/39/84/04/984398404.db2.gz WZMAASKGCKFONF-KRWDZBQOSA-N -1 0 345.439 3.004 20 30 EGEDRM C=CCOc1ccc(CC(=O)Nc2ccc(C(=O)[O-])c(OC)c2)cc1 ZINC001588873551 984444733 /nfs/dbraw/zinc/44/47/33/984444733.db2.gz CKJYMGJKJSKURC-UHFFFAOYSA-N -1 0 341.363 3.139 20 30 EGEDRM C=CCOc1ccccc1CNC(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001588877248 984452241 /nfs/dbraw/zinc/45/22/41/984452241.db2.gz FKJYRTKSLNRAPI-UHFFFAOYSA-N -1 0 329.327 3.019 20 30 EGEDRM C=CCOc1cccnc1C(=O)Nc1cc(C(=O)[O-])cc2cccnc21 ZINC001588877216 984452270 /nfs/dbraw/zinc/45/22/70/984452270.db2.gz CJKWIIGPPUTJOM-UHFFFAOYSA-N -1 0 349.346 3.145 20 30 EGEDRM C=CCOc1ccccc1CNCc1ccccc1O[C@@H](C)C(=O)[O-] ZINC001588877368 984452789 /nfs/dbraw/zinc/45/27/89/984452789.db2.gz KFEFFVVGXVNDKI-HNNXBMFYSA-N -1 0 341.407 3.393 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)CC(C)(C)COC ZINC001588881846 984461007 /nfs/dbraw/zinc/46/10/07/984461007.db2.gz FUVNOCGDTNUDDO-UHFFFAOYSA-N -1 0 336.384 3.090 20 30 EGEDRM C=CCc1cccc(C(C)C)c1NC(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001588886192 984471044 /nfs/dbraw/zinc/47/10/44/984471044.db2.gz DRGRDOYMNFBWOZ-HNNXBMFYSA-N -1 0 346.427 3.246 20 30 EGEDRM C=CCn1c(N2CCc3cccc(C(=O)[O-])c3C2)nnc1C(C)(C)C ZINC001588904997 984534498 /nfs/dbraw/zinc/53/44/98/984534498.db2.gz LIUHMVMWUZOJNS-UHFFFAOYSA-N -1 0 340.427 3.023 20 30 EGEDRM C=CCn1ncc2ccc(NC(=O)CCc3ccc(C(=O)[O-])cc3)cc21 ZINC001588912613 984552226 /nfs/dbraw/zinc/55/22/26/984552226.db2.gz LCZRUZYQUGBAMS-UHFFFAOYSA-N -1 0 349.390 3.492 20 30 EGEDRM CCOC(=O)c1ccc(C#N)c(S[C@H](C)c2ccc(C(=O)[O-])o2)n1 ZINC001596713075 984931222 /nfs/dbraw/zinc/93/12/22/984931222.db2.gz CSCIGVIJNHDCML-SECBINFHSA-N -1 0 346.364 3.274 20 30 EGEDRM Cc1c(C(=O)/C=C\c2cc(C(=O)[O-])n(C)c2)cnn1-c1ccccc1 ZINC001599975247 986078874 /nfs/dbraw/zinc/07/88/74/986078874.db2.gz VVNDVJPXAPRQLY-HJWRWDBZSA-N -1 0 335.363 3.114 20 30 EGEDRM CCOCc1nc(C)cc(NN=Cc2cc(C(=O)[O-])ccc2Cl)n1 ZINC001596952255 986122290 /nfs/dbraw/zinc/12/22/90/986122290.db2.gz KWQZFHXLGPJRRO-UHFFFAOYSA-N -1 0 348.790 3.119 20 30 EGEDRM Cc1c2cc(C#N)ccc2sc1C(=O)N[C@@H](CC1CC1)C(=O)[O-] ZINC001599979463 986142126 /nfs/dbraw/zinc/14/21/26/986142126.db2.gz YVJXSADXFJXBOX-ZDUSSCGKSA-N -1 0 328.393 3.065 20 30 EGEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001589331311 986183659 /nfs/dbraw/zinc/18/36/59/986183659.db2.gz ANIVXYAHYHZANE-RWMBFGLXSA-N -1 0 332.425 3.378 20 30 EGEDRM CCOc1ccc(NC(=O)N(C)[C@H]2CCC[C@H]2C#N)c(C(=O)[O-])c1F ZINC001597117898 986795192 /nfs/dbraw/zinc/79/51/92/986795192.db2.gz OSICIGYWAFUAAK-JQWIXIFHSA-N -1 0 349.362 3.079 20 30 EGEDRM CC(C)(C#N)c1ccc(C(=O)NC[C@@H](CC2CCCC2)C(=O)[O-])cc1 ZINC001589558162 987309411 /nfs/dbraw/zinc/30/94/11/987309411.db2.gz NCAREJRWSBQWII-MRXNPFEDSA-N -1 0 342.439 3.499 20 30 EGEDRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1 ZINC001589611287 987461994 /nfs/dbraw/zinc/46/19/94/987461994.db2.gz DZLBBFGPEXZHEC-IXDOHACOSA-N -1 0 340.423 3.011 20 30 EGEDRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2[nH]c3ccccc3c2C#N)C1 ZINC001589611328 987462024 /nfs/dbraw/zinc/46/20/24/987462024.db2.gz GCGALKMOABFLDJ-GFCCVEGCSA-N -1 0 339.395 3.003 20 30 EGEDRM CC(C)(C(=O)OC1CCC(CC(=O)[O-])CC1)c1ccc(C#N)cc1 ZINC001589681427 987712439 /nfs/dbraw/zinc/71/24/39/987712439.db2.gz ZZAIFDCAMWHJFH-UHFFFAOYSA-N -1 0 329.396 3.413 20 30 EGEDRM CCc1ccc([C@@H](C#N)NC(=O)CCc2ccccc2C(=O)[O-])cc1 ZINC001597508128 988083872 /nfs/dbraw/zinc/08/38/72/988083872.db2.gz CFQVCNLOVJGNON-GOSISDBHSA-N -1 0 336.391 3.261 20 30 EGEDRM CC(C)(C)CN(CCC#N)CCOc1ccc(/C=C/C(=O)[O-])cc1 ZINC001589779835 988144398 /nfs/dbraw/zinc/14/43/98/988144398.db2.gz AACHSNDXCCSXRZ-JXMROGBWSA-N -1 0 330.428 3.425 20 30 EGEDRM CCc1ccc(CC)c(NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)c1 ZINC001597520903 988152250 /nfs/dbraw/zinc/15/22/50/988152250.db2.gz BBTQYNBWPLADKG-UHFFFAOYSA-N -1 0 329.400 3.034 20 30 EGEDRM CC(C)(C)Oc1ccc(NC(=O)c2cc(C(=O)[O-])ccn2)cc1C#N ZINC001590408373 989940377 /nfs/dbraw/zinc/94/03/77/989940377.db2.gz JGLPVDBOWHRZFG-UHFFFAOYSA-N -1 0 339.351 3.081 20 30 EGEDRM CN(C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1)[C@H]1CCC[C@@H]1C#N ZINC001598056616 990317552 /nfs/dbraw/zinc/31/75/52/990317552.db2.gz QTICOBMIPUGHOC-PELKAZGASA-N -1 0 339.754 3.333 20 30 EGEDRM CN(C(=O)Nc1cccc(CSCC(=O)[O-])c1)[C@H]1CCC[C@H]1C#N ZINC001598061513 990334192 /nfs/dbraw/zinc/33/41/92/990334192.db2.gz JEXFNHCYRGIKIF-ZFWWWQNUSA-N -1 0 347.440 3.160 20 30 EGEDRM CN(C(=O)c1cc(C(=O)[O-])ccc1Cl)c1ccc(C#N)cc1F ZINC001598079431 990394735 /nfs/dbraw/zinc/39/47/35/990394735.db2.gz QNCTYYFIJPJXPA-UHFFFAOYSA-N -1 0 332.718 3.326 20 30 EGEDRM CC(C)(CSCC(=O)Nc1ccccc1SCC#N)C(=O)[O-] ZINC001590820652 990656687 /nfs/dbraw/zinc/65/66/87/990656687.db2.gz XWWZCMAVMSQQML-UHFFFAOYSA-N -1 0 338.454 3.085 20 30 EGEDRM CC(C)C[C@H](CNC(=O)Nc1ccc(C#N)cc1C1CC1)C(=O)[O-] ZINC001591150579 991892240 /nfs/dbraw/zinc/89/22/40/991892240.db2.gz GHSKDMOPSQSFHO-CQSZACIVSA-N -1 0 329.400 3.304 20 30 EGEDRM COc1ccc2c(c1)CCC[C@@H]2CNc1ccc(C(=O)[O-])nc1C#N ZINC001599628046 994177175 /nfs/dbraw/zinc/17/71/75/994177175.db2.gz DUOVYRLQAAXLOK-CYBMUJFWSA-N -1 0 337.379 3.192 20 30 EGEDRM COc1ccc2ncc(C#N)c(OC[C@H]3CCCC[C@@H]3C(=O)[O-])c2c1 ZINC001599634806 994271116 /nfs/dbraw/zinc/27/11/16/994271116.db2.gz HUPGGLIAXOZXOI-DOMZBBRYSA-N -1 0 340.379 3.385 20 30 EGEDRM COc1ccc2ncc(Cl)c(N3CCC(C#N)(C(=O)[O-])CC3)c2c1 ZINC001599637976 994316870 /nfs/dbraw/zinc/31/68/70/994316870.db2.gz OUIVSUBTXLZHQV-UHFFFAOYSA-N -1 0 345.786 3.092 20 30 EGEDRM CC(C)(C(=O)[O-])[C@@H](NC(=O)N1CCC[C@@](C)(C#N)C1)c1ccccc1 ZINC001593739942 996354688 /nfs/dbraw/zinc/35/46/88/996354688.db2.gz MSYZHNHUUIKNIC-KXBFYZLASA-N -1 0 343.427 3.174 20 30 EGEDRM CC1(C#N)CCN(Cc2ccc(C(=O)[O-])cc2Br)CC1 ZINC001593743036 996365054 /nfs/dbraw/zinc/36/50/54/996365054.db2.gz NWMCAVRGZLDWMP-UHFFFAOYSA-N -1 0 337.217 3.273 20 30 EGEDRM COc1ccc(C(=O)[O-])c(OCCCOc2ccc(C#N)cc2)c1 ZINC001599492493 996965672 /nfs/dbraw/zinc/96/56/72/996965672.db2.gz PQPNJXZQORDRRC-UHFFFAOYSA-N -1 0 327.336 3.113 20 30 EGEDRM COc1cc2c(c(/C=C/C(=O)c3cc(C(=O)[O-])co3)c1)O[C@H](C)C2 ZINC001599401109 997215649 /nfs/dbraw/zinc/21/56/49/997215649.db2.gz XMIUVUWZWBQLCJ-HMDXOVGESA-N -1 0 328.320 3.206 20 30 EGEDRM COc1cc(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)ccc1C#N ZINC001599356100 998181099 /nfs/dbraw/zinc/18/10/99/998181099.db2.gz XDEXTJJVGQDBIG-JKSUJKDBSA-N -1 0 336.347 3.007 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1NC(=O)[C@@H](C#N)CCc1ccccc1 ZINC001599371152 998411756 /nfs/dbraw/zinc/41/17/56/998411756.db2.gz PHVBBSAOWAVOKI-OAHLLOKOSA-N -1 0 338.363 3.104 20 30 EGEDRM CCCOc1cc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)ccc1OC ZINC000193609900 240233845 /nfs/dbraw/zinc/23/38/45/240233845.db2.gz QWEMAWQLFPWJBV-FMIVXFBMSA-N -1 0 339.395 3.308 20 30 EGEDRM Cc1ccc(-c2cc(=NC(=O)c3cc(C#N)ccc3Cl)[nH][n-]2)o1 ZINC000357363419 241858507 /nfs/dbraw/zinc/85/85/07/241858507.db2.gz VIPYYBMVWHGZNH-UHFFFAOYSA-N -1 0 326.743 3.177 20 30 EGEDRM O=C([O-])COc1ccc(C(=O)/C=C/c2cnn(-c3ccccc3)c2)cc1 ZINC000007909502 258053528 /nfs/dbraw/zinc/05/35/28/258053528.db2.gz NJINJAQVDGCNMT-IZZDOVSWSA-N -1 0 348.358 3.232 20 30 EGEDRM CN(C)c1c(Cl)cccc1[N-]S(=O)(=O)c1ccccc1C#N ZINC000045769603 142562355 /nfs/dbraw/zinc/56/23/55/142562355.db2.gz XYLUHTRUFGOIOD-UHFFFAOYSA-N -1 0 335.816 3.078 20 30 EGEDRM N#Cc1nc(NC(=O)CCCOc2cccc3ccccc32)[n-]c1C#N ZINC000047088077 142565586 /nfs/dbraw/zinc/56/55/86/142565586.db2.gz CFMXZIANKYOYBK-UHFFFAOYSA-N -1 0 345.362 3.104 20 30 EGEDRM Cc1cccc(OC(F)F)c1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000175013575 144056034 /nfs/dbraw/zinc/05/60/34/144056034.db2.gz BDNNAMCZMUKAHC-UHFFFAOYSA-N -1 0 338.335 3.269 20 30 EGEDRM CSc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cn2)cc1Cl ZINC000185615529 144116085 /nfs/dbraw/zinc/11/60/85/144116085.db2.gz RLNVKSOFIUHFLZ-UHFFFAOYSA-N -1 0 339.829 3.129 20 30 EGEDRM N#Cc1ccc(F)c(CSc2nc(=O)cc([O-])n2C2CCCC2)c1 ZINC000192709151 153254723 /nfs/dbraw/zinc/25/47/23/153254723.db2.gz ZZPQRWFIQHQNSU-UHFFFAOYSA-N -1 0 345.399 3.367 20 30 EGEDRM Cc1noc(C2CC2)c1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000126857297 162314698 /nfs/dbraw/zinc/31/46/98/162314698.db2.gz IMWATMXMBNWYML-UHFFFAOYSA-N -1 0 337.788 3.186 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3cccc(Cl)c3n2)o1 ZINC000342441340 163880277 /nfs/dbraw/zinc/88/02/77/163880277.db2.gz DKFLVCLWHAKNAG-UHFFFAOYSA-N -1 0 333.756 3.154 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2Oc2ccncc2)o1 ZINC000342500969 163894912 /nfs/dbraw/zinc/89/49/12/163894912.db2.gz XLZZWRRXTPTCLF-UHFFFAOYSA-N -1 0 341.348 3.139 20 30 EGEDRM Cc1cc2c[nH]nc2cc1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000359054540 167052638 /nfs/dbraw/zinc/05/26/38/167052638.db2.gz KDMAGZUGVSWROG-UHFFFAOYSA-N -1 0 346.799 3.197 20 30 EGEDRM CCc1ncc(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)s1 ZINC000359098443 167066337 /nfs/dbraw/zinc/06/63/37/167066337.db2.gz CPWVMFAHCGDFTH-UHFFFAOYSA-N -1 0 327.818 3.031 20 30 EGEDRM N#Cc1cccc(C=CC(=O)[N-]S(=O)(=O)c2ccccc2F)c1 ZINC000048592784 270037731 /nfs/dbraw/zinc/03/77/31/270037731.db2.gz HBCBMLWFMUUCJU-HJWRWDBZSA-N -1 0 330.340 3.056 20 30 EGEDRM N#Cc1ccc(Br)cc1[N-]S(=O)(=O)c1cccs1 ZINC000185154302 265485082 /nfs/dbraw/zinc/48/50/82/265485082.db2.gz JDOMFDOEJHOHSQ-UHFFFAOYSA-N -1 0 343.227 3.183 20 30 EGEDRM C=CCCCS(=O)(=O)[N-]c1cc(Br)ccc1C#N ZINC000291849035 265580544 /nfs/dbraw/zinc/58/05/44/265580544.db2.gz INIGVUOUOZTHGX-UHFFFAOYSA-N -1 0 329.219 3.029 20 30 EGEDRM C[C@H](C(=O)N=c1ccc(-c2ccccc2)n[n-]1)c1cccc(C#N)c1 ZINC000464263877 267804661 /nfs/dbraw/zinc/80/46/61/267804661.db2.gz RJPIIULESJDOBC-AWEZNQCLSA-N -1 0 328.375 3.179 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2ccn(-c3ccccc3Cl)n2)cc1[O-] ZINC000188898364 268047841 /nfs/dbraw/zinc/04/78/41/268047841.db2.gz KVBOKFAQXLCVSG-UHFFFAOYSA-N -1 0 338.754 3.355 20 30 EGEDRM N#Cc1c(F)ccc(CN=c2[n-]nc(Cc3ccsc3)o2)c1Cl ZINC000432418418 268160849 /nfs/dbraw/zinc/16/08/49/268160849.db2.gz ZWLBFNUIVREZKF-UHFFFAOYSA-N -1 0 348.790 3.420 20 30 EGEDRM N#Cc1ccc(C(=O)[O-])nc1/C=C\c1ccc(Oc2cnccn2)cc1 ZINC000437535996 268207346 /nfs/dbraw/zinc/20/73/46/268207346.db2.gz KMEKRLFUMAOKJD-CLTKARDFSA-N -1 0 344.330 3.404 20 30 EGEDRM N#Cc1ccc(NC2CCN(C(=O)c3ccccc3O)CC2)c(F)c1 ZINC000436944746 268246954 /nfs/dbraw/zinc/24/69/54/268246954.db2.gz RHMVUBURZFOEKP-UHFFFAOYSA-N -1 0 339.370 3.120 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C#N)cc1F ZINC000427766648 268259897 /nfs/dbraw/zinc/25/98/97/268259897.db2.gz BOLMSBKCABCIGV-UHFFFAOYSA-N -1 0 335.747 3.023 20 30 EGEDRM Cc1cc2cc([N-]S(=O)(=O)c3c(F)cc(C#N)cc3F)ccc2[nH]1 ZINC000128734196 307604819 /nfs/dbraw/zinc/60/48/19/307604819.db2.gz PKVKSDXOZNALEG-UHFFFAOYSA-N -1 0 347.346 3.427 20 30 EGEDRM CCOc1cc([N-]S(=O)(=O)c2cccc(C)c2C#N)ccc1OC ZINC000137278846 307716861 /nfs/dbraw/zinc/71/68/61/307716861.db2.gz ZSJHBKIPISAELU-UHFFFAOYSA-N -1 0 346.408 3.075 20 30 EGEDRM Cc1[n-]n(-c2cc(C)ccc2C)c(=O)c1C(=O)Nc1cccc(C#N)c1 ZINC000155578504 307816973 /nfs/dbraw/zinc/81/69/73/307816973.db2.gz KRXVDDGNUDFJEH-SFHVURJKSA-N -1 0 346.390 3.153 20 30 EGEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1ccc(-c2ncco2)cc1 ZINC000157723775 307849506 /nfs/dbraw/zinc/84/95/06/307849506.db2.gz LYNJUWVLEUEDNZ-UHFFFAOYSA-N -1 0 325.349 3.014 20 30 EGEDRM N#Cc1ccc(CN=c2[n-]nc(Cc3ccc(F)cc3)s2)c(F)c1 ZINC000538593060 314257175 /nfs/dbraw/zinc/25/71/75/314257175.db2.gz SPOAWEIJMKKSNW-UHFFFAOYSA-N -1 0 342.374 3.313 20 30 EGEDRM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2C#N)c(C)c1 ZINC000545443591 314764621 /nfs/dbraw/zinc/76/46/21/314764621.db2.gz YCNTXLIVKAMYPC-UHFFFAOYSA-N -1 0 334.372 3.124 20 30 EGEDRM C[C@@H]1CCN(c2nc3c(cc2C#N)CCCC3(C)C)C[C@H]1C(=O)[O-] ZINC000564971476 316239580 /nfs/dbraw/zinc/23/95/80/316239580.db2.gz MMTKPBGZULLQFK-IUODEOHRSA-N -1 0 327.428 3.114 20 30 EGEDRM CC[C@H](C)n1ncc2c1nc(/C=C/c1cc(C#N)n(C)c1)cc2C(=O)[O-] ZINC000572606048 317364076 /nfs/dbraw/zinc/36/40/76/317364076.db2.gz CABIVSJDGKEGKL-FYJFLYSWSA-N -1 0 349.394 3.481 20 30 EGEDRM CCOc1cc(C#N)cc(-c2ccc(OC)cc2C)c1OCC(=O)[O-] ZINC000580466958 325254834 /nfs/dbraw/zinc/25/48/34/325254834.db2.gz RUSSEZSOFKHXPR-UHFFFAOYSA-N -1 0 341.363 3.404 20 30 EGEDRM C=CCCCCCN(C)C(=O)c1nn(-c2ccc(OC)cc2)cc1[O-] ZINC000181113609 455289814 /nfs/dbraw/zinc/28/98/14/455289814.db2.gz NWSBLNVIGHOANP-UHFFFAOYSA-N -1 0 343.427 3.405 20 30 EGEDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cccc(C)c2C#N)c1C ZINC000181148519 455294277 /nfs/dbraw/zinc/29/42/77/455294277.db2.gz LLTSYFWMLQNQJI-UHFFFAOYSA-N -1 0 345.380 3.193 20 30 EGEDRM N#Cc1nc(NC(=O)CCCSc2ccc(Cl)cc2)[n-]c1C#N ZINC000026273875 453795408 /nfs/dbraw/zinc/79/54/08/453795408.db2.gz FZJAENJJFLEHKR-UHFFFAOYSA-N -1 0 345.815 3.317 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)C(C)(C)C)c(Br)c1 ZINC000075040595 453853971 /nfs/dbraw/zinc/85/39/71/453853971.db2.gz FGOONTNFCNXOIT-UHFFFAOYSA-N -1 0 334.235 3.449 20 30 EGEDRM N#Cc1nc(NC(=O)c2cc3c(ccc(Cl)c3Cl)[nH]2)[n-]c1C#N ZINC000053799831 453897136 /nfs/dbraw/zinc/89/71/36/453897136.db2.gz WQQJIOVHNZSZDU-UHFFFAOYSA-N -1 0 345.149 3.193 20 30 EGEDRM N#Cc1nc(NC(=O)CCCc2cccc(C(F)(F)F)c2)[n-]c1C#N ZINC000184462656 455384330 /nfs/dbraw/zinc/38/43/30/455384330.db2.gz BQIUYSHPVAPQAC-UHFFFAOYSA-N -1 0 347.300 3.133 20 30 EGEDRM Cc1nn(C)c2nc(C)cc(C([O-])=C(C#N)c3nc4ccccc4o3)c12 ZINC000041541620 453971502 /nfs/dbraw/zinc/97/15/02/453971502.db2.gz VKCOTAOYUOBOSI-CYBMUJFWSA-N -1 0 345.362 3.216 20 30 EGEDRM COC(=O)c1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)s1 ZINC000041541412 453971506 /nfs/dbraw/zinc/97/15/06/453971506.db2.gz ZVFIAHQSVDQXFW-SECBINFHSA-N -1 0 326.333 3.166 20 30 EGEDRM N#CC(=C([O-])c1cncc(Br)c1)c1nc2ccccc2o1 ZINC000041545847 453971690 /nfs/dbraw/zinc/97/16/90/453971690.db2.gz WUBOVYQJRZFKAS-NSHDSACASA-N -1 0 342.152 3.475 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccccc2OCC)n1 ZINC000067898243 453978651 /nfs/dbraw/zinc/97/86/51/453978651.db2.gz QOCWPTXKAIEUPV-LBPRGKRZSA-N -1 0 344.392 3.209 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)c2sccc2Br)cc1 ZINC000044352098 454097555 /nfs/dbraw/zinc/09/75/55/454097555.db2.gz QGBPNYCBSRTXNJ-UHFFFAOYSA-N -1 0 343.227 3.183 20 30 EGEDRM N#Cc1nc(NC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)[n-]c1C#N ZINC000069376608 454100026 /nfs/dbraw/zinc/10/00/26/454100026.db2.gz XPSOZNIEWCPYKL-BDAKNGLRSA-N -1 0 346.177 3.202 20 30 EGEDRM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000077688245 454141817 /nfs/dbraw/zinc/14/18/17/454141817.db2.gz IUCHVMBAKJHJRN-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM O=C(C=Cc1ccccc1[N+](=O)[O-])[N-]S(=O)(=O)C1CCCCC1 ZINC000058072531 454162712 /nfs/dbraw/zinc/16/27/12/454162712.db2.gz VCJPEUKENRPJSD-ZHACJKMWSA-N -1 0 338.385 3.227 20 30 EGEDRM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]C(=O)C1CCOCC1 ZINC000077942852 454171190 /nfs/dbraw/zinc/17/11/90/454171190.db2.gz JYSVMMOKEVTUMS-UHFFFAOYSA-N -1 0 339.457 3.364 20 30 EGEDRM CCC1CCC(CNC(=O)c2cc(C#N)c(SC)[n-]c2=O)CC1 ZINC000070825288 454178462 /nfs/dbraw/zinc/17/84/62/454178462.db2.gz OMCXEYXMEXSSPM-UHFFFAOYSA-N -1 0 333.457 3.327 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)C=Cc2ccc3c(c2)CCO3)s1 ZINC000078775952 454316742 /nfs/dbraw/zinc/31/67/42/454316742.db2.gz KDSHYWLDVMDNPR-GQCTYLIASA-N -1 0 349.433 3.350 20 30 EGEDRM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)c1 ZINC000048471861 454492274 /nfs/dbraw/zinc/49/22/74/454492274.db2.gz LFDBZRFKQZXSKS-YIONKMFJSA-N -1 0 349.452 3.344 20 30 EGEDRM N#CC(=C([O-])c1cn(-c2ccccc2)nn1)c1ccc2ccccc2n1 ZINC000048858545 454519915 /nfs/dbraw/zinc/51/99/15/454519915.db2.gz UICJKRFVELPAIK-MRXNPFEDSA-N -1 0 339.358 3.306 20 30 EGEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc2[nH]c(C)cc2c1 ZINC000184800044 455450087 /nfs/dbraw/zinc/45/00/87/455450087.db2.gz JAIVKEXOMPEDPH-UHFFFAOYSA-N -1 0 341.392 3.157 20 30 EGEDRM Cc1cc(Br)oc1C([O-])=C(C#N)c1cc(C)nc(C)n1 ZINC000049408036 454547731 /nfs/dbraw/zinc/54/77/31/454547731.db2.gz KTWDGPQSRYBKKE-SNVBAGLBSA-N -1 0 334.173 3.247 20 30 EGEDRM O=C(C=Cc1cscn1)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000051901202 454641702 /nfs/dbraw/zinc/64/17/02/454641702.db2.gz DUXCRKQUEFEBNF-DUXPYHPUSA-N -1 0 346.792 3.294 20 30 EGEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3cocn3)n2)cc1 ZINC000105762959 454656134 /nfs/dbraw/zinc/65/61/34/454656134.db2.gz HZICWYJISOZJTB-LBPRGKRZSA-N -1 0 325.349 3.297 20 30 EGEDRM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cc(C)nn2CCC#N)cc1 ZINC000066247961 454671826 /nfs/dbraw/zinc/67/18/26/454671826.db2.gz KZJMVYVCPLMAJP-CYBMUJFWSA-N -1 0 346.456 3.420 20 30 EGEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(C2CCCC2)[nH]n1 ZINC000177753642 454900165 /nfs/dbraw/zinc/90/01/65/454900165.db2.gz BMEZARZCKYWRFN-UHFFFAOYSA-N -1 0 330.413 3.048 20 30 EGEDRM N#CCc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)cc1 ZINC000177991101 454924683 /nfs/dbraw/zinc/92/46/83/454924683.db2.gz SOZSFIWESBWZCI-UHFFFAOYSA-N -1 0 331.784 3.079 20 30 EGEDRM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccn(CCC#N)n2)cc1 ZINC000117740962 455092613 /nfs/dbraw/zinc/09/26/13/455092613.db2.gz ASZCMLXYHMSSOY-CYBMUJFWSA-N -1 0 332.429 3.111 20 30 EGEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000180115795 455134369 /nfs/dbraw/zinc/13/43/69/455134369.db2.gz LHYOUZWZPGXETH-JKSUJKDBSA-N -1 0 331.412 3.101 20 30 EGEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000180115773 455134556 /nfs/dbraw/zinc/13/45/56/455134556.db2.gz LHYOUZWZPGXETH-HZPDHXFCSA-N -1 0 331.412 3.101 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)c2cnc3ccccc3n2)ccc1[N+](=O)[O-] ZINC000190895690 455399707 /nfs/dbraw/zinc/39/97/07/455399707.db2.gz DDXMGSIJLDTVFQ-CYBMUJFWSA-N -1 0 332.319 3.337 20 30 EGEDRM COCCOc1ccc(C#N)cc1NC(=O)c1ccc([O-])c(Cl)c1 ZINC000182218075 455463772 /nfs/dbraw/zinc/46/37/72/455463772.db2.gz RICZCSJAYNBPDK-UHFFFAOYSA-N -1 0 346.770 3.195 20 30 EGEDRM N#Cc1ccccc1CSCCNC(=O)c1cc(F)c([O-])c(F)c1 ZINC000186417023 455764587 /nfs/dbraw/zinc/76/45/87/455764587.db2.gz JQYZTCPCYYBPRH-UHFFFAOYSA-N -1 0 348.374 3.205 20 30 EGEDRM CC[C@H](CC#N)NC(=O)C(F)(F)c1ccccc1Br ZINC000294911138 455832212 /nfs/dbraw/zinc/83/22/12/455832212.db2.gz IGGVKLPVZUPJNJ-SECBINFHSA-N -1 0 331.160 3.349 20 30 EGEDRM C=CCC[C@H](NC(=O)c1ccc(OC2CCCC2)c(OC)c1)C(=O)[O-] ZINC000262934307 456069703 /nfs/dbraw/zinc/06/97/03/456069703.db2.gz PGJHHFMCRQVRIZ-HNNXBMFYSA-N -1 0 347.411 3.166 20 30 EGEDRM CC(C)(C)Oc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000288405674 456095341 /nfs/dbraw/zinc/09/53/41/456095341.db2.gz GIVDIXWCINLIFV-UHFFFAOYSA-N -1 0 338.360 3.268 20 30 EGEDRM CCCCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)o2)c(C)c1 ZINC000288408210 456095382 /nfs/dbraw/zinc/09/53/82/456095382.db2.gz GLZSAKUWJSXZSO-UHFFFAOYSA-N -1 0 334.397 3.439 20 30 EGEDRM C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000263485246 456155958 /nfs/dbraw/zinc/15/59/58/456155958.db2.gz MJWBHAVPBXZZNN-SJCJKPOMSA-N -1 0 347.440 3.409 20 30 EGEDRM CCOCCC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000237033948 456221915 /nfs/dbraw/zinc/22/19/15/456221915.db2.gz LVTUTQKCLMPCFT-UHFFFAOYSA-N -1 0 337.375 3.150 20 30 EGEDRM COc1nc(C)ccc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000337246192 456341384 /nfs/dbraw/zinc/34/13/84/456341384.db2.gz JGQTXNGZXGGKFO-LBPRGKRZSA-N -1 0 335.285 3.303 20 30 EGEDRM Cc1nc(-c2ccc(C([O-])=C(C#N)c3nc4ccccc4o3)cc2)n[nH]1 ZINC000347796364 456372509 /nfs/dbraw/zinc/37/25/09/456372509.db2.gz FXTRIOWWERHMNS-AWEZNQCLSA-N -1 0 343.346 3.411 20 30 EGEDRM Cc1cccc(S(=O)(=O)[N-]c2c(C#N)cnn2C2CCCC2)c1F ZINC000337751850 456523789 /nfs/dbraw/zinc/52/37/89/456523789.db2.gz GFVGCTLWCCXFPC-UHFFFAOYSA-N -1 0 348.403 3.118 20 30 EGEDRM Cc1ccc(F)cc1S(=O)(=O)[N-]c1c(C#N)cnn1C1CCCC1 ZINC000337756740 456525799 /nfs/dbraw/zinc/52/57/99/456525799.db2.gz IEJZYHROYDKASM-UHFFFAOYSA-N -1 0 348.403 3.118 20 30 EGEDRM CCCn1c(C(=O)N=c2[n-]n(C(C)C)cc2C#N)cc2ccccc21 ZINC000348272134 456587693 /nfs/dbraw/zinc/58/76/93/456587693.db2.gz YFXNAAOYRLZVKI-UHFFFAOYSA-N -1 0 335.411 3.375 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccnc(C3CC3)c2)n1 ZINC000340887823 456740929 /nfs/dbraw/zinc/74/09/29/456740929.db2.gz XSRMHXYHNBEPOY-LBPRGKRZSA-N -1 0 341.392 3.082 20 30 EGEDRM CC(C)Oc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000340968577 456789822 /nfs/dbraw/zinc/78/98/22/456789822.db2.gz VDMHBHITXPIYLV-UHFFFAOYSA-N -1 0 340.788 3.393 20 30 EGEDRM CCc1c([N-]S(=O)(=O)c2ccc(C#N)o2)cnn1C(CC)CC ZINC000340972899 456791476 /nfs/dbraw/zinc/79/14/76/456791476.db2.gz POADWMMNIJXHEJ-UHFFFAOYSA-N -1 0 336.417 3.072 20 30 EGEDRM COc1cc(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC2)cc(Cl)c1O ZINC000329100225 456835147 /nfs/dbraw/zinc/83/51/47/456835147.db2.gz DOCUINOAGVLGNC-RISCZKNCSA-N -1 0 338.791 3.256 20 30 EGEDRM CCc1oc(C([O-])=C(C#N)c2nc3ccccc3o2)cc1C(=O)OC ZINC000338581204 456842717 /nfs/dbraw/zinc/84/27/17/456842717.db2.gz GJIMPJGSAOBMPG-NSHDSACASA-N -1 0 338.319 3.260 20 30 EGEDRM CC(C)c1ccc(S([O-])=CC(=O)NCc2cccc(C#N)c2)cc1 ZINC000341741829 456923828 /nfs/dbraw/zinc/92/38/28/456923828.db2.gz DBXRYQNJZVYZHQ-DEOSSOPVSA-N -1 0 340.448 3.106 20 30 EGEDRM Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NCc1nnc(C(C)C)s1 ZINC000329848785 456950293 /nfs/dbraw/zinc/95/02/93/456950293.db2.gz ZASKSWOVCYNJLX-UHFFFAOYSA-N -1 0 349.460 3.268 20 30 EGEDRM N#CCc1ccc(C(=O)N(CC(=O)[O-])Cc2ccc(Cl)cc2)cc1 ZINC000346018881 457012897 /nfs/dbraw/zinc/01/28/97/457012897.db2.gz CHESLVYXTRXPIA-UHFFFAOYSA-N -1 0 342.782 3.133 20 30 EGEDRM C=CCOc1ccccc1CNC(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000362774193 457087386 /nfs/dbraw/zinc/08/73/86/457087386.db2.gz OGVIYBPETQDNJC-UHFFFAOYSA-N -1 0 349.390 3.073 20 30 EGEDRM Cc1nc(C(C)(C)C)sc1C(=O)N=c1[n-]n(C(C)C)cc1C#N ZINC000330953027 457109075 /nfs/dbraw/zinc/10/90/75/457109075.db2.gz LFTUOBXWVTWWJX-UHFFFAOYSA-N -1 0 331.445 3.072 20 30 EGEDRM CC1(C)CCCC[C@@H]1NC(=O)N=c1[n-]nc(CC(F)(F)F)s1 ZINC000331176835 457142702 /nfs/dbraw/zinc/14/27/02/457142702.db2.gz PYBOWLRIXXJGKN-QMMMGPOBSA-N -1 0 336.383 3.360 20 30 EGEDRM CCc1noc2ncc(C([O-])=C(C#N)c3nc4ccccc4n3C)cc12 ZINC000342270914 457201663 /nfs/dbraw/zinc/20/16/63/457201663.db2.gz GYMCRWRHLGSXNY-CYBMUJFWSA-N -1 0 345.362 3.162 20 30 EGEDRM N#CC(=C([O-])c1csc(CCc2ccccc2)n1)c1ccncn1 ZINC000354462167 457239995 /nfs/dbraw/zinc/23/99/95/457239995.db2.gz HITHWFNQUVUTRS-AWEZNQCLSA-N -1 0 334.404 3.208 20 30 EGEDRM CN(C)c1ccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)nc1 ZINC000342369777 457261090 /nfs/dbraw/zinc/26/10/90/457261090.db2.gz QTCILQLFLPXLHR-LBPRGKRZSA-N -1 0 328.441 3.392 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(C(C)C)cn2)n1 ZINC000354963082 457332917 /nfs/dbraw/zinc/33/29/17/457332917.db2.gz FUODTMDVNJXFSV-LBPRGKRZSA-N -1 0 343.408 3.328 20 30 EGEDRM CSc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)n1 ZINC000342662284 457437898 /nfs/dbraw/zinc/43/78/98/457437898.db2.gz PALAHIPJMAFEPV-UHFFFAOYSA-N -1 0 339.829 3.129 20 30 EGEDRM C=CCC1(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)CCOCC1 ZINC000425241222 457468466 /nfs/dbraw/zinc/46/84/66/457468466.db2.gz MWWHPCYJLBPGIW-CQSZACIVSA-N -1 0 331.412 3.261 20 30 EGEDRM C=CCN(CCc1ccco1)C(=O)N=c1[n-]nc(-c2ccco2)s1 ZINC000352619166 457496918 /nfs/dbraw/zinc/49/69/18/457496918.db2.gz ZSFMMCXKCHXHGA-UHFFFAOYSA-N -1 0 344.396 3.076 20 30 EGEDRM C=CCN=c1[n-]nc(SCC(=O)Cc2ccccc2Cl)s1 ZINC000443473063 457769338 /nfs/dbraw/zinc/76/93/38/457769338.db2.gz JYLPLFZDUQHCPI-UHFFFAOYSA-N -1 0 339.873 3.115 20 30 EGEDRM Cc1nc2cc(C([O-])=C(C#N)c3nc4[nH]ccc(C)c-4n3)ccc2o1 ZINC000361720652 457828948 /nfs/dbraw/zinc/82/89/48/457828948.db2.gz KYAWZYJJYZCVOS-LBPRGKRZSA-N -1 0 331.335 3.206 20 30 EGEDRM Cc1cc2cccnc2c([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c1 ZINC000427301105 457972328 /nfs/dbraw/zinc/97/23/28/457972328.db2.gz HYGYBTZZMVOSOP-UHFFFAOYSA-N -1 0 341.367 3.355 20 30 EGEDRM Cn1cnc2cc(C([O-])=C(C#N)c3cnc4ccccc4n3)ccc21 ZINC000361974426 457987692 /nfs/dbraw/zinc/98/76/92/457987692.db2.gz QOSMGMMWGATCRQ-CYBMUJFWSA-N -1 0 327.347 3.007 20 30 EGEDRM C=CCCCS(=O)(=O)[N-][C@@](C)(c1ccc(F)cc1)C(F)(F)F ZINC000427772664 458033506 /nfs/dbraw/zinc/03/35/06/458033506.db2.gz GEFKAPMSUNUQCQ-ZDUSSCGKSA-N -1 0 339.354 3.489 20 30 EGEDRM CCOc1ncccc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000362171597 458039135 /nfs/dbraw/zinc/03/91/35/458039135.db2.gz LIJWLEZNPMGHOF-GFCCVEGCSA-N -1 0 335.285 3.384 20 30 EGEDRM COc1nc(C([O-])=C(C#N)c2cc(C)nc(C)n2)cc2ccccc21 ZINC000358649106 458127240 /nfs/dbraw/zinc/12/72/40/458127240.db2.gz KAYUNXCUDJNGSM-OAHLLOKOSA-N -1 0 332.363 3.140 20 30 EGEDRM COc1cc(SC)ccc1[N-]S(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000446632048 458207770 /nfs/dbraw/zinc/20/77/70/458207770.db2.gz RKSXRTWVOOGLHW-UHFFFAOYSA-N -1 0 348.449 3.398 20 30 EGEDRM C=CCN=c1[n-]nc(SC2CC(OCc3ccccc3)C2)s1 ZINC000412975666 458288701 /nfs/dbraw/zinc/28/87/01/458288701.db2.gz GKIGETOKSBFGKO-UHFFFAOYSA-N -1 0 333.482 3.398 20 30 EGEDRM C=C[C@@H]1CCCCN1C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000447575543 458315055 /nfs/dbraw/zinc/31/50/55/458315055.db2.gz YOYQQYAOUDZMHH-CYBMUJFWSA-N -1 0 331.803 3.412 20 30 EGEDRM C[C@H](C#N)CSc1ccccc1[N-]S(=O)(=O)c1cccn1C ZINC000414375372 458318182 /nfs/dbraw/zinc/31/81/82/458318182.db2.gz RMPHIJDDSATZJT-GFCCVEGCSA-N -1 0 335.454 3.078 20 30 EGEDRM C=CCC[C@H](NC(=O)NCCC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000414621380 458324105 /nfs/dbraw/zinc/32/41/05/458324105.db2.gz FWEAZNGDYCAWRY-ZDUSSCGKSA-N -1 0 344.333 3.487 20 30 EGEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1cnn(CCC(C)C)c1C(C)C ZINC000416952750 458358766 /nfs/dbraw/zinc/35/87/66/458358766.db2.gz HCYKTSYHCCJHNP-CYBMUJFWSA-N -1 0 326.466 3.096 20 30 EGEDRM CC(C)(C)Oc1ccc(NC(=O)N2CCC[C@H](C(=O)[O-])C2)cc1C#N ZINC000417800626 458367482 /nfs/dbraw/zinc/36/74/82/458367482.db2.gz YGGWWZOYYQNEFF-LBPRGKRZSA-N -1 0 345.399 3.064 20 30 EGEDRM C=CCOCCCC(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000449003503 458418570 /nfs/dbraw/zinc/41/85/70/458418570.db2.gz PCTHOIYWNAYILW-CQSZACIVSA-N -1 0 346.210 3.218 20 30 EGEDRM C[C@](CC(=O)[O-])(C(=O)NCc1ccc(C#N)s1)C1CCCCC1 ZINC000421802742 458422452 /nfs/dbraw/zinc/42/24/52/458422452.db2.gz HEINKYPPKIRTHO-QGZVFWFLSA-N -1 0 334.441 3.297 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cccc(F)c2C)n1 ZINC000422117885 458425661 /nfs/dbraw/zinc/42/56/61/458425661.db2.gz GXRWFWRBLLUQOH-NSHDSACASA-N -1 0 332.356 3.257 20 30 EGEDRM CC1(C)Cc2cccc(S(=O)(=O)[N-]c3cccc(CC#N)c3)c2O1 ZINC000451118218 458466448 /nfs/dbraw/zinc/46/64/48/458466448.db2.gz XCIMJMDUUIMGBL-UHFFFAOYSA-N -1 0 342.420 3.267 20 30 EGEDRM CCOCc1nc(C)c(C([O-])=C(C#N)c2nc3ccccc3[nH]2)s1 ZINC000453589288 458536875 /nfs/dbraw/zinc/53/68/75/458536875.db2.gz MRJLJKFBLFPOCW-LLVKDONJSA-N -1 0 340.408 3.354 20 30 EGEDRM C=C(CC)CNC(=O)N=c1[n-]nc(SCc2ccccc2)s1 ZINC000454237741 458555694 /nfs/dbraw/zinc/55/56/94/458555694.db2.gz HSMYRIXCRPGXQD-UHFFFAOYSA-N -1 0 334.470 3.340 20 30 EGEDRM N#CCCC[C@H]([NH3+])C(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000424173266 458577350 /nfs/dbraw/zinc/57/73/50/458577350.db2.gz OFCHRDJMNGWBHT-QMMMGPOBSA-N -1 0 336.606 3.312 20 30 EGEDRM C[C@@H](C(=O)N=c1nc(-c2ccsc2)[n-]s1)c1cccc(C#N)c1 ZINC000462066106 458591925 /nfs/dbraw/zinc/59/19/25/458591925.db2.gz DYQATQQTZUHWMB-SNVBAGLBSA-N -1 0 340.433 3.302 20 30 EGEDRM C=CCN(Cc1ccccc1F)C(=O)NCC(CC)(CC)C(=O)[O-] ZINC000424410293 458635403 /nfs/dbraw/zinc/63/54/03/458635403.db2.gz HZIFAPYXZVTCTG-UHFFFAOYSA-N -1 0 336.407 3.414 20 30 EGEDRM N#CCc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc3ccccc3c2)cc1 ZINC000431877690 458638822 /nfs/dbraw/zinc/63/88/22/458638822.db2.gz KVJVWTMOEQMKBH-IBGZPJMESA-N -1 0 344.370 3.462 20 30 EGEDRM Cc1ncc(C([O-])=C(C#N)c2cnc3ccccc3n2)c(C2CC2)n1 ZINC000546678777 458658212 /nfs/dbraw/zinc/65/82/12/458658212.db2.gz CQEWLICLSFOTKN-ZDUSSCGKSA-N -1 0 329.363 3.096 20 30 EGEDRM N#CCC1(CNC(=O)N=c2nc(-c3ccccc3Cl)[n-]s2)CC1 ZINC000432398103 458731203 /nfs/dbraw/zinc/73/12/03/458731203.db2.gz CHHNTPCIVQCMHS-UHFFFAOYSA-N -1 0 347.831 3.096 20 30 EGEDRM CC(C)(C)c1ncc(C([O-])=C(C#N)c2cnc3ccccc3n2)cn1 ZINC000515090495 458805365 /nfs/dbraw/zinc/80/53/65/458805365.db2.gz RYCGRKPCUOPWKE-ZDUSSCGKSA-N -1 0 331.379 3.207 20 30 EGEDRM Cc1ccc2nc(C([O-])=C(C#N)c3nnc4n3CCCCC4)ccc2c1 ZINC000551927656 458889800 /nfs/dbraw/zinc/88/98/00/458889800.db2.gz JNCKMJKLMDJENZ-HNNXBMFYSA-N -1 0 345.406 3.351 20 30 EGEDRM N#C[C@@H]1CC[C@@H](Sc2n[n-]c(=NCCc3ccccc3)s2)C1 ZINC000556235234 458939583 /nfs/dbraw/zinc/93/95/83/458939583.db2.gz YNYWVMIPTBNYGY-ZIAGYGMSSA-N -1 0 330.482 3.399 20 30 EGEDRM C=CCOc1cccc(NC(=O)N[C@@H](C(=O)[O-])c2cccs2)c1 ZINC000519680981 458985172 /nfs/dbraw/zinc/98/51/72/458985172.db2.gz VIUXSPOOENAQGE-CQSZACIVSA-N -1 0 332.381 3.260 20 30 EGEDRM C=C[C@@](C)(CC)C(=O)N=c1nc(Cc2ccc(F)cc2F)[n-]s1 ZINC000467920333 458992129 /nfs/dbraw/zinc/99/21/29/458992129.db2.gz SZJUGJMSRBZNLF-INIZCTEOSA-N -1 0 337.395 3.370 20 30 EGEDRM N#CCc1ccnc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)c1 ZINC000531907406 458998456 /nfs/dbraw/zinc/99/84/56/458998456.db2.gz UIZGFMNJLHGCDC-UHFFFAOYSA-N -1 0 342.207 3.255 20 30 EGEDRM CCO[C@@H](C)c1ncc(C([O-])=C(C#N)c2cc(C)nc(C)n2)s1 ZINC000442645147 459020309 /nfs/dbraw/zinc/02/03/09/459020309.db2.gz ILCVGGMFUSAMNP-CMPLNLGQSA-N -1 0 330.413 3.138 20 30 EGEDRM CC(C)C[C@@H](C#N)NC(=O)c1nn(-c2cccc(C(C)C)c2)cc1[O-] ZINC000590206186 459101304 /nfs/dbraw/zinc/10/13/04/459101304.db2.gz NUMYFCGNMOGPJN-HNNXBMFYSA-N -1 0 340.427 3.369 20 30 EGEDRM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cnc(C(C)C)s3)nc1-2 ZINC000532561886 459110546 /nfs/dbraw/zinc/11/05/46/459110546.db2.gz VXNZUDXBVUYVGS-JTQLQIEISA-N -1 0 325.397 3.336 20 30 EGEDRM C=CCCSCCNC(=O)N(CC(=O)[O-])[C@H](C)c1ccccc1 ZINC000594689949 459131840 /nfs/dbraw/zinc/13/18/40/459131840.db2.gz BRJDVWOJHGKNCG-CQSZACIVSA-N -1 0 336.457 3.153 20 30 EGEDRM C=CCOc1cccc([N-]S(=O)(=O)c2cc(F)c(F)cc2F)c1 ZINC000521539888 459160945 /nfs/dbraw/zinc/16/09/45/459160945.db2.gz ZHCNHKGDPIUMDZ-UHFFFAOYSA-N -1 0 343.326 3.470 20 30 EGEDRM C=CCN(Cc1ccc(Cl)s1)C(=O)N=c1cc(C)c(C)n[n-]1 ZINC000480577832 459205970 /nfs/dbraw/zinc/20/59/70/459205970.db2.gz IFJUXWMNHLGUBK-UHFFFAOYSA-N -1 0 336.848 3.450 20 30 EGEDRM C=CCOc1ccc(C(=O)Nc2cc(C(=O)[O-])cs2)cc1OC ZINC000559382398 459256506 /nfs/dbraw/zinc/25/65/06/459256506.db2.gz HWWNTFWDABQULQ-UHFFFAOYSA-N -1 0 333.365 3.272 20 30 EGEDRM C=CCCSCCNC(=O)c1ccccc1S[C@H](C)C(=O)[O-] ZINC000595244880 459261553 /nfs/dbraw/zinc/26/15/53/459261553.db2.gz NVJSSEHYFDUKIR-GFCCVEGCSA-N -1 0 339.482 3.291 20 30 EGEDRM C=CCC[C@H](NC(=O)N[C@H](C)c1ccccc1OC(F)F)C(=O)[O-] ZINC000568963406 459373249 /nfs/dbraw/zinc/37/32/49/459373249.db2.gz FCJZXIIMVBRDCH-PWSUYJOCSA-N -1 0 342.342 3.068 20 30 EGEDRM CC(C)(C)c1cc([N-]S(=O)(=O)c2cccc(Cl)c2C#N)on1 ZINC000525699017 459479003 /nfs/dbraw/zinc/47/90/03/459479003.db2.gz VTMPCKXVWCYTMF-UHFFFAOYSA-N -1 0 339.804 3.298 20 30 EGEDRM N#Cc1cccc(CCN=c2[n-]nc(Cc3ccc(F)cc3)s2)c1 ZINC000569990926 459543117 /nfs/dbraw/zinc/54/31/17/459543117.db2.gz UVUQLBFWCKKLBQ-UHFFFAOYSA-N -1 0 338.411 3.216 20 30 EGEDRM N#CCC[C@@H](N=c1ccc(OCC(F)(F)F)n[n-]1)c1ccccc1 ZINC000596171408 459546957 /nfs/dbraw/zinc/54/69/57/459546957.db2.gz NARRIUWZPLESLA-CYBMUJFWSA-N -1 0 336.317 3.297 20 30 EGEDRM CC(C)(C)c1nc(=NCCSCc2ccccc2C#N)s[n-]1 ZINC000489318660 459563081 /nfs/dbraw/zinc/56/30/81/459563081.db2.gz IRQSOIHWNAASIS-UHFFFAOYSA-N -1 0 332.498 3.474 20 30 EGEDRM C=CCC(=C(O)Nc1nc(-c2cccnc2)ns1)c1ccccc1 ZINC000489656404 459568978 /nfs/dbraw/zinc/56/89/78/459568978.db2.gz OWRPCPASAOVMJW-OAHLLOKOSA-N -1 0 336.420 3.320 20 30 EGEDRM C=CCC[C@@H](NC(=O)NCc1c(OC)ccc2ccccc21)C(=O)[O-] ZINC000571737937 459572247 /nfs/dbraw/zinc/57/22/47/459572247.db2.gz WFELEAVSMPQYNP-MRXNPFEDSA-N -1 0 342.395 3.067 20 30 EGEDRM N#Cc1cccc(NC(=O)N([C@H](Cc2ccccc2)C(=O)[O-])C2CC2)c1 ZINC000583671023 459577947 /nfs/dbraw/zinc/57/79/47/459577947.db2.gz HXZXYGCFHMRLEU-GOSISDBHSA-N -1 0 349.390 3.250 20 30 EGEDRM C[C@@](C#N)(NC(=O)c1nn(-c2ccccc2)cc1[O-])C1CCCCC1 ZINC000572549540 459580536 /nfs/dbraw/zinc/58/05/36/459580536.db2.gz AYNDKSDTSNWEHI-IBGZPJMESA-N -1 0 338.411 3.170 20 30 EGEDRM CC(C)(C#N)CCS(=O)(=O)[N-]c1cnc(-c2ccccc2)s1 ZINC000572648690 459582650 /nfs/dbraw/zinc/58/26/50/459582650.db2.gz NPYOMVFEPGMKFI-UHFFFAOYSA-N -1 0 335.454 3.492 20 30 EGEDRM N#Cc1cnn(C2CCCC2)c1[N-]S(=O)(=O)CCC1CCCC1 ZINC000562707318 459627726 /nfs/dbraw/zinc/62/77/26/459627726.db2.gz XHOAZLGPZKUKRL-UHFFFAOYSA-N -1 0 336.461 3.192 20 30 EGEDRM C#C[C@H](NC(=O)c1cc([O-])ccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000491699765 459657304 /nfs/dbraw/zinc/65/73/04/459657304.db2.gz UYZLSFRVEJGOMC-AWEZNQCLSA-N -1 0 330.727 3.058 20 30 EGEDRM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)CC1(C#N)CCCCC1 ZINC000596708461 459736917 /nfs/dbraw/zinc/73/69/17/459736917.db2.gz UEEZAPHGYJTZQP-UHFFFAOYSA-N -1 0 344.440 3.219 20 30 EGEDRM C=C[C@@H]1OCC[C@H]1CNc1nc(C)nc2sc(C(=O)[O-])c(C)c21 ZINC000564455958 459773686 /nfs/dbraw/zinc/77/36/86/459773686.db2.gz JEFZAUIPACQOAU-QWRGUYRKSA-N -1 0 333.413 3.009 20 30 EGEDRM N#Cc1cncc(S(=O)(=O)[N-]c2ccccc2OC2CCCC2)c1 ZINC000584725465 459791068 /nfs/dbraw/zinc/79/10/68/459791068.db2.gz GZVWTUYUKADCGP-UHFFFAOYSA-N -1 0 343.408 3.075 20 30 EGEDRM C=CCC1(NC(=O)c2cccc(Br)c2[O-])CCOCC1 ZINC000618249219 459939907 /nfs/dbraw/zinc/93/99/07/459939907.db2.gz KZAWATZQDPZOHV-UHFFFAOYSA-N -1 0 340.217 3.010 20 30 EGEDRM Cn1cc([N+](=O)[O-])cc1C([O-])=C(C#N)c1nc2cc(F)ccc2s1 ZINC000609321835 459943283 /nfs/dbraw/zinc/94/32/83/459943283.db2.gz NDFZIGSNFWDPDG-SNVBAGLBSA-N -1 0 344.327 3.172 20 30 EGEDRM C=CC[C@H]1N(C(=O)c2ccc(OCC(=O)[O-])cc2)CCCC1(C)C ZINC000621540477 459953437 /nfs/dbraw/zinc/95/34/37/459953437.db2.gz ZTKNTERJFDKFQA-MRXNPFEDSA-N -1 0 331.412 3.357 20 30 EGEDRM Cc1[n-][nH]c(=NC(=O)c2sc3cc(C)ccc3c2Cl)c1C#N ZINC000588718017 459974040 /nfs/dbraw/zinc/97/40/40/459974040.db2.gz AOHOXYNFLDBCTM-UHFFFAOYSA-N -1 0 330.800 3.441 20 30 EGEDRM C=C(C)Cn1c(CCc2ccco2)n[n-]c1=Nc1cnn(C(C)C)c1 ZINC000575762240 460000235 /nfs/dbraw/zinc/00/02/35/460000235.db2.gz MSIMUYYLBNBBCC-UHFFFAOYSA-N -1 0 340.431 3.175 20 30 EGEDRM CC[C@@H](C#N)C([O-])=Nc1nc(-c2ccccc2C(F)(F)F)ns1 ZINC000598767413 460027979 /nfs/dbraw/zinc/02/79/79/460027979.db2.gz JQKPCVQAEPFPEW-QMMMGPOBSA-N -1 0 340.330 3.134 20 30 EGEDRM C=C(C)COc1cccc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC000589438755 460087949 /nfs/dbraw/zinc/08/79/49/460087949.db2.gz CYAORTDIAQIAGS-UHFFFAOYSA-N -1 0 347.392 3.141 20 30 EGEDRM N#CCc1cccc(S(=O)(=O)[N-]c2n[nH]c3c2cccc3Cl)c1 ZINC000589587448 460105723 /nfs/dbraw/zinc/10/57/23/460105723.db2.gz SGHBAPNBFDNKER-UHFFFAOYSA-N -1 0 346.799 3.083 20 30 EGEDRM CCCN(C(=O)N=c1[n-]n(C)cc1C#N)[C@H](CC)c1ccccc1 ZINC000610561138 460183926 /nfs/dbraw/zinc/18/39/26/460183926.db2.gz PQTDJPDOWZLMAS-MRXNPFEDSA-N -1 0 325.416 3.109 20 30 EGEDRM Cn1cc(C#N)c(=NC(=O)N2CCCCC[C@H]2/C=C/c2ccccc2)[n-]1 ZINC000610655660 460205709 /nfs/dbraw/zinc/20/57/09/460205709.db2.gz DSVXOYBRTWVYMM-DXRVJIQQSA-N -1 0 349.438 3.204 20 30 EGEDRM CCCc1ccc(NS(=O)(=O)c2ccc(C#N)cc2)c(C(=O)[O-])c1 ZINC000603977405 460366539 /nfs/dbraw/zinc/36/65/39/460366539.db2.gz YBAHDEHYXUQLAQ-UHFFFAOYSA-N -1 0 344.392 3.010 20 30 EGEDRM C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H]1CCC[C@@H]1C(=O)[O-] ZINC000601987405 460972973 /nfs/dbraw/zinc/97/29/73/460972973.db2.gz WVCQCADFLNSSOT-UPJWGTAASA-N -1 0 332.425 3.378 20 30 EGEDRM C=C(C)C[C@H](NC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1)C(=O)[O-] ZINC000630320443 461094864 /nfs/dbraw/zinc/09/48/64/461094864.db2.gz WQIMDPKMOKGMBU-UGSOOPFHSA-N -1 0 341.407 3.488 20 30 EGEDRM C=CCC1(NC(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)CCCC1 ZINC000659412700 461337064 /nfs/dbraw/zinc/33/70/64/461337064.db2.gz RQMZXBWMGJTLIY-GOSISDBHSA-N -1 0 330.428 3.217 20 30 EGEDRM C=CCC[C@H](NC(=O)NCc1cccc(Cl)c1Cl)C(=O)[O-] ZINC000663271596 461537623 /nfs/dbraw/zinc/53/76/23/461537623.db2.gz OPQORJGVCCPLLY-NSHDSACASA-N -1 0 331.199 3.212 20 30 EGEDRM Cn1nc(C(F)(F)F)cc1C([O-])=C(C#N)c1nc(C2CC2)cs1 ZINC000647380002 461669750 /nfs/dbraw/zinc/66/97/50/461669750.db2.gz BZPTWDVFFUCVMU-MRVPVSSYSA-N -1 0 340.330 3.263 20 30 EGEDRM C=CC[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC000656717964 461855867 /nfs/dbraw/zinc/85/58/67/461855867.db2.gz NSUFPQOQQBNNGY-LLVKDONJSA-N -1 0 343.832 3.015 20 30 EGEDRM C=CCC[C@H](NC(=O)NCc1ccccc1OC1CCCC1)C(=O)[O-] ZINC000654795174 462385007 /nfs/dbraw/zinc/38/50/07/462385007.db2.gz RKBSAOPFITUQTJ-INIZCTEOSA-N -1 0 346.427 3.227 20 30 EGEDRM Cc1cc(C(C#N)=C([O-])c2cc(C3CC3)n(C(C)(C)C)n2)nc(C)n1 ZINC000049408094 525443684 /nfs/dbraw/zinc/44/36/84/525443684.db2.gz DSDXBELJRSITPJ-CQSZACIVSA-N -1 0 337.427 3.412 20 30 EGEDRM N#CC(=C([O-])c1ncn(-c2ccccc2)n1)c1ccc2ccccc2n1 ZINC000678173246 549418880 /nfs/dbraw/zinc/41/88/80/549418880.db2.gz WNOFYTDKWSFTQJ-MRXNPFEDSA-N -1 0 339.358 3.306 20 30 EGEDRM N#CC(=C([O-])c1cnn(CCF)c1)c1nc2cc(F)ccc2s1 ZINC000685148176 550400688 /nfs/dbraw/zinc/40/06/88/550400688.db2.gz PUSFHRBAUFMZKU-LLVKDONJSA-N -1 0 332.335 3.091 20 30 EGEDRM Cc1cc(C)cc(N(CCC#N)C(=O)CSC[C@H](C)C(=O)[O-])c1 ZINC000738364791 574610669 /nfs/dbraw/zinc/61/06/69/574610669.db2.gz VGPJGMXTDWVMHW-AWEZNQCLSA-N -1 0 334.441 3.004 20 30 EGEDRM O=C([O-])C(=O)/C(=C\c1ccc2c(c1)CCO2)c1ccc2ccccc2n1 ZINC000728156972 574722923 /nfs/dbraw/zinc/72/29/23/574722923.db2.gz PMPBRPFSMVQQDO-VBKFSLOCSA-N -1 0 345.354 3.364 20 30 EGEDRM Cc1cc(SC[C@H](C)C(=O)[O-])n2c3ccccc3nc2c1C#N ZINC000738481598 574727011 /nfs/dbraw/zinc/72/70/11/574727011.db2.gz JOFDRXWMHZCKDZ-NSHDSACASA-N -1 0 325.393 3.480 20 30 EGEDRM O=C(/C=C/c1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccc([O-])c(F)c1 ZINC000728438234 574749349 /nfs/dbraw/zinc/74/93/49/574749349.db2.gz CHPBRIZCIRWPLM-HNQUOIGGSA-N -1 0 345.282 3.107 20 30 EGEDRM C[C@H]1c2c(c(O)ccc2F)C(=O)/C1=C\c1ccc(OCC(=O)[O-])cc1 ZINC000730590661 575004149 /nfs/dbraw/zinc/00/41/49/575004149.db2.gz QIFOVEQXMVRDCY-GARZTLJTSA-N -1 0 342.322 3.378 20 30 EGEDRM Cc1ccc(O[C@@H](C)C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000738640278 575005545 /nfs/dbraw/zinc/00/55/45/575005545.db2.gz XMMZNLHNPOMPCE-GUYCJALGSA-N -1 0 339.347 3.003 20 30 EGEDRM COc1ccc(C(=O)/C=C/c2cccc(F)c2F)cc1CC(=O)[O-] ZINC000730729839 575013299 /nfs/dbraw/zinc/01/32/99/575013299.db2.gz OQYKCLCYKHEJJY-FNORWQNLSA-N -1 0 332.302 3.497 20 30 EGEDRM Cc1ccc(F)c2c1C(=N[N-]c1oc(C(C)(C)C)nc1C#N)C(=O)N2 ZINC000732712189 575283982 /nfs/dbraw/zinc/28/39/82/575283982.db2.gz UJGUMYCELJRDBW-UHFFFAOYSA-N -1 0 341.346 3.060 20 30 EGEDRM CC(=O)NCc1ccc(N=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC000733081479 575305990 /nfs/dbraw/zinc/30/59/90/575305990.db2.gz ZPJNORHOHWQROA-UHFFFAOYSA-N -1 0 347.758 3.341 20 30 EGEDRM C#Cc1cccc(N(CC)CC(=O)Nc2cc(C(=O)[O-])ccc2C)c1 ZINC000736090557 575898525 /nfs/dbraw/zinc/89/85/25/575898525.db2.gz CAFGIOYMIRWCQZ-UHFFFAOYSA-N -1 0 336.391 3.140 20 30 EGEDRM C=CCOc1ccc(C(=O)N(C)[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000736109293 575899189 /nfs/dbraw/zinc/89/91/89/575899189.db2.gz GCFYMVQCILDTRV-QGZVFWFLSA-N -1 0 325.364 3.149 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@H]1Cc2ccccc21 ZINC000736113870 575900152 /nfs/dbraw/zinc/90/01/52/575900152.db2.gz CLUVNFPUIGPSRF-INIZCTEOSA-N -1 0 338.359 3.367 20 30 EGEDRM C=CCn1c(S[C@H](C(=O)[O-])c2ccc(C#N)cc2)nnc1C1CC1 ZINC000736118488 575901412 /nfs/dbraw/zinc/90/14/12/575901412.db2.gz UESMRPDLAOXZRL-AWEZNQCLSA-N -1 0 340.408 3.131 20 30 EGEDRM C/C(=C/C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1cccc(F)c1 ZINC000736121824 575902583 /nfs/dbraw/zinc/90/25/83/575902583.db2.gz UVMZYDYHJAIRPL-DVESRUBUSA-N -1 0 339.322 3.470 20 30 EGEDRM C[C@@H](CC#N)Sc1ccccc1NC(=O)CCCN(C)C(=O)[O-] ZINC000736545502 575982137 /nfs/dbraw/zinc/98/21/37/575982137.db2.gz QLHMHFRJPIFKSK-LBPRGKRZSA-N -1 0 335.429 3.409 20 30 EGEDRM C[C@H](CC(=O)[O-])SCC(=O)C=C1N(C)c2ccccc2C1(C)C ZINC000736551887 575983117 /nfs/dbraw/zinc/98/31/17/575983117.db2.gz LOJDEBQMCWONEB-YUSFRKCESA-N -1 0 333.453 3.463 20 30 EGEDRM C[C@@H]1CN([C@H](C(=O)[O-])c2ccc(C#N)cc2)C[C@@H](c2ccccc2)O1 ZINC000736806005 576036053 /nfs/dbraw/zinc/03/60/53/576036053.db2.gz GUCTZRLHTSXCDN-CCKFTAQKSA-N -1 0 336.391 3.146 20 30 EGEDRM CC[C@@H](C(=O)[O-])N(C(=O)/C=C\c1ccccc1C#N)c1ccccc1 ZINC000736848643 576047267 /nfs/dbraw/zinc/04/72/67/576047267.db2.gz NYGKBUPSIXMPPU-SQVRQVGWSA-N -1 0 334.375 3.468 20 30 EGEDRM CCOc1ccc(N(CCC#N)C(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000737204547 576136113 /nfs/dbraw/zinc/13/61/13/576136113.db2.gz VMWTVDQVZGNKPV-UHFFFAOYSA-N -1 0 338.363 3.344 20 30 EGEDRM CN(CCCC(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC000737418849 576224689 /nfs/dbraw/zinc/22/46/89/576224689.db2.gz TURHFEFKZFYJBU-OAHLLOKOSA-N -1 0 331.416 3.055 20 30 EGEDRM CN(CCCC(=O)Nc1cccc(C#Cc2ccccc2)c1)C(=O)[O-] ZINC000737431392 576228138 /nfs/dbraw/zinc/22/81/38/576228138.db2.gz UEGDEXYATAJSJC-UHFFFAOYSA-N -1 0 336.391 3.415 20 30 EGEDRM C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000737534613 576242217 /nfs/dbraw/zinc/24/22/17/576242217.db2.gz TWAAGFSBQSOQHZ-UHFFFAOYSA-N -1 0 349.390 3.405 20 30 EGEDRM N#Cc1ccc(-n2nccc2NC(=O)c2ccc(NC(=O)[O-])cc2)cc1 ZINC000738430288 576324748 /nfs/dbraw/zinc/32/47/48/576324748.db2.gz IEZIUUWXOZTWFO-UHFFFAOYSA-N -1 0 347.334 3.086 20 30 EGEDRM N#Cc1ccc(Nc2cccc(C(=O)N3CCC[C@@H](C(=O)[O-])C3)c2)cc1 ZINC000738431185 576325262 /nfs/dbraw/zinc/32/52/62/576325262.db2.gz RHKRWXHYEQXQAJ-MRXNPFEDSA-N -1 0 349.390 3.239 20 30 EGEDRM Cc1ccc(C(=O)[O-])cc1NC(=O)NCc1ccc(C#N)cc1F ZINC000738536009 576335639 /nfs/dbraw/zinc/33/56/39/576335639.db2.gz XWVLTTNBSABXST-UHFFFAOYSA-N -1 0 327.315 3.026 20 30 EGEDRM Cc1ccc(F)c(N=C2NN=C(c3cc(C(=O)[O-])co3)CS2)c1 ZINC000738603641 576341020 /nfs/dbraw/zinc/34/10/20/576341020.db2.gz OBUYKCBSTQIGQV-UHFFFAOYSA-N -1 0 333.344 3.154 20 30 EGEDRM Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2cccc(NC(=O)[O-])c2)c1 ZINC000738733185 576356738 /nfs/dbraw/zinc/35/67/38/576356738.db2.gz QEJQEMVSVFDCLU-OAHLLOKOSA-N -1 0 337.335 3.046 20 30 EGEDRM Cn1c(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc2ccccc21 ZINC000739013120 576374023 /nfs/dbraw/zinc/37/40/23/576374023.db2.gz WANIKQZGNIKMIY-KRWDZBQOSA-N -1 0 334.331 3.033 20 30 EGEDRM N#CCOc1ccc(COC(=O)c2ccccc2NC(=O)[O-])cc1 ZINC000739089097 576377503 /nfs/dbraw/zinc/37/75/03/576377503.db2.gz YOBBPARFCGVHTR-UHFFFAOYSA-N -1 0 326.308 3.036 20 30 EGEDRM N#Cc1c(NC(=O)c2cccc(NC(=O)[O-])c2)sc2c1CCC2 ZINC000739093363 576377623 /nfs/dbraw/zinc/37/76/23/576377623.db2.gz QKVXHEKGOJYGKC-UHFFFAOYSA-N -1 0 327.365 3.451 20 30 EGEDRM N#Cc1cc(NCc2ccc(C(=O)[O-])cc2)nc2ccc([N+](=O)[O-])cc12 ZINC000739099371 576377838 /nfs/dbraw/zinc/37/78/38/576377838.db2.gz VWWDFYPCQFYCJO-UHFFFAOYSA-N -1 0 348.318 3.325 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)C(F)(F)c2ccc(F)cc2)C(=O)[O-])cc1 ZINC000739111418 576378499 /nfs/dbraw/zinc/37/84/99/576378499.db2.gz VLGQVVDRJOHUHK-AWEZNQCLSA-N -1 0 349.264 3.158 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)Cc2ccccc2Cl)C(=O)[O-])cc1 ZINC000739114673 576378674 /nfs/dbraw/zinc/37/86/74/576378674.db2.gz KBQIOQDBWOIJRQ-INIZCTEOSA-N -1 0 329.739 3.123 20 30 EGEDRM N#Cc1ccc([C@@H](Sc2ncn(-c3ccccc3)n2)C(=O)[O-])cc1 ZINC000739118327 576378980 /nfs/dbraw/zinc/37/89/80/576378980.db2.gz QLOQUJXKCGUTHO-OAHLLOKOSA-N -1 0 336.376 3.057 20 30 EGEDRM N#Cc1ccc(Oc2cccc(C(=O)N3CCC[C@H]3C(=O)[O-])c2)cc1 ZINC000739129986 576379278 /nfs/dbraw/zinc/37/92/78/576379278.db2.gz IPCGVAOODJCQDE-KRWDZBQOSA-N -1 0 336.347 3.040 20 30 EGEDRM N#Cc1ccccc1-c1ccccc1C(=O)N[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739139915 576379533 /nfs/dbraw/zinc/37/95/33/576379533.db2.gz LWZKNRRODIUBOS-OAHLLOKOSA-N -1 0 349.390 3.097 20 30 EGEDRM N#Cc1ccc2c(c1)CC/C(=C/c1ccc(OCC(=O)[O-])cc1)C2=O ZINC000742438128 576784283 /nfs/dbraw/zinc/78/42/83/576784283.db2.gz SQXPQRGINONCSZ-SXGWCWSVSA-N -1 0 333.343 3.234 20 30 EGEDRM CCCCCCCCOCC(=O)[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000744004189 576818790 /nfs/dbraw/zinc/81/87/90/576818790.db2.gz XAAZKTPIBFYUTC-UHFFFAOYSA-N -1 0 341.473 3.177 20 30 EGEDRM C[C@H](Oc1cccc(C(=O)/C=C\c2ccc3c(c2)CCO3)c1)C(=O)[O-] ZINC000745022137 576838669 /nfs/dbraw/zinc/83/86/69/576838669.db2.gz XLGJJSFIPQMARI-VGVVRCBHSA-N -1 0 338.359 3.370 20 30 EGEDRM COc1ccc(C(=O)/C=C/c2cccc(C(=O)[O-])c2)cc1NC(C)=O ZINC000774137047 598201693 /nfs/dbraw/zinc/20/16/93/598201693.db2.gz FJHPCRRKFXVMTE-SOFGYWHQSA-N -1 0 339.347 3.248 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000819865126 598222039 /nfs/dbraw/zinc/22/20/39/598222039.db2.gz HWEYXBUKPNEJJK-HNNXBMFYSA-N -1 0 349.799 3.407 20 30 EGEDRM C[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1cc(Cl)ccc1Cl ZINC000820114170 598223660 /nfs/dbraw/zinc/22/36/60/598223660.db2.gz KUZXRTXEWOEBAJ-RMLUDKJBSA-N -1 0 329.183 3.175 20 30 EGEDRM C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC000820107299 598226121 /nfs/dbraw/zinc/22/61/21/598226121.db2.gz GPFDKTAJDMZKRG-BJOHPYRUSA-N -1 0 343.210 3.045 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(Cl)cc1Br ZINC000819848435 598230433 /nfs/dbraw/zinc/23/04/33/598230433.db2.gz SKYZLLWHCFOVQX-GFCCVEGCSA-N -1 0 345.580 3.046 20 30 EGEDRM C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000263493960 600482481 /nfs/dbraw/zinc/48/24/81/600482481.db2.gz PYAUJZOBQWNOHG-QWHCGFSZSA-N -1 0 347.440 3.409 20 30 EGEDRM C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000237570394 600549000 /nfs/dbraw/zinc/54/90/00/600549000.db2.gz VEDNYJCFNLHYBO-SNVBAGLBSA-N -1 0 345.317 3.063 20 30 EGEDRM N#Cc1ccccc1Oc1ccc(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])cc1F ZINC000833076969 600962155 /nfs/dbraw/zinc/96/21/55/600962155.db2.gz UYFMTDBKLNQQBF-STQMWFEESA-N -1 0 340.310 3.149 20 30 EGEDRM COc1ccc(C=Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)cc1C#N ZINC000737982738 600983266 /nfs/dbraw/zinc/98/32/66/600983266.db2.gz NMZTWWCRGMKBLM-XVNBXDOJSA-N -1 0 347.330 3.084 20 30 EGEDRM C#CCOc1cc(F)ccc1NC(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000825626146 601032492 /nfs/dbraw/zinc/03/24/92/601032492.db2.gz VKXJJYYKXHLORA-UHFFFAOYSA-N -1 0 342.326 3.109 20 30 EGEDRM O=C([O-])c1ccc(C(=O)Nc2ccccc2C#Cc2ccccc2)cn1 ZINC000833160263 601068582 /nfs/dbraw/zinc/06/85/82/601068582.db2.gz DHGYUFDATUFVFS-UHFFFAOYSA-N -1 0 342.354 3.432 20 30 EGEDRM N#Cc1ccsc1C(=O)N1C[C@@H](C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000833076322 601084796 /nfs/dbraw/zinc/08/47/96/601084796.db2.gz BTGHHVLSRLXXJD-UONOGXRCSA-N -1 0 332.425 3.115 20 30 EGEDRM C=CCOc1ccc(C(=O)O[C@@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000825699320 601098834 /nfs/dbraw/zinc/09/88/34/601098834.db2.gz XDCHXZXOGXXWMU-MRXNPFEDSA-N -1 0 330.311 3.373 20 30 EGEDRM N#Cc1nc(NC[C@H](Cc2cccc(F)c2)C(=O)[O-])ccc1Cl ZINC000833079869 601252392 /nfs/dbraw/zinc/25/23/92/601252392.db2.gz ZZFYWVRZDCZWAY-NSHDSACASA-N -1 0 333.750 3.101 20 30 EGEDRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)Cc1cccc(C#N)c1 ZINC000827041688 601281164 /nfs/dbraw/zinc/28/11/64/601281164.db2.gz GCSPNCRCDMDEBY-UHFFFAOYSA-N -1 0 338.363 3.225 20 30 EGEDRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(C#N)s2)cc1 ZINC000832777294 601283155 /nfs/dbraw/zinc/28/31/55/601283155.db2.gz HGNQATUBSFOZSR-CYBMUJFWSA-N -1 0 346.433 3.287 20 30 EGEDRM O=C([O-])c1ccc(/C=C2\Oc3ccc(Br)cc3C2=O)[nH]1 ZINC000833312691 601332292 /nfs/dbraw/zinc/33/22/92/601332292.db2.gz TWBLIMPPHCTVNC-SDQBBNPISA-N -1 0 334.125 3.092 20 30 EGEDRM N#Cc1cccc([C@H](OC(=O)c2cc3c(s2)CCCC3)C(=O)[O-])c1 ZINC000833076061 601343651 /nfs/dbraw/zinc/34/36/51/601343651.db2.gz HURRFILICNNGMG-INIZCTEOSA-N -1 0 341.388 3.481 20 30 EGEDRM C/C(=C\C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(F)cc1 ZINC000825724870 601350524 /nfs/dbraw/zinc/35/05/24/601350524.db2.gz WJRYQDQMOKWFOP-ZPHJMFTNSA-N -1 0 339.322 3.470 20 30 EGEDRM CC(C)Cc1nc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cs1 ZINC000826912587 601350632 /nfs/dbraw/zinc/35/06/32/601350632.db2.gz CCUOFQRNFVLAHC-OAHLLOKOSA-N -1 0 344.392 3.196 20 30 EGEDRM CSc1ccsc1C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832790597 601352790 /nfs/dbraw/zinc/35/27/90/601352790.db2.gz NLMBZSFIYVBNRS-LBPRGKRZSA-N -1 0 333.390 3.324 20 30 EGEDRM O=C([O-])C[C@H](/N=C\c1ccc(O)c(O)c1O)c1ccc(Cl)cc1 ZINC000833264531 601366245 /nfs/dbraw/zinc/36/62/45/601366245.db2.gz CQHSJILZDQZVHH-QTPLJXKRSA-N -1 0 335.743 3.092 20 30 EGEDRM O=C([O-])[C@H]1Cc2ccccc2CN1CC#Cc1ccc(Cl)cc1 ZINC000833194625 601411343 /nfs/dbraw/zinc/41/13/43/601411343.db2.gz JEKKLDJHEAWDPY-GOSISDBHSA-N -1 0 325.795 3.203 20 30 EGEDRM O=C([O-])[C@@H]1Cc2ccccc2CN1CC#Cc1ccc(Cl)cc1 ZINC000833194626 601411533 /nfs/dbraw/zinc/41/15/33/601411533.db2.gz JEKKLDJHEAWDPY-SFHVURJKSA-N -1 0 325.795 3.203 20 30 EGEDRM C=CCCO[C@@H](C)C(=O)Oc1ccc2c(c1)c(C(=O)[O-])c(C)n2C ZINC000825675769 601450424 /nfs/dbraw/zinc/45/04/24/601450424.db2.gz FHCLIFQUGOQNJM-LBPRGKRZSA-N -1 0 331.368 3.072 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)C/C=C\c2ccc(F)cc2)C(=O)[O-])cc1 ZINC000833073111 601470974 /nfs/dbraw/zinc/47/09/74/601470974.db2.gz VTHQLBHDFREAKT-LPQSXRFUSA-N -1 0 339.322 3.470 20 30 EGEDRM O=C([O-])c1cc(/C=C2\Oc3ccc(Br)cc3C2=O)c[nH]1 ZINC000833297488 601793349 /nfs/dbraw/zinc/79/33/49/601793349.db2.gz GVGNAYZNCDXQBJ-QCDXTXTGSA-N -1 0 334.125 3.092 20 30 EGEDRM N#C[C@H](OC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1)C1CC1 ZINC000833064710 602039286 /nfs/dbraw/zinc/03/92/86/602039286.db2.gz MVQJFGYZECDHJO-NSHDSACASA-N -1 0 328.246 3.254 20 30 EGEDRM C[C@H](Oc1ccc(C=NNCCCc2ccccc2)cc1)C(=O)[O-] ZINC000794904817 602073839 /nfs/dbraw/zinc/07/38/39/602073839.db2.gz MBUHNDPCIWFWJE-HNNXBMFYSA-N -1 0 326.396 3.095 20 30 EGEDRM C[C@H](Oc1ccc(/C=C\C(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)[O-] ZINC000794690121 602105063 /nfs/dbraw/zinc/10/50/63/602105063.db2.gz ICBOBNBNVLPJAS-UMAGTOLTSA-N -1 0 341.319 3.343 20 30 EGEDRM COc1cc(OC)cc([C@H](Nc2ccc(CC#N)cc2)C(=O)[O-])c1 ZINC000832067504 602164975 /nfs/dbraw/zinc/16/49/75/602164975.db2.gz QSUVIYRKGKSNQW-KRWDZBQOSA-N -1 0 326.352 3.008 20 30 EGEDRM C[C@H](Oc1ccc(C=NNCc2ccc(Cl)cc2)cc1)C(=O)[O-] ZINC000794917935 602180033 /nfs/dbraw/zinc/18/00/33/602180033.db2.gz MQIIAVQYFTUNNL-LBPRGKRZSA-N -1 0 332.787 3.316 20 30 EGEDRM C[C@@H](Oc1ccc(C=NNCc2cnc3ccccc3c2)cc1)C(=O)[O-] ZINC000794918649 602183927 /nfs/dbraw/zinc/18/39/27/602183927.db2.gz VGDSTURZWYSKIE-CQSZACIVSA-N -1 0 349.390 3.210 20 30 EGEDRM C=CCC[C@H](NC(=O)NCc1ccc(C(=O)[O-])o1)c1ccccc1 ZINC000825664743 604519673 /nfs/dbraw/zinc/51/96/73/604519673.db2.gz KBAIMDLZMFPSGE-HNNXBMFYSA-N -1 0 328.368 3.485 20 30 EGEDRM CC(C)Oc1ccccc1C(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC000833507473 604583060 /nfs/dbraw/zinc/58/30/60/604583060.db2.gz OSCCRZQLSGKPRM-UHFFFAOYSA-N -1 0 339.347 3.401 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@@H](C)C1CCOCC1 ZINC000833378907 604606549 /nfs/dbraw/zinc/60/65/49/604606549.db2.gz XIYALRHBLBLHQY-LBPRGKRZSA-N -1 0 348.395 3.090 20 30 EGEDRM Cc1cc(CNc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)nn1C ZINC000832884961 604643611 /nfs/dbraw/zinc/64/36/11/604643611.db2.gz HKVWQGRSRYHIOX-UHFFFAOYSA-N -1 0 345.402 3.439 20 30 EGEDRM Cc1oc(CN(C)C(=O)Nc2ccc(C#N)cc2Cl)cc1C(=O)[O-] ZINC000833025515 604963446 /nfs/dbraw/zinc/96/34/46/604963446.db2.gz LMPMSTOTNYAJAK-UHFFFAOYSA-N -1 0 347.758 3.475 20 30 EGEDRM C=CCn1c(Cc2ccccc2)nnc1S[C@H](C(=O)[O-])C1CC1 ZINC000833379820 605071722 /nfs/dbraw/zinc/07/17/22/605071722.db2.gz MTTRCFKNBADDCQ-HNNXBMFYSA-N -1 0 329.425 3.010 20 30 EGEDRM O=C([O-])c1ccccc1NN=Cc1ccc(O)c(Br)c1 ZINC000812444902 605099020 /nfs/dbraw/zinc/09/90/20/605099020.db2.gz INDIKACLWLQZHF-UHFFFAOYSA-N -1 0 335.157 3.299 20 30 EGEDRM C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cc(C)[nH]c1C(=O)[O-] ZINC000833375590 605126940 /nfs/dbraw/zinc/12/69/40/605126940.db2.gz AJQZEJCAZZJYJA-UHFFFAOYSA-N -1 0 338.367 3.113 20 30 EGEDRM C=CC[C@H](C)NC(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000163121202 605131415 /nfs/dbraw/zinc/13/14/15/605131415.db2.gz BKVLGPQNIKDQDU-QMMMGPOBSA-N -1 0 327.178 3.233 20 30 EGEDRM C=CCn1c(S[C@H](Cc2ccc(F)cc2)C(=O)[O-])nnc1C1CC1 ZINC000833380903 605334222 /nfs/dbraw/zinc/33/42/22/605334222.db2.gz SHZHAUQFRZEDDJ-CQSZACIVSA-N -1 0 347.415 3.269 20 30 EGEDRM CCOc1ccc(C=NOCc2ccccc2C(=O)[O-])cc1OC ZINC000833663078 605353783 /nfs/dbraw/zinc/35/37/83/605353783.db2.gz HVAWLYCNOARWME-UHFFFAOYSA-N -1 0 329.352 3.343 20 30 EGEDRM C=CCN(CCc1ccco1)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000833374547 605474632 /nfs/dbraw/zinc/47/46/32/605474632.db2.gz PRHDFIWLTCRZRQ-UHFFFAOYSA-N -1 0 327.380 3.168 20 30 EGEDRM CC(=NNc1cccc(C(=O)[O-])c1)c1cnn(-c2ccccn2)c1C ZINC000748246360 605592343 /nfs/dbraw/zinc/59/23/43/605592343.db2.gz NCYUXEFGJXCEFL-UHFFFAOYSA-N -1 0 335.367 3.110 20 30 EGEDRM C[C@@H]1CC[C@@H](C(F)(F)F)CN1Cc1cccc(C(=O)[O-])c1C#N ZINC000833606733 605701004 /nfs/dbraw/zinc/70/10/04/605701004.db2.gz UZGLYHJHXMKJQR-ZYHUDNBSSA-N -1 0 326.318 3.419 20 30 EGEDRM CC1(C#N)CCN(C(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)CC1 ZINC000833551491 605715132 /nfs/dbraw/zinc/71/51/32/605715132.db2.gz MJCBLCLJIIDGPK-UHFFFAOYSA-N -1 0 347.440 3.483 20 30 EGEDRM COc1ccc(C(=O)/C=C/c2ccc([O-])c([N+](=O)[O-])c2)cc1OC ZINC000035609993 1291393406 /nfs/dbraw/zinc/39/34/06/1291393406.db2.gz CVXZBGKTIMBHMQ-ZZXKWVIFSA-N -1 0 329.308 3.214 20 30 EGEDRM O=C(CC1CCCCC1)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000042234065 1291437233 /nfs/dbraw/zinc/43/72/33/1291437233.db2.gz FMLYWIAETKRLHP-UHFFFAOYSA-N -1 0 326.374 3.210 20 30 EGEDRM O=C([N-]S(=O)(=O)c1cccs1)c1csc2c1CCCC2 ZINC000042244328 1291438526 /nfs/dbraw/zinc/43/85/26/1291438526.db2.gz SAVWWXURFRIGEN-UHFFFAOYSA-N -1 0 327.452 3.382 20 30 EGEDRM Cc1cc(OCC(=O)[N-]S(=O)(=O)c2cccnc2)ccc1C(C)C ZINC000042322031 1291440814 /nfs/dbraw/zinc/44/08/14/1291440814.db2.gz KEHIKOJZUAYVEC-UHFFFAOYSA-N -1 0 348.424 3.238 20 30 EGEDRM COc1ccc(Cl)cc1C(=O)[N-]S(=O)(=O)c1ccccc1 ZINC000046708697 1291552037 /nfs/dbraw/zinc/55/20/37/1291552037.db2.gz VDJMXZUMFZBXQB-UHFFFAOYSA-N -1 0 325.773 3.042 20 30 EGEDRM CCCc1nc(C)c(C(=O)[N-]S(=O)(=O)c2ccc(C)cc2)s1 ZINC000048422944 1291604564 /nfs/dbraw/zinc/60/45/64/1291604564.db2.gz MKMGNECGGQWVHP-UHFFFAOYSA-N -1 0 338.454 3.406 20 30 EGEDRM O=C(COC1CCCCC1)[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000048496221 1291607798 /nfs/dbraw/zinc/60/77/98/1291607798.db2.gz WMLIBLJPUCBPMK-UHFFFAOYSA-N -1 0 331.821 3.335 20 30 EGEDRM Cc1noc(C)c1C(=O)[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000048514526 1291608146 /nfs/dbraw/zinc/60/81/46/1291608146.db2.gz DQRQMWPCVPDLFE-UHFFFAOYSA-N -1 0 348.302 3.004 20 30 EGEDRM CC[C@H](C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1)c1ccccc1 ZINC000048496900 1291608292 /nfs/dbraw/zinc/60/82/92/1291608292.db2.gz AGBAAMONEJEIKS-INIZCTEOSA-N -1 0 328.393 3.397 20 30 EGEDRM C[C@@H](OCc1ccccc1)C(=O)[N-]S(=O)(=O)c1ccccc1F ZINC000048592710 1291612150 /nfs/dbraw/zinc/61/21/50/1291612150.db2.gz PPXFEHWPKYDXIA-GFCCVEGCSA-N -1 0 337.372 3.076 20 30 EGEDRM C[C@@H](CC(=O)[N-]S(=O)(=O)c1cccc(C#N)c1)c1ccccc1 ZINC000048598079 1291612459 /nfs/dbraw/zinc/61/24/59/1291612459.db2.gz QJESUDQSMLKFHE-ZDUSSCGKSA-N -1 0 328.393 3.397 20 30 EGEDRM Cc1ccoc1C(=O)[N-]S(=O)(=O)c1ccccc1Br ZINC000048610094 1291613773 /nfs/dbraw/zinc/61/37/73/1291613773.db2.gz TYSJUMMWARNLAB-UHFFFAOYSA-N -1 0 344.186 3.044 20 30 EGEDRM CCCOCC(=O)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000049178121 1291625295 /nfs/dbraw/zinc/62/52/95/1291625295.db2.gz APWAQFGLHARSSX-UHFFFAOYSA-N -1 0 326.201 3.065 20 30 EGEDRM C[C@@H](OCc1ccccc1)C(=O)[N-]S(=O)(=O)C1CCCCC1 ZINC000058076801 1291878457 /nfs/dbraw/zinc/87/84/57/1291878457.db2.gz VMZZWPUUJGEXFU-CYBMUJFWSA-N -1 0 325.430 3.211 20 30 EGEDRM N#Cc1cccc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000064695852 1292063589 /nfs/dbraw/zinc/06/35/89/1292063589.db2.gz QFZSYHHTBGKGCS-UHFFFAOYSA-N -1 0 338.747 3.044 20 30 EGEDRM CCOc1ccccc1C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000071794463 1292268815 /nfs/dbraw/zinc/26/88/15/1292268815.db2.gz PEPUDGYHANSBCN-UHFFFAOYSA-N -1 0 339.800 3.432 20 30 EGEDRM CCC[C@@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)c1cnn(C)c1 ZINC000073087628 1292305369 /nfs/dbraw/zinc/30/53/69/1292305369.db2.gz BMWAEUGJTJCINZ-AWEZNQCLSA-N -1 0 341.477 3.452 20 30 EGEDRM CCOc1cc(C/N=C/c2cc([N+](=O)[O-])ccc2[O-])ccc1OC ZINC000074374366 1292346657 /nfs/dbraw/zinc/34/66/57/1292346657.db2.gz RRGGCEAMEXDXSK-WOJGMQOQSA-N -1 0 330.340 3.327 20 30 EGEDRM COc1cccc2cc(C(=O)[N-]S(=O)(=O)c3ccccc3F)oc21 ZINC000075799380 1292411216 /nfs/dbraw/zinc/41/12/16/1292411216.db2.gz ZBIRTJNCJJHVCA-UHFFFAOYSA-N -1 0 349.339 3.274 20 30 EGEDRM CCCCCCCS(=O)(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000829711078 1292608156 /nfs/dbraw/zinc/60/81/56/1292608156.db2.gz AKVSBLACCJJXME-OAHLLOKOSA-N -1 0 345.436 3.231 20 30 EGEDRM C=CCN(Cc1ccccc1)C(=O)CSc1n[n-]c(=S)s1 ZINC000080546241 1292608946 /nfs/dbraw/zinc/60/89/46/1292608946.db2.gz SGNYKBIRCDYBOE-UHFFFAOYSA-N -1 0 337.495 3.134 20 30 EGEDRM CC(C)=CCC[C@H](C)CC(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1 ZINC000830098123 1292662678 /nfs/dbraw/zinc/66/26/78/1292662678.db2.gz PILNCEMIXLMNOT-ZDUSSCGKSA-N -1 0 342.399 3.122 20 30 EGEDRM CCCc1ccc(S(=O)(=O)[N-]C(=O)c2cc(C#N)cs2)cc1 ZINC000083937482 1292691978 /nfs/dbraw/zinc/69/19/78/1292691978.db2.gz UWSVEPJIYKCBIC-UHFFFAOYSA-N -1 0 334.422 3.266 20 30 EGEDRM Cc1nc(CC(C)C)sc1C(=O)[N-]S(=O)(=O)C1CCCC1 ZINC000086056685 1292729003 /nfs/dbraw/zinc/72/90/03/1292729003.db2.gz GLCWDOVIEMBZDW-UHFFFAOYSA-N -1 0 330.475 3.227 20 30 EGEDRM Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCCO3)s1 ZINC000091125598 1292820587 /nfs/dbraw/zinc/82/05/87/1292820587.db2.gz PYKBVNNFCKEQRL-UHFFFAOYSA-N -1 0 337.422 3.075 20 30 EGEDRM COc1cc(C=NN[C@H](C)C(F)(F)F)cc(Br)c1O ZINC000834996739 1293184082 /nfs/dbraw/zinc/18/40/82/1293184082.db2.gz VSWYZHTUABNRCU-ZCFIWIBFSA-N -1 0 341.127 3.038 20 30 EGEDRM CC(CCc1ccc(O[C@@H](C)C(=O)[O-])cc1)=NN[C@@H]1CCOC1(C)C ZINC000835020646 1293189561 /nfs/dbraw/zinc/18/95/61/1293189561.db2.gz JEVOTIXSMAGYAL-WMLDXEAASA-N -1 0 348.443 3.004 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1coc(-c2ccccc2)n1 ZINC000121608320 1293380035 /nfs/dbraw/zinc/38/00/35/1293380035.db2.gz CBCRHONWIZDKRF-HNNXBMFYSA-N -1 0 339.395 3.361 20 30 EGEDRM C[C@H](Sc1ccc(Cl)cc1)C(=O)C(C#N)=C([O-])c1nccn1C ZINC000123287477 1293440003 /nfs/dbraw/zinc/44/00/03/1293440003.db2.gz ASHZSFFRKKUXSK-GXFFZTMASA-N -1 0 347.827 3.146 20 30 EGEDRM CC(C)NC(=O)C(C#N)=C([O-])c1ccc(SC(F)(F)F)cc1 ZINC000130731288 1293667018 /nfs/dbraw/zinc/66/70/18/1293667018.db2.gz MUXWCQOXBLPYBX-NSHDSACASA-N -1 0 330.331 3.146 20 30 EGEDRM COc1cc(/C=C/C(=O)c2ccc(C#N)s2)cc([N+](=O)[O-])c1[O-] ZINC000134511497 1293774520 /nfs/dbraw/zinc/77/45/20/1293774520.db2.gz ZXVMZZAUHGHCLM-DUXPYHPUSA-N -1 0 330.321 3.138 20 30 EGEDRM C=C[C@@H](CC(=O)[N-]S(=O)(=O)/C=C/c1ccccc1)c1ccccc1 ZINC000136044535 1293807964 /nfs/dbraw/zinc/80/79/64/1293807964.db2.gz HVHCCODHILYUOS-CLVCIHKQSA-N -1 0 341.432 3.463 20 30 EGEDRM C=CCn1c(=O)c2ccc(C(=O)N[C@H](C)CCC)cc2[n-]c1=S ZINC000137567482 1293831043 /nfs/dbraw/zinc/83/10/43/1293831043.db2.gz GPMAKVWPEZTTMZ-LLVKDONJSA-N -1 0 331.441 3.163 20 30 EGEDRM Cc1ccc2ncc(/C=C/C(=O)c3cccc(OCC(=O)[O-])c3)n2c1 ZINC000151389858 1293922974 /nfs/dbraw/zinc/92/29/74/1293922974.db2.gz LPPCBORBPMTERQ-VOTSOKGWSA-N -1 0 336.347 3.002 20 30 EGEDRM COc1cc(/C=C/C(=O)c2ccccc2[O-])c([N+](=O)[O-])cc1OC ZINC000156602508 1294151423 /nfs/dbraw/zinc/15/14/23/1294151423.db2.gz VVJZELNNHKHHDF-BQYQJAHWSA-N -1 0 329.308 3.214 20 30 EGEDRM O=C(/C=C/c1ccc(N2CCOCC2)cc1)c1ccc(F)cc1[O-] ZINC000156712180 1294156562 /nfs/dbraw/zinc/15/65/62/1294156562.db2.gz RLTLSKHQDGIODC-FPYGCLRLSA-N -1 0 327.355 3.264 20 30 EGEDRM Cc1cccc(NC(=O)C(C#N)=C([O-])c2occc2Br)c1 ZINC000176091283 1294591270 /nfs/dbraw/zinc/59/12/70/1294591270.db2.gz PTXRQVHEURQYCV-NSHDSACASA-N -1 0 347.168 3.312 20 30 EGEDRM Cc1ccc(C(=O)/C=C/c2cc([O-])ccc2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000176379261 1294602761 /nfs/dbraw/zinc/60/27/61/1294602761.db2.gz ZZMMSNQITNXQHH-QPJJXVBHSA-N -1 0 328.280 3.413 20 30 EGEDRM C=CCCCC(=O)[N-]S(=O)(=O)c1ccc(OCC)c2ccccc21 ZINC000176611592 1294617561 /nfs/dbraw/zinc/61/75/61/1294617561.db2.gz OXDDHSIBTCBOFY-UHFFFAOYSA-N -1 0 347.436 3.400 20 30 EGEDRM COc1ccc2c(c1)C(=O)/C(=C\c1ccc(OCCC(=O)[O-])cc1)C2 ZINC000176939394 1294645490 /nfs/dbraw/zinc/64/54/90/1294645490.db2.gz FALQABPZYWCDBB-GDNBJRDFSA-N -1 0 338.359 3.371 20 30 EGEDRM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000179026975 1294769008 /nfs/dbraw/zinc/76/90/08/1294769008.db2.gz JPGMROCHFXDLLG-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM CCOc1ccc(C([O-])=C(C#N)C(=O)c2c(C)[nH]c3ccccc32)cn1 ZINC000179967920 1294846749 /nfs/dbraw/zinc/84/67/49/1294846749.db2.gz FSYGNHFNWQUWOE-OAHLLOKOSA-N -1 0 347.374 3.475 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])c(/C=N/C[C@@H]2COC3(CCCCCC3)O2)c1 ZINC000182236890 1295029964 /nfs/dbraw/zinc/02/99/64/1295029964.db2.gz BHOWZLIBZKXQKD-BFERYNQYSA-N -1 0 334.372 3.185 20 30 EGEDRM COc1cccc(OC)c1/C=C/C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000182254242 1295030806 /nfs/dbraw/zinc/03/08/06/1295030806.db2.gz MBEMSBNZYMVTAM-VQHVLOKHSA-N -1 0 329.308 3.214 20 30 EGEDRM COc1ccc2cc(C([O-])=C(C#N)C(=O)NC3CCCC3)sc2c1 ZINC000870158913 1295709697 /nfs/dbraw/zinc/70/96/97/1295709697.db2.gz LXZJMOPMHQTGTK-AWEZNQCLSA-N -1 0 342.420 3.291 20 30 EGEDRM C=CCC1(C(=O)[N-]S(=O)(=O)c2ccc(-n3cccc3)cc2)CCC1 ZINC000192298052 1295751719 /nfs/dbraw/zinc/75/17/19/1295751719.db2.gz FPSWVGFZRFZCCV-UHFFFAOYSA-N -1 0 344.436 3.029 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(C(F)(F)F)cc1 ZINC000193367883 1295856510 /nfs/dbraw/zinc/85/65/10/1295856510.db2.gz LECMKZPCFXQNJM-CYBMUJFWSA-N -1 0 326.318 3.334 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(C(F)(F)F)nc1C ZINC000193374531 1295857753 /nfs/dbraw/zinc/85/77/53/1295857753.db2.gz CUEWTXVNTYSAAS-GFCCVEGCSA-N -1 0 341.333 3.038 20 30 EGEDRM COc1ccc(C(=O)/C=C\c2cccc(OCCC(=O)[O-])c2)cc1 ZINC000208114850 1296097462 /nfs/dbraw/zinc/09/74/62/1296097462.db2.gz HFGRWGXJFWMWIN-YHYXMXQVSA-N -1 0 326.348 3.445 20 30 EGEDRM C#CCOc1cccc(NC(=O)CC2(C(=O)[O-])CCCCCC2)c1 ZINC000238070064 1296277390 /nfs/dbraw/zinc/27/73/90/1296277390.db2.gz CPTJXXDDAAHJMW-UHFFFAOYSA-N -1 0 329.396 3.452 20 30 EGEDRM COc1cc(C(C)=NNc2ccccc2C(=O)[O-])cc(OC)c1OC ZINC000254628171 1296475090 /nfs/dbraw/zinc/47/50/90/1296475090.db2.gz MXJKEDHOTNXTTD-UHFFFAOYSA-N -1 0 344.367 3.247 20 30 EGEDRM O=C1CCCN1c1cccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000254986777 1296485693 /nfs/dbraw/zinc/48/56/93/1296485693.db2.gz JSSKHXKSPGGKTF-UHFFFAOYSA-N -1 0 325.324 3.178 20 30 EGEDRM Cc1ccc([C@@H](O)C/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC000255066335 1296495162 /nfs/dbraw/zinc/49/51/62/1296495162.db2.gz RXLQMBFIKYTULI-VHXYRJIDSA-N -1 0 334.759 3.415 20 30 EGEDRM CCOc1ccc([N+](=O)[O-])cc1/C=C\C(=O)c1ccc(O)cc1[O-] ZINC000255547027 1296544592 /nfs/dbraw/zinc/54/45/92/1296544592.db2.gz VAGHWYCHGHTMMG-CLTKARDFSA-N -1 0 329.308 3.301 20 30 EGEDRM Cc1cccc(/C=C\C(=O)c2ccc([O-])c(CN3CCOCC3)c2)c1 ZINC000255570536 1296548911 /nfs/dbraw/zinc/54/89/11/1296548911.db2.gz VUCXFUZVRNXWRC-ALCCZGGFSA-N -1 0 337.419 3.429 20 30 EGEDRM CC(C)[C@@H](SCc1ccccc1)C(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC000585125700 1298033134 /nfs/dbraw/zinc/03/31/34/1298033134.db2.gz BZYDDZOHHOGSBC-OAHLLOKOSA-N -1 0 339.424 3.050 20 30 EGEDRM COC(=O)[C@H](C)Cc1ccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000588451443 1298067626 /nfs/dbraw/zinc/06/76/26/1298067626.db2.gz RMWWMMWVWAXWGH-GFCCVEGCSA-N -1 0 342.351 3.403 20 30 EGEDRM Cc1nnc(N=NC(=CCc2ccccc2)c2ccccc2)[n-]c1=O ZINC000725726010 1298354538 /nfs/dbraw/zinc/35/45/38/1298354538.db2.gz ABODFUWUIAMWBH-HUQQSPMISA-N -1 0 331.379 3.415 20 30 EGEDRM CCCOc1ccc(C=Nn2c(=O)c3ccccc3[n-]c2=S)cc1 ZINC000725858676 1298377170 /nfs/dbraw/zinc/37/71/70/1298377170.db2.gz FBPNKRXHYUNENK-UHFFFAOYSA-N -1 0 339.420 3.356 20 30 EGEDRM Cc1[nH]c2ccccc2c1C=Nn1c(=O)c2ccccc2[n-]c1=S ZINC000725858724 1298378744 /nfs/dbraw/zinc/37/87/44/1298378744.db2.gz NNZZNWZHHKYZDT-UHFFFAOYSA-N -1 0 334.404 3.357 20 30 EGEDRM C[C@H](Oc1cccc(C=NNCc2cccc3cccnc32)c1)C(=O)[O-] ZINC000746679270 1298639269 /nfs/dbraw/zinc/63/92/69/1298639269.db2.gz BUDTXIUTCSQAIJ-AWEZNQCLSA-N -1 0 349.390 3.210 20 30 EGEDRM CC(=NNc1ccc(C(=O)[O-])cc1)c1cnn(-c2ccccn2)c1C ZINC000748245904 1298968031 /nfs/dbraw/zinc/96/80/31/1298968031.db2.gz GELJSYKMHWCGKE-UHFFFAOYSA-N -1 0 335.367 3.110 20 30 EGEDRM Cc1c(C(=O)Nc2cc(C#N)ccc2[O-])cnn1-c1cccc(C)c1 ZINC000748410451 1299003633 /nfs/dbraw/zinc/00/36/33/1299003633.db2.gz LDHMTYGMXCJLEU-UHFFFAOYSA-N -1 0 332.363 3.319 20 30 EGEDRM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2cc(C#N)ccc2O)c1C ZINC000748674760 1299058442 /nfs/dbraw/zinc/05/84/42/1299058442.db2.gz ZGUCQEKKMLJBBO-UHFFFAOYSA-N -1 0 330.409 3.298 20 30 EGEDRM COc1ccc2c(c1)O/C(=C\c1ccc(OCCC(=O)[O-])cc1)C2=O ZINC000749132557 1299149955 /nfs/dbraw/zinc/14/99/55/1299149955.db2.gz OWOZYYQMYNGAQU-YVLHZVERSA-N -1 0 340.331 3.165 20 30 EGEDRM O=C([O-])c1cc(NN=C(CO)c2ccc(F)cc2F)ccc1Cl ZINC000749604496 1299244090 /nfs/dbraw/zinc/24/40/90/1299244090.db2.gz WVXIRZIAUGZUIA-UHFFFAOYSA-N -1 0 340.713 3.125 20 30 EGEDRM CC(C)Cc1nc(C#N)c(N=NC(C)c2ccc([O-])c([N+](=O)[O-])c2)o1 ZINC000749609199 1299245995 /nfs/dbraw/zinc/24/59/95/1299245995.db2.gz UYNKRCNUHWERJD-UHFFFAOYSA-N -1 0 343.343 3.195 20 30 EGEDRM Cc1c(C(=O)/C=C\c2cc(F)c([O-])c(F)c2)c(C#N)c2n1CCC2 ZINC000749892223 1299294339 /nfs/dbraw/zinc/29/43/39/1299294339.db2.gz UAJXRWZRLLJHLB-PLNGDYQASA-N -1 0 328.318 3.494 20 30 EGEDRM COc1cccc2c1CCC(N=Nc1ccc(C(=O)[O-])cc1OC)C2 ZINC000754961962 1300255094 /nfs/dbraw/zinc/25/50/94/1300255094.db2.gz QJUZTSKUTRCSHC-UHFFFAOYSA-N -1 0 340.379 3.359 20 30 EGEDRM O=c1c2ccccc2[n-]c(=S)n1N=Cc1ccc(F)c(Cl)c1 ZINC000755617762 1300366105 /nfs/dbraw/zinc/36/61/05/1300366105.db2.gz QBWMEWNKINAVMY-UHFFFAOYSA-N -1 0 333.775 3.360 20 30 EGEDRM O=C1Nc2cc(F)ccc2C1=N[N-]c1nc(C(F)(F)F)cs1 ZINC000755904968 1300413388 /nfs/dbraw/zinc/41/33/88/1300413388.db2.gz QJQFVCWKBDVTEZ-UHFFFAOYSA-N -1 0 330.266 3.069 20 30 EGEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1ccc([C@H](C)CC)cc1 ZINC000756222557 1300454462 /nfs/dbraw/zinc/45/44/62/1300454462.db2.gz DQQLHTICGDFFFW-PBHICJAKSA-N -1 0 330.428 3.065 20 30 EGEDRM CCn1ncc(C(=O)Nc2cc(C#N)ccc2[O-])c1-c1ccccc1 ZINC000756877701 1300582732 /nfs/dbraw/zinc/58/27/32/1300582732.db2.gz AVNPPZVMZPHYMD-UHFFFAOYSA-N -1 0 332.363 3.400 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1[N-][NH+]=C(C)c1ccc(F)cc1N(C)C ZINC000756899154 1300586173 /nfs/dbraw/zinc/58/61/73/1300586173.db2.gz RMEAJISWTZGOHD-UHFFFAOYSA-N -1 0 345.374 3.435 20 30 EGEDRM COc1ccc(OC)c(C(C)N=Nc2ccc(C(=O)[O-])cc2OC)c1 ZINC000756906039 1300586853 /nfs/dbraw/zinc/58/68/53/1300586853.db2.gz QSMXEEAYXGHROK-UHFFFAOYSA-N -1 0 344.367 3.247 20 30 EGEDRM CC(=NNCCCc1ccccc1)c1cccc(OCC(=O)[O-])c1 ZINC000757462118 1300672163 /nfs/dbraw/zinc/67/21/63/1300672163.db2.gz VPFWHTQWMLNDCH-UHFFFAOYSA-N -1 0 326.396 3.096 20 30 EGEDRM COc1ccc(NN=C(C)c2cc([N+](=O)[O-])ccc2[O-])c([N+](=O)[O-])c1 ZINC000758119946 1300789254 /nfs/dbraw/zinc/78/92/54/1300789254.db2.gz VZXIPNXEEADBGW-UHFFFAOYSA-N -1 0 346.299 3.053 20 30 EGEDRM COc1cc(/C=C/C(=O)c2cc([N+](=O)[O-])ccc2[O-])cc(OC)c1 ZINC000759089098 1301013014 /nfs/dbraw/zinc/01/30/14/1301013014.db2.gz FZXLARRFLLTSBM-HWKANZROSA-N -1 0 329.308 3.214 20 30 EGEDRM COc1ccc(/C=C/C(=O)c2cc([N+](=O)[O-])ccc2[O-])c(OC)c1 ZINC000759089123 1301013889 /nfs/dbraw/zinc/01/38/89/1301013889.db2.gz GGBJKHCWJFTXTJ-QPJJXVBHSA-N -1 0 329.308 3.214 20 30 EGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CCc1ccncc1 ZINC000759182218 1301034239 /nfs/dbraw/zinc/03/42/39/1301034239.db2.gz FYRGKTMLHLTVMA-INIZCTEOSA-N -1 0 331.375 3.396 20 30 EGEDRM CCOC(=O)c1c(C)[nH]c(C)c1C(=O)C(C#N)=C([O-])c1cccs1 ZINC000759243142 1301048559 /nfs/dbraw/zinc/04/85/59/1301048559.db2.gz SBXVMKCPYAEWSA-NSHDSACASA-N -1 0 344.392 3.075 20 30 EGEDRM C[C@@H](c1ccccc1)n1ccc([N-]c2ncc([N+](=O)[O-])cc2C#N)n1 ZINC000759718133 1301148189 /nfs/dbraw/zinc/14/81/89/1301148189.db2.gz RPVAKHCXAHSJSP-LBPRGKRZSA-N -1 0 334.339 3.411 20 30 EGEDRM COc1ccc(C(=O)/C=C/c2ccc(C#N)c(C)c2)cc1CC(=O)[O-] ZINC000766492222 1302463108 /nfs/dbraw/zinc/46/31/08/1302463108.db2.gz SHONHORHKWFIFH-QPJJXVBHSA-N -1 0 335.359 3.399 20 30 EGEDRM O=C(/C=C\c1cncc(Br)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000767356750 1302649588 /nfs/dbraw/zinc/64/95/88/1302649588.db2.gz BSTWLNNOPRBJAV-IWQZZHSRSA-N -1 0 349.140 3.354 20 30 EGEDRM CS(=O)(=O)c1ccccc1NN=Cc1cc(Cl)cc(F)c1[O-] ZINC000768362522 1302888483 /nfs/dbraw/zinc/88/84/83/1302888483.db2.gz NHRVJBYJMRKFDC-UHFFFAOYSA-N -1 0 342.779 3.034 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)c2csc(-c3ncccc3F)n2)c1 ZINC000768415131 1302897755 /nfs/dbraw/zinc/89/77/55/1302897755.db2.gz CWICXCBEORCEPN-UHFFFAOYSA-N -1 0 340.339 3.174 20 30 EGEDRM C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000769244405 1303080859 /nfs/dbraw/zinc/08/08/59/1303080859.db2.gz PMTCZZIHWSMSEM-SNVBAGLBSA-N -1 0 339.376 3.394 20 30 EGEDRM C[C@H](Oc1cccc(C(=O)/C=C/c2cccc3nccn32)c1)C(=O)[O-] ZINC000769610087 1303146955 /nfs/dbraw/zinc/14/69/55/1303146955.db2.gz NVMWDBNXODNGBR-XEHSLEBBSA-N -1 0 336.347 3.082 20 30 EGEDRM N#Cc1cc(/C=C/C(=O)c2cccc(OCC(=O)[O-])c2)ccc1F ZINC000770566654 1303285628 /nfs/dbraw/zinc/28/56/28/1303285628.db2.gz ONVSTKDFZARFOQ-FNORWQNLSA-N -1 0 325.295 3.057 20 30 EGEDRM CCC[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1 ZINC000771074712 1303357387 /nfs/dbraw/zinc/35/73/87/1303357387.db2.gz TXIHHTQKTBDNIB-HNNXBMFYSA-N -1 0 340.489 3.123 20 30 EGEDRM COc1ccc(C(=O)/C=C\c2ccc(C#N)cc2F)cc1CC(=O)[O-] ZINC000772796676 1303577123 /nfs/dbraw/zinc/57/71/23/1303577123.db2.gz JVLPBBKJGUNETE-XQRVVYSFSA-N -1 0 339.322 3.229 20 30 EGEDRM O=C1c2cc(F)ccc2OCC/C1=C\c1cc([O-])ccc1[N+](=O)[O-] ZINC000772798159 1303577868 /nfs/dbraw/zinc/57/78/68/1303577868.db2.gz SUNLHQCXAQKNQJ-JXMROGBWSA-N -1 0 329.283 3.488 20 30 EGEDRM C#CCOc1ccccc1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000775296099 1303935989 /nfs/dbraw/zinc/93/59/89/1303935989.db2.gz RNZCRUQYGAMTSG-UHFFFAOYSA-N -1 0 339.775 3.292 20 30 EGEDRM C=CCOc1cccnc1C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000775543711 1303982044 /nfs/dbraw/zinc/98/20/44/1303982044.db2.gz XIZQEIRLRVVEQF-UHFFFAOYSA-N -1 0 327.365 3.329 20 30 EGEDRM C=CCSc1ccccc1C(=O)[N-]S(=O)(=O)C(CC)CC ZINC000777317916 1304282491 /nfs/dbraw/zinc/28/24/91/1304282491.db2.gz DSEWXUUFCTVEER-UHFFFAOYSA-N -1 0 327.471 3.213 20 30 EGEDRM CCc1ccccc1S(=O)(=O)[N-]c1ccc(F)cc1OCC#N ZINC000777644243 1304329524 /nfs/dbraw/zinc/32/95/24/1304329524.db2.gz KZQAMVLVUCJAAD-UHFFFAOYSA-N -1 0 334.372 3.091 20 30 EGEDRM C#CCOc1ccc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC000777771091 1304344638 /nfs/dbraw/zinc/34/46/38/1304344638.db2.gz HWAMRYLIVMXRMO-UHFFFAOYSA-N -1 0 346.726 3.218 20 30 EGEDRM C[C@H](CC(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1)C1CCCCC1 ZINC000779314474 1304555092 /nfs/dbraw/zinc/55/50/92/1304555092.db2.gz ZPCYNNZZTDRRSJ-CQSZACIVSA-N -1 0 340.489 3.123 20 30 EGEDRM CCCCC[C@H](CC)C(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC000779320753 1304556129 /nfs/dbraw/zinc/55/61/29/1304556129.db2.gz BPJCWIULMNKGRR-AWEZNQCLSA-N -1 0 328.478 3.123 20 30 EGEDRM Cn1nc(C(F)(F)F)c(/C=C2/Oc3cc(O)ccc3C2=O)c1Cl ZINC000782107758 1304916923 /nfs/dbraw/zinc/91/69/23/1304916923.db2.gz NDNDZMKXDNBHHJ-BJMVGYQFSA-N -1 0 344.676 3.414 20 30 EGEDRM COc1cc(C(=O)/C=C/c2cc(C(=O)[O-])cs2)c(OC)cc1O ZINC000782206228 1304931182 /nfs/dbraw/zinc/93/11/82/1304931182.db2.gz IWZOFJHPESYAQS-ONEGZZNKSA-N -1 0 334.349 3.065 20 30 EGEDRM Cn1nc(Br)cc1/C=C\C(=O)c1cc(F)cc(F)c1[O-] ZINC000782348893 1304959578 /nfs/dbraw/zinc/95/95/78/1304959578.db2.gz VRKPSVTTZYGYQA-IHWYPQMZSA-N -1 0 343.127 3.063 20 30 EGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@@H]1CCC(=O)[C@@H](C)C1 ZINC000783340944 1305081927 /nfs/dbraw/zinc/08/19/27/1305081927.db2.gz LHGOUJLFJPTARK-NJZAAPMLSA-N -1 0 336.391 3.373 20 30 EGEDRM N#CC(C(=O)NCc1cccc(Cl)c1)=C([O-])c1cccc(F)c1 ZINC000786541063 1305594007 /nfs/dbraw/zinc/59/40/07/1305594007.db2.gz VPQLQNRRRPOIMR-OAHLLOKOSA-N -1 0 330.746 3.118 20 30 EGEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2ccc(C(C)C)nc2)c1 ZINC000786552988 1305596624 /nfs/dbraw/zinc/59/66/24/1305596624.db2.gz QRMBGNYVWSVBLV-KRWDZBQOSA-N -1 0 335.407 3.152 20 30 EGEDRM C=C1CCC(C(=O)[N-]S(=O)(=O)c2c(C)cccc2Cl)CC1 ZINC000892910594 1305604162 /nfs/dbraw/zinc/60/41/62/1305604162.db2.gz HEGTZIGJUUVFGX-UHFFFAOYSA-N -1 0 327.833 3.200 20 30 EGEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1ccn(C(C)C)n1)c1ccccc1 ZINC000787041067 1305681380 /nfs/dbraw/zinc/68/13/80/1305681380.db2.gz YEKKRNYHOUAJQS-HZPDHXFCSA-N -1 0 338.411 3.054 20 30 EGEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1cc(C)n(C)c1C)c1ccccc1 ZINC000787047866 1305684340 /nfs/dbraw/zinc/68/43/40/1305684340.db2.gz YSYAFZFRTJQJKB-ZWKOTPCHSA-N -1 0 337.423 3.232 20 30 EGEDRM Cc1ccc2nc(/C=C\C(=O)c3cccc(OCC(=O)[O-])c3)cn2c1 ZINC000789130317 1306096778 /nfs/dbraw/zinc/09/67/78/1306096778.db2.gz OACUOGFXQZNFGK-SREVYHEPSA-N -1 0 336.347 3.002 20 30 EGEDRM CC=C(CC)C(=O)C(C#N)=C([O-])c1c(C)[nH]c(C)c1C(=O)OCC ZINC000789350315 1306144158 /nfs/dbraw/zinc/14/41/58/1306144158.db2.gz FJOJIFLAHQGVJR-TZQNSNDFSA-N -1 0 330.384 3.056 20 30 EGEDRM CC[C@@H](NN=C1CCCc2nc(-c3ccccc3F)sc21)C(=O)[O-] ZINC000793054497 1309288537 /nfs/dbraw/zinc/28/85/37/1309288537.db2.gz GOTSLPVLQFDNIK-GFCCVEGCSA-N -1 0 347.415 3.442 20 30 EGEDRM CC[C@H](NN=CC1=Cc2cc(Cl)cc(Cl)c2OC1)C(=O)[O-] ZINC000793074020 1309290308 /nfs/dbraw/zinc/29/03/08/1309290308.db2.gz ZNXZNYLCIYGRCU-LBPRGKRZSA-N -1 0 329.183 3.208 20 30 EGEDRM CC[C@H](NN=Cc1cn(Cc2ccccc2)nc1C(C)(C)C)C(=O)[O-] ZINC000793072755 1309290623 /nfs/dbraw/zinc/29/06/23/1309290623.db2.gz WEFJBTXECCECEB-INIZCTEOSA-N -1 0 342.443 3.016 20 30 EGEDRM CC[C@H](NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C(=O)[O-] ZINC000793072067 1309291183 /nfs/dbraw/zinc/29/11/83/1309291183.db2.gz LPGOWAMQXUNQLX-ZDUSSCGKSA-N -1 0 333.369 3.110 20 30 EGEDRM C[C@@H](Oc1ccc(/C=C2/CCc3ccc(O)cc3C2=O)cc1)C(=O)[O-] ZINC000794713680 1309579268 /nfs/dbraw/zinc/57/92/68/1309579268.db2.gz OITXYYUJQMUVGL-DYTQJMLRSA-N -1 0 338.359 3.457 20 30 EGEDRM COc1ccc(C(=O)/C=C/c2c(F)ccc(O)c2F)cc1CC(=O)[O-] ZINC000794936456 1309625299 /nfs/dbraw/zinc/62/52/99/1309625299.db2.gz AKZFEMBSMVYSMA-HWKANZROSA-N -1 0 348.301 3.202 20 30 EGEDRM CC(=NNc1cncnc1)c1cc(Br)cc(Cl)c1[O-] ZINC000794972958 1309638255 /nfs/dbraw/zinc/63/82/55/1309638255.db2.gz QGQICJCLRBIUAY-UHFFFAOYSA-N -1 0 341.596 3.434 20 30 EGEDRM O=C1Nc2c(cc(Cl)cc2Cl)C1=N[N-]c1ncccc1F ZINC000794992919 1309645579 /nfs/dbraw/zinc/64/55/79/1309645579.db2.gz FMUNGKVWACJDBW-UHFFFAOYSA-N -1 0 325.130 3.296 20 30 EGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)c1occ2c1CCOC2 ZINC000796752054 1310080017 /nfs/dbraw/zinc/08/00/17/1310080017.db2.gz FEJNRSGJGBVECB-HNNXBMFYSA-N -1 0 348.358 3.347 20 30 EGEDRM C=CCC(C)(C)C(=O)C(C#N)=C([O-])c1c(C)[nH]c(C)c1C(=O)OCC ZINC000796764057 1310082439 /nfs/dbraw/zinc/08/24/39/1310082439.db2.gz UALLIKNMIUKBIC-CYBMUJFWSA-N -1 0 344.411 3.302 20 30 EGEDRM CC(C)Cc1cccc([C@@H](C)C(=O)C(C#N)=C([O-])c2nccn2C)c1 ZINC000797161579 1310149651 /nfs/dbraw/zinc/14/96/51/1310149651.db2.gz FEAWCGDEAOCJLP-PBHICJAKSA-N -1 0 337.423 3.314 20 30 EGEDRM COc1ccccc1-n1nccc1/C=C\C(=O)c1ccc(O)cc1[O-] ZINC000797406569 1310185132 /nfs/dbraw/zinc/18/51/32/1310185132.db2.gz UWZYBAVHRGMPRF-TWGQIWQCSA-N -1 0 336.347 3.188 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)NCCc1ccc(-c2ccccc2)cc1 ZINC000797731680 1310239448 /nfs/dbraw/zinc/23/94/48/1310239448.db2.gz CEWAHRXQGJINME-UHFFFAOYSA-N -1 0 338.407 3.178 20 30 EGEDRM Cc1cccc(S(=O)(=O)[N-]c2cnc(Cl)cc2C#N)c1Cl ZINC000798211113 1310318450 /nfs/dbraw/zinc/31/84/50/1310318450.db2.gz ZGUQJYCTYKZFGB-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM CC(=[NH+][N-]c1ccc(Cl)c(C(=O)[O-])c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000799104675 1310487668 /nfs/dbraw/zinc/48/76/68/1310487668.db2.gz DLFWVOYXOZVIRX-UHFFFAOYSA-N -1 0 348.746 3.365 20 30 EGEDRM CCCCCCCC(=O)[N-]S(=O)(=O)Cc1cccc(COC)c1 ZINC000799654011 1310595393 /nfs/dbraw/zinc/59/53/93/1310595393.db2.gz OPYFDBYOKBMROI-UHFFFAOYSA-N -1 0 341.473 3.140 20 30 EGEDRM Cc1[nH]c(C=NNc2ccc(F)cc2Br)cc1C(=O)[O-] ZINC000800809651 1310809270 /nfs/dbraw/zinc/80/92/70/1310809270.db2.gz FHKYRQHKWLGFDB-UHFFFAOYSA-N -1 0 340.152 3.369 20 30 EGEDRM CCOc1cncc(/C=C2/CCc3oc(C(=O)[O-])c(C)c3C2=O)c1 ZINC000857202930 1328524694 /nfs/dbraw/zinc/52/46/94/1328524694.db2.gz VYILZRJCZWPRQA-SDQBBNPISA-N -1 0 327.336 3.292 20 30 EGEDRM Cc1ccc(Oc2ccc(C([O-])=C(C#N)C(=O)N3CCCC3)nc2)cc1 ZINC000838786379 1320816442 /nfs/dbraw/zinc/81/64/42/1320816442.db2.gz FNFVCELSBROCLZ-KRWDZBQOSA-N -1 0 349.390 3.127 20 30 EGEDRM Cc1ccccc1Oc1ccc(C([O-])=C(C#N)C(=O)NC(C)C)nc1 ZINC000838786791 1320816693 /nfs/dbraw/zinc/81/66/93/1320816693.db2.gz DONGZZGRIKLPNG-OAHLLOKOSA-N -1 0 337.379 3.029 20 30 EGEDRM COc1ccc(C(=O)/C=C\c2ccnn2C2CCC2)cc1CC(=O)[O-] ZINC000899343059 1316996755 /nfs/dbraw/zinc/99/67/55/1316996755.db2.gz NBFMEIBKHLOMIX-SREVYHEPSA-N -1 0 340.379 3.140 20 30 EGEDRM C=CCCCCCCNS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000804610823 1317266787 /nfs/dbraw/zinc/26/67/87/1317266787.db2.gz UAUFAJJENNCKQO-UHFFFAOYSA-N -1 0 347.383 3.078 20 30 EGEDRM CCN(C)c1ccc(/C=C2/CCc3occ(C(=O)[O-])c3C2=O)cn1 ZINC000901513751 1317437819 /nfs/dbraw/zinc/43/78/19/1317437819.db2.gz CTVVXKOOBWCEIG-WQLSENKSSA-N -1 0 326.352 3.041 20 30 EGEDRM O=C([O-])c1coc2c1C(=O)/C(=C\c1cccc3c1OCCCO3)CC2 ZINC000901518241 1317439402 /nfs/dbraw/zinc/43/94/02/1317439402.db2.gz WCUUZEAAOZUSFQ-LUAWRHEFSA-N -1 0 340.331 3.352 20 30 EGEDRM Cc1cccc(S(=O)(=O)[N-]c2nn(C(C)C)cc2Cl)c1C#N ZINC000901715119 1317466991 /nfs/dbraw/zinc/46/69/91/1317466991.db2.gz UFFXPNDDKXPZDQ-UHFFFAOYSA-N -1 0 338.820 3.098 20 30 EGEDRM Cc1ccc2nc(/C=C3/C[C@H](C(=O)[O-])c4ccccc4C3=O)cn2c1 ZINC000806561407 1317501858 /nfs/dbraw/zinc/50/18/58/1317501858.db2.gz VAXPFHODXPJHKD-OLXGIWCBSA-N -1 0 332.359 3.481 20 30 EGEDRM Cc1cccc(S(=O)(=O)[N-]c2nc(C3CCC3)cs2)c1C#N ZINC000903124245 1317658469 /nfs/dbraw/zinc/65/84/69/1317658469.db2.gz UYZBUNBWQPYNNK-UHFFFAOYSA-N -1 0 333.438 3.392 20 30 EGEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1cc2cccc(C)c2s1 ZINC000808978101 1317756404 /nfs/dbraw/zinc/75/64/04/1317756404.db2.gz GIXXCXRILUIYJD-CQSZACIVSA-N -1 0 344.436 3.075 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc2c(c1)C(C)(C)CO2 ZINC000810528143 1318017827 /nfs/dbraw/zinc/01/78/27/1318017827.db2.gz RRQFUEAPUDDUFK-OAHLLOKOSA-N -1 0 342.439 3.376 20 30 EGEDRM CC1(C)COc2ccc(C([O-])=C(C#N)C(=O)NC3CCCCC3)cc21 ZINC000810530110 1318017844 /nfs/dbraw/zinc/01/78/44/1318017844.db2.gz VVJPYDUPHAWLQY-OAHLLOKOSA-N -1 0 340.423 3.128 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc2c(c1)C(C)(C)CO2 ZINC000810528142 1318018562 /nfs/dbraw/zinc/01/85/62/1318018562.db2.gz RRQFUEAPUDDUFK-HNNXBMFYSA-N -1 0 342.439 3.376 20 30 EGEDRM CC#CCS(=O)(=O)[N-]C(=O)C1(c2ccc(C(C)C)cc2)CCCC1 ZINC000810776198 1318056835 /nfs/dbraw/zinc/05/68/35/1318056835.db2.gz KBMBXKRMSJKNAH-UHFFFAOYSA-N -1 0 347.480 3.091 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)C[C@H]2C[C@H](C)CC(C)(C)C2)CC1 ZINC000810981294 1318085681 /nfs/dbraw/zinc/08/56/81/1318085681.db2.gz PJPVXIIRZWROLB-UONOGXRCSA-N -1 0 327.490 3.394 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)C[C@H]2C[C@@H](C)CC(C)(C)C2)CC1 ZINC000810981295 1318085706 /nfs/dbraw/zinc/08/57/06/1318085706.db2.gz PJPVXIIRZWROLB-ZIAGYGMSSA-N -1 0 327.490 3.394 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000810987187 1318088249 /nfs/dbraw/zinc/08/82/49/1318088249.db2.gz BJUKLZJZLJTVKD-UHFFFAOYSA-N -1 0 348.251 3.091 20 30 EGEDRM COc1ccc(CC(C)N=Nc2ccccc2C(=O)[O-])cc1OC ZINC000812445096 1318395130 /nfs/dbraw/zinc/39/51/30/1318395130.db2.gz QXRIEADBEVDDPQ-UHFFFAOYSA-N -1 0 328.368 3.433 20 30 EGEDRM C=CCC[C@H](NC(=O)NC[C@H](c1ccccc1)C(F)(F)F)C(=O)[O-] ZINC000909099487 1318435737 /nfs/dbraw/zinc/43/57/37/1318435737.db2.gz JBWVRSMQHIRYPG-OLZOCXBDSA-N -1 0 344.333 3.051 20 30 EGEDRM COC(=O)c1cccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])c1Cl ZINC000814183742 1318694004 /nfs/dbraw/zinc/69/40/04/1318694004.db2.gz NKFBBHJDJJFKMQ-UHFFFAOYSA-N -1 0 334.715 3.491 20 30 EGEDRM CC(=NNc1ccccc1C(=O)[O-])c1nnn(-c2ccc(C)cc2)c1C ZINC000814769359 1318812655 /nfs/dbraw/zinc/81/26/55/1318812655.db2.gz YQWMDRFWAUJIAB-UHFFFAOYSA-N -1 0 349.394 3.418 20 30 EGEDRM CS(=O)(=O)c1ccc(NN=Cc2ccc3ccccc3c2O)cc1 ZINC000814802425 1318819579 /nfs/dbraw/zinc/81/95/79/1318819579.db2.gz HCTWDSARMZSYKM-UHFFFAOYSA-N -1 0 340.404 3.395 20 30 EGEDRM Cc1cc(C)c(C(=O)[O-])cc1CN=Nc1nc(-c2ccccc2)no1 ZINC000814829305 1318826263 /nfs/dbraw/zinc/82/62/63/1318826263.db2.gz OXVGKEUUNOGTOV-UHFFFAOYSA-N -1 0 336.351 3.498 20 30 EGEDRM C[C@@H]1C(N=Nc2ccc(Br)nc2)CC[C@@H]1CC(=O)[O-] ZINC000814847197 1318829870 /nfs/dbraw/zinc/82/98/70/1318829870.db2.gz DFYUTXFVGIHAML-DTWKUNHWSA-N -1 0 326.194 3.133 20 30 EGEDRM Cc1nc(Cl)cc(NN=Cc2cccc(C(=O)[O-])c2Cl)n1 ZINC000814855987 1318832309 /nfs/dbraw/zinc/83/23/09/1318832309.db2.gz XHAJRJWFHINGJD-UHFFFAOYSA-N -1 0 325.155 3.236 20 30 EGEDRM O=S(=O)([N-]c1nccs1)c1ccc(N=NC2CC3(CC3)C2)cc1 ZINC000814863254 1318832894 /nfs/dbraw/zinc/83/28/94/1318832894.db2.gz HCZDMXGNKFRWCM-UHFFFAOYSA-N -1 0 348.453 3.286 20 30 EGEDRM CC(C)c1nccnc1N=NC(C)c1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000814917375 1318847248 /nfs/dbraw/zinc/84/72/48/1318847248.db2.gz ULNNZTRRFVNVAR-CYBMUJFWSA-N -1 0 342.399 3.288 20 30 EGEDRM CC(N=Nc1nc(-c2cccnc2)no1)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C ZINC000814949539 1318858872 /nfs/dbraw/zinc/85/88/72/1318858872.db2.gz CGNXCTOEUQQZIM-OLZOCXBDSA-N -1 0 343.387 3.056 20 30 EGEDRM CN(C)c1cc(C#N)cc(C(=O)Nc2ccc3[n-]c(=S)oc3c2)c1 ZINC000815815341 1319059103 /nfs/dbraw/zinc/05/91/03/1319059103.db2.gz WGXANJMOCCPSIK-UHFFFAOYSA-N -1 0 338.392 3.306 20 30 EGEDRM Cc1ccc2snc(C([O-])=C(C#N)C(=O)NC3CCCCC3)c2c1 ZINC000815907037 1319071611 /nfs/dbraw/zinc/07/16/11/1319071611.db2.gz PYONAJRYMFASOK-CQSZACIVSA-N -1 0 341.436 3.376 20 30 EGEDRM N#CC(=C([O-])c1cn2c(Br)cnc2s1)c1ccccn1 ZINC000815906983 1319071750 /nfs/dbraw/zinc/07/17/50/1319071750.db2.gz OSKZMXLYBWNMHT-MRVPVSSYSA-N -1 0 347.197 3.043 20 30 EGEDRM CCn1nc(C)c(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)n1 ZINC000815912727 1319072885 /nfs/dbraw/zinc/07/28/85/1319072885.db2.gz WTERIKYUIWLIEW-CYBMUJFWSA-N -1 0 337.408 3.220 20 30 EGEDRM O=C([O-])c1cccc(NN=Cc2ccc(O)c(Br)c2)c1 ZINC000916255197 1319625967 /nfs/dbraw/zinc/62/59/67/1319625967.db2.gz JCHOCTRUXIRWKK-UHFFFAOYSA-N -1 0 335.157 3.299 20 30 EGEDRM O=[N+]([O-])c1ccccc1C=CC=Nn1c(C(F)(F)F)n[n-]c1=S ZINC000916305617 1319636904 /nfs/dbraw/zinc/63/69/04/1319636904.db2.gz XXQNHFJIWPTTRF-KRYSJNIRSA-N -1 0 343.290 3.041 20 30 EGEDRM Cc1[nH]c(-c2ccccc2)nc1C([O-])=C(C#N)C(=O)Nc1ccccc1 ZINC000916900624 1319722506 /nfs/dbraw/zinc/72/25/06/1319722506.db2.gz SZVCRNOELBQOLQ-MRXNPFEDSA-N -1 0 344.374 3.346 20 30 EGEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1cc2ccc(F)cc2s1 ZINC000917040987 1319742760 /nfs/dbraw/zinc/74/27/60/1319742760.db2.gz CMGPNOUUCUIGMF-ZDUSSCGKSA-N -1 0 330.384 3.422 20 30 EGEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)[C@H]1CC=CCC1 ZINC000917505345 1319823373 /nfs/dbraw/zinc/82/33/73/1319823373.db2.gz MVLVNEKITIDXAT-KBPBESRZSA-N -1 0 342.395 3.056 20 30 EGEDRM Cc1cnn(C)c1/C=C\C(=O)c1cc(C(=O)[O-])ccc1OC(C)C ZINC000821981905 1320045239 /nfs/dbraw/zinc/04/52/39/1320045239.db2.gz DXJVNIQAIWBSAK-SREVYHEPSA-N -1 0 328.368 3.110 20 30 EGEDRM C=CCC[C@@H](NC(=O)/C=C(/C)c1ccccc1OC(F)F)C(=O)[O-] ZINC000823368943 1320172477 /nfs/dbraw/zinc/17/24/77/1320172477.db2.gz FJCCTQNJNCKLIJ-BSYHEUMXSA-N -1 0 339.338 3.227 20 30 EGEDRM C=CCO[N-]C(=O)[C@@H](C)Oc1ccc(Cl)cc1Br ZINC000837043998 1320568250 /nfs/dbraw/zinc/56/82/50/1320568250.db2.gz UPBIHICLJBGXOU-MRVPVSSYSA-N -1 0 334.597 3.104 20 30 EGEDRM C=CCO[N-]C(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000837048533 1320568620 /nfs/dbraw/zinc/56/86/20/1320568620.db2.gz ULBJBXZDCFHPGT-UHFFFAOYSA-N -1 0 343.223 3.337 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)NCC(C)(C)c1cccc(Cl)c1F ZINC000837300873 1320594307 /nfs/dbraw/zinc/59/43/07/1320594307.db2.gz YIPNOHUSUJKEKN-UHFFFAOYSA-N -1 0 342.798 3.039 20 30 EGEDRM O=C1[C@H](/N=C/c2cc(Cl)cc(Cl)c2[O-])C[C@@H]2CCCCN12 ZINC000840708491 1321131969 /nfs/dbraw/zinc/13/19/69/1321131969.db2.gz BUNIVFQUXYEHEW-YJEOITOXSA-N -1 0 327.211 3.271 20 30 EGEDRM CC(C)(CC/N=C\c1cc(Cl)cc(Cl)c1[O-])S(C)(=O)=O ZINC000840713747 1321133137 /nfs/dbraw/zinc/13/31/37/1321133137.db2.gz VAXFLGHEMVUNDD-PXNMLYILSA-N -1 0 338.256 3.331 20 30 EGEDRM CC[C@@H](C#N)Oc1cc(CNc2ncccc2C(=O)[O-])ccc1OC ZINC000843035303 1321459223 /nfs/dbraw/zinc/45/92/23/1321459223.db2.gz YBZIISGNJJJQEL-ZDUSSCGKSA-N -1 0 341.367 3.081 20 30 EGEDRM C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cc(Cl)ccc1SC(C)C ZINC000846154688 1321772809 /nfs/dbraw/zinc/77/28/09/1321772809.db2.gz PLULAVOMCGWVNO-JTQLQIEISA-N -1 0 342.848 3.401 20 30 EGEDRM C=C(C)CO[N-]C(=O)[C@](C)(NC(=O)OC(C)(C)C)c1ccccc1 ZINC000846534753 1321790794 /nfs/dbraw/zinc/79/07/94/1321790794.db2.gz ACQAXJNIUIVCGJ-GOSISDBHSA-N -1 0 334.416 3.050 20 30 EGEDRM C=C(C)CO[N-]C(=O)[C@H](NC(=O)OC(C)(C)C)c1ccc(C)cc1 ZINC000846533597 1321791243 /nfs/dbraw/zinc/79/12/43/1321791243.db2.gz KSXZVFRNJDNYIB-OAHLLOKOSA-N -1 0 334.416 3.185 20 30 EGEDRM C=C(C)CO[N-]C(=O)[C@@H](C)Oc1ccc(C)cc1Br ZINC000846538359 1321791808 /nfs/dbraw/zinc/79/18/08/1321791808.db2.gz PRZQDKNBSWSUSK-LLVKDONJSA-N -1 0 328.206 3.149 20 30 EGEDRM C=C[C@@H](C)O[N-]C(=O)Cc1csc(-c2ccc(OCC)cc2)n1 ZINC000846545302 1321792442 /nfs/dbraw/zinc/79/24/42/1321792442.db2.gz VPLQTKNZGINAMW-GFCCVEGCSA-N -1 0 332.425 3.374 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cccc2c1OC(C)(C)C2 ZINC000847622233 1321884675 /nfs/dbraw/zinc/88/46/75/1321884675.db2.gz DXKDYTUQZJKESX-HNNXBMFYSA-N -1 0 328.412 3.029 20 30 EGEDRM CCCCCCCCCN(C)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000918746849 1321989498 /nfs/dbraw/zinc/98/94/98/1321989498.db2.gz LXOVLNCKYFMBFK-UHFFFAOYSA-N -1 0 344.477 3.094 20 30 EGEDRM C[C@H](Oc1cccc(C(=O)/C=C\c2ccnn2CC2CC2)c1)C(=O)[O-] ZINC000849245132 1322100738 /nfs/dbraw/zinc/10/07/38/1322100738.db2.gz DRQUATDXMHASOG-WSROAFLRSA-N -1 0 340.379 3.041 20 30 EGEDRM Cc1cccc(-c2ccc(C(=O)N3CCC[C@@H]3C(=O)[O-])cc2)c1C#N ZINC000849476526 1322123977 /nfs/dbraw/zinc/12/39/77/1322123977.db2.gz SJDRTBJRPVPVSJ-GOSISDBHSA-N -1 0 334.375 3.223 20 30 EGEDRM CCNC(=O)c1cccc(N=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])c1 ZINC000920944587 1322237887 /nfs/dbraw/zinc/23/78/87/1322237887.db2.gz ZYNRLUODTSPGQH-UHFFFAOYSA-N -1 0 347.758 3.454 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])[C@@]2(C(=O)OC(C)(C)C)CC2(C)C)n1 ZINC000850736685 1322281385 /nfs/dbraw/zinc/28/13/85/1322281385.db2.gz LMFVCXDLWXEVEW-APPDUMDISA-N -1 0 334.441 3.386 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])C2(C(=O)OC(C)(C)C)CC=CC2)n1 ZINC000850736732 1322281512 /nfs/dbraw/zinc/28/15/12/1322281512.db2.gz MLEGAOSOTBSPFD-GFCCVEGCSA-N -1 0 332.425 3.306 20 30 EGEDRM CC(C)Oc1cccc(C=Nn2c(=S)[n-]nc2C(F)(F)F)c1 ZINC000921255069 1322281659 /nfs/dbraw/zinc/28/16/59/1322281659.db2.gz JQCWCRJXOVFANR-UHFFFAOYSA-N -1 0 330.335 3.255 20 30 EGEDRM C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CC1(C#N)CCCCC1 ZINC000850852898 1322300763 /nfs/dbraw/zinc/30/07/63/1322300763.db2.gz ZNJSJWXYGMBNHZ-AWEZNQCLSA-N -1 0 334.441 3.058 20 30 EGEDRM CCC(C#N)(CC)C(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000923061373 1322685437 /nfs/dbraw/zinc/68/54/37/1322685437.db2.gz HRPYHGPVGOUNNZ-UHFFFAOYSA-N -1 0 339.395 3.081 20 30 EGEDRM CC[C@@](C)(C#N)C(=O)NC[C@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000923064785 1322685727 /nfs/dbraw/zinc/68/57/27/1322685727.db2.gz JORPWLZHAKLKNZ-PXNSSMCTSA-N -1 0 338.407 3.139 20 30 EGEDRM CC[C@](C)(C#N)C(=O)N1CCC([C@@H](CC(=O)[O-])c2ccccc2)CC1 ZINC000923090837 1322689564 /nfs/dbraw/zinc/68/95/64/1322689564.db2.gz SKXLRKYOJCTWBV-FXAWDEMLSA-N -1 0 342.439 3.423 20 30 EGEDRM CC[C@@](C)(C#N)C(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000923106751 1322693486 /nfs/dbraw/zinc/69/34/86/1322693486.db2.gz JOBGMDVCGRTNLB-ZDUSSCGKSA-N -1 0 325.162 3.026 20 30 EGEDRM C#CCO[N-]C(=O)C(C)(C)Sc1ccc(Br)cc1 ZINC000855602905 1325402487 /nfs/dbraw/zinc/40/24/87/1325402487.db2.gz FRLXNXQHDRIEAF-UHFFFAOYSA-N -1 0 328.231 3.001 20 30 EGEDRM C#CCCN(CCOC)C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000856389418 1325492545 /nfs/dbraw/zinc/49/25/45/1325492545.db2.gz PNRLASDUSCSDIS-UHFFFAOYSA-N -1 0 331.799 3.311 20 30 EGEDRM C=CCC[C@@H](NC(=O)N[C@@H](C)c1cccc(N2CCCC2)c1)C(=O)[O-] ZINC000929050599 1328496575 /nfs/dbraw/zinc/49/65/75/1328496575.db2.gz YBBIVQWZLRTBDZ-WMLDXEAASA-N -1 0 345.443 3.066 20 30 EGEDRM CC(C)(C)OC(=O)N[C@@H]1CCC(N=Nc2cccc(C(=O)[O-])c2)C1 ZINC000863064015 1329527279 /nfs/dbraw/zinc/52/72/79/1329527279.db2.gz AVYSTCGSYSRUEC-GFCCVEGCSA-N -1 0 333.388 3.230 20 30 EGEDRM N#CCCN(CC1CC1)C(=O)c1cc(Br)cc(F)c1[O-] ZINC000865164710 1329674389 /nfs/dbraw/zinc/67/43/89/1329674389.db2.gz NHYXDQGURTVNTA-UHFFFAOYSA-N -1 0 341.180 3.060 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2sc(C)cc2C)n1 ZINC000869577578 1330526444 /nfs/dbraw/zinc/52/64/44/1330526444.db2.gz CCDYKCYFENFYJD-NSHDSACASA-N -1 0 334.422 3.163 20 30 EGEDRM C=C(C)CNC(=O)c1ccccc1COc1ccc(CC(=O)[O-])cc1 ZINC001183741235 1387339778 /nfs/dbraw/zinc/33/97/78/1387339778.db2.gz NKCSYNHCMJNUFK-UHFFFAOYSA-N -1 0 339.391 3.199 20 30 EGEDRM O=C(CCC(=O)C1=CC=C[CH]1)NCc1ccccc1OC(F)(F)F ZINC001184240209 1387418549 /nfs/dbraw/zinc/41/85/49/1387418549.db2.gz BTKKREREUCMQMA-UHFFFAOYSA-N -1 0 338.305 3.251 20 30 EGEDRM N#Cc1cccc(Br)c1[N-]S(=O)(=O)c1ccsc1 ZINC001185384740 1387699019 /nfs/dbraw/zinc/69/90/19/1387699019.db2.gz WQQSIDIRFPYXNE-UHFFFAOYSA-N -1 0 343.227 3.183 20 30 EGEDRM N#Cc1ccc(O)c([N-]S(=O)(=O)c2cc3ccccc3s2)c1 ZINC001185460556 1387721182 /nfs/dbraw/zinc/72/11/82/1387721182.db2.gz UMZKRAXAVLFFLV-UHFFFAOYSA-N -1 0 330.390 3.279 20 30 EGEDRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2sc(C)cc2C#N)c1 ZINC001189577672 1367059888 /nfs/dbraw/zinc/05/98/88/1367059888.db2.gz ZBFQUTQILDFUNM-UHFFFAOYSA-N -1 0 342.829 3.391 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc3scnc3c2)c1 ZINC001190647736 1367315348 /nfs/dbraw/zinc/31/53/48/1367315348.db2.gz JBGUSZIKZJSYCM-UHFFFAOYSA-N -1 0 333.369 3.108 20 30 EGEDRM Cc1c(Cl)nccc1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC001190939060 1367386586 /nfs/dbraw/zinc/38/65/86/1367386586.db2.gz MRFLHPODRIWKEO-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM Cc1cc(C#N)c([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)s1 ZINC001190937465 1367386631 /nfs/dbraw/zinc/38/66/31/1367386631.db2.gz NBLMCDHNNOLLIH-UHFFFAOYSA-N -1 0 337.813 3.254 20 30 EGEDRM CSc1cc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)ccn1 ZINC001190942837 1367387415 /nfs/dbraw/zinc/38/74/15/1367387415.db2.gz PLCPECLAAJYZBT-UHFFFAOYSA-N -1 0 339.829 3.129 20 30 EGEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc3c(c2)CCC3=O)c1 ZINC001190970047 1367391570 /nfs/dbraw/zinc/39/15/70/1367391570.db2.gz XIXYRDLBIJELEY-UHFFFAOYSA-N -1 0 346.795 3.141 20 30 EGEDRM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1cc(F)cnc1C#N ZINC001191672015 1367558520 /nfs/dbraw/zinc/55/85/20/1367558520.db2.gz ZXKCPQHSIHHOCO-UHFFFAOYSA-N -1 0 349.387 3.025 20 30 EGEDRM Cc1cc(C)c([N-]S(=O)(=O)C(Cl)(Cl)Cl)cc1C#N ZINC001192040310 1367673024 /nfs/dbraw/zinc/67/30/24/1367673024.db2.gz GTHLLMCTEPCWIP-UHFFFAOYSA-N -1 0 327.620 3.245 20 30 EGEDRM CC(=O)c1sc(-c2ccccc2)cc1[N-]S(=O)(=O)[C@@H](C)C#N ZINC001193104295 1367945985 /nfs/dbraw/zinc/94/59/85/1367945985.db2.gz HDJBPOMWDQHCBR-JTQLQIEISA-N -1 0 334.422 3.271 20 30 EGEDRM COc1cc(OC)c(NC(=O)c2ccc([O-])c(C#N)c2)cc1Cl ZINC001193494798 1368045192 /nfs/dbraw/zinc/04/51/92/1368045192.db2.gz PBMPZFNDXLZGQY-UHFFFAOYSA-N -1 0 332.743 3.187 20 30 EGEDRM N#Cc1cc(C(=O)Nc2c(C#N)cccc2C(F)(F)F)ccc1[O-] ZINC001193506775 1368047492 /nfs/dbraw/zinc/04/74/92/1368047492.db2.gz XOVXQHKNBOQFTG-UHFFFAOYSA-N -1 0 331.253 3.407 20 30 EGEDRM N#Cc1cccc(C(=O)Nc2nc(F)cc(C(F)(F)F)c2F)c1[O-] ZINC001193635571 1368080757 /nfs/dbraw/zinc/08/07/57/1368080757.db2.gz WTDKCDPSTDDOMG-UHFFFAOYSA-N -1 0 343.211 3.208 20 30 EGEDRM N#Cc1cccc(C(=O)Nc2ncccc2OCc2ccccc2)c1[O-] ZINC001193635682 1368080967 /nfs/dbraw/zinc/08/09/67/1368080967.db2.gz YHIURRQVGZQWPK-UHFFFAOYSA-N -1 0 345.358 3.490 20 30 EGEDRM N#Cc1cccc(C(=O)N(Cc2ccccc2)C2CCOCC2)c1[O-] ZINC001193644051 1368083182 /nfs/dbraw/zinc/08/31/82/1368083182.db2.gz NIRNLPUAJQUVCH-UHFFFAOYSA-N -1 0 336.391 3.085 20 30 EGEDRM Cc1nc(C#N)c([N-]S(=O)(=O)c2ccc3c(Cl)cccc3c2)o1 ZINC001194226201 1368212077 /nfs/dbraw/zinc/21/20/77/1368212077.db2.gz VZLHSIVDHRLOAR-UHFFFAOYSA-N -1 0 347.783 3.462 20 30 EGEDRM Cc1cc(C#N)c(NC(=O)c2c(C)[n-]n(-c3ccccc3)c2=O)s1 ZINC001194259838 1368218148 /nfs/dbraw/zinc/21/81/48/1368218148.db2.gz CMQZRMMDMVNJAC-UHFFFAOYSA-N -1 0 338.392 3.380 20 30 EGEDRM Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC001194276982 1368222469 /nfs/dbraw/zinc/22/24/69/1368222469.db2.gz QLAZJFRXCBUQRC-ZDUSSCGKSA-N -1 0 346.390 3.249 20 30 EGEDRM CCCCCCCCOC(=O)[N-]c1ncc(Br)[nH]c1=O ZINC001194752005 1368316589 /nfs/dbraw/zinc/31/65/89/1368316589.db2.gz AZKQQFKCSKVMBU-UHFFFAOYSA-N -1 0 346.225 3.441 20 30 EGEDRM C[C@H](C#N)c1ccc([N-]S(=O)(=O)c2cccc3nccnc32)cc1 ZINC001194977492 1368355825 /nfs/dbraw/zinc/35/58/25/1368355825.db2.gz YUBOZSRWRNMFJI-GFCCVEGCSA-N -1 0 338.392 3.058 20 30 EGEDRM N#Cc1ccc(C(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)c([O-])c1 ZINC001195740786 1368481177 /nfs/dbraw/zinc/48/11/77/1368481177.db2.gz DVUYJVLVVURZQK-UHFFFAOYSA-N -1 0 335.338 3.083 20 30 EGEDRM C[C@H]1OC2(CCN(C(=O)c3ccc(C#N)cc3[O-])CC2)c2ccccc21 ZINC001195751309 1368482635 /nfs/dbraw/zinc/48/26/35/1368482635.db2.gz RMUGTASBTTZNGK-CQSZACIVSA-N -1 0 348.402 3.487 20 30 EGEDRM Cc1c(Cl)nccc1[N-]S(=O)(=O)c1cc(Cl)ccc1C#N ZINC001196650659 1368656526 /nfs/dbraw/zinc/65/65/26/1368656526.db2.gz UUNLWVLGBFFNQP-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM N#Cc1ccc(F)cc1[N-]S(=O)(=O)c1cc(Cl)ccc1C#N ZINC001196679824 1368660753 /nfs/dbraw/zinc/66/07/53/1368660753.db2.gz NSWPEUXOJLULFU-UHFFFAOYSA-N -1 0 335.747 3.023 20 30 EGEDRM CCc1cc(C#N)ccc1[N-]S(=O)(=O)c1cc(OC)ccc1F ZINC001196760074 1368677774 /nfs/dbraw/zinc/67/77/74/1368677774.db2.gz AGYJMFVVEXXFDU-UHFFFAOYSA-N -1 0 334.372 3.069 20 30 EGEDRM Cc1nc(C#N)c([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)o1 ZINC001200072919 1369311862 /nfs/dbraw/zinc/31/18/62/1369311862.db2.gz ZBIQRDILJQXSOT-UHFFFAOYSA-N -1 0 347.783 3.462 20 30 EGEDRM Cc1cccc(S(=O)(=O)[N-]c2cccc(C#CC(C)(C)O)c2)c1F ZINC001200811774 1369432474 /nfs/dbraw/zinc/43/24/74/1369432474.db2.gz ZBICJVSVVHITHS-UHFFFAOYSA-N -1 0 347.411 3.057 20 30 EGEDRM N#Cc1ccc(Nc2ccc(S(=O)(=O)[O-])cc2Cl)c(F)c1 ZINC001201574379 1369579755 /nfs/dbraw/zinc/57/97/55/1369579755.db2.gz ZFQVAKHMVISRBS-UHFFFAOYSA-N -1 0 326.736 3.341 20 30 EGEDRM Cc1csc([N-]S(=O)(=O)c2sc(Cl)nc2C)c1C#N ZINC001201729025 1369612411 /nfs/dbraw/zinc/61/24/11/1369612411.db2.gz ZDICQJCMVZFENV-UHFFFAOYSA-N -1 0 333.847 3.147 20 30 EGEDRM Cc1noc([N-]S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)c1C#N ZINC001201790166 1369624467 /nfs/dbraw/zinc/62/44/67/1369624467.db2.gz WUMHAHFTZFBGDI-UHFFFAOYSA-N -1 0 333.413 3.198 20 30 EGEDRM CC(=O)Nc1ccc(Nc2cc(F)c(C(=O)[O-])c(F)c2)cc1C#N ZINC001203328420 1370083430 /nfs/dbraw/zinc/08/34/30/1370083430.db2.gz TYYUWJMYXSAFFD-UHFFFAOYSA-N -1 0 331.278 3.237 20 30 EGEDRM C=CCOC(=O)N1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC001203586625 1370178989 /nfs/dbraw/zinc/17/89/89/1370178989.db2.gz ROAQPXQNMXWNKK-UHFFFAOYSA-N -1 0 345.226 3.139 20 30 EGEDRM O=C(CCc1nc(-c2ccc3c(c2)C(=O)CCC3)no1)C1=CC=C[CH]1 ZINC001204656828 1370537952 /nfs/dbraw/zinc/53/79/52/1370537952.db2.gz UPESDIPXOGPRSR-UHFFFAOYSA-N -1 0 333.367 3.458 20 30 EGEDRM C=CCCC(=O)Nc1ncc(C([O-])(C(F)(F)F)C(F)(F)F)s1 ZINC001115960246 1370811610 /nfs/dbraw/zinc/81/16/10/1370811610.db2.gz JBSYJBNUALZEPF-UHFFFAOYSA-N -1 0 348.268 3.360 20 30 EGEDRM C=CC[C@@H](NC(=O)c1ccccc1OCc1ccc(F)cc1)C(=O)[O-] ZINC001116906783 1370997874 /nfs/dbraw/zinc/99/78/74/1370997874.db2.gz UJIFCGXPWUVLMF-MRXNPFEDSA-N -1 0 343.354 3.164 20 30 EGEDRM C=CCC[C@H](NC(=O)N[C@H](C)c1ccc(Cl)c(F)c1)C(=O)[O-] ZINC001117851295 1371101537 /nfs/dbraw/zinc/10/15/37/1371101537.db2.gz BXTUTGRDSANBOV-RNCFNFMXSA-N -1 0 328.771 3.259 20 30 EGEDRM CC(=NN[C@@H]1CCCSC1)c1cccc(OCCCC(=O)[O-])c1 ZINC001119362511 1371321982 /nfs/dbraw/zinc/32/19/82/1371321982.db2.gz FDKXDVTXXMCOHU-OAHLLOKOSA-N -1 0 336.457 3.139 20 30 EGEDRM C=CC[C@@H](NC(=O)N[C@H]1CCSc2ccc(Cl)cc21)C(=O)[O-] ZINC001119715643 1371392682 /nfs/dbraw/zinc/39/26/82/1371392682.db2.gz YPTVVMHIIDFIMC-NWDGAFQWSA-N -1 0 340.832 3.205 20 30 EGEDRM C=CCC[C@H]1CCCN1c1nnc(-c2c[nH]oc2=O)n1CC(=C)C ZINC001122585973 1372279260 /nfs/dbraw/zinc/27/92/60/1372279260.db2.gz GSEZTMUSHKNYHY-ZDUSSCGKSA-N -1 0 329.404 3.150 20 30 EGEDRM N#CC(=C([O-])c1nn(-c2ccccc2)c2c1CCC2)c1cccc(F)n1 ZINC001122631582 1372287755 /nfs/dbraw/zinc/28/77/55/1372287755.db2.gz GWMOCTDLFVOAAS-HNNXBMFYSA-N -1 0 346.365 3.385 20 30 EGEDRM COc1ccc(C(=O)[O-])cc1Nc1nc(C(F)(F)F)ccc1C#N ZINC001210254204 1372306803 /nfs/dbraw/zinc/30/68/03/1372306803.db2.gz JARRZCISRSBQTE-UHFFFAOYSA-N -1 0 337.257 3.422 20 30 EGEDRM Cc1cc(Nc2cc(Br)cnc2C#N)cc(C(=O)[O-])c1 ZINC001211535107 1372575115 /nfs/dbraw/zinc/57/51/15/1372575115.db2.gz OAUXMQIYEZQJJV-UHFFFAOYSA-N -1 0 332.157 3.466 20 30 EGEDRM N#Cc1c([O-])csc1Nc1cc(F)c(N2CCOCC2)c(F)c1 ZINC001212920087 1372796058 /nfs/dbraw/zinc/79/60/58/1372796058.db2.gz VXPZPACNLONRON-UHFFFAOYSA-N -1 0 337.351 3.184 20 30 EGEDRM N#Cc1cc(F)c(Nc2ccc(NC(=O)CCC(=O)[O-])cc2)c(F)c1 ZINC001213189530 1372856051 /nfs/dbraw/zinc/85/60/51/1372856051.db2.gz JRJGUXJKMBDTQC-UHFFFAOYSA-N -1 0 345.305 3.383 20 30 EGEDRM N#Cc1ncc(Br)cc1Nc1ccc(CCC(=O)[O-])cc1 ZINC001213620891 1372935436 /nfs/dbraw/zinc/93/54/36/1372935436.db2.gz DQKYNKVYOBWMPF-UHFFFAOYSA-N -1 0 346.184 3.477 20 30 EGEDRM N#Cc1ccc(Nc2cc(C(=O)[O-])cnc2F)c(OC(F)(F)F)c1 ZINC001215128228 1373174480 /nfs/dbraw/zinc/17/44/80/1373174480.db2.gz MZWOZQIZNLZWSE-UHFFFAOYSA-N -1 0 341.220 3.433 20 30 EGEDRM CCOC(=O)c1cc(C)nc(-c2c(F)cc(C(=O)[O-])cc2F)c1C#N ZINC001222379983 1373829982 /nfs/dbraw/zinc/82/99/82/1373829982.db2.gz MKDFEJYPURBHNF-UHFFFAOYSA-N -1 0 346.289 3.082 20 30 EGEDRM CC(C)Oc1ncc(Cl)cc1COc1[n-]c(=O)c(F)cc1C#N ZINC001226014853 1375190587 /nfs/dbraw/zinc/19/05/87/1375190587.db2.gz AVCQVZMNEODSQR-UHFFFAOYSA-N -1 0 337.738 3.213 20 30 EGEDRM CCC[C@H](CC(=O)OCC)Oc1[n-]c(=O)cc(C(F)(F)F)c1C#N ZINC001226064802 1375198721 /nfs/dbraw/zinc/19/87/21/1375198721.db2.gz QIFRHYGBIWRNBZ-SECBINFHSA-N -1 0 346.305 3.178 20 30 EGEDRM C=CC[C@@H](Oc1nc2c([nH]1)[nH]c(=O)[nH]c2=O)c1ccc(Cl)cc1 ZINC001227432032 1375430376 /nfs/dbraw/zinc/43/03/76/1375430376.db2.gz IITYREKQJBVFCH-SNVBAGLBSA-N -1 0 332.747 3.114 20 30 EGEDRM C=CCC[C@H](CC)Oc1c([O-])c(C(=O)OCC)oc1C(=O)OCC ZINC001227637240 1375457891 /nfs/dbraw/zinc/45/78/91/1375457891.db2.gz GZYXOTYFMBWTIU-NSHDSACASA-N -1 0 340.372 3.462 20 30 EGEDRM C#C[C@H](CC(C)C)Oc1cc2cc(S(=O)(=O)[O-])ccc2cc1O ZINC001227638932 1375458333 /nfs/dbraw/zinc/45/83/33/1375458333.db2.gz CXLYFYYZYBDZDU-CQSZACIVSA-N -1 0 334.393 3.219 20 30 EGEDRM C#C[C@@H](CCCC)Oc1cc2cc(S(=O)(=O)[O-])ccc2cc1O ZINC001227639231 1375458577 /nfs/dbraw/zinc/45/85/77/1375458577.db2.gz HFHOLIBLDKASBY-AWEZNQCLSA-N -1 0 334.393 3.363 20 30 EGEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cc(C)ccc1C(C)(C)C ZINC001228192158 1375526265 /nfs/dbraw/zinc/52/62/65/1375526265.db2.gz GKCQCRDCCOHSHG-AWEZNQCLSA-N -1 0 342.457 3.130 20 30 EGEDRM C=C(C)C[C@H](Oc1nc[n-]c(=O)c1I)C(=C)C ZINC001228934050 1375720115 /nfs/dbraw/zinc/72/01/15/1375720115.db2.gz WQHVMNSVUWOFDE-VIFPVBQESA-N -1 0 346.168 3.077 20 30 EGEDRM COc1cc(C(=O)[O-])cc(-c2ccc(C3(C#N)CCOCC3)cn2)c1 ZINC001244176729 1377035357 /nfs/dbraw/zinc/03/53/57/1377035357.db2.gz WODIKEPNACZEGP-UHFFFAOYSA-N -1 0 338.363 3.027 20 30 EGEDRM N#Cc1cnn(-c2ccccn2)c1Nc1ccc(C(=O)[O-])cc1Cl ZINC001248549146 1377069023 /nfs/dbraw/zinc/06/90/23/1377069023.db2.gz UOECIBXXAHIDNH-UHFFFAOYSA-N -1 0 339.742 3.234 20 30 EGEDRM CC1(C)CC(=O)C=C(NC(=O)c2cc3cccc(O)c3cc2[O-])C1 ZINC001149657481 1379422694 /nfs/dbraw/zinc/42/26/94/1379422694.db2.gz ZFSBKXLGZHAYRX-UHFFFAOYSA-N -1 0 325.364 3.254 20 30 EGEDRM N#Cc1cnnc(-c2ccccc2)c1[N-]C(=O)c1nc2ccccc2o1 ZINC001153573361 1380096867 /nfs/dbraw/zinc/09/68/67/1380096867.db2.gz ZRCXXUZTCSBTFW-UHFFFAOYSA-N -1 0 341.330 3.409 20 30 EGEDRM O=C([N-]CCNc1ccc(OC(F)(F)C(F)F)cc1)C(F)(F)F ZINC001164244134 1383170805 /nfs/dbraw/zinc/17/08/05/1383170805.db2.gz WLBDJIKZPZLFCQ-UHFFFAOYSA-N -1 0 348.218 3.014 20 30 EGEDRM C=CC[C@H](NC(=O)Nc1ccc(OCCC(C)C)c(F)c1)C(=O)[O-] ZINC001329000695 1388925109 /nfs/dbraw/zinc/92/51/09/1388925109.db2.gz SEBHPRFPISXTLJ-AWEZNQCLSA-N -1 0 338.379 3.401 20 30 EGEDRM N#Cc1cnn(-c2ccc(F)cc2)c1Nc1ccc(C(=O)[O-])c(F)c1 ZINC001175154677 1385206694 /nfs/dbraw/zinc/20/66/94/1385206694.db2.gz QDTBWKCXHGUFGS-UHFFFAOYSA-N -1 0 340.289 3.464 20 30 EGEDRM COC(=O)c1cc(Nc2ccc(C(=O)[O-])c(Cl)c2)ccc1C#N ZINC001175322044 1385252808 /nfs/dbraw/zinc/25/28/08/1385252808.db2.gz RBGQJQWOLAVUMV-UHFFFAOYSA-N -1 0 330.727 3.440 20 30 EGEDRM COC(=O)c1scc(C#N)c1Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC001176590488 1385634056 /nfs/dbraw/zinc/63/40/56/1385634056.db2.gz YTOYKVISHKRCQO-QPJJXVBHSA-N -1 0 328.349 3.248 20 30 EGEDRM CCCCC[C@H](C(=O)[N-]S(=O)(=O)c1ccccc1C#N)C(C)C ZINC001319063267 1385950077 /nfs/dbraw/zinc/95/00/77/1385950077.db2.gz WFDIBJPZFYYJIZ-HNNXBMFYSA-N -1 0 336.457 3.216 20 30 EGEDRM C=CC[C@H](NC(=O)NCCc1cccc(-c2ccccc2)c1)C(=O)[O-] ZINC001329232482 1389030312 /nfs/dbraw/zinc/03/03/12/1389030312.db2.gz RGDKEKLQXNRFLI-SFHVURJKSA-N -1 0 338.407 3.225 20 30 EGEDRM C=C1CCC(C(=O)[N-]S(=O)(=O)Cc2ccc(Cl)cc2)CC1 ZINC001331483740 1389765686 /nfs/dbraw/zinc/76/56/86/1389765686.db2.gz BZFFFNMNARQBSN-UHFFFAOYSA-N -1 0 327.833 3.032 20 30 EGEDRM CCSc1cc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)ccn1 ZINC001341915194 1390549189 /nfs/dbraw/zinc/54/91/89/1390549189.db2.gz PTSNJWXUAJICDR-ZDUSSCGKSA-N -1 0 349.419 3.209 20 30 EGEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(-c2cccs2)s1 ZINC001342583868 1390629158 /nfs/dbraw/zinc/62/91/58/1390629158.db2.gz NCLWYNURJXCAKL-NSHDSACASA-N -1 0 330.434 3.421 20 30 EGEDRM N#CC(=C([O-])C=Cc1cccc(F)c1)c1nc(N)c2ccccc2n1 ZINC001343272843 1390704020 /nfs/dbraw/zinc/70/40/20/1390704020.db2.gz LUNKBFQQVYSPTE-XVJNWHFHSA-N -1 0 332.338 3.241 20 30 EGEDRM C=CC[C@H](NC(=O)[C@@H](CC)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC001344553863 1390799120 /nfs/dbraw/zinc/79/91/20/1390799120.db2.gz VNBFLHHLJWLKEJ-STQMWFEESA-N -1 0 329.318 3.345 20 30 EGEDRM Cn1ncc(C([O-])=C(C#N)c2cccc(F)n2)c1Cc1ccccc1 ZINC001347173385 1391018143 /nfs/dbraw/zinc/01/81/43/1391018143.db2.gz ZAUNZJFXUURGKG-AWEZNQCLSA-N -1 0 334.354 3.035 20 30 EGEDRM C[C@]1(C#N)CCCN(c2ccc(-c3nn[n-]n3)cc2C(F)(F)F)C1 ZINC000824776974 1429376515 /nfs/dbraw/zinc/37/65/15/1429376515.db2.gz GFBGLLHRKKOGJD-CQSZACIVSA-N -1 0 336.321 3.016 20 30 EGEDRM C[C@@H](N=Cc1cc2ccccc2[nH]c1=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820308909 1429445644 /nfs/dbraw/zinc/44/56/44/1429445644.db2.gz ZKZZMBAZJILPJN-WXYNYTDUSA-N -1 0 344.378 3.301 20 30 EGEDRM CCc1ccc(CN=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)s1 ZINC000736683356 1424938868 /nfs/dbraw/zinc/93/88/68/1424938868.db2.gz QCBYRVBAECHMSX-UHFFFAOYSA-N -1 0 345.432 3.222 20 30 EGEDRM Brc1ccc(NN=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000823832665 1426485970 /nfs/dbraw/zinc/48/59/70/1426485970.db2.gz SDORTSAMYKJIKL-UHFFFAOYSA-N -1 0 343.188 3.075 20 30 EGEDRM C=C[C@H](C)NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000819729220 1426496925 /nfs/dbraw/zinc/49/69/25/1426496925.db2.gz FNBKKTBQQYHVBJ-ZDUSSCGKSA-N -1 0 349.394 3.272 20 30 EGEDRM FC(F)(F)c1cc(NN=Cc2cccs2)ccc1-c1nn[n-]n1 ZINC000737633463 1426526982 /nfs/dbraw/zinc/52/69/82/1426526982.db2.gz SHKSSUQPJYNWLI-UHFFFAOYSA-N -1 0 338.318 3.393 20 30 EGEDRM FC(F)(F)c1cccc(NN=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000826368963 1427606697 /nfs/dbraw/zinc/60/66/97/1427606697.db2.gz HXLLFIYUSHRSPS-UHFFFAOYSA-N -1 0 332.289 3.332 20 30 EGEDRM Cc1cc(C)c2c(c1)OCC(=Cc1cc(-c3nnn[n-]3)cs1)C2=O ZINC000822195236 1427695039 /nfs/dbraw/zinc/69/50/39/1427695039.db2.gz LGNVMZAMYACQEV-VZUCSPMQSA-N -1 0 338.392 3.204 20 30 EGEDRM N#Cc1ccc(NCc2cc(-c3nn[n-]n3)ccc2F)cc1Cl ZINC000822832752 1429872278 /nfs/dbraw/zinc/87/22/78/1429872278.db2.gz FSNDJYSGRDTRPH-UHFFFAOYSA-N -1 0 328.738 3.143 20 30 EGEDRM COc1ccc(C=CC(=O)c2ccc(Cl)s2)cc1-c1nn[n-]n1 ZINC000737081942 1441464957 /nfs/dbraw/zinc/46/49/57/1441464957.db2.gz SAYFHBGNPJBCRM-DUXPYHPUSA-N -1 0 346.799 3.486 20 30 EGEDRM Cc1cccc(-c2n[nH]cc2C=NNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826295593 1441616513 /nfs/dbraw/zinc/61/65/13/1441616513.db2.gz OLWMCSGIYYKWEF-UHFFFAOYSA-N -1 0 344.382 3.011 20 30 EGEDRM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1cccnc1Cl ZINC000823504500 1441644832 /nfs/dbraw/zinc/64/48/32/1441644832.db2.gz QYBCADWIFMZHTH-LUAWRHEFSA-N -1 0 337.770 3.128 20 30 EGEDRM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ccc(-n2cccn2)cc1 ZINC000822922318 1441858789 /nfs/dbraw/zinc/85/87/89/1441858789.db2.gz FMMAJYSSJYUXRQ-VOTSOKGWSA-N -1 0 348.391 3.010 20 30 EGEDRM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1c[nH]c2cc(F)ccc12 ZINC000822922204 1443078691 /nfs/dbraw/zinc/07/86/91/1443078691.db2.gz DGQDLWSTPHLTIA-DJWKRKHSSA-N -1 0 339.355 3.445 20 30 EGEDRM N#Cc1ccc(Oc2ncc(-c3nn[n-]n3)cc2Cl)c(Cl)c1 ZINC000737721365 1443082025 /nfs/dbraw/zinc/08/20/25/1443082025.db2.gz JKTRTTZRYSMZQW-UHFFFAOYSA-N -1 0 333.138 3.232 20 30 EGEDRM FC(F)(F)Oc1ccc(NN=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000826368644 1443118406 /nfs/dbraw/zinc/11/84/06/1443118406.db2.gz XNJHBLQOCCRVMT-UHFFFAOYSA-N -1 0 348.288 3.211 20 30 EGEDRM COc1ccc(C)cc1C=C1CCc2cc(-c3nn[n-]n3)ccc2C1=O ZINC000821782223 1443190521 /nfs/dbraw/zinc/19/05/21/1443190521.db2.gz BPDADGPSLWDNEA-KAMYIIQDSA-N -1 0 346.390 3.396 20 30 EGEDRM O=C(C=Cc1cc(F)c(F)cc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000822923583 1443300880 /nfs/dbraw/zinc/30/08/80/1443300880.db2.gz SYKUWBYDUKGYNF-SNAWJCMRSA-N -1 0 330.269 3.180 20 30 EGEDRM Cn1cc(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)c2ccccc21 ZINC000737604622 1443336214 /nfs/dbraw/zinc/33/62/14/1443336214.db2.gz ZLMQRZNVHQTHLZ-KTKRTIGZSA-N -1 0 329.363 3.255 20 30 EGEDRM O=C(C=Cc1cc(F)c(F)c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737795483 1443503851 /nfs/dbraw/zinc/50/38/51/1443503851.db2.gz KXYOYSAGMJOYET-BHQIHCQQSA-N -1 0 330.269 3.180 20 30 EGEDRM COc1ccc2c(c1)C(=O)C(=Cc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000737113326 1443528833 /nfs/dbraw/zinc/52/88/33/1443528833.db2.gz BXUHZYCSAXIURV-XNTDXEJSSA-N -1 0 332.363 3.088 20 30 EGEDRM Cc1cccc(C=NNc2cccc(-c3nn[n-]n3)c2)c1OC(F)F ZINC000826297363 1443556486 /nfs/dbraw/zinc/55/64/86/1443556486.db2.gz FBNCRLPRBWEZJD-UHFFFAOYSA-N -1 0 344.325 3.223 20 30 EGEDRM C=CCN(Cc1ccccc1F)Cc1cc(F)ccc1-c1nn[n-]n1 ZINC000819745448 1446295716 /nfs/dbraw/zinc/29/57/16/1446295716.db2.gz DHSYDDXXHMLJAV-UHFFFAOYSA-N -1 0 341.365 3.333 20 30 EGEDRM C=CCSCCNc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000819759412 1447141203 /nfs/dbraw/zinc/14/12/03/1447141203.db2.gz WZZAMBUIPTYGLY-UHFFFAOYSA-N -1 0 329.351 3.217 20 30 EGEDRM C#CCCCC(=O)N[C@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000909758380 939727507 /nfs/dbraw/zinc/72/75/07/939727507.db2.gz MEQILCGDYAICHZ-HNNXBMFYSA-N -1 0 328.195 3.213 20 30 EGEDRM Cc1cc(C)c(NC(=O)[C@](C)(C#N)CC(=O)[O-])cc1Br ZINC001611136932 970907622 /nfs/dbraw/zinc/90/76/22/970907622.db2.gz NKPHKYSADDKGCM-AWEZNQCLSA-N -1 0 339.189 3.009 20 30 EGEDRM N#Cc1cccc(C(=O)Nc2ccccc2C(=O)[O-])c1Br ZINC001601116870 970936139 /nfs/dbraw/zinc/93/61/39/970936139.db2.gz RJLWBNDNXYBDNH-UHFFFAOYSA-N -1 0 345.152 3.271 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)N[C@@H](c1oc2ccccc2c1C)C(C)C ZINC001602683947 971276711 /nfs/dbraw/zinc/27/67/11/971276711.db2.gz MLEXPAZEZRNIGW-QGZVFWFLSA-N -1 0 342.395 3.168 20 30 EGEDRM C[C@](C#N)(CCc1ccccc1)NC(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001602781507 971524868 /nfs/dbraw/zinc/52/48/68/971524868.db2.gz AQKKPOCFVPZSDC-LHUXKHBRSA-N -1 0 338.363 3.022 20 30 EGEDRM CC[C@]1(C(=O)[O-])CCCN(C(=O)Nc2cc(C#N)c(F)cc2C)C1 ZINC001589597331 949168921 /nfs/dbraw/zinc/16/89/21/949168921.db2.gz IALXMTVAFJRRDN-KRWDZBQOSA-N -1 0 333.363 3.115 20 30 EGEDRM CCCNc1ccc(C#N)cc1NC(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001589677924 950023374 /nfs/dbraw/zinc/02/33/74/950023374.db2.gz YALHKLBZERDKDW-YVMONPNESA-N -1 0 339.351 3.323 20 30 EGEDRM CC(C)(C(=O)N1CCC(CCC(=O)[O-])CC1)c1cc(F)cc(C#N)c1 ZINC001602831096 971657346 /nfs/dbraw/zinc/65/73/46/971657346.db2.gz POAZBTCQEVMDJR-UHFFFAOYSA-N -1 0 346.402 3.078 20 30 EGEDRM C=CC[C@H](NC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1ccncc1 ZINC000848579586 955751417 /nfs/dbraw/zinc/75/14/17/955751417.db2.gz IMWGPFJDNMFGKF-HNKHHVNMSA-N -1 0 345.443 3.133 20 30 EGEDRM N#CCSc1cccc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)c1 ZINC001594610993 956209220 /nfs/dbraw/zinc/20/92/20/956209220.db2.gz FGKWAAQSXRPILX-CYBMUJFWSA-N -1 0 332.425 3.019 20 30 EGEDRM N#Cc1ccccc1N(Cc1ccco1)C(=O)c1ccc(C(=O)[O-])cn1 ZINC001594631474 956343173 /nfs/dbraw/zinc/34/31/73/956343173.db2.gz CVRIKTSUJIQZAL-UHFFFAOYSA-N -1 0 347.330 3.091 20 30 EGEDRM C[C@]1(C(=O)[O-])CCCN1C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC001589188899 956585107 /nfs/dbraw/zinc/58/51/07/956585107.db2.gz LGFMZJGTNKHJQF-HXUWFJFHSA-N -1 0 349.390 3.381 20 30 EGEDRM CC(C)(C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1)c1ccc(C#N)cc1 ZINC000902070640 956640396 /nfs/dbraw/zinc/64/03/96/956640396.db2.gz UADULTLZTPXZPG-GOSISDBHSA-N -1 0 348.402 3.046 20 30 EGEDRM COc1cccc(/C=C/C(=O)c2ccc(OCC(=O)[O-])cc2)c1OC ZINC000008321911 956886105 /nfs/dbraw/zinc/88/61/05/956886105.db2.gz XKPVOUDSCPDGRC-DHZHZOJOSA-N -1 0 342.347 3.063 20 30 EGEDRM Cc1cc(C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc(C)c1C#N ZINC001594277617 957726073 /nfs/dbraw/zinc/72/60/73/957726073.db2.gz GRVDYZIDTJAEQT-VBNZEHGJSA-N -1 0 328.412 3.040 20 30 EGEDRM C#C[C@H](NC(=O)[C@H](C(=O)[O-])C1CCCC1)c1ccc(Cl)cc1F ZINC001588388063 957991877 /nfs/dbraw/zinc/99/18/77/957991877.db2.gz PCBAQGUOEXKGRG-LSDHHAIUSA-N -1 0 337.778 3.161 20 30 EGEDRM C#C[C@H](NC(=O)C1(C(=O)[O-])CCCCC1)c1ccc(Cl)cc1F ZINC001588388255 957993746 /nfs/dbraw/zinc/99/37/46/957993746.db2.gz QYOORVMLPIEOLE-AWEZNQCLSA-N -1 0 337.778 3.305 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)Nc1cccc(-c2ccc(F)c(F)c2)c1 ZINC001588412435 958151518 /nfs/dbraw/zinc/15/15/18/958151518.db2.gz GFIPMDBKPIMNIR-UHFFFAOYSA-N -1 0 344.317 3.184 20 30 EGEDRM Cc1cc(Nc2cc(C#N)c(Br)cn2)ccc1C(=O)[O-] ZINC001594325342 958163835 /nfs/dbraw/zinc/16/38/35/958163835.db2.gz QZFAHCXIFMRJKY-UHFFFAOYSA-N -1 0 332.157 3.466 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)c1cc(Cl)ccc1SCCCC ZINC001588416978 958167625 /nfs/dbraw/zinc/16/76/25/958167625.db2.gz ZYIBLZVLWPLTBQ-UHFFFAOYSA-N -1 0 339.844 3.392 20 30 EGEDRM C=CCOc1ccc(CNC(=O)N2CCCC[C@@H]2CCC(=O)[O-])cc1 ZINC001356632167 958184711 /nfs/dbraw/zinc/18/47/11/958184711.db2.gz XCHTWGNBEIUVON-MRXNPFEDSA-N -1 0 346.427 3.180 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=S)Nc1c(Cl)ccc(C)c1Cl ZINC001588419660 958193875 /nfs/dbraw/zinc/19/38/75/958193875.db2.gz ADJKBTXTEPTTSC-UHFFFAOYSA-N -1 0 331.224 3.018 20 30 EGEDRM C=CCCN(OCc1ccccc1)C(=O)C1(C(=O)[O-])CCSCC1 ZINC001573328117 958496394 /nfs/dbraw/zinc/49/63/94/958496394.db2.gz AYBYLZBOWWDLFL-UHFFFAOYSA-N -1 0 349.452 3.121 20 30 EGEDRM C=CCNC(=O)Nc1ccc(NCc2ccc(C(=O)[O-])s2)cc1 ZINC001588465696 958507271 /nfs/dbraw/zinc/50/72/71/958507271.db2.gz YKZKIWYILGQTSY-UHFFFAOYSA-N -1 0 331.397 3.366 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCC[C@@H](c2ccccc2)CC1 ZINC001588538956 958948592 /nfs/dbraw/zinc/94/85/92/958948592.db2.gz RSHGEGHAEJOCQP-GPMSIDNRSA-N -1 0 328.412 3.224 20 30 EGEDRM C[C@H](C#N)CSc1ccccc1NC(=O)N([C@H](C)C(=O)[O-])C1CC1 ZINC001588543427 958978087 /nfs/dbraw/zinc/97/80/87/958978087.db2.gz LQCIGKPXRXJHRK-VXGBXAGGSA-N -1 0 347.440 3.408 20 30 EGEDRM C[C@H](C#N)Oc1ccccc1NC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC001588545402 958996567 /nfs/dbraw/zinc/99/65/67/958996567.db2.gz SPGLCKQLMQFDNE-KGLIPLIRSA-N -1 0 345.399 3.229 20 30 EGEDRM C[C@@H]1CCC[C@H](C(=O)[O-])N1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC001594214232 959317403 /nfs/dbraw/zinc/31/74/03/959317403.db2.gz WHRRWUYZJZTKQI-IUODEOHRSA-N -1 0 341.329 3.264 20 30 EGEDRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 ZINC001588630948 959607315 /nfs/dbraw/zinc/60/73/15/959607315.db2.gz STHDPXZBFHGTDD-BXKDBHETSA-N -1 0 334.372 3.359 20 30 EGEDRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)c2ccccc2-c2ccccc2C#N)C1 ZINC001573699978 959822261 /nfs/dbraw/zinc/82/22/61/959822261.db2.gz YGIKJEZVIUBEOL-ZBFHGGJFSA-N -1 0 348.402 3.408 20 30 EGEDRM C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC(CCC(=O)[O-])CC1 ZINC001263072745 960868026 /nfs/dbraw/zinc/86/80/26/960868026.db2.gz IYUSPRYHADKUQY-SFHVURJKSA-N -1 0 344.455 3.460 20 30 EGEDRM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)c3ccon3)c2)c1 ZINC000238200564 961154054 /nfs/dbraw/zinc/15/40/54/961154054.db2.gz ITASDFAIKZFLGL-UHFFFAOYSA-N -1 0 332.315 3.025 20 30 EGEDRM N#Cc1ccc(Oc2ccc(NC(=O)[C@@H](C(=O)[O-])C3CC3)cc2)cc1 ZINC001574487359 961687608 /nfs/dbraw/zinc/68/76/08/961687608.db2.gz AIEZPVTZLNFCNA-KRWDZBQOSA-N -1 0 336.347 3.400 20 30 EGEDRM N#Cc1ccc(Oc2cccc(NC(=O)[C@@H](C(=O)[O-])C3CC3)c2)cc1 ZINC001574487763 961689157 /nfs/dbraw/zinc/68/91/57/961689157.db2.gz GFLIPMKWHVCNKS-KRWDZBQOSA-N -1 0 336.347 3.400 20 30 EGEDRM CCC(CC)(CNC(=O)N(C)[C@@H](C)c1cccc(C#N)c1)C(=O)[O-] ZINC001341254428 962121887 /nfs/dbraw/zinc/12/18/87/962121887.db2.gz ADOGPAPOIKXKMK-ZDUSSCGKSA-N -1 0 331.416 3.152 20 30 EGEDRM C#CCN(C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)[C@H]1CCCc2ccccc21 ZINC001573301475 962628661 /nfs/dbraw/zinc/62/86/61/962628661.db2.gz CWYNFHFJTVBKGB-AOIWGVFYSA-N -1 0 339.435 3.417 20 30 EGEDRM C#CCOc1cc(F)ccc1NC(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC001573311746 962712108 /nfs/dbraw/zinc/71/21/08/962712108.db2.gz XTEPMCHHERFVSA-UHFFFAOYSA-N -1 0 342.326 3.488 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)c1cc(Cl)cc(Br)c1)C(=O)[O-] ZINC001573321071 962754407 /nfs/dbraw/zinc/75/44/07/962754407.db2.gz ILHMBAOVYQRZCL-LLVKDONJSA-N -1 0 346.608 3.252 20 30 EGEDRM C=C(CC(C)C)C(=O)NC[C@H](Cc1ccc(OCC)cc1)C(=O)[O-] ZINC001573325464 962795922 /nfs/dbraw/zinc/79/59/22/962795922.db2.gz JTDYWWGIVJJWOU-INIZCTEOSA-N -1 0 333.428 3.047 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N[C@H](c1ccccc1)c1cccc(F)c1 ZINC001573332736 962841155 /nfs/dbraw/zinc/84/11/55/962841155.db2.gz OEIYYCIZCOVZAG-GOSISDBHSA-N -1 0 327.355 3.452 20 30 EGEDRM C=CC[C@H](NC(=O)c1[nH]c2ccccc2c1CC(=O)[O-])c1ccncc1 ZINC001573350151 962965900 /nfs/dbraw/zinc/96/59/00/962965900.db2.gz DBMLNZIIMIVQHN-INIZCTEOSA-N -1 0 349.390 3.237 20 30 EGEDRM CN(CCCC(=O)[O-])C(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC001604157559 972571140 /nfs/dbraw/zinc/57/11/40/972571140.db2.gz NDKCKMULJKVOEM-UHFFFAOYSA-N -1 0 342.420 3.476 20 30 EGEDRM CN(CCCC(=O)[O-])C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC001604157779 972574523 /nfs/dbraw/zinc/57/45/23/972574523.db2.gz WPKBBSVGARPYHF-UHFFFAOYSA-N -1 0 336.391 3.415 20 30 EGEDRM COc1cc(C#N)cc(Cl)c1OC(=O)Cc1ccccc1C(=O)[O-] ZINC001604684872 973877736 /nfs/dbraw/zinc/87/77/36/973877736.db2.gz GREVZIZPRBNKPV-UHFFFAOYSA-N -1 0 345.738 3.067 20 30 EGEDRM N#Cc1ccc(CNC(=O)Nc2ccccc2CC(=O)[O-])cc1Cl ZINC001605602195 973911249 /nfs/dbraw/zinc/91/12/49/973911249.db2.gz SVJJJAIGIZLYFA-UHFFFAOYSA-N -1 0 343.770 3.160 20 30 EGEDRM CC(C)n1cc2c(n1)[C@H](N[C@@H](C(=O)[O-])c1ccc(C#N)cc1)CCC2 ZINC001592130732 976960773 /nfs/dbraw/zinc/96/07/73/976960773.db2.gz HQBAXELZPNAGJE-SJLPKXTDSA-N -1 0 338.411 3.129 20 30 EGEDRM C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc(C(=O)[O-])ccn1 ZINC001592225765 977412734 /nfs/dbraw/zinc/41/27/34/977412734.db2.gz NHGNBOFRUHODMZ-NSHDSACASA-N -1 0 341.392 3.426 20 30 EGEDRM COc1cc(NC(C)=O)ccc1C(=O)/C=C\c1ccc(C(=O)[O-])cc1 ZINC000747691474 978686532 /nfs/dbraw/zinc/68/65/32/978686532.db2.gz BJSZXRKPRPMXFA-YHYXMXQVSA-N -1 0 339.347 3.248 20 30 EGEDRM COc1ccccc1-c1ncc(C=NNc2cccc(C(=O)[O-])c2)cn1 ZINC000792873808 978800935 /nfs/dbraw/zinc/80/09/35/978800935.db2.gz UCNSUCARANMIFK-UHFFFAOYSA-N -1 0 348.362 3.296 20 30 EGEDRM CC(N=Nc1ccc(S(C)(=O)=O)cc1)[C@@H](C)CCCCC(=O)[O-] ZINC000814802453 978886672 /nfs/dbraw/zinc/88/66/72/978886672.db2.gz IJJLSJPKZLJFLR-LBPRGKRZSA-N -1 0 340.445 3.159 20 30 EGEDRM CCc1cc(N=NCc2cccc(C(=O)[O-])c2)nc(-c2ccccn2)n1 ZINC000814841424 978891600 /nfs/dbraw/zinc/89/16/00/978891600.db2.gz BSRCYWBMAQZLAV-UHFFFAOYSA-N -1 0 347.378 3.245 20 30 EGEDRM Cc1cc(Br)cnc1N=NC1CC[C@H](CC(=O)[O-])[C@@H]1C ZINC000819828718 978925054 /nfs/dbraw/zinc/92/50/54/978925054.db2.gz NNVHECNUEJVIEB-VHSXEESVSA-N -1 0 340.221 3.441 20 30 EGEDRM COc1ccc(CNc2ccc(CN(C)C(=O)[O-])cc2)cc1C#N ZINC000832358381 979044657 /nfs/dbraw/zinc/04/46/57/979044657.db2.gz WSABRAUKHFVJSL-UHFFFAOYSA-N -1 0 325.368 3.289 20 30 EGEDRM C[C@H](Oc1ccc(C=NN[C@H]2CCc3c2cccc3F)cc1)C(=O)[O-] ZINC000835022348 979245293 /nfs/dbraw/zinc/24/52/93/979245293.db2.gz ZSSZKACQVPXWGO-SGTLLEGYSA-N -1 0 342.370 3.289 20 30 EGEDRM C=CCc1cc(C(=O)N[C@@H](C[C@H](C)CC)C(=O)[O-])cc(OC)c1OC ZINC000844158833 979350513 /nfs/dbraw/zinc/35/05/13/979350513.db2.gz UDYJLMNPUQRBTC-DOMZBBRYSA-N -1 0 349.427 3.052 20 30 EGEDRM CC[C@](C/N=C/c1cccc(OC)c1O)(C(=O)[O-])c1ccccc1 ZINC001595131092 979547656 /nfs/dbraw/zinc/54/76/56/979547656.db2.gz JQBOCHSEJNDEMC-FUNKKEAFSA-N -1 0 327.380 3.252 20 30 EGEDRM C=C(C)C[C@H](NC(=O)c1cccc(NC(=O)OC(C)(C)C)c1)C(=O)[O-] ZINC000864188895 979838154 /nfs/dbraw/zinc/83/81/54/979838154.db2.gz XHAOFOCDCJMEEB-AWEZNQCLSA-N -1 0 348.399 3.183 20 30 EGEDRM CC[C@@H]([NH2+]Cc1ccc(Cl)c(C(=O)[O-])n1)c1cccc(C#N)c1[O-] ZINC001595300436 980434180 /nfs/dbraw/zinc/43/41/80/980434180.db2.gz QCPKXDKQKXEHCP-CQSZACIVSA-N -1 0 345.786 3.251 20 30 EGEDRM C=C(C)C[C@H](NC(=O)Cc1ccccc1OC1CCCC1)C(=O)[O-] ZINC000910291736 981846967 /nfs/dbraw/zinc/84/69/67/981846967.db2.gz AREYHQIYFNWSOR-INIZCTEOSA-N -1 0 331.412 3.086 20 30 EGEDRM CCCC[C@@H](S[C@H]1CCN(c2sccc2C#N)C1=O)C(=O)[O-] ZINC001595655873 982048316 /nfs/dbraw/zinc/04/83/16/982048316.db2.gz QCNJMWTUXLQDDM-NWDGAFQWSA-N -1 0 338.454 3.102 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1c(C)nn(-c2ccccc2)c1C)C(=O)[O-] ZINC000910919249 982164069 /nfs/dbraw/zinc/16/40/69/982164069.db2.gz VOCAKYRRXMTRNE-INIZCTEOSA-N -1 0 341.411 3.028 20 30 EGEDRM N#C[C@]1(C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)CC12CCCC2 ZINC000923066729 982704641 /nfs/dbraw/zinc/70/46/41/982704641.db2.gz NMSDGWYUNZQPCY-IBGZPJMESA-N -1 0 342.395 3.343 20 30 EGEDRM CCCN(C(=O)c1cccc(CC(=O)[O-])c1)c1snc(C)c1C#N ZINC001595829864 982716350 /nfs/dbraw/zinc/71/63/50/982716350.db2.gz GJNAZLXZEXYYTL-UHFFFAOYSA-N -1 0 343.408 3.007 20 30 EGEDRM C[C@H](Oc1ccc(NC(=O)[C@@]2(C#N)CC23CCCC3)cc1F)C(=O)[O-] ZINC000923098686 982723188 /nfs/dbraw/zinc/72/31/88/982723188.db2.gz NKCXEPORHPUWHS-VOJFVSQTSA-N -1 0 346.358 3.090 20 30 EGEDRM CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC001595885687 982907756 /nfs/dbraw/zinc/90/77/56/982907756.db2.gz BBVLRXRMQDBUBG-CSKARUKUSA-N -1 0 338.363 3.301 20 30 EGEDRM CCCNc1ccc(C#N)cc1NC(=O)c1oc(C(=O)[O-])cc1C ZINC001595936618 983077110 /nfs/dbraw/zinc/07/71/10/983077110.db2.gz IWNMKANFIYDXNE-UHFFFAOYSA-N -1 0 327.340 3.232 20 30 EGEDRM C#C[C@H](NC(=O)Nc1cccc(C(=O)[O-])c1C)c1ccc(F)cc1 ZINC001588374549 983345191 /nfs/dbraw/zinc/34/51/91/983345191.db2.gz ZKRZGBIMVFGEQG-HNNXBMFYSA-N -1 0 326.327 3.328 20 30 EGEDRM C#C[C@H](NC(=O)c1ccc(C(=O)[O-])c(F)c1)c1ccc(Cl)cc1 ZINC001588377600 983357641 /nfs/dbraw/zinc/35/76/41/983357641.db2.gz NKZQXZAPYNYHTI-HNNXBMFYSA-N -1 0 331.730 3.282 20 30 EGEDRM CCCc1nc(C)c(CON=C(C)c2ccc(OCC(=O)[O-])cc2)o1 ZINC001596083297 983404434 /nfs/dbraw/zinc/40/44/34/983404434.db2.gz KGBKUBVGGKUZEB-UHFFFAOYSA-N -1 0 346.383 3.340 20 30 EGEDRM C#CCC1(NC(=O)Nc2ccc(CC(=O)[O-])c(F)c2)CCCCC1 ZINC001588427607 983457129 /nfs/dbraw/zinc/45/71/29/983457129.db2.gz FTMZFLJOQRRLDX-UHFFFAOYSA-N -1 0 332.375 3.301 20 30 EGEDRM C#CCCOc1ccc(CNc2ccc(C(=O)[O-])c(OC)c2)cc1 ZINC001588457768 983482553 /nfs/dbraw/zinc/48/25/53/983482553.db2.gz HJFCXSJCHYCQHG-UHFFFAOYSA-N -1 0 325.364 3.408 20 30 EGEDRM C#CCOc1ccccc1-c1noc(C23CCC(C(=O)[O-])(CC2)C3)n1 ZINC001588504201 983546706 /nfs/dbraw/zinc/54/67/06/983546706.db2.gz MDSRTLLVDAYVTF-UHFFFAOYSA-N -1 0 338.363 3.035 20 30 EGEDRM C#CCOc1ccccc1NC(=O)Nc1ccc(C(=O)[O-])c(OC)c1 ZINC001588504951 983549249 /nfs/dbraw/zinc/54/92/49/983549249.db2.gz PGBJSALEQVVSIY-UHFFFAOYSA-N -1 0 340.335 3.049 20 30 EGEDRM C#Cc1cccc(NC(=O)N[C@H](C)[C@H](Cc2ccccc2)C(=O)[O-])c1 ZINC001588524655 983575911 /nfs/dbraw/zinc/57/59/11/983575911.db2.gz PJMBXYJVMJTHCV-KDOFPFPSSA-N -1 0 336.391 3.121 20 30 EGEDRM C#Cc1ccccc1CC(=O)O[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC001588528920 983578840 /nfs/dbraw/zinc/57/88/40/983578840.db2.gz MABDJRFQSKDPMV-KRWDZBQOSA-N -1 0 346.741 3.372 20 30 EGEDRM C=C(C)[C@@H](NC(=O)c1ccoc1CC(=O)[O-])c1ccc(F)c(F)c1 ZINC001588534062 983585053 /nfs/dbraw/zinc/58/50/53/983585053.db2.gz DVLSFPJYDFICMX-MRXNPFEDSA-N -1 0 335.306 3.232 20 30 EGEDRM C=C(C)CN(CC)S(=O)(=O)c1cccc2c(C(=O)[O-])cccc21 ZINC001588567561 983646847 /nfs/dbraw/zinc/64/68/47/983646847.db2.gz MVRQHFVFTYGSJG-UHFFFAOYSA-N -1 0 333.409 3.125 20 30 EGEDRM C=C(C)Cc1cccc(C(=O)OC)c1OCc1cccc(C(=O)[O-])n1 ZINC001588576954 983655003 /nfs/dbraw/zinc/65/50/03/983655003.db2.gz IWCLCBWGBKMCOC-UHFFFAOYSA-N -1 0 341.363 3.264 20 30 EGEDRM C=C(CC(C)C)C(=O)N1CCN(c2ccc(C(=O)[O-])cc2)C[C@H]1C ZINC001588605893 983695148 /nfs/dbraw/zinc/69/51/48/983695148.db2.gz QMDFMOIVRQRALQ-OAHLLOKOSA-N -1 0 330.428 3.024 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H](C)c1nc2ccccc2n1C(F)F ZINC001588621548 983719748 /nfs/dbraw/zinc/71/97/48/983719748.db2.gz GJUIJCYJDVUOCZ-JTQLQIEISA-N -1 0 337.326 3.030 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1c(-c2ccccc2)nc2ccccn21 ZINC001588630403 983743891 /nfs/dbraw/zinc/74/38/91/983743891.db2.gz KIVPTGCFIXFCDU-UHFFFAOYSA-N -1 0 335.363 3.361 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1nc2ccccc2n1-c1ccccc1 ZINC001588632926 983746988 /nfs/dbraw/zinc/74/69/88/983746988.db2.gz FLPBPBZJILCTAB-UHFFFAOYSA-N -1 0 335.363 3.385 20 30 EGEDRM C=C[C@@](C)(CC)C(=O)N[C@H](CC(=O)[O-])Cc1cc(F)c(F)cc1F ZINC001588681283 983839165 /nfs/dbraw/zinc/83/91/65/983839165.db2.gz VFIPFQKNOORVDG-GTNSWQLSSA-N -1 0 343.345 3.208 20 30 EGEDRM C=C[C@H](OC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC001588712451 983944341 /nfs/dbraw/zinc/94/43/41/983944341.db2.gz LNNLZWHIIWKSIZ-HNNXBMFYSA-N -1 0 327.292 3.377 20 30 EGEDRM C=CC[C@H](C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)[O-])c1ccccc1 ZINC001588720578 983968279 /nfs/dbraw/zinc/96/82/79/983968279.db2.gz BBYFLVMDRLQEDQ-ZWKOTPCHSA-N -1 0 341.382 3.298 20 30 EGEDRM C=CC[C@H](Nc1ccc(Cc2nnc3n2CCCCC3)cc1)C(=O)[O-] ZINC001588749992 984068454 /nfs/dbraw/zinc/06/84/54/984068454.db2.gz BCIAVKXSOJJQMN-INIZCTEOSA-N -1 0 340.427 3.037 20 30 EGEDRM C=CCC1(C(=O)N[C@@](C)(CC(=O)[O-])c2ccncc2)CCCCC1 ZINC001588762757 984117440 /nfs/dbraw/zinc/11/74/40/984117440.db2.gz MKTZCYKTAXXFHQ-SFHVURJKSA-N -1 0 330.428 3.414 20 30 EGEDRM C=CC[C@H]1CCCC[C@H]1NS(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC001588771691 984140816 /nfs/dbraw/zinc/14/08/16/984140816.db2.gz XXRVMSGNXCPSTN-UONOGXRCSA-N -1 0 337.441 3.106 20 30 EGEDRM C=CCCC(C)(C)CNC(=O)Nc1ccc2cnn(CC(=O)[O-])c2c1 ZINC001588777335 984155838 /nfs/dbraw/zinc/15/58/38/984155838.db2.gz ZSDURVLVLVRNPA-UHFFFAOYSA-N -1 0 344.415 3.235 20 30 EGEDRM C=CCCC[C@H](NC(=O)CCOc1ccccc1Cl)C(=O)[O-] ZINC001588788566 984191014 /nfs/dbraw/zinc/19/10/14/984191014.db2.gz HESRYRPKCCOYHT-ZDUSSCGKSA-N -1 0 325.792 3.035 20 30 EGEDRM C=CCCC[C@@H](NC(=O)C1(c2ccc(C)c(OC)c2)CCC1)C(=O)[O-] ZINC001588789909 984202342 /nfs/dbraw/zinc/20/23/42/984202342.db2.gz MTHPGSFCLQEXKM-MRXNPFEDSA-N -1 0 345.439 3.351 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1cc(Cl)ccc1OC(F)F)C(=O)[O-] ZINC001588793236 984217124 /nfs/dbraw/zinc/21/71/24/984217124.db2.gz USQXHQKSZICFRS-NSHDSACASA-N -1 0 347.745 3.481 20 30 EGEDRM C=CCCN(OCc1ccccc1)C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001588807274 984258716 /nfs/dbraw/zinc/25/87/16/984258716.db2.gz GPADMIONKGSRLX-SJORKVTESA-N -1 0 346.427 3.349 20 30 EGEDRM C=CCCO[C@@H](C)C(=O)Oc1ccc(C(=O)[O-])cc1Br ZINC001588808817 984263657 /nfs/dbraw/zinc/26/36/57/984263657.db2.gz NSIPQYUFSZNLHK-VIFPVBQESA-N -1 0 343.173 3.034 20 30 EGEDRM C=CCN(CCOC)C(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC001588828629 984307484 /nfs/dbraw/zinc/30/74/84/984307484.db2.gz FKAQBGVNEICKDW-UHFFFAOYSA-N -1 0 339.391 3.326 20 30 EGEDRM C=CCN(CCc1ccccc1)C(=O)NCc1ccc(C(=O)[O-])s1 ZINC001588828667 984308553 /nfs/dbraw/zinc/30/85/53/984308553.db2.gz HUVBSEAYDPKASE-UHFFFAOYSA-N -1 0 344.436 3.387 20 30 EGEDRM C=CCO[C@H]1CCN(C(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)C1 ZINC001588850049 984378651 /nfs/dbraw/zinc/37/86/51/984378651.db2.gz UYAIOVUXBWLGPR-HNNXBMFYSA-N -1 0 340.379 3.347 20 30 EGEDRM C=CCOc1cc(OC)ccc1C(=O)Oc1ccc(C(=O)[O-])cc1 ZINC001588869597 984439904 /nfs/dbraw/zinc/43/99/04/984439904.db2.gz ONGOSDIUHSRHKO-UHFFFAOYSA-N -1 0 328.320 3.177 20 30 EGEDRM C=CCOc1ccc(C(=O)OC2CCC(C(=O)[O-])CC2)cc1OC ZINC001588875013 984450637 /nfs/dbraw/zinc/45/06/37/984450637.db2.gz PQWQGNCUEZUBRN-UHFFFAOYSA-N -1 0 334.368 3.060 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1cnc(F)cc1C ZINC001588885343 984467132 /nfs/dbraw/zinc/46/71/32/984467132.db2.gz PJBTTWHOYMSWOJ-UHFFFAOYSA-N -1 0 345.326 3.184 20 30 EGEDRM C=CCc1cccc(C(C)C)c1NC(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001588886773 984473522 /nfs/dbraw/zinc/47/35/22/984473522.db2.gz QWNJSNFQTBCNBB-BBRMVZONSA-N -1 0 346.427 3.244 20 30 EGEDRM C=CCn1c(S[C@H](Cc2ccc(C)cc2)C(=O)[O-])nnc1C1CC1 ZINC001588905131 984535838 /nfs/dbraw/zinc/53/58/38/984535838.db2.gz QRGGEDAFEBMBET-OAHLLOKOSA-N -1 0 343.452 3.438 20 30 EGEDRM C=C[C@@H]1OCC[C@H]1C(=O)Nc1cc(C(=O)[O-])cc(Cl)c1Cl ZINC001588916661 984562339 /nfs/dbraw/zinc/56/23/39/984562339.db2.gz XWTLPDADIJVBSM-KCJUWKMLSA-N -1 0 330.167 3.221 20 30 EGEDRM Cc1[nH]c(C2=NNC(=Nc3ccccc3F)SC2)c(C)c1C(=O)[O-] ZINC001599959463 985754485 /nfs/dbraw/zinc/75/44/85/985754485.db2.gz CBCXLSPFRKNRAR-UHFFFAOYSA-N -1 0 346.387 3.197 20 30 EGEDRM C[C@H](C#N)OCCNc1cc(Br)cc(C(=O)[O-])c1Cl ZINC001589331649 986189812 /nfs/dbraw/zinc/18/98/12/986189812.db2.gz LCPMVBQTOXXZFH-SSDOTTSWSA-N -1 0 347.596 3.141 20 30 EGEDRM CCOc1ccc(C[C@H](CNc2c(C#N)cccc2C#N)C(=O)[O-])cc1 ZINC001597095947 986699832 /nfs/dbraw/zinc/69/98/32/986699832.db2.gz WCFVMGDFEDAZIE-QGZVFWFLSA-N -1 0 349.390 3.184 20 30 EGEDRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N(C)Cc2cc(C#N)cs2)cc1 ZINC001589504887 987116157 /nfs/dbraw/zinc/11/61/57/987116157.db2.gz OUICNHDCGPKMKV-LLVKDONJSA-N -1 0 343.408 3.472 20 30 EGEDRM CC[C@@H](C#N)Oc1cc(CNc2cc(C(=O)[O-])ccn2)ccc1OC ZINC001594724735 987222542 /nfs/dbraw/zinc/22/25/42/987222542.db2.gz CCRGLAWODGJZQC-AWEZNQCLSA-N -1 0 341.367 3.081 20 30 EGEDRM CC(C)(C#N)CC[S@](=O)Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001589554591 987301090 /nfs/dbraw/zinc/30/10/90/987301090.db2.gz GIBKCZDXEKVYAT-DEOSSOPVSA-N -1 0 346.408 3.228 20 30 EGEDRM CC(C)(C(=O)NCc1ccc(C(=O)[O-])s1)c1cc(F)cc(C#N)c1 ZINC001589571860 987342297 /nfs/dbraw/zinc/34/22/97/987342297.db2.gz CAWCHMDNWGNJGK-UHFFFAOYSA-N -1 0 346.383 3.051 20 30 EGEDRM CC(C)(C(=O)Nc1cc(C(=O)[O-])ccc1F)c1cc(F)cc(C#N)c1 ZINC001589579144 987357650 /nfs/dbraw/zinc/35/76/50/987357650.db2.gz DNEUWJSKBHJYTO-UHFFFAOYSA-N -1 0 344.317 3.451 20 30 EGEDRM CC(C)(C(=O)[O-])[C@@H](NC(=O)N[C@H]1CC[C@@H](CC#N)C1)c1ccccc1 ZINC001589598208 987418685 /nfs/dbraw/zinc/41/86/85/987418685.db2.gz HVOYFYFSVORDIZ-BPUTZDHNSA-N -1 0 343.427 3.220 20 30 EGEDRM CC(C)(C(=O)[O-])c1csc(NC(=O)[C@]2(C#N)CC3CCC2CC3)n1 ZINC001589649614 987592079 /nfs/dbraw/zinc/59/20/79/987592079.db2.gz WXAXVMVKULWZOX-IGCAFJPESA-N -1 0 347.440 3.164 20 30 EGEDRM CC(C)(C)C#CC(=O)N[C@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001589684451 987720945 /nfs/dbraw/zinc/72/09/45/987720945.db2.gz DLZGEGGXJFAOCS-INIZCTEOSA-N -1 0 342.222 3.459 20 30 EGEDRM CC(C)(C)O[C@@H]1C[C@H](Nc2ccc(C(=O)[O-])nc2C#N)C12CCC2 ZINC001590379713 989892916 /nfs/dbraw/zinc/89/29/16/989892916.db2.gz ZEMHIVPIIOHAKM-LSDHHAIUSA-N -1 0 329.400 3.190 20 30 EGEDRM COc1ccnc(C(=O)/C=C\c2cc(C)c(OCC(=O)[O-])c(C)c2)c1 ZINC001599721496 991547125 /nfs/dbraw/zinc/54/71/25/991547125.db2.gz UATPZJAAZMXGFV-PLNGDYQASA-N -1 0 341.363 3.067 20 30 EGEDRM CN(CC(C)(C)C#N)C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001598419246 991751781 /nfs/dbraw/zinc/75/17/81/991751781.db2.gz GYSAOHOTLJVTJS-UHFFFAOYSA-N -1 0 327.743 3.191 20 30 EGEDRM CC(C)C[C@H](NC(=O)N1CCC(C#N)(C(=O)[O-])CC1)c1cccs1 ZINC001591178695 991977589 /nfs/dbraw/zinc/97/75/89/991977589.db2.gz TXQCGPHKORKSBO-ZDUSSCGKSA-N -1 0 349.456 3.235 20 30 EGEDRM C[C@H](Oc1ccccc1/C=C\C(=O)c1cnn(C2CCC2)c1)C(=O)[O-] ZINC001593645264 995972960 /nfs/dbraw/zinc/97/29/60/995972960.db2.gz RJLLXBFCWIOYAJ-XPSMFNQNSA-N -1 0 340.379 3.356 20 30 EGEDRM C[C@@H](SCC(=O)NC1(C(=O)[O-])CCCCC1)c1cccc(C#N)c1 ZINC001593659979 996037244 /nfs/dbraw/zinc/03/72/44/996037244.db2.gz ZOVUNEQWKLSXBM-CYBMUJFWSA-N -1 0 346.452 3.256 20 30 EGEDRM C[C@H](Sc1ccccc1C(=O)N(O)Cc1ccc(F)cc1)C(=O)[O-] ZINC001593668145 996062028 /nfs/dbraw/zinc/06/20/28/996062028.db2.gz NBUUXRQRLOHDLK-NSHDSACASA-N -1 0 349.383 3.423 20 30 EGEDRM CC1(C)CCC/C(=C\c2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)C1=O ZINC001593884342 996720165 /nfs/dbraw/zinc/72/01/65/996720165.db2.gz BRFXOLOLZFCBCN-XYOKQWHBSA-N -1 0 333.340 3.221 20 30 EGEDRM COc1ccc(C(=O)[O-])c(NC(=O)c2cc(C#N)ccc2Cl)c1 ZINC001599489910 996919899 /nfs/dbraw/zinc/91/98/99/996919899.db2.gz RAAXWGQZKIVAJP-UHFFFAOYSA-N -1 0 330.727 3.171 20 30 EGEDRM COc1cc(/C=C/C(=O)[O-])ccc1Oc1cc(C#N)nc(C2CC2)n1 ZINC001599399329 997186520 /nfs/dbraw/zinc/18/65/20/997186520.db2.gz GJJIRLLNAJPHJN-XVNBXDOJSA-N -1 0 337.335 3.124 20 30 EGEDRM COc1cc(CN[C@@H](C(=O)[O-])c2c(F)cccc2Cl)ccc1C#N ZINC001599414766 997487026 /nfs/dbraw/zinc/48/70/26/997487026.db2.gz SFMJKMXYWPTWBC-MRXNPFEDSA-N -1 0 348.761 3.275 20 30 EGEDRM CON=Cc1ccc(C(=O)OCc2cc(C(=O)[O-])ccc2C)cc1 ZINC001599320849 997577659 /nfs/dbraw/zinc/57/76/59/997577659.db2.gz OSPSFEMUVKFTJU-UHFFFAOYSA-N -1 0 327.336 3.031 20 30 EGEDRM C[C@]1(NC(=O)c2cccc(SCC#N)c2)CCCC[C@H]1C(=O)[O-] ZINC001594055460 997785423 /nfs/dbraw/zinc/78/54/23/997785423.db2.gz CCQBNBGFGLCGBT-YOEHRIQHSA-N -1 0 332.425 3.066 20 30 EGEDRM COc1ccc(/C=C\C(=O)[O-])cc1OC(=O)c1ccc(C#N)cc1C ZINC001599547804 997954037 /nfs/dbraw/zinc/95/40/37/997954037.db2.gz YJNQRRQIZGWJMB-YVMONPNESA-N -1 0 337.331 3.192 20 30 EGEDRM COc1cc(OC)c(/C=C/C(=O)c2cc(C(=O)[O-])cs2)c(OC)c1 ZINC001599447289 998029520 /nfs/dbraw/zinc/02/95/20/998029520.db2.gz MNKNPSYRZBCGNN-SNAWJCMRSA-N -1 0 348.376 3.368 20 30 EGEDRM CC1=C(Br)CN(Cc2cccc(C(=O)[O-])c2C#N)CC1 ZINC001594089931 998033304 /nfs/dbraw/zinc/03/33/04/998033304.db2.gz AYANUOPJPFMGJJ-UHFFFAOYSA-N -1 0 335.201 3.131 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1CCNc1ccc2cc(C#N)ccc2n1 ZINC001599367291 998354726 /nfs/dbraw/zinc/35/47/26/998354726.db2.gz JCAQVSKHTCWIKM-UHFFFAOYSA-N -1 0 347.374 3.468 20 30 EGEDRM COc1ccc(CNc2nc3ccccc3cc2C#N)cc1C(=O)[O-] ZINC001599575536 998437551 /nfs/dbraw/zinc/43/75/51/998437551.db2.gz ZWUFTXURDSTCOZ-UHFFFAOYSA-N -1 0 333.347 3.425 20 30 EGEDRM CO[C@H](CNc1ccc(C(=O)[O-])nc1C#N)c1cccc(Cl)c1 ZINC001599056369 999232976 /nfs/dbraw/zinc/23/29/76/999232976.db2.gz VFUMHUUYWCZIPY-OAHLLOKOSA-N -1 0 331.759 3.104 20 30 EGEDRM C=CCOc1ccc(C(=O)NC(CC)(CC)CC(=O)[O-])cc1OC ZINC000262026445 201201967 /nfs/dbraw/zinc/20/19/67/201201967.db2.gz AILXDMJJMXWJHG-UHFFFAOYSA-N -1 0 335.400 3.023 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2cccc(Cl)c2Cl)C(=O)O1 ZINC000003543695 201575737 /nfs/dbraw/zinc/57/57/37/201575737.db2.gz HBMSTBYEEFSHPA-GFUIURDCSA-N -1 0 325.147 3.222 20 30 EGEDRM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])c1ccc2c(c1)OCO2 ZINC000103503226 204081978 /nfs/dbraw/zinc/08/19/78/204081978.db2.gz GGUAWMNHNGSZFG-AWEZNQCLSA-N -1 0 346.342 3.410 20 30 EGEDRM CCc1cnc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)s1 ZINC000186595297 144138372 /nfs/dbraw/zinc/13/83/72/144138372.db2.gz OCAOGVMTDJVDCZ-UHFFFAOYSA-N -1 0 327.818 3.031 20 30 EGEDRM CC(C)c1noc(=NC2CCC(Oc3ccccc3C#N)CC2)[n-]1 ZINC000346870851 156173028 /nfs/dbraw/zinc/17/30/28/156173028.db2.gz HOJLWTOMBSBAKN-UHFFFAOYSA-N -1 0 326.400 3.289 20 30 EGEDRM Cc1coc(-c2cccc([N-]S(=O)(=O)c3ccccc3C#N)c2)n1 ZINC000126756879 162311713 /nfs/dbraw/zinc/31/17/13/162311713.db2.gz KBMRLBSCSJELNA-UHFFFAOYSA-N -1 0 339.376 3.323 20 30 EGEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1ncccc1Oc1ccccc1 ZINC000359716882 167212706 /nfs/dbraw/zinc/21/27/06/167212706.db2.gz MJRIKARFWVECIW-UHFFFAOYSA-N -1 0 345.362 3.020 20 30 EGEDRM N#Cc1ccc(C(=O)[O-])nc1/C=C/c1cnn(Cc2ccccc2)c1 ZINC000360219464 167274583 /nfs/dbraw/zinc/27/45/83/167274583.db2.gz CWSOMUYMEUPEPS-SOFGYWHQSA-N -1 0 330.347 3.067 20 30 EGEDRM Cc1ccc(-c2[n-][nH]c(=NC(=O)[C@@H](C)c3cccc(C#N)c3)c2C)o1 ZINC000360384212 167316464 /nfs/dbraw/zinc/31/64/64/167316464.db2.gz YVAZTCOZTUIZSN-LBPRGKRZSA-N -1 0 334.379 3.322 20 30 EGEDRM N#Cc1cccc(C=CC(=O)[N-]S(=O)(=O)Cc2ccc(F)cc2)c1 ZINC000048568887 270037548 /nfs/dbraw/zinc/03/75/48/270037548.db2.gz XHPVFKDEOPGGJP-RMKNXTFCSA-N -1 0 344.367 3.197 20 30 EGEDRM CCCCn1ncc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1C(C)C ZINC000480197885 270055831 /nfs/dbraw/zinc/05/58/31/270055831.db2.gz HAEBVSAENAEBAV-UHFFFAOYSA-N -1 0 346.456 3.479 20 30 EGEDRM CC[C@H](C)n1ncc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1C1CC1 ZINC000534235966 270061427 /nfs/dbraw/zinc/06/14/27/270061427.db2.gz RUEGDPBOEQTBMZ-LBPRGKRZSA-N -1 0 344.440 3.404 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2ccc(-n3cccn3)c(Cl)c2)cc1[O-] ZINC000188073832 268046803 /nfs/dbraw/zinc/04/68/03/268046803.db2.gz XBKWNZWEXJSEBC-UHFFFAOYSA-N -1 0 338.754 3.355 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)c2cc(F)ccc2F)cc1Cl ZINC000193864713 268161803 /nfs/dbraw/zinc/16/18/03/268161803.db2.gz KZOLFJJHJMIUON-UHFFFAOYSA-N -1 0 328.727 3.291 20 30 EGEDRM N#Cc1cc(S(=O)(=O)[N-]c2ccsc2)ccc1C(F)(F)F ZINC000443408664 268192184 /nfs/dbraw/zinc/19/21/84/268192184.db2.gz IGRUTHFLEVVVJM-UHFFFAOYSA-N -1 0 332.328 3.439 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2cnn(-c3ccc(Cl)cc3)c2)cc1[O-] ZINC000443119058 268205557 /nfs/dbraw/zinc/20/55/57/268205557.db2.gz RBHFFPDGXFADHR-UHFFFAOYSA-N -1 0 338.754 3.355 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nc(C3CCC3)cs2)cc1F ZINC000291901316 268207363 /nfs/dbraw/zinc/20/73/63/268207363.db2.gz QNEAGPMMFOYVKN-UHFFFAOYSA-N -1 0 337.401 3.222 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2ccccc2C#N)ccc1OC(C)C ZINC000074935424 307397226 /nfs/dbraw/zinc/39/72/26/307397226.db2.gz BUFIZMPSJTWWDV-UHFFFAOYSA-N -1 0 330.409 3.455 20 30 EGEDRM COc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000132723555 307661956 /nfs/dbraw/zinc/66/19/56/307661956.db2.gz JTTKXKFORIGRDW-UHFFFAOYSA-N -1 0 340.763 3.160 20 30 EGEDRM CC[C@@]1(C)Oc2ccc([N-]S(=O)(=O)c3ccccc3C#N)cc2O1 ZINC000135570991 307704749 /nfs/dbraw/zinc/70/47/49/307704749.db2.gz FRYRXJZQDHTRCO-KRWDZBQOSA-N -1 0 344.392 3.256 20 30 EGEDRM N#Cc1cc(Br)ccc1[N-]S(=O)(=O)c1cccs1 ZINC000132550654 454346677 /nfs/dbraw/zinc/34/66/77/454346677.db2.gz AMNHVVVQYMDDIV-UHFFFAOYSA-N -1 0 343.227 3.183 20 30 EGEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)c1cc(Cl)ccc1C ZINC000546707423 314849860 /nfs/dbraw/zinc/84/98/60/314849860.db2.gz MRLZNCFGPHLKKJ-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM CCc1cc(C#N)c([N-]S(=O)(=O)c2cc(C#N)ccc2C)s1 ZINC000564623939 316176319 /nfs/dbraw/zinc/17/63/19/316176319.db2.gz CQRVMVAWTVVCCA-UHFFFAOYSA-N -1 0 331.422 3.163 20 30 EGEDRM C=CCCS(=O)(=O)[N-][C@H](c1c(F)cccc1F)C(F)(F)F ZINC000180757518 455239732 /nfs/dbraw/zinc/23/97/32/455239732.db2.gz NJRBAVLGHVYJOD-LLVKDONJSA-N -1 0 329.290 3.064 20 30 EGEDRM CSC[C@@H](C)NS(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC000594754449 459152101 /nfs/dbraw/zinc/15/21/01/459152101.db2.gz RDRGHCNWWYRHQY-SECBINFHSA-N -1 0 340.495 3.111 20 30 EGEDRM C=CCN(C)C(=O)C[C@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000634914467 460602028 /nfs/dbraw/zinc/60/20/28/460602028.db2.gz VRQGAUOQDJMTJL-HNNXBMFYSA-N -1 0 330.211 3.370 20 30 EGEDRM Cc1cc(F)cc2c1ncc(C#N)c2N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000600802177 460609904 /nfs/dbraw/zinc/60/99/04/460609904.db2.gz STDJGBUDPNOZAQ-SMDDNHRTSA-N -1 0 327.359 3.101 20 30 EGEDRM N#Cc1nc(NC(=O)Cc2coc3ccc4ccccc4c23)[n-]c1C#N ZINC000026275398 453795737 /nfs/dbraw/zinc/79/57/37/453795737.db2.gz AWHZJSPWLVXMOH-UHFFFAOYSA-N -1 0 341.330 3.234 20 30 EGEDRM N#CCc1ccc(NC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])cc1 ZINC000081935808 453918417 /nfs/dbraw/zinc/91/84/17/453918417.db2.gz HAHDDZMIEUMBNN-UHFFFAOYSA-N -1 0 336.326 3.035 20 30 EGEDRM O=C(C=Cc1ccc([N+](=O)[O-])cc1)[N-]S(=O)(=O)c1cccs1 ZINC000042243722 454002465 /nfs/dbraw/zinc/00/24/65/454002465.db2.gz PLBISXUEUQDWSU-YVMONPNESA-N -1 0 338.366 3.015 20 30 EGEDRM N#Cc1cc([N-]S(=O)(=O)c2ccc(F)cc2Cl)ccc1F ZINC000076839243 454042426 /nfs/dbraw/zinc/04/24/26/454042426.db2.gz RBDFOUKMIUQLDY-UHFFFAOYSA-N -1 0 328.727 3.291 20 30 EGEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C)cc1C ZINC000057125716 454104157 /nfs/dbraw/zinc/10/41/57/454104157.db2.gz HHJZOBARLFAZRG-UHFFFAOYSA-N -1 0 330.409 3.375 20 30 EGEDRM N#CC(=C([O-])c1cnc([C@H]2CCCO2)s1)c1nc2ccccc2[nH]1 ZINC000089964413 454248614 /nfs/dbraw/zinc/24/86/14/454248614.db2.gz XIUBHVLJPHBBGN-GXFFZTMASA-N -1 0 338.392 3.361 20 30 EGEDRM CCc1sc(C([O-])=C(C#N)c2nnc3n2CCCCC3)cc1C ZINC000060851519 454317327 /nfs/dbraw/zinc/31/73/27/454317327.db2.gz UULOUOHTNZRVEE-GFCCVEGCSA-N -1 0 328.441 3.427 20 30 EGEDRM N#Cc1cccc(S(=O)(=O)[N-]c2cc(CC3CCCCC3)[nH]n2)c1 ZINC000079106543 454369503 /nfs/dbraw/zinc/36/95/03/454369503.db2.gz NEOHESTXVBCRJB-UHFFFAOYSA-N -1 0 344.440 3.205 20 30 EGEDRM COC(=O)N1CCC(/N=C\c2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000122265019 454517348 /nfs/dbraw/zinc/51/73/48/454517348.db2.gz DYFQMWHCQDHSAA-IUXPMGMMSA-N -1 0 331.199 3.349 20 30 EGEDRM CC(C)(C)CN(CCC#N)C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000122619330 454553643 /nfs/dbraw/zinc/55/36/43/454553643.db2.gz SXBIQSJWAISANQ-UHFFFAOYSA-N -1 0 344.390 3.119 20 30 EGEDRM CC(C)c1csc(C(C#N)=C([O-])c2cccc(-n3cccn3)n2)n1 ZINC000080450717 454583357 /nfs/dbraw/zinc/58/33/57/454583357.db2.gz QUTHPQWFAMSTDS-GFCCVEGCSA-N -1 0 337.408 3.337 20 30 EGEDRM CC(=O)NCc1ccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)cc1 ZINC000080449624 454583622 /nfs/dbraw/zinc/58/36/22/454583622.db2.gz KAKICBDIKISNFO-OAHLLOKOSA-N -1 0 341.436 3.393 20 30 EGEDRM Cc1ccc(C([O-])=C(C#N)c2nc3ccccc3n2C)cc1[N+](=O)[O-] ZINC000123444480 454637720 /nfs/dbraw/zinc/63/77/20/454637720.db2.gz BGYITDCBJPMIJY-CYBMUJFWSA-N -1 0 334.335 3.280 20 30 EGEDRM Cc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CCC3)c1C#N ZINC000137611267 454783400 /nfs/dbraw/zinc/78/34/00/454783400.db2.gz HENYXOUBGMFXCA-UHFFFAOYSA-N -1 0 340.404 3.187 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2nnn(-c3ccc(C)cc3)c2C)n1 ZINC000125058222 454794025 /nfs/dbraw/zinc/79/40/25/454794025.db2.gz VYOGXGQLOOOITL-CQSZACIVSA-N -1 0 337.408 3.139 20 30 EGEDRM CCCCC[C@@H](C)NC(=O)Cn1[n-]c(C(C)(C)C)c(CCC#N)c1=O ZINC000153455254 454795595 /nfs/dbraw/zinc/79/55/95/454795595.db2.gz BOOUSUNDBNPGPF-CQSZACIVSA-N -1 0 348.491 3.427 20 30 EGEDRM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000177991069 454924749 /nfs/dbraw/zinc/92/47/49/454924749.db2.gz ZUYQTFDCDVKHKZ-UHFFFAOYSA-N -1 0 331.784 3.193 20 30 EGEDRM Cc1ncc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)c(C)n1 ZINC000179965918 455108511 /nfs/dbraw/zinc/10/85/11/455108511.db2.gz ULLJCWPFSKFLLG-CYBMUJFWSA-N -1 0 335.392 3.102 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)cc1Cl ZINC000180179133 455144808 /nfs/dbraw/zinc/14/48/08/455144808.db2.gz VFVWDDYCVMFOIB-UHFFFAOYSA-N -1 0 346.717 3.430 20 30 EGEDRM C=CCOc1ccc(C(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1 ZINC000237625141 455199513 /nfs/dbraw/zinc/19/95/13/455199513.db2.gz KWCSEEIFMVLBMD-KSSFIOAISA-N -1 0 339.391 3.443 20 30 EGEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(OC(C)C)cc1 ZINC000184809380 455451440 /nfs/dbraw/zinc/45/14/40/455451440.db2.gz GHEBFZMMYRHWHY-UHFFFAOYSA-N -1 0 346.408 3.155 20 30 EGEDRM CC(=O)c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C#N)cc1 ZINC000192730656 455680423 /nfs/dbraw/zinc/68/04/23/455680423.db2.gz GRQRLVBVDWRVHI-UHFFFAOYSA-N -1 0 334.784 3.215 20 30 EGEDRM C=CCOc1ccccc1CNC(=O)c1cc(F)c(F)c([O-])c1F ZINC000186289136 455734737 /nfs/dbraw/zinc/73/47/37/455734737.db2.gz XVRQIHPPQURTNU-UHFFFAOYSA-N -1 0 337.297 3.304 20 30 EGEDRM Cc1ccc(-c2cc(C([O-])=C(C#N)c3nc4ccccc4n3C)n[nH]2)o1 ZINC000194086250 455799905 /nfs/dbraw/zinc/79/99/05/455799905.db2.gz KNPWFRLQDYAMTR-LBPRGKRZSA-N -1 0 345.362 3.355 20 30 EGEDRM N#CCc1ccccc1S(=O)(=O)Nc1ccc([C@@H]2CCOC2)cc1 ZINC000295252009 455844252 /nfs/dbraw/zinc/84/42/52/455844252.db2.gz WUXYTUQUTOGKTJ-MRXNPFEDSA-N -1 0 342.420 3.057 20 30 EGEDRM CCCCCCCCCNC(=O)Cc1c(C)nc2cc[n-]n2c1=O ZINC000253540442 455851256 /nfs/dbraw/zinc/85/12/56/455851256.db2.gz ACCQKOJOOCULFD-UHFFFAOYSA-N -1 0 332.448 3.153 20 30 EGEDRM COc1ccc(NC(=O)C(C#N)=C([O-])c2cnc(C)s2)cc1Cl ZINC000194680534 455872975 /nfs/dbraw/zinc/87/29/75/455872975.db2.gz QVRNCGIVDLLRLQ-SNVBAGLBSA-N -1 0 349.799 3.075 20 30 EGEDRM C=CCC[C@@H](NC(=O)CCc1ccccc1OC(F)(F)F)C(=O)[O-] ZINC000263011638 456077261 /nfs/dbraw/zinc/07/72/61/456077261.db2.gz XHSSFIGLQKGUGK-GFCCVEGCSA-N -1 0 345.317 3.053 20 30 EGEDRM C=C(C)[C@H](NC(=O)N1CCC[C@H](C(=O)[O-])C1)c1ccc(F)c(F)c1 ZINC000263376020 456137130 /nfs/dbraw/zinc/13/71/30/456137130.db2.gz OETAEBVBNYIEDS-WFASDCNBSA-N -1 0 338.354 3.088 20 30 EGEDRM C[C@H](CN(C)C(=O)Nc1ccccc1S[C@@H](C)CC#N)C(=O)[O-] ZINC000263471496 456153997 /nfs/dbraw/zinc/15/39/97/456153997.db2.gz HYTDFYNPMGLLRQ-NEPJUHHUSA-N -1 0 335.429 3.265 20 30 EGEDRM Cc1c(C#N)c(N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)nc2ccccc12 ZINC000263540846 456163251 /nfs/dbraw/zinc/16/32/51/456163251.db2.gz CQMOEBDLQYWAEG-CHWSQXEVSA-N -1 0 349.312 3.114 20 30 EGEDRM Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000289894725 456172091 /nfs/dbraw/zinc/17/20/91/456172091.db2.gz SNRVGRZJWJQUSV-FQEVSTJZSA-N -1 0 349.434 3.476 20 30 EGEDRM Cn1cc(/C=C/C(=O)c2ccc(CC(=O)[O-])cc2)c(C(C)(C)C)n1 ZINC000271235247 456184804 /nfs/dbraw/zinc/18/48/04/456184804.db2.gz WKXVCNVQGUQNFZ-MDZDMXLPSA-N -1 0 326.396 3.241 20 30 EGEDRM Cc1cc([N-]S(=O)(=O)c2cccc(C#N)c2)nn1C1CCCCC1 ZINC000290507474 456348015 /nfs/dbraw/zinc/34/80/15/456348015.db2.gz LIDULYJIPCLNLZ-UHFFFAOYSA-N -1 0 344.440 3.369 20 30 EGEDRM O=C1[C@@H](/N=C/c2cc([N+](=O)[O-])ccc2[O-])CCCN1C1CCCCC1 ZINC000276191098 456409003 /nfs/dbraw/zinc/40/90/03/456409003.db2.gz UMAMJDRARUDOFE-QUYZQLMHSA-N -1 0 345.399 3.043 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)NC[C@H](C)c2ccc(F)cc2)cc1C#N ZINC000353029809 456449138 /nfs/dbraw/zinc/44/91/38/456449138.db2.gz RDQIRZAKMMHBFY-JTQLQIEISA-N -1 0 345.399 3.053 20 30 EGEDRM COCc1ncc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)s1 ZINC000353425506 456691137 /nfs/dbraw/zinc/69/11/37/456691137.db2.gz XLMBZLKTDIFPJA-SECBINFHSA-N -1 0 341.314 3.193 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(C4CC4)sc3c2)o1 ZINC000340840417 456711353 /nfs/dbraw/zinc/71/13/53/456711353.db2.gz DQNCLOGMTWGTEV-UHFFFAOYSA-N -1 0 345.405 3.439 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccnc2-c2ccccc2)o1 ZINC000340948363 456777995 /nfs/dbraw/zinc/77/79/95/456777995.db2.gz HXHAFEQVFVOXCD-UHFFFAOYSA-N -1 0 325.349 3.014 20 30 EGEDRM N#CC(=C([O-])c1cc(F)cc([N+](=O)[O-])c1)c1nc2ccccc2o1 ZINC000344550782 456836549 /nfs/dbraw/zinc/83/65/49/456836549.db2.gz LBKPPUSICVYKMN-LBPRGKRZSA-N -1 0 325.255 3.365 20 30 EGEDRM O=C(N[C@@H]1CCCC[C@H]1c1ccccc1)c1cccn2c([O-])nnc12 ZINC000329496412 456900497 /nfs/dbraw/zinc/90/04/97/456900497.db2.gz JAARGQONCUVJEV-GOEBONIOSA-N -1 0 336.395 3.466 20 30 EGEDRM CCSc1ccc(C(=O)N=c2[n-]n(C(C)(C)C)cc2C#N)cc1 ZINC000349188373 456907556 /nfs/dbraw/zinc/90/75/56/456907556.db2.gz FEXQXCBEECVLPI-UHFFFAOYSA-N -1 0 328.441 3.296 20 30 EGEDRM COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C#N)c(C)c1C ZINC000353795151 456909752 /nfs/dbraw/zinc/90/97/52/456909752.db2.gz PCGLTTWJNTUIRL-UHFFFAOYSA-N -1 0 334.372 3.124 20 30 EGEDRM N#CCc1ccc(Oc2ccc(C(=O)N=c3cccn[n-]3)cc2)cc1 ZINC000346045826 457014694 /nfs/dbraw/zinc/01/46/94/457014694.db2.gz YNAZNTINJWNJFR-UHFFFAOYSA-N -1 0 330.347 3.009 20 30 EGEDRM N#CC(=C([O-])c1ccc2nccnc2n1)c1nccc2ccccc21 ZINC000346245312 457025352 /nfs/dbraw/zinc/02/53/52/457025352.db2.gz SDQGXEOOCGRZBX-CQSZACIVSA-N -1 0 325.331 3.063 20 30 EGEDRM CC(C)(C#N)c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000356570535 457060985 /nfs/dbraw/zinc/06/09/85/457060985.db2.gz XYXMJBJVGUEFOL-UHFFFAOYSA-N -1 0 325.324 3.354 20 30 EGEDRM C=CCc1cc(CN=c2nc(CCC)[n-]s2)cc(OC)c1OC ZINC000359911787 457144560 /nfs/dbraw/zinc/14/45/60/457144560.db2.gz MLUMBJDNRKNUPP-UHFFFAOYSA-N -1 0 333.457 3.270 20 30 EGEDRM C=CCn1c(-c2cccc3cccnc32)n[n-]c1=Nc1c(C)n[nH]c1C ZINC000350729010 457199092 /nfs/dbraw/zinc/19/90/92/457199092.db2.gz HVOQFHSUQQUXFR-UHFFFAOYSA-N -1 0 345.410 3.185 20 30 EGEDRM CC(=O)N(c1ccc(NC(=O)c2ccc(C#N)c([O-])c2)cc1)C1CC1 ZINC000360011924 457203307 /nfs/dbraw/zinc/20/33/07/457203307.db2.gz YYNZVGCEDHMBCL-UHFFFAOYSA-N -1 0 335.363 3.031 20 30 EGEDRM COc1ccc(-c2ncc(C([O-])=C(C#N)c3ccncn3)s2)cc1 ZINC000354470442 457244673 /nfs/dbraw/zinc/24/46/73/457244673.db2.gz NTVILDWBRJUDFE-ZDUSSCGKSA-N -1 0 336.376 3.099 20 30 EGEDRM C=CCCC[C@@H](C)NC(=O)c1nn(-c2ccc(OC)cc2)cc1[O-] ZINC000354509612 457264125 /nfs/dbraw/zinc/26/41/25/457264125.db2.gz NBYOHGTWJNGZTJ-CYBMUJFWSA-N -1 0 329.400 3.061 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C(F)(F)F)o1 ZINC000342464333 457317229 /nfs/dbraw/zinc/31/72/29/457317229.db2.gz IOGUUUKJOUAGFL-UHFFFAOYSA-N -1 0 334.250 3.110 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nc3cc(Cl)ccc3s2)o1 ZINC000342476340 457324930 /nfs/dbraw/zinc/32/49/30/457324930.db2.gz HLQLERJWXIRBJJ-UHFFFAOYSA-N -1 0 339.785 3.215 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cn2)o1 ZINC000342489128 457332518 /nfs/dbraw/zinc/33/25/18/457332518.db2.gz JGGBRECRVZHFAP-UHFFFAOYSA-N -1 0 341.348 3.139 20 30 EGEDRM Cn1cnc(C([O-])=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)n1 ZINC000355098198 457341913 /nfs/dbraw/zinc/34/19/13/457341913.db2.gz LFJSCFIFBGEUOA-LLVKDONJSA-N -1 0 343.799 3.082 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(CC)nc2C)n1 ZINC000355234657 457350156 /nfs/dbraw/zinc/35/01/56/457350156.db2.gz UKLQZXDYKBLURN-ZDUSSCGKSA-N -1 0 343.408 3.076 20 30 EGEDRM CSCc1cccnc1C([O-])=C(C#N)c1cnc2ccccc2n1 ZINC000355404859 457369759 /nfs/dbraw/zinc/36/97/59/457369759.db2.gz SUNMURVACSCKEQ-CYBMUJFWSA-N -1 0 334.404 3.378 20 30 EGEDRM C=CCC(C)(C)CNC(=O)c1cc(Cl)ccc1[N-]S(C)(=O)=O ZINC000352471302 457392224 /nfs/dbraw/zinc/39/22/24/457392224.db2.gz RAEDGBODIQEZCY-UHFFFAOYSA-N -1 0 344.864 3.044 20 30 EGEDRM C=CCC1(C(=O)N2C[C@@H](c3ccc(F)cc3F)[C@H](C(=O)[O-])C2)CCC1 ZINC000425251953 457473248 /nfs/dbraw/zinc/47/32/48/457473248.db2.gz IAUHBISCHDQCOI-LSDHHAIUSA-N -1 0 349.377 3.338 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc3ncccc23)cc1F ZINC000427767454 458032110 /nfs/dbraw/zinc/03/21/10/458032110.db2.gz ZGZNLBFNOTVKGH-UHFFFAOYSA-N -1 0 327.340 3.046 20 30 EGEDRM COCc1nc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)cs1 ZINC000362135722 458032923 /nfs/dbraw/zinc/03/29/23/458032923.db2.gz TVOCJIDPEJYPBG-SECBINFHSA-N -1 0 341.314 3.193 20 30 EGEDRM C=C[C@H]1CCCCN1C(=O)c1nn(-c2ccc(F)cc2C)cc1[O-] ZINC000428042377 458071054 /nfs/dbraw/zinc/07/10/54/458071054.db2.gz CEZVKGGNMBSYLQ-AWEZNQCLSA-N -1 0 329.375 3.206 20 30 EGEDRM N#Cc1cc(F)c(S(=O)(=O)[N-][C@H]2C[C@H](c3ccccc3)C2)c(F)c1 ZINC000435591948 458167892 /nfs/dbraw/zinc/16/78/92/458167892.db2.gz FMUSUAYSUIJRIV-HDJSIYSDSA-N -1 0 348.374 3.061 20 30 EGEDRM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1cccc(C)c1C#N ZINC000446757344 458225341 /nfs/dbraw/zinc/22/53/41/458225341.db2.gz ARFKTQGWOULQBV-UHFFFAOYSA-N -1 0 330.409 3.293 20 30 EGEDRM CCCOc1cccnc1C([O-])=C(C#N)c1cnc2ccccc2n1 ZINC000429206892 458291621 /nfs/dbraw/zinc/29/16/21/458291621.db2.gz VZTYIHSQOCAEJT-ZDUSSCGKSA-N -1 0 332.363 3.304 20 30 EGEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccccc1COCc1ccccc1 ZINC000416934048 458356802 /nfs/dbraw/zinc/35/68/02/458356802.db2.gz CMNICXFCIPZPET-KRWDZBQOSA-N -1 0 344.436 3.447 20 30 EGEDRM CC(C)Oc1ccc(NC(=O)NCCCCCC(=O)[O-])cc1C#N ZINC000417765977 458367365 /nfs/dbraw/zinc/36/73/65/458367365.db2.gz QXCMZRDLURQXPT-UHFFFAOYSA-N -1 0 333.388 3.112 20 30 EGEDRM N#C[C@@H]1CC[C@H](Sc2n[n-]c(=NCCc3cccs3)s2)C1 ZINC000450765649 458456125 /nfs/dbraw/zinc/45/61/25/458456125.db2.gz XNTYJZBEXXGQQQ-PWSUYJOCSA-N -1 0 336.511 3.460 20 30 EGEDRM CN(CC(C)(C)C#N)C(=O)c1cc(Cl)cc(Br)c1[O-] ZINC000452138129 458495450 /nfs/dbraw/zinc/49/54/50/458495450.db2.gz BTFBLXGHZWACGG-UHFFFAOYSA-N -1 0 345.624 3.430 20 30 EGEDRM C=CCC1(CNC(=O)N=c2[n-]nc(CC(F)(F)F)s2)CCCC1 ZINC000454987366 458581117 /nfs/dbraw/zinc/58/11/17/458581117.db2.gz UHBHPNDKPHLTLV-UHFFFAOYSA-N -1 0 348.394 3.323 20 30 EGEDRM CC(C)(C)OC(=O)NCCCN=Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000493874937 458593687 /nfs/dbraw/zinc/59/36/87/458593687.db2.gz VRWSQTXSCSILBX-UHFFFAOYSA-N -1 0 341.795 3.351 20 30 EGEDRM Cc1[n-][nH]c(=NC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)c1C#N ZINC000431662176 458602918 /nfs/dbraw/zinc/60/29/18/458602918.db2.gz PJXDDKKVNUACLF-CQSZACIVSA-N -1 0 346.390 3.085 20 30 EGEDRM Cc1[n-][nH]c(=NC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)c1C#N ZINC000431662174 458603209 /nfs/dbraw/zinc/60/32/09/458603209.db2.gz PJXDDKKVNUACLF-AWEZNQCLSA-N -1 0 346.390 3.085 20 30 EGEDRM C=CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000505801253 458747094 /nfs/dbraw/zinc/74/70/94/458747094.db2.gz HGGGNEJORFRATR-UHFFFAOYSA-N -1 0 331.393 3.075 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)NCc2ccc([C@@H]3C[C@H]3C)o2)cc1C#N ZINC000515965802 458814354 /nfs/dbraw/zinc/81/43/54/458814354.db2.gz QVHSOZSKVDYKAE-BXKDBHETSA-N -1 0 343.408 3.027 20 30 EGEDRM COc1ccc(O)c(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)c1 ZINC000530748387 458821350 /nfs/dbraw/zinc/82/13/50/458821350.db2.gz WOIDDPXKWMCRAN-UHFFFAOYSA-N -1 0 349.308 3.201 20 30 EGEDRM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cc(CC#N)ccn2)cc1 ZINC000531653014 458953304 /nfs/dbraw/zinc/95/33/04/458953304.db2.gz PWVAAAULZHOXJU-ZDUSSCGKSA-N -1 0 329.425 3.462 20 30 EGEDRM C=CCC[C@H](NC(=O)N[C@H](C)c1cccc(OC(C)C)c1)C(=O)[O-] ZINC000520352551 459051467 /nfs/dbraw/zinc/05/14/67/459051467.db2.gz JBAIRQPLFKHCIW-CJNGLKHVSA-N -1 0 334.416 3.253 20 30 EGEDRM CC(C)(CCC#N)CNC(=O)N=c1[n-]nc(/C=C/c2ccco2)s1 ZINC000479105567 459123179 /nfs/dbraw/zinc/12/31/79/459123179.db2.gz MKJDJNFPJDGMTD-VOTSOKGWSA-N -1 0 345.428 3.175 20 30 EGEDRM CC[C@H](C)Oc1cccc(S(=O)(=O)[N-]c2cc(CC#N)ccn2)c1 ZINC000594722085 459139885 /nfs/dbraw/zinc/13/98/85/459139885.db2.gz YAHVSHHGXTXVFS-ZDUSSCGKSA-N -1 0 345.424 3.126 20 30 EGEDRM C=CCOc1cccc(NC(=O)N[C@H](C(=O)[O-])C2CCCCC2)c1 ZINC000578461983 459205676 /nfs/dbraw/zinc/20/56/76/459205676.db2.gz MJFJGDDWIPEHOG-INIZCTEOSA-N -1 0 332.400 3.406 20 30 EGEDRM COc1ccc(C)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1C#N ZINC000560367433 459332377 /nfs/dbraw/zinc/33/23/77/459332377.db2.gz JULAVSQXKISPQW-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)C[C@H](C(=O)[O-])c1ccccc1 ZINC000591325082 459355549 /nfs/dbraw/zinc/35/55/49/459355549.db2.gz UOEWVTOXNJAGAC-OALUTQOASA-N -1 0 348.402 3.310 20 30 EGEDRM C=CC[C@H](CC)NC(=O)N[C@H](C(=O)[O-])c1ccc(OC(F)F)cc1 ZINC000560487200 459357104 /nfs/dbraw/zinc/35/71/04/459357104.db2.gz UPQXNDRJALCFRD-AAEUAGOBSA-N -1 0 342.342 3.068 20 30 EGEDRM C[C@H]1CCC[C@](C#N)(NC(=O)c2cccc(Br)c2[O-])C1 ZINC000536689416 459360904 /nfs/dbraw/zinc/36/09/04/459360904.db2.gz PTBBKKYYHAJALU-BONVTDFDSA-N -1 0 337.217 3.357 20 30 EGEDRM N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)CC1(CC(=O)[O-])CCC1 ZINC000591530943 459396476 /nfs/dbraw/zinc/39/64/76/459396476.db2.gz INORBPUZXSLSMQ-INIZCTEOSA-N -1 0 326.396 3.087 20 30 EGEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccccc1OC(C)C ZINC000525366988 459451351 /nfs/dbraw/zinc/45/13/51/459451351.db2.gz DBUXLFPKISEKBT-UHFFFAOYSA-N -1 0 330.409 3.455 20 30 EGEDRM CCOc1ccc(C#N)cc1NC(=O)NC[C@H](CC(=O)[O-])CC(C)C ZINC000596058947 459505077 /nfs/dbraw/zinc/50/50/77/459505077.db2.gz QSVMFKOTJZRCMD-AWEZNQCLSA-N -1 0 347.415 3.215 20 30 EGEDRM C=CCn1c(-c2cccc(Cl)c2)n[n-]c1=Nc1c(C)nn(C)c1C ZINC000569769842 459505356 /nfs/dbraw/zinc/50/53/56/459505356.db2.gz MQELKGVIPFFQED-UHFFFAOYSA-N -1 0 342.834 3.300 20 30 EGEDRM C=CCC[C@H](NC(=O)N[C@H](C)c1ccc(OC(C)C)cc1)C(=O)[O-] ZINC000572362727 459579243 /nfs/dbraw/zinc/57/92/43/459579243.db2.gz FPBHLRRVXBKRLG-CJNGLKHVSA-N -1 0 334.416 3.253 20 30 EGEDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cccc(C)c2C#N)c1 ZINC000542713202 459584980 /nfs/dbraw/zinc/58/49/80/459584980.db2.gz PJJSMRMVUMMECH-UHFFFAOYSA-N -1 0 345.380 3.193 20 30 EGEDRM CC(=Cc1ccc2c(c1)OCCCCO2)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000583854027 459607243 /nfs/dbraw/zinc/60/72/43/459607243.db2.gz QHDGGFNXPHMZGM-FMIVXFBMSA-N -1 0 337.379 3.062 20 30 EGEDRM N#Cc1ccc(C=CC(=O)N=c2nc(-c3ccsc3)[n-]s2)cc1 ZINC000491576035 459638769 /nfs/dbraw/zinc/63/87/69/459638769.db2.gz LPECSFLEWVAALK-AATRIKPKSA-N -1 0 338.417 3.212 20 30 EGEDRM C=CCC[C@H](NC(=O)N[C@H](CC)c1ccc(F)cc1F)C(=O)[O-] ZINC000562974507 459684988 /nfs/dbraw/zinc/68/49/88/459684988.db2.gz LQAZWCHDDFYHGP-KGLIPLIRSA-N -1 0 326.343 3.135 20 30 EGEDRM C=CCn1c(Cc2cccc3ccccc32)n[n-]c1=Nc1cnn(C)c1 ZINC000564380392 459773094 /nfs/dbraw/zinc/77/30/94/459773094.db2.gz XKLIYEZZGUNTGU-UHFFFAOYSA-N -1 0 344.422 3.107 20 30 EGEDRM N#CCCC[C@H](NC(=O)N1CCC[C@H](CC(=O)[O-])C1)c1ccccc1 ZINC000564713494 459775730 /nfs/dbraw/zinc/77/57/30/459775730.db2.gz QTFMEAPFRJMURU-WBVHZDCISA-N -1 0 343.427 3.318 20 30 EGEDRM Cc1csc([C@@H](C#N)C(=O)c2ccc(O[C@H]3CCOC3)cc2)n1 ZINC000584697936 459783977 /nfs/dbraw/zinc/78/39/77/459783977.db2.gz HKPVDJIMGQBZFT-GJZGRUSLSA-N -1 0 328.393 3.109 20 30 EGEDRM N#Cc1cccc(S(=O)(=O)[N-]c2csc(-c3ccccc3)n2)c1 ZINC000586750069 459861000 /nfs/dbraw/zinc/86/10/00/459861000.db2.gz AXFIIOXAQARIRV-UHFFFAOYSA-N -1 0 341.417 3.483 20 30 EGEDRM CC(C)(C)c1nc(C([O-])=C(C#N)c2nnc3n2CCCCC3)cs1 ZINC000588348883 459949211 /nfs/dbraw/zinc/94/92/11/459949211.db2.gz DLVPCSHTZUVRDC-LLVKDONJSA-N -1 0 343.456 3.249 20 30 EGEDRM CC(C)c1cnc([N-]S(=O)(=O)c2ccc(C#N)cc2F)s1 ZINC000610316261 460118951 /nfs/dbraw/zinc/11/89/51/460118951.db2.gz PXVNFWUHQPHGIP-UHFFFAOYSA-N -1 0 325.390 3.078 20 30 EGEDRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N([C@@H](C)C#N)C3CC3)n2)c1 ZINC000598137648 460184999 /nfs/dbraw/zinc/18/49/99/460184999.db2.gz MFSUMMQFIHTGAK-ZDUSSCGKSA-N -1 0 338.411 3.218 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)N2CC[C@H](C3CCCCC3)C2)cc1C#N ZINC000598150699 460190748 /nfs/dbraw/zinc/19/07/48/460190748.db2.gz GPWVGTXENMTOCC-ZDUSSCGKSA-N -1 0 345.468 3.423 20 30 EGEDRM CCOc1ccc(NC(=O)c2ccc(C#N)c([O-])c2)cc1OCC ZINC000615438058 460328218 /nfs/dbraw/zinc/32/82/18/460328218.db2.gz VDHPANSTKHOIMF-UHFFFAOYSA-N -1 0 326.352 3.314 20 30 EGEDRM CC(C)(C#N)c1ccc(C(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)cc1 ZINC000619434077 460355695 /nfs/dbraw/zinc/35/56/95/460355695.db2.gz BNSYEWFQMJQCOM-UHFFFAOYSA-N -1 0 348.362 3.083 20 30 EGEDRM CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2cccc(CC#N)c2)c1C ZINC000619463889 460362967 /nfs/dbraw/zinc/36/29/67/460362967.db2.gz SMZTUIMMAHWVIL-GFCCVEGCSA-N -1 0 332.429 3.029 20 30 EGEDRM Cn1ncc(C([O-])=C(C#N)c2nc3ccccc3o2)c1C(F)(F)F ZINC000619753825 460432058 /nfs/dbraw/zinc/43/20/58/460432058.db2.gz RKHZSHAQXLLDPA-QMMMGPOBSA-N -1 0 334.257 3.070 20 30 EGEDRM C=C(C)C[C@H](NC(=O)[C@@H](C)Oc1cccc2ccccc21)C(=O)[O-] ZINC000630320187 461094622 /nfs/dbraw/zinc/09/46/22/461094622.db2.gz QJYMXGHHQJEIDK-CJNGLKHVSA-N -1 0 327.380 3.143 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1)C(=O)[O-] ZINC000630320442 461095102 /nfs/dbraw/zinc/09/51/02/461095102.db2.gz WQIMDPKMOKGMBU-SCLBCKFNSA-N -1 0 341.407 3.488 20 30 EGEDRM C=CCC[C@H](NC(=O)NCc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000656596641 461800389 /nfs/dbraw/zinc/80/03/89/461800389.db2.gz KGAXKKPOXJKUNQ-LBPRGKRZSA-N -1 0 331.199 3.212 20 30 EGEDRM C=CCOc1ccc(C(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC000325265755 547475129 /nfs/dbraw/zinc/47/51/29/547475129.db2.gz KZNMOBIMNRYJNN-OAHLLOKOSA-N -1 0 331.412 3.214 20 30 EGEDRM C=C[C@@H](CC(=O)N[C@@]1(C(=O)[O-])CCc2ccccc21)c1ccccc1 ZINC000683309667 550216229 /nfs/dbraw/zinc/21/62/29/550216229.db2.gz IDRJTUCKXQCBRL-BTYIYWSLSA-N -1 0 335.403 3.389 20 30 EGEDRM CCCCCCCCCC(=O)[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000726348172 574550049 /nfs/dbraw/zinc/55/00/49/574550049.db2.gz ALVGFLZCXGPTOV-HNNXBMFYSA-N -1 0 333.494 3.142 20 30 EGEDRM Cc1cc2c(c(C)c1)NC(=O)C2=N[N-]c1nc(-c2ccccc2)no1 ZINC000726739034 574569187 /nfs/dbraw/zinc/56/91/87/574569187.db2.gz AVGNRBHETYOROT-UHFFFAOYSA-N -1 0 333.351 3.122 20 30 EGEDRM N#CCOc1ccc(CC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000738426550 574663584 /nfs/dbraw/zinc/66/35/84/574663584.db2.gz RNFULBBZOKMNPL-UHFFFAOYSA-N -1 0 344.754 3.122 20 30 EGEDRM C[C@@H](Oc1cccc(C(=O)/C=C2/COc3ccc(F)cc32)c1)C(=O)[O-] ZINC000729148497 574818692 /nfs/dbraw/zinc/81/86/92/574818692.db2.gz AQWGSUNPECEWKY-JYVXZMADSA-N -1 0 342.322 3.336 20 30 EGEDRM COc1ccc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000730144440 574924799 /nfs/dbraw/zinc/92/47/99/574924799.db2.gz MEFCVHGBVFNICN-UHFFFAOYSA-N -1 0 349.730 3.401 20 30 EGEDRM C=CCCCCCN(C)Cc1nc(=O)c2c(C)c(C(=O)[O-])sc2[nH]1 ZINC000736097310 575899180 /nfs/dbraw/zinc/89/91/80/575899180.db2.gz GBHAMAAJIZCBIP-UHFFFAOYSA-N -1 0 349.456 3.169 20 30 EGEDRM C=CC1CCN(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)CC1 ZINC000736096303 575899279 /nfs/dbraw/zinc/89/92/79/575899279.db2.gz KBYOHFCDYNNGDY-UHFFFAOYSA-N -1 0 343.427 3.415 20 30 EGEDRM C[C@@H](C#N)CNC(=O)c1ccccc1SCc1occc1C(=O)[O-] ZINC000736201972 575914437 /nfs/dbraw/zinc/91/44/37/575914437.db2.gz LFQZXDRRJFETMB-NSHDSACASA-N -1 0 344.392 3.160 20 30 EGEDRM C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(C(=O)[O-])cn1 ZINC000736201087 575914540 /nfs/dbraw/zinc/91/45/40/575914540.db2.gz GEDCJAZDYLTYOP-LLVKDONJSA-N -1 0 341.392 3.284 20 30 EGEDRM CC(C)(C)c1cc(C(=O)[O-])c(NC(=O)c2ccc(C#N)cn2)s1 ZINC000736293593 575928404 /nfs/dbraw/zinc/92/84/04/575928404.db2.gz DACKKKRZQONLES-UHFFFAOYSA-N -1 0 329.381 3.263 20 30 EGEDRM CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2cccc(C(=O)[O-])n2)cc1 ZINC000736298021 575929213 /nfs/dbraw/zinc/92/92/13/575929213.db2.gz ZNYYXUIACBIGBC-INIZCTEOSA-N -1 0 337.379 3.072 20 30 EGEDRM CC(C)(NC(=O)[O-])C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000736336515 575937315 /nfs/dbraw/zinc/93/73/15/575937315.db2.gz GMSIBIMNBCKCBP-UHFFFAOYSA-N -1 0 339.351 3.335 20 30 EGEDRM CC(C)(NC(=O)[O-])C(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC000736332495 575938285 /nfs/dbraw/zinc/93/82/85/575938285.db2.gz JMESRIWNQPWBJD-UHFFFAOYSA-N -1 0 328.393 3.133 20 30 EGEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000736486016 575971327 /nfs/dbraw/zinc/97/13/27/575971327.db2.gz IQPLUKUEHGPRTQ-KGLIPLIRSA-N -1 0 330.384 3.175 20 30 EGEDRM C[C@@H](CC(=O)[O-])SCC(=O)C=C1N(C)c2ccccc2C1(C)C ZINC000736551886 575983177 /nfs/dbraw/zinc/98/31/77/575983177.db2.gz LOJDEBQMCWONEB-SEJMYLSOSA-N -1 0 333.453 3.463 20 30 EGEDRM C[C@H](CSCC(=O)c1cn(CCC#N)c2ccccc12)C(=O)[O-] ZINC000736613397 575988805 /nfs/dbraw/zinc/98/88/05/575988805.db2.gz OLEWNYWWSMQIDC-GFCCVEGCSA-N -1 0 330.409 3.192 20 30 EGEDRM CCc1ccc(C(=O)C=Cc2ccc(OC)c(-c3nn[nH]n3)c2)s1 ZINC000736676825 576001644 /nfs/dbraw/zinc/00/16/44/576001644.db2.gz FMKPRONHDPONFB-QPJJXVBHSA-N -1 0 340.408 3.395 20 30 EGEDRM CCCNc1nnc(S[C@@H](C(=O)[O-])c2ccc(C#N)cc2)s1 ZINC000737030425 576085001 /nfs/dbraw/zinc/08/50/01/576085001.db2.gz XGTQAUHYCNWVDP-LLVKDONJSA-N -1 0 334.426 3.150 20 30 EGEDRM CCCOc1cccc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000737034391 576085721 /nfs/dbraw/zinc/08/57/21/576085721.db2.gz IWVSTXJUBJKPCC-QGZVFWFLSA-N -1 0 339.347 3.330 20 30 EGEDRM CCOc1cccc(/C=N/[C@H](CC(=O)[O-])c2ccc(OC)cc2)c1O ZINC000737211480 576136867 /nfs/dbraw/zinc/13/68/67/576136867.db2.gz UXENFYMKLSZHSO-DDLUMYACSA-N -1 0 343.379 3.434 20 30 EGEDRM Cc1ccc(N(CCC#N)C(=O)CS[C@@H](C)CC(=O)[O-])cc1C ZINC000738281144 576309840 /nfs/dbraw/zinc/30/98/40/576309840.db2.gz VSAQTKOHDMYZJL-AWEZNQCLSA-N -1 0 334.441 3.147 20 30 EGEDRM Cc1cccc(OCCC(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000738733714 576356791 /nfs/dbraw/zinc/35/67/91/576356791.db2.gz CUUBLDONDGPJLN-GOSISDBHSA-N -1 0 339.347 3.005 20 30 EGEDRM N#CCN(CC(=O)[O-])C(=O)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000739088196 576377376 /nfs/dbraw/zinc/37/73/76/576377376.db2.gz SBHRYYNKNLUUTF-UHFFFAOYSA-N -1 0 334.784 3.119 20 30 EGEDRM N#CCn1c(C(=O)Nc2ccc(C(=O)[O-])s2)cc2ccccc21 ZINC000739090970 576377486 /nfs/dbraw/zinc/37/74/86/576377486.db2.gz BWHYBYNCNYIUNU-UHFFFAOYSA-N -1 0 325.349 3.177 20 30 EGEDRM N#Cc1cc(F)ccc1CN(CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000739099332 576377820 /nfs/dbraw/zinc/37/78/20/576377820.db2.gz UYJUADUPUQYDAI-UHFFFAOYSA-N -1 0 348.324 3.452 20 30 EGEDRM N#Cc1ccc([C@@H](OC(=O)Cc2cccc3cccnc32)C(=O)[O-])cc1 ZINC000739116064 576378860 /nfs/dbraw/zinc/37/88/60/576378860.db2.gz YVKBAEQFRYCJCD-LJQANCHMSA-N -1 0 346.342 3.018 20 30 EGEDRM N#Cc1ccc(CNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])c(F)c1 ZINC000739118323 576378945 /nfs/dbraw/zinc/37/89/45/576378945.db2.gz RHMQIJCGJFKJAH-ZZXKWVIFSA-N -1 0 341.298 3.315 20 30 EGEDRM N#Cc1ccc(Nc2ccc(OCCCC(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000739121493 576379054 /nfs/dbraw/zinc/37/90/54/576379054.db2.gz SMJNGEDUPSATLI-UHFFFAOYSA-N -1 0 341.323 3.454 20 30 EGEDRM N#Cc1cccc(NC(=O)Nc2ccc(OCCCC(=O)[O-])cc2)c1 ZINC000739133149 576379434 /nfs/dbraw/zinc/37/94/34/576379434.db2.gz DRKLAVXNAJFSDN-UHFFFAOYSA-N -1 0 339.351 3.446 20 30 EGEDRM N#Cc1ccccc1/C=C\C(=O)N(CCC(=O)[O-])c1cccc(F)c1 ZINC000739139811 576379483 /nfs/dbraw/zinc/37/94/83/576379483.db2.gz KLKKGWOOMCDMQW-HJWRWDBZSA-N -1 0 338.338 3.218 20 30 EGEDRM N#Cc1cnc(NC[C@@H](Cc2cccc(F)c2)C(=O)[O-])c(Cl)c1 ZINC000739142415 576379530 /nfs/dbraw/zinc/37/95/30/576379530.db2.gz LJMGAMAYQKSULT-GFCCVEGCSA-N -1 0 333.750 3.101 20 30 EGEDRM C[C@](O)(C/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cccs1 ZINC000739425093 576410173 /nfs/dbraw/zinc/41/01/73/576410173.db2.gz BLNGDOOENQBXFZ-DCOUHSHFSA-N -1 0 340.788 3.342 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nc3ccsc3s2)c(F)c1 ZINC000740605537 576606533 /nfs/dbraw/zinc/60/65/33/576606533.db2.gz QLYHVCFUMXZAPN-UHFFFAOYSA-N -1 0 339.398 3.169 20 30 EGEDRM COc1ccccc1-c1ccc(C=NNc2nnc(C)c(=O)[n-]2)cc1 ZINC000741456526 576687693 /nfs/dbraw/zinc/68/76/93/576687693.db2.gz JZQOIIZWXASLSH-UHFFFAOYSA-N -1 0 335.367 3.007 20 30 EGEDRM C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC000741657521 576709087 /nfs/dbraw/zinc/70/90/87/576709087.db2.gz CVFSNURSUIBUNK-UHFFFAOYSA-N -1 0 333.384 3.255 20 30 EGEDRM C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000741657523 576709142 /nfs/dbraw/zinc/70/91/42/576709142.db2.gz CZSICGQQFFZHDX-UHFFFAOYSA-N -1 0 337.347 3.086 20 30 EGEDRM CN(CCC(=O)[O-])C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000818435561 596986123 /nfs/dbraw/zinc/98/61/23/596986123.db2.gz JYKCXJGXYBTYGE-UHFFFAOYSA-N -1 0 339.351 3.289 20 30 EGEDRM N#Cc1ccc(Oc2ccc(NC(=O)NCCCC(=O)[O-])cc2)cc1 ZINC000819106195 597319696 /nfs/dbraw/zinc/31/96/96/597319696.db2.gz DESJOEPAVRGVAZ-UHFFFAOYSA-N -1 0 339.351 3.337 20 30 EGEDRM N#CCC[C@@H](NC(=O)Nc1cccc(CC(=O)[O-])c1)c1ccccc1 ZINC000821320144 597355390 /nfs/dbraw/zinc/35/53/90/597355390.db2.gz JYNPCMZBOUIJFK-QGZVFWFLSA-N -1 0 337.379 3.480 20 30 EGEDRM C[C@@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])c1ccc(Cl)cc1Cl ZINC000820114539 598222014 /nfs/dbraw/zinc/22/20/14/598222014.db2.gz PDPCPBKYAIVKFD-CLAHSXSESA-N -1 0 329.183 3.175 20 30 EGEDRM Cc1nc(-c2ccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])cc2)cs1 ZINC000821153081 598222952 /nfs/dbraw/zinc/22/29/52/598222952.db2.gz NPKAJPPPKCYJLW-MRXNPFEDSA-N -1 0 329.381 3.062 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1nc2c(ccc3c2CCCC3)s1 ZINC000819866050 598227623 /nfs/dbraw/zinc/22/76/23/598227623.db2.gz QRJXWPVIYRDRQS-KRWDZBQOSA-N -1 0 343.408 3.118 20 30 EGEDRM C[C@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)C(=O)[O-] ZINC000737689330 600249006 /nfs/dbraw/zinc/24/90/06/600249006.db2.gz NLKUXPLPVBPXNB-JTQLQIEISA-N -1 0 344.754 3.207 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)c2ccc(F)cc2Cl)C(=O)[O-])cc1 ZINC000739116045 600604819 /nfs/dbraw/zinc/60/48/19/600604819.db2.gz YAPGYEFALQDUKK-AWEZNQCLSA-N -1 0 333.702 3.333 20 30 EGEDRM COc1ccc([C@H](C)C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000737950444 600617716 /nfs/dbraw/zinc/61/77/16/600617716.db2.gz QUFNTCVQXMUNBZ-SJCJKPOMSA-N -1 0 339.347 3.039 20 30 EGEDRM C=CCOc1ccc(OS(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000825698422 600793765 /nfs/dbraw/zinc/79/37/65/600793765.db2.gz IFTNKNJKNHNTLV-UHFFFAOYSA-N -1 0 348.376 3.026 20 30 EGEDRM N#Cc1ccsc1C(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000833076494 600801335 /nfs/dbraw/zinc/80/13/35/600801335.db2.gz HLGSDWSWLIZEPZ-GFCCVEGCSA-N -1 0 334.784 3.219 20 30 EGEDRM N#Cc1ccc(SCC(=O)Nc2ccsc2C(=O)[O-])c(F)c1 ZINC000739133084 600816212 /nfs/dbraw/zinc/81/62/12/600816212.db2.gz ZPCBXEFSDLMIPH-UHFFFAOYSA-N -1 0 336.369 3.188 20 30 EGEDRM CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000826951771 600914147 /nfs/dbraw/zinc/91/41/47/600914147.db2.gz PHZIFLAFRKLAOI-DLBZAZTESA-N -1 0 328.412 3.186 20 30 EGEDRM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000826881097 600915150 /nfs/dbraw/zinc/91/51/50/600915150.db2.gz DPLGUKLGHVSSGP-ROUUACIJSA-N -1 0 342.439 3.434 20 30 EGEDRM C[C@@H](NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F)c1cccc(C#N)c1 ZINC000827664414 601012696 /nfs/dbraw/zinc/01/26/96/601012696.db2.gz HBPKQMGXUZIRHM-SECBINFHSA-N -1 0 345.305 3.417 20 30 EGEDRM Cc1ccc(NC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)cc1C(=O)[O-] ZINC000832942315 601066467 /nfs/dbraw/zinc/06/64/67/601066467.db2.gz XRHIADPBLVTPIT-SFHVURJKSA-N -1 0 349.390 3.172 20 30 EGEDRM N#Cc1ccccc1/C=C\C(=O)O[C@@H](C(=O)[O-])c1ccccc1F ZINC000833074759 601095968 /nfs/dbraw/zinc/09/59/68/601095968.db2.gz BGCPGPIULCQBLV-DOOKAGJSSA-N -1 0 325.295 3.080 20 30 EGEDRM COc1cc(C#N)cc(Cl)c1OC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000831861285 601147251 /nfs/dbraw/zinc/14/72/51/601147251.db2.gz SWIWSFJQDLZGCO-QWRGUYRKSA-N -1 0 337.759 3.017 20 30 EGEDRM C=CCc1ccccc1OS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000825706001 601207106 /nfs/dbraw/zinc/20/71/06/601207106.db2.gz XADZGJUBAOIRKV-JLHYYAGUSA-N -1 0 344.388 3.281 20 30 EGEDRM CN(Cc1nc2ccccc2s1)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830879607 601310424 /nfs/dbraw/zinc/31/04/24/601310424.db2.gz RLOHPWKGSWZDHE-QGZVFWFLSA-N -1 0 337.404 3.426 20 30 EGEDRM O=C([O-])c1ccc(/C=C/C(=O)c2ccc(F)cc2OC(F)F)[nH]1 ZINC000833312093 601332925 /nfs/dbraw/zinc/33/29/25/601332925.db2.gz JFVFBBTWUOQUHC-ZZXKWVIFSA-N -1 0 325.242 3.350 20 30 EGEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)CS[C@H](C)C(=O)[O-] ZINC000827218570 601344894 /nfs/dbraw/zinc/34/48/94/601344894.db2.gz RIVPVROMJSPVHY-GHMZBOCLSA-N -1 0 338.454 3.226 20 30 EGEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)CS[C@@H](C)C(=O)[O-] ZINC000825967661 601346571 /nfs/dbraw/zinc/34/65/71/601346571.db2.gz YAXHCALMNRCALW-QWRGUYRKSA-N -1 0 338.454 3.083 20 30 EGEDRM N#Cc1cccc([C@H](OC(=O)c2cc(-c3ccccc3)no2)C(=O)[O-])c1 ZINC000833077514 601349701 /nfs/dbraw/zinc/34/97/01/601349701.db2.gz VEJYPYOHOHHWPE-KRWDZBQOSA-N -1 0 348.314 3.196 20 30 EGEDRM COc1ccc([C@@H](NCC#Cc2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC000832244507 601419090 /nfs/dbraw/zinc/41/90/90/601419090.db2.gz CYNPZFKVFPJAMI-QGZVFWFLSA-N -1 0 329.783 3.116 20 30 EGEDRM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cccc(C(=O)[O-])c1 ZINC000821320127 601426501 /nfs/dbraw/zinc/42/65/01/601426501.db2.gz JQOJTUXASQUNJU-ROUUACIJSA-N -1 0 334.375 3.297 20 30 EGEDRM CCN(CC(=O)[O-])C(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000829628658 601450855 /nfs/dbraw/zinc/45/08/55/601450855.db2.gz RJSSKNUEWUYBMC-UHFFFAOYSA-N -1 0 340.404 3.256 20 30 EGEDRM Cc1nc(CNc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)no1 ZINC000832999746 601606417 /nfs/dbraw/zinc/60/64/17/601606417.db2.gz JSBIWUDGIYOFQT-UHFFFAOYSA-N -1 0 333.347 3.088 20 30 EGEDRM CC[C@H](NC(=O)c1ccccc1Sc1ccccc1C#N)C(=O)[O-] ZINC000828978586 601751427 /nfs/dbraw/zinc/75/14/27/601751427.db2.gz WUKVSWHFDPGWCW-AWEZNQCLSA-N -1 0 340.404 3.302 20 30 EGEDRM Cn1cncc1CNc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000833058909 601908863 /nfs/dbraw/zinc/90/88/63/601908863.db2.gz PJTIRHYXHUDGNA-UHFFFAOYSA-N -1 0 331.375 3.130 20 30 EGEDRM N#Cc1cc(NC(=O)N[C@H]2CCCCCC[C@@H]2C(=O)[O-])ccc1F ZINC000833069842 602037833 /nfs/dbraw/zinc/03/78/33/602037833.db2.gz UYHZPUAQKXNBPG-ZFWWWQNUSA-N -1 0 333.363 3.242 20 30 EGEDRM N#Cc1cc(NC(=O)N[C@@H]2CCCCCC[C@@H]2C(=O)[O-])ccc1F ZINC000833069839 602038045 /nfs/dbraw/zinc/03/80/45/602038045.db2.gz UYHZPUAQKXNBPG-DZGCQCFKSA-N -1 0 333.363 3.242 20 30 EGEDRM COc1cc(C(=O)[O-])cc(NCc2ccc(F)c(C#N)c2)c1OC ZINC000831913255 602105234 /nfs/dbraw/zinc/10/52/34/602105234.db2.gz NDHBJXYDGZJAEF-UHFFFAOYSA-N -1 0 330.315 3.025 20 30 EGEDRM C#CCOc1cc(F)ccc1NC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000817675288 602105296 /nfs/dbraw/zinc/10/52/96/602105296.db2.gz LWNVSFBVYBGIBD-UHFFFAOYSA-N -1 0 342.326 3.109 20 30 EGEDRM Cc1ccc(NCc2nnc(-c3cccc(C#N)c3)o2)cc1C(=O)[O-] ZINC000832951087 602128799 /nfs/dbraw/zinc/12/87/99/602128799.db2.gz CHRNDQSIVHDUPB-UHFFFAOYSA-N -1 0 334.335 3.227 20 30 EGEDRM N#Cc1cccc(SCC(=O)NCc2ccc(NC(=O)[O-])cc2)c1 ZINC000833075259 602290713 /nfs/dbraw/zinc/29/07/13/602290713.db2.gz OYMRMGAXADYPPB-UHFFFAOYSA-N -1 0 341.392 3.057 20 30 EGEDRM CC(C)c1nc(-c2nnn[n-]2)c(N=NC=CCc2ccc(F)cc2)o1 ZINC000824352391 607652837 /nfs/dbraw/zinc/65/28/37/607652837.db2.gz BXTQNIOGJPJSIW-SULFSDHOSA-N -1 0 341.350 3.228 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1ccnn1C(C)C ZINC000825705956 604376055 /nfs/dbraw/zinc/37/60/55/604376055.db2.gz WPHHJIJCQZBSJS-UHFFFAOYSA-N -1 0 344.367 3.119 20 30 EGEDRM CC(C)(C(=O)[O-])[C@H](NC(=O)c1cc(C#N)cs1)c1ccccc1 ZINC000826103785 604385446 /nfs/dbraw/zinc/38/54/46/604385446.db2.gz XDFIYADJGZNWSE-CQSZACIVSA-N -1 0 328.393 3.202 20 30 EGEDRM Cc1ccc(C)c(N2CCN([C@H](C(=O)[O-])c3cccc(C#N)c3)CC2)c1 ZINC000832925912 604505568 /nfs/dbraw/zinc/50/55/68/604505568.db2.gz IZMGJCRTUKHCLX-FQEVSTJZSA-N -1 0 349.434 3.123 20 30 EGEDRM CC(C)(C)OC(=O)C1CCC(N=Nc2ccc(C(=O)[O-])cn2)CC1 ZINC000768366497 604536826 /nfs/dbraw/zinc/53/68/26/604536826.db2.gz GOPATNUGSNVXJM-UHFFFAOYSA-N -1 0 333.388 3.080 20 30 EGEDRM C[C@@H](OC1CCCCCC1)C(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC000833536653 604584356 /nfs/dbraw/zinc/58/43/56/604584356.db2.gz SPZTUCMYOUHADX-CYBMUJFWSA-N -1 0 345.395 3.428 20 30 EGEDRM C#CC[C@H](NC(=O)Nc1ccc(CNC(=O)[O-])cc1)c1ccccc1 ZINC000833361278 604658443 /nfs/dbraw/zinc/65/84/43/604658443.db2.gz ZWKWPQJKBUYEDV-KRWDZBQOSA-N -1 0 337.379 3.340 20 30 EGEDRM CCCOc1c(CN=Nc2ccc(C(=O)[O-])cn2)cccc1OCC ZINC000763377433 604669174 /nfs/dbraw/zinc/66/91/74/604669174.db2.gz OICNKNMYGSKWKT-UHFFFAOYSA-N -1 0 343.383 3.413 20 30 EGEDRM CC(C)(C)CN(CCC#N)c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000833430256 604773060 /nfs/dbraw/zinc/77/30/60/604773060.db2.gz MELKCEFJKUCJAV-SOFGYWHQSA-N -1 0 331.372 3.459 20 30 EGEDRM N#C[C@@H](COC(=O)c1ccc(C(=O)[O-])c(F)c1)Cc1ccc(F)cc1 ZINC000833063414 604883674 /nfs/dbraw/zinc/88/36/74/604883674.db2.gz JXRDZAFFLPTTQI-LBPRGKRZSA-N -1 0 345.301 3.202 20 30 EGEDRM C=C(C)CN(CC)C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000825641961 604915140 /nfs/dbraw/zinc/91/51/40/604915140.db2.gz BNLGVMBBMQTMCJ-UHFFFAOYSA-N -1 0 326.780 3.233 20 30 EGEDRM Cc1[nH]c(C(=O)N[C@H](CCC#N)c2ccccc2)c(C)c1C(=O)[O-] ZINC000833739371 604941628 /nfs/dbraw/zinc/94/16/28/604941628.db2.gz CLDFUMYQNRWOCG-CQSZACIVSA-N -1 0 325.368 3.105 20 30 EGEDRM C=CCn1nnnc1S[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000833380645 605072038 /nfs/dbraw/zinc/07/20/38/605072038.db2.gz LTCDGOPVYQEDBL-JTQLQIEISA-N -1 0 345.211 3.084 20 30 EGEDRM C#CCOc1ccc([C@H](C)OC(=O)C2CCC(C(=O)[O-])CC2)cc1 ZINC000833367374 605116361 /nfs/dbraw/zinc/11/63/61/605116361.db2.gz VZAJPCKIJSJAPC-JEYLPNPQSA-N -1 0 330.380 3.194 20 30 EGEDRM CC1=C(C(=O)[O-])C[C@@H](CSc2nc3c(cc2C#N)CCCC3)O1 ZINC000833582681 605234610 /nfs/dbraw/zinc/23/46/10/605234610.db2.gz YEZBYCMGDIYDJM-ZDUSSCGKSA-N -1 0 330.409 3.072 20 30 EGEDRM C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(NC(=O)[O-])c(F)c1 ZINC000833541960 605275443 /nfs/dbraw/zinc/27/54/43/605275443.db2.gz XUOYLLRBQWUHRU-JTQLQIEISA-N -1 0 343.314 3.193 20 30 EGEDRM C=CCOc1ccccc1CNC(=O)NCC1(C(=O)[O-])CCCCC1 ZINC000833378218 605393115 /nfs/dbraw/zinc/39/31/15/605393115.db2.gz BCMUQNLAMJFGID-UHFFFAOYSA-N -1 0 346.427 3.086 20 30 EGEDRM CC(=NNc1ccccc1C(=O)[O-])c1cc2c(s1)SCC(=O)N2 ZINC000778539812 605416723 /nfs/dbraw/zinc/41/67/23/605416723.db2.gz FKJCHLLHBGEFEE-UHFFFAOYSA-N -1 0 347.421 3.327 20 30 EGEDRM C=C[C@H](CC(=O)N(C)c1ccc(OCC(=O)[O-])cc1)c1ccccc1 ZINC000833371416 605456950 /nfs/dbraw/zinc/45/69/50/605456950.db2.gz PTWVFGBWMIIOKS-OAHLLOKOSA-N -1 0 339.391 3.473 20 30 EGEDRM COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)[O-])cc2)cc1F ZINC000023273028 1291233590 /nfs/dbraw/zinc/23/35/90/1291233590.db2.gz FIAABJCISVDBAD-XBXARRHUSA-N -1 0 330.311 3.194 20 30 EGEDRM COc1ccc(CC(=O)[N-]S(=O)(=O)C=Cc2ccccc2)cc1 ZINC000042320433 1291440479 /nfs/dbraw/zinc/44/04/79/1291440479.db2.gz FESYZXOOEBAJTC-VAWYXSNFSA-N -1 0 331.393 3.195 20 30 EGEDRM O=C([N-]S(=O)(=O)Cc1ccc(F)cc1)c1ccccc1Cl ZINC000045100016 1291505304 /nfs/dbraw/zinc/50/53/04/1291505304.db2.gz VIKJAXYCQPFWQH-UHFFFAOYSA-N -1 0 327.764 3.314 20 30 EGEDRM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)[C@H](C)Oc2ccccc2)c1 ZINC000046929279 1291557613 /nfs/dbraw/zinc/55/76/13/1291557613.db2.gz LIHDJBNOUSAJBP-AWEZNQCLSA-N -1 0 333.409 3.416 20 30 EGEDRM O=C([N-]S(=O)(=O)c1ccccc1)c1sccc1Br ZINC000048406103 1291603001 /nfs/dbraw/zinc/60/30/01/1291603001.db2.gz IVLBESKYCVEFIO-UHFFFAOYSA-N -1 0 346.227 3.204 20 30 EGEDRM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)COC2CCCCC2)c1 ZINC000048472374 1291606788 /nfs/dbraw/zinc/60/67/88/1291606788.db2.gz MHBHMDXVGRCPQY-UHFFFAOYSA-N -1 0 325.430 3.298 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)CCSc2ccccc2)cc1 ZINC000048496955 1291607661 /nfs/dbraw/zinc/60/76/61/1291607661.db2.gz ONNFUGVBENTOAJ-UHFFFAOYSA-N -1 0 346.433 3.386 20 30 EGEDRM CCC(CC)C(=O)[N-]S(=O)(=O)c1cc(C)c(C)c([N+](=O)[O-])c1 ZINC000048504340 1291607821 /nfs/dbraw/zinc/60/78/21/1291607821.db2.gz OHEDTJUVAQUZBA-UHFFFAOYSA-N -1 0 328.390 3.293 20 30 EGEDRM CS[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000048519086 1291608855 /nfs/dbraw/zinc/60/88/55/1291608855.db2.gz WXXFSOBGRJEMRF-ZETCQYMHSA-N -1 0 327.349 3.102 20 30 EGEDRM O=C([N-]S(=O)(=O)C=Cc1ccccc1)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000048529842 1291609769 /nfs/dbraw/zinc/60/97/69/1291609769.db2.gz ABWCRCVFAFETBL-VFJJTBCNSA-N -1 0 347.436 3.339 20 30 EGEDRM Cc1cccc(CCC(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)c1 ZINC000048599444 1291611966 /nfs/dbraw/zinc/61/19/66/1291611966.db2.gz SHFQRYRIFRNKDB-UHFFFAOYSA-N -1 0 328.393 3.145 20 30 EGEDRM C[C@H](OCc1ccccc1)C(=O)[N-]S(=O)(=O)c1ccccc1F ZINC000048592709 1291612460 /nfs/dbraw/zinc/61/24/60/1291612460.db2.gz PPXFEHWPKYDXIA-LBPRGKRZSA-N -1 0 337.372 3.076 20 30 EGEDRM O=C([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1)c1cccs1 ZINC000048613611 1291613781 /nfs/dbraw/zinc/61/37/81/1291613781.db2.gz GGEVDJZXAJMHNB-UHFFFAOYSA-N -1 0 335.328 3.460 20 30 EGEDRM Cn1cc(C(=O)[N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)cn1 ZINC000048613340 1291613798 /nfs/dbraw/zinc/61/37/98/1291613798.db2.gz LPRPDSFVSREKJI-UHFFFAOYSA-N -1 0 347.440 3.161 20 30 EGEDRM Cn1cc(CC(=O)[N-]S(=O)(=O)C2CCCCC2)c2ccccc21 ZINC000058080695 1291878586 /nfs/dbraw/zinc/87/85/86/1291878586.db2.gz AKCFEFUIAUVWRW-UHFFFAOYSA-N -1 0 334.441 3.340 20 30 EGEDRM COc1ccc(CCCC(=O)[N-]S(=O)(=O)c2cccs2)cc1 ZINC000061067017 1291959797 /nfs/dbraw/zinc/95/97/97/1291959797.db2.gz VFIIYDFYALJNHS-UHFFFAOYSA-N -1 0 339.438 3.425 20 30 EGEDRM O=C([N-]S(=O)(=O)c1ccccc1F)c1nccc2ccccc21 ZINC000073087388 1292305272 /nfs/dbraw/zinc/30/52/72/1292305272.db2.gz ZWZIMCWHCUOJBB-UHFFFAOYSA-N -1 0 330.340 3.067 20 30 EGEDRM O=C([N-]S(=O)(=O)c1cccc(Cl)c1)[C@H]1COc2ccccc21 ZINC000073086984 1292305293 /nfs/dbraw/zinc/30/52/93/1292305293.db2.gz GNFFTRNMNJDHAU-ZDUSSCGKSA-N -1 0 337.784 3.161 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccoc2)c(Br)c1 ZINC000075040559 1292380976 /nfs/dbraw/zinc/38/09/76/1292380976.db2.gz NOIJXZLZCNRYBK-UHFFFAOYSA-N -1 0 344.186 3.044 20 30 EGEDRM CC(C)Cn1cc(C(=O)Nc2cc(C#N)ccc2[O-])c(C(F)F)n1 ZINC000827829328 1292383864 /nfs/dbraw/zinc/38/38/64/1292383864.db2.gz LWBZLAJENQAHNY-UHFFFAOYSA-N -1 0 334.326 3.306 20 30 EGEDRM C[C@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000076755886 1292440210 /nfs/dbraw/zinc/44/02/10/1292440210.db2.gz GOMDPZNZURTBBY-QWRGUYRKSA-N -1 0 326.374 3.066 20 30 EGEDRM CCOc1ccc(CC(=O)[N-]S(=O)(=O)c2cccs2)cc1 ZINC000077942313 1292491235 /nfs/dbraw/zinc/49/12/35/1292491235.db2.gz GKWABXYMELOGON-UHFFFAOYSA-N -1 0 325.411 3.035 20 30 EGEDRM CCCc1ccc(S(=O)(=O)[N-]C(=O)C[C@@H]2CCCCO2)cc1 ZINC000088800498 1292756917 /nfs/dbraw/zinc/75/69/17/1292756917.db2.gz VCADYMNATSTUSL-AWEZNQCLSA-N -1 0 325.430 3.244 20 30 EGEDRM CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)c1cnc([C@@H]2CCCO2)s1 ZINC000089970594 1292782271 /nfs/dbraw/zinc/78/22/71/1292782271.db2.gz YEONDEJDLUITED-MNOVXSKESA-N -1 0 346.474 3.065 20 30 EGEDRM CCCS(=O)(=O)[N-]C(=O)C1(c2ccc(F)cc2F)CCCC1 ZINC000089971934 1292782582 /nfs/dbraw/zinc/78/25/82/1292782582.db2.gz IAPXVOSBTMYHSV-UHFFFAOYSA-N -1 0 331.384 3.473 20 30 EGEDRM Cc1cc(C)c(C(=O)[N-]S(=O)(=O)c2ccc(OC(C)C)cc2)o1 ZINC000091127192 1292822993 /nfs/dbraw/zinc/82/29/93/1292822993.db2.gz MCZRWKNWJARGHA-UHFFFAOYSA-N -1 0 337.397 3.377 20 30 EGEDRM Cc1cc(C)c(C)c(S(=O)(=O)[N-]C(=O)c2cc(C3CC3)n[nH]2)c1C ZINC000097465442 1292960438 /nfs/dbraw/zinc/96/04/38/1292960438.db2.gz NRQROPOLCLJFFK-UHFFFAOYSA-N -1 0 347.440 3.214 20 30 EGEDRM CC(CCc1ccc(O[C@H](C)C(=O)[O-])cc1)=NN[C@@H]1CCOC1(C)C ZINC000835020644 1293189557 /nfs/dbraw/zinc/18/95/57/1293189557.db2.gz JEVOTIXSMAGYAL-RHSMWYFYSA-N -1 0 348.443 3.004 20 30 EGEDRM CC[C@@H](CC(C)C)C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000835141741 1293219049 /nfs/dbraw/zinc/21/90/49/1293219049.db2.gz JMSQRYXAHSPKAI-NSHDSACASA-N -1 0 342.848 3.089 20 30 EGEDRM CC(=Cc1ccccc1Cl)C(O)=C(C#N)C(=O)c1nccn1C ZINC000119055013 1293252032 /nfs/dbraw/zinc/25/20/32/1293252032.db2.gz WNPSKTGFMLHSBA-FUWURINLSA-N -1 0 327.771 3.069 20 30 EGEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1ccc(SC(F)F)cc1 ZINC000119808876 1293290074 /nfs/dbraw/zinc/29/00/74/1293290074.db2.gz HDOWMWRWTCZJJY-ZDUSSCGKSA-N -1 0 338.379 3.383 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cc(F)cc(C(F)(F)F)c1 ZINC000119931133 1293294316 /nfs/dbraw/zinc/29/43/16/1293294316.db2.gz QILZUQTUGPOOPH-ZDUSSCGKSA-N -1 0 344.308 3.473 20 30 EGEDRM CCCCCCCC(=O)[N-]S(=O)(=O)c1cncc(OC(C)C)c1 ZINC000835853799 1293387270 /nfs/dbraw/zinc/38/72/70/1293387270.db2.gz NBULENORFFAGAF-UHFFFAOYSA-N -1 0 342.461 3.034 20 30 EGEDRM Cc1[nH]c2ccc(C([O-])=C(C#N)C(=O)NCc3ccccc3)cc2c1C ZINC000126691898 1293541919 /nfs/dbraw/zinc/54/19/19/1293541919.db2.gz DYDNMUFDXYSIDW-SFHVURJKSA-N -1 0 345.402 3.424 20 30 EGEDRM CSc1ccc(C)c(C([O-])=C(C#N)C(=O)NCc2ccccc2)c1 ZINC000126807043 1293544475 /nfs/dbraw/zinc/54/44/75/1293544475.db2.gz RZTPHPCDNPPBBL-KRWDZBQOSA-N -1 0 338.432 3.356 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)C(=O)NC2CC2)c(C)n1C1CCCCC1 ZINC000129443087 1293623850 /nfs/dbraw/zinc/62/38/50/1293623850.db2.gz SJVJRPFRZUHRGK-QGZVFWFLSA-N -1 0 327.428 3.211 20 30 EGEDRM Cc1nc(-c2ccc(F)cc2)sc1C([O-])=C(C#N)C(=O)NC(C)C ZINC000130715011 1293666574 /nfs/dbraw/zinc/66/65/74/1293666574.db2.gz XZZICMVPPOCHHV-CYBMUJFWSA-N -1 0 345.399 3.105 20 30 EGEDRM CCCCCCOc1ccc(C([O-])=C(C#N)C(=O)NC(C)C)cc1 ZINC000130820471 1293669857 /nfs/dbraw/zinc/66/98/57/1293669857.db2.gz AHWJBXWYENHBKE-KRWDZBQOSA-N -1 0 330.428 3.493 20 30 EGEDRM CNC(=O)C(C#N)=C([O-])c1ccc(-c2nc3ccccc3s2)s1 ZINC000133216905 1293739644 /nfs/dbraw/zinc/73/96/44/1293739644.db2.gz DBDROJSMLBKWES-VIFPVBQESA-N -1 0 341.417 3.093 20 30 EGEDRM C=C[C@@H](CC(=O)[N-]S(=O)(=O)Cc1ccc(F)cc1)c1ccccc1 ZINC000136083126 1293808409 /nfs/dbraw/zinc/80/84/09/1293808409.db2.gz DZVMWELURONJQO-HNNXBMFYSA-N -1 0 347.411 3.132 20 30 EGEDRM COc1cc(C([O-])=C(C#N)C(=O)NC2CCCCC2)ccc1Cl ZINC000136584141 1293818617 /nfs/dbraw/zinc/81/86/17/1293818617.db2.gz SNNUVINOKYMLBE-ZDUSSCGKSA-N -1 0 334.803 3.120 20 30 EGEDRM COCCOc1ccc(/C=C/C(=O)c2ccc(OC)cc2[O-])cc1 ZINC000156615431 1294151547 /nfs/dbraw/zinc/15/15/47/1294151547.db2.gz DHWAZEKCLLWHOH-BJMVGYQFSA-N -1 0 328.364 3.322 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)n2)c(Cl)c1 ZINC000162278206 1294311943 /nfs/dbraw/zinc/31/19/43/1294311943.db2.gz XMXZDTKFZDXHRS-UHFFFAOYSA-N -1 0 328.180 3.061 20 30 EGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CCc1cscn1 ZINC000172019058 1294426158 /nfs/dbraw/zinc/42/61/58/1294426158.db2.gz XADGFHXYJJQAPW-AWEZNQCLSA-N -1 0 337.404 3.457 20 30 EGEDRM COCCOc1ccc(C(=O)/C=C/c2cc([O-])ccc2[N+](=O)[O-])cc1 ZINC000176380380 1294602704 /nfs/dbraw/zinc/60/27/04/1294602704.db2.gz IFLNLPMAWFQRQJ-RUDMXATFSA-N -1 0 343.335 3.222 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)CCC(=O)c2ccc3c(c2)CCC3)c1 ZINC000176819237 1294633072 /nfs/dbraw/zinc/63/30/72/1294633072.db2.gz CPAVRLJMUQGQOM-UHFFFAOYSA-N -1 0 334.375 3.354 20 30 EGEDRM C=CCc1cc(C(=O)Nc2cc(C#N)ccc2[O-])cc(OC)c1OC ZINC000176823765 1294635664 /nfs/dbraw/zinc/63/56/64/1294635664.db2.gz CHHKBHCAAVGAEY-UHFFFAOYSA-N -1 0 338.363 3.262 20 30 EGEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1cnc2ccc(F)cc2c1 ZINC000179611835 1294808123 /nfs/dbraw/zinc/80/81/23/1294808123.db2.gz GOWBZTMIJBYDSM-QGZVFWFLSA-N -1 0 347.349 3.013 20 30 EGEDRM CC(=O)Nc1ccc(C(=O)/C=C/c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000180452249 1294888343 /nfs/dbraw/zinc/88/83/43/1294888343.db2.gz OOOGGKLQPPJBIR-KRXBUXKQSA-N -1 0 326.308 3.155 20 30 EGEDRM Cc1cccc(S(=O)(=O)[N-]c2ccccc2O[C@@H](C)C#N)c1F ZINC000180523112 1294897605 /nfs/dbraw/zinc/89/76/05/1294897605.db2.gz XAMRNJYDOGEOJF-LBPRGKRZSA-N -1 0 334.372 3.226 20 30 EGEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1cccc(Oc2ccccn2)c1 ZINC000870158732 1295708784 /nfs/dbraw/zinc/70/87/84/1295708784.db2.gz JPKANOYRWVTJDC-KRWDZBQOSA-N -1 0 349.390 3.255 20 30 EGEDRM CCCCCCCS(=O)(=O)[N-]c1nn(C(C)(C)C)cc1C#N ZINC000194794821 1296010403 /nfs/dbraw/zinc/01/04/03/1296010403.db2.gz UBFWTGDCLPQKSS-UHFFFAOYSA-N -1 0 326.466 3.222 20 30 EGEDRM COc1ccc(C=Nn2c(=S)[n-]nc2-c2ccco2)cc1OC ZINC000254303049 1296470627 /nfs/dbraw/zinc/47/06/27/1296470627.db2.gz IMODQSYJEGODHQ-UHFFFAOYSA-N -1 0 330.369 3.100 20 30 EGEDRM CCNC(=O)c1ccc(C)c(N=Cc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000255136655 1296503320 /nfs/dbraw/zinc/50/33/20/1296503320.db2.gz BIOXLTIUZVZJGD-UHFFFAOYSA-N -1 0 327.340 3.109 20 30 EGEDRM Cc1c(C[S@](C)=O)cccc1N=Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000255278963 1296513338 /nfs/dbraw/zinc/51/33/38/1296513338.db2.gz RNKOQAAEHYYVQP-QHCPKHFHSA-N -1 0 332.381 3.238 20 30 EGEDRM O=[N+]([O-])c1cc(Cl)cc(C=Nc2cccc3c2OCCO3)c1[O-] ZINC000255438686 1296533647 /nfs/dbraw/zinc/53/36/47/1296533647.db2.gz GCWJLGDMDAGVJE-UHFFFAOYSA-N -1 0 334.715 3.476 20 30 EGEDRM C=CCOc1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc1Cl ZINC000255506207 1296539301 /nfs/dbraw/zinc/53/93/01/1296539301.db2.gz OPKNCUNADZSJNP-AATOQMJSSA-N -1 0 346.766 3.133 20 30 EGEDRM CC(=O)N(c1nc(/C=C\C(=O)c2ccc([O-])c(F)c2)cs1)C1CC1 ZINC000255675695 1296559867 /nfs/dbraw/zinc/55/98/67/1296559867.db2.gz UAGVWMOTNJDJOO-CLTKARDFSA-N -1 0 346.383 3.399 20 30 EGEDRM COCCOc1ccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])c(C)c1 ZINC000255736785 1296564262 /nfs/dbraw/zinc/56/42/62/1296564262.db2.gz RCHVUFNPHBZVII-UHFFFAOYSA-N -1 0 330.340 3.385 20 30 EGEDRM Cc1ccc2c(ncc(C#N)c2N(C)CCC(=O)[O-])c1Br ZINC000263395291 1296681420 /nfs/dbraw/zinc/68/14/20/1296681420.db2.gz HMPRSELNCNICNA-UHFFFAOYSA-N -1 0 348.200 3.088 20 30 EGEDRM C=CCC[C@@H](NC(=O)[C@@H](C)Oc1cccc2ccccc21)C(=O)[O-] ZINC000263519673 1296687950 /nfs/dbraw/zinc/68/79/50/1296687950.db2.gz GNDNDOMXNXGXFP-CZUORRHYSA-N -1 0 327.380 3.143 20 30 EGEDRM C=CC(C)(C)C(=O)[N-]S(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000873582930 1297609040 /nfs/dbraw/zinc/60/90/40/1297609040.db2.gz ZWKJBUXVTFGSKE-UHFFFAOYSA-N -1 0 336.240 3.152 20 30 EGEDRM C=CC[C@H](C(=O)[N-]S(=O)(=O)/C=C\c1ccccc1)c1ccccc1 ZINC000588528035 1298078673 /nfs/dbraw/zinc/07/86/73/1298078673.db2.gz YGUFEWLLWKMPGB-OUFNUQFJSA-N -1 0 341.432 3.463 20 30 EGEDRM CC(=Cc1ccc(Cl)c([N+](=O)[O-])c1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000588611113 1298092061 /nfs/dbraw/zinc/09/20/61/1298092061.db2.gz YJEFBDLNIPNQFK-VMPITWQZSA-N -1 0 330.731 3.072 20 30 EGEDRM CCc1ccc2c(c1)C(=N[N-]c1oc(CC(C)C)nc1C#N)C(=O)N2 ZINC000745613348 1298430624 /nfs/dbraw/zinc/43/06/24/1298430624.db2.gz RLBCFBLSGLQIEQ-UHFFFAOYSA-N -1 0 337.383 3.075 20 30 EGEDRM C[C@H](Oc1cccc(/C=C2/COc3c(F)cccc3C2=O)c1)C(=O)[O-] ZINC000746683553 1298639282 /nfs/dbraw/zinc/63/92/82/1298639282.db2.gz CZOOKWBOHNURCX-LFTLCWSBSA-N -1 0 342.322 3.336 20 30 EGEDRM O=C([O-])COc1cccc(C(=O)/C=C\c2cnn(-c3ccccc3)c2)c1 ZINC000747113152 1298729726 /nfs/dbraw/zinc/72/97/26/1298729726.db2.gz UIJJKKGOWDJZIL-KTKRTIGZSA-N -1 0 348.358 3.232 20 30 EGEDRM CC(=NNc1ccc(C(=O)[O-])cc1)c1nnn(-c2ccccc2)c1C ZINC000747603958 1298808541 /nfs/dbraw/zinc/80/85/41/1298808541.db2.gz XVEJTMFCVBHVQH-UHFFFAOYSA-N -1 0 335.367 3.110 20 30 EGEDRM O=[N+]([O-])c1ccc(C=NNc2ccc(C(F)(F)F)cn2)cc1[O-] ZINC000748132711 1298933185 /nfs/dbraw/zinc/93/31/85/1298933185.db2.gz ZDRYHFWRFLENIO-UHFFFAOYSA-N -1 0 326.234 3.160 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)c2cc(OCc3ccccc3)ccn2)c1 ZINC000748410086 1299002708 /nfs/dbraw/zinc/00/27/08/1299002708.db2.gz AQKPGIAJHHASMN-UHFFFAOYSA-N -1 0 345.358 3.490 20 30 EGEDRM CCOC(=O)Nc1ccc(C(=O)Nc2cc(C#N)ccc2[O-])cc1 ZINC000748410048 1299003383 /nfs/dbraw/zinc/00/33/83/1299003383.db2.gz DQHPUNFOKBXHLA-UHFFFAOYSA-N -1 0 325.324 3.085 20 30 EGEDRM C[C@H](CC#N)Sc1ccccc1[N-]C(=S)NC[C@@H]1CCOC1 ZINC000749709753 1299259275 /nfs/dbraw/zinc/25/92/75/1299259275.db2.gz ZPICCCPTRFNDCA-OLZOCXBDSA-N -1 0 335.498 3.404 20 30 EGEDRM CCCCC[C@@H](/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-])C(=O)OC ZINC000751890373 1299645139 /nfs/dbraw/zinc/64/51/39/1299645139.db2.gz MSEDOWNNCVOVSJ-AXIYWZQUSA-N -1 0 342.779 3.495 20 30 EGEDRM O=C([N-]CCCON=C(c1ccccc1)C(F)(F)F)C(F)(F)F ZINC000751962265 1299667512 /nfs/dbraw/zinc/66/75/12/1299667512.db2.gz QDUGWHYMQRMCJV-UHFFFAOYSA-N -1 0 342.239 3.038 20 30 EGEDRM O=c1c2ccccc2[n-]c(=S)n1N=C[C@@H]1CCOc2ccccc21 ZINC000752161804 1299705272 /nfs/dbraw/zinc/70/52/72/1299705272.db2.gz VUMMWTAEJAKOAP-LBPRGKRZSA-N -1 0 337.404 3.085 20 30 EGEDRM COCCOc1ccc(C#N)cc1NC(=O)c1c([O-])cccc1Cl ZINC000753284405 1299909320 /nfs/dbraw/zinc/90/93/20/1299909320.db2.gz RAKDVVFOCXERJA-UHFFFAOYSA-N -1 0 346.770 3.195 20 30 EGEDRM Cc1ncoc1C([O-])=C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000755604889 1300365260 /nfs/dbraw/zinc/36/52/60/1300365260.db2.gz VAOUVQOVWOUISP-LLVKDONJSA-N -1 0 338.150 3.251 20 30 EGEDRM COc1cc(/C=C/C(=O)c2cc(F)cc(F)c2)ccc1OCC(=O)[O-] ZINC000755707396 1300383095 /nfs/dbraw/zinc/38/30/95/1300383095.db2.gz ZIHGFUCPYUGUAM-DUXPYHPUSA-N -1 0 348.301 3.333 20 30 EGEDRM O=[N+]([O-])c1ccc(CN=Nc2nc(C(F)(F)F)cs2)cc1[O-] ZINC000755905838 1300413651 /nfs/dbraw/zinc/41/36/51/1300413651.db2.gz VPCJIQGPPPKJOP-UHFFFAOYSA-N -1 0 332.263 3.222 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2cc(N(C)C)ccc2C#N)cc1Cl ZINC000756358248 1300474675 /nfs/dbraw/zinc/47/46/75/1300474675.db2.gz JORYOPGFNKGDDN-UHFFFAOYSA-N -1 0 349.843 3.387 20 30 EGEDRM O=C(/C=C\c1cc2c(cc1[N+](=O)[O-])OCCO2)c1cc(F)ccc1[O-] ZINC000757468830 1300673614 /nfs/dbraw/zinc/67/36/14/1300673614.db2.gz YHPMRBQLYVUZNJ-IWQZZHSRSA-N -1 0 345.282 3.107 20 30 EGEDRM Cc1ccc(C(=O)/C=C/c2cc3c(cc2[N+](=O)[O-])OCCO3)c([O-])c1 ZINC000757475820 1300675020 /nfs/dbraw/zinc/67/50/20/1300675020.db2.gz MOJFMNUTDFMKEE-HWKANZROSA-N -1 0 341.319 3.276 20 30 EGEDRM COc1ccc(C(=O)/C=C\c2cc(OC)c(O)c(OC)c2)c([O-])c1 ZINC000757473266 1300675566 /nfs/dbraw/zinc/67/55/66/1300675566.db2.gz UYVBXININWZZMS-DAXSKMNVSA-N -1 0 330.336 3.020 20 30 EGEDRM COc1ccc(OCCn2[n-]c(C(C)(C)C)c(CCC#N)c2=O)cc1 ZINC000758425622 1300880960 /nfs/dbraw/zinc/88/09/60/1300880960.db2.gz ZVXJKJKERKTHQF-UHFFFAOYSA-N -1 0 343.427 3.430 20 30 EGEDRM COC(=O)[C@H](C)Oc1ccc(/C=C\C(=O)c2ccc(F)cc2[O-])cc1 ZINC000758435037 1300884616 /nfs/dbraw/zinc/88/46/16/1300884616.db2.gz YTDRKWRCPNZRQF-JSJZCHLLSA-N -1 0 344.338 3.368 20 30 EGEDRM N#Cc1cc([N-]C(=O)c2ncc(F)cc2F)c(Cl)c([N+](=O)[O-])c1 ZINC000758810281 1300957384 /nfs/dbraw/zinc/95/73/84/1300957384.db2.gz XFHWZDAQTDHSKC-UHFFFAOYSA-N -1 0 338.657 3.045 20 30 EGEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)C[C@H]1C=CCC1 ZINC000759233876 1301046237 /nfs/dbraw/zinc/04/62/37/1301046237.db2.gz BXEHUOUVYHIAJF-KBPBESRZSA-N -1 0 342.395 3.056 20 30 EGEDRM CCCC(C)=CC(=O)C(C#N)=C([O-])c1c(C)[nH]c(C)c1C(=O)OCC ZINC000759240782 1301047671 /nfs/dbraw/zinc/04/76/71/1301047671.db2.gz UARDBXXSACLVRY-FPAJZGIOSA-N -1 0 344.411 3.446 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2c(Cl)oc3ccccc32)C(=O)O1 ZINC000761199519 1301418763 /nfs/dbraw/zinc/41/87/63/1301418763.db2.gz FUQLLTISYIVNLV-XHPSBEMXSA-N -1 0 330.723 3.314 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2cccc(C(C)C)n2)n1 ZINC000762047367 1301599485 /nfs/dbraw/zinc/59/94/85/1301599485.db2.gz VEQGOMGGHHGSSN-GFCCVEGCSA-N -1 0 343.408 3.003 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl ZINC000762048038 1301600917 /nfs/dbraw/zinc/60/09/17/1301600917.db2.gz IQGUIRFIKLXULB-UTCJRWHESA-N -1 0 347.720 3.471 20 30 EGEDRM COc1cccc(NC(=S)NN=C(C)c2cccc(C(=O)[O-])c2)c1 ZINC000764665080 1302114639 /nfs/dbraw/zinc/11/46/39/1302114639.db2.gz HSVRDQHBZNNPIO-UHFFFAOYSA-N -1 0 343.408 3.104 20 30 EGEDRM Cc1nn2c(C=NNc3ccc(C(=O)[O-])cc3)c(C(C)C)nc2s1 ZINC000766678281 1302499104 /nfs/dbraw/zinc/49/91/04/1302499104.db2.gz OFWKMYURAPLNPW-UHFFFAOYSA-N -1 0 343.412 3.367 20 30 EGEDRM CCOc1cc(C=NN2CCc3ccccc3C2=O)cc(Cl)c1O ZINC000769597727 1303144773 /nfs/dbraw/zinc/14/47/73/1303144773.db2.gz NPUDQAKKIOZJEU-UHFFFAOYSA-N -1 0 344.798 3.477 20 30 EGEDRM Cn1cc(/C=C\C(=O)c2cc([N+](=O)[O-])ccc2[O-])c(C(C)(C)C)n1 ZINC000769613755 1303148068 /nfs/dbraw/zinc/14/80/68/1303148068.db2.gz CIGROAMRZXBJHQ-ALCCZGGFSA-N -1 0 329.356 3.228 20 30 EGEDRM O=C([O-])c1ccc(NN=Cc2cc(O)ccc2Br)cc1 ZINC000769795772 1303176048 /nfs/dbraw/zinc/17/60/48/1303176048.db2.gz QXZLYSXZGUJQFR-UHFFFAOYSA-N -1 0 335.157 3.299 20 30 EGEDRM O=C(/C=C/c1cc([O-])ccc1[N+](=O)[O-])c1cnn(-c2ccccc2)c1 ZINC000772803981 1303579213 /nfs/dbraw/zinc/57/92/13/1303579213.db2.gz ATKKCFOROKGEMM-RMKNXTFCSA-N -1 0 335.319 3.382 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2cnc(C(C)C)s2)n1 ZINC000773191597 1303639823 /nfs/dbraw/zinc/63/98/23/1303639823.db2.gz DFFKQTYCPQQFFI-SNVBAGLBSA-N -1 0 349.437 3.065 20 30 EGEDRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)C=Cc1ccccc1C#N ZINC000773317486 1303661994 /nfs/dbraw/zinc/66/19/94/1303661994.db2.gz QTNONZKEFWYHLG-CMDGGOBGSA-N -1 0 345.362 3.009 20 30 EGEDRM C#C[C@H](C)/N=C\c1cc(Br)cc(Br)c1[O-] ZINC000773905250 1303752356 /nfs/dbraw/zinc/75/23/56/1303752356.db2.gz KDZSDSHXYBUPRK-LCMBMATOSA-N -1 0 331.007 3.358 20 30 EGEDRM C#C[C@@H](C)NC(=O)c1ccsc1NC(=O)c1ccc(Cl)cc1[O-] ZINC000775380908 1303950957 /nfs/dbraw/zinc/95/09/57/1303950957.db2.gz BPILFSQSSVZPGC-SECBINFHSA-N -1 0 348.811 3.111 20 30 EGEDRM CCc1cnccc1C(=O)/C=C\c1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000776192356 1304110259 /nfs/dbraw/zinc/11/02/59/1304110259.db2.gz PCOTYCVLNDNZQN-WSROAFLRSA-N -1 0 325.364 3.392 20 30 EGEDRM N#Cc1ccc(C(=O)/C=C/c2cccc(OCCC(=O)[O-])c2)cc1F ZINC000776726812 1304187953 /nfs/dbraw/zinc/18/79/53/1304187953.db2.gz NZVYPJQIDGTGIL-QPJJXVBHSA-N -1 0 339.322 3.447 20 30 EGEDRM CC[C@@H](CC(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1)c1ccccc1 ZINC000779316163 1304554993 /nfs/dbraw/zinc/55/49/93/1304554993.db2.gz ODAHHUZPQOEIQN-HNNXBMFYSA-N -1 0 348.468 3.100 20 30 EGEDRM COCCOc1ccc(C(=O)/C=C\c2ccc(O)c(C(=O)[O-])c2)cc1 ZINC000779358579 1304560814 /nfs/dbraw/zinc/56/08/14/1304560814.db2.gz JIARGVMQZGRYLH-WAPJZHGLSA-N -1 0 342.347 3.012 20 30 EGEDRM C#CCOc1cc(F)ccc1NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000781093792 1304770791 /nfs/dbraw/zinc/77/07/91/1304770791.db2.gz OIXXURMBDXPQBX-UHFFFAOYSA-N -1 0 339.244 3.213 20 30 EGEDRM C=C[C@@H]1CCCCN1S(=O)(=O)c1cc(C)c(Cl)c(C(=O)[O-])c1 ZINC000781957780 1304896314 /nfs/dbraw/zinc/89/63/14/1304896314.db2.gz HURXTGAFQGDCAV-LLVKDONJSA-N -1 0 343.832 3.076 20 30 EGEDRM COc1cc(/C=C/C(=O)c2ccnc(Cl)c2)ccc1OCC(=O)[O-] ZINC000782194776 1304928187 /nfs/dbraw/zinc/92/81/87/1304928187.db2.gz QXQCJQFOOJCENB-DUXPYHPUSA-N -1 0 347.754 3.103 20 30 EGEDRM O=C([O-])c1csc(/C=C2\COc3c(cc(F)cc3[N+](=O)[O-])C2=O)c1 ZINC000782205952 1304931235 /nfs/dbraw/zinc/93/12/35/1304931235.db2.gz FMCATYJRPLMIBL-LREOWRDNSA-N -1 0 349.295 3.152 20 30 EGEDRM O=c1c2ccccc2[n-]c(=S)n1N=Cc1ccc(Cl)cc1F ZINC000783514278 1305101789 /nfs/dbraw/zinc/10/17/89/1305101789.db2.gz LVLVXAGWBPGDQX-UHFFFAOYSA-N -1 0 333.775 3.360 20 30 EGEDRM Cc1cc(=O)[n-]c(N=NC2CCCCC[C@@H]2NC(=O)OC(C)(C)C)n1 ZINC000783771980 1305143936 /nfs/dbraw/zinc/14/39/36/1305143936.db2.gz OPLAIQOCKKMFPQ-LBPRGKRZSA-N -1 0 349.435 3.116 20 30 EGEDRM C=CC(C)(C)CC(=O)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000892399880 1305352154 /nfs/dbraw/zinc/35/21/54/1305352154.db2.gz LESCDTYRKRBKTK-UHFFFAOYSA-N -1 0 336.240 3.401 20 30 EGEDRM C=C1CCC(C(=O)[N-]S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000892421348 1305363889 /nfs/dbraw/zinc/36/38/89/1305363889.db2.gz AWSNOXBAOKWZLS-UHFFFAOYSA-N -1 0 347.358 3.257 20 30 EGEDRM C#CCN(C(=O)c1nn(-c2cccc(F)c2)cc1[O-])C1CCCCC1 ZINC000786003610 1305489643 /nfs/dbraw/zinc/48/96/43/1305489643.db2.gz ABTUYXJOJWFXDA-UHFFFAOYSA-N -1 0 341.386 3.125 20 30 EGEDRM CCc1ccc(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)s1 ZINC000786549493 1305595066 /nfs/dbraw/zinc/59/50/66/1305595066.db2.gz REJGWSGZTPACRB-HNNXBMFYSA-N -1 0 326.421 3.258 20 30 EGEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2ccc3c(c2)CCC3)c1 ZINC000786549069 1305595504 /nfs/dbraw/zinc/59/55/04/1305595504.db2.gz FHWCUEGTQATKOV-IBGZPJMESA-N -1 0 332.403 3.123 20 30 EGEDRM CCc1ccc(C([O-])=C(C#N)C(=O)NCc2ccc(F)c(F)c2)s1 ZINC000786572297 1305602914 /nfs/dbraw/zinc/60/29/14/1305602914.db2.gz XBUINMLROMEMDO-LBPRGKRZSA-N -1 0 348.374 3.228 20 30 EGEDRM C=C[C@H](CC(=O)[N-]S(=O)(=O)c1ccccc1CC)c1ccccc1 ZINC000786655885 1305615741 /nfs/dbraw/zinc/61/57/41/1305615741.db2.gz RXWJKCNOGXIUAG-MRXNPFEDSA-N -1 0 343.448 3.414 20 30 EGEDRM N#CCCn1cc(/C=C\C(=O)c2ccccc2[O-])c(-c2ccncc2)n1 ZINC000788354662 1305927042 /nfs/dbraw/zinc/92/70/42/1305927042.db2.gz GPJNKWYNMUAHOL-SREVYHEPSA-N -1 0 344.374 3.460 20 30 EGEDRM Cc1nn(C)c(/C=C\C(=O)c2ccc(C)cc2[O-])c1Br ZINC000790599608 1306357347 /nfs/dbraw/zinc/35/73/47/1306357347.db2.gz ABVGVTOSMJMLPG-SREVYHEPSA-N -1 0 335.201 3.401 20 30 EGEDRM CCCCCCC[C@@H](CC(=O)[O-])NS(=O)(=O)c1cccs1 ZINC000792564497 1309189223 /nfs/dbraw/zinc/18/92/23/1309189223.db2.gz WYOKINJXHLXLHH-LBPRGKRZSA-N -1 0 333.475 3.230 20 30 EGEDRM CN(C)C(=O)c1ccc(C(=O)/C=C\c2cc(C(=O)[O-])cs2)cc1 ZINC000792927539 1309261934 /nfs/dbraw/zinc/26/19/34/1309261934.db2.gz WTNSDDQBOVPURW-FPLPWBNLSA-N -1 0 329.377 3.044 20 30 EGEDRM CC[C@H](NN=Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)[O-] ZINC000793054136 1309287873 /nfs/dbraw/zinc/28/78/73/1309287873.db2.gz CPXPHRUXORLUTC-AWEZNQCLSA-N -1 0 348.424 3.122 20 30 EGEDRM COc1ccc(NN=Cc2cc(C(=O)[O-])c(C)[nH]2)c(C(F)(F)F)c1 ZINC000793098412 1309296024 /nfs/dbraw/zinc/29/60/24/1309296024.db2.gz MYKLMPKIYKQANT-UHFFFAOYSA-N -1 0 341.289 3.495 20 30 EGEDRM CC(C)c1ccc([C@H](C)CC(=O)[N-]S(=O)(=O)CC2(C#N)CC2)cc1 ZINC000793201348 1309315884 /nfs/dbraw/zinc/31/58/84/1309315884.db2.gz LGSWEUIRQXKLJD-CQSZACIVSA-N -1 0 348.468 3.053 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])c(/C=N\[C@H]2CCN(c3ccccc3F)C2)c1 ZINC000793666498 1309425534 /nfs/dbraw/zinc/42/55/34/1309425534.db2.gz FSCOVZXSXLNDDC-GJUHEBOISA-N -1 0 329.331 3.137 20 30 EGEDRM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1ccc(C#N)o1 ZINC000796750076 1310079348 /nfs/dbraw/zinc/07/93/48/1310079348.db2.gz ZXEUSUJWCRLKTD-OAHLLOKOSA-N -1 0 335.363 3.237 20 30 EGEDRM C=CCC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000797077538 1310136020 /nfs/dbraw/zinc/13/60/20/1310136020.db2.gz OYSLJUVQTPSYHA-UHFFFAOYSA-N -1 0 336.240 3.401 20 30 EGEDRM C=CCS(=O)(=O)[N-]C(=O)[C@@H]1CC12CCC(C(C)(C)CC)CC2 ZINC000797186026 1310154352 /nfs/dbraw/zinc/15/43/52/1310154352.db2.gz ZIAWRYFWMUECCS-UUCFBXCCSA-N -1 0 327.490 3.251 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)Nc1ccc(-c2csc(C)n2)cc1 ZINC000797735939 1310239524 /nfs/dbraw/zinc/23/95/24/1310239524.db2.gz ZWUFMYJFKJGVAS-UHFFFAOYSA-N -1 0 331.397 3.223 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC000797741227 1310240539 /nfs/dbraw/zinc/24/05/39/1310240539.db2.gz ZXKMZNKKSNXJIG-UHFFFAOYSA-N -1 0 337.807 3.045 20 30 EGEDRM COc1cc(/C=C2\CCc3oc(C(=O)[O-])c(C)c3C2=O)ccc1C#N ZINC000799496055 1310562168 /nfs/dbraw/zinc/56/21/68/1310562168.db2.gz WWUBUWZOILLQSC-KPKJPENVSA-N -1 0 337.331 3.379 20 30 EGEDRM Cn1nc(C/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1C1CC1 ZINC000899227243 1310986849 /nfs/dbraw/zinc/98/68/49/1310986849.db2.gz HSNPZLOEEXWLRK-IDUWFGFVSA-N -1 0 334.763 3.184 20 30 EGEDRM O=C([O-])c1coc2c1C(=O)/C(=C\c1cnn(CC3CCC3)c1)CC2 ZINC000899378992 1317010072 /nfs/dbraw/zinc/01/00/72/1317010072.db2.gz FJSGZEVYZNUEOK-MLPAPPSSSA-N -1 0 326.352 3.187 20 30 EGEDRM C=CCN(Cc1cccs1)C(=O)[C@H]1[C@H]2C=C[C@H](C2)[C@@]1(C)C(=O)[O-] ZINC000899796183 1317162295 /nfs/dbraw/zinc/16/22/95/1317162295.db2.gz IZFCELWCCGRRPQ-YRWGSWDYSA-N -1 0 331.437 3.176 20 30 EGEDRM C=CCCCCCCNC(=O)CC1(C(=O)[O-])Cc2ccccc2C1 ZINC000804599202 1317265295 /nfs/dbraw/zinc/26/52/95/1317265295.db2.gz KGNLZAYTWVHGIA-UHFFFAOYSA-N -1 0 329.440 3.499 20 30 EGEDRM CCn1cncc1/C=C\C(=O)c1ccc(OCCCC(=O)[O-])cc1 ZINC000901426802 1317424093 /nfs/dbraw/zinc/42/40/93/1317424093.db2.gz RGAPKGXXGYPYCG-YFHOEESVSA-N -1 0 328.368 3.043 20 30 EGEDRM CCn1nc(C)c(C(=O)/C=C/c2ccccc2OCCC(=O)[O-])c1C ZINC000901463939 1317430309 /nfs/dbraw/zinc/43/03/09/1317430309.db2.gz CNOKGOPVLPEDTB-MDZDMXLPSA-N -1 0 342.395 3.269 20 30 EGEDRM CC(C)c1ccc2occ(C([O-])=C(C#N)C(=O)c3nccn3C)c2c1 ZINC000805898267 1317436444 /nfs/dbraw/zinc/43/64/44/1317436444.db2.gz FUWIPTJUEVWDAZ-CQSZACIVSA-N -1 0 335.363 3.495 20 30 EGEDRM COc1cc(OC)c(OC)cc1/C=C\C(=O)c1cccc(C(=O)[O-])c1 ZINC000806559171 1317501044 /nfs/dbraw/zinc/50/10/44/1317501044.db2.gz VSZOBURMMCZUPE-FPLPWBNLSA-N -1 0 342.347 3.307 20 30 EGEDRM Cn1cnc2cc(/C=C3\C[C@@H](C(=O)[O-])c4ccccc4C3=O)ccc21 ZINC000806560841 1317501316 /nfs/dbraw/zinc/50/13/16/1317501316.db2.gz PCFFYMCOTWXCCS-WDBUWWRISA-N -1 0 332.359 3.412 20 30 EGEDRM O=C([O-])[C@@H]1C/C(=C\c2ccc3c(c2)OCCO3)C(=O)c2ccccc21 ZINC000806561026 1317501547 /nfs/dbraw/zinc/50/15/47/1317501547.db2.gz QSOUKWAQIZULME-LRFDDAOPSA-N -1 0 336.343 3.296 20 30 EGEDRM O=C([O-])[C@H]1C/C(=C/c2cn(-c3ccccc3)nn2)C(=O)c2ccccc21 ZINC000806562805 1317501751 /nfs/dbraw/zinc/50/17/51/1317501751.db2.gz PGGZJAKJNBQPDZ-GFBZKKKVSA-N -1 0 345.358 3.106 20 30 EGEDRM O=C([O-])[C@H]1C/C(=C/c2cccc3c2OCCO3)C(=O)c2ccccc21 ZINC000806561424 1317501760 /nfs/dbraw/zinc/50/17/60/1317501760.db2.gz VHYXAASSVPOZSV-DDKJEQMHSA-N -1 0 336.343 3.296 20 30 EGEDRM Cc1ccccc1-n1cc(/C=C/C(=O)c2cc(F)cc(F)c2[O-])nn1 ZINC000806573435 1317504041 /nfs/dbraw/zinc/50/40/41/1317504041.db2.gz IXEGSIUIECKXQA-VOTSOKGWSA-N -1 0 341.317 3.456 20 30 EGEDRM N#Cc1ccc(F)c(CNC(=O)CC2(CC(=O)[O-])CCCCC2)c1 ZINC000905127511 1317926307 /nfs/dbraw/zinc/92/63/07/1317926307.db2.gz AYHVYQFHDMSWML-UHFFFAOYSA-N -1 0 332.375 3.129 20 30 EGEDRM N#Cc1ccc(F)c(CNC(=O)CC2(C(=O)[O-])CCCCCC2)c1 ZINC000905129377 1317926619 /nfs/dbraw/zinc/92/66/19/1317926619.db2.gz RNIUPEIENMQCBI-UHFFFAOYSA-N -1 0 332.375 3.129 20 30 EGEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1ccc(C2CCCC2)cc1 ZINC000810527364 1318018330 /nfs/dbraw/zinc/01/83/30/1318018330.db2.gz KUDUMOWMDQTASM-GOSISDBHSA-N -1 0 342.439 3.209 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2cc3c(cccc3F)s2)CC1 ZINC000810985346 1318086756 /nfs/dbraw/zinc/08/67/56/1318086756.db2.gz IQTTYOVKIADRIC-UHFFFAOYSA-N -1 0 339.413 3.209 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)CCCCc2ccc(C)cc2)CC1 ZINC000810985865 1318086829 /nfs/dbraw/zinc/08/68/29/1318086829.db2.gz JYSDSKYZQPVCGP-UHFFFAOYSA-N -1 0 335.469 3.263 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)/C=C(\C)c2ccccc2Cl)CC1 ZINC000810987087 1318087800 /nfs/dbraw/zinc/08/78/00/1318087800.db2.gz XVKRKUDLIHIJSH-VAWYXSNFSA-N -1 0 339.844 3.298 20 30 EGEDRM O=C([O-])c1ccc2c(c1)CCCCC2N=Nc1cncc(Cl)n1 ZINC000811638268 1318216306 /nfs/dbraw/zinc/21/63/06/1318216306.db2.gz LTFFQDBSBHGWNH-UHFFFAOYSA-N -1 0 330.775 3.371 20 30 EGEDRM O=C([O-])c1ccc(N=NC(C[C@@H]2CCCO2)c2ccc(F)cc2)nc1 ZINC000811645966 1318218381 /nfs/dbraw/zinc/21/83/81/1318218381.db2.gz GNEAJGRDLFJIRS-HNNXBMFYSA-N -1 0 343.358 3.304 20 30 EGEDRM CC(=NNC[C@H]1CCSC1)c1cc(Br)c(F)cc1[O-] ZINC000811660744 1318222279 /nfs/dbraw/zinc/22/22/79/1318222279.db2.gz UBSGTSRMXSODMZ-SECBINFHSA-N -1 0 347.253 3.361 20 30 EGEDRM C=C[C@H](CC)CC(=O)Nc1cccc(-n2ncc(C(=O)[O-])c2C)c1 ZINC000907647638 1318244678 /nfs/dbraw/zinc/24/46/78/1318244678.db2.gz RIKGNFKDZHFKEN-CYBMUJFWSA-N -1 0 327.384 3.420 20 30 EGEDRM CCOc1c(C=NNc2ccc(C(=O)[O-])cc2)c(C)nn1CC(C)C ZINC000812368854 1318377532 /nfs/dbraw/zinc/37/75/32/1318377532.db2.gz BUDRZEHWGYLURN-UHFFFAOYSA-N -1 0 344.415 3.390 20 30 EGEDRM COC[C@H](C)[C@@H](C)C(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21 ZINC000813058481 1318492530 /nfs/dbraw/zinc/49/25/30/1318492530.db2.gz YGOXUOOTLOWSPI-ZOWXZIJZSA-N -1 0 326.396 3.287 20 30 EGEDRM C=CCC[C@H](NC(=O)[C@H](C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000909714454 1318518329 /nfs/dbraw/zinc/51/83/29/1318518329.db2.gz XBMHNJLJWBOBSJ-MFKMUULPSA-N -1 0 329.318 3.345 20 30 EGEDRM C=CC[C@@H](C(=O)N1CC[C@](C(=O)[O-])(C(F)(F)F)C1)c1ccccc1 ZINC000909766050 1318523383 /nfs/dbraw/zinc/52/33/83/1318523383.db2.gz XQRREYNKSXVLBD-CJNGLKHVSA-N -1 0 341.329 3.212 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)C2(c3cccc(Cl)c3)CC(=O)C2)c1 ZINC000813500296 1318581235 /nfs/dbraw/zinc/58/12/35/1318581235.db2.gz BPBDODIABODOQC-UHFFFAOYSA-N -1 0 340.766 3.157 20 30 EGEDRM CCOc1ccc(NC(=S)NN=C2CC[C@@H](CC(=O)[O-])[C@H]2C)cc1 ZINC000814717831 1318804875 /nfs/dbraw/zinc/80/48/75/1318804875.db2.gz UMDHVYMXRIXDHB-NEPJUHHUSA-N -1 0 349.456 3.249 20 30 EGEDRM CCCCCNC(=S)NN=C1CC[C@H](C(=O)[O-])C(C)(C)[C@H]1C ZINC000814763464 1318811986 /nfs/dbraw/zinc/81/19/86/1318811986.db2.gz DPRCQKGGDQBZKI-NWDGAFQWSA-N -1 0 327.494 3.154 20 30 EGEDRM CS(=O)(=O)c1ccc(NN=Cc2cc(Cl)c(F)cc2O)cc1 ZINC000814802364 1318820246 /nfs/dbraw/zinc/82/02/46/1318820246.db2.gz DMNHGWSHCYBVEE-UHFFFAOYSA-N -1 0 342.779 3.034 20 30 EGEDRM Cc1ccc(F)c(NC(=S)NN=C2CC[C@@H](C(=O)[O-])C[C@@H]2C)c1 ZINC000814820339 1318824094 /nfs/dbraw/zinc/82/40/94/1318824094.db2.gz YYNBFNRJJDTTFI-WDEREUQCSA-N -1 0 337.420 3.297 20 30 EGEDRM CC1CC(N=Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)C1 ZINC000814863268 1318832585 /nfs/dbraw/zinc/83/25/85/1318832585.db2.gz HPUURLOWNSKMSD-UHFFFAOYSA-N -1 0 336.442 3.142 20 30 EGEDRM CCN(CC)c1ccnc(N=NC2CC[C@H](C(=O)[O-])C(C)(C)[C@H]2C)n1 ZINC000814872448 1318835812 /nfs/dbraw/zinc/83/58/12/1318835812.db2.gz XEAOWKNMULIWLU-QWHCGFSZSA-N -1 0 347.463 3.248 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1NN=C1COc2ccc(Cl)cc21 ZINC000814887008 1318839487 /nfs/dbraw/zinc/83/94/87/1318839487.db2.gz MJDWSNWSFQXGDO-UHFFFAOYSA-N -1 0 332.743 3.255 20 30 EGEDRM CCc1cc(Br)ccc1NN=Cc1c[nH]c(C(=O)[O-])c1 ZINC000814902014 1318844797 /nfs/dbraw/zinc/84/47/97/1318844797.db2.gz ZWRAUBMVOSJRKC-UHFFFAOYSA-N -1 0 336.189 3.484 20 30 EGEDRM CC(=NOC1CCC1)c1cc(Br)ccc1OCC(=O)[O-] ZINC000814936312 1318854331 /nfs/dbraw/zinc/85/43/31/1318854331.db2.gz KLRKJMYRHKAWQM-UHFFFAOYSA-N -1 0 342.189 3.206 20 30 EGEDRM N#CC1([N-]C(=O)C(F)(F)c2cc(Cl)ccc2Cl)CCOCC1 ZINC000817440350 1319362301 /nfs/dbraw/zinc/36/23/01/1319362301.db2.gz ZJAKYSYNEREDQY-UHFFFAOYSA-N -1 0 349.164 3.274 20 30 EGEDRM Cc1cccc(NC(=S)NN=Cc2ccc([O-])c([N+](=O)[O-])c2)c1C ZINC000915912464 1319560283 /nfs/dbraw/zinc/56/02/83/1319560283.db2.gz UEBMTOTXTSPDNH-UHFFFAOYSA-N -1 0 344.396 3.238 20 30 EGEDRM Cc1ccc(NC(=S)NN=Cc2ccccc2C(=O)[O-])cc1C ZINC000915918955 1319560581 /nfs/dbraw/zinc/56/05/81/1319560581.db2.gz FRCLQWZCCYHDSA-UHFFFAOYSA-N -1 0 327.409 3.322 20 30 EGEDRM Cc1c(C(=O)[O-])oc2c1C(=NNc1cccc([N+](=O)[O-])c1)CCC2 ZINC000915934725 1319564996 /nfs/dbraw/zinc/56/49/96/1319564996.db2.gz KCJQYJLIKQJWMR-UHFFFAOYSA-N -1 0 329.312 3.347 20 30 EGEDRM C#CCOc1ccccc1C=NNc1ccc(Cl)c(C(=O)[O-])c1 ZINC000916259874 1319626637 /nfs/dbraw/zinc/62/66/37/1319626637.db2.gz TYEKHVZZFBIMFW-UHFFFAOYSA-N -1 0 328.755 3.496 20 30 EGEDRM Cc1nnc(NN=Cc2csc(-c3ccc(Cl)cc3)n2)[n-]c1=O ZINC000916282579 1319631860 /nfs/dbraw/zinc/63/18/60/1319631860.db2.gz IRDFDOAHAWXZKW-UHFFFAOYSA-N -1 0 346.803 3.109 20 30 EGEDRM CC(=NNc1nnc(C)c(=O)[n-]1)c1ccc(OCCC(C)C)cc1 ZINC000916284031 1319633139 /nfs/dbraw/zinc/63/31/39/1319633139.db2.gz HXCJFYIJWFENEH-UHFFFAOYSA-N -1 0 329.404 3.147 20 30 EGEDRM COc1ccc(C(=O)/C=C\c2ccc(N(C)C)cc2)cc1CC(=O)[O-] ZINC000916546756 1319669384 /nfs/dbraw/zinc/66/93/84/1319669384.db2.gz AMQCNUQLIUSLRC-POHAHGRESA-N -1 0 339.391 3.284 20 30 EGEDRM C=C(C)COC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000916603354 1319682234 /nfs/dbraw/zinc/68/22/34/1319682234.db2.gz MNKSUJDRRZVEIZ-UHFFFAOYSA-N -1 0 326.274 3.330 20 30 EGEDRM CC(=NN[C@@H](C)c1ccncc1)c1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000819819419 1319790942 /nfs/dbraw/zinc/79/09/42/1319790942.db2.gz ZFSKGQHRIMVLSH-JSGCOSHPSA-N -1 0 327.384 3.008 20 30 EGEDRM CN(C)C(=O)c1cccc(N=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])c1 ZINC000819840185 1319791256 /nfs/dbraw/zinc/79/12/56/1319791256.db2.gz FQKAFSUDGYZLBW-UHFFFAOYSA-N -1 0 347.758 3.406 20 30 EGEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)[C@@H]1CC=CCC1 ZINC000917505349 1319823315 /nfs/dbraw/zinc/82/33/15/1319823315.db2.gz MVLVNEKITIDXAT-ZIAGYGMSSA-N -1 0 342.395 3.056 20 30 EGEDRM FC(F)(F)c1n[n-]c(=S)n1N=Cc1ccc(N2CCCCC2)o1 ZINC000917571820 1319840585 /nfs/dbraw/zinc/84/05/85/1319840585.db2.gz MOHQMPJVBJGANV-UHFFFAOYSA-N -1 0 345.350 3.051 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])c(/C=N/[C@@H]2CCO[C@@H](c3ccncc3)C2)c1 ZINC000840708946 1321132441 /nfs/dbraw/zinc/13/24/41/1321132441.db2.gz JURRVROOOBFVDF-BNJKVKLMSA-N -1 0 327.340 3.035 20 30 EGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)C[C@@H](C)c1cnn(C)c1 ZINC000842281347 1321367319 /nfs/dbraw/zinc/36/73/19/1321367319.db2.gz IEXKNPDVZWLXOW-MLGOLLRUSA-N -1 0 348.406 3.295 20 30 EGEDRM C=C[C@H](C)O[N-]C(=O)CSc1nc(C)nc2sc(C)c(C)c21 ZINC000846542222 1321791581 /nfs/dbraw/zinc/79/15/81/1321791581.db2.gz XAUQSNVOBQVCTC-QMMMGPOBSA-N -1 0 337.470 3.331 20 30 EGEDRM C=C(C)CO[N-]C(=O)c1nn(CCCCCC)c(=O)c2ccccc21 ZINC000846541407 1321791625 /nfs/dbraw/zinc/79/16/25/1321791625.db2.gz WCMUUSQTFQMRCF-UHFFFAOYSA-N -1 0 343.427 3.214 20 30 EGEDRM C=C(C)CO[N-]C(=O)[C@H](C)Oc1ccc(C)cc1Br ZINC000846538362 1321791796 /nfs/dbraw/zinc/79/17/96/1321791796.db2.gz PRZQDKNBSWSUSK-NSHDSACASA-N -1 0 328.206 3.149 20 30 EGEDRM CC(=NNc1ccc(CC(=O)[O-])cc1)c1ccc(C(C)(C)O)cc1 ZINC000848413717 1321957756 /nfs/dbraw/zinc/95/77/56/1321957756.db2.gz CMPKWEGADSDZSF-UHFFFAOYSA-N -1 0 326.396 3.377 20 30 EGEDRM CCOC(=O)[C@H]1CCC(N=Nc2ccc(CC(=O)[O-])cc2)C[C@H]1C ZINC000848415971 1321958560 /nfs/dbraw/zinc/95/85/60/1321958560.db2.gz URVROGGDVUCGHS-WBMJQRKESA-N -1 0 332.400 3.081 20 30 EGEDRM CCOC(=O)[C@H]1CCC(N=Nc2ccc(CC(=O)[O-])cc2)C[C@@H]1C ZINC000848415969 1321958687 /nfs/dbraw/zinc/95/86/87/1321958687.db2.gz URVROGGDVUCGHS-LRDDRELGSA-N -1 0 332.400 3.081 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2cccc(C3CC3)c2)n1 ZINC000848840054 1322022191 /nfs/dbraw/zinc/02/21/91/1322022191.db2.gz LZHLZFPUXVBQOG-OAHLLOKOSA-N -1 0 340.404 3.362 20 30 EGEDRM CCCCCCCOC(=O)c1cc(F)ccc1[N-]S(C)(=O)=O ZINC000919095333 1322028277 /nfs/dbraw/zinc/02/82/77/1322028277.db2.gz KCOFVYLVAZQNIA-UHFFFAOYSA-N -1 0 331.409 3.324 20 30 EGEDRM C[C@@H](Oc1cccc(C(=O)/C=C/c2ccnn2CC2CC2)c1)C(=O)[O-] ZINC000849245131 1322100704 /nfs/dbraw/zinc/10/07/04/1322100704.db2.gz DRQUATDXMHASOG-SBDDDAINSA-N -1 0 340.379 3.041 20 30 EGEDRM C[C@@H](Oc1cccc(C(=O)/C=C\c2ccnn2CC2CC2)c1)C(=O)[O-] ZINC000849245130 1322100718 /nfs/dbraw/zinc/10/07/18/1322100718.db2.gz DRQUATDXMHASOG-MEJMFZKBSA-N -1 0 340.379 3.041 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])C2(C(=O)OC(C)(C)C)CC=CC2)n1 ZINC000850736733 1322280732 /nfs/dbraw/zinc/28/07/32/1322280732.db2.gz MLEGAOSOTBSPFD-LBPRGKRZSA-N -1 0 332.425 3.306 20 30 EGEDRM N#C[C@]1(C(=O)Nc2ccc3c(ccn3CC(=O)[O-])c2)CC12CCCC2 ZINC000923056704 1322684698 /nfs/dbraw/zinc/68/46/98/1322684698.db2.gz LPRIMPZOPCDCCE-IBGZPJMESA-N -1 0 337.379 3.138 20 30 EGEDRM CCC(C#N)(CC)C(=O)[N-]S(=O)(=O)[C@@H](c1ccccc1)C(C)C ZINC000860789368 1329355624 /nfs/dbraw/zinc/35/56/24/1329355624.db2.gz BVZPVDVYILGHJC-OAHLLOKOSA-N -1 0 336.457 3.160 20 30 EGEDRM CC1(C)[C@@]2(C)CC[C@]1(C([O-])=C(C#N)c1nc(C3CC3)cs1)OC2=O ZINC000860844559 1329361770 /nfs/dbraw/zinc/36/17/70/1329361770.db2.gz NLAUOYCVPCZMMU-CNOZUTPLSA-N -1 0 344.436 3.319 20 30 EGEDRM C=CCC[C@@H](NC(=O)N[C@H](C)c1nc2ccccc2s1)C(=O)[O-] ZINC000929028285 1328491453 /nfs/dbraw/zinc/49/14/53/1328491453.db2.gz HJBYPEOOMLSCGB-ZYHUDNBSSA-N -1 0 333.413 3.076 20 30 EGEDRM C#CC[C@@H](NC(=O)N(C)C1(C(=O)[O-])CCCCC1)c1ccccc1 ZINC000929033633 1328493332 /nfs/dbraw/zinc/49/33/32/1328493332.db2.gz MTEGETDYXFCZJU-MRXNPFEDSA-N -1 0 328.412 3.180 20 30 EGEDRM N#Cc1cc(Br)cc(Nc2cnc(F)c(C(=O)[O-])c2)c1 ZINC001215111382 1373171366 /nfs/dbraw/zinc/17/13/66/1373171366.db2.gz OTJAFHUOOTZZOL-UHFFFAOYSA-N -1 0 336.120 3.297 20 30 EGEDRM N#Cc1cc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c([O-])cc1F ZINC001183484502 1387312477 /nfs/dbraw/zinc/31/24/77/1387312477.db2.gz BUZBDAQJIQPTMJ-WDEREUQCSA-N -1 0 332.281 3.423 20 30 EGEDRM Cc1ccc([C@]2(C)CN(C(=O)CCC(=O)C3=CC=C[CH]3)CCO2)cc1 ZINC001184243947 1387418744 /nfs/dbraw/zinc/41/87/44/1387418744.db2.gz NTJZDEBEEHTZHZ-NRFANRHFSA-N -1 0 338.427 3.119 20 30 EGEDRM O=C(CCC(=O)N1CCC(C#Cc2ccccc2)CC1)C1=CC=C[CH]1 ZINC001184243327 1387418791 /nfs/dbraw/zinc/41/87/91/1387418791.db2.gz IIMXBKAPDAJSOE-UHFFFAOYSA-N -1 0 332.423 3.326 20 30 EGEDRM CCCC[C@@](CC)(NC(=O)CCC(=O)C1=CC=C[CH]1)C(=O)OCC ZINC001184246779 1387419269 /nfs/dbraw/zinc/41/92/69/1387419269.db2.gz ZVSJJIICSIWIJI-LJQANCHMSA-N -1 0 334.436 3.054 20 30 EGEDRM CCCC[C@](CC)(NC(=O)CCC(=O)C1=CC=C[CH]1)C(=O)OCC ZINC001184246778 1387419290 /nfs/dbraw/zinc/41/92/90/1387419290.db2.gz ZVSJJIICSIWIJI-IBGZPJMESA-N -1 0 334.436 3.054 20 30 EGEDRM Cc1cc(C#N)c([N-]S(=O)(=O)c2cccnc2Cl)cc1Cl ZINC001184880236 1387553593 /nfs/dbraw/zinc/55/35/93/1387553593.db2.gz KTHAPZCZQGFTIR-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM N#Cc1c(F)ccc(F)c1[N-]S(=O)(=O)Cc1cc(F)cc(F)c1 ZINC001185137618 1387625112 /nfs/dbraw/zinc/62/51/12/1387625112.db2.gz HJFOPJQLSNXFFI-UHFFFAOYSA-N -1 0 344.289 3.057 20 30 EGEDRM N#Cc1ccc(C(F)(F)F)c([N-]S(=O)(=O)c2ccsc2)c1 ZINC001185391848 1387702292 /nfs/dbraw/zinc/70/22/92/1387702292.db2.gz UGQPKQSCAVRCNQ-UHFFFAOYSA-N -1 0 332.328 3.439 20 30 EGEDRM Cc1csc([N-]S(=O)(=O)Cc2cc(F)ccc2F)c1C#N ZINC001189644294 1367076860 /nfs/dbraw/zinc/07/68/60/1367076860.db2.gz SRFBNKXODDUJEQ-UHFFFAOYSA-N -1 0 328.365 3.148 20 30 EGEDRM N#Cc1cc(F)cc(F)c1[N-]S(=O)(=O)Cc1cc(F)ccc1F ZINC001189696375 1367088974 /nfs/dbraw/zinc/08/89/74/1367088974.db2.gz AQYGBTKPCGXHJD-UHFFFAOYSA-N -1 0 344.289 3.057 20 30 EGEDRM N#Cc1c(F)cc(F)cc1[N-]S(=O)(=O)c1cc(F)cc(F)c1F ZINC001190395457 1367251674 /nfs/dbraw/zinc/25/16/74/1367251674.db2.gz OPSWLXRKUCSQCS-UHFFFAOYSA-N -1 0 348.252 3.055 20 30 EGEDRM Cc1cc(C)c([N-]S(=O)(=O)c2cc(F)cc(F)c2F)cc1C#N ZINC001190395154 1367252140 /nfs/dbraw/zinc/25/21/40/1367252140.db2.gz FBZNCFFCPHJNEG-UHFFFAOYSA-N -1 0 340.326 3.393 20 30 EGEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C2CC2)cc1 ZINC001190500728 1367278817 /nfs/dbraw/zinc/27/88/17/1367278817.db2.gz XWGXJORGFQIGQP-UHFFFAOYSA-N -1 0 328.393 3.245 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)n2)c1 ZINC001190615713 1367310163 /nfs/dbraw/zinc/31/01/63/1367310163.db2.gz ANHUZTBTOJZXII-UHFFFAOYSA-N -1 0 346.170 3.200 20 30 EGEDRM Cc1cc([N-]S(=O)(=O)c2cc(C#N)ccc2F)c2ccsc2n1 ZINC001190619510 1367310181 /nfs/dbraw/zinc/31/01/81/1367310181.db2.gz PLNVQKBOHQQLLV-UHFFFAOYSA-N -1 0 347.396 3.416 20 30 EGEDRM Cc1c(F)cc([N-]S(=O)(=O)c2cc(C#N)ccc2F)cc1F ZINC001190650532 1367316662 /nfs/dbraw/zinc/31/66/62/1367316662.db2.gz GBCDWJNENHKVGR-UHFFFAOYSA-N -1 0 326.299 3.085 20 30 EGEDRM Cc1cc(Cl)ncc1S(=O)(=O)[N-]c1cc(Cl)ccc1C#N ZINC001192357873 1367762709 /nfs/dbraw/zinc/76/27/09/1367762709.db2.gz OYXKRBTXNCMGAR-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM N#Cc1cc(C(=O)NCc2ccccc2OC(F)(F)F)ccc1[O-] ZINC001193493257 1368045116 /nfs/dbraw/zinc/04/51/16/1368045116.db2.gz BRAOQUQWEWUEIE-UHFFFAOYSA-N -1 0 336.269 3.092 20 30 EGEDRM N#Cc1cc(C(=O)Nc2ccc(OCc3ccncc3)cc2)ccc1[O-] ZINC001193506416 1368048066 /nfs/dbraw/zinc/04/80/66/1368048066.db2.gz RLGFIBGHAMITOA-UHFFFAOYSA-N -1 0 345.358 3.490 20 30 EGEDRM N#Cc1c(F)c(Br)ccc1[N-]S(=O)(=O)CC1CCC1 ZINC001193514085 1368050025 /nfs/dbraw/zinc/05/00/25/1368050025.db2.gz FCFMCSGBDVWXGV-UHFFFAOYSA-N -1 0 347.209 3.002 20 30 EGEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2csc(Cl)c2)c1 ZINC001193644862 1368083094 /nfs/dbraw/zinc/08/30/94/1368083094.db2.gz SIUAUVLOZMILTH-UHFFFAOYSA-N -1 0 328.802 3.083 20 30 EGEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cc(C)c(C)c(C)c2)c1 ZINC001193681007 1368092852 /nfs/dbraw/zinc/09/28/52/1368092852.db2.gz LPZRHEWJKQTRQY-UHFFFAOYSA-N -1 0 330.409 3.293 20 30 EGEDRM Cc1cc(C#N)cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)c1 ZINC001194310636 1368229191 /nfs/dbraw/zinc/22/91/91/1368229191.db2.gz DNHIMTKOJQIPIE-UHFFFAOYSA-N -1 0 341.314 3.081 20 30 EGEDRM N#Cc1cnoc1[N-]S(=O)(=O)c1cccc2c(Cl)cccc21 ZINC001194410554 1368255896 /nfs/dbraw/zinc/25/58/96/1368255896.db2.gz DOTLJKPEZZVTSK-UHFFFAOYSA-N -1 0 333.756 3.154 20 30 EGEDRM C[Si](C)(C)CCS(=O)(=O)[N-]c1sc2c(c1C#N)CCC2 ZINC001195040989 1368365334 /nfs/dbraw/zinc/36/53/34/1368365334.db2.gz MHXGGAVGHNHEKB-UHFFFAOYSA-N -1 0 328.535 3.188 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2cc(C(F)(F)F)c(F)cc2N)c([O-])c1 ZINC001195759219 1368483328 /nfs/dbraw/zinc/48/33/28/1368483328.db2.gz ZUQXKXQGAGFRFE-UHFFFAOYSA-N -1 0 339.248 3.256 20 30 EGEDRM N#Cc1oc2ccccc2c1[N-]S(=O)(=O)c1ccc(Cl)cn1 ZINC001196205227 1368567626 /nfs/dbraw/zinc/56/76/26/1368567626.db2.gz ODDWVEQGDFTPKU-UHFFFAOYSA-N -1 0 333.756 3.154 20 30 EGEDRM CC(=O)c1sccc1[N-]S(=O)(=O)c1cc(Cl)ccc1C#N ZINC001196650586 1368656539 /nfs/dbraw/zinc/65/65/39/1368656539.db2.gz RAAZHKJJQTVPEZ-UHFFFAOYSA-N -1 0 340.813 3.277 20 30 EGEDRM COc1cc(C)c(S(=O)(=O)[N-]c2cc(F)c(C)cc2C#N)c(C)c1 ZINC001196884982 1368706770 /nfs/dbraw/zinc/70/67/70/1368706770.db2.gz FGRPAGRMWGFJIM-UHFFFAOYSA-N -1 0 348.399 3.432 20 30 EGEDRM N#CCc1cc(NC(=S)Nc2ccc(C(=O)[O-])cc2)ccc1F ZINC001197121853 1368749094 /nfs/dbraw/zinc/74/90/94/1368749094.db2.gz RGTDZMDVWJVXDD-UHFFFAOYSA-N -1 0 329.356 3.399 20 30 EGEDRM N#Cc1cccnc1[N-]S(=O)(=O)Cc1cc(Cl)ccc1Cl ZINC001197503298 1368828169 /nfs/dbraw/zinc/82/81/69/1368828169.db2.gz UKRRDYOQAKXLBG-UHFFFAOYSA-N -1 0 342.207 3.202 20 30 EGEDRM N#Cc1cc(F)c(F)cc1[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC001197608228 1368853742 /nfs/dbraw/zinc/85/37/42/1368853742.db2.gz GDYCKNIKZUFOMQ-UHFFFAOYSA-N -1 0 344.289 3.057 20 30 EGEDRM C=CCSc1ncccc1C(=O)Nc1cc(C#N)c(F)cc1[O-] ZINC001199738798 1369265169 /nfs/dbraw/zinc/26/51/69/1369265169.db2.gz PENUMXVYSCUBGE-UHFFFAOYSA-N -1 0 329.356 3.328 20 30 EGEDRM C=CCc1c(F)c(F)c(C(=O)NC2=CC(=O)CCC2)c(F)c1F ZINC001186730959 1388000992 /nfs/dbraw/zinc/00/09/92/1388000992.db2.gz IXBVBRFEVSXWSW-UHFFFAOYSA-N -1 0 327.277 3.338 20 30 EGEDRM Cc1nc(Cl)sc1S(=O)(=O)[N-]c1ccc(C)cc1C#N ZINC001201756401 1369617160 /nfs/dbraw/zinc/61/71/60/1369617160.db2.gz PKWUWVRLRDYSPW-UHFFFAOYSA-N -1 0 327.818 3.086 20 30 EGEDRM N#Cc1ncc(Nc2ccc(F)c(Br)c2[O-])cc1F ZINC001203062488 1369970377 /nfs/dbraw/zinc/97/03/77/1369970377.db2.gz MTIGQBKIFJTDCE-UHFFFAOYSA-N -1 0 326.100 3.443 20 30 EGEDRM O=C1C=C2CN(Cc3cc(Cl)cc(Cl)c3[O-])CC[C@@H]2S1 ZINC001203575226 1370175926 /nfs/dbraw/zinc/17/59/26/1370175926.db2.gz GXDOBSIQDIRIMD-LBPRGKRZSA-N -1 0 330.236 3.473 20 30 EGEDRM N#Cc1c(F)cccc1[N-]S(=O)(=O)c1cc2c(s1)CCCC2 ZINC001187206638 1388071113 /nfs/dbraw/zinc/07/11/13/1388071113.db2.gz GIFTXHIKGAZLBZ-UHFFFAOYSA-N -1 0 336.413 3.438 20 30 EGEDRM CC(C)(C)c1ccc(N=NC2CC(C(=O)[O-])(c3ccccc3)C2)nn1 ZINC001326234262 1388130586 /nfs/dbraw/zinc/13/05/86/1388130586.db2.gz KXQZESWIKKJXMN-UHFFFAOYSA-N -1 0 338.411 3.358 20 30 EGEDRM COC(=O)c1sc(Nc2ccc(OC)c(C(=O)[O-])c2)c(C#N)c1C ZINC001209896980 1372226818 /nfs/dbraw/zinc/22/68/18/1372226818.db2.gz QAIKPTYXQMLQCC-UHFFFAOYSA-N -1 0 346.364 3.165 20 30 EGEDRM Cc1cc(S(=O)(=O)[O-])c(Nc2cnc(C#N)c(C)c2)cc1Cl ZINC001210205103 1372294011 /nfs/dbraw/zinc/29/40/11/1372294011.db2.gz ATQYREUMALCGEM-UHFFFAOYSA-N -1 0 337.788 3.214 20 30 EGEDRM COC(=O)c1cc(C#N)cc(C)c1Nc1cccc(C(=O)[O-])c1F ZINC001210246185 1372304553 /nfs/dbraw/zinc/30/45/53/1372304553.db2.gz SBCZPHHBDGJLAH-UHFFFAOYSA-N -1 0 328.299 3.234 20 30 EGEDRM C[C@H]1CC(=O)C=C(Nc2ccc3c(cccc3S(=O)(=O)[O-])c2)C1 ZINC001210773025 1372424077 /nfs/dbraw/zinc/42/40/77/1372424077.db2.gz QKKAUTAAVKHJSM-LLVKDONJSA-N -1 0 331.393 3.381 20 30 EGEDRM Cc1cc(S(=O)(=O)[O-])c(NC2=CC(=O)C[C@H](C)C2)cc1Cl ZINC001210773019 1372424375 /nfs/dbraw/zinc/42/43/75/1372424375.db2.gz QHJDBLBODJBFEN-MRVPVSSYSA-N -1 0 329.805 3.190 20 30 EGEDRM COC(=O)c1cc(C#N)cc(C)c1Nc1cccc(C(=O)[O-])c1OC ZINC001211040474 1372475625 /nfs/dbraw/zinc/47/56/25/1372475625.db2.gz QRSRQRNPJZYUKQ-UHFFFAOYSA-N -1 0 340.335 3.104 20 30 EGEDRM CCOC(=O)COc1ccc(Nc2cc(C#N)c(F)cc2[O-])cc1 ZINC001211421409 1372555820 /nfs/dbraw/zinc/55/58/20/1372555820.db2.gz LZNCQTZXODRFRJ-UHFFFAOYSA-N -1 0 330.315 3.088 20 30 EGEDRM COC(=O)c1scc(C#N)c1Nc1ccc(C(=O)[O-])c(F)c1F ZINC001212510935 1372717044 /nfs/dbraw/zinc/71/70/44/1372717044.db2.gz KDIWSGPLQQKIGL-UHFFFAOYSA-N -1 0 338.291 3.126 20 30 EGEDRM COc1cc(C#N)c(Nc2ccc(C(=O)[O-])c(F)c2F)cc1OC ZINC001212513162 1372717862 /nfs/dbraw/zinc/71/78/62/1372717862.db2.gz BYKNJIGWTNUZAH-UHFFFAOYSA-N -1 0 334.278 3.295 20 30 EGEDRM N#Cc1cnn(-c2ccccn2)c1Nc1ccc(Cl)c([O-])c1F ZINC001214793470 1373119746 /nfs/dbraw/zinc/11/97/46/1373119746.db2.gz FUDRQFNBWDEMII-UHFFFAOYSA-N -1 0 329.722 3.381 20 30 EGEDRM N#Cc1cnn(C2CCOCC2)c1Nc1ccc(Cl)c([O-])c1F ZINC001214795914 1373120976 /nfs/dbraw/zinc/12/09/76/1373120976.db2.gz BMNINOWXBBYALA-UHFFFAOYSA-N -1 0 336.754 3.348 20 30 EGEDRM N#Cc1cc(-c2nc(-c3cccc(C4OCCO4)c3)no2)ccc1[O-] ZINC001216969980 1373373531 /nfs/dbraw/zinc/37/35/31/1373373531.db2.gz VZEDRSHDBSMZOQ-UHFFFAOYSA-N -1 0 335.319 3.026 20 30 EGEDRM COc1c(F)c(F)ccc1-c1noc(-c2cccc(C#N)c2[O-])n1 ZINC001216980257 1373375016 /nfs/dbraw/zinc/37/50/16/1373375016.db2.gz XVIURGOLWNXNJO-UHFFFAOYSA-N -1 0 329.262 3.268 20 30 EGEDRM CCCCCCCC(=O)c1ccc([O-])c(C(=O)N[C@@H](CC)CO)c1 ZINC001221379058 1373771921 /nfs/dbraw/zinc/77/19/21/1373771921.db2.gz BXEGPUFDRQCYHS-HNNXBMFYSA-N -1 0 335.444 3.436 20 30 EGEDRM CCOC(=O)c1cc(-c2c(F)cc(C(=O)[O-])cc2F)ccc1C#N ZINC001222412477 1373841943 /nfs/dbraw/zinc/84/19/43/1373841943.db2.gz KYZQYGPDFANNRD-UHFFFAOYSA-N -1 0 331.274 3.378 20 30 EGEDRM N#Cc1cc(F)c(=O)[n-]c1O[C@@H]1CC[C@H](OCc2ccccc2)C1 ZINC001226016402 1375190802 /nfs/dbraw/zinc/19/08/02/1375190802.db2.gz SVHJFNSHBDPIPF-LSDHHAIUSA-N -1 0 328.343 3.315 20 30 EGEDRM C[C@H](Oc1nccc(/C=N/[O-])n1)c1c(F)c(F)c(F)c(F)c1F ZINC001226252954 1375227887 /nfs/dbraw/zinc/22/78/87/1375227887.db2.gz CCDYZSXGCXIHQX-QBFSMHBOSA-N -1 0 333.216 3.120 20 30 EGEDRM C#C[C@@H](Oc1ccc(O)cc1S(=O)(=O)[O-])[C@H](CC)CCCC ZINC001226411929 1375255415 /nfs/dbraw/zinc/25/54/15/1375255415.db2.gz AIUSLMCDGJZPLH-TZMCWYRMSA-N -1 0 326.414 3.236 20 30 EGEDRM C=C[C@]1(C)CC[C@@H](Oc2ccc(-n3nn[n-]c3=S)cc2)C(C)(C)O1 ZINC001228438904 1375571674 /nfs/dbraw/zinc/57/16/74/1375571674.db2.gz RPMZIYSPDNKHLC-RHSMWYFYSA-N -1 0 346.456 3.232 20 30 EGEDRM C[C@H]1CN(C(=O)OC(C)(C)C)CCC[C@H]1Oc1[n-]c(=O)ccc1C#N ZINC001228898818 1375709058 /nfs/dbraw/zinc/70/90/58/1375709058.db2.gz MINHCVOFHGRCQI-GXTWGEPZSA-N -1 0 347.415 3.073 20 30 EGEDRM C=C[C@@H](CCCCC)Oc1nc[n-]c(=O)c1I ZINC001228932338 1375720023 /nfs/dbraw/zinc/72/00/23/1375720023.db2.gz ZTIPCYBKFANXLY-VIFPVBQESA-N -1 0 348.184 3.301 20 30 EGEDRM C=CCOC(=O)N[C@@H]1CCCN(Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237803940 1376988179 /nfs/dbraw/zinc/98/81/79/1376988179.db2.gz WSLGELYQSJIQBE-CYBMUJFWSA-N -1 0 342.798 3.061 20 30 EGEDRM N#Cc1ccc(Nc2c(O)cc(S(=O)(=O)[O-])c3ccccc32)cc1 ZINC001249712680 1377078037 /nfs/dbraw/zinc/07/80/37/1377078037.db2.gz NRAPGVXKDASWMI-UHFFFAOYSA-N -1 0 340.360 3.407 20 30 EGEDRM O=S(=O)(NCCCCCCS)c1cc(Cl)ccc1F ZINC001259462091 1377123181 /nfs/dbraw/zinc/12/31/81/1377123181.db2.gz JEXTZTKWEVUBTG-UHFFFAOYSA-N -1 0 325.858 3.248 20 30 EGEDRM N#Cc1cc(NC(=O)c2nc3c(cccc3F)s2)c([O-])cc1F ZINC001152630935 1379959676 /nfs/dbraw/zinc/95/96/76/1379959676.db2.gz FNVOOXORHRMHLJ-UHFFFAOYSA-N -1 0 331.303 3.404 20 30 EGEDRM CNc1ccc(C#N)cc1NC(=O)c1ccc2ccc(C)nc2c1[O-] ZINC001155658098 1380479750 /nfs/dbraw/zinc/47/97/50/1380479750.db2.gz AFXMWXOVXSGMGA-UHFFFAOYSA-N -1 0 332.363 3.415 20 30 EGEDRM N#Cc1c(Cl)c2cc(F)c(F)cc2nc1NCc1cc(=O)[n-]o1 ZINC001158568848 1381304799 /nfs/dbraw/zinc/30/47/99/1381304799.db2.gz UCXZLAWJTOWKNQ-UHFFFAOYSA-N -1 0 336.685 3.344 20 30 EGEDRM C=CCOc1ccccc1[C@@H](C)Nc1cccc(S(=O)(=O)[O-])n1 ZINC001171373532 1384504704 /nfs/dbraw/zinc/50/47/04/1384504704.db2.gz SZWYDFAIJPCTSD-GFCCVEGCSA-N -1 0 334.397 3.066 20 30 EGEDRM N#Cc1cc(Nc2ccc(C(=O)N3CCCC3)cc2)c([O-])cc1F ZINC001174069162 1385054573 /nfs/dbraw/zinc/05/45/73/1385054573.db2.gz ANMFCZMCFXBWJZ-UHFFFAOYSA-N -1 0 325.343 3.383 20 30 EGEDRM CO/N=C(\C(=O)Nc1c(Cl)ccc([O-])c1Cl)c1ccco1 ZINC001177352384 1385925454 /nfs/dbraw/zinc/92/54/54/1385925454.db2.gz UJSXGOTYGUSZEN-ATVHPVEESA-N -1 0 329.139 3.281 20 30 EGEDRM C[C@H](C#N)CNN=Cc1cccc(OCc2cccc(C(=O)[O-])c2)c1 ZINC001319289866 1386046119 /nfs/dbraw/zinc/04/61/19/1386046119.db2.gz HIGFLNCBMTVGKX-CQSZACIVSA-N -1 0 337.379 3.047 20 30 EGEDRM CCOC(=O)COc1ccc(C=CC(=O)c2sccc2[O-])cc1 ZINC001320865779 1386742054 /nfs/dbraw/zinc/74/20/54/1386742054.db2.gz NRARPSJPLVSJGC-VMPITWQZSA-N -1 0 332.377 3.292 20 30 EGEDRM Cc1cn(CCC(=O)N(O)C(=N)c2ccccc2N)c2ccccc12 ZINC001181210744 1386959978 /nfs/dbraw/zinc/95/99/78/1386959978.db2.gz NEYVCCNRWCTGOC-UHFFFAOYSA-N -1 0 336.395 3.165 20 30 EGEDRM C=C(C)C(C)(C)C(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccc(F)cc2F)C1 ZINC001334996484 1390629748 /nfs/dbraw/zinc/62/97/48/1390629748.db2.gz HJVNWQSZAPQOMS-KGLIPLIRSA-N -1 0 337.366 3.194 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)c2cccc(F)n2)nn1-c1cccc(C#N)c1 ZINC001344020486 1390750740 /nfs/dbraw/zinc/75/07/40/1390750740.db2.gz BHZDHYHFTKQYSW-OAHLLOKOSA-N -1 0 345.337 3.077 20 30 EGEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1cc(C)nc(C)c1)c1ccccc1 ZINC001344580801 1390800958 /nfs/dbraw/zinc/80/09/58/1390800958.db2.gz URJKBVZJLDQAAT-MSOLQXFVSA-N -1 0 335.407 3.288 20 30 EGEDRM N#Cc1ccc(Sc2cccc(-c3nn[n-]n3)n2)cc1C(F)(F)F ZINC000826386115 1426058639 /nfs/dbraw/zinc/05/86/39/1426058639.db2.gz POMZOFGBTKXYPH-UHFFFAOYSA-N -1 0 348.313 3.303 20 30 EGEDRM O=C(C=Cc1nccc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000737809972 1428452294 /nfs/dbraw/zinc/45/22/94/1428452294.db2.gz WIXOJFISVNSGKS-HJWRWDBZSA-N -1 0 327.347 3.311 20 30 EGEDRM C=CCN(CC1CCCCC1)C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000823904287 1429302707 /nfs/dbraw/zinc/30/27/07/1429302707.db2.gz ZPRVRZOKPZBTLD-UHFFFAOYSA-N -1 0 339.443 3.384 20 30 EGEDRM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1c[nH]c2ccccc12 ZINC000822921918 1429389808 /nfs/dbraw/zinc/38/98/08/1429389808.db2.gz AGAIRCHWBFYFFI-BQYQJAHWSA-N -1 0 333.326 3.383 20 30 EGEDRM COc1ccccc1C=C1CCc2cc(-c3nn[n-]n3)ccc2C1=O ZINC000821890751 1423552914 /nfs/dbraw/zinc/55/29/14/1423552914.db2.gz PHRSCAPSVUIJHP-SDNWHVSQSA-N -1 0 332.363 3.088 20 30 EGEDRM Cc1c(C(=O)C=Cc2ccc(C)cc2C)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737329599 1424277898 /nfs/dbraw/zinc/27/78/98/1424277898.db2.gz MYMMEKMEGYVVCN-HJWRWDBZSA-N -1 0 347.422 3.436 20 30 EGEDRM CCCC(CCc1ccccc1)N=Nc1oc(C)nc1-c1nn[n-]n1 ZINC000736427110 1429770896 /nfs/dbraw/zinc/77/08/96/1429770896.db2.gz TYLUCABZRCJSIP-UHFFFAOYSA-N -1 0 339.403 3.364 20 30 EGEDRM CC1(c2ccccc2)CC(=NNCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820633532 1425077111 /nfs/dbraw/zinc/07/71/11/1425077111.db2.gz BZSOZGNZDMVMMQ-UHFFFAOYSA-N -1 0 332.411 3.064 20 30 EGEDRM O=C(C=Cc1cc(F)c(F)cc1F)c1ccc(-c2nn[n-]n2)s1 ZINC000826400275 1426612718 /nfs/dbraw/zinc/61/27/18/1426612718.db2.gz URHFANXYXHJOGF-OWOJBTEDSA-N -1 0 336.298 3.242 20 30 EGEDRM Cc1cc(C)c2c(c1)OCC(=Cc1ccc(-c3nn[n-]n3)s1)C2=O ZINC000822195014 1427188959 /nfs/dbraw/zinc/18/89/59/1427188959.db2.gz DCUSOMOOHWEWBV-YRNVUSSQSA-N -1 0 338.392 3.204 20 30 EGEDRM COc1ccc2c(c1)C(=O)C(=Cc1ccc(-c3nn[n-]n3)s1)CC2 ZINC000821850154 1427322762 /nfs/dbraw/zinc/32/27/62/1427322762.db2.gz XLBKJUSMGHURII-DHZHZOJOSA-N -1 0 338.392 3.149 20 30 EGEDRM N#Cc1ccccc1SCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000822842295 1441424608 /nfs/dbraw/zinc/42/46/08/1441424608.db2.gz ASWUUDWNSSNUFW-UHFFFAOYSA-N -1 0 337.408 3.300 20 30 EGEDRM CCOc1cccc(C=Nc2cc(-c3nn[n-]n3)ccc2Cl)c1O ZINC000821427561 1442184450 /nfs/dbraw/zinc/18/44/50/1442184450.db2.gz VJXNCVJUNWRLQU-UHFFFAOYSA-N -1 0 343.774 3.375 20 30 EGEDRM N#Cc1cccc(CNc2ccc(-c3nn[n-]n3)cc2Cl)c1F ZINC000826386486 1442207825 /nfs/dbraw/zinc/20/78/25/1442207825.db2.gz HCYQTNOEWCAXNU-UHFFFAOYSA-N -1 0 328.738 3.143 20 30 EGEDRM O=C1c2ccc(F)cc2CCC1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826475375 1443368071 /nfs/dbraw/zinc/36/80/71/1443368071.db2.gz DHYXEBORPBOPQJ-KPKJPENVSA-N -1 0 338.317 3.357 20 30 EGEDRM C=C[C@H](CC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000823882836 1443685848 /nfs/dbraw/zinc/68/58/48/1443685848.db2.gz DTUPZJJGESKMQG-GFCCVEGCSA-N -1 0 337.358 3.304 20 30 EGEDRM CC(C)[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1ccccc1 ZINC000820016148 1446132463 /nfs/dbraw/zinc/13/24/63/1446132463.db2.gz JZDHVFZATAYYHG-QGZVFWFLSA-N -1 0 346.394 3.117 20 30 EGEDRM C=CCOc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000823932100 1446452901 /nfs/dbraw/zinc/45/29/01/1446452901.db2.gz OMGTUMNCUSZYCW-VMPITWQZSA-N -1 0 338.392 3.389 20 30 EGEDRM COc1ccc2c(c1)C(=O)C(=Cc1cccc(-c3nn[n-]n3)c1)CC2 ZINC000737115965 1446698702 /nfs/dbraw/zinc/69/87/02/1446698702.db2.gz SSSJABUZFRVQPN-ZROIWOOFSA-N -1 0 332.363 3.088 20 30 EGEDRM CC(=NNc1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823958350 1446789834 /nfs/dbraw/zinc/78/98/34/1446789834.db2.gz KOKZZMDGHNBYRS-UHFFFAOYSA-N -1 0 330.754 3.495 20 30 EGEDRM C=CC(C)(C)CC(=O)N[C@H](C(=O)[O-])c1ccc(OC)c(Cl)c1 ZINC000909796108 939734998 /nfs/dbraw/zinc/73/49/98/939734998.db2.gz MKAYMEOIRMMBAR-AWEZNQCLSA-N -1 0 325.792 3.193 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)N[C@H](c1oc2ccccc2c1C)C(C)C ZINC001602683945 971276458 /nfs/dbraw/zinc/27/64/58/971276458.db2.gz MLEXPAZEZRNIGW-KRWDZBQOSA-N -1 0 342.395 3.168 20 30 EGEDRM CCCC[C@H](ON=C(C)C)C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001589639793 949671548 /nfs/dbraw/zinc/67/15/48/949671548.db2.gz LLBOWXHPERENOF-IRXDYDNUSA-N -1 0 346.427 3.168 20 30 EGEDRM CCCC[C@@H](ON=C(C)C)C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001589639791 949671605 /nfs/dbraw/zinc/67/16/05/949671605.db2.gz LLBOWXHPERENOF-DLBZAZTESA-N -1 0 346.427 3.168 20 30 EGEDRM C[C@H](C(=O)[O-])N(C(=O)Nc1scc(C(C)(C)C)c1C#N)C1CC1 ZINC001602815094 971613848 /nfs/dbraw/zinc/61/38/48/971613848.db2.gz KMXXQXVYFWLHKC-SECBINFHSA-N -1 0 335.429 3.387 20 30 EGEDRM CCN(C(=O)c1coc(/C=C\C(=O)[O-])c1)[C@H](C)c1ccc(C#N)cc1 ZINC001589710679 950319737 /nfs/dbraw/zinc/31/97/37/950319737.db2.gz LBMCVFSAFUNCQM-LJTDUEICSA-N -1 0 338.363 3.472 20 30 EGEDRM N#CC1(c2ccc(C(=O)N3CCCC[C@H]3CCC(=O)[O-])cc2)CC1 ZINC001594602931 956152291 /nfs/dbraw/zinc/15/22/91/956152291.db2.gz VABOENVUTOBRLA-INIZCTEOSA-N -1 0 326.396 3.101 20 30 EGEDRM N#CCOc1ccccc1C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001594611662 956219095 /nfs/dbraw/zinc/21/90/95/956219095.db2.gz WAFINAIMWPXQHN-UHFFFAOYSA-N -1 0 348.717 3.332 20 30 EGEDRM N#Cc1cc(F)c(OC(=O)CCCCC(=O)[O-])c(Br)c1 ZINC001594616640 956242681 /nfs/dbraw/zinc/24/26/81/956242681.db2.gz PFRPZSJKAMJSDC-UHFFFAOYSA-N -1 0 344.136 3.010 20 30 EGEDRM N#Cc1cc(F)c(C(=O)N2CCCc3cc(C(=O)[O-])ccc32)c(F)c1 ZINC001594616745 956243555 /nfs/dbraw/zinc/24/35/55/956243555.db2.gz RIPMGGAUABJDQR-UHFFFAOYSA-N -1 0 342.301 3.128 20 30 EGEDRM N#Cc1cccc([C@H](NC(=O)c2cccc(C(=O)[O-])c2)C(F)(F)F)c1 ZINC001594626336 956315349 /nfs/dbraw/zinc/31/53/49/956315349.db2.gz WQDQOHSYNHTBST-AWEZNQCLSA-N -1 0 348.280 3.290 20 30 EGEDRM N#Cc1cccc(C2(C(=O)Nc3cccc(CCC(=O)[O-])c3)CC2)c1 ZINC001594626313 956315527 /nfs/dbraw/zinc/31/55/27/956315527.db2.gz VQHCUJKUURAJLC-UHFFFAOYSA-N -1 0 334.375 3.246 20 30 EGEDRM N#Cc1cnc(Nc2cccc(CCC(=O)[O-])c2)c(Br)c1 ZINC001594633547 956358595 /nfs/dbraw/zinc/35/85/95/956358595.db2.gz VOXOFCVHFSEZOO-UHFFFAOYSA-N -1 0 346.184 3.477 20 30 EGEDRM CC[C@]1(C(=O)[O-])CCCN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1 ZINC000926101577 957144371 /nfs/dbraw/zinc/14/43/71/957144371.db2.gz VZQMGJCVHFCLCR-SFHVURJKSA-N -1 0 346.431 3.223 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)N[C@H]1CCc2ccc(-c3ccccc3)cc21 ZINC001588409363 958127770 /nfs/dbraw/zinc/12/77/70/958127770.db2.gz GEMWIMMQELXALW-IBGZPJMESA-N -1 0 348.402 3.070 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)c1cc(-c2ccc(F)cc2)c(C)s1 ZINC001588417600 958176578 /nfs/dbraw/zinc/17/65/78/958176578.db2.gz YGZPBVJXKPHGBN-UHFFFAOYSA-N -1 0 331.368 3.023 20 30 EGEDRM Cc1ccc(-c2cnc(NC(=O)[C@](C)(C#N)CC(=O)[O-])s2)c(C)c1 ZINC001594335866 958266079 /nfs/dbraw/zinc/26/60/79/958266079.db2.gz OVKRZBBPLRMTII-KRWDZBQOSA-N -1 0 343.408 3.370 20 30 EGEDRM C=CCCC(=O)Nc1ccc(COC(=O)C2(CC(=O)[O-])CCC2)cc1 ZINC001588457171 958444533 /nfs/dbraw/zinc/44/45/33/958444533.db2.gz NYXSIUJKRJAJSP-UHFFFAOYSA-N -1 0 345.395 3.280 20 30 EGEDRM C=CCN(CCc1ccccc1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001588463979 958487899 /nfs/dbraw/zinc/48/78/99/958487899.db2.gz DJHSAHLMMGENSB-UHFFFAOYSA-N -1 0 338.407 3.325 20 30 EGEDRM C=C(C)c1cccc(NC(=O)C2=NN(c3ccccc3)[C@@H](C(=O)[O-])C2)c1 ZINC001573329299 958507845 /nfs/dbraw/zinc/50/78/45/958507845.db2.gz CJRXUUXCXBUOPY-GOSISDBHSA-N -1 0 349.390 3.378 20 30 EGEDRM C=CCn1c(SCCC2(C(=O)[O-])CCC2)nnc1-c1ccncc1 ZINC001588474074 958553176 /nfs/dbraw/zinc/55/31/76/958553176.db2.gz CIGHWWJOVROOOS-UHFFFAOYSA-N -1 0 344.440 3.263 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NCCc1ccc(C2CCCCC2)cc1 ZINC001573363865 958609459 /nfs/dbraw/zinc/60/94/59/958609459.db2.gz MDTZUUYCJSUOCS-FQEVSTJZSA-N -1 0 342.439 3.398 20 30 EGEDRM CC(C)[C@H](C(=O)[O-])C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC001573489768 959006013 /nfs/dbraw/zinc/00/60/13/959006013.db2.gz OPSADFONZGZPEK-INIZCTEOSA-N -1 0 342.420 3.260 20 30 EGEDRM Cc1csc(NC(=O)N[C@@H](C(=O)[O-])c2ccc(F)cc2)c1C#N ZINC001594440865 959264377 /nfs/dbraw/zinc/26/43/77/959264377.db2.gz SUKDLMCVHIBAIZ-GFCCVEGCSA-N -1 0 333.344 3.015 20 30 EGEDRM C[C@H](C(=O)[O-])c1noc(-c2cccc(COc3ccccc3C#N)c2)n1 ZINC001588602671 959445864 /nfs/dbraw/zinc/44/58/64/959445864.db2.gz JLCIJPLNFSFZSD-LBPRGKRZSA-N -1 0 349.346 3.375 20 30 EGEDRM CC(C)(C)[C@H](C(=O)[O-])C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 ZINC001588630949 959606770 /nfs/dbraw/zinc/60/67/70/959606770.db2.gz STHDPXZBFHGTDD-CABZTGNLSA-N -1 0 334.372 3.359 20 30 EGEDRM Cc1c(C)n(-c2ccccc2)c(NC(=O)[C@@H]2CC[C@H]2C(=O)[O-])c1C#N ZINC001594253301 959631226 /nfs/dbraw/zinc/63/12/26/959631226.db2.gz WNCKISKCEYMUKL-HUUCEWRRSA-N -1 0 337.379 3.015 20 30 EGEDRM Cc1c2cc(C#N)ccc2sc1C(=O)N1CCC[C@@]1(C)C(=O)[O-] ZINC001594256805 959656933 /nfs/dbraw/zinc/65/69/33/959656933.db2.gz YWZKJZLZNCQWNC-KRWDZBQOSA-N -1 0 328.393 3.161 20 30 EGEDRM Cc1c2cc(C#N)ccc2sc1C(=O)Nc1ccc(C(=O)[O-])cn1 ZINC001594258759 959671473 /nfs/dbraw/zinc/67/14/73/959671473.db2.gz BGDBSMFCIPPYKA-UHFFFAOYSA-N -1 0 337.360 3.427 20 30 EGEDRM C[C@@H]1CCc2sc(NC(=O)[C@@H]3CC[C@H]3C(=O)[O-])c(C#N)c2[C@H]1C ZINC001573739625 960481292 /nfs/dbraw/zinc/48/12/92/960481292.db2.gz WBIHRCPLTFKRRG-LMLFDSFASA-N -1 0 332.425 3.355 20 30 EGEDRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)Nc1sc2c(c1C#N)C[C@H](C)C[C@H]2C ZINC001573745802 960490461 /nfs/dbraw/zinc/49/04/61/960490461.db2.gz GSLCIWNTGLKURJ-AMJPJTCQSA-N -1 0 332.425 3.355 20 30 EGEDRM CCCCCCCCNC(=O)NC[C@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001573841197 961077331 /nfs/dbraw/zinc/07/73/31/961077331.db2.gz PYGNFMQZVMQABX-SWKXRBFHSA-N -1 0 340.464 3.059 20 30 EGEDRM CC(C)(C)Oc1ccc(NC(=O)[C@@]2(C(=O)[O-])CC2(C)C)cc1C#N ZINC001588734292 961117359 /nfs/dbraw/zinc/11/73/59/961117359.db2.gz GXLDKSZTZNSYLF-GOSISDBHSA-N -1 0 330.384 3.175 20 30 EGEDRM CCN(C(=O)c1cccc(Nc2ccc(C#N)cc2)c1)[C@@H](C)C(=O)[O-] ZINC001573873812 961225388 /nfs/dbraw/zinc/22/53/88/961225388.db2.gz DDDYNKOPHQBVCT-ZDUSSCGKSA-N -1 0 337.379 3.237 20 30 EGEDRM N#Cc1cc(NC(=O)c2ccc(OCC(=O)[O-])cc2)ccc1C1CC1 ZINC001574485988 961679322 /nfs/dbraw/zinc/67/93/22/961679322.db2.gz ODLLPFMOOZDUBH-UHFFFAOYSA-N -1 0 336.347 3.151 20 30 EGEDRM CN(C(=O)c1coc(/C=C\C(=O)[O-])c1)c1ccc(C#N)c(Cl)c1 ZINC001573982909 961777622 /nfs/dbraw/zinc/77/76/22/961777622.db2.gz HMFPZRIGUNKQDF-PLNGDYQASA-N -1 0 330.727 3.179 20 30 EGEDRM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC001588871033 962078422 /nfs/dbraw/zinc/07/84/22/962078422.db2.gz HCTXQFRJHQCWQX-SFHVURJKSA-N -1 0 342.439 3.434 20 30 EGEDRM C=C(C)CCC(=O)Nc1cccc(C(=O)N2CCCC[C@@H]2C(=O)[O-])c1 ZINC001345107299 962228344 /nfs/dbraw/zinc/22/83/44/962228344.db2.gz FHHZUEJMFUQNHT-MRXNPFEDSA-N -1 0 344.411 3.061 20 30 EGEDRM C#CCN(C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)[C@@H]1CCCc2ccccc21 ZINC001573301478 962628567 /nfs/dbraw/zinc/62/85/67/962628567.db2.gz CWYNFHFJTVBKGB-ZIFCJYIRSA-N -1 0 339.435 3.417 20 30 EGEDRM C#Cc1ccc(NC(=O)N[C@H](C)[C@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC001573313143 962725991 /nfs/dbraw/zinc/72/59/91/962725991.db2.gz CDDZGKOJXQSZRV-KDOFPFPSSA-N -1 0 336.391 3.121 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)[C@H](C)Oc1ccc(C(C)C)c(C)c1)C(=O)[O-] ZINC001573320664 962750538 /nfs/dbraw/zinc/75/05/38/962750538.db2.gz DOYCYPKAASXIJN-WMLDXEAASA-N -1 0 333.428 3.421 20 30 EGEDRM C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001573326560 962804426 /nfs/dbraw/zinc/80/44/26/962804426.db2.gz YQALKXACCJCADY-CYBMUJFWSA-N -1 0 346.818 3.086 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N(CCC)[C@H]1C[C@H](OCC)C12CCCC2 ZINC001573326471 962805357 /nfs/dbraw/zinc/80/53/57/962805357.db2.gz XAIHUAZEFGHMHG-HOTGVXAUSA-N -1 0 337.460 3.384 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N[C@H](c1ccccc1)c1ccc(F)cc1 ZINC001573332528 962835386 /nfs/dbraw/zinc/83/53/86/962835386.db2.gz KZGFLIRYZFWNTN-GOSISDBHSA-N -1 0 327.355 3.452 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1nc(-c2sc(C)nc2C)cs1 ZINC001573338489 962875298 /nfs/dbraw/zinc/87/52/98/962875298.db2.gz CFYNVWPFEHCNHY-UHFFFAOYSA-N -1 0 337.426 3.243 20 30 EGEDRM C=C[C@@H](C(=O)NC[C@@H](C(=O)[O-])c1ccc(F)cc1)c1ccccc1 ZINC001573345412 962933952 /nfs/dbraw/zinc/93/39/52/962933952.db2.gz SKGPGUVYMYGUFL-IAGOWNOFSA-N -1 0 327.355 3.080 20 30 EGEDRM C=CC[C@H](C(=O)NCc1ccc(Cl)c(C(=O)[O-])n1)c1ccccc1 ZINC001573351478 962978085 /nfs/dbraw/zinc/97/80/85/962978085.db2.gz UOPDARYGZFLFHG-AWEZNQCLSA-N -1 0 344.798 3.409 20 30 EGEDRM C=CCC1(NS(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)CCCCC1 ZINC001573353106 962997357 /nfs/dbraw/zinc/99/73/57/962997357.db2.gz PBNUMUBIDDBYTO-UHFFFAOYSA-N -1 0 341.404 3.081 20 30 EGEDRM C=CCCC[C@H](NC(=O)Nc1cc(C(=O)[O-])n(C)n1)c1ccccc1 ZINC001573357819 963021905 /nfs/dbraw/zinc/02/19/05/963021905.db2.gz SZQFSOUTPGZIKY-AWEZNQCLSA-N -1 0 342.399 3.337 20 30 EGEDRM C=CCCCCCCCCNC(=O)N[C@H]1CCCN(C(=O)[O-])C1 ZINC001573366202 963058595 /nfs/dbraw/zinc/05/85/95/963058595.db2.gz KISKJIDSXBDUTN-HNNXBMFYSA-N -1 0 325.453 3.345 20 30 EGEDRM C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC001573379303 963106917 /nfs/dbraw/zinc/10/69/17/963106917.db2.gz BWIRZEHWBZYLDL-IKGGRYGDSA-N -1 0 345.439 3.207 20 30 EGEDRM CC[C@]1(C(=O)[O-])CCCN(C(=O)N[C@H](CCC#N)c2ccccc2)C1 ZINC001336848193 969733945 /nfs/dbraw/zinc/73/39/45/969733945.db2.gz KWGZCLJEBHRKHO-APWZRJJASA-N -1 0 343.427 3.318 20 30 EGEDRM C=CCC1(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)CCCC1 ZINC001339958265 969742647 /nfs/dbraw/zinc/74/26/47/969742647.db2.gz JEYMBGNJYYCWOU-CVEARBPZSA-N -1 0 328.412 3.488 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC001609691399 970447796 /nfs/dbraw/zinc/44/77/96/970447796.db2.gz MJBFUUMCEVRENL-RVSPLBMKSA-N -1 0 334.803 3.097 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Oc1ccc(SC(F)(F)F)cc1 ZINC001609696333 970457511 /nfs/dbraw/zinc/45/75/11/970457511.db2.gz OJIKYGWAVSJRGG-GFCCVEGCSA-N -1 0 333.287 3.208 20 30 EGEDRM C[C@H]1CCCN(CC#Cc2ccc(C(F)(F)F)cc2)[C@H]1C(=O)[O-] ZINC001603410502 973090536 /nfs/dbraw/zinc/09/05/36/973090536.db2.gz VJTJPYXVMYPWDN-SWLSCSKDSA-N -1 0 325.330 3.242 20 30 EGEDRM CCC(CC)(C(=O)[O-])C(=O)N1CCC(c2ccc(C#N)cc2)CC1 ZINC001603520016 973544222 /nfs/dbraw/zinc/54/42/22/973544222.db2.gz KQAUWTKEVMJXBI-UHFFFAOYSA-N -1 0 328.412 3.155 20 30 EGEDRM N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)cc1 ZINC001605577136 973856017 /nfs/dbraw/zinc/85/60/17/973856017.db2.gz XOMXWLMSWLTXGP-KBAYOESNSA-N -1 0 349.390 3.327 20 30 EGEDRM N#Cc1cccc(-c2nnc(CNc3cccc(CCC(=O)[O-])c3)o2)c1 ZINC001605617860 973938543 /nfs/dbraw/zinc/93/85/43/973938543.db2.gz YYXDKKAVGZLWRW-UHFFFAOYSA-N -1 0 348.362 3.238 20 30 EGEDRM C[C@@H](CC#N)C(=O)N(C)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001592213444 977273613 /nfs/dbraw/zinc/27/36/13/977273613.db2.gz XQRBTZBBXLCAKQ-QPUJVOFHSA-N -1 0 329.183 3.127 20 30 EGEDRM C[C@@H](CC=NNC(=S)Nc1ccccc1C(F)(F)F)C(=O)[O-] ZINC001592470418 978221342 /nfs/dbraw/zinc/22/13/42/978221342.db2.gz IISOCVZHOPMFIF-QMMMGPOBSA-N -1 0 333.335 3.088 20 30 EGEDRM O=C([O-])c1ccc(N=NCc2cc(Cl)cc3cccnc32)nc1 ZINC000763367361 978720776 /nfs/dbraw/zinc/72/07/76/978720776.db2.gz BNLMTIVWSVHARV-UHFFFAOYSA-N -1 0 326.743 3.427 20 30 EGEDRM Cc1ccc(CN=Nc2ccc(C(=O)[O-])cn2)cc1Br ZINC000767900697 978736961 /nfs/dbraw/zinc/73/69/61/978736961.db2.gz LABJWTHSSRJTBO-UHFFFAOYSA-N -1 0 334.173 3.297 20 30 EGEDRM COc1ccc(C(=O)/C=C\c2ccc(O[C@@H](C)C(=O)[O-])cc2)cc1O ZINC000811699401 978855895 /nfs/dbraw/zinc/85/58/95/978855895.db2.gz TXEIZJBPFUNJMG-LRAPTIAOSA-N -1 0 342.347 3.149 20 30 EGEDRM Cc1ccc(NC(=S)NN=C2CC[C@H](CC(=O)[O-])[C@@H]2C)c(C)c1 ZINC000814706807 978875335 /nfs/dbraw/zinc/87/53/35/978875335.db2.gz FYIXSOJQKIPXDM-QWHCGFSZSA-N -1 0 333.457 3.467 20 30 EGEDRM CC[C@@H](CC(F)(F)F)C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001595038001 979207160 /nfs/dbraw/zinc/20/71/60/979207160.db2.gz BRSJBCJRDGCRNL-CMPLNLGQSA-N -1 0 329.274 3.206 20 30 EGEDRM CC[C@@H](CC(F)(F)F)C(=O)OCC#Cc1cccc(C(=O)[O-])c1 ZINC001595040112 979219911 /nfs/dbraw/zinc/21/99/11/979219911.db2.gz ZCWIPWYAFDKCNC-LBPRGKRZSA-N -1 0 328.286 3.258 20 30 EGEDRM CC[C@H](COC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)C(=O)[O-] ZINC001595184132 979826872 /nfs/dbraw/zinc/82/68/72/979826872.db2.gz WGHYNTLQVCIUIW-CYBMUJFWSA-N -1 0 340.335 3.013 20 30 EGEDRM CCC(CC)(CNc1cc(C#N)c(Br)cn1)C(=O)[O-] ZINC000900960968 980254182 /nfs/dbraw/zinc/25/41/82/980254182.db2.gz FDYQIPBCGUYBFZ-UHFFFAOYSA-N -1 0 326.194 3.019 20 30 EGEDRM Cc1cc(C#N)cc(C)c1CC(=O)NC1(CC(=O)[O-])CCCCC1 ZINC000902041503 980711188 /nfs/dbraw/zinc/71/11/88/980711188.db2.gz ADYYLOFLHGTMQK-UHFFFAOYSA-N -1 0 328.412 3.011 20 30 EGEDRM N#C[C@@]1(C(=O)NCCCCC2(C(=O)[O-])CCC2)CC2CCC1CC2 ZINC000908328316 981299600 /nfs/dbraw/zinc/29/96/00/981299600.db2.gz KVJYVNUQGRAFPF-ZOJXTTQQSA-N -1 0 332.444 3.248 20 30 EGEDRM C=C[C@](C)(CC)C(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000909138336 981426793 /nfs/dbraw/zinc/42/67/93/981426793.db2.gz XRMSMDDOOHSLGZ-LJQANCHMSA-N -1 0 326.396 3.353 20 30 EGEDRM C=C[C@@](C)(CC)C(=O)NC[C@@H](Cc1ccc(OCC)cc1)C(=O)[O-] ZINC000909169278 981430487 /nfs/dbraw/zinc/43/04/87/981430487.db2.gz CCNYOUTYXXYKGW-BEFAXECRSA-N -1 0 333.428 3.047 20 30 EGEDRM C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC000910250090 981821754 /nfs/dbraw/zinc/82/17/54/981821754.db2.gz ZOAJAHPJRUFOED-RDJZCZTQSA-N -1 0 325.364 3.458 20 30 EGEDRM CCCC[C@H](OC(=O)c1c(C)oc(-n2cccc2)c1C#N)C(=O)[O-] ZINC001595651191 982018723 /nfs/dbraw/zinc/01/87/23/982018723.db2.gz RWAAPJRUIGQRQZ-ZDUSSCGKSA-N -1 0 330.340 3.051 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1oc2ccccc2c1COC)C(=O)[O-] ZINC000910916395 982163430 /nfs/dbraw/zinc/16/34/30/982163430.db2.gz VQOUPMGEYSFNIF-AWEZNQCLSA-N -1 0 331.368 3.119 20 30 EGEDRM CC(=O)Nc1cccc(C(=O)/C=C\c2ccc(OCC(=O)[O-])cc2)c1 ZINC000916137908 982671620 /nfs/dbraw/zinc/67/16/20/982671620.db2.gz OSTHDUGZONENOL-YFHOEESVSA-N -1 0 339.347 3.005 20 30 EGEDRM CC[C@@](C)(C#N)C(=O)NC[C@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000923063673 982701988 /nfs/dbraw/zinc/70/19/88/982701988.db2.gz DGLZUDBYWIXTDE-JXFKEZNVSA-N -1 0 338.407 3.139 20 30 EGEDRM CC(C)(C(=O)[O-])c1ccc(NC(=O)[C@]2(C#N)CC23CCCC3)cc1 ZINC000923065107 982703981 /nfs/dbraw/zinc/70/39/81/982703981.db2.gz WDJPBIGESOCXLP-LJQANCHMSA-N -1 0 326.396 3.461 20 30 EGEDRM CC[C@@](CNC(=O)[C@@]1(C#N)CC12CCCC2)(C(=O)[O-])c1ccccc1 ZINC000923080566 982711434 /nfs/dbraw/zinc/71/14/34/982711434.db2.gz NARWMZVPKJUMKW-PMACEKPBSA-N -1 0 340.423 3.009 20 30 EGEDRM CC[C@@H](C)NN=Cc1ccc(OCc2ccc(C(=O)[O-])o2)c(OC)c1 ZINC001594994909 982885008 /nfs/dbraw/zinc/88/50/08/982885008.db2.gz RKDGRNWSKHKNFC-GFCCVEGCSA-N -1 0 346.383 3.287 20 30 EGEDRM C#C[C@H](C)Oc1ccc(COC(=O)Cc2cccc(C(=O)[O-])c2)cc1 ZINC001588369620 983316246 /nfs/dbraw/zinc/31/62/46/983316246.db2.gz RDWAKLWHASRRCX-AWEZNQCLSA-N -1 0 338.359 3.071 20 30 EGEDRM C#C[C@H](CCC)NC(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC001588370586 983320312 /nfs/dbraw/zinc/32/03/12/983320312.db2.gz IAOCMQCUQLJDAD-CQSZACIVSA-N -1 0 334.441 3.318 20 30 EGEDRM C#C[C@H](NC(=O)Nc1ccc(F)c(C(=O)[O-])c1)c1ccc(F)cc1 ZINC001588374468 983344527 /nfs/dbraw/zinc/34/45/27/983344527.db2.gz XSJGYYAFUBRRFT-HNNXBMFYSA-N -1 0 330.290 3.159 20 30 EGEDRM C#C[C@@H]1CCCN(C(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)C1 ZINC001588382711 983373709 /nfs/dbraw/zinc/37/37/09/983373709.db2.gz FPZIWWDMTMRNFY-LLVKDONJSA-N -1 0 332.425 3.202 20 30 EGEDRM C#CCC1(NC(=O)Nc2nc(CCC(=O)[O-])cs2)CCCCC1 ZINC001588427583 983456670 /nfs/dbraw/zinc/45/66/70/983456670.db2.gz DJSLWXUDRCYOCM-UHFFFAOYSA-N -1 0 335.429 3.008 20 30 EGEDRM C#CCC1(C(=O)Nc2nc(C(C)(C)C(=O)[O-])cs2)CCCCC1 ZINC001588427823 983458047 /nfs/dbraw/zinc/45/80/47/983458047.db2.gz NDAJNDGZYUQPAY-UHFFFAOYSA-N -1 0 334.441 3.418 20 30 EGEDRM C#CC[C@@H]1CCN(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)C1 ZINC001588433551 983467956 /nfs/dbraw/zinc/46/79/56/983467956.db2.gz AOQCOMZSFWZZBL-CQSZACIVSA-N -1 0 346.452 3.272 20 30 EGEDRM C#CCN(C(=O)Nc1cccc(C(=O)[O-])n1)[C@H]1CCCc2ccccc21 ZINC001588459572 983484908 /nfs/dbraw/zinc/48/49/08/983484908.db2.gz BWWIFBJXDIHPII-KRWDZBQOSA-N -1 0 349.390 3.325 20 30 EGEDRM C#CCN(C(=O)Cc1ccc(C(=O)[O-])cc1)[C@@H]1CCCc2ccccc21 ZINC001588460111 983487100 /nfs/dbraw/zinc/48/71/00/983487100.db2.gz SKPITLCESYMAAK-HXUWFJFHSA-N -1 0 347.414 3.467 20 30 EGEDRM C#CCN(C(=O)Nc1cccc(C(=O)[O-])c1Br)C(C)C ZINC001588460324 983487894 /nfs/dbraw/zinc/48/78/94/983487894.db2.gz YFASOXUBEDEFPG-UHFFFAOYSA-N -1 0 339.189 3.023 20 30 EGEDRM C#CCOc1cccc([C@H](C)OC(=O)c2ccc(C(=O)[O-])cc2F)c1 ZINC001588497803 983541697 /nfs/dbraw/zinc/54/16/97/983541697.db2.gz DCFKNHNVBKBRCL-LBPRGKRZSA-N -1 0 342.322 3.454 20 30 EGEDRM C#CCOc1cccc(-c2noc(Cc3cccc(C(=O)[O-])c3)n2)c1 ZINC001588497885 983542010 /nfs/dbraw/zinc/54/20/10/983542010.db2.gz IIVUWLZYPIYRFE-UHFFFAOYSA-N -1 0 334.331 3.038 20 30 EGEDRM C#Cc1ccccc1CC(=O)N[C@@]1(C(=O)[O-])CC[C@H](C)c2ccccc21 ZINC001588528962 983579255 /nfs/dbraw/zinc/57/92/55/983579255.db2.gz NEWHLCXKCYIGPY-NYHFZMIOSA-N -1 0 347.414 3.204 20 30 EGEDRM C=C(C)C[C@H](NC(=O)c1cc(-c2ccc(Cl)cc2)on1)C(=O)[O-] ZINC001588543282 983611376 /nfs/dbraw/zinc/61/13/76/983611376.db2.gz FKSMLEGKLFSLJF-ZDUSSCGKSA-N -1 0 334.759 3.144 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)c1ccc(Br)cc1Cl)C(=O)[O-] ZINC001588546425 983615500 /nfs/dbraw/zinc/61/55/00/983615500.db2.gz KUNJQAWTPKUHDO-LLVKDONJSA-N -1 0 346.608 3.252 20 30 EGEDRM C=C(C)CON=Cc1ccc(OCc2ccc(C(=O)[O-])o2)c(OC)c1 ZINC001588573238 983651730 /nfs/dbraw/zinc/65/17/30/983651730.db2.gz DZRLNPFIOSNKPO-UHFFFAOYSA-N -1 0 345.351 3.492 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N1CC(Cc2cccc(C(F)(F)F)c2)C1 ZINC001588612361 983702626 /nfs/dbraw/zinc/70/26/26/983702626.db2.gz ONAZAZRWKBFEOS-UHFFFAOYSA-N -1 0 341.329 3.127 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N[C@H](C)c1ccc(Br)cc1 ZINC001588618930 983713699 /nfs/dbraw/zinc/71/36/99/983713699.db2.gz FORLPABIFQMSIQ-SNVBAGLBSA-N -1 0 326.190 3.047 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H](C)c1nc2ccccc2n1C(C)C ZINC001588622377 983723358 /nfs/dbraw/zinc/72/33/58/983723358.db2.gz WSYSTMORUOILDL-ZDUSSCGKSA-N -1 0 329.400 3.215 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(Cl)cc1OCC(F)F ZINC001588629677 983738484 /nfs/dbraw/zinc/73/84/84/983738484.db2.gz QOIUMBSLXAVSAL-UHFFFAOYSA-N -1 0 333.718 3.343 20 30 EGEDRM C=C[C@@H](C(=O)Nc1cc(CCC(=O)[O-])ccc1O)c1ccccc1 ZINC001588664756 983803637 /nfs/dbraw/zinc/80/36/37/983803637.db2.gz VNBHJIYLYZEULV-OAHLLOKOSA-N -1 0 325.364 3.318 20 30 EGEDRM C=CC(C)(C)NC(=O)NCc1cccc(-c2nc(C(=O)[O-])cs2)c1 ZINC001588681121 983838419 /nfs/dbraw/zinc/83/84/19/983838419.db2.gz PPQLFWKJAKCTRI-UHFFFAOYSA-N -1 0 345.424 3.272 20 30 EGEDRM C=C[C@H](Sc1ncnc2c1cnn2-c1ccc(Cl)cc1)C(=O)[O-] ZINC001588714719 983952642 /nfs/dbraw/zinc/95/26/42/983952642.db2.gz LNDUKHVMJVDRRG-LBPRGKRZSA-N -1 0 346.799 3.200 20 30 EGEDRM C=CC1(CC(=O)N[C@](C)(CC(=O)[O-])c2cccnc2)CCCCC1 ZINC001588719207 983958771 /nfs/dbraw/zinc/95/87/71/983958771.db2.gz NDRBROSEYWUCNQ-GOSISDBHSA-N -1 0 330.428 3.414 20 30 EGEDRM C=CCC(F)(F)C(=O)N[C@@H](C[C@@H]1CCCc2ccccc21)C(=O)[O-] ZINC001588742474 984032941 /nfs/dbraw/zinc/03/29/41/984032941.db2.gz DTFMFIFPLMVPFA-ZFWWWQNUSA-N -1 0 337.366 3.277 20 30 EGEDRM C=CCC(F)(F)C(=O)NC[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC001588742536 984033162 /nfs/dbraw/zinc/03/31/62/984033162.db2.gz FYPIEQNYOHIURC-MRXNPFEDSA-N -1 0 347.361 3.411 20 30 EGEDRM C=CCC1(NC(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)CCOCC1 ZINC001588767038 984127589 /nfs/dbraw/zinc/12/75/89/984127589.db2.gz FXECYANUXVDIOI-CYBMUJFWSA-N -1 0 332.400 3.122 20 30 EGEDRM C=CCC1(NC(=O)c2[nH]c3ccccc3c2CC(=O)[O-])CCCC1 ZINC001588767250 984129498 /nfs/dbraw/zinc/12/94/98/984129498.db2.gz QOKYYQYYUYZSOM-UHFFFAOYSA-N -1 0 326.396 3.414 20 30 EGEDRM C=CC[C@H]1CCN1CC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](C)C2 ZINC001588772979 984145895 /nfs/dbraw/zinc/14/58/95/984145895.db2.gz SXWGFDSSASRFIF-RYUDHWBXSA-N -1 0 348.468 3.160 20 30 EGEDRM C=CC[C@H]1N(C(=O)NCc2ncc(C(=O)[O-])s2)CCCC1(C)C ZINC001588774102 984150962 /nfs/dbraw/zinc/15/09/62/984150962.db2.gz SVYISDLTVBHZBR-GFCCVEGCSA-N -1 0 337.445 3.118 20 30 EGEDRM C=CCCC(C)(C)CNC(=O)NCc1ccc(C(=O)[O-])c(OC)c1 ZINC001588776819 984153686 /nfs/dbraw/zinc/15/36/86/984153686.db2.gz IGTLWEWYRFFJJE-UHFFFAOYSA-N -1 0 334.416 3.185 20 30 EGEDRM C=CCC[C@@H](NC(=O)N1CCSC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC001588779493 984166324 /nfs/dbraw/zinc/16/63/24/984166324.db2.gz ZIYXIZQQKJTFSI-JKSUJKDBSA-N -1 0 348.468 3.153 20 30 EGEDRM C=CCCC1(CNC(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)CCCC1 ZINC001588782275 984171086 /nfs/dbraw/zinc/17/10/86/984171086.db2.gz SPBKQUCGONDCQK-OAHLLOKOSA-N -1 0 334.460 3.409 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1cc2cc(OC)ccc2nc1C)C(=O)[O-] ZINC001588792574 984210804 /nfs/dbraw/zinc/21/08/04/984210804.db2.gz KCJJPVCAECXICK-KRWDZBQOSA-N -1 0 342.395 3.091 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1cccc(OCC(F)(F)F)c1)C(=O)[O-] ZINC001588792819 984213165 /nfs/dbraw/zinc/21/31/65/984213165.db2.gz GCTYKLZOCQGVBE-ZDUSSCGKSA-N -1 0 345.317 3.167 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1cc(Cl)c(Cl)cc1N)C(=O)[O-] ZINC001588792827 984213713 /nfs/dbraw/zinc/21/37/13/984213713.db2.gz OBUOCNLIHVJDQZ-LBPRGKRZSA-N -1 0 331.199 3.115 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1c[nH]cc1-c1ccccc1F)C(=O)[O-] ZINC001588794066 984224048 /nfs/dbraw/zinc/22/40/48/984224048.db2.gz KNDOMQZIGZZKIW-INIZCTEOSA-N -1 0 330.359 3.360 20 30 EGEDRM C=CCCOCCCCC(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC001588810321 984266201 /nfs/dbraw/zinc/26/62/01/984266201.db2.gz IXOOGHCSEZVBLJ-HNNXBMFYSA-N -1 0 331.412 3.355 20 30 EGEDRM C=CCCOCCCCC(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001588810602 984268559 /nfs/dbraw/zinc/26/85/59/984268559.db2.gz ZZUPXKGHAAUIIS-UHFFFAOYSA-N -1 0 326.780 3.135 20 30 EGEDRM C=CCN(C(=O)Nc1ccc(SC)c(C(=O)[O-])c1)[C@H](C)COC ZINC001588820889 984287623 /nfs/dbraw/zinc/28/76/23/984287623.db2.gz YBLIKVUQNCOQFM-LLVKDONJSA-N -1 0 338.429 3.162 20 30 EGEDRM C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H]1CC=C(C(=O)[O-])C1 ZINC001588829360 984314061 /nfs/dbraw/zinc/31/40/61/984314061.db2.gz VNFJUWMNJVYYOM-NSHDSACASA-N -1 0 340.832 3.273 20 30 EGEDRM C=CCN(Cc1ccccc1F)C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001588831705 984316338 /nfs/dbraw/zinc/31/63/38/984316338.db2.gz KRIXPGGSBFQKFZ-HIFRSBDPSA-N -1 0 334.391 3.167 20 30 EGEDRM C=CCN(Cc1ccccc1F)C(=O)NCc1cc(C(=O)[O-])c(C)o1 ZINC001588831708 984316377 /nfs/dbraw/zinc/31/63/77/984316377.db2.gz KVRGPMOLHSRMEG-UHFFFAOYSA-N -1 0 346.358 3.323 20 30 EGEDRM C=CCN1C(=O)N[C@@H](c2ccc(C(C)(C)C#N)cc2)C(C(=O)[O-])=C1C ZINC001588832396 984322116 /nfs/dbraw/zinc/32/21/16/984322116.db2.gz LXYIVGDQECBCHW-INIZCTEOSA-N -1 0 339.395 3.099 20 30 EGEDRM C=CCN1C(=O)N[C@@H](c2ccc(SC)c(OC)c2)C(C(=O)[O-])=C1C ZINC001588836916 984330918 /nfs/dbraw/zinc/33/09/18/984330918.db2.gz MRTBMGGTCJRPSY-HNNXBMFYSA-N -1 0 348.424 3.028 20 30 EGEDRM C=CCNc1ncc(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)s1 ZINC001588849444 984371633 /nfs/dbraw/zinc/37/16/33/984371633.db2.gz QYEQCPQUBHHLIB-UHFFFAOYSA-N -1 0 337.788 3.345 20 30 EGEDRM C=CCOCCCC(=O)Oc1cccc2c(CC(=O)[O-])cccc12 ZINC001588866918 984428985 /nfs/dbraw/zinc/42/89/85/984428985.db2.gz TZAZIIBLZGEWOA-UHFFFAOYSA-N -1 0 328.364 3.355 20 30 EGEDRM C=CCOc1ccc(C(=O)N[C@@](C)(C(=O)[O-])c2ccc(F)cc2)cc1 ZINC001588869466 984438905 /nfs/dbraw/zinc/43/89/05/984438905.db2.gz CHHWBNOYPRYMCI-LJQANCHMSA-N -1 0 343.354 3.120 20 30 EGEDRM C=CCOc1ccc(CN2CCC(C#N)(C(=O)[O-])CC2)cc1Cl ZINC001588874009 984446905 /nfs/dbraw/zinc/44/69/05/984446905.db2.gz RFPFGOUNVFOOGZ-UHFFFAOYSA-N -1 0 334.803 3.095 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)/C=C/c1nccs1 ZINC001588882463 984462949 /nfs/dbraw/zinc/46/29/49/984462949.db2.gz UTVRAIGOPNGMKR-AATRIKPKSA-N -1 0 345.376 3.197 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)C[C@H](C)[C@H]1CCCO1 ZINC001588882415 984463148 /nfs/dbraw/zinc/46/31/48/984463148.db2.gz RVWCNLIJYMVTAP-SWLSCSKDSA-N -1 0 348.395 3.233 20 30 EGEDRM C=CCc1ccccc1OS(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC001588886444 984471827 /nfs/dbraw/zinc/47/18/27/984471827.db2.gz HXEXBSMHJPTFMS-UHFFFAOYSA-N -1 0 336.340 3.020 20 30 EGEDRM C=CCn1c(Cc2ccccc2)nnc1SC/C(C)=C\C(=O)[O-] ZINC001588904433 984529245 /nfs/dbraw/zinc/52/92/45/984529245.db2.gz ROGUFVRPHFDWRA-RAXLEYEMSA-N -1 0 329.425 3.178 20 30 EGEDRM C=CCn1cc2ccc(NC(=O)Cc3cccc(C(=O)[O-])c3)cc2n1 ZINC001588909063 984541874 /nfs/dbraw/zinc/54/18/74/984541874.db2.gz HKQSZFVORHFJSB-UHFFFAOYSA-N -1 0 335.363 3.102 20 30 EGEDRM C[C@H](CC(=O)[O-])NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 ZINC001599887190 984650300 /nfs/dbraw/zinc/65/03/00/984650300.db2.gz BFGCBUPENYXWDH-DYVFJYSZSA-N -1 0 337.379 3.327 20 30 EGEDRM Cc1[nH]c(-c2ccccc2)nc1C(=O)C=Cc1cccc(C(=O)[O-])n1 ZINC001599939665 985438379 /nfs/dbraw/zinc/43/83/79/985438379.db2.gz OEZZZJJRXZDXTE-KHPPLWFESA-N -1 0 333.347 3.374 20 30 EGEDRM Cc1c(C(=O)/C=C/c2ccc(/C=C/C(=O)[O-])o2)c(C#N)c2n1CCC2 ZINC001599974783 986071900 /nfs/dbraw/zinc/07/19/00/986071900.db2.gz IRYLPKKCJSXNPY-CDJQDVQCSA-N -1 0 336.347 3.201 20 30 EGEDRM CCOCc1cc(/C=C/C(=O)c2cc(C(=O)[O-])co2)ccc1OC ZINC001596946503 986098225 /nfs/dbraw/zinc/09/82/25/986098225.db2.gz SOBMLTXHLHAMRA-GQCTYLIASA-N -1 0 330.336 3.419 20 30 EGEDRM C[C@@H](C#N)Oc1ccccc1NC(=O)CCc1ccccc1C(=O)[O-] ZINC001589334738 986204769 /nfs/dbraw/zinc/20/47/69/986204769.db2.gz IMNXFSBQUPHVRU-ZDUSSCGKSA-N -1 0 338.363 3.247 20 30 EGEDRM C[C@@H](C#N)Oc1ccccc1NC(=O)c1ccc(C(=O)[O-])cc1F ZINC001589335947 986215167 /nfs/dbraw/zinc/21/51/67/986215167.db2.gz VBIMYPANGKGYDO-JTQLQIEISA-N -1 0 328.299 3.067 20 30 EGEDRM CCOc1ccc(C(=O)/C=C/c2ccoc2C(=O)[O-])cc1[N+](=O)[O-] ZINC001597056229 986541603 /nfs/dbraw/zinc/54/16/03/986541603.db2.gz YFUXVDPSUQUORU-HWKANZROSA-N -1 0 331.280 3.181 20 30 EGEDRM CCOc1ccc(O)c(C=Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)c1 ZINC001597129913 986842259 /nfs/dbraw/zinc/84/22/59/986842259.db2.gz JLFDVDJRYHHTMC-UHFFFAOYSA-N -1 0 344.323 3.456 20 30 EGEDRM CC(C)(C(=O)N[C@@H](CC1CCCCC1)C(=O)[O-])c1ccc(C#N)cc1 ZINC001589563554 987325231 /nfs/dbraw/zinc/32/52/31/987325231.db2.gz HFWLWCZQFCJHDD-KRWDZBQOSA-N -1 0 342.439 3.376 20 30 EGEDRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)Nc2cc(F)cc(C#N)c2)C1 ZINC001589611736 987467589 /nfs/dbraw/zinc/46/75/89/987467589.db2.gz VOONVYJMXNYWCY-GFCCVEGCSA-N -1 0 333.363 3.052 20 30 EGEDRM CC(C)(C)C#CC(=O)N[C@@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001589684951 987724701 /nfs/dbraw/zinc/72/47/01/987724701.db2.gz RRSFGPUOZRFSMB-ZDUSSCGKSA-N -1 0 341.329 3.387 20 30 EGEDRM CSc1ccc(NC(=O)c2ccccc2CC#N)cc1C(=O)[O-] ZINC001599818084 988462806 /nfs/dbraw/zinc/46/28/06/988462806.db2.gz YZSGGTKPMKIERF-UHFFFAOYSA-N -1 0 326.377 3.425 20 30 EGEDRM CCc1oc(C(=O)[O-])cc1COC(=O)C1(c2cccc(C#N)c2)CC1 ZINC001597767988 989228914 /nfs/dbraw/zinc/22/89/14/989228914.db2.gz IYYMSPDOLHBJSO-UHFFFAOYSA-N -1 0 339.347 3.187 20 30 EGEDRM CCn1cc(C(=O)/C=C/c2ccc(C(=O)[O-])cc2Br)cn1 ZINC001597874845 989684444 /nfs/dbraw/zinc/68/44/44/989684444.db2.gz CWRYYIMDLSYQQM-AATRIKPKSA-N -1 0 349.184 3.260 20 30 EGEDRM CC(C)(CCC#N)CNC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001590653717 990344651 /nfs/dbraw/zinc/34/46/51/990344651.db2.gz FSEUMNAFADRLSI-OAHLLOKOSA-N -1 0 345.443 3.468 20 30 EGEDRM CC(C)(CC=NNC(=S)Nc1ccccc1C(F)(F)F)C(=O)[O-] ZINC001590654107 990345326 /nfs/dbraw/zinc/34/53/26/990345326.db2.gz KAWPJQDRJAJISZ-UHFFFAOYSA-N -1 0 347.362 3.479 20 30 EGEDRM CN(Cc1c(Br)cccc1C(=O)[O-])CC(C)(C)C#N ZINC001598505257 992495281 /nfs/dbraw/zinc/49/52/81/992495281.db2.gz HBHHQHMPGARLKV-UHFFFAOYSA-N -1 0 325.206 3.129 20 30 EGEDRM C[C@H](NC(=S)NN=C1CCC[C@H](CCCC(=O)[O-])C1)C1CC1 ZINC001593190635 994124696 /nfs/dbraw/zinc/12/46/96/994124696.db2.gz TWCYIDSTSUNDGK-NWDGAFQWSA-N -1 0 325.478 3.050 20 30 EGEDRM COc1cccc(-c2n[nH]cc2C=CC(=O)c2cc(C(=O)[O-])co2)c1 ZINC001599639900 994342498 /nfs/dbraw/zinc/34/24/98/994342498.db2.gz BEDNZXYWBLLBLR-AATRIKPKSA-N -1 0 338.319 3.273 20 30 EGEDRM COc1cccc(C(=O)[O-])c1OC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC001599644000 994398929 /nfs/dbraw/zinc/39/89/29/994398929.db2.gz QXUPRHYXPYZTET-UHFFFAOYSA-N -1 0 337.331 3.168 20 30 EGEDRM COc1cccc([C@H](C(=O)[O-])N(C)CC#Cc2ccccc2Cl)c1 ZINC001599647706 994448981 /nfs/dbraw/zinc/44/89/81/994448981.db2.gz UPKZZCJFAKYOCM-GOSISDBHSA-N -1 0 343.810 3.458 20 30 EGEDRM COc1cccc([C@H](C(=O)[O-])N(C)Cc2ccc(Cl)cc2C#N)c1 ZINC001599651280 994504232 /nfs/dbraw/zinc/50/42/32/994504232.db2.gz VQQHNUVJRZNVSK-QGZVFWFLSA-N -1 0 344.798 3.478 20 30 EGEDRM C[C@@H](Nc1ccc(C(=O)[O-])nc1C#N)c1cc(F)ccc1N(C)C ZINC001593362444 995031953 /nfs/dbraw/zinc/03/19/53/995031953.db2.gz HSSBRUNGGJBCQI-SNVBAGLBSA-N -1 0 328.347 3.030 20 30 EGEDRM C[C@H](Nc1ncc(C#N)cc1Cl)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593373354 995065114 /nfs/dbraw/zinc/06/51/14/995065114.db2.gz BNPPAKGWCQDXDY-SMDDNHRTSA-N -1 0 329.787 3.351 20 30 EGEDRM C[C@H](SCC(=O)NC1(C(=O)[O-])CCCCC1)c1cccc(C#N)c1 ZINC001593659990 996037171 /nfs/dbraw/zinc/03/71/71/996037171.db2.gz ZOVUNEQWKLSXBM-ZDUSSCGKSA-N -1 0 346.452 3.256 20 30 EGEDRM C[C@@H](c1ccc(C(=O)[O-])o1)n1cc(CC2(C#N)CCCCC2)nn1 ZINC001593689249 996132020 /nfs/dbraw/zinc/13/20/20/996132020.db2.gz DGXLJUADGFOQIZ-LBPRGKRZSA-N -1 0 328.372 3.195 20 30 EGEDRM C[C@@]1(C#N)CCCN(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)C1 ZINC001593739477 996352952 /nfs/dbraw/zinc/35/29/52/996352952.db2.gz IIHJJHZJXOYZBO-DAYGRLMNSA-N -1 0 327.384 3.032 20 30 EGEDRM COc1ccc(C(=O)[O-])c(NC(=O)c2ccc(C#N)c(Cl)c2)c1F ZINC001599490441 996928349 /nfs/dbraw/zinc/92/83/49/996928349.db2.gz QMOYNNUZICPRTJ-UHFFFAOYSA-N -1 0 348.717 3.310 20 30 EGEDRM COc1cc(/C=C\C(=O)c2ccc(C(=O)[O-])cc2)ccc1[N+](=O)[O-] ZINC001599399020 997180543 /nfs/dbraw/zinc/18/05/43/997180543.db2.gz AKOPEZBOIZFUKC-OQFOIZHKSA-N -1 0 327.292 3.198 20 30 EGEDRM COc1ccc(/C=C\C(=O)[O-])cc1Oc1ccc(C#N)cc1[N+](=O)[O-] ZINC001599545365 997913217 /nfs/dbraw/zinc/91/32/17/997913217.db2.gz DQEMQYBEDDLDOR-DAXSKMNVSA-N -1 0 340.291 3.365 20 30 EGEDRM COc1c(NC(=O)c2cc3ccccc3n2CC#N)cccc1C(=O)[O-] ZINC001599343215 997956909 /nfs/dbraw/zinc/95/69/09/997956909.db2.gz WBZSAFIAOYVQHA-UHFFFAOYSA-N -1 0 349.346 3.124 20 30 EGEDRM C[C@@H]1[C@H](C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC001594172848 998663776 /nfs/dbraw/zinc/66/37/76/998663776.db2.gz HZJCEGPYHZOUIX-LSZYVWPRSA-N -1 0 335.359 3.277 20 30 EGEDRM C[C@H]1CC[C@@](NC(=O)CC#Cc2ccccc2)(C(=O)[O-])c2ccccc21 ZINC001594313848 999207808 /nfs/dbraw/zinc/20/78/08/999207808.db2.gz NEGDBWDWBIWZIF-AOMKIAJQSA-N -1 0 347.414 3.422 20 30 EGEDRM C[C@H]1CCN(C(=O)C2(c3ccc(C#N)cc3)CCCC2)[C@@H](C(=O)[O-])C1 ZINC001594395625 999490271 /nfs/dbraw/zinc/49/02/71/999490271.db2.gz RHBCWBUPCIZOPX-WMLDXEAASA-N -1 0 340.423 3.082 20 30 EGEDRM COc1cc(/C=C/c2nc(C(=O)[O-])ccc2C#N)cc(Cl)c1O ZINC000032815039 202235542 /nfs/dbraw/zinc/23/55/42/202235542.db2.gz IJJGMGVYFVLQII-DUXPYHPUSA-N -1 0 330.727 3.189 20 30 EGEDRM C=CCC(CC=C)C(=O)NCc1ccc(OCCCC(=O)[O-])cc1 ZINC000271886068 201246663 /nfs/dbraw/zinc/24/66/63/201246663.db2.gz AHMMQFDUZNDMKS-UHFFFAOYSA-N -1 0 331.412 3.315 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(-c3cccc(Cl)c3)on2)o1 ZINC000377530009 169036912 /nfs/dbraw/zinc/03/69/12/169036912.db2.gz KZHQOFUHUOIEMF-UHFFFAOYSA-N -1 0 349.755 3.260 20 30 EGEDRM Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)[N-]S(C)(=O)=O ZINC000093242177 218207348 /nfs/dbraw/zinc/20/73/48/218207348.db2.gz KCEJTTNVOXZWRX-UHFFFAOYSA-N -1 0 338.454 3.042 20 30 EGEDRM COc1cc(/C=C/C(=O)c2ccc(OCC(=O)[O-])cc2)cc(OC)c1 ZINC000006654395 258052238 /nfs/dbraw/zinc/05/22/38/258052238.db2.gz GKDHGHJSMQGLTN-FPYGCLRLSA-N -1 0 342.347 3.063 20 30 EGEDRM CCc1sc(C(=O)OCC([O-])=C(C#N)c2nc(C)cs2)cc1C ZINC000007837058 258053233 /nfs/dbraw/zinc/05/32/33/258053233.db2.gz DIKBINNYHMZEFP-LLVKDONJSA-N -1 0 348.449 3.417 20 30 EGEDRM Cc1[nH]nc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)c1C#N ZINC000351698650 144292143 /nfs/dbraw/zinc/29/21/43/144292143.db2.gz BWARXGHMJUHWBP-UHFFFAOYSA-N -1 0 344.440 3.438 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2c(-c3ccco3)nc3ccccn32)cc1[O-] ZINC000193655078 153299212 /nfs/dbraw/zinc/29/92/12/153299212.db2.gz BVQHVBAGXJKTAL-UHFFFAOYSA-N -1 0 344.330 3.424 20 30 EGEDRM N#Cc1cncc(S(=O)(=O)[N-]c2ccccc2Cc2ccccc2)c1 ZINC000327690076 154188613 /nfs/dbraw/zinc/18/86/13/154188613.db2.gz IZQCSDIOERXQRH-UHFFFAOYSA-N -1 0 349.415 3.345 20 30 EGEDRM Cc1cncc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)c1 ZINC000337140471 163142188 /nfs/dbraw/zinc/14/21/88/163142188.db2.gz QYTBVUQPKMUIPB-UHFFFAOYSA-N -1 0 341.314 3.081 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)c(F)c1 ZINC000340745526 163659206 /nfs/dbraw/zinc/65/92/06/163659206.db2.gz YXNWIBURXQUAAY-UHFFFAOYSA-N -1 0 346.717 3.430 20 30 EGEDRM CCOc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000345726479 164253453 /nfs/dbraw/zinc/25/34/53/164253453.db2.gz ZEWDNPRCQMGWIG-UHFFFAOYSA-N -1 0 336.800 3.411 20 30 EGEDRM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1c[nH]c2cccc(F)c21 ZINC000350969140 165087701 /nfs/dbraw/zinc/08/77/01/165087701.db2.gz DDMGOUVNFTZWRZ-UHFFFAOYSA-N -1 0 344.371 3.021 20 30 EGEDRM COc1ccc(C(=O)CSc2cccc(C#N)c2)c2occ([O-])c21 ZINC000351655101 165117972 /nfs/dbraw/zinc/11/79/72/165117972.db2.gz JAXOCVBQOGESIZ-UHFFFAOYSA-N -1 0 339.372 3.117 20 30 EGEDRM N#Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000353812653 165896182 /nfs/dbraw/zinc/89/61/82/165896182.db2.gz FXOOKHQRNWCPKM-UHFFFAOYSA-N -1 0 328.180 3.061 20 30 EGEDRM Cc1cc(Cl)cnc1[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000359465441 167164786 /nfs/dbraw/zinc/16/47/86/167164786.db2.gz GVRXVOQVOCYINI-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000360603822 167367296 /nfs/dbraw/zinc/36/72/96/167367296.db2.gz GFWKOJUWNGFOSM-UHFFFAOYSA-N -1 0 341.314 3.081 20 30 EGEDRM CCCc1c([N-]c2ncc([N+](=O)[O-])cn2)cnn1-c1cccc(C#N)c1 ZINC000364117449 167930119 /nfs/dbraw/zinc/93/01/19/167930119.db2.gz CQPHKMAZANUNLZ-UHFFFAOYSA-N -1 0 349.354 3.138 20 30 EGEDRM Cc1c([N-]S(=O)(=O)c2cncc(C#N)c2)onc1C1CCCCC1 ZINC000291000621 269906186 /nfs/dbraw/zinc/90/61/86/269906186.db2.gz VCRIFOTXWHIGID-UHFFFAOYSA-N -1 0 346.412 3.098 20 30 EGEDRM N#Cc1cnc2c(F)ccc(Cl)c2c1NCCCCCC(=O)[O-] ZINC000416427693 270047760 /nfs/dbraw/zinc/04/77/60/270047760.db2.gz NQPSJPNKNAGIAL-UHFFFAOYSA-N -1 0 335.766 3.378 20 30 EGEDRM Cc1cc([N+](=O)[O-])c(C)cc1[N-]S(=O)(=O)c1cc(C#N)ccc1C ZINC000188594232 267365035 /nfs/dbraw/zinc/36/50/35/267365035.db2.gz DJYPEYXQNIFOIZ-UHFFFAOYSA-N -1 0 345.380 3.193 20 30 EGEDRM Cn1cc(/C=C/c2nc(-c3ccccc3)ncc2C(=O)[O-])cc1C#N ZINC000195503816 267778499 /nfs/dbraw/zinc/77/84/99/267778499.db2.gz PUBWGEPUCQMWKT-BQYQJAHWSA-N -1 0 330.347 3.222 20 30 EGEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1nc2c(s1)CCC2(C)C ZINC000421236882 268030901 /nfs/dbraw/zinc/03/09/01/268030901.db2.gz VSTGEPAVKWZDMG-UHFFFAOYSA-N -1 0 347.465 3.348 20 30 EGEDRM N#Cc1cc(S(=O)(=O)[N-]c2ccccc2O)ccc1C(F)(F)F ZINC000443401200 268191801 /nfs/dbraw/zinc/19/18/01/268191801.db2.gz BRDRLIHAJMNNFL-UHFFFAOYSA-N -1 0 342.298 3.083 20 30 EGEDRM N#Cc1cnc(Sc2n[n-]c(=NC3CCCCC3)s2)c(F)c1 ZINC000413048751 268313886 /nfs/dbraw/zinc/31/38/86/268313886.db2.gz XAUJOKBSATTWIU-UHFFFAOYSA-N -1 0 335.433 3.262 20 30 EGEDRM Cc1cc(Cl)c2ncc(C#N)c(N3CCC[C@H](C(=O)[O-])C3)c2c1 ZINC000263376408 301285550 /nfs/dbraw/zinc/28/55/50/301285550.db2.gz BNLMWFWSFGNARP-NSHDSACASA-N -1 0 329.787 3.369 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cnc3ccccc3c2)c(F)c1 ZINC000158014895 307853949 /nfs/dbraw/zinc/85/39/49/307853949.db2.gz SURPPIUGWUANJI-UHFFFAOYSA-N -1 0 327.340 3.046 20 30 EGEDRM C[C@H](C(=O)N=c1[nH][n-]c(C2CC2)c1C#N)c1ccc2ccccc2c1 ZINC000564001613 316101911 /nfs/dbraw/zinc/10/19/11/316101911.db2.gz ZFMOJHHUXMDKHE-LBPRGKRZSA-N -1 0 330.391 3.476 20 30 EGEDRM CCc1cc(C#N)c([N-]S(=O)(=O)CCc2ccc(F)cc2)s1 ZINC000594725754 459142412 /nfs/dbraw/zinc/14/24/12/459142412.db2.gz JJSRIBXURVOYRI-UHFFFAOYSA-N -1 0 338.429 3.306 20 30 EGEDRM C=CCCC(=O)N(CCc1ccc(Cl)cc1Cl)CC(=O)[O-] ZINC000238118578 455254608 /nfs/dbraw/zinc/25/46/08/455254608.db2.gz VYPSPJACOKURFX-UHFFFAOYSA-N -1 0 330.211 3.415 20 30 EGEDRM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)C[C@H]3CCCO3)c2)c1 ZINC000238200020 455257998 /nfs/dbraw/zinc/25/79/98/455257998.db2.gz OEYKMSWERCUGIC-LJQANCHMSA-N -1 0 349.386 3.292 20 30 EGEDRM CCOc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000158069663 455264835 /nfs/dbraw/zinc/26/48/35/455264835.db2.gz FURSGHRHFAUNJV-UHFFFAOYSA-N -1 0 334.372 3.205 20 30 EGEDRM C=CCn1c(=O)c2ccc(C(=O)N3CCC[C@@H](C)C3)cc2[n-]c1=S ZINC000016642025 453617097 /nfs/dbraw/zinc/61/70/97/453617097.db2.gz RTQWQSKKGRJKSB-GFCCVEGCSA-N -1 0 343.452 3.117 20 30 EGEDRM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2ccccc2C#N)c1 ZINC000024102252 453725810 /nfs/dbraw/zinc/72/58/10/453725810.db2.gz ZWSDWITYHCLJGX-UHFFFAOYSA-N -1 0 346.408 3.156 20 30 EGEDRM Cc1c(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)cnn1C ZINC000066545555 453851226 /nfs/dbraw/zinc/85/12/26/453851226.db2.gz PCNGAOZLMHIMOE-AWEZNQCLSA-N -1 0 347.403 3.214 20 30 EGEDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)C1CCCCC1 ZINC000054488165 453932295 /nfs/dbraw/zinc/93/22/95/453932295.db2.gz KHLFORSROWXUKK-UHFFFAOYSA-N -1 0 326.374 3.129 20 30 EGEDRM Cc1c(C([O-])=C(C#N)c2cc(C)nc(C)n2)cnn1-c1cccc(C)c1 ZINC000041560620 453971929 /nfs/dbraw/zinc/97/19/29/453971929.db2.gz WKZSPIKVRARXJJ-QGZVFWFLSA-N -1 0 345.406 3.386 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(C)sc2C)n1 ZINC000067895744 453978820 /nfs/dbraw/zinc/97/88/20/453978820.db2.gz VFAHCHHEZIPPPY-LLVKDONJSA-N -1 0 334.422 3.488 20 30 EGEDRM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2C#N)c1 ZINC000055595034 453997291 /nfs/dbraw/zinc/99/72/91/453997291.db2.gz QNHXSUSYBKTKGQ-UHFFFAOYSA-N -1 0 343.408 3.016 20 30 EGEDRM O=C([N-]S(=O)(=O)C1CCCC1)[C@@H]1SCCc2ccccc21 ZINC000086056598 454041548 /nfs/dbraw/zinc/04/15/48/454041548.db2.gz NAKFOHWKHNHINN-CQSZACIVSA-N -1 0 325.455 3.246 20 30 EGEDRM N#Cc1ccc(CSCC(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000089530972 454160473 /nfs/dbraw/zinc/16/04/73/454160473.db2.gz ZFZSLHZMKGHPPM-UHFFFAOYSA-N -1 0 343.364 3.044 20 30 EGEDRM N#CCCN(CCC#N)C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000094037380 454182884 /nfs/dbraw/zinc/18/28/84/454182884.db2.gz PRPAROBKFQSOAC-UHFFFAOYSA-N -1 0 327.771 3.468 20 30 EGEDRM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000091054440 454372612 /nfs/dbraw/zinc/37/26/12/454372612.db2.gz SISBIPCKODSJRN-UHFFFAOYSA-N -1 0 349.343 3.023 20 30 EGEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000064479042 454485238 /nfs/dbraw/zinc/48/52/38/454485238.db2.gz LSCJQDXPHDZAQW-UHFFFAOYSA-N -1 0 340.763 3.160 20 30 EGEDRM O=C(C=Cc1ccnc(Cl)c1)[N-]S(=O)(=O)c1cccs1 ZINC000092692874 454611999 /nfs/dbraw/zinc/61/19/99/454611999.db2.gz YCVYCYMCACEVHV-ONEGZZNKSA-N -1 0 328.802 3.155 20 30 EGEDRM Cc1ccc(C)c2sc([N-]S(=O)(=O)c3ccc(C#N)cc3)nc21 ZINC000066249829 454671078 /nfs/dbraw/zinc/67/10/78/454671078.db2.gz QHDVOUFAJFAFLJ-UHFFFAOYSA-N -1 0 343.433 3.008 20 30 EGEDRM CCc1ncsc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000162009382 454745485 /nfs/dbraw/zinc/74/54/85/454745485.db2.gz JIZAWEAMOUUGOH-UHFFFAOYSA-N -1 0 327.818 3.031 20 30 EGEDRM C=C[C@@H](C)NC(=O)c1cc(Br)c([O-])c(Br)c1 ZINC000153861815 454841281 /nfs/dbraw/zinc/84/12/81/454841281.db2.gz XDGAWXMRLPQESI-ZCFIWIBFSA-N -1 0 349.022 3.222 20 30 EGEDRM CC(C)(C#N)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])cc1 ZINC000178479544 454956821 /nfs/dbraw/zinc/95/68/21/454956821.db2.gz FMULVYNVVFBXII-UHFFFAOYSA-N -1 0 325.324 3.354 20 30 EGEDRM N#CC(=C([O-])c1cccc2c1OCO2)c1nc(-c2ccncc2)cs1 ZINC000114620970 454964718 /nfs/dbraw/zinc/96/47/18/454964718.db2.gz AZKGYGMOFWNHRW-CYBMUJFWSA-N -1 0 349.371 3.424 20 30 EGEDRM CCC(CC)CN(CCC#N)C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000151934596 455051113 /nfs/dbraw/zinc/05/11/13/455051113.db2.gz GWRXTRIVZNTPEI-UHFFFAOYSA-N -1 0 340.427 3.370 20 30 EGEDRM C[C@H](Sc1ccccc1C(=O)NCC#Cc1ccccc1)C(=O)[O-] ZINC000237552838 455194204 /nfs/dbraw/zinc/19/42/04/455194204.db2.gz ZVEHHNBDDJYFAO-AWEZNQCLSA-N -1 0 339.416 3.033 20 30 EGEDRM C=C[C@H](CC(=O)NCc1ccc(OC)c(C(=O)[O-])c1)c1ccccc1 ZINC000190507331 455334741 /nfs/dbraw/zinc/33/47/41/455334741.db2.gz CRTUJYKQQKQBIM-OAHLLOKOSA-N -1 0 339.391 3.370 20 30 EGEDRM Cc1cccc(S(=O)(=O)[N-]c2cccc3ccn(C)c32)c1C#N ZINC000190849214 455390902 /nfs/dbraw/zinc/39/09/02/455390902.db2.gz VXHNULMUJYWRGM-UHFFFAOYSA-N -1 0 325.393 3.159 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)c2cnc3ccccc3n2)nn1C(C)(C)C ZINC000190965443 455415784 /nfs/dbraw/zinc/41/57/84/455415784.db2.gz KFAYZIFHOPHKNM-CYBMUJFWSA-N -1 0 333.395 3.380 20 30 EGEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cnoc1-c1ccccc1 ZINC000182487095 455522824 /nfs/dbraw/zinc/52/28/24/455522824.db2.gz QHVAJUMXFMRRQL-UHFFFAOYSA-N -1 0 339.376 3.323 20 30 EGEDRM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2C#N)cc1[N+](=O)[O-] ZINC000191911779 455531006 /nfs/dbraw/zinc/53/10/06/455531006.db2.gz FIAFVBNFLDPFKJ-UHFFFAOYSA-N -1 0 349.343 3.023 20 30 EGEDRM C=C[C@H](CC(=O)N[C@@]1(C(=O)[O-])C[C@@H](OCC)C1(C)C)c1ccccc1 ZINC000193030601 455737312 /nfs/dbraw/zinc/73/73/12/455737312.db2.gz SQSYRPJQDJJZEC-AKCHCHLHSA-N -1 0 345.439 3.121 20 30 EGEDRM C=CCC[C@@H](NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000193739262 455774229 /nfs/dbraw/zinc/77/42/29/455774229.db2.gz SFRYRDKVXBMSQF-CQSZACIVSA-N -1 0 327.340 3.133 20 30 EGEDRM CC(C)n1cc(C(=O)/C=C/c2ccc(O[C@@H](C)C(=O)[O-])cc2)cn1 ZINC000285308964 455821805 /nfs/dbraw/zinc/82/18/05/455821805.db2.gz YVAJSIRWCFFKEK-PPGNKHEKSA-N -1 0 328.368 3.212 20 30 EGEDRM COc1ccc([C@H]([N-]C(=O)C(F)C(F)(F)F)C(F)(F)F)cc1 ZINC000278430702 455836781 /nfs/dbraw/zinc/83/67/81/455836781.db2.gz RPBOSMOKCFJRDE-BDAKNGLRSA-N -1 0 333.203 3.315 20 30 EGEDRM Cc1c([N-]S(=O)(=O)c2ccccc2CC#N)cnn1C1CCCC1 ZINC000279894488 455876664 /nfs/dbraw/zinc/87/66/64/455876664.db2.gz IKDSLXIIVKHYFY-UHFFFAOYSA-N -1 0 344.440 3.174 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1[O-] ZINC000188251977 456030652 /nfs/dbraw/zinc/03/06/52/456030652.db2.gz YQMJEEMCVQDSMG-UHFFFAOYSA-N -1 0 349.390 3.142 20 30 EGEDRM COCCOc1ccc(NC(=O)c2ccc(C#N)c([O-])c2)cc1Cl ZINC000188354681 456049722 /nfs/dbraw/zinc/04/97/22/456049722.db2.gz AVPRIZLOXUUQAJ-UHFFFAOYSA-N -1 0 346.770 3.195 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2cccc(CN3CCCCC3=O)c2)cc1[O-] ZINC000188400490 456056203 /nfs/dbraw/zinc/05/62/03/456056203.db2.gz KJYPZLDLELYBHP-UHFFFAOYSA-N -1 0 349.390 3.029 20 30 EGEDRM C=CCC[C@H](NC(=O)CSCc1cccc(Cl)c1)C(=O)[O-] ZINC000262992952 456075860 /nfs/dbraw/zinc/07/58/60/456075860.db2.gz VJVOQUIIZLRGIZ-ZDUSSCGKSA-N -1 0 327.833 3.109 20 30 EGEDRM C=CCOC[C@@H](NC(=O)CC1CCC(c2ccccc2)CC1)C(=O)[O-] ZINC000263082303 456088865 /nfs/dbraw/zinc/08/88/65/456088865.db2.gz SBPBRDQRUUHFJD-VMWRSERWSA-N -1 0 345.439 3.123 20 30 EGEDRM CC(C)(C)c1[n-]n(CCCC2(C#N)CCOCC2)c(=O)c1CCC#N ZINC000281296445 456192585 /nfs/dbraw/zinc/19/25/85/456192585.db2.gz JOYIMBUKEYKKAX-UHFFFAOYSA-N -1 0 344.459 3.443 20 30 EGEDRM C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H](CCC)C(=O)[O-] ZINC000236881928 456195717 /nfs/dbraw/zinc/19/57/17/456195717.db2.gz NVPBZYZLCVJEEY-GFCCVEGCSA-N -1 0 345.317 3.253 20 30 EGEDRM N#C[C@]1(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC12CCCC2 ZINC000297399747 456209124 /nfs/dbraw/zinc/20/91/24/456209124.db2.gz FPMPFRKIVBCOJZ-HNNXBMFYSA-N -1 0 335.747 3.366 20 30 EGEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1nc2ccsc2s1 ZINC000344974167 456883491 /nfs/dbraw/zinc/88/34/91/456883491.db2.gz KBXBMJWEPRIDNR-UHFFFAOYSA-N -1 0 335.435 3.339 20 30 EGEDRM C[C@]1(c2ccc(CNC(=O)C3CCC(=O)CC3)cc2)NC(=O)NC1=O ZINC000329836859 456948462 /nfs/dbraw/zinc/94/84/62/456948462.db2.gz HZMILHZPPKSVNU-GOSISDBHSA-N -1 0 343.383 3.002 20 30 EGEDRM C=CCN1C(=O)c2ccccc2N[C@H]1c1[nH]nc2cc(C(=O)[O-])ccc21 ZINC000345434725 456978822 /nfs/dbraw/zinc/97/88/22/456978822.db2.gz JJYYIBSRZHGEIQ-QGZVFWFLSA-N -1 0 348.362 3.014 20 30 EGEDRM CCC(CC)n1nc(C([O-])=C(C#N)c2cc(C)nc(C)n2)cc1C ZINC000345661293 456985942 /nfs/dbraw/zinc/98/59/42/456985942.db2.gz LNZOKLTUFGUCPX-HNNXBMFYSA-N -1 0 325.416 3.450 20 30 EGEDRM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(C)c1F ZINC000358860931 457010040 /nfs/dbraw/zinc/01/00/40/457010040.db2.gz XRPWWCNSQSDQIH-UHFFFAOYSA-N -1 0 333.388 3.238 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccccc2-c2ccno2)cc1 ZINC000354238512 457148479 /nfs/dbraw/zinc/14/84/79/457148479.db2.gz PQXPIGWPGUDHHH-UHFFFAOYSA-N -1 0 325.349 3.014 20 30 EGEDRM CCC1CCC(NC(=O)c2cc(F)c([O-])c(F)c2)(C(=O)OC)CC1 ZINC000331241225 457152447 /nfs/dbraw/zinc/15/24/47/457152447.db2.gz QDXMOHRISDAWEF-UHFFFAOYSA-N -1 0 341.354 3.487 20 30 EGEDRM CC(C)(C)c1nn(-c2ccccc2)cc1C([O-])=C(C#N)c1ccncn1 ZINC000354467248 457242084 /nfs/dbraw/zinc/24/20/84/457242084.db2.gz KYNKLDXBLAYCDX-OAHLLOKOSA-N -1 0 345.406 3.450 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)N[C@H](C)c2c(C)cccc2C)cc1C#N ZINC000355175527 457345920 /nfs/dbraw/zinc/34/59/20/457345920.db2.gz UBDVOKBSJJCPDE-GFCCVEGCSA-N -1 0 341.436 3.489 20 30 EGEDRM CCc1nc(C)c([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)s1 ZINC000360800910 457360894 /nfs/dbraw/zinc/36/08/94/457360894.db2.gz ISXBGFJBBAPZIC-UHFFFAOYSA-N -1 0 341.845 3.340 20 30 EGEDRM Cc1cccc2[nH]c([C@@H](C#N)C(=O)c3n[nH]c4c3CCCCC4)nc21 ZINC000355547064 457386337 /nfs/dbraw/zinc/38/63/37/457386337.db2.gz LNIARSNFLDDYNX-ZDUSSCGKSA-N -1 0 333.395 3.353 20 30 EGEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1noc2cc(Cl)ccc21 ZINC000342633897 457417465 /nfs/dbraw/zinc/41/74/65/457417465.db2.gz GDMPWGRDQKVHDS-UHFFFAOYSA-N -1 0 347.783 3.462 20 30 EGEDRM C=CCOc1ccc(/C=C\c2nc(C(=O)[O-])ccc2C#N)cc1OC ZINC000356215598 457539615 /nfs/dbraw/zinc/53/96/15/457539615.db2.gz JOXVQBBDFIWLNU-DAXSKMNVSA-N -1 0 336.347 3.395 20 30 EGEDRM N#CC1(c2ccccn2)CCN(C(=O)c2cc(O)ccc2Cl)CC1 ZINC000368107516 458012024 /nfs/dbraw/zinc/01/20/24/458012024.db2.gz FQLKHKDXLACIBV-UHFFFAOYSA-N -1 0 341.798 3.138 20 30 EGEDRM C=CCN=c1[n-]nc(SCc2nccn2-c2ccccc2)s1 ZINC000434643064 458027520 /nfs/dbraw/zinc/02/75/20/458027520.db2.gz OYINYCWICZTFMB-UHFFFAOYSA-N -1 0 329.454 3.036 20 30 EGEDRM Cn1nc2ccccc2c1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000362173805 458038872 /nfs/dbraw/zinc/03/88/72/458038872.db2.gz ZDRQZWKYFJEJTQ-LBPRGKRZSA-N -1 0 344.296 3.477 20 30 EGEDRM CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2cccc3c2OCC3)cc1 ZINC000421155791 458408378 /nfs/dbraw/zinc/40/83/78/458408378.db2.gz ORRQYOFXEDJJNL-UHFFFAOYSA-N -1 0 342.420 3.223 20 30 EGEDRM COc1ccc(CN=c2[n-]nc(S[C@H]3CC[C@H](C#N)C3)s2)cc1 ZINC000450779356 458456683 /nfs/dbraw/zinc/45/66/83/458456683.db2.gz WETADXJRYICVHJ-JSGCOSHPSA-N -1 0 346.481 3.365 20 30 EGEDRM N#CCC1(CS(=O)(=O)[N-]CC(F)(F)c2ccc(Cl)cc2)CC1 ZINC000451532629 458481009 /nfs/dbraw/zinc/48/10/09/458481009.db2.gz KYNZVOROULTKSQ-UHFFFAOYSA-N -1 0 348.802 3.045 20 30 EGEDRM C=CCCO[C@@H](C)C(=O)N[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000455941909 458623712 /nfs/dbraw/zinc/62/37/12/458623712.db2.gz YKAULLXBIHMJHD-GXFFZTMASA-N -1 0 345.317 3.086 20 30 EGEDRM CC(C)C[C@H](CNC(=O)Nc1cc(C#N)ccc1OC(C)C)C(=O)[O-] ZINC000424476353 458647670 /nfs/dbraw/zinc/64/76/70/458647670.db2.gz UGSYZVKYBNIHFW-CQSZACIVSA-N -1 0 347.415 3.214 20 30 EGEDRM CC(C)(C)OC(=O)N[C@H]1CCCC1N=Nc1cccc(C(=O)[O-])c1 ZINC000494693024 458730610 /nfs/dbraw/zinc/73/06/10/458730610.db2.gz GYUBWFPBWJHMNN-ZDUSSCGKSA-N -1 0 333.388 3.230 20 30 EGEDRM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccccc1Cl ZINC000439624292 458732971 /nfs/dbraw/zinc/73/29/71/458732971.db2.gz VGSLHWGDIYCETA-UHFFFAOYSA-N -1 0 335.816 3.444 20 30 EGEDRM CC(C)(C)OC(=O)NC1(C/N=C\c2cc([N+](=O)[O-])ccc2[O-])CCC1 ZINC000495136857 458803122 /nfs/dbraw/zinc/80/31/22/458803122.db2.gz DHZUQFCDYHHJON-ZDLGFXPLSA-N -1 0 349.387 3.167 20 30 EGEDRM C=CCn1cccc1C(=O)N=c1[n-]nc(-c2cc(F)ccc2C)s1 ZINC000473411371 458827226 /nfs/dbraw/zinc/82/72/26/458827226.db2.gz OJYYSGZIVNUJKQ-UHFFFAOYSA-N -1 0 342.399 3.314 20 30 EGEDRM C=C(C)C[C@@H](C)C(=O)N=c1nc(Cc2ccc(F)cc2F)[n-]s1 ZINC000466738192 458917683 /nfs/dbraw/zinc/91/76/83/458917683.db2.gz RFKWPXXMXAEWMH-SNVBAGLBSA-N -1 0 337.395 3.370 20 30 EGEDRM N#CCc1ccnc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)c1 ZINC000531653413 458953555 /nfs/dbraw/zinc/95/35/55/458953555.db2.gz WRRXKEXRNLWOIM-UHFFFAOYSA-N -1 0 342.207 3.255 20 30 EGEDRM CC1(C)Cc2cc([N-]S(=O)(=O)c3ccc(C#N)cc3F)ccc2O1 ZINC000531836296 458987365 /nfs/dbraw/zinc/98/73/65/458987365.db2.gz DMNCBXSTKGPAKL-UHFFFAOYSA-N -1 0 346.383 3.212 20 30 EGEDRM CC(C)CN=c1[n-]nc(SCCCOc2cccc(C#N)c2)s1 ZINC000477529073 459048249 /nfs/dbraw/zinc/04/82/49/459048249.db2.gz YJAURQMWQZFFKA-UHFFFAOYSA-N -1 0 348.497 3.461 20 30 EGEDRM C[C@@H](NC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1ccc(C#N)cc1 ZINC000594522944 459079896 /nfs/dbraw/zinc/07/98/96/459079896.db2.gz MOAUVXIGNJVYSW-AVRGHOLYSA-N -1 0 343.427 3.054 20 30 EGEDRM CCc1ccc(S(=O)(=O)[N-]c2cc(CC#N)ccn2)cc1CC ZINC000535231243 459354788 /nfs/dbraw/zinc/35/47/88/459354788.db2.gz ZVNWGNGILCAVSL-UHFFFAOYSA-N -1 0 329.425 3.073 20 30 EGEDRM Cc1cc(=NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)[n-]nc1C ZINC000524487495 459366382 /nfs/dbraw/zinc/36/63/82/459366382.db2.gz MYGTWDKIXWTCJH-UHFFFAOYSA-N -1 0 344.374 3.432 20 30 EGEDRM C=CCOc1ccc(C(=O)Nc2cc(C(C)=O)ccc2[O-])cc1OC ZINC000538650794 459372000 /nfs/dbraw/zinc/37/20/00/459372000.db2.gz ZLXOCCNMQWFWBU-UHFFFAOYSA-N -1 0 341.363 3.421 20 30 EGEDRM C=CCC[C@@H](NC(=O)N[C@@H](C)c1ccccc1OC(F)F)C(=O)[O-] ZINC000568963404 459372827 /nfs/dbraw/zinc/37/28/27/459372827.db2.gz FCJZXIIMVBRDCH-CMPLNLGQSA-N -1 0 342.342 3.068 20 30 EGEDRM C=CCC[C@H](NC(=O)N[C@@H](C)c1ccccc1OC(F)F)C(=O)[O-] ZINC000568963405 459373282 /nfs/dbraw/zinc/37/32/82/459373282.db2.gz FCJZXIIMVBRDCH-JQWIXIFHSA-N -1 0 342.342 3.068 20 30 EGEDRM N#CC1(CC(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])CCCCC1 ZINC000596003082 459493612 /nfs/dbraw/zinc/49/36/12/459493612.db2.gz PFWVGRCYZFSHKH-KRWDZBQOSA-N -1 0 326.396 3.061 20 30 EGEDRM N#CC1(CC(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])CCCCC1 ZINC000596003083 459493815 /nfs/dbraw/zinc/49/38/15/459493815.db2.gz PFWVGRCYZFSHKH-QGZVFWFLSA-N -1 0 326.396 3.061 20 30 EGEDRM CCOC(=O)c1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)nc1 ZINC000592402005 459594796 /nfs/dbraw/zinc/59/47/96/459594796.db2.gz KVDOPSVDLBJTHZ-LBPRGKRZSA-N -1 0 341.392 3.082 20 30 EGEDRM C=CCC[C@H](NC(=O)Nc1ccc(OC(C)C)c(OC)c1)C(=O)[O-] ZINC000573682885 459717374 /nfs/dbraw/zinc/71/73/74/459717374.db2.gz IDIQGWMBRQKUNR-ZDUSSCGKSA-N -1 0 336.388 3.023 20 30 EGEDRM C=CCOc1ccccc1CNC(=O)N(CCC)[C@H](CC)C(=O)[O-] ZINC000563772126 459768168 /nfs/dbraw/zinc/76/81/68/459768168.db2.gz DAZSCVZNWFHUDW-OAHLLOKOSA-N -1 0 334.416 3.036 20 30 EGEDRM C[C@@H]1CCn2ncc(C([O-])=C(C#N)c3ccc(C(F)(F)F)cn3)c2C1 ZINC000574039531 459771989 /nfs/dbraw/zinc/77/19/89/459771989.db2.gz RIVFGQMCRRXWOE-PWSUYJOCSA-N -1 0 348.328 3.369 20 30 EGEDRM N#CCCC[C@@H](NC(=O)N1CCC[C@@H](CC(=O)[O-])C1)c1ccccc1 ZINC000564713474 459775717 /nfs/dbraw/zinc/77/57/17/459775717.db2.gz QTFMEAPFRJMURU-DOTOQJQBSA-N -1 0 343.427 3.318 20 30 EGEDRM CC(C)CCOc1ccc(=NC(=O)N(CCC#N)CCC(C)C)[n-]n1 ZINC000597082122 459833088 /nfs/dbraw/zinc/83/30/88/459833088.db2.gz AVJVOJMIHZXDQG-UHFFFAOYSA-N -1 0 347.463 3.117 20 30 EGEDRM CCCOc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000574669435 459852684 /nfs/dbraw/zinc/85/26/84/459852684.db2.gz PQPKOGGUOHEHHN-UHFFFAOYSA-N -1 0 340.788 3.394 20 30 EGEDRM C[C@H](NC(=O)Nc1ccc(C#N)cc1Cl)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000593955886 460026720 /nfs/dbraw/zinc/02/67/20/460026720.db2.gz FAOCEQCIIGCJCM-ZMLRMANQSA-N -1 0 349.818 3.469 20 30 EGEDRM CCOc1cc(-c2noc(-c3cccc(C#N)n3)n2)cc(Cl)c1[O-] ZINC000589368450 460080063 /nfs/dbraw/zinc/08/00/63/460080063.db2.gz QYXVTNJBRVSEOB-UHFFFAOYSA-N -1 0 342.742 3.428 20 30 EGEDRM Cc1ccc2[nH]c([C@H]3CCCN3C(=O)c3cc(O)cc(C#N)c3)nc2c1 ZINC000614369197 460117619 /nfs/dbraw/zinc/11/76/19/460117619.db2.gz HBOVHJOXGIHEGL-GOSISDBHSA-N -1 0 346.390 3.426 20 30 EGEDRM Cn1cc(C#N)c(=NC(=O)N[C@@H](c2ccc(Cl)cc2)C2CCC2)[n-]1 ZINC000610564803 460185470 /nfs/dbraw/zinc/18/54/70/460185470.db2.gz WHIIYJVFNCGWSE-OAHLLOKOSA-N -1 0 343.818 3.030 20 30 EGEDRM N#C[C@@H](c1ccccc1)N1CCN(Cc2cc(O)ccc2Cl)CC1 ZINC000599330060 460230154 /nfs/dbraw/zinc/23/01/54/460230154.db2.gz USVZKEHVNGIZCV-IBGZPJMESA-N -1 0 341.842 3.428 20 30 EGEDRM N#Cc1ccc(CSc2n[n-]c(=NCc3nccs3)s2)cc1 ZINC000619205957 460301804 /nfs/dbraw/zinc/30/18/04/460301804.db2.gz SEBRAGIEPPYUEO-UHFFFAOYSA-N -1 0 345.478 3.193 20 30 EGEDRM CCOC(=O)c1sc([N-]C(=O)c2cc(C3CC3)no2)c(C#N)c1C ZINC000619647751 460403081 /nfs/dbraw/zinc/40/30/81/460403081.db2.gz OXKJGNSAAOJYBJ-UHFFFAOYSA-N -1 0 345.380 3.223 20 30 EGEDRM CC(C)(C)Oc1ccc(NC(=O)CC2(C(=O)[O-])CCC2)cc1C#N ZINC000601996883 460979034 /nfs/dbraw/zinc/97/90/34/460979034.db2.gz YXAGGZOPLIYQKV-UHFFFAOYSA-N -1 0 330.384 3.319 20 30 EGEDRM C=CC[C@@H](CC)NC(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC000630290580 461085997 /nfs/dbraw/zinc/08/59/97/461085997.db2.gz YYCAIUQOSYCTJF-GFCCVEGCSA-N -1 0 326.190 3.232 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)c1ccc(OC)c(OC2CCCC2)c1)C(=O)[O-] ZINC000630319579 461093812 /nfs/dbraw/zinc/09/38/12/461093812.db2.gz CTIQJYUYZSGHBQ-OAHLLOKOSA-N -1 0 347.411 3.166 20 30 EGEDRM C=C(C)C[C@H](NC(=O)c1csc(Cc2ccc(C)cc2)n1)C(=O)[O-] ZINC000630319428 461094192 /nfs/dbraw/zinc/09/41/92/461094192.db2.gz AJNJOHFWQIFVMW-AWEZNQCLSA-N -1 0 344.436 3.192 20 30 EGEDRM C=C(C)C[C@H](NC(=O)CCc1ccccc1C(F)(F)F)C(=O)[O-] ZINC000630322685 461094692 /nfs/dbraw/zinc/09/46/92/461094692.db2.gz UTVLIIYHVPYFJC-ZDUSSCGKSA-N -1 0 329.318 3.174 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)c1sc(Cc2ccccc2)nc1C)C(=O)[O-] ZINC000630323958 461095749 /nfs/dbraw/zinc/09/57/49/461095749.db2.gz CIKPYCGZUNFBKC-CQSZACIVSA-N -1 0 344.436 3.192 20 30 EGEDRM C=CCOc1ccccc1CNC(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000659398543 461331793 /nfs/dbraw/zinc/33/17/93/461331793.db2.gz ULAQHCSTUZUDLG-UHFFFAOYSA-N -1 0 346.427 3.038 20 30 EGEDRM C=C[C@H](CC(=O)N=c1nc(C(C)(C)OC)[n-]s1)c1ccccc1 ZINC000634151799 461445245 /nfs/dbraw/zinc/44/52/45/461445245.db2.gz LHNUXPIBFJQVNL-GFCCVEGCSA-N -1 0 331.441 3.140 20 30 EGEDRM O=C([O-])c1ccc(C(=O)Nc2cccc(C#Cc3cccs3)c2)nc1 ZINC000642209455 461472033 /nfs/dbraw/zinc/47/20/33/461472033.db2.gz QQCSSRCNYFGLSV-UHFFFAOYSA-N -1 0 348.383 3.493 20 30 EGEDRM Cc1cccc(-n2cc(C([O-])=C(C#N)c3nc(C4CC4)cs3)nn2)c1 ZINC000647377294 461667172 /nfs/dbraw/zinc/66/71/72/461667172.db2.gz AXZPKDZNRYZNJE-CQSZACIVSA-N -1 0 349.419 3.400 20 30 EGEDRM C=CCCOCC(=O)N[C@@H](CC(=O)[O-])c1ccc2ccccc2c1 ZINC000648342234 462070735 /nfs/dbraw/zinc/07/07/35/462070735.db2.gz UDAFEOJLQACNLO-KRWDZBQOSA-N -1 0 327.380 3.065 20 30 EGEDRM N#CC(=C([O-])c1cc2n(n1)CCCC2)c1nc2cc(F)ccc2s1 ZINC000651639358 462285523 /nfs/dbraw/zinc/28/55/23/462285523.db2.gz FFSLVSPGCUDQRK-LBPRGKRZSA-N -1 0 340.383 3.458 20 30 EGEDRM C=CCC[C@H](NC(=O)N[C@@H]1CCSc2ccc(F)cc21)C(=O)[O-] ZINC000654793836 462385162 /nfs/dbraw/zinc/38/51/62/462385162.db2.gz MUMCZQROJXCLQC-OLZOCXBDSA-N -1 0 338.404 3.081 20 30 EGEDRM C=CCC[C@@H](NC(=O)NCc1ccc(C(F)(F)F)cc1C)C(=O)[O-] ZINC000654813140 462389767 /nfs/dbraw/zinc/38/97/67/462389767.db2.gz BGKOYWNDXZQJDO-CYBMUJFWSA-N -1 0 344.333 3.232 20 30 EGEDRM CCn1c2cc(C([O-])=C(C#N)c3nc(C)cs3)ccc2[nH]c1=O ZINC000654968585 462432950 /nfs/dbraw/zinc/43/29/50/462432950.db2.gz CWXNYQUDJWNLTP-LLVKDONJSA-N -1 0 326.381 3.017 20 30 EGEDRM CCCCS(=O)(=O)[N-]C(=O)CCC(=O)c1ccc(F)cc1F ZINC000048556304 520922143 /nfs/dbraw/zinc/92/21/43/520922143.db2.gz CIDULENLUONQAH-UHFFFAOYSA-N -1 0 333.356 3.014 20 30 EGEDRM Cc1noc(C(F)F)c1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000673811816 548632716 /nfs/dbraw/zinc/63/27/16/548632716.db2.gz MAKHONRVBFQIMJ-VIFPVBQESA-N -1 0 330.294 3.297 20 30 EGEDRM CCOc1nc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)co1 ZINC000681353137 549985331 /nfs/dbraw/zinc/98/53/31/549985331.db2.gz WWHOGBJCOJEOFC-SECBINFHSA-N -1 0 346.293 3.308 20 30 EGEDRM C=CC[C@H](C(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1)c1ccccc1 ZINC000681656256 550023540 /nfs/dbraw/zinc/02/35/40/550023540.db2.gz ACFPMURPNGKPAV-INIZCTEOSA-N -1 0 335.363 3.328 20 30 EGEDRM CCCCCCCCCC(=O)[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000726348174 574550034 /nfs/dbraw/zinc/55/00/34/574550034.db2.gz ALVGFLZCXGPTOV-OAHLLOKOSA-N -1 0 333.494 3.142 20 30 EGEDRM Cc1cc(NC(=O)CSc2ccc(C#N)cc2)ccc1C(=O)[O-] ZINC000738431861 574666534 /nfs/dbraw/zinc/66/65/34/574666534.db2.gz TVEKCJAQUYGESZ-UHFFFAOYSA-N -1 0 326.377 3.296 20 30 EGEDRM O=C([O-])C(=O)/C(=C/c1ccc2c(c1)CCO2)c1ccc2ccccc2n1 ZINC000728156969 574722901 /nfs/dbraw/zinc/72/29/01/574722901.db2.gz PMPBRPFSMVQQDO-FOWTUZBSSA-N -1 0 345.354 3.364 20 30 EGEDRM C[C@H](Oc1cccc(C(=O)/C=C\c2cccnc2Cl)c1)C(=O)[O-] ZINC000728697383 574767300 /nfs/dbraw/zinc/76/73/00/574767300.db2.gz OUPMLAAKGKGYFL-TVRMLOFPSA-N -1 0 331.755 3.483 20 30 EGEDRM C[C@H](Oc1cccc(C(=O)/C=C2\COc3ccc(F)cc32)c1)C(=O)[O-] ZINC000729148500 574818698 /nfs/dbraw/zinc/81/86/98/574818698.db2.gz AQWGSUNPECEWKY-ZWSXMNCCSA-N -1 0 342.322 3.336 20 30 EGEDRM Cc1ccc2c(Cl)c(C([O-])=C(C#N)C(=O)NC3CC3)sc2c1 ZINC000729187554 574821890 /nfs/dbraw/zinc/82/18/90/574821890.db2.gz DWOOWVSNZQNGFD-NSHDSACASA-N -1 0 332.812 3.464 20 30 EGEDRM O=C([O-])c1cc(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)cs1 ZINC000730149150 574925940 /nfs/dbraw/zinc/92/59/40/574925940.db2.gz UAHTYLAWFMQYFR-ZZXKWVIFSA-N -1 0 343.404 3.179 20 30 EGEDRM C[C@H](C#N)CSc1ccccc1[N-]C(=S)NC1CCOCC1 ZINC000730954530 575040053 /nfs/dbraw/zinc/04/00/53/575040053.db2.gz BKYUELWHCUNNMN-GFCCVEGCSA-N -1 0 335.498 3.404 20 30 EGEDRM COc1ccc(C(=O)/C=C/c2cccc(OCC(=O)[O-])c2)c(F)c1 ZINC000733205123 575319846 /nfs/dbraw/zinc/31/98/46/575319846.db2.gz LDGQEJPDZIXCGL-VMPITWQZSA-N -1 0 330.311 3.194 20 30 EGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)c1ccn(C(C)C)n1 ZINC000733680527 575380026 /nfs/dbraw/zinc/38/00/26/575380026.db2.gz WEHAUZCREPELSG-CQSZACIVSA-N -1 0 334.379 3.459 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)C=C2CCC(C)CC2)n1 ZINC000734204094 575457509 /nfs/dbraw/zinc/45/75/09/575457509.db2.gz ITQXWQIKBZBVJU-SBXXRYSUSA-N -1 0 332.425 3.308 20 30 EGEDRM CCCCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000735202918 575620765 /nfs/dbraw/zinc/62/07/65/575620765.db2.gz IYDLPVVQIAAQFI-OAHLLOKOSA-N -1 0 336.457 3.360 20 30 EGEDRM C=CCCCOC(=O)c1cc2ccccc2cc1[N-]S(C)(=O)=O ZINC000735526714 575673836 /nfs/dbraw/zinc/67/38/36/575673836.db2.gz AHGGWBVHYGWXRL-UHFFFAOYSA-N -1 0 333.409 3.334 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)/C=C\C2CCCCC2)n1 ZINC000735562294 575680642 /nfs/dbraw/zinc/68/06/42/575680642.db2.gz LOBJESGNQVHXEJ-WBTMPAOCSA-N -1 0 332.425 3.308 20 30 EGEDRM C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H](NC(=O)[O-])C(C)C ZINC000736108757 575897437 /nfs/dbraw/zinc/89/74/37/575897437.db2.gz RMVYDOSOSLSEST-LBPRGKRZSA-N -1 0 330.837 3.208 20 30 EGEDRM C=CCN(Cc1cccs1)C(=O)[C@H](C)S[C@H](C)CC(=O)[O-] ZINC000736108940 575897594 /nfs/dbraw/zinc/89/75/94/575897594.db2.gz XCZAXPZXGNGOMR-NEPJUHHUSA-N -1 0 327.471 3.248 20 30 EGEDRM C=CCn1c(S[C@@H](C(=O)[O-])c2ccc(C#N)cc2)nnc1C1CC1 ZINC000736118490 575901317 /nfs/dbraw/zinc/90/13/17/575901317.db2.gz UESMRPDLAOXZRL-CQSZACIVSA-N -1 0 340.408 3.131 20 30 EGEDRM CC(C)CNc1nnc(S[C@H](C(=O)[O-])c2ccc(C#N)cc2)s1 ZINC000736440625 575962875 /nfs/dbraw/zinc/96/28/75/575962875.db2.gz RMXHDMVIJPZDAR-LBPRGKRZSA-N -1 0 348.453 3.396 20 30 EGEDRM CC(C)c1nc(C#N)c(N=NCc2c[nH]c3ccc(C(=O)[O-])cc23)o1 ZINC000736522862 575976927 /nfs/dbraw/zinc/97/69/27/575976927.db2.gz JVILGPKQHWBWSD-UHFFFAOYSA-N -1 0 337.339 3.295 20 30 EGEDRM C[C@@H](Cc1ccccc1F)C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736628524 575995692 /nfs/dbraw/zinc/99/56/92/575995692.db2.gz YUTCWPWJZJGHQE-YVEFUNNKSA-N -1 0 341.338 3.245 20 30 EGEDRM C[C@@H](NC(=O)Nc1ccc(CNC(=O)[O-])cc1)c1ccc(C#N)cc1 ZINC000736648565 575996107 /nfs/dbraw/zinc/99/61/07/575996107.db2.gz GDMNLFLFICGNED-GFCCVEGCSA-N -1 0 338.367 3.209 20 30 EGEDRM CC[C@](C)(NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1)C(=O)[O-] ZINC000736861722 576050962 /nfs/dbraw/zinc/05/09/62/576050962.db2.gz UMEVPYHTVDJASC-IBGZPJMESA-N -1 0 337.379 3.285 20 30 EGEDRM CCCNc1nnc(S[C@H](C(=O)[O-])c2ccc(C#N)cc2)s1 ZINC000737030426 576084981 /nfs/dbraw/zinc/08/49/81/576084981.db2.gz XGTQAUHYCNWVDP-NSHDSACASA-N -1 0 334.426 3.150 20 30 EGEDRM COc1ccc(CNc2cc(C#N)c3ccccc3n2)cc1C(=O)[O-] ZINC000738008141 576280278 /nfs/dbraw/zinc/28/02/78/576280278.db2.gz FZECXGBRPINKBC-UHFFFAOYSA-N -1 0 333.347 3.425 20 30 EGEDRM COc1ccc(NC(=O)c2cc3ccccc3n2CC#N)c(C(=O)[O-])c1 ZINC000738034254 576282034 /nfs/dbraw/zinc/28/20/34/576282034.db2.gz KLWBQWSXEBLPCM-UHFFFAOYSA-N -1 0 349.346 3.124 20 30 EGEDRM Cc1cc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c2ccccc2n1 ZINC000738348122 576316078 /nfs/dbraw/zinc/31/60/78/576316078.db2.gz XNTKBBJQGLINGP-GOSISDBHSA-N -1 0 346.342 3.398 20 30 EGEDRM Cc1cc(Cl)c(N)c(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000738399628 576321646 /nfs/dbraw/zinc/32/16/46/576321646.db2.gz RCKARHDHXRPYNP-HNNXBMFYSA-N -1 0 344.754 3.085 20 30 EGEDRM N#Cc1ccc(Oc2cccc(C(=O)N(CC(=O)[O-])C3CC3)c2)cc1 ZINC000738434417 576325740 /nfs/dbraw/zinc/32/57/40/576325740.db2.gz DZJYONBVLKKOBF-UHFFFAOYSA-N -1 0 336.347 3.040 20 30 EGEDRM N#CCCCOc1cccc(N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000739072960 576376919 /nfs/dbraw/zinc/37/69/19/576376919.db2.gz NXRUUCSWNABXAK-GOSISDBHSA-N -1 0 335.363 3.479 20 30 EGEDRM N#CCN(CC(=O)[O-])C(=O)/C=C\c1ccc(-c2ccc(F)cc2)s1 ZINC000739078233 576377041 /nfs/dbraw/zinc/37/70/41/576377041.db2.gz ZEPAOVORYXZZBS-VURMDHGXSA-N -1 0 344.367 3.004 20 30 EGEDRM N#CCOc1ccc(CC(=O)Nc2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000739087308 576377320 /nfs/dbraw/zinc/37/73/20/576377320.db2.gz HIZCGVHGYBBYKL-UHFFFAOYSA-N -1 0 344.754 3.122 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)Cc2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC000739113986 576378586 /nfs/dbraw/zinc/37/85/86/576378586.db2.gz DNGSBUQODJEPMK-INIZCTEOSA-N -1 0 329.739 3.123 20 30 EGEDRM N#Cc1ccc([C@@H](OC(=O)c2cc3cc(F)ccc3[nH]2)C(=O)[O-])cc1 ZINC000739115672 576378754 /nfs/dbraw/zinc/37/87/54/576378754.db2.gz UXHTXDHTCLVDFH-MRXNPFEDSA-N -1 0 338.294 3.161 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)Cc2cccc(Cl)c2)C(=O)[O-])cc1 ZINC000739115967 576378850 /nfs/dbraw/zinc/37/88/50/576378850.db2.gz WMLIPFIQFVATIM-INIZCTEOSA-N -1 0 329.739 3.123 20 30 EGEDRM N#Cc1ccc(CC(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)cc1 ZINC000739118524 576378994 /nfs/dbraw/zinc/37/89/94/576378994.db2.gz SSAVWAUEJRMBMU-UHFFFAOYSA-N -1 0 346.289 3.039 20 30 EGEDRM C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000741657776 576709136 /nfs/dbraw/zinc/70/91/36/576709136.db2.gz WXTXWEFSJPLDRE-UHFFFAOYSA-N -1 0 337.347 3.086 20 30 EGEDRM O=C([O-])COc1ccc(C=NNc2ccccc2)cc1Br ZINC000743418253 576808929 /nfs/dbraw/zinc/80/89/29/576808929.db2.gz BQGSZRVMQFBMGC-UHFFFAOYSA-N -1 0 349.184 3.359 20 30 EGEDRM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1scnc1Cl ZINC000744936208 576837310 /nfs/dbraw/zinc/83/73/10/576837310.db2.gz OSWZELLAEYGFEI-VIFPVBQESA-N -1 0 349.799 3.156 20 30 EGEDRM COc1c(O)cccc1/C=C/C(=O)c1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000745021117 576838721 /nfs/dbraw/zinc/83/87/21/576838721.db2.gz MJJBJZQDNUSNMW-VMPCVLLUSA-N -1 0 342.347 3.149 20 30 EGEDRM N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@@H](C(=O)[O-])C2)cc1 ZINC000819084360 596909654 /nfs/dbraw/zinc/90/96/54/596909654.db2.gz NKSSTYUMTHSINJ-SJLPKXTDSA-N -1 0 349.390 3.280 20 30 EGEDRM Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(C)CCC(=O)[O-])cc1 ZINC000818787961 597009877 /nfs/dbraw/zinc/00/98/77/597009877.db2.gz JMEIYBYEBYKZIG-UHFFFAOYSA-N -1 0 338.363 3.206 20 30 EGEDRM N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCCC(=O)[O-])cc1 ZINC000819084635 597308406 /nfs/dbraw/zinc/30/84/06/597308406.db2.gz VWVQMUTXZVBKFN-QGZVFWFLSA-N -1 0 337.379 3.328 20 30 EGEDRM Cc1cc(NC(=O)Nc2ccc(F)cc2OCC#N)ccc1C(=O)[O-] ZINC000821034195 597476299 /nfs/dbraw/zinc/47/62/99/597476299.db2.gz UZDLOMBJAATIBG-UHFFFAOYSA-N -1 0 343.314 3.379 20 30 EGEDRM C[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])c1cc(Cl)ccc1Cl ZINC000820114171 598223633 /nfs/dbraw/zinc/22/36/33/598223633.db2.gz KUZXRTXEWOEBAJ-RTHLEPHNSA-N -1 0 329.183 3.175 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NCc1ccccc1Oc1ccccc1 ZINC000819841650 598225581 /nfs/dbraw/zinc/22/55/81/598225581.db2.gz CCQKHWVICRDVJQ-LJQANCHMSA-N -1 0 338.363 3.100 20 30 EGEDRM Cc1cc(-c2csc(NC(=O)[C@](C)(C#N)CC(=O)[O-])n2)ccc1F ZINC000820949287 598230119 /nfs/dbraw/zinc/23/01/19/598230119.db2.gz LLUQJSLHEIVMGX-INIZCTEOSA-N -1 0 347.371 3.201 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NC1CCC(C)(c2ccccc2)CC1 ZINC000819820972 598230576 /nfs/dbraw/zinc/23/05/76/598230576.db2.gz BSAFEUDUEJCBMR-XUJQIHCRSA-N -1 0 328.412 3.008 20 30 EGEDRM Cc1ccccc1CC(C)N=Nc1oc(C(C)C)nc1-c1nnn[n-]1 ZINC000820298812 599337368 /nfs/dbraw/zinc/33/73/68/599337368.db2.gz ASADQEGAIBZROA-UHFFFAOYSA-N -1 0 339.403 3.317 20 30 EGEDRM N#CCSc1ccccc1C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000326333519 600071939 /nfs/dbraw/zinc/07/19/39/600071939.db2.gz HXBDUCSXCFXIRV-UHFFFAOYSA-N -1 0 338.388 3.156 20 30 EGEDRM C=CCOCCCC(=O)Oc1ccc(C(=O)[O-])cc1Br ZINC000825699379 600941003 /nfs/dbraw/zinc/94/10/03/600941003.db2.gz YOQPIYNLTKJLFA-UHFFFAOYSA-N -1 0 343.173 3.036 20 30 EGEDRM C[C@H](NC(=O)Nc1ccc(CCC(=O)[O-])cc1)c1cccc(C#N)c1 ZINC000827672303 601047566 /nfs/dbraw/zinc/04/75/66/601047566.db2.gz SHVLEHKJVVBGTL-ZDUSSCGKSA-N -1 0 337.379 3.458 20 30 EGEDRM C=CCOCCCC(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1 ZINC000825698382 601078143 /nfs/dbraw/zinc/07/81/43/601078143.db2.gz HJYUJKHFTNYEKN-UHFFFAOYSA-N -1 0 326.418 3.060 20 30 EGEDRM O=C([O-])c1ccc(C(=O)OCC#Cc2ccc(C(F)(F)F)cc2)nc1 ZINC000833312381 601174805 /nfs/dbraw/zinc/17/48/05/601174805.db2.gz SYJPZOKTUSOXJW-UHFFFAOYSA-N -1 0 349.264 3.007 20 30 EGEDRM CC1=C(C(=O)[O-])[C@H](c2ccc(C#N)s2)NC(=O)N1CCC(C)C ZINC000828133896 601201854 /nfs/dbraw/zinc/20/18/54/601201854.db2.gz BGXDXBDUXWYCPC-AWEZNQCLSA-N -1 0 333.413 3.091 20 30 EGEDRM Cc1cccc(C)c1NC(=O)[C@H](C)ON=Cc1ccc(C(=O)[O-])cc1 ZINC000832964586 601220835 /nfs/dbraw/zinc/22/08/35/601220835.db2.gz GLHMNGBRNBQBKF-AWEZNQCLSA-N -1 0 340.379 3.379 20 30 EGEDRM C[C@H](C(=O)[O-])[C@H](NC(=O)CCc1ccc(C#N)cc1)c1ccccc1 ZINC000826031318 601294856 /nfs/dbraw/zinc/29/48/56/601294856.db2.gz LXFQGGVYZBMHMJ-LIRRHRJNSA-N -1 0 336.391 3.069 20 30 EGEDRM CCCOc1cccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000829537718 601349172 /nfs/dbraw/zinc/34/91/72/601349172.db2.gz BCEOULXZZHHOBA-QGZVFWFLSA-N -1 0 339.347 3.330 20 30 EGEDRM CC[C@H](Cc1ccccc1)C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000828901161 601352940 /nfs/dbraw/zinc/35/29/40/601352940.db2.gz QIYYLVXMZYUEJP-AEFFLSMTSA-N -1 0 337.375 3.496 20 30 EGEDRM CN(CCC#N)C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000830723297 601405247 /nfs/dbraw/zinc/40/52/47/601405247.db2.gz UETNXVOWMHYSSD-UHFFFAOYSA-N -1 0 347.374 3.162 20 30 EGEDRM Cc1ccc(C#N)cc1NC(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000832910631 601622773 /nfs/dbraw/zinc/62/27/73/601622773.db2.gz WZNPAKJQXSATBI-DYVFJYSZSA-N -1 0 337.379 3.450 20 30 EGEDRM C[C@@H](C(=O)[O-])[C@H](NC(=O)Nc1ccc(F)cc1C#N)c1ccccc1 ZINC000826037985 601628108 /nfs/dbraw/zinc/62/81/08/601628108.db2.gz CXIMZKKNHNNKCI-BZNIZROVSA-N -1 0 341.342 3.281 20 30 EGEDRM CC(C)(CNC(=O)c1cccc(Nc2ccc(C#N)cc2)c1)C(=O)[O-] ZINC000826602086 601710260 /nfs/dbraw/zinc/71/02/60/601710260.db2.gz LZTKBCAXGSESCS-UHFFFAOYSA-N -1 0 337.379 3.142 20 30 EGEDRM COc1cc(C(=O)/C=C/c2c[nH]c(C(=O)[O-])c2)ccc1OC(F)F ZINC000831860852 601791809 /nfs/dbraw/zinc/79/18/09/601791809.db2.gz GHVVPXFZLXTBHO-DUXPYHPUSA-N -1 0 337.278 3.219 20 30 EGEDRM C[C@@H]1CN([C@H](C(=O)[O-])c2ccc(C#N)cc2)C[C@@H](c2ccsc2)O1 ZINC000828411096 601886493 /nfs/dbraw/zinc/88/64/93/601886493.db2.gz DMKXSCRZURWBHQ-DQYPLSBCSA-N -1 0 342.420 3.207 20 30 EGEDRM N#CC1CCN(C(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000833062350 601992546 /nfs/dbraw/zinc/99/25/46/601992546.db2.gz LPMQESQYDAYERE-UHFFFAOYSA-N -1 0 341.289 3.171 20 30 EGEDRM CCn1nc(C)c(C(=O)/C=C\c2ccc(O[C@H](C)C(=O)[O-])cc2)c1C ZINC000830440810 602110087 /nfs/dbraw/zinc/11/00/87/602110087.db2.gz IDYFZYCBGGTTSC-KOTGUFOOSA-N -1 0 342.395 3.268 20 30 EGEDRM C[C@H](Oc1ccc(/C=C2\CCc3cc(O)ccc3C2=O)cc1)C(=O)[O-] ZINC000794708901 602111164 /nfs/dbraw/zinc/11/11/64/602111164.db2.gz VALMPDJCUSIZLF-XBUHWIKASA-N -1 0 338.359 3.457 20 30 EGEDRM N#Cc1cccc(-c2nnc(CNc3ccc(CCC(=O)[O-])cc3)o2)c1 ZINC000833074122 602129233 /nfs/dbraw/zinc/12/92/33/602129233.db2.gz PGYLPWSQEWHXCC-UHFFFAOYSA-N -1 0 348.362 3.238 20 30 EGEDRM Cc1cc(C(=O)Nc2cccc(C#N)c2C)cc(C)c1OCC(=O)[O-] ZINC000832865141 604452521 /nfs/dbraw/zinc/45/25/21/604452521.db2.gz OVLDSQBSSVFUIM-UHFFFAOYSA-N -1 0 338.363 3.199 20 30 EGEDRM CC(C)(Oc1ccc(C#N)cc1)C(=O)OC1CCC(CC(=O)[O-])CC1 ZINC000833463770 604495239 /nfs/dbraw/zinc/49/52/39/604495239.db2.gz YEZBGTKZJZSLOG-UHFFFAOYSA-N -1 0 345.395 3.292 20 30 EGEDRM CCOc1ccc(C=O)c(OCc2cccc(C(=O)[O-])c2C#N)c1 ZINC000833663741 604547378 /nfs/dbraw/zinc/54/73/78/604547378.db2.gz FVSMVZCSWBBWCU-UHFFFAOYSA-N -1 0 325.320 3.047 20 30 EGEDRM CC(C)C(=O)Nc1cccc(OCc2cccc(C(=O)[O-])c2C#N)c1 ZINC000833466644 604548773 /nfs/dbraw/zinc/54/87/73/604548773.db2.gz JITWJVMAATXEGD-UHFFFAOYSA-N -1 0 338.363 3.430 20 30 EGEDRM Cc1cc([C@@H](C)OC(=O)[C@H](C)Oc2ccccc2C#N)oc1C(=O)[O-] ZINC000832873871 604563130 /nfs/dbraw/zinc/56/31/30/604563130.db2.gz ITEWAGNVMGVFOA-NEPJUHHUSA-N -1 0 343.335 3.230 20 30 EGEDRM CC(C)(C)c1ncc(C(=O)OCc2cccc(C(=O)[O-])c2C#N)s1 ZINC000833451449 604582330 /nfs/dbraw/zinc/58/23/30/604582330.db2.gz VCFCULSMMMTEID-UHFFFAOYSA-N -1 0 344.392 3.367 20 30 EGEDRM C[C@@H]1CN(Cc2cccc(C(=O)[O-])c2C#N)C[C@@H](c2ccsc2)O1 ZINC000833630398 604614024 /nfs/dbraw/zinc/61/40/24/604614024.db2.gz SGNLSCJWHGXNSG-PXAZEXFGSA-N -1 0 342.420 3.280 20 30 EGEDRM C#CC[C@@H](NC(=O)Nc1ccc(C(=O)[O-])c(F)c1)c1ccccc1 ZINC000833360913 604660062 /nfs/dbraw/zinc/66/00/62/604660062.db2.gz RWHKZFSJCUSSKU-MRXNPFEDSA-N -1 0 326.327 3.410 20 30 EGEDRM Cc1nc2scc(C3CC3)n2c1C=NNc1ccc(C(=O)[O-])cn1 ZINC000763367911 604668575 /nfs/dbraw/zinc/66/85/75/604668575.db2.gz IUPHSGLYEQCKNB-UHFFFAOYSA-N -1 0 341.396 3.121 20 30 EGEDRM C=C[C@@H](CC(=O)Nc1nc(CCC(=O)[O-])cs1)c1ccccc1 ZINC000833370354 604790239 /nfs/dbraw/zinc/79/02/39/604790239.db2.gz CEQSFKNVPVGUBM-LBPRGKRZSA-N -1 0 330.409 3.459 20 30 EGEDRM C=CCOc1ccc(C(F)(F)F)cc1C(=O)O[C@@H](CC)C(=O)[O-] ZINC000833377992 605015145 /nfs/dbraw/zinc/01/51/45/605015145.db2.gz UYAXOVAYWXPXPM-NSHDSACASA-N -1 0 332.274 3.290 20 30 EGEDRM CC(C)(CC(=O)[O-])CC(=O)OCC#Cc1ccc(C(F)(F)F)cc1 ZINC000833456000 605033438 /nfs/dbraw/zinc/03/34/38/605033438.db2.gz AVANFUUXAIQPDW-UHFFFAOYSA-N -1 0 342.313 3.491 20 30 EGEDRM C[C@@H](C(=O)[O-])n1cccc1C=NNc1cccc(Br)c1 ZINC000833405575 605038808 /nfs/dbraw/zinc/03/88/08/605038808.db2.gz FUFPBMVBANQLTP-JTQLQIEISA-N -1 0 336.189 3.342 20 30 EGEDRM C=CCOc1ccc(-c2nnc(S[C@@H](C(=O)[O-])C3CC3)o2)cc1 ZINC000833378136 605071961 /nfs/dbraw/zinc/07/19/61/605071961.db2.gz YJFQTGYUQJZZNC-CYBMUJFWSA-N -1 0 332.381 3.257 20 30 EGEDRM CC(C)(C)OC(=O)N1CCC(CN=Nc2ccccc2C(=O)[O-])CC1 ZINC000749857648 605099988 /nfs/dbraw/zinc/09/99/88/605099988.db2.gz DUKUDTJJNUPMKY-UHFFFAOYSA-N -1 0 347.415 3.430 20 30 EGEDRM Cc1nn(C)c2nc(Cl)c(C=NNc3ccccc3C(=O)[O-])cc12 ZINC000833756150 605102045 /nfs/dbraw/zinc/10/20/45/605102045.db2.gz AWPNONUARZSGKH-UHFFFAOYSA-N -1 0 343.774 3.074 20 30 EGEDRM C[C@@H](C(=O)[O-])[C@H](NC(=O)c1ccc(Cl)c(C#N)c1)c1ccccc1 ZINC000833413745 605264364 /nfs/dbraw/zinc/26/43/64/605264364.db2.gz ZLPPJMSLNGMJLE-BZNIZROVSA-N -1 0 342.782 3.403 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@@H]1CCCCS1 ZINC000833379389 605293451 /nfs/dbraw/zinc/29/34/51/605293451.db2.gz BSOSHCROYADKGW-AWEZNQCLSA-N -1 0 336.409 3.313 20 30 EGEDRM CC(=[NH+][N-]c1cccc(C(=O)[O-])c1)c1cccc(N2CCOCC2)c1 ZINC000812374608 605593221 /nfs/dbraw/zinc/59/32/21/605593221.db2.gz GRTFMGWKIVNXAE-UHFFFAOYSA-N -1 0 339.395 3.058 20 30 EGEDRM C#CCCCCCC(=O)Nc1cc(C(=O)[O-])ccc1-n1cc(C)cn1 ZINC000833361878 605627998 /nfs/dbraw/zinc/62/79/98/605627998.db2.gz QMPHWCLMCXGOBP-UHFFFAOYSA-N -1 0 339.395 3.401 20 30 EGEDRM C[C@@H](C#N)Oc1ccccc1NCc1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000833402637 605729976 /nfs/dbraw/zinc/72/99/76/605729976.db2.gz RPBZZSZLOXSLSH-KBPBESRZSA-N -1 0 340.379 3.441 20 30 EGEDRM CCOc1ccc(S(=O)(=O)[N-]C(=O)Cc2ccccc2F)cc1 ZINC000042247940 1291438066 /nfs/dbraw/zinc/43/80/66/1291438066.db2.gz JDGIXOGRQCVAAV-UHFFFAOYSA-N -1 0 337.372 3.112 20 30 EGEDRM CCc1ccc(OCC(=O)[N-]S(=O)(=O)c2cccs2)cc1 ZINC000042244784 1291438121 /nfs/dbraw/zinc/43/81/21/1291438121.db2.gz KFINFCFWHQNVSL-UHFFFAOYSA-N -1 0 325.411 3.035 20 30 EGEDRM CCCCS(=O)(=O)[N-]C(=O)CCc1ncc(-c2ccccc2)o1 ZINC000042344122 1291441901 /nfs/dbraw/zinc/44/19/01/1291441901.db2.gz JJOWBMVKPOXTIJ-UHFFFAOYSA-N -1 0 336.413 3.361 20 30 EGEDRM O=C(CC1CCCCC1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000046927792 1291556971 /nfs/dbraw/zinc/55/69/71/1291556971.db2.gz WVBVXYKPFWQBRF-UHFFFAOYSA-N -1 0 326.374 3.210 20 30 EGEDRM CCCc1c(C(=O)[N-]S(=O)(=O)c2ccccc2)[nH]c(C)c1C(C)=O ZINC000048407394 1291603811 /nfs/dbraw/zinc/60/38/11/1291603811.db2.gz PWNVHKYAZJFYSL-UHFFFAOYSA-N -1 0 348.424 3.172 20 30 EGEDRM CCOc1ccc(S(=O)(=O)[N-]C(=O)Cc2ccsc2)cc1 ZINC000048451617 1291605291 /nfs/dbraw/zinc/60/52/91/1291605291.db2.gz SHCXHKPDYFUDMQ-UHFFFAOYSA-N -1 0 325.411 3.035 20 30 EGEDRM CC(C)(C)n1cc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)s2)cn1 ZINC000048461472 1291605323 /nfs/dbraw/zinc/60/53/23/1291605323.db2.gz GVXJXDBSOPPFJY-UHFFFAOYSA-N -1 0 347.849 3.047 20 30 EGEDRM Cc1c(C(=O)[N-]S(=O)(=O)c2cc(C)ccc2C)cnn1C(C)(C)C ZINC000048472310 1291606935 /nfs/dbraw/zinc/60/69/35/1291606935.db2.gz RGEVPOPURQVPKE-UHFFFAOYSA-N -1 0 349.456 3.257 20 30 EGEDRM Cc1c(C(=O)[N-]S(=O)(=O)C=Cc2ccccc2)cnn1C(C)(C)C ZINC000048531104 1291610398 /nfs/dbraw/zinc/61/03/98/1291610398.db2.gz FNIGBSLBTFIOOO-ZHACJKMWSA-N -1 0 347.440 3.252 20 30 EGEDRM COc1cccc(S(=O)(=O)[N-]C(=O)C2(c3ccccc3)CCC2)c1 ZINC000058187590 1291882535 /nfs/dbraw/zinc/88/25/35/1291882535.db2.gz UFRKCFZCGPGBER-UHFFFAOYSA-N -1 0 345.420 3.462 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)OCCC(C)C)cc1C ZINC000069282716 1292238153 /nfs/dbraw/zinc/23/81/53/1292238153.db2.gz CWNZHNWOXOIILV-AWEZNQCLSA-N -1 0 327.446 3.400 20 30 EGEDRM CC(C)CS(=O)(=O)[N-]C(=O)Cc1c[nH]c2cc(Cl)ccc12 ZINC000070036228 1292254978 /nfs/dbraw/zinc/25/49/78/1292254978.db2.gz NDNUOVXJIQHPHZ-UHFFFAOYSA-N -1 0 328.821 3.306 20 30 EGEDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)CO[C@H]1CCCC[C@@H]1C ZINC000073086769 1292304834 /nfs/dbraw/zinc/30/48/34/1292304834.db2.gz IAQBNLZNXUFGJF-JSGCOSHPSA-N -1 0 325.430 3.236 20 30 EGEDRM COc1cc(C)sc1C(=O)[N-]S(=O)(=O)C=Cc1ccccc1 ZINC000073263944 1292311661 /nfs/dbraw/zinc/31/16/61/1292311661.db2.gz KQEDDPWOWJAMLK-CMDGGOBGSA-N -1 0 337.422 3.370 20 30 EGEDRM COC[C@H](C)S(=O)(=O)[N-]C(=O)c1sccc1-c1ccccc1 ZINC000073839444 1292327422 /nfs/dbraw/zinc/32/74/22/1292327422.db2.gz WVLIDDGXSUBWRJ-NSHDSACASA-N -1 0 339.438 3.084 20 30 EGEDRM C[C@@H]1CC[C@@H](CCC(=O)[N-]S(=O)(=O)c2ccc(Cl)s2)O1 ZINC000076757334 1292440194 /nfs/dbraw/zinc/44/01/94/1292440194.db2.gz SLDLESKDRXHAOS-BDAKNGLRSA-N -1 0 337.850 3.394 20 30 EGEDRM C[C@H]1CC[C@@H](CCC(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2)O1 ZINC000076755789 1292440479 /nfs/dbraw/zinc/44/04/79/1292440479.db2.gz XFCZSSMLUNUMAL-JQWIXIFHSA-N -1 0 331.821 3.333 20 30 EGEDRM Cc1cc(C)c(C(=O)[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)o1 ZINC000079152154 1292544473 /nfs/dbraw/zinc/54/44/73/1292544473.db2.gz JWIKPWKLSSFWKK-UHFFFAOYSA-N -1 0 338.772 3.115 20 30 EGEDRM Cc1cscc1C(=O)[N-]S(=O)(=O)CCSc1ccccc1 ZINC000079168738 1292545608 /nfs/dbraw/zinc/54/56/08/1292545608.db2.gz VCZSOYHFKNBUBZ-UHFFFAOYSA-N -1 0 341.479 3.483 20 30 EGEDRM O=C(Cc1ccc(F)c(F)c1)[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC000088800528 1292756001 /nfs/dbraw/zinc/75/60/01/1292756001.db2.gz RTMRGCUDFKEBQU-UHFFFAOYSA-N -1 0 343.326 3.133 20 30 EGEDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)Cc1ccc(F)cc1F ZINC000088799628 1292756883 /nfs/dbraw/zinc/75/68/83/1292756883.db2.gz JQRABRYPLQDMTI-UHFFFAOYSA-N -1 0 325.336 3.161 20 30 EGEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N\Cc2ccc3c(c2)OCO3)c1[O-] ZINC000105497089 1293040531 /nfs/dbraw/zinc/04/05/31/1293040531.db2.gz KAJBQZPGMMGDAZ-IDUWFGFVSA-N -1 0 334.715 3.302 20 30 EGEDRM CC[C@H](C)CCN=Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cn1 ZINC000834939528 1293177649 /nfs/dbraw/zinc/17/76/49/1293177649.db2.gz HELUFHNRGZBRKO-ZDUSSCGKSA-N -1 0 347.444 3.111 20 30 EGEDRM CC(=NN[C@H]1CCOC1(C)C)c1cc(Br)cc(F)c1[O-] ZINC000835015210 1293188488 /nfs/dbraw/zinc/18/84/88/1293188488.db2.gz BWDZQDLJLXZXRZ-LBPRGKRZSA-N -1 0 345.212 3.175 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2sc(N(C)C)nc2Cl)n1 ZINC000835034333 1293191589 /nfs/dbraw/zinc/19/15/89/1293191589.db2.gz AFMMVGMXBNOGPV-SSDOTTSWSA-N -1 0 326.834 3.118 20 30 EGEDRM C=CCC1(C(=O)[N-]S(=O)(=O)CC2(C#N)CCCCC2)CCCC1 ZINC000835304910 1293257606 /nfs/dbraw/zinc/25/76/06/1293257606.db2.gz VEIWUTDNSZOFQB-UHFFFAOYSA-N -1 0 338.473 3.043 20 30 EGEDRM Cc1ccc(NC(=O)C/N=C/c2cc([N+](=O)[O-])ccc2[O-])c(Cl)c1 ZINC000121473661 1293373241 /nfs/dbraw/zinc/37/32/41/1293373241.db2.gz CFYASLIONWKAPN-QGMBQPNBSA-N -1 0 347.758 3.320 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2cc(N(C)C)ccc2C#N)cc(C)c1F ZINC000121744606 1293387764 /nfs/dbraw/zinc/38/77/64/1293387764.db2.gz ZCXJPUQGROVVEE-UHFFFAOYSA-N -1 0 347.415 3.181 20 30 EGEDRM CCc1ccc(-c2ccc(C([O-])=C(C#N)C(=O)c3nccn3C)o2)cc1 ZINC000122910713 1293428717 /nfs/dbraw/zinc/42/87/17/1293428717.db2.gz IXNYDSSBSKSINT-OAHLLOKOSA-N -1 0 347.374 3.448 20 30 EGEDRM CC(C)CCOc1ccc(C([O-])=C(C#N)C(=O)c2nccn2C)cc1 ZINC000123186908 1293436764 /nfs/dbraw/zinc/43/67/64/1293436764.db2.gz IKSORXDPBUQVIU-INIZCTEOSA-N -1 0 339.395 3.050 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2cc(Cl)cc(Cl)c2)C(=O)O1 ZINC000125783130 1293516634 /nfs/dbraw/zinc/51/66/34/1293516634.db2.gz NYYNJBBJKIAXMR-SFAKSCPVSA-N -1 0 325.147 3.222 20 30 EGEDRM CC(C)COc1cccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)c1 ZINC000127294804 1293559553 /nfs/dbraw/zinc/55/95/53/1293559553.db2.gz BTFAOIZDTNKXMU-GOSISDBHSA-N -1 0 342.439 3.493 20 30 EGEDRM C=CCOc1ccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)cc1 ZINC000127418512 1293562418 /nfs/dbraw/zinc/56/24/18/1293562418.db2.gz RUCQEPSIVRKIMS-QGZVFWFLSA-N -1 0 326.396 3.023 20 30 EGEDRM Cc1nc(-c2ccccc2)ncc1C(=O)Nc1cc(C#N)ccc1[O-] ZINC000129879352 1293638380 /nfs/dbraw/zinc/63/83/80/1293638380.db2.gz XBLVYVGYMXBURG-UHFFFAOYSA-N -1 0 330.347 3.282 20 30 EGEDRM Cc1cccc(-c2cncc(C([O-])=C(C#N)C(=O)NC3CCCC3)c2)c1 ZINC000132034397 1293706763 /nfs/dbraw/zinc/70/67/63/1293706763.db2.gz GLZQNUARTKYKNX-IBGZPJMESA-N -1 0 347.418 3.438 20 30 EGEDRM C[C@@H](Oc1cccc(/C=C/C(=O)c2ccc(C#N)s2)c1)C(=O)[O-] ZINC000134497011 1293774292 /nfs/dbraw/zinc/77/42/92/1293774292.db2.gz UVYYDPMQIJYRGX-OKPNEXGHSA-N -1 0 327.361 3.368 20 30 EGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CCc1cnn(C)c1C ZINC000136142318 1293809899 /nfs/dbraw/zinc/80/98/99/1293809899.db2.gz QQLOPJWKMJJNKG-MRXNPFEDSA-N -1 0 348.406 3.043 20 30 EGEDRM CC1(C)CCCC[C@@H]1CC(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1 ZINC000153620914 1294022051 /nfs/dbraw/zinc/02/20/51/1294022051.db2.gz NGNKTZIPEKKSDL-MRXNPFEDSA-N -1 0 348.468 3.111 20 30 EGEDRM O=C(/C=C/c1ccc(N2CCOCC2)cc1)c1cc(F)ccc1[O-] ZINC000156666861 1294154385 /nfs/dbraw/zinc/15/43/85/1294154385.db2.gz SDKQHCZLQOUNTE-XVNBXDOJSA-N -1 0 327.355 3.264 20 30 EGEDRM C=CC[C@@H](NC(=O)Nc1ccc(Cl)c(Br)c1)C(=O)[O-] ZINC000161994500 1294304510 /nfs/dbraw/zinc/30/45/10/1294304510.db2.gz PJPIDBXBPOUBMW-SNVBAGLBSA-N -1 0 347.596 3.253 20 30 EGEDRM COc1cc(/C=C2/COc3c(F)cccc3C2=O)cc([N+](=O)[O-])c1[O-] ZINC000170595647 1294374528 /nfs/dbraw/zinc/37/45/28/1294374528.db2.gz SVIDGEKVIGQYCK-YHYXMXQVSA-N -1 0 345.282 3.107 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(SCC)nc1 ZINC000171034891 1294391296 /nfs/dbraw/zinc/39/12/96/1294391296.db2.gz IOHICCGYNWXISR-CQSZACIVSA-N -1 0 333.457 3.213 20 30 EGEDRM CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)c2oc(C)cc2C)C1=O ZINC000174997340 1294534832 /nfs/dbraw/zinc/53/48/32/1294534832.db2.gz DENWPHJVEAJRHD-GOSISDBHSA-N -1 0 349.431 3.212 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)c2nn(-c3ccccc3)c3c2CCC3)c1 ZINC000176399577 1294604109 /nfs/dbraw/zinc/60/41/09/1294604109.db2.gz PICFAUQTHUWBOH-UHFFFAOYSA-N -1 0 344.374 3.191 20 30 EGEDRM C[C@@H](Oc1cccc(C(=O)/C=C/c2ccc(C#N)s2)c1)C(=O)[O-] ZINC000176407334 1294605309 /nfs/dbraw/zinc/60/53/09/1294605309.db2.gz SWUCSEVHVRYHIT-WSKFYRRCSA-N -1 0 327.361 3.368 20 30 EGEDRM COc1ccc2c(c1)C(=O)/C(=C\c1cc(OC)c([O-])c([N+](=O)[O-])c1)C2 ZINC000176938656 1294644142 /nfs/dbraw/zinc/64/41/42/1294644142.db2.gz AZZSBRDUYOWEOP-XGICHPGQSA-N -1 0 341.319 3.140 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)[C@@H]2CCCCN2Cc2ccccc2)c1 ZINC000179729008 1294820384 /nfs/dbraw/zinc/82/03/84/1294820384.db2.gz VIYUBSVJJUOJBJ-SFHVURJKSA-N -1 0 335.407 3.257 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)[C@@H]2CCCN2Cc2ccc(F)cc2)c1 ZINC000179738670 1294821038 /nfs/dbraw/zinc/82/10/38/1294821038.db2.gz RWZLXSRXXHCADE-KRWDZBQOSA-N -1 0 339.370 3.006 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)c2c(F)cccc2Br)c1 ZINC000179736138 1294821434 /nfs/dbraw/zinc/82/14/34/1294821434.db2.gz XWXQBTQEMLNUCI-UHFFFAOYSA-N -1 0 335.132 3.418 20 30 EGEDRM C#CCCCCC(=O)[N-]S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000180827649 1294919877 /nfs/dbraw/zinc/91/98/77/1294919877.db2.gz LMULGARVXXXXHJ-UHFFFAOYSA-N -1 0 327.471 3.044 20 30 EGEDRM COc1cc(/C=C/C(=O)c2cccc(F)c2F)cc([N+](=O)[O-])c1[O-] ZINC000182723860 1295069679 /nfs/dbraw/zinc/06/96/79/1295069679.db2.gz YMXCTIVAJVPYEJ-AATRIKPKSA-N -1 0 335.262 3.483 20 30 EGEDRM C[C@@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1cccc(F)c1F ZINC000183128541 1295101613 /nfs/dbraw/zinc/10/16/13/1295101613.db2.gz OYBZAZBIXXBIEO-JTQLQIEISA-N -1 0 338.335 3.056 20 30 EGEDRM C#CCCCCCOC(=O)c1ccc2c(c1)[n-]c(=S)n(CC)c2=O ZINC000185334942 1295255774 /nfs/dbraw/zinc/25/57/74/1295255774.db2.gz JFLWQQOHIBRGAK-UHFFFAOYSA-N -1 0 344.436 3.056 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2c(C(F)F)nc3n2CCCC3)n1 ZINC000870116361 1295665474 /nfs/dbraw/zinc/66/54/74/1295665474.db2.gz DRVBANYKABOIET-SECBINFHSA-N -1 0 336.367 3.412 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1sc(CCC)nc1C ZINC000193367346 1295856325 /nfs/dbraw/zinc/85/63/25/1295856325.db2.gz ZTOXFTVWVZYRMY-ZDUSSCGKSA-N -1 0 335.473 3.423 20 30 EGEDRM COc1ccc(/C=C\C(=O)c2ccc(O)cc2[O-])c(OC)c1OC ZINC000214460314 1296113402 /nfs/dbraw/zinc/11/34/02/1296113402.db2.gz XKHWXRFYEXARHO-YWEYNIOJSA-N -1 0 330.336 3.020 20 30 EGEDRM COc1cc2c(c(/C=C\C(=O)c3ccc(O)cc3[O-])c1)O[C@H](C)C2 ZINC000254958083 1296483373 /nfs/dbraw/zinc/48/33/73/1296483373.db2.gz ONHDCHIDYNZDRZ-ZTYXWKCZSA-N -1 0 326.348 3.326 20 30 EGEDRM Cc1ccc(N=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1C(N)=O ZINC000255049263 1296492525 /nfs/dbraw/zinc/49/25/25/1296492525.db2.gz KSRJGZYAUMFSLT-UHFFFAOYSA-N -1 0 333.731 3.112 20 30 EGEDRM C[C@@H](Oc1cccc(C(=O)/C=C\c2cnc3ccccn23)c1)C(=O)[O-] ZINC000255589959 1296551485 /nfs/dbraw/zinc/55/14/85/1296551485.db2.gz ZDLWWELIWILPMK-LJTDUEICSA-N -1 0 336.347 3.082 20 30 EGEDRM [O-]c1c(Br)cc(Br)cc1/C=N\[C@@H]1CCOC1 ZINC000255908690 1296578963 /nfs/dbraw/zinc/57/89/63/1296578963.db2.gz ICBPCTUZKIMDAB-YZJXFOOCSA-N -1 0 349.022 3.125 20 30 EGEDRM C#CCOc1cccc([N-]S(=O)(=O)c2cccc3c2N=S=N3)c1 ZINC000261425181 1296590827 /nfs/dbraw/zinc/59/08/27/1296590827.db2.gz GHKVYWVJGCYALB-UHFFFAOYSA-N -1 0 345.405 3.226 20 30 EGEDRM C=CCC[C@H](NC(=O)C[C@@H](c1ccccc1)C(F)(F)F)C(=O)[O-] ZINC000262923302 1296652624 /nfs/dbraw/zinc/65/26/24/1296652624.db2.gz OEKWMNGVIUWSKD-STQMWFEESA-N -1 0 329.318 3.258 20 30 EGEDRM Cc1nn(C)c2nc(Cl)cc(N=NC3CC[C@@H](C(=O)[O-])[C@@H](C)C3)c12 ZINC000872422063 1296951394 /nfs/dbraw/zinc/95/13/94/1296951394.db2.gz FVMQAIALEPFMNP-GZMMTYOYSA-N -1 0 349.822 3.219 20 30 EGEDRM C=CCC[C@H](NC(=O)Nc1cc(Br)ccc1C)C(=O)[O-] ZINC000316066438 1297141040 /nfs/dbraw/zinc/14/10/40/1297141040.db2.gz MZCCSQYHBCDRBK-NSHDSACASA-N -1 0 341.205 3.298 20 30 EGEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)C1=C(C(=O)[O-])CCCC1 ZINC000872947585 1297185161 /nfs/dbraw/zinc/18/51/61/1297185161.db2.gz PCOPGYJFRSTOFV-UHFFFAOYSA-N -1 0 329.396 3.165 20 30 EGEDRM N#CCCSc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435487166 1297830686 /nfs/dbraw/zinc/83/06/86/1297830686.db2.gz OXEITWFNCYCSNG-UHFFFAOYSA-N -1 0 349.462 3.426 20 30 EGEDRM Cc1ncc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)s1 ZINC000443413356 1297856391 /nfs/dbraw/zinc/85/63/91/1297856391.db2.gz ZHDGVRFBNYREFV-UHFFFAOYSA-N -1 0 347.343 3.143 20 30 EGEDRM CCOC(=O)/C=C\c1ccc(NC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000588553555 1298083038 /nfs/dbraw/zinc/08/30/38/1298083038.db2.gz VBAHMGHLLJJMBO-YHYXMXQVSA-N -1 0 336.347 3.092 20 30 EGEDRM C[C@@H](/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1nnc2ccccn21 ZINC000745991541 1298509287 /nfs/dbraw/zinc/50/92/87/1298509287.db2.gz XPXFQTDTGFKVMS-QQWZZVHASA-N -1 0 345.746 3.177 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cc(-c2ccccc2)ns1 ZINC000747204728 1298742208 /nfs/dbraw/zinc/74/22/08/1298742208.db2.gz KQYJLLNEWDQJIR-CQSZACIVSA-N -1 0 341.436 3.439 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)c2ccc3[nH]c(C(F)F)nc3c2)c1 ZINC000748410391 1299002805 /nfs/dbraw/zinc/00/28/05/1299002805.db2.gz KINVPBCRQODWHX-UHFFFAOYSA-N -1 0 328.278 3.330 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)c2ccc(OCc3ccncc3)cc2)c1 ZINC000748411043 1299004878 /nfs/dbraw/zinc/00/48/78/1299004878.db2.gz UTNFIEHHGPPBON-UHFFFAOYSA-N -1 0 345.358 3.490 20 30 EGEDRM COc1cc(/C=C\c2ncc(/C=C\C(=O)[O-])s2)ccc1OCC#N ZINC000748441481 1299007549 /nfs/dbraw/zinc/00/75/49/1299007549.db2.gz KQJUFVBHUQCUMO-VKOMYYDGSA-N -1 0 342.376 3.322 20 30 EGEDRM Cc1cccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)[nH]n2)c1C#N ZINC000749770460 1299268441 /nfs/dbraw/zinc/26/84/41/1299268441.db2.gz CVSGCJIIVDWVHW-UHFFFAOYSA-N -1 0 338.392 3.058 20 30 EGEDRM CC(=Nn1c(=S)[n-]nc1C(F)(F)F)c1ccc2ccccc2n1 ZINC000749811438 1299277190 /nfs/dbraw/zinc/27/71/90/1299277190.db2.gz BQARNSMBMMGBAG-UHFFFAOYSA-N -1 0 337.330 3.406 20 30 EGEDRM COc1ccc(C=NNc2ccc(F)cc2C)c(OCC(=O)[O-])c1 ZINC000750938630 1299481430 /nfs/dbraw/zinc/48/14/30/1299481430.db2.gz KLTXDYBMWORXIQ-UHFFFAOYSA-N -1 0 332.331 3.052 20 30 EGEDRM C#CCOc1ccc([N-]S(=O)(=O)c2cnc3ccsc3c2)cc1 ZINC000753077858 1299865458 /nfs/dbraw/zinc/86/54/58/1299865458.db2.gz GUZHFRFXZSWSRF-UHFFFAOYSA-N -1 0 344.417 3.109 20 30 EGEDRM Cc1ccc(C2N=NC(=S)N2N=Cc2cc(C(=O)[O-])cs2)cc1 ZINC000755512404 1300352143 /nfs/dbraw/zinc/35/21/43/1300352143.db2.gz JIGRPZPRORGHBW-UHFFFAOYSA-N -1 0 344.421 3.184 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1N=NC(C)c1nc2ccccc2n1C ZINC000756901700 1300585092 /nfs/dbraw/zinc/58/50/92/1300585092.db2.gz WYBHMXPLWPNJTI-UHFFFAOYSA-N -1 0 338.367 3.116 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)C2(CC(C)C)CCC2)n1 ZINC000757144659 1300654441 /nfs/dbraw/zinc/65/44/41/1300654441.db2.gz VWRFVQIPHSIQPA-ZDUSSCGKSA-N -1 0 334.441 3.387 20 30 EGEDRM O=C(/C=C/c1cc(Cl)c2c(c1)OCCO2)c1ccc(O)cc1[O-] ZINC000757472136 1300673526 /nfs/dbraw/zinc/67/35/26/1300673526.db2.gz LNRLTXTVGKWCSJ-DAFODLJHSA-N -1 0 332.739 3.419 20 30 EGEDRM O=C(/C=C\c1ccc(-n2cncn2)c(F)c1)c1cc(F)cc(F)c1[O-] ZINC000757474447 1300675535 /nfs/dbraw/zinc/67/55/35/1300675535.db2.gz TVCSWOYOTQVYPG-RQOWECAXSA-N -1 0 345.280 3.286 20 30 EGEDRM O=C(/C=C\c1ccccc1-n1cncn1)c1cc(F)cc(F)c1[O-] ZINC000757476347 1300676528 /nfs/dbraw/zinc/67/65/28/1300676528.db2.gz QCYDNUGUQPGMLX-WAYWQWQTSA-N -1 0 327.290 3.147 20 30 EGEDRM CC(N=Nc1nc(-c2ccccc2)no1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000758120108 1300790632 /nfs/dbraw/zinc/79/06/32/1300790632.db2.gz ILQNWTUIJMQNML-UHFFFAOYSA-N -1 0 339.311 3.187 20 30 EGEDRM COC(=O)[C@@H](C)Oc1ccc(/C=C\C(=O)c2ccc(F)cc2[O-])cc1 ZINC000758435035 1300884880 /nfs/dbraw/zinc/88/48/80/1300884880.db2.gz YTDRKWRCPNZRQF-DUWGPSABSA-N -1 0 344.338 3.368 20 30 EGEDRM N#CC[C@H]1CCCN(C(=O)c2cc(Br)cc(F)c2[O-])C1 ZINC000869231081 1330442892 /nfs/dbraw/zinc/44/28/92/1330442892.db2.gz OFWMTYWXBQOKSK-SECBINFHSA-N -1 0 341.180 3.060 20 30 EGEDRM Cn1nc(C(F)(F)F)c(/C=C/C(=O)c2ccc(O)cc2[O-])c1Cl ZINC000758931830 1300983599 /nfs/dbraw/zinc/98/35/99/1300983599.db2.gz PHINDIDXCUKZNO-SNAWJCMRSA-N -1 0 346.692 3.400 20 30 EGEDRM COCCOc1ccc(/C=C\C(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000759092652 1301013510 /nfs/dbraw/zinc/01/35/10/1301013510.db2.gz YZANEGOANRPDSW-YWEYNIOJSA-N -1 0 343.335 3.222 20 30 EGEDRM COc1cc(F)cc(NN=Cc2cccc(O[C@@H](C)C(=O)[O-])c2)c1 ZINC000759213020 1301044004 /nfs/dbraw/zinc/04/40/04/1301044004.db2.gz TVRSNMHISRXHGD-NSHDSACASA-N -1 0 332.331 3.132 20 30 EGEDRM CN(C)c1cc(F)ccc1C(=O)/C=C\c1ccc([O-])c([N+](=O)[O-])c1 ZINC000759604686 1301126832 /nfs/dbraw/zinc/12/68/32/1301126832.db2.gz DSCLZDKEKQWVCU-CLTKARDFSA-N -1 0 330.315 3.402 20 30 EGEDRM CCOc1ccc(OC(C)(C)C(=O)Nc2cc(C#N)ccc2[O-])cc1 ZINC000759713305 1301146543 /nfs/dbraw/zinc/14/65/43/1301146543.db2.gz KVVKQRFFVRMLMT-UHFFFAOYSA-N -1 0 340.379 3.459 20 30 EGEDRM Cc1cc(C(=O)Nc2cc(C#N)ccc2[O-])c(C)n1CC(F)(F)F ZINC000759720691 1301147658 /nfs/dbraw/zinc/14/76/58/1301147658.db2.gz SWAOEVGMASEQBV-UHFFFAOYSA-N -1 0 337.301 3.497 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2ccc(F)c(Cl)c2Cl)C(=O)O1 ZINC000761473925 1301479145 /nfs/dbraw/zinc/47/91/45/1301479145.db2.gz JJAFRKZTUGXRGW-PYEVWLCESA-N -1 0 343.137 3.361 20 30 EGEDRM Cc1cc[nH]c2nc(C(C#N)=C([O-])C3=Cc4cc(F)ccc4OC3)nc1-2 ZINC000762064577 1301604483 /nfs/dbraw/zinc/60/44/83/1301604483.db2.gz MUBTYIFBXRTAMS-CQSZACIVSA-N -1 0 348.337 3.058 20 30 EGEDRM N#Cc1cccc(OCCCOC(=O)c2cc(-c3ccco3)[nH]n2)c1 ZINC000763918353 1301980603 /nfs/dbraw/zinc/98/06/03/1301980603.db2.gz AKRBXHSCABCUTP-UHFFFAOYSA-N -1 0 337.335 3.167 20 30 EGEDRM C[C@H](Oc1cccc(C=NNCc2ccc(Cl)cc2)c1)C(=O)[O-] ZINC000764718579 1302121787 /nfs/dbraw/zinc/12/17/87/1302121787.db2.gz NTBAFYDKAJAQEF-LBPRGKRZSA-N -1 0 332.787 3.316 20 30 EGEDRM COCCOc1ccc(C(=O)/C=C/c2cc(C(=O)[O-])cs2)cc1 ZINC000765822403 1302335857 /nfs/dbraw/zinc/33/58/57/1302335857.db2.gz ACTXFJSCWCZYKU-VOTSOKGWSA-N -1 0 332.377 3.368 20 30 EGEDRM C#CCCCSc1nc([O-])c(CC)c(=O)n1-c1ccc(OC)cc1 ZINC000766288033 1302422566 /nfs/dbraw/zinc/42/25/66/1302422566.db2.gz DGURWYYATUQJRN-UHFFFAOYSA-N -1 0 344.436 3.015 20 30 EGEDRM C[C@@H]1CC(=NNc2cnnc([O-])c2Cl)CN(Cc2ccccc2)C1 ZINC000767362358 1302650191 /nfs/dbraw/zinc/65/01/91/1302650191.db2.gz WEPHTLNHRZRYFQ-GFCCVEGCSA-N -1 0 345.834 3.146 20 30 EGEDRM COc1cc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)ccc1[N+](=O)[O-] ZINC000770599680 1303292279 /nfs/dbraw/zinc/29/22/79/1303292279.db2.gz YABQXSYNFMKNRJ-UHFFFAOYSA-N -1 0 349.730 3.401 20 30 EGEDRM Cc1cc(COc2ccc(C=NNCC(C)C)cc2)oc1C(=O)[O-] ZINC000771563421 1303421114 /nfs/dbraw/zinc/42/11/14/1303421114.db2.gz ZTEBIMZVCVAPNM-UHFFFAOYSA-N -1 0 330.384 3.445 20 30 EGEDRM C=CCS(=O)(=O)[N-]C(=O)c1sc2cccc(C)c2c1Cl ZINC000772721358 1303567474 /nfs/dbraw/zinc/56/74/74/1303567474.db2.gz NCWLMTMLZVHOQN-UHFFFAOYSA-N -1 0 329.830 3.109 20 30 EGEDRM O=C(C=Cc1ccc(N2CCOCC2)c(F)c1)c1sccc1[O-] ZINC000773149068 1303634231 /nfs/dbraw/zinc/63/42/31/1303634231.db2.gz KKCPDXSZPFJSSI-RQOWECAXSA-N -1 0 333.384 3.326 20 30 EGEDRM Cc1nc(-c2ccccc2C)sc1C([O-])=C(C#N)C(=O)NC1CC1 ZINC000773980341 1303760036 /nfs/dbraw/zinc/76/00/36/1303760036.db2.gz RLKYXCPEOZMQBS-CQSZACIVSA-N -1 0 339.420 3.028 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)n2)ccc1C#N ZINC000775047835 1303894789 /nfs/dbraw/zinc/89/47/89/1303894789.db2.gz DUSAZOGLDMNSRS-UHFFFAOYSA-N -1 0 341.314 3.081 20 30 EGEDRM CCC[C@@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)CC(C)(C)C#N ZINC000776144454 1304101595 /nfs/dbraw/zinc/10/15/95/1304101595.db2.gz OXHDUABWZTUGIK-HNNXBMFYSA-N -1 0 342.505 3.369 20 30 EGEDRM CC(=NNCCCc1ccccc1)c1cc(C(=O)[O-])c(C)nc1C ZINC000776729031 1304188720 /nfs/dbraw/zinc/18/87/20/1304188720.db2.gz GYKLPSQGYQEJKV-UHFFFAOYSA-N -1 0 325.412 3.343 20 30 EGEDRM CCc1ccc(S(=O)(=O)[N-]c2ccccc2O[C@H](C)C#N)cc1 ZINC000779847723 1304614058 /nfs/dbraw/zinc/61/40/58/1304614058.db2.gz BQHFQEZLTDZCNK-CYBMUJFWSA-N -1 0 330.409 3.341 20 30 EGEDRM COc1cc(NC(C)=O)ccc1C(=O)/C=C\c1cc(C(=O)[O-])cs1 ZINC000782208298 1304932039 /nfs/dbraw/zinc/93/20/39/1304932039.db2.gz VRJMAERPUNZSSX-XQRVVYSFSA-N -1 0 345.376 3.309 20 30 EGEDRM Cn1nc(Br)cc1/C=C\C(=O)c1cc(Cl)ccc1[O-] ZINC000782347153 1304958673 /nfs/dbraw/zinc/95/86/73/1304958673.db2.gz IVCUEQXOFHENHX-HYXAFXHYSA-N -1 0 341.592 3.438 20 30 EGEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2ccc3ncccc3c2)c1 ZINC000786537903 1305592911 /nfs/dbraw/zinc/59/29/11/1305592911.db2.gz BRAGEPLAJVSCLK-GOSISDBHSA-N -1 0 343.386 3.182 20 30 EGEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2cc(F)cc(Cl)c2)c1 ZINC000786537828 1305592934 /nfs/dbraw/zinc/59/29/34/1305592934.db2.gz AKTXWOAAOSCOCY-MRXNPFEDSA-N -1 0 344.773 3.426 20 30 EGEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2cc3ccccc3o2)c1 ZINC000786544404 1305593983 /nfs/dbraw/zinc/59/39/83/1305593983.db2.gz WVCWTMJREUUTKG-INIZCTEOSA-N -1 0 332.359 3.380 20 30 EGEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1cccc(C(C)=O)c1)c1ccccc1 ZINC000787047396 1305684183 /nfs/dbraw/zinc/68/41/83/1305684183.db2.gz XFNRFXXGKBOJCY-RBUKOAKNSA-N -1 0 348.402 3.479 20 30 EGEDRM Cc1ccc(C(=O)[O-])cc1C(C)N=Nc1cc(C#N)cc(Cl)n1 ZINC000788437248 1305940421 /nfs/dbraw/zinc/94/04/21/1305940421.db2.gz PBKIEPRRNDVDNG-UHFFFAOYSA-N -1 0 328.759 3.449 20 30 EGEDRM O=C([O-])[C@H]1CCC(N=Nc2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000788929622 1306045282 /nfs/dbraw/zinc/04/52/82/1306045282.db2.gz WZPYHZXYERUTAG-ZDUSSCGKSA-N -1 0 325.324 3.373 20 30 EGEDRM CCCCCN1c2ccccc2C(=N[N-]c2nc3ccccn3n2)C1=O ZINC000790200603 1306276779 /nfs/dbraw/zinc/27/67/79/1306276779.db2.gz XPQNDFXEARXMIS-UHFFFAOYSA-N -1 0 348.410 3.082 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nc(-c3ccco3)cs2)cc1F ZINC000794016781 1309465167 /nfs/dbraw/zinc/46/51/67/1309465167.db2.gz LZYOKIVFGUJBLZ-UHFFFAOYSA-N -1 0 349.368 3.215 20 30 EGEDRM C=CCC[C@H](NS(=O)(=O)c1cc(C(C)C)ccc1Cl)C(=O)[O-] ZINC000794762963 1309590081 /nfs/dbraw/zinc/59/00/81/1309590081.db2.gz XHRLFDSQGJAGJW-ZDUSSCGKSA-N -1 0 345.848 3.161 20 30 EGEDRM C[C@@H](Oc1cccc(C(=O)/C=C\c2c(F)ccc(O)c2F)c1)C(=O)[O-] ZINC000794935780 1309625446 /nfs/dbraw/zinc/62/54/46/1309625446.db2.gz UKRACRUUASMYCF-ONRRBMGISA-N -1 0 348.301 3.418 20 30 EGEDRM CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ncccc2C#N)c1 ZINC000795629987 1309796092 /nfs/dbraw/zinc/79/60/92/1309796092.db2.gz NNBYATSXEXQBNS-UHFFFAOYSA-N -1 0 349.799 3.000 20 30 EGEDRM Cc1ccnc2ccc(C([O-])=C(C#N)C(=O)NCc3ccccc3)cc12 ZINC000796777141 1310084799 /nfs/dbraw/zinc/08/47/99/1310084799.db2.gz BJFCDWIVQBSHQT-SFHVURJKSA-N -1 0 343.386 3.182 20 30 EGEDRM CC(C)c1c(Cl)ncnc1N=NC(C)c1cc(C(=O)[O-])ccc1O ZINC000797404223 1310184941 /nfs/dbraw/zinc/18/49/41/1310184941.db2.gz JGTTWRAGWZDRMN-UHFFFAOYSA-N -1 0 348.790 3.493 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)NCC1CCC(c2ccccc2)CC1 ZINC000797719875 1310236402 /nfs/dbraw/zinc/23/64/02/1310236402.db2.gz CMJAZFUXHWURMH-UHFFFAOYSA-N -1 0 330.428 3.243 20 30 EGEDRM C#CCOc1ccc(NC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])cc1 ZINC000797742745 1310240286 /nfs/dbraw/zinc/24/02/86/1310240286.db2.gz DZQIHFHDOZLFNU-KRWDZBQOSA-N -1 0 344.411 3.244 20 30 EGEDRM C=CC[C@H](CC)NC(=O)c1cc2ccccc2cc1[N-]S(C)(=O)=O ZINC000798551115 1310387365 /nfs/dbraw/zinc/38/73/65/1310387365.db2.gz MGXKNQCCXLFVTL-HNNXBMFYSA-N -1 0 346.452 3.296 20 30 EGEDRM CC(C)OCCCNC(=O)C(C#N)=C([O-])c1cccc(C2CCC2)c1 ZINC000798815177 1310446052 /nfs/dbraw/zinc/44/60/52/1310446052.db2.gz JLNVWUFKZHQCJR-SFHVURJKSA-N -1 0 342.439 3.208 20 30 EGEDRM COc1ccccc1CON=Cc1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000799116575 1310490327 /nfs/dbraw/zinc/49/03/27/1310490327.db2.gz ALSJCJVZLPIUKC-ZDUSSCGKSA-N -1 0 329.352 3.098 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)c2cn3cc(Cl)cc(Cl)c3n2)c1 ZINC000799713068 1310603788 /nfs/dbraw/zinc/60/37/88/1310603788.db2.gz OMUHAPFJYXNEPN-UHFFFAOYSA-N -1 0 347.161 3.471 20 30 EGEDRM CCC(N=Nc1ccccc1C(=O)[O-])c1ccc2c(c1)OCCO2 ZINC000917542659 1319832454 /nfs/dbraw/zinc/83/24/54/1319832454.db2.gz KLNKXRFGOISLJV-UHFFFAOYSA-N -1 0 326.352 3.382 20 30 EGEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1cc(C)cc(C)n1)c1ccccc1 ZINC000802219424 1316990089 /nfs/dbraw/zinc/99/00/89/1316990089.db2.gz WJHPFDWNONCVLD-IAGOWNOFSA-N -1 0 335.407 3.288 20 30 EGEDRM C[C@@]1(C(=O)[O-])[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)Nc1ccc(C#N)cc1Cl ZINC000899774655 1317152802 /nfs/dbraw/zinc/15/28/02/1317152802.db2.gz STFWSYGSFXRTKA-YOEUBCJZSA-N -1 0 330.771 3.063 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1NN=Cc1c(C)nn(C(C)C)c1C ZINC000901205047 1317393579 /nfs/dbraw/zinc/39/35/79/1317393579.db2.gz JJQVECFNJSXOHA-UHFFFAOYSA-N -1 0 330.388 3.234 20 30 EGEDRM Cc1cc([N+](=O)[O-])ccc1NN=Cc1cccc(OCCC(=O)[O-])c1 ZINC000807989591 1317608010 /nfs/dbraw/zinc/60/80/10/1317608010.db2.gz KUQGMPMZYMIQCH-UHFFFAOYSA-N -1 0 343.339 3.203 20 30 EGEDRM C[C@@H](Oc1cccc(CN=Nc2nccnc2C2CCC2)c1)C(=O)[O-] ZINC000807991904 1317608802 /nfs/dbraw/zinc/60/88/02/1317608802.db2.gz VXKGDVSWILHOSY-GFCCVEGCSA-N -1 0 340.383 3.042 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)o1 ZINC000808065214 1317619016 /nfs/dbraw/zinc/61/90/16/1317619016.db2.gz KMDVBXLNPCWDJU-UHFFFAOYSA-N -1 0 330.337 3.267 20 30 EGEDRM Cc1cc(C#N)c([N-]S(=O)(=O)c2ccc(OC3CC3)cc2)s1 ZINC000903169223 1317667353 /nfs/dbraw/zinc/66/73/53/1317667353.db2.gz CKVQUYUWNUJWEZ-UHFFFAOYSA-N -1 0 334.422 3.270 20 30 EGEDRM C#CCCCCCC(=O)[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000809009139 1317758881 /nfs/dbraw/zinc/75/88/81/1317758881.db2.gz SXTKWAMMMWLXHT-UHFFFAOYSA-N -1 0 349.786 3.007 20 30 EGEDRM COc1ccc2[nH]cc(C(=O)/C=C\c3ccc(O)c(C(=O)[O-])c3)c2c1 ZINC000809153813 1317776127 /nfs/dbraw/zinc/77/61/27/1317776127.db2.gz GEEXJMQDKZWJRJ-CLTKARDFSA-N -1 0 337.331 3.476 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@H](C)c2ccc3ccccc3c2)CC1 ZINC000810980810 1318085577 /nfs/dbraw/zinc/08/55/77/1318085577.db2.gz FZMQBRVMVPMBGO-CQSZACIVSA-N -1 0 343.448 3.498 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@H](Cc2ccccc2)C(C)C)CC1 ZINC000810985333 1318086230 /nfs/dbraw/zinc/08/62/30/1318086230.db2.gz IGMPFEWKANPCDS-MRXNPFEDSA-N -1 0 335.469 3.056 20 30 EGEDRM N#Cc1ccc2c(c1)C(=O)/C(=C\c1cccc(OCCC(=O)[O-])c1)C2 ZINC000811695608 1318229203 /nfs/dbraw/zinc/22/92/03/1318229203.db2.gz KAAWRLSODIFYMQ-PXNMLYILSA-N -1 0 333.343 3.234 20 30 EGEDRM N#Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1ccc(C(F)F)cc1 ZINC000811830778 1318275809 /nfs/dbraw/zinc/27/58/09/1318275809.db2.gz FSVZLKFZLCGBSV-UHFFFAOYSA-N -1 0 343.742 3.345 20 30 EGEDRM CCCCCCCC(=O)[N-]S(=O)(=O)c1ccc(C)c(F)c1F ZINC000813195452 1318513761 /nfs/dbraw/zinc/51/37/61/1318513761.db2.gz ULRUFDHRHPBYPY-UHFFFAOYSA-N -1 0 333.400 3.439 20 30 EGEDRM O=C(/C=C\c1cc([O-])ccc1[N+](=O)[O-])c1cc([N+](=O)[O-])ccc1F ZINC000814190109 1318694391 /nfs/dbraw/zinc/69/43/91/1318694391.db2.gz BZSKIQXSNRHPPD-BHQIHCQQSA-N -1 0 332.243 3.244 20 30 EGEDRM CC(=NNc1ccc([N+](=O)[O-])cc1)c1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000814682884 1318799296 /nfs/dbraw/zinc/79/92/96/1318799296.db2.gz SXFNNMQMUWWLTE-LBPRGKRZSA-N -1 0 343.339 3.283 20 30 EGEDRM CCOc1ccc(NC(=S)NN=C2CC[C@@H](CC(=O)[O-])[C@@H]2C)cc1 ZINC000814717833 1318804383 /nfs/dbraw/zinc/80/43/83/1318804383.db2.gz UMDHVYMXRIXDHB-RYUDHWBXSA-N -1 0 349.456 3.249 20 30 EGEDRM COc1cccc(NN=C(C)c2cccc(O[C@@H](C)C(=O)[O-])c2)c1 ZINC000814778450 1318814688 /nfs/dbraw/zinc/81/46/88/1318814688.db2.gz GCANTBVDCAWBCJ-ZDUSSCGKSA-N -1 0 328.368 3.383 20 30 EGEDRM CC(=NNc1[n-]cnc2ncnc1-2)c1nc(-c2ccccc2)cs1 ZINC000814813448 1318823205 /nfs/dbraw/zinc/82/32/05/1318823205.db2.gz DNTQOEFFWNOTHW-UHFFFAOYSA-N -1 0 335.396 3.313 20 30 EGEDRM COc1ccc(CCNN=C2CC[C@@H](C(=O)[O-])C(C)(C)[C@H]2C)cc1 ZINC000814855543 1318831025 /nfs/dbraw/zinc/83/10/25/1318831025.db2.gz PGQWABREUYFRKI-BBRMVZONSA-N -1 0 332.444 3.340 20 30 EGEDRM CCN(CC)c1ccnc(N=NC2CC[C@H](C(=O)[O-])C(C)(C)[C@@H]2C)n1 ZINC000814872445 1318836095 /nfs/dbraw/zinc/83/60/95/1318836095.db2.gz XEAOWKNMULIWLU-CHWSQXEVSA-N -1 0 347.463 3.248 20 30 EGEDRM CC(CCc1ccc(O[C@@H](C)C(=O)[O-])cc1)=NOCc1cccnc1 ZINC000814884378 1318837923 /nfs/dbraw/zinc/83/79/23/1318837923.db2.gz VLJKBBOQOJBYBY-HNNXBMFYSA-N -1 0 342.395 3.459 20 30 EGEDRM C[C@H]1C[C@@H](C(=O)[O-])CCC1N=Nc1cncc(Br)c1 ZINC000814886918 1318840311 /nfs/dbraw/zinc/84/03/11/1318840311.db2.gz KACCFJNYRJGTAG-IUCAKERBSA-N -1 0 326.194 3.133 20 30 EGEDRM COC(=O)c1ccccc1NN=Cc1cc(C(=O)[O-])c(C)cc1C ZINC000814893847 1318841616 /nfs/dbraw/zinc/84/16/16/1318841616.db2.gz DZKHMFVOKJFHTK-UHFFFAOYSA-N -1 0 326.352 3.234 20 30 EGEDRM C[C@@H]1C(N=Nc2nnc(-c3ccccc3)s2)CC[C@H]1CC(=O)[O-] ZINC000814946459 1318857665 /nfs/dbraw/zinc/85/76/65/1318857665.db2.gz JELLXTNZQOIHSS-JQWIXIFHSA-N -1 0 330.413 3.494 20 30 EGEDRM C=CCC(F)(F)C(=O)[N-]S(=O)(=O)c1cc(C(C)(C)C)ccc1C ZINC000815893902 1319069242 /nfs/dbraw/zinc/06/92/42/1319069242.db2.gz ASYHYUSXLZNWAR-UHFFFAOYSA-N -1 0 345.411 3.309 20 30 EGEDRM Cc1c(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)ccn1C(C)C ZINC000816037791 1319091768 /nfs/dbraw/zinc/09/17/68/1319091768.db2.gz XUNYFPYYUHTSIK-GOSISDBHSA-N -1 0 337.423 3.325 20 30 EGEDRM O=C([O-])Cc1ccc(C(=O)/C=C/c2cnn(Cc3ccccc3)c2)cc1 ZINC000915988212 1319579194 /nfs/dbraw/zinc/57/91/94/1319579194.db2.gz SHOIRVRWLVKRGR-DHZHZOJOSA-N -1 0 346.386 3.455 20 30 EGEDRM COc1ccc(/C=C\C(=O)c2ccc(CC(=O)[O-])cc2)cc1OC ZINC000915991202 1319580859 /nfs/dbraw/zinc/58/08/59/1319580859.db2.gz ZPYXQIFACHBCKW-UITAMQMPSA-N -1 0 326.348 3.227 20 30 EGEDRM C=CCNC(=O)C(C#N)=C([O-])c1ccc2[nH]c3c(c2c1)CCCCC3 ZINC000916921020 1319724308 /nfs/dbraw/zinc/72/43/08/1319724308.db2.gz PRXHJKTZGXRONK-INIZCTEOSA-N -1 0 335.407 3.061 20 30 EGEDRM CC(C)COc1ccc(C([O-])=C(C#N)C(=O)NC2CCCC2)cc1 ZINC000917040136 1319743045 /nfs/dbraw/zinc/74/30/45/1319743045.db2.gz KWIGYAOGXYSIEI-QGZVFWFLSA-N -1 0 328.412 3.103 20 30 EGEDRM CC(C)(C)c1ncc(/C=C\C(=O)c2cccc(OCC(=O)[O-])c2)cn1 ZINC000840712655 1321132881 /nfs/dbraw/zinc/13/28/81/1321132881.db2.gz DZHQWUITVMDEOE-FPLPWBNLSA-N -1 0 340.379 3.134 20 30 EGEDRM CC(C)(CC/N=C/c1cc(Cl)cc(Cl)c1[O-])S(C)(=O)=O ZINC000840713744 1321133246 /nfs/dbraw/zinc/13/32/46/1321133246.db2.gz VAXFLGHEMVUNDD-LZYBPNLTSA-N -1 0 338.256 3.331 20 30 EGEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1csc(C2CCCCC2)n1 ZINC000842323868 1321372420 /nfs/dbraw/zinc/37/24/20/1321372420.db2.gz SJHUSFBABWIOER-LBPRGKRZSA-N -1 0 342.424 3.130 20 30 EGEDRM Cc1nc(C([O-])=C(C#N)c2nc(C3CC3)cs2)nn1-c1ccccc1 ZINC000842942108 1321452052 /nfs/dbraw/zinc/45/20/52/1321452052.db2.gz NCRJWDNEEYSHHQ-CQSZACIVSA-N -1 0 349.419 3.400 20 30 EGEDRM C=C[C@H](C)O[N-]C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)Cc2ccccc21 ZINC000846555729 1321793607 /nfs/dbraw/zinc/79/36/07/1321793607.db2.gz XWDFRDASOSLTRO-XJKSGUPXSA-N -1 0 346.427 3.143 20 30 EGEDRM COCCOc1ccc(C(C)=NNc2ccc(CC(=O)[O-])cc2)cc1 ZINC000848415952 1321958201 /nfs/dbraw/zinc/95/82/01/1321958201.db2.gz UFUWOMKZRJEZQT-UHFFFAOYSA-N -1 0 342.395 3.175 20 30 EGEDRM CCCCc1nc(Cl)c(C=NNc2ccc(CC(=O)[O-])cc2)[nH]1 ZINC000848415296 1321958530 /nfs/dbraw/zinc/95/85/30/1321958530.db2.gz LICGVYARBZICBL-UHFFFAOYSA-N -1 0 334.807 3.479 20 30 EGEDRM CCOC(=O)C[C@H]1CCCCC1N=Nc1ccc(CC(=O)[O-])cc1 ZINC000848415117 1321958545 /nfs/dbraw/zinc/95/85/45/1321958545.db2.gz WPMFBPOZQSFCHR-CQSZACIVSA-N -1 0 332.400 3.225 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)C2[C@@H]3CCCCCC[C@@H]23)n1 ZINC000850304656 1322224744 /nfs/dbraw/zinc/22/47/44/1322224744.db2.gz NYKCHGCJDSNOQB-MGPQQGTHSA-N -1 0 346.452 3.387 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@H](C)c2ccccc2C)n1 ZINC000923906230 1322843437 /nfs/dbraw/zinc/84/34/37/1322843437.db2.gz AIZJBTJRKCWGBM-HIFRSBDPSA-N -1 0 342.420 3.283 20 30 EGEDRM Cc1cc(C)nc(N=NC(C)c2cc(C(=O)[O-])ccc2OC(C)C)n1 ZINC000853254568 1325072703 /nfs/dbraw/zinc/07/27/03/1325072703.db2.gz XYYPUGLGERAUQM-UHFFFAOYSA-N -1 0 342.399 3.415 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000929024116 1328489522 /nfs/dbraw/zinc/48/95/22/1328489522.db2.gz HGYLHTUPJCXARP-LBPRGKRZSA-N -1 0 340.832 3.159 20 30 EGEDRM N#CCCCCNC(=O)CCC(=O)C=C([O-])c1ccc(Cl)cc1 ZINC001184118879 1387395507 /nfs/dbraw/zinc/39/55/07/1387395507.db2.gz ICNSMCCYIRVWAK-UHFFFAOYSA-N -1 0 334.803 3.072 20 30 EGEDRM O=C(CCC(=O)C1=CC=C[CH]1)Nc1cn2cc(C(F)(F)F)ccc2n1 ZINC001184241730 1387418419 /nfs/dbraw/zinc/41/84/19/1387418419.db2.gz YUBWZOCTUKRJCC-UHFFFAOYSA-N -1 0 348.304 3.341 20 30 EGEDRM O=C(CCC(=O)C1=CC=C[CH]1)NCc1cc(-c2ccccc2F)no1 ZINC001184247329 1387419342 /nfs/dbraw/zinc/41/93/42/1387419342.db2.gz LTSVTXJWALIEOY-UHFFFAOYSA-N -1 0 339.346 3.147 20 30 EGEDRM N#Cc1c(F)c(Cl)ccc1[N-]S(=O)(=O)c1cccnc1Cl ZINC001184881070 1387553318 /nfs/dbraw/zinc/55/33/18/1387553318.db2.gz XIGPVAZLXNIGBR-UHFFFAOYSA-N -1 0 346.170 3.200 20 30 EGEDRM Cc1c(F)cccc1S(=O)(=O)[N-]c1cc(C#N)cn1C(C)(C)C ZINC001185795215 1387802715 /nfs/dbraw/zinc/80/27/15/1387802715.db2.gz HQCXMVYVDOLSLF-UHFFFAOYSA-N -1 0 335.404 3.363 20 30 EGEDRM Cc1ncc(C#N)cc1[N-]S(=O)(=O)c1ccc(F)c2ccccc21 ZINC001189355489 1367001775 /nfs/dbraw/zinc/00/17/75/1367001775.db2.gz LMCDDGDUSBFXFE-UHFFFAOYSA-N -1 0 341.367 3.355 20 30 EGEDRM Cc1[nH]c(NC(=O)c2cccc(OC(F)(F)F)c2[O-])c(C#N)c1C ZINC001189748002 1367101434 /nfs/dbraw/zinc/10/14/34/1367101434.db2.gz CKXQUSWPDZRCLF-UHFFFAOYSA-N -1 0 339.273 3.360 20 30 EGEDRM C[C@@H]1CCC[C@@H](C[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)[C@@H]1C ZINC001189794637 1367110571 /nfs/dbraw/zinc/11/05/71/1367110571.db2.gz RYRNGGJGJMBZAP-WZRBSPASSA-N -1 0 342.411 3.187 20 30 EGEDRM CC(C)c1ccc([N-]S(=O)(=O)c2ncc(F)cc2F)c(C#N)c1 ZINC001190181826 1367193813 /nfs/dbraw/zinc/19/38/13/1367193813.db2.gz PARFCHPKCXWSTM-UHFFFAOYSA-N -1 0 337.351 3.156 20 30 EGEDRM Cc1coc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)c1C#N ZINC001190302334 1367222060 /nfs/dbraw/zinc/22/20/60/1367222060.db2.gz GVOIDAAFNLXIKN-UHFFFAOYSA-N -1 0 348.277 3.418 20 30 EGEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]CC2CCCCCC2)c(F)c1 ZINC001190348527 1367234551 /nfs/dbraw/zinc/23/45/51/1367234551.db2.gz XGEISRRTJZHKCA-UHFFFAOYSA-N -1 0 328.384 3.085 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(F)c3cnccc23)c1 ZINC001190655369 1367319071 /nfs/dbraw/zinc/31/90/71/1367319071.db2.gz FAZZMBLROQTRKO-UHFFFAOYSA-N -1 0 345.330 3.185 20 30 EGEDRM COc1cc(C)c([N-]S(=O)(=O)c2cc(C#N)ccc2F)cc1C ZINC001190658587 1367321165 /nfs/dbraw/zinc/32/11/65/1367321165.db2.gz YSASNCXPQBRMEN-UHFFFAOYSA-N -1 0 334.372 3.124 20 30 EGEDRM CCCCc1ccc(S(=O)(=O)[N-]c2cnc(C#N)c(C)c2)cc1 ZINC001191231934 1367453374 /nfs/dbraw/zinc/45/33/74/1367453374.db2.gz AHIZVELEAGZKMK-UHFFFAOYSA-N -1 0 329.425 3.405 20 30 EGEDRM CCCCc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2O)cc1 ZINC001191252848 1367460065 /nfs/dbraw/zinc/46/00/65/1367460065.db2.gz GOGPAYRMXMMASF-UHFFFAOYSA-N -1 0 330.409 3.407 20 30 EGEDRM C[C@@H](C#N)c1ccc(NC(=O)c2nc(Br)ccc2[O-])cc1 ZINC001191742426 1367574492 /nfs/dbraw/zinc/57/44/92/1367574492.db2.gz PXULGZQMRUQFLT-VIFPVBQESA-N -1 0 346.184 3.429 20 30 EGEDRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2sc(C)cc2C#N)c1 ZINC001192760841 1367868453 /nfs/dbraw/zinc/86/84/53/1367868453.db2.gz BSKWKAUKTRMRCN-UHFFFAOYSA-N -1 0 336.438 3.300 20 30 EGEDRM N#Cc1ncc(NC(=O)c2ccc(F)c(F)c2[O-])cc1C(F)(F)F ZINC001192797572 1367876171 /nfs/dbraw/zinc/87/61/71/1367876171.db2.gz RUNAUIGBQWBZCH-UHFFFAOYSA-N -1 0 343.211 3.208 20 30 EGEDRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C#N)cc2CC)c1 ZINC001192805977 1367878371 /nfs/dbraw/zinc/87/83/71/1367878371.db2.gz YZLYYDBHHBKMPG-UHFFFAOYSA-N -1 0 344.436 3.492 20 30 EGEDRM C[C@H](C#N)S(=O)(=O)[N-]c1cccc2c1ccn2C(=O)OC(C)(C)C ZINC001193159050 1367957109 /nfs/dbraw/zinc/95/71/09/1367957109.db2.gz ZGYRFKATTYUUKM-LLVKDONJSA-N -1 0 349.412 3.078 20 30 EGEDRM Cc1ccccc1-c1cc(NC(=O)c2ccc([O-])c(C#N)c2)n(C)n1 ZINC001193499436 1368046327 /nfs/dbraw/zinc/04/63/27/1368046327.db2.gz RJWLRTZWZVLDLP-UHFFFAOYSA-N -1 0 332.363 3.225 20 30 EGEDRM N#Cc1cc(C(=O)NC(=N)Cc2cccc(C(F)(F)F)c2)ccc1[O-] ZINC001193516133 1368051020 /nfs/dbraw/zinc/05/10/20/1368051020.db2.gz ZVTSYYKLBIGQMP-UHFFFAOYSA-N -1 0 347.296 3.232 20 30 EGEDRM N#Cc1cc(C(=O)NCCC(C(F)(F)F)C(F)(F)F)ccc1[O-] ZINC001193519018 1368051248 /nfs/dbraw/zinc/05/12/48/1368051248.db2.gz MCUJKJMSMFYJTJ-UHFFFAOYSA-N -1 0 340.223 3.125 20 30 EGEDRM N#Cc1cccc(C(=O)N2CCn3cccc3[C@@H]2c2ccccc2)c1[O-] ZINC001193634543 1368080487 /nfs/dbraw/zinc/08/04/87/1368080487.db2.gz FHJOUMTXDKFTNM-IBGZPJMESA-N -1 0 343.386 3.311 20 30 EGEDRM C=CCCCCN(C)S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC001193999974 1368164221 /nfs/dbraw/zinc/16/42/21/1368164221.db2.gz PWJYHMOBJIJJGJ-UHFFFAOYSA-N -1 0 349.811 3.154 20 30 EGEDRM N#Cc1ccnc([N-]S(=O)(=O)c2ccc(-c3cccs3)cc2)c1 ZINC001194131421 1368188747 /nfs/dbraw/zinc/18/87/47/1368188747.db2.gz XJHJOXWERBIYNF-UHFFFAOYSA-N -1 0 341.417 3.483 20 30 EGEDRM Cn1[n-]c(C(=O)Nc2cc(-c3ccc(F)cc3)sc2C#N)cc1=O ZINC001194189977 1368203851 /nfs/dbraw/zinc/20/38/51/1368203851.db2.gz NISDGUFVDLYVOC-UHFFFAOYSA-N -1 0 342.355 3.117 20 30 EGEDRM Cc1ccc(C#N)c([N-]S(=O)(=O)c2ncccc2C(F)(F)F)c1 ZINC001194524285 1368278529 /nfs/dbraw/zinc/27/85/29/1368278529.db2.gz HFRNBIWFNXIGMF-UHFFFAOYSA-N -1 0 341.314 3.081 20 30 EGEDRM COc1cc(C)c(S(=O)(=O)[N-]c2sccc2C#N)c(C)c1C ZINC001194839198 1368332664 /nfs/dbraw/zinc/33/26/64/1368332664.db2.gz RQHDDJZAXYANNX-UHFFFAOYSA-N -1 0 336.438 3.354 20 30 EGEDRM C[C@@H](O)c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)cc1 ZINC001196680037 1368661007 /nfs/dbraw/zinc/66/10/07/1368661007.db2.gz UJSZRDZSRAQLJY-SNVBAGLBSA-N -1 0 336.800 3.066 20 30 EGEDRM COc1cc(C)c(S(=O)(=O)[N-]c2c(F)cccc2C#N)c(C)c1 ZINC001196877684 1368704685 /nfs/dbraw/zinc/70/46/85/1368704685.db2.gz LPEIUDRQGYYSJX-UHFFFAOYSA-N -1 0 334.372 3.124 20 30 EGEDRM COc1cc(C#N)c(F)cc1NC(=S)Nc1ccc(C(=O)[O-])cc1 ZINC001197116219 1368747300 /nfs/dbraw/zinc/74/73/00/1368747300.db2.gz RGYOVHLLURCTMX-UHFFFAOYSA-N -1 0 345.355 3.213 20 30 EGEDRM CCCCCCCC(=O)c1ccc([O-])c(C(=O)NC2CC(=O)C2)c1 ZINC001197366096 1368799184 /nfs/dbraw/zinc/79/91/84/1368799184.db2.gz UJWNIVGUHSWQCH-UHFFFAOYSA-N -1 0 331.412 3.397 20 30 EGEDRM C=C(C)CNC(=O)c1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1 ZINC001197384125 1368803114 /nfs/dbraw/zinc/80/31/14/1368803114.db2.gz JXUNZNGZJRTCEH-UHFFFAOYSA-N -1 0 341.251 3.305 20 30 EGEDRM N#Cc1ncccc1[N-]S(=O)(=O)Cc1cccc(Cl)c1Cl ZINC001197717799 1368879767 /nfs/dbraw/zinc/87/97/67/1368879767.db2.gz NJRSDBMGPCTNBJ-UHFFFAOYSA-N -1 0 342.207 3.202 20 30 EGEDRM N#Cc1c(Cl)c(Cl)ccc1[N-]S(=O)(=O)Cc1ccccn1 ZINC001197829636 1368908762 /nfs/dbraw/zinc/90/87/62/1368908762.db2.gz YEBRCVQDXCUJIM-UHFFFAOYSA-N -1 0 342.207 3.202 20 30 EGEDRM CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2cccc(Cl)n2)cc1 ZINC001198235213 1368985991 /nfs/dbraw/zinc/98/59/91/1368985991.db2.gz VMSRPRFAUUNFBB-UHFFFAOYSA-N -1 0 335.816 3.337 20 30 EGEDRM Cc1ccc(-n2ncc(C#N)c2Nc2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC001199802817 1369275051 /nfs/dbraw/zinc/27/50/51/1369275051.db2.gz ZCOCWXLGCOUXJL-UHFFFAOYSA-N -1 0 335.323 3.410 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2cc(C3CCCC3)no2)cc1C#N ZINC001201292718 1369512074 /nfs/dbraw/zinc/51/20/74/1369512074.db2.gz JDWOWEKKICZMLQ-UHFFFAOYSA-N -1 0 331.397 3.313 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2c(C#N)oc3ccccc32)cc1C#N ZINC001201295188 1369512638 /nfs/dbraw/zinc/51/26/38/1369512638.db2.gz OAXVQLWJYXJYNO-UHFFFAOYSA-N -1 0 337.360 3.285 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2cnc3ccc(F)cc3c2)cc1C#N ZINC001201295155 1369512985 /nfs/dbraw/zinc/51/29/85/1369512985.db2.gz MPLWACVVCPYILE-UHFFFAOYSA-N -1 0 341.367 3.355 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2cccc3cc(F)cnc32)cc1C#N ZINC001201321967 1369519639 /nfs/dbraw/zinc/51/96/39/1369519639.db2.gz AMSDOFWDQIGAEF-UHFFFAOYSA-N -1 0 341.367 3.355 20 30 EGEDRM Cc1nc(Cl)sc1S(=O)(=O)[N-]c1ccc(F)c(CC#N)c1 ZINC001201765788 1369619390 /nfs/dbraw/zinc/61/93/90/1369619390.db2.gz VJTKCGWVBHBWHG-UHFFFAOYSA-N -1 0 345.808 3.111 20 30 EGEDRM COC(=O)c1cc(C#N)ccc1Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001203329454 1370083791 /nfs/dbraw/zinc/08/37/91/1370083791.db2.gz DBYBOZYPLLMSTJ-UHFFFAOYSA-N -1 0 332.262 3.065 20 30 EGEDRM COC(=O)c1ccc(Nc2cc(F)c(C(=O)[O-])c(F)c2)c(C#N)c1 ZINC001203333624 1370087542 /nfs/dbraw/zinc/08/75/42/1370087542.db2.gz GFQHZUGTLUALMF-UHFFFAOYSA-N -1 0 332.262 3.065 20 30 EGEDRM O=C(CCc1nc(-c2ccc(-n3cccn3)cc2)no1)C1=CC=C[CH]1 ZINC001204656995 1370538620 /nfs/dbraw/zinc/53/86/20/1370538620.db2.gz XTUSLXIAPFNVOX-UHFFFAOYSA-N -1 0 331.355 3.124 20 30 EGEDRM CCOC(=O)c1ccc(C#N)c(-c2ccc(F)c(C(=O)[O-])c2F)c1 ZINC001205095496 1370647947 /nfs/dbraw/zinc/64/79/47/1370647947.db2.gz IZUJNVSCEMGPQS-UHFFFAOYSA-N -1 0 331.274 3.378 20 30 EGEDRM CCn1cc(-c2ccsc2C(=O)[O-])c2sc(C#N)cc2c1=O ZINC001205615256 1370811524 /nfs/dbraw/zinc/81/15/24/1370811524.db2.gz XWWKTNCTEZWKRC-UHFFFAOYSA-N -1 0 330.390 3.381 20 30 EGEDRM C=CC[C@H](NC(=O)Nc1ccc(COC2CCCC2)cc1)C(=O)[O-] ZINC001116888008 1370995195 /nfs/dbraw/zinc/99/51/95/1370995195.db2.gz QFQLPPIFZNNHHM-INIZCTEOSA-N -1 0 332.400 3.297 20 30 EGEDRM C=CC[C@H](NC(=O)NCc1cccc(-c2cccc(C)c2)c1)C(=O)[O-] ZINC001116899168 1370997457 /nfs/dbraw/zinc/99/74/57/1370997457.db2.gz DMOLCBWBIFLLNV-SFHVURJKSA-N -1 0 338.407 3.491 20 30 EGEDRM N#Cc1ccc(Nc2cccc3cc(S(=O)(=O)[O-])ccc32)cn1 ZINC001209616422 1372152566 /nfs/dbraw/zinc/15/25/66/1372152566.db2.gz URFRGAHNXKVRJO-UHFFFAOYSA-N -1 0 325.349 3.097 20 30 EGEDRM CC[C@H](C)n1nc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)cc1C ZINC001122498930 1372260438 /nfs/dbraw/zinc/26/04/38/1372260438.db2.gz CJTOWMLMWPERCO-FZMZJTMJSA-N -1 0 348.410 3.178 20 30 EGEDRM COC(=O)c1sc(Nc2cccc(CC(=O)[O-])c2)c(C#N)c1C ZINC001210068104 1372265672 /nfs/dbraw/zinc/26/56/72/1372265672.db2.gz IFIVUMZDNBLLHH-UHFFFAOYSA-N -1 0 330.365 3.086 20 30 EGEDRM Cc1cccnc1Oc1ccc(C([O-])=C(C#N)C(=O)N2CCCC2)cc1 ZINC001122534597 1372268579 /nfs/dbraw/zinc/26/85/79/1372268579.db2.gz ZVYUAXKCKYLSAL-QGZVFWFLSA-N -1 0 349.390 3.127 20 30 EGEDRM N#CC(=C([O-])c1csc(N2CCCCC2)n1)c1cccc(F)n1 ZINC001122738208 1372310571 /nfs/dbraw/zinc/31/05/71/1372310571.db2.gz QYZNOFTZJMEIFF-NSHDSACASA-N -1 0 330.388 3.158 20 30 EGEDRM CC(C)(C)OC(=O)c1ncccc1Nc1cc(C#N)c(F)cc1[O-] ZINC001210959199 1372461617 /nfs/dbraw/zinc/46/16/17/1372461617.db2.gz MFRKNCYNBTZCON-UHFFFAOYSA-N -1 0 329.331 3.497 20 30 EGEDRM CCCCCCCCS(=O)(=O)[N-]CC(F)(F)c1ccccn1 ZINC001188028643 1388220846 /nfs/dbraw/zinc/22/08/46/1388220846.db2.gz GIMMUYVTDUMBKY-UHFFFAOYSA-N -1 0 334.432 3.453 20 30 EGEDRM N#Cc1cnccc1Nc1ccc2c(cccc2S(=O)(=O)[O-])c1 ZINC001214015153 1372993985 /nfs/dbraw/zinc/99/39/85/1372993985.db2.gz DMPTZJZISBAJLL-UHFFFAOYSA-N -1 0 325.349 3.097 20 30 EGEDRM C=CCn1cnc2c1ncnc2Nc1ccc(Cl)c(C(=O)[O-])c1F ZINC001215696430 1373233040 /nfs/dbraw/zinc/23/30/40/1373233040.db2.gz QKNOEVQBJDOXAG-UHFFFAOYSA-N -1 0 347.737 3.247 20 30 EGEDRM Cn1cc(C(=O)Nc2cc(C#N)c(F)cc2[O-])c(C(F)(F)F)c1 ZINC001188269491 1388278834 /nfs/dbraw/zinc/27/88/34/1388278834.db2.gz JSZMVPJBTDONNO-UHFFFAOYSA-N -1 0 327.237 3.013 20 30 EGEDRM CCCCCCC[C@@H](CCCCCC)Oc1c([O-])c(=O)c(=O)c1=O ZINC001225830059 1375162029 /nfs/dbraw/zinc/16/20/29/1375162029.db2.gz DMPBBIXKLBQCHA-CQSZACIVSA-N -1 0 338.444 3.427 20 30 EGEDRM N#Cc1cc(F)c(=O)[n-]c1O[C@H]1CC[C@@H](OCc2ccccc2)C1 ZINC001226016391 1375190739 /nfs/dbraw/zinc/19/07/39/1375190739.db2.gz SVHJFNSHBDPIPF-CABCVRRESA-N -1 0 328.343 3.315 20 30 EGEDRM C=C[C@]1(C)CC[C@H](Oc2ccc(-n3nn[n-]c3=S)cc2)C(C)(C)O1 ZINC001228438905 1375571919 /nfs/dbraw/zinc/57/19/19/1375571919.db2.gz RPMZIYSPDNKHLC-WMLDXEAASA-N -1 0 346.456 3.232 20 30 EGEDRM C=C[C@@H](Oc1cc([O-])c(C(=O)OC)cc1[N+](=O)[O-])c1ccccc1 ZINC001228815271 1375686135 /nfs/dbraw/zinc/68/61/35/1375686135.db2.gz UDZJWBGDNTZJKZ-OAHLLOKOSA-N -1 0 329.308 3.393 20 30 EGEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ccccc1C(C)(C)CC ZINC001231313992 1376227948 /nfs/dbraw/zinc/22/79/48/1376227948.db2.gz PZPUFWURZURGNW-AWEZNQCLSA-N -1 0 342.457 3.212 20 30 EGEDRM C=CC[C@@H](C)Oc1cc(O)cc2oc3c(O)ccc(O)c3c(=O)c12 ZINC001234118690 1376770321 /nfs/dbraw/zinc/77/03/21/1376770321.db2.gz IWUIPQUCAZMFII-SECBINFHSA-N -1 0 328.320 3.406 20 30 EGEDRM C#C[C@@H](Oc1cc(O)cc([O-])c1C(=O)c1cccc(O)c1)C(C)C ZINC001234162853 1376782033 /nfs/dbraw/zinc/78/20/33/1376782033.db2.gz RRBXNMKTBYMJFC-MRXNPFEDSA-N -1 0 326.348 3.071 20 30 EGEDRM CC(=O)c1cccc(S(=O)(=O)[N-]c2c(C)ccc(C)c2C#N)c1 ZINC001189240876 1388492335 /nfs/dbraw/zinc/49/23/35/1388492335.db2.gz DAUCLSKMCQOVFH-UHFFFAOYSA-N -1 0 328.393 3.179 20 30 EGEDRM C=CC[C@H](C)C(=O)Nc1cc2c(cc1[O-])C(=O)c1ccccc1C2=O ZINC001144020519 1378671755 /nfs/dbraw/zinc/67/17/55/1378671755.db2.gz KBSDDHKEAKNKFH-NSHDSACASA-N -1 0 335.359 3.318 20 30 EGEDRM C=C(C(=O)Nc1ccc(F)c(Br)c1[O-])C(F)(F)F ZINC001144208765 1378699140 /nfs/dbraw/zinc/69/91/40/1378699140.db2.gz OHPYZYSDBIMRJG-UHFFFAOYSA-N -1 0 328.059 3.351 20 30 EGEDRM N#Cc1cc(NC(=O)c2cc3cc(Cl)cnc3[nH]2)c([O-])cc1F ZINC001151303576 1379696901 /nfs/dbraw/zinc/69/69/01/1379696901.db2.gz YETNMQBUSWXFOJ-UHFFFAOYSA-N -1 0 330.706 3.185 20 30 EGEDRM CCOC(=O)Nc1ccc(NC(=O)c2cccc([O-])c2F)cc1C#N ZINC001151776101 1379777937 /nfs/dbraw/zinc/77/79/37/1379777937.db2.gz GQPWULFWHOVJBR-UHFFFAOYSA-N -1 0 343.314 3.224 20 30 EGEDRM Cn1c(NC(=O)c2cc(=O)c3cc(C#N)ccc3[n-]2)cc2ccccc21 ZINC001154553720 1380304857 /nfs/dbraw/zinc/30/48/57/1380304857.db2.gz XRQLBTMQQVOECQ-UHFFFAOYSA-N -1 0 342.358 3.144 20 30 EGEDRM N#Cc1cc(NC(=O)c2cc3c(cc2F)C(=O)CCC3)c([O-])cc1F ZINC001157053411 1380762977 /nfs/dbraw/zinc/76/29/77/1380762977.db2.gz ANWZYTPGWTYTHB-UHFFFAOYSA-N -1 0 342.301 3.313 20 30 EGEDRM COc1ccc(Nc2ccc(Cl)c(C#N)c2)c(S(=O)(=O)[O-])c1 ZINC001174404788 1385105842 /nfs/dbraw/zinc/10/58/42/1385105842.db2.gz YZKDKZPLCWJIOY-UHFFFAOYSA-N -1 0 338.772 3.211 20 30 EGEDRM COC(=O)c1sc(Nc2ccc(C(=O)[O-])c(OC)c2)c(C#N)c1C ZINC001174681172 1385133380 /nfs/dbraw/zinc/13/33/80/1385133380.db2.gz NWMIRDIFLCEWBQ-UHFFFAOYSA-N -1 0 346.364 3.165 20 30 EGEDRM CCOC(=O)c1c(C)oc(Nc2ccc(CC(=O)[O-])cc2)c1C#N ZINC001174951579 1385173943 /nfs/dbraw/zinc/17/39/43/1385173943.db2.gz IBCJWKXOWQKANJ-UHFFFAOYSA-N -1 0 328.324 3.007 20 30 EGEDRM CCc1cc(OCC(=O)Nc2cc(C#N)ccc2[O-])ccc1Cl ZINC001318980461 1385907910 /nfs/dbraw/zinc/90/79/10/1385907910.db2.gz VDFBKVHUKTWEHB-UHFFFAOYSA-N -1 0 330.771 3.497 20 30 EGEDRM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1cnc(Cl)cc1Cl ZINC001319994640 1386442301 /nfs/dbraw/zinc/44/23/01/1386442301.db2.gz VJTAOFQAKGIZAB-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM O=C([O-])Cc1ccc(C(=O)/C=C\c2cccc(Br)n2)cc1 ZINC001320126744 1386526540 /nfs/dbraw/zinc/52/65/40/1386526540.db2.gz DFRDZIHKLLUHJQ-HJWRWDBZSA-N -1 0 346.180 3.367 20 30 EGEDRM Cc1nc(C)c(C(C)N=Nc2ccc(C(C)(C)C)nn2)cc1C(=O)[O-] ZINC001320453447 1386613316 /nfs/dbraw/zinc/61/33/16/1386613316.db2.gz JYCHYUAMSYZCJB-UHFFFAOYSA-N -1 0 341.415 3.320 20 30 EGEDRM C#Cc1cccc(NC(=O)N[C@@H](Cc2ccccc2Cl)C(=O)[O-])c1 ZINC001321108869 1386812066 /nfs/dbraw/zinc/81/20/66/1386812066.db2.gz GQQMZIQLSAVMDR-INIZCTEOSA-N -1 0 342.782 3.139 20 30 EGEDRM C=CC[C@@H](NC(=O)CCCOc1cccc2ccccc21)C(=O)[O-] ZINC001321340859 1386881093 /nfs/dbraw/zinc/88/10/93/1386881093.db2.gz ZPBHEZLTXXKDIM-MRXNPFEDSA-N -1 0 327.380 3.144 20 30 EGEDRM C=CC[C@H](NC(=O)[C@@H](C)Cc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC001322603052 1387212114 /nfs/dbraw/zinc/21/21/14/1387212114.db2.gz VSGIEEXXFJUAHW-GWCFXTLKSA-N -1 0 329.318 3.030 20 30 EGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CCc1ccccn1 ZINC001340420295 1390286179 /nfs/dbraw/zinc/28/61/79/1390286179.db2.gz COIHFTMCLPBQBC-MRXNPFEDSA-N -1 0 331.375 3.396 20 30 EGEDRM C=CC[C@H](Cc1ccccc1)NC(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C ZINC001340585261 1390320754 /nfs/dbraw/zinc/32/07/54/1390320754.db2.gz LOIHHFORNDTTAA-DJIMGWMZSA-N -1 0 330.428 3.069 20 30 EGEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1ccnc2cc(Cl)ccc21 ZINC001342111093 1390572967 /nfs/dbraw/zinc/57/29/67/1390572967.db2.gz KBKYYDAWXHCILQ-OAHLLOKOSA-N -1 0 341.798 3.269 20 30 EGEDRM N#CC(=C([O-])c1csc(C2CC2)n1)c1nc(N)c2ccccc2n1 ZINC001342537340 1390623842 /nfs/dbraw/zinc/62/38/42/1390623842.db2.gz JPIHKBOMJFPEKU-LLVKDONJSA-N -1 0 335.392 3.036 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(Cn2cccc2)cc1 ZINC001342561905 1390626504 /nfs/dbraw/zinc/62/65/04/1390626504.db2.gz VATGOTPGIVRCJF-SFHVURJKSA-N -1 0 337.423 3.165 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(OC(F)F)cc1F ZINC001343474835 1390716356 /nfs/dbraw/zinc/71/63/56/1390716356.db2.gz UYKFNXHRBUKLLN-GFCCVEGCSA-N -1 0 342.317 3.056 20 30 EGEDRM C=C(C)Cn1c(-c2c[n-]n(CC)c2=O)nnc1N(CC)CCCC ZINC001346670730 1390968374 /nfs/dbraw/zinc/96/83/74/1390968374.db2.gz NWOLPNFFHWSZDL-UHFFFAOYSA-N -1 0 332.452 3.070 20 30 EGEDRM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cnc(CC(C)C)s3)nc1-2 ZINC001347286468 1391047837 /nfs/dbraw/zinc/04/78/37/1391047837.db2.gz NHFMHRKYINPHRZ-LLVKDONJSA-N -1 0 339.424 3.411 20 30 EGEDRM COc1ccc(C=CC(=O)c2cc(C)sc2C)cc1-c1nn[n-]n1 ZINC000737082741 1429376512 /nfs/dbraw/zinc/37/65/12/1429376512.db2.gz YVSFXLAEHNPZLM-XQRVVYSFSA-N -1 0 340.408 3.450 20 30 EGEDRM Fc1cc(-c2nn[n-]n2)ccc1OCC#Cc1ccc(Cl)cc1 ZINC000822748143 1424045003 /nfs/dbraw/zinc/04/50/03/1424045003.db2.gz KDFFOKZQQQIWPE-UHFFFAOYSA-N -1 0 328.734 3.090 20 30 EGEDRM N#CCC[C@H](Nc1snc(Cl)c1-c1nn[n-]n1)c1ccccc1 ZINC000826381318 1425529644 /nfs/dbraw/zinc/52/96/44/1425529644.db2.gz HBBCQRLKSLGHFT-JTQLQIEISA-N -1 0 345.819 3.434 20 30 EGEDRM N#Cc1ccc(F)cc1COc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000822829658 1426580930 /nfs/dbraw/zinc/58/09/30/1426580930.db2.gz CERCCUCRPIBGAG-UHFFFAOYSA-N -1 0 329.722 3.110 20 30 EGEDRM C=CCN(Cc1cnc(CC)s1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823914297 1426703880 /nfs/dbraw/zinc/70/38/80/1426703880.db2.gz DWIKVXRQFRABBC-UHFFFAOYSA-N -1 0 340.456 3.074 20 30 EGEDRM COc1ccc2c(c1)C(=O)C(=Cc1ccccc1-c1nn[n-]n1)CC2 ZINC000826211928 1426904660 /nfs/dbraw/zinc/90/46/60/1426904660.db2.gz ALDUJOLKUSECPQ-GXDHUFHOSA-N -1 0 332.363 3.088 20 30 EGEDRM COc1ccc(Cl)cc1C(=O)C=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737098228 1427092413 /nfs/dbraw/zinc/09/24/13/1427092413.db2.gz RKYSVJJMUWQWCG-YWEYNIOJSA-N -1 0 340.770 3.425 20 30 EGEDRM O=C(C=Cc1nccc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000737809924 1427271939 /nfs/dbraw/zinc/27/19/39/1427271939.db2.gz VRDYATZHCVGJSK-MDZDMXLPSA-N -1 0 327.347 3.311 20 30 EGEDRM N#Cc1ccc(CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1 ZINC000737718818 1427444784 /nfs/dbraw/zinc/44/47/84/1427444784.db2.gz PMUVHLZWZIDBCT-UHFFFAOYSA-N -1 0 344.300 3.369 20 30 EGEDRM COc1cc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)ccc1F ZINC000826177194 1427489184 /nfs/dbraw/zinc/48/91/84/1427489184.db2.gz WCCZJHMEWHMPHA-CLTKARDFSA-N -1 0 342.305 3.050 20 30 EGEDRM COc1ccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)c(F)c1 ZINC000826187378 1427513723 /nfs/dbraw/zinc/51/37/23/1427513723.db2.gz NPAHEDDHIWJMCX-XVNBXDOJSA-N -1 0 342.305 3.050 20 30 EGEDRM CC(=NNc1ccc(OC(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000735451136 1427641664 /nfs/dbraw/zinc/64/16/64/1427641664.db2.gz PPEPHBQKJWXRJZ-UHFFFAOYSA-N -1 0 344.325 3.304 20 30 EGEDRM O=C1c2cc(F)cc(F)c2CC1=Cc1ccc(-c2nn[n-]n2)s1 ZINC000826475958 1427809142 /nfs/dbraw/zinc/80/91/42/1427809142.db2.gz XKIQIYHGXNVIHH-CLTKARDFSA-N -1 0 330.319 3.029 20 30 EGEDRM Oc1ccc2ccccc2c1C=NCc1ccc(-c2nn[n-]n2)cc1F ZINC000738400423 1428153299 /nfs/dbraw/zinc/15/32/99/1428153299.db2.gz GTHURACLQSIQPO-SRZZPIQSSA-N -1 0 347.353 3.484 20 30 EGEDRM C=C[C@@H](CC(=O)Nc1sccc1-c1nnn[n-]1)c1ccccc1 ZINC000823883634 1428167336 /nfs/dbraw/zinc/16/73/36/1428167336.db2.gz WCNSFEFUWDHMBR-NSHDSACASA-N -1 0 325.397 3.227 20 30 EGEDRM O=C1c2ccccc2SCC1=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000823503542 1429790610 /nfs/dbraw/zinc/79/06/10/1429790610.db2.gz GRUNQBWTFCCKGO-KPKJPENVSA-N -1 0 338.367 3.378 20 30 EGEDRM CC(C)Oc1ccc(NCc2ccc(-c3nn[n-]n3)cc2)cc1C#N ZINC000820173974 1442263101 /nfs/dbraw/zinc/26/31/01/1442263101.db2.gz OCPRJKILANRICC-UHFFFAOYSA-N -1 0 334.383 3.138 20 30 EGEDRM O=C1c2ccc(Cl)cc2CC1=Cc1cc(-c2nnn[n-]2)cs1 ZINC000823503374 1443376371 /nfs/dbraw/zinc/37/63/71/1443376371.db2.gz FBSVOXYRDNWPDB-WEVVVXLNSA-N -1 0 328.784 3.404 20 30 EGEDRM Cc1cc2ccccc2nc1NN=Cc1ccccc1-c1nn[n-]n1 ZINC000826272932 1446196751 /nfs/dbraw/zinc/19/67/51/1446196751.db2.gz HOOYZNQJUGYYMO-UHFFFAOYSA-N -1 0 329.367 3.169 20 30 EGEDRM CC(N=Nc1cc(F)c(F)cc1F)c1ccc(-c2nn[n-]n2)s1 ZINC000823958580 1446366389 /nfs/dbraw/zinc/36/63/89/1446366389.db2.gz RIHSCDXTUCLYTA-UHFFFAOYSA-N -1 0 338.318 3.182 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)c1ccc(Oc2cccc(Cl)c2)cc1 ZINC001602692749 971305477 /nfs/dbraw/zinc/30/54/77/971305477.db2.gz YZXSRTOUBZJFDJ-UHFFFAOYSA-N -1 0 343.766 3.292 20 30 EGEDRM C[C@@](C#N)(CCc1ccccc1)NC(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001602781509 971524852 /nfs/dbraw/zinc/52/48/52/971524852.db2.gz AQKKPOCFVPZSDC-QIBOZCLASA-N -1 0 338.363 3.022 20 30 EGEDRM C[C@H](C#N)CSc1ccccc1NC(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000263480368 950486175 /nfs/dbraw/zinc/48/61/75/950486175.db2.gz KQKNMHLDCYQUIE-NEPJUHHUSA-N -1 0 335.429 3.123 20 30 EGEDRM CC(C)(C)CC[C@@H](NC(=O)c1[nH]c2ccccc2c1C#N)C(=O)[O-] ZINC001602861122 971717971 /nfs/dbraw/zinc/71/79/71/971717971.db2.gz JMNYNGABONKZGE-CQSZACIVSA-N -1 0 327.384 3.049 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1nc(-c2cccc(Cl)c2)cs1 ZINC000819865515 955459746 /nfs/dbraw/zinc/45/97/46/955459746.db2.gz MICUQUNYAIGOJB-OAHLLOKOSA-N -1 0 349.799 3.407 20 30 EGEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001589079641 955844027 /nfs/dbraw/zinc/84/40/27/955844027.db2.gz UVIHLFYLXUFNIL-AWEZNQCLSA-N -1 0 336.391 3.393 20 30 EGEDRM N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CC[C@H]2C(=O)[O-])cc1 ZINC001594600936 956127758 /nfs/dbraw/zinc/12/77/58/956127758.db2.gz CVSLWXAFCZWNRL-KURKYZTESA-N -1 0 334.375 3.391 20 30 EGEDRM N#CC[C@H](CC(=O)N1CCC(CCC(=O)[O-])CC1)c1ccccc1 ZINC001594606565 956184687 /nfs/dbraw/zinc/18/46/87/956184687.db2.gz VSQMNTAQAHFNNQ-QGZVFWFLSA-N -1 0 328.412 3.177 20 30 EGEDRM N#CCCSc1ccccc1NCC1(O)CCC(C(=O)[O-])CC1 ZINC001594610233 956200962 /nfs/dbraw/zinc/20/09/62/956200962.db2.gz OFSAUAWRQNWVJV-UHFFFAOYSA-N -1 0 334.441 3.110 20 30 EGEDRM N#Cc1cc(N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)c([N+](=O)[O-])s1 ZINC001594616727 956243719 /nfs/dbraw/zinc/24/37/19/956243719.db2.gz YTNZCBWRQAMSQX-NEPJUHHUSA-N -1 0 329.337 3.253 20 30 EGEDRM N#Cc1ccc(C2(C(=O)N3CCC[C@@H](CC(=O)[O-])C3)CCCC2)cc1 ZINC000901455189 956317494 /nfs/dbraw/zinc/31/74/94/956317494.db2.gz ZWLCNAYQSVRNJS-INIZCTEOSA-N -1 0 340.423 3.083 20 30 EGEDRM N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001594626715 956319900 /nfs/dbraw/zinc/31/99/00/956319900.db2.gz FXAALQNQVDGRBF-FSNWXROXSA-N -1 0 336.347 3.056 20 30 EGEDRM N#Cc1ccc(CC(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)cc1 ZINC000901552269 956338240 /nfs/dbraw/zinc/33/82/40/956338240.db2.gz MXBORLOHCUCFDW-UHFFFAOYSA-N -1 0 348.402 3.205 20 30 EGEDRM N#Cc1ccccc1N(Cc1ccccc1)C(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC001594631443 956341595 /nfs/dbraw/zinc/34/15/95/956341595.db2.gz AVNQLWIQOFOMNG-IAGOWNOFSA-N -1 0 334.375 3.202 20 30 EGEDRM N#Cc1ccc(CC(=O)N2C[C@H](CCC(=O)[O-])Cc3ccccc32)cc1 ZINC000902830901 956821172 /nfs/dbraw/zinc/82/11/72/956821172.db2.gz SZVFDMQYHVOMOL-QGZVFWFLSA-N -1 0 348.402 3.171 20 30 EGEDRM C=CCOc1ccccc1CNC(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001263062508 957283467 /nfs/dbraw/zinc/28/34/67/957283467.db2.gz WHOVAICJBAOIIB-HNNXBMFYSA-N -1 0 346.427 3.038 20 30 EGEDRM C#CCN(CC(=O)[O-])Cc1cccc2c(Br)cccc12 ZINC001588424006 958210058 /nfs/dbraw/zinc/21/00/58/958210058.db2.gz ISSNJUQXBUMEKD-UHFFFAOYSA-N -1 0 332.197 3.122 20 30 EGEDRM COc1cc(/C=C\C(=O)c2ccc(OCC(=O)[O-])cc2)cc(OC)c1 ZINC000096792550 958340849 /nfs/dbraw/zinc/34/08/49/958340849.db2.gz GKDHGHJSMQGLTN-BAQGIRSFSA-N -1 0 342.347 3.063 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)N[C@@H](c1cccc(Cl)c1)C1CCCC1 ZINC001573317370 958447881 /nfs/dbraw/zinc/44/78/81/958447881.db2.gz GTAUELWDHWRJTQ-QGZVFWFLSA-N -1 0 348.830 3.301 20 30 EGEDRM CC(C)(C)c1ccc(C(C)(C)CNC(=O)[C@](C)(C#N)CC(=O)[O-])cc1 ZINC001588538653 958944766 /nfs/dbraw/zinc/94/47/66/958944766.db2.gz LXTDDOWJJBQVIB-FQEVSTJZSA-N -1 0 344.455 3.382 20 30 EGEDRM CC(C)(C)[C@@H]1CCc2nc(NC(=O)[C@](C)(C#N)CC(=O)[O-])sc2C1 ZINC001588539977 958956290 /nfs/dbraw/zinc/95/62/90/958956290.db2.gz IXPPVWOEZYCDPC-QGHHPUGFSA-N -1 0 349.456 3.237 20 30 EGEDRM C=CCOc1ccccc1C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000391919997 972390245 /nfs/dbraw/zinc/39/02/45/972390245.db2.gz FJMLZQOYECEUSC-UHFFFAOYSA-N -1 0 333.290 3.480 20 30 EGEDRM CC(C)(C)[C@H](C(=O)[O-])C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl ZINC001588636071 959661097 /nfs/dbraw/zinc/66/10/97/959661097.db2.gz UHWACONVBQCVIA-QWRGUYRKSA-N -1 0 343.210 3.421 20 30 EGEDRM Cc1ccc(C)c2c1OC/C(=C/c1ccc(OCC(=O)[O-])cc1)C2=O ZINC001318057619 960916690 /nfs/dbraw/zinc/91/66/90/960916690.db2.gz QCCUFYIYEZITQF-DHDCSXOGSA-N -1 0 338.359 3.426 20 30 EGEDRM CCCC[C@@H](ON=C(C)C)C(=O)N[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001573841487 961083580 /nfs/dbraw/zinc/08/35/80/961083580.db2.gz UGOKTYXBCXHEEB-CABCVRRESA-N -1 0 338.379 3.039 20 30 EGEDRM C#CCCOc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2F)cc1 ZINC001573302279 962647589 /nfs/dbraw/zinc/64/75/89/962647589.db2.gz UFKTZVUFNFINQS-UHFFFAOYSA-N -1 0 327.311 3.178 20 30 EGEDRM C=CCC[C@@H](NC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)c1ccccc1 ZINC001357261754 962756839 /nfs/dbraw/zinc/75/68/39/962756839.db2.gz MCWIJYRYCQJQFD-RCCFBDPRSA-N -1 0 342.439 3.446 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)c1csc(NC2CCCCC2)n1)C(=O)[O-] ZINC001573323887 962778120 /nfs/dbraw/zinc/77/81/20/962778120.db2.gz IZJZPTHTEQCWEC-GFCCVEGCSA-N -1 0 337.445 3.037 20 30 EGEDRM C=C(C)C[C@H](NC(=O)c1csc(Cc2ccc(F)cc2)n1)C(=O)[O-] ZINC001573324650 962788919 /nfs/dbraw/zinc/78/89/19/962788919.db2.gz WSKYGCXGRHKQIU-ZDUSSCGKSA-N -1 0 348.399 3.022 20 30 EGEDRM C=C(C)COCCNC(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC001573325130 962793044 /nfs/dbraw/zinc/79/30/44/962793044.db2.gz DJVYWJWATCALGT-UHFFFAOYSA-N -1 0 328.368 3.252 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC001573332640 962839318 /nfs/dbraw/zinc/83/93/18/962839318.db2.gz PZIWTJYBJRRGOE-CYBMUJFWSA-N -1 0 330.409 3.381 20 30 EGEDRM C=CCCCCn1c(N2CCC[C@H](C(=O)[O-])C2)nnc1C(C)(C)C ZINC001573366681 963061263 /nfs/dbraw/zinc/06/12/63/963061263.db2.gz OHXORNJWMDZZDJ-AWEZNQCLSA-N -1 0 334.464 3.233 20 30 EGEDRM C=C(C)CN(Cc1ccccc1)C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001588440068 964034353 /nfs/dbraw/zinc/03/43/53/964034353.db2.gz MTQOWKUREDQKJW-UHFFFAOYSA-N -1 0 339.391 3.369 20 30 EGEDRM Cc1cc(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])ccc1-c1ccccc1 ZINC001605172590 972878966 /nfs/dbraw/zinc/87/89/66/972878966.db2.gz KRYFVIZIVUYYJG-HXUWFJFHSA-N -1 0 336.391 3.283 20 30 EGEDRM Cc1cc(CNC(=O)[C@](C)(C#N)CC(=O)[O-])ccc1-c1ccccc1 ZINC001605172588 972879027 /nfs/dbraw/zinc/87/90/27/972879027.db2.gz KRYFVIZIVUYYJG-FQEVSTJZSA-N -1 0 336.391 3.283 20 30 EGEDRM N#Cc1ccc(N2CCC3(C[C@@H]3C(=O)[O-])CC2)c(Br)c1 ZINC000405368143 973852157 /nfs/dbraw/zinc/85/21/57/973852157.db2.gz MCNULOMCIXPDDA-LLVKDONJSA-N -1 0 335.201 3.012 20 30 EGEDRM N#Cc1ccc(NC(=O)C2(CC(=O)[O-])CCC2)cc1C(F)(F)F ZINC001605613423 973931909 /nfs/dbraw/zinc/93/19/09/973931909.db2.gz ZZXRWBVTPWPESB-UHFFFAOYSA-N -1 0 326.274 3.161 20 30 EGEDRM CN(C(=O)/C=C\c1ccc(C(=O)[O-])o1)c1ccc(C#N)c(Cl)c1 ZINC001604028612 974553878 /nfs/dbraw/zinc/55/38/78/974553878.db2.gz LIJLCEMOAAAUEC-ALCCZGGFSA-N -1 0 330.727 3.179 20 30 EGEDRM CC(C)c1scnc1C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001592116600 976915002 /nfs/dbraw/zinc/91/50/02/976915002.db2.gz BEMDVYLJHWYOBU-ZDUSSCGKSA-N -1 0 330.365 3.121 20 30 EGEDRM C[C@@H](CC(=O)N(CC#N)CCC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001592225769 977413019 /nfs/dbraw/zinc/41/30/19/977413019.db2.gz NNZFMYXNBBKLDH-NSHDSACASA-N -1 0 342.317 3.026 20 30 EGEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001592225939 977413731 /nfs/dbraw/zinc/41/37/31/977413731.db2.gz QDTXHMQMUPNTLY-SNVBAGLBSA-N -1 0 329.381 3.359 20 30 EGEDRM C[C@H](CC1(C#N)CCOCC1)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC001592459496 978178747 /nfs/dbraw/zinc/17/87/47/978178747.db2.gz MIMUDEAYJJQOLE-HUUCEWRRSA-N -1 0 330.428 3.461 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1N=NC(C)c1ccc2c(c1)CCO2 ZINC000756899115 978700498 /nfs/dbraw/zinc/70/04/98/978700498.db2.gz QOSDVYNOIUQDTF-UHFFFAOYSA-N -1 0 326.352 3.164 20 30 EGEDRM Cc1cc(CN=Nc2ccc(C(=O)[O-])cn2)c(OC(F)F)cc1C ZINC000763369069 978721301 /nfs/dbraw/zinc/72/13/01/978721301.db2.gz TXEKIIKGAKUROI-UHFFFAOYSA-N -1 0 335.310 3.444 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1NN=Cc1c[nH]nc1-c1ccsc1 ZINC000780235229 978784788 /nfs/dbraw/zinc/78/47/88/978784788.db2.gz GMQGCJGFHJDDJW-UHFFFAOYSA-N -1 0 342.380 3.291 20 30 EGEDRM O=C([O-])COc1ccc(/C=C\C(=O)c2ccnn2-c2ccccc2)cc1 ZINC000798372743 978836020 /nfs/dbraw/zinc/83/60/20/978836020.db2.gz OZPLAJYEGZXAJO-FLIBITNWSA-N -1 0 348.358 3.232 20 30 EGEDRM O=C([O-])Cn1cc(CN=Nc2ccc(F)cc2F)c2ccccc21 ZINC000799865222 978841594 /nfs/dbraw/zinc/84/15/94/978841594.db2.gz XLNYIKPBKNSMSB-UHFFFAOYSA-N -1 0 329.306 3.450 20 30 EGEDRM C#CCOc1ccc(NC(=O)c2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000811817023 978860535 /nfs/dbraw/zinc/86/05/35/978860535.db2.gz LYFZRKMNLAGPHH-UHFFFAOYSA-N -1 0 329.739 3.303 20 30 EGEDRM Cc1cccc(C)c1NC(=S)NN=C1CC[C@@H](CC(=O)[O-])[C@H]1C ZINC000814706935 978875220 /nfs/dbraw/zinc/87/52/20/978875220.db2.gz HGUZHDFCEZVMDU-OLZOCXBDSA-N -1 0 333.457 3.467 20 30 EGEDRM C[C@H]1C(N=Nc2ccnc(Br)c2)CC[C@@H]1CC(=O)[O-] ZINC000814904451 978897966 /nfs/dbraw/zinc/89/79/66/978897966.db2.gz JURYYVXGBNQETA-RKDXNWHRSA-N -1 0 326.194 3.133 20 30 EGEDRM CC[C@H](C)n1nc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1C ZINC001595021569 979097920 /nfs/dbraw/zinc/09/79/20/979097920.db2.gz AUXRSYYRRPLHIV-MEDUHNTESA-N -1 0 341.367 3.017 20 30 EGEDRM C=CCc1cc(C(=O)N[C@H](C[C@H](C)CC)C(=O)[O-])cc(OC)c1OC ZINC000844158834 979350648 /nfs/dbraw/zinc/35/06/48/979350648.db2.gz UDYJLMNPUQRBTC-IUODEOHRSA-N -1 0 349.427 3.052 20 30 EGEDRM CCC(CC)(NC(=O)C1(c2ccc(C#N)cc2)CCCC1)C(=O)[O-] ZINC001595092879 979387246 /nfs/dbraw/zinc/38/72/46/979387246.db2.gz JPDKKJSROSCWDX-UHFFFAOYSA-N -1 0 328.412 3.130 20 30 EGEDRM CCC(CC)CN(CCC#N)CC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001595111534 979458121 /nfs/dbraw/zinc/45/81/21/979458121.db2.gz KAZMORHQUNOHPU-UHFFFAOYSA-N -1 0 345.443 3.284 20 30 EGEDRM COCCc1nc(C)c(C(C)=NNc2ccc(CC(=O)[O-])cc2)s1 ZINC000848415356 979468040 /nfs/dbraw/zinc/46/80/40/979468040.db2.gz ZWNDPBHQPVRNIR-UHFFFAOYSA-N -1 0 347.440 3.104 20 30 EGEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC001592833343 979570866 /nfs/dbraw/zinc/57/08/66/979570866.db2.gz GBGXAUDJZBCECY-WFASDCNBSA-N -1 0 342.420 3.131 20 30 EGEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCc2ccc(C(=O)[O-])cc21 ZINC001592834173 979573441 /nfs/dbraw/zinc/57/34/41/979573441.db2.gz LVOURYJVDWFUAD-ZDUSSCGKSA-N -1 0 334.375 3.024 20 30 EGEDRM C=C(C)C[C@H](NC(=O)/C=C\c1csc(C(F)(F)F)c1)C(=O)[O-] ZINC000864188262 979836163 /nfs/dbraw/zinc/83/61/63/979836163.db2.gz RRRPWBUSLKITPV-XOULXFPDSA-N -1 0 333.331 3.316 20 30 EGEDRM CCC1CCC(NC(=O)c2cccc(SCC#N)c2)(C(=O)[O-])CC1 ZINC001595425722 981046657 /nfs/dbraw/zinc/04/66/57/981046657.db2.gz ZRUVRJBRWFGRRA-UHFFFAOYSA-N -1 0 346.452 3.456 20 30 EGEDRM C=CCSc1ccccc1C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 ZINC000907956266 981245513 /nfs/dbraw/zinc/24/55/13/981245513.db2.gz DOKFOCNJPZWSKR-GBOPCIDUSA-N -1 0 331.437 3.194 20 30 EGEDRM CCC[C@H](NC(=O)N1CCC(C#N)(C(=O)[O-])CC1)C1CCCCC1 ZINC001595598358 981568437 /nfs/dbraw/zinc/56/84/37/981568437.db2.gz KNIWZUYLNNVBIP-HNNXBMFYSA-N -1 0 335.448 3.135 20 30 EGEDRM C#CC[C@@H](NC(=O)c1cc(C)ccc1SC1CCCC1)C(=O)[O-] ZINC000910045029 981742627 /nfs/dbraw/zinc/74/26/27/981742627.db2.gz UGXTXIRVRWKPGN-OAHLLOKOSA-N -1 0 331.437 3.236 20 30 EGEDRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)/C=C\c1ccccc1C#N ZINC001594779516 981781152 /nfs/dbraw/zinc/78/11/52/981781152.db2.gz AOALBXDUXYISCX-OEIFXAAASA-N -1 0 326.396 3.063 20 30 EGEDRM C=CCCC[C@@H](C(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F)c1ccccc1 ZINC000910487803 981960578 /nfs/dbraw/zinc/96/05/78/981960578.db2.gz VRUCCXUZRISJJD-ILXRZTDVSA-N -1 0 337.366 3.209 20 30 EGEDRM CCCCC1CCC(NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)CC1 ZINC001595660451 982070237 /nfs/dbraw/zinc/07/02/37/982070237.db2.gz FFOFERCSIUELGC-UHFFFAOYSA-N -1 0 335.448 3.135 20 30 EGEDRM C=CCCC[C@H](NC(=O)Cc1csc(-c2ccc(C)o2)n1)C(=O)[O-] ZINC000910919273 982164473 /nfs/dbraw/zinc/16/44/73/982164473.db2.gz WEFKDMBBNIAHTH-ZDUSSCGKSA-N -1 0 348.424 3.180 20 30 EGEDRM C=C1CCC(CNC(=O)c2ccc(OCC(=O)[O-])c(OCC)c2)CC1 ZINC000910991308 982185523 /nfs/dbraw/zinc/18/55/23/982185523.db2.gz OVMWCQDDYLBVMN-UHFFFAOYSA-N -1 0 347.411 3.025 20 30 EGEDRM CCCCCCCNS(=O)(=O)c1ccc(C(C)(C)C(=O)[O-])cc1 ZINC001595704446 982275106 /nfs/dbraw/zinc/27/51/06/982275106.db2.gz NMBBUXRHJFNILP-UHFFFAOYSA-N -1 0 341.473 3.298 20 30 EGEDRM CCCCCCCCC(=O)NC1(C(=O)[O-])CCC(C(=O)OC)CC1 ZINC001595705314 982284327 /nfs/dbraw/zinc/28/43/27/982284327.db2.gz VPOGXKFNRIMAGD-UHFFFAOYSA-N -1 0 341.448 3.040 20 30 EGEDRM CCOC(=O)Cc1ccc(C(=O)/C=C\c2ccc(C(=O)[O-])cc2)cc1 ZINC000915105813 982662505 /nfs/dbraw/zinc/66/25/05/982662505.db2.gz FWMVEBKBKJHKOK-GHXNOFRVSA-N -1 0 338.359 3.387 20 30 EGEDRM CCCN(C(=O)c1ccc(C)c(C(=O)[O-])c1)c1snc(C)c1C#N ZINC001595826482 982709910 /nfs/dbraw/zinc/70/99/10/982709910.db2.gz HQVNRMRQGYVJIC-UHFFFAOYSA-N -1 0 343.408 3.387 20 30 EGEDRM CC[C@](CNC(=O)[C@@]1(C#N)CC12CCCC2)(C(=O)[O-])c1ccccc1 ZINC000923080569 982711779 /nfs/dbraw/zinc/71/17/79/982711779.db2.gz NARWMZVPKJUMKW-UXHICEINSA-N -1 0 340.423 3.009 20 30 EGEDRM C[C@@H](CC(=O)[O-])NC(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC001574003679 983152380 /nfs/dbraw/zinc/15/23/80/983152380.db2.gz DFMJUQLJFSCMBH-LBPRGKRZSA-N -1 0 340.404 3.302 20 30 EGEDRM CCCc1c(C(=O)[C@@H](C#N)c2nc(C)cs2)[nH]c(C)c1C(=O)[O-] ZINC001596029051 983293645 /nfs/dbraw/zinc/29/36/45/983293645.db2.gz GFVAHQKLVHQWJI-LLVKDONJSA-N -1 0 331.397 3.229 20 30 EGEDRM C#C[C@@H](C)N(C)C(=O)c1ccccc1SCc1occc1C(=O)[O-] ZINC001588368151 983303843 /nfs/dbraw/zinc/30/38/43/983303843.db2.gz HKYMFMSMVHWQPE-GFCCVEGCSA-N -1 0 343.404 3.364 20 30 EGEDRM C#C[C@@H](NC(=O)c1[nH]c(CC)c(C(=O)[O-])c1C)c1ccc(Cl)cc1 ZINC001588373305 983337466 /nfs/dbraw/zinc/33/74/66/983337466.db2.gz CPFRGESEBSDJCA-CYBMUJFWSA-N -1 0 344.798 3.341 20 30 EGEDRM C#C[C@H](NC(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1)c1ccccc1 ZINC001588373520 983338649 /nfs/dbraw/zinc/33/86/49/983338649.db2.gz GQUFTPLWSXBWIR-INIZCTEOSA-N -1 0 333.347 3.362 20 30 EGEDRM C#C[C@@H](NC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1)c1ccccc1 ZINC001588374490 983344416 /nfs/dbraw/zinc/34/44/16/983344416.db2.gz YBQPOZHBGAJTKW-RCCFBDPRSA-N -1 0 334.375 3.371 20 30 EGEDRM C#C[C@H](NC(=O)c1ccc(/C=C/C(=O)[O-])o1)c1ccc(Cl)cc1F ZINC001588377492 983357423 /nfs/dbraw/zinc/35/74/23/983357423.db2.gz MWEVYRGQVUNVFH-GPAKFWEMSA-N -1 0 347.729 3.274 20 30 EGEDRM C#CCC(CC#C)C(=O)O[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001588389750 983388026 /nfs/dbraw/zinc/38/80/26/983388026.db2.gz ABFLHOKRARNRIO-AWEZNQCLSA-N -1 0 339.174 3.325 20 30 EGEDRM C#CC[C@@H](NC(=O)c1ccccc1Sc1ccccc1)C(=O)[O-] ZINC001588417117 983438582 /nfs/dbraw/zinc/43/85/82/983438582.db2.gz YKNOTROUSOULPT-OAHLLOKOSA-N -1 0 325.389 3.044 20 30 EGEDRM C#CCN1C(=O)c2ccccc2N[C@@]12CCC[C@@H](CCCC(=O)[O-])C2 ZINC001588471444 983506275 /nfs/dbraw/zinc/50/62/75/983506275.db2.gz OBPJKMZEXULFJR-QRWLVFNGSA-N -1 0 340.423 3.329 20 30 EGEDRM C#CCOc1cccc([C@@H](C)OC(=O)c2ccc(C(=O)[O-])cc2F)c1 ZINC001588497802 983541700 /nfs/dbraw/zinc/54/17/00/983541700.db2.gz DCFKNHNVBKBRCL-GFCCVEGCSA-N -1 0 342.322 3.454 20 30 EGEDRM C#CCOc1ccccc1-c1noc([C@@H]2CCC[C@@H](C(=O)[O-])C2)n1 ZINC001588504457 983547736 /nfs/dbraw/zinc/54/77/36/983547736.db2.gz XEONLYVKRHBSSE-CHWSQXEVSA-N -1 0 326.352 3.107 20 30 EGEDRM C#Cc1ccc(NC(=O)N2CCc3c(F)ccc(C(=O)[O-])c3C2)cc1 ZINC001588518075 983567862 /nfs/dbraw/zinc/56/78/62/983567862.db2.gz PGTMMTMESZPKFD-UHFFFAOYSA-N -1 0 338.338 3.095 20 30 EGEDRM C#Cc1ccccc1CC(=O)O[C@H](Cc1ccc(Cl)cc1)C(=O)[O-] ZINC001588528841 983578668 /nfs/dbraw/zinc/57/86/68/983578668.db2.gz JJILQFRSYSJZDO-QGZVFWFLSA-N -1 0 342.778 3.103 20 30 EGEDRM C=C(Br)COc1ccc(C(=O)[O-])cc1Br ZINC001588529347 983581096 /nfs/dbraw/zinc/58/10/96/983581096.db2.gz WDPNBEVQOWDGPM-UHFFFAOYSA-N -1 0 335.979 3.435 20 30 EGEDRM C=C(C)[C@@H](CC(=O)O[C@@H](C(=O)[O-])c1ccc(Cl)cc1)OCC ZINC001588535335 983588596 /nfs/dbraw/zinc/58/85/96/983588596.db2.gz MSBUSXIYMLVHOB-UKRRQHHQSA-N -1 0 326.776 3.380 20 30 EGEDRM C=C(C)C[C@H](NC(=O)Cc1csc(-c2cccc(C)c2)n1)C(=O)[O-] ZINC001588543591 983611985 /nfs/dbraw/zinc/61/19/85/983611985.db2.gz KTIYMKBUNDAQSM-HNNXBMFYSA-N -1 0 344.436 3.197 20 30 EGEDRM C=C(C)C[C@H](Nc1ccc(Br)cc1[N+](=O)[O-])C(=O)[O-] ZINC001588554932 983632722 /nfs/dbraw/zinc/63/27/22/983632722.db2.gz UXYANJYXFBGEJK-JTQLQIEISA-N -1 0 329.150 3.189 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N(C)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001588607262 983700171 /nfs/dbraw/zinc/70/01/71/983700171.db2.gz XMPJPRARTILWBR-HZPDHXFCSA-N -1 0 331.412 3.112 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1cc(C)n(-c2cc(C)cc(C)c2)n1 ZINC001588629271 983736592 /nfs/dbraw/zinc/73/65/92/983736592.db2.gz DVQGCHPFYBPBTK-UHFFFAOYSA-N -1 0 327.384 3.157 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(-c2cn3c(n2)CCCC3)cc1 ZINC001588629549 983737810 /nfs/dbraw/zinc/73/78/10/983737810.db2.gz LZCYFXPZHPPHLL-UHFFFAOYSA-N -1 0 339.395 3.246 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1C ZINC001588629496 983737887 /nfs/dbraw/zinc/73/78/87/983737887.db2.gz LJJZYWGBIURJBC-UHFFFAOYSA-N -1 0 344.411 3.027 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N[C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC001588630583 983745087 /nfs/dbraw/zinc/74/50/87/983745087.db2.gz RZSGSJQQANMNET-SNVBAGLBSA-N -1 0 331.290 3.183 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1cnn(-c2ccc(Cl)cc2)c1C ZINC001588634663 983753733 /nfs/dbraw/zinc/75/37/33/983753733.db2.gz ZOXNCMLRAALHAH-UHFFFAOYSA-N -1 0 333.775 3.194 20 30 EGEDRM C=C(Cl)C[C@@H](NCc1cc(C(=O)[O-])ccc1Cl)C(=O)OCC ZINC001588642093 983763901 /nfs/dbraw/zinc/76/39/01/983763901.db2.gz PUPIBXVNTZQQRX-CYBMUJFWSA-N -1 0 346.210 3.202 20 30 EGEDRM C=C[C@@H](C(=O)[O-])N1CC[C@H](CNC(=O)OC(C)(C)C)c2ccccc21 ZINC001588662676 983790906 /nfs/dbraw/zinc/79/09/06/983790906.db2.gz FHZXUMMTAZHPIA-HIFRSBDPSA-N -1 0 346.427 3.144 20 30 EGEDRM C=C[C@H](CC)CC(=O)N1CCN(c2ccc(C(=O)[O-])cc2)C[C@@H]1C ZINC001588690824 983877126 /nfs/dbraw/zinc/87/71/26/983877126.db2.gz MCCNCLFEQZGZJH-LSDHHAIUSA-N -1 0 330.428 3.024 20 30 EGEDRM C=CCC(F)(F)C(=O)N[C@H](C[C@@H]1CCCc2ccccc21)C(=O)[O-] ZINC001588742469 984032584 /nfs/dbraw/zinc/03/25/84/984032584.db2.gz DTFMFIFPLMVPFA-DZGCQCFKSA-N -1 0 337.366 3.277 20 30 EGEDRM C=CC[C@H](Sc1nc2cc(Br)c(C)nc2[nH]1)C(=O)[O-] ZINC001588759008 984108784 /nfs/dbraw/zinc/10/87/84/984108784.db2.gz NJMRZCRHSSSZMY-VIFPVBQESA-N -1 0 342.218 3.150 20 30 EGEDRM C=CC[C@H](Sc1nc(=O)c2c3c(sc2[nH]1)CCCC3)C(=O)[O-] ZINC001588759163 984110316 /nfs/dbraw/zinc/11/03/16/984110316.db2.gz QMDKNIZLPHKSPA-JTQLQIEISA-N -1 0 336.438 3.397 20 30 EGEDRM C=CCCC[C@H](NC(=O)[C@H](CC)O[C@@H]1CCC[C@H](C)C1)C(=O)[O-] ZINC001588784968 984179175 /nfs/dbraw/zinc/17/91/75/984179175.db2.gz DPCDODKQJXUMBO-FZKCQIBNSA-N -1 0 325.449 3.286 20 30 EGEDRM C=CCCC[C@H](NC(=O)/C=C/c1nc2ccccc2s1)C(=O)[O-] ZINC001588789925 984202375 /nfs/dbraw/zinc/20/23/75/984202375.db2.gz NCJKSGSAVGKJIM-NHAQELONSA-N -1 0 330.409 3.235 20 30 EGEDRM C=CCCC[C@H](NC(=O)N1CCC(Cc2ccccc2)CC1)C(=O)[O-] ZINC001588793977 984223644 /nfs/dbraw/zinc/22/36/44/984223644.db2.gz HINLQHNASUJRFY-SFHVURJKSA-N -1 0 344.455 3.460 20 30 EGEDRM C=CCCC[C@@H](NC(=O)Cc1coc2cc3c(cc12)CCC3)C(=O)[O-] ZINC001588794255 984225997 /nfs/dbraw/zinc/22/59/97/984225997.db2.gz PJWQSYXHFKVXNP-QGZVFWFLSA-N -1 0 341.407 3.390 20 30 EGEDRM C=CCCc1ccccc1NC(=O)N1CCSC[C@@H](C(=O)[O-])C1 ZINC001588814679 984271983 /nfs/dbraw/zinc/27/19/83/984271983.db2.gz KVFPZIAWXHYODF-AWEZNQCLSA-N -1 0 334.441 3.087 20 30 EGEDRM C=CCN(C(=O)Nc1sc(C)c(C)c1C(=O)[O-])[C@@H](C)COC ZINC001588820538 984284673 /nfs/dbraw/zinc/28/46/73/984284673.db2.gz JKQBLWCYUIJJIB-VIFPVBQESA-N -1 0 326.418 3.118 20 30 EGEDRM C=CCN(Cc1ccccc1F)C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC001588831637 984315743 /nfs/dbraw/zinc/31/57/43/984315743.db2.gz FYFUVXCHAHFXFS-NTMALXAHSA-N -1 0 329.327 3.345 20 30 EGEDRM C=CCOc1cccc(NC(=O)NCc2ccccc2CC(=O)[O-])c1 ZINC001588873000 984443774 /nfs/dbraw/zinc/44/37/74/984443774.db2.gz YTYPHYUJBNVGQB-UHFFFAOYSA-N -1 0 340.379 3.200 20 30 EGEDRM C=CC[S@@](=O)(=NC(=O)Cc1ccccc1C(=O)[O-])c1ccccc1 ZINC001588878608 984454994 /nfs/dbraw/zinc/45/49/94/984454994.db2.gz FRYYRCRLEMDDCC-DEOSSOPVSA-N -1 0 343.404 3.167 20 30 EGEDRM C=CCn1c(S[C@@H](C(=O)[O-])[C@@H](C)CC)nnc1-c1cccnc1 ZINC001588905008 984534221 /nfs/dbraw/zinc/53/42/21/984534221.db2.gz LXOGUQMJLOKRBZ-WCQYABFASA-N -1 0 332.429 3.118 20 30 EGEDRM C[C@@H](C#N)CN(C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1)C1CC1 ZINC001589329758 986165682 /nfs/dbraw/zinc/16/56/82/986165682.db2.gz RTDTYAVKZSBOSD-JTQLQIEISA-N -1 0 326.356 3.022 20 30 EGEDRM C[C@H](C#N)OCCSCc1ccc(C(=O)[O-])cc1Br ZINC001589331958 986194695 /nfs/dbraw/zinc/19/46/95/986194695.db2.gz USFPEXMJTIBKBC-SECBINFHSA-N -1 0 344.230 3.309 20 30 EGEDRM C[C@@H]1CSCC1N=Nc1cc(C(=O)[O-])ccc1Br ZINC001594609344 986594456 /nfs/dbraw/zinc/59/44/56/986594456.db2.gz CFKALOXCJRNTLN-SSDOTTSWSA-N -1 0 329.219 3.298 20 30 EGEDRM C[C@@H]1Cc2c(C#N)c(NC(=O)[C@H]3CC[C@H]3C(=O)[O-])sc2[C@@H](C)C1 ZINC001594612745 986612513 /nfs/dbraw/zinc/61/25/13/986612513.db2.gz WABCMOSHDXOAPC-XWLWVQCSSA-N -1 0 332.425 3.355 20 30 EGEDRM CCC(=O)N(C)c1ccc(N[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC001594694910 987110047 /nfs/dbraw/zinc/11/00/47/987110047.db2.gz BNGDWZUNTYLQNP-SFHVURJKSA-N -1 0 337.379 3.169 20 30 EGEDRM CC(C)(C#N)c1ccc(C(=O)Nc2cccc(OCC(=O)[O-])c2)cc1 ZINC001589557718 987306445 /nfs/dbraw/zinc/30/64/45/987306445.db2.gz GEVYHFAGJBNELC-UHFFFAOYSA-N -1 0 338.363 3.203 20 30 EGEDRM CCc1ccc(C(=O)[O-])c(OC(=O)[C@@H](C)Oc2ccc(C#N)cc2)c1 ZINC001597503352 988070730 /nfs/dbraw/zinc/07/07/30/988070730.db2.gz QNJLVOCUVVAKEP-GFCCVEGCSA-N -1 0 339.347 3.192 20 30 EGEDRM CC(C)(CC#N)CNC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC001590615256 990288563 /nfs/dbraw/zinc/28/85/63/990288563.db2.gz PIQOROLVAXBNKK-UHFFFAOYSA-N -1 0 341.314 3.048 20 30 EGEDRM COc1ccc(NN=Cc2cc(C(=O)[O-])co2)c(C(F)(F)F)c1 ZINC001599596939 993760537 /nfs/dbraw/zinc/76/05/37/993760537.db2.gz AGNMBQJOHWSCCE-UHFFFAOYSA-N -1 0 328.246 3.451 20 30 EGEDRM COc1cccc(Cl)c1CN[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001599675833 994895871 /nfs/dbraw/zinc/89/58/71/994895871.db2.gz AFNZJMBZFFGSCW-MRXNPFEDSA-N -1 0 330.771 3.136 20 30 EGEDRM C[C@@H](Oc1ccccc1CNc1ccc(OCC#N)cc1)C(=O)[O-] ZINC001593650744 996008086 /nfs/dbraw/zinc/00/80/86/996008086.db2.gz HNGFIOOTIKLGRQ-CYBMUJFWSA-N -1 0 326.352 3.053 20 30 EGEDRM C[C@@]1(C#N)CCN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC001593743033 996365067 /nfs/dbraw/zinc/36/50/67/996365067.db2.gz NTZZMRIJUZZSKQ-KRWDZBQOSA-N -1 0 327.409 3.244 20 30 EGEDRM C[C@@]1(C#N)CCN(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)C1 ZINC001593743351 996367344 /nfs/dbraw/zinc/36/73/44/996367344.db2.gz VCUBONUPJCZGBE-KRWDZBQOSA-N -1 0 347.440 3.162 20 30 EGEDRM COc1ccc(C(=O)[O-])c2c1CN(Cc1ccc(C#N)cc1C)CC2 ZINC001599502150 997143443 /nfs/dbraw/zinc/14/34/43/997143443.db2.gz TUAFCUNFPZVVBL-UHFFFAOYSA-N -1 0 336.391 3.132 20 30 EGEDRM COc1ccc(C=NNc2ccc(C)c(C(=O)[O-])c2)c(C)c1OC ZINC001599543594 997886403 /nfs/dbraw/zinc/88/64/03/997886403.db2.gz JYMFHAFUKBHQHF-UHFFFAOYSA-N -1 0 328.368 3.465 20 30 EGEDRM COc1cc(OC)c(OC)cc1/C=C\C(=O)c1cc(C(=O)[O-])cs1 ZINC001599448998 998059537 /nfs/dbraw/zinc/05/95/37/998059537.db2.gz QCGBZEVCBBHWOK-PLNGDYQASA-N -1 0 348.376 3.368 20 30 EGEDRM COc1cc(OC)cc([C@H](Nc2ccc(CCC#N)cc2)C(=O)[O-])c1 ZINC001599452999 998138627 /nfs/dbraw/zinc/13/86/27/998138627.db2.gz JMIYAVMBHMGOPF-SFHVURJKSA-N -1 0 340.379 3.398 20 30 EGEDRM COc1cc(OCc2ccc(C(=O)[O-])c3cccnc23)ccc1C#N ZINC001599456628 998199177 /nfs/dbraw/zinc/19/91/77/998199177.db2.gz GXTATMISEMVRDU-UHFFFAOYSA-N -1 0 334.331 3.392 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1NC(=O)C(C)(C)c1ccc(C#N)cc1 ZINC001599371816 998422816 /nfs/dbraw/zinc/42/28/16/998422816.db2.gz UJQYUCLNKYLXIR-UHFFFAOYSA-N -1 0 338.363 3.181 20 30 EGEDRM C[C@@H]1C[C@H](CCNC(=O)N2CCC(C#N)(C(=O)[O-])CC2)CC(C)(C)C1 ZINC001594231193 998878353 /nfs/dbraw/zinc/87/83/53/998878353.db2.gz BHNWEWOSISPBPU-CABCVRRESA-N -1 0 349.475 3.239 20 30 EGEDRM C[C@H]1CC[C@](NC(=O)c2cc(C#N)cs2)(C(=O)[O-])c2ccccc21 ZINC001594315140 999219755 /nfs/dbraw/zinc/21/97/55/999219755.db2.gz UEXGWGPNWIGOCV-BBATYDOGSA-N -1 0 340.404 3.227 20 30 EGEDRM C[C@H]1CCc2c(C#N)c(NC(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)sc2C1 ZINC001594443641 999631394 /nfs/dbraw/zinc/63/13/94/999631394.db2.gz HFANJHQRIGQDKV-GARJFASQSA-N -1 0 332.425 3.184 20 30 EGEDRM CCCCS(=O)(=O)[N-]C(=O)[C@H](C)Sc1ccc(OC)cc1 ZINC000048556249 213945410 /nfs/dbraw/zinc/94/54/10/213945410.db2.gz ZMCDYBLBZJVFIN-NSHDSACASA-N -1 0 331.459 3.262 20 30 EGEDRM C=CCOc1ccc(C(=O)N[C@]2(C)CCCC[C@@H]2C(=O)[O-])cc1OC ZINC000262706395 245132515 /nfs/dbraw/zinc/13/25/15/245132515.db2.gz AQAOYBWDOJELJG-AUUYWEPGSA-N -1 0 347.411 3.023 20 30 EGEDRM N#Cc1ccc(C2=CCN(C(=O)c3cccc([N+](=O)[O-])c3[O-])CC2)cc1 ZINC000378356299 169106988 /nfs/dbraw/zinc/10/69/88/169106988.db2.gz TWFNEURMWHPRGK-UHFFFAOYSA-N -1 0 349.346 3.102 20 30 EGEDRM N#Cc1nc(NC(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2Cl)[n-]c1C#N ZINC000095393137 218324729 /nfs/dbraw/zinc/32/47/29/218324729.db2.gz BIYSYZAPOCSBBP-UWVGGRQHSA-N -1 0 346.177 3.202 20 30 EGEDRM N#Cc1nc(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)[n-]c1C#N ZINC000095393139 218324825 /nfs/dbraw/zinc/32/48/25/218324825.db2.gz BIYSYZAPOCSBBP-VHSXEESVSA-N -1 0 346.177 3.202 20 30 EGEDRM CN(C)c1cc(C#N)cc(C(=O)Nc2cc(F)cc(Cl)c2[O-])c1 ZINC000347008287 156244480 /nfs/dbraw/zinc/24/44/80/156244480.db2.gz CMCLAXJHHOGRFX-UHFFFAOYSA-N -1 0 333.750 3.375 20 30 EGEDRM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000350897221 165078116 /nfs/dbraw/zinc/07/81/16/165078116.db2.gz OQDBSMPYBHXVOP-UHFFFAOYSA-N -1 0 344.289 3.224 20 30 EGEDRM CC(=Cc1nc2ccc(F)cc2s1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000435339574 270051140 /nfs/dbraw/zinc/05/11/40/270051140.db2.gz VPCHWGHVURZQSF-VMPITWQZSA-N -1 0 326.356 3.259 20 30 EGEDRM N#CCCCOc1cccc([N-]S(=O)(=O)c2ccc(C#N)s2)c1 ZINC000435496860 270051367 /nfs/dbraw/zinc/05/13/67/270051367.db2.gz MKXHERWGEWOXLD-UHFFFAOYSA-N -1 0 347.421 3.103 20 30 EGEDRM N#Cc1cccnc1[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000194717437 266139110 /nfs/dbraw/zinc/13/91/10/266139110.db2.gz MKTHOJQKEIHLNJ-UHFFFAOYSA-N -1 0 342.207 3.202 20 30 EGEDRM CC(C)CONC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000269670196 266337253 /nfs/dbraw/zinc/33/72/53/266337253.db2.gz NPIGPNITDBUJJZ-UHFFFAOYSA-N -1 0 330.413 3.315 20 30 EGEDRM Cc1cc(Oc2ccc(NC(=O)c3ccc(C#N)c([O-])c3)cc2)n[nH]1 ZINC000188652908 267352970 /nfs/dbraw/zinc/35/29/70/267352970.db2.gz HPRCNWDDKLDIFR-UHFFFAOYSA-N -1 0 334.335 3.340 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2cc(-c3cccc(F)c3F)[nH]n2)cc1[O-] ZINC000191134907 268046600 /nfs/dbraw/zinc/04/66/00/268046600.db2.gz MZXIMTFVJSERJT-UHFFFAOYSA-N -1 0 340.289 3.184 20 30 EGEDRM N#Cc1c(F)ccc(CN=c2[n-]nc(-c3cccs3)o2)c1Cl ZINC000432429645 268160869 /nfs/dbraw/zinc/16/08/69/268160869.db2.gz PWWAIUVYFREKMY-UHFFFAOYSA-N -1 0 334.763 3.496 20 30 EGEDRM N#Cc1cc(S(=O)(=O)[N-]c2cccc3c2OCCC3)ccc1Cl ZINC000464537347 268192157 /nfs/dbraw/zinc/19/21/57/268192157.db2.gz GDGRNIVYIGIJRL-UHFFFAOYSA-N -1 0 348.811 3.337 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2ccc(OCc3ccncc3)cc2)cc1[O-] ZINC000442653068 268206502 /nfs/dbraw/zinc/20/65/02/268206502.db2.gz OKVRPHVTHMHDFZ-UHFFFAOYSA-N -1 0 345.358 3.490 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCCCC3)cc2)o1 ZINC000288631918 268208297 /nfs/dbraw/zinc/20/82/97/268208297.db2.gz RTQFBNBSMMVGIG-UHFFFAOYSA-N -1 0 345.424 3.332 20 30 EGEDRM N#Cc1ccc(C(=O)[O-])nc1/C=C\c1cc(Cl)c2c(c1)OCCO2 ZINC000357569120 303189221 /nfs/dbraw/zinc/18/92/21/303189221.db2.gz PYUPJCIHVNHJPH-IWQZZHSRSA-N -1 0 342.738 3.246 20 30 EGEDRM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000063878478 307356226 /nfs/dbraw/zinc/35/62/26/307356226.db2.gz NVTWVXOQNHURKH-UHFFFAOYSA-N -1 0 326.299 3.085 20 30 EGEDRM Cc1cccc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)c1C#N ZINC000538365287 314242429 /nfs/dbraw/zinc/24/24/29/314242429.db2.gz VXDVITHGFDITIR-UHFFFAOYSA-N -1 0 330.409 3.455 20 30 EGEDRM CC(C)c1ccc(C[C@H](C)NS(=O)(=O)c2ccc(C#N)o2)cc1 ZINC000553869012 315285786 /nfs/dbraw/zinc/28/57/86/315285786.db2.gz INDCICJQSAPNNY-ZDUSSCGKSA-N -1 0 332.425 3.184 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cnc(-c3ccccc3)s2)o1 ZINC000569881690 316976413 /nfs/dbraw/zinc/97/64/13/316976413.db2.gz FTSAARASGKQYAL-UHFFFAOYSA-N -1 0 331.378 3.076 20 30 EGEDRM COc1ccc([N-]S(=O)(=O)c2ccc(C#N)s2)cc1Cl ZINC000230332796 456138082 /nfs/dbraw/zinc/13/80/82/456138082.db2.gz DOPSRKMQLQOSKT-UHFFFAOYSA-N -1 0 328.802 3.083 20 30 EGEDRM C=CCN(Cc1cccs1)C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000237976595 455240509 /nfs/dbraw/zinc/24/05/09/455240509.db2.gz QULOESZAJASPJW-UHFFFAOYSA-N -1 0 346.364 3.183 20 30 EGEDRM CCc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2)c2ccccc2n1 ZINC000180765627 455241392 /nfs/dbraw/zinc/24/13/92/455241392.db2.gz NALMXMDAFGNJDW-UHFFFAOYSA-N -1 0 337.404 3.470 20 30 EGEDRM N#Cc1nc(N2CCC[C@@H]2c2nc(C(=O)[O-])cs2)ccc1Cl ZINC000600676061 460565261 /nfs/dbraw/zinc/56/52/61/460565261.db2.gz SCAFTRUTNHOYKT-LLVKDONJSA-N -1 0 334.788 3.103 20 30 EGEDRM CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000026547773 453802898 /nfs/dbraw/zinc/80/28/98/453802898.db2.gz VGXRBNIPEBFAES-UHFFFAOYSA-N -1 0 345.380 3.197 20 30 EGEDRM C=C(C)COc1cccc([N-]S(=O)(=O)c2ccccc2C#N)c1 ZINC000066587694 453853430 /nfs/dbraw/zinc/85/34/30/453853430.db2.gz BFWZADAOXHWRRO-UHFFFAOYSA-N -1 0 328.393 3.314 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2c(C)noc2C(C)C)n1 ZINC000067893844 453977780 /nfs/dbraw/zinc/97/77/80/453977780.db2.gz ACVNPAKMCAJTKW-JTQLQIEISA-N -1 0 347.396 3.230 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)C2CCCC2)c(C(F)(F)F)c1 ZINC000058363803 454192577 /nfs/dbraw/zinc/19/25/77/454192577.db2.gz NYCRHERLOYXEFF-UHFFFAOYSA-N -1 0 346.330 3.412 20 30 EGEDRM O=C(Nc1cccc(C/N=C/c2ccc(O)c(O)c2O)c1)C1CCC1 ZINC000119409345 454193009 /nfs/dbraw/zinc/19/30/09/454193009.db2.gz NAZDAYZEIFFDRS-RGVLZGJSSA-N -1 0 340.379 3.161 20 30 EGEDRM O=C(C=Cc1nc2ccccc2s1)[N-]S(=O)(=O)c1cccnc1 ZINC000078776252 454316613 /nfs/dbraw/zinc/31/66/13/454316613.db2.gz MSGILSKJHNDKNW-BQYQJAHWSA-N -1 0 345.405 3.050 20 30 EGEDRM Cc1cccc(S(=O)(=O)[N-]C(=O)C=Cc2cccc([N+](=O)[O-])c2)c1 ZINC000073121497 454397317 /nfs/dbraw/zinc/39/73/17/454397317.db2.gz ATQFKKRQUKGXGT-CMDGGOBGSA-N -1 0 346.364 3.262 20 30 EGEDRM C=CCNC(=O)c1ccc(NC(=O)c2cc(Cl)ccc2[O-])cc1 ZINC000097699051 454444407 /nfs/dbraw/zinc/44/44/07/454444407.db2.gz YMWGEXAWFACELH-UHFFFAOYSA-N -1 0 330.771 3.214 20 30 EGEDRM Cc1nc(-c2ccccc2)ccc1C([O-])=C(C#N)C(=O)NC1CCCC1 ZINC000102051176 454492069 /nfs/dbraw/zinc/49/20/69/454492069.db2.gz KUZDAWXUUGXOKQ-GOSISDBHSA-N -1 0 347.418 3.438 20 30 EGEDRM N#CCC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000182147548 455446313 /nfs/dbraw/zinc/44/63/13/455446313.db2.gz UEFHNDHHJUKMFV-OAHLLOKOSA-N -1 0 325.324 3.075 20 30 EGEDRM O=C(C=Cc1ccnc(Cl)c1)[N-]S(=O)(=O)c1ccccc1F ZINC000092693761 454613049 /nfs/dbraw/zinc/61/30/49/454613049.db2.gz IUCBZCONACMVDO-AATRIKPKSA-N -1 0 340.763 3.233 20 30 EGEDRM Cc1cc([N-]S(=O)(=O)c2ccccc2C#N)ccc1OC(C)C ZINC000074983914 454670157 /nfs/dbraw/zinc/67/01/57/454670157.db2.gz DXJHAVBGCCFWOM-UHFFFAOYSA-N -1 0 330.409 3.455 20 30 EGEDRM CCN(C[C@H](C)C#N)C(=O)c1nn(-c2ccc(C(C)C)cc2)cc1[O-] ZINC000124234249 454709098 /nfs/dbraw/zinc/70/90/98/454709098.db2.gz VFVQBGFRNFXNDV-CQSZACIVSA-N -1 0 340.427 3.323 20 30 EGEDRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CCC(C#N)CC3)n2)c1 ZINC000176282922 454722679 /nfs/dbraw/zinc/72/26/79/454722679.db2.gz QZAYRMYCQOPJNV-UHFFFAOYSA-N -1 0 338.411 3.077 20 30 EGEDRM CC(C)CN(C(=O)Cn1[n-]c(C(C)(C)C)c(CCC#N)c1=O)C(C)C ZINC000153474165 454796832 /nfs/dbraw/zinc/79/68/32/454796832.db2.gz XAODMKFGCYJPMM-UHFFFAOYSA-N -1 0 348.491 3.235 20 30 EGEDRM N#Cc1nc(NC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2Cl)[n-]c1C#N ZINC000111561909 454869505 /nfs/dbraw/zinc/86/95/05/454869505.db2.gz NUWQOGKNUWTQSZ-BDAKNGLRSA-N -1 0 346.177 3.202 20 30 EGEDRM Cc1nn(C)cc1C([O-])=C(C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000113656417 454933400 /nfs/dbraw/zinc/93/34/00/454933400.db2.gz DEFCLXDGMRNRQL-CQSZACIVSA-N -1 0 347.403 3.214 20 30 EGEDRM CCCc1csc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)n1 ZINC000127286295 454951399 /nfs/dbraw/zinc/95/13/99/454951399.db2.gz HCVWLGLZQFMKJN-UHFFFAOYSA-N -1 0 341.845 3.421 20 30 EGEDRM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C#N)cc1F ZINC000183393690 455287005 /nfs/dbraw/zinc/28/70/05/455287005.db2.gz DKSJCOOYRZSNMM-UHFFFAOYSA-N -1 0 340.763 3.160 20 30 EGEDRM COc1cc(C([O-])=C(C#N)c2cnc3ccccc3n2)ccc1[N+](=O)[O-] ZINC000190918294 455406048 /nfs/dbraw/zinc/40/60/48/455406048.db2.gz CDXSRNYKTLLRMQ-GFCCVEGCSA-N -1 0 348.318 3.037 20 30 EGEDRM N#CC(=C([O-])c1ccn(C2CCCC2)n1)c1cnc2ccccc2n1 ZINC000190946453 455412365 /nfs/dbraw/zinc/41/23/65/455412365.db2.gz SLIYUYMPRRQRNN-CQSZACIVSA-N -1 0 331.379 3.431 20 30 EGEDRM C=CCOc1cccc([N-]S(=O)(=O)c2cnn(C3CCCC3)c2)c1 ZINC000632183149 460673804 /nfs/dbraw/zinc/67/38/04/460673804.db2.gz IRENQLLRSAQAJV-UHFFFAOYSA-N -1 0 347.440 3.364 20 30 EGEDRM N#Cc1ccc(NC(=O)NO[C@@H]2CCCCO2)cc1C(F)(F)F ZINC000161233015 455550526 /nfs/dbraw/zinc/55/05/26/455550526.db2.gz ZWBTXEVQRVQMQT-GFCCVEGCSA-N -1 0 329.278 3.157 20 30 EGEDRM COc1cc(C([O-])=C(C#N)c2nc(C)cs2)cc([N+](=O)[O-])c1C ZINC000192187897 455570685 /nfs/dbraw/zinc/57/06/85/455570685.db2.gz MUXJXLQTVMIXTK-NSHDSACASA-N -1 0 331.353 3.167 20 30 EGEDRM N#C[C@H]1CSCCN1C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000271808929 455768457 /nfs/dbraw/zinc/76/84/57/455768457.db2.gz YDJIQCFLWOQMFI-JTQLQIEISA-N -1 0 332.812 3.280 20 30 EGEDRM O=C([O-])Cn1cc(/C=C/C(=O)c2ccc(C3CCCCC3)cc2)nn1 ZINC000269132272 455795879 /nfs/dbraw/zinc/79/58/79/455795879.db2.gz MSDNQKQARKRXQI-ZHACJKMWSA-N -1 0 339.395 3.307 20 30 EGEDRM COc1ccc(C=CC(=O)[N-]S(=O)(=O)c2ccccc2)cc1OC ZINC000207800455 456019204 /nfs/dbraw/zinc/01/92/04/456019204.db2.gz AWBKPEMFCZKUAL-LUAWRHEFSA-N -1 0 347.392 3.062 20 30 EGEDRM CC(=O)N1CCC[C@@H](C/N=C/c2cc(Cl)cc(Cl)c2[O-])C1 ZINC000280990094 456103397 /nfs/dbraw/zinc/10/33/97/456103397.db2.gz MRPKERZNDYATJU-SXUYUPPPSA-N -1 0 329.227 3.376 20 30 EGEDRM N#Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(F)c2ncccc12 ZINC000612735525 460714682 /nfs/dbraw/zinc/71/46/82/460714682.db2.gz TZCCGOKDFWWWFN-UHFFFAOYSA-N -1 0 345.330 3.185 20 30 EGEDRM C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H](C)[C@H](C)C(=O)[O-] ZINC000263485199 456156207 /nfs/dbraw/zinc/15/62/07/456156207.db2.gz VJUBNWSYQBZYOW-VHSXEESVSA-N -1 0 345.317 3.109 20 30 EGEDRM C=CCSc1ccccc1NC(=O)CN(CC(=O)[O-])[C@H](C)CC ZINC000236854225 456193599 /nfs/dbraw/zinc/19/35/99/456193599.db2.gz NPPXRLMATMEMIP-CYBMUJFWSA-N -1 0 336.457 3.088 20 30 EGEDRM Cn1c2ccc(NC(=O)c3ccc(C#N)c([O-])c3)cc2nc1C1CC1 ZINC000189058422 456215512 /nfs/dbraw/zinc/21/55/12/456215512.db2.gz XNUKPNFXHNQQDG-UHFFFAOYSA-N -1 0 332.363 3.280 20 30 EGEDRM CC(C)N(C)c1ccc(/C=C/C(=O)c2ccc(CC(=O)[O-])cc2)cn1 ZINC000276561127 456517186 /nfs/dbraw/zinc/51/71/86/456517186.db2.gz BPVQFPBXKRYYHT-UXBLZVDNSA-N -1 0 338.407 3.449 20 30 EGEDRM CC(C)n1cc(C(=O)/C=C/c2cccc(O[C@@H](C)C(=O)[O-])c2)cn1 ZINC000299299860 456651500 /nfs/dbraw/zinc/65/15/00/456651500.db2.gz ACDRANPYTKMDTL-GWJCSSMESA-N -1 0 328.368 3.212 20 30 EGEDRM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)o2)c(Br)c1 ZINC000340773033 456678387 /nfs/dbraw/zinc/67/83/87/456678387.db2.gz FHRWNWIDDXIYAQ-UHFFFAOYSA-N -1 0 341.186 3.023 20 30 EGEDRM CC(C)c1ccc(S([O-])=CC(=O)NCc2cccc(C#N)c2)cc1 ZINC000341741832 456923659 /nfs/dbraw/zinc/92/36/59/456923659.db2.gz DBXRYQNJZVYZHQ-XMMPIXPASA-N -1 0 340.448 3.106 20 30 EGEDRM CC(C)n1cc(C#N)c(=NC(=O)c2cccc(-c3cscn3)c2)[n-]1 ZINC000345179205 456954833 /nfs/dbraw/zinc/95/48/33/456954833.db2.gz FORIGVIKZZSTTH-UHFFFAOYSA-N -1 0 337.408 3.133 20 30 EGEDRM CCS[C@@H]1CCC[C@@H](NC(=O)N=c2ccc(OC(C)C)n[n-]2)C1 ZINC000330012981 456974609 /nfs/dbraw/zinc/97/46/09/456974609.db2.gz LLEWWGBNBZTGHL-CHWSQXEVSA-N -1 0 338.477 3.076 20 30 EGEDRM C=CCSc1ccccc1C(=O)N=c1ccc(C(F)(F)F)n[n-]1 ZINC000362820674 457109275 /nfs/dbraw/zinc/10/92/75/457109275.db2.gz QAJBUMYXVGJSSF-UHFFFAOYSA-N -1 0 339.342 3.448 20 30 EGEDRM CCCc1n[n-]c(=NC(=O)N[C@@H]2CCC[C@@H](SCC)C2)s1 ZINC000331141389 457139088 /nfs/dbraw/zinc/13/90/88/457139088.db2.gz FJYUDBUAAFRUME-GHMZBOCLSA-N -1 0 328.507 3.303 20 30 EGEDRM N#CC(=C([O-])c1csc(-c2c(F)cccc2F)n1)c1ccncn1 ZINC000354464670 457240685 /nfs/dbraw/zinc/24/06/85/457240685.db2.gz KBXGPMVATLLOLA-VIFPVBQESA-N -1 0 342.330 3.368 20 30 EGEDRM CC(C)(C)c1nn(-c2ccccc2)cc1C([O-])=C(C#N)c1ccncn1 ZINC000354467245 457241796 /nfs/dbraw/zinc/24/17/96/457241796.db2.gz KYNKLDXBLAYCDX-HNNXBMFYSA-N -1 0 345.406 3.450 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(C(C)=O)s2)n1 ZINC000354661832 457303105 /nfs/dbraw/zinc/30/31/05/457303105.db2.gz UFYVJCDXGYKCBP-SECBINFHSA-N -1 0 348.405 3.074 20 30 EGEDRM N#CCc1ccc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC000351773858 457316314 /nfs/dbraw/zinc/31/63/14/457316314.db2.gz NPGQWSUFVWANNA-UHFFFAOYSA-N -1 0 331.715 3.272 20 30 EGEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]Cc2coc3ccccc23)c(F)c1 ZINC000342593961 457387523 /nfs/dbraw/zinc/38/75/23/457387523.db2.gz FKFIDGFJWQMGQG-UHFFFAOYSA-N -1 0 348.330 3.061 20 30 EGEDRM COc1ccc2c(c1[N-]S(=O)(=O)c1ccccc1CC#N)CCC2 ZINC000355846729 457423133 /nfs/dbraw/zinc/42/31/33/457423133.db2.gz UHQRACBSEDTOPM-UHFFFAOYSA-N -1 0 342.420 3.051 20 30 EGEDRM N#CCc1ccccc1S(=O)(=O)Nc1ccc(-c2ncco2)cc1 ZINC000355871776 457425879 /nfs/dbraw/zinc/42/58/79/457425879.db2.gz VUIDKGZVVMRYDP-UHFFFAOYSA-N -1 0 339.376 3.208 20 30 EGEDRM C=CCN=c1[n-]nc(S[C@H](C)C(=O)C2(c3ccccc3)CC2)s1 ZINC000361086057 457574476 /nfs/dbraw/zinc/57/44/76/457574476.db2.gz HLZYQFQRXPVGGN-GFCCVEGCSA-N -1 0 345.493 3.339 20 30 EGEDRM CC(C)(C)c1nc(=NC(=O)C(C)(C)Cc2ccc(C#N)cc2)s[n-]1 ZINC000410439889 457641339 /nfs/dbraw/zinc/64/13/39/457641339.db2.gz WLBOQIFPENCOOF-UHFFFAOYSA-N -1 0 342.468 3.337 20 30 EGEDRM C=CCCc1ccccc1NS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000443418416 457762365 /nfs/dbraw/zinc/76/23/65/457762365.db2.gz NLEQXKLUQMTCCR-UHFFFAOYSA-N -1 0 331.393 3.304 20 30 EGEDRM C=C(C)CS(=O)(=O)[N-][C@H](c1c[nH]c2ccccc21)C(F)(F)F ZINC000443445551 457766631 /nfs/dbraw/zinc/76/66/31/457766631.db2.gz MZZVSOSKANCSFS-CYBMUJFWSA-N -1 0 332.347 3.267 20 30 EGEDRM N#Cc1cccc(C2(C(=O)N=c3ccc(-c4ccccc4)n[n-]3)CC2)c1 ZINC000435271049 458112337 /nfs/dbraw/zinc/11/23/37/458112337.db2.gz UXGFMDDNOSVYRA-UHFFFAOYSA-N -1 0 340.386 3.107 20 30 EGEDRM N#CCc1cccc(C(=O)N(CC(=O)[O-])Cc2ccc(Cl)cc2)c1 ZINC000362514353 458236721 /nfs/dbraw/zinc/23/67/21/458236721.db2.gz YGYITLPXKMZGDS-UHFFFAOYSA-N -1 0 342.782 3.133 20 30 EGEDRM C[C@@](CC(=O)[O-])(C(=O)NCc1ccc(C#N)c(F)c1)C1CCCCC1 ZINC000414083851 458314286 /nfs/dbraw/zinc/31/42/86/458314286.db2.gz DXKOBMXYCAEYRF-IBGZPJMESA-N -1 0 346.402 3.375 20 30 EGEDRM COc1cc(OC)c2ncc(C#N)c(NCCCCCC(=O)[O-])c2c1 ZINC000416428811 458347633 /nfs/dbraw/zinc/34/76/33/458347633.db2.gz WBFGJJCTXHPINJ-UHFFFAOYSA-N -1 0 343.383 3.181 20 30 EGEDRM CCC(=O)c1ccc([O-])c(NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)c1 ZINC000436650501 458352273 /nfs/dbraw/zinc/35/22/73/458352273.db2.gz RQVUNZGMJNCBDI-MRXNPFEDSA-N -1 0 347.374 3.178 20 30 EGEDRM COCC1(C#N)CCN(C(=O)c2ccc(Cl)c(Cl)c2[O-])CC1 ZINC000436731199 458369246 /nfs/dbraw/zinc/36/92/46/458369246.db2.gz ZZGBPRFKHIQLLL-UHFFFAOYSA-N -1 0 343.210 3.091 20 30 EGEDRM C=CCCO[C@H](C)C(=O)N[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000449002519 458418519 /nfs/dbraw/zinc/41/85/19/458418519.db2.gz MUUNSPXFUPFDLU-RNCFNFMXSA-N -1 0 346.210 3.217 20 30 EGEDRM COc1cccc(N=c2[n-]nc(SCC3(C#N)CCC3)s2)c1 ZINC000450609869 458452718 /nfs/dbraw/zinc/45/27/18/458452718.db2.gz FIPMQWZYFQEJKV-UHFFFAOYSA-N -1 0 332.454 3.498 20 30 EGEDRM N#CC1(CS(=O)(=O)[N-][C@@H](c2ccccc2)C(F)F)CCCCC1 ZINC000431634261 458599502 /nfs/dbraw/zinc/59/95/02/458599502.db2.gz GJEAPJFYECIWAD-AWEZNQCLSA-N -1 0 342.411 3.386 20 30 EGEDRM C=CCCO[C@H](C)C(=O)N[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000455941910 458624300 /nfs/dbraw/zinc/62/43/00/458624300.db2.gz YKAULLXBIHMJHD-MFKMUULPSA-N -1 0 345.317 3.086 20 30 EGEDRM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000439624418 458733100 /nfs/dbraw/zinc/73/31/00/458733100.db2.gz JUAZUSUXEUQERC-UHFFFAOYSA-N -1 0 337.351 3.069 20 30 EGEDRM CCOc1cc(C)ccc1[N-]S(=O)(=O)c1cc(C#N)ccc1C ZINC000513367710 458794218 /nfs/dbraw/zinc/79/42/18/458794218.db2.gz YNYVXBXCIVXKBJ-UHFFFAOYSA-N -1 0 330.409 3.375 20 30 EGEDRM C[C@H]1CCc2onc(C([O-])=C(C#N)c3nc4ccccc4n3C)c2C1 ZINC000515034818 458804903 /nfs/dbraw/zinc/80/49/03/458804903.db2.gz URHNBOLJJLOLMF-WCQYABFASA-N -1 0 334.379 3.176 20 30 EGEDRM C=CCCCCNC(=O)N=c1[n-]nc(Cc2ccccc2F)s1 ZINC000473675278 458839392 /nfs/dbraw/zinc/83/93/92/458839392.db2.gz LCOYPPJULXWKHG-UHFFFAOYSA-N -1 0 334.420 3.168 20 30 EGEDRM C=C(CNC(=O)N=c1nc(SCCC)[n-]s1)c1ccccc1 ZINC000476167884 458982340 /nfs/dbraw/zinc/98/23/40/458982340.db2.gz VOAXUJOVJCPXEP-UHFFFAOYSA-N -1 0 334.470 3.297 20 30 EGEDRM CCn1ncc2cc(C([O-])=C(C#N)c3nc(C)cs3)c(C)nc21 ZINC000442026930 458988570 /nfs/dbraw/zinc/98/85/70/458988570.db2.gz HOVCQIPWYJWIRS-CYBMUJFWSA-N -1 0 325.397 3.015 20 30 EGEDRM C=CCC[C@H](NC(=O)NCc1cc(C)cc2c(C)c(C)[nH]c21)C(=O)[O-] ZINC000556710460 458993433 /nfs/dbraw/zinc/99/34/33/458993433.db2.gz MPPHVOKXQZGORR-INIZCTEOSA-N -1 0 343.427 3.312 20 30 EGEDRM C[C@@H](CN(C(=O)c1ccc(C#Cc2ccccc2)cc1)C1CC1)C(=O)[O-] ZINC000566906739 459020498 /nfs/dbraw/zinc/02/04/98/459020498.db2.gz ZBGIIVWMNPONDZ-INIZCTEOSA-N -1 0 347.414 3.412 20 30 EGEDRM N#Cc1ccc(NC(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc1 ZINC000566951669 459024931 /nfs/dbraw/zinc/02/49/31/459024931.db2.gz QQRWPULEIUCULX-CQSZACIVSA-N -1 0 347.733 3.298 20 30 EGEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(OCCC(C)C)cc1F ZINC000594465168 459055422 /nfs/dbraw/zinc/05/54/22/459055422.db2.gz XEBFOSIOTWYCGH-ZDUSSCGKSA-N -1 0 328.409 3.294 20 30 EGEDRM C=CC[C@H](CC)NC(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000567328493 459086351 /nfs/dbraw/zinc/08/63/51/459086351.db2.gz UAWNZQDFXWETCY-GWCFXTLKSA-N -1 0 328.771 3.259 20 30 EGEDRM C=CCCSCCNC(=O)N[C@H](C(=O)[O-])c1cc(C)cc(C)c1 ZINC000594689957 459131761 /nfs/dbraw/zinc/13/17/61/459131761.db2.gz BZZWBGFJSCTTQL-HNNXBMFYSA-N -1 0 336.457 3.038 20 30 EGEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000521381828 459144956 /nfs/dbraw/zinc/14/49/56/459144956.db2.gz NHZGOOJLJKJWBW-UHFFFAOYSA-N -1 0 340.763 3.160 20 30 EGEDRM Cc1ccc(-c2ccc(CN3C(=O)CC[C@H]3C(=O)[O-])cc2)c(C#N)c1 ZINC000594872146 459164482 /nfs/dbraw/zinc/16/44/82/459164482.db2.gz YBBMLOCSEZXJHO-SFHVURJKSA-N -1 0 334.375 3.109 20 30 EGEDRM N#CCCCOc1cccc(NC(=O)N=c2[n-]nc(C3CC3)s2)c1 ZINC000559146675 459239623 /nfs/dbraw/zinc/23/96/23/459239623.db2.gz JEHRUPMEQBFHNG-UHFFFAOYSA-N -1 0 343.412 3.164 20 30 EGEDRM N#CCc1cccc(C(=O)NC[C@@H]2CCCc3ccc(C(=O)[O-])cc32)c1 ZINC000595245616 459261681 /nfs/dbraw/zinc/26/16/81/459261681.db2.gz PAIDHKPSGOZYKF-SFHVURJKSA-N -1 0 348.402 3.301 20 30 EGEDRM C=CCn1c(-c2ccc(Cl)cc2)n[n-]c1=Nc1c(C)nn(C)c1C ZINC000581398528 459271669 /nfs/dbraw/zinc/27/16/69/459271669.db2.gz SYWNJNKWHLXHBH-UHFFFAOYSA-N -1 0 342.834 3.300 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2ccc(OCC(F)(F)F)cn2)n1 ZINC000568830441 459351101 /nfs/dbraw/zinc/35/11/01/459351101.db2.gz TWKPWUCHVAYVML-SNVBAGLBSA-N -1 0 341.314 3.278 20 30 EGEDRM N#CC1(CC(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)CCCCC1 ZINC000595988270 459492875 /nfs/dbraw/zinc/49/28/75/459492875.db2.gz GEBYRBMZXVJANF-DLBZAZTESA-N -1 0 340.423 3.177 20 30 EGEDRM CC(C)(C)c1nc(=NC2CCC(Oc3ccccc3C#N)CC2)[n-]o1 ZINC000541835484 459496518 /nfs/dbraw/zinc/49/65/18/459496518.db2.gz UOOGEWHXBPQCDC-UHFFFAOYSA-N -1 0 340.427 3.463 20 30 EGEDRM C=CCC[C@@H](NC(=O)N[C@@H](C)c1c(F)cccc1Cl)C(=O)[O-] ZINC000562647397 459611244 /nfs/dbraw/zinc/61/12/44/459611244.db2.gz DKPWDBCQYOWNFP-JOYOIKCWSA-N -1 0 328.771 3.259 20 30 EGEDRM C=CC[N@H+](Cc1ccc(Cl)s1)CC1(O)CCC(C(=O)[O-])CC1 ZINC000583999280 459632783 /nfs/dbraw/zinc/63/27/83/459632783.db2.gz CDXIFZYVWWQKDH-UHFFFAOYSA-N -1 0 343.876 3.395 20 30 EGEDRM C=CCc1cc(CN[C@@H](C)c2ncc(C(=O)[O-])s2)cc(OC)c1O ZINC000563146546 459723000 /nfs/dbraw/zinc/72/30/00/459723000.db2.gz NZFFIJOJGCLMDW-JTQLQIEISA-N -1 0 348.424 3.135 20 30 EGEDRM C=C(C)C[NH+]1CCC(N=c2nc(-c3ccccc3C)[n-]s2)CC1 ZINC000527881321 459765962 /nfs/dbraw/zinc/76/59/62/459765962.db2.gz PNIBRAYPOTWYNI-UHFFFAOYSA-N -1 0 328.485 3.388 20 30 EGEDRM Cn1cc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)c(C2CC2)n1 ZINC000575631221 459990048 /nfs/dbraw/zinc/99/00/48/459990048.db2.gz CQVMCNQSHKFLPG-LLVKDONJSA-N -1 0 334.301 3.201 20 30 EGEDRM CC(C)(C#N)Cc1nc(-c2cc(F)c([O-])c(Br)c2)no1 ZINC000598682570 459991682 /nfs/dbraw/zinc/99/16/82/459991682.db2.gz DTMMQFODJBSVNE-UHFFFAOYSA-N -1 0 340.152 3.436 20 30 EGEDRM CC(C)(C#N)C[C@H](O)CSc1n[n-]c(=NC2CCCCC2)s1 ZINC000598704548 460001321 /nfs/dbraw/zinc/00/13/21/460001321.db2.gz RMQDPWYTPVPXOZ-LBPRGKRZSA-N -1 0 340.518 3.097 20 30 EGEDRM C[C@H](c1ccccc1Cl)N(C(=O)N=c1[n-]n(C)cc1C#N)C1CC1 ZINC000610561398 460184242 /nfs/dbraw/zinc/18/42/42/460184242.db2.gz UYGANBBBDCBIIG-LLVKDONJSA-N -1 0 343.818 3.125 20 30 EGEDRM CCCOc1ccccc1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000619461322 460362163 /nfs/dbraw/zinc/36/21/63/460362163.db2.gz LCRPUQVZPNCGCO-UHFFFAOYSA-N -1 0 330.409 3.342 20 30 EGEDRM Cc1ccc2cccc([N-]S(=O)(=O)c3cccc(CC#N)c3)c2n1 ZINC000619462655 460363059 /nfs/dbraw/zinc/36/30/59/460363059.db2.gz XOUKUSJVZGTAAQ-UHFFFAOYSA-N -1 0 337.404 3.410 20 30 EGEDRM N#Cc1ccc(-n2[n-]c3c(c2=O)CSCC3)cc1C(F)(F)F ZINC000601936989 460950505 /nfs/dbraw/zinc/95/05/05/460950505.db2.gz ADDSUDLZUZQNSS-JTQLQIEISA-N -1 0 325.315 3.033 20 30 EGEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000601982980 460970641 /nfs/dbraw/zinc/97/06/41/460970641.db2.gz DSJPTWIIQKJLDD-KGLIPLIRSA-N -1 0 330.384 3.175 20 30 EGEDRM C[C@H](C#N)CSc1ccccc1NC(=O)[C@H]1CCC[C@H]1C(=O)[O-] ZINC000601987403 460972644 /nfs/dbraw/zinc/97/26/44/460972644.db2.gz WVCQCADFLNSSOT-FRRDWIJNSA-N -1 0 332.425 3.378 20 30 EGEDRM C[C@@H]1CN(C(=O)c2ccc(C#Cc3ccccc3)cc2)CC[C@@H]1C(=O)[O-] ZINC000659224668 461233790 /nfs/dbraw/zinc/23/37/90/461233790.db2.gz YGGHEXBEWQHCDS-UZLBHIALSA-N -1 0 347.414 3.269 20 30 EGEDRM C=C(C)[C@H](NC(=O)NC[C@H](C(=O)[O-])C(C)C)c1ccc(F)c(F)c1 ZINC000655874937 461516452 /nfs/dbraw/zinc/51/64/52/461516452.db2.gz BSQRCWSVELPEJN-WFASDCNBSA-N -1 0 340.370 3.238 20 30 EGEDRM C=C(C)[C@H](NC(=O)NCCCCC(=O)[O-])c1ccc(F)c(F)c1 ZINC000666543028 461683354 /nfs/dbraw/zinc/68/33/54/461683354.db2.gz WCDDYGQXWYZDET-HNNXBMFYSA-N -1 0 326.343 3.136 20 30 EGEDRM CC(C)(CC(=O)[O-])CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000190612746 547172709 /nfs/dbraw/zinc/17/27/09/547172709.db2.gz YGUZRWFXJCUYSG-UHFFFAOYSA-N -1 0 341.329 3.064 20 30 EGEDRM C=CCN(Cc1ccccc1F)C(=O)c1ccc(C(=O)[O-])cc1F ZINC000358609403 547745319 /nfs/dbraw/zinc/74/53/19/547745319.db2.gz OBTZBLXGGAQUOV-UHFFFAOYSA-N -1 0 331.318 3.491 20 30 EGEDRM C=CCOc1ccc(CNC(=O)C[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000671643095 548323779 /nfs/dbraw/zinc/32/37/79/548323779.db2.gz FFSJTLCSGQXYNV-GOSISDBHSA-N -1 0 339.391 3.126 20 30 EGEDRM CCCn1cc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)nn1 ZINC000678028789 549379710 /nfs/dbraw/zinc/37/97/10/549379710.db2.gz YDTSPZKSQDMEDE-CYBMUJFWSA-N -1 0 337.408 3.302 20 30 EGEDRM CC1(C)Cc2nc(NC(=O)c3cc([O-])cc(C#N)c3)sc2C(=O)C1 ZINC000681551028 550013550 /nfs/dbraw/zinc/01/35/50/550013550.db2.gz PXMPMDWNRWZAKQ-UHFFFAOYSA-N -1 0 341.392 3.128 20 30 EGEDRM C=C[C@H](CC(=O)N[C@]1(C(=O)[O-])CCc2ccccc21)c1ccccc1 ZINC000683309668 550216177 /nfs/dbraw/zinc/21/61/77/550216177.db2.gz IDRJTUCKXQCBRL-QVKFZJNVSA-N -1 0 335.403 3.389 20 30 EGEDRM N#CC(=C([O-])c1cccc(C#N)n1)c1nc2ccccc2n1C(F)F ZINC000685784231 550442275 /nfs/dbraw/zinc/44/22/75/550442275.db2.gz UIGOXKARZPSTIL-LLVKDONJSA-N -1 0 337.289 3.188 20 30 EGEDRM COc1ccc([C@@H](CC(=O)[O-])/N=C\c2cccc(OC)c2O)cc1 ZINC000737951638 574520932 /nfs/dbraw/zinc/52/09/32/574520932.db2.gz WXUGRJQUWVDMDU-MXDDHBLUSA-N -1 0 329.352 3.044 20 30 EGEDRM CC(N=Nc1ccc(Br)cn1)c1ccc(C(=O)[O-])cc1 ZINC000727263183 574657132 /nfs/dbraw/zinc/65/71/32/574657132.db2.gz QPKYAFSXZUKQMY-UHFFFAOYSA-N -1 0 334.173 3.378 20 30 EGEDRM O=C(/C=C\c1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccc([O-])c(F)c1 ZINC000728438236 574749242 /nfs/dbraw/zinc/74/92/42/574749242.db2.gz CHPBRIZCIRWPLM-IWQZZHSRSA-N -1 0 345.282 3.107 20 30 EGEDRM CCCC(CCC)C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000753551558 574955791 /nfs/dbraw/zinc/95/57/91/574955791.db2.gz ZCFWAVCTLLLUKB-UHFFFAOYSA-N -1 0 342.848 3.233 20 30 EGEDRM CCCCCN1c2ccccc2C(=N[N-]c2nccnc2Cl)C1=O ZINC000733078289 575305831 /nfs/dbraw/zinc/30/58/31/575305831.db2.gz ALKFJCOOLCWVSJ-UHFFFAOYSA-N -1 0 343.818 3.483 20 30 EGEDRM O=C([O-])COc1cccc(CN=Nc2ccc(C(F)(F)F)cn2)c1 ZINC000733201033 575319535 /nfs/dbraw/zinc/31/95/35/575319535.db2.gz OAHQAABBMMMESF-UHFFFAOYSA-N -1 0 339.273 3.010 20 30 EGEDRM COc1ccc(C(=O)/C=C/c2cccc(OCC(=O)[O-])c2)cc1F ZINC000733207322 575320671 /nfs/dbraw/zinc/32/06/71/575320671.db2.gz XKKKNMXAJFWADJ-FNORWQNLSA-N -1 0 330.311 3.194 20 30 EGEDRM O=[N+]([O-])c1cc(Cl)cc(C=NNc2cnnc3ccccc32)c1[O-] ZINC000733750254 575388262 /nfs/dbraw/zinc/38/82/62/575388262.db2.gz QZPRJDLXPKBHSG-UHFFFAOYSA-N -1 0 343.730 3.343 20 30 EGEDRM C#CCOc1cccc(NC(=O)N[C@@H](CC(=O)[O-])c2cccs2)c1 ZINC000736089550 575898214 /nfs/dbraw/zinc/89/82/14/575898214.db2.gz MQJHRJGEKGELGH-AWEZNQCLSA-N -1 0 344.392 3.098 20 30 EGEDRM C#CCOc1ccc(F)cc1NC(=O)c1cccc(NC(=O)[O-])c1 ZINC000736089243 575898224 /nfs/dbraw/zinc/89/82/24/575898224.db2.gz IRIFAYFVFOWHEK-UHFFFAOYSA-N -1 0 328.299 3.180 20 30 EGEDRM C#CCOc1ccccc1CNC(=O)Nc1cccc(C(=O)[O-])c1C ZINC000736088599 575898248 /nfs/dbraw/zinc/89/82/48/575898248.db2.gz WODWYMDYMUXYJG-UHFFFAOYSA-N -1 0 338.363 3.027 20 30 EGEDRM C=CC[C@H](NC(=O)Cn1cc(C(=O)[O-])c2ccccc21)c1ccncc1 ZINC000736097030 575899161 /nfs/dbraw/zinc/89/91/61/575899161.db2.gz VSMJZKAIWYOQBW-KRWDZBQOSA-N -1 0 349.390 3.168 20 30 EGEDRM C=CCc1ccc(OCC(=O)Nc2ccsc2C(=O)[O-])c(OC)c1 ZINC000736113819 575900266 /nfs/dbraw/zinc/90/02/66/575900266.db2.gz AXSQJGWPMDUQIK-UHFFFAOYSA-N -1 0 347.392 3.201 20 30 EGEDRM C/C(=C/C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000736121497 575902160 /nfs/dbraw/zinc/90/21/60/575902160.db2.gz SOAXYOXQEGNQIH-SIKDUDHDSA-N -1 0 339.322 3.470 20 30 EGEDRM C[C@H](C#N)Oc1ccc(CNc2ccc(CNC(=O)[O-])cc2)cc1 ZINC000736202845 575914828 /nfs/dbraw/zinc/91/48/28/575914828.db2.gz QWHXGHXUERPCDS-CYBMUJFWSA-N -1 0 325.368 3.357 20 30 EGEDRM CC(C)Oc1ccc(NC(=S)NN=Cc2ccc(C(=O)[O-])o2)cc1 ZINC000736495028 575974282 /nfs/dbraw/zinc/97/42/82/575974282.db2.gz SZDTXNDGUQBLQG-UHFFFAOYSA-N -1 0 347.396 3.086 20 30 EGEDRM CC(C)c1ccccc1NC(=S)NN=Cc1ccc(C(=O)[O-])o1 ZINC000736523525 575977466 /nfs/dbraw/zinc/97/74/66/575977466.db2.gz UMGHXKFQOMPWHJ-UHFFFAOYSA-N -1 0 331.397 3.422 20 30 EGEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)CCSCC(=O)[O-] ZINC000736545989 575982079 /nfs/dbraw/zinc/98/20/79/575982079.db2.gz VKVADOPXEKVSDK-LLVKDONJSA-N -1 0 338.454 3.227 20 30 EGEDRM C[C@H](CC(=O)[O-])SCCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000736552688 575983488 /nfs/dbraw/zinc/98/34/88/575983488.db2.gz PNTSBNIPSXSEDM-SECBINFHSA-N -1 0 338.454 3.033 20 30 EGEDRM C[C@H](Sc1ccccc1C#N)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000736711573 576011261 /nfs/dbraw/zinc/01/12/61/576011261.db2.gz CQEZOHWUOBAVRC-LBPRGKRZSA-N -1 0 340.404 3.053 20 30 EGEDRM CCOc1cc(C#N)ccc1OC(=O)c1cccc(NC(=O)[O-])c1 ZINC000737179763 576130893 /nfs/dbraw/zinc/13/08/93/576130893.db2.gz SMJLHYQQRMVXMS-UHFFFAOYSA-N -1 0 326.308 3.266 20 30 EGEDRM CCSc1ccc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cn1 ZINC000737229099 576139394 /nfs/dbraw/zinc/13/93/94/576139394.db2.gz JHOFRRRYHLOIFF-OAHLLOKOSA-N -1 0 342.376 3.048 20 30 EGEDRM CCc1[nH]c(C(=O)O[C@H](C)c2cccc(C#N)c2)c(C)c1C(=O)[O-] ZINC000737244733 576147701 /nfs/dbraw/zinc/14/77/01/576147701.db2.gz CUDAVLUQBYCNGO-LLVKDONJSA-N -1 0 326.352 3.373 20 30 EGEDRM CN(CCCC(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC000737418845 576224619 /nfs/dbraw/zinc/22/46/19/576224619.db2.gz TURHFEFKZFYJBU-HNNXBMFYSA-N -1 0 331.416 3.055 20 30 EGEDRM Cc1cc(C(=O)[O-])c(NC(=O)c2cc3ccccc3n2CC#N)s1 ZINC000738216902 576300997 /nfs/dbraw/zinc/30/09/97/576300997.db2.gz SLGLEUDWQWIVRB-UHFFFAOYSA-N -1 0 339.376 3.485 20 30 EGEDRM Cc1ccc(N(CCC#N)C(=O)CS[C@H](C)CC(=O)[O-])cc1C ZINC000738281146 576309810 /nfs/dbraw/zinc/30/98/10/576309810.db2.gz VSAQTKOHDMYZJL-CQSZACIVSA-N -1 0 334.441 3.147 20 30 EGEDRM Cc1cccc2[nH]c([C@H](C#N)C(=O)c3ccc(NC(=O)[O-])cc3)nc21 ZINC000738309955 576312910 /nfs/dbraw/zinc/31/29/10/576312910.db2.gz FXRHPBGJTGSSDZ-CYBMUJFWSA-N -1 0 334.335 3.451 20 30 EGEDRM N#C[C@@H](C(=O)c1cccc(C(=O)[O-])c1)c1nc(-c2ccncc2)cs1 ZINC000739073682 576376923 /nfs/dbraw/zinc/37/69/23/576376923.db2.gz FNDJVPVJTHFMGG-AWEZNQCLSA-N -1 0 349.371 3.393 20 30 EGEDRM N#Cc1cc(NC(=O)N[C@H](CC(=O)[O-])c2cccs2)ccc1F ZINC000739099211 576377871 /nfs/dbraw/zinc/37/78/71/576377871.db2.gz QJTXLFXRHRRQNP-GFCCVEGCSA-N -1 0 333.344 3.096 20 30 EGEDRM N#Cc1ccc([C@@H](OC(=O)CCCOc2ccccc2)C(=O)[O-])cc1 ZINC000739111372 576378457 /nfs/dbraw/zinc/37/84/57/576378457.db2.gz VCQCDXRFBZQMFY-GOSISDBHSA-N -1 0 339.347 3.086 20 30 EGEDRM N#Cc1ccc([C@@H](OC(=O)CCCc2cccs2)C(=O)[O-])cc1 ZINC000739112276 576378543 /nfs/dbraw/zinc/37/85/43/576378543.db2.gz YPUYIXPSJHECMY-MRXNPFEDSA-N -1 0 329.377 3.312 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)/C=C/c2ccccc2F)C(=O)[O-])cc1 ZINC000739112364 576378620 /nfs/dbraw/zinc/37/86/20/576378620.db2.gz ZDSXIBOIWOGEFK-FVNWOWOISA-N -1 0 325.295 3.080 20 30 EGEDRM N#Cc1ccccc1-c1ccccc1C(=O)NCc1ccc(C(=O)[O-])o1 ZINC000739139605 576379491 /nfs/dbraw/zinc/37/94/91/576379491.db2.gz IMMVINAEICDXGR-UHFFFAOYSA-N -1 0 346.342 3.446 20 30 EGEDRM N#Cc1cc(-c2ccccc2)sc1NC(=O)CSCC(=O)[O-] ZINC000740311690 576576486 /nfs/dbraw/zinc/57/64/86/576576486.db2.gz SZCIUMXLNPFVHV-UHFFFAOYSA-N -1 0 332.406 3.043 20 30 EGEDRM COc1cccc(O)c1/C=N\Cc1cccc(NC(=O)N(C)C)c1 ZINC000741463545 576688366 /nfs/dbraw/zinc/68/83/66/576688366.db2.gz GPLNSGCHNLVHQQ-UNOMPAQXSA-N -1 0 327.384 3.113 20 30 EGEDRM C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(F)c(C)c1 ZINC000741657414 576709153 /nfs/dbraw/zinc/70/91/53/576709153.db2.gz AIXXMEUBDGKPED-UHFFFAOYSA-N -1 0 337.347 3.086 20 30 EGEDRM COc1ccc2c(c1)OCC[C@@H]2/N=C\c1cc([N+](=O)[O-])ccc1[O-] ZINC000741755498 576717445 /nfs/dbraw/zinc/71/74/45/576717445.db2.gz DNLCZYXCCBBAGD-PACYTGELSA-N -1 0 328.324 3.252 20 30 EGEDRM COc1ccc(/C=C\C(=O)c2cccc(O[C@H](C)C(=O)[O-])c2)cc1 ZINC000745020066 576838639 /nfs/dbraw/zinc/83/86/39/576838639.db2.gz BBNYBJHSJVKRIX-BIRHUZIMSA-N -1 0 326.348 3.443 20 30 EGEDRM Cc1nn(C)c(Cl)c1/C=C/C(=O)c1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000745020644 576838697 /nfs/dbraw/zinc/83/86/97/576838697.db2.gz GEHXOEUJCQSFLR-AEZGRPFRSA-N -1 0 348.786 3.130 20 30 EGEDRM CC(C)[C@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)C(=O)[O-] ZINC000817728029 597027673 /nfs/dbraw/zinc/02/76/73/597027673.db2.gz XVKGHQGJRBXTNO-RISCZKNCSA-N -1 0 335.429 3.169 20 30 EGEDRM N#Cc1cc(Cl)c(C(=O)NC2CCC(C(=O)[O-])CC2)c(Cl)c1 ZINC000821330246 598150447 /nfs/dbraw/zinc/15/04/47/598150447.db2.gz XVIPRBJZXXLJGT-UHFFFAOYSA-N -1 0 341.194 3.238 20 30 EGEDRM O=C([O-])c1cccc(/C=C/C(=O)c2ccc(N3CCOC3=O)cc2)c1 ZINC000774125675 598201688 /nfs/dbraw/zinc/20/16/88/598201688.db2.gz AOZVHGLGDLIYGM-RUDMXATFSA-N -1 0 337.331 3.238 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1 ZINC000819873354 598221576 /nfs/dbraw/zinc/22/15/76/598221576.db2.gz APAAZFGQOOYCNF-IBGZPJMESA-N -1 0 334.331 3.135 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1nc2c(ccc3ccccc23)s1 ZINC000819864728 598221798 /nfs/dbraw/zinc/22/17/98/598221798.db2.gz CKUKMFDSTMJGHX-KRWDZBQOSA-N -1 0 339.376 3.393 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000819856971 598226749 /nfs/dbraw/zinc/22/67/49/598226749.db2.gz PXNQNGKPHLEPQS-LJQANCHMSA-N -1 0 349.346 3.294 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000819855242 598230025 /nfs/dbraw/zinc/23/00/25/598230025.db2.gz ACAPMVVPTNTDJL-AWEZNQCLSA-N -1 0 328.290 3.125 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000819849001 598230035 /nfs/dbraw/zinc/23/00/35/598230035.db2.gz WQHARRUUZKBOEL-GFCCVEGCSA-N -1 0 345.580 3.046 20 30 EGEDRM C[C@H](NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)C(=O)[O-] ZINC000737689023 600248866 /nfs/dbraw/zinc/24/88/66/600248866.db2.gz JHMWXTUOHSWMHM-JTQLQIEISA-N -1 0 344.754 3.207 20 30 EGEDRM C=CCn1c(SC/C=C(\C)C(=O)[O-])nnc1-c1ccc(F)cc1 ZINC000825711130 600726259 /nfs/dbraw/zinc/72/62/59/600726259.db2.gz PVFGKNNQRNVNOH-DHZHZOJOSA-N -1 0 333.388 3.393 20 30 EGEDRM N#Cc1ccc([C@H](NCc2coc(-c3ccccc3)n2)C(=O)[O-])cc1 ZINC000833072779 600754325 /nfs/dbraw/zinc/75/43/25/600754325.db2.gz QCQZWDPKHVPGRP-KRWDZBQOSA-N -1 0 333.347 3.129 20 30 EGEDRM N#Cc1cccc(C(=O)N2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])c1 ZINC000833073907 601091389 /nfs/dbraw/zinc/09/13/89/601091389.db2.gz KBPVFMCYXPVJQZ-SJORKVTESA-N -1 0 326.396 3.054 20 30 EGEDRM CCc1[nH]c(C(=O)O[C@H](C)c2ccc(C#N)cc2)c(C)c1C(=O)[O-] ZINC000830202086 601132936 /nfs/dbraw/zinc/13/29/36/601132936.db2.gz GQCVSKYXINDSDE-LLVKDONJSA-N -1 0 326.352 3.373 20 30 EGEDRM O=C([O-])c1ccc(C(=O)OCC#Cc2ccc(C(F)(F)F)cc2)cn1 ZINC000833350447 601174671 /nfs/dbraw/zinc/17/46/71/601174671.db2.gz WJQWTEBLPBFECV-UHFFFAOYSA-N -1 0 349.264 3.007 20 30 EGEDRM N#Cc1cccc(-c2nnc(COc3ccccc3NC(=O)[O-])o2)c1 ZINC000833073397 601229624 /nfs/dbraw/zinc/22/96/24/601229624.db2.gz AWDQXGGGBSXICO-UHFFFAOYSA-N -1 0 336.307 3.277 20 30 EGEDRM C=CCCCCCN(C)S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000825671393 601238064 /nfs/dbraw/zinc/23/80/64/601238064.db2.gz ONKXLAKZCAUADW-UHFFFAOYSA-N -1 0 347.383 3.030 20 30 EGEDRM CN(Cc1cnn(-c2ccccc2)c1)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830870030 601310233 /nfs/dbraw/zinc/31/02/33/601310233.db2.gz ZICRQTOJYSNNIC-LJQANCHMSA-N -1 0 346.390 3.002 20 30 EGEDRM CN(Cc1ccn(-c2ccccc2)n1)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830865170 601311816 /nfs/dbraw/zinc/31/18/16/601311816.db2.gz KLJPSRHKMMYCEX-IBGZPJMESA-N -1 0 346.390 3.002 20 30 EGEDRM Cc1ccccc1SCC(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832981472 601343550 /nfs/dbraw/zinc/34/35/50/601343550.db2.gz ICWMPVZNNVULDH-QGZVFWFLSA-N -1 0 341.388 3.328 20 30 EGEDRM Cc1ccc2[nH]c(C(=O)O[C@H](C(=O)[O-])c3cccc(C#N)c3)cc2c1 ZINC000832958785 601346154 /nfs/dbraw/zinc/34/61/54/601346154.db2.gz ISGYERWEJLEWOV-KRWDZBQOSA-N -1 0 334.331 3.331 20 30 EGEDRM N#Cc1cccc([C@@H](OC(=O)c2cccc3ncccc32)C(=O)[O-])c1 ZINC000833077671 601348059 /nfs/dbraw/zinc/34/80/59/601348059.db2.gz YRWLIUXCFGBNKS-QGZVFWFLSA-N -1 0 332.315 3.089 20 30 EGEDRM N#Cc1cccc([C@@H](OC(=O)c2cc(Cl)c(Cl)[nH]2)C(=O)[O-])c1 ZINC000833077740 601348203 /nfs/dbraw/zinc/34/82/03/601348203.db2.gz ZSYRJCKOEVHSLI-LLVKDONJSA-N -1 0 339.134 3.176 20 30 EGEDRM CC[C@@H](Cc1ccccc1)C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000828901175 601352738 /nfs/dbraw/zinc/35/27/38/601352738.db2.gz QIYYLVXMZYUEJP-WMZOPIPTSA-N -1 0 337.375 3.496 20 30 EGEDRM CC[C@@H](Nc1ccccc1)C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000828998427 601353694 /nfs/dbraw/zinc/35/36/94/601353694.db2.gz ABFJWFVPIOSCBH-SJORKVTESA-N -1 0 338.363 3.118 20 30 EGEDRM N#Cc1cccc([C@H](OC(=O)[C@H]2C[C@@H]2C2CCCCC2)C(=O)[O-])c1 ZINC000833075578 601355200 /nfs/dbraw/zinc/35/52/00/601355200.db2.gz MIOVUQPQLATBHI-IKGGRYGDSA-N -1 0 327.380 3.444 20 30 EGEDRM O=C([O-])c1ccc(/C=C2/Oc3cc(Br)ccc3C2=O)[nH]1 ZINC000833312200 601613238 /nfs/dbraw/zinc/61/32/38/601613238.db2.gz LTDQEGCBAUZTPX-WUXMJOGZSA-N -1 0 334.125 3.092 20 30 EGEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](CC(=O)[O-])C1CC1 ZINC000827219446 601624144 /nfs/dbraw/zinc/62/41/44/601624144.db2.gz ZCDUUFOJMJOLJN-RISCZKNCSA-N -1 0 347.440 3.456 20 30 EGEDRM Cc1sc(C(=O)[O-])cc1CON=CC(=O)Nc1ccc(F)cc1 ZINC000833030836 601631167 /nfs/dbraw/zinc/63/11/67/601631167.db2.gz CUNWTIYSMRCXON-UHFFFAOYSA-N -1 0 336.344 3.035 20 30 EGEDRM Cc1nc2sccn2c1C=NOCc1cc(C(=O)[O-])sc1C ZINC000833006494 601636592 /nfs/dbraw/zinc/63/65/92/601636592.db2.gz DWRMMSVJYQLYMY-UHFFFAOYSA-N -1 0 335.410 3.323 20 30 EGEDRM N#Cc1cc(F)c(C(=O)N(CCC(=O)[O-])c2cccc(F)c2)c(F)c1 ZINC000833069033 601681827 /nfs/dbraw/zinc/68/18/27/601681827.db2.gz RWVZSYDGWRIFBZ-UHFFFAOYSA-N -1 0 348.280 3.097 20 30 EGEDRM C=CCNc1nc(C(=O)OCc2cc(C(=O)[O-])sc2C)cs1 ZINC000825692573 601714698 /nfs/dbraw/zinc/71/46/98/601714698.db2.gz ZBIYCMBQBBQKCD-UHFFFAOYSA-N -1 0 338.410 3.166 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)c2cc(F)cc(Cl)c2)C(=O)[O-])cc1 ZINC000833072902 601746214 /nfs/dbraw/zinc/74/62/14/601746214.db2.gz SCSKIAQEGSUIFS-AWEZNQCLSA-N -1 0 333.702 3.333 20 30 EGEDRM C=CCN(CC=C)C(=O)[C@@H](C)SCc1ccc(C(=O)[O-])s1 ZINC000825681740 601847198 /nfs/dbraw/zinc/84/71/98/601847198.db2.gz GIWIDWJDBZPWQB-LLVKDONJSA-N -1 0 325.455 3.269 20 30 EGEDRM CN(Cc1ccccc1C#N)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830855567 601899263 /nfs/dbraw/zinc/89/92/63/601899263.db2.gz AWKAIAFGUXAHJV-INIZCTEOSA-N -1 0 334.297 3.233 20 30 EGEDRM C[C@@]1(C(=O)[O-])CCN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)C1 ZINC000828016747 602036177 /nfs/dbraw/zinc/03/61/77/602036177.db2.gz WMJQDCPTLMKKCI-HXUWFJFHSA-N -1 0 349.390 3.239 20 30 EGEDRM Cn1ccnc1CNc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000833057317 602100765 /nfs/dbraw/zinc/10/07/65/602100765.db2.gz AWNQMTBHCCQQGF-UHFFFAOYSA-N -1 0 331.375 3.130 20 30 EGEDRM N#Cc1cccc([C@@H](OC(=O)c2c[nH]c3ccc(F)cc32)C(=O)[O-])c1 ZINC000833077311 602104509 /nfs/dbraw/zinc/10/45/09/602104509.db2.gz OYXKJTARQIFSMH-MRXNPFEDSA-N -1 0 338.294 3.161 20 30 EGEDRM Cc1cc(NCc2nnc(-c3cccc(C#N)c3)o2)ccc1C(=O)[O-] ZINC000821041885 602128147 /nfs/dbraw/zinc/12/81/47/602128147.db2.gz VVXTZXYEQDLDRP-UHFFFAOYSA-N -1 0 334.335 3.227 20 30 EGEDRM Cc1ccc(NC(=O)N(CCC#N)Cc2ccccn2)cc1C(=O)[O-] ZINC000832944503 602281705 /nfs/dbraw/zinc/28/17/05/602281705.db2.gz FTYQYGSFSHUYDY-UHFFFAOYSA-N -1 0 338.367 3.036 20 30 EGEDRM Cc1ccc(C(=O)[O-])cc1NC(=O)COc1cc(Cl)ccc1C#N ZINC000832916862 602310961 /nfs/dbraw/zinc/31/09/61/602310961.db2.gz OIZJXRLKLRNIDE-UHFFFAOYSA-N -1 0 344.754 3.236 20 30 EGEDRM Cc1c(NC(=O)C(C)(C)Oc2ccc(C#N)cc2)cccc1C(=O)[O-] ZINC000832857712 604425012 /nfs/dbraw/zinc/42/50/12/604425012.db2.gz WPLWVDOOGGIQNK-UHFFFAOYSA-N -1 0 338.363 3.361 20 30 EGEDRM CCC(CC)n1ccc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)n1 ZINC000828870688 604434519 /nfs/dbraw/zinc/43/45/19/604434519.db2.gz UWSYUQXLRXBLFN-INIZCTEOSA-N -1 0 341.367 3.099 20 30 EGEDRM CC(C)Oc1ccc(NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cc1C#N ZINC000827054113 604555014 /nfs/dbraw/zinc/55/50/14/604555014.db2.gz AZQQPELJDCAUQI-STQMWFEESA-N -1 0 330.384 3.175 20 30 EGEDRM C=C(C)[C@@H](CC(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1)OCC ZINC000833367306 604563072 /nfs/dbraw/zinc/56/30/72/604563072.db2.gz KHFXYOILAJXNPS-SNVBAGLBSA-N -1 0 340.445 3.449 20 30 EGEDRM Cc1cc([C@@H](C)OC(=O)c2c(F)cc(C#N)cc2F)oc1C(=O)[O-] ZINC000832872601 604597908 /nfs/dbraw/zinc/59/79/08/604597908.db2.gz RPCAZHVTQJNFKQ-MRVPVSSYSA-N -1 0 335.262 3.354 20 30 EGEDRM C[C@H]1CN(Cc2cccc(C(=O)[O-])c2C#N)C[C@@H](c2ccccc2)O1 ZINC000833631061 604604645 /nfs/dbraw/zinc/60/46/45/604604645.db2.gz ZOJMEKQINKLINO-LIRRHRJNSA-N -1 0 336.391 3.218 20 30 EGEDRM C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC000825966481 604627167 /nfs/dbraw/zinc/62/71/67/604627167.db2.gz DYONBIXSYNANSU-CHWSQXEVSA-N -1 0 347.440 3.409 20 30 EGEDRM COCCOc1ccc(/C=C\C(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000831773596 604629538 /nfs/dbraw/zinc/62/95/38/604629538.db2.gz GIICOGDKEBNUON-WCIBSUBMSA-N -1 0 326.348 3.306 20 30 EGEDRM C=C[C@H](CC(=O)N(C)c1nc(CC(=O)[O-])cs1)c1ccccc1 ZINC000833371069 604747968 /nfs/dbraw/zinc/74/79/68/604747968.db2.gz LJSYIMYEFZJLBA-GFCCVEGCSA-N -1 0 330.409 3.093 20 30 EGEDRM C=CCCO[C@H](C)C(=O)Oc1cc(Br)cc(C(=O)[O-])c1 ZINC000833374268 604817988 /nfs/dbraw/zinc/81/79/88/604817988.db2.gz WUDGSVVQXKAZRA-SECBINFHSA-N -1 0 343.173 3.034 20 30 EGEDRM C#Cc1cccc(NC(=S)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c1 ZINC000833367656 604856387 /nfs/dbraw/zinc/85/63/87/604856387.db2.gz QDEDDDHSQRRZQE-CQSZACIVSA-N -1 0 330.453 3.188 20 30 EGEDRM C=CCC(CC=C)C(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000181914287 604871880 /nfs/dbraw/zinc/87/18/80/604871880.db2.gz HVQQGSGXIPLEID-AWEZNQCLSA-N -1 0 325.767 3.489 20 30 EGEDRM C[C@@H](C(=O)[O-])n1cccc1C=NNc1ccc(Br)cc1 ZINC000833405785 605038684 /nfs/dbraw/zinc/03/86/84/605038684.db2.gz INLMOEYHQLYMFD-JTQLQIEISA-N -1 0 336.189 3.342 20 30 EGEDRM C[C@@H](C(=O)[O-])n1cccc1C=NNCc1ccc(C(F)(F)F)cc1 ZINC000833408142 605040515 /nfs/dbraw/zinc/04/05/15/605040515.db2.gz WSYIIIHNYIQCCU-NSHDSACASA-N -1 0 339.317 3.276 20 30 EGEDRM C=CCOc1cccnc1C(=O)O[C@@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC000833378284 605077637 /nfs/dbraw/zinc/07/76/37/605077637.db2.gz CQPVHJQZGCMPCI-NSHDSACASA-N -1 0 331.324 3.164 20 30 EGEDRM CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC000833496311 605172096 /nfs/dbraw/zinc/17/20/96/605172096.db2.gz FTDQAGXFDOJSAP-UHFFFAOYSA-N -1 0 338.367 3.094 20 30 EGEDRM C=CCOc1ccccc1CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000833378258 605183403 /nfs/dbraw/zinc/18/34/03/605183403.db2.gz BZPABSXLQXBRPD-UHFFFAOYSA-N -1 0 328.324 3.470 20 30 EGEDRM CC(C)(C(=O)[O-])c1ccc(NCc2cnc3ccc(C#N)cn23)cc1 ZINC000833419801 605545418 /nfs/dbraw/zinc/54/54/18/605545418.db2.gz WRZQBQHVLNEIJD-UHFFFAOYSA-N -1 0 334.379 3.180 20 30 EGEDRM O=C(/C=C/c1cccs1)c1ccc([O-])c(CN2CCOCC2)c1 ZINC000040408735 1291409176 /nfs/dbraw/zinc/40/91/76/1291409176.db2.gz BRVYLUXSRHRDNA-GQCTYLIASA-N -1 0 329.421 3.182 20 30 EGEDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)c1cn(C)c2ccccc12 ZINC000042242418 1291437142 /nfs/dbraw/zinc/43/71/42/1291437142.db2.gz NOZDOTDACAKKFB-UHFFFAOYSA-N -1 0 328.393 3.180 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2cc(Cl)ccc2F)cc1 ZINC000042235209 1291437511 /nfs/dbraw/zinc/43/75/11/1291437511.db2.gz LSUHFMVPYYLBKI-UHFFFAOYSA-N -1 0 327.764 3.481 20 30 EGEDRM COc1ccc(CCC(=O)[N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000042249383 1291438072 /nfs/dbraw/zinc/43/80/72/1291438072.db2.gz BTQQOIBUDXSWRP-UHFFFAOYSA-N -1 0 337.372 3.112 20 30 EGEDRM Cc1ccc(C(=O)CCC(=O)[N-]S(=O)(=O)c2ccccc2)s1 ZINC000048405050 1291603047 /nfs/dbraw/zinc/60/30/47/1291603047.db2.gz HKVWWCGBPQYRCS-UHFFFAOYSA-N -1 0 337.422 3.365 20 30 EGEDRM CC(C)S(=O)(=O)[N-]C(=O)COc1ccc(Cl)c(Cl)c1 ZINC000049417629 1291628213 /nfs/dbraw/zinc/62/82/13/1291628213.db2.gz BCWVNMNABMSVFK-UHFFFAOYSA-N -1 0 326.201 3.067 20 30 EGEDRM Cc1cc(C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)c(C)n1C(C)C ZINC000048598712 1291612266 /nfs/dbraw/zinc/61/22/66/1291612266.db2.gz WWTNWNCRQRVEGH-UHFFFAOYSA-N -1 0 345.424 3.251 20 30 EGEDRM O=C(CCc1ccccc1F)[N-]S(=O)(=O)c1ccccc1F ZINC000048588011 1291612606 /nfs/dbraw/zinc/61/26/06/1291612606.db2.gz ZJEKBYHSFICTEQ-UHFFFAOYSA-N -1 0 325.336 3.243 20 30 EGEDRM O=C([N-]S(=O)(=O)C1=Cc2ccccc2CC1)c1cccc(F)c1 ZINC000058035619 1291875554 /nfs/dbraw/zinc/87/55/54/1291875554.db2.gz IJGGJUGDQNLIKB-UHFFFAOYSA-N -1 0 331.368 3.447 20 30 EGEDRM CC(=CC(=O)[N-]S(=O)(=O)c1c(C)noc1C)c1ccc(F)cc1 ZINC000065643552 1292084150 /nfs/dbraw/zinc/08/41/50/1292084150.db2.gz WTROBQQHVZXZMQ-HJWRWDBZSA-N -1 0 338.360 3.179 20 30 EGEDRM Cc1c2cccc(C)c2oc1C(=O)[N-]S(=O)(=O)c1cccnc1 ZINC000066002927 1292103586 /nfs/dbraw/zinc/10/35/86/1292103586.db2.gz AGDVAEWAJPDFGA-UHFFFAOYSA-N -1 0 330.365 3.138 20 30 EGEDRM CSC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000067001200 1292138791 /nfs/dbraw/zinc/13/87/91/1292138791.db2.gz DZQOSTONZUNXMS-QMMMGPOBSA-N -1 0 341.376 3.350 20 30 EGEDRM O=C(COCC1CC1)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000069641952 1292246298 /nfs/dbraw/zinc/24/62/98/1292246298.db2.gz PIIATJFYGJIUBT-UHFFFAOYSA-N -1 0 344.241 3.127 20 30 EGEDRM CCCCS(=O)(=O)[N-]C(=O)[C@@H](C)Oc1ccc(F)cc1Cl ZINC000073087189 1292305360 /nfs/dbraw/zinc/30/53/60/1292305360.db2.gz RNLOREAGMCQSOX-SECBINFHSA-N -1 0 337.800 3.333 20 30 EGEDRM O=C([N-]S(=O)(=O)c1ccccc1F)C1(c2ccccc2F)CC1 ZINC000077865243 1292488331 /nfs/dbraw/zinc/48/83/31/1292488331.db2.gz WDRKDSKTZHCCMD-UHFFFAOYSA-N -1 0 337.347 3.342 20 30 EGEDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)c1ccc(C(F)(F)F)nc1 ZINC000077942283 1292490871 /nfs/dbraw/zinc/49/08/71/1292490871.db2.gz QOOGLVZORPWOML-UHFFFAOYSA-N -1 0 344.314 3.102 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@@H]2C[C@H]2CC(C)(C)C)n1 ZINC000830258671 1292695107 /nfs/dbraw/zinc/69/51/07/1292695107.db2.gz GHLMNOHQNMRZCZ-XQQFMLRXSA-N -1 0 334.441 3.243 20 30 EGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)c1cc2n(n1)CCCC2 ZINC000835041799 1293193208 /nfs/dbraw/zinc/19/32/08/1293193208.db2.gz ZYOWPPPJWUAUAT-HNNXBMFYSA-N -1 0 346.390 3.215 20 30 EGEDRM CCCN(C)c1ccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)cc1 ZINC000118912368 1293247895 /nfs/dbraw/zinc/24/78/95/1293247895.db2.gz CVMCUEXUQWTVCQ-GOSISDBHSA-N -1 0 341.455 3.304 20 30 EGEDRM C[C@H]1CCc2sc(C([O-])=C(C#N)C(=O)NC3CCCC3)cc2C1 ZINC000119746538 1293287010 /nfs/dbraw/zinc/28/70/10/1293287010.db2.gz DNHDGFSDYUZCAT-FZMZJTMJSA-N -1 0 330.453 3.254 20 30 EGEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)CCc1ccc2ccccc2c1 ZINC000122662165 1293421020 /nfs/dbraw/zinc/42/10/20/1293421020.db2.gz FYVSWVBPZGLZTE-KRWDZBQOSA-N -1 0 331.375 3.098 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2cccc(OC3CCCC3)c2)C(=O)O1 ZINC000125784841 1293516573 /nfs/dbraw/zinc/51/65/73/1293516573.db2.gz NTYFKUQCRWGTGF-YXBWYFRISA-N -1 0 340.375 3.236 20 30 EGEDRM CSc1ccc(C)c(C([O-])=C(C#N)C(=O)NCc2ccccc2)c1 ZINC000126806832 1293544211 /nfs/dbraw/zinc/54/42/11/1293544211.db2.gz RZTPHPCDNPPBBL-QGZVFWFLSA-N -1 0 338.432 3.356 20 30 EGEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1ccc2ccccc2c1 ZINC000126819037 1293545307 /nfs/dbraw/zinc/54/53/07/1293545307.db2.gz TXYQSZBLMURLFM-LJQANCHMSA-N -1 0 328.371 3.479 20 30 EGEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1ccc(Cl)cc1[N+](=O)[O-] ZINC000127228614 1293556488 /nfs/dbraw/zinc/55/64/88/1293556488.db2.gz FDEAVKCWMMBGKT-ZDUSSCGKSA-N -1 0 349.774 3.020 20 30 EGEDRM C=CCOc1ccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)cc1 ZINC000127418753 1293563890 /nfs/dbraw/zinc/56/38/90/1293563890.db2.gz RUCQEPSIVRKIMS-KRWDZBQOSA-N -1 0 326.396 3.023 20 30 EGEDRM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C#N)cc2)c1 ZINC000130395849 1293655602 /nfs/dbraw/zinc/65/56/02/1293655602.db2.gz UCWCYYOVLLGBMN-UHFFFAOYSA-N -1 0 334.784 3.215 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2ccccc2OC2CCCC2)C(=O)O1 ZINC000130666424 1293664698 /nfs/dbraw/zinc/66/46/98/1293664698.db2.gz DEBOLEJPTUIXBY-VYENPZKTSA-N -1 0 340.375 3.236 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)C(=O)NC(C)C)c(C)n1Cc1ccccc1 ZINC000130703466 1293665716 /nfs/dbraw/zinc/66/57/16/1293665716.db2.gz AXXSDVREKOMOCF-GOSISDBHSA-N -1 0 337.423 3.000 20 30 EGEDRM CC1(C)CCC(CC(=O)[N-]S(=O)(=O)Cc2cccc(C#N)c2)CC1 ZINC000153617857 1294022320 /nfs/dbraw/zinc/02/23/20/1294022320.db2.gz SCTIHQKSJGYDTH-UHFFFAOYSA-N -1 0 348.468 3.111 20 30 EGEDRM O=C(/C=C/c1ccc(N2CCOCC2)cc1)c1ccc([O-])c(F)c1 ZINC000170852031 1294383655 /nfs/dbraw/zinc/38/36/55/1294383655.db2.gz LUALQFJPTPCXTN-XVNBXDOJSA-N -1 0 327.355 3.264 20 30 EGEDRM C=CCOc1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc1Cl ZINC000171157434 1294396624 /nfs/dbraw/zinc/39/66/24/1294396624.db2.gz OPKNCUNADZSJNP-UKINESCASA-N -1 0 346.766 3.133 20 30 EGEDRM N#CCOc1ccc(C/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC000171389480 1294404776 /nfs/dbraw/zinc/40/47/76/1294404776.db2.gz SUTAGUFRPVSKHS-VXLYETTFSA-N -1 0 345.742 3.475 20 30 EGEDRM Cc1nc(-c2cccc(C([O-])=C(C#N)C(=O)N3CCCC3)c2)cs1 ZINC000173937051 1294473827 /nfs/dbraw/zinc/47/38/27/1294473827.db2.gz NEALUXLDNMUJRU-HNNXBMFYSA-N -1 0 339.420 3.063 20 30 EGEDRM CC(C)(C(=O)[N-]OCc1cn2ccccc2c1C#N)c1ccccc1 ZINC000177587147 1294679152 /nfs/dbraw/zinc/67/91/52/1294679152.db2.gz NSGYIORAKKEOPO-UHFFFAOYSA-N -1 0 333.391 3.337 20 30 EGEDRM C[C@H](Oc1cccc(/C=C/C(=O)c2ccc(Cl)nc2)c1)C(=O)[O-] ZINC000179413304 1294792687 /nfs/dbraw/zinc/79/26/87/1294792687.db2.gz YRUYOJSGYNBZOK-ZRQQLDRUSA-N -1 0 331.755 3.483 20 30 EGEDRM C=CCCC[C@H](C)NC(=O)c1ccc2c(c1)[n-]c(=S)n(CC)c2=O ZINC000179796384 1294828026 /nfs/dbraw/zinc/82/80/26/1294828026.db2.gz DIFCKFINMOJYMH-LBPRGKRZSA-N -1 0 345.468 3.180 20 30 EGEDRM CC#CCCCCOC(=O)c1ccc2c(c1)[n-]c(=S)n(CC)c2=O ZINC000183958749 1295161044 /nfs/dbraw/zinc/16/10/44/1295161044.db2.gz QQVNOSINCCILLZ-UHFFFAOYSA-N -1 0 344.436 3.056 20 30 EGEDRM C=CCC1(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCCC3)CCC1 ZINC000192189451 1295742592 /nfs/dbraw/zinc/74/25/92/1295742592.db2.gz KBCABXZYRMUPSK-UHFFFAOYSA-N -1 0 333.453 3.117 20 30 EGEDRM [O-]c1c(Cl)cc(Cl)cc1/C=N/Cc1nnc2n1CCCC2 ZINC000193336553 1295854992 /nfs/dbraw/zinc/85/49/92/1295854992.db2.gz AGJZANSJDSMNIA-REZTVBANSA-N -1 0 325.199 3.246 20 30 EGEDRM Cc1ccc(-c2cc(C([O-])=C(C#N)C(=O)Nc3cccc(C)c3)n[nH]2)o1 ZINC000193440608 1295869066 /nfs/dbraw/zinc/86/90/66/1295869066.db2.gz OXRCURLWHLXRSU-CQSZACIVSA-N -1 0 348.362 3.248 20 30 EGEDRM O=C(C/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-])OCc1ccccc1 ZINC000255734069 1296564851 /nfs/dbraw/zinc/56/48/51/1296564851.db2.gz VAUYIWPNFWQPIB-LSCVHKIXSA-N -1 0 348.742 3.116 20 30 EGEDRM C=CCC[C@@H](NC(=O)c1ccc(SC(F)(F)F)cc1)C(=O)[O-] ZINC000262814852 1296649074 /nfs/dbraw/zinc/64/90/74/1296649074.db2.gz DQIHSTRKINFUAI-LLVKDONJSA-N -1 0 333.331 3.448 20 30 EGEDRM C=CCC[C@@H](NC(=O)[C@H](C)c1ccc(Br)s1)C(=O)[O-] ZINC000263018208 1296657051 /nfs/dbraw/zinc/65/70/51/1296657051.db2.gz XWBRHDFXVMUULZ-RKDXNWHRSA-N -1 0 346.246 3.150 20 30 EGEDRM C=CCC1(CNC(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)CCCC1 ZINC000263336842 1296675782 /nfs/dbraw/zinc/67/57/82/1296675782.db2.gz DPROLSHZDGZOBA-VXGBXAGGSA-N -1 0 348.365 3.027 20 30 EGEDRM C=CCN(CC(=O)[O-])Cc1coc(-c2ccccc2C(F)(F)F)n1 ZINC000872159377 1296779100 /nfs/dbraw/zinc/77/91/00/1296779100.db2.gz FPZGYHQHUMVAMG-UHFFFAOYSA-N -1 0 340.301 3.433 20 30 EGEDRM CCOc1ccc(SCC(=O)Nc2cc(C#N)ccc2[O-])cc1 ZINC000748410639 1299004568 /nfs/dbraw/zinc/00/45/68/1299004568.db2.gz BKJLAMLFEUFBDL-UHFFFAOYSA-N -1 0 328.393 3.393 20 30 EGEDRM Cc1cccc2ncc(/C=C/C(=O)c3cccc(OCC(=O)[O-])c3)n21 ZINC000749000208 1299124112 /nfs/dbraw/zinc/12/41/12/1299124112.db2.gz VPQDPXQXMZBLKV-CMDGGOBGSA-N -1 0 336.347 3.002 20 30 EGEDRM CC(C)CCCCCC(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1 ZINC000749031675 1299128587 /nfs/dbraw/zinc/12/85/87/1299128587.db2.gz OKDXQACHOXJGAH-UHFFFAOYSA-N -1 0 336.457 3.111 20 30 EGEDRM C=CCNC(=O)C(C#N)=C([O-])c1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC000750683249 1299440274 /nfs/dbraw/zinc/44/02/74/1299440274.db2.gz APRIYZPYVXIWNQ-LJQANCHMSA-N -1 0 349.434 3.336 20 30 EGEDRM COc1cc(/C=C2\Cc3c(cc(F)cc3F)C2=O)cc([N+](=O)[O-])c1[O-] ZINC000751535805 1299565237 /nfs/dbraw/zinc/56/52/37/1299565237.db2.gz MXEMINUTXVYDNZ-XNWCZRBMSA-N -1 0 347.273 3.410 20 30 EGEDRM CCOC(=O)C(F)(F)[C@H]1CCC(N=Nc2ccc(C(=O)[O-])cc2)C1 ZINC000752712985 1299781203 /nfs/dbraw/zinc/78/12/03/1299781203.db2.gz HOQLDXAVODKJSB-NSHDSACASA-N -1 0 340.326 3.151 20 30 EGEDRM O=C([O-])COc1ccc(/C=C\C(=O)c2cc([N+](=O)[O-])ccc2F)cc1 ZINC000752879150 1299810997 /nfs/dbraw/zinc/81/09/97/1299810997.db2.gz FQLYPGOHAVASCT-BAQGIRSFSA-N -1 0 345.282 3.093 20 30 EGEDRM [O-]c1c(Cl)cccc1C=NN1C(=S)N=NC1[C@H]1CCCCO1 ZINC000753167348 1299887157 /nfs/dbraw/zinc/88/71/57/1299887157.db2.gz ZIZIEPYQQCJXJO-LLVKDONJSA-N -1 0 338.820 3.050 20 30 EGEDRM O=C([O-])c1csc(C=NN2C(=S)N=NC2c2ccccc2F)c1 ZINC000755547463 1300355876 /nfs/dbraw/zinc/35/58/76/1300355876.db2.gz YEKZJHBLUBQSMH-UHFFFAOYSA-N -1 0 348.384 3.015 20 30 EGEDRM CC[C@H](C)c1ccc(C([O-])=C(C#N)C(=O)NCCCOC(C)C)cc1 ZINC000756222511 1300454397 /nfs/dbraw/zinc/45/43/97/1300454397.db2.gz BLIPLLKXEQZTJJ-MAUKXSAKSA-N -1 0 344.455 3.454 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@@H]2CCCC(C)(C)C2)n1 ZINC000756271729 1300461346 /nfs/dbraw/zinc/46/13/46/1300461346.db2.gz XGCNJPFYUXVNLM-OLZOCXBDSA-N -1 0 334.441 3.387 20 30 EGEDRM N#C[C@H]([N-]C(=O)C(F)(F)c1nccs1)c1ccc(Cl)cc1 ZINC000756747267 1300560067 /nfs/dbraw/zinc/56/00/67/1300560067.db2.gz LVZAZYKYGBWHNL-JTQLQIEISA-N -1 0 327.743 3.269 20 30 EGEDRM COc1ccc2c(c1)CC(N=Nc1ccc(C(=O)[O-])cc1OC)CC2 ZINC000756899117 1300586334 /nfs/dbraw/zinc/58/63/34/1300586334.db2.gz QSOFNWYBUQJAJD-UHFFFAOYSA-N -1 0 340.379 3.359 20 30 EGEDRM O=C(/C=C\c1nccn1CC(F)(F)F)c1cc(F)cc(F)c1[O-] ZINC000757471763 1300673193 /nfs/dbraw/zinc/67/31/93/1300673193.db2.gz DQRCLWXXGIIABV-UPHRSURJSA-N -1 0 332.228 3.325 20 30 EGEDRM COc1cc2c(cc1/C=C\C(=O)c1ccc(O)cc1[O-])O[C@@H](C)C2 ZINC000757472577 1300675136 /nfs/dbraw/zinc/67/51/36/1300675136.db2.gz OWUJPCJHXBAIHS-UUSYTGMJSA-N -1 0 326.348 3.326 20 30 EGEDRM CCCCCC(=O)C(C#N)=C([O-])c1c(C)[nH]c(C)c1C(=O)OCC ZINC000759235426 1301046209 /nfs/dbraw/zinc/04/62/09/1301046209.db2.gz DCHDDYHFIKPRBK-CYBMUJFWSA-N -1 0 332.400 3.280 20 30 EGEDRM COc1cccc2c1C/C(=C/c1cc(OC)c([O-])c([N+](=O)[O-])c1)C2=O ZINC000759667378 1301138066 /nfs/dbraw/zinc/13/80/66/1301138066.db2.gz XKJYBIRETLAKFR-WDZFZDKYSA-N -1 0 341.319 3.140 20 30 EGEDRM CCC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)Nc1cc(C#N)ccc1[O-] ZINC000759713603 1301147998 /nfs/dbraw/zinc/14/79/98/1301147998.db2.gz NXGNCJULAQBOOI-GOSISDBHSA-N -1 0 347.415 3.286 20 30 EGEDRM Cc1ccc(-c2cccc(/C=C\C(=O)c3cnc([O-])n(C)c3=O)c2)cc1 ZINC000761806369 1301543680 /nfs/dbraw/zinc/54/36/80/1301543680.db2.gz ZUJZXFNYNZNFFO-FLIBITNWSA-N -1 0 346.386 3.357 20 30 EGEDRM Cc1nc2ccc(C([O-])=C(C#N)C(=O)NCc3ccccc3)cc2s1 ZINC000763934261 1301984456 /nfs/dbraw/zinc/98/44/56/1301984456.db2.gz YJEOAMMGVJPWCZ-HNNXBMFYSA-N -1 0 349.415 3.244 20 30 EGEDRM CC(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccc(C(=O)[O-])c1 ZINC000764641217 1302107179 /nfs/dbraw/zinc/10/71/79/1302107179.db2.gz POZOCXKREFQUKX-UHFFFAOYSA-N -1 0 344.283 3.037 20 30 EGEDRM CC[C@H](C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1)C1CCC(C)CC1 ZINC000764760313 1302129198 /nfs/dbraw/zinc/12/91/98/1302129198.db2.gz VTFLHSPHOPZVOC-PGEKIEPBSA-N -1 0 348.468 3.216 20 30 EGEDRM [O-]c1c(Cl)cc(Cl)cc1C=NNCCOCC(F)(F)F ZINC000765594287 1302287196 /nfs/dbraw/zinc/28/71/96/1302287196.db2.gz UTHXABXFFDPFKO-UHFFFAOYSA-N -1 0 331.121 3.201 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1N=NC(C)c1ccc(C(C)(C)O)cc1 ZINC000767387626 1302658496 /nfs/dbraw/zinc/65/84/96/1302658496.db2.gz KSHYYFZCFJLTAP-UHFFFAOYSA-N -1 0 342.395 3.457 20 30 EGEDRM O=c1c2ccccc2[n-]c(=S)n1N=Cc1ccc(F)cc1Cl ZINC000767763092 1302758862 /nfs/dbraw/zinc/75/88/62/1302758862.db2.gz RHRHDGHADIKRPK-UHFFFAOYSA-N -1 0 333.775 3.360 20 30 EGEDRM COc1ccc(N=NC(C)c2ccc(CC(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000767801655 1302765755 /nfs/dbraw/zinc/76/57/55/1302765755.db2.gz QPQZIEDQHAOAPX-UHFFFAOYSA-N -1 0 343.339 3.067 20 30 EGEDRM Cn1cc(C=NNc2ccccc2C(=O)[O-])c(-c2cccs2)n1 ZINC000769570700 1303142294 /nfs/dbraw/zinc/14/22/94/1303142294.db2.gz VLNMKBAVIJYZIZ-UHFFFAOYSA-N -1 0 326.381 3.293 20 30 EGEDRM O=C(/C=C\c1ccn(-c2ccccc2)n1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000773160184 1303635001 /nfs/dbraw/zinc/63/50/01/1303635001.db2.gz LODRCQLOLRHPJB-VURMDHGXSA-N -1 0 335.319 3.382 20 30 EGEDRM O=C([O-])CCOc1ccc(/C=C2/Oc3cc(F)ccc3C2=O)cc1 ZINC000773171541 1303637318 /nfs/dbraw/zinc/63/73/18/1303637318.db2.gz JNKVKCKROXSPGS-CXUHLZMHSA-N -1 0 328.295 3.295 20 30 EGEDRM Cc1c(C(=O)/C=C\c2cccc(C(=O)[O-])c2)nnn1-c1ccc(C)cc1 ZINC000774127073 1303776509 /nfs/dbraw/zinc/77/65/09/1303776509.db2.gz PVWVOHQKIPWPSA-FLIBITNWSA-N -1 0 347.374 3.478 20 30 EGEDRM Cc1c(C(=O)/C=C/c2cccc(C(=O)[O-])c2)nnn1-c1ccc(C)cc1 ZINC000774127072 1303776704 /nfs/dbraw/zinc/77/67/04/1303776704.db2.gz PVWVOHQKIPWPSA-DHZHZOJOSA-N -1 0 347.374 3.478 20 30 EGEDRM CCC[C@@H](C(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1)c1ccccc1 ZINC000779314127 1304555187 /nfs/dbraw/zinc/55/51/87/1304555187.db2.gz AFHPPRXSQWFHET-MRXNPFEDSA-N -1 0 348.468 3.100 20 30 EGEDRM CCCCC[C@H](C)CC(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC000779322041 1304556257 /nfs/dbraw/zinc/55/62/57/1304556257.db2.gz ZBYRMDQKIMNLQC-AWEZNQCLSA-N -1 0 328.478 3.123 20 30 EGEDRM O=C([O-])CCOc1cccc(/C=C\C(=O)c2ccnc(Cl)c2)c1 ZINC000779461310 1304575180 /nfs/dbraw/zinc/57/51/80/1304575180.db2.gz YGTUSFNCSKPAII-PLNGDYQASA-N -1 0 331.755 3.485 20 30 EGEDRM COc1cc(/C=C/C(=O)c2ccnc(Cl)c2)cc([N+](=O)[O-])c1[O-] ZINC000779460145 1304575397 /nfs/dbraw/zinc/57/53/97/1304575397.db2.gz KNRNFRYMSFNYEO-NSCUHMNNSA-N -1 0 334.715 3.254 20 30 EGEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)c1cccc(C(F)F)c1 ZINC000780402100 1304685683 /nfs/dbraw/zinc/68/56/83/1304685683.db2.gz BYLOZESDBQISLW-UHFFFAOYSA-N -1 0 338.335 3.305 20 30 EGEDRM COC(=O)COc1ccc(/C=C\C(=O)c2ccc(O)c(C)c2)cc1 ZINC000782192447 1304928481 /nfs/dbraw/zinc/92/84/81/1304928481.db2.gz WVIULEAAXOWTTJ-UITAMQMPSA-N -1 0 326.348 3.149 20 30 EGEDRM COc1cc(/C=C/C(=O)c2ccc(O)cc2)ccc1OCCC(=O)[O-] ZINC000784957589 1305297424 /nfs/dbraw/zinc/29/74/24/1305297424.db2.gz GLXPNQUYZGOCRJ-KRXBUXKQSA-N -1 0 342.347 3.150 20 30 EGEDRM C=CCC(CC=C)C(=O)[N-]S(=O)(=O)c1c(C)ccc2cccnc21 ZINC000785053660 1305308408 /nfs/dbraw/zinc/30/84/08/1305308408.db2.gz YKDUKRWMUUQIQO-UHFFFAOYSA-N -1 0 344.436 3.117 20 30 EGEDRM CCCCOC(=O)c1ccc(NC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000785437894 1305351581 /nfs/dbraw/zinc/35/15/81/1305351581.db2.gz BKRGHBBLBCKBPH-UHFFFAOYSA-N -1 0 338.363 3.473 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1nc(Cl)sc1C ZINC000892465626 1305387719 /nfs/dbraw/zinc/38/77/19/1305387719.db2.gz TYOFYNGRLKTFNY-SNVBAGLBSA-N -1 0 327.837 3.124 20 30 EGEDRM C=C1CCC(C(=O)[N-]S(=O)(=O)Cc2ccccc2Cl)CC1 ZINC000892830523 1305569797 /nfs/dbraw/zinc/56/97/97/1305569797.db2.gz KFKGRKQUKYMQNC-UHFFFAOYSA-N -1 0 327.833 3.032 20 30 EGEDRM N#CC(C(=O)NCc1cccc(Cl)c1)=C([O-])c1cccc(Cl)n1 ZINC000786535937 1305593081 /nfs/dbraw/zinc/59/30/81/1305593081.db2.gz WDJYLMZNSYSFJO-GFCCVEGCSA-N -1 0 348.189 3.027 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)c(C)o1 ZINC000786538312 1305593164 /nfs/dbraw/zinc/59/31/64/1305593164.db2.gz MYFFXSCVMBXAKO-HNNXBMFYSA-N -1 0 330.771 3.189 20 30 EGEDRM C[C@@H](/N=C\c1cc(Cl)cc(Cl)c1[O-])c1nnnn1C1CC1 ZINC000790100838 1306261793 /nfs/dbraw/zinc/26/17/93/1306261793.db2.gz ZJAYDIXNNQYYPT-QUFNQRNNSA-N -1 0 326.187 3.201 20 30 EGEDRM Cc1cc(C)c(C(=O)[O-])cc1/C=C/C(=O)c1ccccc1-n1ccnn1 ZINC000794740864 1309587920 /nfs/dbraw/zinc/58/79/20/1309587920.db2.gz VLNMANLTCRCKPR-BQYQJAHWSA-N -1 0 347.374 3.478 20 30 EGEDRM CCCCCCC[C@@H](CC(=O)[O-])NS(=O)(=O)c1ccsc1 ZINC000794763630 1309590355 /nfs/dbraw/zinc/59/03/55/1309590355.db2.gz HUBJXQNYVGYUGE-LBPRGKRZSA-N -1 0 333.475 3.230 20 30 EGEDRM COc1ccc(CCCC(=O)Nc2cc(C#N)ccc2[O-])cc1OC ZINC000896820441 1310033786 /nfs/dbraw/zinc/03/37/86/1310033786.db2.gz GDGKCWHJWRMHAT-UHFFFAOYSA-N -1 0 340.379 3.242 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc2oc(C)nc2c1 ZINC000796632623 1310050583 /nfs/dbraw/zinc/05/05/83/1310050583.db2.gz SKTNUXXHQJMTPN-AWEZNQCLSA-N -1 0 327.384 3.155 20 30 EGEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccn(CC(F)F)n2)s1 ZINC000797570667 1310212859 /nfs/dbraw/zinc/21/28/59/1310212859.db2.gz JKKBSQVCVSQXBE-SECBINFHSA-N -1 0 338.383 3.392 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2cnc(Cl)cc2C#N)cc1Cl ZINC000798211720 1310317944 /nfs/dbraw/zinc/31/79/44/1310317944.db2.gz JKDRKKDOZDHDNM-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM O=C(/C=C\c1ccc([O-])c([N+](=O)[O-])c1)c1ccnn1-c1ccccc1 ZINC000798372771 1310348754 /nfs/dbraw/zinc/34/87/54/1310348754.db2.gz PTZXERCOXYJZQB-VURMDHGXSA-N -1 0 335.319 3.382 20 30 EGEDRM C=CCC1(C(=O)[N-]S(=O)(=O)Cc2cccc(Cl)c2)CCC1 ZINC000799649232 1310595573 /nfs/dbraw/zinc/59/55/73/1310595573.db2.gz SBKYNLIOZCODDT-UHFFFAOYSA-N -1 0 327.833 3.032 20 30 EGEDRM Cc1cc(C)c(C(=O)/C=C\c2cccc(OCC(=O)[O-])c2)c(O)c1 ZINC000799896903 1310635513 /nfs/dbraw/zinc/63/55/13/1310635513.db2.gz ZZBOLXKPDXIYLK-SREVYHEPSA-N -1 0 326.348 3.369 20 30 EGEDRM Cc1[nH]c(CN=Nc2ncnc3c4ccccc4oc32)cc1C(=O)[O-] ZINC000800809233 1310808763 /nfs/dbraw/zinc/80/87/63/1310808763.db2.gz GKGPCRYQBBSUQJ-UHFFFAOYSA-N -1 0 335.323 3.157 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)c2cc3c(cc2Cl)CCC3=O)cc1 ZINC000800831113 1310814584 /nfs/dbraw/zinc/81/45/84/1310814584.db2.gz BVCINBHRRFPCQH-UHFFFAOYSA-N -1 0 346.795 3.141 20 30 EGEDRM CC(C)COc1ccc(C(=O)/C=C\c2cc(C(=O)[O-])nn2C)cc1 ZINC000899341979 1316996701 /nfs/dbraw/zinc/99/67/01/1316996701.db2.gz NWWNOIUPRNGVEO-TWGQIWQCSA-N -1 0 328.368 3.049 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)Nc1ccc(OC(C)C)cc1Cl ZINC000900343544 1317277468 /nfs/dbraw/zinc/27/74/68/1317277468.db2.gz VZCOAQWAJQHUAD-UHFFFAOYSA-N -1 0 326.780 3.232 20 30 EGEDRM CC(C)COc1ccc(C(=O)/C=C\c2c(C(=O)[O-])cnn2C)cc1 ZINC000901435471 1317425160 /nfs/dbraw/zinc/42/51/60/1317425160.db2.gz ATXFGGYTXRBXRX-HJWRWDBZSA-N -1 0 328.368 3.049 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cccc2oc(C)nc21 ZINC000805851369 1317431890 /nfs/dbraw/zinc/43/18/90/1317431890.db2.gz IEVNXEYWFCDZDE-AWEZNQCLSA-N -1 0 327.384 3.155 20 30 EGEDRM Cc1ccc2nc(/C=C3\C[C@H](C(=O)[O-])c4ccccc4C3=O)cn2c1 ZINC000806561409 1317501767 /nfs/dbraw/zinc/50/17/67/1317501767.db2.gz VAXPFHODXPJHKD-YJJOXIQCSA-N -1 0 332.359 3.481 20 30 EGEDRM CC(C)(C)c1[n-]n(C[C@@H]2COc3ccccc3O2)c(=O)c1CCC#N ZINC000902718631 1317607982 /nfs/dbraw/zinc/60/79/82/1317607982.db2.gz GLIKLUMMRSUYRV-CYBMUJFWSA-N -1 0 341.411 3.182 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cncc(C(F)(F)F)c1 ZINC000808977865 1317756351 /nfs/dbraw/zinc/75/63/51/1317756351.db2.gz AHPVLDZTNRMJDU-CYBMUJFWSA-N -1 0 341.333 3.119 20 30 EGEDRM COc1ccc2c(c1)C(=O)/C(=C\c1ccc(O)c(C(=O)[O-])c1)CCO2 ZINC000809157558 1317776681 /nfs/dbraw/zinc/77/66/81/1317776681.db2.gz LCJHDRFJUDBAIV-WQLSENKSSA-N -1 0 340.331 3.148 20 30 EGEDRM O=C([O-])c1cc(/C=C/C(=O)c2ccnn2-c2ccccc2)ccc1O ZINC000809156795 1317777107 /nfs/dbraw/zinc/77/71/07/1317777107.db2.gz KHMRWGJYCXWOCD-VQHVLOKHSA-N -1 0 334.331 3.172 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)CC23CC4CC(CC(C4)C2)C3)CC1 ZINC000810979610 1318085651 /nfs/dbraw/zinc/08/56/51/1318085651.db2.gz FUQVGZCSRXAPJJ-UHFFFAOYSA-N -1 0 337.485 3.148 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H](C)Cc2ccccc2Cl)CC1 ZINC000810981015 1318085990 /nfs/dbraw/zinc/08/59/90/1318085990.db2.gz JVMNLKCJJNDUCX-LBPRGKRZSA-N -1 0 341.860 3.073 20 30 EGEDRM C=CCSc1ccccc1C(=O)[N-]S(=O)(=O)C1(CC=C)CC1 ZINC000810987672 1318088293 /nfs/dbraw/zinc/08/82/93/1318088293.db2.gz VHXUWNANORSAPB-UHFFFAOYSA-N -1 0 337.466 3.133 20 30 EGEDRM N#Cc1ccc(CNN=C2CCCCc3cc(C(=O)[O-])ccc32)cc1 ZINC000811645896 1318217835 /nfs/dbraw/zinc/21/78/35/1318217835.db2.gz ZCIGTTOOABKDNU-UHFFFAOYSA-N -1 0 333.391 3.477 20 30 EGEDRM O=C(/C=C/c1cc([O-])ccc1[N+](=O)[O-])c1ccc(Br)nc1 ZINC000811696113 1318230098 /nfs/dbraw/zinc/23/00/98/1318230098.db2.gz JIAASTSDJDCTJG-ORCRQEGFSA-N -1 0 349.140 3.354 20 30 EGEDRM C#CCOc1ccc(C=NNc2ccccc2C(=O)[O-])cc1OCC ZINC000812445304 1318394421 /nfs/dbraw/zinc/39/44/21/1318394421.db2.gz PVCRFDJIFFSMBS-UHFFFAOYSA-N -1 0 338.363 3.242 20 30 EGEDRM C=C[C@@H](CC(=O)N[C@@](C)(CC(=O)[O-])c1ccccn1)c1ccccc1 ZINC000911613070 1318752091 /nfs/dbraw/zinc/75/20/91/1318752091.db2.gz XQVQRGATQMDBCL-YWZLYKJASA-N -1 0 338.407 3.248 20 30 EGEDRM Cc1ccc(C)c(NC(=S)NN=C2CC[C@@H](C(=O)[O-])C[C@@H]2C)c1 ZINC000814706881 1318801405 /nfs/dbraw/zinc/80/14/05/1318801405.db2.gz GPEBXXJANBKRPB-QWHCGFSZSA-N -1 0 333.457 3.467 20 30 EGEDRM Cc1cc(C)c(C(=O)[O-])cc1CN=Nc1nnc(-c2ccccc2)n1C ZINC000814805753 1318821413 /nfs/dbraw/zinc/82/14/13/1318821413.db2.gz HKCNNPMSYWCWTR-UHFFFAOYSA-N -1 0 349.394 3.243 20 30 EGEDRM Cn1c2ccccc2nc1N=NC1CC(C(=O)[O-])(c2ccccc2)C1 ZINC000814807473 1318822366 /nfs/dbraw/zinc/82/23/66/1318822366.db2.gz XSFDTTLTOSVCLU-UHFFFAOYSA-N -1 0 334.379 3.158 20 30 EGEDRM CC(CCCCCCC(=O)[O-])N=Nc1ccccc1S(C)(=O)=O ZINC000814846609 1318830190 /nfs/dbraw/zinc/83/01/90/1318830190.db2.gz VOJNHLXCUVRKMG-UHFFFAOYSA-N -1 0 340.445 3.303 20 30 EGEDRM CC(CCc1ccc(O[C@H](C)C(=O)[O-])cc1)=NOCc1cccnc1 ZINC000814884379 1318838649 /nfs/dbraw/zinc/83/86/49/1318838649.db2.gz VLJKBBOQOJBYBY-OAHLLOKOSA-N -1 0 342.395 3.459 20 30 EGEDRM Cc1cc(C)c(C(=O)[O-])cc1C=NNc1ccc(F)c([N+](=O)[O-])c1 ZINC000814905065 1318844370 /nfs/dbraw/zinc/84/43/70/1318844370.db2.gz MRJYJLQHDUQKJI-UHFFFAOYSA-N -1 0 331.303 3.495 20 30 EGEDRM CC[C@@H](NN=C(Cc1c(F)cccc1Cl)c1ccoc1)C(=O)[O-] ZINC000814937183 1318853857 /nfs/dbraw/zinc/85/38/57/1318853857.db2.gz XGWRJCBIZCTZOP-CQSZACIVSA-N -1 0 338.766 3.472 20 30 EGEDRM Cc1ccc(-c2nn(-c3ccccc3)cc2C=NNCC(=O)[O-])cc1C ZINC000814960554 1318859739 /nfs/dbraw/zinc/85/97/39/1318859739.db2.gz OWFAGJCTHIDSBI-UHFFFAOYSA-N -1 0 348.406 3.164 20 30 EGEDRM CCn1nc(C)c(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)n1 ZINC000815912728 1319072443 /nfs/dbraw/zinc/07/24/43/1319072443.db2.gz WTERIKYUIWLIEW-ZDUSSCGKSA-N -1 0 337.408 3.220 20 30 EGEDRM C=CCC(F)(F)C(=O)[N-]S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000815992436 1319084767 /nfs/dbraw/zinc/08/47/67/1319084767.db2.gz JKRJAYZHJZQLMN-UHFFFAOYSA-N -1 0 337.413 3.062 20 30 EGEDRM CC(C)Oc1ccccc1C=Nn1c(=S)[n-]nc1C(F)(F)F ZINC000916304001 1319636666 /nfs/dbraw/zinc/63/66/66/1319636666.db2.gz UZFDWOUJXFIPBY-UHFFFAOYSA-N -1 0 330.335 3.255 20 30 EGEDRM CCC(=NNC(=S)NC1CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000916593654 1319681506 /nfs/dbraw/zinc/68/15/06/1319681506.db2.gz WYDSRDVXQBTVTM-UHFFFAOYSA-N -1 0 332.256 3.440 20 30 EGEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1ccc(C(F)(F)F)cc1 ZINC000916892785 1319720015 /nfs/dbraw/zinc/72/00/15/1319720015.db2.gz NGGYWMOHKUCWAC-AWEZNQCLSA-N -1 0 338.329 3.477 20 30 EGEDRM C=CCNC(=O)C(C#N)=C([O-])c1cc(C)n([C@H](C)c2ccccc2)c1C ZINC000916921452 1319726371 /nfs/dbraw/zinc/72/63/71/1319726371.db2.gz SWUHHWCADLBWOJ-BEFAXECRSA-N -1 0 349.434 3.339 20 30 EGEDRM CC(C)NC(=O)C(C#N)=C([O-])c1cc2c(s1)-c1ccccc1OC2 ZINC000916944972 1319727251 /nfs/dbraw/zinc/72/72/51/1319727251.db2.gz FJBKIWCMGDNNDV-CYBMUJFWSA-N -1 0 340.404 3.155 20 30 EGEDRM COc1ccc(C(=O)/C=C/c2csc([N+](=O)[O-])c2)cc1CC(=O)[O-] ZINC000917143815 1319762693 /nfs/dbraw/zinc/76/26/93/1319762693.db2.gz QHTDRCWZPVAGJI-DUXPYHPUSA-N -1 0 347.348 3.188 20 30 EGEDRM C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000819937595 1319807238 /nfs/dbraw/zinc/80/72/38/1319807238.db2.gz HCDGDBPGHDHVCY-UHFFFAOYSA-N -1 0 335.347 3.113 20 30 EGEDRM O=C(/C=C/c1ccc([O-])c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1F ZINC000821008930 1319992280 /nfs/dbraw/zinc/99/22/80/1319992280.db2.gz UUPISMYIEPUURK-ORCRQEGFSA-N -1 0 332.243 3.244 20 30 EGEDRM C=CCC[C@H](NC(=O)/C=C(\C)c1ccccc1OC(F)F)C(=O)[O-] ZINC000823368944 1320172485 /nfs/dbraw/zinc/17/24/85/1320172485.db2.gz FJCCTQNJNCKLIJ-NHAQELONSA-N -1 0 339.338 3.227 20 30 EGEDRM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC(=O)C#CC(C)(C)C)c1 ZINC000837688396 1320666360 /nfs/dbraw/zinc/66/63/60/1320666360.db2.gz MZKXGOBYAPDERS-UHFFFAOYSA-N -1 0 340.345 3.162 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2ccc(C)c3ccccc23)CC1 ZINC000842361958 1321377108 /nfs/dbraw/zinc/37/71/08/1321377108.db2.gz OSJJBZJMOPPVPI-UHFFFAOYSA-N -1 0 329.421 3.317 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)CCC2CCCCCC2)cc1 ZINC000847618045 1321884968 /nfs/dbraw/zinc/88/49/68/1321884968.db2.gz GCRJSENFIKYSFG-UHFFFAOYSA-N -1 0 334.441 3.114 20 30 EGEDRM Cn1ncc(C2CC2)c1C/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000849171720 1322093994 /nfs/dbraw/zinc/09/39/94/1322093994.db2.gz FEJWVYQZLMCAGI-FMQZQXMHSA-N -1 0 334.763 3.184 20 30 EGEDRM C=CCC(C)(C)C(=O)[N-]S(=O)(=O)Cc1cc(F)ccc1Cl ZINC000851170476 1322343647 /nfs/dbraw/zinc/34/36/47/1322343647.db2.gz WGKRCOICTMIKIU-UHFFFAOYSA-N -1 0 333.812 3.027 20 30 EGEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])C=Cc2ccc(C(N)=O)o2)s1 ZINC000853121509 1325051881 /nfs/dbraw/zinc/05/18/81/1325051881.db2.gz GBEWDDPHLXUYNQ-MALLOTDXSA-N -1 0 343.408 3.022 20 30 EGEDRM C[C@@H]1CC(=NNCc2ccc(Br)cc2)CC[C@@H]1C(=O)[O-] ZINC000853385478 1325088270 /nfs/dbraw/zinc/08/82/70/1325088270.db2.gz ZHFBIGXJVTWLIX-YGRLFVJLSA-N -1 0 339.233 3.416 20 30 EGEDRM C[C@@H]1CCN(c2ccc(C#N)c(Cl)c2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000853989525 1325198462 /nfs/dbraw/zinc/19/84/62/1325198462.db2.gz NZDUOKFRURJYTO-RNCFNFMXSA-N -1 0 345.752 3.105 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)Cc2c(CC)oc3ccccc32)CC1 ZINC000860772273 1329353754 /nfs/dbraw/zinc/35/37/54/1329353754.db2.gz UJUKGVBSFLLPHH-UHFFFAOYSA-N -1 0 347.436 3.092 20 30 EGEDRM CC(C)=C[C@@H]1[C@H](C(=O)OCC([O-])=C(C#N)c2nc(C)cs2)C1(C)C ZINC000927720618 1328119487 /nfs/dbraw/zinc/11/94/87/1328119487.db2.gz RNZVXVQPWVSTSI-GZBFAFLISA-N -1 0 346.452 3.409 20 30 EGEDRM C=CCC[C@H](NC(=O)N[C@H](C)c1cccc(OC(F)F)c1)C(=O)[O-] ZINC000929031666 1328492817 /nfs/dbraw/zinc/49/28/17/1328492817.db2.gz UOKBIMOQYWVKIJ-MFKMUULPSA-N -1 0 342.342 3.068 20 30 EGEDRM COc1cc(C=NNCc2ccc(Cl)cc2)cc([N+](=O)[O-])c1[O-] ZINC000864026962 1329594268 /nfs/dbraw/zinc/59/42/68/1329594268.db2.gz NKWZXIQRKIDVPJ-UHFFFAOYSA-N -1 0 335.747 3.086 20 30 EGEDRM CCCCCCCN(C)S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195212732 1368401438 /nfs/dbraw/zinc/40/14/38/1368401438.db2.gz MQORDGUUCHZILQ-UHFFFAOYSA-N -1 0 349.399 3.254 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1[N-][NH+]=Cc1ccccc1N1CCCC1 ZINC001323024510 1387269788 /nfs/dbraw/zinc/26/97/88/1387269788.db2.gz JXCMWMSDYLAIAY-UHFFFAOYSA-N -1 0 339.395 3.440 20 30 EGEDRM N#Cc1cc(Cl)ccc1[N-]S(=O)(=O)Cc1cc(F)cc(F)c1 ZINC001185134309 1387624711 /nfs/dbraw/zinc/62/47/11/1387624711.db2.gz TZKZWLRYSQCKSA-UHFFFAOYSA-N -1 0 342.754 3.432 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccsc2)c(C(F)(F)F)c1 ZINC001185383116 1387699048 /nfs/dbraw/zinc/69/90/48/1387699048.db2.gz RPKZOTBLCOPIRR-UHFFFAOYSA-N -1 0 332.328 3.439 20 30 EGEDRM COc1cc(SC)ccc1[N-]S(=O)(=O)c1ccc(CC#N)cc1 ZINC001324736663 1387757154 /nfs/dbraw/zinc/75/71/54/1387757154.db2.gz QPXAMHDELQJLBZ-UHFFFAOYSA-N -1 0 348.449 3.284 20 30 EGEDRM N#Cc1cc(F)c(F)cc1[N-]S(=O)(=O)Cc1ccc(F)c(F)c1 ZINC001189315632 1366985946 /nfs/dbraw/zinc/98/59/46/1366985946.db2.gz ACCLQDMMRDLOMQ-UHFFFAOYSA-N -1 0 344.289 3.057 20 30 EGEDRM Cc1cnc(C#N)c([N-]S(=O)(=O)c2ccc(F)c3ccccc32)c1 ZINC001189354525 1367000512 /nfs/dbraw/zinc/00/05/12/1367000512.db2.gz HTCXKEMHHKZZKN-UHFFFAOYSA-N -1 0 341.367 3.355 20 30 EGEDRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(F)cc(C#N)c2)c1 ZINC001189605979 1367066037 /nfs/dbraw/zinc/06/60/37/1367066037.db2.gz NZSDQRIZBBELJX-UHFFFAOYSA-N -1 0 340.763 3.160 20 30 EGEDRM C#Cc1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2F)cc1F ZINC001190395485 1367251346 /nfs/dbraw/zinc/25/13/46/1367251346.db2.gz PWAPFUGUKUOOSJ-UHFFFAOYSA-N -1 0 329.274 3.025 20 30 EGEDRM Cc1nc(C(F)(F)F)c(C(=O)Nc2cc(C#N)c(F)cc2[O-])s1 ZINC001190499458 1367276931 /nfs/dbraw/zinc/27/69/31/1367276931.db2.gz AKUNUWIBPKMSRU-UHFFFAOYSA-N -1 0 345.277 3.439 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CCC3)c1 ZINC001190648294 1367315276 /nfs/dbraw/zinc/31/52/76/1367315276.db2.gz ZKUCSTAJJYAZDN-UHFFFAOYSA-N -1 0 344.367 3.017 20 30 EGEDRM Cc1ccnc2cc([N-]S(=O)(=O)c3cc(C#N)ccc3F)ccc12 ZINC001190650889 1367316216 /nfs/dbraw/zinc/31/62/16/1367316216.db2.gz NVDHSYYTEUNLCK-UHFFFAOYSA-N -1 0 341.367 3.355 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)NCc2cc3ccccc3s2)c1 ZINC001190661231 1367321540 /nfs/dbraw/zinc/32/15/40/1367321540.db2.gz PNMULKRGMJLFLE-UHFFFAOYSA-N -1 0 346.408 3.391 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-][C@H](c2ccc(O)cc2)C(F)(F)F)CC1 ZINC001190834859 1367363404 /nfs/dbraw/zinc/36/34/04/1367363404.db2.gz PWAVDARBYFGXEY-GFCCVEGCSA-N -1 0 335.347 3.024 20 30 EGEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C3CCC3)no2)c1 ZINC001190932359 1367384404 /nfs/dbraw/zinc/38/44/04/1367384404.db2.gz GDABVXGSJPICDX-UHFFFAOYSA-N -1 0 337.788 3.268 20 30 EGEDRM Cc1oc([N-]S(=O)(=O)c2cccc3cc(C)cnc32)c(C#N)c1C ZINC001191150577 1367433523 /nfs/dbraw/zinc/43/35/23/1367433523.db2.gz HRRQSJWCWSEYJX-UHFFFAOYSA-N -1 0 341.392 3.426 20 30 EGEDRM CCCCc1ccc(S(=O)(=O)[N-]c2cc(F)cnc2C#N)cc1 ZINC001191232924 1367454011 /nfs/dbraw/zinc/45/40/11/1367454011.db2.gz MAONYPCWINTKLY-UHFFFAOYSA-N -1 0 333.388 3.236 20 30 EGEDRM Cc1nn(-c2ccccc2)nc1C(=O)[N-]c1c(C#N)oc2ccccc21 ZINC001192537068 1367810173 /nfs/dbraw/zinc/81/01/73/1367810173.db2.gz LEAIAQDYOTVWEJ-UHFFFAOYSA-N -1 0 343.346 3.446 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2cc(Cl)cc(C#N)c2)cnc1Cl ZINC001192571320 1367821617 /nfs/dbraw/zinc/82/16/17/1367821617.db2.gz DAWPFTWDDKYDLG-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1cc(-c2cccc(C(F)(F)F)c2)no1 ZINC001193104741 1367945377 /nfs/dbraw/zinc/94/53/77/1367945377.db2.gz MIMGKMHGSUJNFU-QMMMGPOBSA-N -1 0 345.302 3.014 20 30 EGEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1cccc2cccc(Br)c21 ZINC001193161506 1367956819 /nfs/dbraw/zinc/95/68/19/1367956819.db2.gz QNKVUPNQZBUZQU-VIFPVBQESA-N -1 0 339.214 3.256 20 30 EGEDRM N#Cc1cc(C(=O)N2CCn3cccc3[C@H]2c2ccccc2)ccc1[O-] ZINC001193495104 1368045454 /nfs/dbraw/zinc/04/54/54/1368045454.db2.gz WVZCKPSWKLBROO-HXUWFJFHSA-N -1 0 343.386 3.311 20 30 EGEDRM N#Cc1cc(C(=O)NCCCc2cncc(C(F)(F)F)c2)ccc1[O-] ZINC001193495058 1368045561 /nfs/dbraw/zinc/04/55/61/1368045561.db2.gz VDGXYXUBQIWDLV-UHFFFAOYSA-N -1 0 349.312 3.040 20 30 EGEDRM N#Cc1cc(C(=O)Nc2cn3cc(C(F)(F)F)ccc3n2)ccc1[O-] ZINC001193499426 1368046377 /nfs/dbraw/zinc/04/63/77/1368046377.db2.gz QWSRCKCQPVALSE-UHFFFAOYSA-N -1 0 346.268 3.183 20 30 EGEDRM N#Cc1cccnc1[N-]S(=O)(=O)c1ccc(-c2cccs2)cc1 ZINC001194133780 1368188833 /nfs/dbraw/zinc/18/88/33/1368188833.db2.gz MRMGWDSKWUZFOS-UHFFFAOYSA-N -1 0 341.417 3.483 20 30 EGEDRM COc1ccc(C2=CCN(C(=O)c3ccc(C#N)cc3[O-])CC2)cc1 ZINC001195751765 1368482794 /nfs/dbraw/zinc/48/27/94/1368482794.db2.gz XPIMFEZSSZDIIX-UHFFFAOYSA-N -1 0 334.375 3.202 20 30 EGEDRM Cc1cnc(C#N)c([N-]S(=O)(=O)c2csc3ccccc32)c1 ZINC001186454134 1387945953 /nfs/dbraw/zinc/94/59/53/1387945953.db2.gz DEYDINGQZHHPRO-UHFFFAOYSA-N -1 0 329.406 3.277 20 30 EGEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ncc(Cl)cc1F ZINC001196643643 1368655163 /nfs/dbraw/zinc/65/51/63/1368655163.db2.gz LWHFEFXPNQULQG-UHFFFAOYSA-N -1 0 346.170 3.200 20 30 EGEDRM CC(=O)c1ccsc1[N-]S(=O)(=O)c1cc(Cl)ccc1C#N ZINC001196650042 1368656241 /nfs/dbraw/zinc/65/62/41/1368656241.db2.gz FVANPNJGXSHYIV-UHFFFAOYSA-N -1 0 340.813 3.277 20 30 EGEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(C2CC2)nc1 ZINC001196650599 1368656319 /nfs/dbraw/zinc/65/63/19/1368656319.db2.gz RMNXDUOQBZOMNI-UHFFFAOYSA-N -1 0 333.800 3.285 20 30 EGEDRM Cc1cc(C(=O)Nc2c(C#N)oc3ccccc32)nn1-c1ccccn1 ZINC001197507671 1368829018 /nfs/dbraw/zinc/82/90/18/1368829018.db2.gz PVTUBUZGQDQNPV-UHFFFAOYSA-N -1 0 343.346 3.446 20 30 EGEDRM C=C(C)c1ccccc1NS(=O)(=O)c1ccc2nccnc2c1 ZINC001198147519 1368968084 /nfs/dbraw/zinc/96/80/84/1368968084.db2.gz CXBIVXNZNZMPHW-UHFFFAOYSA-N -1 0 325.393 3.464 20 30 EGEDRM Cc1sc([N-]S(=O)(=O)c2cccc(Cl)n2)c(C#N)c1C ZINC001198197747 1368978496 /nfs/dbraw/zinc/97/84/96/1368978496.db2.gz OGNOBTVMOKWIEH-UHFFFAOYSA-N -1 0 327.818 3.086 20 30 EGEDRM Cc1c(Cl)onc1C(=O)[N-]c1c(C#N)cnnc1-c1ccccc1 ZINC001199671147 1369251374 /nfs/dbraw/zinc/25/13/74/1369251374.db2.gz ODNPYQJUTOUZBV-UHFFFAOYSA-N -1 0 339.742 3.217 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)n2)cc1C#N ZINC001201292786 1369512242 /nfs/dbraw/zinc/51/22/42/1369512242.db2.gz MIGWFLGRVMMJEA-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM CCc1cc(C#N)ccc1[N-]S(=O)(=O)c1sc(Cl)nc1C ZINC001201755850 1369617218 /nfs/dbraw/zinc/61/72/18/1369617218.db2.gz GLPPGARSYRHQEV-UHFFFAOYSA-N -1 0 341.845 3.340 20 30 EGEDRM Cc1nc(Cl)sc1S(=O)(=O)[N-]c1cc(F)c(C#N)c(F)c1 ZINC001201763836 1369619711 /nfs/dbraw/zinc/61/97/11/1369619711.db2.gz JOQOORVKAUKNLQ-UHFFFAOYSA-N -1 0 349.771 3.056 20 30 EGEDRM N#Cc1cccc(NC(=O)Nc2ncc(Br)cc2[O-])c1 ZINC001202777752 1369887806 /nfs/dbraw/zinc/88/78/06/1369887806.db2.gz FSGZANBKQDTEHZ-UHFFFAOYSA-N -1 0 333.145 3.065 20 30 EGEDRM N#Cc1ccc(Nc2ccc(C(=O)[O-])cc2F)c(Br)n1 ZINC001203286225 1370061976 /nfs/dbraw/zinc/06/19/76/1370061976.db2.gz MCSYBAIMLBCRTG-UHFFFAOYSA-N -1 0 336.120 3.297 20 30 EGEDRM COc1ccc([N-]S(=O)(=O)c2cc3c(s2)CCCC3)c(C#N)c1 ZINC001187206976 1388071257 /nfs/dbraw/zinc/07/12/57/1388071257.db2.gz NRTROXXMGFQGSN-UHFFFAOYSA-N -1 0 348.449 3.308 20 30 EGEDRM N#CC1(c2ccc(-c3ccc(F)c(C(=O)[O-])c3F)nc2)CCOCC1 ZINC001205075507 1370643082 /nfs/dbraw/zinc/64/30/82/1370643082.db2.gz SSSINSAYKZXHMI-UHFFFAOYSA-N -1 0 344.317 3.297 20 30 EGEDRM CC(C)C(=O)Nc1cccc(C(=O)Nc2cc(C#N)c(F)cc2[O-])c1 ZINC001187331388 1388095071 /nfs/dbraw/zinc/09/50/71/1388095071.db2.gz RJYGDVQSOGEIGY-UHFFFAOYSA-N -1 0 341.342 3.250 20 30 EGEDRM CC(C)(C)OC(=O)[C@@H](C#N)c1cccc(-c2csc(C(=O)[O-])c2)n1 ZINC001206257103 1371005474 /nfs/dbraw/zinc/00/54/74/1371005474.db2.gz QPEFBSXZHCKDLF-NSHDSACASA-N -1 0 344.392 3.457 20 30 EGEDRM C=CCC[C@@H](NC(=O)N[C@H](CC(F)(F)F)C(=O)[O-])c1ccccc1 ZINC001119714466 1371392927 /nfs/dbraw/zinc/39/29/27/1371392927.db2.gz BNIBIAFIUSVPAC-CHWSQXEVSA-N -1 0 344.333 3.399 20 30 EGEDRM C=CC[C@H](NC(=O)Nc1ccc(OC(C)C)cc1Cl)C(=O)[O-] ZINC001120003906 1371451300 /nfs/dbraw/zinc/45/13/00/1371451300.db2.gz NYJLSGDSUMXLSA-ZDUSSCGKSA-N -1 0 326.780 3.278 20 30 EGEDRM N#Cc1cnn(-c2ccc(F)cc2)c1Nc1cc(F)cc(C(=O)[O-])c1 ZINC001209884805 1372222219 /nfs/dbraw/zinc/22/22/19/1372222219.db2.gz CDWAVOUCRHUOBN-UHFFFAOYSA-N -1 0 340.289 3.464 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2cnn3c2nc(C)cc3C(F)F)n1 ZINC001122479247 1372255970 /nfs/dbraw/zinc/25/59/70/1372255970.db2.gz JYNNURJIMJLWDS-SECBINFHSA-N -1 0 347.350 3.230 20 30 EGEDRM CCS(=O)(=O)c1ccc([O-])c(Nc2cc(Cl)cc(C#N)c2)c1 ZINC001210538250 1372374130 /nfs/dbraw/zinc/37/41/30/1372374130.db2.gz YBYJKFLILHJDQH-UHFFFAOYSA-N -1 0 336.800 3.454 20 30 EGEDRM Cn1c(Cl)cnc1[C@@H](C#N)C(=O)c1ccc(OC(C)(C)C)cn1 ZINC001123336204 1372430759 /nfs/dbraw/zinc/43/07/59/1372430759.db2.gz DUKPMJGRTDLKTP-NSHDSACASA-N -1 0 332.791 3.136 20 30 EGEDRM N#Cc1ccc(F)c(-c2noc(-c3c([O-])cccc3[N+](=O)[O-])n2)c1 ZINC001216845439 1373350745 /nfs/dbraw/zinc/35/07/45/1373350745.db2.gz OCVFIHJYRQYVSZ-UHFFFAOYSA-N -1 0 326.243 3.028 20 30 EGEDRM COc1cc(Cl)cnc1-c1noc(-c2cccc(C#N)c2[O-])n1 ZINC001216979883 1373374644 /nfs/dbraw/zinc/37/46/44/1373374644.db2.gz LFUUQAAQNXEKSI-UHFFFAOYSA-N -1 0 328.715 3.038 20 30 EGEDRM N#Cc1cccc(-c2noc(-c3cc(=O)c4cccc(O)c4[n-]3)n2)c1 ZINC001217367293 1373432248 /nfs/dbraw/zinc/43/22/48/1373432248.db2.gz GOEUJEKKUVSFHL-UHFFFAOYSA-N -1 0 330.303 3.235 20 30 EGEDRM N#CC1(c2ccc(-c3c(F)cc(C(=O)[O-])cc3F)nc2)CCOCC1 ZINC001222392155 1373833975 /nfs/dbraw/zinc/83/39/75/1373833975.db2.gz PVEAUJHCPDTODS-UHFFFAOYSA-N -1 0 344.317 3.297 20 30 EGEDRM O=c1ncc([N+](=O)[O-])c(O[C@@H](C#Cc2ccccc2)c2ccccc2)[n-]1 ZINC001226336108 1375241944 /nfs/dbraw/zinc/24/19/44/1375241944.db2.gz NFBPVFAIHIMISE-KRWDZBQOSA-N -1 0 347.330 3.262 20 30 EGEDRM C=CC[C@@H](NC(=O)c1cccc(OCc2cccs2)c1)C(=O)[O-] ZINC001327014720 1388365692 /nfs/dbraw/zinc/36/56/92/1388365692.db2.gz ZXPSQZRAIMYAQN-OAHLLOKOSA-N -1 0 331.393 3.086 20 30 EGEDRM C=C[C@]1(C)CC[C@@H](Oc2n[n-]c(=O)cc2Br)C(C)(C)O1 ZINC001226849742 1375345338 /nfs/dbraw/zinc/34/53/38/1375345338.db2.gz QAWBLUBOGGVWNG-QMTHXVAHSA-N -1 0 343.221 3.226 20 30 EGEDRM C=C[C@H](CC(=O)OC(C)(C)C)Oc1n[n-]c(=O)c(Cl)c1Cl ZINC001227601787 1375450876 /nfs/dbraw/zinc/45/08/76/1375450876.db2.gz HCSWAAVZBPSYRW-SSDOTTSWSA-N -1 0 335.187 3.154 20 30 EGEDRM N#C[C@H]1CC[C@@H](Oc2c(Cl)cc(S(=O)(=O)[O-])cc2Cl)C1 ZINC001227634045 1375456700 /nfs/dbraw/zinc/45/67/00/1375456700.db2.gz ILRQMUTYUNEWCS-JGVFFNPUSA-N -1 0 336.196 3.311 20 30 EGEDRM N#Cc1cnoc1[N-]S(=O)(=O)c1ccc2oc3ccccc3c2c1 ZINC001188803765 1388380150 /nfs/dbraw/zinc/38/01/50/1388380150.db2.gz WXSIRQXOKSKHJT-UHFFFAOYSA-N -1 0 339.332 3.246 20 30 EGEDRM C[C@@H](C#C[Si](C)(C)C)Oc1[n-]c(C(F)(F)F)cc(=O)c1[N+](=O)[O-] ZINC001228860016 1375697669 /nfs/dbraw/zinc/69/76/69/1375697669.db2.gz QROTXEZFDSDCEH-QMMMGPOBSA-N -1 0 348.353 3.362 20 30 EGEDRM O=c1[n-]c(=O)c(F)c(O[C@H](C#Cc2ccccc2)c2ccccc2)[nH]1 ZINC001229126604 1375770565 /nfs/dbraw/zinc/77/05/65/1375770565.db2.gz YSJHTFYBEHQOPN-OAHLLOKOSA-N -1 0 336.322 3.199 20 30 EGEDRM C#C[C@H](Oc1cccc2c1cccc2S(=O)(=O)[O-])c1ccncc1 ZINC001229354695 1375817225 /nfs/dbraw/zinc/81/72/25/1375817225.db2.gz XEFKCGIYNIAHIO-INIZCTEOSA-N -1 0 339.372 3.235 20 30 EGEDRM N#C[C@@H]1CCCN(Cc2cc(F)c([O-])c(Br)c2)CC1 ZINC001232633144 1376493529 /nfs/dbraw/zinc/49/35/29/1376493529.db2.gz GANLSNYKFUCKPA-SNVBAGLBSA-N -1 0 327.197 3.419 20 30 EGEDRM N#Cc1ccc([O-])c(CN2CCO[C@@H](c3ccc(F)c(F)c3)C2)c1 ZINC001232678456 1376500658 /nfs/dbraw/zinc/50/06/58/1376500658.db2.gz GUNIBHKNJXIYSB-GOSISDBHSA-N -1 0 330.334 3.116 20 30 EGEDRM N#Cc1cc(Cc2ccccc2)sc1[N-]S(=O)(=O)C(F)(F)F ZINC001252273788 1377088191 /nfs/dbraw/zinc/08/81/91/1377088191.db2.gz QDMBUQSYILRADF-UHFFFAOYSA-N -1 0 346.355 3.472 20 30 EGEDRM O=C(/C=C/NC(=O)c1cc(Cl)cc(Cl)c1[O-])C(F)(F)F ZINC001148814118 1379274595 /nfs/dbraw/zinc/27/45/95/1379274595.db2.gz OPALHLCHUWGTSV-OWOJBTEDSA-N -1 0 328.073 3.074 20 30 EGEDRM COc1ccc(C#N)cc1NC(=O)c1c(O)cc2ccccc2c1[O-] ZINC001154027959 1380185057 /nfs/dbraw/zinc/18/50/57/1380185057.db2.gz KLNNTCLZGLMPOC-UHFFFAOYSA-N -1 0 334.331 3.384 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1Nc1cccc(C#CC(C)(C)O)c1 ZINC001174675234 1385132802 /nfs/dbraw/zinc/13/28/02/1385132802.db2.gz JJQYORLUMKFYPT-UHFFFAOYSA-N -1 0 325.364 3.259 20 30 EGEDRM CCOC(=O)c1c(C)oc(Nc2ccc(F)c(C(=O)[O-])c2)c1C#N ZINC001175216555 1385222515 /nfs/dbraw/zinc/22/25/15/1385222515.db2.gz DHZZAGROFCFUHX-UHFFFAOYSA-N -1 0 332.287 3.217 20 30 EGEDRM N#Cc1cnn(-c2ccccn2)c1Nc1c(F)cc(F)c([O-])c1F ZINC001176663087 1385650704 /nfs/dbraw/zinc/65/07/04/1385650704.db2.gz BCFLULYUJUSQEE-UHFFFAOYSA-N -1 0 331.257 3.005 20 30 EGEDRM Cn1c(C[N-]C(=O)C(F)(F)C(F)(F)Cl)ccc1C(F)(F)F ZINC001179779660 1386582240 /nfs/dbraw/zinc/58/22/40/1386582240.db2.gz HGUNIXVXZGJZJR-UHFFFAOYSA-N -1 0 340.626 3.127 20 30 EGEDRM C=CC[C@@H](NC(=O)NC[C@H](C)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC001321145658 1386821661 /nfs/dbraw/zinc/82/16/61/1386821661.db2.gz XMQJEKYFSDOSBW-JOYOIKCWSA-N -1 0 345.226 3.425 20 30 EGEDRM C=CC[C@@H](NC(=O)CSCc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC001321203552 1386840032 /nfs/dbraw/zinc/84/00/32/1386840032.db2.gz IOBAPARDGIZISZ-GFCCVEGCSA-N -1 0 348.251 3.372 20 30 EGEDRM C=CC[C@@H](NC(=O)CCCc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC001321202926 1386840165 /nfs/dbraw/zinc/84/01/65/1386840165.db2.gz HLUMJSHYRXKINQ-CYBMUJFWSA-N -1 0 330.211 3.462 20 30 EGEDRM C=CC[C@H](NC(=O)N[C@@H](C)c1oc2ccc(OC)cc2c1C)C(=O)[O-] ZINC001321278043 1386863948 /nfs/dbraw/zinc/86/39/48/1386863948.db2.gz QZYAPPUPCFAVRF-FZMZJTMJSA-N -1 0 346.383 3.139 20 30 EGEDRM O=C([O-])c1cccc(COc2cccc(CN=Nc3cncnc3)c2)c1 ZINC001321818413 1386990098 /nfs/dbraw/zinc/99/00/98/1386990098.db2.gz IGMPZCMYBKWZDK-UHFFFAOYSA-N -1 0 348.362 3.200 20 30 EGEDRM CN(C)c1ccc(CCC(=O)Nc2cc(C#N)c(F)cc2[O-])cc1 ZINC001182003953 1387092935 /nfs/dbraw/zinc/09/29/35/1387092935.db2.gz JDRDFCRKKWWYNJ-UHFFFAOYSA-N -1 0 327.359 3.040 20 30 EGEDRM C=CC[C@H](NC(=O)Nc1ccc(OCCC)c(Cl)c1)C(=O)[O-] ZINC001322513579 1387198954 /nfs/dbraw/zinc/19/89/54/1387198954.db2.gz JFCYQTJGDQIOLZ-LBPRGKRZSA-N -1 0 326.780 3.280 20 30 EGEDRM N#CCc1ccc(S(=O)(=O)[N-]c2cnoc2-c2ccccc2)cc1 ZINC001337313263 1389300081 /nfs/dbraw/zinc/30/00/81/1389300081.db2.gz XIOGDXJCYKWUPA-UHFFFAOYSA-N -1 0 339.376 3.208 20 30 EGEDRM CCc1c(C)sc([N-]S(=O)(=O)c2ccc(CC#N)cc2)c1C#N ZINC001332078734 1389970849 /nfs/dbraw/zinc/97/08/49/1389970849.db2.gz SQSMPOWCNSKBDP-UHFFFAOYSA-N -1 0 345.449 3.357 20 30 EGEDRM C=CCC[C@H]1CCCN1C(=O)c1nn(-c2ccc(OC)cc2)cc1[O-] ZINC001339281511 1389973246 /nfs/dbraw/zinc/97/32/46/1389973246.db2.gz VFTNWJHMFVDSQY-AWEZNQCLSA-N -1 0 341.411 3.157 20 30 EGEDRM C=CC[C@H](NC(=O)Nc1cccc(C2SCCS2)c1)C(=O)[O-] ZINC001339754326 1390130827 /nfs/dbraw/zinc/13/08/27/1390130827.db2.gz NSRWWSPPGGKSBG-LBPRGKRZSA-N -1 0 338.454 3.316 20 30 EGEDRM N#CC(=C([O-])c1nccc2ccccc21)c1nc(N)c2ccccc2n1 ZINC001342566113 1390627105 /nfs/dbraw/zinc/62/71/05/1390627105.db2.gz MPECVIXMXUGMRA-OAHLLOKOSA-N -1 0 339.358 3.250 20 30 EGEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(-c2cccs2)s1 ZINC001342583865 1390628946 /nfs/dbraw/zinc/62/89/46/1390628946.db2.gz NCLWYNURJXCAKL-LLVKDONJSA-N -1 0 330.434 3.421 20 30 EGEDRM N#CC(=C([O-])c1cnc(Oc2ccccc2)cn1)c1cccc(F)n1 ZINC001342665191 1390638815 /nfs/dbraw/zinc/63/88/15/1390638815.db2.gz VHNVMEHTVOCBCA-ZDUSSCGKSA-N -1 0 334.310 3.293 20 30 EGEDRM CCc1cc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)nn1C ZINC001343365970 1390709597 /nfs/dbraw/zinc/70/95/97/1390709597.db2.gz LTKJVSHUPOBYAC-NSHDSACASA-N -1 0 343.337 3.217 20 30 EGEDRM N#CC(=C([O-])c1ncc(Br)cn1)c1nc(C2CC2)cs1 ZINC001343756198 1390735122 /nfs/dbraw/zinc/73/51/22/1390735122.db2.gz QFLQWPGGGMAKDM-SECBINFHSA-N -1 0 349.213 3.063 20 30 EGEDRM C=CC[C@@H](NC(=O)NCC1(c2cccs2)CCCCC1)C(=O)[O-] ZINC001344465347 1390793158 /nfs/dbraw/zinc/79/31/58/1390793158.db2.gz SRHUOIKUNWXVPD-CYBMUJFWSA-N -1 0 336.457 3.279 20 30 EGEDRM Cc1cc(C)n2ncc(C([O-])=C(C#N)c3nc(C4CC4)cs3)c2n1 ZINC001344836784 1390818209 /nfs/dbraw/zinc/81/82/09/1390818209.db2.gz MPKDBSLQHVUACT-LBPRGKRZSA-N -1 0 337.408 3.170 20 30 EGEDRM Cc1cc(Br)oc1C([O-])=C(C#N)c1ncc(Cl)n1C ZINC001349703334 1391356123 /nfs/dbraw/zinc/35/61/23/1391356123.db2.gz WNFCOIKGSFXDIA-ZETCQYMHSA-N -1 0 342.580 3.228 20 30 EGEDRM C=CC[C@H](NC(=O)/C=C\c1cccc(OC2CCCC2)c1)C(=O)[O-] ZINC001350743119 1391521193 /nfs/dbraw/zinc/52/11/93/1391521193.db2.gz GUGBYVGQPWVOLH-CPFIRTDXSA-N -1 0 329.396 3.167 20 30 EGEDRM Clc1nc(Cl)c(C=NNc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000826354062 1428697122 /nfs/dbraw/zinc/69/71/22/1428697122.db2.gz OICSZMJEELOMNZ-UHFFFAOYSA-N -1 0 340.199 3.076 20 30 EGEDRM CC(C)(C#N)c1ccccc1COc1ccc(-c2nn[n-]n2)c(F)c1 ZINC000819892001 1428921771 /nfs/dbraw/zinc/92/17/71/1428921771.db2.gz PPKPXNSGNGQXFU-UHFFFAOYSA-N -1 0 337.358 3.386 20 30 EGEDRM O=C(C=Cc1cc(-n2ccnc2)cs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826399602 1429363706 /nfs/dbraw/zinc/36/37/06/1429363706.db2.gz AEYPLIAZHLYYSP-AATRIKPKSA-N -1 0 348.391 3.010 20 30 EGEDRM CC(=NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cc(C)ccc1O ZINC000823958347 1423596192 /nfs/dbraw/zinc/59/61/92/1423596192.db2.gz KLSDVUYFTOVZOP-UHFFFAOYSA-N -1 0 342.790 3.370 20 30 EGEDRM O=C(C=Cc1ccnc2ccccc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000737804236 1424577091 /nfs/dbraw/zinc/57/70/91/1424577091.db2.gz AEPLFJDWBQNELQ-KTKRTIGZSA-N -1 0 327.347 3.311 20 30 EGEDRM CC(C)c1nc(-c2nn[n-]n2)c(N=NC(C)Cc2cccc(F)c2)o1 ZINC000820300579 1424746568 /nfs/dbraw/zinc/74/65/68/1424746568.db2.gz RBJXWKHBWOUBFB-UHFFFAOYSA-N -1 0 343.366 3.148 20 30 EGEDRM CCOc1ccccc1C=CC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000825653420 1425021089 /nfs/dbraw/zinc/02/10/89/1425021089.db2.gz CHQDPKVZDRBNIP-BQYQJAHWSA-N -1 0 326.381 3.223 20 30 EGEDRM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)c(Cl)c1 ZINC000819773154 1425750075 /nfs/dbraw/zinc/75/00/75/1425750075.db2.gz PWXIGLJBHAEWGC-UHFFFAOYSA-N -1 0 344.781 3.173 20 30 EGEDRM Cc1ccc2c(c1)OCCCC2=NNc1ccc(-c2nn[n-]n2)cc1 ZINC000822279560 1425780009 /nfs/dbraw/zinc/78/00/09/1425780009.db2.gz ARCUVDXRFMESPL-UHFFFAOYSA-N -1 0 334.383 3.164 20 30 EGEDRM CCC[C@H](CN=Nc1oc(C)nc1-c1nn[n-]n1)c1ccccc1 ZINC000825234398 1426296758 /nfs/dbraw/zinc/29/67/58/1426296758.db2.gz ZRRJWXMXCKLNFL-CYBMUJFWSA-N -1 0 325.376 3.145 20 30 EGEDRM N#Cc1cccc(OCCSc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000737730904 1426724391 /nfs/dbraw/zinc/72/43/91/1426724391.db2.gz RLWKHDJVVAUERN-UHFFFAOYSA-N -1 0 341.371 3.049 20 30 EGEDRM N#Cc1ccc(N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c(F)c1 ZINC000826385671 1426921452 /nfs/dbraw/zinc/92/14/52/1426921452.db2.gz WHNJVQZSBSOMCI-UHFFFAOYSA-N -1 0 346.369 3.171 20 30 EGEDRM Cc1ccsc1C(C)N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC000735450994 1427132551 /nfs/dbraw/zinc/13/25/51/1427132551.db2.gz MDBJOGKAZJIOEX-UHFFFAOYSA-N -1 0 345.432 3.358 20 30 EGEDRM C=CCC[C@H](NC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000819734977 1430188351 /nfs/dbraw/zinc/18/83/51/1430188351.db2.gz YFNUBCRJUOXDSW-KRWDZBQOSA-N -1 0 333.395 3.304 20 30 EGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C1(CC)CCCC1 ZINC000819742850 1430192509 /nfs/dbraw/zinc/19/25/09/1430192509.db2.gz AUGCZIVUEWKHOE-UHFFFAOYSA-N -1 0 339.443 3.352 20 30 EGEDRM Clc1ccc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)cn1 ZINC000826352005 1441677647 /nfs/dbraw/zinc/67/76/47/1441677647.db2.gz JNLYWDQQDCOKMY-UHFFFAOYSA-N -1 0 334.170 3.015 20 30 EGEDRM C=CCOc1ccccc1C[NH2+][C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000823931609 1441720326 /nfs/dbraw/zinc/72/03/26/1441720326.db2.gz BFBYFMGELKEMML-AWEZNQCLSA-N -1 0 335.411 3.282 20 30 EGEDRM Cc1cc(C)c(C=NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)[nH]1 ZINC000822194072 1441822039 /nfs/dbraw/zinc/82/20/39/1441822039.db2.gz HMSYIUVHXVQWMM-UHFFFAOYSA-N -1 0 349.320 3.276 20 30 EGEDRM Fc1cc(-c2nn[n-]n2)ccc1C=NNc1cccc(Cl)c1F ZINC000822739893 1441893372 /nfs/dbraw/zinc/89/33/72/1441893372.db2.gz DOYUBVRIVXJPOF-UHFFFAOYSA-N -1 0 334.717 3.244 20 30 EGEDRM N#CCCCCSCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000822805831 1442103027 /nfs/dbraw/zinc/10/30/27/1442103027.db2.gz FIEASDAOFQCSCC-UHFFFAOYSA-N -1 0 339.371 3.395 20 30 EGEDRM CC[C@@H](CC1CCCC1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000736349302 1442309642 /nfs/dbraw/zinc/30/96/42/1442309642.db2.gz FGDPVSXDKVYLTC-ZDUSSCGKSA-N -1 0 338.415 3.283 20 30 EGEDRM Fc1cc(OCC#Cc2ccc(Cl)cc2)ccc1-c1nn[n-]n1 ZINC000822753132 1443294413 /nfs/dbraw/zinc/29/44/13/1443294413.db2.gz FXFWZGOCIBJUJG-UHFFFAOYSA-N -1 0 328.734 3.090 20 30 EGEDRM N#Cc1ccc(Cl)cc1Oc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000822825619 1443320840 /nfs/dbraw/zinc/32/08/40/1443320840.db2.gz JACHCZSIJAVBBR-UHFFFAOYSA-N -1 0 342.702 3.092 20 30 EGEDRM Cc1ccc2c(c1)OCCCC2=NNc1cccc(-c2nn[n-]n2)c1 ZINC000822279618 1443570570 /nfs/dbraw/zinc/57/05/70/1443570570.db2.gz CQFNWMNVPQSELK-UHFFFAOYSA-N -1 0 334.383 3.164 20 30 EGEDRM O=C1c2cccc(Cl)c2OC1=Cc1cc(-c2nnn[n-]2)cs1 ZINC000823503784 1443778673 /nfs/dbraw/zinc/77/86/73/1443778673.db2.gz ISUKYYDNECCAGG-WZUFQYTHSA-N -1 0 330.756 3.198 20 30 EGEDRM C=C[C@H](CC(=O)OCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823883560 1443938458 /nfs/dbraw/zinc/93/84/58/1443938458.db2.gz UBBHDAWSXMSKTQ-OAHLLOKOSA-N -1 0 334.379 3.270 20 30 EGEDRM CC(=NNc1cc(F)cc(F)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823958332 1446479470 /nfs/dbraw/zinc/47/94/70/1446479470.db2.gz JRQCOWIAFWVGTC-UHFFFAOYSA-N -1 0 332.289 3.120 20 30 EGEDRM O=C(Nc1cccc(C#Cc2cccs2)c1)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001601615988 971031493 /nfs/dbraw/zinc/03/14/93/971031493.db2.gz QBDQQGYHIYRJOX-OTVXOJSOSA-N -1 0 340.404 3.133 20 30 EGEDRM C=CCN(CC=C)C(=O)COc1c(C(=O)[O-])ccc2ccccc21 ZINC000324374585 971113854 /nfs/dbraw/zinc/11/38/54/971113854.db2.gz KDYOCRCRDKHMTA-UHFFFAOYSA-N -1 0 325.364 3.117 20 30 EGEDRM C=CCN(Cc1ccccc1F)C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001602722774 971389316 /nfs/dbraw/zinc/38/93/16/971389316.db2.gz NPWATSOMIDYWMW-NTMALXAHSA-N -1 0 329.327 3.345 20 30 EGEDRM C=CCSCCNC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001602728741 971396075 /nfs/dbraw/zinc/39/60/75/971396075.db2.gz AQESPIMWVFCFFS-UHFFFAOYSA-N -1 0 332.784 3.218 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NCC1(c2cccc(Cl)c2)CCCC1 ZINC001602781314 971522783 /nfs/dbraw/zinc/52/27/83/971522783.db2.gz VTNSCAYGWYETHJ-QGZVFWFLSA-N -1 0 348.830 3.273 20 30 EGEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)C1(C(=O)[O-])CC=CC1 ZINC001602786466 971535322 /nfs/dbraw/zinc/53/53/22/971535322.db2.gz SNWLHZYWYPKOQG-LBPRGKRZSA-N -1 0 330.409 3.298 20 30 EGEDRM CCCNc1ccc(C#N)cc1NC(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001589677864 950020740 /nfs/dbraw/zinc/02/07/40/950020740.db2.gz SUJCQSXGEAHFBU-XQRVVYSFSA-N -1 0 339.351 3.323 20 30 EGEDRM CC(C)(C)CCN(CCc1ccccc1)C(=O)[C@](C)(C#N)CC(=O)[O-] ZINC001602861829 971725799 /nfs/dbraw/zinc/72/57/99/971725799.db2.gz OXQFKZNDNYTZBD-FQEVSTJZSA-N -1 0 344.455 3.498 20 30 EGEDRM CC[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)C(=O)[O-] ZINC001593619215 953520516 /nfs/dbraw/zinc/52/05/16/953520516.db2.gz LJIXCCFYDADYPY-INIZCTEOSA-N -1 0 339.351 3.335 20 30 EGEDRM N#Cc1cc(Cl)ccc1CN1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001594616911 956243584 /nfs/dbraw/zinc/24/35/84/956243584.db2.gz SYPKKXSMQJFFSR-KRWDZBQOSA-N -1 0 326.783 3.396 20 30 EGEDRM N#Cc1ccc(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cc1Cl ZINC001594617547 956250393 /nfs/dbraw/zinc/25/03/93/956250393.db2.gz FBMBHIJRBRCMBY-LKTVYLICSA-N -1 0 332.787 3.070 20 30 EGEDRM N#Cc1ccc(C2CCN(C(=O)[C@H](C(=O)[O-])C3CCCC3)CC2)cc1 ZINC001594618437 956264356 /nfs/dbraw/zinc/26/43/56/956264356.db2.gz ORZCQAIVWDGCAE-GOSISDBHSA-N -1 0 340.423 3.155 20 30 EGEDRM N#Cc1ccc(C2(NC(=O)Nc3ccccc3C(=O)[O-])CCC2)cc1 ZINC001594618498 956264699 /nfs/dbraw/zinc/26/46/99/956264699.db2.gz RJNKKJMRCWCIPR-UHFFFAOYSA-N -1 0 335.363 3.457 20 30 EGEDRM N#Cc1cccc([C@H](NC(=O)c2ccc(C(=O)[O-])cc2)C(F)(F)F)c1 ZINC001594626047 956314030 /nfs/dbraw/zinc/31/40/30/956314030.db2.gz RYUXZMCPAYTPNH-AWEZNQCLSA-N -1 0 348.280 3.290 20 30 EGEDRM N#Cc1cccc([C@@H](NC(=O)c2cccc(C(=O)[O-])c2)C(F)(F)F)c1 ZINC001594626337 956316443 /nfs/dbraw/zinc/31/64/43/956316443.db2.gz WQDQOHSYNHTBST-CQSZACIVSA-N -1 0 348.280 3.290 20 30 EGEDRM N#Cc1csc(CN2C[C@H](CCC(=O)[O-])Cc3ccccc32)n1 ZINC001594634582 956363126 /nfs/dbraw/zinc/36/31/26/956363126.db2.gz MMIRDVZJOPNZJT-GFCCVEGCSA-N -1 0 327.409 3.058 20 30 EGEDRM C[C@@H](S[C@@H](C)C(=O)[O-])C(=O)C=C1N(C)c2ccccc2C1(C)C ZINC001589168899 956449481 /nfs/dbraw/zinc/44/94/81/956449481.db2.gz TVEZUVLDTHTWOO-IPYCGELISA-N -1 0 333.453 3.462 20 30 EGEDRM C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC001589175114 956491241 /nfs/dbraw/zinc/49/12/41/956491241.db2.gz ZYMUQDDNBFQBED-XWCIJXRUSA-N -1 0 336.819 3.295 20 30 EGEDRM Cc1cc(C#N)cc(C)c1C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001594273889 957698678 /nfs/dbraw/zinc/69/86/78/957698678.db2.gz GVVKZTYDBSECDQ-AEGPPILISA-N -1 0 328.412 3.040 20 30 EGEDRM C[C@@H](NC(=O)N1CCCC[C@H]1CCC(=O)[O-])c1ccc(C#N)cc1 ZINC001341244067 957956220 /nfs/dbraw/zinc/95/62/20/957956220.db2.gz LBZCVLLMJGRTDS-CJNGLKHVSA-N -1 0 329.400 3.048 20 30 EGEDRM C#CCCOc1ccc(C(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC001588395267 958039689 /nfs/dbraw/zinc/03/96/89/958039689.db2.gz FBZCRVUBWDVWRK-OALUTQOASA-N -1 0 349.386 3.132 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC001588397680 958061907 /nfs/dbraw/zinc/06/19/07/958061907.db2.gz QNPXRUVAMWDJNL-SFHVURJKSA-N -1 0 341.794 3.018 20 30 EGEDRM C#CCN(C/C=C/c1ccc(OCc2ccccc2)cc1)CC(=O)[O-] ZINC001588432278 958277681 /nfs/dbraw/zinc/27/76/81/958277681.db2.gz IQIJJSVILPEIQE-RMKNXTFCSA-N -1 0 335.403 3.299 20 30 EGEDRM Cc1ccc(C#N)cc1NCc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1 ZINC001594342514 958304563 /nfs/dbraw/zinc/30/45/63/958304563.db2.gz BESWWKNTZUFPRA-OAHLLOKOSA-N -1 0 339.395 3.373 20 30 EGEDRM C=C[C@@](C)(CCOC)C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001588450934 958402007 /nfs/dbraw/zinc/40/20/07/958402007.db2.gz IDGRIOQWKICYMA-HNNXBMFYSA-N -1 0 329.755 3.345 20 30 EGEDRM C=CCOc1ccc(CN(C(=O)[C@@H]2CC[C@H]2C(=O)[O-])C(C)(C)C)cc1 ZINC001588466369 958512309 /nfs/dbraw/zinc/51/23/09/958512309.db2.gz MDRRUCYJBRYQLM-IAGOWNOFSA-N -1 0 345.439 3.489 20 30 EGEDRM C=CCOc1ccc(COC(=O)Cc2ccccc2C(=O)[O-])cc1 ZINC001588469433 958517253 /nfs/dbraw/zinc/51/72/53/958517253.db2.gz HHSBXHUJEJSNFU-UHFFFAOYSA-N -1 0 326.348 3.236 20 30 EGEDRM C=CCc1ccc(OC(=O)c2coc(/C=C\C(=O)[O-])c2)c(OC)c1 ZINC001573336645 958520462 /nfs/dbraw/zinc/52/04/62/958520462.db2.gz FKKNTGJQZBMSGN-VURMDHGXSA-N -1 0 328.320 3.334 20 30 EGEDRM C=CCOc1ccc(CC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])cc1 ZINC001573337133 958522277 /nfs/dbraw/zinc/52/22/77/958522277.db2.gz KLHBVGYJSLCZHV-MRXNPFEDSA-N -1 0 333.428 3.190 20 30 EGEDRM C=CCOCCCC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](C)C2 ZINC001573337949 958526540 /nfs/dbraw/zinc/52/65/40/958526540.db2.gz ZAGCFJVVLMBSQQ-NSHDSACASA-N -1 0 337.441 3.492 20 30 EGEDRM Cc1c2cc(C#N)ccc2sc1C(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC001594258972 959676228 /nfs/dbraw/zinc/67/62/28/959676228.db2.gz XYMVOLWEGFCGFE-CYBMUJFWSA-N -1 0 330.409 3.311 20 30 EGEDRM C=C(C)[C@@H](CC(=O)N1CCCC[C@H]1c1ccc(C(=O)[O-])n1C)OCC ZINC001123296677 960451919 /nfs/dbraw/zinc/45/19/19/960451919.db2.gz IYPFWSNKJKPAPQ-DOTOQJQBSA-N -1 0 348.443 3.148 20 30 EGEDRM N#CC[C@@H](CC(=O)Nc1nc2ccccn2c1C(=O)[O-])c1ccccc1 ZINC001574481021 961669464 /nfs/dbraw/zinc/66/94/64/961669464.db2.gz SVPMLVLNOOYDJH-AWEZNQCLSA-N -1 0 348.362 3.059 20 30 EGEDRM N#Cc1cc(NC(=O)C2(CC(=O)[O-])CCC2)ccc1OC(F)(F)F ZINC001574485945 961679757 /nfs/dbraw/zinc/67/97/57/961679757.db2.gz NQOLKMHZXREPIE-UHFFFAOYSA-N -1 0 342.273 3.040 20 30 EGEDRM N#CC1(C(=O)N2CCC(Cc3ccccc3C(=O)[O-])CC2)CCCC1 ZINC000263102851 962254688 /nfs/dbraw/zinc/25/46/88/962254688.db2.gz UGZQMJSZWCIISG-UHFFFAOYSA-N -1 0 340.423 3.250 20 30 EGEDRM C#CCOc1ccc(C(=O)N2CCCCc3cc(C(=O)[O-])ccc32)cc1 ZINC001573311652 962709188 /nfs/dbraw/zinc/70/91/88/962709188.db2.gz VYJYEMPSMAONMR-UHFFFAOYSA-N -1 0 349.386 3.380 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)c1ccc(OC)cc1OCCCC)C(=O)[O-] ZINC001573324165 962781071 /nfs/dbraw/zinc/78/10/71/962781071.db2.gz NSCXJMGXFJSFTH-OAHLLOKOSA-N -1 0 335.400 3.023 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N(CCC)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC001573326472 962805457 /nfs/dbraw/zinc/80/54/57/962805457.db2.gz XAIHUAZEFGHMHG-HZPDHXFCSA-N -1 0 337.460 3.384 20 30 EGEDRM C=C1CCC(C(=O)NCc2ccccc2-c2cc(C(=O)[O-])n[nH]2)CC1 ZINC001573344054 962910958 /nfs/dbraw/zinc/91/09/58/962910958.db2.gz MXLSNJRGBMXNQQ-UHFFFAOYSA-N -1 0 339.395 3.138 20 30 EGEDRM C=C[C@@H](CC(=O)NCc1ccc(Cl)c(C(=O)[O-])n1)c1ccccc1 ZINC001573348342 962957118 /nfs/dbraw/zinc/95/71/18/962957118.db2.gz VEQHJAHVWBBJON-LBPRGKRZSA-N -1 0 344.798 3.409 20 30 EGEDRM C=CCNc1ncc(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)s1 ZINC001573368571 963082759 /nfs/dbraw/zinc/08/27/59/963082759.db2.gz OGZYPBSRENMPKT-UHFFFAOYSA-N -1 0 337.788 3.345 20 30 EGEDRM C[C@H]1CCN(c2ccc(C#N)c(Br)c2F)C[C@H]1C(=O)[O-] ZINC000693446539 968933956 /nfs/dbraw/zinc/93/39/56/968933956.db2.gz MTAJEORERAHCPR-WCBMZHEXSA-N -1 0 341.180 3.007 20 30 EGEDRM C=CCCCCCCNS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000320544060 970676625 /nfs/dbraw/zinc/67/66/25/970676625.db2.gz OZRDOKHNOFMWGG-UHFFFAOYSA-N -1 0 325.430 3.108 20 30 EGEDRM N#CCCCn1cc(C(=O)NC2(C(=O)[O-])CCCC2)c2ccccc21 ZINC001610621336 970757479 /nfs/dbraw/zinc/75/74/79/970757479.db2.gz DINQJNXFPYAYGG-UHFFFAOYSA-N -1 0 339.395 3.072 20 30 EGEDRM CC1(C(=O)[O-])CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 ZINC001603301333 972576399 /nfs/dbraw/zinc/57/63/99/972576399.db2.gz NPUGCEVJAYQTLP-UHFFFAOYSA-N -1 0 347.414 3.413 20 30 EGEDRM C[C@@H]1CN(C(=O)Nc2ccc(C#N)cc2C2CC2)CC[C@@H]1C(=O)[O-] ZINC001603450086 973245610 /nfs/dbraw/zinc/24/56/10/973245610.db2.gz MJCHPCFESHMUQM-RISCZKNCSA-N -1 0 327.384 3.010 20 30 EGEDRM CC[C@@H](CNC(=O)Nc1ccccc1SC[C@H](C)C#N)C(=O)[O-] ZINC001603565943 973689217 /nfs/dbraw/zinc/68/92/17/973689217.db2.gz QMNZVABKAOUQLH-NEPJUHHUSA-N -1 0 335.429 3.171 20 30 EGEDRM N#Cc1cc(Cl)ccc1CN1CCc2ccccc2[C@H]1C(=O)[O-] ZINC001605592142 973895259 /nfs/dbraw/zinc/89/52/59/973895259.db2.gz XPWMHUSMCSBSPJ-KRWDZBQOSA-N -1 0 326.783 3.396 20 30 EGEDRM CC(C)Oc1c(NC(=O)N(C)CC(C)(C)C#N)cccc1C(=O)[O-] ZINC001591742093 975759254 /nfs/dbraw/zinc/75/92/54/975759254.db2.gz UUWFOVNLQOVYQY-UHFFFAOYSA-N -1 0 333.388 3.185 20 30 EGEDRM C[C@@H](CC#N)n1nc(C(=O)[O-])cc1-c1ccccc1Br ZINC001592225533 977409495 /nfs/dbraw/zinc/40/94/95/977409495.db2.gz AFPRQTCOASVZLM-VIFPVBQESA-N -1 0 334.173 3.485 20 30 EGEDRM N#Cc1cc(F)c(NC2CC(CC(=O)[O-])C2)cc1Br ZINC000718044809 977933611 /nfs/dbraw/zinc/93/36/11/977933611.db2.gz WTKUZQCYWIVEAR-UHFFFAOYSA-N -1 0 327.153 3.125 20 30 EGEDRM C[C@@H](CCCC#C[Si](C)(C)C)OC(=O)c1cc(C(=O)[O-])ccn1 ZINC001592476699 978237158 /nfs/dbraw/zinc/23/71/58/978237158.db2.gz BQBXWCFXHKUDLL-ZDUSSCGKSA-N -1 0 333.460 3.376 20 30 EGEDRM C[C@H](C#N)Oc1ccccc1NC(=O)CC1(CC(=O)[O-])CCCC1 ZINC000779705053 978784015 /nfs/dbraw/zinc/78/40/15/978784015.db2.gz YMSFOODRKZSEMT-CYBMUJFWSA-N -1 0 330.384 3.341 20 30 EGEDRM Cc1cccc(C)c1NC(=S)NN=C1CC[C@H](CC(=O)[O-])[C@@H]1C ZINC000814706937 978875279 /nfs/dbraw/zinc/87/52/79/978875279.db2.gz HGUZHDFCEZVMDU-QWHCGFSZSA-N -1 0 333.457 3.467 20 30 EGEDRM CC(=NNc1ccc(CC(=O)[O-])cc1)c1cnn(C(C)(C)C)c1C ZINC000848415185 979468610 /nfs/dbraw/zinc/46/86/10/979468610.db2.gz YHLQSPUTWOFAQL-UHFFFAOYSA-N -1 0 328.416 3.410 20 30 EGEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCCc2ccc(C(=O)[O-])cc21 ZINC001592834665 979578443 /nfs/dbraw/zinc/57/84/43/979578443.db2.gz UGULCMVFPSOQHU-CQSZACIVSA-N -1 0 348.402 3.414 20 30 EGEDRM C=CCn1ncc2ccc(NC(=O)NC[C@@H](CC(C)C)C(=O)[O-])cc21 ZINC000899317074 980227581 /nfs/dbraw/zinc/22/75/81/980227581.db2.gz JBZARKIWWWMYLM-CQSZACIVSA-N -1 0 344.415 3.091 20 30 EGEDRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1ccc(C#N)cc1F ZINC001595360767 980755165 /nfs/dbraw/zinc/75/51/65/980755165.db2.gz ORIIWEGUBUNCPP-KRWDZBQOSA-N -1 0 340.354 3.375 20 30 EGEDRM C=CCN(CC=C)C(=O)c1ccc(NCCC(C)(C)C(=O)[O-])cc1 ZINC000902151939 980759417 /nfs/dbraw/zinc/75/94/17/980759417.db2.gz IAWDFBCRPUSDPV-UHFFFAOYSA-N -1 0 330.428 3.414 20 30 EGEDRM CCC1CC(=O)C(=CNc2sc3c(c2C(=O)[O-])CCC3)C(=O)C1 ZINC001595407985 980995261 /nfs/dbraw/zinc/99/52/61/980995261.db2.gz KJCVZABWWROUSN-UHFFFAOYSA-N -1 0 333.409 3.189 20 30 EGEDRM O=C([O-])[C@@H](NCC(F)(F)C(F)F)c1cccc(C(F)(F)F)c1 ZINC000905403097 981118286 /nfs/dbraw/zinc/11/82/86/981118286.db2.gz KECIVQBTOYMFKQ-QMMMGPOBSA-N -1 0 333.203 3.321 20 30 EGEDRM C=CC1(CC(=O)N[C@@](C)(CC(=O)[O-])c2ccccn2)CCCCC1 ZINC000907841583 981230767 /nfs/dbraw/zinc/23/07/67/981230767.db2.gz JSVYBXKMDPDBNG-SFHVURJKSA-N -1 0 330.428 3.414 20 30 EGEDRM C#CCCCC(=O)N[C@@H](CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000908856799 981378891 /nfs/dbraw/zinc/37/88/91/981378891.db2.gz RCGATSNOACYMNJ-ZDUSSCGKSA-N -1 0 343.301 3.021 20 30 EGEDRM CCCC[C@H](ON=C(C)C)C(=O)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC001595652638 982035513 /nfs/dbraw/zinc/03/55/13/982035513.db2.gz VWKGMMIUKOHYNU-KRWDZBQOSA-N -1 0 346.427 3.241 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1cc(F)ccc1Br)C(=O)[O-] ZINC000910914245 982161619 /nfs/dbraw/zinc/16/16/19/982161619.db2.gz DXQFHZSGEPDHCI-GFCCVEGCSA-N -1 0 344.180 3.128 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1c(C)onc1-c1ccc(F)cc1)C(=O)[O-] ZINC000910915370 982162473 /nfs/dbraw/zinc/16/24/73/982162473.db2.gz YJKHDWAAOCIJHL-CQSZACIVSA-N -1 0 346.358 3.328 20 30 EGEDRM CCCCCCCCNS(=O)(=O)c1ccc(Cl)nc1C(=O)[O-] ZINC001595704667 982277987 /nfs/dbraw/zinc/27/79/87/982277987.db2.gz VGJBHJMENAIWPQ-UHFFFAOYSA-N -1 0 348.852 3.072 20 30 EGEDRM CCCCCCCCOCC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001595704825 982280151 /nfs/dbraw/zinc/28/01/51/982280151.db2.gz ZGBSQEUTRRNXDQ-VQIMIIECSA-N -1 0 339.476 3.467 20 30 EGEDRM CCCCCCCS(=O)(=O)N1CCc2ccc(C(=O)[O-])cc21 ZINC001595708993 982288941 /nfs/dbraw/zinc/28/89/41/982288941.db2.gz PLTZKBSRKBKXTN-UHFFFAOYSA-N -1 0 325.430 3.048 20 30 EGEDRM C=C1CC(C)(C(=O)N2CCC(Nc3cccc(C(=O)[O-])c3)CC2)C1 ZINC000911597279 982528829 /nfs/dbraw/zinc/52/88/29/982528829.db2.gz FEXCOLQMBFATBO-UHFFFAOYSA-N -1 0 328.412 3.144 20 30 EGEDRM Cc1cc(C)c2c(c1)C(=O)/C(=C/c1ccc(OCC(=O)[O-])cc1)CO2 ZINC000920069240 982691519 /nfs/dbraw/zinc/69/15/19/982691519.db2.gz KVZNBYCKKGWTDE-OQLLNIDSSA-N -1 0 338.359 3.426 20 30 EGEDRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1sc2ccc(C#N)cc2c1C ZINC001594978209 982759336 /nfs/dbraw/zinc/75/93/36/982759336.db2.gz LSEVZEDRFLAUQR-SNVBAGLBSA-N -1 0 330.409 3.407 20 30 EGEDRM CCCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(CC(=O)[O-])c1 ZINC001595886086 982913962 /nfs/dbraw/zinc/91/39/62/982913962.db2.gz WPGTVPMPOCJWJX-UHFFFAOYSA-N -1 0 336.391 3.238 20 30 EGEDRM CCCOc1ccc(C(=O)/C=C\c2c(C)n(C)nc2C(=O)[O-])cc1 ZINC001595952241 983127624 /nfs/dbraw/zinc/12/76/24/983127624.db2.gz DFYXPMWPUHIKIB-KTKRTIGZSA-N -1 0 328.368 3.112 20 30 EGEDRM C#C[C@@H]1CCCCN1C(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC001588383039 983376543 /nfs/dbraw/zinc/37/65/43/983376543.db2.gz XDSDAMDNXTVDMQ-CQSZACIVSA-N -1 0 332.425 3.273 20 30 EGEDRM C#CCC1(NC(=O)Nc2ccc(C(=O)[O-])c(OC)c2)CCCCC1 ZINC001588427961 983458905 /nfs/dbraw/zinc/45/89/05/983458905.db2.gz SXNVBXSOFWIIMU-UHFFFAOYSA-N -1 0 330.384 3.241 20 30 EGEDRM C#CCC1(NC(=O)Nc2cccc(C(=O)[O-])c2OC)CCCCC1 ZINC001588428040 983459682 /nfs/dbraw/zinc/45/96/82/983459682.db2.gz YMCAZAAKLLWRSV-UHFFFAOYSA-N -1 0 330.384 3.241 20 30 EGEDRM C#CCN(C(=O)CC(C)(C)CC(=O)[O-])[C@@H]1CCCc2ccccc21 ZINC001588460216 983487129 /nfs/dbraw/zinc/48/71/29/983487129.db2.gz VBLIJLMVNIBNRH-QGZVFWFLSA-N -1 0 327.424 3.417 20 30 EGEDRM C#CCOc1cccc([C@@H](C)OC(=O)Cc2cccc(C(=O)[O-])c2)c1 ZINC001588497775 983541054 /nfs/dbraw/zinc/54/10/54/983541054.db2.gz AIDZWYJGLVZYQI-CQSZACIVSA-N -1 0 338.359 3.244 20 30 EGEDRM C#CCOc1cccc(NC(=O)NC[C@H](C(=O)[O-])C2CCCCC2)c1 ZINC001588504061 983546162 /nfs/dbraw/zinc/54/61/62/983546162.db2.gz GMZOZEIOPJNZGR-KRWDZBQOSA-N -1 0 344.411 3.101 20 30 EGEDRM C=C(C)C[C@H](NC(=O)c1cc(Cl)ccc1Br)C(=O)[O-] ZINC001588544079 983613068 /nfs/dbraw/zinc/61/30/68/983613068.db2.gz UBEBQTOUVDLGKO-NSHDSACASA-N -1 0 346.608 3.252 20 30 EGEDRM C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC001588546755 983616665 /nfs/dbraw/zinc/61/66/65/983616665.db2.gz CFJBAHHFJWCQCL-CYBMUJFWSA-N -1 0 346.408 3.009 20 30 EGEDRM C=C(C)C[C@H](NC(=O)c1nc(-c2ccccc2)oc1C1CC1)C(=O)[O-] ZINC001588547839 983621961 /nfs/dbraw/zinc/62/19/61/983621961.db2.gz IBOZKGIQJMPKCD-AWEZNQCLSA-N -1 0 340.379 3.368 20 30 EGEDRM C=C(C)CN(CC)C(=O)NCc1ccc(OCCCC(=O)[O-])cc1 ZINC001588562826 983643685 /nfs/dbraw/zinc/64/36/85/983643685.db2.gz IGJCXPJAQRTTFI-UHFFFAOYSA-N -1 0 334.416 3.038 20 30 EGEDRM C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1cc(C(=O)[O-])c(C)[nH]1 ZINC001588567833 983647927 /nfs/dbraw/zinc/64/79/27/983647927.db2.gz TXUVAMBANSFECK-UHFFFAOYSA-N -1 0 330.432 3.377 20 30 EGEDRM C=C(C)COCCNC(=O)Nc1cccc2cc(C(=O)[O-])sc21 ZINC001588569385 983648868 /nfs/dbraw/zinc/64/88/68/983648868.db2.gz ADTJOPKNCIUZFP-UHFFFAOYSA-N -1 0 334.397 3.314 20 30 EGEDRM C=C(C)Cn1c(N2CCC[C@@H](CCC(=O)[O-])C2)nnc1C(C)(C)C ZINC001588599387 983689882 /nfs/dbraw/zinc/68/98/82/983689882.db2.gz ZJQAJFDKKFUJEH-AWEZNQCLSA-N -1 0 334.464 3.233 20 30 EGEDRM C=C(C)Cn1c(N2CCC[C@H](CCC(=O)[O-])C2)nnc1C(C)(C)C ZINC001588599390 983689887 /nfs/dbraw/zinc/68/98/87/983689887.db2.gz ZJQAJFDKKFUJEH-CQSZACIVSA-N -1 0 334.464 3.233 20 30 EGEDRM C=C(CC(C)C)C(=O)N[C@@H](C(=O)[O-])c1ccc(Br)cc1 ZINC001588605159 983690964 /nfs/dbraw/zinc/69/09/64/983690964.db2.gz ASEJXEJOOXRRMW-CYBMUJFWSA-N -1 0 340.217 3.293 20 30 EGEDRM C=C[C@H](CC(=O)NC[C@H](C(=O)[O-])c1ccc(F)cc1)c1ccccc1 ZINC001588690485 983874500 /nfs/dbraw/zinc/87/45/00/983874500.db2.gz AGWYMTQYGQPXLK-KDOFPFPSSA-N -1 0 341.382 3.470 20 30 EGEDRM C=CCC1(NC(=O)Nc2ccc(C(=O)[O-])c(C(=O)OC)c2)CCCC1 ZINC001588767147 984128239 /nfs/dbraw/zinc/12/82/39/984128239.db2.gz LQBCLDZVZTUWHX-UHFFFAOYSA-N -1 0 346.383 3.182 20 30 EGEDRM C=CC[C@H]1CCCC[C@H]1NC(=O)NCCc1ccccc1C(=O)[O-] ZINC001588771512 984140198 /nfs/dbraw/zinc/14/01/98/984140198.db2.gz WTCSRFRVWALFOP-DOTOQJQBSA-N -1 0 330.428 3.361 20 30 EGEDRM C=CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC001588771694 984140846 /nfs/dbraw/zinc/14/08/46/984140846.db2.gz YBGBGQJJJVBHAK-HIFRSBDPSA-N -1 0 337.441 3.106 20 30 EGEDRM C=CCCCC(=O)N(C)[C@H](C(=O)[O-])c1ccc(Br)s1 ZINC001588782020 984169882 /nfs/dbraw/zinc/16/98/82/984169882.db2.gz NDOPRTFCLYOISK-LBPRGKRZSA-N -1 0 346.246 3.451 20 30 EGEDRM C=CCCCC(=O)N(C)[C@@H](C(=O)[O-])c1ccc(Br)s1 ZINC001588782019 984169927 /nfs/dbraw/zinc/16/99/27/984169927.db2.gz NDOPRTFCLYOISK-GFCCVEGCSA-N -1 0 346.246 3.451 20 30 EGEDRM C=CCCC1(CNC(=O)Nc2nc(CC(=O)[O-])cs2)CCCC1 ZINC001588782453 984172254 /nfs/dbraw/zinc/17/22/54/984172254.db2.gz UZCWYYCGCOTWCX-UHFFFAOYSA-N -1 0 337.445 3.418 20 30 EGEDRM C=CCCC[C@H](C)NC(=O)N1CCC(c2cc(C(=O)[O-])on2)CC1 ZINC001588782611 984173490 /nfs/dbraw/zinc/17/34/90/984173490.db2.gz KOXDPMJBRVJREK-LBPRGKRZSA-N -1 0 335.404 3.007 20 30 EGEDRM C=CCCC[C@H](NC(=O)C(F)(F)c1ccc(Cl)cc1)C(=O)[O-] ZINC001588784927 984178208 /nfs/dbraw/zinc/17/82/08/984178208.db2.gz DHSSAZWJGFBMAT-LBPRGKRZSA-N -1 0 331.746 3.358 20 30 EGEDRM C=CCCC[C@H](NC(=O)COc1ccc2ccccc2c1)C(=O)[O-] ZINC001588788591 984191069 /nfs/dbraw/zinc/19/10/69/984191069.db2.gz HXQVPZZMYVNHLL-KRWDZBQOSA-N -1 0 327.380 3.144 20 30 EGEDRM C=CCCC[C@@H](NC(=O)Cc1cccc(Cl)c1Cl)C(=O)[O-] ZINC001588788603 984191764 /nfs/dbraw/zinc/19/17/64/984191764.db2.gz IENCGNXAXDHXIW-GFCCVEGCSA-N -1 0 330.211 3.462 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1c[nH]cc1-c1ccccc1F)C(=O)[O-] ZINC001588794067 984224184 /nfs/dbraw/zinc/22/41/84/984224184.db2.gz KNDOMQZIGZZKIW-MRXNPFEDSA-N -1 0 330.359 3.360 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1ncsc1Nc1ccccc1)C(=O)[O-] ZINC001588797307 984229544 /nfs/dbraw/zinc/22/95/44/984229544.db2.gz BZDASKCRMZGLSJ-ZDUSSCGKSA-N -1 0 345.424 3.426 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1cnn(-c2ccccc2C)c1C)C(=O)[O-] ZINC001588798272 984234923 /nfs/dbraw/zinc/23/49/23/984234923.db2.gz ZGTDKMWGOUUYQG-INIZCTEOSA-N -1 0 341.411 3.028 20 30 EGEDRM C=CCCCCCCNC(=O)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001588798802 984238704 /nfs/dbraw/zinc/23/87/04/984238704.db2.gz RIPRUEYSBIGHOI-LLVKDONJSA-N -1 0 325.434 3.338 20 30 EGEDRM C=CCCO[C@@H](C)C(=O)Nc1nc(C2CCCC2)c(C(=O)[O-])s1 ZINC001588809064 984265290 /nfs/dbraw/zinc/26/52/90/984265290.db2.gz XXYPCWIXDVPKHI-JTQLQIEISA-N -1 0 338.429 3.419 20 30 EGEDRM C=CCCSCCNC(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001588814716 984272912 /nfs/dbraw/zinc/27/29/12/984272912.db2.gz NBBQMCXUKQGWGM-UHFFFAOYSA-N -1 0 333.413 3.297 20 30 EGEDRM C=CCN(Cc1ccccc1F)C(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC001588831674 984315512 /nfs/dbraw/zinc/31/55/12/984315512.db2.gz IAQBAPGJAUZXCC-FPLPWBNLSA-N -1 0 329.327 3.345 20 30 EGEDRM C=CCN(Cc1cccc(C#N)c1)C(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC001588832296 984320916 /nfs/dbraw/zinc/32/09/16/984320916.db2.gz AYGCXRUSZRUZEU-SREVYHEPSA-N -1 0 336.347 3.077 20 30 EGEDRM C=CCN(Cc1cccc(C#N)c1)[C@H](C(=O)[O-])c1cccc(OC)c1 ZINC001588832371 984321648 /nfs/dbraw/zinc/32/16/48/984321648.db2.gz GOWDDBFXDJLKCN-IBGZPJMESA-N -1 0 336.391 3.381 20 30 EGEDRM C=CCN1C(=O)N[C@@H](c2cscc2C(F)(F)F)C(C(=O)[O-])=C1C ZINC001588836551 984328292 /nfs/dbraw/zinc/32/82/92/984328292.db2.gz AYLFHVHHNPMRRG-NSHDSACASA-N -1 0 346.330 3.378 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)C[C@@H](C)[C@@H]1CCCO1 ZINC001588882413 984462988 /nfs/dbraw/zinc/46/29/88/984462988.db2.gz RVWCNLIJYMVTAP-DOMZBBRYSA-N -1 0 348.395 3.233 20 30 EGEDRM C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC001588914210 984557549 /nfs/dbraw/zinc/55/75/49/984557549.db2.gz QKQRDENWNVSPRN-SJORKVTESA-N -1 0 340.379 3.393 20 30 EGEDRM C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC001588917192 984565066 /nfs/dbraw/zinc/56/50/66/984565066.db2.gz OWKJVUYCKWNXTQ-CVEARBPZSA-N -1 0 344.436 3.332 20 30 EGEDRM CCOC(=O)Nc1ccc(N[C@@H]2C[C@@H]3C[C@H](C(=O)[O-])C[C@H]23)cc1C#N ZINC001596667534 984734381 /nfs/dbraw/zinc/73/43/81/984734381.db2.gz YCNOZLGTFWXYLJ-KFYUAXIPSA-N -1 0 343.383 3.038 20 30 EGEDRM CCOC(=O)c1ccc(NN=Cc2cccn2[C@@H](C)C(=O)[O-])cc1C ZINC001596724830 984980037 /nfs/dbraw/zinc/98/00/37/984980037.db2.gz YJODKCHGGPYWBE-ZDUSSCGKSA-N -1 0 343.383 3.065 20 30 EGEDRM CC(=NOCCOc1cccc(C)c1)c1ccc(OCC(=O)[O-])cc1 ZINC001589021186 985011562 /nfs/dbraw/zinc/01/15/62/985011562.db2.gz NABFJUSBKSLYOB-UHFFFAOYSA-N -1 0 343.379 3.278 20 30 EGEDRM Cc1[nH]c2ccccc2c1CC(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001599965304 985892173 /nfs/dbraw/zinc/89/21/73/985892173.db2.gz GXIAXOXYICJFOP-LJQANCHMSA-N -1 0 348.358 3.260 20 30 EGEDRM CC(=O)c1cc(C(=O)OCc2cccc(C(=O)[O-])c2C#N)ccc1C ZINC001589267634 985948063 /nfs/dbraw/zinc/94/80/63/985948063.db2.gz GHOJRUFUJGVOAQ-UHFFFAOYSA-N -1 0 337.331 3.125 20 30 EGEDRM Cc1c(C(=O)[O-])cc(CN=Nc2ncnc3c4ccccc4oc32)n1C ZINC001599984537 986211161 /nfs/dbraw/zinc/21/11/61/986211161.db2.gz PCLBXLUPIXUMHM-UHFFFAOYSA-N -1 0 349.350 3.167 20 30 EGEDRM C[C@H](C(=O)[O-])c1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)cc1 ZINC001589512324 987149069 /nfs/dbraw/zinc/14/90/69/987149069.db2.gz QGJLGMRZBSUSGA-UYHISHBKSA-N -1 0 334.375 3.489 20 30 EGEDRM CCC(C#N)(CC)C(=O)NCCc1cc2ccc(C(=O)[O-])cc2o1 ZINC001594722441 987212682 /nfs/dbraw/zinc/21/26/82/987212682.db2.gz PPGVJSVVZNBYQP-UHFFFAOYSA-N -1 0 328.368 3.120 20 30 EGEDRM CC(C)(C#N)c1ccc(C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)cc1 ZINC001589557941 987307669 /nfs/dbraw/zinc/30/76/69/987307669.db2.gz JERMKBXUBIETPJ-OXQOHEQNSA-N -1 0 340.423 3.205 20 30 EGEDRM CC(C)(C(=O)[O-])[C@H](NC(=O)CC#Cc1ccccc1)c1ccccc1 ZINC001589590726 987393604 /nfs/dbraw/zinc/39/36/04/987393604.db2.gz DAMUVJICDXDFRD-LJQANCHMSA-N -1 0 335.403 3.397 20 30 EGEDRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)Nc1ccc(C2CC2)c(C#N)c1 ZINC001589702346 987798466 /nfs/dbraw/zinc/79/84/66/987798466.db2.gz CXMNAIPQXIKUJP-HNNXBMFYSA-N -1 0 329.400 3.447 20 30 EGEDRM C[C@@H](CC(=O)[O-])NC(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC001599832288 988692043 /nfs/dbraw/zinc/69/20/43/988692043.db2.gz DPYUZVLUMXWERX-LBPRGKRZSA-N -1 0 328.393 3.133 20 30 EGEDRM C[C@@H](CC(=O)[O-])OC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC001599834516 988721862 /nfs/dbraw/zinc/72/18/62/988721862.db2.gz BTCDJZRTELSICL-ZDUSSCGKSA-N -1 0 339.347 3.157 20 30 EGEDRM CC(C)COC[C@@H](N[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccco1 ZINC001591391401 992452919 /nfs/dbraw/zinc/45/29/19/992452919.db2.gz ZJIDNLLTFAZTMY-SJLPKXTDSA-N -1 0 342.395 3.280 20 30 EGEDRM CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001598509385 992550604 /nfs/dbraw/zinc/55/06/04/992550604.db2.gz VXOBPQRWOAQWMD-ZWKOTPCHSA-N -1 0 349.390 3.410 20 30 EGEDRM CN(Cc1ccc(OCC(=O)[O-])cc1)c1cc(Cl)ccc1C#N ZINC001598523876 992694578 /nfs/dbraw/zinc/69/45/78/992694578.db2.gz JVFDVSAZHBDDMQ-UHFFFAOYSA-N -1 0 330.771 3.311 20 30 EGEDRM CC(C)NC(=O)Nc1ccc(C(=O)/C=C\c2cc(C(=O)[O-])co2)cc1 ZINC001591652418 992972990 /nfs/dbraw/zinc/97/29/90/992972990.db2.gz HWELOBZZOCGOCD-FPLPWBNLSA-N -1 0 342.351 3.404 20 30 EGEDRM COc1ccc2ccccc2c1CCNc1ccc(C(=O)[O-])nc1C#N ZINC001599634741 994269553 /nfs/dbraw/zinc/26/95/53/994269553.db2.gz DPMKYKKTWWCEOE-UHFFFAOYSA-N -1 0 347.374 3.468 20 30 EGEDRM COc1cccc([C@@H](C(=O)[O-])N2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC001599650176 994486377 /nfs/dbraw/zinc/48/63/77/994486377.db2.gz LIIXCNUWZSHHFI-FQEVSTJZSA-N -1 0 348.402 3.482 20 30 EGEDRM C[C@@H](OC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)c1cc(C(=O)[O-])co1 ZINC001593548624 995629107 /nfs/dbraw/zinc/62/91/07/995629107.db2.gz ZLPWFSVKLVUHAX-WKPIXPDZSA-N -1 0 325.320 3.257 20 30 EGEDRM C[C@@H](Sc1ccc(C#N)cc1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001593664392 996051388 /nfs/dbraw/zinc/05/13/88/996051388.db2.gz QFKYYLHIMZDFLS-GFCCVEGCSA-N -1 0 340.404 3.053 20 30 EGEDRM C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001593698627 996165796 /nfs/dbraw/zinc/16/57/96/996165796.db2.gz LXXKXZPIDJHQKG-CQSZACIVSA-N -1 0 343.427 3.296 20 30 EGEDRM C[C@]1(C(=O)[O-])CCCN(C(=O)N[C@H](CCCC#N)c2ccccc2)C1 ZINC001593767370 996449658 /nfs/dbraw/zinc/44/96/58/996449658.db2.gz BANLRHWETJHJTF-APWZRJJASA-N -1 0 343.427 3.318 20 30 EGEDRM CC1(C)CCc2sc(NC(=O)c3csc(C(=O)[O-])n3)c(C#N)c21 ZINC001593924355 996846410 /nfs/dbraw/zinc/84/64/10/996846410.db2.gz FLBJNXCYVOPZNT-UHFFFAOYSA-N -1 0 347.421 3.251 20 30 EGEDRM COCc1cc(NC(=O)c2c[nH]c3cccc(C#N)c23)cc(C(=O)[O-])c1 ZINC001599288949 997028757 /nfs/dbraw/zinc/02/87/57/997028757.db2.gz PFAIHTGYCLDFDE-UHFFFAOYSA-N -1 0 349.346 3.136 20 30 EGEDRM CON=Cc1ccc(C(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)cc1 ZINC001599321086 997582586 /nfs/dbraw/zinc/58/25/86/997582586.db2.gz UPRNSNNYWRQMLM-UHFFFAOYSA-N -1 0 337.335 3.099 20 30 EGEDRM CC1=C(C(=O)[O-])[C@@H](c2ccc(C#N)cc2)NC(=O)N1Cc1ccccc1 ZINC001594095449 998067144 /nfs/dbraw/zinc/06/71/44/998067144.db2.gz PRRFLDOWZRGAKY-GOSISDBHSA-N -1 0 347.374 3.183 20 30 EGEDRM COc1cc(OC)cc([C@@H](Nc2ccc(CCC#N)cc2)C(=O)[O-])c1 ZINC001599452995 998138526 /nfs/dbraw/zinc/13/85/26/998138526.db2.gz JMIYAVMBHMGOPF-GOSISDBHSA-N -1 0 340.379 3.398 20 30 EGEDRM COc1cc(OCc2ccc(C#N)cc2OC(F)F)ccc1C(=O)[O-] ZINC001599456627 998199202 /nfs/dbraw/zinc/19/92/02/998199202.db2.gz GXSGMUIXBYJNDM-UHFFFAOYSA-N -1 0 349.289 3.445 20 30 EGEDRM Cc1ccc(-c2cccnc2)cc1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000377112580 168984727 /nfs/dbraw/zinc/98/47/27/168984727.db2.gz LAITUJXZWLWVKK-UHFFFAOYSA-N -1 0 339.376 3.323 20 30 EGEDRM CCN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)[C@H](C)c1ccc(C#N)cc1 ZINC000173826469 144049282 /nfs/dbraw/zinc/04/92/82/144049282.db2.gz HSJFRGRTXSMGKS-GFCCVEGCSA-N -1 0 339.351 3.395 20 30 EGEDRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2n[nH]c(C)c2C#N)cc1 ZINC000351691743 144291113 /nfs/dbraw/zinc/29/11/13/144291113.db2.gz IDOHQCZUSQVCGF-UHFFFAOYSA-N -1 0 332.429 3.078 20 30 EGEDRM Cc1[nH]nc([N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)c1C#N ZINC000351698102 144291958 /nfs/dbraw/zinc/29/19/58/144291958.db2.gz VDRWPPUUESQWIL-UHFFFAOYSA-N -1 0 346.799 3.197 20 30 EGEDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2)c1C ZINC000308075581 154136491 /nfs/dbraw/zinc/13/64/91/154136491.db2.gz DEJNJISNMYIVFD-UHFFFAOYSA-N -1 0 349.343 3.023 20 30 EGEDRM Cc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1cncc(C#N)c1 ZINC000336876161 154225623 /nfs/dbraw/zinc/22/56/23/154225623.db2.gz QBRVBOGULYKXCG-UHFFFAOYSA-N -1 0 341.314 3.081 20 30 EGEDRM CCN(CCc1cccs1)C(=O)c1cc(C#N)c(SC)[n-]c1=O ZINC000354361262 166009575 /nfs/dbraw/zinc/00/95/75/166009575.db2.gz NVAOCDQBHLBZKE-UHFFFAOYSA-N -1 0 347.465 3.147 20 30 EGEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1ccc(Oc2ccccc2)nc1 ZINC000359720623 167214336 /nfs/dbraw/zinc/21/43/36/167214336.db2.gz WFJSPBCQBXKCKT-UHFFFAOYSA-N -1 0 345.362 3.020 20 30 EGEDRM N#Cc1ccnc([N-]c2cnn(-c3ccc(Cl)cc3)c2)c1[N+](=O)[O-] ZINC000302468222 270044868 /nfs/dbraw/zinc/04/48/68/270044868.db2.gz WCVMIZWRAXDXJG-UHFFFAOYSA-N -1 0 340.730 3.444 20 30 EGEDRM Cc1ccc(-c2[n-][nH]c(=NC(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)c2C)o1 ZINC000412194230 270046803 /nfs/dbraw/zinc/04/68/03/270046803.db2.gz GVQMOFBKXKUPKM-JKSUJKDBSA-N -1 0 346.390 3.322 20 30 EGEDRM CCc1n[n-]c(=NC(=O)c2sc3ccc(C#N)cc3c2C)s1 ZINC000431401798 270049995 /nfs/dbraw/zinc/04/99/95/270049995.db2.gz OZUOQRPDXTZVKG-UHFFFAOYSA-N -1 0 328.422 3.170 20 30 EGEDRM C[S@](=O)Cc1cc(NC(=O)c2ccc(C#N)c([O-])c2)ccc1Cl ZINC000188510579 265685070 /nfs/dbraw/zinc/68/50/70/265685070.db2.gz PGZNCQJZYUQVND-QHCPKHFHSA-N -1 0 348.811 3.048 20 30 EGEDRM CCC1(CC)Oc2ccc([N-]S(=O)(=O)c3ccc(C#N)o3)cc2O1 ZINC000288192340 266011204 /nfs/dbraw/zinc/01/12/04/266011204.db2.gz JYVWZXMTOZLOMJ-UHFFFAOYSA-N -1 0 348.380 3.240 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)s1 ZINC000230333068 266204081 /nfs/dbraw/zinc/20/40/81/266204081.db2.gz LXGUCAQPWBLKEM-UHFFFAOYSA-N -1 0 332.328 3.439 20 30 EGEDRM CCOc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2OC)cc1C ZINC000523300715 267171299 /nfs/dbraw/zinc/17/12/99/267171299.db2.gz FRRYOUKTEXNEQW-UHFFFAOYSA-N -1 0 346.408 3.075 20 30 EGEDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cccc(C#N)c2C)cc1C ZINC000179027096 267365858 /nfs/dbraw/zinc/36/58/58/267365858.db2.gz WVSWHTAMDKJECG-UHFFFAOYSA-N -1 0 345.380 3.193 20 30 EGEDRM Cc1ccc(NC(=O)C2CC2)cc1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000188310245 267429219 /nfs/dbraw/zinc/42/92/19/267429219.db2.gz IMCVDGGWBGSLSJ-UHFFFAOYSA-N -1 0 335.363 3.173 20 30 EGEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ncc(C(C)(C)C)s1 ZINC000437330531 268031435 /nfs/dbraw/zinc/03/14/35/268031435.db2.gz YTAQUGOCJUDKNT-UHFFFAOYSA-N -1 0 335.454 3.422 20 30 EGEDRM Cc1ncc(S(=O)(=O)[N-]c2ccc(OC(C)(C)C)cc2)cc1C#N ZINC000427274222 268086189 /nfs/dbraw/zinc/08/61/89/268086189.db2.gz ILMRUBQFZHQMBN-UHFFFAOYSA-N -1 0 345.424 3.240 20 30 EGEDRM N#Cc1ccc(C[C@H](C#N)C(=O)Nc2cc(F)cc(Cl)c2[O-])cc1 ZINC000351225742 268092270 /nfs/dbraw/zinc/09/22/70/268092270.db2.gz MAGYWWCDWJNPMI-GFCCVEGCSA-N -1 0 343.745 3.377 20 30 EGEDRM CCCCc1n[n-]c(=NC(=O)N(C)[C@@H](C)c2cccc(C#N)c2)s1 ZINC000425616474 269648724 /nfs/dbraw/zinc/64/87/24/269648724.db2.gz ABGFGPSZFLXEHP-LBPRGKRZSA-N -1 0 343.456 3.399 20 30 EGEDRM N#Cc1c(NC(=O)CSCC(=O)[O-])sc2c1CCCCCC2 ZINC000006613466 452959778 /nfs/dbraw/zinc/95/97/78/452959778.db2.gz KCCARYXWMJKEQM-UHFFFAOYSA-N -1 0 338.454 3.035 20 30 EGEDRM N#Cc1cccnc1[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000097104531 303209048 /nfs/dbraw/zinc/20/90/48/303209048.db2.gz BICKDZFXKAVWGL-UHFFFAOYSA-N -1 0 328.180 3.061 20 30 EGEDRM CSc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2C#N)cn1 ZINC000073314167 307385298 /nfs/dbraw/zinc/38/52/98/307385298.db2.gz FZTSUWNHTPFIIT-UHFFFAOYSA-N -1 0 339.829 3.129 20 30 EGEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1nc2ccccc2s1 ZINC000077966151 307415492 /nfs/dbraw/zinc/41/54/92/307415492.db2.gz WEVJBSBPTKOOMM-UHFFFAOYSA-N -1 0 329.406 3.277 20 30 EGEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)c(F)c1 ZINC000128587139 307602588 /nfs/dbraw/zinc/60/25/88/307602588.db2.gz OEVVNYCZYBQDNW-UHFFFAOYSA-N -1 0 333.319 3.119 20 30 EGEDRM CCc1cccc(S(=O)(=O)[N-]c2cc(C#N)c3ccccc3n2)c1 ZINC000508128972 312089309 /nfs/dbraw/zinc/08/93/09/312089309.db2.gz QZUUIZHGPXDUEO-UHFFFAOYSA-N -1 0 337.404 3.470 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cnoc2-c2ccccc2)c(F)c1 ZINC000538496786 314249751 /nfs/dbraw/zinc/24/97/51/314249751.db2.gz FNBUKLHKNCRRMC-UHFFFAOYSA-N -1 0 343.339 3.153 20 30 EGEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1C ZINC000545999520 314801928 /nfs/dbraw/zinc/80/19/28/314801928.db2.gz RKRNYDJHMMWZIC-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM O=C([N-]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(F)(F)C(F)F ZINC000278494916 455837614 /nfs/dbraw/zinc/83/76/14/455837614.db2.gz KCSCTYMRXWUVAH-UHFFFAOYSA-N -1 0 348.174 3.130 20 30 EGEDRM N#Cc1cnc2c(F)c(F)c(F)cc2c1N1CCC[C@@H](CC(=O)[O-])C1 ZINC000581596515 325374712 /nfs/dbraw/zinc/37/47/12/325374712.db2.gz KZSKUYFCIJJWAL-VIFPVBQESA-N -1 0 349.312 3.215 20 30 EGEDRM CCCc1cnc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)s1 ZINC000183196698 455249592 /nfs/dbraw/zinc/24/95/92/455249592.db2.gz KYKARTUCTWHHGZ-UHFFFAOYSA-N -1 0 341.845 3.421 20 30 EGEDRM C[C@H]1CN(c2c(C#N)cnc3c(F)c(F)c(F)cc32)CC[C@H]1C(=O)[O-] ZINC000600801463 460609685 /nfs/dbraw/zinc/60/96/85/460609685.db2.gz QIGSJQGIALEHSQ-WCBMZHEXSA-N -1 0 349.312 3.071 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2ccn(-c3cccc(F)c3)n2)n1 ZINC000067893394 453978253 /nfs/dbraw/zinc/97/82/53/453978253.db2.gz JQRFHZBVQJOMRG-CYBMUJFWSA-N -1 0 326.356 3.266 20 30 EGEDRM CC(C)CCN(CCC#N)C(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000084410071 453987846 /nfs/dbraw/zinc/98/78/46/453987846.db2.gz PCLFXHSEIJWVFP-UHFFFAOYSA-N -1 0 344.440 3.400 20 30 EGEDRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)[C@H]1CCCc2ccccc21 ZINC000042292458 454004053 /nfs/dbraw/zinc/00/40/53/454004053.db2.gz BEFQUJQJPIXIKZ-AWEZNQCLSA-N -1 0 334.397 3.057 20 30 EGEDRM C[C@@H](Cc1cccc(F)c1)C(=O)[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000069282477 454091520 /nfs/dbraw/zinc/09/15/20/454091520.db2.gz DLZSYYMSPADRKC-NSHDSACASA-N -1 0 339.363 3.489 20 30 EGEDRM C=CCOc1cccc([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC000057124040 454103290 /nfs/dbraw/zinc/10/32/90/454103290.db2.gz MPDDOGPYSJIRAG-UHFFFAOYSA-N -1 0 348.380 3.269 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cn2)cc1Cl ZINC000069674718 454131889 /nfs/dbraw/zinc/13/18/89/454131889.db2.gz ULLFENSVPXACEG-UHFFFAOYSA-N -1 0 328.180 3.061 20 30 EGEDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)C=Cc1ccnc(Cl)c1 ZINC000089492466 454156106 /nfs/dbraw/zinc/15/61/06/454156106.db2.gz QYEQLYZNUOBUFV-VOTSOKGWSA-N -1 0 336.800 3.402 20 30 EGEDRM O=C(CCc1cccnc1)[N-]S(=O)(=O)Cc1ccccc1Cl ZINC000095443347 454213566 /nfs/dbraw/zinc/21/35/66/454213566.db2.gz MBEMFUPRDRZJPU-UHFFFAOYSA-N -1 0 338.816 3.154 20 30 EGEDRM Cc1c(C([O-])=C(C#N)c2nc3ccccc3n2C)cccc1[N+](=O)[O-] ZINC000078320760 454230295 /nfs/dbraw/zinc/23/02/95/454230295.db2.gz FEEWJKAFRSIJFP-CYBMUJFWSA-N -1 0 334.335 3.280 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2scnc2-c2ccccc2)cc1 ZINC000091055052 454373204 /nfs/dbraw/zinc/37/32/04/454373204.db2.gz PTLDROHJTZPOCE-UHFFFAOYSA-N -1 0 341.417 3.483 20 30 EGEDRM CC1(C)C(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCCO3)C1(C)C ZINC000091125706 454387436 /nfs/dbraw/zinc/38/74/36/454387436.db2.gz BZICSVFEMIOPIT-UHFFFAOYSA-N -1 0 337.441 3.339 20 30 EGEDRM O=C(C=Cc1ccc(Cl)nc1)[N-]S(=O)(=O)c1ccccc1F ZINC000091437745 454435256 /nfs/dbraw/zinc/43/52/56/454435256.db2.gz XIOPJKDURHXQKT-SOFGYWHQSA-N -1 0 340.763 3.233 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2ccccc2N(C)C(=O)C2CC2)n1 ZINC000048788255 454515792 /nfs/dbraw/zinc/51/57/92/454515792.db2.gz IJFAGXPKMNCXMH-CQSZACIVSA-N -1 0 339.420 3.314 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)c2nc3ccccc3n2C)ccc1[N+](=O)[O-] ZINC000122695985 454560123 /nfs/dbraw/zinc/56/01/23/454560123.db2.gz LHMCAGUIEOBLEA-CYBMUJFWSA-N -1 0 334.335 3.280 20 30 EGEDRM CCOc1cccc(NC(=O)c2cc(C#N)c(SC)[n-]c2=O)c1 ZINC000080407130 454577538 /nfs/dbraw/zinc/57/75/38/454577538.db2.gz AASAHZRVCCTCDE-UHFFFAOYSA-N -1 0 329.381 3.032 20 30 EGEDRM CC(=O)NCc1ccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)cc1 ZINC000080449620 454583852 /nfs/dbraw/zinc/58/38/52/454583852.db2.gz KAKICBDIKISNFO-HNNXBMFYSA-N -1 0 341.436 3.393 20 30 EGEDRM Cc1c(C(=O)[N-]S(=O)(=O)c2ccc(Cl)s2)cnn1C(C)C ZINC000092692988 454612452 /nfs/dbraw/zinc/61/24/52/454612452.db2.gz MHBDXNBOMNCNRG-UHFFFAOYSA-N -1 0 347.849 3.181 20 30 EGEDRM Cc1c([N-]S(=O)(=O)c2cc(C#N)ccc2C)cnn1CCC(C)C ZINC000137790651 454785968 /nfs/dbraw/zinc/78/59/68/454785968.db2.gz CEUHRKHGCCXNIH-UHFFFAOYSA-N -1 0 346.456 3.219 20 30 EGEDRM COc1cccc(OCCn2[n-]c(C(C)(C)C)c(CCC#N)c2=O)c1 ZINC000153462583 454796038 /nfs/dbraw/zinc/79/60/38/454796038.db2.gz VNCFKULEPGICKA-UHFFFAOYSA-N -1 0 343.427 3.430 20 30 EGEDRM CCC[C@H](C)[C@H]1CCCN1C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C ZINC000156131101 455084648 /nfs/dbraw/zinc/08/46/48/455084648.db2.gz KVTHZCMJFGJCRY-SCLBCKFNSA-N -1 0 343.471 3.223 20 30 EGEDRM N#CC(=C([O-])c1cccnc1OCC(F)F)c1nc2ccccc2o1 ZINC000179988039 455110989 /nfs/dbraw/zinc/11/09/89/455110989.db2.gz LHIYKRFLBOSYPI-LLVKDONJSA-N -1 0 343.289 3.357 20 30 EGEDRM COc1ccsc1S(=O)(=O)[N-]c1ccc(C#N)c(Cl)c1 ZINC000180175672 455145210 /nfs/dbraw/zinc/14/52/10/455145210.db2.gz MJXSNSFJXWVOQZ-UHFFFAOYSA-N -1 0 328.802 3.083 20 30 EGEDRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)cc2C#N)c1 ZINC000183395840 455286962 /nfs/dbraw/zinc/28/69/62/455286962.db2.gz HWNQSTAIJVYWDH-UHFFFAOYSA-N -1 0 340.763 3.160 20 30 EGEDRM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1ccc(CC#N)cc1 ZINC000181673013 455371241 /nfs/dbraw/zinc/37/12/41/455371241.db2.gz IEPZFUCZJRTFEY-UHFFFAOYSA-N -1 0 346.456 3.023 20 30 EGEDRM CSc1c(F)cc([N-]S(=O)(=O)c2ccccc2C#N)cc1F ZINC000181753394 455379673 /nfs/dbraw/zinc/37/96/73/455379673.db2.gz IVMJFUFVAXYBPO-UHFFFAOYSA-N -1 0 340.376 3.359 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)c2cnc3ccccc3n2)nn1C(C)(C)C ZINC000190965430 455416140 /nfs/dbraw/zinc/41/61/40/455416140.db2.gz KFAYZIFHOPHKNM-ZDUSSCGKSA-N -1 0 333.395 3.380 20 30 EGEDRM CC(C)n1cc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)cn1 ZINC000191508011 455491771 /nfs/dbraw/zinc/49/17/71/455491771.db2.gz JTOWKAOZYUAPJS-CQSZACIVSA-N -1 0 337.408 3.473 20 30 EGEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N/C[C@@H]2COC3(CCCC3)O2)c1[O-] ZINC000271570524 455688287 /nfs/dbraw/zinc/68/82/87/455688287.db2.gz VPPBTWXGEDIFTA-KOSUEXCASA-N -1 0 340.763 3.058 20 30 EGEDRM COc1ccc(C(=O)/C=C/c2cn(C(C)C)nc2C)cc1CC(=O)[O-] ZINC000280928693 456085438 /nfs/dbraw/zinc/08/54/38/456085438.db2.gz HEVMDBISTIJCQU-FNORWQNLSA-N -1 0 342.395 3.304 20 30 EGEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000263493958 456157141 /nfs/dbraw/zinc/15/71/41/456157141.db2.gz PYAUJZOBQWNOHG-OLZOCXBDSA-N -1 0 347.440 3.409 20 30 EGEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC(C(=O)[O-])CC1 ZINC000263497067 456158286 /nfs/dbraw/zinc/15/82/86/456158286.db2.gz RIIWQWMUBBOFEY-GFCCVEGCSA-N -1 0 347.440 3.409 20 30 EGEDRM Cc1c(C#N)cccc1C(=O)N=c1nc(-c2ccsc2)[n-]s1 ZINC000337801048 456555433 /nfs/dbraw/zinc/55/54/33/456555433.db2.gz IBUQNXMQHVODBE-UHFFFAOYSA-N -1 0 326.406 3.121 20 30 EGEDRM C=CCOc1ccccc1CNC(=O)CC1(CC(=O)[O-])CCCC1 ZINC000348439751 456687821 /nfs/dbraw/zinc/68/78/21/456687821.db2.gz MTOWBORNNGLFQR-UHFFFAOYSA-N -1 0 331.412 3.293 20 30 EGEDRM Cc1ncncc1C([O-])=C(C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000353529019 456737706 /nfs/dbraw/zinc/73/77/06/456737706.db2.gz PCNIXXTZRVMDLH-CQSZACIVSA-N -1 0 345.387 3.270 20 30 EGEDRM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2n[nH]c(C3CC3)c2C#N)cc1 ZINC000362661982 457032378 /nfs/dbraw/zinc/03/23/78/457032378.db2.gz HKIFOVOFUDKLBZ-LLVKDONJSA-N -1 0 344.440 3.473 20 30 EGEDRM CCCc1nc(C)c([N-]S(=O)(=O)c2cccc(C)c2C#N)s1 ZINC000362726749 457064639 /nfs/dbraw/zinc/06/46/39/457064639.db2.gz UQKVMJYFGMVSHO-UHFFFAOYSA-N -1 0 335.454 3.385 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)N2CCC[C@H](C(C)(C)C)C2)cc1C#N ZINC000331067264 457127087 /nfs/dbraw/zinc/12/70/87/457127087.db2.gz GLGUGYRPWIFNKI-LBPRGKRZSA-N -1 0 333.457 3.279 20 30 EGEDRM CC(C)n1cc(C#N)c(=NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)[n-]1 ZINC000331071918 457127604 /nfs/dbraw/zinc/12/76/04/457127604.db2.gz UDGRUIDKWWHTHV-CMPLNLGQSA-N -1 0 328.338 3.065 20 30 EGEDRM Cc1ccc(-c2nc(NC(=O)C[C@@H](CC#N)c3ccccc3)n[nH]2)o1 ZINC000359840815 457134469 /nfs/dbraw/zinc/13/44/69/457134469.db2.gz JIIKTOYTSHODKT-CQSZACIVSA-N -1 0 335.367 3.399 20 30 EGEDRM CCOC(=O)c1[n-]c(=NC(=O)N[C@@H]2CC[C@@H](C)C2)sc1C(C)=O ZINC000331301512 457163136 /nfs/dbraw/zinc/16/31/36/457163136.db2.gz DZSUNRUKAYBDGE-PSASIEDQSA-N -1 0 339.417 3.037 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)c2ccncn2)nn1-c1ccccc1Cl ZINC000354469021 457243522 /nfs/dbraw/zinc/24/35/22/457243522.db2.gz MHQHZFOPHUBVPA-LBPRGKRZSA-N -1 0 337.770 3.114 20 30 EGEDRM C=C(CNC(=O)c1nn(-c2ccccc2F)cc1[O-])c1ccccc1 ZINC000360207073 457295080 /nfs/dbraw/zinc/29/50/80/457295080.db2.gz FBWUGQMECNQWFO-UHFFFAOYSA-N -1 0 337.354 3.160 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(C(C)=O)cs2)n1 ZINC000355243027 457349478 /nfs/dbraw/zinc/34/94/78/457349478.db2.gz RXDWQJRUFWBMTM-SNVBAGLBSA-N -1 0 348.405 3.074 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)c2cc(C)nc(C)n2)nn1-c1ccc(F)cc1 ZINC000347341953 457363728 /nfs/dbraw/zinc/36/37/28/457363728.db2.gz RDQVAOAYLMHCOM-MRXNPFEDSA-N -1 0 349.369 3.217 20 30 EGEDRM CC[C@H](C)n1nc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc1C ZINC000342782033 457523402 /nfs/dbraw/zinc/52/34/02/457523402.db2.gz PAZJPAVIVMKBSZ-LBPRGKRZSA-N -1 0 332.429 3.143 20 30 EGEDRM CC[C@H](C)n1nc([N-]S(=O)(=O)c2cccc(C)c2C#N)cc1C ZINC000342786540 457527965 /nfs/dbraw/zinc/52/79/65/457527965.db2.gz WTQDWULGQOAWKF-LBPRGKRZSA-N -1 0 332.429 3.143 20 30 EGEDRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2)c1 ZINC000357465994 457545815 /nfs/dbraw/zinc/54/58/15/457545815.db2.gz ISLMTYKYBZAHMQ-UHFFFAOYSA-N -1 0 340.763 3.160 20 30 EGEDRM COc1ccc(CN=c2[n-]nc(SCCCCC#N)s2)cc1 ZINC000357627636 457631447 /nfs/dbraw/zinc/63/14/47/457631447.db2.gz OTNWJLFVFTVINA-UHFFFAOYSA-N -1 0 334.470 3.367 20 30 EGEDRM COC(=O)c1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)c(F)c1 ZINC000361530305 457772639 /nfs/dbraw/zinc/77/26/39/457772639.db2.gz IZRBVIWWXNNLKK-CYBMUJFWSA-N -1 0 349.321 3.046 20 30 EGEDRM N#CC(=C([O-])c1cc(F)cc([N+](=O)[O-])c1)c1cnc2ccccc2n1 ZINC000361541343 457782325 /nfs/dbraw/zinc/78/23/25/457782325.db2.gz OIGBZZWRQXBHRE-ZDUSSCGKSA-N -1 0 336.282 3.167 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)N(C)Cc2ccc(F)c(C)c2)cc1C#N ZINC000444419353 457895999 /nfs/dbraw/zinc/89/59/99/457895999.db2.gz AUFJAUOXZPHDAG-UHFFFAOYSA-N -1 0 345.399 3.101 20 30 EGEDRM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cc1C ZINC000427302703 457971618 /nfs/dbraw/zinc/97/16/18/457971618.db2.gz SXNOIPSJAVGHNQ-UHFFFAOYSA-N -1 0 332.356 3.009 20 30 EGEDRM C=CCCCS(=O)(=O)[N-]c1n[nH]c2ccc(C(F)(F)F)cc21 ZINC000427759009 458031992 /nfs/dbraw/zinc/03/19/92/458031992.db2.gz ARIKFORYNHWNCV-UHFFFAOYSA-N -1 0 333.335 3.290 20 30 EGEDRM CCOC(=O)c1csc([C@H](C#N)C(=O)c2cc(C)n(CC)c2C)n1 ZINC000358653448 458130895 /nfs/dbraw/zinc/13/08/95/458130895.db2.gz SLSRIXQAHRUIST-CYBMUJFWSA-N -1 0 345.424 3.248 20 30 EGEDRM Cc1oc(C#N)cc1C(=O)N=c1nc(-c2ccccc2Cl)[n-]s1 ZINC000435465463 458152493 /nfs/dbraw/zinc/15/24/93/458152493.db2.gz WJXUOZNDJGUDAT-UHFFFAOYSA-N -1 0 344.783 3.306 20 30 EGEDRM C=CCN(C)C(=O)N=c1[n-]nc(-c2c(F)cccc2Cl)s1 ZINC000429562795 458345623 /nfs/dbraw/zinc/34/56/23/458345623.db2.gz ATDZIDKZJASJRN-UHFFFAOYSA-N -1 0 326.784 3.069 20 30 EGEDRM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3nccc4ccccc43)nc1-2 ZINC000429568835 458347856 /nfs/dbraw/zinc/34/78/56/458347856.db2.gz KBYWRHVHPWMEDO-CQSZACIVSA-N -1 0 327.347 3.305 20 30 EGEDRM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3csc(-c4ccoc4)n3)nc1-2 ZINC000429603897 458352151 /nfs/dbraw/zinc/35/21/51/458352151.db2.gz HZJOYUMATHYCGM-NSHDSACASA-N -1 0 349.375 3.473 20 30 EGEDRM CCOc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)[C@@H](C#N)CC ZINC000416935538 458356900 /nfs/dbraw/zinc/35/69/00/458356900.db2.gz GOYPWECIAOXHHI-SNVBAGLBSA-N -1 0 336.335 3.148 20 30 EGEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(Oc2ccc(C)cc2)nc1 ZINC000416933355 458357091 /nfs/dbraw/zinc/35/70/91/458357091.db2.gz ASVGQHVGINSXHN-HNNXBMFYSA-N -1 0 331.397 3.226 20 30 EGEDRM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1cc(Cl)ccc1C#N ZINC000421231993 458408782 /nfs/dbraw/zinc/40/87/82/458408782.db2.gz JWZVDWFLNTWVEA-CYBMUJFWSA-N -1 0 330.837 3.014 20 30 EGEDRM C=CCC[C@H](NC(=O)c1ccc(OC2CCC2)cc1Cl)C(=O)[O-] ZINC000449000092 458418574 /nfs/dbraw/zinc/41/85/74/458418574.db2.gz ZXTWWWGKVRQGNE-HNNXBMFYSA-N -1 0 337.803 3.421 20 30 EGEDRM CN(CC(C)(C)C#N)C(=O)c1cc(Br)cc(Cl)c1[O-] ZINC000452150467 458496161 /nfs/dbraw/zinc/49/61/61/458496161.db2.gz XVCDYVREPSQGPH-UHFFFAOYSA-N -1 0 345.624 3.430 20 30 EGEDRM CCOCc1nc(C)c(C([O-])=C(C#N)c2nc3ccccc3[nH]2)s1 ZINC000453589289 458536407 /nfs/dbraw/zinc/53/64/07/458536407.db2.gz MRJLJKFBLFPOCW-NSHDSACASA-N -1 0 340.408 3.354 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2scnc2C(C)C)n1 ZINC000453623083 458539027 /nfs/dbraw/zinc/53/90/27/458539027.db2.gz BODRLJBIUWJDBQ-VIFPVBQESA-N -1 0 349.437 3.390 20 30 EGEDRM C=CCOc1cccnc1C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000432002447 458660064 /nfs/dbraw/zinc/66/00/64/458660064.db2.gz VUOSCCHBWKBWCQ-CYBMUJFWSA-N -1 0 340.379 3.162 20 30 EGEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)c1cc(C)ccc1Cl ZINC000546707209 458661607 /nfs/dbraw/zinc/66/16/07/458661607.db2.gz JJKFLALJQIDXAY-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM Cc1ncc(C([O-])=C(C#N)c2nc3ccccc3n2C)c(C2CC2)n1 ZINC000547387204 458731365 /nfs/dbraw/zinc/73/13/65/458731365.db2.gz KETBXUPTBSQJAW-ZDUSSCGKSA-N -1 0 331.379 3.039 20 30 EGEDRM C=CC[C@H](CC)NC(=O)N=c1[n-]nc(Cc2cccc(OC)c2)s1 ZINC000466403110 458897506 /nfs/dbraw/zinc/89/75/06/458897506.db2.gz CDXAPGZNFIGOAI-ZDUSSCGKSA-N -1 0 346.456 3.036 20 30 EGEDRM Cc1cc2ncc(C([O-])=C(C#N)c3nc(C(C)C)cs3)c(C)n2n1 ZINC000531330779 458901484 /nfs/dbraw/zinc/90/14/84/458901484.db2.gz CYYOAHJEGXVOQW-LBPRGKRZSA-N -1 0 339.424 3.416 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2cccc3c2OC(C)(C)C3)ccc1C#N ZINC000577578972 459054101 /nfs/dbraw/zinc/05/41/01/459054101.db2.gz OWJOJGDRQOYVIY-UHFFFAOYSA-N -1 0 342.420 3.381 20 30 EGEDRM CCOC(=O)c1ccc(C([O-])=C(C#N)c2ccc3ccccc3n2)nc1 ZINC000590320176 459113370 /nfs/dbraw/zinc/11/33/70/459113370.db2.gz QMFOMOVSRAGTOO-OAHLLOKOSA-N -1 0 345.358 3.297 20 30 EGEDRM C[C@H]1CCc2onc(C([O-])=C(C#N)c3cnc4ccccc4n3)c2C1 ZINC000560001021 459290418 /nfs/dbraw/zinc/29/04/18/459290418.db2.gz TZDNQRRRXCOROC-AAEUAGOBSA-N -1 0 332.363 3.233 20 30 EGEDRM CCc1ccc(S(=O)(=O)[N-]c2cc(C)nn2CCC#N)cc1CC ZINC000534495558 459329406 /nfs/dbraw/zinc/32/94/06/459329406.db2.gz CEFJTXJMMZWCHA-UHFFFAOYSA-N -1 0 346.456 3.031 20 30 EGEDRM CO[C@H](CS(=O)(=O)[N-]c1ccc(Cl)cc1C#N)C1CCCC1 ZINC000596041543 459499386 /nfs/dbraw/zinc/49/93/86/459499386.db2.gz KKGGRTKBNUJHHL-OAHLLOKOSA-N -1 0 342.848 3.159 20 30 EGEDRM Cc1cn2ccnc(C([O-])=C(C#N)c3ncc(C(C)(C)C)s3)c2n1 ZINC000562389194 459550997 /nfs/dbraw/zinc/55/09/97/459550997.db2.gz WUDOSUBCLJMTDB-NSHDSACASA-N -1 0 339.424 3.282 20 30 EGEDRM C=C[C@@H]1OCC[C@H]1C(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC000562528468 459580206 /nfs/dbraw/zinc/58/02/06/459580206.db2.gz CAPRHGBTABCWPX-KCJUWKMLSA-N -1 0 346.608 3.338 20 30 EGEDRM COC(=O)c1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)s1 ZINC000592399823 459593327 /nfs/dbraw/zinc/59/33/27/459593327.db2.gz WIDZLKWCOPZVBY-SECBINFHSA-N -1 0 332.406 3.359 20 30 EGEDRM Cc1nn(C)c(C)c1C([O-])=C(C#N)c1nc2cc(F)ccc2s1 ZINC000592975757 459726062 /nfs/dbraw/zinc/72/60/62/459726062.db2.gz OXLMRUHJPLYEDN-NSHDSACASA-N -1 0 328.372 3.276 20 30 EGEDRM N#CCCC[C@@H](NC(=O)N1CCC[C@H](CC(=O)[O-])C1)c1ccccc1 ZINC000564713489 459775893 /nfs/dbraw/zinc/77/58/93/459775893.db2.gz QTFMEAPFRJMURU-NVXWUHKLSA-N -1 0 343.427 3.318 20 30 EGEDRM Cn1cc([N+](=O)[O-])cc1C([O-])=C(C#N)c1nc2cc(F)ccc2s1 ZINC000609321834 459944046 /nfs/dbraw/zinc/94/40/46/459944046.db2.gz NDFZIGSNFWDPDG-JTQLQIEISA-N -1 0 344.327 3.172 20 30 EGEDRM N#Cc1cc(NC(=O)c2cccc(Br)c2[O-])ccc1F ZINC000609316445 459944075 /nfs/dbraw/zinc/94/40/75/459944075.db2.gz ZULWQDXCGUZSRQ-UHFFFAOYSA-N -1 0 335.132 3.418 20 30 EGEDRM C=CCOc1ccc(C(=O)N[C@H](C(=O)[O-])C2CCCCC2)cc1OC ZINC000621584055 459970717 /nfs/dbraw/zinc/97/07/17/459970717.db2.gz ALMSVRBZZFWXHR-KRWDZBQOSA-N -1 0 347.411 3.023 20 30 EGEDRM Cc1ccc(C)c2sc([N-]S(=O)(=O)c3ccc(C#N)o3)nc21 ZINC000588941826 460008429 /nfs/dbraw/zinc/00/84/29/460008429.db2.gz LPSBTSVYIAQHOU-UHFFFAOYSA-N -1 0 333.394 3.179 20 30 EGEDRM Cc1ccc(-c2cc(=NC(=O)CSc3ccc(C#N)cc3)[nH][n-]2)o1 ZINC000618600475 460081813 /nfs/dbraw/zinc/08/18/13/460081813.db2.gz QYYZUZMPZSSCFO-UHFFFAOYSA-N -1 0 338.392 3.003 20 30 EGEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)c1noc2c1COCC2 ZINC000598933356 460093990 /nfs/dbraw/zinc/09/39/90/460093990.db2.gz VUXOLWVIPQGZFN-NSHDSACASA-N -1 0 343.408 3.251 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2cccnc2OCc2ccccc2)cc1[O-] ZINC000615464601 460332995 /nfs/dbraw/zinc/33/29/95/460332995.db2.gz OVZLLIWXYZKPOI-UHFFFAOYSA-N -1 0 345.358 3.490 20 30 EGEDRM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]c2n[nH]cc2C#N)c1Cl ZINC000611343281 460340418 /nfs/dbraw/zinc/34/04/18/460340418.db2.gz JTXWIYGXAZDICM-UHFFFAOYSA-N -1 0 345.211 3.006 20 30 EGEDRM CC[C@@H](C)n1nc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1C ZINC000619463618 460362958 /nfs/dbraw/zinc/36/29/58/460362958.db2.gz CLSKNSDXUAKNOF-GFCCVEGCSA-N -1 0 332.429 3.029 20 30 EGEDRM N#Cc1c[n-][nH]c1=NC(=O)C1(c2cccc(C(F)(F)F)c2)CCCC1 ZINC000601641930 460854701 /nfs/dbraw/zinc/85/47/01/460854701.db2.gz STENULLKVOQFKV-UHFFFAOYSA-N -1 0 348.328 3.173 20 30 EGEDRM C[C@H](C#N)Cn1[n-]c(-c2ccc(OCc3ccccc3)cc2)cc1=O ZINC000601935262 460951059 /nfs/dbraw/zinc/95/10/59/460951059.db2.gz RSJTYFHJGWMHSI-OAHLLOKOSA-N -1 0 333.391 3.362 20 30 EGEDRM Cc1[n-]n(-c2nc(-c3ccc(Cl)cc3)no2)c(=O)c1CCC#N ZINC000601939873 460953719 /nfs/dbraw/zinc/95/37/19/460953719.db2.gz PCVYXFFNEDLHBE-GFCCVEGCSA-N -1 0 329.747 3.032 20 30 EGEDRM C=C(C)C[C@H](NC(=O)c1ccc(NC(=O)CC(C)C)c(C)c1)C(=O)[O-] ZINC000630327008 461096465 /nfs/dbraw/zinc/09/64/65/461096465.db2.gz UXWUQPMVLIMZFD-INIZCTEOSA-N -1 0 346.427 3.129 20 30 EGEDRM CC(C)c1csc(C(C#N)=C([O-])c2ncoc2-c2ccon2)n1 ZINC000659113332 461166966 /nfs/dbraw/zinc/16/69/66/461166966.db2.gz DXDJVPVXVNPRMO-SECBINFHSA-N -1 0 328.353 3.400 20 30 EGEDRM C=C(C)COc1cccc(NC(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)c1 ZINC000630561447 461189466 /nfs/dbraw/zinc/18/94/66/461189466.db2.gz PPVKOVCMHLGRAA-CZUORRHYSA-N -1 0 332.400 3.216 20 30 EGEDRM C=CCOc1c(Cl)cc(CN=c2[n-]nc([C@@H]3C[C@@H]3C)o2)cc1OC ZINC000630960271 461440488 /nfs/dbraw/zinc/44/04/88/461440488.db2.gz IPOGZIIHIGYBIQ-CMPLNLGQSA-N -1 0 349.818 3.454 20 30 EGEDRM CC(=O)NCc1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cc1 ZINC000647375751 461667039 /nfs/dbraw/zinc/66/70/39/461667039.db2.gz FDOBRXIYGADKLA-OAHLLOKOSA-N -1 0 339.420 3.147 20 30 EGEDRM C=CCCNC(=O)C[C@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000656485723 461762496 /nfs/dbraw/zinc/76/24/96/461762496.db2.gz FEVYKSZICYZFHV-HNNXBMFYSA-N -1 0 330.211 3.418 20 30 EGEDRM C=CCC[C@@H](NC(=O)NCc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000656585191 461797977 /nfs/dbraw/zinc/79/79/77/461797977.db2.gz POHDEHIMCIHLPO-GFCCVEGCSA-N -1 0 331.199 3.212 20 30 EGEDRM C=CCCS(=O)(=O)[N-]c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000187847645 527419918 /nfs/dbraw/zinc/41/99/18/527419918.db2.gz TTXVJDLCGCAAPV-GFCCVEGCSA-N -1 0 345.848 3.073 20 30 EGEDRM Cc1ncc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)s1 ZINC000172087341 546997240 /nfs/dbraw/zinc/99/72/40/546997240.db2.gz IURUMAMWAROBSY-LLVKDONJSA-N -1 0 326.406 3.460 20 30 EGEDRM Cc1ncc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)c(C)n1 ZINC000679090789 549632642 /nfs/dbraw/zinc/63/26/42/549632642.db2.gz CPXIWYBEOVNOIT-LLVKDONJSA-N -1 0 326.356 3.332 20 30 EGEDRM N#CC(=C([O-])c1cnc2nccnc2c1)c1nc2cc(F)ccc2s1 ZINC000680617097 549885784 /nfs/dbraw/zinc/88/57/84/549885784.db2.gz FUJWYCHADQWXAY-NSHDSACASA-N -1 0 349.350 3.264 20 30 EGEDRM COc1ccc([C@@H](CC(=O)[O-])/N=C\c2cc(OC)ccc2O)cc1 ZINC000737950727 574520069 /nfs/dbraw/zinc/52/00/69/574520069.db2.gz SQMOLILHNVRLGV-VXIUPONVSA-N -1 0 329.352 3.044 20 30 EGEDRM CCCCCCCC(=O)[N-]S(=O)(=O)c1cccc2ncccc21 ZINC000726386889 574551697 /nfs/dbraw/zinc/55/16/97/574551697.db2.gz AZNDWXSKSZXVLP-UHFFFAOYSA-N -1 0 334.441 3.400 20 30 EGEDRM CCCN1c2ccccc2C(=N[N-]c2nc(-c3ccccc3)no2)C1=O ZINC000726739724 574569156 /nfs/dbraw/zinc/56/91/56/574569156.db2.gz SVKLSIRCRKRUCJ-UHFFFAOYSA-N -1 0 347.378 3.309 20 30 EGEDRM CC(N=Nc1nc(-c2ccccc2)no1)c1ccc(CC(=O)[O-])cc1 ZINC000726738411 574569294 /nfs/dbraw/zinc/56/92/94/574569294.db2.gz SCQQEYVJMYYBBW-UHFFFAOYSA-N -1 0 336.351 3.200 20 30 EGEDRM O=[N+]([O-])c1ccc(NN=Cc2ccc([O-])c([N+](=O)[O-])c2)c(Cl)c1 ZINC000727649816 574680864 /nfs/dbraw/zinc/68/08/64/574680864.db2.gz NQFVAQPMQPJXEG-UHFFFAOYSA-N -1 0 336.691 3.308 20 30 EGEDRM COc1cc(/C=C/C(=O)c2ccc(O)c(C)c2)ccc1OCC(=O)[O-] ZINC000728232475 574732211 /nfs/dbraw/zinc/73/22/11/574732211.db2.gz UHOZOGFMBDHIGT-ZZXKWVIFSA-N -1 0 342.347 3.069 20 30 EGEDRM Cc1ccc(-c2csc(C(C#N)C(=O)CCCNC(=O)[O-])n2)cc1 ZINC000738487592 574737720 /nfs/dbraw/zinc/73/77/20/574737720.db2.gz BTYARFPHNXFPKW-ZDUSSCGKSA-N -1 0 343.408 3.343 20 30 EGEDRM COc1cc(/C=C/C(=O)c2csc(C(=O)[O-])c2)ccc1OCC#N ZINC000730150833 574926479 /nfs/dbraw/zinc/92/64/79/574926479.db2.gz XPZCXOBEDYZHKB-DUXPYHPUSA-N -1 0 343.360 3.253 20 30 EGEDRM C=CCNC(=O)c1ccsc1NC(=O)c1ccc(Cl)cc1[O-] ZINC000730205673 574944140 /nfs/dbraw/zinc/94/41/40/574944140.db2.gz BXAHAKCTJDMIKT-UHFFFAOYSA-N -1 0 336.800 3.275 20 30 EGEDRM C[C@@H](C#N)NC(=O)c1ccsc1NC(=O)c1ccc(Cl)cc1[O-] ZINC000730215053 574948648 /nfs/dbraw/zinc/94/86/48/574948648.db2.gz CQZBYXUFCFNLQD-QMMMGPOBSA-N -1 0 349.799 3.001 20 30 EGEDRM O=C([O-])CCOc1cccc(/C=C2/COc3ccc(F)cc3C2=O)c1 ZINC000731565159 575080793 /nfs/dbraw/zinc/08/07/93/575080793.db2.gz GUMMBTJCMLQHNW-JYRVWZFOSA-N -1 0 342.322 3.338 20 30 EGEDRM COc1ccc([C@@H]2CCCCC2N=Nc2nnc(C)c(=O)[n-]2)cc1F ZINC000732711555 575283811 /nfs/dbraw/zinc/28/38/11/575283811.db2.gz PKJKCQJGPBSVIS-LBPRGKRZSA-N -1 0 345.378 3.159 20 30 EGEDRM Cc1cc(C)c2c(c1)OC/C(=C\c1cccc(OCC(=O)[O-])c1)C2=O ZINC000733206475 575320545 /nfs/dbraw/zinc/32/05/45/575320545.db2.gz LDUGXGHEYBIFEL-OVCLIPMQSA-N -1 0 338.359 3.426 20 30 EGEDRM C[C@H]1c2c(c(O)ccc2F)C(=O)/C1=C\c1cccc(OCC(=O)[O-])c1 ZINC000733206798 575320577 /nfs/dbraw/zinc/32/05/77/575320577.db2.gz QNQFCIIGFOHMIJ-GARZTLJTSA-N -1 0 342.322 3.378 20 30 EGEDRM C[C@@H]1c2c(c(O)ccc2F)C(=O)/C1=C\c1cccc(OCC(=O)[O-])c1 ZINC000733206795 575320582 /nfs/dbraw/zinc/32/05/82/575320582.db2.gz QNQFCIIGFOHMIJ-AAIQCTMTSA-N -1 0 342.322 3.378 20 30 EGEDRM CC[C@@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000734080119 575433564 /nfs/dbraw/zinc/43/35/64/575433564.db2.gz KPQBTBZGZICJSQ-INIZCTEOSA-N -1 0 348.468 3.360 20 30 EGEDRM C=CCOc1ccc(C(=O)Oc2ccc(C(=O)[O-])cc2C(C)=O)cc1 ZINC000736114058 575900207 /nfs/dbraw/zinc/90/02/07/575900207.db2.gz KDTPNLOAEUOSEU-UHFFFAOYSA-N -1 0 340.331 3.371 20 30 EGEDRM CC(C)(CC(=O)[O-])NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000736311048 575932419 /nfs/dbraw/zinc/93/24/19/575932419.db2.gz GIXYKYCBSPUHOE-UHFFFAOYSA-N -1 0 337.379 3.285 20 30 EGEDRM C[C@@H](CC(=O)[O-])S[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000736552457 575983200 /nfs/dbraw/zinc/98/32/00/575983200.db2.gz NJIXWKRSLLGKTL-RYUDHWBXSA-N -1 0 338.404 3.057 20 30 EGEDRM C[C@H](CSCC(=O)C=C1N(C)c2ccccc2C1(C)C)C(=O)[O-] ZINC000736619463 575990606 /nfs/dbraw/zinc/99/06/06/575990606.db2.gz UIHYFOVDVMLYMW-GFQQVXNGSA-N -1 0 333.453 3.321 20 30 EGEDRM C[C@H](OC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1cccc(C#N)c1 ZINC000736689065 576006200 /nfs/dbraw/zinc/00/62/00/576006200.db2.gz IGDNZRPWWKUITK-JTQLQIEISA-N -1 0 340.291 3.083 20 30 EGEDRM C[C@H](Oc1ccc(C#N)cc1)c1nc(-c2ccc(C(=O)[O-])cc2)no1 ZINC000736700401 576009002 /nfs/dbraw/zinc/00/90/02/576009002.db2.gz LNALACOLRPYSOG-NSHDSACASA-N -1 0 335.319 3.446 20 30 EGEDRM C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000736708889 576010799 /nfs/dbraw/zinc/01/07/99/576010799.db2.gz YDRXNGCFIMXISL-SNVBAGLBSA-N -1 0 343.314 3.193 20 30 EGEDRM CN(CC(=O)[O-])C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 ZINC000737402258 576221412 /nfs/dbraw/zinc/22/14/12/576221412.db2.gz DDIQZTIPJVEZOB-UHFFFAOYSA-N -1 0 344.754 3.161 20 30 EGEDRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(C#N)cc2)cc1 ZINC000738203059 576299405 /nfs/dbraw/zinc/29/94/05/576299405.db2.gz OFEANGPLOGGQSW-MRXNPFEDSA-N -1 0 340.404 3.226 20 30 EGEDRM C=CCn1c2ccccc2n(CN2CCC(C(=O)[O-])CC2)c1=S ZINC000738503620 576332696 /nfs/dbraw/zinc/33/26/96/576332696.db2.gz UZLMHEJIKYWZCC-UHFFFAOYSA-N -1 0 331.441 3.112 20 30 EGEDRM Cc1cccc(O[C@@H](C)C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000738735204 576356857 /nfs/dbraw/zinc/35/68/57/576356857.db2.gz RSWALGDDVXJSLU-GUYCJALGSA-N -1 0 339.347 3.003 20 30 EGEDRM Cc1nc2ccccc2cc1C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000738875574 576366812 /nfs/dbraw/zinc/36/68/12/576366812.db2.gz QXALTDFBABWYTQ-GOSISDBHSA-N -1 0 346.342 3.398 20 30 EGEDRM N#CCc1cccc(C(=O)N(CCC(=O)[O-])c2cccc(F)c2)c1 ZINC000739091592 576377451 /nfs/dbraw/zinc/37/74/51/576377451.db2.gz GTBUTIQZJBEMEK-UHFFFAOYSA-N -1 0 326.327 3.013 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)/C=C/c2cccc(F)c2)C(=O)[O-])cc1 ZINC000739111170 576378508 /nfs/dbraw/zinc/37/85/08/576378508.db2.gz VAPRCLWDQUQWGE-NADMHLTPSA-N -1 0 325.295 3.080 20 30 EGEDRM N#Cc1ccc(CCC(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)cc1 ZINC000739117130 576378868 /nfs/dbraw/zinc/37/88/68/576378868.db2.gz ILOXSVBKRZRMGZ-SFHVURJKSA-N -1 0 336.391 3.213 20 30 EGEDRM N#Cc1ccc(CNC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)cc1 ZINC000739119161 576378979 /nfs/dbraw/zinc/37/89/79/576378979.db2.gz YRVYEIQDAXMBDE-UHFFFAOYSA-N -1 0 328.303 3.109 20 30 EGEDRM N#Cc1ccccc1/C=C\C(=O)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC000739140641 576379545 /nfs/dbraw/zinc/37/95/45/576379545.db2.gz WKFLZWKENHJMIW-SIKDUDHDSA-N -1 0 334.375 3.294 20 30 EGEDRM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)C3=CCCCO3)c2)c1 ZINC000739480738 576416694 /nfs/dbraw/zinc/41/66/94/576416694.db2.gz SSFKVXPUSVTYLQ-UHFFFAOYSA-N -1 0 347.370 3.417 20 30 EGEDRM O=C([O-])COc1ccc(C(=O)C=Cc2c[nH]c(-c3ccccc3)n2)cc1 ZINC000739819294 576507344 /nfs/dbraw/zinc/50/73/44/576507344.db2.gz ONTCNUUHOIAKBQ-FLIBITNWSA-N -1 0 348.358 3.436 20 30 EGEDRM O=C([O-])c1ccc(OCCN=Cc2cc3ccccc3[nH]c2=O)cc1 ZINC000740164871 576557562 /nfs/dbraw/zinc/55/75/62/576557562.db2.gz IBVWPZHYDPDQFD-NDENLUEZSA-N -1 0 336.347 3.137 20 30 EGEDRM O=C([O-])c1ccc2[nH]cc(C=NNCc3ccc(F)cc3F)c2c1 ZINC000740191304 576562656 /nfs/dbraw/zinc/56/26/56/576562656.db2.gz ZEBZVENFAHIFPS-UHFFFAOYSA-N -1 0 329.306 3.268 20 30 EGEDRM COc1ccc(C=Nn2c(=S)[n-]nc2C(F)(F)F)cc1Cl ZINC000741456345 576687745 /nfs/dbraw/zinc/68/77/45/576687745.db2.gz PEOTXNKLVNMNGD-UHFFFAOYSA-N -1 0 336.726 3.130 20 30 EGEDRM C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(OCC)cc1 ZINC000741657195 576709018 /nfs/dbraw/zinc/70/90/18/576709018.db2.gz LKQLTBHUKKQVEK-UHFFFAOYSA-N -1 0 349.383 3.037 20 30 EGEDRM C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(C)c(F)c1 ZINC000741657779 576709161 /nfs/dbraw/zinc/70/91/61/576709161.db2.gz WZXALVWUAUSZFH-UHFFFAOYSA-N -1 0 337.347 3.086 20 30 EGEDRM CCO[C@H](C)c1ncc(C([O-])=C(C#N)C(=O)Nc2ccccc2)s1 ZINC000744029773 576819211 /nfs/dbraw/zinc/81/92/11/576819211.db2.gz VINBGATYXWSXKI-YPMHNXCESA-N -1 0 343.408 3.202 20 30 EGEDRM COc1cc(/C=C/C(=O)c2cccc(O[C@H](C)C(=O)[O-])c2)ccc1O ZINC000745021944 576838674 /nfs/dbraw/zinc/83/86/74/576838674.db2.gz VLKTXQPBYAOOER-WAFBPQNNSA-N -1 0 342.347 3.149 20 30 EGEDRM Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](C)C(=O)[O-] ZINC000818849330 597204057 /nfs/dbraw/zinc/20/40/57/597204057.db2.gz ULBTYCFILMRNBS-GFCCVEGCSA-N -1 0 339.351 3.254 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CC=C(c2cccc3ccccc32)CC1 ZINC000819810877 597639177 /nfs/dbraw/zinc/63/91/77/597639177.db2.gz HCJHDEKTLPTKJL-NRFANRHFSA-N -1 0 348.402 3.460 20 30 EGEDRM COc1cc(C(=O)/C=C\c2cccc(C(=O)[O-])c2)cc(OC)c1OC ZINC000765825283 598201269 /nfs/dbraw/zinc/20/12/69/598201269.db2.gz OAPPEEZOIHOAOB-FPLPWBNLSA-N -1 0 342.347 3.307 20 30 EGEDRM CCOc1cccc2cc([C@H](C)NC(=O)[C@](C)(C#N)CC(=O)[O-])oc21 ZINC000820391679 598222972 /nfs/dbraw/zinc/22/29/72/598222972.db2.gz GWYOPTTXHDZUJT-VOJFVSQTSA-N -1 0 344.367 3.013 20 30 EGEDRM CCCN(Cc1c(F)cccc1Cl)C(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC000820321269 598223731 /nfs/dbraw/zinc/22/37/31/598223731.db2.gz PNLBYHJLHLSIMT-MRXNPFEDSA-N -1 0 340.782 3.222 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NCC1(Sc2ccccc2)CCCC1 ZINC000819833427 598227136 /nfs/dbraw/zinc/22/71/36/598227136.db2.gz GZCXAROIZOZPQL-KRWDZBQOSA-N -1 0 346.452 3.212 20 30 EGEDRM Cc1ccc(-c2cccc(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])c2)cc1 ZINC000821052016 598230375 /nfs/dbraw/zinc/23/03/75/598230375.db2.gz HDJSYVLONLHJGN-HXUWFJFHSA-N -1 0 336.391 3.283 20 30 EGEDRM COc1ccc(C(=O)[O-])c(NCCCOc2ccc(C#N)cc2)c1 ZINC000737942363 600018231 /nfs/dbraw/zinc/01/82/31/600018231.db2.gz GSMBSUGLUXRGJF-UHFFFAOYSA-N -1 0 326.352 3.146 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)c2cccc(F)c2Cl)C(=O)[O-])cc1 ZINC000833072472 600733820 /nfs/dbraw/zinc/73/38/20/600733820.db2.gz MWTWXFNRYKHXIN-AWEZNQCLSA-N -1 0 333.702 3.333 20 30 EGEDRM N#Cc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000833071080 600808515 /nfs/dbraw/zinc/80/85/15/600808515.db2.gz WEOPVIIPCDPKEZ-HNNXBMFYSA-N -1 0 328.755 3.157 20 30 EGEDRM Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(C(=O)[O-])s1 ZINC000833024443 600904090 /nfs/dbraw/zinc/90/40/90/600904090.db2.gz BCNJQISNWOYDSZ-UHFFFAOYSA-N -1 0 341.348 3.262 20 30 EGEDRM CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000826951778 600914232 /nfs/dbraw/zinc/91/42/32/600914232.db2.gz PHZIFLAFRKLAOI-IRXDYDNUSA-N -1 0 328.412 3.186 20 30 EGEDRM C=CCCOCC(=O)O[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000825675785 601121611 /nfs/dbraw/zinc/12/16/11/601121611.db2.gz FVHUDQYKBWCCND-ZDUSSCGKSA-N -1 0 333.167 3.255 20 30 EGEDRM CC(C)(C(=O)[O-])c1ccc(NC(=O)N(CCC#N)CC2CC2)cc1 ZINC000826118370 601132295 /nfs/dbraw/zinc/13/22/95/601132295.db2.gz IABWFDJRCWTJCX-UHFFFAOYSA-N -1 0 329.400 3.206 20 30 EGEDRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(C#N)s1 ZINC000827049512 601281163 /nfs/dbraw/zinc/28/11/63/601281163.db2.gz WBAJZNISXOORFL-UHFFFAOYSA-N -1 0 330.365 3.357 20 30 EGEDRM CC(=O)Nc1cccc2c1CCCN2[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000825917759 601312124 /nfs/dbraw/zinc/31/21/24/601312124.db2.gz UZPNLTSCNGLJID-LJQANCHMSA-N -1 0 349.390 3.095 20 30 EGEDRM CN(Cc1nc2c(s1)CCCC2)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830874668 601323913 /nfs/dbraw/zinc/32/39/13/601323913.db2.gz HUJMHZPZERSQFX-QGZVFWFLSA-N -1 0 341.436 3.151 20 30 EGEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)CS[C@@H](C)C(=O)[O-] ZINC000827218582 601345125 /nfs/dbraw/zinc/34/51/25/601345125.db2.gz RIVPVROMJSPVHY-MNOVXSKESA-N -1 0 338.454 3.226 20 30 EGEDRM N#Cc1cccc([C@H](OC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)C(=O)[O-])c1 ZINC000833076618 601346417 /nfs/dbraw/zinc/34/64/17/601346417.db2.gz XICIKTIPBBWSKK-ULQDDVLXSA-N -1 0 339.322 3.170 20 30 EGEDRM Cc1ccc(O[C@@H](C)C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000832952742 601347662 /nfs/dbraw/zinc/34/76/62/601347662.db2.gz BVKAKZRVMGYDCA-GUYCJALGSA-N -1 0 339.347 3.003 20 30 EGEDRM COc1cccc([C@@H](C)C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000832527860 601350264 /nfs/dbraw/zinc/35/02/64/601350264.db2.gz DCVNKTVKTCVTPQ-SJKOYZFVSA-N -1 0 339.347 3.039 20 30 EGEDRM Cc1ccc2c(CC(=O)O[C@@H](C(=O)[O-])c3cccc(C#N)c3)c[nH]c2c1 ZINC000832959046 601352148 /nfs/dbraw/zinc/35/21/48/601352148.db2.gz BHZDANPTSPTQBM-LJQANCHMSA-N -1 0 348.358 3.260 20 30 EGEDRM C[C@H](C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1)c1cccc(F)c1 ZINC000826061329 601354354 /nfs/dbraw/zinc/35/43/54/601354354.db2.gz KVUPTBORBJKRIX-ZBEGNZNMSA-N -1 0 327.311 3.170 20 30 EGEDRM N#Cc1c[nH]c(C(=O)O[C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)c1 ZINC000833067357 601430984 /nfs/dbraw/zinc/43/09/84/601430984.db2.gz ASHLBRDHBBDKOI-LBPRGKRZSA-N -1 0 339.134 3.176 20 30 EGEDRM Cc1c(C(=O)/C=C\c2ccc(C(=O)[O-])cc2)cnn1-c1ccccn1 ZINC000748440237 601444483 /nfs/dbraw/zinc/44/44/83/601444483.db2.gz ACKGBPOYWVTYDP-YFHOEESVSA-N -1 0 333.347 3.170 20 30 EGEDRM Cc1nn(-c2ccccc2)c(C)c1C(=O)/C=C\c1ccc(C(=O)[O-])[nH]1 ZINC000833011628 601445599 /nfs/dbraw/zinc/44/55/99/601445599.db2.gz NCRGAPXLYXOPBQ-LUAWRHEFSA-N -1 0 335.363 3.412 20 30 EGEDRM O=C([O-])c1cc(/C=C2\Oc3cc(Br)ccc3C2=O)c[nH]1 ZINC000833298165 601613373 /nfs/dbraw/zinc/61/33/73/601613373.db2.gz PJGCNQBWJPRLIR-QCDXTXTGSA-N -1 0 334.125 3.092 20 30 EGEDRM Cc1ccc(C#N)cc1NC(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000832910633 601622759 /nfs/dbraw/zinc/62/27/59/601622759.db2.gz WZNPAKJQXSATBI-SUMWQHHRSA-N -1 0 337.379 3.450 20 30 EGEDRM COc1ccc(OC)c(C=NOCc2ccc(C(=O)[O-])c(F)c2)c1 ZINC000832435234 601631179 /nfs/dbraw/zinc/63/11/79/601631179.db2.gz BFMLIIPEENMLJS-UHFFFAOYSA-N -1 0 333.315 3.092 20 30 EGEDRM C[C@@H]1CN(C(=O)c2ccccc2-c2ccccc2C#N)C[C@@H]1C(=O)[O-] ZINC000828400933 601703825 /nfs/dbraw/zinc/70/38/25/601703825.db2.gz DEDIXYHAFGMIKQ-ACJLOTCBSA-N -1 0 334.375 3.018 20 30 EGEDRM Cc1cc(C#N)ccc1Oc1ccc(C(=O)OCCNC(=O)[O-])cc1 ZINC000832859288 601770303 /nfs/dbraw/zinc/77/03/03/601770303.db2.gz OJCQOZALVMMZQF-UHFFFAOYSA-N -1 0 340.335 3.083 20 30 EGEDRM Cc1cccc(C)c1N=C1NC(=O)/C(=C/c2c[nH]c(C(=O)[O-])c2)S1 ZINC000832963998 601789551 /nfs/dbraw/zinc/78/95/51/601789551.db2.gz BMTCJFBEYYUVGU-QPEQYQDCSA-N -1 0 341.392 3.221 20 30 EGEDRM O=C([O-])c1cc(/C=C2/Cc3ccc(OC(F)(F)F)cc3C2=O)c[nH]1 ZINC000833297826 601794483 /nfs/dbraw/zinc/79/44/83/601794483.db2.gz JZZAQRFFWADYBM-KMKOMSMNSA-N -1 0 337.253 3.434 20 30 EGEDRM N#Cc1cc(F)c(C(=O)Oc2ccc(SCC(=O)[O-])cc2)c(F)c1 ZINC000833069548 601878639 /nfs/dbraw/zinc/87/86/39/601878639.db2.gz FISANEOCSNVQSJ-UHFFFAOYSA-N -1 0 349.314 3.232 20 30 EGEDRM CCOC(=O)c1ccc(C#N)c(SCc2ccsc2C(=O)[O-])n1 ZINC000829878227 601893420 /nfs/dbraw/zinc/89/34/20/601893420.db2.gz NQLGEIAPOUFERG-UHFFFAOYSA-N -1 0 348.405 3.182 20 30 EGEDRM C=CCCOCC(=O)O[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000825676125 602084192 /nfs/dbraw/zinc/08/41/92/602084192.db2.gz VWOUBOHSFFKPRS-CYBMUJFWSA-N -1 0 333.167 3.255 20 30 EGEDRM C[C@@H](Oc1ccc(/C=C\C(=O)c2ccc3c(c2)OCO3)cc1)C(=O)[O-] ZINC000794689807 602104999 /nfs/dbraw/zinc/10/49/99/602104999.db2.gz FDJYIVZOULGTRR-HXUAIIEXSA-N -1 0 340.331 3.163 20 30 EGEDRM C[C@@H](Oc1ccc(/C=C/C(=O)c2ccc3c(c2)COC3)cc1)C(=O)[O-] ZINC000794698777 602111684 /nfs/dbraw/zinc/11/16/84/602111684.db2.gz BUICLWDQJFCTHX-QGQQYVBWSA-N -1 0 338.359 3.465 20 30 EGEDRM CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000819948453 602247220 /nfs/dbraw/zinc/24/72/20/602247220.db2.gz YNDJGVQMVRAMCH-UHFFFAOYSA-N -1 0 342.326 3.192 20 30 EGEDRM COc1cc(F)cc(NN=C(C)c2ccc(OCC(=O)[O-])cc2)c1 ZINC000832010746 602312615 /nfs/dbraw/zinc/31/26/15/602312615.db2.gz NJAMLNVEUAYAFF-UHFFFAOYSA-N -1 0 332.331 3.134 20 30 EGEDRM CN(C(=O)[O-])c1ccccc1C(=O)OCc1cc(F)ccc1C#N ZINC000830519816 602328641 /nfs/dbraw/zinc/32/86/41/602328641.db2.gz WUIPWSVWTLUWAJ-UHFFFAOYSA-N -1 0 328.299 3.169 20 30 EGEDRM CC(C)(C(=O)[O-])[C@H](NC(=O)c1cccc(CC#N)c1)c1ccccc1 ZINC000826102877 604382926 /nfs/dbraw/zinc/38/29/26/604382926.db2.gz KNZXPNCNHWKHLF-QGZVFWFLSA-N -1 0 336.391 3.335 20 30 EGEDRM CC(C)(C(=O)[O-])[C@@H](NC(=O)c1cc(C#N)cs1)c1ccccc1 ZINC000826103784 604385663 /nfs/dbraw/zinc/38/56/63/604385663.db2.gz XDFIYADJGZNWSE-AWEZNQCLSA-N -1 0 328.393 3.202 20 30 EGEDRM C[C@H](Sc1ccccc1C(=O)Oc1ccc(C#N)cc1F)C(=O)[O-] ZINC000827922339 604394165 /nfs/dbraw/zinc/39/41/65/604394165.db2.gz PNHDCOKJBHPLOD-JTQLQIEISA-N -1 0 345.351 3.482 20 30 EGEDRM C=C(C)[C@@H](CC(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C)OCC ZINC000833368004 604545680 /nfs/dbraw/zinc/54/56/80/604545680.db2.gz ZFSXIEBPBGEKAA-MRXNPFEDSA-N -1 0 335.400 3.482 20 30 EGEDRM CN1CCCN(Cc2cccc(C(=O)[O-])c2C#N)c2cc(F)ccc21 ZINC000833697100 604615834 /nfs/dbraw/zinc/61/58/34/604615834.db2.gz AUSLAFCAIDCJFU-UHFFFAOYSA-N -1 0 339.370 3.242 20 30 EGEDRM COc1ccc(/C=C\C(=O)c2ccc(C(=O)[O-])cc2)c(OC)c1OC ZINC000832280332 604627128 /nfs/dbraw/zinc/62/71/28/604627128.db2.gz BHXSFKMWMDTDSY-NTMALXAHSA-N -1 0 342.347 3.307 20 30 EGEDRM CC(=NNC(=S)NCc1ccccc1)[C@@H](C)CCCCC(=O)[O-] ZINC000814714581 604634861 /nfs/dbraw/zinc/63/48/61/604634861.db2.gz MYPMHQRMLXJTSC-ZDUSSCGKSA-N -1 0 335.473 3.308 20 30 EGEDRM C=CCOc1ccc(CN2CCSC[C@@H]2CC(=O)[O-])cc1Cl ZINC000833378147 604657374 /nfs/dbraw/zinc/65/73/74/604657374.db2.gz YUKPBCLUBXSDGS-ZDUSSCGKSA-N -1 0 341.860 3.297 20 30 EGEDRM CC(N=Nc1ccc(C(=O)[O-])cn1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000763377245 604667525 /nfs/dbraw/zinc/66/75/25/604667525.db2.gz NOFDUGAXWIBWEV-UHFFFAOYSA-N -1 0 334.719 3.178 20 30 EGEDRM C=CCc1ccccc1OS(=O)(=O)c1ccc(F)cc1C(=O)[O-] ZINC000833379370 604680031 /nfs/dbraw/zinc/68/00/31/604680031.db2.gz BCVHBDQWPJWQCW-UHFFFAOYSA-N -1 0 336.340 3.020 20 30 EGEDRM CC(C)C[C@H](NC(=O)[O-])C(=O)OCc1ccccc1C(C)(C)C#N ZINC000826807511 604690095 /nfs/dbraw/zinc/69/00/95/604690095.db2.gz OLIUFVYQZCLOCV-HNNXBMFYSA-N -1 0 332.400 3.213 20 30 EGEDRM C=C[C@@H](CC(=O)OCC(=O)c1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000833370637 604730396 /nfs/dbraw/zinc/73/03/96/604730396.db2.gz FOZKRVUZCVMFLV-AWEZNQCLSA-N -1 0 338.359 3.471 20 30 EGEDRM C[C@@H](Oc1ccc(/C=C/C(=O)c2ccc(Cl)nc2)cc1)C(=O)[O-] ZINC000794703593 604743904 /nfs/dbraw/zinc/74/39/04/604743904.db2.gz TYSNZQUCNCHAIV-SOZJPDODSA-N -1 0 331.755 3.483 20 30 EGEDRM N#Cc1ccc(/C=C\C(=O)c2ccc(OCC(=O)[O-])cc2)c(F)c1 ZINC000833073198 604772311 /nfs/dbraw/zinc/77/23/11/604772311.db2.gz XAGHRBHAKWRNHM-YVMONPNESA-N -1 0 325.295 3.057 20 30 EGEDRM C[C@@H](C#N)CNN=Cc1ccccc1OCc1ccc(C(=O)[O-])cc1 ZINC000825966525 604791847 /nfs/dbraw/zinc/79/18/47/604791847.db2.gz GDPSCJVJBCSIHH-AWEZNQCLSA-N -1 0 337.379 3.047 20 30 EGEDRM C=CCCC[C@@H](C)NC(=O)Nc1ccc(C(=O)[O-])c(C(=O)OC)c1 ZINC000833374352 605077034 /nfs/dbraw/zinc/07/70/34/605077034.db2.gz YSKPAXOJFDVRNJ-LLVKDONJSA-N -1 0 334.372 3.038 20 30 EGEDRM CC(=[NH+][N-]c1ccccc1C(=O)[O-])c1cccc(N2CCOCC2)c1 ZINC000812446087 605099175 /nfs/dbraw/zinc/09/91/75/605099175.db2.gz MLFQIULAKLOLGV-UHFFFAOYSA-N -1 0 339.395 3.058 20 30 EGEDRM C[C@@H](Nc1ccc(NC(=O)[O-])c(F)c1)C(=O)Nc1ccccc1C#N ZINC000833526964 605261800 /nfs/dbraw/zinc/26/18/00/605261800.db2.gz XEAJJJKMKPFLRG-SNVBAGLBSA-N -1 0 342.330 3.226 20 30 EGEDRM C=CCOc1cccnc1C(=O)OCc1cc(C(=O)[O-])ccc1Cl ZINC000833378230 605819195 /nfs/dbraw/zinc/81/91/95/605819195.db2.gz BGXHDDPXBSBOTF-UHFFFAOYSA-N -1 0 347.754 3.355 20 30 EGEDRM COc1ccc2c(c1)CC/C(=C/c1ccc(OCC(=O)[O-])cc1)C2=O ZINC000008321515 1291102194 /nfs/dbraw/zinc/10/21/94/1291102194.db2.gz OTTAFARUUFERHR-GDNBJRDFSA-N -1 0 338.359 3.371 20 30 EGEDRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)c1cccc(C(F)(F)F)c1 ZINC000042291150 1291439436 /nfs/dbraw/zinc/43/94/36/1291439436.db2.gz WKWHRYUHYUNNJW-UHFFFAOYSA-N -1 0 348.302 3.004 20 30 EGEDRM CC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2ccc(C)s2)s1 ZINC000042318436 1291440659 /nfs/dbraw/zinc/44/06/59/1291440659.db2.gz IWNMEVZBUUFPMF-UHFFFAOYSA-N -1 0 329.424 3.014 20 30 EGEDRM CCCc1ccc(S(=O)(=O)[N-]C(=O)c2sc(C)nc2C)cc1 ZINC000045098664 1291505471 /nfs/dbraw/zinc/50/54/71/1291505471.db2.gz YHJIGSVAERYAEX-UHFFFAOYSA-N -1 0 338.454 3.406 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(OC(F)F)cc2)cc1 ZINC000046927491 1291556635 /nfs/dbraw/zinc/55/66/35/1291556635.db2.gz PLTCLWBENWKBCC-UHFFFAOYSA-N -1 0 341.335 3.290 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)COc2ccc(C)c(C)c2)cc1 ZINC000046927454 1291556652 /nfs/dbraw/zinc/55/66/52/1291556652.db2.gz QOXNBPVXFYOFKM-UHFFFAOYSA-N -1 0 333.409 3.336 20 30 EGEDRM Cc1[nH]c2ccccc2c1CC(=O)[N-]S(=O)(=O)c1ccccc1 ZINC000048406079 1291603354 /nfs/dbraw/zinc/60/33/54/1291603354.db2.gz GMQABEXXYLLUND-UHFFFAOYSA-N -1 0 328.393 3.364 20 30 EGEDRM CCC(CC)C(=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000048423833 1291604816 /nfs/dbraw/zinc/60/48/16/1291604816.db2.gz NXIQISXKXDEPSY-UHFFFAOYSA-N -1 0 334.781 3.330 20 30 EGEDRM O=C(COc1ccc(F)c(Cl)c1)[N-]S(=O)(=O)c1cccs1 ZINC000048449247 1291605793 /nfs/dbraw/zinc/60/57/93/1291605793.db2.gz KAQJUNLLQSTDSQ-UHFFFAOYSA-N -1 0 349.792 3.265 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc3ccccc3c2)cc1 ZINC000048496786 1291607859 /nfs/dbraw/zinc/60/78/59/1291607859.db2.gz OERSPTAVJIYVDC-UHFFFAOYSA-N -1 0 336.372 3.405 20 30 EGEDRM CC(C)c1cccc(O[C@@H](C)C(=O)[N-]S(=O)(=O)c2cccnc2)c1 ZINC000048532604 1291610251 /nfs/dbraw/zinc/61/02/51/1291610251.db2.gz LTGPYTJKVLPQEA-ZDUSSCGKSA-N -1 0 348.424 3.318 20 30 EGEDRM CCCCS(=O)(=O)[N-]C(=O)c1occc1COc1ccccc1 ZINC000048553748 1291611035 /nfs/dbraw/zinc/61/10/35/1291611035.db2.gz GWIUWXLEMYCNGY-UHFFFAOYSA-N -1 0 337.397 3.293 20 30 EGEDRM COCc1cccc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCC3)c1 ZINC000048612455 1291613661 /nfs/dbraw/zinc/61/36/61/1291613661.db2.gz WEJHHLVWZPVWIA-UHFFFAOYSA-N -1 0 345.420 3.015 20 30 EGEDRM N#Cc1cccc(S(=O)(=O)[N-]C(=O)CCCc2ccccc2)c1 ZINC000048608458 1291613673 /nfs/dbraw/zinc/61/36/73/1291613673.db2.gz AELNLPKBFLCCMW-UHFFFAOYSA-N -1 0 328.393 3.226 20 30 EGEDRM CC(C)S(=O)(=O)[N-]C(=O)c1ccc(Br)cc1Cl ZINC000049417538 1291628779 /nfs/dbraw/zinc/62/87/79/1291628779.db2.gz PKJXXDIYTIGVCM-UHFFFAOYSA-N -1 0 340.626 3.145 20 30 EGEDRM O=C([N-]S(=O)(=O)N1CCCC1)c1sccc1-c1ccccc1 ZINC000052792943 1291712213 /nfs/dbraw/zinc/71/22/13/1291712213.db2.gz CCNKQRLBRGFMKG-UHFFFAOYSA-N -1 0 336.438 3.060 20 30 EGEDRM N#CC(=C([O-])C=Cc1ccc2c(c1)OCO2)c1nc2ccccc2o1 ZINC000054735027 1291761858 /nfs/dbraw/zinc/76/18/58/1291761858.db2.gz IAAWBRWDMAKLID-VUDGCMKMSA-N -1 0 332.315 3.446 20 30 EGEDRM O=C([N-]S(=O)(=O)C1=Cc2ccccc2CC1)c1ccc(F)cc1 ZINC000058035173 1291875018 /nfs/dbraw/zinc/87/50/18/1291875018.db2.gz YQIRHRBIYZNKFT-UHFFFAOYSA-N -1 0 331.368 3.447 20 30 EGEDRM COc1cccc(S(=O)(=O)[N-]C(=O)c2cc3cc(C)ccc3o2)c1 ZINC000058188013 1291882549 /nfs/dbraw/zinc/88/25/49/1291882549.db2.gz QISWIWDVKQKSST-UHFFFAOYSA-N -1 0 345.376 3.443 20 30 EGEDRM COc1ccc(C(=O)/C=C/c2ccc(OCCC(=O)[O-])cc2)cc1 ZINC000058984064 1291911346 /nfs/dbraw/zinc/91/13/46/1291911346.db2.gz ADMKJPKGHPPCAO-NYYWCZLTSA-N -1 0 326.348 3.445 20 30 EGEDRM Cc1ccc(CCCCC(=O)[N-]S(=O)(=O)c2cccnc2)cc1 ZINC000064099906 1292041406 /nfs/dbraw/zinc/04/14/06/1292041406.db2.gz RENHXIFOYYDYAL-UHFFFAOYSA-N -1 0 332.425 3.448 20 30 EGEDRM Cc1ccc([N+](=O)[O-])cc1C(=O)[N-]S(=O)(=O)C=Cc1ccccc1 ZINC000065644072 1292083662 /nfs/dbraw/zinc/08/36/62/1292083662.db2.gz ITUPKNLXDYVITF-MDZDMXLPSA-N -1 0 346.364 3.209 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)Cc2ccc(F)cc2)c(F)c1 ZINC000075040360 1292380857 /nfs/dbraw/zinc/38/08/57/1292380857.db2.gz DIAUFOYUMJUJOU-UHFFFAOYSA-N -1 0 325.336 3.161 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)CCCc1cccc(C(F)(F)F)c1 ZINC000828158501 1292437045 /nfs/dbraw/zinc/43/70/45/1292437045.db2.gz XYITXZBNDDUMTB-UHFFFAOYSA-N -1 0 329.318 3.127 20 30 EGEDRM C[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000076755883 1292439746 /nfs/dbraw/zinc/43/97/46/1292439746.db2.gz GOMDPZNZURTBBY-MNOVXSKESA-N -1 0 326.374 3.066 20 30 EGEDRM C[C@@H](CC(=O)c1cccc(F)c1)C(=O)[N-]S(=O)(=O)c1ccccc1 ZINC000076755527 1292439923 /nfs/dbraw/zinc/43/99/23/1292439923.db2.gz QHJNXTKIAUWEEC-LBPRGKRZSA-N -1 0 349.383 3.380 20 30 EGEDRM O=C([N-]S(=O)(=O)c1cccs1)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000076756680 1292440178 /nfs/dbraw/zinc/44/01/78/1292440178.db2.gz IJGSSXFGVITLAG-NXEZZACHSA-N -1 0 343.376 3.475 20 30 EGEDRM COc1cccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2c2ccccc2C)c1 ZINC000077942186 1292491583 /nfs/dbraw/zinc/49/15/83/1292491583.db2.gz PHLCXRNHQOMULS-DLBZAZTESA-N -1 0 345.420 3.453 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]C(=O)CCC2CCC2)ccc1[N+](=O)[O-] ZINC000079154031 1292544266 /nfs/dbraw/zinc/54/42/66/1292544266.db2.gz XGYIPWYYUQFCBM-UHFFFAOYSA-N -1 0 326.374 3.129 20 30 EGEDRM CC1(C)C(C(=O)[N-]S(=O)(=O)c2cc(F)cc([N+](=O)[O-])c2)C1(C)C ZINC000080282449 1292592159 /nfs/dbraw/zinc/59/21/59/1292592159.db2.gz BMCZFXUTIMBTAT-UHFFFAOYSA-N -1 0 344.364 3.061 20 30 EGEDRM O=C(CC[C@@H]1CCCCO1)[N-]S(=O)(=O)Cc1ccccc1Cl ZINC000083791951 1292690281 /nfs/dbraw/zinc/69/02/81/1292690281.db2.gz ZQNZRGKCKCTEKB-ZDUSSCGKSA-N -1 0 345.848 3.476 20 30 EGEDRM CCc1c(C(=O)[N-]S(=O)(=O)C2CCCC2)cnn1-c1ccccc1 ZINC000086056342 1292728453 /nfs/dbraw/zinc/72/84/53/1292728453.db2.gz YWEPYVRLTWYUAK-UHFFFAOYSA-N -1 0 347.440 3.012 20 30 EGEDRM Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCCO3)cc1 ZINC000091125730 1292820294 /nfs/dbraw/zinc/82/02/94/1292820294.db2.gz KXYAMSUQKSKOMD-UHFFFAOYSA-N -1 0 331.393 3.014 20 30 EGEDRM Cc1cc(F)ccc1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000091125428 1292820477 /nfs/dbraw/zinc/82/04/77/1292820477.db2.gz WKDRNKDATAEXFK-UHFFFAOYSA-N -1 0 349.383 3.153 20 30 EGEDRM CCC[C@H](C)CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000091125567 1292820847 /nfs/dbraw/zinc/82/08/47/1292820847.db2.gz IYRWLIVHOMBBAH-LBPRGKRZSA-N -1 0 325.430 3.483 20 30 EGEDRM O=C(Cc1ccc(F)cc1)[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000091125697 1292821351 /nfs/dbraw/zinc/82/13/51/1292821351.db2.gz VPNCSBMVTAJJKG-UHFFFAOYSA-N -1 0 349.383 3.039 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000094671410 1292943873 /nfs/dbraw/zinc/94/38/73/1292943873.db2.gz YAOHCSXLVQNGTK-UHFFFAOYSA-N -1 0 347.596 3.207 20 30 EGEDRM CC(C)C[C@@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000107022672 1293058350 /nfs/dbraw/zinc/05/83/50/1293058350.db2.gz YRPYUUOSKPVXQZ-LLVKDONJSA-N -1 0 342.848 3.089 20 30 EGEDRM C=CCCC(=O)[N-]S(=O)(=O)c1ccc(OC(C)C)c2ccccc21 ZINC000113674808 1293155167 /nfs/dbraw/zinc/15/51/67/1293155167.db2.gz SYHYYPROTVEUJU-UHFFFAOYSA-N -1 0 347.436 3.398 20 30 EGEDRM CC(C)NC(=O)C(C#N)=C([O-])c1ccc([C@H](C)C(F)(F)F)cc1 ZINC000835064158 1293197019 /nfs/dbraw/zinc/19/70/19/1293197019.db2.gz FAULPPPNOALWGI-GXFFZTMASA-N -1 0 326.318 3.199 20 30 EGEDRM CC(C)(C)c1ncc(C([O-])=C(C#N)C(=O)NC2CCCCC2)s1 ZINC000119901563 1293293689 /nfs/dbraw/zinc/29/36/89/1293293689.db2.gz GPGOIGUHXMXIRE-GFCCVEGCSA-N -1 0 333.457 3.212 20 30 EGEDRM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])c1cccc2c1OCO2 ZINC000120983720 1293349732 /nfs/dbraw/zinc/34/97/32/1293349732.db2.gz YJBNNQBWTAUPGP-CQSZACIVSA-N -1 0 346.342 3.410 20 30 EGEDRM N#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000122331389 1293409392 /nfs/dbraw/zinc/40/93/92/1293409392.db2.gz LFWCZIZUGVYWGP-UHFFFAOYSA-N -1 0 346.339 3.275 20 30 EGEDRM N#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000122357436 1293410156 /nfs/dbraw/zinc/41/01/56/1293410156.db2.gz RJANYHQRAOTFJO-UHFFFAOYSA-N -1 0 346.792 3.244 20 30 EGEDRM COc1ccc2c(c1)C(=O)/C(=C\c1ccc([N+](=O)[O-])c([O-])c1)CCO2 ZINC000122473841 1293414479 /nfs/dbraw/zinc/41/44/79/1293414479.db2.gz ZAZOUGXGYWSQPK-WQLSENKSSA-N -1 0 341.319 3.358 20 30 EGEDRM CN(C)c1ccc(C#N)c([N-]S(=O)(=O)c2cccc(Cl)c2)c1 ZINC000123988429 1293462924 /nfs/dbraw/zinc/46/29/24/1293462924.db2.gz CYXVIHCQNWZREQ-UHFFFAOYSA-N -1 0 335.816 3.078 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)C(=O)N2CCCC2)c(C)n1Cc1ccccc1 ZINC000124573246 1293478751 /nfs/dbraw/zinc/47/87/51/1293478751.db2.gz AJHJWKOACHQDJR-IBGZPJMESA-N -1 0 349.434 3.098 20 30 EGEDRM Cc1ccc(-c2cncc(C([O-])=C(C#N)C(=O)NC3CCCC3)c2)cc1 ZINC000124598990 1293480013 /nfs/dbraw/zinc/48/00/13/1293480013.db2.gz KTUUHYBWWAMKGZ-LJQANCHMSA-N -1 0 347.418 3.438 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1c(Cl)nc2ccccn21 ZINC000125678284 1293514694 /nfs/dbraw/zinc/51/46/94/1293514694.db2.gz MAHACPVQWGZFIH-LBPRGKRZSA-N -1 0 346.818 3.007 20 30 EGEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1ccc2ccccc2c1 ZINC000126818807 1293545443 /nfs/dbraw/zinc/54/54/43/1293545443.db2.gz TXYQSZBLMURLFM-IBGZPJMESA-N -1 0 328.371 3.479 20 30 EGEDRM Cc1c2ccc3ccccc3c2oc1C([O-])=C(C#N)C(=O)NC1CC1 ZINC000129144415 1293615290 /nfs/dbraw/zinc/61/52/90/1293615290.db2.gz IYWVGBWJCKFERR-MRXNPFEDSA-N -1 0 332.359 3.496 20 30 EGEDRM CCCCCCOc1ccc(C([O-])=C(C#N)C(=O)NC2CC2)cc1 ZINC000129369620 1293622189 /nfs/dbraw/zinc/62/21/89/1293622189.db2.gz SBSGBPUBZRGOHA-QGZVFWFLSA-N -1 0 328.412 3.247 20 30 EGEDRM C#Cc1cccc([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000131249578 1293684550 /nfs/dbraw/zinc/68/45/50/1293684550.db2.gz VCQOALUGGHHSQA-UHFFFAOYSA-N -1 0 336.756 3.030 20 30 EGEDRM C=CC[C@@H](NC(=O)CSc1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000150203647 1293889208 /nfs/dbraw/zinc/88/92/08/1293889208.db2.gz CJLZNXYHCURCPS-SNVBAGLBSA-N -1 0 334.224 3.231 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)C(=O)NC2CCCC2)ccc1Br ZINC000156397064 1294142527 /nfs/dbraw/zinc/14/25/27/1294142527.db2.gz AIPBTGCTHNTGNH-ZDUSSCGKSA-N -1 0 349.228 3.139 20 30 EGEDRM COc1cccc(NC(=O)C(C#N)=C([O-])c2csc(C(C)C)n2)c1 ZINC000171146090 1294396373 /nfs/dbraw/zinc/39/63/73/1294396373.db2.gz DMFWAICMEOUJCY-CYBMUJFWSA-N -1 0 343.408 3.236 20 30 EGEDRM Cc1ccccc1-c1nc(C([O-])=C(C#N)C(=O)N2CCCC2)cs1 ZINC000171363692 1294403761 /nfs/dbraw/zinc/40/37/61/1294403761.db2.gz VDAYXHBDNOPYHZ-AWEZNQCLSA-N -1 0 339.420 3.063 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1occc1Br ZINC000176087291 1294588819 /nfs/dbraw/zinc/58/88/19/1294588819.db2.gz IWLCRMRLIDNYEC-SNVBAGLBSA-N -1 0 341.205 3.061 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)c2ccc(OCc3ccccc3)nc2)c1 ZINC000176406422 1294603409 /nfs/dbraw/zinc/60/34/09/1294603409.db2.gz BZXBOBXHVBJPMD-UHFFFAOYSA-N -1 0 345.358 3.490 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)CCC(=O)c2ccc(F)cc2F)c1 ZINC000176402160 1294603992 /nfs/dbraw/zinc/60/39/92/1294603992.db2.gz RFAZQECEWPHFSE-UHFFFAOYSA-N -1 0 330.290 3.144 20 30 EGEDRM CC1CCN(c2ccc(C(=O)Nc3cc(C#N)ccc3[O-])cn2)CC1 ZINC000176409420 1294605505 /nfs/dbraw/zinc/60/55/05/1294605505.db2.gz GWSDZUFKFBIWBB-UHFFFAOYSA-N -1 0 336.395 3.147 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)CCc2ccc(OC(F)F)cc2)c1 ZINC000176825411 1294636321 /nfs/dbraw/zinc/63/63/21/1294636321.db2.gz FBYDEBUXTXRJOC-UHFFFAOYSA-N -1 0 332.306 3.437 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)c2cccc(NC(=O)c3ccco3)c2)c1 ZINC000176833467 1294638323 /nfs/dbraw/zinc/63/83/23/1294638323.db2.gz IVDJTRKAVQHNOQ-UHFFFAOYSA-N -1 0 347.330 3.361 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2O[C@H](C)C#N)c(F)c1 ZINC000183131482 1295101015 /nfs/dbraw/zinc/10/10/15/1295101015.db2.gz NCBVLZXNBHRLQA-GFCCVEGCSA-N -1 0 334.372 3.226 20 30 EGEDRM O=C(/C=C/c1cnn(Cc2ccc(F)cc2)c1)c1ccc(O)cc1[O-] ZINC000187212891 1295376183 /nfs/dbraw/zinc/37/61/83/1295376183.db2.gz VVYMATODOZTKFG-FPYGCLRLSA-N -1 0 338.338 3.378 20 30 EGEDRM C=CCn1c(=O)c2ccc(C(=O)NCC(C)(C)CC)cc2[n-]c1=S ZINC000192225085 1295744735 /nfs/dbraw/zinc/74/47/35/1295744735.db2.gz TWOMYIDXUXQDJM-UHFFFAOYSA-N -1 0 345.468 3.037 20 30 EGEDRM O=C(/C=C/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(F)cc1[O-] ZINC000193047590 1295830042 /nfs/dbraw/zinc/83/00/42/1295830042.db2.gz NUQSQLPUHICVSG-QHHAFSJGSA-N -1 0 332.243 3.244 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1csc(CC(C)C)n1 ZINC000195285787 1296052529 /nfs/dbraw/zinc/05/25/29/1296052529.db2.gz YPDRETNYLZWPKU-ZDUSSCGKSA-N -1 0 335.473 3.361 20 30 EGEDRM O=C(/C=C\c1ccn(-c2ccccc2)n1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000255301858 1296517106 /nfs/dbraw/zinc/51/71/06/1296517106.db2.gz FRCDJVRDQRGOMG-CLFYSBASSA-N -1 0 335.319 3.382 20 30 EGEDRM C[C@H](Oc1cccc(/C=C\C(=O)c2ccc(C#N)s2)c1)C(=O)[O-] ZINC000255371767 1296525874 /nfs/dbraw/zinc/52/58/74/1296525874.db2.gz UVYYDPMQIJYRGX-XOIDGJRKSA-N -1 0 327.361 3.368 20 30 EGEDRM COCc1nc2cc(N=Cc3cc([N+](=O)[O-])ccc3[O-])ccc2o1 ZINC000255617189 1296553592 /nfs/dbraw/zinc/55/35/92/1296553592.db2.gz RWNFKQZONLWVTO-UHFFFAOYSA-N -1 0 327.296 3.339 20 30 EGEDRM O=C1CSc2ccc(N=Cc3cc([N+](=O)[O-])ccc3[O-])cc2N1 ZINC000255720594 1296564387 /nfs/dbraw/zinc/56/43/87/1296564387.db2.gz YEFZEYGRHLLDPR-UHFFFAOYSA-N -1 0 329.337 3.095 20 30 EGEDRM C=CCC[C@H](NC(=O)c1cc(C)c(OC(F)F)c(C)c1)C(=O)[O-] ZINC000262853874 1296650841 /nfs/dbraw/zinc/65/08/41/1296650841.db2.gz ICEQCDGSHRSJGD-LBPRGKRZSA-N -1 0 327.327 3.054 20 30 EGEDRM C=CCC[C@H](NC(=O)CCSc1ccc(Cl)cc1)C(=O)[O-] ZINC000262982501 1296654731 /nfs/dbraw/zinc/65/47/31/1296654731.db2.gz UNEVBRIGLSKAHO-ZDUSSCGKSA-N -1 0 327.833 3.358 20 30 EGEDRM C#CCOc1cc(F)ccc1NC(=O)CC1(C(=O)[O-])CCCCC1 ZINC000872939773 1297180762 /nfs/dbraw/zinc/18/07/62/1297180762.db2.gz OGKGVZOCLTVHJD-UHFFFAOYSA-N -1 0 333.359 3.201 20 30 EGEDRM C[C@@H](C(=O)N=c1[nH][n-]c(C2CC2)c1C#N)c1ccc(C(F)(F)F)cc1 ZINC000359728464 1297491014 /nfs/dbraw/zinc/49/10/14/1297491014.db2.gz WZURSJVXBIKAKA-SECBINFHSA-N -1 0 348.328 3.342 20 30 EGEDRM CCN(C[C@H](C)C#N)C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-] ZINC000874072642 1297776740 /nfs/dbraw/zinc/77/67/40/1297776740.db2.gz UTXDFNKGNHKGGA-GFCCVEGCSA-N -1 0 326.352 3.086 20 30 EGEDRM O=C([O-])c1ccc(/C=C2\COc3c(cc(F)cc3[N+](=O)[O-])C2=O)cc1 ZINC000588425897 1298065460 /nfs/dbraw/zinc/06/54/60/1298065460.db2.gz UFNYYMCWGIBYSQ-VZUCSPMQSA-N -1 0 343.266 3.091 20 30 EGEDRM Cc1ccc(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([O-])c1 ZINC000588594682 1298090303 /nfs/dbraw/zinc/09/03/03/1298090303.db2.gz LBTNHYJKDADBFS-DAXSKMNVSA-N -1 0 328.280 3.413 20 30 EGEDRM Cc1cc(O)cc2c1C(=O)/C(=C\c1cccc(OCCC(=O)[O-])c1)O2 ZINC000746684944 1298641831 /nfs/dbraw/zinc/64/18/31/1298641831.db2.gz VNGVSFIUPCHNSI-CXUHLZMHSA-N -1 0 340.331 3.170 20 30 EGEDRM C=CCc1cc(C=NNc2cccc(C(=O)[O-])c2)cc(OC)c1O ZINC000747041620 1298714431 /nfs/dbraw/zinc/71/44/31/1298714431.db2.gz YOUQXZSHSUIOET-UHFFFAOYSA-N -1 0 326.352 3.274 20 30 EGEDRM CCn1cc(/C=C/C(=O)c2cc(C(=O)[O-])ccc2OC(C)C)cn1 ZINC000876498229 1298795190 /nfs/dbraw/zinc/79/51/90/1298795190.db2.gz RXASZWRGQTURCS-FNORWQNLSA-N -1 0 328.368 3.285 20 30 EGEDRM CCCn1cc(/C=C/C(=O)c2cc(C(=O)[O-])ccc2OC(C)C)nn1 ZINC000876498347 1298795297 /nfs/dbraw/zinc/79/52/97/1298795297.db2.gz VOXGNSKZNYTEQV-VOTSOKGWSA-N -1 0 343.383 3.070 20 30 EGEDRM O=C(/C=C/c1ccc([N+](=O)[O-])c([O-])c1)c1ccc2c(c1)CCC(=O)N2 ZINC000748149028 1298937287 /nfs/dbraw/zinc/93/72/87/1298937287.db2.gz YANZOVZIWQFYNO-FARCUNLSSA-N -1 0 338.319 3.081 20 30 EGEDRM COc1ccc2c(c1)OCC2=NNc1ccc(Cl)c(C(=O)[O-])c1 ZINC000749157034 1299155963 /nfs/dbraw/zinc/15/59/63/1299155963.db2.gz DBKYREWUJVFPSX-UHFFFAOYSA-N -1 0 332.743 3.255 20 30 EGEDRM C[C@H](C#N)CSc1ccccc1[N-]C(=S)NC[C@H]1CCOC1 ZINC000749704873 1299258726 /nfs/dbraw/zinc/25/87/26/1299258726.db2.gz LREHYJLHWUBNQE-CHWSQXEVSA-N -1 0 335.498 3.261 20 30 EGEDRM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2cccc(C)c2C#N)n[nH]1 ZINC000749771709 1299268481 /nfs/dbraw/zinc/26/84/81/1299268481.db2.gz PMZQCZWRKGUBBF-LBPRGKRZSA-N -1 0 332.429 3.294 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])c(/C=N\CCc2ccn(-c3ccccc3)n2)c1 ZINC000750949129 1299485439 /nfs/dbraw/zinc/48/54/39/1299485439.db2.gz SHGBFOMMUAGKFI-UYRXBGFRSA-N -1 0 336.351 3.148 20 30 EGEDRM Cc1sc2ncnc(NN=Cc3cc([O-])ccc3[N+](=O)[O-])c2c1C ZINC000751129596 1299513058 /nfs/dbraw/zinc/51/30/58/1299513058.db2.gz IMTRMNSGUZQMBZ-UHFFFAOYSA-N -1 0 343.368 3.368 20 30 EGEDRM CCOC(=O)C(F)(F)[C@H]1CCC(N=Nc2ccccc2C(=O)[O-])C1 ZINC000752720726 1299782265 /nfs/dbraw/zinc/78/22/65/1299782265.db2.gz MLZFKFQGBIRGTQ-JTQLQIEISA-N -1 0 340.326 3.151 20 30 EGEDRM CC(N=Nc1oc(C(C)(C)C)nc1C#N)c1cc(C(=O)[O-])ccc1O ZINC000757461720 1300671520 /nfs/dbraw/zinc/67/15/20/1300671520.db2.gz PZVYAKLMRYTAOW-UHFFFAOYSA-N -1 0 342.355 3.084 20 30 EGEDRM Cc1ccc(O)c(C(=O)/C=C/c2cccc(O[C@H](C)C(=O)[O-])c2)c1 ZINC000757467739 1300672856 /nfs/dbraw/zinc/67/28/56/1300672856.db2.gz JGJCQYIUDVNMAA-BUUCAEBMSA-N -1 0 326.348 3.449 20 30 EGEDRM N#Cc1cccc(OCCCOC(=O)c2cc(F)c([O-])c(F)c2)c1 ZINC000759541516 1301109948 /nfs/dbraw/zinc/10/99/48/1301109948.db2.gz QVBFDRYPXNBBDG-UHFFFAOYSA-N -1 0 333.290 3.168 20 30 EGEDRM CN(C)[C@@H](C(=O)Nc1cc(C#N)ccc1[O-])c1c(F)cccc1Cl ZINC000759713363 1301147075 /nfs/dbraw/zinc/14/70/75/1301147075.db2.gz NAWWRTSOHIKBIS-MRXNPFEDSA-N -1 0 347.777 3.298 20 30 EGEDRM COc1cc(F)c(C(=O)/C=C\c2ccc([O-])c([N+](=O)[O-])c2)cc1OC ZINC000760271131 1301242335 /nfs/dbraw/zinc/24/23/35/1301242335.db2.gz YZSJMVMICKGUGW-HYXAFXHYSA-N -1 0 347.298 3.353 20 30 EGEDRM Cc1cc(Cl)cc(C([O-])=C(C#N)C(=O)NCc2ccccc2)c1 ZINC000763476518 1301911966 /nfs/dbraw/zinc/91/19/66/1301911966.db2.gz KHLBIBDDPHSSQO-INIZCTEOSA-N -1 0 326.783 3.287 20 30 EGEDRM Cc1nc2ccc(C([O-])=C(C#N)C(=O)NC3CCCCC3)cc2s1 ZINC000763934281 1301984047 /nfs/dbraw/zinc/98/40/47/1301984047.db2.gz YKPZEJMTGUKRNY-CQSZACIVSA-N -1 0 341.436 3.376 20 30 EGEDRM COCCC(N=Nc1ccc(Cl)c(C(=O)[O-])c1)C1CCOCC1 ZINC000764886266 1302159268 /nfs/dbraw/zinc/15/92/68/1302159268.db2.gz OXJAFRRHHIABTN-UHFFFAOYSA-N -1 0 340.807 3.269 20 30 EGEDRM CNc1c(C([O-])=C(C#N)c2nc3ccccc3n2C)cccc1[N+](=O)[O-] ZINC000765967439 1302357691 /nfs/dbraw/zinc/35/76/91/1302357691.db2.gz OZPBYBJDNPHTFN-GFCCVEGCSA-N -1 0 349.350 3.013 20 30 EGEDRM O=C(/C=C\c1cnc(N2CCCC2)nc1)c1ccc([O-])c(Cl)c1 ZINC000768751443 1302971496 /nfs/dbraw/zinc/97/14/96/1302971496.db2.gz AOCRCHXIIIUNBG-HYXAFXHYSA-N -1 0 329.787 3.332 20 30 EGEDRM CC(C)CN(CCC#N)C(=O)c1cccc(Br)c1[O-] ZINC000769725630 1303165308 /nfs/dbraw/zinc/16/53/08/1303165308.db2.gz TUOCPKUQYTZMPM-UHFFFAOYSA-N -1 0 325.206 3.167 20 30 EGEDRM C[C@@H](Oc1cccc(C(=O)/C=C/c2ccc(F)c(C#N)c2)c1)C(=O)[O-] ZINC000770574784 1303288048 /nfs/dbraw/zinc/28/80/48/1303288048.db2.gz ZTWFVOUIKWXERZ-WAFBPQNNSA-N -1 0 339.322 3.445 20 30 EGEDRM C=CCS(=O)(=O)[N-]C(=O)c1ccc(-c2ccc(C)c(C)c2)cc1F ZINC000772717844 1303568047 /nfs/dbraw/zinc/56/80/47/1303568047.db2.gz SMZUFVUCJBUSHW-UHFFFAOYSA-N -1 0 347.411 3.355 20 30 EGEDRM O=C(/C=C/c1cc([O-])ccc1[N+](=O)[O-])c1ccc2c(c1)CCC(=O)N2 ZINC000772805570 1303579272 /nfs/dbraw/zinc/57/92/72/1303579272.db2.gz ITTSOUGWIWQPRY-FARCUNLSSA-N -1 0 338.319 3.081 20 30 EGEDRM CC(C)(C)c1csc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])c1C#N ZINC000887294748 1303734009 /nfs/dbraw/zinc/73/40/09/1303734009.db2.gz KWOUNBXIYOVQCC-QOBDMFJFSA-N -1 0 344.436 3.379 20 30 EGEDRM Cc1c(C(=O)/C=C/c2cccc(C(=O)[O-])c2)nnn1-c1ccccc1 ZINC000774126389 1303776612 /nfs/dbraw/zinc/77/66/12/1303776612.db2.gz KYAYNDMLCDFWTH-ZHACJKMWSA-N -1 0 333.347 3.170 20 30 EGEDRM CC(C)Cn1ccc2c1cccc2C([O-])=C(C#N)C(=O)c1nccn1C ZINC000774143749 1303778967 /nfs/dbraw/zinc/77/89/67/1303778967.db2.gz VSKCJINXEYZSTM-INIZCTEOSA-N -1 0 348.406 3.236 20 30 EGEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1ccc(C(C)=O)o1)c1ccccc1 ZINC000774259447 1303791621 /nfs/dbraw/zinc/79/16/21/1303791621.db2.gz JCOVZMBRBCVLIO-CABCVRRESA-N -1 0 338.363 3.072 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1[N-][NH+]=C1CCCNc2ccccc21 ZINC000774396130 1303806201 /nfs/dbraw/zinc/80/62/01/1303806201.db2.gz YURHJIVWDTXBPV-UHFFFAOYSA-N -1 0 325.368 3.415 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])c(/C=N/C[C@H](O)c2cc(F)cc(Cl)c2)c1 ZINC000775741963 1304026818 /nfs/dbraw/zinc/02/68/18/1304026818.db2.gz UWADKFYGZDBNGC-CRIIERLBSA-N -1 0 338.722 3.245 20 30 EGEDRM O=C([O-])C(F)(F)Oc1ccc(/C=C/C(=O)c2cscn2)cc1 ZINC000776193666 1304109886 /nfs/dbraw/zinc/10/98/86/1304109886.db2.gz UJWPBNRKTOENFX-ZZXKWVIFSA-N -1 0 325.292 3.095 20 30 EGEDRM Cc1nc(C)c(C(C)N=Nc2oc(C(C)C)nc2C#N)cc1C(=O)[O-] ZINC000776723103 1304188160 /nfs/dbraw/zinc/18/81/60/1304188160.db2.gz CLMYKFMLPKITNU-UHFFFAOYSA-N -1 0 341.371 3.216 20 30 EGEDRM COc1ccc(C(=O)/C=C/c2ccc(O)c(C(=O)[O-])c2)cc1OC ZINC000779357926 1304561192 /nfs/dbraw/zinc/56/11/92/1304561192.db2.gz LFPIWDYLBUEVTN-ZZXKWVIFSA-N -1 0 328.320 3.004 20 30 EGEDRM N#CCOc1cccc(NCc2cc(Cl)cc([N+](=O)[O-])c2[O-])c1 ZINC000779587541 1304584502 /nfs/dbraw/zinc/58/45/02/1304584502.db2.gz AUYWURWRICNZGK-UHFFFAOYSA-N -1 0 333.731 3.468 20 30 EGEDRM CSc1ccccc1S(=O)(=O)[N-]c1cccc(OCC#N)c1 ZINC000780376604 1304683623 /nfs/dbraw/zinc/68/36/23/1304683623.db2.gz XCFKEJGMLDXJNV-UHFFFAOYSA-N -1 0 334.422 3.112 20 30 EGEDRM N#Cc1ccc(CNC(=O)c2cc(Cl)c3ccccc3c2[O-])nc1 ZINC000782027080 1304904092 /nfs/dbraw/zinc/90/40/92/1304904092.db2.gz GCHDRSGCBDCCPT-UHFFFAOYSA-N -1 0 337.766 3.395 20 30 EGEDRM C=CCCN(OCc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000783873299 1305156158 /nfs/dbraw/zinc/15/61/58/1305156158.db2.gz RUJMKLMISAKQRA-UHFFFAOYSA-N -1 0 342.351 3.451 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2csc(Cl)c2)n1 ZINC000786346408 1305562013 /nfs/dbraw/zinc/56/20/13/1305562013.db2.gz CSDMJYNUBDBERM-VIFPVBQESA-N -1 0 340.813 3.200 20 30 EGEDRM C#CC[C@H](NC(=O)c1nn(-c2cccc(F)c2)cc1[O-])c1ccccc1 ZINC000786464317 1305579801 /nfs/dbraw/zinc/57/98/01/1305579801.db2.gz ZJHMXMCEBPKBTO-KRWDZBQOSA-N -1 0 349.365 3.211 20 30 EGEDRM CC(C)c1ccc(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)cc1Cl ZINC000786460797 1305579865 /nfs/dbraw/zinc/57/98/65/1305579865.db2.gz YWKBMSMALNBSGK-UHFFFAOYSA-N -1 0 342.848 3.073 20 30 EGEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2csc(C(C)C)n2)c1 ZINC000786538638 1305592751 /nfs/dbraw/zinc/59/27/51/1305592751.db2.gz AMSYLLUMVRVSMG-AWEZNQCLSA-N -1 0 341.436 3.214 20 30 EGEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2cc3c(s2)CCC3)c1 ZINC000786550720 1305596437 /nfs/dbraw/zinc/59/64/37/1305596437.db2.gz QYVOGHOBYILEIV-OAHLLOKOSA-N -1 0 338.432 3.184 20 30 EGEDRM Cc1ccc(C([O-])=C(C#N)C(=O)NCc2ccc(F)c(F)c2)cc1F ZINC000786572258 1305602985 /nfs/dbraw/zinc/60/29/85/1305602985.db2.gz WTSUGQOVVMRIBP-ZDUSSCGKSA-N -1 0 346.308 3.051 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1N=NC(C)c1cnn(C(C)(C)C)c1C ZINC000787163034 1305698664 /nfs/dbraw/zinc/69/86/64/1305698664.db2.gz OTKQBJCKQPTTPB-UHFFFAOYSA-N -1 0 344.415 3.489 20 30 EGEDRM CC(C)c1nc(C#N)c(N=NC2CC[C@H](C(=O)[O-])c3ccccc32)o1 ZINC000789000358 1306061382 /nfs/dbraw/zinc/06/13/82/1306061382.db2.gz HWOVFZGYHBNOHC-ZDUSSCGKSA-N -1 0 338.367 3.448 20 30 EGEDRM C#CCOc1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2F)c1 ZINC000790054165 1306254255 /nfs/dbraw/zinc/25/42/55/1306254255.db2.gz VJZZURKTJBMUPK-UHFFFAOYSA-N -1 0 339.775 3.292 20 30 EGEDRM C[C@H](Oc1ccc(/C=C2\Oc3cc(F)ccc3C2=O)cc1)C(=O)[O-] ZINC000794712785 1309579595 /nfs/dbraw/zinc/57/95/95/1309579595.db2.gz KYAWYBSSEBZVCY-SYEOYNTFSA-N -1 0 328.295 3.294 20 30 EGEDRM COc1cc2c(cc1OC)C(=O)/C(=C/c1ccc([N+](=O)[O-])c([O-])c1)C2 ZINC000794961294 1309633898 /nfs/dbraw/zinc/63/38/98/1309633898.db2.gz MYTNWQQXVPUHFV-LFYBBSHMSA-N -1 0 341.319 3.140 20 30 EGEDRM CC(C)NC(=O)C(C#N)=C([O-])c1ccc2nc(-c3ccccc3)oc2c1 ZINC000796630424 1310050626 /nfs/dbraw/zinc/05/06/26/1310050626.db2.gz OXIWVJGWLWDSMT-OAHLLOKOSA-N -1 0 347.374 3.342 20 30 EGEDRM C=CCC(C)(C)C(=O)[N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC000797147527 1310146327 /nfs/dbraw/zinc/14/63/27/1310146327.db2.gz QTHJDNFBJPQVTI-UHFFFAOYSA-N -1 0 333.812 3.027 20 30 EGEDRM CC(C)c1c(Cl)ncnc1NN=Cc1ccc([O-])c([N+](=O)[O-])c1 ZINC000797404527 1310184778 /nfs/dbraw/zinc/18/47/78/1310184778.db2.gz PARUPLMGPXCESD-UHFFFAOYSA-N -1 0 335.751 3.313 20 30 EGEDRM C=CCn1c(=O)c2ccc(C(=O)NC(C)(C)C(C)C)cc2[n-]c1=S ZINC000797720425 1310236427 /nfs/dbraw/zinc/23/64/27/1310236427.db2.gz ZGJRBOLNGNECER-UHFFFAOYSA-N -1 0 345.468 3.036 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)NC[C@@H](C)c1c(Cl)cccc1Cl ZINC000797717808 1310236955 /nfs/dbraw/zinc/23/69/55/1310236955.db2.gz FZCBWVVYSOHYLK-SNVBAGLBSA-N -1 0 345.226 3.379 20 30 EGEDRM C#Cc1cccc(NC(=O)N2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)c1 ZINC000797737197 1310240601 /nfs/dbraw/zinc/24/06/01/1310240601.db2.gz TYNXSBBHIQMFEB-ROUUACIJSA-N -1 0 334.375 3.490 20 30 EGEDRM Cc1nc2cc([N-]S(=O)(=O)c3ccc(C#N)s3)ccc2s1 ZINC000797818237 1310252526 /nfs/dbraw/zinc/25/25/26/1310252526.db2.gz SNWZIZMFHSQJFK-UHFFFAOYSA-N -1 0 335.435 3.339 20 30 EGEDRM O=C(/C=C/c1cc([O-])ccc1[N+](=O)[O-])c1ccnn1-c1ccccc1 ZINC000798371298 1310349014 /nfs/dbraw/zinc/34/90/14/1310349014.db2.gz AWCJQAXLVJPOHN-RMKNXTFCSA-N -1 0 335.319 3.382 20 30 EGEDRM C=CC[C@@H](CC)[N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000798469812 1310367704 /nfs/dbraw/zinc/36/77/04/1310367704.db2.gz YMGIAHZLBMANOK-ZCFIWIBFSA-N -1 0 329.290 3.015 20 30 EGEDRM O=C([O-])Cn1cc(C=NNCCCc2ccccc2)c2ccccc21 ZINC000799878860 1310632758 /nfs/dbraw/zinc/63/27/58/1310632758.db2.gz IYTQNDRFLJOIII-UHFFFAOYSA-N -1 0 335.407 3.282 20 30 EGEDRM CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000899313190 1316990078 /nfs/dbraw/zinc/99/00/78/1316990078.db2.gz HDQBIHYUTFZAGH-CQSZACIVSA-N -1 0 346.431 3.366 20 30 EGEDRM COc1ccc(C(=O)[O-])cc1/C=C\C(=O)c1cnn(C2CCC2)c1 ZINC000899401718 1317020406 /nfs/dbraw/zinc/02/04/06/1317020406.db2.gz ZJDAWTIJVSBPEV-ALCCZGGFSA-N -1 0 326.352 3.211 20 30 EGEDRM O=C([O-])CCOc1ccc(/C=C\C(=O)c2cnn(C3CCC3)c2)cc1 ZINC000899408243 1317023351 /nfs/dbraw/zinc/02/33/51/1317023351.db2.gz XGIJGDZTOJXSNI-TWGQIWQCSA-N -1 0 340.379 3.358 20 30 EGEDRM CCCCCCCCOCC(=O)[N-]S(=O)(=O)c1sccc1C ZINC000802868932 1317051464 /nfs/dbraw/zinc/05/14/64/1317051464.db2.gz JONRWQTVXAFXPV-UHFFFAOYSA-N -1 0 347.502 3.239 20 30 EGEDRM N#CCC1(CNC(=O)NCc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000805425296 1317361576 /nfs/dbraw/zinc/36/15/76/1317361576.db2.gz NLYLVPZJBOQELJ-UHFFFAOYSA-N -1 0 328.199 3.192 20 30 EGEDRM COCCOc1cccc(/C=C2\CCc3occ(C(=O)[O-])c3C2=O)c1 ZINC000901513787 1317437534 /nfs/dbraw/zinc/43/75/34/1317437534.db2.gz DVDCTMJANLFWRX-UKTHLTGXSA-N -1 0 342.347 3.216 20 30 EGEDRM C=CCN(CC(=O)[O-])Cc1c(C)nn(Cc2ccccc2Cl)c1C ZINC000901586006 1317449267 /nfs/dbraw/zinc/44/92/67/1317449267.db2.gz IHXQUHVQWDGHBH-UHFFFAOYSA-N -1 0 347.846 3.274 20 30 EGEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N/Cc2nccc(C(F)F)n2)c1[O-] ZINC000806552801 1317499690 /nfs/dbraw/zinc/49/96/90/1317499690.db2.gz ZBFVRFVUQDTDHK-YAXRCOADSA-N -1 0 342.689 3.301 20 30 EGEDRM Cc1nn(C)c(/C=C/C(=O)c2cccc(C(=O)[O-])c2)c1Br ZINC000806559246 1317500761 /nfs/dbraw/zinc/50/07/61/1317500761.db2.gz XPIWXCZATSGJHT-VOTSOKGWSA-N -1 0 349.184 3.085 20 30 EGEDRM CCN(C(C)=O)c1nc(/C=C/C(=O)c2cccc(C(=O)[O-])c2)cs1 ZINC000806558696 1317501052 /nfs/dbraw/zinc/50/10/52/1317501052.db2.gz JGLPZJKTGQYSTJ-BQYQJAHWSA-N -1 0 344.392 3.110 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2ccc(-c3ccccc3)o2)CC1 ZINC000810986350 1318086340 /nfs/dbraw/zinc/08/63/40/1318086340.db2.gz WOPCDHJIEYQLOS-UHFFFAOYSA-N -1 0 331.393 3.115 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)/C=C(/C)c2cccc(Cl)c2)CC1 ZINC000810987011 1318088106 /nfs/dbraw/zinc/08/81/06/1318088106.db2.gz VHPWDBYYRCDSNB-BENRWUELSA-N -1 0 339.844 3.298 20 30 EGEDRM O=C([O-])COc1ccc(C=NOC/C=C/Cl)cc1Br ZINC000811672276 1318225930 /nfs/dbraw/zinc/22/59/30/1318225930.db2.gz VKSANXDYHMTFOB-FVYUFWRISA-N -1 0 348.580 3.016 20 30 EGEDRM C[C@@H](Oc1cccc(C(=O)/C=C/c2cccc(F)c2C#N)c1)C(=O)[O-] ZINC000811689548 1318226630 /nfs/dbraw/zinc/22/66/30/1318226630.db2.gz GOJFVHDXCVOQLH-IDVQTMNDSA-N -1 0 339.322 3.445 20 30 EGEDRM N#Cc1c(F)cccc1/C=C/C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000811686515 1318226821 /nfs/dbraw/zinc/22/68/21/1318226821.db2.gz DDCBMCDCWJGYJA-BQYQJAHWSA-N -1 0 325.295 3.057 20 30 EGEDRM C=CCC[C@H](NC(=O)c1c(Cl)cccc1OCC1CC1)C(=O)[O-] ZINC000907659373 1318245738 /nfs/dbraw/zinc/24/57/38/1318245738.db2.gz COGGKUFRGUFRAP-ZDUSSCGKSA-N -1 0 337.803 3.278 20 30 EGEDRM N#Cc1cc(Cl)ncc1[N-]S(=O)(=O)Cc1cccc(Cl)c1 ZINC000811830695 1318276041 /nfs/dbraw/zinc/27/60/41/1318276041.db2.gz ABXIOALMYRNACM-UHFFFAOYSA-N -1 0 342.207 3.202 20 30 EGEDRM C#C[C@@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000812352819 1318373130 /nfs/dbraw/zinc/37/31/30/1318373130.db2.gz WUPYUBKEYXMDSV-CYBMUJFWSA-N -1 0 330.727 3.058 20 30 EGEDRM C=C[C@](C)(CCOC)C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000909225969 1318449200 /nfs/dbraw/zinc/44/92/00/1318449200.db2.gz QQGZDFBJKBZMTR-QGZVFWFLSA-N -1 0 337.441 3.172 20 30 EGEDRM C=CCC[C@@H](NC(=O)[C@H](C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000909714456 1318518742 /nfs/dbraw/zinc/51/87/42/1318518742.db2.gz XBMHNJLJWBOBSJ-ZWNOBZJWSA-N -1 0 329.318 3.345 20 30 EGEDRM C=CCC[C@H](NC(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000909714452 1318519025 /nfs/dbraw/zinc/51/90/25/1318519025.db2.gz XBMHNJLJWBOBSJ-GWCFXTLKSA-N -1 0 329.318 3.345 20 30 EGEDRM CC(=NNc1cccc([N+](=O)[O-])c1)c1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000814694525 1318800095 /nfs/dbraw/zinc/80/00/95/1318800095.db2.gz NZFMVPXQFGOWBC-LBPRGKRZSA-N -1 0 343.339 3.283 20 30 EGEDRM COc1ccc(NC(=S)NN=C(C)CC2(C(=O)[O-])CCC2)cc1 ZINC000814715530 1318803646 /nfs/dbraw/zinc/80/36/46/1318803646.db2.gz AEHMEOVAIWSQPH-UHFFFAOYSA-N -1 0 335.429 3.003 20 30 EGEDRM CC(C)c1nc(C#N)c(N=NC2CC(C(=O)[O-])(c3ccccc3)C2)o1 ZINC000814820530 1318823602 /nfs/dbraw/zinc/82/36/02/1318823602.db2.gz HBJOFPRHHJLWJF-UHFFFAOYSA-N -1 0 338.367 3.254 20 30 EGEDRM CC(CC1(C(=O)[O-])CCC1)=NNC(=S)Nc1cc(C)ccc1F ZINC000814820246 1318824598 /nfs/dbraw/zinc/82/45/98/1318824598.db2.gz VSLQROIVZVGIFL-UHFFFAOYSA-N -1 0 337.420 3.441 20 30 EGEDRM CC(CCc1ccc(O[C@H](C)C(=O)[O-])cc1)N=Nc1ccc(F)cn1 ZINC000814843115 1318829782 /nfs/dbraw/zinc/82/97/82/1318829782.db2.gz ZKIIIEVSHWDWGU-CYBMUJFWSA-N -1 0 345.374 3.493 20 30 EGEDRM CCN(CC)c1ccnc(N=NCc2cccc(C(=O)[O-])c2Cl)n1 ZINC000814871449 1318835691 /nfs/dbraw/zinc/83/56/91/1318835691.db2.gz ARQKPUUUQHWDFS-UHFFFAOYSA-N -1 0 347.806 3.120 20 30 EGEDRM CC(CCc1ccc(OCCC(=O)[O-])cc1)N=Nc1cccc(F)n1 ZINC000814928056 1318851580 /nfs/dbraw/zinc/85/15/80/1318851580.db2.gz UBJPDCGBEBWGDH-UHFFFAOYSA-N -1 0 345.374 3.495 20 30 EGEDRM C[C@H]1C(=NNCc2ccccc2N(C)C)CC[C@H](C(=O)[O-])C1(C)C ZINC000814926184 1318851836 /nfs/dbraw/zinc/85/18/36/1318851836.db2.gz SQQBZPJVVGKALI-DZGCQCFKSA-N -1 0 331.460 3.355 20 30 EGEDRM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1ncoc1C1CC1 ZINC000815907833 1319071150 /nfs/dbraw/zinc/07/11/50/1319071150.db2.gz LUUGZYSDHCHVJE-SNVBAGLBSA-N -1 0 329.743 3.167 20 30 EGEDRM CC[C@H](C)C(C)N=Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cn1 ZINC000914699671 1319364377 /nfs/dbraw/zinc/36/43/77/1319364377.db2.gz DIRHSNQSZSDHHI-LBPRGKRZSA-N -1 0 347.444 3.111 20 30 EGEDRM Cc1cc(O)cc2c1C(=O)C(=N[N-]c1ccc(Cl)cc1[N+](=O)[O-])O2 ZINC000915976361 1319576602 /nfs/dbraw/zinc/57/66/02/1319576602.db2.gz SKMVBZONGSGZJD-UHFFFAOYSA-N -1 0 347.714 3.263 20 30 EGEDRM COc1ccc(C=NNc2ccc(C(=O)[O-])cc2)cc1OC(F)F ZINC000916240551 1319623405 /nfs/dbraw/zinc/62/34/05/1319623405.db2.gz HDEYGQWVZHGJHP-UHFFFAOYSA-N -1 0 336.294 3.441 20 30 EGEDRM CCCCCCOc1ccc(C=NNc2nnc(C)c(=O)[n-]2)cc1 ZINC000916282822 1319631807 /nfs/dbraw/zinc/63/18/07/1319631807.db2.gz RJHOKJINNUFDNC-UHFFFAOYSA-N -1 0 329.404 3.291 20 30 EGEDRM O=C([O-])c1ccccc1C=NNC(=S)Nc1cccc(Cl)c1 ZINC000916285281 1319632531 /nfs/dbraw/zinc/63/25/31/1319632531.db2.gz CQWNLKQIFNSVBS-UHFFFAOYSA-N -1 0 333.800 3.359 20 30 EGEDRM CCN(CC)c1ccc(C=Nn2c(=S)[n-]nc2C(F)(F)F)cc1 ZINC000916305077 1319636407 /nfs/dbraw/zinc/63/64/07/1319636407.db2.gz KVTQBJDVQOKBQK-UHFFFAOYSA-N -1 0 343.378 3.314 20 30 EGEDRM O=C([O-])c1cc(NN=Cc2cnn(-c3ccccc3)n2)ccc1Cl ZINC000916539712 1319667608 /nfs/dbraw/zinc/66/76/08/1319667608.db2.gz FKFPAMDDYFGNGU-UHFFFAOYSA-N -1 0 341.758 3.065 20 30 EGEDRM CC(C)COc1ccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)cc1 ZINC000916892901 1319720282 /nfs/dbraw/zinc/72/02/82/1319720282.db2.gz OXSZMJIGRZVIDE-GOSISDBHSA-N -1 0 342.439 3.493 20 30 EGEDRM CCC1(CC)C(=O)NCCC1N=Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000819801404 1319788616 /nfs/dbraw/zinc/78/86/16/1319788616.db2.gz RDWDFZCGUCROAV-UHFFFAOYSA-N -1 0 337.807 3.132 20 30 EGEDRM C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000821024895 1319994702 /nfs/dbraw/zinc/99/47/02/1319994702.db2.gz UGTHQRYJGOZFDI-UHFFFAOYSA-N -1 0 337.775 3.025 20 30 EGEDRM C#CCCCS(=O)(=O)[N-]c1nnc([C@@H](CC)c2ccccc2)s1 ZINC000840948418 1321184082 /nfs/dbraw/zinc/18/40/82/1321184082.db2.gz HRYQVUARFIUDLQ-AWEZNQCLSA-N -1 0 349.481 3.235 20 30 EGEDRM CO[C@@H](CS(=O)(=O)[N-]c1cc2ccccc2cc1C#N)C(C)C ZINC000842814255 1321435335 /nfs/dbraw/zinc/43/53/35/1321435335.db2.gz APFPJRZAWQJMAX-KRWDZBQOSA-N -1 0 332.425 3.124 20 30 EGEDRM Cc1cc2nc(C)cc(C([O-])=C(C#N)c3nc(C4CC4)cs3)n2n1 ZINC000842942062 1321452011 /nfs/dbraw/zinc/45/20/11/1321452011.db2.gz MJIWOVMEZAHLEY-GFCCVEGCSA-N -1 0 337.408 3.170 20 30 EGEDRM CC[C@H](C#N)Oc1cc(CNc2ncccc2C(=O)[O-])ccc1OC ZINC000843035300 1321459321 /nfs/dbraw/zinc/45/93/21/1321459321.db2.gz YBZIISGNJJJQEL-CYBMUJFWSA-N -1 0 341.367 3.081 20 30 EGEDRM CC[C@H](/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-])C(=O)OC(C)(C)C ZINC000843265032 1321495381 /nfs/dbraw/zinc/49/53/81/1321495381.db2.gz STFQVJUCMUPQRJ-FQKVVYMKSA-N -1 0 342.779 3.493 20 30 EGEDRM CC(C)Cn1nccc1/C=C/C(=O)c1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000843268310 1321496503 /nfs/dbraw/zinc/49/65/03/1321496503.db2.gz HNRUFSSSEVAGTI-HSBSLETESA-N -1 0 342.395 3.287 20 30 EGEDRM C=C[C@H](C)ON=C([O-])Nc1nnc(C(C)(C)c2ccccc2)s1 ZINC000844531351 1321617490 /nfs/dbraw/zinc/61/74/90/1321617490.db2.gz KAUNELIAXLGCAC-NSHDSACASA-N -1 0 332.429 3.492 20 30 EGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)C[C@H](C)n1ccnc1 ZINC000845437423 1321707474 /nfs/dbraw/zinc/70/74/74/1321707474.db2.gz ILKMVMPJJRRZRJ-WFASDCNBSA-N -1 0 334.379 3.216 20 30 EGEDRM CC(C)OCCCNC(=O)C(C#N)=C([O-])c1cccc(C(C)(C)C)c1 ZINC000847622344 1321884762 /nfs/dbraw/zinc/88/47/62/1321884762.db2.gz IJIZBYDDPMSWRZ-KRWDZBQOSA-N -1 0 344.455 3.238 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])C(C)=Cc2ccco2)n1 ZINC000847633815 1321886349 /nfs/dbraw/zinc/88/63/49/1321886349.db2.gz OVBHJICHZGVBEK-PMDBQALLSA-N -1 0 330.365 3.193 20 30 EGEDRM C[C@H](OC(=O)c1ccc([O-])c(Cl)c1)C(=O)Nc1cccc(C#N)c1 ZINC000848950433 1322051386 /nfs/dbraw/zinc/05/13/86/1322051386.db2.gz STQRNWXOOSGSNQ-JTQLQIEISA-N -1 0 344.754 3.101 20 30 EGEDRM O=C([O-])COc1ccc(/C=C2\COc3c(F)cc(F)cc3C2=O)cc1 ZINC000920066759 1322133654 /nfs/dbraw/zinc/13/36/54/1322133654.db2.gz XPJTWHWGDDLBJJ-VZUCSPMQSA-N -1 0 346.285 3.087 20 30 EGEDRM C#CCCCC(=O)O[C@H]1C[C@@H]([N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000851176756 1322345765 /nfs/dbraw/zinc/34/57/65/1322345765.db2.gz CHZCHUFVGIUUMY-KGLIPLIRSA-N -1 0 339.313 3.198 20 30 EGEDRM CC[C@](C)(C#N)C(=O)NC[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000923064789 1322685733 /nfs/dbraw/zinc/68/57/33/1322685733.db2.gz JORPWLZHAKLKNZ-YLJYHZDGSA-N -1 0 338.407 3.139 20 30 EGEDRM CC[C@](C)(C#N)C(=O)NC[C@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000923064782 1322685996 /nfs/dbraw/zinc/68/59/96/1322685996.db2.gz JORPWLZHAKLKNZ-FXAWDEMLSA-N -1 0 338.407 3.139 20 30 EGEDRM N#Cc1ncc(C(F)(F)F)cc1N1CCC[C@H](CCC(=O)[O-])C1 ZINC000852910082 1323252368 /nfs/dbraw/zinc/25/23/68/1323252368.db2.gz MELGVPCGFUUZGP-SNVBAGLBSA-N -1 0 327.306 3.053 20 30 EGEDRM C=CCC[C@H](NC(=O)N[C@@H](C[C@@H]1CCCO1)C(=O)[O-])c1ccccc1 ZINC000929044410 1328495597 /nfs/dbraw/zinc/49/55/97/1328495597.db2.gz MQXPQCCDBCYKRS-ULQDDVLXSA-N -1 0 346.427 3.015 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)[C@H](CC)c1ccc(Br)cc1 ZINC000864136228 1329601025 /nfs/dbraw/zinc/60/10/25/1329601025.db2.gz UPAQMEUFEZXYQD-CYBMUJFWSA-N -1 0 340.217 3.042 20 30 EGEDRM Cc1nc(C2CCN(c3cc(C)ncc3C#N)CC2)sc1C(=O)[O-] ZINC000864515488 1329621121 /nfs/dbraw/zinc/62/11/21/1329621121.db2.gz UREWTONVWLZQAP-UHFFFAOYSA-N -1 0 342.424 3.109 20 30 EGEDRM CCN(Cc1ccc(N(C)C)cc1)C(=O)CCC(=O)C1=CC=C[CH]1 ZINC001184243186 1387418626 /nfs/dbraw/zinc/41/86/26/1387418626.db2.gz FFBFANFULIXCCQ-UHFFFAOYSA-N -1 0 325.432 3.151 20 30 EGEDRM O=C(CCC(=O)N1CCC2(Cc3ccccc3O2)CC1)C1=CC=C[CH]1 ZINC001184243964 1387418632 /nfs/dbraw/zinc/41/86/32/1387418632.db2.gz NVEJMQVSYPZDJU-UHFFFAOYSA-N -1 0 336.411 3.032 20 30 EGEDRM O=C(CCC(=O)C1=CC=C[CH]1)Nc1nc2ccccc2nc1Cl ZINC001184240914 1387418807 /nfs/dbraw/zinc/41/88/07/1387418807.db2.gz ISVLLYLFCHQZDQ-UHFFFAOYSA-N -1 0 326.763 3.271 20 30 EGEDRM N#Cc1cccc(Cl)c1[N-]S(=O)(=O)Cc1cc(F)cc(F)c1 ZINC001185134137 1387624880 /nfs/dbraw/zinc/62/48/80/1387624880.db2.gz NDPVDZODPSGMFG-UHFFFAOYSA-N -1 0 342.754 3.432 20 30 EGEDRM N#Cc1c(F)cc(F)cc1[N-]S(=O)(=O)Cc1cccc(F)c1F ZINC001189463382 1367029833 /nfs/dbraw/zinc/02/98/33/1367029833.db2.gz JSCBAIBMIZZXFN-UHFFFAOYSA-N -1 0 344.289 3.057 20 30 EGEDRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C#N)cc2C)c1 ZINC001189563141 1367054976 /nfs/dbraw/zinc/05/49/76/1367054976.db2.gz FTNSSDPJDDAYRC-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM N#Cc1ccnc(NC(=O)c2cc(Br)ccc2[S-])c1 ZINC001189952357 1367138376 /nfs/dbraw/zinc/13/83/76/1367138376.db2.gz WTUIMYVCEGHCNA-UHFFFAOYSA-N -1 0 334.198 3.257 20 30 EGEDRM N#CCCN(CCC#N)C(=O)c1cc(Br)ccc1[S-] ZINC001189950491 1367138440 /nfs/dbraw/zinc/13/84/40/1367138440.db2.gz LTPKPZGPJIKCKV-UHFFFAOYSA-N -1 0 338.230 3.007 20 30 EGEDRM N#Cc1ccc(F)c(F)c1[N-]S(=O)(=O)c1cc(F)cc(F)c1F ZINC001190395708 1367251835 /nfs/dbraw/zinc/25/18/35/1367251835.db2.gz QYSWQKIEFQZKCN-UHFFFAOYSA-N -1 0 348.252 3.055 20 30 EGEDRM Cc1ccnc(C(C)C)c1[N-]S(=O)(=O)c1cc(C#N)ccc1F ZINC001190627283 1367311585 /nfs/dbraw/zinc/31/15/85/1367311585.db2.gz VVFQKZRLMPKKCN-UHFFFAOYSA-N -1 0 333.388 3.325 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2ccccc2-n2cccc2)c1 ZINC001190647700 1367315635 /nfs/dbraw/zinc/31/56/35/1367315635.db2.gz HIHUAVDJOIXKLP-UHFFFAOYSA-N -1 0 341.367 3.289 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)Nc2c([S-])cccc2Cl)c1 ZINC001190655805 1367319191 /nfs/dbraw/zinc/31/91/91/1367319191.db2.gz PSJGCECPGIBSOJ-UHFFFAOYSA-N -1 0 342.804 3.440 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)NCc2ccccc2C2CC2)c1 ZINC001190661316 1367321039 /nfs/dbraw/zinc/32/10/39/1367321039.db2.gz SGMQIUAITLVYMG-UHFFFAOYSA-N -1 0 330.384 3.053 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)NCc2ccccc2C(F)F)c1 ZINC001190662608 1367322799 /nfs/dbraw/zinc/32/27/99/1367322799.db2.gz JXFNWPGHRAWODN-UHFFFAOYSA-N -1 0 340.326 3.113 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)NC[C@H]2CCCc3ccccc32)c1 ZINC001190676671 1367326679 /nfs/dbraw/zinc/32/66/79/1367326679.db2.gz JGELTEFVRNEKAW-OAHLLOKOSA-N -1 0 344.411 3.096 20 30 EGEDRM CCCCCCCCNC(=O)Nc1ccc(S(=O)(=O)[O-])cc1 ZINC001191069634 1367415948 /nfs/dbraw/zinc/41/59/48/1367415948.db2.gz NPAAKEBBXANPFR-UHFFFAOYSA-N -1 0 328.434 3.415 20 30 EGEDRM N=C(c1ccccc1N)N(O)C(=O)c1ccnc(Oc2ccccc2)c1 ZINC001191803385 1367594772 /nfs/dbraw/zinc/59/47/72/1367594772.db2.gz CYHMTIZFPGXCBN-UHFFFAOYSA-N -1 0 348.362 3.313 20 30 EGEDRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1c(F)cccc1C#N ZINC001191821841 1367602167 /nfs/dbraw/zinc/60/21/67/1367602167.db2.gz VYNPGKYOLVMMMH-UHFFFAOYSA-N -1 0 334.372 3.205 20 30 EGEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1C(F)(F)F ZINC001193145744 1367953008 /nfs/dbraw/zinc/95/30/08/1367953008.db2.gz AMAKVQBOSVYDDF-LURJTMIESA-N -1 0 346.252 3.378 20 30 EGEDRM CCOC(=O)c1c(C)csc1NC(=O)c1ccc([O-])c(C#N)c1 ZINC001193499759 1368045551 /nfs/dbraw/zinc/04/55/51/1368045551.db2.gz UWGWFWRBEVJTFJ-UHFFFAOYSA-N -1 0 330.365 3.063 20 30 EGEDRM CCOC(=O)c1[nH]c2ccccc2c1NC(=O)c1ccc([O-])c(C#N)c1 ZINC001193497803 1368045917 /nfs/dbraw/zinc/04/59/17/1368045917.db2.gz ASDXKNXWYMGTAG-UHFFFAOYSA-N -1 0 349.346 3.174 20 30 EGEDRM CC1(C)CC(=O)Nc2c(NC(=O)c3ccc([O-])c(C#N)c3)cccc21 ZINC001193511529 1368050436 /nfs/dbraw/zinc/05/04/36/1368050436.db2.gz BVOSGOZFLNGCDC-UHFFFAOYSA-N -1 0 335.363 3.136 20 30 EGEDRM CC(C)(C#N)c1ccc(NC(=O)c2cc(O)c([O-])c(Cl)c2)cn1 ZINC001193589951 1368067472 /nfs/dbraw/zinc/06/74/72/1368067472.db2.gz STLBCBJYHQUALX-UHFFFAOYSA-N -1 0 331.759 3.200 20 30 EGEDRM COc1cc(C#N)c(F)cc1NC(=O)c1cc(O)c([O-])c(Cl)c1 ZINC001193624368 1368076411 /nfs/dbraw/zinc/07/64/11/1368076411.db2.gz ASXCOXMNPQTKQF-UHFFFAOYSA-N -1 0 336.706 3.023 20 30 EGEDRM N#Cc1cccc(C(=O)N2CCn3cccc3[C@H]2c2ccccc2)c1[O-] ZINC001193634555 1368080786 /nfs/dbraw/zinc/08/07/86/1368080786.db2.gz FHJOUMTXDKFTNM-LJQANCHMSA-N -1 0 343.386 3.311 20 30 EGEDRM N#Cc1cccc(C(=O)N2CCc3c(cccc3C(F)(F)F)C2)c1[O-] ZINC001193646336 1368082771 /nfs/dbraw/zinc/08/27/71/1368082771.db2.gz HFVUYYIDSXJMKV-UHFFFAOYSA-N -1 0 346.308 3.481 20 30 EGEDRM N#Cc1cccc(C(=O)Nc2ccc(OCC(F)(F)F)cc2)c1[O-] ZINC001193652305 1368086105 /nfs/dbraw/zinc/08/61/05/1368086105.db2.gz CXXQRHPXCHWUOC-UHFFFAOYSA-N -1 0 336.269 3.457 20 30 EGEDRM N#Cc1c2ccccc2sc1[N-]S(=O)(=O)c1ccccc1N ZINC001193896417 1368141906 /nfs/dbraw/zinc/14/19/06/1368141906.db2.gz XUQZFMURCRWKCX-UHFFFAOYSA-N -1 0 329.406 3.156 20 30 EGEDRM N#Cc1cc(Cl)cc([N-]S(=O)(=O)Cc2noc3ccccc23)c1 ZINC001194098282 1368182197 /nfs/dbraw/zinc/18/21/97/1368182197.db2.gz AORAWDGNQCYYIA-UHFFFAOYSA-N -1 0 347.783 3.295 20 30 EGEDRM CNc1ccc(C#N)cc1NC(=O)c1c(C)[n-]n(-c2ccccc2)c1=O ZINC001194269465 1368219249 /nfs/dbraw/zinc/21/92/49/1368219249.db2.gz FVJZWCAONOPJNF-UHFFFAOYSA-N -1 0 347.378 3.052 20 30 EGEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)c1c(C)cccc1Cl ZINC001195307933 1368418095 /nfs/dbraw/zinc/41/80/95/1368418095.db2.gz CKUFMCZAUJAVBM-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM CC(=O)Nc1ccc(NC(=O)c2ccc(C#N)cc2[O-])cc1Cl ZINC001195751106 1368482553 /nfs/dbraw/zinc/48/25/53/1368482553.db2.gz QAYLOPSDXOMNIU-UHFFFAOYSA-N -1 0 329.743 3.128 20 30 EGEDRM N#Cc1cccc(C(F)(F)F)c1[N-]S(=O)(=O)c1ccc(O)cc1 ZINC001195803070 1368493488 /nfs/dbraw/zinc/49/34/88/1368493488.db2.gz WKGNRHGPKYDNTO-UHFFFAOYSA-N -1 0 342.298 3.083 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2cc(C#N)cn2C(C)(C)C)c(F)c1 ZINC001196347034 1368594143 /nfs/dbraw/zinc/59/41/43/1368594143.db2.gz LRTQSKUBBYEYHZ-UHFFFAOYSA-N -1 0 335.404 3.363 20 30 EGEDRM Cc1cc(Cl)nc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)c1 ZINC001196650685 1368656101 /nfs/dbraw/zinc/65/61/01/1368656101.db2.gz WHXSYIGMKUTFNZ-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM Cc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)cc(Cl)n1 ZINC001196650697 1368656553 /nfs/dbraw/zinc/65/65/53/1368656553.db2.gz WTPRMSIMGKLIOB-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM COc1cc(F)cc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)c1 ZINC001196680230 1368660822 /nfs/dbraw/zinc/66/08/22/1368660822.db2.gz GAJVPYXSZAWXKQ-UHFFFAOYSA-N -1 0 340.763 3.160 20 30 EGEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(O)cc(Cl)c1 ZINC001196680546 1368661039 /nfs/dbraw/zinc/66/10/39/1368661039.db2.gz QDFNFRVIYSYVJF-UHFFFAOYSA-N -1 0 343.191 3.371 20 30 EGEDRM N#CCc1ccccc1[N-]S(=O)(=O)c1cc(Cl)ccc1C#N ZINC001196680568 1368661159 /nfs/dbraw/zinc/66/11/59/1368661159.db2.gz RIGZTFNPAAJHKX-UHFFFAOYSA-N -1 0 331.784 3.079 20 30 EGEDRM CCCCCCCC(=O)c1ccc([O-])c(C(=O)N[C@H]2[C@@H]3COC[C@@H]32)c1 ZINC001197374778 1368800802 /nfs/dbraw/zinc/80/08/02/1368800802.db2.gz CWUPZDIWLWDYSP-MNZLEMJZSA-N -1 0 345.439 3.310 20 30 EGEDRM Cc1csc([N-]S(=O)(=O)Cc2c(F)cccc2F)c1C#N ZINC001197557037 1368839327 /nfs/dbraw/zinc/83/93/27/1368839327.db2.gz XZVHGESEUKFCCP-UHFFFAOYSA-N -1 0 328.365 3.148 20 30 EGEDRM Cc1ccnc(S(=O)(=O)[N-]c2sc3c(c2C#N)CCCC3)c1 ZINC001197955571 1368931847 /nfs/dbraw/zinc/93/18/47/1368931847.db2.gz GYHYWEBOEKXPLX-UHFFFAOYSA-N -1 0 333.438 3.003 20 30 EGEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)c1ccc2occc2c1 ZINC001198860826 1369132978 /nfs/dbraw/zinc/13/29/78/1369132978.db2.gz DRZGPHMJQXIXID-UHFFFAOYSA-N -1 0 328.349 3.114 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cn2)cc1C#N ZINC001201287559 1369511168 /nfs/dbraw/zinc/51/11/68/1369511168.db2.gz LSAXKVBOUNWMPB-UHFFFAOYSA-N -1 0 341.314 3.081 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2cnc(Cl)c(Cl)c2)cc1C#N ZINC001201292744 1369512367 /nfs/dbraw/zinc/51/23/67/1369512367.db2.gz KPSUGYQEUQGOLX-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2cccnc2C(F)(F)F)cc1C#N ZINC001201295796 1369512522 /nfs/dbraw/zinc/51/25/22/1369512522.db2.gz ZZTBEXWBLWAZQQ-UHFFFAOYSA-N -1 0 341.314 3.081 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2cccnc2C2CCC2)cc1C#N ZINC001201295674 1369512563 /nfs/dbraw/zinc/51/25/63/1369512563.db2.gz YHVWCNWOYNXGMY-UHFFFAOYSA-N -1 0 327.409 3.330 20 30 EGEDRM CC(=O)c1ccc(C)cc1[N-]S(=O)(=O)c1ccc(C)c(C#N)c1 ZINC001201321968 1369519859 /nfs/dbraw/zinc/51/98/59/1369519859.db2.gz ANCABTPUOWAZBG-UHFFFAOYSA-N -1 0 328.393 3.179 20 30 EGEDRM COc1ccc([N-]S(=O)(=O)c2cc3c(s2)CCCC3)cc1C#N ZINC001187207139 1388071613 /nfs/dbraw/zinc/07/16/13/1388071613.db2.gz RKTQAPLOLKNLAM-UHFFFAOYSA-N -1 0 348.449 3.308 20 30 EGEDRM COc1c(Br)ccc(Nc2ccc(C(=O)[O-])nc2)c1C#N ZINC001210176550 1372288214 /nfs/dbraw/zinc/28/82/14/1372288214.db2.gz DGGIPIJEJIHRSW-UHFFFAOYSA-N -1 0 348.156 3.166 20 30 EGEDRM Cc1oc([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)c(C#N)c1C ZINC001187932716 1388193363 /nfs/dbraw/zinc/19/33/63/1388193363.db2.gz VGEPIBNAZWDKCP-UHFFFAOYSA-N -1 0 346.195 3.271 20 30 EGEDRM CCCCCCCCS(=O)(=O)[N-]c1scnc1C(=O)OCC ZINC001187994966 1388208310 /nfs/dbraw/zinc/20/83/10/1388208310.db2.gz WMJZEGLBWPIHEY-UHFFFAOYSA-N -1 0 348.490 3.422 20 30 EGEDRM CCCCCCCCS(=O)(=O)Nc1ccc(S(=O)(=O)[O-])cc1 ZINC001188013151 1388214373 /nfs/dbraw/zinc/21/43/73/1388214373.db2.gz OFNHJILTPHEOPY-UHFFFAOYSA-N -1 0 349.474 3.036 20 30 EGEDRM N#Cc1ccc(F)c(Nc2cc(S(=O)(=O)[O-])ccc2Cl)c1 ZINC001214604070 1373088108 /nfs/dbraw/zinc/08/81/08/1373088108.db2.gz JBEQYILJRWCRTC-UHFFFAOYSA-N -1 0 326.736 3.341 20 30 EGEDRM N#Cc1cccc(Br)c1Nc1cnc(F)c(C(=O)[O-])c1 ZINC001215111540 1373171529 /nfs/dbraw/zinc/17/15/29/1373171529.db2.gz XDSZZTVIZTWSET-UHFFFAOYSA-N -1 0 336.120 3.297 20 30 EGEDRM N#CCc1nn(-c2ccccc2)c(Nc2ccsc2C(=O)[O-])c1C#N ZINC001215392152 1373204181 /nfs/dbraw/zinc/20/41/81/1373204181.db2.gz VXUUEEJDSGZXLC-UHFFFAOYSA-N -1 0 349.375 3.313 20 30 EGEDRM N#Cc1ncc(Nc2cc(CC(=O)[O-])ccc2F)cc1C(F)(F)F ZINC001216679629 1373330902 /nfs/dbraw/zinc/33/09/02/1373330902.db2.gz XLGZUURHXSZPNE-UHFFFAOYSA-N -1 0 339.248 3.482 20 30 EGEDRM N#Cc1cc(-c2nc(-c3cncc(Br)c3)no2)ccc1[O-] ZINC001216969623 1373373480 /nfs/dbraw/zinc/37/34/80/1373373480.db2.gz JKFMUFZVAFVGRR-UHFFFAOYSA-N -1 0 343.140 3.138 20 30 EGEDRM C=CC[C@@H](NC(=O)COc1ccc(Cl)c2ccccc12)C(=O)[O-] ZINC001327014435 1388365637 /nfs/dbraw/zinc/36/56/37/1388365637.db2.gz VABWNDGXBGVAKX-CQSZACIVSA-N -1 0 333.771 3.018 20 30 EGEDRM CC(C)CCOC(=O)[C@@H](Oc1[n-]c(=O)ccc1C#N)c1ccccc1 ZINC001228901151 1375709441 /nfs/dbraw/zinc/70/94/41/1375709441.db2.gz JUGCAKXQOPWNGL-KRWDZBQOSA-N -1 0 340.379 3.368 20 30 EGEDRM CC[C@@H](C)OC(=O)N1CCCC[C@@H]1CCOc1[n-]c(=O)ccc1C#N ZINC001228901987 1375710738 /nfs/dbraw/zinc/71/07/38/1375710738.db2.gz OMCYYCUQLXLPNF-UKRRQHHQSA-N -1 0 347.415 3.217 20 30 EGEDRM N#Cc1cc(NC(=O)Nc2cc(F)cc3c2OCOC3)c([O-])cc1F ZINC001188871515 1388396004 /nfs/dbraw/zinc/39/60/04/1388396004.db2.gz ABJYRGGUFFNFJM-UHFFFAOYSA-N -1 0 347.277 3.053 20 30 EGEDRM COc1cc(/C=C/C(=O)c2ccccc2[O-])ccc1OC1CC(=O)C1 ZINC001229411888 1375830471 /nfs/dbraw/zinc/83/04/71/1375830471.db2.gz WKEYITZZUIODNC-SOFGYWHQSA-N -1 0 338.359 3.407 20 30 EGEDRM CCOC(=O)c1cc2c(s1)CCN(Cc1cc(C#N)ccc1[O-])C2 ZINC001232679731 1376500271 /nfs/dbraw/zinc/50/02/71/1376500271.db2.gz REENOVGICXHKHF-UHFFFAOYSA-N -1 0 342.420 3.060 20 30 EGEDRM COC(=O)c1ccc([C@H](C)Oc2ccc(/C=N/O)cc2OC)cc1 ZINC001233801358 1376719510 /nfs/dbraw/zinc/71/95/10/1376719510.db2.gz YMPFPBJPMSRDSH-MKFNJMOCSA-N -1 0 329.352 3.430 20 30 EGEDRM N#Cc1ncc(F)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC001258836737 1377119657 /nfs/dbraw/zinc/11/96/57/1377119657.db2.gz MTEIRAIOQGPFMV-UHFFFAOYSA-N -1 0 346.170 3.200 20 30 EGEDRM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C#N)c1 ZINC001189232181 1388490600 /nfs/dbraw/zinc/49/06/00/1388490600.db2.gz HPGXZDNBHKWUNM-UHFFFAOYSA-N -1 0 334.784 3.215 20 30 EGEDRM COc1cccc2c1C[C@H](C(=O)Nc1cc(C#N)c(F)cc1[O-])CC2 ZINC001143545888 1378614071 /nfs/dbraw/zinc/61/40/71/1378614071.db2.gz WIKIYOVHJPKMJU-GFCCVEGCSA-N -1 0 340.354 3.155 20 30 EGEDRM Cc1cc(C(=O)Nc2cc(C#N)c(F)cc2[O-])n(-c2ccccc2)n1 ZINC001147854288 1379090267 /nfs/dbraw/zinc/09/02/67/1379090267.db2.gz DBLIZVIFONPYOU-UHFFFAOYSA-N -1 0 336.326 3.149 20 30 EGEDRM N#Cc1sccc1NC(=O)c1cc([O-])c(Br)c(O)c1 ZINC001148981077 1379306739 /nfs/dbraw/zinc/30/67/39/1379306739.db2.gz BHTJVPNNDFQDBQ-UHFFFAOYSA-N -1 0 339.170 3.046 20 30 EGEDRM Cc1coc(NC(=O)c2cc(=O)c3cc(Cl)ccc3[n-]2)c1C#N ZINC001153902144 1380153097 /nfs/dbraw/zinc/15/30/97/1380153097.db2.gz ZEDZJGBSVCZJEC-UHFFFAOYSA-N -1 0 327.727 3.207 20 30 EGEDRM N#Cc1ccc2[n-]c(C(=O)Nc3cc(C4CCCC4)no3)cc(=O)c2c1 ZINC001154552324 1380304745 /nfs/dbraw/zinc/30/47/45/1380304745.db2.gz RVHSJLGIQRRKAB-UHFFFAOYSA-N -1 0 348.362 3.298 20 30 EGEDRM N#Cc1ccc2[n-]c(C(=O)Nc3cccc4cc[nH]c43)cc(=O)c2c1 ZINC001154557356 1380305420 /nfs/dbraw/zinc/30/54/20/1380305420.db2.gz KGZJOFTVCVHUCD-UHFFFAOYSA-N -1 0 328.331 3.133 20 30 EGEDRM CC(C)(C)OC(=O)N1CC=C(Nc2cc(C#N)c(F)cc2[O-])CC1 ZINC001174442017 1385109350 /nfs/dbraw/zinc/10/93/50/1385109350.db2.gz FMNPGQLFNYCFFG-UHFFFAOYSA-N -1 0 333.363 3.340 20 30 EGEDRM COc1cc(Nc2c(C#N)cnnc2-c2ccccc2)ccc1C(=O)[O-] ZINC001174684774 1385134196 /nfs/dbraw/zinc/13/41/96/1385134196.db2.gz ZEIPXVPGVRDRJK-UHFFFAOYSA-N -1 0 346.346 3.466 20 30 EGEDRM N#Cc1ccc(Oc2ccc(Nc3cnn(CC(=O)[O-])c3)cc2)cc1 ZINC001176272214 1385534442 /nfs/dbraw/zinc/53/44/42/1385534442.db2.gz DLVDDFVOOYQUJO-UHFFFAOYSA-N -1 0 334.335 3.375 20 30 EGEDRM CNC(=O)c1cc(C#N)cc(C)c1Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC001176597790 1385636373 /nfs/dbraw/zinc/63/63/73/1385636373.db2.gz VRNDVVGEYHBLOJ-VMPITWQZSA-N -1 0 335.363 3.068 20 30 EGEDRM C=CC[C@H](NC(=O)c1csc(-c2ccccc2Cl)n1)C(=O)[O-] ZINC001321337981 1386879648 /nfs/dbraw/zinc/87/96/48/1386879648.db2.gz DZLCNIWAILOLPW-NSHDSACASA-N -1 0 336.800 3.223 20 30 EGEDRM C=CC[C@@H](NC(=O)C(C)(C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC001321657774 1386950688 /nfs/dbraw/zinc/95/06/88/1386950688.db2.gz JWWOLIZZURIROR-GFCCVEGCSA-N -1 0 329.318 3.129 20 30 EGEDRM C=CC[C@H](NC(=O)c1cccc(COc2cccc(F)c2)c1)C(=O)[O-] ZINC001339865265 1390178618 /nfs/dbraw/zinc/17/86/18/1390178618.db2.gz QMDLPJGJBMXBEY-KRWDZBQOSA-N -1 0 343.354 3.164 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cnc(CC(C)C)s1 ZINC001342019154 1390562311 /nfs/dbraw/zinc/56/23/11/1390562311.db2.gz FMXFJUNXJKVKNF-ZDUSSCGKSA-N -1 0 335.473 3.361 20 30 EGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)c1cn2c(n1)CCCC2 ZINC001342034050 1390563451 /nfs/dbraw/zinc/56/34/51/1390563451.db2.gz FNRGSHXNORYVBE-AWEZNQCLSA-N -1 0 346.390 3.215 20 30 EGEDRM Cn1cc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)c2ccccc21 ZINC001342518853 1390621550 /nfs/dbraw/zinc/62/15/50/1390621550.db2.gz JKJGZRWIXPLBHU-AWEZNQCLSA-N -1 0 341.374 3.194 20 30 EGEDRM N#CC(=C([O-])c1csc(C2CC2)n1)c1nc(N)c2ccccc2n1 ZINC001342537417 1390624236 /nfs/dbraw/zinc/62/42/36/1390624236.db2.gz JPIHKBOMJFPEKU-NSHDSACASA-N -1 0 335.392 3.036 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cnn(C2CCCCC2)c1 ZINC001342561609 1390626370 /nfs/dbraw/zinc/62/63/70/1390626370.db2.gz UJRBAUYYXSSMHF-KRWDZBQOSA-N -1 0 344.459 3.407 20 30 EGEDRM CCc1ccc(-c2nc(C([O-])=C(C#N)C(=O)NC(C)C)cs2)cc1 ZINC001342604378 1390631024 /nfs/dbraw/zinc/63/10/24/1390631024.db2.gz GPHNJYGWTOIDKW-CQSZACIVSA-N -1 0 341.436 3.220 20 30 EGEDRM CCc1c(C([O-])=C(C#N)c2cccc(F)n2)cnn1-c1ccccc1 ZINC001343311258 1390706726 /nfs/dbraw/zinc/70/67/26/1390706726.db2.gz DZKPIIGPXQDLBN-CQSZACIVSA-N -1 0 334.354 3.459 20 30 EGEDRM COc1cc(C([O-])=C(C#N)C(=O)c2c(C)[nH]c3ccccc32)ccn1 ZINC001343316683 1390706950 /nfs/dbraw/zinc/70/69/50/1390706950.db2.gz MHVLLBOCWGALKL-AWEZNQCLSA-N -1 0 333.347 3.085 20 30 EGEDRM N#CC(=C([O-])c1c[nH]c(Br)c1)c1nc2ccccc2o1 ZINC001343448562 1390714730 /nfs/dbraw/zinc/71/47/30/1390714730.db2.gz VFLJQKUTJWDQLM-SECBINFHSA-N -1 0 330.141 3.408 20 30 EGEDRM Cc1cc(C(C#N)=C([O-])c2oc(C3CC3)nc2C(F)F)nc(C)n1 ZINC001343575675 1390723735 /nfs/dbraw/zinc/72/37/35/1390723735.db2.gz IGRRCVVHTDQTRU-SNVBAGLBSA-N -1 0 332.310 3.387 20 30 EGEDRM Cn1ccnc1C(C#N)=C([O-])C1(C(=O)OC(C)(C)C)CCCCCC1 ZINC001343841053 1390739249 /nfs/dbraw/zinc/73/92/49/1390739249.db2.gz BKXYYZGYWHDAHN-AWEZNQCLSA-N -1 0 345.443 3.279 20 30 EGEDRM C=CC[C@H](NC(=O)c1cccc(OCc2cccc(C)c2)c1)C(=O)[O-] ZINC001344551811 1390799111 /nfs/dbraw/zinc/79/91/11/1390799111.db2.gz GJAVUQJSFAYHCP-SFHVURJKSA-N -1 0 339.391 3.333 20 30 EGEDRM COc1cccn2ncc(C([O-])=C(C#N)c3nc(C4CC4)cs3)c12 ZINC001344966073 1390828014 /nfs/dbraw/zinc/82/80/14/1390828014.db2.gz OHOCCBBTAPTKML-LLVKDONJSA-N -1 0 338.392 3.167 20 30 EGEDRM Cc1sc([N-]S(=O)(=O)c2ccc(CC#N)cc2)nc1C(C)C ZINC001346686611 1390969567 /nfs/dbraw/zinc/96/95/67/1390969567.db2.gz DOYRAVAUIXROPM-UHFFFAOYSA-N -1 0 335.454 3.442 20 30 EGEDRM CC(C)(C#N)c1ccccc1COc1ccc(-c2nn[n-]n2)cc1F ZINC000819891901 1428796811 /nfs/dbraw/zinc/79/68/11/1428796811.db2.gz KNTLIMSPJGAQGE-UHFFFAOYSA-N -1 0 337.358 3.386 20 30 EGEDRM N#Cc1ccc(Cl)cc1OCc1cc(-c2nn[n-]n2)ccc1F ZINC000822825707 1429428418 /nfs/dbraw/zinc/42/84/18/1429428418.db2.gz MGNZTNAGCHPJEA-UHFFFAOYSA-N -1 0 329.722 3.110 20 30 EGEDRM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC[C@H]2CCC[C@@H](C)C2)o1 ZINC000824280815 1429466756 /nfs/dbraw/zinc/46/67/56/1429466756.db2.gz VLEMLTQVJVLGBY-NEPJUHHUSA-N -1 0 331.424 3.277 20 30 EGEDRM FC(F)(F)c1ccc(C#CCOc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822723611 1423472176 /nfs/dbraw/zinc/47/21/76/1423472176.db2.gz HTRWAVLIYVSAJH-UHFFFAOYSA-N -1 0 344.296 3.316 20 30 EGEDRM C[C@H](N=Cc1cc2ccccc2[nH]c1=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820308908 1424444988 /nfs/dbraw/zinc/44/49/88/1424444988.db2.gz ZKZZMBAZJILPJN-OEKFUPINSA-N -1 0 344.378 3.301 20 30 EGEDRM Cc1cc(C)c(-c2nn[n-]n2)c(S[C@@H](C#N)C2CCCCC2)n1 ZINC000737240243 1425049958 /nfs/dbraw/zinc/04/99/58/1425049958.db2.gz ITJKRJHPQMIMFO-ZDUSSCGKSA-N -1 0 328.445 3.443 20 30 EGEDRM O=C(C=Cc1nccc2ccccc21)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826403320 1425466168 /nfs/dbraw/zinc/46/61/68/1425466168.db2.gz OVPVJDDWJQZMNQ-BQYQJAHWSA-N -1 0 345.337 3.450 20 30 EGEDRM CCCCC[C@@H](CC)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000825268419 1425915630 /nfs/dbraw/zinc/91/56/30/1425915630.db2.gz UVOAEFAHPPFUPL-GFCCVEGCSA-N -1 0 326.404 3.283 20 30 EGEDRM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1cnn(-c2ccccc2)c1 ZINC000822924081 1426369929 /nfs/dbraw/zinc/36/99/29/1426369929.db2.gz WSDCXZPXUBIEMR-VOTSOKGWSA-N -1 0 348.391 3.010 20 30 EGEDRM CCSc1ccccc1C(C)N=Nc1oc(C)nc1-c1nn[n-]n1 ZINC000821461593 1426634417 /nfs/dbraw/zinc/63/44/17/1426634417.db2.gz QYPKQXVDFOQOQG-UHFFFAOYSA-N -1 0 343.416 3.111 20 30 EGEDRM CC[C@H](CC1CCCC1)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000736350130 1426647819 /nfs/dbraw/zinc/64/78/19/1426647819.db2.gz LUERFCMNVSFCCN-CYBMUJFWSA-N -1 0 338.415 3.283 20 30 EGEDRM Cc1nc(-c2nn[n-]n2)c(N=NC(C)C(C)(C)c2ccc(F)cc2)o1 ZINC000735451237 1426669310 /nfs/dbraw/zinc/66/93/10/1426669310.db2.gz VMYJAXBZUBYQIP-UHFFFAOYSA-N -1 0 343.366 3.068 20 30 EGEDRM C[C@@H](OC(=O)C=Cc1ccccc1C#N)c1cccc(-c2nn[n-]n2)c1 ZINC000736153711 1426724376 /nfs/dbraw/zinc/72/43/76/1426724376.db2.gz RZBXEACHMIBAAB-WTNCMQEWSA-N -1 0 345.362 3.056 20 30 EGEDRM COc1ccc(C=C2CCc3ccc(C)cc3C2=O)cc1-c1nn[n-]n1 ZINC000826190546 1426755572 /nfs/dbraw/zinc/75/55/72/1426755572.db2.gz FLYWIWOIPHYSOC-GDNBJRDFSA-N -1 0 346.390 3.396 20 30 EGEDRM C[C@@H]1c2c(c(O)ccc2F)C(=O)C1=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736228699 1426971366 /nfs/dbraw/zinc/97/13/66/1426971366.db2.gz JCOSUXJEIGUISZ-RILYUOAZSA-N -1 0 336.326 3.095 20 30 EGEDRM COc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1-c1nn[n-]n1 ZINC000737082505 1427345353 /nfs/dbraw/zinc/34/53/53/1427345353.db2.gz WJSGUMQJPHSJDW-KRXBUXKQSA-N -1 0 340.770 3.425 20 30 EGEDRM CCOc1cccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000821426314 1427537253 /nfs/dbraw/zinc/53/72/53/1427537253.db2.gz BZMXXJREYXUQMM-HJWRWDBZSA-N -1 0 338.342 3.301 20 30 EGEDRM COc1ccc(C=C2CCc3sccc3C2=O)cc1-c1nn[n-]n1 ZINC000737081395 1427974873 /nfs/dbraw/zinc/97/48/73/1427974873.db2.gz CVYKIAUQKGSQGU-FLIBITNWSA-N -1 0 338.392 3.149 20 30 EGEDRM O=C(C=Cc1ccc(F)c(F)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826400906 1430149873 /nfs/dbraw/zinc/14/98/73/1430149873.db2.gz KUYNXBPHJCEFJG-KXFIGUGUSA-N -1 0 330.269 3.180 20 30 EGEDRM N#Cc1c(Cl)cccc1SCc1ccnc(-c2nn[n-]n2)c1 ZINC000826383096 1441781180 /nfs/dbraw/zinc/78/11/80/1441781180.db2.gz KBSKKVMPAQKRBU-UHFFFAOYSA-N -1 0 328.788 3.079 20 30 EGEDRM CC(Cc1ccsc1)N=Nc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000736066205 1441890818 /nfs/dbraw/zinc/89/08/18/1441890818.db2.gz LQTXGQQZAIQTJG-UHFFFAOYSA-N -1 0 331.405 3.070 20 30 EGEDRM CCOc1ccc(C=N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c(O)c1 ZINC000821417800 1442165023 /nfs/dbraw/zinc/16/50/23/1442165023.db2.gz RYWABVYQWXTIKO-ZDFPAGSVSA-N -1 0 337.383 3.151 20 30 EGEDRM Cc1c(C(=O)C=Cc2cc(C)cc(C)c2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737251987 1443182213 /nfs/dbraw/zinc/18/22/13/1443182213.db2.gz GPKJVMSZKPAMMK-SREVYHEPSA-N -1 0 347.422 3.436 20 30 EGEDRM N#Cc1ccc(NCc2cc(-c3nn[n-]n3)ccc2F)c(Cl)c1 ZINC000822832991 1443788496 /nfs/dbraw/zinc/78/84/96/1443788496.db2.gz LRFZQFMJEWKXQR-UHFFFAOYSA-N -1 0 328.738 3.143 20 30 EGEDRM Fc1ccc(NCC#Cc2ccc(Cl)cc2)cc1-c1nn[n-]n1 ZINC000822779224 1446112330 /nfs/dbraw/zinc/11/23/30/1446112330.db2.gz RNRWITAIMGGMFG-UHFFFAOYSA-N -1 0 327.750 3.123 20 30 EGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H](C)C1CCCC1 ZINC000819743587 1446114529 /nfs/dbraw/zinc/11/45/29/1446114529.db2.gz MREVEZKWQIEVPY-AWEZNQCLSA-N -1 0 339.443 3.208 20 30 EGEDRM O=C1C(=Cc2cc(-c3nnn[n-]3)cs2)CSc2ccccc21 ZINC000823504243 1446447674 /nfs/dbraw/zinc/44/76/74/1446447674.db2.gz NLQAPYVFFDJIJO-UITAMQMPSA-N -1 0 326.406 3.300 20 30 EGEDRM COc1ccc(C)cc1C(=O)C=Cc1ccc(-c2nn[n-]n2)s1 ZINC000821782507 1446536441 /nfs/dbraw/zinc/53/64/41/1446536441.db2.gz GLPQNHUCWBXNFQ-GQCTYLIASA-N -1 0 326.381 3.141 20 30 EGEDRM O=C(C=Cc1nc2c(s1)CCCC2)c1ccc(-c2nn[n-]n2)s1 ZINC000826403613 1446656900 /nfs/dbraw/zinc/65/69/00/1446656900.db2.gz XDNCIPSFAITBHJ-YVMONPNESA-N -1 0 343.437 3.160 20 30 EGEDRM CC(C)(CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1ccccc1 ZINC000735663939 1446997142 /nfs/dbraw/zinc/99/71/42/1446997142.db2.gz AACCRDVKTBSFSF-UHFFFAOYSA-N -1 0 346.394 3.045 20 30 EGEDRM Cc1c(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cccc1[N+](=O)[O-] ZINC000822016222 1447156812 /nfs/dbraw/zinc/15/68/12/1447156812.db2.gz WJTBOFIJHYQTRA-FNORWQNLSA-N -1 0 341.352 3.041 20 30 EGEDRM COc1ccc(-c2nn[n-]n2)cc1CON=Cc1ccc(Cl)cc1 ZINC000826185037 1447342711 /nfs/dbraw/zinc/34/27/11/1447342711.db2.gz WJQXVIRNIWNSEG-UHFFFAOYSA-N -1 0 343.774 3.079 20 30 EGEDRM C#CCOc1cccc(NC(=O)NC2(C(=O)[O-])CCC(CC)CC2)c1 ZINC000797744894 939207548 /nfs/dbraw/zinc/20/75/48/939207548.db2.gz YJZLYDCPUVXYIY-UHFFFAOYSA-N -1 0 344.411 3.244 20 30 EGEDRM C=CC[C@@H](NC(=O)N[C@@]1(C(=O)[O-])CC[C@H](C)CC1)c1ccncc1 ZINC000929033816 939795854 /nfs/dbraw/zinc/79/58/54/939795854.db2.gz NMVKYJDSJHLJMQ-DDUZABMNSA-N -1 0 331.416 3.032 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC(C)(C)[C@H](c2ccccc2)C1 ZINC001602778215 971510970 /nfs/dbraw/zinc/51/09/70/971510970.db2.gz CZQAGBTWERZSKK-KXBFYZLASA-N -1 0 328.412 3.033 20 30 EGEDRM C=C(Cl)CNC(=O)Nc1cc(C(=O)[O-])ccc1Br ZINC000236462300 949910554 /nfs/dbraw/zinc/91/05/54/949910554.db2.gz YIPNDQWVLRUTHE-UHFFFAOYSA-N -1 0 333.569 3.021 20 30 EGEDRM CCN(C(=O)Nc1ccccc1C#Cc1ccccc1)[C@H](C)C(=O)[O-] ZINC001589707262 950307120 /nfs/dbraw/zinc/30/71/20/950307120.db2.gz QLDRVENONBVPGU-OAHLLOKOSA-N -1 0 336.391 3.413 20 30 EGEDRM O=C([O-])CC1(C(=O)Nc2cccc(C#Cc3ccccn3)c2)CCC1 ZINC001594976975 950933019 /nfs/dbraw/zinc/93/30/19/950933019.db2.gz DYVDNRFVEWOUKX-UHFFFAOYSA-N -1 0 334.375 3.065 20 30 EGEDRM O=C([O-])Cc1cccc(NC(=O)C#Cc2ccc(C(F)(F)F)cc2)c1 ZINC001595130588 952031068 /nfs/dbraw/zinc/03/10/68/952031068.db2.gz IVBRUGSRVDHVGC-UHFFFAOYSA-N -1 0 347.292 3.323 20 30 EGEDRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2ccc(C#N)cc2C2CC2)C1 ZINC001589271365 953406902 /nfs/dbraw/zinc/40/69/02/953406902.db2.gz AKVOSHCSQXZICA-BXUZGUMPSA-N -1 0 327.384 3.010 20 30 EGEDRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)C1(c2ccc(C#N)cc2)CCCC1 ZINC001589299867 953684860 /nfs/dbraw/zinc/68/48/60/953684860.db2.gz OILVMOCNJZJUCE-ZBFHGGJFSA-N -1 0 340.423 3.082 20 30 EGEDRM CC(C)CCOc1ccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])c(F)c1 ZINC001603024557 972084032 /nfs/dbraw/zinc/08/40/32/972084032.db2.gz VGAQYIHULJCSMH-KRWDZBQOSA-N -1 0 336.363 3.194 20 30 EGEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001603079941 972149422 /nfs/dbraw/zinc/14/94/22/972149422.db2.gz AEYAJSNTCGAUOQ-VMPITWQZSA-N -1 0 340.335 3.289 20 30 EGEDRM N#CCc1ccsc1C(=O)N1CCCc2cc(C(=O)[O-])ccc21 ZINC001594611285 956212149 /nfs/dbraw/zinc/21/21/49/956212149.db2.gz QLKBETNUPWEEPY-UHFFFAOYSA-N -1 0 326.377 3.105 20 30 EGEDRM N#Cc1ccc(-c2cccc(CNC(=O)[C@@H]3CC[C@H]3C(=O)[O-])c2)s1 ZINC001594617679 956252187 /nfs/dbraw/zinc/25/21/87/956252187.db2.gz SWHCHWHIJUSLIM-HUUCEWRRSA-N -1 0 340.404 3.014 20 30 EGEDRM N#Cc1cccc(NC(=O)c2cccc(C(=O)[O-])c2)c1Br ZINC001594628328 956329989 /nfs/dbraw/zinc/32/99/89/956329989.db2.gz KKAVKVWSLDUGTI-UHFFFAOYSA-N -1 0 345.152 3.271 20 30 EGEDRM C=CCCC[C@H](NC(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1)c1ccccc1 ZINC000902698345 956773245 /nfs/dbraw/zinc/77/32/45/956773245.db2.gz LQWUEKRZNQHKTJ-KSZLIROESA-N -1 0 345.439 3.470 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)N[C@@H]1CCC(C)(C)C[C@H]1c1ccccc1 ZINC001588410669 958140811 /nfs/dbraw/zinc/14/08/11/958140811.db2.gz XVKKOSFREPJSAY-DLBZAZTESA-N -1 0 342.439 3.078 20 30 EGEDRM C#CCN(CC(=O)[O-])Cc1cnn(C2CCCC2)c1-c1ccccc1 ZINC001588425007 958221479 /nfs/dbraw/zinc/22/14/79/958221479.db2.gz BEKFNVJTOKVLDJ-UHFFFAOYSA-N -1 0 337.423 3.185 20 30 EGEDRM C=CCCOCCCCC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001588460363 958473048 /nfs/dbraw/zinc/47/30/48/958473048.db2.gz BCVKMRWFCJKHQQ-ZWKOTPCHSA-N -1 0 345.439 3.076 20 30 EGEDRM C=CCOc1ccc(CNC(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)cc1 ZINC001588466478 958513081 /nfs/dbraw/zinc/51/30/81/958513081.db2.gz STOSRFQDTVWGKX-UHFFFAOYSA-N -1 0 331.412 3.005 20 30 EGEDRM C=CC[S@@](=O)(=NC(=O)c1coc(/C=C/C(=O)[O-])c1)c1ccccc1 ZINC001588469669 958518079 /nfs/dbraw/zinc/51/80/79/958518079.db2.gz STCZVMYUUOUNHS-KDLSMAQYSA-N -1 0 345.376 3.231 20 30 EGEDRM CC(C)(C)CC[C@H](NC(=O)Nc1nc(Cl)c(C#N)s1)C(=O)[O-] ZINC001573395374 958713456 /nfs/dbraw/zinc/71/34/56/958713456.db2.gz LVSVRDSCFRFJNK-ZETCQYMHSA-N -1 0 344.824 3.069 20 30 EGEDRM Cc1cccc(C(=O)[O-])c1NC(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC001594390761 958714606 /nfs/dbraw/zinc/71/46/06/958714606.db2.gz BKWBWKOCJZBEDD-UHFFFAOYSA-N -1 0 346.346 3.003 20 30 EGEDRM CC(=O)c1cc(C#N)ccc1NC(=O)C1(C(=O)[O-])CCCCCC1 ZINC001588527720 958874833 /nfs/dbraw/zinc/87/48/33/958874833.db2.gz ARFLXSNBHUYERT-UHFFFAOYSA-N -1 0 328.368 3.125 20 30 EGEDRM O=C([O-])COc1ccc(/C=C2/Oc3cc(F)cc(F)c3C2=O)cc1 ZINC000184349941 959461252 /nfs/dbraw/zinc/46/12/52/959461252.db2.gz NPAGVDBUKRYHSH-LHHJGKSTSA-N -1 0 332.258 3.044 20 30 EGEDRM C[C@H]1CCc2c(C#N)c(NC(=O)c3ccc(C(=O)[O-])cn3)sc2C1 ZINC001573737909 960461167 /nfs/dbraw/zinc/46/11/67/960461167.db2.gz CLLZXQBDIQBUIG-VIFPVBQESA-N -1 0 341.392 3.090 20 30 EGEDRM C=C(C)CCC(=O)N1Cc2sc(C(=O)[O-])c(Br)c2C1 ZINC001123385587 960466142 /nfs/dbraw/zinc/46/61/42/960466142.db2.gz UBUXQWJDSZCQOA-UHFFFAOYSA-N -1 0 344.230 3.407 20 30 EGEDRM C=CCCC[C@H](C)NC(=O)c1cc(C(=O)[O-])nn1-c1ccccc1 ZINC001324489378 961034788 /nfs/dbraw/zinc/03/47/88/961034788.db2.gz WBCRBXGIZOQTRV-ZDUSSCGKSA-N -1 0 327.384 3.045 20 30 EGEDRM Cc1oc(C#N)cc1C(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC001574444160 961442175 /nfs/dbraw/zinc/44/21/75/961442175.db2.gz VROSIDGZPIAAQX-UHFFFAOYSA-N -1 0 330.365 3.351 20 30 EGEDRM N#Cc1cc(NC(=O)[C@@H](C(=O)[O-])C2CC2)ccc1Oc1ccccc1 ZINC001574486486 961685054 /nfs/dbraw/zinc/68/50/54/961685054.db2.gz YMCIQQNOFFTHIX-KRWDZBQOSA-N -1 0 336.347 3.400 20 30 EGEDRM N#Cc1cccc(C2(NC(=O)Nc3ccc(C(=O)[O-])cc3F)CC2)c1 ZINC001574490050 961708681 /nfs/dbraw/zinc/70/86/81/961708681.db2.gz SRADRURWMXBQAC-UHFFFAOYSA-N -1 0 339.326 3.206 20 30 EGEDRM CC(C)Oc1ccc(NC(=O)[C@]2(C(=O)[O-])CC=CCC2)cc1C#N ZINC001588938232 962518319 /nfs/dbraw/zinc/51/83/19/962518319.db2.gz VSCDCGOIPYEZLM-SFHVURJKSA-N -1 0 328.368 3.095 20 30 EGEDRM C#CCSCC(=O)Oc1ccc2c(c1)c(C(=O)[O-])c(C)n2C1CC1 ZINC001573311643 962707594 /nfs/dbraw/zinc/70/75/94/962707594.db2.gz DBSRNNAWKFYPMM-UHFFFAOYSA-N -1 0 343.404 3.255 20 30 EGEDRM C=C(C)C[C@H](NC(=O)c1sc(-c2ccccc2F)nc1C)C(=O)[O-] ZINC001573323546 962772889 /nfs/dbraw/zinc/77/28/89/962772889.db2.gz CLIBVCAHOMOCLG-ZDUSSCGKSA-N -1 0 348.399 3.407 20 30 EGEDRM C=CCCCCCCCCNC(=O)N[C@@H]1CCCN(C(=O)[O-])C1 ZINC001573366203 963058407 /nfs/dbraw/zinc/05/84/07/963058407.db2.gz KISKJIDSXBDUTN-OAHLLOKOSA-N -1 0 325.453 3.345 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1ccccc1Oc1cccnc1)C(=O)[O-] ZINC001573366963 963063197 /nfs/dbraw/zinc/06/31/97/963063197.db2.gz QNTDPIPAGPXRQB-MRXNPFEDSA-N -1 0 340.379 3.413 20 30 EGEDRM C#CCCCCNC(=O)N1CCC(Cc2ccccc2C(=O)[O-])CC1 ZINC001588441093 964049433 /nfs/dbraw/zinc/04/94/33/964049433.db2.gz AHCSGCYTMNISSZ-UHFFFAOYSA-N -1 0 342.439 3.152 20 30 EGEDRM C=C[C@@H](C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1)c1ccccc1 ZINC001588450597 964097393 /nfs/dbraw/zinc/09/73/93/964097393.db2.gz UFFNYVUEBSJUOB-CEXWTWQISA-N -1 0 335.403 3.283 20 30 EGEDRM C=CC[S@@](=O)(=NC(=O)c1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC001573378682 969808547 /nfs/dbraw/zinc/80/85/47/969808547.db2.gz REQMYZJPNSDXRF-QHCPKHFHSA-N -1 0 329.377 3.238 20 30 EGEDRM Cc1ccc(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])c(OCCC(C)C)c1 ZINC001605273835 973064296 /nfs/dbraw/zinc/06/42/96/973064296.db2.gz SUCQADAWHMLREJ-LJQANCHMSA-N -1 0 346.427 3.041 20 30 EGEDRM N#Cc1ccc(N2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1Br ZINC000405370136 973853391 /nfs/dbraw/zinc/85/33/91/973853391.db2.gz OSBOXVSETVNYLE-GFCCVEGCSA-N -1 0 335.201 3.012 20 30 EGEDRM N#CCCCOc1cccc(NC(=O)[C@]2(C(=O)[O-])CC=CCC2)c1 ZINC001605582262 973865865 /nfs/dbraw/zinc/86/58/65/973865865.db2.gz XUAHNICFKNORIL-SFHVURJKSA-N -1 0 328.368 3.119 20 30 EGEDRM N#Cc1c2ccccc2[nH]c1C(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21 ZINC001605590420 973883387 /nfs/dbraw/zinc/88/33/87/973883387.db2.gz DOMZTPHIMPWZMM-CQSZACIVSA-N -1 0 345.358 3.258 20 30 EGEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC001591758608 975836016 /nfs/dbraw/zinc/83/60/16/975836016.db2.gz IBDOGNYTIJLFMM-UONOGXRCSA-N -1 0 345.399 3.110 20 30 EGEDRM CC(C)c1nc(NC(=O)/C=C/c2ccccc2C#N)sc1C(=O)[O-] ZINC001592021393 976715166 /nfs/dbraw/zinc/71/51/66/976715166.db2.gz CNJODOFFGJSMFX-BQYQJAHWSA-N -1 0 341.392 3.488 20 30 EGEDRM C[C@@](CC(=O)[O-])(NCC#Cc1ccccc1Cl)c1ccccn1 ZINC001592321577 977722209 /nfs/dbraw/zinc/72/22/09/977722209.db2.gz MTYLGLQENTVAOS-SFHVURJKSA-N -1 0 328.799 3.066 20 30 EGEDRM COCCCOc1cccc(C=NNc2ccccc2C(=O)[O-])c1 ZINC000746488658 978685790 /nfs/dbraw/zinc/68/57/90/978685790.db2.gz JPCCDKBJQHCTCW-UHFFFAOYSA-N -1 0 328.368 3.246 20 30 EGEDRM COc1cc(F)c(C(C)=NNc2cccc(C(=O)[O-])c2)cc1OC ZINC000760216638 978705400 /nfs/dbraw/zinc/70/54/00/978705400.db2.gz RKZQESNFKYEJPX-UHFFFAOYSA-N -1 0 332.331 3.377 20 30 EGEDRM Cc1cc(Br)ccc1CN=Nc1ccc(C(=O)[O-])cn1 ZINC000763371925 978722571 /nfs/dbraw/zinc/72/25/71/978722571.db2.gz MBZIJYFJJJHHRR-UHFFFAOYSA-N -1 0 334.173 3.297 20 30 EGEDRM O=C([O-])c1cccc(/C=C\C(=O)c2ccc(N3CCOCC3)cc2)c1 ZINC000765823635 978723960 /nfs/dbraw/zinc/72/39/60/978723960.db2.gz GGIVTSBNFHWZGZ-WTKPLQERSA-N -1 0 337.375 3.118 20 30 EGEDRM C[C@H](Oc1ccc(/C=C2\Cc3ccc(C#N)cc3C2=O)cc1)C(=O)[O-] ZINC000811696612 978855115 /nfs/dbraw/zinc/85/51/15/978855115.db2.gz UQYRDDYJBMEPRI-WIJRQFRKSA-N -1 0 333.343 3.233 20 30 EGEDRM COc1ccc(C(=O)/C=C\c2ccc(O[C@H](C)C(=O)[O-])cc2)cc1O ZINC000811699398 978856094 /nfs/dbraw/zinc/85/60/94/978856094.db2.gz TXEIZJBPFUNJMG-DJTUGOFGSA-N -1 0 342.347 3.149 20 30 EGEDRM CC(N=Nc1ccc(CC(=O)[O-])cc1)[C@@H](C)NC(=O)OC(C)(C)C ZINC000848414583 979466644 /nfs/dbraw/zinc/46/66/44/979466644.db2.gz PHHOROUACKZDTO-LLVKDONJSA-N -1 0 335.404 3.015 20 30 EGEDRM C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000849239549 979490676 /nfs/dbraw/zinc/49/06/76/979490676.db2.gz UBOIMBRTBOGZCZ-CYBMUJFWSA-N -1 0 345.399 3.086 20 30 EGEDRM CC[C@@H](CNC(=O)Nc1ccccc1S[C@H](C)CC#N)C(=O)[O-] ZINC001595154546 979659875 /nfs/dbraw/zinc/65/98/75/979659875.db2.gz OBVDNOZEGOHXDX-NEPJUHHUSA-N -1 0 335.429 3.313 20 30 EGEDRM CC[C@H](CNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)C(=O)[O-] ZINC001595163597 979699558 /nfs/dbraw/zinc/69/95/58/979699558.db2.gz ROWYJNHGTYLSMD-CQSZACIVSA-N -1 0 338.363 3.191 20 30 EGEDRM CC(F)(F)C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC001592934120 979990273 /nfs/dbraw/zinc/99/02/73/979990273.db2.gz DLUHDLPHINSFEA-UHFFFAOYSA-N -1 0 329.302 3.378 20 30 EGEDRM C=CC1(CC(=O)N[C@@H]2CCOC3(CC(C(=O)[O-])C3)C2)CCCCC1 ZINC000907763850 981216078 /nfs/dbraw/zinc/21/60/78/981216078.db2.gz SBCQWRCAMFTUFF-XAUUPUKJSA-N -1 0 335.444 3.042 20 30 EGEDRM C#CCCCCC(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC000909628308 981555852 /nfs/dbraw/zinc/55/58/52/981555852.db2.gz FRJXDAYNRWHURE-JKSUJKDBSA-N -1 0 333.815 3.160 20 30 EGEDRM C=CCCC[C@@H](C(=O)N[C@H](CC(F)F)C(=O)[O-])c1ccccc1 ZINC000909774381 981615031 /nfs/dbraw/zinc/61/50/31/981615031.db2.gz JBIHSWBZBFDDJU-ZIAGYGMSSA-N -1 0 325.355 3.351 20 30 EGEDRM CCCC[C@@H](NC(=O)C1(c2ccc(C#N)cc2)CCCC1)C(=O)[O-] ZINC001595635136 981899296 /nfs/dbraw/zinc/89/92/96/981899296.db2.gz YEYRDVFFSPNMRU-MRXNPFEDSA-N -1 0 328.412 3.130 20 30 EGEDRM CCCC[C@@H](NC(=O)c1sc2ccc(C#N)cc2c1C)C(=O)[O-] ZINC001595637549 981933215 /nfs/dbraw/zinc/93/32/15/981933215.db2.gz LFEREJVERIEHRF-CYBMUJFWSA-N -1 0 330.409 3.455 20 30 EGEDRM C#CCC1(C(=O)Nc2nc3c(s2)CC[C@@H](C(=O)[O-])C3)CCCCC1 ZINC000910678835 982054253 /nfs/dbraw/zinc/05/42/53/982054253.db2.gz ZDGBIOQCNQBLTI-GFCCVEGCSA-N -1 0 346.452 3.245 20 30 EGEDRM C=CCCC[C@H](NC(=O)[C@@H](C)c1cn(C)c2ccccc12)C(=O)[O-] ZINC000910917764 982164366 /nfs/dbraw/zinc/16/43/66/982164366.db2.gz VIKXGRGNEJKUJM-BBRMVZONSA-N -1 0 328.412 3.208 20 30 EGEDRM CC[C@@H](C)[C@H](NC(=O)c1ccc(C#Cc2ccccc2)cc1)C(=O)[O-] ZINC001594912793 982425497 /nfs/dbraw/zinc/42/54/97/982425497.db2.gz UPKWKUNGMNCVLV-BEFAXECRSA-N -1 0 335.403 3.316 20 30 EGEDRM CCCCC1N=NC(=S)N1N=Cc1cc(C(=O)[O-])ccc1Cl ZINC001595799460 982613545 /nfs/dbraw/zinc/61/35/45/982613545.db2.gz RPIORJUYIRXDRZ-UHFFFAOYSA-N -1 0 338.820 3.143 20 30 EGEDRM C#C[C@@H](N[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1)C1CCOCC1 ZINC001588378155 983361819 /nfs/dbraw/zinc/36/18/19/983361819.db2.gz VSFXHAJWLNLXNB-CABCVRRESA-N -1 0 342.222 3.137 20 30 EGEDRM C#CC[C@H](NC(=O)C1(c2ccc(Cl)cc2)CCCCC1)C(=O)[O-] ZINC001588398758 983413638 /nfs/dbraw/zinc/41/36/38/983413638.db2.gz MEUFAGAEHIIPPO-HNNXBMFYSA-N -1 0 333.815 3.135 20 30 EGEDRM C#CC[C@@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2)c1)C(=O)[O-] ZINC001588416201 983436389 /nfs/dbraw/zinc/43/63/89/983436389.db2.gz KUSAJLGDZVTGQD-MRXNPFEDSA-N -1 0 343.766 3.339 20 30 EGEDRM C#CCC1(C(=O)Nc2ccc(C(=O)[O-])c(C(=O)OC)c2)CCCCC1 ZINC001588428358 983461464 /nfs/dbraw/zinc/46/14/64/983461464.db2.gz LNVZJVPNRZQXSI-UHFFFAOYSA-N -1 0 343.379 3.084 20 30 EGEDRM C#CCN(C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1)C1CCCC1 ZINC001588459838 983486460 /nfs/dbraw/zinc/48/64/60/983486460.db2.gz LGZNUEZDHIWWPB-UHFFFAOYSA-N -1 0 325.368 3.276 20 30 EGEDRM C#CCO[C@H](C)C(=O)Nc1c(-c2ccc(C)cc2)csc1C(=O)[O-] ZINC001588490849 983534430 /nfs/dbraw/zinc/53/44/30/983534430.db2.gz ZUHFCBYVSXVKIT-GFCCVEGCSA-N -1 0 343.404 3.399 20 30 EGEDRM C#CCOc1ccc(F)cc1NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001588498035 983543017 /nfs/dbraw/zinc/54/30/17/983543017.db2.gz RHIFEKOKWIHXNX-UHFFFAOYSA-N -1 0 344.298 3.056 20 30 EGEDRM C#Cc1ccc(C(=O)Nc2ccc(N3CCCCC3)c(C(=O)[O-])c2)nc1 ZINC001588516401 983560766 /nfs/dbraw/zinc/56/07/66/983560766.db2.gz KBUGXXJDLYELRK-UHFFFAOYSA-N -1 0 349.390 3.004 20 30 EGEDRM C=C(C)[C@H](NC(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C)c1ccc(F)c(F)c1 ZINC001588534483 983585878 /nfs/dbraw/zinc/58/58/78/983585878.db2.gz GZKZDWXSUIEHRX-HCKVZZMMSA-N -1 0 338.354 3.087 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)[C@H](C)c1cccc(Br)c1)C(=O)[O-] ZINC001588537681 983601291 /nfs/dbraw/zinc/60/12/91/983601291.db2.gz VVQUHHSAAIRKOG-ZWNOBZJWSA-N -1 0 340.217 3.088 20 30 EGEDRM C=C(C)C[C@H](NC(=O)/C=C\c1ccccc1O[C@H](C)CC)C(=O)[O-] ZINC001588540391 983603462 /nfs/dbraw/zinc/60/34/62/983603462.db2.gz FJKYNCVZAWFJDK-WVCYMSHISA-N -1 0 331.412 3.413 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)c1ccc(COc2ccc(F)cc2)o1)C(=O)[O-] ZINC001588546392 983615243 /nfs/dbraw/zinc/61/52/43/983615243.db2.gz ITWMSLICIGQOIF-OAHLLOKOSA-N -1 0 347.342 3.147 20 30 EGEDRM C=C(C)C[C@H](Nc1cc(C)c(C#N)c2nc3ccccc3n21)C(=O)[O-] ZINC001588555956 983638237 /nfs/dbraw/zinc/63/82/37/983638237.db2.gz YCIJCZTUQSCUQD-HNNXBMFYSA-N -1 0 334.379 3.499 20 30 EGEDRM C=C(C)Cn1c([C@H](C)C2CCC2)nnc1N1CC[C@@](C)(C(=O)[O-])C1 ZINC001588589992 983668890 /nfs/dbraw/zinc/66/88/90/983668890.db2.gz VSGXXTKSTXDWSF-FZKQIMNGSA-N -1 0 332.448 3.059 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1scc(C2CC2)c1C(=O)OCC ZINC001588633438 983749185 /nfs/dbraw/zinc/74/91/85/983749185.db2.gz NBCXHJNZJIITCW-UHFFFAOYSA-N -1 0 337.397 3.162 20 30 EGEDRM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1cc(C(=O)[O-])cc(OC)c1OC ZINC001588644259 983769018 /nfs/dbraw/zinc/76/90/18/983769018.db2.gz LVPJYSFWJUTTCA-BETUJISGSA-N -1 0 346.383 3.117 20 30 EGEDRM C=CC(C)(C)CC(=O)Nc1ccc(OCC(=O)[O-])c2ncccc12 ZINC001588672933 983827890 /nfs/dbraw/zinc/82/78/90/983827890.db2.gz FEQXZWROZLYADH-UHFFFAOYSA-N -1 0 328.368 3.239 20 30 EGEDRM C=C[C@@](C)(CCOC)C(=O)OCc1ccc(C(=O)[O-])c(Cl)c1 ZINC001588683339 983847878 /nfs/dbraw/zinc/84/78/78/983847878.db2.gz XKAMTZUNFWNNQX-INIZCTEOSA-N -1 0 326.776 3.310 20 30 EGEDRM C=CC[C@@H](C(=O)NCc1ccc(OC)c(C(=O)[O-])c1)c1ccccc1 ZINC001588722344 983974165 /nfs/dbraw/zinc/97/41/65/983974165.db2.gz YSGHSJRXASKCPX-MRXNPFEDSA-N -1 0 339.391 3.370 20 30 EGEDRM C=CCC(F)(F)C(=O)N[C@H](C[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC001588742472 984032754 /nfs/dbraw/zinc/03/27/54/984032754.db2.gz DTFMFIFPLMVPFA-UKRRQHHQSA-N -1 0 337.366 3.277 20 30 EGEDRM C=CC[C@@H](OC(=O)/C(C)=C\c1ccc(Br)o1)C(=O)[O-] ZINC001588750254 984070808 /nfs/dbraw/zinc/07/08/08/984070808.db2.gz DIQGEYFLFGMGKO-GQYWMQPJSA-N -1 0 329.146 3.018 20 30 EGEDRM C=CCCC[C@@H](NC(=O)CCc1cncc2ccccc21)C(=O)[O-] ZINC001588788718 984192398 /nfs/dbraw/zinc/19/23/98/984192398.db2.gz LEBWBGHLZBHKCL-QGZVFWFLSA-N -1 0 326.396 3.093 20 30 EGEDRM C=CCCC[C@@H](NC(=O)COc1cc(C)ccc1C(C)C)C(=O)[O-] ZINC001588788940 984194594 /nfs/dbraw/zinc/19/45/94/984194594.db2.gz SFMGOVHQQAMEQL-MRXNPFEDSA-N -1 0 333.428 3.423 20 30 EGEDRM C=CCCC[C@H](NC(=O)COc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC001588788948 984195261 /nfs/dbraw/zinc/19/52/61/984195261.db2.gz SITHWWIJJYSSCT-ZDUSSCGKSA-N -1 0 345.317 3.010 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1cc(F)c(Cl)c(N)c1Cl)C(=O)[O-] ZINC001588793042 984215727 /nfs/dbraw/zinc/21/57/27/984215727.db2.gz ROIQBAJXHKXBCB-VIFPVBQESA-N -1 0 349.189 3.254 20 30 EGEDRM C=CCCCNC(=O)Nc1cc(Br)c(F)c(C(=O)[O-])c1 ZINC001588803699 984251683 /nfs/dbraw/zinc/25/16/83/984251683.db2.gz DPEFLZIGFIYMQK-UHFFFAOYSA-N -1 0 345.168 3.374 20 30 EGEDRM C=CCN(C(=O)Nc1sc(CC)cc1C(=O)[O-])[C@@H](C)COC ZINC001588820798 984286100 /nfs/dbraw/zinc/28/61/00/984286100.db2.gz SJPSXTPINKIMBB-JTQLQIEISA-N -1 0 326.418 3.064 20 30 EGEDRM C=CCN(CC(=O)OCC)Cc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC001588823918 984294492 /nfs/dbraw/zinc/29/44/92/984294492.db2.gz CPHNJKPCQKAVQJ-UHFFFAOYSA-N -1 0 343.379 3.196 20 30 EGEDRM C=CCOc1ccc(-c2nnc(S[C@@H](CC=C)C(=O)[O-])o2)cc1 ZINC001588869700 984440859 /nfs/dbraw/zinc/44/08/59/984440859.db2.gz VPKCMXBKWUMJPQ-ZDUSSCGKSA-N -1 0 332.381 3.423 20 30 EGEDRM C=CCOc1ccc(CC(=O)Nc2c(C)ccc(C(=O)[O-])c2O)cc1 ZINC001588874165 984447885 /nfs/dbraw/zinc/44/78/85/984447885.db2.gz YYPSAIMPVBQHNH-UHFFFAOYSA-N -1 0 341.363 3.145 20 30 EGEDRM C=CCOc1ccccc1CNCc1ccccc1OCC(=O)[O-] ZINC001588877468 984453206 /nfs/dbraw/zinc/45/32/06/984453206.db2.gz RDQURWRUVLEKMF-UHFFFAOYSA-N -1 0 327.380 3.005 20 30 EGEDRM C=CCSCCNC(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC001588879688 984458368 /nfs/dbraw/zinc/45/83/68/984458368.db2.gz IHTKNYOEOXUTEO-UHFFFAOYSA-N -1 0 338.429 3.213 20 30 EGEDRM C=CCn1c(CC(C)(C)C)nnc1N1CCC[C@H](CCC(=O)[O-])C1 ZINC001588897289 984509259 /nfs/dbraw/zinc/50/92/59/984509259.db2.gz JGPGMVJAZNQVJQ-CQSZACIVSA-N -1 0 334.464 3.134 20 30 EGEDRM CC#CCCCC(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC001588926909 984595053 /nfs/dbraw/zinc/59/50/53/984595053.db2.gz CDNPDBYIMZTKTR-UHFFFAOYSA-N -1 0 343.301 3.458 20 30 EGEDRM CC(N=Nc1cccc(F)c1C(=O)[O-])[C@H](C)NC(=O)OC(C)(C)C ZINC001589017188 985001879 /nfs/dbraw/zinc/00/18/79/985001879.db2.gz AQIJQWLLURYITG-VIFPVBQESA-N -1 0 339.367 3.225 20 30 EGEDRM CC(=O)c1cc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)ccc1C ZINC001589268559 985955345 /nfs/dbraw/zinc/95/53/45/985955345.db2.gz UUVSYOCUMKTCJY-KRWDZBQOSA-N -1 0 337.331 3.052 20 30 EGEDRM Cc1c(C#N)cccc1NC(=O)N1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001599975196 986078314 /nfs/dbraw/zinc/07/83/14/986078314.db2.gz VCOLFNAMTAIUPL-HXUWFJFHSA-N -1 0 349.390 3.127 20 30 EGEDRM Cc1c2cc(C#N)ccc2sc1C(=O)N[C@@H](C(=O)[O-])C(C)(C)C ZINC001599978969 986134593 /nfs/dbraw/zinc/13/45/93/986134593.db2.gz ZMQZLXOWZXKFLW-AWEZNQCLSA-N -1 0 330.409 3.311 20 30 EGEDRM C[C@@H](C#N)Cn1nc(C(=O)[O-])cc1-c1ccccc1Br ZINC001589331309 986183680 /nfs/dbraw/zinc/18/36/80/986183680.db2.gz ALFWFXVHCIYICS-VIFPVBQESA-N -1 0 334.173 3.170 20 30 EGEDRM C[C@H](C#N)Oc1ccccc1NC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001589334755 986204620 /nfs/dbraw/zinc/20/46/20/986204620.db2.gz JEXWTYBFOIWWBC-LLVKDONJSA-N -1 0 325.324 3.320 20 30 EGEDRM CCOc1cc(C#N)cc(Cl)c1OC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001596993644 986287329 /nfs/dbraw/zinc/28/73/29/986287329.db2.gz PCGMYIWRHCYNAX-MNOVXSKESA-N -1 0 337.759 3.017 20 30 EGEDRM C[C@H](C(=O)[O-])c1ccc(NC(=O)NCc2cc(C#N)ccc2F)cc1 ZINC001589511693 987142174 /nfs/dbraw/zinc/14/21/74/987142174.db2.gz FQJFIYXQQLEWBK-NSHDSACASA-N -1 0 341.342 3.207 20 30 EGEDRM C[C@H](C(=O)OCc1cccc(C(=O)[O-])c1C#N)c1ccc(F)c(F)c1 ZINC001589548344 987275609 /nfs/dbraw/zinc/27/56/09/987275609.db2.gz ZWWVUFKMATXPKD-JTQLQIEISA-N -1 0 345.301 3.382 20 30 EGEDRM CC(C)(C#N)CC(=O)OCc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001589553991 987296570 /nfs/dbraw/zinc/29/65/70/987296570.db2.gz RLMMXJXGPSDTMJ-UHFFFAOYSA-N -1 0 344.392 3.491 20 30 EGEDRM CC(C)(C#N)c1ccc(C(=O)NCc2ccc(CC(=O)[O-])cc2)cc1 ZINC001589558727 987311179 /nfs/dbraw/zinc/31/11/79/987311179.db2.gz TVPUPXFNHCJURQ-UHFFFAOYSA-N -1 0 336.391 3.045 20 30 EGEDRM CC(C)(C(=O)O[C@H]1CCC[C@H](C(=O)[O-])C1)c1cc(F)cc(C#N)c1 ZINC001589681137 987709955 /nfs/dbraw/zinc/70/99/55/987709955.db2.gz UBBSCQXIOGRJRW-WFASDCNBSA-N -1 0 333.359 3.162 20 30 EGEDRM CC(C)(C)C#CC(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC001589684190 987720070 /nfs/dbraw/zinc/72/00/70/987720070.db2.gz BLFIIRVKVZATPJ-UHFFFAOYSA-N -1 0 343.301 3.314 20 30 EGEDRM CC(C)(C)[C@H]1CCC[C@H](NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)CC1 ZINC001589728387 987931791 /nfs/dbraw/zinc/93/17/91/987931791.db2.gz KEPVPQAGVVUDRM-GJZGRUSLSA-N -1 0 349.475 3.381 20 30 EGEDRM CCc1ccc([C@H](C#N)N(C)C(=O)c2ccc(C(=O)[O-])c(F)c2)cc1 ZINC001597508266 988085925 /nfs/dbraw/zinc/08/59/25/988085925.db2.gz KBMUYDXRCSKBAU-KRWDZBQOSA-N -1 0 340.354 3.423 20 30 EGEDRM CCc1nc(NC(=O)c2ccc(C#N)c(Cl)c2)sc1C(=O)[O-] ZINC001597682132 988819055 /nfs/dbraw/zinc/81/90/55/988819055.db2.gz QPRXMBACWJXSJM-UHFFFAOYSA-N -1 0 335.772 3.181 20 30 EGEDRM CCc1oc(C=NNc2cncc(Br)c2)cc1C(=O)[O-] ZINC001597792651 989332512 /nfs/dbraw/zinc/33/25/12/989332512.db2.gz CLTDMGKRDMCPAV-UHFFFAOYSA-N -1 0 338.161 3.144 20 30 EGEDRM CC(C)(C)c1ccc(C(=O)OCC#Cc2cccc(C(=O)[O-])c2)nc1 ZINC001590481443 990072624 /nfs/dbraw/zinc/07/26/24/990072624.db2.gz CAHNYTKLBWPBRM-UHFFFAOYSA-N -1 0 337.375 3.286 20 30 EGEDRM CC(C)(CC(F)(F)F)C(=O)OCC#Cc1cccc(C(=O)[O-])c1 ZINC001590648826 990334647 /nfs/dbraw/zinc/33/46/47/990334647.db2.gz IUYZZWGTMNFMGC-UHFFFAOYSA-N -1 0 328.286 3.258 20 30 EGEDRM CC(C)(CNc1nc2c(c(C#N)c1C#N)CCCCCC2)C(=O)[O-] ZINC001590779881 990589717 /nfs/dbraw/zinc/58/97/17/990589717.db2.gz FAXMOLQIZXIAHL-UHFFFAOYSA-N -1 0 326.400 3.007 20 30 EGEDRM CN(CC(C)(C)C#N)C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001598420071 991756626 /nfs/dbraw/zinc/75/66/26/991756626.db2.gz SPDHONNALYVBPT-AWEZNQCLSA-N -1 0 331.416 3.030 20 30 EGEDRM CC(C)C[C@H](C(=O)N(CC#N)CCC(=O)[O-])c1ccc(Cl)cc1 ZINC001591118147 991781462 /nfs/dbraw/zinc/78/14/62/991781462.db2.gz MPLKWJABKMGBHF-HNNXBMFYSA-N -1 0 336.819 3.297 20 30 EGEDRM CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC001591596595 992824243 /nfs/dbraw/zinc/82/42/43/992824243.db2.gz ITFSSENYMXZTFK-CSKARUKUSA-N -1 0 338.363 3.300 20 30 EGEDRM C[C@H](NC(=O)Nc1cccc(CCC(=O)[O-])c1)c1cccc(C#N)c1 ZINC001593118518 993830647 /nfs/dbraw/zinc/83/06/47/993830647.db2.gz NTPVMAABVIBBGY-ZDUSSCGKSA-N -1 0 337.379 3.458 20 30 EGEDRM C[C@H](Nc1ccc([N+](=O)[O-])cc1C#N)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593366552 995051061 /nfs/dbraw/zinc/05/10/61/995051061.db2.gz ZEDYMJRSEOXQMU-LRDDRELGSA-N -1 0 339.351 3.210 20 30 EGEDRM C[C@H](c1cccc(C#N)c1)N(C)C(=O)CCc1ccccc1C(=O)[O-] ZINC001593698391 996164023 /nfs/dbraw/zinc/16/40/23/996164023.db2.gz IROLAHBTLOUAQA-CQSZACIVSA-N -1 0 336.391 3.409 20 30 EGEDRM C[C@H](c1ccccn1)N(Cc1ccoc1C(=O)[O-])C(=O)CCCC#N ZINC001593720592 996251479 /nfs/dbraw/zinc/25/14/79/996251479.db2.gz WJEVTMMGIBMSSI-CYBMUJFWSA-N -1 0 341.367 3.156 20 30 EGEDRM C[C@]1(C#N)CCCN([C@H](C(=O)[O-])c2ccccc2Br)C1 ZINC001593742541 996360679 /nfs/dbraw/zinc/36/06/79/996360679.db2.gz AUPPUQJVPFOLDP-DZGCQCFKSA-N -1 0 337.217 3.200 20 30 EGEDRM C[C@@]1(C(=O)[O-])CCCN(C(=O)N[C@@H](CCCC#N)c2ccccc2)C1 ZINC001593767378 996449685 /nfs/dbraw/zinc/44/96/85/996449685.db2.gz BANLRHWETJHJTF-QFBILLFUSA-N -1 0 343.427 3.318 20 30 EGEDRM CC1(C)CCC[C@@](NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)(C(=O)[O-])C1 ZINC001593893060 996745715 /nfs/dbraw/zinc/74/57/15/996745715.db2.gz WZICFYCMFNRDOR-YRNRMSPPSA-N -1 0 340.423 3.202 20 30 EGEDRM COc1ccc(C(=O)OCc2cccc(C(=O)[O-])c2C#N)c(Cl)c1 ZINC001599504547 997188445 /nfs/dbraw/zinc/18/84/45/997188445.db2.gz FRIJMXGAKTWJEP-UHFFFAOYSA-N -1 0 345.738 3.275 20 30 EGEDRM COc1ccc([C@H](CC(=O)[O-])/N=C\c2ccccc2O)c(OC)c1 ZINC001599508275 997250615 /nfs/dbraw/zinc/25/06/15/997250615.db2.gz NNNXHTWSOVZTQQ-VUQQOUJSSA-N -1 0 329.352 3.044 20 30 EGEDRM COc1cc(NCc2ccc(C#N)cc2F)c(C(=O)[O-])cc1OC ZINC001599444081 997978224 /nfs/dbraw/zinc/97/82/24/997978224.db2.gz UXLSLIGVMHMKRX-UHFFFAOYSA-N -1 0 330.315 3.025 20 30 EGEDRM COc1cc(C#N)ccc1C(=O)Nc1nc(C(=O)[O-])c(C(C)C)s1 ZINC001599349334 998066197 /nfs/dbraw/zinc/06/61/97/998066197.db2.gz OXIVIXQBRGRNNC-UHFFFAOYSA-N -1 0 345.380 3.097 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1NC(=O)C[C@@H](CC#N)c1ccccc1 ZINC001599369245 998385184 /nfs/dbraw/zinc/38/51/84/998385184.db2.gz AHCAUVHPRXOKQP-CQSZACIVSA-N -1 0 338.363 3.419 20 30 EGEDRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC001594156982 998573285 /nfs/dbraw/zinc/57/32/85/998573285.db2.gz PCKVMAFKPRHRJA-DNVCBOLYSA-N -1 0 348.402 3.413 20 30 EGEDRM C[C@@H]1C[C@@H](CON=C(CCCCC(=O)[O-])C(F)(F)F)CCO1 ZINC001594242390 998920296 /nfs/dbraw/zinc/92/02/96/998920296.db2.gz HIIJNXZJJQQWNT-MNOVXSKESA-N -1 0 325.327 3.381 20 30 EGEDRM C[C@@H]1CC[C@](NC(=O)Cc2cccc(C#N)c2)(C(=O)[O-])c2ccccc21 ZINC001594312695 999200663 /nfs/dbraw/zinc/20/06/63/999200663.db2.gz CRRNTKHUJONNQJ-SPLOXXLWSA-N -1 0 348.402 3.094 20 30 EGEDRM C[C@H]1CC[C@](NC(=O)Cc2ccc(C#N)cc2)(C(=O)[O-])c2ccccc21 ZINC001594315547 999222416 /nfs/dbraw/zinc/22/24/16/999222416.db2.gz YTHZOTOCFQMHEX-LHSJRXKWSA-N -1 0 348.402 3.094 20 30 EGEDRM C[C@@H]1CC[C@@](NC(=O)c2sccc2C#N)(C(=O)[O-])c2ccccc21 ZINC001594324304 999250916 /nfs/dbraw/zinc/25/09/16/999250916.db2.gz ZGILVNXURABCGF-ZMZPIMSZSA-N -1 0 340.404 3.227 20 30 EGEDRM COc1cc(C(=O)[N-]S(C)(=O)=O)cc(Cl)c1OCCC(C)C ZINC000040129818 213270217 /nfs/dbraw/zinc/27/02/17/213270217.db2.gz IWYKHHSTJWCCHR-UHFFFAOYSA-N -1 0 349.836 3.038 20 30 EGEDRM N#Cc1cc([N-]S(=O)(=O)c2ccc(Cl)nc2)ccc1Cl ZINC000010514918 211179224 /nfs/dbraw/zinc/17/92/24/211179224.db2.gz AATOCOCNLBXOJV-UHFFFAOYSA-N -1 0 328.180 3.061 20 30 EGEDRM O=C(CCn1ccc2cc(Cl)ccc21)[N-]S(=O)(=O)CCCF ZINC000095443337 218388180 /nfs/dbraw/zinc/38/81/80/218388180.db2.gz VXWDYLSRZGXXKX-UHFFFAOYSA-N -1 0 346.811 3.331 20 30 EGEDRM Cc1cn([C@@H](C)c2ccccc2)[nH]c1=NC(=O)c1ccc(C#N)c([O-])c1 ZINC000351775357 144305160 /nfs/dbraw/zinc/30/51/60/144305160.db2.gz QJZIJRKDZYFDML-AWEZNQCLSA-N -1 0 346.390 3.052 20 30 EGEDRM CC(C)(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)o2)cc1 ZINC000340943448 163699138 /nfs/dbraw/zinc/69/91/38/163699138.db2.gz ANBZOGPRMQUGFM-UHFFFAOYSA-N -1 0 332.381 3.181 20 30 EGEDRM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccccc3C#N)cc(Cl)c2O1 ZINC000343809943 164040474 /nfs/dbraw/zinc/04/04/74/164040474.db2.gz AWUVLOWUSDEOQN-SNVBAGLBSA-N -1 0 348.811 3.336 20 30 EGEDRM N#Cc1cccc(-c2c[nH]c(CN=c3nc(-c4ccccc4)o[n-]3)n2)c1 ZINC000364921598 168002080 /nfs/dbraw/zinc/00/20/80/168002080.db2.gz DBXQCIFLVPTMRL-UHFFFAOYSA-N -1 0 342.362 3.032 20 30 EGEDRM Cc1cccc([N-]S(=O)(=O)c2cccc3c2OC(C)(C)C3)c1C#N ZINC000410334517 270046196 /nfs/dbraw/zinc/04/61/96/270046196.db2.gz FULJJWMLLKWIEK-UHFFFAOYSA-N -1 0 342.420 3.381 20 30 EGEDRM Cc1cc2sc([N-]S(=O)(=O)c3ccc(C#N)cc3)nc2cc1F ZINC000481885350 270055814 /nfs/dbraw/zinc/05/58/14/270055814.db2.gz ZTJOUZRUNQPLGC-UHFFFAOYSA-N -1 0 347.396 3.416 20 30 EGEDRM CC1(C)Cc2cccc(S(=O)(=O)[N-]c3ccc(F)cc3C#N)c2O1 ZINC000192621920 265972752 /nfs/dbraw/zinc/97/27/52/265972752.db2.gz IILGOGNBQKFBEA-UHFFFAOYSA-N -1 0 346.383 3.212 20 30 EGEDRM CCN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)[C@H](C)c1ccc(C#N)cc1 ZINC000164349935 266097477 /nfs/dbraw/zinc/09/74/77/266097477.db2.gz ZIMPDNSGTFDKNT-GFCCVEGCSA-N -1 0 339.351 3.395 20 30 EGEDRM CC1(C)Cc2cccc(S(=O)(=O)[N-]c3ccc(C#N)cc3)c2O1 ZINC000195504030 266184835 /nfs/dbraw/zinc/18/48/35/266184835.db2.gz QBJINBADACAVBT-UHFFFAOYSA-N -1 0 328.393 3.073 20 30 EGEDRM COc1cc(SC)ccc1[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435503585 267596231 /nfs/dbraw/zinc/59/62/31/267596231.db2.gz DJCZJTPMMMKPLC-UHFFFAOYSA-N -1 0 340.451 3.151 20 30 EGEDRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)C=Cc1ccc(C#N)cc1 ZINC000493761498 268023048 /nfs/dbraw/zinc/02/30/48/268023048.db2.gz WLCXDBSVSYQKBI-VQHVLOKHSA-N -1 0 345.362 3.009 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cncc3ccccc32)cc1F ZINC000515197153 268261159 /nfs/dbraw/zinc/26/11/59/268261159.db2.gz LYOWYMHWRPMXNC-UHFFFAOYSA-N -1 0 327.340 3.046 20 30 EGEDRM CC(C)C[C@H](C)n1nccc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000340040272 279120115 /nfs/dbraw/zinc/12/01/15/279120115.db2.gz ALHOPTQZVIJXBB-ZDUSSCGKSA-N -1 0 332.429 3.163 20 30 EGEDRM N#Cc1cc(NC(=O)c2ccc(Br)cc2[O-])ccc1F ZINC000051637474 307331404 /nfs/dbraw/zinc/33/14/04/307331404.db2.gz BUSWAYONBZZGCJ-UHFFFAOYSA-N -1 0 335.132 3.418 20 30 EGEDRM Cc1nc2scc(C3CC3)n2c1CN=c1[nH][n-]c(C2CC2)c1C#N ZINC000565530119 316336366 /nfs/dbraw/zinc/33/63/66/316336366.db2.gz TWGAMQHGTRNLSO-UHFFFAOYSA-N -1 0 338.440 3.088 20 30 EGEDRM Cc1cc(CN=c2[n-]nc(Cc3ccc(F)cc3)s2)ccc1C#N ZINC000566600500 316500773 /nfs/dbraw/zinc/50/07/73/316500773.db2.gz KCMWXMWFTFSVTA-UHFFFAOYSA-N -1 0 338.411 3.482 20 30 EGEDRM COC[C@H](C)Oc1cccc(-c2cc(OCC(=O)[O-])ccc2C#N)c1 ZINC000569824837 316970066 /nfs/dbraw/zinc/97/00/66/316970066.db2.gz FNYIZBGPWLOETD-ZDUSSCGKSA-N -1 0 341.363 3.102 20 30 EGEDRM Cc1cc(Cl)cc([N-]S(=O)(=O)c2ccc(C#N)s2)c1O ZINC000230366615 456137969 /nfs/dbraw/zinc/13/79/69/456137969.db2.gz YAFQXLWNYKZCRX-UHFFFAOYSA-N -1 0 328.802 3.088 20 30 EGEDRM CCc1cc(C#N)c([N-]S(=O)(=O)c2ccc(OC)c(C)c2)s1 ZINC000576441312 324614827 /nfs/dbraw/zinc/61/48/27/324614827.db2.gz VCWHYHKNGKXRBI-UHFFFAOYSA-N -1 0 336.438 3.300 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)N2CC(C3CCCCC3)C2)cc1C#N ZINC000578001828 324901267 /nfs/dbraw/zinc/90/12/67/324901267.db2.gz KUFZWBHOIOZZFO-UHFFFAOYSA-N -1 0 331.441 3.033 20 30 EGEDRM CC(C)Cn1ncc([N-]S(=O)(=O)c2cccc(C#N)c2)c1C1CC1 ZINC000581095641 325329333 /nfs/dbraw/zinc/32/93/33/325329333.db2.gz WZMSWTJELLBALJ-UHFFFAOYSA-N -1 0 344.440 3.089 20 30 EGEDRM Cc1ccc(C#N)cc1NC(=O)CC1(C(=O)[O-])Cc2ccccc2C1 ZINC000237794712 455219098 /nfs/dbraw/zinc/21/90/98/455219098.db2.gz QYOCSFHGLGFMSU-UHFFFAOYSA-N -1 0 334.375 3.065 20 30 EGEDRM C=C[C@H]1CCCCN1S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1C ZINC000447154785 458269033 /nfs/dbraw/zinc/26/90/33/458269033.db2.gz UURFYCPIARIBTQ-LBPRGKRZSA-N -1 0 343.832 3.076 20 30 EGEDRM Cc1sc([C@@H]2CCCN2c2ncc(C#N)cc2Cl)nc1C(=O)[O-] ZINC000600674527 460564968 /nfs/dbraw/zinc/56/49/68/460564968.db2.gz FESMASSQTRTCQJ-NSHDSACASA-N -1 0 348.815 3.411 20 30 EGEDRM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2C#N)c1 ZINC000181144476 455294798 /nfs/dbraw/zinc/29/47/98/455294798.db2.gz BMTPUYUDTWSCMP-UHFFFAOYSA-N -1 0 328.393 3.260 20 30 EGEDRM C=CCCS(=O)(=O)[N-]c1ccn(-c2cccc(C(F)(F)F)c2)n1 ZINC000181191632 455299999 /nfs/dbraw/zinc/29/99/99/455299999.db2.gz ZJCIXIGBYIKZPN-UHFFFAOYSA-N -1 0 345.346 3.209 20 30 EGEDRM CC(C)c1csc(C(C#N)=C([O-])c2cc(OC(F)F)n(C)n2)n1 ZINC000183729304 455324155 /nfs/dbraw/zinc/32/41/55/455324155.db2.gz FLQYNGPBAZRQIP-MRVPVSSYSA-N -1 0 340.355 3.091 20 30 EGEDRM C=CCCOCC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000620329140 460614030 /nfs/dbraw/zinc/61/40/30/460614030.db2.gz ZSFYYFWPHFITJA-UHFFFAOYSA-N -1 0 349.386 3.316 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)N2CCC[C@@H]2c2cccs2)cc1C#N ZINC000027610057 453819614 /nfs/dbraw/zinc/81/96/14/453819614.db2.gz JOLWQYNWPJWDKF-GFCCVEGCSA-N -1 0 345.449 3.420 20 30 EGEDRM Cc1cc(C(C#N)=C([O-])c2cc(-c3ccc(F)cc3)[nH]n2)nc(C)n1 ZINC000041559956 453971316 /nfs/dbraw/zinc/97/13/16/453971316.db2.gz BSQPMAOKBURGHJ-AWEZNQCLSA-N -1 0 335.342 3.113 20 30 EGEDRM Cc1ccc(C#N)cc1NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000084387382 453987262 /nfs/dbraw/zinc/98/72/62/453987262.db2.gz QGDIDTLURDIWQQ-UHFFFAOYSA-N -1 0 336.326 3.149 20 30 EGEDRM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1cnc2ccsc2c1 ZINC000084460813 453990589 /nfs/dbraw/zinc/99/05/89/453990589.db2.gz HBUMWAUSWLTYFN-UHFFFAOYSA-N -1 0 329.406 3.277 20 30 EGEDRM O=C([N-]S(=O)(=O)C1CCCC1)[C@H]1SCCc2ccccc21 ZINC000086056595 454041352 /nfs/dbraw/zinc/04/13/52/454041352.db2.gz NAKFOHWKHNHINN-AWEZNQCLSA-N -1 0 325.455 3.246 20 30 EGEDRM CCCc1ncc(C([O-])=C(C#N)c2nc(C(=O)OCC)cs2)s1 ZINC000076883865 454046263 /nfs/dbraw/zinc/04/62/63/454046263.db2.gz YTOWCYZBJJJETI-SECBINFHSA-N -1 0 349.437 3.219 20 30 EGEDRM CC(C)Oc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccccc1C#N ZINC000057122657 454103482 /nfs/dbraw/zinc/10/34/82/454103482.db2.gz JDNURSILMHQNTQ-UHFFFAOYSA-N -1 0 341.392 3.018 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)C=Cc2ccccc2[N+](=O)[O-])cc1 ZINC000046927413 454302803 /nfs/dbraw/zinc/30/28/03/454302803.db2.gz VDFLPYYWYNIDRU-DHZHZOJOSA-N -1 0 346.364 3.262 20 30 EGEDRM CCN(Cc1cccc(F)c1)C(=O)c1cc(C#N)c(SC)[n-]c1=O ZINC000079138382 454373449 /nfs/dbraw/zinc/37/34/49/454373449.db2.gz YPUDQKDIOOILGM-UHFFFAOYSA-N -1 0 345.399 3.182 20 30 EGEDRM O=C(CCCc1ccccc1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000048423383 454487854 /nfs/dbraw/zinc/48/78/54/454487854.db2.gz OLSXFCZWZPTBIT-UHFFFAOYSA-N -1 0 348.380 3.263 20 30 EGEDRM Cn1c2ccccc2nc1C(C#N)=C([O-])c1ccc(Br)o1 ZINC000122634154 454554795 /nfs/dbraw/zinc/55/47/95/454554795.db2.gz XKSSMNYEHVABDB-VIFPVBQESA-N -1 0 344.168 3.419 20 30 EGEDRM CC(C)c1csc(C(C#N)=C([O-])c2cccc(-n3cccn3)n2)n1 ZINC000080450714 454583299 /nfs/dbraw/zinc/58/32/99/454583299.db2.gz QUTHPQWFAMSTDS-LBPRGKRZSA-N -1 0 337.408 3.337 20 30 EGEDRM CCC[C@H](C)CS(=O)(=O)[N-]C(=O)C=Cc1ccnc(Cl)c1 ZINC000092700817 454612592 /nfs/dbraw/zinc/61/25/92/454612592.db2.gz ZWPNTRYMCNBNPS-QRGHLMKCSA-N -1 0 330.837 3.471 20 30 EGEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)n(CCC#N)n1 ZINC000066247960 454670909 /nfs/dbraw/zinc/67/09/09/454670909.db2.gz LLWSCGWEJJDNHV-UHFFFAOYSA-N -1 0 332.429 3.029 20 30 EGEDRM CCOCc1ccc([N-]S(=O)(=O)c2cccc(C)c2C#N)cc1 ZINC000137584521 454782885 /nfs/dbraw/zinc/78/28/85/454782885.db2.gz NDQHAQROMQWLPW-UHFFFAOYSA-N -1 0 330.409 3.204 20 30 EGEDRM CCNc1ccc(C#N)cc1NS(=O)(=O)c1cccc(CC)c1 ZINC000125274204 454809620 /nfs/dbraw/zinc/80/96/20/454809620.db2.gz CRKOBOMUEGKYAF-UHFFFAOYSA-N -1 0 329.425 3.353 20 30 EGEDRM CC(C)(C)c1csc([N-]S(=O)(=O)c2ccc(C#N)cc2F)n1 ZINC000125467985 454825090 /nfs/dbraw/zinc/82/50/90/454825090.db2.gz OOSBSPXGZITYAY-UHFFFAOYSA-N -1 0 339.417 3.252 20 30 EGEDRM COc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)cc1F ZINC000177995196 454925796 /nfs/dbraw/zinc/92/57/96/454925796.db2.gz RVVXXTHNLSHSRJ-UHFFFAOYSA-N -1 0 340.763 3.160 20 30 EGEDRM C=CCN(Cc1cccc(C#N)c1)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000126940757 454927810 /nfs/dbraw/zinc/92/78/10/454927810.db2.gz ZSWFLUHJWKBARG-UHFFFAOYSA-N -1 0 337.335 3.000 20 30 EGEDRM CCC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(C)c2C#N)cc1 ZINC000178599496 454964157 /nfs/dbraw/zinc/96/41/57/454964157.db2.gz OAZSVOLTYMCDDH-UHFFFAOYSA-N -1 0 343.408 3.016 20 30 EGEDRM CC(C)Oc1ccc([C@@H](O)C/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000115961581 455036265 /nfs/dbraw/zinc/03/62/65/455036265.db2.gz GFXIYRCHFIBKPA-JHBOHYQCSA-N -1 0 344.367 3.240 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2sc(-c3cnn(C)c3)nc2C)n1 ZINC000115901101 455036598 /nfs/dbraw/zinc/03/65/98/455036598.db2.gz VPPWZQMWFMNDJX-NSHDSACASA-N -1 0 343.437 3.107 20 30 EGEDRM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccn(CCC#N)n2)c(C)c1C ZINC000117740900 455092753 /nfs/dbraw/zinc/09/27/53/455092753.db2.gz ATUUXTZUODEUGG-UHFFFAOYSA-N -1 0 346.456 3.140 20 30 EGEDRM N#Cc1cc(Cl)ccc1S(=O)(=O)N[C@@H]1CCCc2occc21 ZINC000156362653 455109120 /nfs/dbraw/zinc/10/91/20/455109120.db2.gz XCINNLIVCRZEIK-CYBMUJFWSA-N -1 0 336.800 3.161 20 30 EGEDRM N#CC(=C([O-])c1cccnc1OCC(F)F)c1nc2ccccc2o1 ZINC000179988023 455111251 /nfs/dbraw/zinc/11/12/51/455111251.db2.gz LHIYKRFLBOSYPI-NSHDSACASA-N -1 0 343.289 3.357 20 30 EGEDRM Cc1ccc(C#N)cc1S(=O)(=O)Nc1cncc(Cl)c1Cl ZINC000180289371 455155048 /nfs/dbraw/zinc/15/50/48/455155048.db2.gz RKYRMYKIFXKUQK-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1ccc(F)cc1OC(F)F ZINC000172907410 455207805 /nfs/dbraw/zinc/20/78/05/455207805.db2.gz GYHNJBAYUKGXBA-UHFFFAOYSA-N -1 0 342.298 3.100 20 30 EGEDRM CSc1c(F)cc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1F ZINC000181753420 455379196 /nfs/dbraw/zinc/37/91/96/455379196.db2.gz ZPPKPCQRZHZXEW-UHFFFAOYSA-N -1 0 340.376 3.359 20 30 EGEDRM N#Cc1cccc(S(=O)(=O)[N-]c2cc(F)ccc2OC(F)F)c1 ZINC000161099839 455533075 /nfs/dbraw/zinc/53/30/75/455533075.db2.gz IKLPSGRCQOJINA-UHFFFAOYSA-N -1 0 342.298 3.100 20 30 EGEDRM N#CCc1ccccc1[N-]S(=O)(=O)c1c[nH]c2cccc(F)c21 ZINC000193359481 455753940 /nfs/dbraw/zinc/75/39/40/455753940.db2.gz FNDVHNPLNBPQTG-UHFFFAOYSA-N -1 0 329.356 3.174 20 30 EGEDRM CCn1ncc(C#N)c1[N-]S(=O)(=O)c1ccc(CCC(C)C)cc1 ZINC000187762611 455950254 /nfs/dbraw/zinc/95/02/54/455950254.db2.gz IRTBBCPLOXDYKV-UHFFFAOYSA-N -1 0 346.456 3.164 20 30 EGEDRM C=CCn1c(=O)c2ccc(C(=O)N(C)C(C)(C)CC)cc2[n-]c1=S ZINC000280779473 456051180 /nfs/dbraw/zinc/05/11/80/456051180.db2.gz JYOJPKOAIWHLCZ-UHFFFAOYSA-N -1 0 345.468 3.132 20 30 EGEDRM C=CCC[C@@H](NC(=O)[C@H](CC)Oc1ccccc1Cl)C(=O)[O-] ZINC000262858811 456063016 /nfs/dbraw/zinc/06/30/16/456063016.db2.gz INKVEXUPXWDKII-OLZOCXBDSA-N -1 0 325.792 3.033 20 30 EGEDRM C[S@@](=O)Cc1cc(NC(=O)c2ccc(C#N)c([O-])c2)ccc1Cl ZINC000188510556 456076756 /nfs/dbraw/zinc/07/67/56/456076756.db2.gz PGZNCQJZYUQVND-HSZRJFAPSA-N -1 0 348.811 3.048 20 30 EGEDRM CCc1noc(-c2ccc(C)c(NC(=O)c3ccc(C#N)c([O-])c3)c2)n1 ZINC000188761502 456128841 /nfs/dbraw/zinc/12/88/41/456128841.db2.gz RQLMMDLAYAYQEH-UHFFFAOYSA-N -1 0 348.362 3.437 20 30 EGEDRM Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000289894726 456172053 /nfs/dbraw/zinc/17/20/53/456172053.db2.gz SNRVGRZJWJQUSV-HXUWFJFHSA-N -1 0 349.434 3.476 20 30 EGEDRM Cc1nnc([C@@H](C)/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])s1 ZINC000273503249 456235102 /nfs/dbraw/zinc/23/51/02/456235102.db2.gz MNZLDZRBDWWGOG-DXOCJUPFSA-N -1 0 326.765 3.294 20 30 EGEDRM Cc1cc(C(C#N)=C([O-])c2cnc(-c3ccccn3)s2)nc(C)n1 ZINC000340183445 456297735 /nfs/dbraw/zinc/29/77/35/456297735.db2.gz CJIKAMDXRIUDHQ-GFCCVEGCSA-N -1 0 335.392 3.102 20 30 EGEDRM C=CCn1c(=O)c2ccc(C(=O)N(C)[C@H](C)CCC)cc2[n-]c1=S ZINC000298426415 456453591 /nfs/dbraw/zinc/45/35/91/456453591.db2.gz QGLXPEAMPOFKTI-GFCCVEGCSA-N -1 0 345.468 3.132 20 30 EGEDRM C=CCOc1ccccc1C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000327205908 456705172 /nfs/dbraw/zinc/70/51/72/456705172.db2.gz GIOQCJZYTBGADO-KRWDZBQOSA-N -1 0 337.375 3.076 20 30 EGEDRM C=CCOc1ccccc1C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000327205909 456705423 /nfs/dbraw/zinc/70/54/23/456705423.db2.gz GIOQCJZYTBGADO-QGZVFWFLSA-N -1 0 337.375 3.076 20 30 EGEDRM Cc1cn2c(ncc(/C([O-])=N/[C@@H]3CC[C@@H]4CCC[C@H]4C3)c2=O)s1 ZINC000329157804 456845721 /nfs/dbraw/zinc/84/57/21/456845721.db2.gz WMEDGNPFZCNION-RWMBFGLXSA-N -1 0 331.441 3.338 20 30 EGEDRM Cc1nc(=NC(=O)c2ccccc2Oc2ccccc2C#N)s[n-]1 ZINC000349211921 456913903 /nfs/dbraw/zinc/91/39/03/456913903.db2.gz JCCQBMLHPZCFOV-UHFFFAOYSA-N -1 0 336.376 3.185 20 30 EGEDRM Cc1cccc2c1OCC[C@H]2NC(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000329994666 456971820 /nfs/dbraw/zinc/97/18/20/456971820.db2.gz MKRXUAJGMNXDBV-GFCCVEGCSA-N -1 0 346.456 3.416 20 30 EGEDRM O=C(N=c1[n-]nc(C(F)F)s1)NC[C@H]1CCC2(CCCCC2)O1 ZINC000330121054 456988283 /nfs/dbraw/zinc/98/82/83/456988283.db2.gz JJJKFBACYWUPDT-SECBINFHSA-N -1 0 346.403 3.105 20 30 EGEDRM C=CCN(CCc1ccccc1)C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000345768087 456992524 /nfs/dbraw/zinc/99/25/24/456992524.db2.gz AFWMIPNDDUCFSR-UHFFFAOYSA-N -1 0 339.391 3.021 20 30 EGEDRM C[C@H](CNC(=O)c1c([O-])cc(Cl)cc1Cl)N1CCCCC1=O ZINC000331252481 457155133 /nfs/dbraw/zinc/15/51/33/457155133.db2.gz YWMDCXJOAFWBCG-SECBINFHSA-N -1 0 345.226 3.405 20 30 EGEDRM Cc1ccc(Cc2nc(C([O-])=C(C#N)c3ccncn3)cs2)cc1 ZINC000354460121 457238373 /nfs/dbraw/zinc/23/83/73/457238373.db2.gz DTPJXFRXUAZIPU-AWEZNQCLSA-N -1 0 334.404 3.322 20 30 EGEDRM Cc1nc(Cc2ccccc2)sc1C([O-])=C(C#N)c1ccncn1 ZINC000354463510 457240028 /nfs/dbraw/zinc/24/00/28/457240028.db2.gz ICNXGRRBPAWKDL-CQSZACIVSA-N -1 0 334.404 3.322 20 30 EGEDRM CC(C)CCOc1cccc([N-]S(=O)(=O)c2cncc(C#N)c2)c1 ZINC000357100317 457322199 /nfs/dbraw/zinc/32/21/99/457322199.db2.gz AYXORWDQTDMLGS-UHFFFAOYSA-N -1 0 345.424 3.179 20 30 EGEDRM Cc1[n-][nH]c(=NC(=O)C2(c3cccc(C(F)(F)F)c3)CCC2)c1C#N ZINC000357176981 457359428 /nfs/dbraw/zinc/35/94/28/457359428.db2.gz MDLJXEKEHWTAED-UHFFFAOYSA-N -1 0 348.328 3.091 20 30 EGEDRM CCOC(=O)c1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)cc1 ZINC000355403377 457370579 /nfs/dbraw/zinc/37/05/79/457370579.db2.gz IYBPKAHGZBDSIV-HNNXBMFYSA-N -1 0 345.358 3.297 20 30 EGEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)Cc1cccc(C(=O)[O-])c1 ZINC000347379656 457389307 /nfs/dbraw/zinc/38/93/07/457389307.db2.gz UMDNCRMGGBVIII-UHFFFAOYSA-N -1 0 339.391 3.151 20 30 EGEDRM COc1cc(/C=C\c2nc(C(=O)[O-])ccc2C#N)ccc1OC(F)F ZINC000356231699 457548980 /nfs/dbraw/zinc/54/89/80/457548980.db2.gz XMTHJFZREBRWJE-DJWKRKHSSA-N -1 0 346.289 3.432 20 30 EGEDRM COc1ccc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)c(Cl)c1 ZINC000361130886 457601037 /nfs/dbraw/zinc/60/10/37/457601037.db2.gz HNWFHRGALDTVCA-UHFFFAOYSA-N -1 0 336.800 3.215 20 30 EGEDRM CC(C)Cc1n[n-]c(=NC(=O)N(C)[C@H](C)c2cccc(C#N)c2)s1 ZINC000425621746 457614787 /nfs/dbraw/zinc/61/47/87/457614787.db2.gz LZQDDQUNEVYBOA-GFCCVEGCSA-N -1 0 343.456 3.255 20 30 EGEDRM COc1cc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)nn1C ZINC000358002692 457736917 /nfs/dbraw/zinc/73/69/17/457736917.db2.gz UHPUVLJUYXTDMS-GFCCVEGCSA-N -1 0 338.392 3.042 20 30 EGEDRM C=CCCc1ccccc1NS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000443421026 457763368 /nfs/dbraw/zinc/76/33/68/457763368.db2.gz VWTQMYGFXRNQNK-UHFFFAOYSA-N -1 0 345.420 3.233 20 30 EGEDRM CC(C)(C)c1cc(C#N)c(NC(=O)c2ccc(C(N)=O)s2)s1 ZINC000411009207 457778763 /nfs/dbraw/zinc/77/87/63/457778763.db2.gz WNYZXXMAXQXGGZ-UHFFFAOYSA-N -1 0 333.438 3.330 20 30 EGEDRM Cn1cnc2cc(C([O-])=C(C#N)c3cnc4ccccc4n3)ccc21 ZINC000361974427 457987063 /nfs/dbraw/zinc/98/70/63/457987063.db2.gz QOSMGMMWGATCRQ-ZDUSSCGKSA-N -1 0 327.347 3.007 20 30 EGEDRM N#CC(=C([O-])c1c[nH]nc1-c1ccoc1)c1cnc2ccccc2n1 ZINC000434649067 458028945 /nfs/dbraw/zinc/02/89/45/458028945.db2.gz STWKIDIVECWTOZ-LBPRGKRZSA-N -1 0 329.319 3.103 20 30 EGEDRM CC(C)Oc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435481679 458153381 /nfs/dbraw/zinc/15/33/81/458153381.db2.gz LNJZOBCIGOKKQW-UHFFFAOYSA-N -1 0 347.421 3.079 20 30 EGEDRM CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000435756876 458197905 /nfs/dbraw/zinc/19/79/05/458197905.db2.gz VUTVVDJMWFFGOQ-UHFFFAOYSA-N -1 0 334.372 3.205 20 30 EGEDRM CCSc1ccc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)cn1 ZINC000429578040 458349179 /nfs/dbraw/zinc/34/91/79/458349179.db2.gz HUSRXCUNKZQLQR-LBPRGKRZSA-N -1 0 337.408 3.263 20 30 EGEDRM CCOc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)[C@H](C#N)CC ZINC000416935535 458357496 /nfs/dbraw/zinc/35/74/96/458357496.db2.gz GOYPWECIAOXHHI-JTQLQIEISA-N -1 0 336.335 3.148 20 30 EGEDRM Cc1cc(C)cc(-c2n[n-]c(=NC(=O)NCC3(C#N)CCC3)s2)c1 ZINC000417007078 458359057 /nfs/dbraw/zinc/35/90/57/458359057.db2.gz KOOWGPCPVUOBOI-UHFFFAOYSA-N -1 0 341.440 3.059 20 30 EGEDRM CC(C)(CC#N)CNC(=O)N=c1nc(-c2ccccc2Cl)[n-]s1 ZINC000459495505 458391025 /nfs/dbraw/zinc/39/10/25/458391025.db2.gz UXTDJMRSLGABSQ-UHFFFAOYSA-N -1 0 349.847 3.342 20 30 EGEDRM C=CCC[C@@H](NC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)C(=O)[O-] ZINC000448997050 458418740 /nfs/dbraw/zinc/41/87/40/458418740.db2.gz UEXOBVVCHXWCAE-QGZVFWFLSA-N -1 0 326.396 3.196 20 30 EGEDRM CC(=O)c1cc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)n(C)c1 ZINC000430588731 458468399 /nfs/dbraw/zinc/46/83/99/458468399.db2.gz AKUPIVKDXUPRQM-GFCCVEGCSA-N -1 0 329.425 3.472 20 30 EGEDRM Cc1ccc([N+](=O)[O-])c(C([O-])=C(C#N)c2nc3ccccc3n2C)c1 ZINC000442609867 459017375 /nfs/dbraw/zinc/01/73/75/459017375.db2.gz ZZCBGSAXQTZMCY-CYBMUJFWSA-N -1 0 334.335 3.280 20 30 EGEDRM COC(=O)c1cc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)c[nH]1 ZINC000590321625 459114538 /nfs/dbraw/zinc/11/45/38/459114538.db2.gz ZKTUBLZZIAUNQO-JTQLQIEISA-N -1 0 343.339 3.040 20 30 EGEDRM C[C@](CC(=O)[O-])(C(=O)NCCc1ccc(C#N)cc1)C1CCCCC1 ZINC000594661980 459123911 /nfs/dbraw/zinc/12/39/11/459123911.db2.gz ULUQHFADNVGYIJ-HXUWFJFHSA-N -1 0 342.439 3.278 20 30 EGEDRM CCCn1ncc([N-]S(=O)(=O)c2cccc(CC#N)c2)c1C1CC1 ZINC000590744821 459202702 /nfs/dbraw/zinc/20/27/02/459202702.db2.gz FHIKWRFDSGAXFE-UHFFFAOYSA-N -1 0 344.440 3.037 20 30 EGEDRM COC(=O)c1cc(Cl)cc(NC(=O)[C@@]2(C#N)CC23CCCC3)c1O ZINC000590763663 459207758 /nfs/dbraw/zinc/20/77/58/459207758.db2.gz ZFQRCUUDGLHQGI-KRWDZBQOSA-N -1 0 348.786 3.245 20 30 EGEDRM C=C(C)Cn1c(-c2ccccc2F)n[n-]c1=Nc1c(C)nn(C)c1C ZINC000581375519 459271970 /nfs/dbraw/zinc/27/19/70/459271970.db2.gz KHGOWDHLDDFXJY-UHFFFAOYSA-N -1 0 340.406 3.176 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2ccc(OCC(F)(F)F)cn2)n1 ZINC000568830440 459351079 /nfs/dbraw/zinc/35/10/79/459351079.db2.gz TWKPWUCHVAYVML-JTQLQIEISA-N -1 0 341.314 3.278 20 30 EGEDRM Cc1nnc(N2CCC(c3ccccc3C(=O)[O-])CC2)c(C#N)c1C ZINC000591327225 459355591 /nfs/dbraw/zinc/35/55/91/459355591.db2.gz XLUFMIXDQBYIEJ-UHFFFAOYSA-N -1 0 336.395 3.047 20 30 EGEDRM CCc1c([O-])nc(SCC2(C#N)CC2)n(-c2ccccc2C)c1=O ZINC000540856049 459393975 /nfs/dbraw/zinc/39/39/75/459393975.db2.gz PGIITWKKYRSRIU-UHFFFAOYSA-N -1 0 341.436 3.205 20 30 EGEDRM N#Cc1cc(C(=O)N=c2nc(-c3ccccc3)[n-]s2)ccc1Cl ZINC000540887128 459396457 /nfs/dbraw/zinc/39/64/57/459396457.db2.gz XJPQIUAIVSGLDS-UHFFFAOYSA-N -1 0 340.795 3.404 20 30 EGEDRM CC(C)(CNS(=O)(=O)c1ccc(C#N)o1)c1cccc(Cl)c1 ZINC000561506519 459459097 /nfs/dbraw/zinc/45/90/97/459459097.db2.gz ZKJZKLREHVXNBS-UHFFFAOYSA-N -1 0 338.816 3.061 20 30 EGEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)NCC1(C(=O)[O-])CC1 ZINC000596059128 459504603 /nfs/dbraw/zinc/50/46/03/459504603.db2.gz MWZZBCCFTWNPDO-LLVKDONJSA-N -1 0 333.413 3.067 20 30 EGEDRM C=CCn1cccc1C(=O)N=c1[n-]nc(-c2ccc(C)cc2C)s1 ZINC000489046276 459560148 /nfs/dbraw/zinc/56/01/48/459560148.db2.gz HCZRHNJJFDPUTJ-UHFFFAOYSA-N -1 0 338.436 3.484 20 30 EGEDRM CC(C)(C)c1nc(=NCc2nc(-c3cccc(C#N)c3)c[nH]2)s[n-]1 ZINC000489928592 459573070 /nfs/dbraw/zinc/57/30/70/459573070.db2.gz VBOYBRXXTAUWJJ-UHFFFAOYSA-N -1 0 338.440 3.131 20 30 EGEDRM C=CCC[C@H](NC(=O)N[C@@H](C)c1ccc(OC(C)C)cc1)C(=O)[O-] ZINC000572362726 459578862 /nfs/dbraw/zinc/57/88/62/459578862.db2.gz FPBHLRRVXBKRLG-BBRMVZONSA-N -1 0 334.416 3.253 20 30 EGEDRM CC1(C)Cc2cccc([N-]S(=O)(=O)c3ccccc3CC#N)c2O1 ZINC000527247283 459616458 /nfs/dbraw/zinc/61/64/58/459616458.db2.gz DOQOXWGXQBABGT-UHFFFAOYSA-N -1 0 342.420 3.267 20 30 EGEDRM CC(C)Cn1nccc1C(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cn1 ZINC000563119315 459717962 /nfs/dbraw/zinc/71/79/62/459717962.db2.gz QDAYXWMWQVLGBF-LBPRGKRZSA-N -1 0 336.317 3.443 20 30 EGEDRM CC(C)(C)c1noc(-c2ccccc2C([O-])=C(C#N)c2ccncn2)n1 ZINC000545445503 459832756 /nfs/dbraw/zinc/83/27/56/459832756.db2.gz GBNAEWPCZRHLFQ-CQSZACIVSA-N -1 0 347.378 3.314 20 30 EGEDRM CC[C@H](c1n[n-]c(=NC(=O)c2ccc(C#N)cn2)s1)c1ccccc1 ZINC000609343567 459948619 /nfs/dbraw/zinc/94/86/19/459948619.db2.gz WNMXZKYLPZHKDY-AWEZNQCLSA-N -1 0 349.419 3.021 20 30 EGEDRM Cc1cc(C#N)cc(NC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1 ZINC000593958386 460027479 /nfs/dbraw/zinc/02/74/79/460027479.db2.gz VHEOVBKZKOAIDC-BYCMXARLSA-N -1 0 329.400 3.124 20 30 EGEDRM Cc1ccc2cccc([N-]S(=O)(=O)c3ccc(C#N)cc3F)c2n1 ZINC000610058728 460056520 /nfs/dbraw/zinc/05/65/20/460056520.db2.gz WSIIFLMCIYPWNN-UHFFFAOYSA-N -1 0 341.367 3.355 20 30 EGEDRM Cn1ncc(C([O-])=C(C#N)c2ccc3ccccc3n2)c1C(F)F ZINC000589829993 460142314 /nfs/dbraw/zinc/14/23/14/460142314.db2.gz CBCMEIKNMHJSSW-NSHDSACASA-N -1 0 326.306 3.396 20 30 EGEDRM Cn1ncc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)c1C(F)F ZINC000589830008 460142489 /nfs/dbraw/zinc/14/24/89/460142489.db2.gz CQONMUZDMJUSQR-QMMMGPOBSA-N -1 0 344.243 3.262 20 30 EGEDRM CC(C)Cc1nc(=NC(=O)c2ccc(C(C)(C)C#N)cc2)s[n-]1 ZINC000598192037 460198753 /nfs/dbraw/zinc/19/87/53/460198753.db2.gz SSPTXRBIUMACJL-UHFFFAOYSA-N -1 0 328.441 3.212 20 30 EGEDRM N#Cc1c[n-][nH]c1=NC(=O)[C@H](Sc1ccccc1)c1ccccc1 ZINC000610620260 460200117 /nfs/dbraw/zinc/20/01/17/460200117.db2.gz KTXJMWXPPGFSTG-MRXNPFEDSA-N -1 0 334.404 3.175 20 30 EGEDRM C=CCN=c1[n-]nc(SCc2ccn(-c3cccc(F)c3)n2)s1 ZINC000623173911 460428601 /nfs/dbraw/zinc/42/86/01/460428601.db2.gz YZVMDMLDENZHAP-UHFFFAOYSA-N -1 0 347.444 3.175 20 30 EGEDRM C=C(C)C[C@H](NC(=O)c1ccc(OCCC(C)C)c(OC)c1)C(=O)[O-] ZINC000630318995 461093946 /nfs/dbraw/zinc/09/39/46/461093946.db2.gz PRTYWRIRTUSIGS-HNNXBMFYSA-N -1 0 349.427 3.269 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)c1csc(Cc2ccc(C)cc2)n1)C(=O)[O-] ZINC000630319429 461094503 /nfs/dbraw/zinc/09/45/03/461094503.db2.gz AJNJOHFWQIFVMW-CQSZACIVSA-N -1 0 344.436 3.192 20 30 EGEDRM C=C(C)[C@H](NC(=O)NC[C@@H](C(=O)[O-])C(C)C)c1ccc(F)c(F)c1 ZINC000655874934 461516145 /nfs/dbraw/zinc/51/61/45/461516145.db2.gz BSQRCWSVELPEJN-DOMZBBRYSA-N -1 0 340.370 3.238 20 30 EGEDRM CN(C)c1cc(C#N)cc(C([O-])=C(C#N)c2nc(C3CC3)cs2)c1 ZINC000647380154 461669596 /nfs/dbraw/zinc/66/95/96/461669596.db2.gz PCXYPAUQHNRZQK-OAHLLOKOSA-N -1 0 336.420 3.448 20 30 EGEDRM Cc1ccccc1-n1cc(C([O-])=C(C#N)c2nc(C3CC3)cs2)nn1 ZINC000647380205 461670585 /nfs/dbraw/zinc/67/05/85/461670585.db2.gz UMBWNBZKLZIEQY-ZDUSSCGKSA-N -1 0 349.419 3.400 20 30 EGEDRM C=CCC[C@@H](NC(=O)NCc1ccccc1OC1CCCC1)C(=O)[O-] ZINC000654795175 462384964 /nfs/dbraw/zinc/38/49/64/462384964.db2.gz RKBSAOPFITUQTJ-MRXNPFEDSA-N -1 0 346.427 3.227 20 30 EGEDRM N#CC(=C([O-])c1nnc2ccccc2n1)c1nccc2ccccc21 ZINC000355402155 547715629 /nfs/dbraw/zinc/71/56/29/547715629.db2.gz AFIIACARRCQVMC-AWEZNQCLSA-N -1 0 325.331 3.063 20 30 EGEDRM Cc1ccc(N(CCC#N)C(=O)[C@H](C)S[C@H](C)CC(=O)[O-])cc1 ZINC000738281231 574561227 /nfs/dbraw/zinc/56/12/27/574561227.db2.gz XARGQXUKNBVODY-KGLIPLIRSA-N -1 0 334.441 3.227 20 30 EGEDRM O=C([O-])COc1ccc(CN=Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000727650456 574681235 /nfs/dbraw/zinc/68/12/35/574681235.db2.gz XUKZKZORCXMCRU-UHFFFAOYSA-N -1 0 349.730 3.158 20 30 EGEDRM CSc1ccc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000738199625 574929453 /nfs/dbraw/zinc/92/94/53/574929453.db2.gz OWTCHWVSQLJYAT-HNNXBMFYSA-N -1 0 327.361 3.263 20 30 EGEDRM COc1cc(C#N)ccc1OCCOc1cc(C)sc1C(=O)[O-] ZINC000737843924 574983051 /nfs/dbraw/zinc/98/30/51/574983051.db2.gz BEDURTRXGJFYQJ-UHFFFAOYSA-N -1 0 333.365 3.093 20 30 EGEDRM O=C([O-])C(F)(F)Oc1ccc(C=NNc2nc3ccccc3[nH]2)cc1 ZINC000730727313 575013433 /nfs/dbraw/zinc/01/34/33/575013433.db2.gz QWEBVMAHFYMJLK-UHFFFAOYSA-N -1 0 346.293 3.065 20 30 EGEDRM C#CCOc1cccc(NC(=O)C[C@](C)(C(=O)[O-])c2ccccc2)c1 ZINC000731040448 575046059 /nfs/dbraw/zinc/04/60/59/575046059.db2.gz SWKWXBAJLNMZPS-FQEVSTJZSA-N -1 0 337.375 3.070 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc2[nH]c(C(F)F)nc2c1 ZINC000732494724 575272341 /nfs/dbraw/zinc/27/23/41/575272341.db2.gz KYZFPDZNXAQALV-LLVKDONJSA-N -1 0 348.353 3.129 20 30 EGEDRM O=C([O-])COc1cccc(C=NNc2ccc(Br)cc2)c1 ZINC000733203456 575319716 /nfs/dbraw/zinc/31/97/16/575319716.db2.gz KSSDKUDNFDCYAZ-UHFFFAOYSA-N -1 0 349.184 3.359 20 30 EGEDRM C=CCCCOC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000735535258 575676059 /nfs/dbraw/zinc/67/60/59/575676059.db2.gz DOIFCBSNOHBBSA-UHFFFAOYSA-N -1 0 336.185 3.414 20 30 EGEDRM C#CCOc1ccc(C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)cc1 ZINC000736088839 575898177 /nfs/dbraw/zinc/89/81/77/575898177.db2.gz FELNAMMVDGQNAG-UHFFFAOYSA-N -1 0 328.299 3.180 20 30 EGEDRM C=CCNc1nnc(SCc2ccc(F)cc2C(=O)[O-])s1 ZINC000736109304 575899120 /nfs/dbraw/zinc/89/91/20/575899120.db2.gz GOPDBONRRVGBBD-UHFFFAOYSA-N -1 0 325.390 3.266 20 30 EGEDRM C=CCn1c(S[C@H](CCCC)C(=O)[O-])nnc1-c1cccnc1 ZINC000736117425 575901429 /nfs/dbraw/zinc/90/14/29/575901429.db2.gz JHUJQRNNOULAFR-CYBMUJFWSA-N -1 0 332.429 3.262 20 30 EGEDRM O=C1Nc2c(cccc2F)C1=N[N-]c1nc(C(F)(F)F)cs1 ZINC000755903575 575943959 /nfs/dbraw/zinc/94/39/59/575943959.db2.gz HWWCDGPQRGXEID-UHFFFAOYSA-N -1 0 330.266 3.069 20 30 EGEDRM C[C@@H](Cc1cccc(F)c1)C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736626140 575995308 /nfs/dbraw/zinc/99/53/08/575995308.db2.gz KHGQEHLMQFBJBN-SJCJKPOMSA-N -1 0 341.338 3.245 20 30 EGEDRM C[C@H](Cc1ccccc1F)C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736628521 575995668 /nfs/dbraw/zinc/99/56/68/575995668.db2.gz YUTCWPWJZJGHQE-PXAZEXFGSA-N -1 0 341.338 3.245 20 30 EGEDRM C[C@@H](SCc1noc(CCCC(=O)[O-])n1)c1ccc(C#N)cc1 ZINC000736712863 576011530 /nfs/dbraw/zinc/01/15/30/576011530.db2.gz PLGDWLKMLDOHQB-LLVKDONJSA-N -1 0 331.397 3.343 20 30 EGEDRM CCCN(CC(=O)[O-])C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000737012721 576079373 /nfs/dbraw/zinc/07/93/73/576079373.db2.gz RGTCPHHZJJMNFZ-UHFFFAOYSA-N -1 0 337.379 3.239 20 30 EGEDRM CCN(C(=O)[C@@H](C)Oc1ccccc1C#N)c1ccccc1C(=O)[O-] ZINC000737050792 576091052 /nfs/dbraw/zinc/09/10/52/576091052.db2.gz NPHYLVNHUOGEFG-CYBMUJFWSA-N -1 0 338.363 3.077 20 30 EGEDRM CN(Cc1ccc(Nc2c(C#N)nnc3ccccc32)cc1)C(=O)[O-] ZINC000737485786 576237007 /nfs/dbraw/zinc/23/70/07/576237007.db2.gz FVZNHNIIUWANEM-UHFFFAOYSA-N -1 0 333.351 3.355 20 30 EGEDRM C#Cc1ccc(C(=O)Nc2sc3c(c2C(=O)[O-])CC[C@H](C)C3)cn1 ZINC000737495793 576237827 /nfs/dbraw/zinc/23/78/27/576237827.db2.gz JZAPYKRVPKIFOY-JTQLQIEISA-N -1 0 340.404 3.200 20 30 EGEDRM N#CCc1ccc(Oc2ccc(C(=O)NCCCC(=O)[O-])cc2)cc1 ZINC000738424906 576323949 /nfs/dbraw/zinc/32/39/49/576323949.db2.gz GSGXOZBWYCSTTG-UHFFFAOYSA-N -1 0 338.363 3.140 20 30 EGEDRM Cc1cc2ccccc2n1CC(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000738479472 576329912 /nfs/dbraw/zinc/32/99/12/576329912.db2.gz QYSWRRZVGUCDHQ-IBGZPJMESA-N -1 0 348.358 3.191 20 30 EGEDRM Cc1ccc(C(=O)[O-])cc1NC(=O)N(CCC#N)Cc1ccco1 ZINC000738534191 576335512 /nfs/dbraw/zinc/33/55/12/576335512.db2.gz WVPSXSODGPRDAM-UHFFFAOYSA-N -1 0 327.340 3.234 20 30 EGEDRM Cc1ccc([C@@H](CNc2c(C#N)nnc3ccccc32)C(=O)[O-])cc1 ZINC000738567387 576337591 /nfs/dbraw/zinc/33/75/91/576337591.db2.gz DTLABXOOPJLLMP-OAHLLOKOSA-N -1 0 332.363 3.090 20 30 EGEDRM N#CCn1c(C(=O)Oc2cccc(CC(=O)[O-])c2)cc2ccccc21 ZINC000739093360 576377556 /nfs/dbraw/zinc/37/75/56/576377556.db2.gz QJLULTJEIPPXRG-UHFFFAOYSA-N -1 0 334.331 3.011 20 30 EGEDRM N#CCn1c(C(=O)Nc2ccsc2C(=O)[O-])cc2ccccc21 ZINC000739092560 576377575 /nfs/dbraw/zinc/37/75/75/576377575.db2.gz GGUGZDLINMXBKF-UHFFFAOYSA-N -1 0 325.349 3.177 20 30 EGEDRM N#Cc1ccc([C@@H](Nc2cccc(N3CCCCC3=O)c2)C(=O)[O-])cc1 ZINC000739109607 576378435 /nfs/dbraw/zinc/37/84/35/576378435.db2.gz MFQQTXHGQXTFPE-LJQANCHMSA-N -1 0 349.390 3.313 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)c2cc3c(s2)CCCC3)C(=O)[O-])cc1 ZINC000739115145 576378687 /nfs/dbraw/zinc/37/86/87/576378687.db2.gz NYGNRRJJRSQBEF-INIZCTEOSA-N -1 0 341.388 3.481 20 30 EGEDRM N#Cc1ccccc1CN[C@H](C(=O)[O-])c1ccc(Br)cc1 ZINC000739147257 576379712 /nfs/dbraw/zinc/37/97/12/576379712.db2.gz RDBFMXMRANMJPR-HNNXBMFYSA-N -1 0 345.196 3.236 20 30 EGEDRM O=C([O-])COc1ccccc1CN=Nc1cccc(C(F)(F)F)n1 ZINC000739422701 576410134 /nfs/dbraw/zinc/41/01/34/576410134.db2.gz XGBPSWJFDUQHJR-UHFFFAOYSA-N -1 0 339.273 3.010 20 30 EGEDRM O=C([O-])[C@@H]1CCCN(C(=O)Nc2cccc(C#Cc3ccccc3)c2)C1 ZINC000739578839 576431497 /nfs/dbraw/zinc/43/14/97/576431497.db2.gz JCYDBTXUDZPBBV-GOSISDBHSA-N -1 0 348.402 3.415 20 30 EGEDRM O=C([O-])CCc1nc(CON=C2c3ccccc3-c3ccccc32)no1 ZINC000739773683 576504507 /nfs/dbraw/zinc/50/45/07/576504507.db2.gz FNTSKBYZXVWVBZ-UHFFFAOYSA-N -1 0 349.346 3.036 20 30 EGEDRM O=C([O-])CN1C/C(=C/c2cccs2)C(=O)/C(=C\c2cccs2)C1 ZINC000739799499 576506655 /nfs/dbraw/zinc/50/66/55/576506655.db2.gz RKQFMZSENHSRRR-AJDRMPRJSA-N -1 0 345.445 3.246 20 30 EGEDRM O=C([O-])COc1ccc(C(=O)/C=C\c2cc(F)c(F)c(F)c2)cc1 ZINC000739819573 576507445 /nfs/dbraw/zinc/50/74/45/576507445.db2.gz SZFGTNMGDCTJQJ-BHQIHCQQSA-N -1 0 336.265 3.463 20 30 EGEDRM COC(=O)[C@H](C/N=C/c1cc(Br)ccc1O)CC(C)C ZINC000741464068 576688307 /nfs/dbraw/zinc/68/83/07/576688307.db2.gz KMAYHDPXRDHSRF-OPFCKLNOSA-N -1 0 342.233 3.409 20 30 EGEDRM COc1cc(/C=C/C(=O)c2ccc3c(c2)COC3)cc([N+](=O)[O-])c1[O-] ZINC000742438053 576784305 /nfs/dbraw/zinc/78/43/05/576784305.db2.gz ZFZVTOUIMWKWRU-GORDUTHDSA-N -1 0 341.319 3.235 20 30 EGEDRM C[C@H](Oc1cccc(/C=C/C(=O)c2ccc3c(c2)COC3)c1)C(=O)[O-] ZINC000742437762 576784353 /nfs/dbraw/zinc/78/43/53/576784353.db2.gz XEYJFJFHTCNSPH-LJLILKBBSA-N -1 0 338.359 3.465 20 30 EGEDRM CCc1ccc(NC(=O)C(C#N)=C([O-])c2scnc2Cl)cc1 ZINC000744936142 576837287 /nfs/dbraw/zinc/83/72/87/576837287.db2.gz MCBJYSIBGBKETM-NSHDSACASA-N -1 0 333.800 3.320 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)OCc1csc(C2CCCCC2)n1 ZINC000819874514 597625575 /nfs/dbraw/zinc/62/55/75/597625575.db2.gz LSIFUNQPXNXMTR-MRXNPFEDSA-N -1 0 336.413 3.239 20 30 EGEDRM N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H]2C(=O)[O-])cc1 ZINC000821319958 598206123 /nfs/dbraw/zinc/20/61/23/598206123.db2.gz CSTRHXSBAFTTGO-ZWKOTPCHSA-N -1 0 349.390 3.423 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1cccc(C2SCCS2)c1 ZINC000819857413 598222567 /nfs/dbraw/zinc/22/25/67/598222567.db2.gz XDSFYHMHWGOQCZ-HNNXBMFYSA-N -1 0 336.438 3.108 20 30 EGEDRM CC(C)(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])Cc1cccc(Cl)c1 ZINC000819948188 598229979 /nfs/dbraw/zinc/22/99/79/598229979.db2.gz GLVREMWEZSJSMV-QGZVFWFLSA-N -1 0 336.819 3.029 20 30 EGEDRM C[C@H](C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1cccc(F)c1 ZINC000826061387 600705929 /nfs/dbraw/zinc/70/59/29/600705929.db2.gz PQDBUGODDBSBHI-ZBEGNZNMSA-N -1 0 327.311 3.170 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)c2cnc3ccsc3c2)C(=O)[O-])cc1 ZINC000833071376 600708769 /nfs/dbraw/zinc/70/87/69/600708769.db2.gz FHWLIVZORKDJRE-HNNXBMFYSA-N -1 0 338.344 3.151 20 30 EGEDRM N#Cc1ccccc1SCC(=O)NCc1ccc(NC(=O)[O-])cc1 ZINC000833076769 600729737 /nfs/dbraw/zinc/72/97/37/600729737.db2.gz PATQIMPMJJXMDN-UHFFFAOYSA-N -1 0 341.392 3.057 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)CC[C@H]1CC[C@H](C)O1 ZINC000825702522 600966877 /nfs/dbraw/zinc/96/68/77/600966877.db2.gz PIGMCQVEDQRTCT-SWLSCSKDSA-N -1 0 348.395 3.375 20 30 EGEDRM CSc1ccc2cc(CN(CC#N)CC(=O)[O-])c(Cl)nc2c1 ZINC000832784953 601004294 /nfs/dbraw/zinc/00/42/94/601004294.db2.gz ANYZTVXSWDYDGU-UHFFFAOYSA-N -1 0 335.816 3.020 20 30 EGEDRM C=C(Br)CNC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000161486201 601091120 /nfs/dbraw/zinc/09/11/20/601091120.db2.gz CWVQUHHHIVMDHI-UHFFFAOYSA-N -1 0 341.205 3.079 20 30 EGEDRM CCN(CCC#N)C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000829692357 601128752 /nfs/dbraw/zinc/12/87/52/601128752.db2.gz HQSNXEYISHQASE-UHFFFAOYSA-N -1 0 335.429 3.162 20 30 EGEDRM CSc1ccccc1C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832790555 601345051 /nfs/dbraw/zinc/34/50/51/601345051.db2.gz LRXPYCNWJLOMOM-OAHLLOKOSA-N -1 0 327.361 3.263 20 30 EGEDRM CCc1sc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1C ZINC000830403433 601346748 /nfs/dbraw/zinc/34/67/48/601346748.db2.gz QVFQDCANNUCYBN-OAHLLOKOSA-N -1 0 329.377 3.473 20 30 EGEDRM N#Cc1c[nH]c(C(=O)OCc2c(C(=O)[O-])sc3cccc(F)c32)c1 ZINC000833068511 601430990 /nfs/dbraw/zinc/43/09/90/601430990.db2.gz ZNFQATJFNBQCAR-UHFFFAOYSA-N -1 0 344.323 3.295 20 30 EGEDRM O=C([O-])c1ccc(/C=C2/COc3ccc(Br)cc3C2=O)[nH]1 ZINC000833312580 601446012 /nfs/dbraw/zinc/44/60/12/601446012.db2.gz RHQUIHXZOIHKCD-YVMONPNESA-N -1 0 348.152 3.134 20 30 EGEDRM Cc1ccc(C#N)cc1NC(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000832910630 601622736 /nfs/dbraw/zinc/62/27/36/601622736.db2.gz WZNPAKJQXSATBI-CXAGYDPISA-N -1 0 337.379 3.450 20 30 EGEDRM C[C@H](CNC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)C(=O)[O-] ZINC000827493560 601624441 /nfs/dbraw/zinc/62/44/41/601624441.db2.gz VZNSKQUWCMDLIV-GFCCVEGCSA-N -1 0 339.351 3.193 20 30 EGEDRM C[C@H](C(=O)[O-])[C@@H](NC(=O)Nc1ccc(F)cc1C#N)c1ccccc1 ZINC000826037987 601628165 /nfs/dbraw/zinc/62/81/65/601628165.db2.gz CXIMZKKNHNNKCI-MEDUHNTESA-N -1 0 341.342 3.281 20 30 EGEDRM CON=Cc1ccc(C(=O)OCc2cc(C(=O)[O-])sc2C)cc1 ZINC000831841934 601702736 /nfs/dbraw/zinc/70/27/36/601702736.db2.gz WLXXTIQICYFOED-UHFFFAOYSA-N -1 0 333.365 3.092 20 30 EGEDRM O=C([O-])c1cc(CN=Nc2nc(C(F)(F)F)nc3ccccc32)c[nH]1 ZINC000814770162 601796825 /nfs/dbraw/zinc/79/68/25/601796825.db2.gz SGWYQWRDBBIDRM-UHFFFAOYSA-N -1 0 349.272 3.121 20 30 EGEDRM Cc1cc(/C=C\C(=O)c2cc(O)ccc2O)cc(C)c1OCC(=O)[O-] ZINC000832881633 601825945 /nfs/dbraw/zinc/82/59/45/601825945.db2.gz UAMUPFWVEZTNRE-HYXAFXHYSA-N -1 0 342.347 3.074 20 30 EGEDRM C[C@@H](C#N)CN(C)C(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000825966528 601987622 /nfs/dbraw/zinc/98/76/22/601987622.db2.gz GEGLOHGQWZYVNN-QMMMGPOBSA-N -1 0 329.278 3.027 20 30 EGEDRM C[C@H](Oc1ccc(C=NNCc2ccccc2Cl)cc1)C(=O)[O-] ZINC000794901296 602072893 /nfs/dbraw/zinc/07/28/93/602072893.db2.gz LEMSJPPLIKEPFO-LBPRGKRZSA-N -1 0 332.787 3.316 20 30 EGEDRM C[C@H](Oc1ccc(C=NNCc2cccc(Cl)c2)cc1)C(=O)[O-] ZINC000794918570 602076374 /nfs/dbraw/zinc/07/63/74/602076374.db2.gz JHDGJCDVKVTJLT-LBPRGKRZSA-N -1 0 332.787 3.316 20 30 EGEDRM C[C@H](Oc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)[O-] ZINC000794690119 602105083 /nfs/dbraw/zinc/10/50/83/602105083.db2.gz ICBOBNBNVLPJAS-PMDBQALLSA-N -1 0 341.319 3.343 20 30 EGEDRM C[C@H](Oc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1)C(=O)[O-] ZINC000794692791 602105701 /nfs/dbraw/zinc/10/57/01/602105701.db2.gz WQAJJBVVHGQGGU-QNCMIEPLSA-N -1 0 341.319 3.343 20 30 EGEDRM C[C@H](CC(=O)[O-])C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 ZINC000827309727 602144496 /nfs/dbraw/zinc/14/44/96/602144496.db2.gz CPPLFDFCRVCVHT-CYBMUJFWSA-N -1 0 338.363 3.187 20 30 EGEDRM C[C@@H](OC1CCCCCC1)C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000827873844 602264752 /nfs/dbraw/zinc/26/47/52/602264752.db2.gz QXNDIXWIOLCVQU-DYVFJYSZSA-N -1 0 345.395 3.355 20 30 EGEDRM Cc1oc(COC(=O)C(C)(C)Oc2ccc(C#N)cc2)cc1C(=O)[O-] ZINC000833025909 604408886 /nfs/dbraw/zinc/40/88/86/604408886.db2.gz AHLNATMHDSSEOT-UHFFFAOYSA-N -1 0 343.335 3.059 20 30 EGEDRM C=CCSc1ccccc1NC(=O)CN(C)C1(C(=O)[O-])CCCC1 ZINC000825702286 604452782 /nfs/dbraw/zinc/45/27/82/604452782.db2.gz IBZFGADSHFSONB-UHFFFAOYSA-N -1 0 348.468 3.232 20 30 EGEDRM C[C@@H](Oc1ccc(CN(CCC#N)Cc2ccco2)cc1)C(=O)[O-] ZINC000833538188 604517846 /nfs/dbraw/zinc/51/78/46/604517846.db2.gz RLJOGUVKDLVFCR-CQSZACIVSA-N -1 0 328.368 3.047 20 30 EGEDRM C=CCc1cc(CN(C)Cc2cc(C(=O)[O-])c(C)o2)cc(OC)c1O ZINC000833379894 604525435 /nfs/dbraw/zinc/52/54/35/604525435.db2.gz PFMCFICJLXPFCT-UHFFFAOYSA-N -1 0 345.395 3.361 20 30 EGEDRM C=CCN(Cc1cccc(C#N)c1)Cc1cccc(C(=O)[O-])c1C#N ZINC000833375870 604603646 /nfs/dbraw/zinc/60/36/46/604603646.db2.gz IGXQFUATYOZJKU-UHFFFAOYSA-N -1 0 331.375 3.316 20 30 EGEDRM C=C(C)[C@@H](CC(=O)Oc1ccc2c(c1)c(C(=O)[O-])c(C)n2C)OCC ZINC000833368876 604614701 /nfs/dbraw/zinc/61/47/01/604614701.db2.gz WGDQSRREHQWPRM-MRXNPFEDSA-N -1 0 345.395 3.462 20 30 EGEDRM C[C@@H](CN(Cc1ccccc1)c1ccc(Cl)c(C#N)n1)C(=O)[O-] ZINC000827456454 604633066 /nfs/dbraw/zinc/63/30/66/604633066.db2.gz WSEFHJVJWMEREN-LBPRGKRZSA-N -1 0 329.787 3.334 20 30 EGEDRM COc1cc([N+](=O)[O-])ccc1N=NC(C)c1ccc(C(=O)[O-])cc1 ZINC000832098113 604639943 /nfs/dbraw/zinc/63/99/43/604639943.db2.gz UPCUCVCNYGGRIB-UHFFFAOYSA-N -1 0 329.312 3.138 20 30 EGEDRM C#CC[C@H](NC(=O)Nc1nc(CCC(=O)[O-])cs1)c1ccccc1 ZINC000833360934 604659969 /nfs/dbraw/zinc/65/99/69/604659969.db2.gz SVGCFBZCGUTIMJ-AWEZNQCLSA-N -1 0 343.408 3.046 20 30 EGEDRM CC(N=Nc1ccc(C(=O)[O-])cn1)c1cccc(Br)c1 ZINC000763370555 604666657 /nfs/dbraw/zinc/66/66/57/604666657.db2.gz RFZUKXVZFMUGAQ-UHFFFAOYSA-N -1 0 334.173 3.378 20 30 EGEDRM N#Cc1ccc(/C=C/C(=O)c2ccc(OCC(=O)[O-])cc2)c(F)c1 ZINC000833073192 604772245 /nfs/dbraw/zinc/77/22/45/604772245.db2.gz XAGHRBHAKWRNHM-VMPITWQZSA-N -1 0 325.295 3.057 20 30 EGEDRM C#Cc1cccc(NC(=S)N2CCc3ccc(C(=O)[O-])cc3C2)c1 ZINC000833366824 604791956 /nfs/dbraw/zinc/79/19/56/604791956.db2.gz DNIZYCBKYPOANM-UHFFFAOYSA-N -1 0 336.416 3.121 20 30 EGEDRM C=C[C@@H](CC(=O)N1CCOc2c(C(=O)[O-])cccc21)c1ccccc1 ZINC000833371917 604842305 /nfs/dbraw/zinc/84/23/05/604842305.db2.gz WYMIXKSTRDDRRD-AWEZNQCLSA-N -1 0 337.375 3.470 20 30 EGEDRM C=CCN(C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1)C1CC1 ZINC000833375128 604910114 /nfs/dbraw/zinc/91/01/14/604910114.db2.gz XATVOWRDLWWSGZ-UHFFFAOYSA-N -1 0 329.400 3.167 20 30 EGEDRM C=CCCCN(C)C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000825671287 604915043 /nfs/dbraw/zinc/91/50/43/604915043.db2.gz KPHKQUBZLMLSFB-UHFFFAOYSA-N -1 0 326.780 3.233 20 30 EGEDRM C=C(Br)CN(C)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000833367874 604959719 /nfs/dbraw/zinc/95/97/19/604959719.db2.gz XUNPPRXHMMNBLT-LLVKDONJSA-N -1 0 338.123 3.070 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1cc(C(C)C)on1 ZINC000833379609 605041991 /nfs/dbraw/zinc/04/19/91/605041991.db2.gz IPVPSGYFYLWUOQ-UHFFFAOYSA-N -1 0 345.351 3.453 20 30 EGEDRM CC(C)CN(C(=O)C1CCC(C(=O)[O-])CC1)c1ccc(C#N)cc1 ZINC000833485286 605084658 /nfs/dbraw/zinc/08/46/58/605084658.db2.gz MHILZQKFSVGIGX-UHFFFAOYSA-N -1 0 328.412 3.438 20 30 EGEDRM C=CCOc1cccnc1C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000761727524 605087661 /nfs/dbraw/zinc/08/76/61/605087661.db2.gz VVBPLQSGPDVTMU-UHFFFAOYSA-N -1 0 332.743 3.250 20 30 EGEDRM C#CCn1cnc(-c2ccccc2)c1NC(=O)CC(C)(C)CC(=O)[O-] ZINC000833368744 605105263 /nfs/dbraw/zinc/10/52/63/605105263.db2.gz SNQLIUGXVZSHSD-UHFFFAOYSA-N -1 0 339.395 3.013 20 30 EGEDRM C#CCOc1ccccc1[C@@H](C)OC(=O)C1CCC(C(=O)[O-])CC1 ZINC000833367393 605116370 /nfs/dbraw/zinc/11/63/70/605116370.db2.gz XEGMFVRLDDCSET-WLYUNCDWSA-N -1 0 330.380 3.194 20 30 EGEDRM CN(C)c1cc(F)ccc1C(=O)/C=C/c1ccc(OCC(=O)[O-])cc1 ZINC000764443846 605145682 /nfs/dbraw/zinc/14/56/82/605145682.db2.gz YVDPWYZVFISXRV-BJMVGYQFSA-N -1 0 343.354 3.251 20 30 EGEDRM C=CCN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1C(=O)[O-] ZINC000833376057 605191936 /nfs/dbraw/zinc/19/19/36/605191936.db2.gz MGNUJIBAHBCAAV-UHFFFAOYSA-N -1 0 331.393 3.075 20 30 EGEDRM C=CCN(Cc1cccc(C#N)c1)C(=O)Cc1ccccc1C(=O)[O-] ZINC000833375621 605239820 /nfs/dbraw/zinc/23/98/20/605239820.db2.gz BWGMBRATDQJDFP-UHFFFAOYSA-N -1 0 334.375 3.014 20 30 EGEDRM C=CCOc1ccc(C(=O)OCc2ccc(C(=O)[O-])cc2)cc1OC ZINC000833377746 605277034 /nfs/dbraw/zinc/27/70/34/605277034.db2.gz LSHSIQAZMZQQPM-UHFFFAOYSA-N -1 0 342.347 3.315 20 30 EGEDRM C=CCN1C(=O)N[C@H](c2cc(C)c3ncccc3c2)C(C(=O)[O-])=C1C ZINC000833377212 605338732 /nfs/dbraw/zinc/33/87/32/605338732.db2.gz RGICFZOPNKEEHR-QGZVFWFLSA-N -1 0 337.379 3.154 20 30 EGEDRM C=CCc1ccccc1OS(=O)(=O)c1cc(C(=O)[O-])oc1CC ZINC000833379466 605421585 /nfs/dbraw/zinc/42/15/85/605421585.db2.gz CWHZSEUJNKMAJF-UHFFFAOYSA-N -1 0 336.365 3.036 20 30 EGEDRM C[C@@H]1C[C@@H](NN=Cc2ccc(-c3ccccc3C(=O)[O-])o2)CCO1 ZINC000833597024 605582018 /nfs/dbraw/zinc/58/20/18/605582018.db2.gz IQOWYCBKRMRMNV-OLZOCXBDSA-N -1 0 328.368 3.136 20 30 EGEDRM CC(=NNc1cccc(C(=O)[O-])c1)c1nnn(-c2ccccc2)c1C ZINC000747603151 605592166 /nfs/dbraw/zinc/59/21/66/605592166.db2.gz WLDIOJZRTJENFD-UHFFFAOYSA-N -1 0 335.367 3.110 20 30 EGEDRM COc1ccc(/C=C/C(=O)c2ccc(O)cc2[O-])c(OC)c1OC ZINC000036462957 1291396177 /nfs/dbraw/zinc/39/61/77/1291396177.db2.gz XKHWXRFYEXARHO-XBXARRHUSA-N -1 0 330.336 3.020 20 30 EGEDRM COc1ccccc1CC(=O)[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC000046929879 1291558158 /nfs/dbraw/zinc/55/81/58/1291558158.db2.gz SHINHWZMUCDDFK-UHFFFAOYSA-N -1 0 333.409 3.200 20 30 EGEDRM Cc1ccc(OCCC(=O)[N-]S(=O)(=O)c2ccccc2)c(C)c1 ZINC000048406574 1291603321 /nfs/dbraw/zinc/60/33/21/1291603321.db2.gz QJZKUXVNCKLYMX-UHFFFAOYSA-N -1 0 333.409 3.418 20 30 EGEDRM CCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000048418528 1291604829 /nfs/dbraw/zinc/60/48/29/1291604829.db2.gz BPAUWRFDSNRYTD-LLVKDONJSA-N -1 0 328.390 3.456 20 30 EGEDRM O=C(C[C@@H]1CCCO1)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000048519274 1291608739 /nfs/dbraw/zinc/60/87/39/1291608739.db2.gz CCNGGUTYVOVUDI-QMMMGPOBSA-N -1 0 338.212 3.208 20 30 EGEDRM CCCc1ccc(S(=O)(=O)[N-]C(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000048562070 1291611153 /nfs/dbraw/zinc/61/11/53/1291611153.db2.gz WYPNPGQYRRQUHE-UHFFFAOYSA-N -1 0 348.380 3.241 20 30 EGEDRM Cc1c2ccccc2oc1C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000048598104 1291611986 /nfs/dbraw/zinc/61/19/86/1291611986.db2.gz NHHGKPFEIPBGHX-UHFFFAOYSA-N -1 0 340.360 3.306 20 30 EGEDRM Cc1nc(-c2cccs2)sc1C(=O)[N-]S(=O)(=O)C(C)C ZINC000049417969 1291628942 /nfs/dbraw/zinc/62/89/42/1291628942.db2.gz RWXYYTACTOGGHA-UHFFFAOYSA-N -1 0 330.456 3.223 20 30 EGEDRM CC(C)Cc1nc(C(=O)[N-]S(=O)(=O)c2cccs2)cs1 ZINC000049501117 1291629743 /nfs/dbraw/zinc/62/97/43/1291629743.db2.gz BSVBWCZKJIMSPY-UHFFFAOYSA-N -1 0 330.456 3.097 20 30 EGEDRM Cc1noc(C)c1CC(=O)[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000058039366 1291874884 /nfs/dbraw/zinc/87/48/84/1291874884.db2.gz YBHRHGFHHAICII-UHFFFAOYSA-N -1 0 346.408 3.108 20 30 EGEDRM Cc1ccccc1CC(=O)[N-]S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000058149498 1291880071 /nfs/dbraw/zinc/88/00/71/1291880071.db2.gz ORNJPBRDEXDZJS-UHFFFAOYSA-N -1 0 338.816 3.072 20 30 EGEDRM Cc1nn(C)c(C)c1[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C)cc1C ZINC000060765614 1291941102 /nfs/dbraw/zinc/94/11/02/1291941102.db2.gz AHPCJDGMYHFQJM-GFCCVEGCSA-N -1 0 349.456 3.103 20 30 EGEDRM CC(=O)c1cccc(S(=O)(=O)[N-]C(=O)CSCCC(C)C)c1 ZINC000066003232 1292103643 /nfs/dbraw/zinc/10/36/43/1292103643.db2.gz JYQFENFUMKEBCP-UHFFFAOYSA-N -1 0 343.470 3.314 20 30 EGEDRM C[C@H](Oc1ccc(F)c(F)c1)C(=O)[N-]S(=O)(=O)c1cccs1 ZINC000068721601 1292213112 /nfs/dbraw/zinc/21/31/12/1292213112.db2.gz RRDYVXAPXZLRRQ-QMMMGPOBSA-N -1 0 347.364 3.139 20 30 EGEDRM CC(C)CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000069282135 1292238056 /nfs/dbraw/zinc/23/80/56/1292238056.db2.gz VHHCXRKHUVCYKH-LLVKDONJSA-N -1 0 333.837 3.436 20 30 EGEDRM CC(C)CS(=O)(=O)[N-]C(=O)[C@@H](C)Oc1ccc(F)cc1Cl ZINC000073289715 1292314314 /nfs/dbraw/zinc/31/43/14/1292314314.db2.gz JATIBDCHYABSSY-SECBINFHSA-N -1 0 337.800 3.189 20 30 EGEDRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1sccc1-c1ccccc1 ZINC000073839445 1292326960 /nfs/dbraw/zinc/32/69/60/1292326960.db2.gz WVLIDDGXSUBWRJ-LLVKDONJSA-N -1 0 339.438 3.084 20 30 EGEDRM CCCc1ncc(C(=O)[N-]S(=O)(=O)Cc2ccc(F)cc2)s1 ZINC000076762849 1292441837 /nfs/dbraw/zinc/44/18/37/1292441837.db2.gz NTVLZNCQGAHBDF-UHFFFAOYSA-N -1 0 342.417 3.069 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)C2=Cc3ccccc3OC2)cc1C ZINC000077943135 1292491077 /nfs/dbraw/zinc/49/10/77/1292491077.db2.gz HSHVFBGSHZUYFG-UHFFFAOYSA-N -1 0 343.404 3.425 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)c2csc3ccccc23)cc1 ZINC000077943946 1292491282 /nfs/dbraw/zinc/49/12/82/1292491282.db2.gz AYUGKZCDMJSAEZ-UHFFFAOYSA-N -1 0 342.401 3.466 20 30 EGEDRM CCOc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(Cl)o2)cc1 ZINC000077942410 1292491497 /nfs/dbraw/zinc/49/14/97/1292491497.db2.gz CRJYQNUMWQXYLO-UHFFFAOYSA-N -1 0 329.761 3.025 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@H]2CCC(C)=C(C)C2)n1 ZINC000829799975 1292623104 /nfs/dbraw/zinc/62/31/04/1292623104.db2.gz SLPBHPQMFFSCGX-UONOGXRCSA-N -1 0 332.425 3.308 20 30 EGEDRM N#Cc1csc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000083937365 1292691458 /nfs/dbraw/zinc/69/14/58/1292691458.db2.gz OJIRYDMLMIFRMD-UHFFFAOYSA-N -1 0 332.815 3.028 20 30 EGEDRM Cc1c(C(=O)[N-]S(=O)(=O)C2CCCC2)cnn1-c1ccccc1C ZINC000086054704 1292727415 /nfs/dbraw/zinc/72/74/15/1292727415.db2.gz SBSYQZAKMZOGGO-UHFFFAOYSA-N -1 0 347.440 3.066 20 30 EGEDRM O=C(CSc1ccc(F)c(F)c1)[N-]S(=O)(=O)C1CCCC1 ZINC000086055890 1292728337 /nfs/dbraw/zinc/72/83/37/1292728337.db2.gz FPWADAGYHKHBKY-UHFFFAOYSA-N -1 0 335.397 3.286 20 30 EGEDRM Cc1nn(-c2ccccc2)c(C)c1C(=O)[N-]S(=O)(=O)C1CCCC1 ZINC000086056425 1292728513 /nfs/dbraw/zinc/72/85/13/1292728513.db2.gz YHMMYVXVXKIUJR-UHFFFAOYSA-N -1 0 347.440 3.066 20 30 EGEDRM Cc1sc(-c2ccco2)nc1C(=O)[N-]S(=O)(=O)C1CCCC1 ZINC000086055549 1292728898 /nfs/dbraw/zinc/72/88/98/1292728898.db2.gz NIWKIKUBMXCMIQ-UHFFFAOYSA-N -1 0 340.426 3.289 20 30 EGEDRM CC(C)(C)OC(=O)[C@H](C(=O)Nc1cc(C#N)ccc1[O-])C(C)(C)C ZINC000831271873 1292833418 /nfs/dbraw/zinc/83/34/18/1292833418.db2.gz NGJILUBOGOYPCL-AWEZNQCLSA-N -1 0 332.400 3.206 20 30 EGEDRM N#CC(C(=O)Nc1ccc(Cl)cc1Cl)=C([O-])c1cscn1 ZINC000103330219 1293001812 /nfs/dbraw/zinc/00/18/12/1293001812.db2.gz BIHYBOFLNQPYEE-QMMMGPOBSA-N -1 0 340.191 3.411 20 30 EGEDRM CC[C@@H](C)CC=Nn1c(SCC(=O)[O-])nnc1-c1ccoc1C ZINC000834936035 1293178309 /nfs/dbraw/zinc/17/83/09/1293178309.db2.gz OZCIBHDBZKAXSO-SNVBAGLBSA-N -1 0 336.417 3.293 20 30 EGEDRM CCOC(=O)[C@@H]1CCC(N=Nc2ccc(C(=O)[O-])c(F)c2)C[C@@H]1C ZINC000835010101 1293186494 /nfs/dbraw/zinc/18/64/94/1293186494.db2.gz OHINZFNPQVWNRH-GXFFZTMASA-N -1 0 336.363 3.291 20 30 EGEDRM C[C@H](Oc1cccc(C=NN[C@@H]2CCc3c2cccc3F)c1)C(=O)[O-] ZINC000835020518 1293189676 /nfs/dbraw/zinc/18/96/76/1293189676.db2.gz NFUFHJNKGFDRKV-KPZWWZAWSA-N -1 0 342.370 3.289 20 30 EGEDRM C[C@H](c1ccc(C([O-])=C(C#N)C(=O)N2CCCC2)cc1)C(F)(F)F ZINC000835057319 1293194944 /nfs/dbraw/zinc/19/49/44/1293194944.db2.gz AWTLWIXSUODJRY-RISCZKNCSA-N -1 0 338.329 3.297 20 30 EGEDRM C[C@@H]1CCc2sc(C([O-])=C(C#N)C(=O)NC3CCCC3)cc2C1 ZINC000119746426 1293286973 /nfs/dbraw/zinc/28/69/73/1293286973.db2.gz DNHDGFSDYUZCAT-RISCZKNCSA-N -1 0 330.453 3.254 20 30 EGEDRM C=CCNC(=O)C(C#N)=C([O-])c1cc(-c2ccc(F)cc2)c(C)s1 ZINC000120042248 1293300194 /nfs/dbraw/zinc/30/01/94/1293300194.db2.gz BXOAOPJCMRTTAK-HNNXBMFYSA-N -1 0 342.395 3.487 20 30 EGEDRM Cc1c2cc(F)ccc2sc1C([O-])=C(C#N)C(=O)N1CCCC1 ZINC000121173443 1293359172 /nfs/dbraw/zinc/35/91/72/1293359172.db2.gz BNPXSGNBZWMVTC-ZDUSSCGKSA-N -1 0 330.384 3.294 20 30 EGEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc(Oc2ccccc2)o1 ZINC000122913878 1293428911 /nfs/dbraw/zinc/42/89/11/1293428911.db2.gz PISVOIWYBOXJLO-ZDUSSCGKSA-N -1 0 335.319 3.011 20 30 EGEDRM C#CCCCCCC(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1F ZINC000836067389 1293434971 /nfs/dbraw/zinc/43/49/71/1293434971.db2.gz DRESXUWLCUSWIU-UHFFFAOYSA-N -1 0 347.411 3.368 20 30 EGEDRM O=C([O-])c1cccc(/C=C2/COc3c(cc(F)cc3[N+](=O)[O-])C2=O)c1 ZINC000126611513 1293540049 /nfs/dbraw/zinc/54/00/49/1293540049.db2.gz LOYYENOKGIOQMD-WZUFQYTHSA-N -1 0 343.266 3.091 20 30 EGEDRM COc1cccc(O[C@@H](C)C/N=C/c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000132393635 1293717328 /nfs/dbraw/zinc/71/73/28/1293717328.db2.gz VRXLQZAESIIZIU-HWQJWEFDSA-N -1 0 330.340 3.195 20 30 EGEDRM CCC(CC)n1nccc1C([O-])=C(C#N)C(=O)NC1CCCCC1 ZINC000132636914 1293724862 /nfs/dbraw/zinc/72/48/62/1293724862.db2.gz SPTDLOFIXVDROI-HNNXBMFYSA-N -1 0 330.432 3.016 20 30 EGEDRM C=CCC(CC=C)C(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000151073431 1293906817 /nfs/dbraw/zinc/90/68/17/1293906817.db2.gz XWWXOTPYKTYDOJ-UHFFFAOYSA-N -1 0 329.421 3.413 20 30 EGEDRM C=CCCOC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000156811715 1294160294 /nfs/dbraw/zinc/16/02/94/1294160294.db2.gz FBEHHHYITDDXIZ-UHFFFAOYSA-N -1 0 337.422 3.282 20 30 EGEDRM CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2oc(C)cc2C)C1=O ZINC000174997361 1294535018 /nfs/dbraw/zinc/53/50/18/1294535018.db2.gz DENWPHJVEAJRHD-SFHVURJKSA-N -1 0 349.431 3.212 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(OC(C)(C)C)cc1 ZINC000176016771 1294585507 /nfs/dbraw/zinc/58/55/07/1294585507.db2.gz YIJCPTGNBWOWLX-INIZCTEOSA-N -1 0 330.428 3.493 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)c2cc(F)ccc2Br)c1 ZINC000176826559 1294635690 /nfs/dbraw/zinc/63/56/90/1294635690.db2.gz CCTRWARCQQXVSB-UHFFFAOYSA-N -1 0 335.132 3.418 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)c2cc(Cl)nc(N3CCCC3)c2)c1 ZINC000176828733 1294636686 /nfs/dbraw/zinc/63/66/86/1294636686.db2.gz IIDOQPQLIKZELS-UHFFFAOYSA-N -1 0 342.786 3.165 20 30 EGEDRM [O-]c1c(Br)cc(Br)cc1/C=N/[C@@H]1CCOC1 ZINC000178886205 1294760588 /nfs/dbraw/zinc/76/05/88/1294760588.db2.gz ICBPCTUZKIMDAB-SVOHMGGZSA-N -1 0 349.022 3.125 20 30 EGEDRM Cc1cc(-n2c(C)cc(C(=O)Nc3cc(C#N)ccc3[O-])c2C)no1 ZINC000179734646 1294819582 /nfs/dbraw/zinc/81/95/82/1294819582.db2.gz TZXGMRIRASDDIO-UHFFFAOYSA-N -1 0 336.351 3.220 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(N(C)CCC)cc1 ZINC000179976690 1294847876 /nfs/dbraw/zinc/84/78/76/1294847876.db2.gz WLEOICCIFUPTRW-KRWDZBQOSA-N -1 0 329.444 3.162 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cc(C)c(OC)c(C)c1 ZINC000180734811 1294911765 /nfs/dbraw/zinc/91/17/65/1294911765.db2.gz JLRYEPBVMZDXFU-INIZCTEOSA-N -1 0 330.428 3.331 20 30 EGEDRM C#CCCCCC(=O)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000180732673 1294912386 /nfs/dbraw/zinc/91/23/86/1294912386.db2.gz OVLUWCGJZTUHHY-UHFFFAOYSA-N -1 0 340.253 3.053 20 30 EGEDRM N#CCCCS(=O)(=O)[N-]C(=O)c1ccc(C2CCCCC2)cc1 ZINC000181283257 1294952984 /nfs/dbraw/zinc/95/29/84/1294952984.db2.gz OWHAAPSBPOCBRI-UHFFFAOYSA-N -1 0 334.441 3.098 20 30 EGEDRM COc1cc(/C=C2/Cc3ccccc3C2=O)ccc1OCCC(=O)[O-] ZINC000181673920 1294983856 /nfs/dbraw/zinc/98/38/56/1294983856.db2.gz VIUFPDZYOCVROF-GDNBJRDFSA-N -1 0 338.359 3.371 20 30 EGEDRM CC(C)Cc1nc(C([O-])=C(C#N)C(=O)NC2CCCCC2)cs1 ZINC000195286248 1296053558 /nfs/dbraw/zinc/05/35/58/1296053558.db2.gz ZLBUFHLSYUEXIW-ZDUSSCGKSA-N -1 0 333.457 3.113 20 30 EGEDRM COc1cccc(C(=O)/C=C\c2cccc(OCCC(=O)[O-])c2)c1 ZINC000208115032 1296097968 /nfs/dbraw/zinc/09/79/68/1296097968.db2.gz UUDXUAPQHPITFO-HJWRWDBZSA-N -1 0 326.348 3.445 20 30 EGEDRM C[C@H](Oc1cccc(/C=C\C(=O)c2cccc([N+](=O)[O-])c2)c1)C(=O)[O-] ZINC000208113533 1296098571 /nfs/dbraw/zinc/09/85/71/1296098571.db2.gz PMTUZFHNQKGCOR-LAUAKBEESA-N -1 0 341.319 3.343 20 30 EGEDRM COc1cc(OC)c(OC)cc1/C=C\C(=O)c1ccc(C(=O)[O-])s1 ZINC000213228683 1296110912 /nfs/dbraw/zinc/11/09/12/1296110912.db2.gz YWUVQIQDQNPXRI-PLNGDYQASA-N -1 0 348.376 3.368 20 30 EGEDRM CCCOc1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc1C ZINC000871653872 1296469739 /nfs/dbraw/zinc/46/97/39/1296469739.db2.gz DPWCUQAODUCIJS-SUQGKYDKSA-N -1 0 328.364 3.012 20 30 EGEDRM CNC(=O)c1cccc(N=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])c1 ZINC000255642426 1296556324 /nfs/dbraw/zinc/55/63/24/1296556324.db2.gz AEUNJRVOVJVJBA-UHFFFAOYSA-N -1 0 333.731 3.064 20 30 EGEDRM C=CCC[C@H](NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000262952369 1296654796 /nfs/dbraw/zinc/65/47/96/1296654796.db2.gz QSBXJZZOPAUVCQ-ZDUSSCGKSA-N -1 0 334.372 3.042 20 30 EGEDRM C=CCC[C@@H](NC(=O)[C@H](C)Oc1cccc(Cl)c1Cl)C(=O)[O-] ZINC000263001466 1296655933 /nfs/dbraw/zinc/65/59/33/1296655933.db2.gz WJGWBEBMYUHZIP-GXSJLCMTSA-N -1 0 346.210 3.296 20 30 EGEDRM C=CCC[C@H](NC(=O)c1ccccc1CCC(F)(F)F)C(=O)[O-] ZINC000263520631 1296688886 /nfs/dbraw/zinc/68/88/86/1296688886.db2.gz HBLBVTCAEZFYJW-ZDUSSCGKSA-N -1 0 329.318 3.331 20 30 EGEDRM C#Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000314632287 1297129133 /nfs/dbraw/zinc/12/91/33/1297129133.db2.gz JEVZVAKITMBHQL-UHFFFAOYSA-N -1 0 336.756 3.030 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000316381286 1297142696 /nfs/dbraw/zinc/14/26/96/1297142696.db2.gz MWHIJYYBOBXZGF-UHFFFAOYSA-N -1 0 336.697 3.463 20 30 EGEDRM C[C@H](CCc1ccc2c(c1)OCO2)/N=C\c1cc([N+](=O)[O-])ccc1[O-] ZINC000745624099 1298435608 /nfs/dbraw/zinc/43/56/08/1298435608.db2.gz FMTZSYRTSFUWQY-FGHSJCFPSA-N -1 0 342.351 3.469 20 30 EGEDRM CC(C)CCN=Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000748085892 1298925125 /nfs/dbraw/zinc/92/51/25/1298925125.db2.gz PDHQWUYWRRVRIW-UHFFFAOYSA-N -1 0 338.458 3.388 20 30 EGEDRM O=C([O-])CCOc1ccc(/C=C2/Oc3ccc(F)cc3C2=O)cc1 ZINC000749744869 1299263573 /nfs/dbraw/zinc/26/35/73/1299263573.db2.gz AJSHWGVRJLLRJP-CXUHLZMHSA-N -1 0 328.295 3.295 20 30 EGEDRM CN(N=Cc1cc(F)c([O-])c(F)c1)C(=S)NCc1ccccc1 ZINC000749859515 1299287558 /nfs/dbraw/zinc/28/75/58/1299287558.db2.gz WIEZHRRBMSSUEL-UHFFFAOYSA-N -1 0 335.379 3.011 20 30 EGEDRM COc1cccc(NC(=S)NN=Cc2cccc(Cl)c2[O-])c1 ZINC000753160956 1299885909 /nfs/dbraw/zinc/88/59/09/1299885909.db2.gz NZMRLYSYJMLXDA-UHFFFAOYSA-N -1 0 335.816 3.375 20 30 EGEDRM CCCCCCCC(=O)[N-]S(=O)(=O)c1cc(C)c(F)cc1F ZINC000754794910 1300217665 /nfs/dbraw/zinc/21/76/65/1300217665.db2.gz FVAFKCGEVZUTBC-UHFFFAOYSA-N -1 0 333.400 3.439 20 30 EGEDRM O=C(C=Cc1c[nH]nc1-c1ccc2c(c1)OCO2)c1ccccc1[O-] ZINC000757476655 1300676754 /nfs/dbraw/zinc/67/67/54/1300676754.db2.gz YDCPTVQHZBDMSL-ALCCZGGFSA-N -1 0 334.331 3.407 20 30 EGEDRM C#CC[C@@H](NC(=O)c1nn(-c2ccccc2F)cc1[O-])c1ccccc1 ZINC000757625207 1300697089 /nfs/dbraw/zinc/69/70/89/1300697089.db2.gz XOURBURJNOJRIX-MRXNPFEDSA-N -1 0 349.365 3.211 20 30 EGEDRM COc1cc2c(cc1/C=C/C(=O)c1csc(C(=O)[O-])c1)OCO2 ZINC000758929136 1300982085 /nfs/dbraw/zinc/98/20/85/1300982085.db2.gz ASBVCTWKZKDTRT-NSCUHMNNSA-N -1 0 332.333 3.080 20 30 EGEDRM COc1cc(F)c(C(C)=NNc2ccc(C(=O)[O-])cc2)cc1OC ZINC000760217886 1301235794 /nfs/dbraw/zinc/23/57/94/1301235794.db2.gz KOJCSFBVSZJVBE-UHFFFAOYSA-N -1 0 332.331 3.377 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2csc(Cl)c2Cl)C(=O)O1 ZINC000761476086 1301478799 /nfs/dbraw/zinc/47/87/99/1301478799.db2.gz RCTJSVLUHJUTOA-VMZHVLLKSA-N -1 0 331.176 3.283 20 30 EGEDRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(OCC#N)c2)c1 ZINC000765640916 1302296698 /nfs/dbraw/zinc/29/66/98/1302296698.db2.gz HGCBYGZBNDLXFA-UHFFFAOYSA-N -1 0 336.800 3.352 20 30 EGEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1ccc(-c2ccco2)s1 ZINC000766263069 1302417857 /nfs/dbraw/zinc/41/78/57/1302417857.db2.gz ALGXFYKZRZAJMD-LBPRGKRZSA-N -1 0 328.393 3.389 20 30 EGEDRM CCc1cnccc1C(=O)/C=C\c1cc(OC)c([O-])c([N+](=O)[O-])c1 ZINC000766780224 1302516972 /nfs/dbraw/zinc/51/69/72/1302516972.db2.gz WCHVJMSFXKEZSU-PLNGDYQASA-N -1 0 328.324 3.163 20 30 EGEDRM COc1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)nc1Cl ZINC000766845925 1302530737 /nfs/dbraw/zinc/53/07/37/1302530737.db2.gz HEWOTXJCCPLNFB-VIFPVBQESA-N -1 0 327.727 3.375 20 30 EGEDRM C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000769244379 1303080587 /nfs/dbraw/zinc/08/05/87/1303080587.db2.gz PMTCZZIHWSMSEM-JTQLQIEISA-N -1 0 339.376 3.394 20 30 EGEDRM CC(=NNc1ccnc(Br)c1)c1ccc(CC(=O)[O-])cc1 ZINC000769809473 1303177763 /nfs/dbraw/zinc/17/77/63/1303177763.db2.gz CGTRFRLBEUSTLN-UHFFFAOYSA-N -1 0 348.200 3.307 20 30 EGEDRM CCN(c1ccc(C([O-])=C(C#N)C(=O)NC2CCCC2)cc1)C(C)C ZINC000770109391 1303222146 /nfs/dbraw/zinc/22/21/46/1303222146.db2.gz FCIDDYOSNKSFFQ-SFHVURJKSA-N -1 0 341.455 3.303 20 30 EGEDRM COc1cc(F)c(C(=O)/C=C\c2cc([O-])ccc2[N+](=O)[O-])cc1OC ZINC000772803312 1303579178 /nfs/dbraw/zinc/57/91/78/1303579178.db2.gz SMQORXDXTUWGEC-UTCJRWHESA-N -1 0 347.298 3.353 20 30 EGEDRM C=C(C)CN(Cc1ccccc1)C(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-] ZINC000887310710 1303736923 /nfs/dbraw/zinc/73/69/23/1303736923.db2.gz NLOKWUURSPVAFQ-XDNAFOTISA-N -1 0 325.408 3.114 20 30 EGEDRM C[C@H](Cc1ccccc1)n1cccc1C([O-])=C(C#N)C(=O)N1CCCC1 ZINC000773765590 1303737592 /nfs/dbraw/zinc/73/75/92/1303737592.db2.gz YEDKIJQFIDMDOE-SJLPKXTDSA-N -1 0 349.434 3.237 20 30 EGEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1cc(C)sn1)c1ccccc1 ZINC000774258510 1303790859 /nfs/dbraw/zinc/79/08/59/1303790859.db2.gz AXTWREABHZWLHZ-KGLIPLIRSA-N -1 0 327.409 3.042 20 30 EGEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1ccc(C(C)=O)o1)c1ccccc1 ZINC000774259459 1303791120 /nfs/dbraw/zinc/79/11/20/1303791120.db2.gz JCOVZMBRBCVLIO-LSDHHAIUSA-N -1 0 338.363 3.072 20 30 EGEDRM Cc1nc(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)sc1C ZINC000774260360 1303791636 /nfs/dbraw/zinc/79/16/36/1303791636.db2.gz SWGKYTPQOYWJEC-ZDUSSCGKSA-N -1 0 347.827 3.052 20 30 EGEDRM O=C([O-])C(F)(F)Oc1ccc(/C=C\C(=O)c2cscn2)cc1 ZINC000776193665 1304110614 /nfs/dbraw/zinc/11/06/14/1304110614.db2.gz UJWPBNRKTOENFX-UTCJRWHESA-N -1 0 325.292 3.095 20 30 EGEDRM C=CCSc1ccccc1C(=O)[N-]S(=O)(=O)c1cccs1 ZINC000777283030 1304279428 /nfs/dbraw/zinc/27/94/28/1304279428.db2.gz XUXNPDXCAJUPJM-UHFFFAOYSA-N -1 0 339.463 3.145 20 30 EGEDRM Cc1cc(F)c2[nH]c(=O)cc(C(=O)Nc3cc(C#N)ccc3[O-])c2c1 ZINC000778941873 1304509682 /nfs/dbraw/zinc/50/96/82/1304509682.db2.gz CVNRWNRYYKYHIU-UHFFFAOYSA-N -1 0 337.310 3.218 20 30 EGEDRM CCCCCCCCCCC(=O)[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000780608570 1304714925 /nfs/dbraw/zinc/71/49/25/1304714925.db2.gz KLRVIDDOJGDNBU-HNNXBMFYSA-N -1 0 333.494 3.142 20 30 EGEDRM Cn1nc(C(F)(F)F)c(/C=C2\Oc3cc(O)ccc3C2=O)c1Cl ZINC000782107761 1304916820 /nfs/dbraw/zinc/91/68/20/1304916820.db2.gz NDNDZMKXDNBHHJ-YHYXMXQVSA-N -1 0 344.676 3.414 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)sc1C ZINC000786549380 1305595457 /nfs/dbraw/zinc/59/54/57/1305595457.db2.gz IIUKKEBKOARIPR-HNNXBMFYSA-N -1 0 326.421 3.312 20 30 EGEDRM N#Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000788206018 1305894031 /nfs/dbraw/zinc/89/40/31/1305894031.db2.gz SQCXYKPVPFFHPS-UHFFFAOYSA-N -1 0 346.170 3.200 20 30 EGEDRM C=CCNC(=O)C(C#N)=C([O-])c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC000788350704 1305926497 /nfs/dbraw/zinc/92/64/97/1305926497.db2.gz HGIZKEHOVIFBCU-HNAYVOBHSA-N -1 0 348.402 3.451 20 30 EGEDRM C=CCNC(=O)C(C#N)=C([O-])c1ccc(O[C@H](C)c2ccccc2)cc1 ZINC000788350701 1305927150 /nfs/dbraw/zinc/92/71/50/1305927150.db2.gz HGIZKEHOVIFBCU-BEFAXECRSA-N -1 0 348.402 3.451 20 30 EGEDRM N#CCOc1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2F)c1 ZINC000790053771 1306254758 /nfs/dbraw/zinc/25/47/58/1306254758.db2.gz JZDKJPXCVAAPJY-UHFFFAOYSA-N -1 0 340.763 3.182 20 30 EGEDRM CC1(C#N)CCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000894430976 1308879099 /nfs/dbraw/zinc/87/90/99/1308879099.db2.gz HVOUXJIRVASTSD-UHFFFAOYSA-N -1 0 327.197 3.419 20 30 EGEDRM CCCCCCCC(=O)[N-]S(=O)(=O)c1cnc2ccccc2c1 ZINC000791957943 1309097582 /nfs/dbraw/zinc/09/75/82/1309097582.db2.gz JVLMPPLXWCUTDK-UHFFFAOYSA-N -1 0 334.441 3.400 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2occc2C(C)C)n1 ZINC000792618301 1309198733 /nfs/dbraw/zinc/19/87/33/1309198733.db2.gz ZIBSPPZLONCMDV-GFCCVEGCSA-N -1 0 332.381 3.201 20 30 EGEDRM CC[C@H](NN=Cc1cc(OC)c(OC)cc1-c1ccccc1)C(=O)[O-] ZINC000793072792 1309290757 /nfs/dbraw/zinc/29/07/57/1309290757.db2.gz PKQQDURGMXAYOM-INIZCTEOSA-N -1 0 342.395 3.158 20 30 EGEDRM CC[C@@H](NN=C(Cc1ccccn1)c1ccc(Cl)cc1)C(=O)[O-] ZINC000793071833 1309291013 /nfs/dbraw/zinc/29/10/13/1309291013.db2.gz HRSJRCBXFMTMJK-OAHLLOKOSA-N -1 0 331.803 3.135 20 30 EGEDRM C[C@H](Oc1ccc(/C=C2/COc3cc(F)ccc3C2=O)cc1)C(=O)[O-] ZINC000794728424 1309584825 /nfs/dbraw/zinc/58/48/25/1309584825.db2.gz PODXXOINQMNWPM-LFTLCWSBSA-N -1 0 342.322 3.336 20 30 EGEDRM C[C@@H]1COC(=O)C1=N[N-]c1ncnc2sc(-c3ccccc3)cc21 ZINC000794870887 1309614043 /nfs/dbraw/zinc/61/40/43/1309614043.db2.gz SUFXOULLJSTOCG-SNVBAGLBSA-N -1 0 338.392 3.319 20 30 EGEDRM O=C(/C=C\c1ccc(Cl)cc1-n1cncn1)c1ccc(O)cc1[O-] ZINC000794940869 1309627694 /nfs/dbraw/zinc/62/76/94/1309627694.db2.gz DILPSUAIOMNGSN-KXFIGUGUSA-N -1 0 341.754 3.228 20 30 EGEDRM COc1ccccc1NC(=O)C(C#N)=C([O-])c1oc(C(C)C)nc1C ZINC000796746894 1310077738 /nfs/dbraw/zinc/07/77/38/1310077738.db2.gz PJRMIEIOTMXTNL-LBPRGKRZSA-N -1 0 341.367 3.076 20 30 EGEDRM COc1ccccc1NC(=O)C(C#N)=C([O-])c1oc(C(C)C)nc1C ZINC000796746893 1310077895 /nfs/dbraw/zinc/07/78/95/1310077895.db2.gz PJRMIEIOTMXTNL-GFCCVEGCSA-N -1 0 341.367 3.076 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000797747847 1310241519 /nfs/dbraw/zinc/24/15/19/1310241519.db2.gz YXOXTPRMYSRZOB-UHFFFAOYSA-N -1 0 336.363 3.252 20 30 EGEDRM C=CC[C@H](CC)NC(=O)c1cccc(I)c1[O-] ZINC000799035155 1310472244 /nfs/dbraw/zinc/47/22/44/1310472244.db2.gz ULBFBJJOXLSHJJ-VIFPVBQESA-N -1 0 345.180 3.081 20 30 EGEDRM COc1cc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)ccc1C#N ZINC000799465051 1310556706 /nfs/dbraw/zinc/55/67/06/1310556706.db2.gz XVJDPUODGWWMQC-UHFFFAOYSA-N -1 0 329.743 3.364 20 30 EGEDRM COc1cccc(/C=C/C(=O)c2ccc(OC)c(CC(=O)[O-])c2)c1F ZINC000799890659 1310634137 /nfs/dbraw/zinc/63/41/37/1310634137.db2.gz UDSCVVNRENCGGX-SOFGYWHQSA-N -1 0 344.338 3.366 20 30 EGEDRM CCCc1nc(C([O-])=C(C#N)C(=O)Nc2ccc(CC)cc2)co1 ZINC000802043111 1316975633 /nfs/dbraw/zinc/97/56/33/1316975633.db2.gz QNNJVNAPUJNCLL-AWEZNQCLSA-N -1 0 325.368 3.151 20 30 EGEDRM C[C@@H](Oc1cccc(/C=C\C(=O)c2ccnn2C2CCC2)c1)C(=O)[O-] ZINC000899396803 1317017638 /nfs/dbraw/zinc/01/76/38/1317017638.db2.gz IEEHKXHRXGPFCQ-LJTDUEICSA-N -1 0 340.379 3.356 20 30 EGEDRM C=C[C@@H](CC(=O)[N-]S(=O)(=O)c1sccc1C)c1ccccc1 ZINC000802866729 1317050445 /nfs/dbraw/zinc/05/04/45/1317050445.db2.gz PHZBCUUSDPERSF-ZDUSSCGKSA-N -1 0 335.450 3.221 20 30 EGEDRM C=CCN(CC(=O)[O-])Cc1cn(-c2ccccc2)nc1C(C)(C)C ZINC000901586819 1317449164 /nfs/dbraw/zinc/44/91/64/1317449164.db2.gz SWURDJWGAQFTBI-UHFFFAOYSA-N -1 0 327.428 3.242 20 30 EGEDRM C=CCC[C@H](NCc1nc2cc(Br)ccc2o1)C(=O)[O-] ZINC000901690212 1317463781 /nfs/dbraw/zinc/46/37/81/1317463781.db2.gz LRBGSDWZICWUMG-JTQLQIEISA-N -1 0 339.189 3.099 20 30 EGEDRM COc1ccc(/C=C\C(=O)c2cccc(C(=O)[O-])c2)c(OC)c1OC ZINC000806558556 1317500448 /nfs/dbraw/zinc/50/04/48/1317500448.db2.gz GFLIWFBCAMXMSL-CLFYSBASSA-N -1 0 342.347 3.307 20 30 EGEDRM CC(C)(C)OCc1cccc([N-]S(=O)(=O)c2cncc(C#N)c2)c1 ZINC000901957515 1317501215 /nfs/dbraw/zinc/50/12/15/1317501215.db2.gz UBOUQCYESUMARC-UHFFFAOYSA-N -1 0 345.424 3.069 20 30 EGEDRM Cn1cnc2cc(/C=C3/C[C@@H](C(=O)[O-])c4ccccc4C3=O)ccc21 ZINC000806560834 1317501294 /nfs/dbraw/zinc/50/12/94/1317501294.db2.gz PCFFYMCOTWXCCS-LPDYGMJQSA-N -1 0 332.359 3.412 20 30 EGEDRM Cc1c(C(=O)/C=C/c2ccc(O)c(C(=O)[O-])c2)cnn1-c1ccccc1 ZINC000809155049 1317776122 /nfs/dbraw/zinc/77/61/22/1317776122.db2.gz NGGLVNPEWSPCET-CSKARUKUSA-N -1 0 348.358 3.481 20 30 EGEDRM COc1ncc(C(=O)/C=C\c2ccc(O)c(C(=O)[O-])c2)cc1Cl ZINC000809155959 1317776136 /nfs/dbraw/zinc/77/61/36/1317776136.db2.gz AJMWZBRYQAIOEI-RQOWECAXSA-N -1 0 333.727 3.044 20 30 EGEDRM Cc1c(C(=O)/C=C/c2ccc(O)c(C(=O)[O-])c2)cnn1C(C)(C)C ZINC000809156769 1317776920 /nfs/dbraw/zinc/77/69/20/1317776920.db2.gz JXGIHZBYOJDPAX-SOFGYWHQSA-N -1 0 328.368 3.246 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2oc3ccc(F)cc3c2C)CC1 ZINC000810979868 1318085759 /nfs/dbraw/zinc/08/57/59/1318085759.db2.gz LFNLILDMURZTPL-UHFFFAOYSA-N -1 0 337.372 3.049 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)Cc2ccc(CCCC)cc2)CC1 ZINC000810988874 1318088052 /nfs/dbraw/zinc/08/80/52/1318088052.db2.gz RVZLHQNAJQBJDK-UHFFFAOYSA-N -1 0 335.469 3.126 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2coc3ccc(CC)cc23)CC1 ZINC000810988252 1318088063 /nfs/dbraw/zinc/08/80/63/1318088063.db2.gz DZYORELEWBXPBQ-UHFFFAOYSA-N -1 0 333.409 3.164 20 30 EGEDRM C=C(C)[C@@H]1OCC[C@@H]1C(=O)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000907091285 1318183729 /nfs/dbraw/zinc/18/37/29/1318183729.db2.gz QDTKHAIXYVUEFM-KBPBESRZSA-N -1 0 329.318 3.234 20 30 EGEDRM COc1ccc(C(=O)/C=C\c2ccc(OCCC(=O)[O-])cc2)cc1O ZINC000811699656 1318230416 /nfs/dbraw/zinc/23/04/16/1318230416.db2.gz XPINNVNIQJULHN-YWEYNIOJSA-N -1 0 342.347 3.150 20 30 EGEDRM C=C[C@@H](CC)CC(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1 ZINC000907841813 1318272528 /nfs/dbraw/zinc/27/25/28/1318272528.db2.gz LUNFVURYJCDIBW-AWEZNQCLSA-N -1 0 330.428 3.390 20 30 EGEDRM C=CCC[C@H](NC(=O)NC[C@H]1CCC[C@H](C(F)(F)F)C1)C(=O)[O-] ZINC000909004978 1318425789 /nfs/dbraw/zinc/42/57/89/1318425789.db2.gz RDKLQSCZWKWTMQ-SRVKXCTJSA-N -1 0 336.354 3.074 20 30 EGEDRM COC[C@H](C)[C@H](C)C(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21 ZINC000813058469 1318492597 /nfs/dbraw/zinc/49/25/97/1318492597.db2.gz YGOXUOOTLOWSPI-SLEUVZQESA-N -1 0 326.396 3.287 20 30 EGEDRM N#CC(=C([O-])c1occ2c1CCOC2)c1cc(C(F)(F)F)ccn1 ZINC000813217244 1318515769 /nfs/dbraw/zinc/51/57/69/1318515769.db2.gz FAOLSJAGWVFROA-LBPRGKRZSA-N -1 0 336.269 3.256 20 30 EGEDRM C=CCC[C@@H](NC(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000909714453 1318518181 /nfs/dbraw/zinc/51/81/81/1318518181.db2.gz XBMHNJLJWBOBSJ-GXFFZTMASA-N -1 0 329.318 3.345 20 30 EGEDRM CC(=NNc1ccc(C(=O)[O-])cc1)c1nnn(-c2ccc(C)cc2)c1C ZINC000814680735 1318799225 /nfs/dbraw/zinc/79/92/25/1318799225.db2.gz GHSYSGWNIMWHNO-UHFFFAOYSA-N -1 0 349.394 3.418 20 30 EGEDRM C[C@H]1C[C@@H](C(=O)[O-])CCC1N=Nc1ncnc2sc3c(c21)CCC3 ZINC000814726674 1318806004 /nfs/dbraw/zinc/80/60/04/1318806004.db2.gz ZZAJJJWQXDNVEL-UWVGGRQHSA-N -1 0 344.440 3.469 20 30 EGEDRM CC(CC1(C(=O)[O-])CCC1)=NNC(=S)N[C@@H]1CCCC[C@@H]1C ZINC000814731205 1318807317 /nfs/dbraw/zinc/80/73/17/1318807317.db2.gz YFCMHWDCEBJAOP-WCQYABFASA-N -1 0 325.478 3.050 20 30 EGEDRM CCCCCNC(=S)NN=Cc1cccc(C(=O)[O-])c1Cl ZINC000814763689 1318812083 /nfs/dbraw/zinc/81/20/83/1318812083.db2.gz IXTROVPBTANHBR-UHFFFAOYSA-N -1 0 327.837 3.026 20 30 EGEDRM O=C([O-])c1ccc2c(c1)CCCC2N=Nc1cnc2ccccc2n1 ZINC000814830973 1318826821 /nfs/dbraw/zinc/82/68/21/1318826821.db2.gz WKUBRQAUOXUFHA-UHFFFAOYSA-N -1 0 332.363 3.481 20 30 EGEDRM COCCC(C)N=Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000814829581 1318827250 /nfs/dbraw/zinc/82/72/50/1318827250.db2.gz APZDKWRWOXTXQR-UHFFFAOYSA-N -1 0 347.440 3.312 20 30 EGEDRM CC(=NNc1nc(=O)c2ccccc2[nH]1)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C ZINC000814868734 1318834519 /nfs/dbraw/zinc/83/45/19/1318834519.db2.gz GYFFSNOZCKPXDX-YPMHNXCESA-N -1 0 342.399 3.260 20 30 EGEDRM CC(=NNc1ccncc1Cl)c1cccc(OCCCC(=O)[O-])c1 ZINC000814869960 1318835329 /nfs/dbraw/zinc/83/53/29/1318835329.db2.gz GYHRJZYDHSBNTL-UHFFFAOYSA-N -1 0 347.802 3.237 20 30 EGEDRM COc1ccc(NN=C(C)c2csc(C(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000814880379 1318837204 /nfs/dbraw/zinc/83/72/04/1318837204.db2.gz BXUBEHFLWBUSRU-UHFFFAOYSA-N -1 0 335.341 3.199 20 30 EGEDRM CC(N=Nc1ccc2c(cc[nH]c2=O)c1)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C ZINC000814924536 1318850038 /nfs/dbraw/zinc/85/00/38/1318850038.db2.gz QRUWYMLBZMUYRY-CJNGLKHVSA-N -1 0 341.411 3.453 20 30 EGEDRM O=C([O-])C1(c2cccc(Cl)c2)CC(N=Nc2ncccc2F)C1 ZINC000814927453 1318851782 /nfs/dbraw/zinc/85/17/82/1318851782.db2.gz PDQNTPTYJJEBRE-UHFFFAOYSA-N -1 0 333.750 3.458 20 30 EGEDRM CC[C@@H](NN=C(C)c1sc(-c2ccc(F)cc2)nc1C)C(=O)[O-] ZINC000814936598 1318854889 /nfs/dbraw/zinc/85/48/89/1318854889.db2.gz BBXOHLLXYOAHCM-CYBMUJFWSA-N -1 0 335.404 3.434 20 30 EGEDRM O=C1Nc2ccc(F)cc2C1=N[N-]c1nnc(-c2ccccc2)s1 ZINC000814946998 1318856700 /nfs/dbraw/zinc/85/67/00/1318856700.db2.gz XJPPGTGAUZDEBO-UHFFFAOYSA-N -1 0 339.355 3.113 20 30 EGEDRM O=C([O-])COc1ccc(Br)cc1C=NNc1ccccc1 ZINC000915933485 1319565791 /nfs/dbraw/zinc/56/57/91/1319565791.db2.gz XXTYABFYMIDCNV-UHFFFAOYSA-N -1 0 349.184 3.359 20 30 EGEDRM Cc1cc(O)cc2c1C(=O)C(=N[N-]c1nccc3sccc31)O2 ZINC000915980213 1319577696 /nfs/dbraw/zinc/57/76/96/1319577696.db2.gz QGVOWRQAIHSZLC-UHFFFAOYSA-N -1 0 325.349 3.311 20 30 EGEDRM CC(=NNc1nnc(C)c(=O)[n-]1)c1ccc(OCc2ccccc2)cc1 ZINC000916284155 1319632433 /nfs/dbraw/zinc/63/24/33/1319632433.db2.gz NRJQHSIHZCZOLX-UHFFFAOYSA-N -1 0 349.394 3.301 20 30 EGEDRM CC(C)(C)n1cc(C(=O)C([O-])=C(C#N)c2ccc3ccccc3n2)cn1 ZINC000916848427 1319713537 /nfs/dbraw/zinc/71/35/37/1319713537.db2.gz FWRRJFYOWAJPKA-OAHLLOKOSA-N -1 0 346.390 3.245 20 30 EGEDRM CC(C)COc1ccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)cc1 ZINC000916892902 1319720428 /nfs/dbraw/zinc/72/04/28/1319720428.db2.gz OXSZMJIGRZVIDE-SFHVURJKSA-N -1 0 342.439 3.493 20 30 EGEDRM C=CCNC(=O)C(C#N)=C([O-])c1cccc(OCc2cccc(C)c2)c1 ZINC000916918730 1319724791 /nfs/dbraw/zinc/72/47/91/1319724791.db2.gz VZVXCNXJXRLETJ-IBGZPJMESA-N -1 0 348.402 3.199 20 30 EGEDRM O=C(/C=C/c1cc(F)c([O-])c(F)c1)c1cnnn1-c1ccccc1 ZINC000821007837 1319992200 /nfs/dbraw/zinc/99/22/00/1319992200.db2.gz LITYJGPVJPEESN-VOTSOKGWSA-N -1 0 327.290 3.147 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)C2=CCC(C)(C)CC2)n1 ZINC000838343052 1320762946 /nfs/dbraw/zinc/76/29/46/1320762946.db2.gz FZWQMKPOIWQNRI-CYBMUJFWSA-N -1 0 332.425 3.308 20 30 EGEDRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)OCCC1(C#N)CCCCC1 ZINC000840528399 1321104333 /nfs/dbraw/zinc/10/43/33/1321104333.db2.gz NWXVQUWLSOUPKL-LBPRGKRZSA-N -1 0 348.365 3.097 20 30 EGEDRM CC[C@H](CSc1nc(-c2ccc(OC)cc2)c(C#N)c(=O)[n-]1)OC ZINC000841670710 1321294654 /nfs/dbraw/zinc/29/46/54/1321294654.db2.gz ZTFYWAVEEBDRJV-GFCCVEGCSA-N -1 0 345.424 3.247 20 30 EGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CCc1ccnc(C)n1 ZINC000842681337 1321417866 /nfs/dbraw/zinc/41/78/66/1321417866.db2.gz BIUJWZZVJLDAGC-INIZCTEOSA-N -1 0 346.390 3.099 20 30 EGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)C[C@@H](C)n1ccnc1 ZINC000845437417 1321707534 /nfs/dbraw/zinc/70/75/34/1321707534.db2.gz ILKMVMPJJRRZRJ-IUODEOHRSA-N -1 0 334.379 3.216 20 30 EGEDRM C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cccc(COC(C)(C)CC)c1C ZINC000846154227 1321772624 /nfs/dbraw/zinc/77/26/24/1321772624.db2.gz LUGYUHDSVLKDFM-ZDUSSCGKSA-N -1 0 348.443 3.261 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])C(C)=Cc2ccco2)n1 ZINC000847633813 1321885980 /nfs/dbraw/zinc/88/59/80/1321885980.db2.gz OVBHJICHZGVBEK-MQGYJPLLSA-N -1 0 330.365 3.193 20 30 EGEDRM C#CCCCC(=O)O[C@@H]1C[C@H]([N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000851176757 1322345024 /nfs/dbraw/zinc/34/50/24/1322345024.db2.gz CHZCHUFVGIUUMY-UONOGXRCSA-N -1 0 339.313 3.198 20 30 EGEDRM C[C@@H]1CCN(c2ccc(Cl)cc2C#N)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000853988613 1325198608 /nfs/dbraw/zinc/19/86/08/1325198608.db2.gz CPYWXJCOQSHAKG-SKDRFNHKSA-N -1 0 345.752 3.105 20 30 EGEDRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CCC[C@H](C#N)C3)n2)c1 ZINC000928216448 1328240494 /nfs/dbraw/zinc/24/04/94/1328240494.db2.gz DSVZEXFSRHOZBC-CQSZACIVSA-N -1 0 338.411 3.077 20 30 EGEDRM C=CCC[C@@H](NC(=O)/C=C\c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000864142312 1329601528 /nfs/dbraw/zinc/60/15/28/1329601528.db2.gz GBISQRKIYANMPL-ASCRHOAZSA-N -1 0 327.302 3.254 20 30 EGEDRM CC(C)c1ccc([N-]S(=O)(=O)c2ccc3n[nH]cc3c2)c(C#N)c1 ZINC001185990039 1387842619 /nfs/dbraw/zinc/84/26/19/1387842619.db2.gz JVVRNMBICSNWRG-UHFFFAOYSA-N -1 0 340.408 3.359 20 30 EGEDRM Cc1csc([N-]S(=O)(=O)c2cc(F)cc(F)c2F)c1C#N ZINC001190347950 1367234990 /nfs/dbraw/zinc/23/49/90/1367234990.db2.gz IYVRGRVYBTUZMX-UHFFFAOYSA-N -1 0 332.328 3.146 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cccc(C3CCC3)n2)c1 ZINC001190619499 1367309876 /nfs/dbraw/zinc/30/98/76/1367309876.db2.gz OXKRUQOAISCNLB-UHFFFAOYSA-N -1 0 331.372 3.161 20 30 EGEDRM Cc1ccc2cccnc2c1[N-]S(=O)(=O)c1cc(C#N)ccc1F ZINC001190647841 1367315377 /nfs/dbraw/zinc/31/53/77/1367315377.db2.gz KTFCLYIRKVHCQM-UHFFFAOYSA-N -1 0 341.367 3.355 20 30 EGEDRM Cc1ccnc2c([N-]S(=O)(=O)c3cc(C#N)ccc3F)cccc12 ZINC001190651310 1367316400 /nfs/dbraw/zinc/31/64/00/1367316400.db2.gz ZZTHHHCKXNIOMV-UHFFFAOYSA-N -1 0 341.367 3.355 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]c2cc(Br)ccc2C#N)CC1 ZINC001190805454 1367354527 /nfs/dbraw/zinc/35/45/27/1367354527.db2.gz LWQLMZCCVHFCMX-UHFFFAOYSA-N -1 0 341.230 3.171 20 30 EGEDRM Cc1csc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1C#N ZINC001190932238 1367384150 /nfs/dbraw/zinc/38/41/50/1367384150.db2.gz ADATUHXWMWFRTR-UHFFFAOYSA-N -1 0 337.813 3.254 20 30 EGEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C(F)F)nc2)c1 ZINC001190939166 1367386352 /nfs/dbraw/zinc/38/63/52/1367386352.db2.gz RKESSCRFQVFXGK-UHFFFAOYSA-N -1 0 343.742 3.345 20 30 EGEDRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1oc(C)c(C)c1C#N ZINC001191787710 1367587318 /nfs/dbraw/zinc/58/73/18/1367587318.db2.gz PZMBHSAKKFBALD-UHFFFAOYSA-N -1 0 334.397 3.276 20 30 EGEDRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1cc(F)ccc1C#N ZINC001191821994 1367602323 /nfs/dbraw/zinc/60/23/23/1367602323.db2.gz SLPXIDFKGWQLCM-UHFFFAOYSA-N -1 0 334.372 3.205 20 30 EGEDRM N#Cc1nc2ccc(NC(=O)c3ccc(F)c(F)c3[O-])cc2s1 ZINC001192810807 1367880327 /nfs/dbraw/zinc/88/03/27/1367880327.db2.gz MKPWWEQGYRIGBI-UHFFFAOYSA-N -1 0 331.303 3.404 20 30 EGEDRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(F)cc2C#N)c1 ZINC001192820942 1367882001 /nfs/dbraw/zinc/88/20/01/1367882001.db2.gz HCNDOWPCTRVPBD-UHFFFAOYSA-N -1 0 334.372 3.069 20 30 EGEDRM CCN(C(=O)c1ccc([O-])c(C#N)c1)[C@H](C)Cc1ccc(OC)cc1 ZINC001193493937 1368044734 /nfs/dbraw/zinc/04/47/34/1368044734.db2.gz HHTSSVJKDZVHGW-CQSZACIVSA-N -1 0 338.407 3.366 20 30 EGEDRM CC1(C)CC(=O)Nc2c(NC(=O)c3cccc(C#N)c3[O-])cccc21 ZINC001193652286 1368085524 /nfs/dbraw/zinc/08/55/24/1368085524.db2.gz BWEFNTRSSOUGJS-UHFFFAOYSA-N -1 0 335.363 3.136 20 30 EGEDRM Cc1cc(C#N)ccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC001194260817 1368218576 /nfs/dbraw/zinc/21/85/76/1368218576.db2.gz MTKMZIXPTJWBQZ-UHFFFAOYSA-N -1 0 341.314 3.081 20 30 EGEDRM COC(=O)c1scc(C#N)c1[N-]C(=O)c1ccc(C(F)(F)F)o1 ZINC001194405196 1368253849 /nfs/dbraw/zinc/25/38/49/1368253849.db2.gz NATLTEMKFGRJMB-UHFFFAOYSA-N -1 0 344.270 3.270 20 30 EGEDRM N#Cc1cc(Cl)cc(Cl)c1[N-]S(=O)(=O)C1CCC(=O)CC1 ZINC001194794784 1368325159 /nfs/dbraw/zinc/32/51/59/1368325159.db2.gz SFRBHGWNBREVCL-UHFFFAOYSA-N -1 0 347.223 3.118 20 30 EGEDRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1nc(Cl)ccc1C#N ZINC001195276432 1368413264 /nfs/dbraw/zinc/41/32/64/1368413264.db2.gz GOEOXLBFGXKPOD-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM N#Cc1ccc(C(=O)N2CCOC[C@@H]2c2ccc(Cl)cc2)c([O-])c1 ZINC001195749884 1368482092 /nfs/dbraw/zinc/48/20/92/1368482092.db2.gz BXBBOUCYMQFBKG-MRXNPFEDSA-N -1 0 342.782 3.131 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2ccc(C#N)cc2OC(F)(F)F)c([O-])c1 ZINC001195750207 1368482103 /nfs/dbraw/zinc/48/21/03/1368482103.db2.gz FMVSPAYTEKKXDG-UHFFFAOYSA-N -1 0 347.252 3.286 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2ccc(OCC(F)(F)F)cc2)c([O-])c1 ZINC001195759210 1368483530 /nfs/dbraw/zinc/48/35/30/1368483530.db2.gz ZKNYFXGFSIBKSV-UHFFFAOYSA-N -1 0 336.269 3.457 20 30 EGEDRM CCc1cc(C#N)ccc1[N-]S(=O)(=O)c1cc(Cl)ccc1C#N ZINC001196679881 1368660808 /nfs/dbraw/zinc/66/08/08/1368660808.db2.gz PLDJQTQDHUKFFE-UHFFFAOYSA-N -1 0 345.811 3.447 20 30 EGEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(F)c(F)c(F)c1 ZINC001196680024 1368661116 /nfs/dbraw/zinc/66/11/16/1368661116.db2.gz UBKKRSXCZRDSDD-UHFFFAOYSA-N -1 0 346.717 3.430 20 30 EGEDRM CCN(C)c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)cc1 ZINC001196690874 1368664833 /nfs/dbraw/zinc/66/48/33/1368664833.db2.gz UZINESGILIYACI-UHFFFAOYSA-N -1 0 349.843 3.469 20 30 EGEDRM CCCCCCCC(=O)c1ccc([O-])c(C(=O)Nc2cnn(C)n2)c1 ZINC001197365002 1368799744 /nfs/dbraw/zinc/79/97/44/1368799744.db2.gz HFYXGBVJWBYOJB-UHFFFAOYSA-N -1 0 344.415 3.316 20 30 EGEDRM N#Cc1c(Cl)cccc1[N-]S(=O)(=O)c1cccc(Cl)n1 ZINC001198235261 1368985946 /nfs/dbraw/zinc/98/59/46/1368985946.db2.gz XCQWDUXXZUWULF-UHFFFAOYSA-N -1 0 328.180 3.061 20 30 EGEDRM C#Cc1nccnc1[N-]S(=O)(=O)c1ccc(Cl)c2ccccc21 ZINC001200040388 1369305685 /nfs/dbraw/zinc/30/56/85/1369305685.db2.gz ZUYKICGDGNOJGU-UHFFFAOYSA-N -1 0 343.795 3.065 20 30 EGEDRM N#Cc1cnoc1[N-]S(=O)(=O)c1ccc(Cl)c2ccccc21 ZINC001200039596 1369306327 /nfs/dbraw/zinc/30/63/27/1369306327.db2.gz RIDAIKBCYGOJCG-UHFFFAOYSA-N -1 0 333.756 3.154 20 30 EGEDRM Cc1cccc(S(=O)(=O)[N-]c2onc(C(C)(C)C)c2C#N)c1F ZINC001200675611 1369411421 /nfs/dbraw/zinc/41/14/21/1369411421.db2.gz DSJWNZWRGPZEOB-UHFFFAOYSA-N -1 0 337.376 3.092 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2cncc(C3CCC3)c2)cc1C#N ZINC001201295673 1369512739 /nfs/dbraw/zinc/51/27/39/1369512739.db2.gz YECNFGAFNNBXNH-UHFFFAOYSA-N -1 0 327.409 3.330 20 30 EGEDRM Cc1cc(C)c(NC(=O)Nc2cccc(C#N)c2)c(S(=O)(=O)[O-])c1 ZINC001202788299 1369892208 /nfs/dbraw/zinc/89/22/08/1369892208.db2.gz VWJWZQVFYXLCAV-UHFFFAOYSA-N -1 0 345.380 3.066 20 30 EGEDRM COc1ccc(C#N)c([N-]S(=O)(=O)c2cc3c(s2)CCCC3)c1 ZINC001187210635 1388073147 /nfs/dbraw/zinc/07/31/47/1388073147.db2.gz WOQDRVOGHTWBHQ-UHFFFAOYSA-N -1 0 348.449 3.308 20 30 EGEDRM N#Cc1ccccc1CN1CC[C@@H](OCc2ccc(C(=O)[O-])cc2)C1 ZINC001205680743 1370841937 /nfs/dbraw/zinc/84/19/37/1370841937.db2.gz KGGLHGUAZPORLJ-LJQANCHMSA-N -1 0 336.391 3.048 20 30 EGEDRM O=S1(=O)N/C(=N/[C@@H]2C[C@H]2c2cccc3ccccc32)c2ccccc21 ZINC001116884545 1370994725 /nfs/dbraw/zinc/99/47/25/1370994725.db2.gz QHAZEAJOSSZTOU-ZWKOTPCHSA-N -1 0 348.427 3.434 20 30 EGEDRM C=CC[C@@H](NC(=O)Nc1ccc(COC2CCCC2)cc1)C(=O)[O-] ZINC001116888009 1370995573 /nfs/dbraw/zinc/99/55/73/1370995573.db2.gz QFQLPPIFZNNHHM-MRXNPFEDSA-N -1 0 332.400 3.297 20 30 EGEDRM C=C1CCC(C(=O)[N-]S(=O)(=O)[C@H]2CCCc3ccccc32)CC1 ZINC001119492414 1371354873 /nfs/dbraw/zinc/35/48/73/1371354873.db2.gz UGENKMYVSXJHLQ-KRWDZBQOSA-N -1 0 333.453 3.256 20 30 EGEDRM C[C@H](CC#N)N(C)c1nnc(-c2cc(Cl)c([O-])c(Cl)c2)n1C ZINC001121365617 1371951245 /nfs/dbraw/zinc/95/12/45/1371951245.db2.gz IDLYOCZZNJCBMU-MRVPVSSYSA-N -1 0 340.214 3.233 20 30 EGEDRM N#CC(=C([O-])c1cncc(OCC(F)F)c1)c1nc2ccccc2o1 ZINC001122413313 1372244262 /nfs/dbraw/zinc/24/42/62/1372244262.db2.gz LBLRPPGBOLXHSQ-LBPRGKRZSA-N -1 0 343.289 3.357 20 30 EGEDRM CC(=O)Nc1ccc(Nc2cc(C(=O)[O-])cc(F)c2C)cc1C#N ZINC001210007807 1372254639 /nfs/dbraw/zinc/25/46/39/1372254639.db2.gz QUAHXDLVPJKRLN-UHFFFAOYSA-N -1 0 327.315 3.406 20 30 EGEDRM CC(C)c1ncc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)s1 ZINC001122499698 1372260655 /nfs/dbraw/zinc/26/06/55/1372260655.db2.gz JVQJCBRLMFDBPD-LLVKDONJSA-N -1 0 337.408 3.282 20 30 EGEDRM CC(C)n1ncc(C([O-])=C(C#N)c2nccn2C)c1-c1ccccc1 ZINC001122607203 1372282982 /nfs/dbraw/zinc/28/29/82/1372282982.db2.gz WHNHFZWJDOMXGJ-OAHLLOKOSA-N -1 0 333.395 3.355 20 30 EGEDRM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3csc(-c4ccco4)n3)nc1-2 ZINC001122712426 1372304320 /nfs/dbraw/zinc/30/43/20/1372304320.db2.gz AHYTTZIEJXKBFJ-SNVBAGLBSA-N -1 0 349.375 3.473 20 30 EGEDRM N#Cc1cnn(-c2ncccn2)c1Nc1cc(Cl)c([O-])c(Cl)c1 ZINC001210924979 1372454024 /nfs/dbraw/zinc/45/40/24/1372454024.db2.gz ZRFLVSWCKLRUAZ-UHFFFAOYSA-N -1 0 347.165 3.290 20 30 EGEDRM CCCCCCCCS(=O)(=O)[N-]c1cn2nc(Cl)ccc2n1 ZINC001187994133 1388207611 /nfs/dbraw/zinc/20/76/11/1388207611.db2.gz GALXZRVWCBSWII-UHFFFAOYSA-N -1 0 344.868 3.485 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)NC[C@H]2CCCC[C@@H]2c2ccccc2)o1 ZINC001211866242 1372624390 /nfs/dbraw/zinc/62/43/90/1372624390.db2.gz YWHQFZOVNQTGPV-NVXWUHKLSA-N -1 0 344.436 3.404 20 30 EGEDRM Cc1cc(C#N)ccc1[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC001188034935 1388223772 /nfs/dbraw/zinc/22/37/72/1388223772.db2.gz YIAFNNPMHWOUAS-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM N#Cc1cc(Nc2ccc(NC(=O)CCC(=O)[O-])cc2)cc(F)c1F ZINC001213194081 1372856885 /nfs/dbraw/zinc/85/68/85/1372856885.db2.gz FAAJNSYXBDUTKA-UHFFFAOYSA-N -1 0 345.305 3.383 20 30 EGEDRM N#Cc1ccc(F)c(Nc2ccc(S(=O)(=O)[O-])cc2Cl)c1 ZINC001214601449 1373088066 /nfs/dbraw/zinc/08/80/66/1373088066.db2.gz MDXDOMUKHHJZDO-UHFFFAOYSA-N -1 0 326.736 3.341 20 30 EGEDRM C[C@@H](Oc1[n-]c(=O)c(F)cc1C#N)c1ccc(Br)nc1 ZINC001226008015 1375189726 /nfs/dbraw/zinc/18/97/26/1375189726.db2.gz CPZYCSKTXWRDJR-SSDOTTSWSA-N -1 0 338.136 3.095 20 30 EGEDRM Cc1ccc(N2CCC(Oc3[n-]c(=O)c(F)cc3C#N)CC2)cc1 ZINC001226012585 1375190926 /nfs/dbraw/zinc/19/09/26/1375190926.db2.gz BPUBJRNNPUPAIK-UHFFFAOYSA-N -1 0 327.359 3.154 20 30 EGEDRM C#C[C@@H](Oc1ccc(O)cc1S(=O)(=O)[O-])[C@@H](CC)CCCC ZINC001226411920 1375255611 /nfs/dbraw/zinc/25/56/11/1375255611.db2.gz AIUSLMCDGJZPLH-GXTWGEPZSA-N -1 0 326.414 3.236 20 30 EGEDRM CCC[C@H](C#Cc1ccccc1)Oc1ccc(O)cc1S(=O)(=O)[O-] ZINC001226417399 1375256066 /nfs/dbraw/zinc/25/60/66/1375256066.db2.gz STRDOLIBSBGEJW-MRXNPFEDSA-N -1 0 346.404 3.238 20 30 EGEDRM C=CCC[C@@H](CC)Oc1c([O-])c(C(=O)OC)sc1C(=O)OC ZINC001227621893 1375455648 /nfs/dbraw/zinc/45/56/48/1375455648.db2.gz IWCRPJLWHALEKM-SECBINFHSA-N -1 0 328.386 3.151 20 30 EGEDRM CC#CC[C@@H](CC)Oc1cc2cc(S(=O)(=O)[O-])ccc2cc1O ZINC001227639541 1375458067 /nfs/dbraw/zinc/45/80/67/1375458067.db2.gz IQRSONIVHANAGT-CQSZACIVSA-N -1 0 334.393 3.363 20 30 EGEDRM N#Cc1ccc(=O)[n-]c1O[C@@H]1CCOc2ccc(Br)cc21 ZINC001228898746 1375709259 /nfs/dbraw/zinc/70/92/59/1375709259.db2.gz LCFZNYKLLIJVFZ-CYBMUJFWSA-N -1 0 347.168 3.324 20 30 EGEDRM O=c1[n-]c(=O)c(F)c(O[C@@H](C#Cc2ccccc2)c2ccccc2)[nH]1 ZINC001229126603 1375770204 /nfs/dbraw/zinc/77/02/04/1375770204.db2.gz YSJHTFYBEHQOPN-HNNXBMFYSA-N -1 0 336.322 3.199 20 30 EGEDRM C=C[C@H](CC(=O)OC(C)(C)C)Oc1[n-]c(=O)nc2cc(OC)ccc21 ZINC001229137159 1375772434 /nfs/dbraw/zinc/77/24/34/1375772434.db2.gz HFJDGHLZHXGRRT-LLVKDONJSA-N -1 0 346.383 3.009 20 30 EGEDRM N#CCC(=O)Nc1nc2ccccc2nc1-c1cc(F)cc(F)c1[O-] ZINC001243502516 1377031927 /nfs/dbraw/zinc/03/19/27/1377031927.db2.gz YXEIZGOBQNEBQQ-UHFFFAOYSA-N -1 0 340.289 3.133 20 30 EGEDRM C=C[C@@H]1C[C@]1(NC(=S)[N-]c1ccccc1SC)C(=O)OCC ZINC001249713873 1377078063 /nfs/dbraw/zinc/07/80/63/1377078063.db2.gz ZZFFSEWOQSAORT-BDJLRTHQSA-N -1 0 336.482 3.203 20 30 EGEDRM Cc1cc(CC(C)C)ncc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC001258053849 1377115659 /nfs/dbraw/zinc/11/56/59/1377115659.db2.gz QWWWLFSRQRGSCR-UHFFFAOYSA-N -1 0 329.425 3.261 20 30 EGEDRM N#C[C@@H]1C[C@H](F)CN1Cc1cc(Cl)cc(Br)c1[O-] ZINC001141374180 1378312819 /nfs/dbraw/zinc/31/28/19/1378312819.db2.gz ATAJUCLLYMQREL-UWVGGRQHSA-N -1 0 333.588 3.244 20 30 EGEDRM N#Cc1ccc(NC(=O)CCc2cnccc2C(F)(F)F)c(O)c1 ZINC001142337827 1378433927 /nfs/dbraw/zinc/43/39/27/1378433927.db2.gz BSGJUGQTQYSLGR-UHFFFAOYSA-N -1 0 335.285 3.249 20 30 EGEDRM CNc1ccc(C#N)cc1NC(=O)c1cc2cccc(O)c2cc1[O-] ZINC001149652170 1379421578 /nfs/dbraw/zinc/42/15/78/1379421578.db2.gz ZPMWRJXUBUMJPC-UHFFFAOYSA-N -1 0 333.347 3.417 20 30 EGEDRM N#Cc1ccc(NC(=O)c2cc(=O)c3cc(Cl)ccc3[n-]2)c(O)c1 ZINC001153905829 1380153508 /nfs/dbraw/zinc/15/35/08/1380153508.db2.gz JVEZMTOMNXKCBV-UHFFFAOYSA-N -1 0 339.738 3.011 20 30 EGEDRM N#Cc1cc(NC(=O)c2cc(=O)c3cc(Cl)ccc3[n-]2)ccc1O ZINC001153906514 1380153638 /nfs/dbraw/zinc/15/36/38/1380153638.db2.gz YWTVNXZWIHMDIJ-UHFFFAOYSA-N -1 0 339.738 3.011 20 30 EGEDRM COc1ccc2c(c1)[n-]c(C(=O)Nc1sc(C)cc1C#N)cc2=O ZINC001154110494 1380211204 /nfs/dbraw/zinc/21/12/04/1380211204.db2.gz GWTBDUZGNPRPIO-UHFFFAOYSA-N -1 0 339.376 3.031 20 30 EGEDRM N#Cc1ccc2[n-]c(C(=O)Nc3nc4ccccc4s3)cc(=O)c2c1 ZINC001154552608 1380304952 /nfs/dbraw/zinc/30/49/52/1380304952.db2.gz YJPGNTBGNOPEDD-UHFFFAOYSA-N -1 0 346.371 3.262 20 30 EGEDRM N#CN=C(Nc1cc(C=N[O-])cc(C(F)(F)F)c1)c1ccncc1 ZINC001164513888 1383195030 /nfs/dbraw/zinc/19/50/30/1383195030.db2.gz HNRGOMAWFUCNIM-GZIVZEMBSA-N -1 0 333.273 3.057 20 30 EGEDRM CSc1nc(Cl)c(/C=N/[O-])c(N(CC#N)Cc2ccccc2)n1 ZINC001166992880 1383511277 /nfs/dbraw/zinc/51/12/77/1383511277.db2.gz YCMXKDNSPWKUBF-GIJQJNRQSA-N -1 0 347.831 3.190 20 30 EGEDRM CC(C)(C)n1cc(C#N)cc1Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001174502870 1385114529 /nfs/dbraw/zinc/11/45/29/1385114529.db2.gz LGWZFYDUAQVCAY-UHFFFAOYSA-N -1 0 328.328 3.465 20 30 EGEDRM CCOc1ccc(F)c([N-]c2nc(C#N)c(C#N)nc2Cl)c1F ZINC001175039118 1385185112 /nfs/dbraw/zinc/18/51/12/1385185112.db2.gz LUELYUZHUPSJKQ-UHFFFAOYSA-N -1 0 335.701 3.294 20 30 EGEDRM C=CCn1cc(Nc2ccc3ccc(S(=O)(=O)[O-])cc3c2)cn1 ZINC001176548722 1385621707 /nfs/dbraw/zinc/62/17/07/1385621707.db2.gz OXIQYZAMYFMICH-UHFFFAOYSA-N -1 0 329.381 3.213 20 30 EGEDRM CCCCOc1ccc([N-]S(=O)(=O)c2ccc(CC#N)cc2)cn1 ZINC001320527298 1386638113 /nfs/dbraw/zinc/63/81/13/1386638113.db2.gz RNXMAYCGCKJRSP-UHFFFAOYSA-N -1 0 345.424 3.127 20 30 EGEDRM C=CC[C@@H](NC(=O)Nc1cccc(Oc2ccccn2)c1)C(=O)[O-] ZINC001321151675 1386823715 /nfs/dbraw/zinc/82/37/15/1386823715.db2.gz XIXDYVUTWSMRGZ-CQSZACIVSA-N -1 0 327.340 3.025 20 30 EGEDRM CCCN(Cc1nc(=O)c2sccc2[n-]1)C(=O)NCCCCC#N ZINC001321563876 1386930690 /nfs/dbraw/zinc/93/06/90/1386930690.db2.gz OYOKTDLNUUQEMS-UHFFFAOYSA-N -1 0 347.444 3.012 20 30 EGEDRM COc1ccc2c(c1)CC[C@H]2C(=O)Nc1cc(C#N)c(F)cc1[O-] ZINC001182448395 1387168541 /nfs/dbraw/zinc/16/85/41/1387168541.db2.gz HDXDCWSZWYIDMH-CQSZACIVSA-N -1 0 326.327 3.080 20 30 EGEDRM C=CCC1(C(=O)[N-]S(=O)(=O)c2ccccc2NCC)CCCC1 ZINC001331494602 1389770466 /nfs/dbraw/zinc/77/04/66/1389770466.db2.gz ZYXQJJDRWJZGFM-UHFFFAOYSA-N -1 0 336.457 3.060 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)Nc1ccc(SC(F)(F)F)cc1 ZINC001339753778 1390130034 /nfs/dbraw/zinc/13/00/34/1390130034.db2.gz IOBACGUASADTSZ-UHFFFAOYSA-N -1 0 334.319 3.403 20 30 EGEDRM C=CCn1c(-c2cnc(C3CC3)[nH]c2=O)nnc1N(C)c1ccccc1 ZINC001342040862 1390564837 /nfs/dbraw/zinc/56/48/37/1390564837.db2.gz VYXINNUFOIJTQY-UHFFFAOYSA-N -1 0 348.410 3.272 20 30 EGEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1ccnc2cc(Cl)ccc21 ZINC001342111092 1390572948 /nfs/dbraw/zinc/57/29/48/1390572948.db2.gz KBKYYDAWXHCILQ-HNNXBMFYSA-N -1 0 341.798 3.269 20 30 EGEDRM N#CC(=C([O-])c1cnc(C2CC2)o1)c1nccn1Cc1ccccc1 ZINC001342269334 1390593760 /nfs/dbraw/zinc/59/37/60/1390593760.db2.gz UYTFRLYYIOFZHE-HNNXBMFYSA-N -1 0 332.363 3.287 20 30 EGEDRM N#CC(=C([O-])c1cc2ccccc2o1)c1nc(N)c2ccccc2n1 ZINC001342518671 1390621457 /nfs/dbraw/zinc/62/14/57/1390621457.db2.gz IOXRTQCQQFOGAF-ZDUSSCGKSA-N -1 0 328.331 3.448 20 30 EGEDRM N#CC(=C([O-])C=Cc1cccc(F)c1)c1nc(N)c2ccccc2n1 ZINC001343272836 1390704081 /nfs/dbraw/zinc/70/40/81/1390704081.db2.gz LUNKBFQQVYSPTE-HVHJFMEUSA-N -1 0 332.338 3.241 20 30 EGEDRM N#CC(=C([O-])C=Cc1cccc(F)c1)c1nc(N)c2ccccc2n1 ZINC001343272833 1390704091 /nfs/dbraw/zinc/70/40/91/1390704091.db2.gz LUNKBFQQVYSPTE-CDNLZTBQSA-N -1 0 332.338 3.241 20 30 EGEDRM CC(=NOC(C)(C)C)c1cc(Br)ccc1OCC(=O)[O-] ZINC001343882968 1390742097 /nfs/dbraw/zinc/74/20/97/1390742097.db2.gz WXJXIZPYOWRTGY-UHFFFAOYSA-N -1 0 344.205 3.452 20 30 EGEDRM C=C(C)Cn1c(-c2c[n-]n(CC)c2=O)nnc1N1CCC[C@@H](CC)C1 ZINC001343967305 1390747061 /nfs/dbraw/zinc/74/70/61/1390747061.db2.gz XMBQVHCZMIMBCH-CQSZACIVSA-N -1 0 344.463 3.070 20 30 EGEDRM C#CCCCCCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000823840755 1428222465 /nfs/dbraw/zinc/22/24/65/1428222465.db2.gz DXYKIGAAIJKMKF-UHFFFAOYSA-N -1 0 343.456 3.329 20 30 EGEDRM CCOc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000825649829 1428302532 /nfs/dbraw/zinc/30/25/32/1428302532.db2.gz ZCCNFYKZZGVTCP-SREVYHEPSA-N -1 0 326.381 3.223 20 30 EGEDRM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1cc2c(s1)CCC2 ZINC000822921999 1428783450 /nfs/dbraw/zinc/78/34/50/1428783450.db2.gz BQAIMJGZPXETKF-XQRVVYSFSA-N -1 0 328.422 3.375 20 30 EGEDRM C=CCCC[C@H](C)NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OCC ZINC000823894056 1423653910 /nfs/dbraw/zinc/65/39/10/1423653910.db2.gz GGSOALBXJHAOTK-LBPRGKRZSA-N -1 0 344.419 3.132 20 30 EGEDRM CCCn1c2ccc(C#N)cc2nc1-c1cccc(-c2nn[n-]n2)c1 ZINC000825353565 1423913390 /nfs/dbraw/zinc/91/33/90/1423913390.db2.gz YSCJWWPVWUTTAV-UHFFFAOYSA-N -1 0 329.367 3.165 20 30 EGEDRM N#CCC[C@@H](NC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000826381812 1423921342 /nfs/dbraw/zinc/92/13/42/1423921342.db2.gz ZZZCXQUINKYXJQ-MRXNPFEDSA-N -1 0 347.382 3.033 20 30 EGEDRM FC(F)C(Cc1ccccc1)N=Nc1ccc(-c2nn[n-]n2)cc1 ZINC000826369787 1424859828 /nfs/dbraw/zinc/85/98/28/1424859828.db2.gz QJCHGQWEWCSJKA-UHFFFAOYSA-N -1 0 328.326 3.142 20 30 EGEDRM COc1ccc(CSc2ccc(-c3nn[n-]n3)cc2F)cc1C#N ZINC000826207780 1425041075 /nfs/dbraw/zinc/04/10/75/1425041075.db2.gz CVWNXWFIEDYKRH-UHFFFAOYSA-N -1 0 341.371 3.178 20 30 EGEDRM CC(C)[C@H]1CCCC1N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC000824216362 1426378039 /nfs/dbraw/zinc/37/80/39/1426378039.db2.gz QEVMAWJEUULVTD-SNVBAGLBSA-N -1 0 331.424 3.376 20 30 EGEDRM Fc1cccc(F)c1C=NNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826377188 1427794720 /nfs/dbraw/zinc/79/47/20/1427794720.db2.gz IGKOSYFFIVEONC-UHFFFAOYSA-N -1 0 334.717 3.244 20 30 EGEDRM COc1ccc(C=CC(=O)c2cc(C)sc2C)cc1-c1nn[n-]n1 ZINC000737082739 1441513112 /nfs/dbraw/zinc/51/31/12/1441513112.db2.gz YVSFXLAEHNPZLM-GQCTYLIASA-N -1 0 340.408 3.450 20 30 EGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C=C(CC)CC ZINC000819742844 1441721416 /nfs/dbraw/zinc/72/14/16/1441721416.db2.gz ARLVHVRRZQCULP-UHFFFAOYSA-N -1 0 325.416 3.128 20 30 EGEDRM CC(C)c1nc(-c2nn[n-]n2)c(N=NC[C@H](C)c2ccc(F)cc2)o1 ZINC000824352856 1441758486 /nfs/dbraw/zinc/75/84/86/1441758486.db2.gz PXOOUUIEGLUUKP-JTQLQIEISA-N -1 0 343.366 3.319 20 30 EGEDRM Cc1cc(CN=Nc2oc(CC(C)C)nc2-c2nn[n-]n2)c(C)s1 ZINC000822199100 1441978466 /nfs/dbraw/zinc/97/84/66/1441978466.db2.gz WOAWZJMVIJWWNO-UHFFFAOYSA-N -1 0 345.432 3.178 20 30 EGEDRM C=CCCCCCN(C)C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000735409334 1442324999 /nfs/dbraw/zinc/32/49/99/1442324999.db2.gz ZXSQVFIUGLDHNA-SEYXRHQNSA-N -1 0 325.416 3.085 20 30 EGEDRM Cc1ccc(F)c(CN=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)c1 ZINC000737345004 1442363311 /nfs/dbraw/zinc/36/33/11/1442363311.db2.gz MSRPSOGNKPXJMT-UHFFFAOYSA-N -1 0 343.366 3.046 20 30 EGEDRM N#CCCCOC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826381321 1443107534 /nfs/dbraw/zinc/10/75/34/1443107534.db2.gz HESHUHSQHOWKAN-UHFFFAOYSA-N -1 0 349.350 3.120 20 30 EGEDRM N#Cc1nc(Oc2cc(Cl)ccc2-c2nnn[n-]2)ccc1Cl ZINC000822845986 1443132754 /nfs/dbraw/zinc/13/27/54/1443132754.db2.gz LRUUFPAIMHFJFJ-UHFFFAOYSA-N -1 0 333.138 3.232 20 30 EGEDRM C[C@H]1CCC[C@H](CCSc2nc(N)c(-c3nn[n-]n3)cc2C#N)C1 ZINC000820697112 1443628726 /nfs/dbraw/zinc/62/87/26/1443628726.db2.gz DXLXOAACINJGCG-WDEREUQCSA-N -1 0 343.460 3.024 20 30 EGEDRM O=C(C=Cc1cc(F)c(F)cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000822922004 1443945223 /nfs/dbraw/zinc/94/52/23/1443945223.db2.gz BUVBGHVCEXMHGD-AATRIKPKSA-N -1 0 330.269 3.180 20 30 EGEDRM C[C@H](Nc1nc2c(cc1-c1nn[n-]n1)CCCC2)c1ccc(C#N)cc1 ZINC000824662190 1446150936 /nfs/dbraw/zinc/15/09/36/1446150936.db2.gz FHITYUMGBYDLRL-LBPRGKRZSA-N -1 0 345.410 3.185 20 30 EGEDRM C=CCOc1ccc(CNc2cccc(-c3nn[n-]n3)c2)cc1OC ZINC000823932022 1446521132 /nfs/dbraw/zinc/52/11/32/1446521132.db2.gz KOUAEIXRJLXQOS-UHFFFAOYSA-N -1 0 337.383 3.052 20 30 EGEDRM Cc1cc(NCCCCC#N)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000737274981 1446643711 /nfs/dbraw/zinc/64/37/11/1446643711.db2.gz RPMAGCUREQEKSX-UHFFFAOYSA-N -1 0 346.398 3.082 20 30 EGEDRM CCc1ccccc1NN=Cc1c[nH]c2ccc(-c3nn[n-]n3)cc12 ZINC000821497259 1446893557 /nfs/dbraw/zinc/89/35/57/1446893557.db2.gz RPBGGXMKVDPVHQ-UHFFFAOYSA-N -1 0 331.383 3.356 20 30 EGEDRM Cc1cc(C)c(-c2nn[n-]n2)c(SCc2ccc(F)c(C#N)c2)n1 ZINC000822193106 1446968213 /nfs/dbraw/zinc/96/82/13/1446968213.db2.gz LNRMNKHPWCVXEK-UHFFFAOYSA-N -1 0 340.387 3.182 20 30 EGEDRM C[C@@H](OC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccc(C#N)cc1 ZINC000820487758 1447208887 /nfs/dbraw/zinc/20/88/87/1447208887.db2.gz INLLLGQWIYDAKE-BSYHEUMXSA-N -1 0 345.362 3.056 20 30 EGEDRM C#CC[C@H](NC(=O)N[C@H](C(=O)[O-])C1CCCCC1)c1ccccc1 ZINC000780698344 939146480 /nfs/dbraw/zinc/14/64/80/939146480.db2.gz ZDCQVTYVCHIVGF-IRXDYDNUSA-N -1 0 328.412 3.084 20 30 EGEDRM C=CCOc1ccc(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)cc1 ZINC000324266539 971103244 /nfs/dbraw/zinc/10/32/44/971103244.db2.gz WZSXQKOGYNAPCI-UHFFFAOYSA-N -1 0 333.290 3.480 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)Nc1ccc(F)cc1-c1ccc(F)cc1 ZINC001602688924 971293130 /nfs/dbraw/zinc/29/31/30/971293130.db2.gz ZSDZAMHJJKWBGL-UHFFFAOYSA-N -1 0 344.317 3.184 20 30 EGEDRM CC(C)c1ccccc1N=C1SCCCN1C(=O)[C@@H](C)C(=O)[O-] ZINC001602796822 971563334 /nfs/dbraw/zinc/56/33/34/971563334.db2.gz IMIPVAMAXRUJQQ-GFCCVEGCSA-N -1 0 334.441 3.484 20 30 EGEDRM CCCC[C@H](ON=C(C)C)C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001589639794 949670785 /nfs/dbraw/zinc/67/07/85/949670785.db2.gz LLBOWXHPERENOF-SJORKVTESA-N -1 0 346.427 3.168 20 30 EGEDRM CCCCN(Cc1c(C)oc(C)c1C)C(=O)[C@](C)(C#N)CC(=O)[O-] ZINC001589650196 949769316 /nfs/dbraw/zinc/76/93/16/949769316.db2.gz CGCBFTKAUOGRNB-SFHVURJKSA-N -1 0 334.416 3.338 20 30 EGEDRM C[C@](CNc1cc(F)c(C#N)cc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC001589072137 955781035 /nfs/dbraw/zinc/78/10/35/955781035.db2.gz MGQANSVFYFAYTE-QGZVFWFLSA-N -1 0 343.314 3.060 20 30 EGEDRM N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H](C(=O)[O-])C2CC2)cc1 ZINC001594600949 956127526 /nfs/dbraw/zinc/12/75/26/956127526.db2.gz DPMLEIVEGCYENN-ZWKOTPCHSA-N -1 0 334.375 3.391 20 30 EGEDRM N#CCCC[C@@H](NC(=O)Nc1ccnc(C(=O)[O-])c1)c1ccccc1 ZINC001594609252 956192125 /nfs/dbraw/zinc/19/21/25/956192125.db2.gz ZGGROSXGNIQJNZ-OAHLLOKOSA-N -1 0 338.367 3.336 20 30 EGEDRM N#CCOc1ccc(NC(=O)Nc2cccc(CCC(=O)[O-])c2)cc1 ZINC001594610415 956202584 /nfs/dbraw/zinc/20/25/84/956202584.db2.gz ZAWHNLMZRJPBAK-UHFFFAOYSA-N -1 0 339.351 3.250 20 30 EGEDRM N#Cc1c2c(sc1NC(=O)c1ccc(C(=O)[O-])nc1)CCCCC2 ZINC001594613876 956227437 /nfs/dbraw/zinc/22/74/37/956227437.db2.gz GMCUCTHGNKTVPP-UHFFFAOYSA-N -1 0 341.392 3.234 20 30 EGEDRM N#Cc1cc(Br)cnc1Nc1cccc(CCC(=O)[O-])c1 ZINC001594614141 956228588 /nfs/dbraw/zinc/22/85/88/956228588.db2.gz JSDKZZFWBJXDFK-UHFFFAOYSA-N -1 0 346.184 3.477 20 30 EGEDRM N#Cc1ccc(-c2cccc(CNC(=O)[C@H]3CC[C@H]3C(=O)[O-])c2)s1 ZINC001594617686 956251956 /nfs/dbraw/zinc/25/19/56/956251956.db2.gz SWHCHWHIJUSLIM-LSDHHAIUSA-N -1 0 340.404 3.014 20 30 EGEDRM N#Cc1ccc(C2(NC(=O)NCc3ccccc3C(=O)[O-])CCC2)cc1 ZINC001594618748 956266455 /nfs/dbraw/zinc/26/64/55/956266455.db2.gz ZHPURWVOWFMSHR-UHFFFAOYSA-N -1 0 349.390 3.135 20 30 EGEDRM N#Cc1ccc(NC(=O)N[C@H](C(=O)[O-])c2ccc(F)cc2)cc1Cl ZINC001594623124 956295938 /nfs/dbraw/zinc/29/59/38/956295938.db2.gz VEJWMYVWMIWEFG-AWEZNQCLSA-N -1 0 347.733 3.298 20 30 EGEDRM N#Cc1ccc(NC(=O)c2cccc(OCC(=O)[O-])c2)c(C2CC2)c1 ZINC001594623169 956296339 /nfs/dbraw/zinc/29/63/39/956296339.db2.gz YIOLRCGTEDWGMM-UHFFFAOYSA-N -1 0 336.347 3.151 20 30 EGEDRM N#Cc1ccc(OCC(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)cc1 ZINC001594624131 956302984 /nfs/dbraw/zinc/30/29/84/956302984.db2.gz QXSMPACQJHTSBP-UHFFFAOYSA-N -1 0 348.717 3.066 20 30 EGEDRM Cc1cc(C(=O)[O-])cc(C(=O)Nc2nc3c(cc2C#N)CCCC3)c1 ZINC001594289289 957811647 /nfs/dbraw/zinc/81/16/47/957811647.db2.gz UJHVINDQKSCMIB-UHFFFAOYSA-N -1 0 335.363 3.091 20 30 EGEDRM C#C[C@H](NC(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1ccc(Cl)cc1 ZINC001588385412 957972131 /nfs/dbraw/zinc/97/21/31/957972131.db2.gz FVOIRZNRUKNVPW-CJNGLKHVSA-N -1 0 348.830 3.301 20 30 EGEDRM C#CCC1(NC(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)CCCCC1 ZINC001588391817 958026845 /nfs/dbraw/zinc/02/68/45/958026845.db2.gz OGCLXJCYYAOBOQ-IBGZPJMESA-N -1 0 342.439 3.054 20 30 EGEDRM C=CC[C@@H](Cc1ccccc1)NC(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001588453109 958431531 /nfs/dbraw/zinc/43/15/31/958431531.db2.gz NQFGIZJAUZVIRB-SCOAYWHSSA-N -1 0 325.364 3.295 20 30 EGEDRM C=CCc1ccc(OC(=O)/C=C/c2ccc(C(=O)[O-])o2)c(OC)c1 ZINC001573336426 958518183 /nfs/dbraw/zinc/51/81/83/958518183.db2.gz AGFBOYGIGVGABN-JXMROGBWSA-N -1 0 328.320 3.334 20 30 EGEDRM C=CCn1c(SCCC2(C(=O)[O-])CCC2)nnc1-c1ccccn1 ZINC001588475266 958561540 /nfs/dbraw/zinc/56/15/40/958561540.db2.gz WYFDWFGNVIFGOO-UHFFFAOYSA-N -1 0 344.440 3.263 20 30 EGEDRM Cc1cccc(-c2cnc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])s2)c1 ZINC001594386017 958668387 /nfs/dbraw/zinc/66/83/87/958668387.db2.gz MXWPJSSYFRUXCM-MRXNPFEDSA-N -1 0 329.381 3.062 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC(C)(c2cccc(Cl)c2)CC1 ZINC001588536247 958934007 /nfs/dbraw/zinc/93/40/07/958934007.db2.gz UYVQUPTVEREPTM-GOSISDBHSA-N -1 0 348.830 3.225 20 30 EGEDRM Cc1cc(C#N)cc(C)c1CC(=O)NC1(C(=O)[O-])CCCCCC1 ZINC001574308037 960756305 /nfs/dbraw/zinc/75/63/05/960756305.db2.gz SYALJIQBEDPOKY-UHFFFAOYSA-N -1 0 328.412 3.011 20 30 EGEDRM CC(C)(C)Oc1ccc(NC(=O)C2(C(=O)[O-])CC=CC2)cc1C#N ZINC001588734510 961122819 /nfs/dbraw/zinc/12/28/19/961122819.db2.gz OHXRHTGEVANLPK-UHFFFAOYSA-N -1 0 328.368 3.095 20 30 EGEDRM CC(C)(C)c1cnc([C@H](C#N)C(=O)c2ccc(C(=O)[O-])nc2)s1 ZINC001588742221 961178199 /nfs/dbraw/zinc/17/81/99/961178199.db2.gz YCQHYEKUPBBLPN-SNVBAGLBSA-N -1 0 329.381 3.024 20 30 EGEDRM N#Cc1cccc(C(=O)Nc2cccc(C(=O)[O-])c2)c1Br ZINC001574490123 961711680 /nfs/dbraw/zinc/71/16/80/961711680.db2.gz XCPRWQJOKDVCSF-UHFFFAOYSA-N -1 0 345.152 3.271 20 30 EGEDRM C#CCSc1ccc(COC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC001573311846 962713409 /nfs/dbraw/zinc/71/34/09/962713409.db2.gz ICKBQIGYTFLKKV-LSDHHAIUSA-N -1 0 332.421 3.346 20 30 EGEDRM C#Cc1ccc(NC(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)c(Cl)c1 ZINC001573313371 962730165 /nfs/dbraw/zinc/73/01/65/962730165.db2.gz GRCSXOUOOXEHDI-PBHICJAKSA-N -1 0 332.787 3.182 20 30 EGEDRM C=C[C@H](CC(=O)NCc1ccc(Cl)c(C(=O)[O-])n1)c1ccccc1 ZINC001573348341 962957374 /nfs/dbraw/zinc/95/73/74/962957374.db2.gz VEQHJAHVWBBJON-GFCCVEGCSA-N -1 0 344.798 3.409 20 30 EGEDRM N#Cc1cc(Br)ccc1CN1CCCCC[C@H]1C(=O)[O-] ZINC000312849142 963599050 /nfs/dbraw/zinc/59/90/50/963599050.db2.gz XLFYVTNJJGRSOT-AWEZNQCLSA-N -1 0 337.217 3.150 20 30 EGEDRM C#CCCCCC(=O)Nc1cc(Br)c(F)c(C(=O)[O-])c1 ZINC001588440710 964043841 /nfs/dbraw/zinc/04/38/41/964043841.db2.gz KYPAQNOCZBQHJO-UHFFFAOYSA-N -1 0 342.164 3.419 20 30 EGEDRM C#CCCN(CCOC)C(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001588447055 964083519 /nfs/dbraw/zinc/08/35/19/964083519.db2.gz CQWMYPQWAVADFN-UHFFFAOYSA-N -1 0 340.379 3.042 20 30 EGEDRM CC(C)CCN(CCC#N)Cc1ccc(N2CCC(C(=O)[O-])CC2)o1 ZINC000904193390 969600388 /nfs/dbraw/zinc/60/03/88/969600388.db2.gz HDGJGWKBOBGQOM-UHFFFAOYSA-N -1 0 347.459 3.342 20 30 EGEDRM C=CCOc1ccc(Br)cc1NC1CC(C(=O)[O-])C1 ZINC001573378842 969808760 /nfs/dbraw/zinc/80/87/60/969808760.db2.gz VEHYVYMEMYGRPU-UHFFFAOYSA-N -1 0 326.190 3.289 20 30 EGEDRM Cc1cc(NC(=O)Nc2ccc(OCC#N)cc2)ccc1C(=O)[O-] ZINC001607689309 970394252 /nfs/dbraw/zinc/39/42/52/970394252.db2.gz APFONWRSEMEPEC-UHFFFAOYSA-N -1 0 325.324 3.240 20 30 EGEDRM CC(C)(C#N)c1ccc(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cc1 ZINC001609744312 970512598 /nfs/dbraw/zinc/51/25/98/970512598.db2.gz VTEKWLXSIMVTQR-XIRDDKMYSA-N -1 0 340.423 3.346 20 30 EGEDRM C[C@@H]1CCCN(CC#Cc2ccc(C(F)(F)F)cc2)[C@@H]1C(=O)[O-] ZINC001603410500 973089886 /nfs/dbraw/zinc/08/98/86/973089886.db2.gz VJTJPYXVMYPWDN-DOMZBBRYSA-N -1 0 325.330 3.242 20 30 EGEDRM Cc1cccc([C@@H](NC(=O)C[C@H](CC#N)c2ccccc2)C(=O)[O-])c1 ZINC001605328689 973186913 /nfs/dbraw/zinc/18/69/13/973186913.db2.gz PQZLWXWRYWZXTF-QFBILLFUSA-N -1 0 336.391 3.325 20 30 EGEDRM C[C@@H]1CN(C(=O)Nc2ccc(C#N)cc2C2CC2)CC[C@H]1C(=O)[O-] ZINC001603450084 973245861 /nfs/dbraw/zinc/24/58/61/973245861.db2.gz MJCHPCFESHMUQM-BXUZGUMPSA-N -1 0 327.384 3.010 20 30 EGEDRM Cc1ccccc1-c1cnc(NC(=O)[C@](C)(C#N)CC(=O)[O-])s1 ZINC001605351659 973262254 /nfs/dbraw/zinc/26/22/54/973262254.db2.gz YXBJUWQLOGDTCS-INIZCTEOSA-N -1 0 329.381 3.062 20 30 EGEDRM N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)cc1 ZINC001605577137 973855904 /nfs/dbraw/zinc/85/59/04/973855904.db2.gz XOMXWLMSWLTXGP-SZMVWBNQSA-N -1 0 349.390 3.327 20 30 EGEDRM N#Cc1ccc(Br)cc1N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000405375088 973856771 /nfs/dbraw/zinc/85/67/71/973856771.db2.gz SPTZQGCTURLIBC-GFCCVEGCSA-N -1 0 335.201 3.012 20 30 EGEDRM N#Cc1cc(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])ccc1Cl ZINC001605592121 973893288 /nfs/dbraw/zinc/89/32/88/973893288.db2.gz WHWKMYBELUWRLL-KMUNFCNLSA-N -1 0 332.787 3.070 20 30 EGEDRM CCOC(=O)c1ccc(C#N)c(SCc2cccc(C(=O)[O-])c2)n1 ZINC001603812243 974287547 /nfs/dbraw/zinc/28/75/47/974287547.db2.gz NGJPFWXFMDVQCQ-UHFFFAOYSA-N -1 0 342.376 3.120 20 30 EGEDRM CC(C)Oc1c(NC(=O)Cc2cccc(C#N)c2)cccc1C(=O)[O-] ZINC001591742382 975760393 /nfs/dbraw/zinc/76/03/93/975760393.db2.gz YUPUKYYPDHQRLI-UHFFFAOYSA-N -1 0 338.363 3.225 20 30 EGEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC(CC(=O)[O-])CC1 ZINC001591758950 975838720 /nfs/dbraw/zinc/83/87/20/975838720.db2.gz OCCWRGAZUOYFQE-UHFFFAOYSA-N -1 0 345.399 3.064 20 30 EGEDRM CC(C)c1ccc(NC(=O)COc2cccc(C#N)c2)c(C(=O)[O-])c1 ZINC001591965416 976557376 /nfs/dbraw/zinc/55/73/76/976557376.db2.gz KURADAUXYFVDBO-UHFFFAOYSA-N -1 0 338.363 3.397 20 30 EGEDRM C[C@@H](CC#N)C(=O)N(C)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001592213445 977273247 /nfs/dbraw/zinc/27/32/47/977273247.db2.gz XQRBTZBBXLCAKQ-UFBFGSQYSA-N -1 0 329.183 3.127 20 30 EGEDRM C[C@@H](CCCC#C[Si](C)(C)C)OC(=O)c1csc(C(=O)[O-])n1 ZINC001592477834 978247265 /nfs/dbraw/zinc/24/72/65/978247265.db2.gz OGRCGANXJDZLPK-NSHDSACASA-N -1 0 339.489 3.438 20 30 EGEDRM C[C@H](CN(Cc1ccccc1)c1nc2ncccc2cc1C#N)C(=O)[O-] ZINC001592609772 978558085 /nfs/dbraw/zinc/55/80/85/978558085.db2.gz MTOMHHQSBCMGIB-CQSZACIVSA-N -1 0 346.390 3.229 20 30 EGEDRM C=CCOc1cc(OC)ccc1C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000761747980 978715261 /nfs/dbraw/zinc/71/52/61/978715261.db2.gz GOXUIYIKEUXVLQ-UHFFFAOYSA-N -1 0 345.326 3.350 20 30 EGEDRM CCCC(N=Nc1ccc(C(=O)[O-])cn1)c1cccc([N+](=O)[O-])c1 ZINC000763372105 978722675 /nfs/dbraw/zinc/72/26/75/978722675.db2.gz SCIICUIXSZJGTR-UHFFFAOYSA-N -1 0 328.328 3.304 20 30 EGEDRM O=C([O-])c1ccc(N=NCc2ccc(OCc3ccncc3)cc2)nc1 ZINC000763371649 978722732 /nfs/dbraw/zinc/72/27/32/978722732.db2.gz GKXZABDCTRWWMW-UHFFFAOYSA-N -1 0 348.362 3.200 20 30 EGEDRM O=C([O-])c1cccc(/C=C/C(=O)c2ncc(Br)s2)c1 ZINC000774135043 978746536 /nfs/dbraw/zinc/74/65/36/978746536.db2.gz PCIJXMUOIBUOQO-SNAWJCMRSA-N -1 0 338.182 3.500 20 30 EGEDRM N#Cc1ccc(NN=Cc2ccc(OCC(=O)[O-])cc2)cc1Cl ZINC000783881364 978794718 /nfs/dbraw/zinc/79/47/18/978794718.db2.gz XHDYBCOJQNCQDI-UHFFFAOYSA-N -1 0 329.743 3.121 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1[N-][NH+]=Cc1ccc(N(C)C(C)C)nc1 ZINC000790172168 978798555 /nfs/dbraw/zinc/79/85/55/978798555.db2.gz LILRIBKOGAWHKO-UHFFFAOYSA-N -1 0 342.399 3.079 20 30 EGEDRM Cc1cc([N+](=O)[O-])ccc1NN=Cc1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC000807990900 978852253 /nfs/dbraw/zinc/85/22/53/978852253.db2.gz OGMJYPWJVRYWNG-GFCCVEGCSA-N -1 0 343.339 3.201 20 30 EGEDRM Cc1cc(Br)cnc1N=NC1CC[C@@H](CC(=O)[O-])[C@H]1C ZINC000819828719 978925056 /nfs/dbraw/zinc/92/50/56/978925056.db2.gz NNVHECNUEJVIEB-ZJUUUORDSA-N -1 0 340.221 3.441 20 30 EGEDRM COc1ccc2c(c1)OC(C)(C)CC2N=Nc1ccc(C(=O)[O-])cn1 ZINC000834966287 979242528 /nfs/dbraw/zinc/24/25/28/979242528.db2.gz FXALMWTXIOCXFF-UHFFFAOYSA-N -1 0 341.367 3.166 20 30 EGEDRM CC(N=Nc1ccc(CC(=O)[O-])cc1)[C@H](C)NC(=O)OC(C)(C)C ZINC000848414584 979466610 /nfs/dbraw/zinc/46/66/10/979466610.db2.gz PHHOROUACKZDTO-NSHDSACASA-N -1 0 335.404 3.015 20 30 EGEDRM CC[C@](CNC(=O)CC1(C#N)CCCCC1)(C(=O)[O-])c1ccccc1 ZINC001595140287 979600073 /nfs/dbraw/zinc/60/00/73/979600073.db2.gz KPXGOPBLLPKFBP-HXUWFJFHSA-N -1 0 342.439 3.399 20 30 EGEDRM C[C@H](Cc1ccc(NC(=O)NCC2CCC(C#N)CC2)cc1)C(=O)[O-] ZINC001592868194 979718608 /nfs/dbraw/zinc/71/86/08/979718608.db2.gz WBWHJABVGFGWQQ-IUDNXUCKSA-N -1 0 343.427 3.401 20 30 EGEDRM C[C@H](Cc1ccc(NC(=O)NCc2ccc(C#N)s2)cc1)C(=O)[O-] ZINC001592871653 979724938 /nfs/dbraw/zinc/72/49/38/979724938.db2.gz GSHGEWONWKAXPY-LLVKDONJSA-N -1 0 343.408 3.205 20 30 EGEDRM C[C@H](Cc1ccc(NC(=O)c2ccccc2OCC#N)cc1)C(=O)[O-] ZINC001592872808 979731797 /nfs/dbraw/zinc/73/17/97/979731797.db2.gz MAUNDUVPOLLPFQ-CYBMUJFWSA-N -1 0 338.363 3.104 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)c1ccc(SC(F)(F)F)cc1)C(=O)[O-] ZINC000864186989 979832614 /nfs/dbraw/zinc/83/26/14/979832614.db2.gz BJDZEMSQRYLNND-LLVKDONJSA-N -1 0 333.331 3.448 20 30 EGEDRM CCCCC[C@@H](NC(=O)N1CCC(C#N)(C(=O)[O-])CC1)C(C)(C)C ZINC001595673432 982141938 /nfs/dbraw/zinc/14/19/38/982141938.db2.gz XBDDBPSFGMIMPC-CQSZACIVSA-N -1 0 337.464 3.381 20 30 EGEDRM C=CCCC[C@@H](NC(=O)Cc1c[nH]c2cccc(OCC)c12)C(=O)[O-] ZINC000910916828 982163297 /nfs/dbraw/zinc/16/32/97/982163297.db2.gz IVJRCDIHBRDACO-OAHLLOKOSA-N -1 0 344.411 3.035 20 30 EGEDRM CCCCCCCC[C@H](C)C(=O)N1CCc2[nH]nc(C(=O)[O-])c2C1 ZINC001595704853 982280785 /nfs/dbraw/zinc/28/07/85/982280785.db2.gz KBZISTMWAVKVNJ-ZDUSSCGKSA-N -1 0 335.448 3.379 20 30 EGEDRM CCCCCCCC(=O)Nc1cccc(-n2cc(C(=O)[O-])nn2)c1 ZINC001595705152 982283016 /nfs/dbraw/zinc/28/30/16/982283016.db2.gz QFOOZUWTTBITRD-UHFFFAOYSA-N -1 0 330.388 3.265 20 30 EGEDRM CC[C@H](C)[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)C(=O)[O-] ZINC001594921817 982471742 /nfs/dbraw/zinc/47/17/42/982471742.db2.gz ULMOMTWCULLAFA-SCLBCKFNSA-N -1 0 343.427 3.181 20 30 EGEDRM C#C[C@@H](NC(=O)Nc1ccc(C(=O)[O-])cn1)c1ccc(Cl)cc1F ZINC001588373837 983339787 /nfs/dbraw/zinc/33/97/87/983339787.db2.gz KMAUNBCWBQIVOL-CYBMUJFWSA-N -1 0 347.733 3.068 20 30 EGEDRM C#C[C@@H](Nc1nc(C)cc(C(=O)[O-])n1)c1ccc(Br)cc1 ZINC001588376862 983354658 /nfs/dbraw/zinc/35/46/58/983354658.db2.gz YTIUEAVXKYIBLY-GFCCVEGCSA-N -1 0 346.184 3.032 20 30 EGEDRM C#CC1CCN(C(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)CC1 ZINC001588383340 983379795 /nfs/dbraw/zinc/37/97/95/983379795.db2.gz WFEKNEZQFJDDQH-UHFFFAOYSA-N -1 0 330.384 3.049 20 30 EGEDRM C#CC[C@H](NC(=O)/C(=C/c1ccc(F)cc1)c1cccs1)C(=O)[O-] ZINC001588393675 983399876 /nfs/dbraw/zinc/39/98/76/983399876.db2.gz FCEXWORJUXNNSW-GOFCXVBSSA-N -1 0 343.379 3.021 20 30 EGEDRM C#CCCOc1ccc(C(=O)NC2(CCC(=O)[O-])CCCCC2)cc1 ZINC001588455561 983480201 /nfs/dbraw/zinc/48/02/01/983480201.db2.gz PVXUNQAZNQEZNB-UHFFFAOYSA-N -1 0 343.423 3.386 20 30 EGEDRM C#CCCOc1ccc(C(=O)O[C@@H](C)c2cc(C(=O)[O-])co2)cc1 ZINC001588458306 983483214 /nfs/dbraw/zinc/48/32/14/983483214.db2.gz MJBUFLPOWLHHRW-LBPRGKRZSA-N -1 0 328.320 3.298 20 30 EGEDRM C#CCN(Cc1cc(C(=O)[O-])c2n1CCCC2)Cc1ccc(F)cc1 ZINC001588469906 983503399 /nfs/dbraw/zinc/50/33/99/983503399.db2.gz SZOKELUZDYSICK-UHFFFAOYSA-N -1 0 340.398 3.297 20 30 EGEDRM C#CCOc1ccc(C(=O)N2CCCc3c(C)ccc(C(=O)[O-])c32)cc1 ZINC001588499051 983544549 /nfs/dbraw/zinc/54/45/49/983544549.db2.gz LOUVBWFUTKQROV-UHFFFAOYSA-N -1 0 349.386 3.298 20 30 EGEDRM C#CCOc1ccccc1-c1noc([C@@H]2CCC[C@H](C(=O)[O-])C2)n1 ZINC001588504458 983547874 /nfs/dbraw/zinc/54/78/74/983547874.db2.gz XEONLYVKRHBSSE-OLZOCXBDSA-N -1 0 326.352 3.107 20 30 EGEDRM C=C(C)[C@@H]1OCC[C@H]1CNc1ncc(C(=O)[O-])cc1C(F)(F)F ZINC001588534606 983586354 /nfs/dbraw/zinc/58/63/54/983586354.db2.gz BCYWGTXKNPRWRT-CABZTGNLSA-N -1 0 330.306 3.192 20 30 EGEDRM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC001588534979 983587399 /nfs/dbraw/zinc/58/73/99/983587399.db2.gz DQSSWGACXASIFI-BBRMVZONSA-N -1 0 346.427 3.152 20 30 EGEDRM C=C(C)Cn1c(C(C)C)nnc1N1CCc2c(cccc2C(=O)[O-])C1 ZINC001588590063 983669263 /nfs/dbraw/zinc/66/92/63/983669263.db2.gz XWSMVKFDXVHKRU-UHFFFAOYSA-N -1 0 340.427 3.239 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N(CC)Cc1cccc(Br)c1 ZINC001588611994 983701507 /nfs/dbraw/zinc/70/15/07/983701507.db2.gz DVVCCTOBUBGKLH-UHFFFAOYSA-N -1 0 340.217 3.219 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N1CCc2c(Cl)c(Cl)ccc2C1 ZINC001588619048 983714635 /nfs/dbraw/zinc/71/46/35/983714635.db2.gz JEZRWBHMNIKWSX-UHFFFAOYSA-N -1 0 328.195 3.299 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N[C@H](CC(C)C)c1nc2ccccc2[nH]1 ZINC001588621505 983719726 /nfs/dbraw/zinc/71/97/26/983719726.db2.gz FNFXLEINDNLGBX-OAHLLOKOSA-N -1 0 329.400 3.187 20 30 EGEDRM C=C(CNC(=O)Nc1cc(C(=O)[O-])cnc1Cl)c1ccccc1 ZINC001588636964 983758086 /nfs/dbraw/zinc/75/80/86/983758086.db2.gz ASFSEDVBVIKWSA-UHFFFAOYSA-N -1 0 331.759 3.268 20 30 EGEDRM C=C[C@H](CC)CC(=O)NCc1ccc(C(=O)[O-])cc1Br ZINC001588690813 983876647 /nfs/dbraw/zinc/87/66/47/983876647.db2.gz MAYXNRINKRCNTC-SNVBAGLBSA-N -1 0 340.217 3.366 20 30 EGEDRM C=C[C@H](Sc1nnc(-c2ccccc2)n1Cc1ccco1)C(=O)[O-] ZINC001588714512 983951721 /nfs/dbraw/zinc/95/17/21/983951721.db2.gz IJYSGVZLBNCYJB-AWEZNQCLSA-N -1 0 341.392 3.318 20 30 EGEDRM C=CC1(CC(=O)N2CC(=O)Nc3cc(C(=O)[O-])ccc32)CCCCC1 ZINC001588714709 983952934 /nfs/dbraw/zinc/95/29/34/983952934.db2.gz LIUDFQQJYSUZJU-UHFFFAOYSA-N -1 0 342.395 3.197 20 30 EGEDRM C=CCC(F)(F)C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC001588742663 984034251 /nfs/dbraw/zinc/03/42/51/984034251.db2.gz HYIFKKYHNKYDLK-UHFFFAOYSA-N -1 0 335.306 3.453 20 30 EGEDRM C=CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001588743565 984038804 /nfs/dbraw/zinc/03/88/04/984038804.db2.gz AANFYILKINTSIN-KRWDZBQOSA-N -1 0 339.391 3.067 20 30 EGEDRM C=CC[C@@H](Sc1n[nH]c(-c2cc(Cl)ccc2OC)n1)C(=O)[O-] ZINC001588758261 984105428 /nfs/dbraw/zinc/10/54/28/984105428.db2.gz FHKHFTHNAJTGPH-LLVKDONJSA-N -1 0 339.804 3.255 20 30 EGEDRM C=CC[C@H](Sc1nnc(-c2ccc(OC)cc2)n1CC=C)C(=O)[O-] ZINC001588759569 984112937 /nfs/dbraw/zinc/11/29/37/984112937.db2.gz XAURXSYPUNJASA-AWEZNQCLSA-N -1 0 345.424 3.261 20 30 EGEDRM C=CC[C@@H](Sc1nnc(Nc2ccccc2OC)s1)C(=O)[O-] ZINC001588761737 984114246 /nfs/dbraw/zinc/11/42/46/984114246.db2.gz AXNXZRWJXICRMJ-LLVKDONJSA-N -1 0 337.426 3.412 20 30 EGEDRM C=CCC1(C(=O)N[C@](C)(CC(=O)[O-])c2ccncc2)CCCCC1 ZINC001588762755 984117243 /nfs/dbraw/zinc/11/72/43/984117243.db2.gz MKTZCYKTAXXFHQ-GOSISDBHSA-N -1 0 330.428 3.414 20 30 EGEDRM C=CC[C@@H](Sc1nnc2n1c1ccccc1n2C(C)C)C(=O)[O-] ZINC001588763780 984121639 /nfs/dbraw/zinc/12/16/39/984121639.db2.gz ZNMGGYLIBMDHIA-CYBMUJFWSA-N -1 0 330.413 3.386 20 30 EGEDRM C=CCC[C@@H](C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1)c1ccccc1 ZINC001588777007 984155045 /nfs/dbraw/zinc/15/50/45/984155045.db2.gz QLRJZTWGWASQBC-SJORKVTESA-N -1 0 327.424 3.450 20 30 EGEDRM C=CCCC(C)(C)NC(=O)Nc1ccc(C(=O)[O-])c(C(=O)OC)c1 ZINC001588777502 984156371 /nfs/dbraw/zinc/15/63/71/984156371.db2.gz BJLUCFIEFJXEPA-UHFFFAOYSA-N -1 0 334.372 3.038 20 30 EGEDRM C=CCC[C@@H](NC(=O)N1CCSC[C@H](C(=O)[O-])C1)c1ccccc1 ZINC001588779492 984166448 /nfs/dbraw/zinc/16/64/48/984166448.db2.gz ZIYXIZQQKJTFSI-HZPDHXFCSA-N -1 0 348.468 3.153 20 30 EGEDRM C=CCC[C@H]1CCCN1C(=O)Nc1ccc(C(=O)[O-])c(C(=O)OC)c1 ZINC001588782394 984171557 /nfs/dbraw/zinc/17/15/57/984171557.db2.gz UKDWIHXPRACHEH-ZDUSSCGKSA-N -1 0 346.383 3.134 20 30 EGEDRM C=CCCC[C@H](NC(=O)/C(C)=C/c1ccc(OC)c(F)c1)C(=O)[O-] ZINC001588785501 984180702 /nfs/dbraw/zinc/18/07/02/984180702.db2.gz HMLJPMFVTXTXOE-PABFRNLHSA-N -1 0 335.375 3.163 20 30 EGEDRM C=CCCC[C@@H](NC(=O)[C@H](C)Sc1ccc(F)cc1)C(=O)[O-] ZINC001588787831 984188717 /nfs/dbraw/zinc/18/87/17/984188717.db2.gz YJKUTWUDADSEJH-SMDDNHRTSA-N -1 0 325.405 3.232 20 30 EGEDRM C=CCCC[C@H](NC(=O)CCCc1ccc(F)c(F)c1)C(=O)[O-] ZINC001588788431 984189320 /nfs/dbraw/zinc/18/93/20/984189320.db2.gz BWSCPGYZIWDKRN-HNNXBMFYSA-N -1 0 325.355 3.213 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1)C(=O)[O-] ZINC001588792498 984209824 /nfs/dbraw/zinc/20/98/24/984209824.db2.gz ISYDLZJSPFUAQG-ZDUSSCGKSA-N -1 0 347.802 3.269 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1cccc2[nH]c(C(F)F)nc21)C(=O)[O-] ZINC001588792663 984211510 /nfs/dbraw/zinc/21/15/10/984211510.db2.gz CCMYUOQZBNPJER-NSHDSACASA-N -1 0 337.326 3.040 20 30 EGEDRM C=CCCC[C@H](NC(=O)Cc1sc(C2CCC2)nc1C)C(=O)[O-] ZINC001588793879 984222484 /nfs/dbraw/zinc/22/24/84/984222484.db2.gz DYZBOKMPTFKNLC-ZDUSSCGKSA-N -1 0 336.457 3.187 20 30 EGEDRM C=CCCC[C@H](NC(=O)Cc1scnc1-c1ccccc1)C(=O)[O-] ZINC001588794478 984227479 /nfs/dbraw/zinc/22/74/79/984227479.db2.gz VWIVQRRRWLMGMO-AWEZNQCLSA-N -1 0 344.436 3.278 20 30 EGEDRM C=CCCCNC(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC001588803790 984252534 /nfs/dbraw/zinc/25/25/34/984252534.db2.gz KJPAMLYITOXZEA-UHFFFAOYSA-N -1 0 346.305 3.414 20 30 EGEDRM C=CCONC(=O)Nc1cc(C(=O)[O-])ccc1OCc1ccccc1 ZINC001588868677 984434850 /nfs/dbraw/zinc/43/48/50/984434850.db2.gz PVPNLCGYUIEMQX-UHFFFAOYSA-N -1 0 342.351 3.203 20 30 EGEDRM C=CCSc1ccccc1C(=O)N(C)c1nc(CC(=O)[O-])cs1 ZINC001588879785 984459075 /nfs/dbraw/zinc/45/90/75/984459075.db2.gz PEHCIPWQLFEKEE-UHFFFAOYSA-N -1 0 348.449 3.325 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@@H](OC)C1CCCC1 ZINC001588882385 984462575 /nfs/dbraw/zinc/46/25/75/984462575.db2.gz PZQQWJSLSSUTQG-KRWDZBQOSA-N -1 0 348.395 3.233 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1cccnc1Cl ZINC001588884994 984465087 /nfs/dbraw/zinc/46/50/87/984465087.db2.gz ISEBJHFOFVYMOK-UHFFFAOYSA-N -1 0 347.754 3.390 20 30 EGEDRM C=CCc1ccc(OCC(=O)Oc2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC001588886724 984473457 /nfs/dbraw/zinc/47/34/57/984473457.db2.gz PEMNMLAXARFKRO-UHFFFAOYSA-N -1 0 342.347 3.106 20 30 EGEDRM C=CCn1c2ccccc2nc1S[C@H](C)C(=O)C(C)(C)C(=O)[O-] ZINC001588904931 984533698 /nfs/dbraw/zinc/53/36/98/984533698.db2.gz JCERGEULFBMCKS-LLVKDONJSA-N -1 0 332.425 3.383 20 30 EGEDRM C=CCn1c(=O)c2ccccc2nc1SCc1ccc(C(=O)[O-])o1 ZINC001588907759 984540448 /nfs/dbraw/zinc/54/04/48/984540448.db2.gz VWPYLMGJSNAPMU-UHFFFAOYSA-N -1 0 342.376 3.166 20 30 EGEDRM CC(=NOCc1scnc1Cl)c1ccc(OCC(=O)[O-])cc1 ZINC001589021166 985011042 /nfs/dbraw/zinc/01/10/42/985011042.db2.gz MLRQYQSDOXSYME-UHFFFAOYSA-N -1 0 340.788 3.201 20 30 EGEDRM CC(=NOCc1ccc(F)cc1C#N)c1ccc(OCC(=O)[O-])cc1 ZINC001589021834 985014821 /nfs/dbraw/zinc/01/48/21/985014821.db2.gz WVIOWMYRCOAYRK-UHFFFAOYSA-N -1 0 342.326 3.102 20 30 EGEDRM Cc1c(C#N)cccc1C(=O)Nc1nc(C(=O)[O-])c(C(C)C)s1 ZINC001599973509 986048523 /nfs/dbraw/zinc/04/85/23/986048523.db2.gz XEEGMJKIWFRPSQ-UHFFFAOYSA-N -1 0 329.381 3.397 20 30 EGEDRM Cc1c(C#N)cccc1NC(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001599974405 986065626 /nfs/dbraw/zinc/06/56/26/986065626.db2.gz AZCHCMYQCGBTHE-WBVHZDCISA-N -1 0 335.363 3.301 20 30 EGEDRM CCOc1cc(C(=O)[O-])ccc1NC(=O)[C@]1(C#N)CC2CCC1CC2 ZINC001597009327 986342910 /nfs/dbraw/zinc/34/29/10/986342910.db2.gz MOUVRKMOXDVGGM-JSORRYRYSA-N -1 0 342.395 3.442 20 30 EGEDRM CCOc1ccc(C(=O)/C=C/c2cc(C(=O)[O-])co2)cc1[N+](=O)[O-] ZINC001597055847 986536368 /nfs/dbraw/zinc/53/63/68/986536368.db2.gz LZAWPCLDZDZNOE-SNAWJCMRSA-N -1 0 331.280 3.181 20 30 EGEDRM CC(C)(C#N)c1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCC[C@H]32)cc1 ZINC001589558383 987310300 /nfs/dbraw/zinc/31/03/00/987310300.db2.gz PBKYZQNETBESFS-IXDOHACOSA-N -1 0 340.423 3.203 20 30 EGEDRM CC(C)(C#N)c1ccc(C(=O)OCc2ccccc2CC(=O)[O-])cc1 ZINC001589558712 987311253 /nfs/dbraw/zinc/31/12/53/987311253.db2.gz SWNKGFPAFCNVQF-UHFFFAOYSA-N -1 0 337.375 3.472 20 30 EGEDRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1 ZINC001589611288 987462240 /nfs/dbraw/zinc/46/22/40/987462240.db2.gz DZLBBFGPEXZHEC-YESZJQIVSA-N -1 0 340.423 3.011 20 30 EGEDRM CC(C)(C(=O)[O-])[C@H]1CCCN(c2cccc(-n3cccn3)c2C#N)C1 ZINC001589617336 987492575 /nfs/dbraw/zinc/49/25/75/987492575.db2.gz SZJDXKPAOOWODP-AWEZNQCLSA-N -1 0 338.411 3.071 20 30 EGEDRM CC(C)(C(=O)[O-])c1cccc(OC(=O)c2ccc(F)c(C#N)c2)c1 ZINC001589651357 987603158 /nfs/dbraw/zinc/60/31/58/987603158.db2.gz YXFKMHCSBOMHMC-UHFFFAOYSA-N -1 0 327.311 3.279 20 30 EGEDRM CCc1ccc(C#CC(=O)NC[C@@](CC)(C(=O)[O-])c2ccccc2)cc1 ZINC001597495627 988043737 /nfs/dbraw/zinc/04/37/37/988043737.db2.gz YFNTXPZOZULIQR-JOCHJYFZSA-N -1 0 349.430 3.149 20 30 EGEDRM CSc1cc(C(=O)N(CC#N)CCC(=O)[O-])c(Cl)cc1Cl ZINC001599807615 988281710 /nfs/dbraw/zinc/28/17/10/988281710.db2.gz KVJSNRMWZBUMQV-UHFFFAOYSA-N -1 0 347.223 3.156 20 30 EGEDRM CCc1cccc(CC)c1NC(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001597585574 988397635 /nfs/dbraw/zinc/39/76/35/988397635.db2.gz RPTJGECDEYQZFP-UHFFFAOYSA-N -1 0 329.400 3.034 20 30 EGEDRM C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1cc(C#N)ccc1Cl ZINC001599832635 988696707 /nfs/dbraw/zinc/69/67/07/988696707.db2.gz WTYLDIWBIHFNGI-LBPRGKRZSA-N -1 0 342.782 3.327 20 30 EGEDRM CCc1oc(CNCc2ccc(SC)c(C#N)c2)cc1C(=O)[O-] ZINC001597805602 989415404 /nfs/dbraw/zinc/41/54/04/989415404.db2.gz JUZOXNBZUFUSMX-UHFFFAOYSA-N -1 0 330.409 3.424 20 30 EGEDRM CC(C)(C)c1ccc(C#N)c(N[C@@H]2CCCn3nc(C(=O)[O-])cc32)n1 ZINC001590472077 990042808 /nfs/dbraw/zinc/04/28/08/990042808.db2.gz IFSQIXGJNDCTQU-GFCCVEGCSA-N -1 0 339.399 3.092 20 30 EGEDRM CC(C)(CCC(=O)[O-])NC(=O)c1cn(CCCC#N)c2ccccc12 ZINC001590663011 990360722 /nfs/dbraw/zinc/36/07/22/990360722.db2.gz CFFYLAYRPWAILM-UHFFFAOYSA-N -1 0 341.411 3.318 20 30 EGEDRM CC(C)(CNC(=O)c1ccc(C#Cc2ccccc2)cc1)CC(=O)[O-] ZINC001590749446 990549307 /nfs/dbraw/zinc/54/93/07/990549307.db2.gz XXJVOTXCIPEOLV-UHFFFAOYSA-N -1 0 335.403 3.317 20 30 EGEDRM CC(C)(Cc1ccc(C#N)cc1)NC(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC001590820245 990653334 /nfs/dbraw/zinc/65/33/34/990653334.db2.gz LAJUFPTUPPRWSK-FPLPWBNLSA-N -1 0 338.363 3.000 20 30 EGEDRM CN(CCCOc1ccc(Cl)cc1)c1ccc(C(=O)[O-])nc1C#N ZINC001598482207 992172163 /nfs/dbraw/zinc/17/21/63/992172163.db2.gz IXCOOTGGEWIHCP-UHFFFAOYSA-N -1 0 345.786 3.210 20 30 EGEDRM CN(CCc1cccc(C#N)c1)c1cc(C(F)(F)F)c(C(=O)[O-])cn1 ZINC001598500321 992426628 /nfs/dbraw/zinc/42/66/28/992426628.db2.gz SDWFOXGVQMGIEB-UHFFFAOYSA-N -1 0 349.312 3.349 20 30 EGEDRM CN(Cc1csc(C#N)c1)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001598533326 992814553 /nfs/dbraw/zinc/81/45/53/992814553.db2.gz IPNYKZDUTAEKDI-CQSZACIVSA-N -1 0 340.326 3.295 20 30 EGEDRM COc1ccc(OC(F)F)c(NCc2cccc(C(=O)[O-])c2C#N)c1 ZINC001599600914 993814431 /nfs/dbraw/zinc/81/44/31/993814431.db2.gz YGVWAVBLRYWAEQ-UHFFFAOYSA-N -1 0 348.305 3.479 20 30 EGEDRM COc1ccc2ncc(C#N)c(OC[C@H]3CCCC[C@H]3C(=O)[O-])c2c1 ZINC001599634808 994270744 /nfs/dbraw/zinc/27/07/44/994270744.db2.gz HUPGGLIAXOZXOI-IUODEOHRSA-N -1 0 340.379 3.385 20 30 EGEDRM C[C@H](NCc1cc(C#N)ccc1F)c1ccccc1OCC(=O)[O-] ZINC001593289801 994667418 /nfs/dbraw/zinc/66/74/18/994667418.db2.gz XSUNDCAJCJQGRI-LBPRGKRZSA-N -1 0 328.343 3.012 20 30 EGEDRM C[C@H](OC(=O)C1(c2cccc(C#N)c2)CC1)c1cc(C(=O)[O-])co1 ZINC001593496573 995475166 /nfs/dbraw/zinc/47/51/66/995475166.db2.gz MJKVSAFLXDBWPH-NSHDSACASA-N -1 0 325.320 3.185 20 30 EGEDRM C[C@H](OC(=O)C1(c2cc(F)cc(C#N)c2)CC1)c1ccc(C(=O)[O-])o1 ZINC001593496926 995478092 /nfs/dbraw/zinc/47/80/92/995478092.db2.gz RBAFAGKKNMHDLX-JTQLQIEISA-N -1 0 343.310 3.325 20 30 EGEDRM C[C@H](Oc1ccccc1CNc1ccc(OCC#N)cc1)C(=O)[O-] ZINC001593650745 996008120 /nfs/dbraw/zinc/00/81/20/996008120.db2.gz HNGFIOOTIKLGRQ-ZDUSSCGKSA-N -1 0 326.352 3.053 20 30 EGEDRM C[C@H](c1ccc(C#N)cc1)n1cc(CC2(C(=O)[O-])CCCCC2)nn1 ZINC001593686842 996124766 /nfs/dbraw/zinc/12/47/66/996124766.db2.gz SYDPOORHSHKLRX-CQSZACIVSA-N -1 0 338.411 3.337 20 30 EGEDRM COc1cc(C=Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)ccc1C#N ZINC001599399917 997195706 /nfs/dbraw/zinc/19/57/06/997195706.db2.gz KFTZIDBXDIEXTK-XVNBXDOJSA-N -1 0 347.330 3.084 20 30 EGEDRM COc1ccc([C@@H](NCC#Cc2ccccc2)C(=O)[O-])cc1Cl ZINC001599525691 997553762 /nfs/dbraw/zinc/55/37/62/997553762.db2.gz AMNMSOHRVMRDBY-QGZVFWFLSA-N -1 0 329.783 3.116 20 30 EGEDRM COCCCOc1cccc(/C=C\C(=O)c2cc(C(=O)[O-])co2)c1 ZINC001599228420 997801634 /nfs/dbraw/zinc/80/16/34/997801634.db2.gz AYUFWLXHTVNADA-SREVYHEPSA-N -1 0 330.336 3.289 20 30 EGEDRM COc1ccc(/C=C\C(=O)[O-])cc1OC(=O)[C@]1(C#N)CC12CCCC2 ZINC001599540989 997841386 /nfs/dbraw/zinc/84/13/86/997841386.db2.gz BAFSHOQBICUMKU-SUOMESGTSA-N -1 0 341.363 3.172 20 30 EGEDRM COc1cc(OC)c(C(=O)/C=C/c2ccc(C(=O)[O-])n2C)cc1Cl ZINC001599447720 998036003 /nfs/dbraw/zinc/03/60/03/998036003.db2.gz UOJLCQATIFHXPW-FNORWQNLSA-N -1 0 349.770 3.290 20 30 EGEDRM COc1cc(C#N)cc(Cl)c1OC(=O)c1cc(C(=O)[O-])oc1C ZINC001599349615 998070916 /nfs/dbraw/zinc/07/09/16/998070916.db2.gz XZXIDFCXSDCLED-UHFFFAOYSA-N -1 0 335.699 3.039 20 30 EGEDRM C[C@@H]1[C@H](C(=O)[O-])CCN1c1c(C#N)cnc2c(F)ccc(Cl)c21 ZINC001594170887 998656591 /nfs/dbraw/zinc/65/65/91/998656591.db2.gz LWGQTIOYRJOLJI-PSASIEDQSA-N -1 0 333.750 3.198 20 30 EGEDRM C=CCOc1ccc(C(=O)N(C)C2(C(=O)[O-])CCCCC2)cc1OC ZINC000262846450 245210616 /nfs/dbraw/zinc/21/06/16/245210616.db2.gz SUMYSLBMPATKSD-UHFFFAOYSA-N -1 0 347.411 3.120 20 30 EGEDRM C=CCCC(=O)N[C@@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC000097017843 218916488 /nfs/dbraw/zinc/91/64/88/218916488.db2.gz JGUNNZSRGVHPRA-LBPRGKRZSA-N -1 0 326.190 3.047 20 30 EGEDRM CC(=O)c1cc([N-]S(=O)(=O)c2cccc(C)c2C#N)ccc1F ZINC000350485570 141249147 /nfs/dbraw/zinc/24/91/47/141249147.db2.gz YIZQYCIARLNVBO-UHFFFAOYSA-N -1 0 332.356 3.009 20 30 EGEDRM C[C@](CC(=O)Nc1ccc(C#N)c(F)c1)(C(=O)[O-])c1ccccc1 ZINC000307915860 154136274 /nfs/dbraw/zinc/13/62/74/154136274.db2.gz KJYWKBSEJXLJCR-GOSISDBHSA-N -1 0 326.327 3.068 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2F)o1 ZINC000340958592 163703040 /nfs/dbraw/zinc/70/30/40/163703040.db2.gz OOVIQECUDRMQAM-UHFFFAOYSA-N -1 0 334.250 3.110 20 30 EGEDRM COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C#N)c(Cl)c1 ZINC000342442907 163881605 /nfs/dbraw/zinc/88/16/05/163881605.db2.gz FRYRYUGNBYNPSZ-UHFFFAOYSA-N -1 0 340.763 3.160 20 30 EGEDRM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000350938058 165083535 /nfs/dbraw/zinc/08/35/35/165083535.db2.gz HYZWHQXVSVACKP-UHFFFAOYSA-N -1 0 339.779 3.193 20 30 EGEDRM CCc1ncsc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000355810635 166317362 /nfs/dbraw/zinc/31/73/62/166317362.db2.gz GKIOLRUHSCSBIW-UHFFFAOYSA-N -1 0 327.818 3.031 20 30 EGEDRM CC[C@H](C)n1ncc([N-]S(=O)(=O)c2cccc(C)c2C#N)c1C ZINC000359660149 167203350 /nfs/dbraw/zinc/20/33/50/167203350.db2.gz BPRAPLGQAFUHCK-LBPRGKRZSA-N -1 0 332.429 3.143 20 30 EGEDRM Cc1nc(CC(C)C)c([N-]S(=O)(=O)c2cccc(C#N)c2)s1 ZINC000122529617 222106993 /nfs/dbraw/zinc/10/69/93/222106993.db2.gz KMKDJPOEQZLYKG-UHFFFAOYSA-N -1 0 335.454 3.323 20 30 EGEDRM N#Cc1cc([N-]S(=O)(=O)c2cnc3ccccc3c2)ccc1F ZINC000430978671 270050265 /nfs/dbraw/zinc/05/02/65/270050265.db2.gz QIWNBLKXGNILQD-UHFFFAOYSA-N -1 0 327.340 3.046 20 30 EGEDRM Cc1[n-][nH]c(=NC(=O)c2csc(-c3ccc(Cl)s3)n2)c1C#N ZINC000431685690 270050430 /nfs/dbraw/zinc/05/04/30/270050430.db2.gz MIZQRWBZIUDCKK-UHFFFAOYSA-N -1 0 349.828 3.102 20 30 EGEDRM CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000181938725 265840519 /nfs/dbraw/zinc/84/05/19/265840519.db2.gz VLBAACLNLQJASY-UHFFFAOYSA-N -1 0 339.351 3.223 20 30 EGEDRM CCN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000164349829 266097282 /nfs/dbraw/zinc/09/72/82/266097282.db2.gz ZIMPDNSGTFDKNT-LBPRGKRZSA-N -1 0 339.351 3.395 20 30 EGEDRM CCOC(=O)N(C)c1ccc(NC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000492612298 267121055 /nfs/dbraw/zinc/12/10/55/267121055.db2.gz YDWSPKZBHGPCLZ-UHFFFAOYSA-N -1 0 339.351 3.109 20 30 EGEDRM CCSc1n[n-]c(=NC(=O)N(C)[C@@H](C)c2cccc(C#N)c2)s1 ZINC000425626752 267181629 /nfs/dbraw/zinc/18/16/29/267181629.db2.gz UMOXCNQUBMOTMR-JTQLQIEISA-N -1 0 347.469 3.169 20 30 EGEDRM CC[C@H](C)n1nc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)cc1C ZINC000435715336 267208952 /nfs/dbraw/zinc/20/89/52/267208952.db2.gz PQBYDMGGXHUCSW-LBPRGKRZSA-N -1 0 332.429 3.143 20 30 EGEDRM CC[C@H](Sc1ccccc1)C(=O)N=c1[n-]n(C(C)(C)C)cc1C#N ZINC000415259543 267225058 /nfs/dbraw/zinc/22/50/58/267225058.db2.gz UZRCRBBODFRDMM-HNNXBMFYSA-N -1 0 342.468 3.441 20 30 EGEDRM C[C@H]1C[C@@H](C(=O)[O-])CN(c2nc3c(cc2C#N)CCCC3(C)C)C1 ZINC000422556644 267895877 /nfs/dbraw/zinc/89/58/77/267895877.db2.gz GHPLDKXYRXSQTR-SWLSCSKDSA-N -1 0 327.428 3.114 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2cnoc2-c2ccccc2)ccc1C#N ZINC000435737654 268018972 /nfs/dbraw/zinc/01/89/72/268018972.db2.gz KLYODXSCUYLXMV-UHFFFAOYSA-N -1 0 339.376 3.323 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2nc3c(s2)CCC3(C)C)ccc1C#N ZINC000421231106 268020075 /nfs/dbraw/zinc/02/00/75/268020075.db2.gz JAPHJDMDHPTHHF-UHFFFAOYSA-N -1 0 347.465 3.348 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCO3)cc1Cl ZINC000195450888 268207560 /nfs/dbraw/zinc/20/75/60/268207560.db2.gz AYXUIKILFVONEM-UHFFFAOYSA-N -1 0 348.811 3.337 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(C3CCCCC3)[nH]n2)c(F)c1 ZINC000531883631 268259552 /nfs/dbraw/zinc/25/95/52/268259552.db2.gz FAERPFNUZFIARM-UHFFFAOYSA-N -1 0 348.403 3.269 20 30 EGEDRM COc1c(C)cc(S(=O)(=O)[N-]c2cccc(C)c2C#N)cc1C ZINC000539472266 314316153 /nfs/dbraw/zinc/31/61/53/314316153.db2.gz IFLSGXMYJUZPLQ-UHFFFAOYSA-N -1 0 330.409 3.293 20 30 EGEDRM CC1(C)CCCc2sc([N-]S(=O)(=O)c3ccc(C#N)cc3)nc21 ZINC000569775800 316960953 /nfs/dbraw/zinc/96/09/53/316960953.db2.gz RKWPGVRTQHCXOG-UHFFFAOYSA-N -1 0 347.465 3.429 20 30 EGEDRM N#Cc1ccc(NC(=O)N2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)cc1 ZINC000570759700 317102807 /nfs/dbraw/zinc/10/28/07/317102807.db2.gz CNADBSZTOHWDHL-IRXDYDNUSA-N -1 0 335.363 3.380 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2)s1 ZINC000230333437 456137667 /nfs/dbraw/zinc/13/76/67/456137667.db2.gz ACMOHDGDFOZBJC-UHFFFAOYSA-N -1 0 343.227 3.183 20 30 EGEDRM N#Cc1nc(NC(=O)CCCc2ccc3ccccc3c2)[n-]c1C#N ZINC000182510357 323557731 /nfs/dbraw/zinc/55/77/31/323557731.db2.gz AETKXDCKGULTPD-UHFFFAOYSA-N -1 0 329.363 3.268 20 30 EGEDRM Cc1cc(C(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)on1 ZINC000237889871 455229929 /nfs/dbraw/zinc/22/99/29/455229929.db2.gz PJLUAFOTQPIDHT-UHFFFAOYSA-N -1 0 346.342 3.333 20 30 EGEDRM Cc1sc([C@H]2CCCN2c2ccc(C#N)c(C)n2)nc1C(=O)[O-] ZINC000600673973 460564421 /nfs/dbraw/zinc/56/44/21/460564421.db2.gz CDLNBDFBIQDJFQ-GFCCVEGCSA-N -1 0 328.397 3.066 20 30 EGEDRM C=CCOc1ccccc1CNC(=O)C[C@H](C(=O)[O-])c1ccccc1 ZINC000600800712 460609956 /nfs/dbraw/zinc/60/99/56/460609956.db2.gz WTCWRQNKFYHMNC-KRWDZBQOSA-N -1 0 339.391 3.126 20 30 EGEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1cccc(OC(F)(F)F)c1 ZINC000024429818 453732897 /nfs/dbraw/zinc/73/28/97/453732897.db2.gz BCUZQROAFKYFBA-UHFFFAOYSA-N -1 0 342.298 3.258 20 30 EGEDRM C[C@H]1CCc2[nH]c3ccc(C(=O)Nc4nc(C#N)c(C#N)[n-]4)cc3c2C1 ZINC000026276224 453796088 /nfs/dbraw/zinc/79/60/88/453796088.db2.gz MGLUJGZUIJDXCT-JTQLQIEISA-N -1 0 344.378 3.011 20 30 EGEDRM Cn1cc(-c2nc(C([O-])=C(C#N)c3nc4ccccc4o3)cs2)cn1 ZINC000066516656 453849507 /nfs/dbraw/zinc/84/95/07/453849507.db2.gz XKECMPFCWSCLJE-LLVKDONJSA-N -1 0 349.375 3.175 20 30 EGEDRM C=C[C@H](CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])c1ccccc1 ZINC000190731160 455374799 /nfs/dbraw/zinc/37/47/99/455374799.db2.gz NMOQONYLVWBLNA-DNVCBOLYSA-N -1 0 335.403 3.384 20 30 EGEDRM Cc1nn2c(nc(C)cc2C)c1C([O-])=C(C#N)c1nc2ccccc2[nH]1 ZINC000075830956 453928384 /nfs/dbraw/zinc/92/83/84/453928384.db2.gz ZZFMJTZZKIUSPT-CYBMUJFWSA-N -1 0 344.378 3.021 20 30 EGEDRM N#CC(=C([O-])c1occc1Br)c1nc2ccccc2[nH]1 ZINC000083763269 453959331 /nfs/dbraw/zinc/95/93/31/453959331.db2.gz NFADHKZBCNNDBK-QMMMGPOBSA-N -1 0 330.141 3.408 20 30 EGEDRM Cc1ccc(Br)cc1S(=O)(=O)[N-]C(=O)C=CC1CC1 ZINC000076758639 454034301 /nfs/dbraw/zinc/03/43/01/454034301.db2.gz ZAWPBUKKEDFENN-FNORWQNLSA-N -1 0 344.230 3.369 20 30 EGEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(-c2cccs2)[nH]n1 ZINC000077966303 454172480 /nfs/dbraw/zinc/17/24/80/454172480.db2.gz REDHXHINGCEQTF-UHFFFAOYSA-N -1 0 344.421 3.119 20 30 EGEDRM CCc1nc(C)c(C(=O)[N-]S(=O)(=O)CC2CCCCC2)s1 ZINC000051901507 454641054 /nfs/dbraw/zinc/64/10/54/454641054.db2.gz QSFKGLOHFDZTGB-UHFFFAOYSA-N -1 0 330.475 3.229 20 30 EGEDRM Cc1cccc(S(=O)(=O)[N-]c2ccccc2OC(F)F)c1C#N ZINC000137198579 454771668 /nfs/dbraw/zinc/77/16/68/454771668.db2.gz BXGVUAFDMSCCCR-UHFFFAOYSA-N -1 0 338.335 3.269 20 30 EGEDRM CC(C)(C#N)c1ccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000164160046 454875733 /nfs/dbraw/zinc/87/57/33/454875733.db2.gz ZZILNWWGHYQINQ-UHFFFAOYSA-N -1 0 325.324 3.354 20 30 EGEDRM C=CCN(C)C(=O)c1cc(Br)c([O-])c(Br)c1 ZINC000154231402 454876717 /nfs/dbraw/zinc/87/67/17/454876717.db2.gz MAMXANZBDJVXLN-UHFFFAOYSA-N -1 0 349.022 3.175 20 30 EGEDRM O=C(NCC#Cc1ccc(C(F)(F)F)cc1)c1c(O)cccc1F ZINC000128026502 455019431 /nfs/dbraw/zinc/01/94/31/455019431.db2.gz CLNBGEVOTHYAKE-UHFFFAOYSA-N -1 0 337.272 3.332 20 30 EGEDRM COc1ccc(O)c(C(=O)/C=C/c2cn(C)nc2-c2ccncc2)c1 ZINC000156693674 455145306 /nfs/dbraw/zinc/14/53/06/455145306.db2.gz BFOZKXZYXRCTRB-HWKANZROSA-N -1 0 335.363 3.092 20 30 EGEDRM CN(C(=O)OC(C)(C)C)c1ccc(OC(=O)c2ccc(C#N)[nH]2)cc1 ZINC000157005354 455161006 /nfs/dbraw/zinc/16/10/06/455161006.db2.gz MEDDJBITAQFCIR-UHFFFAOYSA-N -1 0 341.367 3.477 20 30 EGEDRM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c(C)c1O ZINC000183007670 455208762 /nfs/dbraw/zinc/20/87/62/455208762.db2.gz GRRXWQRPJICFDG-UHFFFAOYSA-N -1 0 336.800 3.335 20 30 EGEDRM Cc1cccc(C([O-])=C(C#N)c2cnc3ccccc3n2)c1[N+](=O)[O-] ZINC000190923059 455406506 /nfs/dbraw/zinc/40/65/06/455406506.db2.gz CQKAWDYKMRNNNS-ZDUSSCGKSA-N -1 0 332.319 3.337 20 30 EGEDRM CCn1nc(C)c(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)c1C ZINC000266118315 455423819 /nfs/dbraw/zinc/42/38/19/455423819.db2.gz XULVOAMXJWPDCY-UHFFFAOYSA-N -1 0 346.456 3.122 20 30 EGEDRM N#CCc1cccc(C(=O)N[C@H](C(=O)[O-])c2ccc3ccccc3c2)c1 ZINC000191481410 455488399 /nfs/dbraw/zinc/48/83/99/455488399.db2.gz IYCDFBKTQBRZMO-IBGZPJMESA-N -1 0 344.370 3.462 20 30 EGEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1cc(F)ccc1OC(F)F ZINC000161109937 455534670 /nfs/dbraw/zinc/53/46/70/455534670.db2.gz YHDYHDIJPWVGAZ-UHFFFAOYSA-N -1 0 342.298 3.100 20 30 EGEDRM Cc1nn2c(nc(C)cc2C)c1C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000193538114 455763616 /nfs/dbraw/zinc/76/36/16/455763616.db2.gz DYNHIJGEVOIIBI-CYBMUJFWSA-N -1 0 345.362 3.286 20 30 EGEDRM CC(C)[C@@H](O)C1(C/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000271855388 455788321 /nfs/dbraw/zinc/78/83/21/455788321.db2.gz XFWPKMVGZRCWQC-BYNSURFDSA-N -1 0 326.780 3.170 20 30 EGEDRM CC(C)ON=C([O-])Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000296286728 455899885 /nfs/dbraw/zinc/89/98/85/455899885.db2.gz FAFGWGUKCIKEGL-UHFFFAOYSA-N -1 0 349.441 3.164 20 30 EGEDRM C=CCC[C@H](NC(=O)[C@H](CC)Oc1ccccc1Cl)C(=O)[O-] ZINC000262858813 456063161 /nfs/dbraw/zinc/06/31/61/456063161.db2.gz INKVEXUPXWDKII-STQMWFEESA-N -1 0 325.792 3.033 20 30 EGEDRM C=CCC[C@H](NC(=O)[C@@H]1C[C@H]1c1c(F)cccc1Cl)C(=O)[O-] ZINC000262957070 456071669 /nfs/dbraw/zinc/07/16/69/456071669.db2.gz RGQRUVGFVQWKPK-BREBYQMCSA-N -1 0 325.767 3.118 20 30 EGEDRM Cc1nn(C(C)C)cc1/C=C/C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000280905779 456077570 /nfs/dbraw/zinc/07/75/70/456077570.db2.gz FDMUHZGHGVZSFS-BQYQJAHWSA-N -1 0 328.368 3.132 20 30 EGEDRM C=CCC[C@H](NC(=O)CCSc1ccccc1Cl)C(=O)[O-] ZINC000263040897 456082475 /nfs/dbraw/zinc/08/24/75/456082475.db2.gz ZQQYZKSTLFHAMV-LBPRGKRZSA-N -1 0 327.833 3.358 20 30 EGEDRM C[C@H]1C[C@@H](C(=O)[O-])CN(c2c(C#N)cnc3c(F)ccc(Cl)c32)C1 ZINC000263292559 456120134 /nfs/dbraw/zinc/12/01/34/456120134.db2.gz ZAORSEDVOQNXCB-VHSXEESVSA-N -1 0 347.777 3.446 20 30 EGEDRM C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000263471498 456153680 /nfs/dbraw/zinc/15/36/80/456153680.db2.gz HYTDFYNPMGLLRQ-RYUDHWBXSA-N -1 0 335.429 3.265 20 30 EGEDRM C=CCC[C@H](NC(=O)C(C)(C)c1ccc(Cl)cc1F)C(=O)[O-] ZINC000263527673 456158742 /nfs/dbraw/zinc/15/87/42/456158742.db2.gz KWCHMQGEEKDVBE-ZDUSSCGKSA-N -1 0 327.783 3.292 20 30 EGEDRM C=CCCS(=O)(=O)[N-]c1cc(Cl)ccc1O[C@@H](C)COC ZINC000189075682 456218890 /nfs/dbraw/zinc/21/88/90/456218890.db2.gz IRRAJEHGVLMNMU-NSHDSACASA-N -1 0 333.837 3.072 20 30 EGEDRM Cc1cc(C(C#N)=C([O-])c2cnc(-c3ccccn3)s2)nc(C)n1 ZINC000340183446 456297152 /nfs/dbraw/zinc/29/71/52/456297152.db2.gz CJIKAMDXRIUDHQ-LBPRGKRZSA-N -1 0 335.392 3.102 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2cc(Cl)cc(Br)c2[O-])[nH]1 ZINC000340332924 456394156 /nfs/dbraw/zinc/39/41/56/456394156.db2.gz LEZVNQUDSKLCKW-UHFFFAOYSA-N -1 0 340.564 3.260 20 30 EGEDRM CCCOc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2OC)cc1 ZINC000352901071 456400883 /nfs/dbraw/zinc/40/08/83/456400883.db2.gz KUASNSDFONEXKY-UHFFFAOYSA-N -1 0 346.408 3.156 20 30 EGEDRM N#Cc1cc(Cl)ccc1N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000290682566 456403798 /nfs/dbraw/zinc/40/37/98/456403798.db2.gz LNSGAPGVEYGPTI-SNVBAGLBSA-N -1 0 345.752 3.107 20 30 EGEDRM CCCCCCCCOCc1cccc(NC(=O)C(=O)[N-]OC)c1 ZINC000276197812 456410708 /nfs/dbraw/zinc/41/07/08/456410708.db2.gz VBNNKYIAGIDXLJ-UHFFFAOYSA-N -1 0 336.432 3.180 20 30 EGEDRM C=CCOc1ccccc1CN=c1[n-]nc(Cc2ccsc2)o1 ZINC000347880690 456423745 /nfs/dbraw/zinc/42/37/45/456423745.db2.gz MQGSBIDXMKHHPK-UHFFFAOYSA-N -1 0 327.409 3.321 20 30 EGEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1cc(Cl)cc(Br)c1 ZINC000308352289 456572616 /nfs/dbraw/zinc/57/26/16/456572616.db2.gz MISKAESPQMIDRV-JTQLQIEISA-N -1 0 337.626 3.146 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccn3)cc2)o1 ZINC000340945190 456776180 /nfs/dbraw/zinc/77/61/80/456776180.db2.gz CERGDJXSOJEQSV-UHFFFAOYSA-N -1 0 341.348 3.139 20 30 EGEDRM Cc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000340956778 456782250 /nfs/dbraw/zinc/78/22/50/456782250.db2.gz FSJGAVFJLXSZGE-UHFFFAOYSA-N -1 0 330.287 3.279 20 30 EGEDRM CSc1ccc([N-]S(=O)(=O)c2ccc(C#N)o2)cc1Cl ZINC000340958668 456784218 /nfs/dbraw/zinc/78/42/18/456784218.db2.gz OTFDJGPDBLTNTA-UHFFFAOYSA-N -1 0 328.802 3.327 20 30 EGEDRM CC(C)(C)c1[n-]n(CCCO[C@@H]2CCCCO2)c(=O)c1CCC#N ZINC000341400664 456861786 /nfs/dbraw/zinc/86/17/86/456861786.db2.gz QUCPSOJYIVBYML-OAHLLOKOSA-N -1 0 335.448 3.276 20 30 EGEDRM CC(C)C(=O)Nc1cc(C([O-])=C(C#N)c2nc3ccccc3o2)ccn1 ZINC000344953775 456876172 /nfs/dbraw/zinc/87/61/72/456876172.db2.gz VFEKSSAUKVCESI-CYBMUJFWSA-N -1 0 348.362 3.307 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)NCc2ccc(C(C)C)cc2)cc1C#N ZINC000353833519 456928432 /nfs/dbraw/zinc/92/84/32/456928432.db2.gz FGZBMKMOCJODNA-UHFFFAOYSA-N -1 0 341.436 3.434 20 30 EGEDRM C[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)C(F)(F)F ZINC000341896697 456990996 /nfs/dbraw/zinc/99/09/96/456990996.db2.gz JCTJMCIIWSWDBB-YFKPBYRVSA-N -1 0 339.232 3.074 20 30 EGEDRM C=CCOc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc(Cl)cc2)cc1 ZINC000345881691 457004410 /nfs/dbraw/zinc/00/44/10/457004410.db2.gz ZOMGVSSSGXYCAW-INIZCTEOSA-N -1 0 345.782 3.461 20 30 EGEDRM COC(=O)c1ccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)n1C ZINC000346417715 457041058 /nfs/dbraw/zinc/04/10/58/457041058.db2.gz OZSJFPHUBAXORG-SNVBAGLBSA-N -1 0 345.424 3.056 20 30 EGEDRM CC[C@@H](NC(=O)N=c1nc(C(C)(C)C)[n-]s1)c1c(C)noc1C ZINC000330484331 457048683 /nfs/dbraw/zinc/04/86/83/457048683.db2.gz XIZJWMNKCRLMQD-SNVBAGLBSA-N -1 0 337.449 3.340 20 30 EGEDRM CC(C)c1cc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)no1 ZINC000356963082 457245835 /nfs/dbraw/zinc/24/58/35/457245835.db2.gz XBNJBHRJTJOFEZ-UHFFFAOYSA-N -1 0 325.777 3.124 20 30 EGEDRM CCCc1c(C([O-])=C(C#N)c2ccncn2)cnn1Cc1ccccc1 ZINC000354472527 457246664 /nfs/dbraw/zinc/24/66/64/457246664.db2.gz PCBAJVLYIQNUBL-INIZCTEOSA-N -1 0 345.406 3.164 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(C(C)=O)s2)n1 ZINC000354661835 457303460 /nfs/dbraw/zinc/30/34/60/457303460.db2.gz UFYVJCDXGYKCBP-VIFPVBQESA-N -1 0 348.405 3.074 20 30 EGEDRM C=C(C)[C@@H](CC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])OCC ZINC000351761471 457317194 /nfs/dbraw/zinc/31/71/94/457317194.db2.gz CIRCSMPGHPXUIB-GFCCVEGCSA-N -1 0 328.752 3.264 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ncsc2C(C)C)n1 ZINC000354972968 457332851 /nfs/dbraw/zinc/33/28/51/457332851.db2.gz VLGIRZMDKPMXBI-VIFPVBQESA-N -1 0 349.437 3.390 20 30 EGEDRM CCc1nc(C)c([N-]S(=O)(=O)c2cccc(Cl)c2C#N)s1 ZINC000360801445 457360881 /nfs/dbraw/zinc/36/08/81/457360881.db2.gz LISTUFTZDLASFM-UHFFFAOYSA-N -1 0 341.845 3.340 20 30 EGEDRM N#CCc1ccccc1S(=O)(=O)[N-]c1ccccc1OC(F)F ZINC000355887303 457429184 /nfs/dbraw/zinc/42/91/84/457429184.db2.gz PADWDWDMRQNMRM-UHFFFAOYSA-N -1 0 338.335 3.155 20 30 EGEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1noc2cc(Cl)ccc21 ZINC000342649985 457429790 /nfs/dbraw/zinc/42/97/90/457429790.db2.gz GJTSSZQEPYDGPO-UHFFFAOYSA-N -1 0 347.783 3.462 20 30 EGEDRM CC[C@@H](C)n1nc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc1C ZINC000342781371 457521483 /nfs/dbraw/zinc/52/14/83/457521483.db2.gz PAZJPAVIVMKBSZ-GFCCVEGCSA-N -1 0 332.429 3.143 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)c2cnc3ccsc3c2)cc1F ZINC000357465184 457546193 /nfs/dbraw/zinc/54/61/93/457546193.db2.gz HSZODGAQZGCGKA-UHFFFAOYSA-N -1 0 333.369 3.108 20 30 EGEDRM Cc1ccc(Br)cc1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000361134309 457603453 /nfs/dbraw/zinc/60/34/53/457603453.db2.gz DNCALFDSCYPHEN-UHFFFAOYSA-N -1 0 341.186 3.023 20 30 EGEDRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N[C@@]3(C#N)CC3(C)C)n2)c1 ZINC000357726249 457669943 /nfs/dbraw/zinc/66/99/43/457669943.db2.gz ORJWMFSQAJMCLK-LJQANCHMSA-N -1 0 338.411 3.123 20 30 EGEDRM CC(C)Oc1cc(C([O-])=C(C#N)c2cnc3ccccc3n2)ccn1 ZINC000361542469 457782425 /nfs/dbraw/zinc/78/24/25/457782425.db2.gz ZDJIZPWFOCPAHP-AWEZNQCLSA-N -1 0 332.363 3.302 20 30 EGEDRM CC[C@@H](C)[C@@H]([N-]S(=O)(=O)CC1(C#N)CCCCC1)C(F)(F)F ZINC000443926371 457826447 /nfs/dbraw/zinc/82/64/47/457826447.db2.gz GLIUYRGRRXPRRF-VXGBXAGGSA-N -1 0 340.411 3.357 20 30 EGEDRM C=CCCO[C@H](C)C(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000375365192 457897610 /nfs/dbraw/zinc/89/76/10/457897610.db2.gz FFUAEWZCIWMTPK-CQSZACIVSA-N -1 0 331.412 3.072 20 30 EGEDRM Cn1cc(C([O-])=C(C#N)c2nc3ccccc3o2)c(-c2ccoc2)n1 ZINC000434623581 458024736 /nfs/dbraw/zinc/02/47/36/458024736.db2.gz LXWPMFODPXLIPQ-GFCCVEGCSA-N -1 0 332.319 3.311 20 30 EGEDRM N#Cc1cccc(S(=O)(=O)[N-]c2noc3ccc(Cl)cc32)c1 ZINC000427780765 458035561 /nfs/dbraw/zinc/03/55/61/458035561.db2.gz RFWOTHOVJZYRJK-UHFFFAOYSA-N -1 0 333.756 3.154 20 30 EGEDRM O=C([O-])CCOc1ccc(/C=C2/COc3c(F)cccc3C2=O)cc1 ZINC000368791208 458058764 /nfs/dbraw/zinc/05/87/64/458058764.db2.gz QTYKTJSFKHQZBB-RAXLEYEMSA-N -1 0 342.322 3.338 20 30 EGEDRM C=CC[C@@H]1N(S(=O)(=O)c2csc(C(=O)[O-])c2)CCCC1(C)C ZINC000435467853 458152013 /nfs/dbraw/zinc/15/20/13/458152013.db2.gz LHHVJQKHXVJFMH-ZDUSSCGKSA-N -1 0 343.470 3.202 20 30 EGEDRM CC(C)(CC#N)CNC(=O)c1cc(Br)cc(Cl)c1[O-] ZINC000412424890 458198801 /nfs/dbraw/zinc/19/88/01/458198801.db2.gz WESXXQIXHAZEPD-UHFFFAOYSA-N -1 0 345.624 3.478 20 30 EGEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc2[nH]ccc2cc1C ZINC000436178640 458265408 /nfs/dbraw/zinc/26/54/08/458265408.db2.gz HUZYGKQACKGAEH-UHFFFAOYSA-N -1 0 341.392 3.157 20 30 EGEDRM C=CCC[C@@H](C(=O)Nc1ncc(C(=O)OCC)[n-]1)c1ccccc1 ZINC000415645671 458333331 /nfs/dbraw/zinc/33/33/31/458333331.db2.gz ILSUUJAFEYAKCA-CQSZACIVSA-N -1 0 327.384 3.275 20 30 EGEDRM C=C[C@H]1CCCCN1C(=O)c1nn(-c2ccccc2CC)cc1[O-] ZINC000429474719 458336504 /nfs/dbraw/zinc/33/65/04/458336504.db2.gz LIPYKYCOVNJFSH-HNNXBMFYSA-N -1 0 325.412 3.321 20 30 EGEDRM N#C[C@H]1COCCN1C(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000436588551 458339662 /nfs/dbraw/zinc/33/96/62/458339662.db2.gz HWRIARMUGUQFGS-AWEZNQCLSA-N -1 0 342.782 3.077 20 30 EGEDRM CC(C)(C)CC[C@@H](Nc1ncc(Br)cc1C#N)C(=O)[O-] ZINC000416444493 458347292 /nfs/dbraw/zinc/34/72/92/458347292.db2.gz YOTXQVRLGCXQFP-LLVKDONJSA-N -1 0 340.221 3.407 20 30 EGEDRM C=CCCOCCNC(=O)c1cc(Br)cc(Cl)c1[O-] ZINC000436712284 458365173 /nfs/dbraw/zinc/36/51/73/458365173.db2.gz FPFLROPMIAAZNL-UHFFFAOYSA-N -1 0 348.624 3.131 20 30 EGEDRM COC(=O)c1ccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)cn1 ZINC000420274910 458398263 /nfs/dbraw/zinc/39/82/63/458398263.db2.gz PFHVPRHNPROSSS-NSHDSACASA-N -1 0 343.408 3.112 20 30 EGEDRM C=CCC[C@H](NC(=O)[C@H](OC1CCCC1)c1ccccc1)C(=O)[O-] ZINC000448991650 458418019 /nfs/dbraw/zinc/41/80/19/458418019.db2.gz JNFVFGWAHZTOFR-DLBZAZTESA-N -1 0 331.412 3.223 20 30 EGEDRM N#C[C@@H]1N(C(=O)c2ccc([O-])c(Cl)c2)CCC[C@@]12CCCCO2 ZINC000377274489 458494986 /nfs/dbraw/zinc/49/49/86/458494986.db2.gz ZSKCAMLOMNGZHE-RDJZCZTQSA-N -1 0 334.803 3.113 20 30 EGEDRM CN(CC(C)(C)C#N)C(=O)N=c1nc(-c2ccccc2Cl)[n-]s1 ZINC000455137718 458586449 /nfs/dbraw/zinc/58/64/49/458586449.db2.gz JIECGVWLAMCIHU-UHFFFAOYSA-N -1 0 349.847 3.294 20 30 EGEDRM C=C[C@@H](CC(=O)N[C@@H](C(=O)[O-])c1ccc(OC)cc1)c1ccccc1 ZINC000431800564 458626962 /nfs/dbraw/zinc/62/69/62/458626962.db2.gz PJKKSBBGTJBRHE-IFXJQAMLSA-N -1 0 339.391 3.297 20 30 EGEDRM N#CCc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc3ccccc3c2)cc1 ZINC000431877691 458639137 /nfs/dbraw/zinc/63/91/37/458639137.db2.gz KVJVWTMOEQMKBH-LJQANCHMSA-N -1 0 344.370 3.462 20 30 EGEDRM CC(C)c1csc(C(C#N)=C([O-])c2nn(C)c3c2CCCC3)n1 ZINC000515368875 458808178 /nfs/dbraw/zinc/80/81/78/458808178.db2.gz UYOJQHVCFRMQOW-GFCCVEGCSA-N -1 0 328.441 3.369 20 30 EGEDRM N#CC(=C([O-])c1ccc(O[C@H]2CCOC2)cc1)c1nc2ccccc2o1 ZINC000517665924 458831193 /nfs/dbraw/zinc/83/11/93/458831193.db2.gz ZXVVOGCIIWDPBC-JKSUJKDBSA-N -1 0 348.358 3.486 20 30 EGEDRM C=CCC[C@H](NC(=O)NCc1cccc(COC(C)(C)C)c1)C(=O)[O-] ZINC000556710454 458993499 /nfs/dbraw/zinc/99/34/99/458993499.db2.gz MBFJOEZAXQTYQZ-INIZCTEOSA-N -1 0 348.443 3.220 20 30 EGEDRM C[C@H](CN(C(=O)c1ccc(C#Cc2ccccc2)cc1)C1CC1)C(=O)[O-] ZINC000566906740 459020176 /nfs/dbraw/zinc/02/01/76/459020176.db2.gz ZBGIIVWMNPONDZ-MRXNPFEDSA-N -1 0 347.414 3.412 20 30 EGEDRM COCc1cccc2sc(NC(=O)c3ccc(C#N)c([O-])c3)nc21 ZINC000442664413 459021883 /nfs/dbraw/zinc/02/18/83/459021883.db2.gz ZHZGRXNPIGKUCR-UHFFFAOYSA-N -1 0 339.376 3.272 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2cnn(C)c2Cc2ccccc2)n1 ZINC000577575518 459052844 /nfs/dbraw/zinc/05/28/44/459052844.db2.gz GSWFUHZVXKUCCK-CQSZACIVSA-N -1 0 336.420 3.266 20 30 EGEDRM CC(C)[C@@H](CNC(=O)N[C@H](CCCC#N)c1ccccc1)C(=O)[O-] ZINC000594529351 459080913 /nfs/dbraw/zinc/08/09/13/459080913.db2.gz RPCUEBPCYFOFKC-HZPDHXFCSA-N -1 0 331.416 3.078 20 30 EGEDRM C=C[C@@H](C)O[N-]C(=O)[C@](C)(NC(=O)OC(C)(C)C)c1ccccc1 ZINC000496522872 459225932 /nfs/dbraw/zinc/22/59/32/459225932.db2.gz FGJVJDLXOJSBAN-FZKQIMNGSA-N -1 0 334.416 3.049 20 30 EGEDRM N#CC(=C([O-])c1noc2c1CCCC2)c1cc(C(F)(F)F)ccn1 ZINC000579781364 459252046 /nfs/dbraw/zinc/25/20/46/459252046.db2.gz ZCEBVQKVWYTYLG-NSHDSACASA-N -1 0 335.285 3.457 20 30 EGEDRM Cc1cc([N-]S(=O)(=O)CCC(C)(C)C#N)nn1-c1ccc(C)cc1 ZINC000581887517 459277871 /nfs/dbraw/zinc/27/78/71/459277871.db2.gz TVUXAVHRXYROEW-UHFFFAOYSA-N -1 0 346.456 3.171 20 30 EGEDRM CC(=O)Nc1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)cc1F ZINC000559989402 459289801 /nfs/dbraw/zinc/28/98/01/459289801.db2.gz LQCSCFMFZRFABV-GFCCVEGCSA-N -1 0 337.310 3.415 20 30 EGEDRM C=CCc1cc(CN=c2nc(C(C)(C)C)o[n-]2)cc(OC)c1OC ZINC000541836741 459496609 /nfs/dbraw/zinc/49/66/09/459496609.db2.gz MTOQGXMPDOITDT-UHFFFAOYSA-N -1 0 331.416 3.147 20 30 EGEDRM C=CCn1cccc1C(=O)N=c1[n-]nc(Cc2ccc(C)cc2)s1 ZINC000488830109 459552748 /nfs/dbraw/zinc/55/27/48/459552748.db2.gz DTSYAJBESKXYOZ-UHFFFAOYSA-N -1 0 338.436 3.099 20 30 EGEDRM CCn1ccc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)n1 ZINC000571325496 459567519 /nfs/dbraw/zinc/56/75/19/459567519.db2.gz RSVPODBMYJACSQ-JTQLQIEISA-N -1 0 329.310 3.138 20 30 EGEDRM C=CCC[C@H](NC(=O)Nc1ccc2[nH]c(C(F)F)nc2c1)C(=O)[O-] ZINC000573079808 459622313 /nfs/dbraw/zinc/62/23/13/459622313.db2.gz JVEIREGLBSUPSV-JTQLQIEISA-N -1 0 338.314 3.041 20 30 EGEDRM C=CCC[C@H](NC(=O)NCCc1c[nH]c2ccc(Cl)cc12)C(=O)[O-] ZINC000562974369 459684620 /nfs/dbraw/zinc/68/46/20/459684620.db2.gz JCUODUKSCMOZTB-HNNXBMFYSA-N -1 0 349.818 3.082 20 30 EGEDRM CC(C)(C)Oc1ccc(NC(=O)NC2(CC(=O)[O-])CCC2)cc1C#N ZINC000593013484 459739961 /nfs/dbraw/zinc/73/99/61/459739961.db2.gz PJFCVLJZHFRLMD-UHFFFAOYSA-N -1 0 345.399 3.254 20 30 EGEDRM Cc1nc([N-]S(=O)(=O)CCC2CCCC2)sc1SCC#N ZINC000563936169 459769682 /nfs/dbraw/zinc/76/96/82/459769682.db2.gz ZDWCOOINXVEIPO-UHFFFAOYSA-N -1 0 345.515 3.389 20 30 EGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)c1cnn(C2CC2)c1 ZINC000528917365 459817497 /nfs/dbraw/zinc/81/74/97/459817497.db2.gz YQYDSDVSXONUTI-HNNXBMFYSA-N -1 0 332.363 3.213 20 30 EGEDRM C[C@](CNc1nc2c(cc1C#N)CCCC2)(C(=O)[O-])c1ccccc1 ZINC000593327448 459845702 /nfs/dbraw/zinc/84/57/02/459845702.db2.gz NCZWNSDLAWWRAV-HXUWFJFHSA-N -1 0 335.407 3.286 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccnc2Oc2ccccc2)o1 ZINC000588840901 459990828 /nfs/dbraw/zinc/99/08/28/459990828.db2.gz GRPDKWBJMPVUCX-UHFFFAOYSA-N -1 0 341.348 3.139 20 30 EGEDRM COc1cc(C)c([N-]S(=O)(=O)c2ccc(C#N)s2)c(C)c1C ZINC000588852221 459992896 /nfs/dbraw/zinc/99/28/96/459992896.db2.gz FXPZDXKJLDBNMD-UHFFFAOYSA-N -1 0 336.438 3.354 20 30 EGEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc2c1ccn2C ZINC000609629716 459998594 /nfs/dbraw/zinc/99/85/94/459998594.db2.gz SQBIWOAGBCFBMR-UHFFFAOYSA-N -1 0 325.393 3.159 20 30 EGEDRM CC(C)(C#N)C[C@@H](O)CSc1n[n-]c(=NC2CCCCC2)s1 ZINC000598704547 460001546 /nfs/dbraw/zinc/00/15/46/460001546.db2.gz RMQDPWYTPVPXOZ-GFCCVEGCSA-N -1 0 340.518 3.097 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2coc(C3CCC3)n2)n1 ZINC000618561404 460062137 /nfs/dbraw/zinc/06/21/37/460062137.db2.gz FEUGJAQGSLVBHE-SNVBAGLBSA-N -1 0 345.380 3.065 20 30 EGEDRM N#Cc1ccc(C(=O)[O-])nc1/C=C/c1ccc(OCC(F)F)cc1 ZINC000610218408 460085742 /nfs/dbraw/zinc/08/57/42/460085742.db2.gz KUIMHVXRNGTDQU-XVNBXDOJSA-N -1 0 330.290 3.466 20 30 EGEDRM CC(C)C[C@H](C)n1nccc1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000589586345 460105600 /nfs/dbraw/zinc/10/56/00/460105600.db2.gz CUULEMNITPQFFA-AWEZNQCLSA-N -1 0 346.456 3.357 20 30 EGEDRM Cc1ccc(-c2[n-][nH]c(=NC(=O)[C@@H](C)Cc3ccc(C#N)cc3)c2C)o1 ZINC000594368777 460197441 /nfs/dbraw/zinc/19/74/41/460197441.db2.gz OVWJOXCBEMSVLB-LBPRGKRZSA-N -1 0 348.406 3.397 20 30 EGEDRM N#CCC[C@H](NC(=O)C[C@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000610968007 460267842 /nfs/dbraw/zinc/26/78/42/460267842.db2.gz SMJGDWZERNPZLD-ROUUACIJSA-N -1 0 336.391 3.406 20 30 EGEDRM CC(C)Oc1cc(F)ccc1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000619463600 460363207 /nfs/dbraw/zinc/36/32/07/460363207.db2.gz ADBPFPRXAOMINT-UHFFFAOYSA-N -1 0 348.399 3.480 20 30 EGEDRM CC(C)(C)c1n[n-]c(=NC(=O)NCc2ccc(C#N)c(Cl)c2)s1 ZINC000619787183 460444437 /nfs/dbraw/zinc/44/44/37/460444437.db2.gz APCXAYCHLZPXLC-UHFFFAOYSA-N -1 0 349.847 3.104 20 30 EGEDRM N#Cc1ccc(-n2[n-]c3c(c2=O)CSCC3)cc1C(F)(F)F ZINC000601936990 460951223 /nfs/dbraw/zinc/95/12/23/460951223.db2.gz ADDSUDLZUZQNSS-SNVBAGLBSA-N -1 0 325.315 3.033 20 30 EGEDRM C=C(C)[C@H](NC(=O)[C@H](C)S[C@H](C)C(=O)[O-])c1ccc(F)c(F)c1 ZINC000601993008 460975821 /nfs/dbraw/zinc/97/58/21/460975821.db2.gz RXLLIDGDVHYCLZ-RBZYPMLTSA-N -1 0 343.395 3.293 20 30 EGEDRM C=CCC1(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)CCOCC1 ZINC000630328431 461096947 /nfs/dbraw/zinc/09/69/47/461096947.db2.gz ASMBBOQQNMSFEK-JKSUJKDBSA-N -1 0 329.396 3.186 20 30 EGEDRM CSc1cc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)c(C)o1 ZINC000659108325 461166800 /nfs/dbraw/zinc/16/68/00/461166800.db2.gz KQLDQGZSSWINLX-LLVKDONJSA-N -1 0 326.381 3.380 20 30 EGEDRM CCn1ncc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)c1C ZINC000633912839 461328062 /nfs/dbraw/zinc/32/80/62/461328062.db2.gz WODROFNDMNQTNW-LLVKDONJSA-N -1 0 328.372 3.450 20 30 EGEDRM C=CCC1(NC(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)CCCC1 ZINC000659412705 461336811 /nfs/dbraw/zinc/33/68/11/461336811.db2.gz RQMZXBWMGJTLIY-SFHVURJKSA-N -1 0 330.428 3.217 20 30 EGEDRM N#CC(=C([O-])c1cc(=O)[nH]c(C2CC2)c1)c1nc(C2CC2)cs1 ZINC000647379252 461668445 /nfs/dbraw/zinc/66/84/45/461668445.db2.gz VCKYVPPCUKNIMS-GFCCVEGCSA-N -1 0 325.393 3.489 20 30 EGEDRM N#CC(=C([O-])c1n[nH]c2c1CCCC2)c1cc(C(F)(F)F)ccn1 ZINC000643778002 461803036 /nfs/dbraw/zinc/80/30/36/461803036.db2.gz SBBHWHJDEPDWTJ-LLVKDONJSA-N -1 0 334.301 3.192 20 30 EGEDRM C=CCC[C@@H](NC(=O)Nc1cccc(CC(F)(F)F)c1)C(=O)[O-] ZINC000654797265 462384733 /nfs/dbraw/zinc/38/47/33/462384733.db2.gz ZCRWICQCLPYVKY-GFCCVEGCSA-N -1 0 330.306 3.332 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)Cc2ccccc2Cl)cc1 ZINC000042303222 526679269 /nfs/dbraw/zinc/67/92/69/526679269.db2.gz MTFQUEZSAVCNOE-UHFFFAOYSA-N -1 0 334.784 3.100 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)CCc2ccco2)cc1Cl ZINC000071883888 526679486 /nfs/dbraw/zinc/67/94/86/526679486.db2.gz PNAGGUPSJWSLMB-UHFFFAOYSA-N -1 0 338.772 3.083 20 30 EGEDRM CC(C)Oc1ccc(NC(=O)CC2(C(=O)[O-])CCCC2)cc1C#N ZINC000178763884 528182458 /nfs/dbraw/zinc/18/24/58/528182458.db2.gz DWTBAKYAQAYWDQ-UHFFFAOYSA-N -1 0 330.384 3.319 20 30 EGEDRM CCc1nn(C)cc1C([O-])=C(C#N)c1nc2cc(F)ccc2s1 ZINC000678408339 549485165 /nfs/dbraw/zinc/48/51/65/549485165.db2.gz HXDHFIRXSLUNCM-SNVBAGLBSA-N -1 0 328.372 3.221 20 30 EGEDRM C=C(C)[C@H](NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-])c1ccc(F)c(F)c1 ZINC000681349716 549985099 /nfs/dbraw/zinc/98/50/99/549985099.db2.gz VFYRDUZGXNQYES-IOASZLSFSA-N -1 0 335.350 3.365 20 30 EGEDRM Cc1noc(C(F)F)c1C([O-])=C(C#N)c1cnc2ccccc2n1 ZINC000682995130 550175234 /nfs/dbraw/zinc/17/52/34/550175234.db2.gz OQBYKOCSUJLMIW-SECBINFHSA-N -1 0 328.278 3.354 20 30 EGEDRM C[C@H]1C[C@H](CC(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)CC(C)(C)C1 ZINC000727629931 574678712 /nfs/dbraw/zinc/67/87/12/574678712.db2.gz ZTYRVHQMMLJTOR-DZGCQCFKSA-N -1 0 348.468 3.216 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2ccc(C)c(Cl)c2)n1 ZINC000728673370 574765951 /nfs/dbraw/zinc/76/59/51/574765951.db2.gz YVZPXFOKLSHPKC-GFCCVEGCSA-N -1 0 348.811 3.447 20 30 EGEDRM CON=Cc1ccc(C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)cc1 ZINC000737838885 574965380 /nfs/dbraw/zinc/96/53/80/574965380.db2.gz DMBNLSSFQYYCEA-QGZVFWFLSA-N -1 0 340.379 3.003 20 30 EGEDRM COc1cc(C=NNc2cc(F)c(F)cc2F)cc([N+](=O)[O-])c1[O-] ZINC000734302622 575463739 /nfs/dbraw/zinc/46/37/39/575463739.db2.gz IGUYDNMYUMOVCP-UHFFFAOYSA-N -1 0 341.245 3.172 20 30 EGEDRM COc1ccc(Cl)cc1C(CC(C)C)=NNc1nnc(C)c(=O)[n-]1 ZINC000735970417 575742886 /nfs/dbraw/zinc/74/28/86/575742886.db2.gz FFHUMFPHTBOJKX-UHFFFAOYSA-N -1 0 349.822 3.410 20 30 EGEDRM C#CCOc1ccccc1CNC(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000736088425 575897362 /nfs/dbraw/zinc/89/73/62/575897362.db2.gz VPEWJBAVNCBDDV-UHFFFAOYSA-N -1 0 338.363 3.027 20 30 EGEDRM C=CCN(C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F)C(C)C ZINC000736108558 575897591 /nfs/dbraw/zinc/89/75/91/575897591.db2.gz ZMLLCQYJYQVSMG-UHFFFAOYSA-N -1 0 328.315 3.415 20 30 EGEDRM C=CC[C@@H](NC(=O)Cn1cc(C(=O)[O-])c2ccccc21)c1ccncc1 ZINC000736097033 575899249 /nfs/dbraw/zinc/89/92/49/575899249.db2.gz VSMJZKAIWYOQBW-QGZVFWFLSA-N -1 0 349.390 3.168 20 30 EGEDRM C=CCCCCCN(C)S(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC000736098204 575899504 /nfs/dbraw/zinc/89/95/04/575899504.db2.gz VNEUHQHKIQXPSV-UHFFFAOYSA-N -1 0 325.430 3.060 20 30 EGEDRM C=CCOc1ccc(C(=O)Nc2ccc(CNC(=O)[O-])cc2)cc1 ZINC000736114254 575900705 /nfs/dbraw/zinc/90/07/05/575900705.db2.gz QLQVPPZNVBFGMT-UHFFFAOYSA-N -1 0 326.352 3.271 20 30 EGEDRM CC(C)(C)c1ncc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)s1 ZINC000736302711 575930281 /nfs/dbraw/zinc/93/02/81/575930281.db2.gz CXJZAQUTIXBHAN-ZDUSSCGKSA-N -1 0 344.392 3.295 20 30 EGEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)c1cccc(C(=O)[O-])n1 ZINC000736545465 575982017 /nfs/dbraw/zinc/98/20/17/575982017.db2.gz OZZVRFRGZWXSOB-LLVKDONJSA-N -1 0 341.392 3.426 20 30 EGEDRM C[C@H](CC(=O)[O-])SCC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000736550553 575982712 /nfs/dbraw/zinc/98/27/12/575982712.db2.gz GEOUDVOZYLSQFY-LLVKDONJSA-N -1 0 340.832 3.183 20 30 EGEDRM C[C@H](CC(=O)[O-])S[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000736551397 575983151 /nfs/dbraw/zinc/98/31/51/575983151.db2.gz KJMZNTPGPWJCDH-BDAKNGLRSA-N -1 0 326.805 3.135 20 30 EGEDRM C[C@@H]1CN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)C[C@H](c2ccccc2)O1 ZINC000736806022 576036015 /nfs/dbraw/zinc/03/60/15/576036015.db2.gz GUCTZRLHTSXCDN-NIKGAXFTSA-N -1 0 336.391 3.146 20 30 EGEDRM CCOc1cccc(/C=N\[C@H](CC(=O)[O-])c2ccc(OC)cc2)c1O ZINC000737211487 576136748 /nfs/dbraw/zinc/13/67/48/576136748.db2.gz UXENFYMKLSZHSO-SDLDRHLBSA-N -1 0 343.379 3.434 20 30 EGEDRM Cc1nc(-c2nnn[n-]2)c(N=NC2CCC[C@@H]2c2ccc(C)cc2)o1 ZINC000737329445 576207242 /nfs/dbraw/zinc/20/72/42/576207242.db2.gz JWSHJHKCXRVWRU-CYBMUJFWSA-N -1 0 337.387 3.207 20 30 EGEDRM CN(Cc1ccc(NC(=S)Nc2ccccc2C#N)cc1)C(=O)[O-] ZINC000737485803 576236992 /nfs/dbraw/zinc/23/69/92/576236992.db2.gz GOGQVECKJJANAS-UHFFFAOYSA-N -1 0 340.408 3.477 20 30 EGEDRM COc1cc(/C=C/C(=O)[O-])ccc1OCc1ccc(OCC#N)cc1 ZINC000737879654 576269234 /nfs/dbraw/zinc/26/92/34/576269234.db2.gz SVDIMGVDLWTWAY-WEVVVXLNSA-N -1 0 339.347 3.274 20 30 EGEDRM COc1ccc([C@@H](CC(=O)[O-])/N=C\c2ccccc2O)cc1OC ZINC000737945980 576275231 /nfs/dbraw/zinc/27/52/31/576275231.db2.gz FPLPYYGTOKERNU-AXLWCPOOSA-N -1 0 329.352 3.044 20 30 EGEDRM COc1ccc(/C=C(/C(=O)[O-])c2ccncc2)cc1OCCCC#N ZINC000737987416 576278138 /nfs/dbraw/zinc/27/81/38/576278138.db2.gz RUPJIDSRUSEIOI-FOWTUZBSSA-N -1 0 338.363 3.398 20 30 EGEDRM N#Cc1ccc(NC(=S)NC2CCC(C(=O)[O-])CC2)cc1Cl ZINC000738431145 576325278 /nfs/dbraw/zinc/32/52/78/576325278.db2.gz QFIPXHYXZGJXRT-UHFFFAOYSA-N -1 0 337.832 3.141 20 30 EGEDRM Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000738474454 576329520 /nfs/dbraw/zinc/32/95/20/576329520.db2.gz LXLMOBKJOQDANF-HZPDHXFCSA-N -1 0 336.347 3.318 20 30 EGEDRM Cc1nnc(-c2cccc(C#N)c2)n1Cc1ccc(F)cc1C(=O)[O-] ZINC000738934360 576369730 /nfs/dbraw/zinc/36/97/30/576369730.db2.gz PMJMBLKQUARPTA-UHFFFAOYSA-N -1 0 336.326 3.011 20 30 EGEDRM N#CC1(C(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)CCC1 ZINC000739067092 576376628 /nfs/dbraw/zinc/37/66/28/576376628.db2.gz WWCBDCVGGGCTBT-UHFFFAOYSA-N -1 0 344.370 3.417 20 30 EGEDRM N#CCN(CC(=O)[O-])C(=O)c1ccc(-c2ccc(Cl)cc2)cc1F ZINC000739087012 576377305 /nfs/dbraw/zinc/37/73/05/576377305.db2.gz JSIGGVIMTCBBJW-UHFFFAOYSA-N -1 0 346.745 3.196 20 30 EGEDRM N#CCOc1ccc(CC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)cc1 ZINC000739086643 576377383 /nfs/dbraw/zinc/37/73/83/576377383.db2.gz BJRVBRQIKCFINK-UHFFFAOYSA-N -1 0 344.754 3.122 20 30 EGEDRM N#CCSc1ccccc1C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000739091857 576377516 /nfs/dbraw/zinc/37/75/16/576377516.db2.gz NZAWUFLCLXGLCB-UHFFFAOYSA-N -1 0 341.392 3.322 20 30 EGEDRM N#Cc1ccc([C@@H](OC(=O)C[C@@H]2CCc3ccccc3C2)C(=O)[O-])cc1 ZINC000739111422 576378479 /nfs/dbraw/zinc/37/84/79/576378479.db2.gz VLYKGZAETQNIMF-FOIQADDNSA-N -1 0 349.386 3.422 20 30 EGEDRM N#Cc1ccc([C@@H](Nc2cccc(NC(=O)C3CC3)c2)C(=O)[O-])cc1 ZINC000739109907 576378503 /nfs/dbraw/zinc/37/85/03/576378503.db2.gz OEBCDXIXOCSHSG-QGZVFWFLSA-N -1 0 335.363 3.145 20 30 EGEDRM N#Cc1ccc([C@@H](OC(=O)c2ccc3ccccc3n2)C(=O)[O-])cc1 ZINC000739115396 576378684 /nfs/dbraw/zinc/37/86/84/576378684.db2.gz QBUQULMYGVSBBU-QGZVFWFLSA-N -1 0 332.315 3.089 20 30 EGEDRM N#Cc1ccc(SCC(=O)OCc2ccc(C(=O)[O-])cc2)cc1 ZINC000739132350 576379330 /nfs/dbraw/zinc/37/93/30/576379330.db2.gz LACPZHGAXFEUTA-UHFFFAOYSA-N -1 0 327.361 3.092 20 30 EGEDRM N#Cc1ccccc1NC(=S)Nc1ccc(CNC(=O)[O-])cc1 ZINC000739147611 576379763 /nfs/dbraw/zinc/37/97/63/576379763.db2.gz XGHZUGKCFHIFIC-UHFFFAOYSA-N -1 0 326.381 3.135 20 30 EGEDRM Cc1cc(O)cc2c1C(=O)C(=N[N-]c1cccc(C(F)(F)F)n1)O2 ZINC000739421314 576409754 /nfs/dbraw/zinc/40/97/54/576409754.db2.gz HURIYHQIENKXTN-UHFFFAOYSA-N -1 0 337.257 3.115 20 30 EGEDRM O=C([O-])CN1C/C(=C\c2cccs2)C(=O)/C(=C\c2cccs2)C1 ZINC000739799501 576506547 /nfs/dbraw/zinc/50/65/47/576506547.db2.gz RKQFMZSENHSRRR-HAKHBUOSSA-N -1 0 345.445 3.246 20 30 EGEDRM Cc1nc(Cl)cc(NN=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])n1 ZINC000741764222 576718512 /nfs/dbraw/zinc/71/85/12/576718512.db2.gz XRYVMTYIKSEKAR-UHFFFAOYSA-N -1 0 342.142 3.152 20 30 EGEDRM N#Cc1ccc(F)c(C[NH2+]Cc2cccc(Br)c2[O-])c1 ZINC000742381668 576776433 /nfs/dbraw/zinc/77/64/33/576776433.db2.gz BUYZVPGFEAWRTP-UHFFFAOYSA-N -1 0 335.176 3.455 20 30 EGEDRM COc1c(O)cccc1/C=C/C(=O)c1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000745021112 576838665 /nfs/dbraw/zinc/83/86/65/576838665.db2.gz MJJBJZQDNUSNMW-BZYZDCJZSA-N -1 0 342.347 3.149 20 30 EGEDRM Cc1nc(NC(=O)c2cccc(C(=O)[O-])c2)sc1SCC#N ZINC000821175977 598142589 /nfs/dbraw/zinc/14/25/89/598142589.db2.gz DBBOEVIGTZFBGL-UHFFFAOYSA-N -1 0 333.394 3.018 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000819849172 598221695 /nfs/dbraw/zinc/22/16/95/598221695.db2.gz XYJDCBWDGLJLLS-GFCCVEGCSA-N -1 0 334.681 3.302 20 30 EGEDRM C[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1cc(F)c(Cl)cc1Cl ZINC000820113510 598222365 /nfs/dbraw/zinc/22/23/65/598222365.db2.gz AVZBQXUIMCSRHU-NXSYQRQQSA-N -1 0 347.173 3.314 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1ccc(Oc2ccccc2)cc1 ZINC000819841868 598226009 /nfs/dbraw/zinc/22/60/09/598226009.db2.gz GCOMPXFNAKZSEH-IBGZPJMESA-N -1 0 338.363 3.100 20 30 EGEDRM C[C@@H](OC(=O)[C@](C)(C#N)CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000820161437 598228146 /nfs/dbraw/zinc/22/81/46/598228146.db2.gz PCWWDBSZCMROKS-OTYXRUKQSA-N -1 0 345.273 3.194 20 30 EGEDRM C#CCOc1ccc(/C=C/c2ncc(C(=O)[O-])s2)cc1OCC ZINC000110309177 599907451 /nfs/dbraw/zinc/90/74/51/599907451.db2.gz GDHUTEGRDLSUKH-SOFGYWHQSA-N -1 0 329.377 3.422 20 30 EGEDRM CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000826951779 600914205 /nfs/dbraw/zinc/91/42/05/600914205.db2.gz PHZIFLAFRKLAOI-SJORKVTESA-N -1 0 328.412 3.186 20 30 EGEDRM Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCC(=O)[O-] ZINC000818849194 601029921 /nfs/dbraw/zinc/02/99/21/601029921.db2.gz DMHAEVIANYLDOH-UHFFFAOYSA-N -1 0 339.351 3.255 20 30 EGEDRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)CCc1ccc(C#N)cc1)c1ccccc1 ZINC000826031315 601294936 /nfs/dbraw/zinc/29/49/36/601294936.db2.gz LXFQGGVYZBMHMJ-AUUYWEPGSA-N -1 0 336.391 3.069 20 30 EGEDRM CN(Cc1nc2c(s1)CCCC2)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830874665 601323529 /nfs/dbraw/zinc/32/35/29/601323529.db2.gz HUJMHZPZERSQFX-KRWDZBQOSA-N -1 0 341.436 3.151 20 30 EGEDRM Cc1cccc(C)c1N=C1NC(=O)/C(=C/c2ccc(C(=O)[O-])[nH]2)S1 ZINC000832964668 601330799 /nfs/dbraw/zinc/33/07/99/601330799.db2.gz ONKZXJMTYGJVSR-JYRVWZFOSA-N -1 0 341.392 3.221 20 30 EGEDRM O=C([O-])c1ccc(C=NNc2ccc(Br)cc2F)[nH]1 ZINC000833312686 601337587 /nfs/dbraw/zinc/33/75/87/601337587.db2.gz SYSIPONPWSFQBU-UHFFFAOYSA-N -1 0 326.125 3.061 20 30 EGEDRM Cc1nn(CCC(=O)[O-])c(C)c1C=NNc1ccc(Cl)c(F)c1 ZINC000833016454 601338221 /nfs/dbraw/zinc/33/82/21/601338221.db2.gz XLNJASVLHXRMPR-UHFFFAOYSA-N -1 0 338.770 3.213 20 30 EGEDRM N#Cc1cccc([C@@H](OC(=O)c2cc(Cl)ccc2F)C(=O)[O-])c1 ZINC000833077615 601346474 /nfs/dbraw/zinc/34/64/74/601346474.db2.gz XODNOQNARURJTP-CQSZACIVSA-N -1 0 333.702 3.333 20 30 EGEDRM N#Cc1cccc([C@@H](OC(=O)c2ccc3ccccc3c2O)C(=O)[O-])c1 ZINC000833077186 601347029 /nfs/dbraw/zinc/34/70/29/601347029.db2.gz MJTVWUTVGRINND-GOSISDBHSA-N -1 0 347.326 3.400 20 30 EGEDRM C[C@H](Cc1ccc(F)cc1)C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000827586330 601350881 /nfs/dbraw/zinc/35/08/81/601350881.db2.gz KRIBECKZWOOOIA-PXAZEXFGSA-N -1 0 341.338 3.245 20 30 EGEDRM CC[C@@H](Cc1ccccc1)C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000828901171 601352803 /nfs/dbraw/zinc/35/28/03/601352803.db2.gz QIYYLVXMZYUEJP-FUHWJXTLSA-N -1 0 337.375 3.496 20 30 EGEDRM Cc1c(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cnc2ccccc12 ZINC000832853535 601355860 /nfs/dbraw/zinc/35/58/60/601355860.db2.gz IWDHDERETJDPMJ-SFHVURJKSA-N -1 0 346.342 3.398 20 30 EGEDRM Cc1csc([C@H](C#N)C(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)n1 ZINC000832988916 601499557 /nfs/dbraw/zinc/49/95/57/601499557.db2.gz OGKVBEZWZXJRPM-CYBMUJFWSA-N -1 0 344.392 3.022 20 30 EGEDRM CN(Cc1ccc(NC(=O)c2c(F)cc(C#N)cc2F)cc1)C(=O)[O-] ZINC000830836277 601678663 /nfs/dbraw/zinc/67/86/63/601678663.db2.gz SBEXPFJTDMHWQC-UHFFFAOYSA-N -1 0 345.305 3.199 20 30 EGEDRM C[C@@H]1CN(C(=O)Nc2cccc(C#Cc3ccccc3)c2)C[C@H]1C(=O)[O-] ZINC000828377462 601775626 /nfs/dbraw/zinc/77/56/26/601775626.db2.gz JPKUTJNQPHOKNX-DNVCBOLYSA-N -1 0 348.402 3.271 20 30 EGEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)N1C[C@H](C)[C@H](C(=O)[O-])C1 ZINC000827219057 601792391 /nfs/dbraw/zinc/79/23/91/601792391.db2.gz WDILBPVJIWXOAJ-YNEHKIRRSA-N -1 0 347.440 3.265 20 30 EGEDRM N#CCSc1ccccc1NC(=O)CNc1cccc(C(=O)[O-])c1 ZINC000833069379 601812684 /nfs/dbraw/zinc/81/26/84/601812684.db2.gz VHILJHGRVHAXAR-UHFFFAOYSA-N -1 0 341.392 3.051 20 30 EGEDRM C[C@@H](Oc1ccc(/C=C2/COc3ccc(F)cc3C2=O)cc1)C(=O)[O-] ZINC000794706543 602110638 /nfs/dbraw/zinc/11/06/38/602110638.db2.gz GHEOMZNMPHFFNE-JYVXZMADSA-N -1 0 342.322 3.336 20 30 EGEDRM COc1ccc2c(c1)O/C(=C\c1ccc(O[C@@H](C)C(=O)[O-])cc1)C2=O ZINC000794698786 602112234 /nfs/dbraw/zinc/11/22/34/602112234.db2.gz BXUSTINIEFKOHX-PKSBALPTSA-N -1 0 340.331 3.163 20 30 EGEDRM Cc1ccc(C(=O)[O-])cc1NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000832918516 602127117 /nfs/dbraw/zinc/12/71/17/602127117.db2.gz JIGXGHJHXGKXQV-UHFFFAOYSA-N -1 0 334.335 3.227 20 30 EGEDRM Cc1cnn(-c2ccc(C(=O)[O-])cc2NC(=O)c2cccc(C#N)c2)c1 ZINC000833754360 604486969 /nfs/dbraw/zinc/48/69/69/604486969.db2.gz MVMKACQORKZBOD-UHFFFAOYSA-N -1 0 346.346 3.003 20 30 EGEDRM C=CCNc1nc(C(=O)O[C@H](C)c2cc(C)c(C(=O)[O-])o2)cs1 ZINC000825692143 604552967 /nfs/dbraw/zinc/55/29/67/604552967.db2.gz KKOQHYVLZQATEW-SECBINFHSA-N -1 0 336.369 3.259 20 30 EGEDRM CC(C)c1nc(C(=O)OCc2cccc(C(=O)[O-])c2C#N)cs1 ZINC000833511982 604583084 /nfs/dbraw/zinc/58/30/84/604583084.db2.gz GRMNGYCRARFMSE-UHFFFAOYSA-N -1 0 330.365 3.193 20 30 EGEDRM C[C@@H](COc1ccccc1)C(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC000833520087 604584377 /nfs/dbraw/zinc/58/43/77/604584377.db2.gz ROXGUAYNYJUDQD-ZDUSSCGKSA-N -1 0 339.347 3.015 20 30 EGEDRM N#Cc1ccc([C@@H](OC(=O)/C=C\SCc2ccco2)C(=O)[O-])cc1 ZINC000833073205 604601052 /nfs/dbraw/zinc/60/10/52/604601052.db2.gz XFYHQAYKEULURY-DZFYGRHCSA-N -1 0 343.360 3.267 20 30 EGEDRM CC(C)CCOC1CCN(Cc2cccc(C(=O)[O-])c2C#N)CC1 ZINC000833484066 604604622 /nfs/dbraw/zinc/60/46/22/604604622.db2.gz KRWXRXOLPVHMBN-UHFFFAOYSA-N -1 0 330.428 3.284 20 30 EGEDRM CC(C)c1csc([C@H](C#N)C(=O)Nc2ccccc2C(=O)[O-])n1 ZINC000833511369 604624546 /nfs/dbraw/zinc/62/45/46/604624546.db2.gz NZJOUXRLHIFSSS-LLVKDONJSA-N -1 0 329.381 3.211 20 30 EGEDRM CN(CCC#N)c1cc(C(=O)[O-])nc2ccc(Br)cc21 ZINC000830727265 604627647 /nfs/dbraw/zinc/62/76/47/604627647.db2.gz PMQIBESNVTWKOQ-UHFFFAOYSA-N -1 0 334.173 3.045 20 30 EGEDRM CC(C)Cc1nc(C#N)c(N=NC(C)c2ccc(C(=O)[O-])cc2)o1 ZINC000825808718 604639847 /nfs/dbraw/zinc/63/98/47/604639847.db2.gz AERJASJDFPUJFZ-UHFFFAOYSA-N -1 0 326.356 3.279 20 30 EGEDRM CC(=NNc1nc(=O)c2ccccc2[nH]1)[C@@H](C)CCCCC(=O)[O-] ZINC000814869336 604640794 /nfs/dbraw/zinc/64/07/94/604640794.db2.gz XEEJFURRMNRODZ-NSHDSACASA-N -1 0 330.388 3.404 20 30 EGEDRM CCc1cc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)oc1CC ZINC000830213730 604697383 /nfs/dbraw/zinc/69/73/83/604697383.db2.gz BTZKIMMNRYLMSD-INIZCTEOSA-N -1 0 327.336 3.259 20 30 EGEDRM C[C@H](Oc1ccc(/C=C\C(=O)c2ccc(Cl)nc2)cc1)C(=O)[O-] ZINC000794703590 604743748 /nfs/dbraw/zinc/74/37/48/604743748.db2.gz TYSNZQUCNCHAIV-OHYQPGSNSA-N -1 0 331.755 3.483 20 30 EGEDRM O=C([O-])COc1ccc(C(=O)OCC#Cc2cccc(Cl)c2)cc1 ZINC000833253327 604838292 /nfs/dbraw/zinc/83/82/92/604838292.db2.gz CJBAJPJNPHNCRP-UHFFFAOYSA-N -1 0 344.750 3.012 20 30 EGEDRM O=C([O-])c1ccc(C(=O)OCC#Cc2cccc(Cl)c2)cc1F ZINC000833350025 604841144 /nfs/dbraw/zinc/84/11/44/604841144.db2.gz SWJFFWXFFJVQFN-UHFFFAOYSA-N -1 0 332.714 3.386 20 30 EGEDRM C#CCOc1cccc([C@@H](C)OC(=O)c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000825631783 604883006 /nfs/dbraw/zinc/88/30/06/604883006.db2.gz MFLOIJVZDMTCDK-GFCCVEGCSA-N -1 0 342.322 3.454 20 30 EGEDRM C[C@H](C(=O)[O-])n1cccc1C=NNc1cccc(Br)c1 ZINC000833405578 605038732 /nfs/dbraw/zinc/03/87/32/605038732.db2.gz FUFPBMVBANQLTP-SNVBAGLBSA-N -1 0 336.189 3.342 20 30 EGEDRM C=CCOc1cccc(N[C@@H](C(=O)OC)c2cccc(C(=O)[O-])c2)c1 ZINC000833379099 605193547 /nfs/dbraw/zinc/19/35/47/605193547.db2.gz ZQIRGWCTXHDLHI-QGZVFWFLSA-N -1 0 341.363 3.276 20 30 EGEDRM C=CCCC[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1C(=O)[O-] ZINC000833373841 605250217 /nfs/dbraw/zinc/25/02/17/605250217.db2.gz FKTDEBMOFYIVKZ-JTQLQIEISA-N -1 0 331.821 3.061 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@H]1CCCCS1 ZINC000833379390 605293313 /nfs/dbraw/zinc/29/33/13/605293313.db2.gz BSOSHCROYADKGW-CQSZACIVSA-N -1 0 336.409 3.313 20 30 EGEDRM C=CCc1cc(-c2nc3ccc(C(=O)[O-])cc3n2C)cc(OC)c1O ZINC000833378328 605320248 /nfs/dbraw/zinc/32/02/48/605320248.db2.gz MCDZNAVDKNACIC-UHFFFAOYSA-N -1 0 338.363 3.381 20 30 EGEDRM C=CCNc1nnc(S[C@H](Cc2ccc(F)cc2)C(=O)[O-])s1 ZINC000833375632 605334315 /nfs/dbraw/zinc/33/43/15/605334315.db2.gz HBAJXXXOPNDNNL-LLVKDONJSA-N -1 0 339.417 3.063 20 30 EGEDRM C[C@H](Oc1ccc(CNc2ccc(F)cc2OCC#N)cc1)C(=O)[O-] ZINC000833540504 605550169 /nfs/dbraw/zinc/55/01/69/605550169.db2.gz LISJRJQQJOVMFY-LBPRGKRZSA-N -1 0 344.342 3.192 20 30 EGEDRM C[C@H](Sc1ccccc1C(=O)N1CCC(C)(C#N)CC1)C(=O)[O-] ZINC000833545642 605765958 /nfs/dbraw/zinc/76/59/58/605765958.db2.gz LMSPXMUGKWHWNS-LBPRGKRZSA-N -1 0 332.425 3.018 20 30 EGEDRM COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)[O-])c(OC)c2)cc1 ZINC000007742041 1291088048 /nfs/dbraw/zinc/08/80/48/1291088048.db2.gz FNJCBIDSJKQBJO-YCRREMRBSA-N -1 0 342.347 3.063 20 30 EGEDRM CCn1cc(C(=O)[N-]S(=O)(=O)c2ccccc2)c2ccccc21 ZINC000042232315 1291437166 /nfs/dbraw/zinc/43/71/66/1291437166.db2.gz XSNBGDBVAALSEP-UHFFFAOYSA-N -1 0 328.393 3.355 20 30 EGEDRM Cc1cccc(O[C@@H](C)C(=O)[N-]S(=O)(=O)c2cccs2)c1 ZINC000042243266 1291437400 /nfs/dbraw/zinc/43/74/00/1291437400.db2.gz LBAFBCQKRIDVPX-NSHDSACASA-N -1 0 325.411 3.169 20 30 EGEDRM CCCCS(=O)(=O)[N-]C(=O)c1cc(Br)ccc1F ZINC000042343183 1291441368 /nfs/dbraw/zinc/44/13/68/1291441368.db2.gz XFNZNSRFJGFGLL-UHFFFAOYSA-N -1 0 338.198 3.023 20 30 EGEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N/C2CCC3(CC2)OCCO3)c1[O-] ZINC000044011838 1291467649 /nfs/dbraw/zinc/46/76/49/1291467649.db2.gz ORXZJMBVKORFBM-RQZCQDPDSA-N -1 0 340.763 3.058 20 30 EGEDRM Cc1cccc(OCC(=O)[N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000046929291 1291557966 /nfs/dbraw/zinc/55/79/66/1291557966.db2.gz BMXZDQWAEXWODS-UHFFFAOYSA-N -1 0 333.409 3.336 20 30 EGEDRM COCc1ccccc1C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000048418257 1291604090 /nfs/dbraw/zinc/60/40/90/1291604090.db2.gz FBBJEWOFHRRDDZ-UHFFFAOYSA-N -1 0 339.800 3.180 20 30 EGEDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)[C@@H](C)Oc1cccc(F)c1 ZINC000048425928 1291604225 /nfs/dbraw/zinc/60/42/25/1291604225.db2.gz PIEKVTUZAYVYQD-GFCCVEGCSA-N -1 0 337.372 3.247 20 30 EGEDRM CS(=O)(=O)[N-]C(=O)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000048480595 1291606653 /nfs/dbraw/zinc/60/66/53/1291606653.db2.gz DBNMWVNFPKBGIR-WDEREUQCSA-N -1 0 336.438 3.262 20 30 EGEDRM Cc1c(C(=O)[N-]S(=O)(=O)c2ccc(C)c(C)c2)cnn1C(C)(C)C ZINC000048474449 1291606892 /nfs/dbraw/zinc/60/68/92/1291606892.db2.gz JFDNHKGWOBUQLP-UHFFFAOYSA-N -1 0 349.456 3.257 20 30 EGEDRM COc1ccccc1C=C(C(=O)[N-]S(C)(=O)=O)c1ccccc1 ZINC000048478975 1291606920 /nfs/dbraw/zinc/60/69/20/1291606920.db2.gz QHHXOAYKQFDJPJ-QINSGFPZSA-N -1 0 331.393 3.152 20 30 EGEDRM CCCCS(=O)(=O)[N-]C(=O)CCC(=O)c1cc(C)ccc1C ZINC000048552134 1291610971 /nfs/dbraw/zinc/61/09/71/1291610971.db2.gz OOAOIAQSMDIJDI-UHFFFAOYSA-N -1 0 325.430 3.353 20 30 EGEDRM CC(C)S(=O)(=O)[N-]C(=O)[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000050206858 1291641905 /nfs/dbraw/zinc/64/19/05/1291641905.db2.gz FGTZWKRWQOGRBH-RYUDHWBXSA-N -1 0 346.246 3.247 20 30 EGEDRM O=C([N-]S(=O)(=O)N1CCCCC1)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000052794036 1291711970 /nfs/dbraw/zinc/71/19/70/1291711970.db2.gz KCXNHLSCJBPJSR-QWRGUYRKSA-N -1 0 342.383 3.042 20 30 EGEDRM O=C(CCSc1ccc(Cl)cc1)[N-]S(=O)(=O)N1CCCC1 ZINC000052793132 1291712724 /nfs/dbraw/zinc/71/27/24/1291712724.db2.gz OWFSACSQYGSYDV-UHFFFAOYSA-N -1 0 348.877 3.119 20 30 EGEDRM Cc1ccc(O[C@@H](C)C(=O)[N-]S(=O)(=O)C2CCCCC2)cc1 ZINC000058074845 1291876656 /nfs/dbraw/zinc/87/66/56/1291876656.db2.gz IBBURJDUVIXEAG-ZDUSSCGKSA-N -1 0 325.430 3.381 20 30 EGEDRM Cc1cccc(C)c1OCC(=O)[N-]S(=O)(=O)C1CCCCC1 ZINC000058072229 1291876755 /nfs/dbraw/zinc/87/67/55/1291876755.db2.gz PBGMXYUCHSJVAS-UHFFFAOYSA-N -1 0 325.430 3.301 20 30 EGEDRM O=C(CC1CCCCC1)[N-]S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000058150034 1291880894 /nfs/dbraw/zinc/88/08/94/1291880894.db2.gz LTVIVXCYMJTADU-UHFFFAOYSA-N -1 0 330.837 3.492 20 30 EGEDRM C[C@@H](Oc1ccc(F)c(F)c1)C(=O)[N-]S(=O)(=O)c1ccccc1 ZINC000062673869 1291996531 /nfs/dbraw/zinc/99/65/31/1291996531.db2.gz RERMZWYSMNJHQF-SNVBAGLBSA-N -1 0 341.335 3.078 20 30 EGEDRM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)c2cc(C(C)(C)C)nn2C)c1 ZINC000069533038 1292244565 /nfs/dbraw/zinc/24/45/65/1292244565.db2.gz WUYVOIILZYOFEH-UHFFFAOYSA-N -1 0 349.456 3.028 20 30 EGEDRM O=C(Cc1cccc(Cl)c1)[N-]S(=O)(=O)CCc1ccccc1 ZINC000070036192 1292254416 /nfs/dbraw/zinc/25/44/16/1292254416.db2.gz APBJAIPSAHHVQL-UHFFFAOYSA-N -1 0 337.828 3.412 20 30 EGEDRM CCOc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(C)c(C)c2)cc1 ZINC000071918968 1292271338 /nfs/dbraw/zinc/27/13/38/1292271338.db2.gz VVXNHOBOBMBXTI-UHFFFAOYSA-N -1 0 333.409 3.396 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2C)c(Br)c1 ZINC000075040593 1292380776 /nfs/dbraw/zinc/38/07/76/1292380776.db2.gz FEPRFBKKIGJDQT-RKDXNWHRSA-N -1 0 332.219 3.059 20 30 EGEDRM CCO[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000075778107 1292411608 /nfs/dbraw/zinc/41/16/08/1292411608.db2.gz PYTHENCRTRRFDY-WPRPVWTQSA-N -1 0 338.212 3.064 20 30 EGEDRM C=CCOCCCC(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000076755743 1292440438 /nfs/dbraw/zinc/44/04/38/1292440438.db2.gz DNGSTODPIOSPBB-UHFFFAOYSA-N -1 0 333.409 3.468 20 30 EGEDRM CC(C)n1cc(/C=C2\CCCc3cc(C(=O)[O-])ccc3C2=O)nn1 ZINC000828234765 1292444847 /nfs/dbraw/zinc/44/48/47/1292444847.db2.gz ZIAMTLIEFRLSKQ-UKTHLTGXSA-N -1 0 325.368 3.160 20 30 EGEDRM CC(C)c1nnc(CCC(=O)[N-]S(=O)(=O)C=Cc2ccccc2)o1 ZINC000080251417 1292591697 /nfs/dbraw/zinc/59/16/97/1292591697.db2.gz JJKWIXSGIIOFBA-ZHACJKMWSA-N -1 0 349.412 3.083 20 30 EGEDRM CCCCO[C@H](C)C(=O)[N-]S(=O)(=O)Cc1ccccc1Cl ZINC000083791393 1292690639 /nfs/dbraw/zinc/69/06/39/1292690639.db2.gz ITTCCWHRTLHILV-LLVKDONJSA-N -1 0 333.837 3.332 20 30 EGEDRM N#Cc1csc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000083939792 1292693375 /nfs/dbraw/zinc/69/33/75/1292693375.db2.gz LZDCMWXYAIIYMN-UHFFFAOYSA-N -1 0 344.776 3.106 20 30 EGEDRM Cc1cccc(CSCC(=O)[N-]S(=O)(=O)C2CCCC2)c1 ZINC000086054767 1292727303 /nfs/dbraw/zinc/72/73/03/1292727303.db2.gz DXQIKKUCMYXXLO-UHFFFAOYSA-N -1 0 327.471 3.457 20 30 EGEDRM CCOC(=O)[C@H]1CCC(N=Nc2ccc(C(=O)[O-])c(F)c2)[C@H](C)C1 ZINC000835009736 1293186710 /nfs/dbraw/zinc/18/67/10/1293186710.db2.gz BUNAXLIHVIVQRB-MNOVXSKESA-N -1 0 336.363 3.291 20 30 EGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000835039130 1293192269 /nfs/dbraw/zinc/19/22/69/1293192269.db2.gz BFCSLJPIELGWQY-CYBMUJFWSA-N -1 0 341.367 3.203 20 30 EGEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1cc2cccnc2s1 ZINC000835062700 1293196987 /nfs/dbraw/zinc/19/69/87/1293196987.db2.gz WMWVVUKYFLVMTD-CYBMUJFWSA-N -1 0 327.409 3.068 20 30 EGEDRM C=CCC1(C(=O)[N-]S(=O)(=O)Cc2cc(C)cc(C)c2)CCCC1 ZINC000835402491 1293283721 /nfs/dbraw/zinc/28/37/21/1293283721.db2.gz RGNAMUVUVQFKNT-UHFFFAOYSA-N -1 0 335.469 3.386 20 30 EGEDRM C=CCC1(C(=O)[N-]S(=O)(=O)Cc2c(C)cccc2C)CCCC1 ZINC000835478360 1293299589 /nfs/dbraw/zinc/29/95/89/1293299589.db2.gz OIMDLHNYILNCOF-UHFFFAOYSA-N -1 0 335.469 3.386 20 30 EGEDRM CC(C)NC(=O)C(C#N)=C([O-])c1ccc(OCC2CCCCC2)cc1 ZINC000121370824 1293367699 /nfs/dbraw/zinc/36/76/99/1293367699.db2.gz OFEYYYLGUCAICS-SFHVURJKSA-N -1 0 342.439 3.493 20 30 EGEDRM CCc1cccc(S(=O)(=O)[N-]c2ccc(F)cc2OCC#N)c1 ZINC000122355965 1293410044 /nfs/dbraw/zinc/41/00/44/1293410044.db2.gz KNZLDKLQWZQAEA-UHFFFAOYSA-N -1 0 334.372 3.091 20 30 EGEDRM C=CCO[N-]C(=O)C(=O)Nc1cc(F)c(SC(C)(C)C)c(F)c1 ZINC000835970815 1293412571 /nfs/dbraw/zinc/41/25/71/1293412571.db2.gz ZAOGNYCLRXBVEG-UHFFFAOYSA-N -1 0 344.383 3.028 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cnc([C@H]2CCCO2)s1 ZINC000127674943 1293570459 /nfs/dbraw/zinc/57/04/59/1293570459.db2.gz PWEOBYQLBCECDA-CHWSQXEVSA-N -1 0 349.456 3.014 20 30 EGEDRM O=C(Nc1n[nH]c(C(F)(F)F)n1)c1cc(C(F)(F)F)ccc1F ZINC000130701735 1293665662 /nfs/dbraw/zinc/66/56/62/1293665662.db2.gz UGFJUSFPVMFLIW-UHFFFAOYSA-N -1 0 342.174 3.234 20 30 EGEDRM COCc1c(C([O-])=C(C#N)C(=O)NC(C)C)sc2cccc(F)c21 ZINC000130889003 1293672075 /nfs/dbraw/zinc/67/20/75/1293672075.db2.gz WVASMJUWOICZBY-SNVBAGLBSA-N -1 0 348.399 3.034 20 30 EGEDRM COCc1c(C([O-])=C(C#N)C(=O)NC(C)C)sc2cccc(F)c21 ZINC000130888775 1293672113 /nfs/dbraw/zinc/67/21/13/1293672113.db2.gz WVASMJUWOICZBY-JTQLQIEISA-N -1 0 348.399 3.034 20 30 EGEDRM CNC(=O)C(C#N)=C([O-])c1cc(C)n(-c2ccc(C(C)C)cc2)c1C ZINC000133365489 1293742798 /nfs/dbraw/zinc/74/27/98/1293742798.db2.gz REUDXCFUFUAORE-SFHVURJKSA-N -1 0 337.423 3.286 20 30 EGEDRM CC(=Cc1cccc(Cl)c1)C(O)=C(C#N)C(=O)c1nccn1C ZINC000134113933 1293763162 /nfs/dbraw/zinc/76/31/62/1293763162.db2.gz JWHQCHWWIUZECF-KOTGUFOOSA-N -1 0 327.771 3.069 20 30 EGEDRM CC(=O)N(c1nc(/C=C/C(=O)c2ccc(F)cc2[O-])cs1)C1CC1 ZINC000156720916 1294157183 /nfs/dbraw/zinc/15/71/83/1294157183.db2.gz MEJPZRALDBHEON-XVNBXDOJSA-N -1 0 346.383 3.399 20 30 EGEDRM COc1cc(/C=C/C(=O)c2ccccc2)ccc1OCCC(=O)[O-] ZINC000157013798 1294166152 /nfs/dbraw/zinc/16/61/52/1294166152.db2.gz SAUSNQHGQHSSFW-VQHVLOKHSA-N -1 0 326.348 3.445 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)Cc2cc(F)ccc2Br)c1 ZINC000157203766 1294171051 /nfs/dbraw/zinc/17/10/51/1294171051.db2.gz HRAMHKOGCXWUKL-UHFFFAOYSA-N -1 0 349.159 3.347 20 30 EGEDRM C=CCOc1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc1Cl ZINC000171157429 1294396755 /nfs/dbraw/zinc/39/67/55/1294396755.db2.gz OPKNCUNADZSJNP-YXMMZVCTSA-N -1 0 346.766 3.133 20 30 EGEDRM COCc1cccc(/C=C/C(=O)c2cccc(OCC(=O)[O-])c2)c1 ZINC000172816030 1294445697 /nfs/dbraw/zinc/44/56/97/1294445697.db2.gz VPNVVZHTCAMXAA-CMDGGOBGSA-N -1 0 326.348 3.193 20 30 EGEDRM C[C@@H](CC(=O)Nc1cc(C#N)ccc1[O-])C(=O)c1cccc(F)c1 ZINC000176405281 1294603165 /nfs/dbraw/zinc/60/31/65/1294603165.db2.gz STRTWGBOPOLGLE-NSHDSACASA-N -1 0 326.327 3.251 20 30 EGEDRM COCCn1cc(C(=O)Nc2cc(C#N)ccc2[O-])c2ccccc21 ZINC000176406156 1294603280 /nfs/dbraw/zinc/60/32/80/1294603280.db2.gz DVSRFFZIAUVEQH-UHFFFAOYSA-N -1 0 335.363 3.117 20 30 EGEDRM CSc1ccc(C(=O)Nc2cc(C#N)ccc2[O-])cc1[N+](=O)[O-] ZINC000176391866 1294604093 /nfs/dbraw/zinc/60/40/93/1294604093.db2.gz XIJZMRTXCMFWFG-UHFFFAOYSA-N -1 0 329.337 3.146 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)CCOc2ccc(F)cc2Cl)c1 ZINC000179736558 1294821159 /nfs/dbraw/zinc/82/11/59/1294821159.db2.gz LCSNGOQBNHGVRK-UHFFFAOYSA-N -1 0 334.734 3.464 20 30 EGEDRM C=C[C@H](CC(=O)[N-]S(=O)(=O)c1ccc(CC)cc1)c1ccccc1 ZINC000184168290 1295173857 /nfs/dbraw/zinc/17/38/57/1295173857.db2.gz UHXBJFIBMSRTPO-MRXNPFEDSA-N -1 0 343.448 3.414 20 30 EGEDRM CN1C(=O)CCc2cc(/C=C/C(=O)c3ccc(F)cc3[O-])ccc21 ZINC000187644650 1295405970 /nfs/dbraw/zinc/40/59/70/1295405970.db2.gz PAKFSBADXRUKQD-FPYGCLRLSA-N -1 0 325.339 3.336 20 30 EGEDRM CCCCCCCCCC(=O)[N-]S(=O)(=O)c1ncccc1F ZINC000190403174 1295588795 /nfs/dbraw/zinc/58/87/95/1295588795.db2.gz QYZOATVBVZOXOX-UHFFFAOYSA-N -1 0 330.425 3.166 20 30 EGEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1cnc(F)cc1C)c1ccccc1 ZINC000870310389 1295804578 /nfs/dbraw/zinc/80/45/78/1295804578.db2.gz WULBFXJJRDAWOC-HOCLYGCPSA-N -1 0 339.370 3.119 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1nc(-c2ccco2)sc1C ZINC000193379456 1295857811 /nfs/dbraw/zinc/85/78/11/1295857811.db2.gz YAZDEFVTXFRXFX-LBPRGKRZSA-N -1 0 345.424 3.340 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cc(Br)cs1 ZINC000194587173 1295991904 /nfs/dbraw/zinc/99/19/04/1295991904.db2.gz JMSBBOWWZSKIQP-SNVBAGLBSA-N -1 0 343.246 3.139 20 30 EGEDRM Cc1ccccc1-c1n[n-]c(=S)n1N=Cc1ccc(O)cc1O ZINC000254590845 1296475151 /nfs/dbraw/zinc/47/51/51/1296475151.db2.gz YMNINRDDCPNAGD-UHFFFAOYSA-N -1 0 326.381 3.210 20 30 EGEDRM Oc1ccc(C=Nn2c(=S)[n-]nc2-c2ccccc2F)cc1O ZINC000254622697 1296475201 /nfs/dbraw/zinc/47/52/01/1296475201.db2.gz FPRQPEHOSIOUMF-UHFFFAOYSA-N -1 0 330.344 3.040 20 30 EGEDRM COCCCOc1cccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000254999769 1296486486 /nfs/dbraw/zinc/48/64/86/1296486486.db2.gz YMBAENQWRWCBSR-UHFFFAOYSA-N -1 0 330.340 3.466 20 30 EGEDRM COCc1cccc(/C=C\C(=O)c2cccc(OCC(=O)[O-])c2)c1 ZINC000255079776 1296496587 /nfs/dbraw/zinc/49/65/87/1296496587.db2.gz VPNVVZHTCAMXAA-HJWRWDBZSA-N -1 0 326.348 3.193 20 30 EGEDRM CNC(=O)c1ccc(C)c(N=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])c1 ZINC000255120764 1296500099 /nfs/dbraw/zinc/50/00/99/1296500099.db2.gz SOZBIWFAHXAMQX-UHFFFAOYSA-N -1 0 347.758 3.372 20 30 EGEDRM Cn1c(=O)oc2ccc(N=Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])cc21 ZINC000255172366 1296507600 /nfs/dbraw/zinc/50/76/00/1296507600.db2.gz QQMDWMLNZJYBEJ-UHFFFAOYSA-N -1 0 347.714 3.149 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2cc(F)cc(C(F)(F)F)c2)C(=O)O1 ZINC000255293466 1296515128 /nfs/dbraw/zinc/51/51/28/1296515128.db2.gz ZVAXSHADVAAWHR-SFAKSCPVSA-N -1 0 342.244 3.073 20 30 EGEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N\C[C@H](O)c2cccc(F)c2)c1[O-] ZINC000255334019 1296520853 /nfs/dbraw/zinc/52/08/53/1296520853.db2.gz BZSCLIZVDMJCJD-YCTMVFBPSA-N -1 0 338.722 3.245 20 30 EGEDRM C[C@@H](Oc1cccc(/C=C\C(=O)c2ccc(C#N)s2)c1)C(=O)[O-] ZINC000255371766 1296525148 /nfs/dbraw/zinc/52/51/48/1296525148.db2.gz UVYYDPMQIJYRGX-JPVGGKMYSA-N -1 0 327.361 3.368 20 30 EGEDRM C=CCOc1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc1Cl ZINC000255506210 1296539796 /nfs/dbraw/zinc/53/97/96/1296539796.db2.gz OPKNCUNADZSJNP-XQDHMALISA-N -1 0 346.766 3.133 20 30 EGEDRM COc1ccc(/C=C\C(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000255506172 1296539849 /nfs/dbraw/zinc/53/98/49/1296539849.db2.gz NTCKANIAZIWDKW-DJWKRKHSSA-N -1 0 344.279 3.113 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2cc(C(F)(F)F)ccc2F)C(=O)O1 ZINC000255506504 1296540232 /nfs/dbraw/zinc/54/02/32/1296540232.db2.gz IBSIJOOFULUSCY-FWWGQDLDSA-N -1 0 342.244 3.073 20 30 EGEDRM O=C(/C=C\c1cc(F)c([O-])c(F)c1)c1ccc(N2CCOCC2)cc1 ZINC000255532952 1296542394 /nfs/dbraw/zinc/54/23/94/1296542394.db2.gz RVFAUIBUMVYVJE-BHQIHCQQSA-N -1 0 345.345 3.403 20 30 EGEDRM COC(=O)[C@H](C)Oc1ccc(/C=C\C(=O)c2ccc([O-])c(F)c2)cc1 ZINC000255716850 1296563377 /nfs/dbraw/zinc/56/33/77/1296563377.db2.gz IBEJOZHNKGTEOZ-LRAPTIAOSA-N -1 0 344.338 3.368 20 30 EGEDRM C=CCC[C@@H](NC(=O)c1ccc(OC)c(OC2CCCC2)c1)C(=O)[O-] ZINC000263026482 1296657021 /nfs/dbraw/zinc/65/70/21/1296657021.db2.gz YNBGDNSSVRCPGD-OAHLLOKOSA-N -1 0 347.411 3.166 20 30 EGEDRM C=CCOc1cccc([N-]S(=O)(=O)c2cnc(Cl)c(C)c2)c1 ZINC000303641190 1296842511 /nfs/dbraw/zinc/84/25/11/1296842511.db2.gz BFLDEKYVQUCPDG-UHFFFAOYSA-N -1 0 338.816 3.409 20 30 EGEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(-c2cccc(F)c2)s1 ZINC000873496927 1297543114 /nfs/dbraw/zinc/54/31/14/1297543114.db2.gz FQMVXVSRCGVCEC-CQSZACIVSA-N -1 0 342.395 3.499 20 30 EGEDRM C=CC[C@@H](C(=O)[N-]S(=O)(=O)/C=C\c1ccccc1)c1ccccc1 ZINC000588528034 1298078697 /nfs/dbraw/zinc/07/86/97/1298078697.db2.gz YGUFEWLLWKMPGB-KGUUONHRSA-N -1 0 341.432 3.463 20 30 EGEDRM C[C@H](Oc1cccc(/C=C\C(=O)c2ccc3c(c2)CCO3)c1)C(=O)[O-] ZINC000746684435 1298642650 /nfs/dbraw/zinc/64/26/50/1298642650.db2.gz PYLMXPZKJLGOCF-VGVVRCBHSA-N -1 0 338.359 3.370 20 30 EGEDRM C=CCc1cc(C=NNc2ccccc2C(=O)[O-])cc(OC)c1O ZINC000747043130 1298714220 /nfs/dbraw/zinc/71/42/20/1298714220.db2.gz YEVHYDBYKIVGHH-UHFFFAOYSA-N -1 0 326.352 3.274 20 30 EGEDRM C[C@@H](Oc1cccc(C(=O)/C=C/c2cc(C#N)cs2)c1)C(=O)[O-] ZINC000748440119 1299008046 /nfs/dbraw/zinc/00/80/46/1299008046.db2.gz HNMBWWYJUCBYPO-MVIFTORASA-N -1 0 327.361 3.368 20 30 EGEDRM Cc1c(C([O-])=C(C#N)C(=O)NC2CCCCC2)cnc2ccccc12 ZINC000749026721 1299128668 /nfs/dbraw/zinc/12/86/68/1299128668.db2.gz QMSUJAQLYINIGX-MRXNPFEDSA-N -1 0 335.407 3.315 20 30 EGEDRM COc1ccc2c(c1)O/C(=C\c1cccc(O[C@H](C)C(=O)[O-])c1)C2=O ZINC000749133420 1299149673 /nfs/dbraw/zinc/14/96/73/1299149673.db2.gz ZIXIGVKUKHNFKS-JWHLFPLYSA-N -1 0 340.331 3.163 20 30 EGEDRM C[C@@H](C#N)CSc1ccccc1[N-]C(=S)NC[C@H]1CCOC1 ZINC000749704875 1299259133 /nfs/dbraw/zinc/25/91/33/1299259133.db2.gz LREHYJLHWUBNQE-QWHCGFSZSA-N -1 0 335.498 3.261 20 30 EGEDRM COCCOc1ccccc1/C=C\C(=O)c1ccc(C(=O)[O-])s1 ZINC000751514774 1299560119 /nfs/dbraw/zinc/56/01/19/1299560119.db2.gz PCMNGYDDEBLSEQ-SREVYHEPSA-N -1 0 332.377 3.368 20 30 EGEDRM O=C([O-])COc1cccc(/C=C2\Cc3c(cc(F)cc3F)C2=O)c1 ZINC000751537591 1299565697 /nfs/dbraw/zinc/56/56/97/1299565697.db2.gz YKNSYGIANACOKI-NYYWCZLTSA-N -1 0 330.286 3.251 20 30 EGEDRM O=C(/C=C/c1ccc([N+](=O)[O-])c([O-])c1)c1cc([N+](=O)[O-])ccc1F ZINC000752875708 1299811636 /nfs/dbraw/zinc/81/16/36/1299811636.db2.gz SKXIBFXPKLZLQJ-QHHAFSJGSA-N -1 0 332.243 3.244 20 30 EGEDRM CC(C)(C)CCN=Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cn1 ZINC000755646461 1300373188 /nfs/dbraw/zinc/37/31/88/1300373188.db2.gz UYTJWKXELAQNTJ-UHFFFAOYSA-N -1 0 347.444 3.111 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@H]2CCCC(C)(C)C2)n1 ZINC000756271730 1300461241 /nfs/dbraw/zinc/46/12/41/1300461241.db2.gz XGCNJPFYUXVNLM-QWHCGFSZSA-N -1 0 334.441 3.387 20 30 EGEDRM COc1ccccc1N1CC[C@@H](/N=C\c2cc(Cl)ccc2O)C1=O ZINC000756773547 1300563826 /nfs/dbraw/zinc/56/38/26/1300563826.db2.gz AJIXOCDXWGWILR-LPKQHDGYSA-N -1 0 344.798 3.279 20 30 EGEDRM CC(=O)N1CC[C@@H](/N=C/c2cc([N+](=O)[O-])ccc2[O-])c2ccccc21 ZINC000756846421 1300575765 /nfs/dbraw/zinc/57/57/65/1300575765.db2.gz JLBHQSDNEPGFOX-YDDPGSGASA-N -1 0 339.351 3.217 20 30 EGEDRM COC(=O)COc1c(C)cc(/C=C/C(=O)c2ccccc2[O-])cc1C ZINC000757474390 1300674582 /nfs/dbraw/zinc/67/45/82/1300674582.db2.gz LGWPINHAVBRIIV-CMDGGOBGSA-N -1 0 340.375 3.457 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)c2ccn(-c3ccc(Cl)cc3)n2)c1 ZINC000757901963 1300755576 /nfs/dbraw/zinc/75/55/76/1300755576.db2.gz WZANJZFQERTQBA-UHFFFAOYSA-N -1 0 338.754 3.355 20 30 EGEDRM O=C([O-])c1cc([N-][NH+]=Cc2ccc(N3CCCC3)nc2)ccc1Cl ZINC000758357807 1300861587 /nfs/dbraw/zinc/86/15/87/1300861587.db2.gz BRFQFCKTCSZQPE-UHFFFAOYSA-N -1 0 344.802 3.479 20 30 EGEDRM COc1cc(/C=C\C(=O)c2ccc(Cl)nc2)ccc1OCC(=O)[O-] ZINC000759081905 1301012262 /nfs/dbraw/zinc/01/22/62/1301012262.db2.gz CJSROKYGAISBTG-DJWKRKHSSA-N -1 0 347.754 3.103 20 30 EGEDRM COc1ccc(/C=C\C(=O)c2cc([N+](=O)[O-])ccc2[O-])c(OC)c1 ZINC000759089121 1301013381 /nfs/dbraw/zinc/01/33/81/1301013381.db2.gz GGBJKHCWJFTXTJ-DAXSKMNVSA-N -1 0 329.308 3.214 20 30 EGEDRM COc1ccc(C(C)(C)C(=O)Nc2cc(C#N)ccc2[O-])cc1OC ZINC000759637293 1301133714 /nfs/dbraw/zinc/13/37/14/1301133714.db2.gz RGNNJZRPGPGIHD-UHFFFAOYSA-N -1 0 340.379 3.197 20 30 EGEDRM CC(C)(C)OC(=O)N[C@H](C(=O)Nc1cc(C#N)ccc1[O-])C(C)(C)C ZINC000759713152 1301146295 /nfs/dbraw/zinc/14/62/95/1301146295.db2.gz HZBJEGVZOWEUQM-CQSZACIVSA-N -1 0 347.415 3.142 20 30 EGEDRM C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F ZINC000761322528 1301442388 /nfs/dbraw/zinc/44/23/88/1301442388.db2.gz WSBGTWDJHXPBNZ-UHFFFAOYSA-N -1 0 349.383 3.214 20 30 EGEDRM COc1cc(F)ccc1NN=Cc1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000761885097 1301560868 /nfs/dbraw/zinc/56/08/68/1301560868.db2.gz PLCKTDVEQLPUOU-NSHDSACASA-N -1 0 332.331 3.132 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)c1cc2c(s1)-c1ccccc1OC2 ZINC000762021016 1301592726 /nfs/dbraw/zinc/59/27/26/1301592726.db2.gz HQEXVTRFBHRNKG-UHFFFAOYSA-N -1 0 329.377 3.020 20 30 EGEDRM Cc1nc2ccc(C([O-])=C(C#N)C(=O)NC3CCCCC3)cc2s1 ZINC000763934278 1301984372 /nfs/dbraw/zinc/98/43/72/1301984372.db2.gz YKPZEJMTGUKRNY-AWEZNQCLSA-N -1 0 341.436 3.376 20 30 EGEDRM CCc1cnccc1C(=O)/C=C/c1cc(OC)c([O-])c([N+](=O)[O-])c1 ZINC000766780226 1302517110 /nfs/dbraw/zinc/51/71/10/1302517110.db2.gz WCHVJMSFXKEZSU-SNAWJCMRSA-N -1 0 328.324 3.163 20 30 EGEDRM [O-]c1c(Br)cc(Cl)cc1C=NOC1CCOCC1 ZINC000884451029 1302863525 /nfs/dbraw/zinc/86/35/25/1302863525.db2.gz ANQANFKMPCGAJD-UHFFFAOYSA-N -1 0 334.597 3.338 20 30 EGEDRM N#Cc1ccc(N2CCN(Cc3cc(Cl)ccc3O)CC2)c(F)c1 ZINC000769146868 1303056151 /nfs/dbraw/zinc/05/61/51/1303056151.db2.gz NBFOKTHLZPQKDF-UHFFFAOYSA-N -1 0 345.805 3.379 20 30 EGEDRM C=CCNC(=O)c1ccccc1NC(=O)c1c([O-])cccc1Cl ZINC000769651429 1303153649 /nfs/dbraw/zinc/15/36/49/1303153649.db2.gz IPXAFRNUTAWDLC-UHFFFAOYSA-N -1 0 330.771 3.214 20 30 EGEDRM C=CCS(=O)(=O)[N-]C(=O)C1(c2ccc(C(C)C)cc2)CCCC1 ZINC000772717114 1303566846 /nfs/dbraw/zinc/56/68/46/1303566846.db2.gz COTIUUKXQRRPLT-UHFFFAOYSA-N -1 0 335.469 3.254 20 30 EGEDRM C=C(C)[C@H](NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-])c1ccc(F)c(F)c1 ZINC000887293265 1303732918 /nfs/dbraw/zinc/73/29/18/1303732918.db2.gz YWNYQLMQJKLWPG-VVKPGGIYSA-N -1 0 347.361 3.221 20 30 EGEDRM C=CCC[C@H](NC(=O)c1ccc(OC(F)F)c(Cl)c1)C(=O)[O-] ZINC000887325103 1303743774 /nfs/dbraw/zinc/74/37/74/1303743774.db2.gz GBPDOZYGECCVHP-JTQLQIEISA-N -1 0 333.718 3.091 20 30 EGEDRM Cc1nc(C2CCCCC2)sc1C([O-])=C(C#N)C(=O)NC(C)C ZINC000775227303 1303927182 /nfs/dbraw/zinc/92/71/82/1303927182.db2.gz NMQRKWXTFRAZSJ-CYBMUJFWSA-N -1 0 333.457 3.346 20 30 EGEDRM CCCCCCCC[C@H](C)CC(=O)[N-]S(=O)(=O)c1cnn(C)c1 ZINC000775234935 1303928703 /nfs/dbraw/zinc/92/87/03/1303928703.db2.gz QVTRVBUQTQUUPP-AWEZNQCLSA-N -1 0 343.493 3.002 20 30 EGEDRM COc1cccc([C@H](C#N)NC(=O)c2cccc(Cl)c2[O-])c1OC ZINC000775716769 1304020656 /nfs/dbraw/zinc/02/06/56/1304020656.db2.gz FSRBQOUEPXSKIH-ZDUSSCGKSA-N -1 0 346.770 3.057 20 30 EGEDRM CCCCCCCCOCC(=O)[N-]S(=O)(=O)c1cc(C)oc1C ZINC000776567267 1304172188 /nfs/dbraw/zinc/17/21/88/1304172188.db2.gz OINCMTBUJFZIOV-UHFFFAOYSA-N -1 0 345.461 3.078 20 30 EGEDRM CC(=NNc1cccc([N+](=O)[O-])c1C)c1cc(C(=O)[O-])c(C)nc1C ZINC000776730748 1304189063 /nfs/dbraw/zinc/18/90/63/1304189063.db2.gz YNMPFXBWSIUFET-UHFFFAOYSA-N -1 0 342.355 3.449 20 30 EGEDRM O=C([O-])Cc1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000777915176 1304365230 /nfs/dbraw/zinc/36/52/30/1304365230.db2.gz HMVZVFRPVXNJOC-SOFGYWHQSA-N -1 0 329.283 3.257 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cc(C)n([C@H](C)CC)n1 ZINC000778295659 1304432738 /nfs/dbraw/zinc/43/27/38/1304432738.db2.gz RUSOUVQXQIWLCT-HIFRSBDPSA-N -1 0 332.448 3.182 20 30 EGEDRM N#CCCSc1ccccc1NC(=O)C(=O)[N-]OC1CCCCC1 ZINC000778945869 1304511022 /nfs/dbraw/zinc/51/10/22/1304511022.db2.gz PWUIDNAZEPNUKC-UHFFFAOYSA-N -1 0 347.440 3.011 20 30 EGEDRM CCCCCC[C@@H](C)C(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC000779318056 1304555333 /nfs/dbraw/zinc/55/53/33/1304555333.db2.gz MHCVAUUMAVWEPA-CQSZACIVSA-N -1 0 328.478 3.123 20 30 EGEDRM COc1ccc(C#N)cc1NCc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000779591909 1304585523 /nfs/dbraw/zinc/58/55/23/1304585523.db2.gz YXXFOVSVXNZGGA-UHFFFAOYSA-N -1 0 333.731 3.446 20 30 EGEDRM Cc1cc(C=Nn2c(=O)c3ccccc3[n-]c2=S)cc2cccnc12 ZINC000783820730 1305149050 /nfs/dbraw/zinc/14/90/50/1305149050.db2.gz ILCWZLJRDWTEJG-UHFFFAOYSA-N -1 0 346.415 3.424 20 30 EGEDRM Cn1ncc2c1nc(N=NCC1CCC(C(C)(C)C)CC1)[n-]c2=O ZINC000783845306 1305151414 /nfs/dbraw/zinc/15/14/14/1305151414.db2.gz CWVYOEFFKJYCES-UHFFFAOYSA-N -1 0 330.436 3.319 20 30 EGEDRM Cc1ccc(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)cc1F ZINC000786534406 1305591638 /nfs/dbraw/zinc/59/16/38/1305591638.db2.gz KUMBPAWVCNHGKF-HNNXBMFYSA-N -1 0 344.773 3.426 20 30 EGEDRM CC(C)n1cccc1C([O-])=C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786536708 1305592868 /nfs/dbraw/zinc/59/28/68/1305592868.db2.gz PBIYJLPHLOSDHZ-HNNXBMFYSA-N -1 0 343.814 3.361 20 30 EGEDRM CCc1ccc(C([O-])=C(C#N)C(=O)NCc2ccc(F)cc2F)cc1 ZINC000786557265 1305598288 /nfs/dbraw/zinc/59/82/88/1305598288.db2.gz HSJBPNWMCHSKCR-MRXNPFEDSA-N -1 0 342.345 3.166 20 30 EGEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1scnc1Cl)c1ccccc1 ZINC000787046814 1305682783 /nfs/dbraw/zinc/68/27/83/1305682783.db2.gz SEEGYIJOCVSMIX-NEPJUHHUSA-N -1 0 347.827 3.386 20 30 EGEDRM O=C([O-])[C@H]1CCC(=NNc2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000788950031 1306047677 /nfs/dbraw/zinc/04/76/77/1306047677.db2.gz CIFONYNKJFBZQR-HNNXBMFYSA-N -1 0 325.324 3.373 20 30 EGEDRM Cc1nc(C)c(C(C)N=Nc2cccc(F)c2[N+](=O)[O-])cc1C(=O)[O-] ZINC000790306892 1306297149 /nfs/dbraw/zinc/29/71/49/1306297149.db2.gz PNTACFWNSQPTOR-UHFFFAOYSA-N -1 0 346.318 3.280 20 30 EGEDRM N#C[C@]1(F)CCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000894532009 1308941200 /nfs/dbraw/zinc/94/12/00/1308941200.db2.gz HEWXIQZHENNZDI-GFCCVEGCSA-N -1 0 333.588 3.246 20 30 EGEDRM CC[C@H](NN=C(C)c1cnn(-c2cccc(Cl)c2)c1C)C(=O)[O-] ZINC000793073343 1309290348 /nfs/dbraw/zinc/29/03/48/1309290348.db2.gz STQHMSMLDJLYHP-HNNXBMFYSA-N -1 0 334.807 3.011 20 30 EGEDRM CC[C@@H](NN=Cc1cc(Cl)ccc1OCc1cccnc1)C(=O)[O-] ZINC000793078439 1309292224 /nfs/dbraw/zinc/29/22/24/1309292224.db2.gz MAZIOTPVVXEWCW-OAHLLOKOSA-N -1 0 347.802 3.101 20 30 EGEDRM Cc1cnn(C)c1/C=C/C(=O)c1cc(Br)cc(F)c1[O-] ZINC000794714029 1309579699 /nfs/dbraw/zinc/57/96/99/1309579699.db2.gz UBMCWRJCYKSABS-ONEGZZNKSA-N -1 0 339.164 3.232 20 30 EGEDRM CCC(=NNc1nnc(C)c(=O)[n-]1)c1ccc(OC(F)(F)F)cc1 ZINC000794871072 1309612816 /nfs/dbraw/zinc/61/28/16/1309612816.db2.gz DRONCBBAHMRBSB-UHFFFAOYSA-N -1 0 341.293 3.010 20 30 EGEDRM C[C@H]1COC(=O)C1=N[N-]c1ncnc2sc(-c3ccccc3)cc21 ZINC000794870883 1309613081 /nfs/dbraw/zinc/61/30/81/1309613081.db2.gz SUFXOULLJSTOCG-JTQLQIEISA-N -1 0 338.392 3.319 20 30 EGEDRM C=CCNC(=O)C(C#N)=C([O-])c1ccc2nc(-c3ccccc3)oc2c1 ZINC000796635405 1310052235 /nfs/dbraw/zinc/05/22/35/1310052235.db2.gz LSWFMGQQWPOTSO-HNNXBMFYSA-N -1 0 345.358 3.119 20 30 EGEDRM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(C#N)o2)cc1 ZINC000796743010 1310076831 /nfs/dbraw/zinc/07/68/31/1310076831.db2.gz DXXWGDLSAGXILH-MRXNPFEDSA-N -1 0 335.363 3.455 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)NCc1ccc(Oc2ccccc2)cc1 ZINC000797707431 1310235424 /nfs/dbraw/zinc/23/54/24/1310235424.db2.gz FYTGQTRPPIVZRO-UHFFFAOYSA-N -1 0 340.379 3.261 20 30 EGEDRM C#Cc1cccc(NC(=O)N(CC=C)[C@H](Cc2ccccc2)C(=O)[O-])c1 ZINC000797737188 1310240358 /nfs/dbraw/zinc/24/03/58/1310240358.db2.gz SWBBLURCKYGZKP-LJQANCHMSA-N -1 0 348.402 3.384 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 ZINC000797739371 1310240470 /nfs/dbraw/zinc/24/04/70/1310240470.db2.gz MSAYSJHJWMOMAE-UHFFFAOYSA-N -1 0 331.372 3.230 20 30 EGEDRM C[C@H](C(=O)C(C#N)=C([O-])c1nccn1C)c1ccc(C(F)(F)F)cc1 ZINC000798844075 1310450093 /nfs/dbraw/zinc/45/00/93/1310450093.db2.gz PYXLHRDUBYWFOT-GXFFZTMASA-N -1 0 349.312 3.134 20 30 EGEDRM C#CCC[C@H](O)CNC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000799076638 1310480615 /nfs/dbraw/zinc/48/06/15/1310480615.db2.gz OCXINANIIQKODP-HNNXBMFYSA-N -1 0 343.810 3.217 20 30 EGEDRM O=C([O-])Cn1cc(CN=Nc2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000799864001 1310630314 /nfs/dbraw/zinc/63/03/14/1310630314.db2.gz HDSQDXKRAWQMFJ-UHFFFAOYSA-N -1 0 338.323 3.080 20 30 EGEDRM CC(C)CCN1c2ccccc2C(=N[N-]c2ncc(Cl)cn2)C1=O ZINC000857222048 1328524873 /nfs/dbraw/zinc/52/48/73/1328524873.db2.gz ZXVGSVWXJARLHJ-UHFFFAOYSA-N -1 0 343.818 3.339 20 30 EGEDRM CCCc1nc(C([O-])=C(C#N)C(=O)N[C@H](CC)c2ccccc2)co1 ZINC000802218357 1316990074 /nfs/dbraw/zinc/99/00/74/1316990074.db2.gz BVLQXXMJLKLDLP-LSDHHAIUSA-N -1 0 339.395 3.217 20 30 EGEDRM COc1ccc(C(=O)/C=C/c2ccnn2C2CCC2)cc1CC(=O)[O-] ZINC000899343060 1316996381 /nfs/dbraw/zinc/99/63/81/1316996381.db2.gz NBFMEIBKHLOMIX-VOTSOKGWSA-N -1 0 340.379 3.140 20 30 EGEDRM C[C@@H](Oc1cccc(C(=O)/C=C\c2ccnn2C2CCC2)c1)C(=O)[O-] ZINC000899350506 1316998453 /nfs/dbraw/zinc/99/84/53/1316998453.db2.gz GRAUXVSCELZOBX-LJTDUEICSA-N -1 0 340.379 3.356 20 30 EGEDRM CCc1onc(C)c1/C=C\C(=O)c1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000899351030 1316999048 /nfs/dbraw/zinc/99/90/48/1316999048.db2.gz XIGKCJJSNNQHIS-JLVNDZCYSA-N -1 0 329.352 3.293 20 30 EGEDRM O=C1COc2c(N=Cc3cc([N+](=O)[O-])ccc3[O-])cc(Cl)cc2N1 ZINC000804598483 1317265413 /nfs/dbraw/zinc/26/54/13/1317265413.db2.gz NZCHOMBXRDJELY-UHFFFAOYSA-N -1 0 347.714 3.035 20 30 EGEDRM COc1ccc(/C=C2/C[C@H](C(=O)[O-])c3ccccc3C2=O)cc1C#N ZINC000806560419 1317501733 /nfs/dbraw/zinc/50/17/33/1317501733.db2.gz LPGCLGGHEQVCSF-OLXGIWCBSA-N -1 0 333.343 3.405 20 30 EGEDRM COc1cc(/C=C2\Cc3nc(Cl)ccc3C2=O)cc([N+](=O)[O-])c1[O-] ZINC000806579650 1317506092 /nfs/dbraw/zinc/50/60/92/1317506092.db2.gz MWEWNANHTAHXSM-RUDMXATFSA-N -1 0 346.726 3.180 20 30 EGEDRM C[C@@H](Oc1ccc(/C=C2/Cc3nc(Cl)ccc3C2=O)cc1)C(=O)[O-] ZINC000806578069 1317506345 /nfs/dbraw/zinc/50/63/45/1317506345.db2.gz MIUKLYPNOGRVOA-BKLZJWBFSA-N -1 0 343.766 3.409 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2ncc(C3(O)CCCCC3)s2)cc1[O-] ZINC000809775187 1317897639 /nfs/dbraw/zinc/89/76/39/1317897639.db2.gz FNMGMZSIJOFCFG-UHFFFAOYSA-N -1 0 343.408 3.124 20 30 EGEDRM O=C(/C=C/c1ccc(N2CCC(O)CC2)cc1)c1ccc(F)cc1[O-] ZINC000905075860 1317919057 /nfs/dbraw/zinc/91/90/57/1317919057.db2.gz YUCLHCBDNOXVNW-FPYGCLRLSA-N -1 0 341.382 3.389 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2oc3c(cccc3C)c2C)CC1 ZINC000810982643 1318087182 /nfs/dbraw/zinc/08/71/82/1318087182.db2.gz WFOHUZNYRQMBOC-UHFFFAOYSA-N -1 0 333.409 3.218 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2ccc(CSCC)cc2)CC1 ZINC000810989045 1318087746 /nfs/dbraw/zinc/08/77/46/1318087746.db2.gz YGYGOQFYXFDXAE-UHFFFAOYSA-N -1 0 339.482 3.108 20 30 EGEDRM C[C@@H](Oc1cccc(/C=C2/Cc3ccc(C#N)cc3C2=O)c1)C(=O)[O-] ZINC000811696195 1318229630 /nfs/dbraw/zinc/22/96/30/1318229630.db2.gz RKCYWKOTIXHJAR-YNUIFBACSA-N -1 0 333.343 3.233 20 30 EGEDRM C#CC[C@H](NC(=O)Nc1ccc(SC2CCCC2)cc1)C(=O)[O-] ZINC000908617020 1318373702 /nfs/dbraw/zinc/37/37/02/1318373702.db2.gz FPCPOPZLLVARDW-HNNXBMFYSA-N -1 0 332.425 3.319 20 30 EGEDRM C=C(C)[C@@H](CC(=O)Nc1ccc2c(ccn2CC(=O)[O-])c1)OCC ZINC000909186579 1318445426 /nfs/dbraw/zinc/44/54/26/1318445426.db2.gz ISLIEYJOMLFCTE-MRXNPFEDSA-N -1 0 330.384 3.036 20 30 EGEDRM C#CCO[N-]C(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1 ZINC000812786776 1318455362 /nfs/dbraw/zinc/45/53/62/1318455362.db2.gz VFGBXTLZCXGMOZ-UHFFFAOYSA-N -1 0 340.326 3.052 20 30 EGEDRM N#CC(=C([O-])c1ccn(CC(F)F)n1)c1cc(C(F)(F)F)ccn1 ZINC000813218223 1318515687 /nfs/dbraw/zinc/51/56/87/1318515687.db2.gz MQGXAXSORUVTFB-SECBINFHSA-N -1 0 344.243 3.052 20 30 EGEDRM N#CCOc1ccccc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813216768 1318516195 /nfs/dbraw/zinc/51/61/95/1318516195.db2.gz YQAIJTSZGNJPSB-ZDUSSCGKSA-N -1 0 345.280 3.493 20 30 EGEDRM Cc1ccc(NC(=S)NN=C2CC[C@H](C(=O)[O-])[C@@H](C)C2)c(C)c1 ZINC000814707557 1318802273 /nfs/dbraw/zinc/80/22/73/1318802273.db2.gz ROKKGRMDXKTSCN-FZMZJTMJSA-N -1 0 333.457 3.467 20 30 EGEDRM O=C([O-])c1cccc(CN=Nc2ncnc3sc4c(c32)CCC4)c1 ZINC000814726048 1318805318 /nfs/dbraw/zinc/80/53/18/1318805318.db2.gz IPJALIDBOLZVEQ-UHFFFAOYSA-N -1 0 338.392 3.324 20 30 EGEDRM Cc1nnc(NN=C(Cc2ccccc2Cl)c2ccoc2)[n-]c1=O ZINC000814735290 1318807712 /nfs/dbraw/zinc/80/77/12/1318807712.db2.gz YDLJTJQGSAWUQR-UHFFFAOYSA-N -1 0 343.774 3.191 20 30 EGEDRM C[C@@H]1C[C@H](C(=O)[O-])CCC1=NNC(=S)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000814758500 1318811153 /nfs/dbraw/zinc/81/11/53/1318811153.db2.gz BOMKMDYRVDFFHP-FTQJZPFOSA-N -1 0 339.505 3.152 20 30 EGEDRM CC(C)(C)c1cnc(C=Nn2c(=O)c3ccccc3[n-]c2=S)s1 ZINC000814781070 1318815273 /nfs/dbraw/zinc/81/52/73/1318815273.db2.gz VHEJBAAACFNKGE-UHFFFAOYSA-N -1 0 344.465 3.321 20 30 EGEDRM Cc1cc(C)c(C(=O)[O-])cc1CN=Nc1oc(C(C)C)nc1C#N ZINC000814820644 1318824210 /nfs/dbraw/zinc/82/42/10/1318824210.db2.gz KZXAUYZIBGYBIB-UHFFFAOYSA-N -1 0 326.356 3.431 20 30 EGEDRM CCC(N=Nc1cccnn1)c1ccc(OCCCCC(=O)[O-])cc1 ZINC000814852616 1318831696 /nfs/dbraw/zinc/83/16/96/1318831696.db2.gz IBIVPDMDFNWMLI-UHFFFAOYSA-N -1 0 342.399 3.337 20 30 EGEDRM CN(C)c1ccccc1CNN=Cc1cccc(C(=O)[O-])c1Cl ZINC000814925638 1318850638 /nfs/dbraw/zinc/85/06/38/1318850638.db2.gz HTRVZSLLHZMNEE-UHFFFAOYSA-N -1 0 331.803 3.228 20 30 EGEDRM Cc1cc(C=NNCC(=O)[O-])c(C)n1-c1cccc(Cl)c1Cl ZINC000814956860 1318860426 /nfs/dbraw/zinc/86/04/26/1318860426.db2.gz NIHWHEXWKPHBIU-UHFFFAOYSA-N -1 0 340.210 3.409 20 30 EGEDRM CCn1nc(C)c(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)n1 ZINC000815913699 1319073090 /nfs/dbraw/zinc/07/30/90/1319073090.db2.gz YZRBGZFROUFIKP-JTQLQIEISA-N -1 0 345.815 3.360 20 30 EGEDRM CNC(=O)c1cccc(N=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])c1C ZINC000915114110 1319424046 /nfs/dbraw/zinc/42/40/46/1319424046.db2.gz DEYXBXKBOUCVAR-UHFFFAOYSA-N -1 0 347.758 3.372 20 30 EGEDRM COCCOc1ccc(C(C)=NNc2cccc(C(=O)[O-])c2)cc1 ZINC000915935245 1319565132 /nfs/dbraw/zinc/56/51/32/1319565132.db2.gz BCSCPYAOSXPSLT-UHFFFAOYSA-N -1 0 328.368 3.246 20 30 EGEDRM CC(=NNC(=S)Nc1ccc(C)cc1)c1ccc(C(=O)[O-])cc1 ZINC000915937911 1319567488 /nfs/dbraw/zinc/56/74/88/1319567488.db2.gz WVUOMBBBACQVEU-UHFFFAOYSA-N -1 0 327.409 3.404 20 30 EGEDRM Cc1c(C(=O)[O-])oc2c1C(=NNC(=S)NC1CCCCC1)CCC2 ZINC000915942941 1319568845 /nfs/dbraw/zinc/56/88/45/1319568845.db2.gz NSSZRHOMUZPVSA-UHFFFAOYSA-N -1 0 349.456 3.123 20 30 EGEDRM COc1cc(/C=C/C(=O)c2cc(F)ccc2F)ccc1OCC(=O)[O-] ZINC000916134729 1319607033 /nfs/dbraw/zinc/60/70/33/1319607033.db2.gz QBUIGNKWNFTYQZ-QHHAFSJGSA-N -1 0 348.301 3.333 20 30 EGEDRM O=[N+]([O-])c1cc(C=NNc2ncc(Cl)cc2Cl)ccc1[O-] ZINC000916317132 1319639764 /nfs/dbraw/zinc/63/97/64/1319639764.db2.gz YWBXVZFZRCAVHG-UHFFFAOYSA-N -1 0 327.127 3.448 20 30 EGEDRM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1noc2c1CCCC2 ZINC000916909440 1319722271 /nfs/dbraw/zinc/72/22/71/1319722271.db2.gz BIWMCXKCLCKNTE-NSHDSACASA-N -1 0 343.770 3.168 20 30 EGEDRM CCC(=NNc1[n-]cnc2ncnc1-2)c1cccc(Br)c1 ZINC000917555223 1319836417 /nfs/dbraw/zinc/83/64/17/1319836417.db2.gz WJMAYAXKIXINJE-UHFFFAOYSA-N -1 0 345.204 3.342 20 30 EGEDRM CC(C)(C#N)c1ccccc1Cn1[n-]c(=O)c(Cl)c(Cl)c1=O ZINC000918256410 1319937258 /nfs/dbraw/zinc/93/72/58/1319937258.db2.gz UVOAMBKSDOGLJT-UHFFFAOYSA-N -1 0 338.194 3.105 20 30 EGEDRM CCCCCCCCCS(=O)(=O)[N-]c1nnc([C@H]2CCCO2)o1 ZINC000844825805 1321648408 /nfs/dbraw/zinc/64/84/08/1321648408.db2.gz NCHBBAUJHBGRMA-CYBMUJFWSA-N -1 0 345.465 3.413 20 30 EGEDRM C=C[C@@H](C)O[N-]C(=O)[C@@H](C)Oc1ccc(C)cc1Br ZINC000846548856 1321793240 /nfs/dbraw/zinc/79/32/40/1321793240.db2.gz GSQMQSYYWSQSCH-GHMZBOCLSA-N -1 0 328.206 3.147 20 30 EGEDRM CC(C)(C)OC(=O)NCC(C)(C)CN=Nc1ccc(CC(=O)[O-])cc1 ZINC000848414341 1321957989 /nfs/dbraw/zinc/95/79/89/1321957989.db2.gz MJCHEVIYKCAVPF-UHFFFAOYSA-N -1 0 349.431 3.262 20 30 EGEDRM COc1ccc(CC(C)N=Nc2ccc(CC(=O)[O-])cc2)cc1OC ZINC000848416106 1321958680 /nfs/dbraw/zinc/95/86/80/1321958680.db2.gz ZAVBPWPZUZKICU-UHFFFAOYSA-N -1 0 342.395 3.361 20 30 EGEDRM COc1ccc(-c2ccccc2[C@@H](O)CC(=O)[O-])cc1C1(C#N)CC1 ZINC000849476654 1322123854 /nfs/dbraw/zinc/12/38/54/1322123854.db2.gz VNJSYGVUMSYIFQ-KRWDZBQOSA-N -1 0 337.375 3.425 20 30 EGEDRM O=[N+]([O-])c1cccc(C/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])c1 ZINC000921261635 1322282119 /nfs/dbraw/zinc/28/21/19/1322282119.db2.gz RSPXTGPUPRPSDE-PXNMLYILSA-N -1 0 335.703 3.481 20 30 EGEDRM C#CCCCC(=O)O[C@H]1C[C@H]([N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000851176755 1322345413 /nfs/dbraw/zinc/34/54/13/1322345413.db2.gz CHZCHUFVGIUUMY-KBPBESRZSA-N -1 0 339.313 3.198 20 30 EGEDRM CCOC(=O)N1CCC(C)(CN=Nc2ccc(C(=O)[O-])cc2)CC1 ZINC000853252662 1325072304 /nfs/dbraw/zinc/07/23/04/1325072304.db2.gz QMLSOKMASDUNAA-UHFFFAOYSA-N -1 0 333.388 3.041 20 30 EGEDRM CC[C@@H](NN=C(C)c1ccc2cc(OC)c(OC)cc2c1)C(=O)[O-] ZINC000853349368 1325083692 /nfs/dbraw/zinc/08/36/92/1325083692.db2.gz YZOPGAFXGCHYTE-OAHLLOKOSA-N -1 0 330.384 3.034 20 30 EGEDRM C=CCCO[N-]C(=O)[C@@](C)(NC(=O)OC(C)(C)C)c1ccccc1 ZINC000856035055 1325441766 /nfs/dbraw/zinc/44/17/66/1325441766.db2.gz RQLLWKMIZPINGC-SFHVURJKSA-N -1 0 334.416 3.050 20 30 EGEDRM Cc1cc(N=NC(C)CCc2ccc(O[C@@H](C)C(=O)[O-])cc2)ccn1 ZINC000863159603 1329530765 /nfs/dbraw/zinc/53/07/65/1329530765.db2.gz XSHHKNPMTIBFDS-HNNXBMFYSA-N -1 0 341.411 3.084 20 30 EGEDRM C=CCCc1ccccc1NC(=O)Cc1cc(=O)n(CC(C)C)[n-]1 ZINC000935832489 1330089333 /nfs/dbraw/zinc/08/93/33/1330089333.db2.gz DTCUPCISUNWZJU-UHFFFAOYSA-N -1 0 327.428 3.132 20 30 EGEDRM N#Cc1cc(NC(=O)[C@H]2COc3ccc(Cl)cc3C2)c([O-])cc1F ZINC001183274798 1387289809 /nfs/dbraw/zinc/28/98/09/1387289809.db2.gz DCJVPZVFJOWHPH-LLVKDONJSA-N -1 0 346.745 3.246 20 30 EGEDRM O=C(CCC(=O)C1=CC=C[CH]1)Nc1ccc(Cl)c2nsnc21 ZINC001184245293 1387419618 /nfs/dbraw/zinc/41/96/18/1387419618.db2.gz NYUKSJPIFLVCCG-UHFFFAOYSA-N -1 0 332.792 3.333 20 30 EGEDRM COc1ccc(C(C)=O)c(NC(=O)CCC(=O)C2=CC=C[CH]2)c1C ZINC001184245551 1387419763 /nfs/dbraw/zinc/41/97/63/1387419763.db2.gz SQIOBRGSZWFVMF-UHFFFAOYSA-N -1 0 326.372 3.195 20 30 EGEDRM CO[C@H](Cc1ccccc1)[C@H](C)C(=O)Nc1cc(C#N)c(F)cc1[O-] ZINC001184355552 1387437788 /nfs/dbraw/zinc/43/77/88/1387437788.db2.gz YUMLKERUCMPBMZ-KPZWWZAWSA-N -1 0 342.370 3.235 20 30 EGEDRM N#Cc1cccc(C#N)c1[N-]S(=O)(=O)c1cc2ccccc2s1 ZINC001185453995 1387720083 /nfs/dbraw/zinc/72/00/83/1387720083.db2.gz HTRPMMBXIQPAOW-UHFFFAOYSA-N -1 0 339.401 3.445 20 30 EGEDRM N#Cc1cc(Cl)ccc1[N-]S(=O)(=O)Cc1ccc(F)c(F)c1 ZINC001189309707 1366984217 /nfs/dbraw/zinc/98/42/17/1366984217.db2.gz LBMSABXTHODORQ-UHFFFAOYSA-N -1 0 342.754 3.432 20 30 EGEDRM Cc1cc(C#N)cc(C)c1[N-]S(=O)(=O)c1cc(F)cc(F)c1F ZINC001190387940 1367248307 /nfs/dbraw/zinc/24/83/07/1367248307.db2.gz PFRMKNQUGCKDOC-UHFFFAOYSA-N -1 0 340.326 3.393 20 30 EGEDRM N#Cc1cccc(C(=O)Nc2cc(Br)ccc2O)c1F ZINC001190544994 1367289509 /nfs/dbraw/zinc/28/95/09/1367289509.db2.gz FOBFSRRXMCPWQB-UHFFFAOYSA-N -1 0 335.132 3.418 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cc(Cl)nc(Cl)c2)c1 ZINC001190616026 1367309986 /nfs/dbraw/zinc/30/99/86/1367309986.db2.gz GPECZPSWFXFKNV-UHFFFAOYSA-N -1 0 346.170 3.200 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]c2sc(C)cc2C(=O)OCC)CC1 ZINC001190766492 1367345630 /nfs/dbraw/zinc/34/56/30/1367345630.db2.gz SYGJWWMTHLFLQG-UHFFFAOYSA-N -1 0 329.443 3.084 20 30 EGEDRM CCCCc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C#N)cc1 ZINC001191252355 1367458848 /nfs/dbraw/zinc/45/88/48/1367458848.db2.gz ABXVQFBVJXOCDO-UHFFFAOYSA-N -1 0 330.409 3.407 20 30 EGEDRM Cc1coc([N-]S(=O)(=O)Cc2ccc(Cl)cc2F)c1C#N ZINC001191875555 1367623524 /nfs/dbraw/zinc/62/35/24/1367623524.db2.gz ZTUORYKQBYXEJG-UHFFFAOYSA-N -1 0 328.752 3.194 20 30 EGEDRM N#Cc1ccc(F)cc1[N-]S(=O)(=O)Cc1ccc(Cl)cc1F ZINC001191898291 1367629630 /nfs/dbraw/zinc/62/96/30/1367629630.db2.gz OYXJOTOVKGBBBN-UHFFFAOYSA-N -1 0 342.754 3.432 20 30 EGEDRM Cc1cc(C#N)c([N-]S(=O)(=O)c2cnc(Cl)cc2C)cc1F ZINC001192367367 1367766107 /nfs/dbraw/zinc/76/61/07/1367766107.db2.gz BHGWSLQXXHYMMG-UHFFFAOYSA-N -1 0 339.779 3.163 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2c(C#N)oc3ccccc32)cnc1Cl ZINC001192533473 1367808651 /nfs/dbraw/zinc/80/86/51/1367808651.db2.gz MJONHCAJPNVBAG-UHFFFAOYSA-N -1 0 347.783 3.462 20 30 EGEDRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2c(F)cccc2C#N)c1 ZINC001192805350 1367878249 /nfs/dbraw/zinc/87/82/49/1367878249.db2.gz HHAIAQWOPHXASF-UHFFFAOYSA-N -1 0 334.372 3.069 20 30 EGEDRM N#Cc1cc(NC(=O)[C@@H]2CC(=O)c3cc(Cl)ccc32)c([O-])cc1F ZINC001186251249 1387906839 /nfs/dbraw/zinc/90/68/39/1387906839.db2.gz IQOSOYIUTVSLBC-GFCCVEGCSA-N -1 0 344.729 3.365 20 30 EGEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001193150580 1367953870 /nfs/dbraw/zinc/95/38/70/1367953870.db2.gz HUBKFYMAARIFQR-LURJTMIESA-N -1 0 346.252 3.378 20 30 EGEDRM COc1cc2c(cc1[N-]S(=O)(=O)[C@@H](C)C#N)oc1ccccc12 ZINC001193148825 1367954374 /nfs/dbraw/zinc/95/43/74/1367954374.db2.gz FXCPPUJROAMWMM-JTQLQIEISA-N -1 0 330.365 3.248 20 30 EGEDRM CC1CCC(C)([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC001186369601 1387929886 /nfs/dbraw/zinc/92/98/86/1387929886.db2.gz UNPYUELJJYMEQJ-UHFFFAOYSA-N -1 0 328.384 3.084 20 30 EGEDRM CC(=O)c1ccc(NC(=S)Nc2cc(C#N)c(F)cc2[O-])cc1 ZINC001196562097 1368639196 /nfs/dbraw/zinc/63/91/96/1368639196.db2.gz HDPWIZXSLPMAMS-UHFFFAOYSA-N -1 0 329.356 3.414 20 30 EGEDRM COc1cccc(C)c1[N-]S(=O)(=O)c1cc(Cl)ccc1C#N ZINC001196679753 1368661260 /nfs/dbraw/zinc/66/12/60/1368661260.db2.gz JQKVSYKVYAVTAP-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM COc1ccc(F)c(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)c1 ZINC001196762141 1368678092 /nfs/dbraw/zinc/67/80/92/1368678092.db2.gz QUXOQBHHYVQUKX-UHFFFAOYSA-N -1 0 340.763 3.160 20 30 EGEDRM CCCCCCCC(=O)c1ccc([O-])c(C(=O)NCC2OCCO2)c1 ZINC001197364982 1368799496 /nfs/dbraw/zinc/79/94/96/1368799496.db2.gz GGHHNPMWJZGVGF-UHFFFAOYSA-N -1 0 349.427 3.038 20 30 EGEDRM Cc1ccnc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2C#N)c1 ZINC001198004442 1368940326 /nfs/dbraw/zinc/94/03/26/1368940326.db2.gz HJOQZHYPNWMIML-UHFFFAOYSA-N -1 0 341.314 3.081 20 30 EGEDRM N#Cc1cc(NC(=O)c2ccc(C(=O)C(F)(F)F)cc2)ccc1O ZINC001186574413 1387971429 /nfs/dbraw/zinc/97/14/29/1387971429.db2.gz YJDHYPHFZAWXDU-UHFFFAOYSA-N -1 0 334.253 3.261 20 30 EGEDRM COc1ccc(S(=O)(=O)[N-]c2cc(F)c(C)cc2C#N)c(C)c1 ZINC001198950671 1369156079 /nfs/dbraw/zinc/15/60/79/1369156079.db2.gz IUUHKXJCJQZBDB-UHFFFAOYSA-N -1 0 334.372 3.124 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2cc3ccccc3n2C)cc1C#N ZINC001201294826 1369512982 /nfs/dbraw/zinc/51/29/82/1369512982.db2.gz DQOFKHOZJKEHBV-UHFFFAOYSA-N -1 0 325.393 3.159 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2OC(F)F)cc1C#N ZINC001201317348 1369517392 /nfs/dbraw/zinc/51/73/92/1369517392.db2.gz QATJVQVUPFEYRO-UHFFFAOYSA-N -1 0 338.335 3.269 20 30 EGEDRM N#Cc1ccc(O)c([N-]S(=O)(=O)c2cc3c(s2)CCCC3)c1 ZINC001187210668 1388073025 /nfs/dbraw/zinc/07/30/25/1388073025.db2.gz WZYJHQNOYVVVOQ-UHFFFAOYSA-N -1 0 334.422 3.005 20 30 EGEDRM COc1cc(C#N)cc(-c2ccc(F)c(C(=O)[O-])c2F)c1OC(C)=O ZINC001205089225 1370647369 /nfs/dbraw/zinc/64/73/69/1370647369.db2.gz QBGFMDIPAHDEMD-UHFFFAOYSA-N -1 0 347.273 3.136 20 30 EGEDRM CC(C)(C)OC(=O)N1CCC=C(Nc2cc(C#N)c(F)cc2[O-])C1 ZINC001205254622 1370696740 /nfs/dbraw/zinc/69/67/40/1370696740.db2.gz NSLAXDMZUZPJEX-UHFFFAOYSA-N -1 0 333.363 3.340 20 30 EGEDRM CCOC(=O)c1n[nH]cc1C=CC(=O)c1ccc2ccccc2c1[O-] ZINC001116309366 1370883003 /nfs/dbraw/zinc/88/30/03/1370883003.db2.gz ZJXBIVDISHSPLJ-CSKARUKUSA-N -1 0 336.347 3.341 20 30 EGEDRM C=C(C)Cn1c(-c2c[n-]n(CC)c2=O)nnc1N1CC[C@@H](C)C[C@H]1C ZINC001122543444 1372271112 /nfs/dbraw/zinc/27/11/12/1372271112.db2.gz HHMSKYCUMYDGHP-ZIAGYGMSSA-N -1 0 344.463 3.068 20 30 EGEDRM COC(=O)c1cc(Nc2ccc(C(=O)[O-])c(F)c2F)ccc1C#N ZINC001212515757 1372718499 /nfs/dbraw/zinc/71/84/99/1372718499.db2.gz LYASJQHHNLAVBR-UHFFFAOYSA-N -1 0 332.262 3.065 20 30 EGEDRM Cc1cc(C#N)cc(C#N)c1Nc1ccc(NC(=O)CCC(=O)[O-])cc1 ZINC001213191724 1372857042 /nfs/dbraw/zinc/85/70/42/1372857042.db2.gz HINYGXKMWRVMLC-UHFFFAOYSA-N -1 0 348.362 3.285 20 30 EGEDRM CCOc1ccc(C(=O)[O-])cc1Nc1nc2ncccc2cc1C#N ZINC001214268794 1373034975 /nfs/dbraw/zinc/03/49/75/1373034975.db2.gz PYIRBABUKICDSE-UHFFFAOYSA-N -1 0 334.335 3.342 20 30 EGEDRM COc1ccc(Nc2cccc(Cl)c2C#N)c(S(=O)(=O)[O-])c1 ZINC001216128047 1373268227 /nfs/dbraw/zinc/26/82/27/1373268227.db2.gz APHOVZYXSFIHIQ-UHFFFAOYSA-N -1 0 338.772 3.211 20 30 EGEDRM C#Cc1nc(Br)cnc1Nc1cc(C)c(C(=O)[O-])c(C)c1 ZINC001216307502 1373298153 /nfs/dbraw/zinc/29/81/53/1373298153.db2.gz DKIKFZGRKXFWEW-UHFFFAOYSA-N -1 0 346.184 3.279 20 30 EGEDRM N#Cc1cnn(-c2ccccc2)c1Nc1cc(CC(=O)[O-])ccc1F ZINC001216677534 1373330511 /nfs/dbraw/zinc/33/05/11/1373330511.db2.gz MFHUGVPRWZJHFM-UHFFFAOYSA-N -1 0 336.326 3.254 20 30 EGEDRM COC(=O)c1cc(C#N)cc(C)c1Nc1cc(CC(=O)[O-])ccc1F ZINC001216684606 1373331821 /nfs/dbraw/zinc/33/18/21/1373331821.db2.gz FLAPJHJROKWRFJ-UHFFFAOYSA-N -1 0 342.326 3.163 20 30 EGEDRM N#Cc1cc(-c2nc(-c3ccc4c(c3)CCCC4=O)no2)ccc1[O-] ZINC001216969364 1373373123 /nfs/dbraw/zinc/37/31/23/1373373123.db2.gz CHUWGKAXOUPUGB-UHFFFAOYSA-N -1 0 331.331 3.500 20 30 EGEDRM COc1c(F)ccc(-c2noc(-c3ccc(C#N)cc3[O-])n2)c1F ZINC001217038796 1373381478 /nfs/dbraw/zinc/38/14/78/1373381478.db2.gz HFKFEVPHWJWZHT-UHFFFAOYSA-N -1 0 329.262 3.268 20 30 EGEDRM COc1cc(Cl)cnc1-c1noc(-c2ccc(C#N)cc2[O-])n1 ZINC001217038893 1373381632 /nfs/dbraw/zinc/38/16/32/1373381632.db2.gz KNPPYRPYJQZKQQ-UHFFFAOYSA-N -1 0 328.715 3.038 20 30 EGEDRM COc1ncc(Cl)cc1-c1noc(-c2ccc(C#N)cc2[O-])n1 ZINC001217039254 1373381919 /nfs/dbraw/zinc/38/19/19/1373381919.db2.gz PXHMNIXKRNNLNR-UHFFFAOYSA-N -1 0 328.715 3.038 20 30 EGEDRM N#Cc1ccc(-c2nc(-c3cncc(Br)c3)no2)c([O-])c1 ZINC001217039533 1373382087 /nfs/dbraw/zinc/38/20/87/1373382087.db2.gz VBVQNZMRHSRYLS-UHFFFAOYSA-N -1 0 343.140 3.138 20 30 EGEDRM Cc1cc([O-])c([N+](=O)[O-])cc1-c1nc(-c2cc(F)cc(C#N)c2)no1 ZINC001217095454 1373386782 /nfs/dbraw/zinc/38/67/82/1373386782.db2.gz AOKUXNLTZXBMFD-UHFFFAOYSA-N -1 0 340.270 3.337 20 30 EGEDRM N#Cc1ccc(-c2csc(NC(=O)c3ccncc3[O-])n2)s1 ZINC001188627618 1388347413 /nfs/dbraw/zinc/34/74/13/1388347413.db2.gz NMMONKIFBKKZLL-UHFFFAOYSA-N -1 0 328.378 3.096 20 30 EGEDRM CC1(C)CC(=O)CC[C@@H]1Oc1[n-]c(=O)cc(C(F)(F)F)c1C#N ZINC001226064749 1375198746 /nfs/dbraw/zinc/19/87/46/1375198746.db2.gz PFORPWILNNTLMF-NSHDSACASA-N -1 0 328.290 3.204 20 30 EGEDRM CCC[C@@H](C#Cc1ccccc1)Oc1ccc(O)cc1S(=O)(=O)[O-] ZINC001226417394 1375256277 /nfs/dbraw/zinc/25/62/77/1375256277.db2.gz STRDOLIBSBGEJW-INIZCTEOSA-N -1 0 346.404 3.238 20 30 EGEDRM C=C[C@H](Oc1[nH]c(=O)nc2nc(Br)[n-]c21)c1ccccc1 ZINC001227598106 1375450393 /nfs/dbraw/zinc/45/03/93/1375450393.db2.gz UXVADEWXKMLCNS-VIFPVBQESA-N -1 0 347.172 3.127 20 30 EGEDRM CCC[C@@H](C#Cc1ccccc1)Oc1[n-]c(=O)nc2ncsc21 ZINC001227611815 1375452585 /nfs/dbraw/zinc/45/25/85/1375452585.db2.gz SJICXPACTPMZLW-ZDUSSCGKSA-N -1 0 325.393 3.391 20 30 EGEDRM COc1ccc(NC(=O)Nc2cc(C#N)c(F)cc2[O-])cc1OC ZINC001188802269 1388380249 /nfs/dbraw/zinc/38/02/49/1388380249.db2.gz LCQNZHIABURHKA-UHFFFAOYSA-N -1 0 331.303 3.064 20 30 EGEDRM C=C[C@@]1(C)CC[C@@H](C(C)(C)Oc2nc(C3CC3)[n-]c(=O)c2[N+](=O)[O-])O1 ZINC001228604966 1375614452 /nfs/dbraw/zinc/61/44/52/1375614452.db2.gz ZEOGBDVOVBYGPC-GTNSWQLSSA-N -1 0 349.387 3.249 20 30 EGEDRM COC(=O)c1cc([N+](=O)[O-])c(O[C@H](CC#N)c2ccccc2)cc1[O-] ZINC001228815127 1375686491 /nfs/dbraw/zinc/68/64/91/1375686491.db2.gz RQDUZDMGHMOGDY-OAHLLOKOSA-N -1 0 342.307 3.121 20 30 EGEDRM N#Cc1ccc(=O)[n-]c1O/C(=C\[C@@H](O)C(F)(F)F)c1cccs1 ZINC001228900261 1375709105 /nfs/dbraw/zinc/70/91/05/1375709105.db2.gz CZVRRTRLGFCQDH-DHHDDZJSSA-N -1 0 342.298 3.063 20 30 EGEDRM O=C1C=C[C@@H](Oc2c([O-])ccc3c(=O)cc(-c4ccccc4)oc32)C1 ZINC001229431518 1375833858 /nfs/dbraw/zinc/83/38/58/1375833858.db2.gz DRFNZLPEHIAPID-CQSZACIVSA-N -1 0 334.327 3.442 20 30 EGEDRM C#C[C@@H](Oc1ccc(C[C@H]2SC(=O)[N-]C2=O)cc1)c1ccccc1 ZINC001229627014 1375868629 /nfs/dbraw/zinc/86/86/29/1375868629.db2.gz VINQCGYOKOKZIT-IAGOWNOFSA-N -1 0 337.400 3.334 20 30 EGEDRM C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ccccc1C(C)(C)CC ZINC001231313993 1376228198 /nfs/dbraw/zinc/22/81/98/1376228198.db2.gz PZPUFWURZURGNW-CQSZACIVSA-N -1 0 342.457 3.212 20 30 EGEDRM COc1ccc2c(c1)c1c(n2C)CCN(Cc2cc(C#N)ccc2[O-])C1 ZINC001232679186 1376499871 /nfs/dbraw/zinc/49/98/71/1376499871.db2.gz GIVKESLURPNLDI-UHFFFAOYSA-N -1 0 347.418 3.322 20 30 EGEDRM N#Cc1sccc1[N-]S(=O)(=O)CCc1ccc(Cl)cc1 ZINC001189073849 1388452187 /nfs/dbraw/zinc/45/21/87/1388452187.db2.gz WQULLOYKQAFBJB-UHFFFAOYSA-N -1 0 326.830 3.258 20 30 EGEDRM N#Cc1c2c(sc1[N-]S(=O)(=O)CCC(F)(F)F)CCCC2 ZINC001259865466 1377124261 /nfs/dbraw/zinc/12/42/61/1377124261.db2.gz DGDIHCPQLFSDMU-UHFFFAOYSA-N -1 0 338.376 3.193 20 30 EGEDRM N#Cc1ccc(N2CCN(Cc3c(F)ccc(F)c3[O-])CC2)c(F)c1 ZINC001139685244 1377933834 /nfs/dbraw/zinc/93/38/34/1377933834.db2.gz BZOLKZRSQVHMDY-UHFFFAOYSA-N -1 0 347.340 3.003 20 30 EGEDRM CC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(O)c(C#N)c2)c1 ZINC001148858351 1379284782 /nfs/dbraw/zinc/28/47/82/1379284782.db2.gz BYMMRWHZFJFTMT-UHFFFAOYSA-N -1 0 329.743 3.128 20 30 EGEDRM CN1CCc2nc(C(=O)[N-]c3c(C#N)oc4ccccc43)sc2C1 ZINC001154214137 1380229925 /nfs/dbraw/zinc/22/99/25/1380229925.db2.gz UMCFVZRGFPPRBL-UHFFFAOYSA-N -1 0 338.392 3.001 20 30 EGEDRM COc1ccc(C(=O)Nc2cc(C#N)c(F)cc2[O-])c2cccnc12 ZINC001155488424 1380459504 /nfs/dbraw/zinc/45/95/04/1380459504.db2.gz XMUHNLUMNUWKJO-UHFFFAOYSA-N -1 0 337.310 3.212 20 30 EGEDRM C[C@H](Nc1cc(C(F)(F)F)c(C(=O)[O-])nn1)c1cccc(C#N)c1 ZINC001167710890 1383719020 /nfs/dbraw/zinc/71/90/20/1383719020.db2.gz XZQAJRDIEVXALM-QMMMGPOBSA-N -1 0 336.273 3.238 20 30 EGEDRM N#Cc1c(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)sc2c1CCC2 ZINC001174502927 1385114604 /nfs/dbraw/zinc/11/46/04/1385114604.db2.gz NUTDOZTXIHBIAF-UHFFFAOYSA-N -1 0 329.337 3.458 20 30 EGEDRM COc1cc(Nc2cnc(C#N)c(C(F)(F)F)c2)ccc1C(=O)[O-] ZINC001174684784 1385134287 /nfs/dbraw/zinc/13/42/87/1385134287.db2.gz ZQMIRDOYMFWWNO-UHFFFAOYSA-N -1 0 337.257 3.422 20 30 EGEDRM CCCCCCCOc1ccc(NC(=N[O-])c2nonc2N)cc1 ZINC001175190222 1385215516 /nfs/dbraw/zinc/21/55/16/1385215516.db2.gz KIEWHUURRLCNFM-UHFFFAOYSA-N -1 0 333.392 3.249 20 30 EGEDRM N#Cc1cnn(-c2ccc(F)cc2)c1Nc1ccc(F)c(C(=O)[O-])c1 ZINC001175215943 1385222529 /nfs/dbraw/zinc/22/25/29/1385222529.db2.gz RJERPGVXXUMUBL-UHFFFAOYSA-N -1 0 340.289 3.464 20 30 EGEDRM CCCCc1ccc(C(=O)[N-]S(=O)(=O)c2ccccc2C#N)cc1 ZINC001317886018 1385564134 /nfs/dbraw/zinc/56/41/34/1385564134.db2.gz ITNLFBYIGFTWOR-UHFFFAOYSA-N -1 0 342.420 3.020 20 30 EGEDRM Cc1ccc(C)c2c1OC/C(=C\c1cccc(OCC(=O)[O-])c1)C2=O ZINC001318461451 1385707155 /nfs/dbraw/zinc/70/71/55/1385707155.db2.gz PYZOHFQKNNJSKK-OVCLIPMQSA-N -1 0 338.359 3.426 20 30 EGEDRM Cn1c(C(=O)[O-])cc(Br)c1C=NOCc1ccccc1 ZINC001318551805 1385752163 /nfs/dbraw/zinc/75/21/63/1385752163.db2.gz HSUMLPRJFOTBMD-UHFFFAOYSA-N -1 0 337.173 3.037 20 30 EGEDRM O=C([O-])C1(C(=O)N2CCC(C#Cc3ccccc3)CC2)CCCCC1 ZINC001180438574 1386797448 /nfs/dbraw/zinc/79/74/48/1386797448.db2.gz PJTNUPZTHYAQSZ-UHFFFAOYSA-N -1 0 339.435 3.312 20 30 EGEDRM N#Cc1cc(NC(=O)C2CC(OCc3ccccc3)C2)c([O-])cc1F ZINC001180937798 1386902278 /nfs/dbraw/zinc/90/22/78/1386902278.db2.gz GNUMUUTXPRSHEZ-UHFFFAOYSA-N -1 0 340.354 3.337 20 30 EGEDRM C[C@H]1C[C@@H](CC(=O)[N-]S(=O)(=O)c2ccccc2C#N)CC(C)(C)C1 ZINC001321475279 1386913026 /nfs/dbraw/zinc/91/30/26/1386913026.db2.gz VCGPWWRQPMJXOE-KBPBESRZSA-N -1 0 348.468 3.216 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)CC2(C#N)CCCCC2)n1 ZINC001330276464 1389374754 /nfs/dbraw/zinc/37/47/54/1389374754.db2.gz AZQSAWQEVXYRCU-ZDUSSCGKSA-N -1 0 345.424 3.035 20 30 EGEDRM Cc1cccc2sc([N-]S(=O)(=O)c3ccc(CC#N)cc3)nc21 ZINC001330779434 1389524295 /nfs/dbraw/zinc/52/42/95/1389524295.db2.gz UAFXRIYMEMBCDG-UHFFFAOYSA-N -1 0 343.433 3.472 20 30 EGEDRM C=CC[C@H](NC(=O)NC[C@H](C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001330816295 1389535326 /nfs/dbraw/zinc/53/53/26/1389535326.db2.gz CSMCJBFYDAYJSU-GWCFXTLKSA-N -1 0 344.333 3.137 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)N(c2ccccc2)[C@@H]2C[C@@H]2C)cc1C#N ZINC001338198828 1389582528 /nfs/dbraw/zinc/58/25/28/1389582528.db2.gz JJTBMLQFKQPQRP-XHDPSFHLSA-N -1 0 339.420 3.436 20 30 EGEDRM CCc1ccc(C([O-])=C(C#N)C(=O)NCc2ccccc2)cc1CC ZINC001341802495 1390530925 /nfs/dbraw/zinc/53/09/25/1390530925.db2.gz NDEUFRGJLJHNNJ-IBGZPJMESA-N -1 0 334.419 3.450 20 30 EGEDRM C=C(C)Cn1c(-c2c[nH]oc2=O)nnc1N1CC[C@H](CC(C)C)C1 ZINC001342189246 1390583669 /nfs/dbraw/zinc/58/36/69/1390583669.db2.gz RDBLXTDUPKXJRY-CYBMUJFWSA-N -1 0 331.420 3.087 20 30 EGEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1ccc(Cn2cccc2)cc1 ZINC001343330566 1390707656 /nfs/dbraw/zinc/70/76/56/1390707656.db2.gz KSISMGZCOPXGTK-LJQANCHMSA-N -1 0 349.434 3.308 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)c2ncc(Cl)n2C)nn1[C@@H](C)C1CC1 ZINC001345642378 1390871486 /nfs/dbraw/zinc/87/14/86/1390871486.db2.gz IPMZLBSNSCSZHJ-CMPLNLGQSA-N -1 0 331.807 3.040 20 30 EGEDRM C=CCC[C@@H]1CCCN1C(=O)c1ccc(OCC(=O)[O-])c(OCC)c1 ZINC001345795768 1390885180 /nfs/dbraw/zinc/88/51/80/1390885180.db2.gz KRGSKOQDMVFIEK-OAHLLOKOSA-N -1 0 347.411 3.120 20 30 EGEDRM Cc1ccccc1[C@@H](C)CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000737421320 1428980337 /nfs/dbraw/zinc/98/03/37/1428980337.db2.gz LIOWSWGNLDJWQS-ZDUSSCGKSA-N -1 0 346.394 3.179 20 30 EGEDRM C#CCOc1ccc(F)cc1N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000823856135 1429090894 /nfs/dbraw/zinc/09/08/94/1429090894.db2.gz KHDWSCHWLYMLBO-LBPRGKRZSA-N -1 0 337.358 3.191 20 30 EGEDRM CCN(C)c1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821164513 1429147419 /nfs/dbraw/zinc/14/74/19/1429147419.db2.gz FQENUXHYBZAYCL-NTMALXAHSA-N -1 0 339.424 3.280 20 30 EGEDRM CCCCCCCCOCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736447690 1429183753 /nfs/dbraw/zinc/18/37/53/1429183753.db2.gz GPDUQCYQJOLPMS-UHFFFAOYSA-N -1 0 331.420 3.182 20 30 EGEDRM Fc1ccc(C2CC(=NNCc3ccc(-c4nn[n-]n4)cc3)C2)cc1 ZINC000822767077 1429208107 /nfs/dbraw/zinc/20/81/07/1429208107.db2.gz WBFPNIVMIBKHQE-UHFFFAOYSA-N -1 0 336.374 3.029 20 30 EGEDRM C[C@H](NCC1(C#N)CC1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824579098 1429511870 /nfs/dbraw/zinc/51/18/70/1429511870.db2.gz XKQBVPVNLJAXBC-AWEZNQCLSA-N -1 0 344.422 3.488 20 30 EGEDRM CCOc1cccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000825649577 1423356922 /nfs/dbraw/zinc/35/69/22/1423356922.db2.gz SHDRNTAQKGHAJK-VQHVLOKHSA-N -1 0 338.342 3.301 20 30 EGEDRM C=CCN(Cc1ccc(F)c(-c2nn[n-]n2)c1)Cc1ccccc1F ZINC000819744161 1423558982 /nfs/dbraw/zinc/55/89/82/1423558982.db2.gz YLNSOQCATCIIBF-UHFFFAOYSA-N -1 0 341.365 3.333 20 30 EGEDRM C=CCC(CC=C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000819734468 1423738685 /nfs/dbraw/zinc/73/86/85/1423738685.db2.gz OQSGZUVPBKBHOH-UHFFFAOYSA-N -1 0 329.429 3.124 20 30 EGEDRM C#CCOc1ccccc1CNc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000735388058 1423770132 /nfs/dbraw/zinc/77/01/32/1423770132.db2.gz QDAIWAHIMSZNAE-UHFFFAOYSA-N -1 0 339.786 3.144 20 30 EGEDRM CCc1ccc(C=NOCc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000736684183 1423774077 /nfs/dbraw/zinc/77/40/77/1423774077.db2.gz VUDVRHFDFXVEIA-UHFFFAOYSA-N -1 0 325.347 3.119 20 30 EGEDRM CN(C)c1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc1 ZINC000821589400 1424049264 /nfs/dbraw/zinc/04/92/64/1424049264.db2.gz MBXYSPIMEJRLAL-RVDMUPIBSA-N -1 0 345.406 3.145 20 30 EGEDRM C[C@H]1C[C@@H]1c1ccc(C=NNc2cc(-c3nnn[n-]3)cc(Cl)n2)o1 ZINC000824897830 1424722019 /nfs/dbraw/zinc/72/20/19/1424722019.db2.gz BNOIHFHNJVRNGV-KWQFWETISA-N -1 0 343.778 3.078 20 30 EGEDRM COc1cc(C)c(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000826177505 1425147594 /nfs/dbraw/zinc/14/75/94/1425147594.db2.gz LEKGGLPBZSYLLS-BQYQJAHWSA-N -1 0 334.379 3.388 20 30 EGEDRM O=C1C(=Cc2cc(-c3nnn[n-]3)cs2)CCc2cc(F)ccc21 ZINC000823498233 1425337336 /nfs/dbraw/zinc/33/73/36/1425337336.db2.gz ICLSMWRHHFWCCN-POHAHGRESA-N -1 0 326.356 3.280 20 30 EGEDRM COc1ccc(C=CC(=O)c2ccc(C)c(C)c2)cc1-c1nn[n-]n1 ZINC000737081205 1426679281 /nfs/dbraw/zinc/67/92/81/1426679281.db2.gz LSBTUNKDQXKXPI-VMPITWQZSA-N -1 0 334.379 3.388 20 30 EGEDRM O=C(C=Cc1cccc(-n2cccn2)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000826400700 1426701830 /nfs/dbraw/zinc/70/18/30/1426701830.db2.gz FOLDTDMWCHILJW-AATRIKPKSA-N -1 0 348.391 3.010 20 30 EGEDRM CCN(C)c1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821164512 1426985390 /nfs/dbraw/zinc/98/53/90/1426985390.db2.gz FQENUXHYBZAYCL-CSKARUKUSA-N -1 0 339.424 3.280 20 30 EGEDRM COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)c(Cl)c1 ZINC000826190790 1427144303 /nfs/dbraw/zinc/14/43/03/1427144303.db2.gz NNRKAHPCBUWEMB-HWKANZROSA-N -1 0 346.799 3.486 20 30 EGEDRM CC[C@@H]1C[C@@H](CN=Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CCO1 ZINC000825181726 1427553377 /nfs/dbraw/zinc/55/33/77/1427553377.db2.gz FXCPHJWYLJGDBO-CMPLNLGQSA-N -1 0 334.811 3.123 20 30 EGEDRM CC[C@@H](CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736333519 1427949884 /nfs/dbraw/zinc/94/98/84/1427949884.db2.gz RTOGHMGWIQLMNY-ZDUSSCGKSA-N -1 0 346.394 3.261 20 30 EGEDRM CC(C)(C#N)CCSc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000819891773 1441552108 /nfs/dbraw/zinc/55/21/08/1441552108.db2.gz GWFNDIKGRGDKLA-UHFFFAOYSA-N -1 0 328.445 3.172 20 30 EGEDRM CCC(=NNc1cccc(-c2nn[n-]n2)c1)c1cc(C)ccc1OC ZINC000825029696 1441773908 /nfs/dbraw/zinc/77/39/08/1441773908.db2.gz YKBYHFDBWNRVKK-UHFFFAOYSA-N -1 0 336.399 3.410 20 30 EGEDRM C#CC[C@H](Nc1ncc(Cl)c(C)c1-c1nn[n-]n1)c1ccccc1 ZINC000823838529 1442454243 /nfs/dbraw/zinc/45/42/43/1442454243.db2.gz QWUJKRUKYFQUFT-AWEZNQCLSA-N -1 0 338.802 3.400 20 30 EGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cscc1C ZINC000819745679 1443183504 /nfs/dbraw/zinc/18/35/04/1443183504.db2.gz OYKMCCNOUNBUAW-UHFFFAOYSA-N -1 0 339.424 3.065 20 30 EGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CC(CC)CC ZINC000819743220 1443246843 /nfs/dbraw/zinc/24/68/43/1443246843.db2.gz GCIWASNUGITSSW-UHFFFAOYSA-N -1 0 327.432 3.208 20 30 EGEDRM CC1(C)CCC(=CC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)CC1 ZINC000824796942 1443300847 /nfs/dbraw/zinc/30/08/47/1443300847.db2.gz UXLHKYIPRKBKFW-UHFFFAOYSA-N -1 0 336.399 3.203 20 30 EGEDRM O=C(C=Cc1cccc2cnccc12)c1cccc(-c2nn[n-]n2)c1 ZINC000826400846 1446129428 /nfs/dbraw/zinc/12/94/28/1446129428.db2.gz JRHUUWBCWNZXKT-BQYQJAHWSA-N -1 0 327.347 3.311 20 30 EGEDRM C=C(C)CN(C)C(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000823873581 1446347140 /nfs/dbraw/zinc/34/71/40/1446347140.db2.gz NPUPBCZXWGYDNM-UHFFFAOYSA-N -1 0 349.394 3.307 20 30 EGEDRM Clc1cccc(C#CCSc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000822586270 1446374647 /nfs/dbraw/zinc/37/46/47/1446374647.db2.gz WCYJTHZQTYCJIS-UHFFFAOYSA-N -1 0 327.800 3.059 20 30 EGEDRM CCOc1ccccc1C=CC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000825653422 1446602340 /nfs/dbraw/zinc/60/23/40/1446602340.db2.gz CHQDPKVZDRBNIP-FPLPWBNLSA-N -1 0 326.381 3.223 20 30 EGEDRM CC(=NNc1cc(C)ccc1F)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823958374 1447276775 /nfs/dbraw/zinc/27/67/75/1447276775.db2.gz LSSXKQKUCAFCER-UHFFFAOYSA-N -1 0 328.326 3.289 20 30 EGEDRM C=CCCO[C@H](C)C(=O)N[C@@](CC)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000262165955 939061361 /nfs/dbraw/zinc/06/13/61/939061361.db2.gz QCJZMDLKGUSPOZ-SJKOYZFVSA-N -1 0 339.819 3.127 20 30 EGEDRM C=C[C@H](CC)CC(=O)N[C@H](C(=O)[O-])c1ccc(OC)c(Cl)c1 ZINC000907673696 939300797 /nfs/dbraw/zinc/30/07/97/939300797.db2.gz QYGBHDGJCSVGPN-BMIGLBTASA-N -1 0 325.792 3.193 20 30 EGEDRM C#CCCCCC(=O)N[C@H](C(=O)[O-])c1ccccc1OC(F)(F)F ZINC000910934232 939758108 /nfs/dbraw/zinc/75/81/08/939758108.db2.gz BKAOKNFSAFWDLS-AWEZNQCLSA-N -1 0 343.301 3.021 20 30 EGEDRM CC(C)Cc1nc(-c2nnn[n-]2)c(N=NC[C@H]2CCCC[C@@H]2C)o1 ZINC000824280638 946644966 /nfs/dbraw/zinc/64/49/66/946644966.db2.gz RQEJOTFDMHRLFA-NWDGAFQWSA-N -1 0 331.424 3.277 20 30 EGEDRM C=C(CNC(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1)c1ccccc1 ZINC001602712364 971355370 /nfs/dbraw/zinc/35/53/70/971355370.db2.gz OJONLPHGVXJBEZ-HXUWFJFHSA-N -1 0 338.407 3.042 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC(C)(C)[C@H](c2ccccc2)C1 ZINC001602778212 971510806 /nfs/dbraw/zinc/51/08/06/971510806.db2.gz CZQAGBTWERZSKK-HNAYVOBHSA-N -1 0 328.412 3.033 20 30 EGEDRM C=CCCN(C)C(=O)Nc1cc(C(=O)[O-])ccc1Br ZINC000306023814 950591195 /nfs/dbraw/zinc/59/11/95/950591195.db2.gz MJFRGXYHLOFEJF-UHFFFAOYSA-N -1 0 327.178 3.187 20 30 EGEDRM C#CCN(CC(=O)[O-])Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000322411047 951030331 /nfs/dbraw/zinc/03/03/31/951030331.db2.gz YZWAILRUVNOCPQ-UHFFFAOYSA-N -1 0 339.235 3.244 20 30 EGEDRM C[C@@H]1CN(C(=O)c2ccc(C#Cc3ccccc3)cc2)CC[C@H]1C(=O)[O-] ZINC001589393450 954351274 /nfs/dbraw/zinc/35/12/74/954351274.db2.gz YGGHEXBEWQHCDS-OXQOHEQNSA-N -1 0 347.414 3.269 20 30 EGEDRM C[C@@H](COC(=O)[C@@](C)(C#N)CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001589075287 955804309 /nfs/dbraw/zinc/80/43/09/955804309.db2.gz MCXAOZFLSHBVMF-ZUZCIYMTSA-N -1 0 343.301 3.357 20 30 EGEDRM C[C@H](NC(=O)Nc1ccc(CCC#N)cc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589108695 956049421 /nfs/dbraw/zinc/04/94/21/956049421.db2.gz RRPJYCCBKZSLEB-VBNZEHGJSA-N -1 0 343.427 3.400 20 30 EGEDRM C[C@@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589117473 956103375 /nfs/dbraw/zinc/10/33/75/956103375.db2.gz GQDQIEPMEXZZDU-UHOFOFEASA-N -1 0 342.439 3.353 20 30 EGEDRM N#Cc1c(NC(=O)CCC(=O)[O-])sc2c1-c1ccccc1CC2 ZINC001594614331 956230458 /nfs/dbraw/zinc/23/04/58/956230458.db2.gz RXGBPARIMHTDGR-UHFFFAOYSA-N -1 0 326.377 3.189 20 30 EGEDRM N#Cc1ccc(NC2CC2)c(NC(=O)c2coc(/C=C/C(=O)[O-])c2)c1 ZINC001594622648 956290825 /nfs/dbraw/zinc/29/08/25/956290825.db2.gz CVRDTVFIAXJAIM-GQCTYLIASA-N -1 0 337.335 3.076 20 30 EGEDRM N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCCc3cc(C(=O)[O-])ccc32)c1 ZINC001594628689 956335078 /nfs/dbraw/zinc/33/50/78/956335078.db2.gz KRZFZZHQEHHXGQ-ZWKOTPCHSA-N -1 0 346.386 3.339 20 30 EGEDRM C[C@H](SCC(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1)C(=O)[O-] ZINC001589169162 956454276 /nfs/dbraw/zinc/45/42/76/956454276.db2.gz VMBJYBAGKMBLDG-JQWIXIFHSA-N -1 0 346.433 3.193 20 30 EGEDRM CC1(C(=O)[O-])CCN(C(=O)c2c(Cl)cc(C#N)cc2Cl)CC1 ZINC001589193558 956603368 /nfs/dbraw/zinc/60/33/68/956603368.db2.gz ANEGWXSMPHNOIC-UHFFFAOYSA-N -1 0 341.194 3.192 20 30 EGEDRM CC(C)(C)CN(CCC#N)Cc1ccc(N2CCC(C(=O)[O-])CC2)o1 ZINC000904194233 956921756 /nfs/dbraw/zinc/92/17/56/956921756.db2.gz YJBWCDOBKQKWKL-UHFFFAOYSA-N -1 0 347.459 3.342 20 30 EGEDRM Cc1ccc(C(=O)/C=C/c2ccc(OCC(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000016408896 957098067 /nfs/dbraw/zinc/09/80/67/957098067.db2.gz JIRUPKMOAOLRBE-WEVVVXLNSA-N -1 0 341.319 3.263 20 30 EGEDRM C#CCN(C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21)C1CCCCC1 ZINC001121927375 957239036 /nfs/dbraw/zinc/23/90/36/957239036.db2.gz WAZTVLAETCPXCM-QZTJIDSGSA-N -1 0 340.423 3.277 20 30 EGEDRM COc1cc(C#N)ccc1C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001594049044 957960930 /nfs/dbraw/zinc/96/09/30/957960930.db2.gz BWRUHADWBMZPND-UHFFFAOYSA-N -1 0 348.717 3.310 20 30 EGEDRM C#C[C@@H](NC(=O)Nc1ccccc1CC(=O)[O-])c1ccc(Cl)cc1 ZINC001588385481 957971012 /nfs/dbraw/zinc/97/10/12/957971012.db2.gz GHFMTPQXFWSSQW-OAHLLOKOSA-N -1 0 342.782 3.463 20 30 EGEDRM C#CCCOc1ccc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC001588395262 958039195 /nfs/dbraw/zinc/03/91/95/958039195.db2.gz FBZCRVUBWDVWRK-MOPGFXCFSA-N -1 0 349.386 3.132 20 30 EGEDRM Cc1cc(N[C@H]2CCC[C@H]2C(=O)[O-])n2c3ccccc3nc2c1C#N ZINC001594325355 958163061 /nfs/dbraw/zinc/16/30/61/958163061.db2.gz RRDBMORJAHNSSD-OCCSQVGLSA-N -1 0 334.379 3.333 20 30 EGEDRM O=C([O-])c1ccc(/C=C\C(=O)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000096893580 958342171 /nfs/dbraw/zinc/34/21/71/958342171.db2.gz USPIQDQGHYKBKJ-XGICHPGQSA-N -1 0 335.359 3.408 20 30 EGEDRM O=C([O-])COc1ccc(/C=C\C(=O)c2ccsc2)cc1[N+](=O)[O-] ZINC000104106672 958361210 /nfs/dbraw/zinc/36/12/10/958361210.db2.gz RRMMMKSKECXZFK-IWQZZHSRSA-N -1 0 333.321 3.016 20 30 EGEDRM C=CCC1(C(=O)N2CCCc3cc(C(=O)[O-])ccc32)CCOCC1 ZINC001588457718 958454085 /nfs/dbraw/zinc/45/40/85/958454085.db2.gz KPZJTBACPWBYSH-UHFFFAOYSA-N -1 0 329.396 3.037 20 30 EGEDRM C#Cc1cccc(N(Cc2ccco2)C(=O)c2ccc(C(=O)[O-])cn2)c1 ZINC001573327634 958491682 /nfs/dbraw/zinc/49/16/82/958491682.db2.gz SNANZRYEFBPHGU-UHFFFAOYSA-N -1 0 346.342 3.201 20 30 EGEDRM C=CCc1cc(OC)ccc1OC(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001588470191 958523632 /nfs/dbraw/zinc/52/36/32/958523632.db2.gz GUAXRKQFTFTLFS-SOFGYWHQSA-N -1 0 328.320 3.334 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@@H](CCCc2ccccc2)C1 ZINC001573359997 958589859 /nfs/dbraw/zinc/58/98/59/958589859.db2.gz OHXDJJMGMLKPQN-YLJYHZDGSA-N -1 0 342.439 3.252 20 30 EGEDRM C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC001588545398 958996868 /nfs/dbraw/zinc/99/68/68/958996868.db2.gz SPGLCKQLMQFDNE-KBPBESRZSA-N -1 0 345.399 3.229 20 30 EGEDRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1 ZINC001588635335 959652265 /nfs/dbraw/zinc/65/22/65/959652265.db2.gz IIQTZFJDGGRFQZ-VXGBXAGGSA-N -1 0 342.317 3.133 20 30 EGEDRM Cc1c(Cl)cnc(NC[C@](C)(C(=O)[O-])c2ccccc2)c1C#N ZINC001594262903 959714185 /nfs/dbraw/zinc/71/41/85/959714185.db2.gz UPNSIMHCGJCBFV-KRWDZBQOSA-N -1 0 329.787 3.370 20 30 EGEDRM Cc1cc(C(=O)N2CCCc3cc(C(=O)[O-])ccc32)cc(C)c1C#N ZINC001574312769 960770359 /nfs/dbraw/zinc/77/03/59/960770359.db2.gz WSYMEOSXXKQJHK-UHFFFAOYSA-N -1 0 334.375 3.466 20 30 EGEDRM CO[C@@H](C)CC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000237309535 960907679 /nfs/dbraw/zinc/90/76/79/960907679.db2.gz SNWIXMIHUOAKAS-AWEZNQCLSA-N -1 0 337.375 3.148 20 30 EGEDRM N#Cc1ccc(Cn2cc(NCc3ccc(C(=O)[O-])cc3)cn2)cc1 ZINC001574489197 961704805 /nfs/dbraw/zinc/70/48/05/961704805.db2.gz ZXPUEUDFPZRJAS-UHFFFAOYSA-N -1 0 332.363 3.113 20 30 EGEDRM C#CCCN(CCOC)C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC001573301494 962628023 /nfs/dbraw/zinc/62/80/23/962628023.db2.gz DTDPDLTUTVDHNG-UHFFFAOYSA-N -1 0 346.408 3.103 20 30 EGEDRM C#Cc1cncc(C(=O)Nc2cc(Cl)c(Cl)cc2C(=O)[O-])c1 ZINC001573313875 962738689 /nfs/dbraw/zinc/73/86/89/962738689.db2.gz SPDINWOIMRUZCQ-UHFFFAOYSA-N -1 0 335.146 3.320 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)NCc1cccc(OC)c1OC1CCCC1 ZINC001573338012 962871727 /nfs/dbraw/zinc/87/17/27/962871727.db2.gz VVOATNPHLFUGMU-UHFFFAOYSA-N -1 0 347.411 3.054 20 30 EGEDRM C=CC[C@@H](NC(=O)c1[nH]c2ccccc2c1CC(=O)[O-])c1ccncc1 ZINC001573350152 962966538 /nfs/dbraw/zinc/96/65/38/962966538.db2.gz DBMLNZIIMIVQHN-MRXNPFEDSA-N -1 0 349.390 3.237 20 30 EGEDRM C=CCCC[C@H](NC(=O)CCOc1ccc(F)c(Cl)c1)C(=O)[O-] ZINC001573358479 963028211 /nfs/dbraw/zinc/02/82/11/963028211.db2.gz ZZKLQPYELMWFDQ-AWEZNQCLSA-N -1 0 343.782 3.174 20 30 EGEDRM C=CCCCCn1c(C2CCC2)nnc1N1CCC[C@@H](C(=O)[O-])C1 ZINC001573365438 963053827 /nfs/dbraw/zinc/05/38/27/963053827.db2.gz GMVMRGDREBLUCA-OAHLLOKOSA-N -1 0 332.448 3.203 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1ccc(Cl)c2ncccc12)C(=O)[O-] ZINC001573366276 963058187 /nfs/dbraw/zinc/05/81/87/963058187.db2.gz KXYPKYMQURMCMC-AWEZNQCLSA-N -1 0 332.787 3.428 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1ccc(OC(F)F)c(Cl)c1)C(=O)[O-] ZINC001573367571 963067610 /nfs/dbraw/zinc/06/76/10/963067610.db2.gz XVMQMFYDHUMIEP-NSHDSACASA-N -1 0 347.745 3.481 20 30 EGEDRM C=C[C@@H](C)NC(=O)Nc1cc(C(=O)[O-])c(Br)cc1C ZINC000311917572 963522465 /nfs/dbraw/zinc/52/24/65/963522465.db2.gz DDCFZSBRRVOOIP-MRVPVSSYSA-N -1 0 327.178 3.152 20 30 EGEDRM N#Cc1cc(Br)ccc1CN1CCCC[C@H]1CC(=O)[O-] ZINC000312281904 963550557 /nfs/dbraw/zinc/55/05/57/963550557.db2.gz KCDUNLOGIJABIU-AWEZNQCLSA-N -1 0 337.217 3.150 20 30 EGEDRM C=C(CC)CNC(=O)Nc1cc(C(=O)[O-])ccc1Br ZINC000313495667 967961339 /nfs/dbraw/zinc/96/13/39/967961339.db2.gz XUXRBITWLCBGBF-UHFFFAOYSA-N -1 0 327.178 3.235 20 30 EGEDRM CC(C)C[C@@H](CNC(=O)N(C)[C@@H](C)c1cccc(C#N)c1)C(=O)[O-] ZINC001121899181 969682063 /nfs/dbraw/zinc/68/20/63/969682063.db2.gz AAZCGORDFVLCJZ-BBRMVZONSA-N -1 0 331.416 3.008 20 30 EGEDRM C#CC[C@@H](Cc1ccccc1)NC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001609623799 970421913 /nfs/dbraw/zinc/42/19/13/970421913.db2.gz DRHOVEXTMWEFBZ-KRWDZBQOSA-N -1 0 336.391 3.070 20 30 EGEDRM C=C(C)Cn1c(-c2ccccc2Cl)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001609626312 970428062 /nfs/dbraw/zinc/42/80/62/970428062.db2.gz RWDLRWPCKHQALJ-LBPRGKRZSA-N -1 0 346.818 3.086 20 30 EGEDRM Cc1c2cc(C#N)ccc2sc1C(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C ZINC001605074386 972700187 /nfs/dbraw/zinc/70/01/87/972700187.db2.gz NJSPTCGGUNUGOP-MFKMUULPSA-N -1 0 342.420 3.407 20 30 EGEDRM CCC(CC)(C(=O)[O-])C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC001603524530 973562332 /nfs/dbraw/zinc/56/23/32/973562332.db2.gz YTVUMOFQZWQDRG-UHFFFAOYSA-N -1 0 341.329 3.064 20 30 EGEDRM N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CC[C@H]2C(=O)[O-])cc1 ZINC001605575724 973840206 /nfs/dbraw/zinc/84/02/06/973840206.db2.gz CVSLWXAFCZWNRL-RCCFBDPRSA-N -1 0 334.375 3.391 20 30 EGEDRM O=C([O-])c1ccc(C(=O)N(O)Cc2cc(Cl)cc(Cl)c2)nc1 ZINC001606471196 973944406 /nfs/dbraw/zinc/94/44/06/973944406.db2.gz CGQDTXHEHDRETB-UHFFFAOYSA-N -1 0 341.150 3.118 20 30 EGEDRM CCN(C(=O)Nc1ccccc1S[C@H](C)CC#N)[C@@H](C)C(=O)[O-] ZINC001603715116 974131260 /nfs/dbraw/zinc/13/12/60/974131260.db2.gz BYYUIXNBGDGZIA-NEPJUHHUSA-N -1 0 335.429 3.408 20 30 EGEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)NC1CC(CC(=O)[O-])C1 ZINC001592226467 977419608 /nfs/dbraw/zinc/41/96/08/977419608.db2.gz YREZYRIPWJNSCK-PNESKVBLSA-N -1 0 347.440 3.456 20 30 EGEDRM C[C@@H](CCCC#C[Si](C)(C)C)OC(=O)c1ccc(C(=O)[O-])nc1 ZINC001592478731 978253594 /nfs/dbraw/zinc/25/35/94/978253594.db2.gz XZUGNVQPLOTJEF-ZDUSSCGKSA-N -1 0 333.460 3.376 20 30 EGEDRM CC(N=Nc1oc(C(C)(C)C)nc1C#N)c1ccc(C(=O)[O-])cc1 ZINC000746497646 978685754 /nfs/dbraw/zinc/68/57/54/978685754.db2.gz BCOFVKKCCVRPQS-UHFFFAOYSA-N -1 0 326.356 3.378 20 30 EGEDRM Cc1nn2c(C=NNc3ccccc3C(=O)[O-])c(C(C)C)nc2s1 ZINC000766692097 978724349 /nfs/dbraw/zinc/72/43/49/978724349.db2.gz FKLZGLHFQDTJKU-UHFFFAOYSA-N -1 0 343.412 3.367 20 30 EGEDRM Cc1cc(CN=Nc2ccccc2C(=O)[O-])c(C)n1C[C@H]1CCCO1 ZINC000812445215 978869840 /nfs/dbraw/zinc/86/98/40/978869840.db2.gz NBEIDJNDGLJPBE-MRXNPFEDSA-N -1 0 341.411 3.428 20 30 EGEDRM CC[C@@H](CC(=O)N1CCC(C#N)(C(=O)[O-])CC1)c1ccc(C)cc1 ZINC001595033684 979178029 /nfs/dbraw/zinc/17/80/29/979178029.db2.gz PVQXKUZLWLIYOA-HNNXBMFYSA-N -1 0 328.412 3.096 20 30 EGEDRM O=C([O-])Cc1ccc(NN=Cc2cnc([C@H]3CCCO3)s2)cc1 ZINC000848415262 979468259 /nfs/dbraw/zinc/46/82/59/979468259.db2.gz KXLFGJXBQRNZHG-CQSZACIVSA-N -1 0 331.397 3.068 20 30 EGEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)OCc1ccsc1C(=O)[O-] ZINC001592834367 979575598 /nfs/dbraw/zinc/57/55/98/979575598.db2.gz PRRMYIFUXLTCBK-LLVKDONJSA-N -1 0 329.377 3.240 20 30 EGEDRM CC(C)(C)c1nc(C#N)c(N=NCc2ccc(C(=O)[O-])c(F)c2)o1 ZINC000853297747 979604545 /nfs/dbraw/zinc/60/45/45/979604545.db2.gz KEZQXLJJBMXEMK-UHFFFAOYSA-N -1 0 330.319 3.127 20 30 EGEDRM CC[C@](NC(=O)C#Cc1cccs1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595228300 980084001 /nfs/dbraw/zinc/08/40/01/980084001.db2.gz FMBXYLJJFSJUSL-QGZVFWFLSA-N -1 0 347.823 3.259 20 30 EGEDRM N#Cc1cc(N[C@@H](CCC(=O)[O-])Cc2ccccc2)nc(C2CC2)n1 ZINC000900960458 980254213 /nfs/dbraw/zinc/25/42/13/980254213.db2.gz BAQHIMVYNHFTCP-HNNXBMFYSA-N -1 0 336.395 3.114 20 30 EGEDRM CC[C@@H]1CCCC[C@@H]1OCC(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001595448462 981098960 /nfs/dbraw/zinc/09/89/60/981098960.db2.gz QRVUKXYLCTVPAU-UWWQBHOKSA-N -1 0 345.395 3.213 20 30 EGEDRM C#CCC1(C(=O)N2CCc3cccc(C(=O)[O-])c3C2)CCCCC1 ZINC000909870405 981692856 /nfs/dbraw/zinc/69/28/56/981692856.db2.gz ZHSSXAPDDORAPC-UHFFFAOYSA-N -1 0 325.408 3.243 20 30 EGEDRM C=CCCC[C@H](NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1)c1ccccc1 ZINC000910515798 981981561 /nfs/dbraw/zinc/98/15/61/981981561.db2.gz HLCCAQBHWFQVMM-XLNGHYISSA-N -1 0 331.412 3.078 20 30 EGEDRM C#Cc1ccc(C(=O)N2CCC[C@@H]2c2nc(C(=O)[O-])c(C)s2)cc1 ZINC000910719941 982082047 /nfs/dbraw/zinc/08/20/47/982082047.db2.gz CRHZUKWTUKHXRO-CQSZACIVSA-N -1 0 340.404 3.108 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1ccc(-c2ccco2)nc1C)C(=O)[O-] ZINC000910913271 982161704 /nfs/dbraw/zinc/16/17/04/982161704.db2.gz UNOHJXHPSQZXIH-OAHLLOKOSA-N -1 0 328.368 3.189 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1[nH]c2ccc(F)cc2c1Cl)C(=O)[O-] ZINC000910914881 982162566 /nfs/dbraw/zinc/16/25/66/982162566.db2.gz OXEOWSPKEMGYSF-GFCCVEGCSA-N -1 0 338.766 3.500 20 30 EGEDRM C=CCCC[C@H](NC(=O)[C@@H](C)Cc1cncc2ccccc21)C(=O)[O-] ZINC000910921617 982164926 /nfs/dbraw/zinc/16/49/26/982164926.db2.gz DBBCBLYUTXRHAE-KSSFIOAISA-N -1 0 340.423 3.339 20 30 EGEDRM C=CCCC[C@@H](NC(=O)[C@@H](C)Cc1cncc2ccccc21)C(=O)[O-] ZINC000910921615 982165157 /nfs/dbraw/zinc/16/51/57/982165157.db2.gz DBBCBLYUTXRHAE-KBXCAEBGSA-N -1 0 340.423 3.339 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1c(C)onc1-c1cccc(F)c1)C(=O)[O-] ZINC000910924113 982166363 /nfs/dbraw/zinc/16/63/63/982166363.db2.gz CEMQVVXAKMIRNY-CQSZACIVSA-N -1 0 346.358 3.328 20 30 EGEDRM CCCCCCCCCC(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001595704583 982277222 /nfs/dbraw/zinc/27/72/22/982277222.db2.gz BKEQKYNCIAZNLA-MAUKXSAKSA-N -1 0 325.449 3.077 20 30 EGEDRM CC[C@@H](C)C[C@H](NC(=O)C#Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001594937594 982601118 /nfs/dbraw/zinc/60/11/18/982601118.db2.gz WUFMLWMJXMWVDM-RISCZKNCSA-N -1 0 341.329 3.063 20 30 EGEDRM C#C[C@H](NC(=O)c1cccc(C(=O)[O-])c1)c1ccc(Cl)cc1F ZINC001588376758 983353903 /nfs/dbraw/zinc/35/39/03/983353903.db2.gz GRCUWCBNMZQNNN-HNNXBMFYSA-N -1 0 331.730 3.282 20 30 EGEDRM C#C[C@H](NCc1ccoc1C(=O)[O-])c1ccc(Br)cc1 ZINC001588377903 983360342 /nfs/dbraw/zinc/36/03/42/983360342.db2.gz RULZEZXTEFWKCL-ZDUSSCGKSA-N -1 0 334.169 3.204 20 30 EGEDRM C#CC[C@@H](Cc1ccccc1)NC(=O)CC1(CC(=O)[O-])CCCC1 ZINC001588395407 983405847 /nfs/dbraw/zinc/40/58/47/983405847.db2.gz QRJIXJYOYUKMLP-KRWDZBQOSA-N -1 0 327.424 3.162 20 30 EGEDRM C#CCOc1ccccc1CNCc1cc(C(=O)[O-])ccc1Cl ZINC001588504577 983548261 /nfs/dbraw/zinc/54/82/61/983548261.db2.gz FDMVYIVWKDOTPE-UHFFFAOYSA-N -1 0 329.783 3.340 20 30 EGEDRM C=C(C)[C@@H](CC(=O)N(CC(=O)[O-])[C@@H](CC)c1ccccc1)OCC ZINC001588530316 983584321 /nfs/dbraw/zinc/58/43/21/983584321.db2.gz ZEQLIQPAGIVJOL-DLBZAZTESA-N -1 0 333.428 3.422 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)CCCc1ccc2c(c1)CCCC2)C(=O)[O-] ZINC001588541076 983606286 /nfs/dbraw/zinc/60/62/86/983606286.db2.gz RRGNSSAOWWRVQN-GOSISDBHSA-N -1 0 329.440 3.424 20 30 EGEDRM C=C(C)C[C@H](NC(=O)c1ccc(Nc2nc(C)cs2)cc1)C(=O)[O-] ZINC001588546449 983615565 /nfs/dbraw/zinc/61/55/65/983615565.db2.gz LIISBNIFFONFAD-AWEZNQCLSA-N -1 0 345.424 3.344 20 30 EGEDRM C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1cccc(C(=O)[O-])n1 ZINC001588567856 983647806 /nfs/dbraw/zinc/64/78/06/983647806.db2.gz ULGIBKQRHMOAQU-UHFFFAOYSA-N -1 0 328.416 3.136 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N(C)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001588607261 983700155 /nfs/dbraw/zinc/70/01/55/983700155.db2.gz XMPJPRARTILWBR-HOTGVXAUSA-N -1 0 331.412 3.112 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1 ZINC001588619635 983718054 /nfs/dbraw/zinc/71/80/54/983718054.db2.gz ZXTVRYZAUHNPDF-LBPRGKRZSA-N -1 0 327.167 3.095 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC001588623092 983726379 /nfs/dbraw/zinc/72/63/79/983726379.db2.gz JOLDPGHCKDALPA-GFCCVEGCSA-N -1 0 346.814 3.216 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)NCc1ccc(-c2csc(C)n2)cc1 ZINC001588629425 983737296 /nfs/dbraw/zinc/73/72/96/983737296.db2.gz AOLNFSWAVOAGTC-UHFFFAOYSA-N -1 0 330.409 3.156 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(OCc2ccccc2)nc1 ZINC001588633188 983748129 /nfs/dbraw/zinc/74/81/29/983748129.db2.gz DMZVSNYWLAZGAN-UHFFFAOYSA-N -1 0 326.352 3.020 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc2nc(N3CCCC3)sc2c1 ZINC001588633728 983750866 /nfs/dbraw/zinc/75/08/66/983750866.db2.gz NGMYANMBQGJPPE-UHFFFAOYSA-N -1 0 345.424 3.256 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc2nc(-c3ccccn3)oc2c1 ZINC001588634638 983753487 /nfs/dbraw/zinc/75/34/87/983753487.db2.gz YQXWRTUMJNXJCN-UHFFFAOYSA-N -1 0 337.335 3.249 20 30 EGEDRM C=C[C@H](C(=O)NC[C@@H](Cc1cccc(C)c1)C(=O)[O-])c1ccccc1 ZINC001588663514 983795546 /nfs/dbraw/zinc/79/55/46/983795546.db2.gz IPJSDVNNSLKXFZ-MOPGFXCFSA-N -1 0 337.419 3.324 20 30 EGEDRM C=C[C@H](CC(=O)NC[C@@H](C(=O)[O-])c1ccc(F)cc1)c1ccccc1 ZINC001588690487 983874491 /nfs/dbraw/zinc/87/44/91/983874491.db2.gz AGWYMTQYGQPXLK-RDTXWAMCSA-N -1 0 341.382 3.470 20 30 EGEDRM CCN(C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)c1ccc(C#N)c(Cl)c1 ZINC001596384288 983910650 /nfs/dbraw/zinc/91/06/50/983910650.db2.gz QVKHKLHFUOMGNY-HAQNSBGRSA-N -1 0 334.803 3.456 20 30 EGEDRM C=C[C@H](Sc1nnc(-c2ccncc2)n1-c1ccccc1)C(=O)[O-] ZINC001588714200 983950269 /nfs/dbraw/zinc/95/02/69/983950269.db2.gz BKDZKHQFXUYSTF-AWEZNQCLSA-N -1 0 338.392 3.061 20 30 EGEDRM C=C[C@H](Sc1nnc(-c2ccc(OC(F)F)cc2)o1)C(=O)[O-] ZINC001588714165 983950415 /nfs/dbraw/zinc/95/04/15/983950415.db2.gz AGOLEAOGTGZTLB-VIFPVBQESA-N -1 0 328.296 3.069 20 30 EGEDRM C=CCC1(C(=O)NC[C@H](Cc2cccc(C)c2)C(=O)[O-])CCCC1 ZINC001588762959 984117911 /nfs/dbraw/zinc/11/79/11/984117911.db2.gz ORHVNDWSOWSBKI-KRWDZBQOSA-N -1 0 329.440 3.491 20 30 EGEDRM C=CC[C@H](Sc1nnc(NCCc2ccccc2)s1)C(=O)[O-] ZINC001588763682 984120004 /nfs/dbraw/zinc/12/00/04/984120004.db2.gz WFBWCFXLSVVAQW-LBPRGKRZSA-N -1 0 335.454 3.314 20 30 EGEDRM C=CCC1(NC(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)CCCC1 ZINC001588767256 984129464 /nfs/dbraw/zinc/12/94/64/984129464.db2.gz QTWCBPZCGHGAPB-UHFFFAOYSA-N -1 0 331.412 3.386 20 30 EGEDRM C=CC[C@H]1CCN(C(=O)Nc2cccc(CSCC(=O)[O-])c2)C1 ZINC001588772200 984141204 /nfs/dbraw/zinc/14/12/04/984141204.db2.gz AETXIVXLAUGHIF-ZDUSSCGKSA-N -1 0 334.441 3.434 20 30 EGEDRM C=CC[C@@H]1N(C(=O)NCc2cc(C(=O)[O-])c(C)n2C)CCCC1(C)C ZINC001588773607 984148415 /nfs/dbraw/zinc/14/84/15/984148415.db2.gz BEUIULBBQZDWPN-INIZCTEOSA-N -1 0 347.459 3.308 20 30 EGEDRM C=CCC[C@H]1CCCN1S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC001588781784 984167801 /nfs/dbraw/zinc/16/78/01/984167801.db2.gz HEQWGVDFEISDGG-HNNXBMFYSA-N -1 0 337.441 3.121 20 30 EGEDRM C=CCCC1(CNS(=O)(=O)c2cc(C(=O)[O-])cs2)CCCC1 ZINC001588781895 984169133 /nfs/dbraw/zinc/16/91/33/984169133.db2.gz KSZADROJTCBHSC-UHFFFAOYSA-N -1 0 343.470 3.251 20 30 EGEDRM C=CCCC1(CNC(=O)N[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)CCCC1 ZINC001588782435 984172226 /nfs/dbraw/zinc/17/22/26/984172226.db2.gz UXMKUTFTHWKCRV-QXSJWSMHSA-N -1 0 334.460 3.312 20 30 EGEDRM C=CCCC[C@H](C)NS(=O)(=O)c1cccc(Cl)c1C(=O)[O-] ZINC001588786275 984183842 /nfs/dbraw/zinc/18/38/42/984183842.db2.gz OUNREVGHCLTEKS-JTQLQIEISA-N -1 0 331.821 3.061 20 30 EGEDRM C=CCCC[C@@H](NC(=O)COc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC001588788731 984192356 /nfs/dbraw/zinc/19/23/56/984192356.db2.gz LKYRJUBXYFXCHL-GFCCVEGCSA-N -1 0 346.210 3.298 20 30 EGEDRM C=CCCC[C@H](NC(=O)Cc1c[nH]c2cc(Cl)ccc12)C(=O)[O-] ZINC001588789079 984196178 /nfs/dbraw/zinc/19/61/78/984196178.db2.gz XLUNHEMFUDPZQC-AWEZNQCLSA-N -1 0 334.803 3.290 20 30 EGEDRM C=CCCC[C@H](NC(=O)C1(c2cccc(OC)c2)CCCC1)C(=O)[O-] ZINC001588789474 984198274 /nfs/dbraw/zinc/19/82/74/984198274.db2.gz CBEVDBLWHJKLRM-KRWDZBQOSA-N -1 0 345.439 3.433 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1ccc(Oc2ccccc2)nc1)C(=O)[O-] ZINC001588793424 984218793 /nfs/dbraw/zinc/21/87/93/984218793.db2.gz QMBLVLLWXQGJNX-INIZCTEOSA-N -1 0 340.379 3.413 20 30 EGEDRM C=CCCCCCCNS(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1 ZINC001588799958 984242795 /nfs/dbraw/zinc/24/27/95/984242795.db2.gz SDKJZBKOTYLULP-UHFFFAOYSA-N -1 0 335.809 3.046 20 30 EGEDRM C=CCOc1cccc(NC(=O)N[C@@H](CC(=O)[O-])C2CCCC2)c1 ZINC001588872695 984441516 /nfs/dbraw/zinc/44/15/16/984441516.db2.gz CGYRUSFEGFYJEP-INIZCTEOSA-N -1 0 332.400 3.406 20 30 EGEDRM C=CCOc1ccc(CC(=O)Nc2ccc(OC)cc2C(=O)[O-])cc1 ZINC001588873539 984444136 /nfs/dbraw/zinc/44/41/36/984444136.db2.gz CHKGNYTZHPXOAI-UHFFFAOYSA-N -1 0 341.363 3.139 20 30 EGEDRM C=CCOc1ccc(C(=O)Oc2cc(C(=O)[O-])ccc2C)cc1OC ZINC001588874903 984449390 /nfs/dbraw/zinc/44/93/90/984449390.db2.gz KACVYEDGNWXFKA-UHFFFAOYSA-N -1 0 342.347 3.486 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@@H]1CCC(F)(F)C1 ZINC001588881595 984460651 /nfs/dbraw/zinc/46/06/51/984460651.db2.gz BRHZVXYPXSTXAF-LLVKDONJSA-N -1 0 340.322 3.463 20 30 EGEDRM C=CCn1c(-c2cc(C)cs2)nnc1N1CCC[C@](C)(C(=O)[O-])C1 ZINC001588886124 984470399 /nfs/dbraw/zinc/47/03/99/984470399.db2.gz AHUUOMGDUYSOFG-KRWDZBQOSA-N -1 0 346.456 3.192 20 30 EGEDRM C=CCn1c(C)cc(C(=O)COC(=O)c2cscc2C(=O)[O-])c1C ZINC001588896120 984499067 /nfs/dbraw/zinc/49/90/67/984499067.db2.gz GJGJYEVBMLVDSB-UHFFFAOYSA-N -1 0 347.392 3.090 20 30 EGEDRM C=CCn1c([C@H](C)C(C)C)nnc1N1CCC(CCC(=O)[O-])CC1 ZINC001588896850 984505157 /nfs/dbraw/zinc/50/51/57/984505157.db2.gz UWMWZZAMWPGVEW-CQSZACIVSA-N -1 0 334.464 3.305 20 30 EGEDRM C=CCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001588897288 984509192 /nfs/dbraw/zinc/50/91/92/984509192.db2.gz JGPGMVJAZNQVJQ-AWEZNQCLSA-N -1 0 334.464 3.134 20 30 EGEDRM C=CCn1cnnc1S[C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001588908937 984540453 /nfs/dbraw/zinc/54/04/53/984540453.db2.gz ATNOIKWIYAUMAI-NSHDSACASA-N -1 0 343.330 3.401 20 30 EGEDRM C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](CC(=O)[O-])c1ccc2ccccc2c1 ZINC001588916340 984559940 /nfs/dbraw/zinc/55/99/40/984559940.db2.gz GWZIBVKTYDJCLT-SQNIBIBYSA-N -1 0 339.391 3.063 20 30 EGEDRM CCOC(=O)c1ccc(C#N)c(S[C@H](C(=O)[O-])c2ccsc2)n1 ZINC001596713182 984932193 /nfs/dbraw/zinc/93/21/93/984932193.db2.gz FGQZFUMTQRDKJW-LBPRGKRZSA-N -1 0 348.405 3.109 20 30 EGEDRM CC(=NNc1ccc(CC(=O)[O-])cc1)c1ccc2c(c1)CCC(=O)N2 ZINC001589016537 984995422 /nfs/dbraw/zinc/99/54/22/984995422.db2.gz XHNSYWHJEQTOLT-UHFFFAOYSA-N -1 0 337.379 3.035 20 30 EGEDRM CC(=NOCc1occc1C(=O)[O-])c1ccc(NC(=O)C2CC2)cc1 ZINC001589021204 985011281 /nfs/dbraw/zinc/01/12/81/985011281.db2.gz NFQXMCCGDKWNCK-UHFFFAOYSA-N -1 0 342.351 3.267 20 30 EGEDRM C[C@H](C#N)CN(Cc1coc(-c2ccc(C(=O)[O-])cc2)n1)C1CC1 ZINC001589330754 986178535 /nfs/dbraw/zinc/17/85/35/986178535.db2.gz PIQXWYCQJDLZJF-GFCCVEGCSA-N -1 0 325.368 3.164 20 30 EGEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001589331621 986188908 /nfs/dbraw/zinc/18/89/08/986188908.db2.gz JZNHZFOFXWKNAM-JTQLQIEISA-N -1 0 329.381 3.217 20 30 EGEDRM CCOc1c(OC)cc(/C=C/C(=O)c2cc(C(=O)[O-])co2)cc1OC ZINC001596991582 986270463 /nfs/dbraw/zinc/27/04/63/986270463.db2.gz OEYYEIBKDRFHHB-AATRIKPKSA-N -1 0 346.335 3.290 20 30 EGEDRM CCOc1cc(C#N)cc(Cl)c1OC(=O)c1ccc(C(=O)[O-])o1 ZINC001596993811 986289420 /nfs/dbraw/zinc/28/94/20/986289420.db2.gz ZXUBSYPMXPPCJP-UHFFFAOYSA-N -1 0 335.699 3.121 20 30 EGEDRM CCC(C#N)(CC)C(=O)Oc1cc(Br)cc(C(=O)[O-])c1 ZINC001594722783 987216631 /nfs/dbraw/zinc/21/66/31/987216631.db2.gz UYRQNFJHEFAPJB-UHFFFAOYSA-N -1 0 340.173 3.383 20 30 EGEDRM CCc1ccc(C#CC(=O)NC2(CCC(=O)[O-])CCCCC2)cc1 ZINC001597495088 988041475 /nfs/dbraw/zinc/04/14/75/988041475.db2.gz QWQYUUQROONFSH-UHFFFAOYSA-N -1 0 327.424 3.284 20 30 EGEDRM CSc1c(F)cccc1C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001599806391 988262507 /nfs/dbraw/zinc/26/25/07/988262507.db2.gz UDSORCCEQWUTOM-AWEZNQCLSA-N -1 0 345.351 3.402 20 30 EGEDRM CC(C)(C)c1ccc(C#N)c(OCc2cccc(C(=O)[O-])c2C#N)n1 ZINC001590472521 990045744 /nfs/dbraw/zinc/04/57/44/990045744.db2.gz RQYRFSNLRYGSGK-UHFFFAOYSA-N -1 0 335.363 3.400 20 30 EGEDRM CC(C)(C)c1ccc(NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)cc1 ZINC001590492994 990093925 /nfs/dbraw/zinc/09/39/25/990093925.db2.gz HKSMQUKZHZQUKK-UHFFFAOYSA-N -1 0 329.400 3.206 20 30 EGEDRM CC(C)(C)c1csc(NC(=O)c2cc(C(=O)[O-])ccn2)c1C#N ZINC001590536810 990149369 /nfs/dbraw/zinc/14/93/69/990149369.db2.gz HUCUPBSJYJJGBH-UHFFFAOYSA-N -1 0 329.381 3.263 20 30 EGEDRM CN(C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1)[C@@H]1CCC[C@@H]1C#N ZINC001598056617 990317479 /nfs/dbraw/zinc/31/74/79/990317479.db2.gz QTICOBMIPUGHOC-PRHODGIISA-N -1 0 339.754 3.333 20 30 EGEDRM CC(C)[C@H]1C[C@@H](CC(=O)OCc2cccc(C(=O)[O-])c2C#N)CCO1 ZINC001591072557 991535441 /nfs/dbraw/zinc/53/54/41/991535441.db2.gz NOFZBFJJWWMOSW-SUMWQHHRSA-N -1 0 345.395 3.141 20 30 EGEDRM CN(CCOCc1ccc(C#N)cc1)Cc1cc(C(=O)[O-])ccc1F ZINC001598497978 992389567 /nfs/dbraw/zinc/38/95/67/992389567.db2.gz MOLDUYXRQKNTDG-UHFFFAOYSA-N -1 0 342.370 3.044 20 30 EGEDRM COc1ccc(NN=Cc2cc(C)c(C(=O)[O-])[nH]2)c(C(F)(F)F)c1 ZINC001599597313 993764936 /nfs/dbraw/zinc/76/49/36/993764936.db2.gz QIZIBBRZRPDQJY-UHFFFAOYSA-N -1 0 341.289 3.495 20 30 EGEDRM C[C@@H](NC(=S)NN=C1CCC[C@@H](CCCC(=O)[O-])C1)C1CC1 ZINC001593190634 994124297 /nfs/dbraw/zinc/12/42/97/994124297.db2.gz TWCYIDSTSUNDGK-NEPJUHHUSA-N -1 0 325.478 3.050 20 30 EGEDRM C[C@@H](Sc1ccccc1C(=O)OCc1cccc(C#N)c1)C(=O)[O-] ZINC001593673657 996086798 /nfs/dbraw/zinc/08/67/98/996086798.db2.gz OEPFCDLRWALNEH-GFCCVEGCSA-N -1 0 341.388 3.480 20 30 EGEDRM C[C@@H](c1cccc(C#N)c1)N(C)C(=O)CCc1ccccc1C(=O)[O-] ZINC001593698390 996164080 /nfs/dbraw/zinc/16/40/80/996164080.db2.gz IROLAHBTLOUAQA-AWEZNQCLSA-N -1 0 336.391 3.409 20 30 EGEDRM COc1cc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)ccc1Cl ZINC001599386417 996953650 /nfs/dbraw/zinc/95/36/50/996953650.db2.gz SKEGPMLIIIHYIN-HNNXBMFYSA-N -1 0 345.738 3.203 20 30 EGEDRM COc1cc(C#N)ccc1C(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC001599349363 998066118 /nfs/dbraw/zinc/06/61/18/998066118.db2.gz QFSSSXJYDMOLFR-UHFFFAOYSA-N -1 0 330.727 3.171 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC001599374653 998468952 /nfs/dbraw/zinc/46/89/52/998468952.db2.gz WMYRYZGCIXHBRJ-LSDHHAIUSA-N -1 0 336.347 3.007 20 30 EGEDRM CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000074483597 283292783 /nfs/dbraw/zinc/29/27/83/283292783.db2.gz PGHAIDGRWWDRPI-UHFFFAOYSA-N -1 0 339.351 3.224 20 30 EGEDRM CCOc1ccc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)cc1OCC ZINC000193613494 240233956 /nfs/dbraw/zinc/23/39/56/240233956.db2.gz DVXGLISAMSLEHM-FMIVXFBMSA-N -1 0 339.395 3.308 20 30 EGEDRM CC(C)(CC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)C(=O)[O-] ZINC000356966676 241845536 /nfs/dbraw/zinc/84/55/36/241845536.db2.gz SBMSXWBYBSUINV-UHFFFAOYSA-N -1 0 339.351 3.185 20 30 EGEDRM C=C(C)C[C@@H](C)C(=O)N[C@@H](C(=O)[O-])c1ccc(OC)c(Cl)c1 ZINC000263209527 245362270 /nfs/dbraw/zinc/36/22/70/245362270.db2.gz ZMKLPEOCOVNDMK-QMTHXVAHSA-N -1 0 325.792 3.193 20 30 EGEDRM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1noc2ccccc21 ZINC000351397958 144263263 /nfs/dbraw/zinc/26/32/63/144263263.db2.gz OALPARZDJAFCSL-UHFFFAOYSA-N -1 0 333.756 3.154 20 30 EGEDRM CC(C)c1scnc1[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000341217168 155211531 /nfs/dbraw/zinc/21/15/31/155211531.db2.gz RTURIJGDWFSSTN-UHFFFAOYSA-N -1 0 343.380 3.217 20 30 EGEDRM Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)cc1F ZINC000121614963 152363452 /nfs/dbraw/zinc/36/34/52/152363452.db2.gz HYRFOCLFMSRORE-UHFFFAOYSA-N -1 0 326.299 3.085 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)c2cc(F)ccc2Cl)cc1F ZINC000307960567 154136281 /nfs/dbraw/zinc/13/62/81/154136281.db2.gz KONLPSLLIRRRBJ-UHFFFAOYSA-N -1 0 328.727 3.291 20 30 EGEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cc(F)cc(Cl)c1O ZINC000317280597 154158304 /nfs/dbraw/zinc/15/83/04/154158304.db2.gz DDJZVILXOIEPDX-UHFFFAOYSA-N -1 0 340.763 3.166 20 30 EGEDRM N#Cc1cccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2O)c1 ZINC000352631854 156390685 /nfs/dbraw/zinc/39/06/85/156390685.db2.gz ZCMCVEQYCQHMGN-UHFFFAOYSA-N -1 0 343.191 3.371 20 30 EGEDRM N#Cc1nc(NC(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)[n-]c1C#N ZINC000108890070 162086653 /nfs/dbraw/zinc/08/66/53/162086653.db2.gz NHCFSDUVPARVGS-GJZGRUSLSA-N -1 0 327.347 3.048 20 30 EGEDRM Cc1noc(-c2ccccc2)c1[N-]S(=O)(=O)c1ccccc1C#N ZINC000126495382 162306070 /nfs/dbraw/zinc/30/60/70/162306070.db2.gz CPRSICCHJKIJMN-UHFFFAOYSA-N -1 0 339.376 3.323 20 30 EGEDRM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc(F)cc1C#N ZINC000183397813 162826787 /nfs/dbraw/zinc/82/67/87/162826787.db2.gz ASWQVFLLZVMHMB-UHFFFAOYSA-N -1 0 349.343 3.023 20 30 EGEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccnn1[C@H](C)CC(C)C ZINC000355316805 166162032 /nfs/dbraw/zinc/16/20/32/166162032.db2.gz ZEPWMMGWIVSMLZ-CQSZACIVSA-N -1 0 346.456 3.471 20 30 EGEDRM C[C@H](Cc1ccc(Cl)cc1)C(=O)N=c1[nH][n-]c(C2CC2)c1C#N ZINC000359718887 167212966 /nfs/dbraw/zinc/21/29/66/167212966.db2.gz ROBVSFDNLCQFBE-SNVBAGLBSA-N -1 0 328.803 3.051 20 30 EGEDRM Cc1nc(CC(C)C)c([N-]S(=O)(=O)c2ccc(C#N)cc2)s1 ZINC000122469939 222095022 /nfs/dbraw/zinc/09/50/22/222095022.db2.gz BWRQXVKVCPZDAT-UHFFFAOYSA-N -1 0 335.454 3.323 20 30 EGEDRM N#Cc1cccc(OC2CCN(C(=O)c3ccc(F)cc3[O-])CC2)c1 ZINC000123697318 222319329 /nfs/dbraw/zinc/31/93/29/222319329.db2.gz WYJIHWVMFWYZMN-UHFFFAOYSA-N -1 0 340.354 3.087 20 30 EGEDRM Cc1ccc(CS(=O)(=O)[N-]c2cc(N(C)C)ccc2C#N)c(F)c1 ZINC000446750022 269918035 /nfs/dbraw/zinc/91/80/35/269918035.db2.gz DVEKKWUUYGKUTI-UHFFFAOYSA-N -1 0 347.415 3.014 20 30 EGEDRM CCc1noc(=NCc2cccc(OCc3ccccc3C#N)c2)[n-]1 ZINC000431032049 270050040 /nfs/dbraw/zinc/05/00/40/270050040.db2.gz HIHCKMQPTRDGHD-UHFFFAOYSA-N -1 0 334.379 3.117 20 30 EGEDRM N#Cc1cccc(CSc2nc(=O)cc([O-])n2C2CCCC2)c1F ZINC000436197194 270051576 /nfs/dbraw/zinc/05/15/76/270051576.db2.gz JSRVVRMOQMGZKI-UHFFFAOYSA-N -1 0 345.399 3.367 20 30 EGEDRM CCOc1cc2c(cc1NC(=O)c1ccc(C#N)c([O-])c1)O[C@H](C)C2 ZINC000188237927 266310049 /nfs/dbraw/zinc/31/00/49/266310049.db2.gz WYUSHBVNWLJXTK-LLVKDONJSA-N -1 0 338.363 3.238 20 30 EGEDRM CCCN(Cc1ccc(C#N)cc1)C(=O)NCCCCCC(=O)[O-] ZINC000414632146 267014753 /nfs/dbraw/zinc/01/47/53/267014753.db2.gz XOHSJQWBHUQKMB-UHFFFAOYSA-N -1 0 331.416 3.125 20 30 EGEDRM CCCN1CCN(C(=O)c2ccc(C#N)c([O-])c2)c2cc(F)ccc21 ZINC000519651807 267019553 /nfs/dbraw/zinc/01/95/53/267019553.db2.gz QFCYMWKMZKGRSO-UHFFFAOYSA-N -1 0 339.370 3.280 20 30 EGEDRM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1cc(Cl)ccc1C#N ZINC000421231994 267525549 /nfs/dbraw/zinc/52/55/49/267525549.db2.gz JWZVDWFLNTWVEA-ZDUSSCGKSA-N -1 0 330.837 3.014 20 30 EGEDRM C[C@H](C(=O)N=c1nc(Cc2ccccc2)[n-]s1)c1cccc(C#N)c1 ZINC000462050942 267805430 /nfs/dbraw/zinc/80/54/30/267805430.db2.gz SLZYFPOEKXMNCP-ZDUSSCGKSA-N -1 0 348.431 3.165 20 30 EGEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cc(C2CCCCC2)[nH]n1 ZINC000531883320 268030468 /nfs/dbraw/zinc/03/04/68/268030468.db2.gz GCALRWMOSWGZAQ-UHFFFAOYSA-N -1 0 344.440 3.438 20 30 EGEDRM N#Cc1ccc(N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cc1Cl ZINC000290629525 268113996 /nfs/dbraw/zinc/11/39/96/268113996.db2.gz HARJBMZIKVBQFN-SNVBAGLBSA-N -1 0 345.752 3.107 20 30 EGEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1O ZINC000174731431 268286550 /nfs/dbraw/zinc/28/65/50/268286550.db2.gz VZCPDADAMPDFDJ-UHFFFAOYSA-N -1 0 342.298 3.083 20 30 EGEDRM CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000158060512 307854434 /nfs/dbraw/zinc/85/44/34/307854434.db2.gz NRUYTKXSAKISSZ-UHFFFAOYSA-N -1 0 338.335 3.036 20 30 EGEDRM Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccnc(Cl)c2)cc1Cl ZINC000095467927 454218650 /nfs/dbraw/zinc/21/86/50/454218650.db2.gz ASIXTCKYJSPGHJ-UHFFFAOYSA-N -1 0 345.207 3.390 20 30 EGEDRM Cc1nc(C2CCCCC2)sc1C(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC000537173009 314165703 /nfs/dbraw/zinc/16/57/03/314165703.db2.gz TZPSDAIMQILYNA-UHFFFAOYSA-N -1 0 340.412 3.218 20 30 EGEDRM Cc1ccc(-c2[n-][nH]c(=NC(=O)c3ccc(Cl)c(C#N)c3)c2C)o1 ZINC000544675635 314710665 /nfs/dbraw/zinc/71/06/65/314710665.db2.gz PSLTYDPPFNMXPT-UHFFFAOYSA-N -1 0 340.770 3.486 20 30 EGEDRM CC(=O)N(c1ccc(NC(=O)c2ccc(C#N)c([O-])c2)cc1)[C@@H]1C[C@@H]1C ZINC000561648836 315774501 /nfs/dbraw/zinc/77/45/01/315774501.db2.gz LSFAKLHZSCOQQR-KPZWWZAWSA-N -1 0 349.390 3.277 20 30 EGEDRM Cc1sc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)nc1C(C)C ZINC000567487450 316625953 /nfs/dbraw/zinc/62/59/53/316625953.db2.gz PAAWCUJOLMWNON-UHFFFAOYSA-N -1 0 339.417 3.387 20 30 EGEDRM C=CCC[C@H](NC(=O)[C@@H](CC)Oc1ccccc1Cl)C(=O)[O-] ZINC000262858812 456062625 /nfs/dbraw/zinc/06/26/25/456062625.db2.gz INKVEXUPXWDKII-QWHCGFSZSA-N -1 0 325.792 3.033 20 30 EGEDRM N#Cc1cnc2c(F)cc(F)cc2c1N1CCC[C@H](CC(=O)[O-])C1 ZINC000576449341 324616604 /nfs/dbraw/zinc/61/66/04/324616604.db2.gz XDRFGAIBWFLHTH-SNVBAGLBSA-N -1 0 331.322 3.076 20 30 EGEDRM C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000237811716 455221361 /nfs/dbraw/zinc/22/13/61/455221361.db2.gz YKDPWRPEMHDGGZ-UHFFFAOYSA-N -1 0 331.393 3.075 20 30 EGEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1ccc2oc(C3CC3)nc2c1 ZINC000032097284 453864939 /nfs/dbraw/zinc/86/49/39/453864939.db2.gz SPSJWPOPBBSSJR-UHFFFAOYSA-N -1 0 339.376 3.378 20 30 EGEDRM Cc1nn2c(nc(C)cc2C)c1C([O-])=C(C#N)c1nc2ccccc2[nH]1 ZINC000075830957 453929041 /nfs/dbraw/zinc/92/90/41/453929041.db2.gz ZZFMJTZZKIUSPT-ZDUSSCGKSA-N -1 0 344.378 3.021 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)Cc2ccc(F)c(F)c2)c(C)c1 ZINC000084142042 453972706 /nfs/dbraw/zinc/97/27/06/453972706.db2.gz AWDABUYENRNDMI-UHFFFAOYSA-N -1 0 339.363 3.470 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)C=Cc2cccc(F)c2)cc1 ZINC000042304327 454004899 /nfs/dbraw/zinc/00/48/99/454004899.db2.gz FXVKFZJCVRJCGD-RMKNXTFCSA-N -1 0 330.340 3.056 20 30 EGEDRM Cc1cc(-n2cncn2)ccc1C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000076843271 454042852 /nfs/dbraw/zinc/04/28/52/454042852.db2.gz JWGDNESDKLKPSH-OAHLLOKOSA-N -1 0 343.346 3.207 20 30 EGEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(CC)cc1 ZINC000057125680 454104024 /nfs/dbraw/zinc/10/40/24/454104024.db2.gz JWHDZFOJGQUHCV-UHFFFAOYSA-N -1 0 330.409 3.320 20 30 EGEDRM C=CCOc1cccc([N-]S(=O)(=O)c2c(F)cc(F)cc2F)c1 ZINC000057124125 454104308 /nfs/dbraw/zinc/10/43/08/454104308.db2.gz LJMQRKUQIVUEQR-UHFFFAOYSA-N -1 0 343.326 3.470 20 30 EGEDRM C=CCS(=O)(=O)[N-]C(=O)C=Cc1ccc2ccc(Cl)cc2n1 ZINC000089287090 454133933 /nfs/dbraw/zinc/13/39/33/454133933.db2.gz WKLCRHIBFGOPQV-BQYQJAHWSA-N -1 0 336.800 3.374 20 30 EGEDRM Cc1cc(S(=O)(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)c(F)cc1F ZINC000182012841 455416418 /nfs/dbraw/zinc/41/64/18/455416418.db2.gz TYYIBBSBPPTCFY-BMIGLBTASA-N -1 0 328.384 3.024 20 30 EGEDRM C[C@H](CC(=O)Nc1nc(C#N)c(C#N)[n-]1)Cc1ccc(Cl)cc1 ZINC000089435910 454149101 /nfs/dbraw/zinc/14/91/01/454149101.db2.gz YLWIGEIWXHRRON-JTQLQIEISA-N -1 0 327.775 3.014 20 30 EGEDRM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(C#N)cc1[N+](=O)[O-] ZINC000130295593 454187939 /nfs/dbraw/zinc/18/79/39/454187939.db2.gz HRWGUPXICVVSNN-UHFFFAOYSA-N -1 0 345.380 3.138 20 30 EGEDRM C[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000071883908 454241594 /nfs/dbraw/zinc/24/15/94/454241594.db2.gz XOGDRPKBPMDNCO-SVRRBLITSA-N -1 0 325.283 3.146 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)Nc2ccc(F)c(Cl)c2)cc1C#N ZINC000078899152 454334808 /nfs/dbraw/zinc/33/48/08/454334808.db2.gz PRZAHQCMPISSMW-UHFFFAOYSA-N -1 0 337.763 3.426 20 30 EGEDRM CSc1ccc(S(=O)(=O)[N-]c2ncccc2C#N)cc1Cl ZINC000191101688 455442357 /nfs/dbraw/zinc/44/23/57/455442357.db2.gz IUROTILXSUWRFI-UHFFFAOYSA-N -1 0 339.829 3.129 20 30 EGEDRM N#Cc1cccc(S(=O)(=O)[N-]c2scnc2-c2ccccc2)c1 ZINC000091055051 454373328 /nfs/dbraw/zinc/37/33/28/454373328.db2.gz YJAVNHRJNNMKBA-UHFFFAOYSA-N -1 0 341.417 3.483 20 30 EGEDRM CC(C)(C)c1ncc(C([O-])=C(C#N)c2nnc3n2CCCCC3)s1 ZINC000064102232 454467194 /nfs/dbraw/zinc/46/71/94/454467194.db2.gz YYPOGAXAKDEOLS-LLVKDONJSA-N -1 0 343.456 3.249 20 30 EGEDRM N#Cc1cccc(S(=O)(=O)[N-]c2ncc(-c3ccccc3)s2)c1 ZINC000073803369 454485556 /nfs/dbraw/zinc/48/55/56/454485556.db2.gz CHKNKHTVZOOLFE-UHFFFAOYSA-N -1 0 341.417 3.483 20 30 EGEDRM COc1cccc(C(=O)[N-]S(=O)(=O)C=Cc2ccccc2)c1OC ZINC000048529423 454496289 /nfs/dbraw/zinc/49/62/89/454496289.db2.gz MFNORHWRLXDVMY-VAWYXSNFSA-N -1 0 347.392 3.009 20 30 EGEDRM CCCCS(=O)(=O)/N=C([O-])/C=C/c1c(Cl)nc2sccn12 ZINC000048552164 454497668 /nfs/dbraw/zinc/49/76/68/454497668.db2.gz SJTCOGZYFBNEGB-SNAWJCMRSA-N -1 0 347.849 3.149 20 30 EGEDRM O=C(CC1CCCCC1)[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000048637739 454504377 /nfs/dbraw/zinc/50/43/77/454504377.db2.gz ZUHSWNPBTGWJJJ-UHFFFAOYSA-N -1 0 339.442 3.307 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2ccccc2OC[C@@H]2CCCO2)n1 ZINC000073974569 454510283 /nfs/dbraw/zinc/51/02/83/454510283.db2.gz RMMKTMIDLLBPIC-ZFWWWQNUSA-N -1 0 342.420 3.499 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2ccccc2OC[C@H]2CCCO2)n1 ZINC000073974582 454510554 /nfs/dbraw/zinc/51/05/54/454510554.db2.gz RMMKTMIDLLBPIC-UKRRQHHQSA-N -1 0 342.420 3.499 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)N2CCC[C@H]2c2ccccc2)cc1C#N ZINC000074070804 454528736 /nfs/dbraw/zinc/52/87/36/454528736.db2.gz DBHNPTSSMPCDFL-HNNXBMFYSA-N -1 0 339.420 3.358 20 30 EGEDRM CC(=O)Nc1nc(C([O-])=C(C#N)c2nc(C(C)C)cs2)cs1 ZINC000080449526 454583786 /nfs/dbraw/zinc/58/37/86/454583786.db2.gz HKNOOKGMSSYTKC-SECBINFHSA-N -1 0 334.426 3.171 20 30 EGEDRM CCOc1ncccc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000093243588 454695541 /nfs/dbraw/zinc/69/55/41/454695541.db2.gz MNVQBIOPJCOZBF-GFCCVEGCSA-N -1 0 335.285 3.384 20 30 EGEDRM CC(C)(C)c1noc(Cn2[n-]c(C(C)(C)C)c(CCC#N)c2=O)n1 ZINC000153454476 454795479 /nfs/dbraw/zinc/79/54/79/454795479.db2.gz CFFOZTQKPZWAHQ-UHFFFAOYSA-N -1 0 331.420 3.071 20 30 EGEDRM Cc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1ccc(C#N)cn1 ZINC000178183704 454941731 /nfs/dbraw/zinc/94/17/31/454941731.db2.gz ITMKXZBOZWGRBY-UHFFFAOYSA-N -1 0 341.314 3.081 20 30 EGEDRM Cc1cc(C)c(S(=O)(=O)[N-]c2nn(C(C)(C)C)cc2C#N)c(C)c1 ZINC000178732904 454971001 /nfs/dbraw/zinc/97/10/01/454971001.db2.gz DPSOXYWDRXLFKP-UHFFFAOYSA-N -1 0 346.456 3.236 20 30 EGEDRM CC(C)c1[n-]n(-c2ccccc2)c(=O)c1C(=O)Nc1ccc(C#N)cc1 ZINC000155598919 455021285 /nfs/dbraw/zinc/02/12/85/455021285.db2.gz CAZHNPNWNOYFEW-QGZVFWFLSA-N -1 0 346.390 3.172 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)NCc2cc3ccccc3o2)c(Cl)c1 ZINC000183503816 455300874 /nfs/dbraw/zinc/30/08/74/455300874.db2.gz ZGHIOAZTJIAWBX-UHFFFAOYSA-N -1 0 346.795 3.436 20 30 EGEDRM C=CCOc1cccc([N-]S(=O)(=O)c2cccc(F)c2F)c1 ZINC000158676061 455321369 /nfs/dbraw/zinc/32/13/69/455321369.db2.gz SORNIYDXGXENQK-UHFFFAOYSA-N -1 0 325.336 3.330 20 30 EGEDRM CN(CCCOc1cccc(Cl)c1)C(=O)c1ccc(C#N)c(O)c1 ZINC000190833600 455389171 /nfs/dbraw/zinc/38/91/71/455389171.db2.gz CMGADZPCMYARMO-UHFFFAOYSA-N -1 0 344.798 3.458 20 30 EGEDRM CC(=O)Nc1cc(C([O-])=C(C#N)c2cnc3ccccc3n2)ccc1F ZINC000190996187 455421590 /nfs/dbraw/zinc/42/15/90/455421590.db2.gz ZAQCIDPJRWADFG-ZDUSSCGKSA-N -1 0 348.337 3.217 20 30 EGEDRM N#Cc1ccc(NC(=O)NO[C@H]2CCCCO2)cc1C(F)(F)F ZINC000161233140 455550298 /nfs/dbraw/zinc/55/02/98/455550298.db2.gz ZWBTXEVQRVQMQT-LBPRGKRZSA-N -1 0 329.278 3.157 20 30 EGEDRM N#Cc1ccccc1CSc1nc(=O)cc([O-])n1C1CCCC1 ZINC000193038123 455736588 /nfs/dbraw/zinc/73/65/88/455736588.db2.gz PESPQGJPFMGIID-UHFFFAOYSA-N -1 0 327.409 3.228 20 30 EGEDRM N#CC(=C([O-])c1cc(F)cc2nccnc21)c1nc2ccccc2o1 ZINC000193620167 455767207 /nfs/dbraw/zinc/76/72/07/455767207.db2.gz UEWJGDSCNIJMDT-LBPRGKRZSA-N -1 0 332.294 3.400 20 30 EGEDRM O=C(c1c([O-])cccc1F)N(CCC(F)(F)F)CC(F)(F)F ZINC000279934526 455877890 /nfs/dbraw/zinc/87/78/90/455877890.db2.gz WVVKCYSSPZMCAV-UHFFFAOYSA-N -1 0 333.203 3.488 20 30 EGEDRM C#CC[C@H](NC(=O)CC1(C(=O)[O-])Cc2ccccc2C1)c1ccccc1 ZINC000270109209 455879995 /nfs/dbraw/zinc/87/99/95/455879995.db2.gz FYCMJOHNGJQHEC-IBGZPJMESA-N -1 0 347.414 3.127 20 30 EGEDRM CSc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C#N)nc1 ZINC000195446243 455962484 /nfs/dbraw/zinc/96/24/84/455962484.db2.gz IURZPZVQUHPHIP-UHFFFAOYSA-N -1 0 339.829 3.129 20 30 EGEDRM C=CCC[C@H](NC(=O)[C@H](C)CSc1ccc(F)cc1)C(=O)[O-] ZINC000262844018 456062364 /nfs/dbraw/zinc/06/23/64/456062364.db2.gz HEQUETGRICKPST-RISCZKNCSA-N -1 0 325.405 3.090 20 30 EGEDRM C=CCC[C@@H](NC(=O)[C@@H](C)Sc1ccc(Cl)cc1)C(=O)[O-] ZINC000262893099 456066776 /nfs/dbraw/zinc/06/67/76/456066776.db2.gz LQAWBCAJFLTVIQ-ZWNOBZJWSA-N -1 0 327.833 3.356 20 30 EGEDRM C=CCC[C@@H](NC(=O)[C@H](C)Oc1ccccc1C(F)(F)F)C(=O)[O-] ZINC000263033606 456080754 /nfs/dbraw/zinc/08/07/54/456080754.db2.gz ZCGBREGKVGHSPJ-CMPLNLGQSA-N -1 0 345.317 3.008 20 30 EGEDRM C=CCn1c(C)cc(C(=O)CN2CCC[C@H](CCC(=O)[O-])C2)c1C ZINC000263174203 456105753 /nfs/dbraw/zinc/10/57/53/456105753.db2.gz SLMLYRNUQWASGM-MRXNPFEDSA-N -1 0 332.444 3.050 20 30 EGEDRM Cc1ccc2ncc(C#N)c(N3C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C3)c2c1 ZINC000263547200 456164622 /nfs/dbraw/zinc/16/46/22/456164622.db2.gz HXTCDQRCLBFHHS-CHWSQXEVSA-N -1 0 349.312 3.114 20 30 EGEDRM COCCCC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000237173246 456242131 /nfs/dbraw/zinc/24/21/31/456242131.db2.gz BBFASZDQKMYPJG-UHFFFAOYSA-N -1 0 337.375 3.150 20 30 EGEDRM Cc1c([N-]S(=O)(=O)c2cccc(C#N)c2)[nH]nc1-c1ccccc1 ZINC000340515716 456504196 /nfs/dbraw/zinc/50/41/96/456504196.db2.gz MUSDLDMNSRHEIQ-UHFFFAOYSA-N -1 0 338.392 3.058 20 30 EGEDRM Cc1cc(Cl)cc([N-]S(=O)(=O)c2cc(C#N)ccc2C)c1O ZINC000317471390 456616405 /nfs/dbraw/zinc/61/64/05/456616405.db2.gz CEECRWJHWKNCBN-UHFFFAOYSA-N -1 0 336.800 3.335 20 30 EGEDRM C=CCCCS(=O)(=O)[N-]c1nnc([C@@H](CC)c2ccccc2)o1 ZINC000291813209 456766127 /nfs/dbraw/zinc/76/61/27/456766127.db2.gz CYTVMFMEFAIILZ-AWEZNQCLSA-N -1 0 335.429 3.319 20 30 EGEDRM CC[C@H](NC(=O)c1cccc([C@]2(C)NC(=O)NC2=O)c1)[C@@H]1CCCO1 ZINC000328884679 456784281 /nfs/dbraw/zinc/78/42/81/456784281.db2.gz YSHXBNOLDFBNHO-DEYYWGMASA-N -1 0 345.399 3.048 20 30 EGEDRM Cc1ccnc2[nH]c([C@H](C#N)C(=O)c3cncc4ccccc43)nc21 ZINC000341054957 456811245 /nfs/dbraw/zinc/81/12/45/456811245.db2.gz TVGFZALZGAADHP-CQSZACIVSA-N -1 0 327.347 3.305 20 30 EGEDRM Cc1cc([N-]S(=O)(=O)c2ccccc2C(C)C)nn1CCC#N ZINC000344453188 456830328 /nfs/dbraw/zinc/83/03/28/456830328.db2.gz JZTIYVPZHOSPRY-UHFFFAOYSA-N -1 0 332.429 3.029 20 30 EGEDRM N#CCc1cccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)c1 ZINC000345888139 457004497 /nfs/dbraw/zinc/00/44/97/457004497.db2.gz PJFCDCKUXJKQCR-INIZCTEOSA-N -1 0 342.782 3.352 20 30 EGEDRM C=CCC(CC=C)C(=O)N[C@H](C(=O)[O-])c1ccc(OC(F)F)cc1 ZINC000346000127 457011012 /nfs/dbraw/zinc/01/10/12/457011012.db2.gz PKVOBBXVRBZORA-AWEZNQCLSA-N -1 0 339.338 3.298 20 30 EGEDRM Cc1cc(C(C#N)=C([O-])c2cnc(Oc3ccccc3)cn2)nc(C)n1 ZINC000358868748 457014232 /nfs/dbraw/zinc/01/42/32/457014232.db2.gz CZRZJGVGKQJVPZ-OAHLLOKOSA-N -1 0 345.362 3.166 20 30 EGEDRM CC(C)n1cc(C#N)c(=NC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)[n-]1 ZINC000331071921 457127882 /nfs/dbraw/zinc/12/78/82/457127882.db2.gz UDGRUIDKWWHTHV-JQWIXIFHSA-N -1 0 328.338 3.065 20 30 EGEDRM CCc1ccccc1-n1cc([O-])c(C(=O)NCC(C)(C)CCC#N)n1 ZINC000360420790 457307502 /nfs/dbraw/zinc/30/75/02/457307502.db2.gz BMBVHQAEXMESEW-UHFFFAOYSA-N -1 0 340.427 3.200 20 30 EGEDRM Cc1nc(C)c(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)nc1C ZINC000342465930 457318507 /nfs/dbraw/zinc/31/85/07/457318507.db2.gz YKZMOMGQUXIMIY-LBPRGKRZSA-N -1 0 334.301 3.306 20 30 EGEDRM CSc1ccc(Cl)cc1[N-]S(=O)(=O)c1cncc(C#N)c1 ZINC000357106994 457326239 /nfs/dbraw/zinc/32/62/39/457326239.db2.gz RNNTVUFYMAKEQL-UHFFFAOYSA-N -1 0 339.829 3.129 20 30 EGEDRM CSc1ccc([N-]S(=O)(=O)c2cncc(C#N)c2)cc1Cl ZINC000357173562 457358626 /nfs/dbraw/zinc/35/86/26/457358626.db2.gz OUTSYJLXGCLDQJ-UHFFFAOYSA-N -1 0 339.829 3.129 20 30 EGEDRM Cn1nncc1C([O-])=C(C#N)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000342644280 457424339 /nfs/dbraw/zinc/42/43/39/457424339.db2.gz RPHLBEVFHBKDFW-NSHDSACASA-N -1 0 343.799 3.082 20 30 EGEDRM CN(Cc1nc(=O)c2sccc2[n-]1)c1c(F)cc(C#N)cc1F ZINC000357324915 457447699 /nfs/dbraw/zinc/44/76/99/457447699.db2.gz AQCLTPJDWSNYDD-UHFFFAOYSA-N -1 0 332.335 3.183 20 30 EGEDRM N#Cc1cc(C(F)(F)F)ccc1[N-]S(=O)(=O)c1ccsc1 ZINC000357377623 457482365 /nfs/dbraw/zinc/48/23/65/457482365.db2.gz YVXBSWCIVVWDIT-UHFFFAOYSA-N -1 0 332.328 3.439 20 30 EGEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(C)c1Cl ZINC000342787269 457528261 /nfs/dbraw/zinc/52/82/61/457528261.db2.gz WBBPQDFVJXLEJG-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM C[C@H](c1cccc(C#N)c1)N(C)C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000425645593 457621595 /nfs/dbraw/zinc/62/15/95/457621595.db2.gz CTDHTDFMNPNBOO-LLVKDONJSA-N -1 0 343.456 3.354 20 30 EGEDRM Cc1cc(C(F)(F)F)ccc1C(=O)N=c1[n-]n(C(C)C)cc1C#N ZINC000410543783 457647345 /nfs/dbraw/zinc/64/73/45/457647345.db2.gz UPPDOAXMMYCTNK-UHFFFAOYSA-N -1 0 336.317 3.337 20 30 EGEDRM CC(=O)N1Cc2ccccc2C(=O)/C(=C\c2ccc(C(=O)[O-])cc2)C1 ZINC000364871225 457709513 /nfs/dbraw/zinc/70/95/13/457709513.db2.gz KAKXYRXFGRUKNC-YVLHZVERSA-N -1 0 335.359 3.013 20 30 EGEDRM Cc1cn2ccnc(C([O-])=C(C#N)c3nc(C(C)C)cs3)c2n1 ZINC000433189974 457772653 /nfs/dbraw/zinc/77/26/53/457772653.db2.gz OJRMQEMHJBKHRX-NSHDSACASA-N -1 0 325.397 3.108 20 30 EGEDRM Cc1cc2c[nH]nc2c(C([O-])=C(C#N)c2cnc3ccccc3n2)c1 ZINC000361541067 457782179 /nfs/dbraw/zinc/78/21/79/457782179.db2.gz LPGFPACJENZBJW-AWEZNQCLSA-N -1 0 327.347 3.305 20 30 EGEDRM Cc1nc2ccc(C(=O)[C@H](C#N)c3nc4ccccc4[nH]3)cc2n1C ZINC000361654863 457812975 /nfs/dbraw/zinc/81/29/75/457812975.db2.gz MOTOYIDEDZILNP-ZDUSSCGKSA-N -1 0 329.363 3.248 20 30 EGEDRM CCc1c([O-])nc(SCCCC#N)n(-c2ccccc2C)c1=O ZINC000358497295 458038702 /nfs/dbraw/zinc/03/87/02/458038702.db2.gz MOMLVFCECUAHIY-UHFFFAOYSA-N -1 0 329.425 3.205 20 30 EGEDRM N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NCCCCCC(=O)[O-] ZINC000414608621 458324743 /nfs/dbraw/zinc/32/47/43/458324743.db2.gz KHUUZSSMFRDLDR-IAGOWNOFSA-N -1 0 343.427 3.113 20 30 EGEDRM COC(=O)c1ccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)[nH]1 ZINC000429564865 458346950 /nfs/dbraw/zinc/34/69/50/458346950.db2.gz GTSAEJWHKULSND-VIFPVBQESA-N -1 0 331.397 3.045 20 30 EGEDRM CCOc1ccc([N-]S(=O)(=O)[C@H](C#N)CC)c(C(F)(F)F)c1 ZINC000416938927 458357510 /nfs/dbraw/zinc/35/75/10/458357510.db2.gz MBFRWIMGNUITHQ-JTQLQIEISA-N -1 0 336.335 3.148 20 30 EGEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1cnn(-c2ccccc2)c1C(C)C ZINC000416949754 458358813 /nfs/dbraw/zinc/35/88/13/458358813.db2.gz DKLORMNMBKGRJP-CQSZACIVSA-N -1 0 332.429 3.040 20 30 EGEDRM CCSc1n[n-]c(=NCc2cccc(OCCCC#N)c2)s1 ZINC000447957797 458370638 /nfs/dbraw/zinc/37/06/38/458370638.db2.gz BHFQKTSNEYIMKM-UHFFFAOYSA-N -1 0 334.470 3.367 20 30 EGEDRM N#CCN(C(=O)c1cc(F)cc(Br)c1[O-])C1CCCC1 ZINC000436890451 458400509 /nfs/dbraw/zinc/40/05/09/458400509.db2.gz UEDXOXPNFDEBKH-UHFFFAOYSA-N -1 0 341.180 3.202 20 30 EGEDRM COc1ccc(CN=c2[n-]nc(SCC3(C#N)CCC3)s2)cc1 ZINC000450775243 458456629 /nfs/dbraw/zinc/45/66/29/458456629.db2.gz PNUHEWREFXLIIS-UHFFFAOYSA-N -1 0 346.481 3.367 20 30 EGEDRM Cc1cc(C)cc(-c2n[n-]c(=NC(=O)NCC3(CC#N)CC3)s2)c1 ZINC000432476917 458744427 /nfs/dbraw/zinc/74/44/27/458744427.db2.gz KXBIOXYMRUKXNK-UHFFFAOYSA-N -1 0 341.440 3.059 20 30 EGEDRM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cc(CC#N)ccn2)cc1 ZINC000531653365 458953056 /nfs/dbraw/zinc/95/30/56/458953056.db2.gz APGUVRUXLFZPKX-UHFFFAOYSA-N -1 0 329.425 3.246 20 30 EGEDRM CCc1cc(C#N)c([N-]S(=O)(=O)c2cc(F)ccc2F)s1 ZINC000590592655 459155360 /nfs/dbraw/zinc/15/53/60/459155360.db2.gz DGAJIQPKIIPSLW-UHFFFAOYSA-N -1 0 328.365 3.261 20 30 EGEDRM Cc1cc(=NC(=O)c2ccc(C#Cc3ccccc3)cc2)[n-]nc1C ZINC000579750865 459251929 /nfs/dbraw/zinc/25/19/29/459251929.db2.gz DCMRJSMDGQCOSK-UHFFFAOYSA-N -1 0 327.387 3.167 20 30 EGEDRM C=C[C@@H](CC(=O)N=c1nc(-c2cccnc2)[n-]s1)c1ccccc1 ZINC000534736265 459349090 /nfs/dbraw/zinc/34/90/90/459349090.db2.gz QSUYSDXREPYDAU-ZDUSSCGKSA-N -1 0 336.420 3.320 20 30 EGEDRM C=CCN=c1[n-]nc(SCc2nc3c(cccc3F)n2CC)s1 ZINC000483234126 459352639 /nfs/dbraw/zinc/35/26/39/459352639.db2.gz DENICNURBVJUAG-UHFFFAOYSA-N -1 0 349.460 3.359 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2cnnn2-c2ccccc2Cl)n1 ZINC000591861814 459456450 /nfs/dbraw/zinc/45/64/50/459456450.db2.gz FFWSGDONBNVNOR-SNVBAGLBSA-N -1 0 343.799 3.176 20 30 EGEDRM COc1cc(C)cnc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000488229489 459540766 /nfs/dbraw/zinc/54/07/66/459540766.db2.gz HBQGISIQTQUSPR-LLVKDONJSA-N -1 0 335.285 3.303 20 30 EGEDRM N#CCC[C@@H](N=c1nc(C2CCOCC2)[n-]s1)c1ccccc1 ZINC000596171336 459546622 /nfs/dbraw/zinc/54/66/22/459546622.db2.gz KBRIEFNRQYNORY-OAHLLOKOSA-N -1 0 328.441 3.311 20 30 EGEDRM C=CCC[C@H](NC(=O)Nc1ccc(CC(F)(F)F)cc1)C(=O)[O-] ZINC000571141222 459564470 /nfs/dbraw/zinc/56/44/70/459564470.db2.gz LBPJUBNQQVNDHM-LBPRGKRZSA-N -1 0 330.306 3.332 20 30 EGEDRM C#C[C@H](NC(=O)c1cccc([O-])c1[N+](=O)[O-])c1ccc(Cl)cc1F ZINC000491181347 459602566 /nfs/dbraw/zinc/60/25/66/459602566.db2.gz SGPBOIXFRUDYJB-ZDUSSCGKSA-N -1 0 348.717 3.197 20 30 EGEDRM CC(C)Oc1ccc(NC(=O)N2CCC(C)(C(=O)[O-])CC2)cc1C#N ZINC000592466109 459607410 /nfs/dbraw/zinc/60/74/10/459607410.db2.gz PKLPXBNZUSZBLM-UHFFFAOYSA-N -1 0 345.399 3.064 20 30 EGEDRM CC(C)n1cc(C#N)c(=NC(=O)[C@@H](C)Cc2cncc3ccccc32)[n-]1 ZINC000573215838 459643864 /nfs/dbraw/zinc/64/38/64/459643864.db2.gz CJOKDWLRAZPEOI-AWEZNQCLSA-N -1 0 347.422 3.123 20 30 EGEDRM CC(=O)c1ccc([O-])c(NC(=O)C=Cc2ccc(OCC#N)cc2)c1 ZINC000492397114 459703741 /nfs/dbraw/zinc/70/37/41/459703741.db2.gz YNWNRZCERFPUGV-RUDMXATFSA-N -1 0 336.347 3.149 20 30 EGEDRM C=CCC[C@@H](NC(=O)Nc1ccc2oc(C(C)C)nc2c1)C(=O)[O-] ZINC000563514961 459766027 /nfs/dbraw/zinc/76/60/27/459766027.db2.gz QNSFXVFMCZAWEL-GFCCVEGCSA-N -1 0 331.372 3.492 20 30 EGEDRM CCC(C#N)(CC)C(=O)[N-]S(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000528910932 459816548 /nfs/dbraw/zinc/81/65/48/459816548.db2.gz TTZOFFCFSXFUHO-UHFFFAOYSA-N -1 0 336.457 3.055 20 30 EGEDRM CC(C)(C#N)C(=O)N=c1nc(-c2ccccc2C(F)(F)F)[n-]s1 ZINC000598768443 460027823 /nfs/dbraw/zinc/02/78/23/460027823.db2.gz NYNNMOQIZJCVCD-UHFFFAOYSA-N -1 0 340.330 3.134 20 30 EGEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)c1noc2c1COCC2 ZINC000598933843 460094146 /nfs/dbraw/zinc/09/41/46/460094146.db2.gz KGDGITIYPBLDFF-LLVKDONJSA-N -1 0 343.408 3.394 20 30 EGEDRM COc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(C#N)c(F)c1 ZINC000589594384 460107101 /nfs/dbraw/zinc/10/71/01/460107101.db2.gz OBSYNLPMSFWKLD-UHFFFAOYSA-N -1 0 340.763 3.160 20 30 EGEDRM CC1(c2cc([N-]S(=O)(=O)c3cccc(CC#N)c3)no2)CCCC1 ZINC000589593377 460107139 /nfs/dbraw/zinc/10/71/39/460107139.db2.gz QAHZSMZELOSRKS-UHFFFAOYSA-N -1 0 345.424 3.373 20 30 EGEDRM Cn1cc(C#N)c(=NC(=O)N2CCCCC[C@H]2/C=C\c2ccccc2)[n-]1 ZINC000610655662 460205748 /nfs/dbraw/zinc/20/57/48/460205748.db2.gz DSVXOYBRTWVYMM-JYBLJSLWSA-N -1 0 349.438 3.204 20 30 EGEDRM N#Cc1cnc([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)s1 ZINC000610725254 460226730 /nfs/dbraw/zinc/22/67/30/460226730.db2.gz QALGGDWMNYRNOL-UHFFFAOYSA-N -1 0 349.824 3.044 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2c(C)oc(C)c2C)n1 ZINC000604432378 460425951 /nfs/dbraw/zinc/42/59/51/460425951.db2.gz XXPQBMIWZOWECR-NSHDSACASA-N -1 0 332.381 3.328 20 30 EGEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)C1(c2cccc(F)c2)CCCC1 ZINC000601737184 460885890 /nfs/dbraw/zinc/88/58/90/460885890.db2.gz JWSIUJVKPZRDJH-UHFFFAOYSA-N -1 0 338.386 3.170 20 30 EGEDRM C[C@@H]1CCc2[n-]n(-c3cc(C#N)ccc3Br)c(=O)c2C1 ZINC000601947116 460956947 /nfs/dbraw/zinc/95/69/47/460956947.db2.gz JFFDQRULVUGUBA-MWLCHTKSSA-N -1 0 332.201 3.460 20 30 EGEDRM CCCSc1cccc([N-]S(=O)(=O)c2cccc(CC#N)c2)n1 ZINC000601960228 460962304 /nfs/dbraw/zinc/96/23/04/460962304.db2.gz QDCSHHGRXRRDTC-UHFFFAOYSA-N -1 0 347.465 3.451 20 30 EGEDRM C[C@@H](S[C@@H](C)C(=O)[O-])C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000601986324 460972759 /nfs/dbraw/zinc/97/27/59/460972759.db2.gz UAZZAKGINKRZHI-SFYZADRCSA-N -1 0 346.330 3.110 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)[C@@H](CC)Oc1ccccc1Cl)C(=O)[O-] ZINC000630319700 461094454 /nfs/dbraw/zinc/09/44/54/461094454.db2.gz GCZUNFYOSASRHM-CHWSQXEVSA-N -1 0 325.792 3.033 20 30 EGEDRM C=C(C)C[C@H](NC(=O)[C@@H](C)Cc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000630327143 461096100 /nfs/dbraw/zinc/09/61/00/461096100.db2.gz XILRDLPDSZPYGG-FZMZJTMJSA-N -1 0 343.345 3.420 20 30 EGEDRM C=CCOc1c(Cl)cc(C[NH2+]C2([C@H](C)C(=O)[O-])CC2)cc1OC ZINC000630462138 461135299 /nfs/dbraw/zinc/13/52/99/461135299.db2.gz KHUZKYZPBOCNPV-LLVKDONJSA-N -1 0 339.819 3.256 20 30 EGEDRM C=CCSc1ccccc1C(=O)N=c1nc(C(C)(C)OC)[n-]s1 ZINC000634151882 461445163 /nfs/dbraw/zinc/44/51/63/461445163.db2.gz OFFSTAOJWUIKCC-UHFFFAOYSA-N -1 0 349.481 3.372 20 30 EGEDRM C=CCC[C@H](NC(=O)NCc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000656585192 461798222 /nfs/dbraw/zinc/79/82/22/461798222.db2.gz POHDEHIMCIHLPO-LBPRGKRZSA-N -1 0 331.199 3.212 20 30 EGEDRM C=CCOc1ccc(C(=O)NCC2(CC(=O)[O-])CCCCC2)cc1 ZINC000324339391 547471743 /nfs/dbraw/zinc/47/17/43/547471743.db2.gz CTBLFIJZQJGYIS-UHFFFAOYSA-N -1 0 331.412 3.406 20 30 EGEDRM C=CCOc1ccc(C(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC000325265754 547475028 /nfs/dbraw/zinc/47/50/28/547475028.db2.gz KZNMOBIMNRYJNN-HNNXBMFYSA-N -1 0 331.412 3.214 20 30 EGEDRM Cn1cc(C([O-])=C(C#N)c2ccc3ccccc3n2)c(C(F)F)n1 ZINC000677234249 549234398 /nfs/dbraw/zinc/23/43/98/549234398.db2.gz SFXFKQQDLQLLFM-NSHDSACASA-N -1 0 326.306 3.396 20 30 EGEDRM COc1ncccc1C([O-])=C(C#N)c1nc2cc(F)ccc2s1 ZINC000678325294 549469947 /nfs/dbraw/zinc/46/99/47/549469947.db2.gz PZYJLLNLBJOZMV-NSHDSACASA-N -1 0 327.340 3.329 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1csc(C(C)(C)C)n1 ZINC000726733264 574568647 /nfs/dbraw/zinc/56/86/47/574568647.db2.gz TYDXHSPUOLCBAJ-LBPRGKRZSA-N -1 0 335.473 3.460 20 30 EGEDRM O=C1Nc2ccc(Cl)cc2C1=N[N-]c1nc(-c2ccccc2)no1 ZINC000726739435 574569169 /nfs/dbraw/zinc/56/91/69/574569169.db2.gz MEPJYVLIEJMYBU-UHFFFAOYSA-N -1 0 339.742 3.158 20 30 EGEDRM Cc1cc(C)cc(N(CCC#N)C(=O)CSC[C@@H](C)C(=O)[O-])c1 ZINC000738364794 574610655 /nfs/dbraw/zinc/61/06/55/574610655.db2.gz VGPJGMXTDWVMHW-CQSZACIVSA-N -1 0 334.441 3.004 20 30 EGEDRM N#CCOc1ccc(COC(=O)c2ccc(NC(=O)[O-])cc2)cc1 ZINC000738427031 574663831 /nfs/dbraw/zinc/66/38/31/574663831.db2.gz WBISLTJNLPDXNG-UHFFFAOYSA-N -1 0 326.308 3.036 20 30 EGEDRM C[C@@H]1C[C@@H](CC(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)CC(C)(C)C1 ZINC000727629932 574678700 /nfs/dbraw/zinc/67/87/00/574678700.db2.gz ZTYRVHQMMLJTOR-HIFRSBDPSA-N -1 0 348.468 3.216 20 30 EGEDRM CCn1nc(C)c(/C=C\C(=O)c2cccc(O[C@@H](C)C(=O)[O-])c2)c1C ZINC000727974924 574707510 /nfs/dbraw/zinc/70/75/10/574707510.db2.gz OCMBNZWBJSKJST-CMUBDUJZSA-N -1 0 342.395 3.268 20 30 EGEDRM CCn1nc(C)c(/C=C/C(=O)c2cccc(O[C@H](C)C(=O)[O-])c2)c1C ZINC000727974919 574707551 /nfs/dbraw/zinc/70/75/51/574707551.db2.gz OCMBNZWBJSKJST-ATWMFIQVSA-N -1 0 342.395 3.268 20 30 EGEDRM CCCCCCCOC(=O)Cc1c(C)nc(-c2ncccn2)[n-]c1=O ZINC000729710508 574880490 /nfs/dbraw/zinc/88/04/90/574880490.db2.gz DVEDNFXVQJTTFV-UHFFFAOYSA-N -1 0 344.415 3.004 20 30 EGEDRM COc1cc(C#N)ccc1OCCOc1ccc(C(=O)[O-])cc1Cl ZINC000737844635 574992487 /nfs/dbraw/zinc/99/24/87/574992487.db2.gz PIUMVKZRERBQDR-UHFFFAOYSA-N -1 0 347.754 3.376 20 30 EGEDRM Cc1ccc(O[C@@H](C)C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000738640283 575005480 /nfs/dbraw/zinc/00/54/80/575005480.db2.gz XMMZNLHNPOMPCE-SUMWQHHRSA-N -1 0 339.347 3.003 20 30 EGEDRM CC(=NNc1[n-]cnc2ncnc1-2)c1ccccc1OC(F)(F)F ZINC000730946900 575038695 /nfs/dbraw/zinc/03/86/95/575038695.db2.gz SZUUWUVBUZFTIX-UHFFFAOYSA-N -1 0 336.277 3.088 20 30 EGEDRM C#CCOc1ccc(NC(=O)c2cccc(Br)c2[O-])cc1 ZINC000731052645 575049612 /nfs/dbraw/zinc/04/96/12/575049612.db2.gz DDCMLWABABEWHO-UHFFFAOYSA-N -1 0 346.180 3.419 20 30 EGEDRM COc1cc(/C=C2\COc3ccc(F)cc3C2=O)cc([N+](=O)[O-])c1[O-] ZINC000731565025 575080834 /nfs/dbraw/zinc/08/08/34/575080834.db2.gz CQVMWZNCXWFXEQ-ONNFQVAWSA-N -1 0 345.282 3.107 20 30 EGEDRM Cc1cccc(N=C2NN=C(c3cc(C(=O)[O-])co3)CS2)c1C ZINC000738736782 575271957 /nfs/dbraw/zinc/27/19/57/575271957.db2.gz WAZSYIZEVISCOY-UHFFFAOYSA-N -1 0 329.381 3.323 20 30 EGEDRM CCc1cccc2c1NC(=O)C2=NNc1ccc(Cl)c(C(=O)[O-])c1 ZINC000733078044 575305754 /nfs/dbraw/zinc/30/57/54/575305754.db2.gz RYUXIPPFVDFQOQ-UHFFFAOYSA-N -1 0 343.770 3.369 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@@H](C)CC2CCCC2)n1 ZINC000734052990 575431173 /nfs/dbraw/zinc/43/11/73/575431173.db2.gz BCCXXUYZDSWZRU-SMDDNHRTSA-N -1 0 334.441 3.387 20 30 EGEDRM O=C([O-])CCOc1ccc(C=NNc2cc(F)c(F)cc2F)cc1 ZINC000734302917 575464024 /nfs/dbraw/zinc/46/40/24/575464024.db2.gz VDPHNEORSSAIHY-UHFFFAOYSA-N -1 0 338.285 3.403 20 30 EGEDRM N#CCCN(C(=O)c1n[n-]c2ccccc2c1=O)c1ccc(F)cc1 ZINC000735656633 575697083 /nfs/dbraw/zinc/69/70/83/575697083.db2.gz HLMYYFLRQGPVMK-UHFFFAOYSA-N -1 0 336.326 3.035 20 30 EGEDRM C#CCOc1cccc(Oc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])c1 ZINC000736087139 575897532 /nfs/dbraw/zinc/89/75/32/575897532.db2.gz CHCVRVPPPZCEHK-CLFYSBASSA-N -1 0 339.303 3.497 20 30 EGEDRM C=C(C)COc1cccc(NC(=O)NCc2ccc(C(=O)[O-])o2)c1 ZINC000736094731 575898743 /nfs/dbraw/zinc/89/87/43/575898743.db2.gz UHIAKLAMBPDBPJ-UHFFFAOYSA-N -1 0 330.340 3.254 20 30 EGEDRM C=CCOc1ccccc1C(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000736114208 575900762 /nfs/dbraw/zinc/90/07/62/575900762.db2.gz OABVDAYXYYLBCP-MRXNPFEDSA-N -1 0 330.311 3.373 20 30 EGEDRM CC(C)(C)n1cc(C#N)cc1NC(=O)c1ccc(NC(=O)[O-])cc1 ZINC000736306314 575929592 /nfs/dbraw/zinc/92/95/92/575929592.db2.gz PVERXZOITFLZKI-UHFFFAOYSA-N -1 0 326.356 3.457 20 30 EGEDRM CC(C)Oc1ccc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000736491827 575973137 /nfs/dbraw/zinc/97/31/37/575973137.db2.gz SMNKTGGSMKNLRW-KRWDZBQOSA-N -1 0 339.347 3.328 20 30 EGEDRM CC[C@@](NC(=O)/C=C\c1ccccc1C#N)(C(=O)[O-])c1ccccc1 ZINC000736908341 576057155 /nfs/dbraw/zinc/05/71/55/576057155.db2.gz WPGZYZJGXIYRBM-CBUFDYBVSA-N -1 0 334.375 3.078 20 30 EGEDRM CCO[C@H](C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccccc1 ZINC000737157726 576126409 /nfs/dbraw/zinc/12/64/09/576126409.db2.gz WUZHTHNVOFVBNX-IRXDYDNUSA-N -1 0 339.347 3.005 20 30 EGEDRM CCOc1ccc(C#N)cc1NC(=O)c1cccc(NC(=O)[O-])c1 ZINC000737195043 576134314 /nfs/dbraw/zinc/13/43/14/576134314.db2.gz TYXZTHRAAAKFRG-UHFFFAOYSA-N -1 0 325.324 3.299 20 30 EGEDRM CN(CCCC(=O)Nc1sc2c(c1C#N)CCCCC2)C(=O)[O-] ZINC000737432548 576228445 /nfs/dbraw/zinc/22/84/45/576228445.db2.gz CXJOJHVLXHOARR-UHFFFAOYSA-N -1 0 335.429 3.217 20 30 EGEDRM Cc1cc(N[C@@H]2CCCN(C(=O)[O-])C2)n2c3ccccc3nc2c1C#N ZINC000738453286 576328044 /nfs/dbraw/zinc/32/80/44/576328044.db2.gz XZNXPFLBORXEDU-CYBMUJFWSA-N -1 0 349.394 3.222 20 30 EGEDRM Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(NC(=O)[O-])c2)c1 ZINC000738733184 576356682 /nfs/dbraw/zinc/35/66/82/576356682.db2.gz QEJQEMVSVFDCLU-HNNXBMFYSA-N -1 0 337.335 3.046 20 30 EGEDRM N#CCCN(C(=O)CCc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1 ZINC000739073221 576376874 /nfs/dbraw/zinc/37/68/74/576376874.db2.gz QLGANDXRJINAAW-UHFFFAOYSA-N -1 0 340.354 3.403 20 30 EGEDRM N#CCOc1ccccc1C(=O)O[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000739091137 576377496 /nfs/dbraw/zinc/37/74/96/576377496.db2.gz GALWGNXGYBQKGV-OAHLLOKOSA-N -1 0 345.738 3.225 20 30 EGEDRM N#Cc1ccc(C(=O)OCc2c3ccccc3sc2C(=O)[O-])cn1 ZINC000739105345 576378095 /nfs/dbraw/zinc/37/80/95/576378095.db2.gz KTZPGNKWGOWMGK-UHFFFAOYSA-N -1 0 338.344 3.223 20 30 EGEDRM N#Cc1ccc(CNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])c(F)c1 ZINC000739118320 576378970 /nfs/dbraw/zinc/37/89/70/576378970.db2.gz RHMQIJCGJFKJAH-UTCJRWHESA-N -1 0 341.298 3.315 20 30 EGEDRM N#Cc1ccc(NC(=O)CCc2ccc(C(=O)[O-])cc2)cc1Cl ZINC000739122215 576379110 /nfs/dbraw/zinc/37/91/10/576379110.db2.gz BBHFXLHFYIDVRL-UHFFFAOYSA-N -1 0 328.755 3.481 20 30 EGEDRM CC(=NNc1cnnc([O-])c1Cl)c1c(Cl)nc2sccn21 ZINC000741848067 576727399 /nfs/dbraw/zinc/72/73/99/576727399.db2.gz QLOLAROWWIHOEL-UHFFFAOYSA-N -1 0 343.199 3.034 20 30 EGEDRM Cc1cc(/C=C\C(=O)c2csc(C(=O)[O-])c2)ccc1-n1cncn1 ZINC000742435366 576784087 /nfs/dbraw/zinc/78/40/87/576784087.db2.gz WLTXYTHNNUUAFF-HYXAFXHYSA-N -1 0 339.376 3.232 20 30 EGEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1cnc2ccsc2c1 ZINC000744027362 576819101 /nfs/dbraw/zinc/81/91/01/576819101.db2.gz RLQVXMVSFQWEOO-ZDUSSCGKSA-N -1 0 327.409 3.068 20 30 EGEDRM CN(CCC(=O)[O-])C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 ZINC000818435682 596985558 /nfs/dbraw/zinc/98/55/58/596985558.db2.gz WLGXKKYLDKHEAH-QGZVFWFLSA-N -1 0 337.379 3.280 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)OCc1nc2ccccc2c2ccccc12 ZINC000819873581 597621639 /nfs/dbraw/zinc/62/16/39/597621639.db2.gz BXLXTLKYUKGZJE-FQEVSTJZSA-N -1 0 348.358 3.436 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(CNc2ccccc2)cc1 ZINC000819849256 597652625 /nfs/dbraw/zinc/65/26/25/597652625.db2.gz YKDBJDHYHKQETK-IBGZPJMESA-N -1 0 337.379 3.242 20 30 EGEDRM Cc1nc(-c2ccccc2)sc1NC(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000821159950 597794780 /nfs/dbraw/zinc/79/47/80/597794780.db2.gz MQFXKWYYQIEHPA-INIZCTEOSA-N -1 0 329.381 3.062 20 30 EGEDRM C[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1ccc(Cl)cc1Cl ZINC000820114540 598222361 /nfs/dbraw/zinc/22/23/61/598222361.db2.gz PDPCPBKYAIVKFD-RMLUDKJBSA-N -1 0 329.183 3.175 20 30 EGEDRM C[C@@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])c1cc(Cl)ccc1Cl ZINC000820114168 598223600 /nfs/dbraw/zinc/22/36/00/598223600.db2.gz KUZXRTXEWOEBAJ-CLAHSXSESA-N -1 0 329.183 3.175 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000819856969 598226763 /nfs/dbraw/zinc/22/67/63/598226763.db2.gz PXNQNGKPHLEPQS-IBGZPJMESA-N -1 0 349.346 3.294 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000819834427 598227460 /nfs/dbraw/zinc/22/74/60/598227460.db2.gz NDDWBVSPVKVIDV-IAQYHMDHSA-N -1 0 341.194 3.101 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000819846636 598228385 /nfs/dbraw/zinc/22/83/85/598228385.db2.gz FIUISAZIOPQWSK-GOSISDBHSA-N -1 0 330.384 3.089 20 30 EGEDRM N#Cc1cc(C(=O)[O-])cn(CCCSc2ccccc2Cl)c1=O ZINC000739092005 599750256 /nfs/dbraw/zinc/75/02/56/599750256.db2.gz DMEOKTPJOMRNMT-UHFFFAOYSA-N -1 0 348.811 3.254 20 30 EGEDRM N#Cc1ccc([C@@H](OC(=O)Cc2c(F)cccc2Cl)C(=O)[O-])cc1 ZINC000739115022 600610469 /nfs/dbraw/zinc/61/04/69/600610469.db2.gz NAURTYKKGLTXQQ-MRXNPFEDSA-N -1 0 347.729 3.262 20 30 EGEDRM COc1ccc([C@@H](C)C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000737950441 600617612 /nfs/dbraw/zinc/61/76/12/600617612.db2.gz QUFNTCVQXMUNBZ-PXAZEXFGSA-N -1 0 339.347 3.039 20 30 EGEDRM COc1ccc([C@H](C)C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000737950450 600617616 /nfs/dbraw/zinc/61/76/16/600617616.db2.gz QUFNTCVQXMUNBZ-YVEFUNNKSA-N -1 0 339.347 3.039 20 30 EGEDRM C[C@@H](Oc1ccccc1C#N)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000178257270 600619424 /nfs/dbraw/zinc/61/94/24/600619424.db2.gz VATZRTFEOXEORY-SNVBAGLBSA-N -1 0 344.754 3.316 20 30 EGEDRM C[C@@H](C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1cccc(F)c1 ZINC000826061385 600705796 /nfs/dbraw/zinc/70/57/96/600705796.db2.gz PQDBUGODDBSBHI-BZNIZROVSA-N -1 0 327.311 3.170 20 30 EGEDRM C[C@H](NC(=O)N1Cc2ccc(C(=O)[O-])cc2C1)c1cccc(C#N)c1 ZINC000827653787 600779313 /nfs/dbraw/zinc/77/93/13/600779313.db2.gz ROLQHPWUPKBJCO-LBPRGKRZSA-N -1 0 335.363 3.043 20 30 EGEDRM CC(C)CN(C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)c1ccc(C#N)cc1 ZINC000826864902 600914169 /nfs/dbraw/zinc/91/41/69/600914169.db2.gz AXHVBQQOHFKIHG-JKSUJKDBSA-N -1 0 328.412 3.438 20 30 EGEDRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)C#Cc2ccccc2)cc1 ZINC000832777545 601199676 /nfs/dbraw/zinc/19/96/76/601199676.db2.gz RKWCXSBBNKOCHL-QGZVFWFLSA-N -1 0 339.416 3.092 20 30 EGEDRM O=C([O-])c1cc(C(=O)Nc2cccc(C#Cc3ccccc3)c2)ccn1 ZINC000833159446 601248384 /nfs/dbraw/zinc/24/83/84/601248384.db2.gz DRUOKOXUOGMXJS-UHFFFAOYSA-N -1 0 342.354 3.432 20 30 EGEDRM N#Cc1cccc([C@H](OC(=O)c2cc3cc(F)ccc3[nH]2)C(=O)[O-])c1 ZINC000833076019 601346256 /nfs/dbraw/zinc/34/62/56/601346256.db2.gz GNJNAZNOQRPWIA-INIZCTEOSA-N -1 0 338.294 3.161 20 30 EGEDRM N#Cc1cccc([C@H](OC(=O)c2cccc(-n3cccc3)c2)C(=O)[O-])c1 ZINC000833076897 601347067 /nfs/dbraw/zinc/34/70/67/601347067.db2.gz JENKJSLQMXYPLF-SFHVURJKSA-N -1 0 346.342 3.332 20 30 EGEDRM COc1ccc([C@H](C)C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000832216872 601352880 /nfs/dbraw/zinc/35/28/80/601352880.db2.gz ULYYPYVUTRPHFU-YVEFUNNKSA-N -1 0 339.347 3.039 20 30 EGEDRM N#Cc1cccc([C@@H](OC(=O)c2cc3occc3s2)C(=O)[O-])c1 ZINC000833075810 601354057 /nfs/dbraw/zinc/35/40/57/601354057.db2.gz FGBGNZXEMQTIQE-CQSZACIVSA-N -1 0 327.317 3.349 20 30 EGEDRM CC[C@@](C)(CC(=O)[O-])NC(=S)Nc1ccc(C#N)c(Cl)c1 ZINC000828652017 601472309 /nfs/dbraw/zinc/47/23/09/601472309.db2.gz DHLMEASIUSALIH-AWEZNQCLSA-N -1 0 325.821 3.141 20 30 EGEDRM N#Cc1cc(F)c(C(=O)OCc2ccc(F)cc2C(=O)[O-])c(F)c1 ZINC000833069247 601607581 /nfs/dbraw/zinc/60/75/81/601607581.db2.gz YUHRETATZFVCCU-UHFFFAOYSA-N -1 0 335.237 3.031 20 30 EGEDRM C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H](CC(=O)[O-])C1CC1 ZINC000825966487 601624138 /nfs/dbraw/zinc/62/41/38/601624138.db2.gz FDLPUZKQRNFJFD-RISCZKNCSA-N -1 0 347.440 3.313 20 30 EGEDRM N#Cc1cccc([C@@H](NCc2cc([N+](=O)[O-])ccc2Cl)C(=O)[O-])c1 ZINC000833075234 601644292 /nfs/dbraw/zinc/64/42/92/601644292.db2.gz JDNMLLRUNRLEEN-OAHLLOKOSA-N -1 0 345.742 3.035 20 30 EGEDRM CC[C@@H](NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)C(=O)[O-] ZINC000818308195 601752262 /nfs/dbraw/zinc/75/22/62/601752262.db2.gz WMVSJZYTMUSNFF-QGZVFWFLSA-N -1 0 338.363 3.138 20 30 EGEDRM C=C(C)CN(CC)C(=O)[C@@H](C)SCc1ccc(C(=O)[O-])s1 ZINC000825642331 601847187 /nfs/dbraw/zinc/84/71/87/601847187.db2.gz PQRXYHIXYQFZNZ-LLVKDONJSA-N -1 0 327.471 3.493 20 30 EGEDRM COc1cc(C(=O)/C=C/c2ccc(C(=O)[O-])cc2)c(OC)cc1O ZINC000763103539 601951217 /nfs/dbraw/zinc/95/12/17/601951217.db2.gz DMDIRWPNEJUXLW-VMPITWQZSA-N -1 0 328.320 3.004 20 30 EGEDRM C[C@@H](Oc1ccc(C=NNCCCc2ccccc2)cc1)C(=O)[O-] ZINC000794904820 602074187 /nfs/dbraw/zinc/07/41/87/602074187.db2.gz MBUHNDPCIWFWJE-OAHLLOKOSA-N -1 0 326.396 3.095 20 30 EGEDRM O=C([O-])COc1ccc(C(=O)/C=C\c2cccc(-n3cccn3)c2)cc1 ZINC000833252842 602099375 /nfs/dbraw/zinc/09/93/75/602099375.db2.gz KWVJFSWQKKIGRB-YHYXMXQVSA-N -1 0 348.358 3.232 20 30 EGEDRM C[C@@H](Oc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1)C(=O)[O-] ZINC000794689811 602105037 /nfs/dbraw/zinc/10/50/37/602105037.db2.gz FDJYIVZOULGTRR-WNPFHQFXSA-N -1 0 340.331 3.163 20 30 EGEDRM C[C@@H](Oc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1)C(=O)[O-] ZINC000794692788 602105495 /nfs/dbraw/zinc/10/54/95/602105495.db2.gz WQAJJBVVHGQGGU-KBVBDRTLSA-N -1 0 341.319 3.343 20 30 EGEDRM C[C@H](Oc1ccc(/C=C2/COc3ccc(F)cc3C2=O)cc1)C(=O)[O-] ZINC000794706547 602110609 /nfs/dbraw/zinc/11/06/09/602110609.db2.gz GHEOMZNMPHFFNE-LFTLCWSBSA-N -1 0 342.322 3.336 20 30 EGEDRM C[C@@H](Oc1ccc(/C=C2/CCc3cc(O)ccc3C2=O)cc1)C(=O)[O-] ZINC000794708898 602111142 /nfs/dbraw/zinc/11/11/42/602111142.db2.gz VALMPDJCUSIZLF-DYTQJMLRSA-N -1 0 338.359 3.457 20 30 EGEDRM CN(Cc1cccc(C#N)c1)c1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000830845379 602251650 /nfs/dbraw/zinc/25/16/50/602251650.db2.gz VSKHGZPCZDYCGN-UHFFFAOYSA-N -1 0 345.742 3.454 20 30 EGEDRM N#CCOc1cc(F)ccc1NC(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000833067944 602283187 /nfs/dbraw/zinc/28/31/87/602283187.db2.gz KRYHRWGFCSPBCH-UHFFFAOYSA-N -1 0 344.302 3.462 20 30 EGEDRM C=CCNc1ncc(C(=O)Nc2ccc(N(C)C(=O)[O-])cc2)s1 ZINC000825692317 602285301 /nfs/dbraw/zinc/28/53/01/602285301.db2.gz QBCJQZRMFFFBCT-UHFFFAOYSA-N -1 0 332.385 3.108 20 30 EGEDRM CCC(CC)n1nccc1C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000828874944 604444692 /nfs/dbraw/zinc/44/46/92/604444692.db2.gz WDGFYSGPXQTDCZ-MRXNPFEDSA-N -1 0 341.367 3.099 20 30 EGEDRM C=C(C)[C@H](CC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1)OCC ZINC000833367587 604570096 /nfs/dbraw/zinc/57/00/96/604570096.db2.gz ORYYQAXXORIOPN-AWEZNQCLSA-N -1 0 341.791 3.113 20 30 EGEDRM COCCOc1cccc(/C=C\C(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000831779555 604627315 /nfs/dbraw/zinc/62/73/15/604627315.db2.gz PAPBIJRGCLJDEA-YHYXMXQVSA-N -1 0 326.348 3.306 20 30 EGEDRM COc1cc(/C=C\C(=O)c2ccc(C(=O)[O-])cc2)cc(OC)c1O ZINC000831975416 604629670 /nfs/dbraw/zinc/62/96/70/604629670.db2.gz FKMOHAZBGPYRAK-BAQGIRSFSA-N -1 0 328.320 3.004 20 30 EGEDRM C#CC[C@H](NC(=O)Cn1cc(C(=O)[O-])c2ccccc21)c1ccccc1 ZINC000833361089 604651739 /nfs/dbraw/zinc/65/17/39/604651739.db2.gz WIJNKVBWGYJBGK-SFHVURJKSA-N -1 0 346.386 3.220 20 30 EGEDRM C=CCc1cc(CNc2cccc(C(=O)[O-])n2)cc(OC)c1OC ZINC000833379610 604711053 /nfs/dbraw/zinc/71/10/53/604711053.db2.gz IQJBTTGAZSSQKX-UHFFFAOYSA-N -1 0 328.368 3.138 20 30 EGEDRM C[C@H](C#N)CNN=Cc1ccccc1OCc1ccc(C(=O)[O-])cc1 ZINC000825966526 604792018 /nfs/dbraw/zinc/79/20/18/604792018.db2.gz GDPSCJVJBCSIHH-CQSZACIVSA-N -1 0 337.379 3.047 20 30 EGEDRM Cc1cccc2c1ncc(C#N)c2NC[C@@H](C(=O)[O-])c1ccccc1 ZINC000832974019 604805118 /nfs/dbraw/zinc/80/51/18/604805118.db2.gz HWRCPTAFLIQCDB-QGZVFWFLSA-N -1 0 331.375 3.117 20 30 EGEDRM C[C@H](COc1cccc(C#N)c1)OC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000827524879 604885217 /nfs/dbraw/zinc/88/52/17/604885217.db2.gz MLFIHNWWDJAQMG-LLVKDONJSA-N -1 0 343.310 3.020 20 30 EGEDRM N#Cc1ccc([C@@H](OC(=O)[C@H]2CCCc3sccc32)C(=O)[O-])cc1 ZINC000833071821 604887761 /nfs/dbraw/zinc/88/77/61/604887761.db2.gz JCOWJPVEOXNSKO-GOEBONIOSA-N -1 0 341.388 3.409 20 30 EGEDRM C=CCn1c(S[C@@H](C(=O)[O-])C2CC2)nnc1-c1ccccc1F ZINC000833380265 605069774 /nfs/dbraw/zinc/06/97/74/605069774.db2.gz AFJDZRXXGJBOCU-CYBMUJFWSA-N -1 0 333.388 3.226 20 30 EGEDRM C=C(C)COc1cccc(NC(=O)Nc2cc(C(=O)[O-])n(C)c2)c1 ZINC000833370070 605166692 /nfs/dbraw/zinc/16/66/92/605166692.db2.gz JQRTYUIJAPQAPE-UHFFFAOYSA-N -1 0 329.356 3.322 20 30 EGEDRM CN(C(=O)CNc1cc(C(=O)[O-])ccc1Cl)C1(C#N)CCCCC1 ZINC000833685717 605199934 /nfs/dbraw/zinc/19/99/34/605199934.db2.gz KXTWYRZLARRFEY-UHFFFAOYSA-N -1 0 349.818 3.135 20 30 EGEDRM CC[C@](NC(=O)c1ccc(C2(C#N)CC2)cc1)(C(=O)[O-])c1ccccc1 ZINC000833643732 605213510 /nfs/dbraw/zinc/21/35/10/605213510.db2.gz ZXGQEJBQFWOSLW-OAQYLSRUSA-N -1 0 348.402 3.362 20 30 EGEDRM COc1ccc2[nH]c(=NN=Cc3ccc(C(=O)[O-])o3)c(C)cc2c1 ZINC000833734880 605287885 /nfs/dbraw/zinc/28/78/85/605287885.db2.gz IWRSTIMFSVTLIV-UHFFFAOYSA-N -1 0 325.324 3.289 20 30 EGEDRM COc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc([N+](=O)[O-])c1[O-] ZINC000016406640 1291173381 /nfs/dbraw/zinc/17/33/81/1291173381.db2.gz GOFKSHZQONEJDP-AATRIKPKSA-N -1 0 344.279 3.113 20 30 EGEDRM N#Cc1ccccc1[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000036139240 1291395570 /nfs/dbraw/zinc/39/55/70/1291395570.db2.gz NDSOITLRIUTUCF-UHFFFAOYSA-N -1 0 328.180 3.061 20 30 EGEDRM C[C@H](Oc1cccc(Cl)c1)C(=O)[N-]S(=O)(=O)c1ccccc1 ZINC000042232094 1291437171 /nfs/dbraw/zinc/43/71/71/1291437171.db2.gz FLFNWXKEWNWSKI-NSHDSACASA-N -1 0 339.800 3.453 20 30 EGEDRM COCc1cccc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000042233588 1291437272 /nfs/dbraw/zinc/43/72/72/1291437272.db2.gz UGVQWMWZAJLRJK-UHFFFAOYSA-N -1 0 339.800 3.180 20 30 EGEDRM Cn1cc(Cl)cc1C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000042233605 1291437543 /nfs/dbraw/zinc/43/75/43/1291437543.db2.gz UZTOCMVVNPJAQT-UHFFFAOYSA-N -1 0 333.196 3.025 20 30 EGEDRM CCOc1ccc(S(=O)(=O)[N-]C(=O)Cc2cccc(F)c2)cc1 ZINC000042246860 1291438266 /nfs/dbraw/zinc/43/82/66/1291438266.db2.gz DFABOKDSRVAYRR-UHFFFAOYSA-N -1 0 337.372 3.112 20 30 EGEDRM Cc1ccc(C(=O)[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000042340049 1291441821 /nfs/dbraw/zinc/44/18/21/1291441821.db2.gz NVDLBIACPLUMGM-UHFFFAOYSA-N -1 0 348.380 3.046 20 30 EGEDRM Cn1cc(C(=O)[N-]S(=O)(=O)Cc2ccc(F)cc2)c2ccccc21 ZINC000045099984 1291504984 /nfs/dbraw/zinc/50/49/84/1291504984.db2.gz CEFLYTFMFJDWQY-UHFFFAOYSA-N -1 0 346.383 3.152 20 30 EGEDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)c1ccccc1OC(F)F ZINC000046928105 1291557817 /nfs/dbraw/zinc/55/78/17/1291557817.db2.gz NQRNTSJFKMKNLL-UHFFFAOYSA-N -1 0 341.335 3.290 20 30 EGEDRM C[C@@H](Oc1ccccc1Cl)C(=O)[N-]S(=O)(=O)c1ccccc1 ZINC000048406149 1291602882 /nfs/dbraw/zinc/60/28/82/1291602882.db2.gz DDFPEDKFPSWQJF-LLVKDONJSA-N -1 0 339.800 3.453 20 30 EGEDRM CCCc1ccc(S(=O)(=O)[N-]C(=O)CCOCC(C)C)cc1 ZINC000048563285 1291611169 /nfs/dbraw/zinc/61/11/69/1291611169.db2.gz CBNKGGHUJNZJFW-UHFFFAOYSA-N -1 0 327.446 3.347 20 30 EGEDRM COc1cccc(CCC(=O)[N-]S(=O)(=O)c2ccccc2F)c1 ZINC000048588424 1291612599 /nfs/dbraw/zinc/61/25/99/1291612599.db2.gz LKIZSROVLGRUHI-UHFFFAOYSA-N -1 0 337.372 3.112 20 30 EGEDRM Cc1nc(-c2ccc(Cl)s2)sc1C(=O)[N-]S(C)(=O)=O ZINC000049302227 1291627466 /nfs/dbraw/zinc/62/74/66/1291627466.db2.gz IKMGBPYZXMFIHU-UHFFFAOYSA-N -1 0 336.847 3.098 20 30 EGEDRM O=C([N-]S(=O)(=O)N1CCCCC1)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000052794040 1291712470 /nfs/dbraw/zinc/71/24/70/1291712470.db2.gz KCXNHLSCJBPJSR-WDEREUQCSA-N -1 0 342.383 3.042 20 30 EGEDRM CC(C)COCCC(=O)[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000058041244 1291875765 /nfs/dbraw/zinc/87/57/65/1291875765.db2.gz GUZBWEWQEWVSKR-UHFFFAOYSA-N -1 0 337.441 3.323 20 30 EGEDRM O=C(CC1CCCCC1)[N-]S(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000058112694 1291878960 /nfs/dbraw/zinc/87/89/60/1291878960.db2.gz GVTFIEXZTTYXPW-UHFFFAOYSA-N -1 0 347.440 3.488 20 30 EGEDRM CCCCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000065493324 1292080160 /nfs/dbraw/zinc/08/01/60/1292080160.db2.gz BAPSTVSJHBWSTG-VIFPVBQESA-N -1 0 337.800 3.330 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2cc([N+](=O)[O-])ccc2C)cc1C ZINC000065643352 1292083846 /nfs/dbraw/zinc/08/38/46/1292083846.db2.gz ZDGPYFIKAMLLDO-UHFFFAOYSA-N -1 0 348.380 3.214 20 30 EGEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N/C[C@H](O)c2cccc(F)c2)c1[O-] ZINC000065999069 1292104036 /nfs/dbraw/zinc/10/40/36/1292104036.db2.gz BZSCLIZVDMJCJD-AVWXOPBPSA-N -1 0 338.722 3.245 20 30 EGEDRM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)[C@@H](C)OCCC(C)C)c1 ZINC000069282651 1292237827 /nfs/dbraw/zinc/23/78/27/1292237827.db2.gz UNLCNURYHPGOTE-CQSZACIVSA-N -1 0 327.446 3.400 20 30 EGEDRM CC(C)OCCC(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000069622391 1292246966 /nfs/dbraw/zinc/24/69/66/1292246966.db2.gz MJRPSHKXKNVRET-UHFFFAOYSA-N -1 0 339.335 3.166 20 30 EGEDRM CC(C)C[C@H](C)CC(=O)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000070034328 1292254942 /nfs/dbraw/zinc/25/49/42/1292254942.db2.gz PTVXYPZDWJMGBJ-JTQLQIEISA-N -1 0 346.380 3.451 20 30 EGEDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)CO[C@@H]1CCCC[C@@H]1C ZINC000073086768 1292304671 /nfs/dbraw/zinc/30/46/71/1292304671.db2.gz IAQBNLZNXUFGJF-GXTWGEPZSA-N -1 0 325.430 3.236 20 30 EGEDRM Cc1sc(-c2ccco2)nc1C(=O)[N-]S(=O)(=O)c1ccccc1 ZINC000075777243 1292410556 /nfs/dbraw/zinc/41/05/56/1292410556.db2.gz GBRPPCXNGKBHIJ-UHFFFAOYSA-N -1 0 348.405 3.405 20 30 EGEDRM CCO[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000075778101 1292411406 /nfs/dbraw/zinc/41/14/06/1292411406.db2.gz PYTHENCRTRRFDY-WCBMZHEXSA-N -1 0 338.212 3.064 20 30 EGEDRM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)CC[C@@H]2CC[C@H](C)O2)c1 ZINC000076757591 1292440338 /nfs/dbraw/zinc/44/03/38/1292440338.db2.gz DYNDQWZUAZXEPC-KBPBESRZSA-N -1 0 325.430 3.296 20 30 EGEDRM Cc1ccc([N+](=O)[O-])c(C(=O)[N-]S(=O)(=O)C=Cc2ccccc2)c1 ZINC000076760676 1292441641 /nfs/dbraw/zinc/44/16/41/1292441641.db2.gz ZWVHRQJIXXAHHQ-MDZDMXLPSA-N -1 0 346.364 3.209 20 30 EGEDRM O=C([N-]S(=O)(=O)c1ccc(Cl)s1)c1ccc(Cl)o1 ZINC000077942705 1292491323 /nfs/dbraw/zinc/49/13/23/1292491323.db2.gz FUNYGBNIEDFNOY-UHFFFAOYSA-N -1 0 326.182 3.341 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@H]2CCC(C)=C(C)C2)n1 ZINC000829799971 1292623301 /nfs/dbraw/zinc/62/33/01/1292623301.db2.gz SLPBHPQMFFSCGX-KBPBESRZSA-N -1 0 332.425 3.308 20 30 EGEDRM N#Cc1csc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCCC3)c1 ZINC000083937622 1292691897 /nfs/dbraw/zinc/69/18/97/1292691897.db2.gz AIHQYCCVBQKIAE-UHFFFAOYSA-N -1 0 346.433 3.192 20 30 EGEDRM COc1cccc([C@@H](C)CC(=O)[N-]S(=O)(=O)C2CCCC2)c1 ZINC000086054394 1292727445 /nfs/dbraw/zinc/72/74/45/1292727445.db2.gz MDBARDAOUPIGQJ-LBPRGKRZSA-N -1 0 325.430 3.418 20 30 EGEDRM COc1ccc2oc(C(=O)[N-]S(=O)(=O)C3CCCC3)c(C)c2c1 ZINC000086055421 1292727884 /nfs/dbraw/zinc/72/78/84/1292727884.db2.gz SZGUJKPLYFXDLU-UHFFFAOYSA-N -1 0 337.397 3.327 20 30 EGEDRM CC=C(C)C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000089967560 1292782902 /nfs/dbraw/zinc/78/29/02/1292782902.db2.gz YCWHXHMLNATZQB-BAQGIRSFSA-N -1 0 332.303 3.188 20 30 EGEDRM COC[C@@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1ccc(F)c(F)c1 ZINC000090987715 1292807771 /nfs/dbraw/zinc/80/77/71/1292807771.db2.gz QFRHCGROWJZBPC-ODGHKMFZSA-N -1 0 336.294 3.385 20 30 EGEDRM O=C(CCc1ccccc1)[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000091125505 1292821058 /nfs/dbraw/zinc/82/10/58/1292821058.db2.gz SDLHKZFSQKRDCF-UHFFFAOYSA-N -1 0 345.420 3.290 20 30 EGEDRM CCC(CC)CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000091125617 1292821516 /nfs/dbraw/zinc/82/15/16/1292821516.db2.gz YJQNAWVBTSZHCD-UHFFFAOYSA-N -1 0 325.430 3.483 20 30 EGEDRM C[C@@H](c1ccc(C([O-])=C(C#N)C(=O)N2CCCC2)cc1)C(F)(F)F ZINC000835057321 1293194918 /nfs/dbraw/zinc/19/49/18/1293194918.db2.gz AWTLWIXSUODJRY-SMDDNHRTSA-N -1 0 338.329 3.297 20 30 EGEDRM C=CCC1(C(=O)[N-]S(=O)(=O)c2cc(C)c(F)cc2F)CCCC1 ZINC000835217845 1293235805 /nfs/dbraw/zinc/23/58/05/1293235805.db2.gz SMVVMKDDDYXIIT-UHFFFAOYSA-N -1 0 343.395 3.215 20 30 EGEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(Oc2ccccc2)cc1 ZINC000124407523 1293474185 /nfs/dbraw/zinc/47/41/85/1293474185.db2.gz UFPAATNASINBSF-GOSISDBHSA-N -1 0 334.375 3.424 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)C(=O)N2CCCC2)c(C)n1-c1cccc(C)c1 ZINC000124448777 1293475862 /nfs/dbraw/zinc/47/58/62/1293475862.db2.gz SDUIIJKGADJSJW-LJQANCHMSA-N -1 0 349.434 3.347 20 30 EGEDRM COC(=O)[C@H](C)Oc1ccc(/C=C/C(=O)c2ccc([O-])c(F)c2)cc1 ZINC000125477430 1293508808 /nfs/dbraw/zinc/50/88/08/1293508808.db2.gz IBEJOZHNKGTEOZ-LHXVZLOVSA-N -1 0 344.338 3.368 20 30 EGEDRM CC(=O)Nc1cccc(C(=O)/C=C/c2ccc([N+](=O)[O-])c([O-])c2)c1 ZINC000129512154 1293626516 /nfs/dbraw/zinc/62/65/16/1293626516.db2.gz PNAYYYWCKZMWGJ-SOFGYWHQSA-N -1 0 326.308 3.155 20 30 EGEDRM Cc1c(C(=O)/C=C/c2ccc([N+](=O)[O-])c([O-])c2)cccc1[N+](=O)[O-] ZINC000130115896 1293645468 /nfs/dbraw/zinc/64/54/68/1293645468.db2.gz JNNRILWPSWHCLE-SOFGYWHQSA-N -1 0 328.280 3.413 20 30 EGEDRM CC(C)NC(=O)C(C#N)=C([O-])c1ccc(COc2ccccc2)cc1 ZINC000130585525 1293662282 /nfs/dbraw/zinc/66/22/82/1293662282.db2.gz ICFAUEZXOOWOCA-GOSISDBHSA-N -1 0 336.391 3.113 20 30 EGEDRM C[C@H](C#N)Oc1ccc(/C=C/C(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000136507483 1293817232 /nfs/dbraw/zinc/81/72/32/1293817232.db2.gz BCJBEJOBUNYKGM-WNPFHQFXSA-N -1 0 338.319 3.487 20 30 EGEDRM C=CC[C@H](NC(=O)CCCSc1ccc(Cl)cc1)C(=O)[O-] ZINC000150132048 1293889656 /nfs/dbraw/zinc/88/96/56/1293889656.db2.gz XSGYLSCDQGFJTE-ZDUSSCGKSA-N -1 0 327.833 3.358 20 30 EGEDRM CC(C)(C)CN(CCC#N)C(=O)CSc1n[n-]c(=S)s1 ZINC000175131830 1294540298 /nfs/dbraw/zinc/54/02/98/1294540298.db2.gz JVIIPJWFLPRLHC-UHFFFAOYSA-N -1 0 330.504 3.081 20 30 EGEDRM N#Cc1ccc(O)c([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000175686202 1294569495 /nfs/dbraw/zinc/56/94/95/1294569495.db2.gz GQNUYRPKWFQSOG-UHFFFAOYSA-N -1 0 343.191 3.371 20 30 EGEDRM N#CC(C(=O)Nc1ccccn1)=C([O-])c1ccc(Oc2ccccc2)o1 ZINC000176542384 1294613189 /nfs/dbraw/zinc/61/31/89/1294613189.db2.gz USCQSQYCFAQUSF-AWEZNQCLSA-N -1 0 347.330 3.428 20 30 EGEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N/Cc2ccn3ccnc3c2)c1[O-] ZINC000177694456 1294687655 /nfs/dbraw/zinc/68/76/55/1294687655.db2.gz LACNDWDDCJFBSR-RQZCQDPDSA-N -1 0 330.731 3.221 20 30 EGEDRM CCCCN(C)c1ccc(C([O-])=C(C#N)C(=O)NC2CCCC2)cc1 ZINC000179985183 1294848401 /nfs/dbraw/zinc/84/84/01/1294848401.db2.gz QMQRAIBKUNLKRO-SFHVURJKSA-N -1 0 341.455 3.304 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2O[C@H](C)C#N)cc1F ZINC000183131578 1295101919 /nfs/dbraw/zinc/10/19/19/1295101919.db2.gz YHCRBDVXPICPTJ-GFCCVEGCSA-N -1 0 334.372 3.226 20 30 EGEDRM C#CCOc1ccccc1[N-]S(=O)(=O)c1c[nH]c2cccc(F)c21 ZINC000187085454 1295366991 /nfs/dbraw/zinc/36/69/91/1295366991.db2.gz WMENLSFAGCGAKK-UHFFFAOYSA-N -1 0 344.367 3.120 20 30 EGEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1cnc(F)cc1C)c1ccccc1 ZINC000870310388 1295805136 /nfs/dbraw/zinc/80/51/36/1295805136.db2.gz WULBFXJJRDAWOC-GOEBONIOSA-N -1 0 339.370 3.119 20 30 EGEDRM CCCCCCCCC(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000193959894 1295928205 /nfs/dbraw/zinc/92/82/05/1295928205.db2.gz MFLJUBVUFMULMV-UHFFFAOYSA-N -1 0 342.417 3.150 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1csc(CC(C)C)n1 ZINC000195285798 1296052674 /nfs/dbraw/zinc/05/26/74/1296052674.db2.gz YPDRETNYLZWPKU-CYBMUJFWSA-N -1 0 335.473 3.361 20 30 EGEDRM Oc1ccc(C=Nc2ccc(Br)c(F)c2)c(O)c1O ZINC000255090967 1296497787 /nfs/dbraw/zinc/49/77/87/1296497787.db2.gz RNRRHXXUCVGBOY-UHFFFAOYSA-N -1 0 326.121 3.456 20 30 EGEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N\C2CCC3(CC2)OCCO3)c1[O-] ZINC000255148551 1296504361 /nfs/dbraw/zinc/50/43/61/1296504361.db2.gz ORXZJMBVKORFBM-MFOYZWKCSA-N -1 0 340.763 3.058 20 30 EGEDRM O=C(/C=C\c1cc(F)c([O-])c(F)c1)c1cn(-c2ccccc2)nn1 ZINC000255843780 1296571665 /nfs/dbraw/zinc/57/16/65/1296571665.db2.gz VRVRRYSVOKZRSV-SREVYHEPSA-N -1 0 327.290 3.147 20 30 EGEDRM C=CCC[C@@H](NC(=O)[C@@H](C)Oc1cccc(Cl)c1Cl)C(=O)[O-] ZINC000263001471 1296656468 /nfs/dbraw/zinc/65/64/68/1296656468.db2.gz WJGWBEBMYUHZIP-MWLCHTKSSA-N -1 0 346.210 3.296 20 30 EGEDRM C=CCC[C@H](NC(=O)[C@@H](C)c1ccc(Br)s1)C(=O)[O-] ZINC000263018207 1296657140 /nfs/dbraw/zinc/65/71/40/1296657140.db2.gz XWBRHDFXVMUULZ-IUCAKERBSA-N -1 0 346.246 3.150 20 30 EGEDRM N#CC(=C([O-])c1ccc(COc2ccc(C#N)cc2)o1)c1ccncn1 ZINC000354463955 1297446095 /nfs/dbraw/zinc/44/60/95/1297446095.db2.gz JPNVKXHNNFHTCW-MRXNPFEDSA-N -1 0 344.330 3.010 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])c(/C=N\Cc2ccc(Br)o2)c1 ZINC000588541439 1298081604 /nfs/dbraw/zinc/08/16/04/1298081604.db2.gz MYQLMQZJARMWAA-NSIKDUERSA-N -1 0 325.118 3.275 20 30 EGEDRM CC(=Cc1ccc([N+](=O)[O-])c(Cl)c1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000588611110 1298092117 /nfs/dbraw/zinc/09/21/17/1298092117.db2.gz SPSWCRPZDLSNRC-VMPITWQZSA-N -1 0 330.731 3.072 20 30 EGEDRM CN1c2ccccc2C(=N[N-]c2ncnc3c4ccccc4oc32)C1=O ZINC000725843808 1298372091 /nfs/dbraw/zinc/37/20/91/1298372091.db2.gz FMMLSHAKFGXNGO-UHFFFAOYSA-N -1 0 343.346 3.169 20 30 EGEDRM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1scnc1Cl ZINC000744936761 1298417216 /nfs/dbraw/zinc/41/72/16/1298417216.db2.gz WOYMRVCBGWDSOD-VIFPVBQESA-N -1 0 340.191 3.411 20 30 EGEDRM C=CCOc1ccc(/C=C/C(=O)N[C@@](C)(CCC)C(=O)[O-])cc1OC ZINC000746373300 1298578075 /nfs/dbraw/zinc/57/80/75/1298578075.db2.gz YOBDRMHZMABLBS-RQMBKDMJSA-N -1 0 347.411 3.033 20 30 EGEDRM O=C([O-])CCOc1cccc(C=NNCc2cccc3cccnc32)c1 ZINC000746679841 1298639100 /nfs/dbraw/zinc/63/91/00/1298639100.db2.gz NCUCBECXWHYOIS-UHFFFAOYSA-N -1 0 349.390 3.212 20 30 EGEDRM C[C@@H](Oc1cccc(/C=C\C(=O)c2ccc3c(c2)CCO3)c1)C(=O)[O-] ZINC000746684434 1298642190 /nfs/dbraw/zinc/64/21/90/1298642190.db2.gz PYLMXPZKJLGOCF-SCXUMTSISA-N -1 0 338.359 3.370 20 30 EGEDRM Cc1cc2nc(C)cc(C([O-])=C(C#N)c3nc(C(C)C)cs3)n2n1 ZINC000747193013 1298740493 /nfs/dbraw/zinc/74/04/93/1298740493.db2.gz CKTWNHHLONXLID-GFCCVEGCSA-N -1 0 339.424 3.416 20 30 EGEDRM N#CC(C(=O)Nc1ccccn1)=C([O-])c1cc(-c2ccccc2)ns1 ZINC000747213766 1298742388 /nfs/dbraw/zinc/74/23/88/1298742388.db2.gz VUCYCAQVDNRDSP-CYBMUJFWSA-N -1 0 348.387 3.166 20 30 EGEDRM CCn1nccc1/C=C/C(=O)c1cc(C(=O)[O-])ccc1OC(C)C ZINC000876498397 1298795150 /nfs/dbraw/zinc/79/51/50/1298795150.db2.gz XTXSZWIDXYCYPQ-VOTSOKGWSA-N -1 0 328.368 3.285 20 30 EGEDRM Cc1cccc(NC(=S)NN=Cc2ccc([N+](=O)[O-])c([O-])c2)c1C ZINC000748132296 1298932914 /nfs/dbraw/zinc/93/29/14/1298932914.db2.gz SNFYOWKMBOLBLZ-UHFFFAOYSA-N -1 0 344.396 3.238 20 30 EGEDRM CC(C)(C)OC(=O)NC1(CC(=O)Nc2cc(C#N)ccc2[O-])CCC1 ZINC000748411040 1299004219 /nfs/dbraw/zinc/00/42/19/1299004219.db2.gz ULDNDFUKBRMKMI-UHFFFAOYSA-N -1 0 345.399 3.040 20 30 EGEDRM COc1cc(/C=C2\Oc3ccc(F)cc3C2=O)cc([N+](=O)[O-])c1[O-] ZINC000749744931 1299263452 /nfs/dbraw/zinc/26/34/52/1299263452.db2.gz CACYKCNJUJSZJP-NSIKDUERSA-N -1 0 331.255 3.064 20 30 EGEDRM CC(C)c1ccsc1C(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1 ZINC000750416446 1299396320 /nfs/dbraw/zinc/39/63/20/1299396320.db2.gz KSUHYDHVUWWZOK-UHFFFAOYSA-N -1 0 348.449 3.003 20 30 EGEDRM COc1cccc2c1OCC[C@@H]2/N=C/c1cc([N+](=O)[O-])ccc1[O-] ZINC000750950683 1299486726 /nfs/dbraw/zinc/48/67/26/1299486726.db2.gz ZFBREMYNUQRVNJ-XKYMITNMSA-N -1 0 328.324 3.252 20 30 EGEDRM COc1cccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)n1 ZINC000752173387 1299706493 /nfs/dbraw/zinc/70/64/93/1299706493.db2.gz CBHXKZLZJZNKHL-LBPRGKRZSA-N -1 0 336.376 3.099 20 30 EGEDRM C#CC[C@@H](NC(=O)C[C@@](C)(C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000756845860 1300575499 /nfs/dbraw/zinc/57/54/99/1300575499.db2.gz HEPVZHKADHEGMK-WIYYLYMNSA-N -1 0 335.403 3.300 20 30 EGEDRM CCc1c(C(=O)Nc2cc(C#N)ccc2[O-])cnn1CCC(C)C ZINC000756880061 1300582696 /nfs/dbraw/zinc/58/26/96/1300582696.db2.gz PQOQDBWXWPQSCZ-UHFFFAOYSA-N -1 0 326.400 3.321 20 30 EGEDRM O=C([N-]CCc1ccccc1OC(F)(F)F)C(F)(F)C(F)F ZINC000756989205 1300604842 /nfs/dbraw/zinc/60/48/42/1300604842.db2.gz BYHQFEFJOPALDG-UHFFFAOYSA-N -1 0 333.203 3.144 20 30 EGEDRM CC(=NNC(=S)Nc1ccccc1F)c1ccccc1C(=O)[O-] ZINC000757451816 1300671791 /nfs/dbraw/zinc/67/17/91/1300671791.db2.gz ZYTKZAZRAOJRNC-UHFFFAOYSA-N -1 0 331.372 3.235 20 30 EGEDRM O=C(/C=C/c1ccc(-n2cncn2)c(F)c1)c1cc(F)ccc1[O-] ZINC000757468970 1300673025 /nfs/dbraw/zinc/67/30/25/1300673025.db2.gz WPOVQLFGTZOLQV-GORDUTHDSA-N -1 0 327.290 3.147 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2cc(Cl)cs2)n1 ZINC000758755586 1300952577 /nfs/dbraw/zinc/95/25/77/1300952577.db2.gz JIUPOOCAGHOMKK-VIFPVBQESA-N -1 0 340.813 3.200 20 30 EGEDRM CCCCCCCCCC(=O)[N-]S(=O)(=O)c1ccc(OC)nc1 ZINC000759830918 1301170593 /nfs/dbraw/zinc/17/05/93/1301170593.db2.gz KDNJFGMMVAYSAL-UHFFFAOYSA-N -1 0 342.461 3.036 20 30 EGEDRM Cn1c(C=NNc2ccccc2C(=O)[O-])nc2ccc(Cl)cc21 ZINC000763359985 1301886297 /nfs/dbraw/zinc/88/62/97/1301886297.db2.gz WJCPYOHKIUUKIE-UHFFFAOYSA-N -1 0 328.759 3.371 20 30 EGEDRM CC(C)(C)c1ccc(C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)s1 ZINC000763469611 1301910108 /nfs/dbraw/zinc/91/01/08/1301910108.db2.gz JTAKJCMZPSSUMW-UHFFFAOYSA-N -1 0 348.449 3.036 20 30 EGEDRM C[C@@H](C#N)CSc1ccccc1[N-]C(=S)NCc1ccon1 ZINC000764477506 1302069211 /nfs/dbraw/zinc/06/92/11/1302069211.db2.gz JIHCVXDYIAEZPU-NSHDSACASA-N -1 0 332.454 3.413 20 30 EGEDRM Cc1cc([O-])cc2c1C(=O)/C(=C/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])O2 ZINC000766033313 1302375242 /nfs/dbraw/zinc/37/52/42/1302375242.db2.gz JVEBXSPJRZNUBX-RZNTYIFUSA-N -1 0 342.263 3.133 20 30 EGEDRM C[C@H]1CC(=NNc2cnnc([O-])c2Cl)CN(Cc2ccccc2)C1 ZINC000767362359 1302649977 /nfs/dbraw/zinc/64/99/77/1302649977.db2.gz WEPHTLNHRZRYFQ-LBPRGKRZSA-N -1 0 345.834 3.146 20 30 EGEDRM COc1cc2c(cc1C/N=C/c1cc([N+](=O)[O-])ccc1[O-])O[C@@H](C)C2 ZINC000772801365 1303578393 /nfs/dbraw/zinc/57/83/93/1303578393.db2.gz FTXWPGISYUALSE-LOMXTUQMSA-N -1 0 342.351 3.252 20 30 EGEDRM C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1cc(C)c(C)s1 ZINC000773234004 1303647658 /nfs/dbraw/zinc/64/76/58/1303647658.db2.gz ZTTFOIPEYIWMRA-UHFFFAOYSA-N -1 0 339.413 3.317 20 30 EGEDRM C=C(C)[C@@H](NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-])c1ccc(F)c(F)c1 ZINC000887293266 1303732855 /nfs/dbraw/zinc/73/28/55/1303732855.db2.gz YWNYQLMQJKLWPG-XNMUYTFRSA-N -1 0 347.361 3.221 20 30 EGEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N\CCc2ccc(CO)cc2)c1[O-] ZINC000775629414 1303998260 /nfs/dbraw/zinc/99/82/60/1303998260.db2.gz HECNOLAXPVUHMT-NVMNQCDNSA-N -1 0 334.759 3.108 20 30 EGEDRM CC(C)(C)C1CCC(CC(=O)[N-]S(=O)(=O)CC(C)(C)C#N)CC1 ZINC000776139140 1304101322 /nfs/dbraw/zinc/10/13/22/1304101322.db2.gz VPLMDEFMSHPPJC-UHFFFAOYSA-N -1 0 342.505 3.225 20 30 EGEDRM C=CCS(=O)(=O)[N-]C(=O)c1ccc(-c2cccc(C(C)C)c2)o1 ZINC000776537922 1304169230 /nfs/dbraw/zinc/16/92/30/1304169230.db2.gz QJMJGDXOOBVIHT-UHFFFAOYSA-N -1 0 333.409 3.316 20 30 EGEDRM COC[C@H](C)NN=C(C)c1cc(Br)cc(Cl)c1[O-] ZINC000777893840 1304362783 /nfs/dbraw/zinc/36/27/83/1304362783.db2.gz VXQMTFXJRQQTOZ-ZETCQYMHSA-N -1 0 335.629 3.157 20 30 EGEDRM Cn1nc(Br)cc1/C=C/C(=O)c1cc(Cl)ccc1[O-] ZINC000782347151 1304958652 /nfs/dbraw/zinc/95/86/52/1304958652.db2.gz IVCUEQXOFHENHX-HWKANZROSA-N -1 0 341.592 3.438 20 30 EGEDRM Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)OCCCC(C)(C)C#N ZINC000782549627 1304988339 /nfs/dbraw/zinc/98/83/39/1304988339.db2.gz OZLAXYWTGZBDMP-UHFFFAOYSA-N -1 0 329.400 3.082 20 30 EGEDRM O=C1c2c(F)ccc(F)c2OC/C1=C\c1cc([O-])ccc1[N+](=O)[O-] ZINC000783711960 1305131638 /nfs/dbraw/zinc/13/16/38/1305131638.db2.gz NXIYCRVFYMVUOG-WEVVVXLNSA-N -1 0 333.246 3.237 20 30 EGEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2nccc3ccccc32)c1 ZINC000786539037 1305592950 /nfs/dbraw/zinc/59/29/50/1305592950.db2.gz CUSBCTRCZIYINJ-GOSISDBHSA-N -1 0 343.386 3.182 20 30 EGEDRM C=CCOc1ccc(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)cc1 ZINC000786540126 1305594358 /nfs/dbraw/zinc/59/43/58/1305594358.db2.gz KRTMKJLLVDVZRH-LJQANCHMSA-N -1 0 348.402 3.199 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)C(=O)NCc2ccc(F)cc2F)c(C)s1 ZINC000786553739 1305596158 /nfs/dbraw/zinc/59/61/58/1305596158.db2.gz ISYGWWIOOPPMBX-AWEZNQCLSA-N -1 0 348.374 3.282 20 30 EGEDRM Cc1cc(F)ccc1C([O-])=C(C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC000786573040 1305602359 /nfs/dbraw/zinc/60/23/59/1305602359.db2.gz YWIOVQCZLRRDPO-CQSZACIVSA-N -1 0 346.308 3.051 20 30 EGEDRM C=CCNC(=O)C(C#N)=C([O-])c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC000788350705 1305927084 /nfs/dbraw/zinc/92/70/84/1305927084.db2.gz HGIZKEHOVIFBCU-KXBFYZLASA-N -1 0 348.402 3.451 20 30 EGEDRM COCCN(C)c1ccc(/C=C\C(=O)c2cc(Cl)ccc2[O-])cn1 ZINC000790222367 1306278028 /nfs/dbraw/zinc/27/80/28/1306278028.db2.gz PIYCRWLMURVUJE-UTCJRWHESA-N -1 0 346.814 3.419 20 30 EGEDRM CC(C)N(C)c1ccc(/C=C\C(=O)c2cc([N+](=O)[O-])ccc2[O-])cn1 ZINC000790226045 1306279514 /nfs/dbraw/zinc/27/95/14/1306279514.db2.gz ZZUZBIUXLHFWPD-DAXSKMNVSA-N -1 0 341.367 3.436 20 30 EGEDRM CNc1cc(C([O-])=C(C#N)c2cnc3ccccc3n2)cc(Cl)n1 ZINC000792108969 1309121407 /nfs/dbraw/zinc/12/14/07/1309121407.db2.gz QPLPUYIPDOEPOB-NSHDSACASA-N -1 0 337.770 3.210 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)CCc2cccc(C)c2)n1 ZINC000792742893 1309221222 /nfs/dbraw/zinc/22/12/22/1309221222.db2.gz SBTSQJWSPKCSEJ-OAHLLOKOSA-N -1 0 342.420 3.112 20 30 EGEDRM CC[C@@H](NN=C1C[C@@H](C)c2c1cccc2Br)C(=O)[O-] ZINC000793057886 1309288632 /nfs/dbraw/zinc/28/86/32/1309288632.db2.gz QXSWLVMXJZIIRG-LDYMZIIASA-N -1 0 325.206 3.113 20 30 EGEDRM CC[C@H](NN=C1CCCOc2c(Cl)c(Cl)ccc21)C(=O)[O-] ZINC000793070464 1309290521 /nfs/dbraw/zinc/29/05/21/1309290521.db2.gz BGXMTSDOUVYVET-JTQLQIEISA-N -1 0 331.199 3.323 20 30 EGEDRM COc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000793409354 1309366056 /nfs/dbraw/zinc/36/60/56/1309366056.db2.gz PAXZWXFWVSCEMF-UHFFFAOYSA-N -1 0 340.763 3.160 20 30 EGEDRM COc1cc(/C=C2\COc3cc(F)ccc3C2=O)cc([N+](=O)[O-])c1[O-] ZINC000794727293 1309584242 /nfs/dbraw/zinc/58/42/42/1309584242.db2.gz HKIURSBKCPDQTO-ONNFQVAWSA-N -1 0 345.282 3.107 20 30 EGEDRM COc1cc2c(cc1OC)C(=O)/C(=C/c1cc(C(=O)[O-])cs1)C2 ZINC000794960772 1309633015 /nfs/dbraw/zinc/63/30/15/1309633015.db2.gz HWNMVLUJXNUFNM-ONNFQVAWSA-N -1 0 330.361 3.286 20 30 EGEDRM COCCCON=Cc1ccc(OCc2cc(C)c(C(=O)[O-])o2)cc1 ZINC000795048054 1309657277 /nfs/dbraw/zinc/65/72/77/1309657277.db2.gz FNJSTYQFJIMIPS-UHFFFAOYSA-N -1 0 347.367 3.252 20 30 EGEDRM N#CC(C(=O)Nc1ccc(Cl)cc1Cl)=C([O-])c1ccc(C#N)o1 ZINC000796747981 1310078231 /nfs/dbraw/zinc/07/82/31/1310078231.db2.gz SNUGRWKYHJYGCB-JTQLQIEISA-N -1 0 348.145 3.419 20 30 EGEDRM COc1ccccc1NC(=O)C(C#N)=C([O-])c1nc(C(C)C)oc1C ZINC000796794961 1310089000 /nfs/dbraw/zinc/08/90/00/1310089000.db2.gz ZUQJGNHEFYOCOE-LBPRGKRZSA-N -1 0 341.367 3.076 20 30 EGEDRM Cc1nc2cc(C([O-])=C(C#N)C(=O)NCc3cccc(C)c3)ccc2o1 ZINC000796884854 1310104718 /nfs/dbraw/zinc/10/47/18/1310104718.db2.gz LTHOYXPVULFOPJ-MRXNPFEDSA-N -1 0 347.374 3.084 20 30 EGEDRM CC(C)Cc1cccc([C@H](C)C(=O)C(C#N)=C([O-])c2nccn2C)c1 ZINC000797161582 1310149222 /nfs/dbraw/zinc/14/92/22/1310149222.db2.gz FEAWCGDEAOCJLP-YOEHRIQHSA-N -1 0 337.423 3.314 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)Nc1ccc(COc2ccccc2)cc1 ZINC000797742567 1310240334 /nfs/dbraw/zinc/24/03/34/1310240334.db2.gz BTLQAYZSTHDZFQ-UHFFFAOYSA-N -1 0 340.379 3.370 20 30 EGEDRM N#Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1ccccc1Cl ZINC000798210614 1310317602 /nfs/dbraw/zinc/31/76/02/1310317602.db2.gz BMPMDGFMTQYXPF-UHFFFAOYSA-N -1 0 328.180 3.061 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2cnc(Cl)cc2C#N)c(Cl)c1 ZINC000798210839 1310318299 /nfs/dbraw/zinc/31/82/99/1310318299.db2.gz LZXMDOWHPMTFLY-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM O=C([O-])COc1cccc(/C=C/C(=O)c2ccnn2-c2ccccc2)c1 ZINC000798371319 1310348474 /nfs/dbraw/zinc/34/84/74/1310348474.db2.gz LSYOVNHSMLIVPZ-MDZDMXLPSA-N -1 0 348.358 3.232 20 30 EGEDRM CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000899313189 1316990056 /nfs/dbraw/zinc/99/00/56/1316990056.db2.gz HDQBIHYUTFZAGH-AWEZNQCLSA-N -1 0 346.431 3.366 20 30 EGEDRM C[C@H](Oc1cccc(C(=O)/C=C/c2cnn(C3CCC3)c2)c1)C(=O)[O-] ZINC000899350936 1316998581 /nfs/dbraw/zinc/99/85/81/1316998581.db2.gz USJIRSJHQVKJFO-XEHSLEBBSA-N -1 0 340.379 3.356 20 30 EGEDRM C[C@@H](Oc1cccc(/C=C/C(=O)c2ccnn2C2CCC2)c1)C(=O)[O-] ZINC000899396804 1317017839 /nfs/dbraw/zinc/01/78/39/1317017839.db2.gz IEEHKXHRXGPFCQ-MMQHEFTJSA-N -1 0 340.379 3.356 20 30 EGEDRM COc1ccc(C(=O)[O-])cc1/C=C/C(=O)c1cnn(CC2CCC2)c1 ZINC000899422135 1317029577 /nfs/dbraw/zinc/02/95/77/1317029577.db2.gz NBJSKMAPXBNXLG-FNORWQNLSA-N -1 0 340.379 3.286 20 30 EGEDRM C=C(C)CCOC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000803349628 1317111003 /nfs/dbraw/zinc/11/10/03/1317111003.db2.gz MSDXGPZEGMPSBE-UHFFFAOYSA-N -1 0 336.185 3.414 20 30 EGEDRM CCOc1cc(C#N)cc(-c2ccc([C@@H](C)O)cc2)c1OCC(=O)[O-] ZINC000901065167 1317378840 /nfs/dbraw/zinc/37/88/40/1317378840.db2.gz REJQXFHGZZYQNP-GFCCVEGCSA-N -1 0 341.363 3.141 20 30 EGEDRM C=CCOC[C@H](NCc1cnc(-c2ccc(C)c(C)c2)s1)C(=O)[O-] ZINC000901810084 1317479491 /nfs/dbraw/zinc/47/94/91/1317479491.db2.gz IQYCTEYQUOPOMB-INIZCTEOSA-N -1 0 346.452 3.172 20 30 EGEDRM C=CCCCCCCCCNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000807844234 1317592076 /nfs/dbraw/zinc/59/20/76/1317592076.db2.gz WKFZMGBKNANFCQ-UHFFFAOYSA-N -1 0 344.415 3.083 20 30 EGEDRM Cc1nc(C)c(C(C)N=Nc2nccnc2C2CCC2)cc1C(=O)[O-] ZINC000807992126 1317608862 /nfs/dbraw/zinc/60/88/62/1317608862.db2.gz AKJUTQXCTIKGHZ-UHFFFAOYSA-N -1 0 339.399 3.290 20 30 EGEDRM N#CCc1ccccc1S(=O)(=O)Nc1cc(Cl)c([O-])cc1F ZINC000808114376 1317627120 /nfs/dbraw/zinc/62/71/20/1317627120.db2.gz WEUBSWQPNVGBEI-UHFFFAOYSA-N -1 0 340.763 3.052 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2cc(SC)ccc2Cl)CC1 ZINC000810979750 1318085669 /nfs/dbraw/zinc/08/56/69/1318085669.db2.gz ISCDOCAHAWAJJY-UHFFFAOYSA-N -1 0 345.873 3.230 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2ccc(Oc3ccccc3)o2)CC1 ZINC000810986589 1318088033 /nfs/dbraw/zinc/08/80/33/1318088033.db2.gz GKAHRZMOWLZAFV-UHFFFAOYSA-N -1 0 347.392 3.240 20 30 EGEDRM O=C([O-])c1ccc(N=NC(C[C@H]2CCCO2)c2ccc(F)cc2)nc1 ZINC000811645967 1318218293 /nfs/dbraw/zinc/21/82/93/1318218293.db2.gz GNEAJGRDLFJIRS-OAHLLOKOSA-N -1 0 343.358 3.304 20 30 EGEDRM CC(=NN[C@@H](C)COc1ccccc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000811667518 1318224416 /nfs/dbraw/zinc/22/44/16/1318224416.db2.gz XBZYKQQGHCRVCD-LBPRGKRZSA-N -1 0 329.356 3.082 20 30 EGEDRM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000908212207 1318313123 /nfs/dbraw/zinc/31/31/23/1318313123.db2.gz ONAJPBIRQYUXNM-FZMZJTMJSA-N -1 0 330.211 3.296 20 30 EGEDRM CC(C)OCCON=Cc1ccc(OCc2occc2C(=O)[O-])cc1 ZINC000812240696 1318349614 /nfs/dbraw/zinc/34/96/14/1318349614.db2.gz YDSVZZKAOZILCE-UHFFFAOYSA-N -1 0 347.367 3.332 20 30 EGEDRM CCC(=O)c1ccc([O-])c(NC(=O)Cc2cccc(OCC#N)c2)c1 ZINC000812704451 1318442567 /nfs/dbraw/zinc/44/25/67/1318442567.db2.gz NURIENQKOWZZPG-UHFFFAOYSA-N -1 0 338.363 3.068 20 30 EGEDRM CCC[C@@H]1C[C@H]1C(=O)C(C#N)=C([O-])c1c(C)[nH]c(C)c1C(=O)OCC ZINC000813061487 1318492556 /nfs/dbraw/zinc/49/25/56/1318492556.db2.gz IYHKRDCOGJKZCY-MGPQQGTHSA-N -1 0 344.411 3.136 20 30 EGEDRM C[C@@H](c1ccc(Cl)cc1Cl)S(=O)(=O)[N-]C(=O)CCCC#N ZINC000813081986 1318496871 /nfs/dbraw/zinc/49/68/71/1318496871.db2.gz RFFNBTAIXWPDNY-VIFPVBQESA-N -1 0 349.239 3.194 20 30 EGEDRM N#CC(=C([O-])c1ccn(CC(F)F)n1)c1cc(C(F)(F)F)ccn1 ZINC000813218224 1318515827 /nfs/dbraw/zinc/51/58/27/1318515827.db2.gz MQGXAXSORUVTFB-VIFPVBQESA-N -1 0 344.243 3.052 20 30 EGEDRM C#CCCCC(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC000910040573 1318554451 /nfs/dbraw/zinc/55/44/51/1318554451.db2.gz JWFWWZCPDHNXIE-UHFFFAOYSA-N -1 0 329.274 3.068 20 30 EGEDRM CCCCCCCCCCC(=O)[N-]S(=O)(=O)c1c(C)cnn1C ZINC000813990253 1318660136 /nfs/dbraw/zinc/66/01/36/1318660136.db2.gz GXYPOCKNAXIDFP-UHFFFAOYSA-N -1 0 343.493 3.064 20 30 EGEDRM COCc1ccccc1C=C(C)C=CC([O-])=C1C(=O)C=C(C)OC1=O ZINC000814187746 1318693438 /nfs/dbraw/zinc/69/34/38/1318693438.db2.gz RHZJEWXQWRVMAV-TXJQRWPFSA-N -1 0 340.375 3.008 20 30 EGEDRM C=C(C)CN1C(=O)/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)SC1=S ZINC000814292194 1318717943 /nfs/dbraw/zinc/71/79/43/1318717943.db2.gz PWJNLESXMWIFNL-SDQBBNPISA-N -1 0 336.394 3.078 20 30 EGEDRM Cc1ccc(NC(=S)NN=C2CC[C@@H](C(=O)[O-])C[C@H]2C)c(C)c1 ZINC000814707075 1318801616 /nfs/dbraw/zinc/80/16/16/1318801616.db2.gz IWOVURLFUWYRTP-CHWSQXEVSA-N -1 0 333.457 3.467 20 30 EGEDRM Cc1ccc(C)c(NC(=S)NN=C2CC[C@H](C(=O)[O-])[C@H](C)C2)c1 ZINC000814707323 1318801653 /nfs/dbraw/zinc/80/16/53/1318801653.db2.gz NYFOTJURPPKMII-OCCSQVGLSA-N -1 0 333.457 3.467 20 30 EGEDRM Cc1cccc(C)c1NC(=S)NN=C1CC[C@@H](C(=O)[O-])C[C@H]1C ZINC000814706961 1318801815 /nfs/dbraw/zinc/80/18/15/1318801815.db2.gz HNYYDBFDKOQBLP-CHWSQXEVSA-N -1 0 333.457 3.467 20 30 EGEDRM Cc1cccc(C)c1NC(=S)NN=C1CC[C@@H](C(=O)[O-])C[C@@H]1C ZINC000814706965 1318802447 /nfs/dbraw/zinc/80/24/47/1318802447.db2.gz HNYYDBFDKOQBLP-QWHCGFSZSA-N -1 0 333.457 3.467 20 30 EGEDRM O=C([O-])c1cccc(C=NNC(=S)NCc2ccccc2)c1Cl ZINC000814714907 1318802944 /nfs/dbraw/zinc/80/29/44/1318802944.db2.gz UWYBOUWCYNXJLP-UHFFFAOYSA-N -1 0 347.827 3.036 20 30 EGEDRM O=C([O-])C1(c2ccccc2)CC(=NNC(=S)Nc2ccccc2)C1 ZINC000814713439 1318803611 /nfs/dbraw/zinc/80/36/11/1318803611.db2.gz ALICHPIPWXFIGN-UHFFFAOYSA-N -1 0 339.420 3.145 20 30 EGEDRM CC(CC1(C(=O)[O-])CCC1)=NNC(=S)N[C@H]1CCCC[C@H]1C ZINC000814731206 1318806650 /nfs/dbraw/zinc/80/66/50/1318806650.db2.gz YFCMHWDCEBJAOP-YPMHNXCESA-N -1 0 325.478 3.050 20 30 EGEDRM CC(=NOCC(C)C)c1cc(Br)ccc1OCC(=O)[O-] ZINC000814883870 1318838145 /nfs/dbraw/zinc/83/81/45/1318838145.db2.gz FHMDEBKCXAFSCT-UHFFFAOYSA-N -1 0 344.205 3.309 20 30 EGEDRM CC(CCc1ccc(OCC(=O)[O-])cc1)N=Nc1ccnc(F)c1 ZINC000814900956 1318842479 /nfs/dbraw/zinc/84/24/79/1318842479.db2.gz PPYVBVMMEIPNST-UHFFFAOYSA-N -1 0 331.347 3.105 20 30 EGEDRM CC(N=Nc1cc(Cl)ccn1)c1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000814898917 1318843087 /nfs/dbraw/zinc/84/30/87/1318843087.db2.gz XWINCESHPYKRPP-LLVKDONJSA-N -1 0 333.775 3.423 20 30 EGEDRM CC(CCc1ccc(O[C@@H](C)C(=O)[O-])cc1)N=Nc1cccc(F)n1 ZINC000814927981 1318852270 /nfs/dbraw/zinc/85/22/70/1318852270.db2.gz QAQZYHAYKVNFRP-ZDUSSCGKSA-N -1 0 345.374 3.493 20 30 EGEDRM CCOc1ccc(NN=Cc2ccc(O[C@@H](C)C(=O)[O-])cc2)cc1 ZINC000814984952 1318863430 /nfs/dbraw/zinc/86/34/30/1318863430.db2.gz NBLRUMLHYNRMCI-ZDUSSCGKSA-N -1 0 328.368 3.383 20 30 EGEDRM CCOc1ccc(NN=Cc2cc(OC)c([O-])c([N+](=O)[O-])c2)cc1 ZINC000814985158 1318864214 /nfs/dbraw/zinc/86/42/14/1318864214.db2.gz VDZQJFJAELMBQP-UHFFFAOYSA-N -1 0 331.328 3.154 20 30 EGEDRM Cc1ccc2snc(C([O-])=C(C#N)C(=O)NCc3ccccc3)c2c1 ZINC000815906462 1319071954 /nfs/dbraw/zinc/07/19/54/1319071954.db2.gz AFYMWSLUTJALRM-OAHLLOKOSA-N -1 0 349.415 3.244 20 30 EGEDRM CCc1nc(C)c(C([O-])=C(C#N)C(=O)N[C@H](CC)c2ccccc2)o1 ZINC000816039536 1319092665 /nfs/dbraw/zinc/09/26/65/1319092665.db2.gz YPRLSFQHNHTGHO-LSDHHAIUSA-N -1 0 339.395 3.135 20 30 EGEDRM Cc1ccc(NC(=S)NN=Cc2ccc([O-])c([N+](=O)[O-])c2)cc1C ZINC000915919472 1319560108 /nfs/dbraw/zinc/56/01/08/1319560108.db2.gz YSIJSHFSMXBFAZ-UHFFFAOYSA-N -1 0 344.396 3.238 20 30 EGEDRM O=[N+]([O-])c1cc(C=NNc2ccc(C(F)(F)F)cn2)ccc1[O-] ZINC000915918196 1319560778 /nfs/dbraw/zinc/56/07/78/1319560778.db2.gz CMESKJFMCVKHIZ-UHFFFAOYSA-N -1 0 326.234 3.160 20 30 EGEDRM CC(=NNc1nnc(C)c(=O)[n-]1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000916282754 1319631259 /nfs/dbraw/zinc/63/12/59/1319631259.db2.gz NZUOIVQRKRHUBI-UHFFFAOYSA-N -1 0 331.379 3.293 20 30 EGEDRM Cc1nnc(NN=Cc2ccc(N(C)c3ccccc3)cc2)[n-]c1=O ZINC000916282838 1319631513 /nfs/dbraw/zinc/63/15/13/1319631513.db2.gz RZXHHEUXYHWDTQ-UHFFFAOYSA-N -1 0 334.383 3.100 20 30 EGEDRM CCCCCCOc1ccc(C=Nn2c(=O)c(C)n[n-]c2=S)cc1 ZINC000916303970 1319636644 /nfs/dbraw/zinc/63/66/44/1319636644.db2.gz WUIISJRAPTUASX-UHFFFAOYSA-N -1 0 346.456 3.077 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(C)c(-n2cccc2)c1 ZINC000916877259 1319719353 /nfs/dbraw/zinc/71/93/53/1319719353.db2.gz PMWPGALBJMNJQQ-KRWDZBQOSA-N -1 0 337.423 3.415 20 30 EGEDRM O=C([O-])Cc1ccc(C(=O)/C=C/c2cccc3c2OCCCO3)cc1 ZINC000917146249 1319763310 /nfs/dbraw/zinc/76/33/10/1319763310.db2.gz WXVSLDBPIKPRPN-MDZDMXLPSA-N -1 0 338.359 3.371 20 30 EGEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)C1CCCCC1 ZINC000917507464 1319823517 /nfs/dbraw/zinc/82/35/17/1319823517.db2.gz XOFXFFCLEDDBFN-AWEZNQCLSA-N -1 0 344.411 3.280 20 30 EGEDRM C=C(Cl)COc1ccc(C(C)=NNc2[n-]cnc3ncnc2-3)cc1 ZINC000917556235 1319836307 /nfs/dbraw/zinc/83/63/07/1319836307.db2.gz XUYHESXWJWRFPP-UHFFFAOYSA-N -1 0 342.790 3.320 20 30 EGEDRM CC1(C#N)CCN(C(=O)c2ccc(-c3ccc(C=O)o3)cc2[O-])CC1 ZINC000821792501 1320032198 /nfs/dbraw/zinc/03/21/98/1320032198.db2.gz LMEMOFUKUFGPPE-UHFFFAOYSA-N -1 0 338.363 3.231 20 30 EGEDRM CCCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)Nc1cc(C#N)ccc1[O-] ZINC000826604634 1320390213 /nfs/dbraw/zinc/39/02/13/1320390213.db2.gz QPEQUWIQEQQQHI-GFCCVEGCSA-N -1 0 347.415 3.238 20 30 EGEDRM CCCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)Nc1cc(C#N)ccc1[O-] ZINC000826604636 1320390515 /nfs/dbraw/zinc/39/05/15/1320390515.db2.gz QPEQUWIQEQQQHI-LBPRGKRZSA-N -1 0 347.415 3.238 20 30 EGEDRM C=CC(C)(C)CNC(=O)c1cc2ccccc2cc1[N-]S(C)(=O)=O ZINC000836828456 1320539209 /nfs/dbraw/zinc/53/92/09/1320539209.db2.gz KTAOQQRLQONGKF-UHFFFAOYSA-N -1 0 346.452 3.153 20 30 EGEDRM C=CCC1(CNC(=O)CSc2n[n-]c(=S)s2)CCCC1 ZINC000836990516 1320563229 /nfs/dbraw/zinc/56/32/29/1320563229.db2.gz IDPWSYCKVHPNDB-UHFFFAOYSA-N -1 0 329.516 3.172 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@@H]2CC[C@@H](C)[C@H](C)C2)n1 ZINC000837824202 1320689226 /nfs/dbraw/zinc/68/92/26/1320689226.db2.gz IXMJZANAPKTNAJ-HBJVGIJOSA-N -1 0 334.441 3.243 20 30 EGEDRM C=CCC1(C(=O)OCC([O-])=C(C#N)c2nc(C)cs2)CCCC1 ZINC000838279067 1320753301 /nfs/dbraw/zinc/75/33/01/1320753301.db2.gz GDENQFWZCVQRBR-CYBMUJFWSA-N -1 0 332.425 3.308 20 30 EGEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1csc(C2CCCCC2)n1 ZINC000842285336 1321367350 /nfs/dbraw/zinc/36/73/50/1321367350.db2.gz PIJOCJQIXZURLW-ZDUSSCGKSA-N -1 0 331.441 3.136 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc2c(c1)CC(C)(C)O2 ZINC000842684119 1321418154 /nfs/dbraw/zinc/41/81/54/1321418154.db2.gz XLFRJCLEUACPRP-OAHLLOKOSA-N -1 0 328.412 3.029 20 30 EGEDRM CON=Cc1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cc1 ZINC000842939626 1321451056 /nfs/dbraw/zinc/45/10/56/1321451056.db2.gz SIGFURVGEFHVAN-CQSZACIVSA-N -1 0 325.393 3.491 20 30 EGEDRM C=CCNC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1[O-] ZINC000844414238 1321603172 /nfs/dbraw/zinc/60/31/72/1321603172.db2.gz RMLYMUJYUCIYGZ-UHFFFAOYSA-N -1 0 330.771 3.214 20 30 EGEDRM CCC(CC)(C(=O)Nc1cc(C#N)ccc1[O-])C(=O)OC(C)(C)C ZINC000845886013 1321751509 /nfs/dbraw/zinc/75/15/09/1321751509.db2.gz AMKVNTOCZYDBLD-UHFFFAOYSA-N -1 0 332.400 3.350 20 30 EGEDRM C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cccc(CSC2CCCC2)c1 ZINC000846154963 1321772659 /nfs/dbraw/zinc/77/26/59/1321772659.db2.gz RGQNOOCQGUEKEM-CYBMUJFWSA-N -1 0 348.468 3.423 20 30 EGEDRM C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccc(SC(C)(C)C)c(F)c1 ZINC000846157290 1321772701 /nfs/dbraw/zinc/77/27/01/1321772701.db2.gz TXZQLDHQLOXLEK-JTQLQIEISA-N -1 0 340.420 3.277 20 30 EGEDRM C=C[C@@H](C)O[N-]C(=O)[C@H](C)Oc1ccc(Cl)cc1Br ZINC000846543001 1321792524 /nfs/dbraw/zinc/79/25/24/1321792524.db2.gz FGHXUIYMVWMOQN-BDAKNGLRSA-N -1 0 348.624 3.492 20 30 EGEDRM C=C[C@H](C)O[N-]C(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1C ZINC000846553417 1321793078 /nfs/dbraw/zinc/79/30/78/1321793078.db2.gz AOTSAUIBRMBPJL-DZGCQCFKSA-N -1 0 334.416 3.183 20 30 EGEDRM C=C[C@H](C)O[N-]C(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccc(C)cc1 ZINC000846552408 1321793361 /nfs/dbraw/zinc/79/33/61/1321793361.db2.gz GYECSXVBBVSMON-ZFWWWQNUSA-N -1 0 334.416 3.183 20 30 EGEDRM CC(C)OCCCNC(=O)C(C#N)=C([O-])c1cccc(C(C)C)c1 ZINC000850753139 1322284268 /nfs/dbraw/zinc/28/42/68/1322284268.db2.gz YKDVLGHNUBVSDC-QGZVFWFLSA-N -1 0 330.428 3.064 20 30 EGEDRM CCCCCCCC[C@H](C)C(=O)[N-]S(=O)(=O)CC1(C#N)CC1 ZINC000850940674 1322313806 /nfs/dbraw/zinc/31/38/06/1322313806.db2.gz ODVSWPXGIIHHGY-AWEZNQCLSA-N -1 0 328.478 3.123 20 30 EGEDRM C=CCCCC(=O)[N-]S(=O)(=O)c1ccc(OC2CCCC2)cc1 ZINC000851471675 1323049205 /nfs/dbraw/zinc/04/92/05/1323049205.db2.gz WZEYAGWAOODPGC-UHFFFAOYSA-N -1 0 337.441 3.169 20 30 EGEDRM C#CCO[N-]C(=O)C1(c2ccc(Br)cc2)CCCCC1 ZINC000855603863 1325402235 /nfs/dbraw/zinc/40/22/35/1325402235.db2.gz UDJAPZDTNAOMAN-UHFFFAOYSA-N -1 0 336.229 3.332 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)Nc2ccc(C(C)C)nc2)cc1C#N ZINC000928621809 1328379088 /nfs/dbraw/zinc/37/90/88/1328379088.db2.gz JMMCFXGMOPEKRZ-UHFFFAOYSA-N -1 0 328.397 3.151 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000929024114 1328489580 /nfs/dbraw/zinc/48/95/80/1328489580.db2.gz HGYLHTUPJCXARP-GFCCVEGCSA-N -1 0 340.832 3.159 20 30 EGEDRM CC(N=Nc1nc2ccccc2[nH]c1=S)C(C)(C)n1cncn1 ZINC000863124892 1329529946 /nfs/dbraw/zinc/52/99/46/1329529946.db2.gz HFUCSUCQWORDDJ-UHFFFAOYSA-N -1 0 327.417 3.107 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)[C@@H](CC)c1ccc(Br)cc1 ZINC000864136229 1329601014 /nfs/dbraw/zinc/60/10/14/1329601014.db2.gz UPAQMEUFEZXYQD-ZDUSSCGKSA-N -1 0 340.217 3.042 20 30 EGEDRM C=CC[C@@H](NC(=O)c1[nH]c2ccc(Cl)cc2c1Cl)C(=O)[O-] ZINC001116921918 1371000974 /nfs/dbraw/zinc/00/09/74/1371000974.db2.gz JPVHSVRAJBHZDM-SNVBAGLBSA-N -1 0 327.167 3.234 20 30 EGEDRM N#Cc1oc2ccccc2c1[N-]S(=O)(=O)c1cccnc1Cl ZINC001184835782 1387547613 /nfs/dbraw/zinc/54/76/13/1387547613.db2.gz FGDCJMIHLVEMQU-UHFFFAOYSA-N -1 0 333.756 3.154 20 30 EGEDRM Cc1ccc(O)c2c1[C@@H](C)CC2=NNS(=O)(=O)Cc1ccccc1 ZINC001324231085 1387562155 /nfs/dbraw/zinc/56/21/55/1387562155.db2.gz NLFIWWYECHXTRO-ZDUSSCGKSA-N -1 0 344.436 3.032 20 30 EGEDRM CCc1cc(C#N)c([N-]S(=O)(=O)c2ccc(CC#N)cc2)s1 ZINC001324628774 1387706715 /nfs/dbraw/zinc/70/67/15/1387706715.db2.gz AFGTXROSORHEKL-UHFFFAOYSA-N -1 0 331.422 3.049 20 30 EGEDRM Cc1cc(Cl)nc([N-]S(=O)(=O)c2cccc(F)c2C)c1C#N ZINC001185804721 1387805312 /nfs/dbraw/zinc/80/53/12/1387805312.db2.gz VOIGQCBFEMFQDE-UHFFFAOYSA-N -1 0 339.779 3.163 20 30 EGEDRM N#Cc1cc(F)c(F)cc1[N-]S(=O)(=O)Cc1cccc(F)c1F ZINC001189455278 1367027222 /nfs/dbraw/zinc/02/72/22/1367027222.db2.gz DUJXAZAJSASXIO-UHFFFAOYSA-N -1 0 344.289 3.057 20 30 EGEDRM COc1cc([O-])c(C(=O)Nc2c(C#N)oc3ccccc32)c(OC)c1 ZINC001190110133 1367175745 /nfs/dbraw/zinc/17/57/45/1367175745.db2.gz IIRLOXFCGTUZFF-UHFFFAOYSA-N -1 0 338.319 3.280 20 30 EGEDRM C#CCOc1ccc(NS(=O)(=O)c2ccc(C3CC3)cc2)cc1 ZINC001190499440 1367277123 /nfs/dbraw/zinc/27/71/23/1367277123.db2.gz GCFYQSZUFXYCNZ-UHFFFAOYSA-N -1 0 327.405 3.377 20 30 EGEDRM COc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2F)cc1Cl ZINC001190648066 1367315745 /nfs/dbraw/zinc/31/57/45/1367315745.db2.gz RQRZIMMMTBWDFE-UHFFFAOYSA-N -1 0 340.763 3.160 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cccc3cncc(F)c32)c1 ZINC001190655777 1367318168 /nfs/dbraw/zinc/31/81/68/1367318168.db2.gz OXHSPNMOYBBZRI-UHFFFAOYSA-N -1 0 345.330 3.185 20 30 EGEDRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccc(C#N)cc2C#N)c1 ZINC001191196268 1367443044 /nfs/dbraw/zinc/44/30/44/1367443044.db2.gz NJDPFQNRBXFSDX-UHFFFAOYSA-N -1 0 348.387 3.087 20 30 EGEDRM C=CCN1C(=O)CC[C@@]12CCCN(C(=O)c1cccc([S-])c1)CC2 ZINC001186141461 1387878576 /nfs/dbraw/zinc/87/85/76/1387878576.db2.gz VQPNBCFRVDWXIN-LJQANCHMSA-N -1 0 344.480 3.149 20 30 EGEDRM CSc1cc(C)nc(SC)c1[N-]C(=O)c1ccnc(C#N)c1 ZINC001191538271 1367524518 /nfs/dbraw/zinc/52/45/18/1367524518.db2.gz ZBXDKGRNBUGOED-UHFFFAOYSA-N -1 0 330.438 3.353 20 30 EGEDRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(F)c(C#N)c1 ZINC001191821758 1367602088 /nfs/dbraw/zinc/60/20/88/1367602088.db2.gz UMBUPOQKTUCJNM-UHFFFAOYSA-N -1 0 334.372 3.205 20 30 EGEDRM N#Cc1cc(C(=O)NCc2ccc(Oc3ccccn3)cc2)ccc1[O-] ZINC001193519131 1368052141 /nfs/dbraw/zinc/05/21/41/1368052141.db2.gz RQWYEKOIWIOMTL-UHFFFAOYSA-N -1 0 345.358 3.381 20 30 EGEDRM Cc1cc(NC(=O)c2cccc(C#N)c2[O-])n(-c2ccccc2F)n1 ZINC001193642138 1368081295 /nfs/dbraw/zinc/08/12/95/1368081295.db2.gz BEJKDIBDOPIRRQ-UHFFFAOYSA-N -1 0 336.326 3.149 20 30 EGEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2ccc(SC)cc2)c1 ZINC001193679493 1368092818 /nfs/dbraw/zinc/09/28/18/1368092818.db2.gz DLABNVKLTWEDTH-UHFFFAOYSA-N -1 0 334.422 3.090 20 30 EGEDRM CCCCCCCOC(=O)[N-]c1ncc(Br)[nH]c1=O ZINC001194016380 1368167419 /nfs/dbraw/zinc/16/74/19/1368167419.db2.gz YGZXFKHCLHLLHQ-UHFFFAOYSA-N -1 0 332.198 3.051 20 30 EGEDRM COc1ccc([N-]S(=O)(=O)c2cccc(C(C)C)c2)c(C#N)c1 ZINC001195153698 1368389468 /nfs/dbraw/zinc/38/94/68/1368389468.db2.gz NJYCJXRGCYHTIY-UHFFFAOYSA-N -1 0 330.409 3.491 20 30 EGEDRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1cc(Cl)cnc1C#N ZINC001195283876 1368413714 /nfs/dbraw/zinc/41/37/14/1368413714.db2.gz HLYDCTFYMAYNFJ-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM N#Cc1ccc(C(=O)N=c2cc[nH]cc2Oc2ccccc2)c([O-])c1 ZINC001195733353 1368479692 /nfs/dbraw/zinc/47/96/92/1368479692.db2.gz LGNHNBLREJQJOX-UHFFFAOYSA-N -1 0 331.331 3.125 20 30 EGEDRM CC1(C)Cc2c(NC(=O)c3ccc(C#N)cc3[O-])cccc2NC1=O ZINC001195759178 1368483692 /nfs/dbraw/zinc/48/36/92/1368483692.db2.gz YLAYZBPLMHXBKS-UHFFFAOYSA-N -1 0 335.363 3.037 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2c(F)c(F)ccc2C#N)c(F)c1 ZINC001196387707 1368604260 /nfs/dbraw/zinc/60/42/60/1368604260.db2.gz UXLDLEGVSABORJ-UHFFFAOYSA-N -1 0 326.299 3.085 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2c(F)ccc(F)c2C#N)c(F)c1 ZINC001196386944 1368604480 /nfs/dbraw/zinc/60/44/80/1368604480.db2.gz GPFMIYFEMALDMG-UHFFFAOYSA-N -1 0 326.299 3.085 20 30 EGEDRM Cc1cnc(Cl)cc1[N-]S(=O)(=O)c1cc(Cl)ccc1C#N ZINC001196650597 1368656216 /nfs/dbraw/zinc/65/62/16/1368656216.db2.gz RJBPKIQMKPWRLU-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM COCc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)cc1 ZINC001196680572 1368660945 /nfs/dbraw/zinc/66/09/45/1368660945.db2.gz RMHAFFDOQRDNES-UHFFFAOYSA-N -1 0 336.800 3.159 20 30 EGEDRM COc1ccc(NC(=S)Nc2ccc(C(=O)[O-])cc2)cc1C#N ZINC001197113895 1368747290 /nfs/dbraw/zinc/74/72/90/1368747290.db2.gz ZABJFNCHOYIRRY-UHFFFAOYSA-N -1 0 327.365 3.074 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)c(C#N)c1 ZINC001197687852 1368873771 /nfs/dbraw/zinc/87/37/71/1368873771.db2.gz JBZWSEMMZPTYFI-UHFFFAOYSA-N -1 0 349.774 3.164 20 30 EGEDRM Cc1ccnc(S(=O)(=O)[N-]c2ccc(C#N)cc2C(F)(F)F)c1 ZINC001197999627 1368939584 /nfs/dbraw/zinc/93/95/84/1368939584.db2.gz QBINOHNSTLYHJR-UHFFFAOYSA-N -1 0 341.314 3.081 20 30 EGEDRM CC(C)(C#N)c1cccc([N-]S(=O)(=O)c2cccc(Cl)n2)c1 ZINC001198234935 1368986075 /nfs/dbraw/zinc/98/60/75/1368986075.db2.gz UAOMNLICNFVYOT-UHFFFAOYSA-N -1 0 335.816 3.337 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2C#N)cn1 ZINC001198321562 1369008026 /nfs/dbraw/zinc/00/80/26/1369008026.db2.gz VSFWJVCQPIULIX-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM N#Cc1cc(F)c(F)cc1[N-]S(=O)(=O)c1ccc2occc2c1 ZINC001198868667 1369134665 /nfs/dbraw/zinc/13/46/65/1369134665.db2.gz LBGHXHLGPGEEIN-UHFFFAOYSA-N -1 0 334.303 3.383 20 30 EGEDRM C#Cc1ccc([N-]S(=O)(=O)c2sc(Cl)nc2C)cc1F ZINC001201763933 1369619517 /nfs/dbraw/zinc/61/95/17/1369619517.db2.gz LTAHBHAQUPCARD-UHFFFAOYSA-N -1 0 330.793 3.026 20 30 EGEDRM Cc1nc(Cl)sc1S(=O)(=O)[N-]c1cc(F)c(F)cc1C#N ZINC001201764692 1369619703 /nfs/dbraw/zinc/61/97/03/1369619703.db2.gz HYDWFZLCPBFNMT-UHFFFAOYSA-N -1 0 349.771 3.056 20 30 EGEDRM CCCCCCCCCCS(=O)(=O)[N-]c1ncccc1C(N)=O ZINC001201834843 1369630713 /nfs/dbraw/zinc/63/07/13/1369630713.db2.gz XRZKZOOXRUVGSV-UHFFFAOYSA-N -1 0 341.477 3.063 20 30 EGEDRM O=C(CCc1nc(-c2ccc(F)c3c2C(=O)CC3)no1)C1=CC=C[CH]1 ZINC001204656014 1370537931 /nfs/dbraw/zinc/53/79/31/1370537931.db2.gz FGJZPNBJMFVHKJ-UHFFFAOYSA-N -1 0 337.330 3.207 20 30 EGEDRM Cc1c(S(=O)(=O)[N-]c2ccc(C#N)cn2)sc2cccc(F)c12 ZINC001116249742 1370868180 /nfs/dbraw/zinc/86/81/80/1370868180.db2.gz GUSVLXLYOFNZBE-UHFFFAOYSA-N -1 0 347.396 3.416 20 30 EGEDRM C/C(=N\C#N)N(C)Cc1ccc(-c2cc(F)c(F)c(C(=O)[O-])c2)nc1 ZINC001205996280 1370932975 /nfs/dbraw/zinc/93/29/75/1370932975.db2.gz CZSHPMJFFRRMSL-LSHDLFTRSA-N -1 0 344.321 3.056 20 30 EGEDRM CCn1cc(-c2csc(C(=O)[O-])c2)c2sc(C#N)cc2c1=O ZINC001206303461 1371015750 /nfs/dbraw/zinc/01/57/50/1371015750.db2.gz LKYHMUAFAOUNBO-UHFFFAOYSA-N -1 0 330.390 3.381 20 30 EGEDRM C=CCOc1cccc([N-]S(=O)(=O)c2ccsc2[N+](=O)[O-])c1 ZINC001326100643 1388113390 /nfs/dbraw/zinc/11/33/90/1388113390.db2.gz GTTVHWMYGURQAC-UHFFFAOYSA-N -1 0 340.382 3.022 20 30 EGEDRM O=C([O-])c1cccc(COc2cccc(C=NNC34CC(C3)C4)c2)c1 ZINC001118236951 1371151025 /nfs/dbraw/zinc/15/10/25/1371151025.db2.gz LCWVMONTHVMHQE-UHFFFAOYSA-N -1 0 336.391 3.440 20 30 EGEDRM COc1ccc(Nc2cc(OC)c(OC)cc2C#N)cc1C(=O)[O-] ZINC001209903575 1372228730 /nfs/dbraw/zinc/22/87/30/1372228730.db2.gz ZMEGUMKVHUHRHV-UHFFFAOYSA-N -1 0 328.324 3.026 20 30 EGEDRM N#Cc1ncccc1Nc1ccc2ccccc2c1S(=O)(=O)[O-] ZINC001210147163 1372281530 /nfs/dbraw/zinc/28/15/30/1372281530.db2.gz RJOUQUXDAYTOLH-UHFFFAOYSA-N -1 0 325.349 3.097 20 30 EGEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1csc(-c2ccco2)n1 ZINC001122624804 1372286634 /nfs/dbraw/zinc/28/66/34/1372286634.db2.gz IOHTUVOSDOFDJT-LBPRGKRZSA-N -1 0 343.408 3.174 20 30 EGEDRM C=C(C)Cn1c(-c2c[n-]n(CC)c2=O)nnc1N(CC)[C@@H](C)CC ZINC001122630916 1372287220 /nfs/dbraw/zinc/28/72/20/1372287220.db2.gz HUIKYURZFMOFJN-ZDUSSCGKSA-N -1 0 332.452 3.068 20 30 EGEDRM N#Cc1ccccc1Nc1ccc2c(O)cc(S(=O)(=O)[O-])cc2c1 ZINC001210740694 1372417232 /nfs/dbraw/zinc/41/72/32/1372417232.db2.gz NZVUYVUDJSYCLT-UHFFFAOYSA-N -1 0 340.360 3.407 20 30 EGEDRM C[C@H]1CC(=O)C=C(Nc2ccc3ccc(S(=O)(=O)[O-])cc3c2)C1 ZINC001210772309 1372424151 /nfs/dbraw/zinc/42/41/51/1372424151.db2.gz ADSPBQRRIJCKAQ-LLVKDONJSA-N -1 0 331.393 3.381 20 30 EGEDRM COc1c(Nc2cc(Br)cnc2C#N)cccc1C(=O)[O-] ZINC001211034025 1372474246 /nfs/dbraw/zinc/47/42/46/1372474246.db2.gz RGTQINLXQNOFLP-UHFFFAOYSA-N -1 0 348.156 3.166 20 30 EGEDRM COc1ccc(Nc2ccc(NC(=O)CCC(=O)[O-])cc2)c(C#N)c1 ZINC001213187172 1372855569 /nfs/dbraw/zinc/85/55/69/1372855569.db2.gz BHMJMKOJGMWVFR-UHFFFAOYSA-N -1 0 339.351 3.114 20 30 EGEDRM N#Cc1ccc(F)c(F)c1Nc1ccc(NC(=O)CCC(=O)[O-])cc1 ZINC001213196639 1372857756 /nfs/dbraw/zinc/85/77/56/1372857756.db2.gz OCSNWVQOZKQUKH-UHFFFAOYSA-N -1 0 345.305 3.383 20 30 EGEDRM N#Cc1cccc(Nc2cnc(F)c(C(=O)[O-])c2)c1Br ZINC001215115812 1373171972 /nfs/dbraw/zinc/17/19/72/1373171972.db2.gz JSKBHXQPYRLAPZ-UHFFFAOYSA-N -1 0 336.120 3.297 20 30 EGEDRM CN1CCc2c(C#N)c(Nc3c(F)cc(C(=O)[O-])cc3F)sc2C1 ZINC001215608995 1373216676 /nfs/dbraw/zinc/21/66/76/1373216676.db2.gz NGFANAUCLVASQP-UHFFFAOYSA-N -1 0 349.362 3.328 20 30 EGEDRM COc1cc(C#N)c(Nc2cc(CC(=O)[O-])ccc2F)cc1OC ZINC001216683985 1373331895 /nfs/dbraw/zinc/33/18/95/1373331895.db2.gz XXWCHGWDNZMICL-UHFFFAOYSA-N -1 0 330.315 3.085 20 30 EGEDRM N#Cc1ccc(-c2nc(-c3cncc(C(F)(F)F)c3)no2)c([O-])c1 ZINC001217039740 1373381838 /nfs/dbraw/zinc/38/18/38/1373381838.db2.gz YNLHEJRXQBYXAC-UHFFFAOYSA-N -1 0 332.241 3.395 20 30 EGEDRM N#Cc1ccc(-c2nc(-c3cnccc3C(F)(F)F)no2)c([O-])c1 ZINC001217038836 1373382015 /nfs/dbraw/zinc/38/20/15/1373382015.db2.gz IKLQJRRPQPZOES-UHFFFAOYSA-N -1 0 332.241 3.395 20 30 EGEDRM COc1ccc2[n-]cc(-c3nc(-c4cccc(C#N)c4)no3)c(=O)c2c1 ZINC001217417810 1373440550 /nfs/dbraw/zinc/44/05/50/1373440550.db2.gz MYDDGWHDDQAXHH-UHFFFAOYSA-N -1 0 344.330 3.125 20 30 EGEDRM C#C[C@@H](COc1cccc(Cl)c1)Oc1cccc([O-])c1[N+](=O)[O-] ZINC001225624432 1375134374 /nfs/dbraw/zinc/13/43/74/1375134374.db2.gz BZFYINUICUTDLC-LBPRGKRZSA-N -1 0 333.727 3.413 20 30 EGEDRM CCCCCCCCCCCC[C@@H](C)Oc1c([O-])c(=O)c(=O)c1=O ZINC001225830347 1375161755 /nfs/dbraw/zinc/16/17/55/1375161755.db2.gz HZCGWMBKHBLXQD-CQSZACIVSA-N -1 0 338.444 3.427 20 30 EGEDRM COc1ccc2c(c1)nc(=O)[n-]c2O[C@@H](C#N)c1cccc(F)c1 ZINC001229140216 1375773176 /nfs/dbraw/zinc/77/31/76/1375773176.db2.gz XWNYYAZWWDKQDW-HNNXBMFYSA-N -1 0 325.299 3.127 20 30 EGEDRM C[C@@H](C#N)c1ccc(NC(=O)c2cc(=O)n(-c3ccccc3)[n-]2)cc1 ZINC001147883554 1379096950 /nfs/dbraw/zinc/09/69/50/1379096950.db2.gz FWQJXRDVILXUQK-ZDUSSCGKSA-N -1 0 332.363 3.045 20 30 EGEDRM C=CC[C@@H](NC(=O)C1(c2ccc(C(F)(F)F)cc2)CCC1)C(=O)[O-] ZINC001327720999 1388590277 /nfs/dbraw/zinc/59/02/77/1388590277.db2.gz IIKJSBAVUGILRO-CYBMUJFWSA-N -1 0 341.329 3.273 20 30 EGEDRM C#C[C@@H](CCC)NC(=O)N(CCC)Cc1nc(=O)c2sccc2[n-]1 ZINC001327732552 1388591571 /nfs/dbraw/zinc/59/15/71/1388591571.db2.gz AVHMXCCRSJSENY-LBPRGKRZSA-N -1 0 346.456 3.120 20 30 EGEDRM N#Cc1c(F)ccc(NC(=O)c2cc(=O)c3cccc(O)c3[n-]2)c1F ZINC001152679141 1379968853 /nfs/dbraw/zinc/96/88/53/1379968853.db2.gz JBDYXLQVHROOHM-UHFFFAOYSA-N -1 0 341.273 3.048 20 30 EGEDRM CCN(C(=O)c1cc(C#N)c(SC)[n-]c1=O)c1cccc(C)c1F ZINC001288104997 1381568755 /nfs/dbraw/zinc/56/87/55/1381568755.db2.gz UXMSTVSELKVJCK-UHFFFAOYSA-N -1 0 345.399 3.495 20 30 EGEDRM CC(C)[C@@H](C(=O)Nc1nc(C#N)c(C#N)[n-]1)c1cccc(Cl)c1 ZINC001300045199 1383640926 /nfs/dbraw/zinc/64/09/26/1383640926.db2.gz XBASGWAGRRWTJW-CQSZACIVSA-N -1 0 327.775 3.185 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1Nc1ccc(C#N)nc1Br ZINC001174670085 1385132273 /nfs/dbraw/zinc/13/22/73/1385132273.db2.gz GVGNZNXDVONKPK-UHFFFAOYSA-N -1 0 348.156 3.166 20 30 EGEDRM CCCCCC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1ccccc1C#N ZINC001318271277 1385639046 /nfs/dbraw/zinc/63/90/46/1385639046.db2.gz ZGTRDHVPDRDQSL-CQSZACIVSA-N -1 0 336.457 3.360 20 30 EGEDRM O=C([N-]Cc1cc(C(F)(F)F)ccn1)C(F)(F)C(F)(F)Cl ZINC001179781874 1386583351 /nfs/dbraw/zinc/58/33/51/1386583351.db2.gz TYPFKMMWXIBNFT-UHFFFAOYSA-N -1 0 338.610 3.184 20 30 EGEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccn(C2CCCCC2)n1 ZINC001320791137 1386719197 /nfs/dbraw/zinc/71/91/97/1386719197.db2.gz VTGRIQKODQXODG-UHFFFAOYSA-N -1 0 344.440 3.369 20 30 EGEDRM C=CCSCC(=O)Nc1cc(OC)cc(Br)c1O ZINC001180560574 1386835825 /nfs/dbraw/zinc/83/58/25/1386835825.db2.gz SRQFPHGYQHFRKP-UHFFFAOYSA-N -1 0 332.219 3.021 20 30 EGEDRM C=CC[C@@H](NC(=O)Nc1ccc2oc(C(C)(C)C)nc2c1)C(=O)[O-] ZINC001321583443 1386934862 /nfs/dbraw/zinc/93/48/62/1386934862.db2.gz QVMYACMCQJZSLE-LLVKDONJSA-N -1 0 331.372 3.276 20 30 EGEDRM C=CC[C@H](NC(=O)c1ccc(COc2ccccc2)cc1)C(=O)[O-] ZINC001322598329 1387211182 /nfs/dbraw/zinc/21/11/82/1387211182.db2.gz AWFNNECZFKSKMY-KRWDZBQOSA-N -1 0 325.364 3.025 20 30 EGEDRM C=CC[C@H](NC(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3)C(=O)[O-] ZINC001322600767 1387211623 /nfs/dbraw/zinc/21/16/23/1387211623.db2.gz IEBJFYAMGXWGPM-GTNSWQLSSA-N -1 0 326.396 3.052 20 30 EGEDRM N#Cc1cc(NC(=O)C2(O)c3ccccc3-c3ccccc32)ccc1O ZINC001182859214 1387235711 /nfs/dbraw/zinc/23/57/11/1387235711.db2.gz UUMNFJYOWFBQDE-UHFFFAOYSA-N -1 0 342.354 3.119 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)N(Cc2cccs2)C(C)C)cc1C#N ZINC001337666567 1389412090 /nfs/dbraw/zinc/41/20/90/1389412090.db2.gz AZUQFZCLGJORME-UHFFFAOYSA-N -1 0 347.465 3.493 20 30 EGEDRM CC[C@@H](C(=O)[N-]S(=O)(=O)c1ccccc1C#N)C1CCC(C)CC1 ZINC001337988228 1389506116 /nfs/dbraw/zinc/50/61/16/1389506116.db2.gz NTFVIRHEOGRMLK-ZBCRRDGASA-N -1 0 348.468 3.216 20 30 EGEDRM C=CCC[C@H]([NH2+]Cc1cc(Cl)cc(Br)c1[O-])C(=O)[O-] ZINC001339241885 1389955231 /nfs/dbraw/zinc/95/52/31/1389955231.db2.gz VXWQFVYLOOBCHP-NSHDSACASA-N -1 0 348.624 3.317 20 30 EGEDRM C=C(C)Cn1c(-c2c[nH]oc2=O)nnc1N1CC[C@@H](CC(C)C)C1 ZINC001342189247 1390583498 /nfs/dbraw/zinc/58/34/98/1390583498.db2.gz RDBLXTDUPKXJRY-ZDUSSCGKSA-N -1 0 331.420 3.087 20 30 EGEDRM CCOC(=O)Nc1ccc(Cl)c(C([O-])=C(C#N)c2nccn2C)c1 ZINC001342267794 1390593179 /nfs/dbraw/zinc/59/31/79/1390593179.db2.gz GCIARKOXXKMREV-GFCCVEGCSA-N -1 0 346.774 3.132 20 30 EGEDRM CCOC(=O)Nc1ccc(Cl)c(C([O-])=C(C#N)c2nccn2C)c1 ZINC001342267795 1390593224 /nfs/dbraw/zinc/59/32/24/1390593224.db2.gz GCIARKOXXKMREV-LBPRGKRZSA-N -1 0 346.774 3.132 20 30 EGEDRM Cc1c(C(=O)[C@H](C#N)c2nc3c(nccc3C)[nH]2)cnn1C1CCCC1 ZINC001342559577 1390626570 /nfs/dbraw/zinc/62/65/70/1390626570.db2.gz VMLKJRDZJYFQRW-AWEZNQCLSA-N -1 0 348.410 3.376 20 30 EGEDRM CCC(CC)n1nccc1C([O-])=C(C#N)c1nc(N)c2ccccc2n1 ZINC001343355552 1390709164 /nfs/dbraw/zinc/70/91/64/1390709164.db2.gz SLXVGDCGRCQKOA-CQSZACIVSA-N -1 0 348.410 3.260 20 30 EGEDRM N#CC(=C([O-])c1ncc(Br)cn1)c1nc(C2CC2)cs1 ZINC001343756202 1390735113 /nfs/dbraw/zinc/73/51/13/1390735113.db2.gz QFLQWPGGGMAKDM-VIFPVBQESA-N -1 0 349.213 3.063 20 30 EGEDRM C=C(C)Cn1c(-c2c[n-]n(CC)c2=O)nnc1N(CCC)CC1CC1 ZINC001343966798 1390747127 /nfs/dbraw/zinc/74/71/27/1390747127.db2.gz QUSFZQNPRQFSNY-UHFFFAOYSA-N -1 0 344.463 3.070 20 30 EGEDRM CCn1nc(C2CC2)cc1C([O-])=C(C#N)c1cnc2ccccc2n1 ZINC001344581296 1390800975 /nfs/dbraw/zinc/80/09/75/1390800975.db2.gz XGLXQCHHCWXFMT-ZDUSSCGKSA-N -1 0 331.379 3.214 20 30 EGEDRM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1cccc(F)c1F ZINC000826401032 1426613863 /nfs/dbraw/zinc/61/38/63/1426613863.db2.gz NMZQJPXNPFAJOM-ALCCZGGFSA-N -1 0 330.269 3.180 20 30 EGEDRM Cc1ccc(F)c(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000826289118 1428926666 /nfs/dbraw/zinc/92/66/66/1428926666.db2.gz LCRRRIWOTFGNKU-DAXSKMNVSA-N -1 0 326.306 3.349 20 30 EGEDRM Cc1ccc(F)c(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000826288998 1429641882 /nfs/dbraw/zinc/64/18/82/1429641882.db2.gz GIVJNGMUQVDHBP-DAXSKMNVSA-N -1 0 326.306 3.349 20 30 EGEDRM COc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1-c1nn[n-]n1 ZINC000737082128 1423497554 /nfs/dbraw/zinc/49/75/54/1423497554.db2.gz UWZHUEGWSWGKQQ-ALCCZGGFSA-N -1 0 340.770 3.425 20 30 EGEDRM C=CC1CCN(c2c(-c3nn[n-]n3)cnc3c(F)ccc(F)c32)CC1 ZINC000819729717 1425569923 /nfs/dbraw/zinc/56/99/23/1425569923.db2.gz LEOJLRVNHDKUJS-UHFFFAOYSA-N -1 0 342.353 3.096 20 30 EGEDRM CC(=CN=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)Cc1ccccc1 ZINC000824384540 1426443261 /nfs/dbraw/zinc/44/32/61/1426443261.db2.gz DCJUZEAKCNWDJE-LGWHBSRUSA-N -1 0 339.790 3.416 20 30 EGEDRM N#Cc1cc(NC(=O)CCC=Cc2ccccc2)ccc1-c1nn[n-]n1 ZINC000737704458 1426849286 /nfs/dbraw/zinc/84/92/86/1426849286.db2.gz IRKJLUOQPADFDF-YWEYNIOJSA-N -1 0 344.378 3.170 20 30 EGEDRM CCc1ccc(C(C)=NNCc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000821477062 1426919191 /nfs/dbraw/zinc/91/91/91/1426919191.db2.gz WYIYIWJHSGOOPK-UHFFFAOYSA-N -1 0 326.429 3.004 20 30 EGEDRM C#CCN(Cc1cc(-c2nn[n-]n2)cs1)[C@@H]1CCc2ccccc21 ZINC000819702185 1426924754 /nfs/dbraw/zinc/92/47/54/1426924754.db2.gz SCWNXGRIABXNBG-QGZVFWFLSA-N -1 0 335.436 3.051 20 30 EGEDRM COc1ccc(C=CC(=O)c2cc(F)cc(F)c2)cc1-c1nn[n-]n1 ZINC000821787373 1426962758 /nfs/dbraw/zinc/96/27/58/1426962758.db2.gz SBXHSIPQGLWZLL-DUXPYHPUSA-N -1 0 342.305 3.050 20 30 EGEDRM Cc1ccc(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)s1 ZINC000737329794 1427200669 /nfs/dbraw/zinc/20/06/69/1427200669.db2.gz NXSFSWJKCURBRY-BQYQJAHWSA-N -1 0 339.424 3.189 20 30 EGEDRM Cc1cc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc(C)c1O ZINC000822198791 1427279659 /nfs/dbraw/zinc/27/96/59/1427279659.db2.gz KKLXXHBOCUOMOT-OQLLNIDSSA-N -1 0 346.390 3.402 20 30 EGEDRM N#CCC[C@H](NC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000826381811 1427726719 /nfs/dbraw/zinc/72/67/19/1427726719.db2.gz ZZZCXQUINKYXJQ-INIZCTEOSA-N -1 0 347.382 3.033 20 30 EGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(F)=C1CCCC1 ZINC000819744164 1441733002 /nfs/dbraw/zinc/73/30/02/1441733002.db2.gz YOVHOQGJTYDOLI-UHFFFAOYSA-N -1 0 341.390 3.179 20 30 EGEDRM CC(C)Oc1ccc(NCc2cccc(C#N)c2)cc1-c1nn[n-]n1 ZINC000820173386 1441798868 /nfs/dbraw/zinc/79/88/68/1441798868.db2.gz CXMPOKCIEXVCLE-UHFFFAOYSA-N -1 0 334.383 3.138 20 30 EGEDRM O=C(C=Cc1ccc2ncccc2c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826401034 1441957913 /nfs/dbraw/zinc/95/79/13/1441957913.db2.gz NOSMVMDIUFEEKR-XBXARRHUSA-N -1 0 345.337 3.450 20 30 EGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1CCC(C)(C)C1 ZINC000823910115 1443106980 /nfs/dbraw/zinc/10/69/80/1443106980.db2.gz XODNYNFOQSQSLU-MRXNPFEDSA-N -1 0 339.443 3.208 20 30 EGEDRM O=C1c2cc(F)ccc2SCC1=Cc1ccccc1-c1nn[n-]n1 ZINC000826476301 1443859287 /nfs/dbraw/zinc/85/92/87/1443859287.db2.gz FENRIOHZKYFVJL-YRNVUSSQSA-N -1 0 338.367 3.378 20 30 EGEDRM N#Cc1ccc(OCCCSc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737721379 1443867831 /nfs/dbraw/zinc/86/78/31/1443867831.db2.gz JLHHKSQKDXQJTI-UHFFFAOYSA-N -1 0 337.408 3.300 20 30 EGEDRM O=C1C(=Cc2ccc(-c3nn[n-]n3)s2)CSc2ccccc21 ZINC000823504286 1446450691 /nfs/dbraw/zinc/45/06/91/1446450691.db2.gz OQEMBNILCKRZDF-CLFYSBASSA-N -1 0 326.406 3.300 20 30 EGEDRM C=CC1(CC(=O)N[C@@H](C(=O)[O-])c2ccc(OC)c(O)c2)CCCCC1 ZINC000907843505 939301642 /nfs/dbraw/zinc/30/16/42/939301642.db2.gz DCTRTRQITDBNFA-QGZVFWFLSA-N -1 0 347.411 3.169 20 30 EGEDRM N#Cc1ccc(CC(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)cc1 ZINC001601099875 970932147 /nfs/dbraw/zinc/93/21/47/970932147.db2.gz RQINLAWKZOLXJG-UHFFFAOYSA-N -1 0 340.404 3.378 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC001602781416 971524786 /nfs/dbraw/zinc/52/47/86/971524786.db2.gz ZWGNUDLHQDKWDQ-QIIPPGSGSA-N -1 0 348.830 3.487 20 30 EGEDRM CC[C@@H]1CCc2c(sc(NC(=O)CSCC#N)c2C(=O)[O-])C1 ZINC001589622384 949431790 /nfs/dbraw/zinc/43/17/90/949431790.db2.gz DEWDIYYULGUROP-SECBINFHSA-N -1 0 338.454 3.156 20 30 EGEDRM CCCC[C@H](ON=C(C)C)C(=O)N[C@](C)(C(=O)[O-])c1ccccc1 ZINC001589639746 949670951 /nfs/dbraw/zinc/67/09/51/949670951.db2.gz KFGZVHCEEVHAFA-YJBOKZPZSA-N -1 0 334.416 3.074 20 30 EGEDRM CCCC[C@H](ON=C(C)C)C(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001589639935 949676294 /nfs/dbraw/zinc/67/62/94/949676294.db2.gz PZMJQFHIDPMYOX-ULQDDVLXSA-N -1 0 346.427 3.387 20 30 EGEDRM CCCC[C@@H](ON=C(C)C)C(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC001589640046 949680530 /nfs/dbraw/zinc/68/05/30/949680530.db2.gz WDQLZNPHLBXMSV-IAGOWNOFSA-N -1 0 346.427 3.168 20 30 EGEDRM CCCC[C@@H](ON=C(C)C)C(=O)N1CCc2ccccc2[C@H]1C(=O)[O-] ZINC001589640048 949680825 /nfs/dbraw/zinc/68/08/25/949680825.db2.gz WDQLZNPHLBXMSV-SJORKVTESA-N -1 0 346.427 3.168 20 30 EGEDRM CC(C)(C)c1ccc([C@H](C#N)NC(=O)[C@@]2(C(=O)[O-])CC=CCC2)cc1 ZINC001602922940 971882554 /nfs/dbraw/zinc/88/25/54/971882554.db2.gz KBZCFZHWQMWYCN-OXJNMPFZSA-N -1 0 340.423 3.476 20 30 EGEDRM C#C[C@](C)(CC)NC(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000384131163 971912368 /nfs/dbraw/zinc/91/23/68/971912368.db2.gz CHOJIGGNBVDTDW-CQSZACIVSA-N -1 0 339.189 3.071 20 30 EGEDRM CCc1ccc([C@@H](C#N)N(C)C(=O)/C=C\c2ccc(C(=O)[O-])o2)cc1 ZINC001593635512 953608827 /nfs/dbraw/zinc/60/88/27/953608827.db2.gz UZJDUEPMVCXHLM-HGPCXVNDSA-N -1 0 338.363 3.277 20 30 EGEDRM C[C@@H]1CCc2sc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])c(C#N)c2[C@@H]1C ZINC001589365134 954183818 /nfs/dbraw/zinc/18/38/18/954183818.db2.gz HJFSAPMKFFPDHO-VHCOLVSPSA-N -1 0 345.424 3.249 20 30 EGEDRM C[C@@H]1CCc2nc(NC(=O)c3cccc(C(=O)[O-])c3)c(C#N)cc2C1 ZINC001589365223 954184759 /nfs/dbraw/zinc/18/47/59/954184759.db2.gz JOYNXBUKHRPDPE-LLVKDONJSA-N -1 0 335.363 3.029 20 30 EGEDRM C[C@H]1CCc2sc(NC(=O)[C@H]3CC[C@H]3C(=O)[O-])c(C#N)c2[C@H]1C ZINC001589365789 954190923 /nfs/dbraw/zinc/19/09/23/954190923.db2.gz WBIHRCPLTFKRRG-XWLWVQCSSA-N -1 0 332.425 3.355 20 30 EGEDRM C[C@H]1CN(C(=O)c2ccc(C#Cc3ccccc3)cc2)CC[C@H]1C(=O)[O-] ZINC001589393449 954351640 /nfs/dbraw/zinc/35/16/40/954351640.db2.gz YGGHEXBEWQHCDS-OXJNMPFZSA-N -1 0 347.414 3.269 20 30 EGEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21 ZINC001589079912 955845184 /nfs/dbraw/zinc/84/51/84/955845184.db2.gz ZODSHLUHMLNCQD-KBXCAEBGSA-N -1 0 348.402 3.342 20 30 EGEDRM N#C[C@@H](CCc1ccccc1)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001594602567 956148021 /nfs/dbraw/zinc/14/80/21/956148021.db2.gz XWOJRAPVPMUEHJ-QGZVFWFLSA-N -1 0 336.391 3.415 20 30 EGEDRM N#CC1(c2ccc(COC(=O)c3coc(/C=C/C(=O)[O-])c3)cc2)CC1 ZINC001594602907 956152859 /nfs/dbraw/zinc/15/28/59/956152859.db2.gz UFWGZBOWZHGODN-AATRIKPKSA-N -1 0 337.331 3.290 20 30 EGEDRM N#CC1(CNC(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)CCCCC1 ZINC001594603600 956156029 /nfs/dbraw/zinc/15/60/29/956156029.db2.gz GHLMRGCEUPNCJB-JKSUJKDBSA-N -1 0 341.411 3.073 20 30 EGEDRM N#CCN(C(=O)c1coc(/C=C\C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC001594610407 956203051 /nfs/dbraw/zinc/20/30/51/956203051.db2.gz YPUXAMBAFQWBBT-WAYWQWQTSA-N -1 0 330.727 3.201 20 30 EGEDRM N#CCc1cccc(NC(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c1 ZINC001594611579 956216350 /nfs/dbraw/zinc/21/63/50/956216350.db2.gz YWWGBQOWNSNHLN-ZWKOTPCHSA-N -1 0 349.390 3.085 20 30 EGEDRM N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001594626401 956317700 /nfs/dbraw/zinc/31/77/00/956317700.db2.gz ALWPMPLQDVRBDQ-QGZVFWFLSA-N -1 0 335.363 3.456 20 30 EGEDRM N#Cc1sc(NC(=O)C2(C(=O)[O-])CCCCCC2)nc1Cl ZINC001594635854 956372109 /nfs/dbraw/zinc/37/21/09/956372109.db2.gz VXXYDNZMXVSZRH-UHFFFAOYSA-N -1 0 327.793 3.032 20 30 EGEDRM C[C@@H](SCC(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1)C(=O)[O-] ZINC001589169164 956454775 /nfs/dbraw/zinc/45/47/75/956454775.db2.gz VMBJYBAGKMBLDG-PWSUYJOCSA-N -1 0 346.433 3.193 20 30 EGEDRM C=CCCC[C@H](NC(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1)c1ccccc1 ZINC000902698347 956773023 /nfs/dbraw/zinc/77/30/23/956773023.db2.gz LQWUEKRZNQHKTJ-SQNIBIBYSA-N -1 0 345.439 3.470 20 30 EGEDRM Cc1cc(N(CCC#N)C(=O)CS[C@H](C)C(=O)[O-])ccc1Cl ZINC001594311893 958038910 /nfs/dbraw/zinc/03/89/10/958038910.db2.gz QEWLJJVGGMXPTD-LLVKDONJSA-N -1 0 340.832 3.101 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC001588417352 958171181 /nfs/dbraw/zinc/17/11/81/958171181.db2.gz KBKBBLJMECPQEB-UHFFFAOYSA-N -1 0 344.370 3.062 20 30 EGEDRM C=C(CNC(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21)c1ccccc1 ZINC001588445900 958378804 /nfs/dbraw/zinc/37/88/04/958378804.db2.gz VJLJLGABLVZPLS-ROUUACIJSA-N -1 0 336.391 3.312 20 30 EGEDRM C=CC[C@@H](Cc1ccccc1)NC(=O)Nc1cccnc1C(=O)[O-] ZINC001588452571 958425564 /nfs/dbraw/zinc/42/55/64/958425564.db2.gz GSPYVCGUSCETLD-AWEZNQCLSA-N -1 0 325.368 3.089 20 30 EGEDRM C=CC[S@@](=O)(=NC(=O)C1(C(=O)[O-])C(C)(C)C1(C)C)c1ccccc1 ZINC001588469653 958517888 /nfs/dbraw/zinc/51/78/88/958517888.db2.gz SBTYHTMJRWTSHW-DEOSSOPVSA-N -1 0 349.452 3.363 20 30 EGEDRM CC(C)CN(Cc1cccc(Cl)c1)C(=O)[C@](C)(C#N)CC(=O)[O-] ZINC001573522998 959131583 /nfs/dbraw/zinc/13/15/83/959131583.db2.gz RYDBNPMVTXAOQT-KRWDZBQOSA-N -1 0 336.819 3.329 20 30 EGEDRM CC(C)c1ccc2c(c1)[C@@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])CCC2 ZINC001573567071 959294320 /nfs/dbraw/zinc/29/43/20/959294320.db2.gz RXTZKWJKMXXMNU-LPHOPBHVSA-N -1 0 328.412 3.308 20 30 EGEDRM O=C([O-])C1(CNC(=O)Nc2cccc(C#Cc3ccccc3)c2)CCC1 ZINC001605757016 972418077 /nfs/dbraw/zinc/41/80/77/972418077.db2.gz KIURWHNZWFOENL-UHFFFAOYSA-N -1 0 348.402 3.463 20 30 EGEDRM C[C@@H](C(=O)[O-])N(C(=O)c1ccc(C#Cc2ccccc2)cc1)C1CC1 ZINC001588589601 959334231 /nfs/dbraw/zinc/33/42/31/959334231.db2.gz OZRBNHFRWHPHEG-HNNXBMFYSA-N -1 0 333.387 3.164 20 30 EGEDRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl ZINC001588636072 959661027 /nfs/dbraw/zinc/66/10/27/959661027.db2.gz UHWACONVBQCVIA-WDEREUQCSA-N -1 0 343.210 3.421 20 30 EGEDRM N#Cc1c(NC(=O)c2coc(/C=C/C(=O)[O-])c2)sc2c1CCC2 ZINC001574479565 961650743 /nfs/dbraw/zinc/65/07/43/961650743.db2.gz JSZUWWHEDDRDKH-SNAWJCMRSA-N -1 0 328.349 3.052 20 30 EGEDRM CN(C(=O)c1coc(/C=C\C(=O)[O-])c1)c1cc(Cl)ccc1C#N ZINC001573983113 961778382 /nfs/dbraw/zinc/77/83/82/961778382.db2.gz KXCTUDKOPFECDD-PLNGDYQASA-N -1 0 330.727 3.179 20 30 EGEDRM CC(C)CCOc1ccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])cc1F ZINC001588868107 962038541 /nfs/dbraw/zinc/03/85/41/962038541.db2.gz VYWOGMFJVCOBCD-QGZVFWFLSA-N -1 0 336.363 3.194 20 30 EGEDRM CC(C)C[C@@H](Nc1nccc(Oc2cccc(C#N)c2)n1)C(=O)[O-] ZINC001588887408 962183821 /nfs/dbraw/zinc/18/38/21/962183821.db2.gz LPMZPINONYYRCQ-CQSZACIVSA-N -1 0 326.356 3.052 20 30 EGEDRM C=C[C@H](CC(=O)N1CCc2ccc(C(=O)[O-])nc2C1)c1ccccc1 ZINC001344540472 962191867 /nfs/dbraw/zinc/19/18/67/962191867.db2.gz DKOIWVFVDWEFJA-CQSZACIVSA-N -1 0 336.391 3.024 20 30 EGEDRM C=CCOC[C@@H](NC(=O)c1ccc(C2CCCCC2)cc1)C(=O)[O-] ZINC000263177349 962331294 /nfs/dbraw/zinc/33/12/94/962331294.db2.gz ZIABUTXLEDMWLJ-QGZVFWFLSA-N -1 0 331.412 3.120 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N1CCc2c(cccc2C(F)(F)F)C1 ZINC001573331762 962813855 /nfs/dbraw/zinc/81/38/55/962813855.db2.gz ACUVRCDVQPOAHF-UHFFFAOYSA-N -1 0 327.302 3.011 20 30 EGEDRM C=CCC1(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CCCCC1 ZINC001573352679 962990034 /nfs/dbraw/zinc/99/00/34/962990034.db2.gz HNZRFKPQQCPVKC-UHFFFAOYSA-N -1 0 332.356 3.302 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1cnn(-c2cccc(Cl)c2)c1)C(=O)[O-] ZINC001573365880 963057204 /nfs/dbraw/zinc/05/72/04/963057204.db2.gz ISJGVNVZORIOPC-OAHLLOKOSA-N -1 0 347.802 3.065 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC001609692871 970450637 /nfs/dbraw/zinc/45/06/37/970450637.db2.gz ABOBJBYFPXCEDM-LBPRGKRZSA-N -1 0 334.681 3.302 20 30 EGEDRM N#CCSc1ccccc1C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000319788570 970572035 /nfs/dbraw/zinc/57/20/35/970572035.db2.gz ZIESBAJZYDCTKJ-UHFFFAOYSA-N -1 0 330.340 3.392 20 30 EGEDRM N#CCc1ccc(NC(=O)CSc2ccc(C(=O)[O-])cc2)cc1 ZINC000320724541 970705358 /nfs/dbraw/zinc/70/53/58/970705358.db2.gz WJWUOXHBMPLWKR-UHFFFAOYSA-N -1 0 326.377 3.182 20 30 EGEDRM C[C@@H]1C[C@H](C)Cc2c(C#N)c(NC(=O)C3(C(=O)[O-])CCC3)sc21 ZINC001603476849 973372542 /nfs/dbraw/zinc/37/25/42/973372542.db2.gz ZFBWICWCYPTGPF-VHSXEESVSA-N -1 0 332.425 3.499 20 30 EGEDRM N#Cc1cccc([N+](=O)[O-])c1CN1CC[C@H](C(=O)[O-])c2ccccc21 ZINC001605619631 973938215 /nfs/dbraw/zinc/93/82/15/973938215.db2.gz BZRXEYNASAYOEC-AWEZNQCLSA-N -1 0 337.335 3.045 20 30 EGEDRM CN(C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl)[C@H]1CCC[C@H]1C#N ZINC001604034815 974557087 /nfs/dbraw/zinc/55/70/87/974557087.db2.gz DHRYHEHHEDEEAG-KWQFWETISA-N -1 0 339.754 3.333 20 30 EGEDRM CC(C)n1cc2c(n1)[C@@H](N[C@H](C(=O)[O-])c1ccc(C#N)cc1)CCC2 ZINC001592130733 976960634 /nfs/dbraw/zinc/96/06/34/976960634.db2.gz HQBAXELZPNAGJE-WMZOPIPTSA-N -1 0 338.411 3.129 20 30 EGEDRM CC(C)(CNc1ccc(C#N)c(Br)c1F)CC(=O)[O-] ZINC000720907291 978082146 /nfs/dbraw/zinc/08/21/46/978082146.db2.gz FYQVUPZIUYLJJB-UHFFFAOYSA-N -1 0 329.169 3.373 20 30 EGEDRM C[C@H](CN(Cc1ccccc1)c1snc(Cl)c1C#N)C(=O)[O-] ZINC001592609657 978556630 /nfs/dbraw/zinc/55/66/30/978556630.db2.gz HICZQMWTPDQVGK-SNVBAGLBSA-N -1 0 335.816 3.395 20 30 EGEDRM CCOC(=O)C(F)(F)[C@@H]1CCC(N=Nc2cccc(C(=O)[O-])c2)C1 ZINC000752717345 978692677 /nfs/dbraw/zinc/69/26/77/978692677.db2.gz FJCGUOIAHPSRGE-LLVKDONJSA-N -1 0 340.326 3.151 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1NN=C(C)c1ccc([N+](=O)[O-])cc1 ZINC000756906016 978702067 /nfs/dbraw/zinc/70/20/67/978702067.db2.gz PPUQEMGIFYSGQE-UHFFFAOYSA-N -1 0 329.312 3.138 20 30 EGEDRM O=C([O-])c1ccc(N=NCc2csc(-c3ccc(F)cc3)n2)nc1 ZINC000763367358 978720660 /nfs/dbraw/zinc/72/06/60/978720660.db2.gz BJPBRHIUTKIHEQ-UHFFFAOYSA-N -1 0 342.355 3.488 20 30 EGEDRM O=C([O-])c1ccc([N-][NH+]=Cc2ccc(N3CCCCC3)s2)nc1 ZINC000763368986 978721346 /nfs/dbraw/zinc/72/13/46/978721346.db2.gz RRCSWBMZXHSYTE-UHFFFAOYSA-N -1 0 330.413 3.278 20 30 EGEDRM Cc1nn2c(C=NNc3cccc(C(=O)[O-])c3)c(C(C)C)nc2s1 ZINC000766678052 978724527 /nfs/dbraw/zinc/72/45/27/978724527.db2.gz KBURCDPGUYUYNW-UHFFFAOYSA-N -1 0 343.412 3.367 20 30 EGEDRM C[C@H](Oc1ccc(/C=C2/Oc3cc(F)cc(F)c3C2=O)cc1)C(=O)[O-] ZINC000794713982 978818342 /nfs/dbraw/zinc/81/83/42/978818342.db2.gz TVXMSPUUIGZYKV-JBZZFUPASA-N -1 0 346.285 3.433 20 30 EGEDRM CC(C)(C)OC(=O)N1CCC[C@@H]1CN=Nc1ccccc1C(=O)[O-] ZINC000814768642 978883435 /nfs/dbraw/zinc/88/34/35/978883435.db2.gz GQRHZIKFJMDXDI-GFCCVEGCSA-N -1 0 333.388 3.182 20 30 EGEDRM CC(N=Nc1ccc(C(F)(F)F)nn1)c1cc(C(=O)[O-])cs1 ZINC000814888368 978896623 /nfs/dbraw/zinc/89/66/23/978896623.db2.gz WSFNBTFUDJBJAQ-UHFFFAOYSA-N -1 0 330.291 3.091 20 30 EGEDRM C[C@](Cc1ccc(Cl)cc1)(NC(=O)c1cscc1C#N)C(=O)[O-] ZINC001592840941 979610570 /nfs/dbraw/zinc/61/05/70/979610570.db2.gz VFHCNDUDGMDAOI-MRXNPFEDSA-N -1 0 348.811 3.089 20 30 EGEDRM C[C@@H](Cc1ccc(NC(=O)NCc2ccc(C#N)s2)cc1)C(=O)[O-] ZINC001592871656 979724862 /nfs/dbraw/zinc/72/48/62/979724862.db2.gz GSHGEWONWKAXPY-NSHDSACASA-N -1 0 343.408 3.205 20 30 EGEDRM C[C@@H](Cc1ccc(NC(=O)NCc2cccc(C#N)c2)cc1)C(=O)[O-] ZINC001592873035 979733412 /nfs/dbraw/zinc/73/34/12/979733412.db2.gz QBKLJMUSAREKNB-ZDUSSCGKSA-N -1 0 337.379 3.143 20 30 EGEDRM Cc1nn(C)c2nc(Cl)cc(N=NC3CC[C@H](CC(=O)[O-])[C@H]3C)c12 ZINC000872423047 980074793 /nfs/dbraw/zinc/07/47/93/980074793.db2.gz ZOOBZINIVDRYKF-PSASIEDQSA-N -1 0 349.822 3.219 20 30 EGEDRM C=CCC[C@H](NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)c1ccccc1 ZINC000872740499 980134207 /nfs/dbraw/zinc/13/42/07/980134207.db2.gz XBNRJYJEJLWGTA-YESZJQIVSA-N -1 0 331.412 3.223 20 30 EGEDRM N#Cc1ccc(C2(C(=O)NCCCCCC(=O)[O-])CCCC2)cc1 ZINC000901436357 980283344 /nfs/dbraw/zinc/28/33/44/980283344.db2.gz HBTCBMPQJMFYSP-UHFFFAOYSA-N -1 0 328.412 3.131 20 30 EGEDRM C=C(C)C(C)(C)C(=O)NC[C@@H](Cc1ccc(OCC)cc1)C(=O)[O-] ZINC000909170228 981430629 /nfs/dbraw/zinc/43/06/29/981430629.db2.gz GCFLFSRPTFKTGL-OAHLLOKOSA-N -1 0 333.428 3.047 20 30 EGEDRM C=C(C)C(C)(C)C(=O)NC[C@H](Cc1ccc(OCC)cc1)C(=O)[O-] ZINC000909170227 981430668 /nfs/dbraw/zinc/43/06/68/981430668.db2.gz GCFLFSRPTFKTGL-HNNXBMFYSA-N -1 0 333.428 3.047 20 30 EGEDRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)Cc1c(C)cc(C#N)cc1C ZINC001594781560 981787325 /nfs/dbraw/zinc/78/73/25/981787325.db2.gz KYOASPZGEACQPO-FQEVSTJZSA-N -1 0 342.439 3.210 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1[nH]c2ccc(F)cc2c1Cl)C(=O)[O-] ZINC000910914882 982162655 /nfs/dbraw/zinc/16/26/55/982162655.db2.gz OXEOWSPKEMGYSF-LBPRGKRZSA-N -1 0 338.766 3.500 20 30 EGEDRM C=CCCC[C@H](NC(=O)Cc1nc(-c2ccco2)c(C)s1)C(=O)[O-] ZINC000910924396 982166060 /nfs/dbraw/zinc/16/60/60/982166060.db2.gz BGQKPCQSLTUFLW-LBPRGKRZSA-N -1 0 348.424 3.180 20 30 EGEDRM CCCCCCCNC(=O)Nc1nc2c(s1)CC[C@@H](C(=O)[O-])C2 ZINC001595704516 982276232 /nfs/dbraw/zinc/27/62/32/982276232.db2.gz RVDBYOYDZCSGCX-LLVKDONJSA-N -1 0 339.461 3.425 20 30 EGEDRM CCOc1ccc(NC(=S)NN=Cc2ccccc2C(=O)[O-])cc1 ZINC000915927085 982670590 /nfs/dbraw/zinc/67/05/90/982670590.db2.gz UJWQXYIQIWFTRU-UHFFFAOYSA-N -1 0 343.408 3.104 20 30 EGEDRM COc1cc2c(cc1C=NNc1cccc(C(=O)[O-])c1)O[C@H](C)C2 ZINC000916540017 982676404 /nfs/dbraw/zinc/67/64/04/982676404.db2.gz JTIXEMZPTJMJBL-LLVKDONJSA-N -1 0 326.352 3.163 20 30 EGEDRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)[C@@]2(C#N)CC3CCC2CC3)C1 ZINC000923068213 982705372 /nfs/dbraw/zinc/70/53/72/982705372.db2.gz CYULGMNOYUHHTA-MCPBJLBBSA-N -1 0 332.444 3.056 20 30 EGEDRM N#C[C@@]1(C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)CC2CCC1CC2 ZINC000923104319 982727302 /nfs/dbraw/zinc/72/73/02/982727302.db2.gz WBBWZXJLFOPKOP-NGSWDACCSA-N -1 0 338.407 3.312 20 30 EGEDRM CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC001595885688 982907768 /nfs/dbraw/zinc/90/77/68/982907768.db2.gz BBVLRXRMQDBUBG-NTMALXAHSA-N -1 0 338.363 3.301 20 30 EGEDRM C#C[C@H](N[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1)C1CCOCC1 ZINC001588378158 983361865 /nfs/dbraw/zinc/36/18/65/983361865.db2.gz VSFXHAJWLNLXNB-LSDHHAIUSA-N -1 0 342.222 3.137 20 30 EGEDRM C#CCCCC(=O)N(C)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001588435056 983474183 /nfs/dbraw/zinc/47/41/83/983474183.db2.gz AUNUAVBWOMTHAZ-AWEZNQCLSA-N -1 0 328.195 3.381 20 30 EGEDRM C#CCCOc1ccc(C(=O)Nc2cc(C(=O)[O-])sc2C)cc1 ZINC001588455531 983480293 /nfs/dbraw/zinc/48/02/93/983480293.db2.gz PADKZORMFDIOGB-UHFFFAOYSA-N -1 0 329.377 3.409 20 30 EGEDRM C#CCN(C(=O)NCC(C)(C)CC(=O)[O-])[C@H]1CCCc2ccccc21 ZINC001588459691 983485899 /nfs/dbraw/zinc/48/58/99/983485899.db2.gz IBOYGWGWHYDGST-KRWDZBQOSA-N -1 0 342.439 3.210 20 30 EGEDRM C#CCN(Cn1ncc2cc(C(=O)[O-])ccc21)[C@@H]1CCc2ccccc21 ZINC001588471723 983507100 /nfs/dbraw/zinc/50/71/00/983507100.db2.gz YOEQNWQEZIVHEM-HXUWFJFHSA-N -1 0 345.402 3.315 20 30 EGEDRM C#CCOc1cccc([C@H](C)OC(=O)Cc2cccc(C(=O)[O-])c2)c1 ZINC001588497774 983541267 /nfs/dbraw/zinc/54/12/67/983541267.db2.gz AIDZWYJGLVZYQI-AWEZNQCLSA-N -1 0 338.359 3.244 20 30 EGEDRM C#CCOc1cccc(Oc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])c1 ZINC001588504512 983547746 /nfs/dbraw/zinc/54/77/46/983547746.db2.gz YWHOJXKJFWLAOZ-UHFFFAOYSA-N -1 0 327.292 3.026 20 30 EGEDRM C#CCOc1ccccc1NC(=O)NC[C@H](CC1CCCC1)C(=O)[O-] ZINC001588504891 983549281 /nfs/dbraw/zinc/54/92/81/983549281.db2.gz OKBLFRUVQSHSLF-HNNXBMFYSA-N -1 0 344.411 3.101 20 30 EGEDRM C#CCSCCNC(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001588505973 983550451 /nfs/dbraw/zinc/55/04/51/983550451.db2.gz CCZQYNODCGMUGM-UHFFFAOYSA-N -1 0 328.393 3.026 20 30 EGEDRM C#CCSc1ccc(COC(=O)Cc2cccc(C(=O)[O-])c2)cc1 ZINC001588509470 983552885 /nfs/dbraw/zinc/55/28/85/983552885.db2.gz GWYOOGRAJVJKGZ-UHFFFAOYSA-N -1 0 340.400 3.396 20 30 EGEDRM C#Cc1cccc(N(Cc2ccco2)C(=O)c2ccoc2CC(=O)[O-])c1 ZINC001588523682 983573173 /nfs/dbraw/zinc/57/31/73/983573173.db2.gz SMIPPERINDWLHI-UHFFFAOYSA-N -1 0 349.342 3.328 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)c1nc(-c2ccccc2)oc1C1CC1)C(=O)[O-] ZINC001588547841 983621958 /nfs/dbraw/zinc/62/19/58/983621958.db2.gz IBOZKGIQJMPKCD-CQSZACIVSA-N -1 0 340.379 3.368 20 30 EGEDRM C=C(C)C[C@H](NC(=O)c1ccnc(Oc2ccccc2)c1)C(=O)[O-] ZINC001588548658 983624732 /nfs/dbraw/zinc/62/47/32/983624732.db2.gz SEMULVWKUWHUDT-HNNXBMFYSA-N -1 0 326.352 3.023 20 30 EGEDRM C=C(CC)C(=O)N[C@H](CC(=O)[O-])c1cccc(Br)c1 ZINC001588605409 983692782 /nfs/dbraw/zinc/69/27/82/983692782.db2.gz DHTRCTWCGHKRQC-GFCCVEGCSA-N -1 0 326.190 3.047 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)NC(C)(C)c1ccc(OCC(C)C)cc1 ZINC001588619077 983714591 /nfs/dbraw/zinc/71/45/91/983714591.db2.gz KGCIDEBSKSTDNM-UHFFFAOYSA-N -1 0 333.428 3.494 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N[C@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC001588623830 983729960 /nfs/dbraw/zinc/72/99/60/983729960.db2.gz YMMNVMQZLPMCSW-NSHDSACASA-N -1 0 344.194 3.354 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1c(-c2ccccc2)nc2n1CCCC2 ZINC001588630682 983745915 /nfs/dbraw/zinc/74/59/15/983745915.db2.gz XDWBCFQEBBMUND-UHFFFAOYSA-N -1 0 339.395 3.246 20 30 EGEDRM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@](CC)(C(=O)[O-])c1ccccc1 ZINC001588644147 983768417 /nfs/dbraw/zinc/76/84/17/983768417.db2.gz DPDOJXVYVGVHTC-FUHIMQAGSA-N -1 0 342.439 3.312 20 30 EGEDRM C=C1CCC(CNC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)CC1 ZINC001588649746 983770236 /nfs/dbraw/zinc/77/02/36/983770236.db2.gz APGLKLXSRTYFDV-UHFFFAOYSA-N -1 0 347.371 3.469 20 30 EGEDRM C=C[C@@H](C(=O)N1C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C1)c1ccccc1 ZINC001588661802 983788021 /nfs/dbraw/zinc/78/80/21/983788021.db2.gz RYCKBYGVIZJTDQ-BFHYXJOUSA-N -1 0 341.329 3.068 20 30 EGEDRM C=C[C@H](Nc1cc(Cl)ccc1OC[C@@H]1CCCCO1)C(=O)[O-] ZINC001588702183 983918894 /nfs/dbraw/zinc/91/88/94/983918894.db2.gz LRSPJKIIHRZLHL-STQMWFEESA-N -1 0 325.792 3.339 20 30 EGEDRM C=CC[C@@H](C(=O)[O-])N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC001588731610 984009939 /nfs/dbraw/zinc/00/99/39/984009939.db2.gz LJYGYCRDZGUZQC-AWEZNQCLSA-N -1 0 349.228 3.318 20 30 EGEDRM C=CC[C@@H](Nc1ccc(Cc2nnc3n2CCCCC3)cc1)C(=O)[O-] ZINC001588749994 984068604 /nfs/dbraw/zinc/06/86/04/984068604.db2.gz BCIAVKXSOJJQMN-MRXNPFEDSA-N -1 0 340.427 3.037 20 30 EGEDRM C=CCC1(NC(=O)NCc2cc(C(=O)[O-])c(C)n2C)CCCCC1 ZINC001588767047 984127605 /nfs/dbraw/zinc/12/76/05/984127605.db2.gz GDWXFLGKACASPT-UHFFFAOYSA-N -1 0 333.432 3.110 20 30 EGEDRM C=CCC1(NS(=O)(=O)c2cccc(F)c2C(=O)[O-])CCCCC1 ZINC001588769564 984133975 /nfs/dbraw/zinc/13/39/75/984133975.db2.gz YSGQRCLAVLJQFO-UHFFFAOYSA-N -1 0 341.404 3.081 20 30 EGEDRM C=CCCC[C@H](NC(=O)[C@H](CC)O[C@@H]1CCC[C@@H](C)C1)C(=O)[O-] ZINC001588784972 984178959 /nfs/dbraw/zinc/17/89/59/984178959.db2.gz DPCDODKQJXUMBO-WCVJEAGWSA-N -1 0 325.449 3.286 20 30 EGEDRM C=CCCC[C@@H](NC(=O)COc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC001588788947 984194555 /nfs/dbraw/zinc/19/45/55/984194555.db2.gz SITHWWIJJYSSCT-CYBMUJFWSA-N -1 0 345.317 3.010 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1cc(C)n(-c2ccc(C)cc2)n1)C(=O)[O-] ZINC001588792501 984209767 /nfs/dbraw/zinc/20/97/67/984209767.db2.gz IWKLFKPPHYHZJJ-INIZCTEOSA-N -1 0 341.411 3.028 20 30 EGEDRM C=CCCCNC(=O)N[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001588803996 984253425 /nfs/dbraw/zinc/25/34/25/984253425.db2.gz SQAVPKKXNIAQLT-LBPRGKRZSA-N -1 0 330.306 3.254 20 30 EGEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001588832261 984320719 /nfs/dbraw/zinc/32/07/19/984320719.db2.gz AHIUDFXFLYIXGO-UHFFFAOYSA-N -1 0 329.352 3.123 20 30 EGEDRM C=CCN(Cc1cccc([N+](=O)[O-])c1)[C@H](C)c1nc(C(=O)[O-])co1 ZINC001588832378 984322361 /nfs/dbraw/zinc/32/23/61/984322361.db2.gz GUVBXRWKJDVAAW-LLVKDONJSA-N -1 0 331.328 3.030 20 30 EGEDRM C=CCNc1ncc(C(=O)Nc2ccc(C(=O)[O-])cc2OCC)s1 ZINC001588849253 984369466 /nfs/dbraw/zinc/36/94/66/984369466.db2.gz GKTCAPJYKFFNCH-UHFFFAOYSA-N -1 0 347.396 3.090 20 30 EGEDRM CCOC(=O)[C@@H]1C/C(=C/c2ccoc2C(=O)[O-])C(=O)c2ccccc21 ZINC001596567965 984454019 /nfs/dbraw/zinc/45/40/19/984454019.db2.gz DDXYKIFUKYWMEM-HMVFGEFZSA-N -1 0 340.331 3.295 20 30 EGEDRM CCOC(=O)[C@H]1C/C(=C/c2ccoc2C(=O)[O-])C(=O)c2ccccc21 ZINC001596567969 984454081 /nfs/dbraw/zinc/45/40/81/984454081.db2.gz DDXYKIFUKYWMEM-LMRWQKIVSA-N -1 0 340.331 3.295 20 30 EGEDRM CCOC(=O)[C@@H]1C/C(=C\c2cc(C(=O)[O-])co2)C(=O)c2ccccc21 ZINC001596568822 984456885 /nfs/dbraw/zinc/45/68/85/984456885.db2.gz OKJBKAZOIRAORS-AYAUWGRQSA-N -1 0 340.331 3.295 20 30 EGEDRM CCOC(=O)[C@H]1C/C(=C\c2cc(C(=O)[O-])co2)C(=O)c2ccccc21 ZINC001596568823 984456906 /nfs/dbraw/zinc/45/69/06/984456906.db2.gz OKJBKAZOIRAORS-BPLPYTOXSA-N -1 0 340.331 3.295 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)C[C@@H](OCC)C(=C)C ZINC001588881608 984460545 /nfs/dbraw/zinc/46/05/45/984460545.db2.gz CIIPDYDVRRLDCT-OAHLLOKOSA-N -1 0 348.395 3.399 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001588885133 984465821 /nfs/dbraw/zinc/46/58/21/984465821.db2.gz MHSLOWBQPAPYOR-LSDHHAIUSA-N -1 0 330.380 3.464 20 30 EGEDRM C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1 ZINC001588886612 984472976 /nfs/dbraw/zinc/47/29/76/984472976.db2.gz OKKBJYOZTOFBDU-SRCQZFHVSA-N -1 0 331.412 3.355 20 30 EGEDRM C=CCn1ncc2ccc(N[C@@H]3CCCn4nc(C(=O)[O-])cc43)cc21 ZINC001588912515 984551572 /nfs/dbraw/zinc/55/15/72/984551572.db2.gz JIOHVLBZHSMXRY-CQSZACIVSA-N -1 0 337.383 3.064 20 30 EGEDRM C=CCn1ncc2ccc(NC(=O)c3ccccc3CCC(=O)[O-])cc21 ZINC001588913018 984553863 /nfs/dbraw/zinc/55/38/63/984553863.db2.gz VNIWRSIITVNETI-UHFFFAOYSA-N -1 0 349.390 3.492 20 30 EGEDRM C[C@H](CC(=O)[O-])NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC001599887409 984652895 /nfs/dbraw/zinc/65/28/95/984652895.db2.gz IAYOMSIWUAIVPT-GFCCVEGCSA-N -1 0 339.351 3.335 20 30 EGEDRM C[C@H]1Cc2ccccc2N(C(=O)c2ccc(CC#N)cc2)[C@H]1C(=O)[O-] ZINC001599936643 985403838 /nfs/dbraw/zinc/40/38/38/985403838.db2.gz AOYLFSYDPBOSOR-SCLBCKFNSA-N -1 0 334.375 3.045 20 30 EGEDRM C[C@H]1OCC[C@@H]1C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC001594645502 986839092 /nfs/dbraw/zinc/83/90/92/986839092.db2.gz SKQLGBULLCPWJK-KUHUBIRLSA-N -1 0 349.386 3.148 20 30 EGEDRM CCOc1ccc(O)c(/C=N/C[C@](C)(C(=O)[O-])c2ccccc2)c1 ZINC001597130869 986854007 /nfs/dbraw/zinc/85/40/07/986854007.db2.gz YHSYDENRHASDDE-GUBFPNNNSA-N -1 0 327.380 3.252 20 30 EGEDRM C[C@H]1CC[C@@](NC(=O)c2ccc(C(C)(C)C#N)cc2)(C(=O)[O-])CC1 ZINC001589559058 987311809 /nfs/dbraw/zinc/31/18/09/987311809.db2.gz XFNDVBQJTZDDHN-HJGJAMNPSA-N -1 0 328.412 3.251 20 30 EGEDRM CCc1[nH]c(C(=O)N(CC#N)c2ccc(Cl)cc2)c(C)c1C(=O)[O-] ZINC001597355030 987500799 /nfs/dbraw/zinc/50/07/99/987500799.db2.gz XZVQQANIOWQVSB-UHFFFAOYSA-N -1 0 345.786 3.408 20 30 EGEDRM CC(C)(C(=O)[O-])c1cccc(OC(=O)c2ccccc2OCC#N)c1 ZINC001589650255 987597103 /nfs/dbraw/zinc/59/71/03/987597103.db2.gz IFBQPXNTBDTPCL-UHFFFAOYSA-N -1 0 339.347 3.170 20 30 EGEDRM CSc1ccc(NC(=O)N2CCC(C)(C#N)CC2)cc1C(=O)[O-] ZINC001599817071 988445690 /nfs/dbraw/zinc/44/56/90/988445690.db2.gz QIQWZZGFXJISRT-UHFFFAOYSA-N -1 0 333.413 3.264 20 30 EGEDRM C[C@@H](NCc1cccc(C(=O)[O-])c1C#N)c1ccccc1[N+](=O)[O-] ZINC001599842002 988857021 /nfs/dbraw/zinc/85/70/21/988857021.db2.gz XVCUJPGXPXBREF-LLVKDONJSA-N -1 0 325.324 3.015 20 30 EGEDRM C[C@@H]1CN(C(=O)Nc2ccc(C#N)cc2C2CC2)C[C@H]1CC(=O)[O-] ZINC001599859485 989144463 /nfs/dbraw/zinc/14/44/63/989144463.db2.gz KKDMEDQUJOTUDJ-BXUZGUMPSA-N -1 0 327.384 3.010 20 30 EGEDRM CN(C(=O)C[C@@H](CC#N)c1ccccc1)[C@@H](C(=O)[O-])c1ccccc1 ZINC001598006861 990161814 /nfs/dbraw/zinc/16/18/14/990161814.db2.gz BOEJDPUKRLJYEZ-IEBWSBKVSA-N -1 0 336.391 3.358 20 30 EGEDRM CN(C(=O)C[C@@H](CC#N)c1ccccc1)[C@H](C(=O)[O-])c1ccccc1 ZINC001598006863 990161919 /nfs/dbraw/zinc/16/19/19/990161919.db2.gz BOEJDPUKRLJYEZ-MJGOQNOKSA-N -1 0 336.391 3.358 20 30 EGEDRM CN(C)c1ccc(OC(=O)c2ccc(C#N)c(Cl)c2)cc1C(=O)[O-] ZINC001598328015 991347105 /nfs/dbraw/zinc/34/71/05/991347105.db2.gz BBCBOFODQJYBMB-UHFFFAOYSA-N -1 0 344.754 3.195 20 30 EGEDRM CN(CC(C)(C)C#N)[C@H](C(=O)[O-])c1ccccc1Br ZINC001598419754 991754165 /nfs/dbraw/zinc/75/41/65/991754165.db2.gz NDTINITUBCDWNU-LBPRGKRZSA-N -1 0 325.206 3.056 20 30 EGEDRM COc1ccc(N(C#N)Cc2cccc(C(=O)[O-])c2C#N)cc1Cl ZINC001599582538 993571051 /nfs/dbraw/zinc/57/10/51/993571051.db2.gz BZCJVPCBHDMMDZ-UHFFFAOYSA-N -1 0 341.754 3.406 20 30 EGEDRM COc1ccc(NC(=O)c2cc(C#N)ccc2Cl)c(C(=O)[O-])c1 ZINC001599593553 993719195 /nfs/dbraw/zinc/71/91/95/993719195.db2.gz BXZLRMHLKRIBSR-UHFFFAOYSA-N -1 0 330.727 3.171 20 30 EGEDRM C[C@H](NC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1)c1ccc(C#N)cc1 ZINC001593112204 993787133 /nfs/dbraw/zinc/78/71/33/993787133.db2.gz KYMQOWDCVLSOFC-VIFPVBQESA-N -1 0 345.305 3.417 20 30 EGEDRM COc1cccc(C(=O)/C(=C/c2ccc(C(=O)[O-])o2)c2ncc[nH]2)c1 ZINC001599641100 994360319 /nfs/dbraw/zinc/36/03/19/994360319.db2.gz RIVGSMRBRBKERN-UVTDQMKNSA-N -1 0 338.319 3.133 20 30 EGEDRM C[C@H](Nc1ccc(C(=O)[O-])nc1C#N)c1cccc(OC(F)F)c1 ZINC001593364106 995039304 /nfs/dbraw/zinc/03/93/04/995039304.db2.gz WZDUEMWPGVLEOX-VIFPVBQESA-N -1 0 333.294 3.426 20 30 EGEDRM C[C@@H](OC(=O)C1(c2cc(F)cc(C#N)c2)CC1)c1cc(C(=O)[O-])co1 ZINC001593497129 995481476 /nfs/dbraw/zinc/48/14/76/995481476.db2.gz WSZLASILLOBBKS-SNVBAGLBSA-N -1 0 343.310 3.325 20 30 EGEDRM C[C@H](Sc1ccc(C#N)cc1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001593664393 996051187 /nfs/dbraw/zinc/05/11/87/996051187.db2.gz QFKYYLHIMZDFLS-LBPRGKRZSA-N -1 0 340.404 3.053 20 30 EGEDRM C[C@H](Sc1ccccc1C(=O)OCc1cccc(C#N)c1)C(=O)[O-] ZINC001593673658 996086674 /nfs/dbraw/zinc/08/66/74/996086674.db2.gz OEPFCDLRWALNEH-LBPRGKRZSA-N -1 0 341.388 3.480 20 30 EGEDRM CC1(C)CN(c2ccc(C(=O)[O-])nc2C#N)CC[C@@H]1C(F)(F)F ZINC001593947196 997003136 /nfs/dbraw/zinc/00/31/36/997003136.db2.gz QERXLGVJVYXDEP-LBPRGKRZSA-N -1 0 327.306 3.066 20 30 EGEDRM COc1cc(NC(=O)C[C@H](CC#N)c2ccccc2)ccc1C(=O)[O-] ZINC001599430794 997755324 /nfs/dbraw/zinc/75/53/24/997755324.db2.gz ADOVYIHDZACKSY-AWEZNQCLSA-N -1 0 338.363 3.419 20 30 EGEDRM COC(=O)c1ccc(C(C)N=Nc2cccc(F)c2C(=O)[O-])cc1 ZINC001598968300 998464853 /nfs/dbraw/zinc/46/48/53/998464853.db2.gz CJQFBKQQVLXQQP-UHFFFAOYSA-N -1 0 330.315 3.147 20 30 EGEDRM CO[C@H](C(=O)[O-])c1ccccc1OCCCOc1ccc(C#N)cc1 ZINC001599026574 999020492 /nfs/dbraw/zinc/02/04/92/999020492.db2.gz MSHUJRSZVNDWHC-SFHVURJKSA-N -1 0 341.363 3.178 20 30 EGEDRM CC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000048514158 213944482 /nfs/dbraw/zinc/94/44/82/213944482.db2.gz KOXNXBJZNBJVES-QMMMGPOBSA-N -1 0 334.319 3.268 20 30 EGEDRM C=CCCO[C@@H](C)C(=O)N[C@H](CC(=O)[O-])c1cccc2ccccc21 ZINC000263162060 245347529 /nfs/dbraw/zinc/34/75/29/245347529.db2.gz VNCCIFYNYNJQGF-KBXCAEBGSA-N -1 0 341.407 3.453 20 30 EGEDRM C[C@H](C(=O)Nc1nc(C#N)c(C#N)[n-]1)c1ccc(Cl)c(Cl)c1 ZINC000350824978 141267983 /nfs/dbraw/zinc/26/79/83/141267983.db2.gz GLVWOXZAKJLHSF-ZETCQYMHSA-N -1 0 334.166 3.202 20 30 EGEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1ccc(OC2CCC2)c(F)c1 ZINC000175039841 144056747 /nfs/dbraw/zinc/05/67/47/144056747.db2.gz SENGNBQPNFZCLH-UHFFFAOYSA-N -1 0 346.383 3.429 20 30 EGEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(F)c(Cl)c1 ZINC000184769198 144098702 /nfs/dbraw/zinc/09/87/02/144098702.db2.gz VRTHHOIAJYJTSE-UHFFFAOYSA-N -1 0 340.763 3.160 20 30 EGEDRM Cc1cn([C@H](C)c2ccccc2)[nH]c1=NC(=O)c1ccc(C#N)c([O-])c1 ZINC000351775358 144304947 /nfs/dbraw/zinc/30/49/47/144304947.db2.gz QJZIJRKDZYFDML-CQSZACIVSA-N -1 0 346.390 3.052 20 30 EGEDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2)cc1C ZINC000308099070 154136708 /nfs/dbraw/zinc/13/67/08/154136708.db2.gz FNSGUGCUGZXTBY-UHFFFAOYSA-N -1 0 349.343 3.023 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2O)ccc1C#N ZINC000318657048 154159646 /nfs/dbraw/zinc/15/96/46/154159646.db2.gz JAQKSDAOIBPQGV-UHFFFAOYSA-N -1 0 340.763 3.166 20 30 EGEDRM N#Cc1nc(NC(=O)CC2CCC(c3ccccc3)CC2)[n-]c1C#N ZINC000108447623 162082837 /nfs/dbraw/zinc/08/28/37/162082837.db2.gz CRQPMTKGOZPCMQ-UHFFFAOYSA-N -1 0 333.395 3.456 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cnccc2Oc2ccccc2)o1 ZINC000342454980 163884164 /nfs/dbraw/zinc/88/41/64/163884164.db2.gz WHCWFYRFXDTNBT-UHFFFAOYSA-N -1 0 341.348 3.139 20 30 EGEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccnc1C(F)(F)F ZINC000342716418 163949167 /nfs/dbraw/zinc/94/91/67/163949167.db2.gz CAEPCZKPGSFOKE-UHFFFAOYSA-N -1 0 341.314 3.081 20 30 EGEDRM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c2n[nH]cc21 ZINC000355405190 166186851 /nfs/dbraw/zinc/18/68/51/166186851.db2.gz UNKPXSUQMHMMDP-UHFFFAOYSA-N -1 0 346.799 3.197 20 30 EGEDRM COC(=O)c1ccc(Cl)c(/C=C\c2nc(C(=O)[O-])ccc2C#N)c1 ZINC000359522499 167178246 /nfs/dbraw/zinc/17/82/46/167178246.db2.gz FPFOKSBVMRQJSJ-UTCJRWHESA-N -1 0 342.738 3.262 20 30 EGEDRM N#Cc1cccc([C@@H]2CN(C(=O)c3cc(Cl)ccc3O)CCO2)c1 ZINC000367166931 168187722 /nfs/dbraw/zinc/18/77/22/168187722.db2.gz BJYRXRINVMHZMG-KRWDZBQOSA-N -1 0 342.782 3.131 20 30 EGEDRM N#CC(=C([O-])c1c[nH]c(C#N)c1)c1nc2ccccc2n1C(F)F ZINC000181427571 270038784 /nfs/dbraw/zinc/03/87/84/270038784.db2.gz SEJFCTJGVNJXMG-NSHDSACASA-N -1 0 325.278 3.121 20 30 EGEDRM CC(=Cc1ccc([N+](=O)[O-])cc1Cl)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000435336683 270051156 /nfs/dbraw/zinc/05/11/56/270051156.db2.gz PZOKFUMXCXXHEC-VMPITWQZSA-N -1 0 330.731 3.072 20 30 EGEDRM COc1c(C)ccc([N-]S(=O)(=O)c2cccc(C)c2C#N)c1C ZINC000178597722 265327427 /nfs/dbraw/zinc/32/74/27/265327427.db2.gz PMCRAXVJCQQQIK-UHFFFAOYSA-N -1 0 330.409 3.293 20 30 EGEDRM CCCOc1ccc([N-]S(=O)(=O)c2cccc(C)c2C#N)cc1 ZINC000507006271 270059059 /nfs/dbraw/zinc/05/90/59/270059059.db2.gz GJBYPXRSIMILAU-UHFFFAOYSA-N -1 0 330.409 3.456 20 30 EGEDRM CN(C)c1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435477787 267290673 /nfs/dbraw/zinc/29/06/73/267290673.db2.gz DAMUUIXZRMIOJK-UHFFFAOYSA-N -1 0 341.845 3.140 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2cc(C)c([N+](=O)[O-])cc2C)ccc1C#N ZINC000392249298 267360179 /nfs/dbraw/zinc/36/01/79/267360179.db2.gz BXVOQVFKQACNNO-UHFFFAOYSA-N -1 0 345.380 3.193 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2cc(-c3ccccc3)[nH]n2)ccc1C#N ZINC000435724745 268018058 /nfs/dbraw/zinc/01/80/58/268018058.db2.gz XUKOYGICXYTOCW-UHFFFAOYSA-N -1 0 338.392 3.058 20 30 EGEDRM Cc1ncc(-c2ccc([N-]S(=O)(=O)c3ccc(C#N)s3)cc2)o1 ZINC000435483349 268081653 /nfs/dbraw/zinc/08/16/53/268081653.db2.gz KLMPMNSPQFRRAU-UHFFFAOYSA-N -1 0 345.405 3.384 20 30 EGEDRM Cc1noc(-c2ccccc2)c1[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435483485 268095906 /nfs/dbraw/zinc/09/59/06/268095906.db2.gz RPXIGFIVRASODV-UHFFFAOYSA-N -1 0 345.405 3.384 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc3c(cn2)CCCC3)c(Cl)c1 ZINC000519737463 268260328 /nfs/dbraw/zinc/26/03/28/268260328.db2.gz JVBMROHDGGXOGB-UHFFFAOYSA-N -1 0 347.827 3.286 20 30 EGEDRM N#Cc1nc(NC(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)[n-]c1C#N ZINC000175293420 268324053 /nfs/dbraw/zinc/32/40/53/268324053.db2.gz CMCYAYVYHKBSSS-GHMZBOCLSA-N -1 0 346.177 3.202 20 30 EGEDRM CC(C)Oc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1C#N ZINC000436997478 269627339 /nfs/dbraw/zinc/62/73/39/269627339.db2.gz GEIOZWLKHJINDQ-UHFFFAOYSA-N -1 0 341.323 3.212 20 30 EGEDRM N#Cc1ccccc1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000007056900 275117460 /nfs/dbraw/zinc/11/74/60/275117460.db2.gz JQTIYFIQUJBMHI-UHFFFAOYSA-N -1 0 326.299 3.378 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)nc2)s1 ZINC000518471019 312417968 /nfs/dbraw/zinc/41/79/68/312417968.db2.gz UOCTYHMLLYUOHV-UHFFFAOYSA-N -1 0 349.437 3.137 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc3ccc(O)cc32)c(F)c1 ZINC000538705501 314267240 /nfs/dbraw/zinc/26/72/40/314267240.db2.gz VXXNLQAZKQYASZ-UHFFFAOYSA-N -1 0 342.351 3.357 20 30 EGEDRM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(C)c2C#N)cc1C ZINC000539468507 314316026 /nfs/dbraw/zinc/31/60/26/314316026.db2.gz WMSNILLNYUMOIW-UHFFFAOYSA-N -1 0 330.409 3.293 20 30 EGEDRM Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1ccc(F)c(C#N)c1 ZINC000548611375 315026339 /nfs/dbraw/zinc/02/63/39/315026339.db2.gz QLSRXOZZPPVOHC-UHFFFAOYSA-N -1 0 341.367 3.355 20 30 EGEDRM N#Cc1cnc2ccc(Cl)cc2c1N1CCC[C@H](CC(=O)[O-])C1 ZINC000557073810 315494401 /nfs/dbraw/zinc/49/44/01/315494401.db2.gz QRUBQCXCDMVMHA-LLVKDONJSA-N -1 0 329.787 3.451 20 30 EGEDRM N#Cc1ccc(-c2ccc(C(=O)N3CCC(C(=O)[O-])CC3)cc2)s1 ZINC000563436646 316021891 /nfs/dbraw/zinc/02/18/91/316021891.db2.gz OWZKGPKREJKKAF-UHFFFAOYSA-N -1 0 340.404 3.224 20 30 EGEDRM CC(C)c1n[n-]c(=NC2CCC(Oc3ccccc3C#N)CC2)o1 ZINC000570520818 317068437 /nfs/dbraw/zinc/06/84/37/317068437.db2.gz NTZLXHQENWUTCF-UHFFFAOYSA-N -1 0 326.400 3.289 20 30 EGEDRM Cc1[n-][nH]c(=NC(=O)c2c(F)ccc(SCC3CC3)c2F)c1C#N ZINC000577053999 324733143 /nfs/dbraw/zinc/73/31/43/324733143.db2.gz BYZUGYYFTPNUES-UHFFFAOYSA-N -1 0 348.378 3.044 20 30 EGEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000577355672 324791875 /nfs/dbraw/zinc/79/18/75/324791875.db2.gz VKYFARCPUXOLRA-CQSZACIVSA-N -1 0 345.399 3.064 20 30 EGEDRM C=CC[C@@H](CC)NS(=O)(=O)c1ccc(Br)c(F)c1 ZINC000393791153 457468677 /nfs/dbraw/zinc/46/86/77/457468677.db2.gz XZZLVRVYNITMKG-SECBINFHSA-N -1 0 336.226 3.221 20 30 EGEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc2nc(C(F)F)sc2c1 ZINC000416969003 458357897 /nfs/dbraw/zinc/35/78/97/458357897.db2.gz ZPTOVCUXWNBFAW-MRVPVSSYSA-N -1 0 331.369 3.278 20 30 EGEDRM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)[C@@H]3CCCOC3)c2)c1 ZINC000238200207 455258552 /nfs/dbraw/zinc/25/85/52/455258552.db2.gz PRESOBSBYWOFEJ-GOSISDBHSA-N -1 0 349.386 3.150 20 30 EGEDRM N#Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000183392938 455287031 /nfs/dbraw/zinc/28/70/31/455287031.db2.gz MCQSCFQYUWTTDY-UHFFFAOYSA-N -1 0 346.717 3.430 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccc(Br)s2)cc1 ZINC000007056118 453027136 /nfs/dbraw/zinc/02/71/36/453027136.db2.gz UONZHTCLSBHLNB-UHFFFAOYSA-N -1 0 343.227 3.183 20 30 EGEDRM N#CC(=C([O-])c1cnn2cccnc12)c1nc(-c2ccccc2)cs1 ZINC000041522343 453970465 /nfs/dbraw/zinc/97/04/65/453970465.db2.gz BBPZSNVWGOUHNK-ZDUSSCGKSA-N -1 0 345.387 3.343 20 30 EGEDRM Cc1c(C([O-])=C(C#N)c2cc(C)nc(C)n2)cnn1-c1ccc(C)cc1 ZINC000041560638 453972252 /nfs/dbraw/zinc/97/22/52/453972252.db2.gz HRFSALXCHVVSOX-KRWDZBQOSA-N -1 0 345.406 3.386 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2sccc2CC)n1 ZINC000067897250 453978943 /nfs/dbraw/zinc/97/89/43/453978943.db2.gz DWAXSBQHMXNUCJ-JTQLQIEISA-N -1 0 334.422 3.434 20 30 EGEDRM O=C(C=Cc1ccccc1[N+](=O)[O-])[N-]S(=O)(=O)c1cccs1 ZINC000042244224 454002581 /nfs/dbraw/zinc/00/25/81/454002581.db2.gz JWFYPRIKXYZSQE-BQYQJAHWSA-N -1 0 338.366 3.015 20 30 EGEDRM Cc1cccc(C=CC(=O)[N-]S(=O)(=O)Cc2ccc(C#N)cc2)c1 ZINC000042308150 454004646 /nfs/dbraw/zinc/00/46/46/454004646.db2.gz ZNQYFJHNWMHNJV-MDZDMXLPSA-N -1 0 340.404 3.366 20 30 EGEDRM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(F)cc2OCC2CC2)c1 ZINC000076937942 454050891 /nfs/dbraw/zinc/05/08/91/454050891.db2.gz WKNFIUVJNRBXFF-UHFFFAOYSA-N -1 0 346.383 3.287 20 30 EGEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(OC)cc1C ZINC000057125662 454104055 /nfs/dbraw/zinc/10/40/55/454104055.db2.gz XLWFTJQHCUDWSD-UHFFFAOYSA-N -1 0 346.408 3.075 20 30 EGEDRM Cc1cccc(C([O-])=C(C#N)c2cnc3ccccc3n2)c1[N+](=O)[O-] ZINC000190923077 455406640 /nfs/dbraw/zinc/40/66/40/455406640.db2.gz CQKAWDYKMRNNNS-CYBMUJFWSA-N -1 0 332.319 3.337 20 30 EGEDRM C[C@@H](CC(=O)[N-]S(=O)(=O)c1c(Cl)nc2ccccn21)C1CC1 ZINC000058106642 454164006 /nfs/dbraw/zinc/16/40/06/454164006.db2.gz ZRHGDAIRMKUPFZ-VIFPVBQESA-N -1 0 341.820 3.069 20 30 EGEDRM COCCN(CCC#N)C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000094106541 454187256 /nfs/dbraw/zinc/18/72/56/454187256.db2.gz WZEFQLJKTCSASO-UHFFFAOYSA-N -1 0 332.787 3.201 20 30 EGEDRM C[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000071883909 454241357 /nfs/dbraw/zinc/24/13/57/454241357.db2.gz XOGDRPKBPMDNCO-XPUUQOCRSA-N -1 0 325.283 3.146 20 30 EGEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccccc1OC(F)F ZINC000073353847 454427909 /nfs/dbraw/zinc/42/79/09/454427909.db2.gz NZCFANJQTCRZOB-UHFFFAOYSA-N -1 0 338.335 3.269 20 30 EGEDRM O=C([N-]S(=O)(=O)c1cccs1)C1C2CC3CC(C2)CC1C3 ZINC000048427984 454488081 /nfs/dbraw/zinc/48/80/81/454488081.db2.gz IJHZHCTVMUDYEZ-UHFFFAOYSA-N -1 0 325.455 3.466 20 30 EGEDRM O=C([N-]S(=O)(=O)c1ccccc1Br)C1CCCC1 ZINC000048519565 454495759 /nfs/dbraw/zinc/49/57/59/454495759.db2.gz NMEOLNVGPNQXAG-UHFFFAOYSA-N -1 0 332.219 3.285 20 30 EGEDRM COc1ccc(C(=O)[N-]S(=O)(=O)C=Cc2ccccc2)c(OC)c1 ZINC000048529438 454496230 /nfs/dbraw/zinc/49/62/30/454496230.db2.gz DUZOYSGSFIELHW-KHPPLWFESA-N -1 0 347.392 3.009 20 30 EGEDRM C[C@@H](C#N)CN(C)C(=O)c1cc(Br)cc(Cl)c1[O-] ZINC000080753182 454627301 /nfs/dbraw/zinc/62/73/01/454627301.db2.gz GAHYKRVHIHIFQT-ZETCQYMHSA-N -1 0 331.597 3.040 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2cnc(-c3ccccn3)s2)n1 ZINC000136092946 454719499 /nfs/dbraw/zinc/71/94/99/454719499.db2.gz SSPJQFRCTJJNPK-JTQLQIEISA-N -1 0 326.406 3.460 20 30 EGEDRM [O-]c1c(Cl)cc(Cl)cc1/C=N/C[C@H]1COC2(CCOCC2)O1 ZINC000182236249 455469055 /nfs/dbraw/zinc/46/90/55/455469055.db2.gz VEZJIKGZCUCWMB-KXKLRXOYSA-N -1 0 346.210 3.040 20 30 EGEDRM N#CC(=C([O-])c1csc([C@@H]2CCCO2)n1)c1nc2ccccc2[nH]1 ZINC000165270621 454896768 /nfs/dbraw/zinc/89/67/68/454896768.db2.gz QVKDTVQNMQNPPK-YGRLFVJLSA-N -1 0 338.392 3.361 20 30 EGEDRM CC(C)n1cc(C#N)c([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)n1 ZINC000160659453 455484900 /nfs/dbraw/zinc/48/49/00/455484900.db2.gz GWSYJAKSQBEMKS-UHFFFAOYSA-N -1 0 344.440 3.015 20 30 EGEDRM Cc1ccc([N-]S(=O)(=O)c2ccccc2C#N)cc1OC(F)F ZINC000114674223 454967728 /nfs/dbraw/zinc/96/77/28/454967728.db2.gz MAWMEPFZDJKFDI-UHFFFAOYSA-N -1 0 338.335 3.269 20 30 EGEDRM C[C@H]1CCCC[C@H]1NC(=O)Cn1[n-]c(C(C)(C)C)c(CCC#N)c1=O ZINC000151841967 455038559 /nfs/dbraw/zinc/03/85/59/455038559.db2.gz WIAPULFYFFGNFR-DZGCQCFKSA-N -1 0 346.475 3.037 20 30 EGEDRM CC(C)Oc1cccc([C@@H](O)C/N=C/c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000116608558 455063131 /nfs/dbraw/zinc/06/31/31/455063131.db2.gz PGUWGRXDQBPXIQ-JHBOHYQCSA-N -1 0 344.367 3.240 20 30 EGEDRM C=CCC[C@H](NC(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1)c1ccccc1 ZINC000626757549 460659906 /nfs/dbraw/zinc/65/99/06/460659906.db2.gz XLUJMUMBJOFTSC-UAGQMJEPSA-N -1 0 330.428 3.446 20 30 EGEDRM COc1ccc(-c2cc(C([O-])=C(C#N)c3nc(C)cs3)n[nH]2)cc1 ZINC000129979471 455136196 /nfs/dbraw/zinc/13/61/96/455136196.db2.gz BGWOKFBIJSGIHV-ZDUSSCGKSA-N -1 0 338.392 3.340 20 30 EGEDRM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ncccc1Cl ZINC000180194383 455147126 /nfs/dbraw/zinc/14/71/26/455147126.db2.gz XUEZBYMGPQEHIY-UHFFFAOYSA-N -1 0 328.180 3.061 20 30 EGEDRM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000182992293 455205697 /nfs/dbraw/zinc/20/56/97/455205697.db2.gz OIIHHXRKVSKKBZ-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM CC(C)Cc1ccc(S(=O)(=O)[N-]c2nn(C(C)C)cc2C#N)cc1 ZINC000160668249 455485638 /nfs/dbraw/zinc/48/56/38/455485638.db2.gz MUFRUSNSLUIPBD-UHFFFAOYSA-N -1 0 346.456 3.335 20 30 EGEDRM C=CCC(CC=C)C(=O)N[C@@H](CC(=O)[O-])c1ccc(OC)c(OC)c1 ZINC000272055427 455834014 /nfs/dbraw/zinc/83/40/14/455834014.db2.gz VKDYEUHLHWLSPD-HNNXBMFYSA-N -1 0 347.411 3.104 20 30 EGEDRM Cc1cnn(-c2ccc(NC(=O)c3ccc(C#N)c([O-])c3)cc2F)c1 ZINC000188447710 456065112 /nfs/dbraw/zinc/06/51/12/456065112.db2.gz LZTDCEQZQXZOSR-UHFFFAOYSA-N -1 0 336.326 3.149 20 30 EGEDRM C=CCOC[C@@H](NC(=O)c1ccccc1SCC=C(C)C)C(=O)[O-] ZINC000262897735 456066716 /nfs/dbraw/zinc/06/67/16/456066716.db2.gz DLVVOHOITKKQEG-OAHLLOKOSA-N -1 0 349.452 3.131 20 30 EGEDRM C=CCC[C@H](NC(=O)[C@@H](C)Cc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000262905588 456067884 /nfs/dbraw/zinc/06/78/84/456067884.db2.gz MSFQQAAFNVIHOR-FZMZJTMJSA-N -1 0 343.345 3.420 20 30 EGEDRM N#Cc1cnc2ccc(OC(F)F)cc2c1N1CCC[C@@H](C(=O)[O-])C1 ZINC000263385160 456138501 /nfs/dbraw/zinc/13/85/01/456138501.db2.gz DOTVNOUIJMZUAE-SNVBAGLBSA-N -1 0 347.321 3.009 20 30 EGEDRM C=CC[C@@H](C)NC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000340441702 456464326 /nfs/dbraw/zinc/46/43/26/456464326.db2.gz QPEXXTDWEUHJGH-SNVBAGLBSA-N -1 0 339.317 3.291 20 30 EGEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1cc(Cl)cc(Br)c1 ZINC000308352291 456571910 /nfs/dbraw/zinc/57/19/10/456571910.db2.gz MISKAESPQMIDRV-SNVBAGLBSA-N -1 0 337.626 3.146 20 30 EGEDRM CCc1c([N-]S(=O)(=O)c2ccccc2C#N)cnn1CCC(C)C ZINC000276900593 456615149 /nfs/dbraw/zinc/61/51/49/456615149.db2.gz LOMVBRNIEXCZDQ-UHFFFAOYSA-N -1 0 346.456 3.164 20 30 EGEDRM CCOc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2OC)ccc1C ZINC000340726585 456651650 /nfs/dbraw/zinc/65/16/50/456651650.db2.gz QPTGDVGSINOSBG-UHFFFAOYSA-N -1 0 346.408 3.075 20 30 EGEDRM Cc1nsc(N2CCN(Cc3cccc(Cl)c3[O-])CC2)c1C#N ZINC000291477870 456656075 /nfs/dbraw/zinc/65/60/75/456656075.db2.gz FNYYUZDYJSJPNW-UHFFFAOYSA-N -1 0 348.859 3.004 20 30 EGEDRM C[C@H](COCC(F)(F)F)/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000299313430 456656424 /nfs/dbraw/zinc/65/64/24/456656424.db2.gz VOVRHSRVHPYJBG-PMGBEOPBSA-N -1 0 340.685 3.340 20 30 EGEDRM Cc1c(Br)cccc1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000340820251 456702393 /nfs/dbraw/zinc/70/23/93/456702393.db2.gz LFGZNOSNCRRVAV-UHFFFAOYSA-N -1 0 341.186 3.023 20 30 EGEDRM CSc1ccc(C([O-])=C(C#N)c2cc(C)nc(C)n2)cc1[N+](=O)[O-] ZINC000338332634 456774537 /nfs/dbraw/zinc/77/45/37/456774537.db2.gz OORZXCYQLOYJQS-LBPRGKRZSA-N -1 0 342.380 3.214 20 30 EGEDRM Cc1ncncc1C([O-])=C(C#N)c1nc2ccccc2n1C(F)F ZINC000338954453 456874737 /nfs/dbraw/zinc/87/47/37/456874737.db2.gz ZKTPUVHUHGAILC-SNVBAGLBSA-N -1 0 327.294 3.020 20 30 EGEDRM CN(C)c1cc(C#N)cc(C([O-])=C(C#N)c2nc3ccccc3o2)c1 ZINC000344950514 456875074 /nfs/dbraw/zinc/87/50/74/456875074.db2.gz MKASVYWELSKAEX-OAHLLOKOSA-N -1 0 330.347 3.256 20 30 EGEDRM CC(C)(CCC#N)C[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000344997223 456891278 /nfs/dbraw/zinc/89/12/78/456891278.db2.gz OYJUOTPQJBWBGO-UHFFFAOYSA-N -1 0 336.791 3.226 20 30 EGEDRM N#Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc2ncccc2c1 ZINC000353795680 456910020 /nfs/dbraw/zinc/91/00/20/456910020.db2.gz QCYOVEVDUGDQJS-UHFFFAOYSA-N -1 0 327.340 3.046 20 30 EGEDRM N#CCCCC(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000362667078 457035333 /nfs/dbraw/zinc/03/53/33/457035333.db2.gz QYEWIAGEWJETRM-UHFFFAOYSA-N -1 0 343.408 3.120 20 30 EGEDRM CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2cncc(Cl)c2)cc1 ZINC000350281545 457173495 /nfs/dbraw/zinc/17/34/95/457173495.db2.gz ZAQAWZBOCGYPKX-UHFFFAOYSA-N -1 0 335.816 3.337 20 30 EGEDRM N#CCC[C@@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000356806594 457176077 /nfs/dbraw/zinc/17/60/77/457176077.db2.gz TZRCZMSTFLIHEV-MRXNPFEDSA-N -1 0 325.324 3.075 20 30 EGEDRM Cc1nc(C)c(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)nc1C ZINC000342332580 457241874 /nfs/dbraw/zinc/24/18/74/457241874.db2.gz JRJYDOYEWJNCMO-AWEZNQCLSA-N -1 0 349.419 3.410 20 30 EGEDRM C=C(CNC(=O)c1nn(-c2ccc(F)cc2)cc1[O-])c1ccccc1 ZINC000360225658 457295881 /nfs/dbraw/zinc/29/58/81/457295881.db2.gz LNVZCFYOUTYCPT-UHFFFAOYSA-N -1 0 337.354 3.160 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(C)c(C)s2)n1 ZINC000354657050 457301056 /nfs/dbraw/zinc/30/10/56/457301056.db2.gz PBSTUICUIWZEFZ-SNVBAGLBSA-N -1 0 334.422 3.488 20 30 EGEDRM CC(C)(C#N)CNC(=O)N=c1[n-]nc(-c2cc3ccccc3o2)s1 ZINC000351585837 457305463 /nfs/dbraw/zinc/30/54/63/457305463.db2.gz BENBJKOBLGHQJI-UHFFFAOYSA-N -1 0 341.396 3.044 20 30 EGEDRM CCC(CC)n1ncc(C([O-])=C(C#N)c2cc(C)nc(C)n2)c1C ZINC000339886601 457312536 /nfs/dbraw/zinc/31/25/36/457312536.db2.gz XLUUBDLJRKQYSX-HNNXBMFYSA-N -1 0 325.416 3.450 20 30 EGEDRM Cc1c(Cl)cc([N-]S(=O)(=O)c2cncc(C#N)c2)cc1Cl ZINC000357116071 457331361 /nfs/dbraw/zinc/33/13/61/457331361.db2.gz BBYBIKGPIUTRSV-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM N#CC(=C([O-])c1c[nH]nc1-c1ccccn1)c1nc2ccccc2o1 ZINC000355061844 457340373 /nfs/dbraw/zinc/34/03/73/457340373.db2.gz QKQQELSQKGTPTN-LLVKDONJSA-N -1 0 329.319 3.103 20 30 EGEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3cncnc3)n2)cc1 ZINC000355229325 457350030 /nfs/dbraw/zinc/35/00/30/457350030.db2.gz NOMIKOVOIOZEEG-CQSZACIVSA-N -1 0 336.376 3.099 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(C(C)=O)cs2)n1 ZINC000355243026 457350278 /nfs/dbraw/zinc/35/02/78/457350278.db2.gz RXDWQJRUFWBMTM-JTQLQIEISA-N -1 0 348.405 3.074 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nc3c(cccc3Cl)s2)o1 ZINC000342571692 457371622 /nfs/dbraw/zinc/37/16/22/457371622.db2.gz DVQZXDPGJYIRQA-UHFFFAOYSA-N -1 0 339.785 3.215 20 30 EGEDRM CC(C)(C#N)c1ccc(C(=O)Nc2ccc(-c3nc(=O)o[n-]3)cc2)cc1 ZINC000355551783 457387068 /nfs/dbraw/zinc/38/70/68/457387068.db2.gz ZGIXIEQMHBZOTI-UHFFFAOYSA-N -1 0 348.362 3.083 20 30 EGEDRM Cc1[n-][nH]c(=NC(=O)c2ccccc2N(C)c2ccccc2)c1C#N ZINC000357255267 457403580 /nfs/dbraw/zinc/40/35/80/457403580.db2.gz JNHWMNXPRFWVGL-UHFFFAOYSA-N -1 0 331.379 3.032 20 30 EGEDRM N#CCc1ccccc1S(=O)(=O)Nc1cccc(-c2ncco2)c1 ZINC000355872519 457426595 /nfs/dbraw/zinc/42/65/95/457426595.db2.gz YCZWWWSNKVECTD-UHFFFAOYSA-N -1 0 339.376 3.208 20 30 EGEDRM C[C@H](NC(=O)N=c1cccn[n-]1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000364687855 457673991 /nfs/dbraw/zinc/67/39/91/457673991.db2.gz QWRRHPVOBCKMTJ-AWEZNQCLSA-N -1 0 343.390 3.320 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc3cccnc32)cc1F ZINC000427103066 457943853 /nfs/dbraw/zinc/94/38/53/457943853.db2.gz WICLYZAWSLOKLJ-UHFFFAOYSA-N -1 0 327.340 3.046 20 30 EGEDRM CN(C)c1cc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)ccn1 ZINC000358369118 457960532 /nfs/dbraw/zinc/96/05/32/457960532.db2.gz ZAECSQJUMFQQPB-CQSZACIVSA-N -1 0 349.419 3.156 20 30 EGEDRM COc1cc(C)cnc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000362132827 458032134 /nfs/dbraw/zinc/03/21/34/458032134.db2.gz DLMJXGQZYDVTNP-NSHDSACASA-N -1 0 335.285 3.303 20 30 EGEDRM CCOc1ncccc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000362171598 458038610 /nfs/dbraw/zinc/03/86/10/458038610.db2.gz LIJWLEZNPMGHOF-LBPRGKRZSA-N -1 0 335.285 3.384 20 30 EGEDRM Cn1nc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)cc1C1CC1 ZINC000362178673 458040450 /nfs/dbraw/zinc/04/04/50/458040450.db2.gz DSMQKKFSGGKWBS-NSHDSACASA-N -1 0 334.301 3.201 20 30 EGEDRM C=CC[C@H]1N(C(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)CCCC1(C)C ZINC000447621314 458323161 /nfs/dbraw/zinc/32/31/61/458323161.db2.gz ULCCJTDBLHVRLT-OAHLLOKOSA-N -1 0 341.411 3.237 20 30 EGEDRM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cc4ccccc4[nH]c3=O)nc1-2 ZINC000429573214 458348323 /nfs/dbraw/zinc/34/83/23/458348323.db2.gz YEWGJDYBEORCSO-CYBMUJFWSA-N -1 0 343.346 3.010 20 30 EGEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1cc2sc(C)nc2cc1Cl ZINC000416964500 458358737 /nfs/dbraw/zinc/35/87/37/458358737.db2.gz SOINNIHRIFXNTB-QMMMGPOBSA-N -1 0 329.834 3.302 20 30 EGEDRM C=C(C)COCCN=c1[n-]c(C(F)(F)F)c(Br)s1 ZINC000418913910 458377386 /nfs/dbraw/zinc/37/73/86/458377386.db2.gz YEJCKYGHOHEUBD-UHFFFAOYSA-N -1 0 345.184 3.351 20 30 EGEDRM C=C(C)COCCNC(=O)c1cc(Cl)cc(Br)c1[O-] ZINC000436957004 458413196 /nfs/dbraw/zinc/41/31/96/458413196.db2.gz QVFRMKINZDNTOH-UHFFFAOYSA-N -1 0 348.624 3.131 20 30 EGEDRM C=CCC[C@H](NC(=O)CCc1ccc(-c2ccccc2)o1)C(=O)[O-] ZINC000448998153 458418032 /nfs/dbraw/zinc/41/80/32/458418032.db2.gz WAWJRONQJNRCFF-INIZCTEOSA-N -1 0 327.380 3.415 20 30 EGEDRM CCSc1nccnc1C([O-])=C(C#N)c1cnc2ccccc2n1 ZINC000430600734 458469216 /nfs/dbraw/zinc/46/92/16/458469216.db2.gz IEQWFCUTRXQUPO-LLVKDONJSA-N -1 0 335.392 3.022 20 30 EGEDRM C=CCN=c1[n-]nc(Sc2cc(C)c([N+](=O)[O-])cc2F)s1 ZINC000461718788 458568740 /nfs/dbraw/zinc/56/87/40/458568740.db2.gz OFGRBVIHOZVEPW-UHFFFAOYSA-N -1 0 326.378 3.065 20 30 EGEDRM CCCc1nc(=NC(=O)N[C@H](CCCC#N)c2ccccc2)s[n-]1 ZINC000455367461 458595158 /nfs/dbraw/zinc/59/51/58/458595158.db2.gz AOERSRVCRZWQSW-CQSZACIVSA-N -1 0 343.456 3.469 20 30 EGEDRM N#Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000546794722 458676520 /nfs/dbraw/zinc/67/65/20/458676520.db2.gz CVTYCARFFIADGN-UHFFFAOYSA-N -1 0 348.811 3.337 20 30 EGEDRM C=CCn1c(-c2ccc(C)c(F)c2)n[n-]c1=Nc1c(C)n[nH]c1C ZINC000515020499 458804707 /nfs/dbraw/zinc/80/47/07/458804707.db2.gz WSLJMGFDXNZICU-UHFFFAOYSA-N -1 0 326.379 3.084 20 30 EGEDRM C=CCN(CC1CCCCC1)C(=O)N=c1nc([C@@H](C)OC)[n-]s1 ZINC000515922029 458812985 /nfs/dbraw/zinc/81/29/85/458812985.db2.gz ODMCWMQZZXQKFN-GFCCVEGCSA-N -1 0 338.477 3.268 20 30 EGEDRM Cc1cc2cc[nH]c2cc1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000548030472 458825832 /nfs/dbraw/zinc/82/58/32/458825832.db2.gz SKFUZXIBFVUMJX-UHFFFAOYSA-N -1 0 329.356 3.288 20 30 EGEDRM CC(C)(CC(=O)[O-])CC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000443034916 459076314 /nfs/dbraw/zinc/07/63/14/459076314.db2.gz SOHAGQLEKIRVMH-UHFFFAOYSA-N -1 0 344.289 3.286 20 30 EGEDRM CSC[C@H](C)NS(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC000594754450 459151973 /nfs/dbraw/zinc/15/19/73/459151973.db2.gz RDRGHCNWWYRHQY-VIFPVBQESA-N -1 0 340.495 3.111 20 30 EGEDRM N#CC(=C([O-])c1cn2c(n1)CCCC2)c1nc(-c2ccncc2)cs1 ZINC000578449928 459202404 /nfs/dbraw/zinc/20/24/04/459202404.db2.gz JIDPLXBKHRZMON-ZDUSSCGKSA-N -1 0 349.419 3.228 20 30 EGEDRM CC(C)CCc1ccc([N-]S(=O)(=O)c2ccc(C#N)nc2)cc1 ZINC000522274459 459232735 /nfs/dbraw/zinc/23/27/35/459232735.db2.gz VNSDRXGGFNTRFS-UHFFFAOYSA-N -1 0 329.425 3.343 20 30 EGEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2nnc3ccccc3n2)s1 ZINC000578807836 459239114 /nfs/dbraw/zinc/23/91/14/459239114.db2.gz DFFDWMNAZUWFEE-SNVBAGLBSA-N -1 0 337.408 3.269 20 30 EGEDRM C=CCN(C(=O)Nc1ccc(C#N)cc1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000582463802 459368723 /nfs/dbraw/zinc/36/87/23/459368723.db2.gz DUVOMLZBFWROBL-SFHVURJKSA-N -1 0 349.390 3.274 20 30 EGEDRM O=C([O-])[C@H]1CCCCN1C(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC000539574203 459377301 /nfs/dbraw/zinc/37/73/01/459377301.db2.gz QBBBXXNVBSYQMA-LJQANCHMSA-N -1 0 333.387 3.166 20 30 EGEDRM C=CCOc1cccc(CN=c2[n-]nc(Cc3cccc(F)c3)o2)c1 ZINC000539692487 459378260 /nfs/dbraw/zinc/37/82/60/459378260.db2.gz VOLDMVKHBNRESS-UHFFFAOYSA-N -1 0 339.370 3.398 20 30 EGEDRM C=CC[C@H](CO)CN=c1[n-]c(-c2cc(Cl)cc(Cl)c2)no1 ZINC000540349626 459380548 /nfs/dbraw/zinc/38/05/48/459380548.db2.gz CUAKKXRYRNYYSB-VIFPVBQESA-N -1 0 328.199 3.062 20 30 EGEDRM C=CCOc1ccccc1CN=c1[n-]nc(Cc2cccc(F)c2)o1 ZINC000540792340 459387090 /nfs/dbraw/zinc/38/70/90/459387090.db2.gz WQDYQNPSXMMCOG-UHFFFAOYSA-N -1 0 339.370 3.398 20 30 EGEDRM C=CCN(C(=O)c1nn(-c2cccc(C(C)C)c2)cc1[O-])C1CC1 ZINC000497596545 459544202 /nfs/dbraw/zinc/54/42/02/459544202.db2.gz FXYWXNJLVBRWNG-UHFFFAOYSA-N -1 0 325.412 3.492 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)Nc2cc(F)ccc2Cl)cc1F ZINC000562371478 459548492 /nfs/dbraw/zinc/54/84/92/459548492.db2.gz PFKKOBYJCGXJCH-UHFFFAOYSA-N -1 0 328.727 3.291 20 30 EGEDRM C=CCSCCNC(=O)N(CC(=O)[O-])[C@@H](CC)c1ccccc1 ZINC000572100004 459576396 /nfs/dbraw/zinc/57/63/96/459576396.db2.gz JQROOZURXJRJAS-HNNXBMFYSA-N -1 0 336.457 3.153 20 30 EGEDRM COc1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cc1[N+](=O)[O-] ZINC000592398031 459592025 /nfs/dbraw/zinc/59/20/25/459592025.db2.gz XXOZGPRDQDCFBR-NSHDSACASA-N -1 0 343.364 3.427 20 30 EGEDRM C[S@](=O)Cc1cccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)c1 ZINC000592399093 459592387 /nfs/dbraw/zinc/59/23/87/459592387.db2.gz MMGOOGYXWQMNBS-FATZIPQQSA-N -1 0 344.461 3.389 20 30 EGEDRM Cc1cc(F)cc2c1ncc(C#N)c2N1CCC(C)(C(=O)[O-])CC1 ZINC000592420051 459597507 /nfs/dbraw/zinc/59/75/07/459597507.db2.gz ZDHCWQFJUVXWIX-UHFFFAOYSA-N -1 0 327.359 3.245 20 30 EGEDRM C=C(C)[C@@H]1OCC[C@H]1CNc1nc(C)nc2sc(C(=O)[O-])c(C)c21 ZINC000573254038 459650067 /nfs/dbraw/zinc/65/00/67/459650067.db2.gz OBYZVFQFFYEEQZ-AAEUAGOBSA-N -1 0 347.440 3.399 20 30 EGEDRM N#CC(=C([O-])c1cccc(C(N)=O)c1)c1nc2cc(F)ccc2s1 ZINC000592973609 459726334 /nfs/dbraw/zinc/72/63/34/459726334.db2.gz CGPYWGVZSLQBQP-LBPRGKRZSA-N -1 0 339.351 3.024 20 30 EGEDRM N#CCCC[C@H](NC(=O)N1CCC[C@@H](CC(=O)[O-])C1)c1ccccc1 ZINC000564713492 459776035 /nfs/dbraw/zinc/77/60/35/459776035.db2.gz QTFMEAPFRJMURU-RDJZCZTQSA-N -1 0 343.427 3.318 20 30 EGEDRM COC(=O)c1cncc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)c1 ZINC000574147242 459784241 /nfs/dbraw/zinc/78/42/41/459784241.db2.gz PADZCKBHXXFXCQ-LBPRGKRZSA-N -1 0 343.408 3.112 20 30 EGEDRM C=C(C)COc1cccc(NC(=O)N2CC[C@H](C)C[C@H]2C(=O)[O-])c1 ZINC000574389118 459812511 /nfs/dbraw/zinc/81/25/11/459812511.db2.gz VCQQCMXIFOIWQZ-BBRMVZONSA-N -1 0 332.400 3.359 20 30 EGEDRM C=CCSc1ccccc1NC(=O)CN1C[C@@H](C(=O)[O-])CC[C@H]1C ZINC000566219468 459825019 /nfs/dbraw/zinc/82/50/19/459825019.db2.gz DBDOAKULMZPRRQ-KGLIPLIRSA-N -1 0 348.468 3.088 20 30 EGEDRM CC1(C)CCCc2cc(C#N)c(N3CCC[C@@H](CC(=O)[O-])C3)nc21 ZINC000576210796 460092268 /nfs/dbraw/zinc/09/22/68/460092268.db2.gz YBXJZHGUVPYMHD-ZDUSSCGKSA-N -1 0 327.428 3.258 20 30 EGEDRM N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000618900854 460214785 /nfs/dbraw/zinc/21/47/85/460214785.db2.gz ISWMKPGBNXSZLI-HNNXBMFYSA-N -1 0 330.746 3.474 20 30 EGEDRM N#C[C@H](c1ccccc1)N1CCN(Cc2cc(O)ccc2Cl)CC1 ZINC000599330061 460230359 /nfs/dbraw/zinc/23/03/59/460230359.db2.gz USVZKEHVNGIZCV-LJQANCHMSA-N -1 0 341.842 3.428 20 30 EGEDRM Cc1ccc(Oc2ccc(NC(=O)c3ccc(C#N)c([O-])c3)cc2)nn1 ZINC000615431103 460326674 /nfs/dbraw/zinc/32/66/74/460326674.db2.gz XGANVYZXZZCQOT-UHFFFAOYSA-N -1 0 346.346 3.407 20 30 EGEDRM CCn1cc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)c(C)n1 ZINC000626332689 460483334 /nfs/dbraw/zinc/48/33/34/460483334.db2.gz AKULHFBNQASDOJ-LLVKDONJSA-N -1 0 328.372 3.450 20 30 EGEDRM Cc1cccc(C2(C(=O)N=c3[nH][n-]c(C4CC4)c3C#N)CCCC2)c1 ZINC000601735379 460885924 /nfs/dbraw/zinc/88/59/24/460885924.db2.gz BOMCHEJRTJBPMY-UHFFFAOYSA-N -1 0 334.423 3.340 20 30 EGEDRM C=CC[C@@H]1CCCN(C(=O)c2nn(-c3cc(C)ccc3F)cc2[O-])C1 ZINC000617779454 460974895 /nfs/dbraw/zinc/97/48/95/460974895.db2.gz BBIBMSOPSRNENS-CQSZACIVSA-N -1 0 343.402 3.454 20 30 EGEDRM C=CC[C@H]1CCCN(C(=O)c2nn(-c3ccc(OC)cc3)cc2[O-])C1 ZINC000617782867 460975857 /nfs/dbraw/zinc/97/58/57/460975857.db2.gz OAWSZLDNDVRIOV-AWEZNQCLSA-N -1 0 341.411 3.015 20 30 EGEDRM C=C(C)C[C@H](NC(=O)[C@@H](C)Sc1ccccc1Cl)C(=O)[O-] ZINC000630319240 461093851 /nfs/dbraw/zinc/09/38/51/461093851.db2.gz WISXTHQCSGOHAB-PWSUYJOCSA-N -1 0 327.833 3.356 20 30 EGEDRM C=C(C)C[C@H](NC(=O)c1ccc(OCCCC)c(OC)c1)C(=O)[O-] ZINC000630318835 461094481 /nfs/dbraw/zinc/09/44/81/461094481.db2.gz MQVNDOXCOUVJKO-AWEZNQCLSA-N -1 0 335.400 3.023 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)c1ccc(OCCCC)c(OC)c1)C(=O)[O-] ZINC000630318836 461094512 /nfs/dbraw/zinc/09/45/12/461094512.db2.gz MQVNDOXCOUVJKO-CQSZACIVSA-N -1 0 335.400 3.023 20 30 EGEDRM C=CC[C@H]1CCCN(C(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)C1 ZINC000659411890 461335532 /nfs/dbraw/zinc/33/55/32/461335532.db2.gz OWYUTPPZIKHUFE-HNAYVOBHSA-N -1 0 330.428 3.027 20 30 EGEDRM C[C@@H]1CCC[C@H](OCCCCCC(=O)Nc2nc(C#N)c(C#N)[n-]2)C1 ZINC000153482646 533879935 /nfs/dbraw/zinc/87/99/35/533879935.db2.gz DLLUMUZNZOUIKN-KGLIPLIRSA-N -1 0 343.431 3.247 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2ccc(-c3ccccc3F)o2)C(=O)O1 ZINC000023990223 520852129 /nfs/dbraw/zinc/85/21/29/520852129.db2.gz KBQLHJXEGQPKSS-JHTBKMLMSA-N -1 0 340.306 3.314 20 30 EGEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000171750631 535696141 /nfs/dbraw/zinc/69/61/41/535696141.db2.gz KXHHTVJOGZYFRH-UHFFFAOYSA-N -1 0 334.372 3.205 20 30 EGEDRM COc1cccc([C@H](C)C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000738093574 574716760 /nfs/dbraw/zinc/71/67/60/574716760.db2.gz XFLUAFMULLVADJ-YVEFUNNKSA-N -1 0 339.347 3.039 20 30 EGEDRM Cc1ccc(N(CCC#N)C(=O)CSC[C@@H](C)C(=O)[O-])cc1C ZINC000738609085 574964164 /nfs/dbraw/zinc/96/41/64/574964164.db2.gz XDQNUNBSPKWUPP-CQSZACIVSA-N -1 0 334.441 3.004 20 30 EGEDRM C#CCOc1ccc([N-]S(=O)(=O)c2cc(F)ccc2Cl)cc1 ZINC000730996306 575043052 /nfs/dbraw/zinc/04/30/52/575043052.db2.gz LJECEGUZXDFQAG-UHFFFAOYSA-N -1 0 339.775 3.292 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@@H](C)c2ccccc2F)n1 ZINC000731390135 575071826 /nfs/dbraw/zinc/07/18/26/575071826.db2.gz LDRVQOYHBYVROD-WCQYABFASA-N -1 0 346.383 3.114 20 30 EGEDRM O=C1Nc2c(cc(Cl)cc2Cl)C1=N[N-]c1nccnc1Cl ZINC000733078681 575305768 /nfs/dbraw/zinc/30/57/68/575305768.db2.gz IUVKIMFONIHJMM-UHFFFAOYSA-N -1 0 342.573 3.205 20 30 EGEDRM COc1cc(/C=C\C(=O)c2sccc2C)ccc1OCC(=O)[O-] ZINC000733749201 575388068 /nfs/dbraw/zinc/38/80/68/575388068.db2.gz SDRQVHLSTAIUGV-HYXAFXHYSA-N -1 0 332.377 3.425 20 30 EGEDRM CC(=NOCc1noc(CCCC(=O)[O-])n1)c1cc2ccccc2o1 ZINC000736127583 575899543 /nfs/dbraw/zinc/89/95/43/575899543.db2.gz WFFOVVYZKPRZLQ-UHFFFAOYSA-N -1 0 343.339 3.164 20 30 EGEDRM C=CCc1cc(C(=O)OCc2cc(C(=O)[O-])co2)cc(OC)c1OC ZINC000736114480 575900721 /nfs/dbraw/zinc/90/07/21/575900721.db2.gz MREJZKIRHQOBGW-UHFFFAOYSA-N -1 0 346.335 3.081 20 30 EGEDRM CC(=NNc1cccc([N+](=O)[O-])c1C)c1ccc(OCC(=O)[O-])cc1 ZINC000736126583 575902937 /nfs/dbraw/zinc/90/29/37/575902937.db2.gz PIGDYZDXBDQBPU-UHFFFAOYSA-N -1 0 343.339 3.203 20 30 EGEDRM CC(C)(C)CN(CCC#N)C(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC000736248686 575921097 /nfs/dbraw/zinc/92/10/97/575921097.db2.gz OPAMNNPTIQOIMR-UHFFFAOYSA-N -1 0 341.411 3.128 20 30 EGEDRM CC(C)Oc1ccc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000736491828 575973181 /nfs/dbraw/zinc/97/31/81/575973181.db2.gz SMNKTGGSMKNLRW-QGZVFWFLSA-N -1 0 339.347 3.328 20 30 EGEDRM CCN(C(=O)[C@@H](C)Oc1ccc(C#N)cc1)c1ccccc1C(=O)[O-] ZINC000737049163 576090114 /nfs/dbraw/zinc/09/01/14/576090114.db2.gz CKAFJVHPKWHOTH-CYBMUJFWSA-N -1 0 338.363 3.077 20 30 EGEDRM CCOc1ccc(N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1OC ZINC000737202918 576135267 /nfs/dbraw/zinc/13/52/67/576135267.db2.gz JEPJSDOPPUPYHA-QGZVFWFLSA-N -1 0 326.352 3.203 20 30 EGEDRM CN(Cc1ccc(NC(=O)/C=C\c2ccccc2C#N)cc1)C(=O)[O-] ZINC000737479107 576235448 /nfs/dbraw/zinc/23/54/48/576235448.db2.gz UCUVUSUBTMUBAS-FLIBITNWSA-N -1 0 335.363 3.320 20 30 EGEDRM C=CCc1ccccc1OS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000737537508 576242029 /nfs/dbraw/zinc/24/20/29/576242029.db2.gz RHSIOBJKFIWPAT-UHFFFAOYSA-N -1 0 336.340 3.020 20 30 EGEDRM COc1cccc(C=NOCc2ccc(F)cc2C(=O)[O-])c1OC ZINC000738097677 576288701 /nfs/dbraw/zinc/28/87/01/576288701.db2.gz WFGISJVHMIZQBH-UHFFFAOYSA-N -1 0 333.315 3.092 20 30 EGEDRM CS[C@@H](C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccccc1 ZINC000738183540 576297674 /nfs/dbraw/zinc/29/76/74/576297674.db2.gz YUVOZHJWUCNGCU-HZPDHXFCSA-N -1 0 341.388 3.331 20 30 EGEDRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2sccc2C#N)cc1 ZINC000738203341 576299353 /nfs/dbraw/zinc/29/93/53/576299353.db2.gz ROSJJTKHXAMCDM-CYBMUJFWSA-N -1 0 346.433 3.287 20 30 EGEDRM Cc1cc(/C=C\C(=O)c2cncc(F)c2)cc(C)c1OCC(=O)[O-] ZINC000738378186 576319900 /nfs/dbraw/zinc/31/99/00/576319900.db2.gz BUBIYXYQNYAUDF-ARJAWSKDSA-N -1 0 329.327 3.197 20 30 EGEDRM Cc1ccc2cccc(C(=O)O[C@@H](C(=O)[O-])c3ccc(C#N)cc3)c2n1 ZINC000738675476 576349561 /nfs/dbraw/zinc/34/95/61/576349561.db2.gz OFXSDOGEWUAQIO-GOSISDBHSA-N -1 0 346.342 3.398 20 30 EGEDRM Cc1ccccc1[C@@H]1CN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CCO1 ZINC000738769449 576360276 /nfs/dbraw/zinc/36/02/76/576360276.db2.gz PSWWQHOTVDJLLK-RBUKOAKNSA-N -1 0 336.391 3.066 20 30 EGEDRM N#CC(CCOC(=O)[C@@H]1C[C@@H]1C(=O)[O-])(c1ccccc1)c1ccccc1 ZINC000739075331 576376888 /nfs/dbraw/zinc/37/68/88/576376888.db2.gz RFZYGIFGHSELQN-ZWKOTPCHSA-N -1 0 349.386 3.150 20 30 EGEDRM N#CCn1c(C(=O)N2CCc3cc(C(=O)[O-])ccc32)cc2ccccc21 ZINC000739092195 576377609 /nfs/dbraw/zinc/37/76/09/576377609.db2.gz PRVFBFYXZITSEX-UHFFFAOYSA-N -1 0 345.358 3.066 20 30 EGEDRM N#Cc1ccc([C@@H](OC(=O)[C@H]2CSc3ccccc32)C(=O)[O-])cc1 ZINC000739110452 576378489 /nfs/dbraw/zinc/37/84/89/576378489.db2.gz QIXIKDJOXWJXPZ-GOEBONIOSA-N -1 0 339.372 3.117 20 30 EGEDRM N#Cc1ccc(CN(CC(=O)[O-])Cc2ccc(F)c(F)c2)c(F)c1 ZINC000739116669 576378869 /nfs/dbraw/zinc/37/88/69/576378869.db2.gz BTFOWGNICMWZQQ-UHFFFAOYSA-N -1 0 334.297 3.062 20 30 EGEDRM N#Cc1ccsc1C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000739142777 576379646 /nfs/dbraw/zinc/37/96/46/576379646.db2.gz QNTKVLIDBKYUHO-UHFFFAOYSA-N -1 0 332.406 3.190 20 30 EGEDRM O=C([O-])COc1cccc(CN=Nc2cccc(C(F)(F)F)n2)c1 ZINC000739421563 576409953 /nfs/dbraw/zinc/40/99/53/576409953.db2.gz KFNJPCQJRRFNNU-UHFFFAOYSA-N -1 0 339.273 3.010 20 30 EGEDRM N#Cc1ccccc1-c1ccccc1C(=O)N1CCC(C(=O)[O-])CC1 ZINC000740322860 576577076 /nfs/dbraw/zinc/57/70/76/576577076.db2.gz ISDCBGWUBPSMKZ-UHFFFAOYSA-N -1 0 334.375 3.162 20 30 EGEDRM O=[N+]([O-])c1cc(Cl)cc(C=NNc2ccc(Cl)nc2)c1[O-] ZINC000743451558 576809524 /nfs/dbraw/zinc/80/95/24/576809524.db2.gz ICAVWBAKYLWRGA-UHFFFAOYSA-N -1 0 327.127 3.448 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(OC2CCC2)cc1 ZINC000744021756 576818944 /nfs/dbraw/zinc/81/89/44/576818944.db2.gz FFEIVGQJPMGUOH-KRWDZBQOSA-N -1 0 328.412 3.247 20 30 EGEDRM CC(C)[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)C(=O)[O-] ZINC000817998693 597028269 /nfs/dbraw/zinc/02/82/69/597028269.db2.gz QKFBPMREROZJPI-RISCZKNCSA-N -1 0 335.429 3.312 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000819855260 597644598 /nfs/dbraw/zinc/64/45/98/597644598.db2.gz AGFDPWCMIGGPRP-SFHVURJKSA-N -1 0 329.400 3.010 20 30 EGEDRM CC(C)(C)n1cc(C#N)cc1NC(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000819932449 598097747 /nfs/dbraw/zinc/09/77/47/598097747.db2.gz FOJLIHVFBXAXAT-HNNXBMFYSA-N -1 0 340.383 3.062 20 30 EGEDRM Cc1c(C(=O)/C=C/c2cccc(C(=O)[O-])c2)cnn1-c1ccccn1 ZINC000774128611 598201782 /nfs/dbraw/zinc/20/17/82/598201782.db2.gz ACWKITOFRIRIQN-CMDGGOBGSA-N -1 0 333.347 3.170 20 30 EGEDRM Cc1cccc(-c2cccc(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])c2)c1 ZINC000821106884 598226446 /nfs/dbraw/zinc/22/64/46/598226446.db2.gz CAPLMIQLDPYXGJ-HXUWFJFHSA-N -1 0 336.391 3.283 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NCC1(c2cccs2)CCCCC1 ZINC000819833745 598228375 /nfs/dbraw/zinc/22/83/75/598228375.db2.gz IZFKIXLNJYEKIU-MRXNPFEDSA-N -1 0 334.441 3.071 20 30 EGEDRM Cc1oc(COC(=O)c2cc3ccccc3n2CC#N)cc1C(=O)[O-] ZINC000738980489 599840852 /nfs/dbraw/zinc/84/08/52/599840852.db2.gz GLDAEXQCIXCKDT-UHFFFAOYSA-N -1 0 338.319 3.122 20 30 EGEDRM Cc1nnc(Nc2cccc(CSCC(=O)[O-])c2)c(C#N)c1C ZINC000738932186 599960355 /nfs/dbraw/zinc/96/03/55/599960355.db2.gz RKHSJVUNUFJEFA-UHFFFAOYSA-N -1 0 328.397 3.027 20 30 EGEDRM N#CCN(CC(=O)[O-])C(=O)c1ccc(Oc2cccc(Cl)c2)cc1 ZINC000739087458 600403832 /nfs/dbraw/zinc/40/38/32/600403832.db2.gz LZWWCOWHRIBYHI-UHFFFAOYSA-N -1 0 344.754 3.183 20 30 EGEDRM CCCc1c(C(=O)N[C@@H](C)c2cccc(C#N)c2)[nH]c(C)c1C(=O)[O-] ZINC000829557156 600790625 /nfs/dbraw/zinc/79/06/25/600790625.db2.gz WTNHRRYRZVPMLF-NSHDSACASA-N -1 0 339.395 3.337 20 30 EGEDRM Cc1cc(F)cc2c1ncc(C#N)c2N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000832890565 600815322 /nfs/dbraw/zinc/81/53/22/600815322.db2.gz XMHNLMQKSYFNIP-HNNXBMFYSA-N -1 0 339.370 3.245 20 30 EGEDRM C#CCOc1ccc(C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)cc1 ZINC000139297126 600839570 /nfs/dbraw/zinc/83/95/70/600839570.db2.gz VBVFQLMYLXVUMV-GOSISDBHSA-N -1 0 337.375 3.035 20 30 EGEDRM C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000180118757 600913580 /nfs/dbraw/zinc/91/35/80/600913580.db2.gz JDCIISJSRLSMAC-GJZGRUSLSA-N -1 0 346.383 3.000 20 30 EGEDRM O=C([O-])[C@H]1CCN(C(=O)Nc2ccccc2C#Cc2ccccc2)C1 ZINC000833191632 601147440 /nfs/dbraw/zinc/14/74/40/601147440.db2.gz GIJXZNUYCIZEGJ-KRWDZBQOSA-N -1 0 334.375 3.025 20 30 EGEDRM CC(C)c1csc([C@@H](C#N)C(=O)c2cccc(OCC(=O)[O-])c2)n1 ZINC000827139204 601194493 /nfs/dbraw/zinc/19/44/93/601194493.db2.gz FZAQXMGYFACAAA-ZDUSSCGKSA-N -1 0 344.392 3.220 20 30 EGEDRM O=C([O-])COc1ccc(C(=O)OCC#Cc2ccc(Cl)cc2)cc1 ZINC000833253551 601242376 /nfs/dbraw/zinc/24/23/76/601242376.db2.gz JSPYOHAVSTUMEL-UHFFFAOYSA-N -1 0 344.750 3.012 20 30 EGEDRM Cc1csc(C2(N[C@@H](C(=O)[O-])c3cccc(C#N)c3)CCC2)n1 ZINC000832989035 601304430 /nfs/dbraw/zinc/30/44/30/601304430.db2.gz QXMMHHAKRXPLQB-CQSZACIVSA-N -1 0 327.409 3.118 20 30 EGEDRM Cc1ccc(-c2nc(CN[C@@H](C(=O)[O-])c3cccc(C#N)c3)co2)cc1 ZINC000832908165 601307353 /nfs/dbraw/zinc/30/73/53/601307353.db2.gz GTQZHGCTTOWDSF-GOSISDBHSA-N -1 0 347.374 3.437 20 30 EGEDRM COCCCOc1cccc(N[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000831705568 601308167 /nfs/dbraw/zinc/30/81/67/601308167.db2.gz SCEVCALMWSBTJM-GOSISDBHSA-N -1 0 340.379 3.211 20 30 EGEDRM CCc1ccc(N2CCN([C@H](C(=O)[O-])c3cccc(C#N)c3)CC2)cc1 ZINC000830253591 601321907 /nfs/dbraw/zinc/32/19/07/601321907.db2.gz HOEKRNJUARZEOP-FQEVSTJZSA-N -1 0 349.434 3.069 20 30 EGEDRM N#Cc1cccc([C@@H](OC(=O)c2ccccc2OC(F)F)C(=O)[O-])c1 ZINC000833077235 601345215 /nfs/dbraw/zinc/34/52/15/601345215.db2.gz NPTSYGBXVWBWAK-CQSZACIVSA-N -1 0 347.273 3.142 20 30 EGEDRM COc1cc(C(=O)/C=C\c2ccc(C(=O)[O-])[nH]2)ccc1OC(F)F ZINC000831860843 601445070 /nfs/dbraw/zinc/44/50/70/601445070.db2.gz GAUYYZXJMHISBV-XQRVVYSFSA-N -1 0 337.278 3.219 20 30 EGEDRM C[C@H](CNC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)C(=O)[O-] ZINC000827492543 601621019 /nfs/dbraw/zinc/62/10/19/601621019.db2.gz DQUPOVAQMYNEEP-GFCCVEGCSA-N -1 0 339.351 3.193 20 30 EGEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](CC(=O)[O-])C1CC1 ZINC000825966488 601624223 /nfs/dbraw/zinc/62/42/23/601624223.db2.gz FDLPUZKQRNFJFD-SMDDNHRTSA-N -1 0 347.440 3.313 20 30 EGEDRM COc1cccc(C=NOCc2cc(C(=O)[O-])sc2C)c1OC ZINC000832545988 601629686 /nfs/dbraw/zinc/62/96/86/601629686.db2.gz RIMLQMBETCMSEY-UHFFFAOYSA-N -1 0 335.381 3.323 20 30 EGEDRM Cc1nc2sccn2c1C=NOCc1ccc(C(=O)[O-])c(F)c1 ZINC000833007471 601636444 /nfs/dbraw/zinc/63/64/44/601636444.db2.gz SHXBURCHLLSGGO-UHFFFAOYSA-N -1 0 333.344 3.092 20 30 EGEDRM C[C@@H]1CN([C@H](C(=O)[O-])c2ccc(C#N)cc2)C[C@H](c2ccsc2)O1 ZINC000828411097 601886389 /nfs/dbraw/zinc/88/63/89/601886389.db2.gz DMKXSCRZURWBHQ-JLZZUVOBSA-N -1 0 342.420 3.207 20 30 EGEDRM N#Cc1cccc([C@@H](OC(=O)c2cccc(Cl)c2F)C(=O)[O-])c1 ZINC000833077000 602100422 /nfs/dbraw/zinc/10/04/22/602100422.db2.gz KKSZOUYLMXKHSE-CQSZACIVSA-N -1 0 333.702 3.333 20 30 EGEDRM N#Cc1cccc([C@H](OC(=O)c2c[nH]c3ccc(F)cc32)C(=O)[O-])c1 ZINC000833077310 602104789 /nfs/dbraw/zinc/10/47/89/602104789.db2.gz OYXKJTARQIFSMH-INIZCTEOSA-N -1 0 338.294 3.161 20 30 EGEDRM CC1(C)C(=O)Nc2ccc(C(=O)/C=C\c3ccoc3C(=O)[O-])cc21 ZINC000828042297 602302386 /nfs/dbraw/zinc/30/23/86/602302386.db2.gz XKEWSURAUVHYLW-XQRVVYSFSA-N -1 0 325.320 3.104 20 30 EGEDRM C=CCC[C@H](NS(=O)(=O)c1cc(C(=O)[O-])c(C)o1)c1ccccc1 ZINC000825664877 604510077 /nfs/dbraw/zinc/51/00/77/604510077.db2.gz PCVCXGYBMSBFAO-HNNXBMFYSA-N -1 0 349.408 3.272 20 30 EGEDRM CC(=O)Nc1ccc(Cl)cc1NCc1cccc(C(=O)[O-])c1C#N ZINC000833399379 604537454 /nfs/dbraw/zinc/53/74/54/604537454.db2.gz BCYUDUUNDUUHOX-UHFFFAOYSA-N -1 0 343.770 3.480 20 30 EGEDRM Cc1c(C#N)cccc1NC(=O)N[C@@H]1CCCCCC[C@@H]1C(=O)[O-] ZINC000832849569 604557209 /nfs/dbraw/zinc/55/72/09/604557209.db2.gz JHZCTSOTTZAJFC-GOEBONIOSA-N -1 0 329.400 3.412 20 30 EGEDRM N#Cc1ccc([C@@H](OC(=O)/C=C/SCc2ccco2)C(=O)[O-])cc1 ZINC000833073208 604600880 /nfs/dbraw/zinc/60/08/80/604600880.db2.gz XFYHQAYKEULURY-MNDMWVCDSA-N -1 0 343.360 3.267 20 30 EGEDRM COc1cc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2)ccc1OCC#N ZINC000831977568 604627439 /nfs/dbraw/zinc/62/74/39/604627439.db2.gz SQDKCOQJGFUAQV-KRXBUXKQSA-N -1 0 337.331 3.192 20 30 EGEDRM C=CCc1cc(CN2Cc3ccc(C(=O)[O-])cc3C2)cc(OC)c1O ZINC000833379767 604634609 /nfs/dbraw/zinc/63/46/09/604634609.db2.gz MERQZUDHZZIMOH-UHFFFAOYSA-N -1 0 339.391 3.343 20 30 EGEDRM COc1ccccc1NC(=S)NN=C(C)c1ccc(C(=O)[O-])cc1 ZINC000832623736 604636942 /nfs/dbraw/zinc/63/69/42/604636942.db2.gz USWUCHARJVAXDI-UHFFFAOYSA-N -1 0 343.408 3.104 20 30 EGEDRM C[C@H](C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1c(F)cccc1F ZINC000833407192 605035891 /nfs/dbraw/zinc/03/58/91/605035891.db2.gz SFCWNLMVLBLGLD-MGPLVRAMSA-N -1 0 345.301 3.309 20 30 EGEDRM C=CCOc1ccccc1C(=O)OCc1ccccc1CC(=O)[O-] ZINC000833378770 605054046 /nfs/dbraw/zinc/05/40/46/605054046.db2.gz MYLGDCZUKCNUKV-UHFFFAOYSA-N -1 0 326.348 3.236 20 30 EGEDRM C=CCOc1cccnc1C(=O)O[C@@H](C)c1ccc(C(=O)[O-])cc1 ZINC000833379035 605116417 /nfs/dbraw/zinc/11/64/17/605116417.db2.gz VNFQHCPSRMSXBI-LBPRGKRZSA-N -1 0 327.336 3.263 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@H]1CCC(=O)C[C@H]1C ZINC000833379845 605129674 /nfs/dbraw/zinc/12/96/74/605129674.db2.gz NXNSGTCYRYHZGZ-ABAIWWIYSA-N -1 0 346.379 3.033 20 30 EGEDRM CC1CC(C#N)(C(=O)OCc2coc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000833592479 605191030 /nfs/dbraw/zinc/19/10/30/605191030.db2.gz MHJLCYYLXAFIAR-UHFFFAOYSA-N -1 0 340.335 3.023 20 30 EGEDRM CC(C)(C)C[C@H](OC(=O)CSCc1ccc(C#N)cc1)C(=O)[O-] ZINC000833428805 605236479 /nfs/dbraw/zinc/23/64/79/605236479.db2.gz YUZOHAZJVKHLLI-AWEZNQCLSA-N -1 0 335.425 3.224 20 30 EGEDRM N#Cc1c(Cl)cccc1SCc1noc(CCCC(=O)[O-])n1 ZINC000833761004 605264075 /nfs/dbraw/zinc/26/40/75/605264075.db2.gz LAKZCCGBAJPJPN-UHFFFAOYSA-N -1 0 337.788 3.294 20 30 EGEDRM C=C(C)[C@H](CC(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1)OCC ZINC000833367650 605302708 /nfs/dbraw/zinc/30/27/08/605302708.db2.gz PYPCBTDPHRQBDS-PKOBYXMFSA-N -1 0 341.407 3.453 20 30 EGEDRM C=CCN1C(=O)N[C@@H](c2cc(C)c3ncccc3c2)C(C(=O)[O-])=C1C ZINC000833377211 605338839 /nfs/dbraw/zinc/33/88/39/605338839.db2.gz RGICFZOPNKEEHR-KRWDZBQOSA-N -1 0 337.379 3.154 20 30 EGEDRM C#CC[C@@H](NC(=O)NCC1(C(=O)[O-])CCCCC1)c1ccccc1 ZINC000833360990 605408434 /nfs/dbraw/zinc/40/84/34/605408434.db2.gz UUOIXJBYOINJPD-MRXNPFEDSA-N -1 0 328.412 3.085 20 30 EGEDRM C=CCC[C@@H](NC(=O)NC1CCN(C(=O)[O-])CC1)c1ccccc1 ZINC000823496294 605518983 /nfs/dbraw/zinc/51/89/83/605518983.db2.gz HJBUGWFNWGSTFF-MRXNPFEDSA-N -1 0 331.416 3.136 20 30 EGEDRM C=CCn1c(C)cc(C(=O)COC(=O)c2ccc(C(=O)[O-])cc2)c1C ZINC000833379485 605524102 /nfs/dbraw/zinc/52/41/02/605524102.db2.gz DFEZWOCWRTVNOL-UHFFFAOYSA-N -1 0 341.363 3.029 20 30 EGEDRM C=CCNN=Cc1cc(Br)cc(Br)c1[O-] ZINC000795003633 1309648259 /nfs/dbraw/zinc/64/82/59/1309648259.db2.gz OOVWUQZSSMZWJK-UHFFFAOYSA-N -1 0 334.011 3.027 20 30 EGEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N/CCc2nc3ccccc3[nH]2)c1[O-] ZINC000017309338 1291181825 /nfs/dbraw/zinc/18/18/25/1291181825.db2.gz SOHLNMPQHNUWHH-GIJQJNRQSA-N -1 0 344.758 3.492 20 30 EGEDRM CC(=O)Nc1cccc([C@@H](C)/N=C/c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000026431669 1291273385 /nfs/dbraw/zinc/27/33/85/1291273385.db2.gz BKKCKOKBWWAVHG-VDCVXVNISA-N -1 0 327.340 3.439 20 30 EGEDRM CCc1ccc(OCC(=O)[N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000042251671 1291438085 /nfs/dbraw/zinc/43/80/85/1291438085.db2.gz ZIXHVVNDEWCKCA-UHFFFAOYSA-N -1 0 337.372 3.112 20 30 EGEDRM CCOc1ccc(S(=O)(=O)[N-]C(=O)c2cc(F)cc(F)c2)cc1 ZINC000042246905 1291438376 /nfs/dbraw/zinc/43/83/76/1291438376.db2.gz JQIYSEYFNGVZST-UHFFFAOYSA-N -1 0 341.335 3.057 20 30 EGEDRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)c1ccc(C(F)(F)F)cc1 ZINC000042291146 1291438902 /nfs/dbraw/zinc/43/89/02/1291438902.db2.gz BIUYCVAHRRWJKD-UHFFFAOYSA-N -1 0 348.302 3.004 20 30 EGEDRM CCCc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(C#N)cc2)cc1 ZINC000045098567 1291505531 /nfs/dbraw/zinc/50/55/31/1291505531.db2.gz JLVGHWOJENNRQS-UHFFFAOYSA-N -1 0 328.393 3.204 20 30 EGEDRM O=C([N-]S(=O)(=O)c1ccc(Cl)s1)c1ccc([N+](=O)[O-])cc1 ZINC000046928672 1291557841 /nfs/dbraw/zinc/55/78/41/1291557841.db2.gz CBTQMBCGUWNAMB-UHFFFAOYSA-N -1 0 346.773 3.003 20 30 EGEDRM O=C(COc1ccc(F)cc1Cl)[N-]S(=O)(=O)c1ccccc1 ZINC000048405066 1291602875 /nfs/dbraw/zinc/60/28/75/1291602875.db2.gz RMRAJWRXRVESFM-UHFFFAOYSA-N -1 0 343.763 3.203 20 30 EGEDRM O=C(CCCOc1ccc(F)cc1)[N-]S(=O)(=O)c1ccccc1 ZINC000048405886 1291603635 /nfs/dbraw/zinc/60/36/35/1291603635.db2.gz UDFHKASJXZQVKV-UHFFFAOYSA-N -1 0 337.372 3.330 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2csc(-c3ccco3)n2)cc1 ZINC000048422529 1291604435 /nfs/dbraw/zinc/60/44/35/1291604435.db2.gz YTXDIJYOCCKZDS-UHFFFAOYSA-N -1 0 348.405 3.405 20 30 EGEDRM N#CCc1cccc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000048461461 1291605306 /nfs/dbraw/zinc/60/53/06/1291605306.db2.gz RZNVDODFQYQASD-UHFFFAOYSA-N -1 0 340.813 3.161 20 30 EGEDRM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)CCc2ccc(C#N)cc2)c1 ZINC000048472097 1291607148 /nfs/dbraw/zinc/60/71/48/1291607148.db2.gz LXLGYYNQZDCGAC-UHFFFAOYSA-N -1 0 342.420 3.453 20 30 EGEDRM CC(=CC(=O)[N-]S(=O)(=O)c1cc(C)c(C)c([N+](=O)[O-])c1)C1CC1 ZINC000048505013 1291607730 /nfs/dbraw/zinc/60/77/30/1291607730.db2.gz MBYCAUSBZUZCAR-JXMROGBWSA-N -1 0 338.385 3.213 20 30 EGEDRM O=C([N-]S(=O)(=O)c1ccc2c(c1)CCC2)c1ccc(F)cc1F ZINC000048612191 1291613135 /nfs/dbraw/zinc/61/31/35/1291613135.db2.gz LJUYGAAWGVRAIZ-UHFFFAOYSA-N -1 0 337.347 3.147 20 30 EGEDRM CC(C)CCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000049302203 1291627188 /nfs/dbraw/zinc/62/71/88/1291627188.db2.gz KLYXQQMJEXFCTO-VIFPVBQESA-N -1 0 339.866 3.498 20 30 EGEDRM Cc1cccc(O[C@H](C)C(=O)[N-]S(=O)(=O)C2CCCCC2)c1 ZINC000058070788 1291876422 /nfs/dbraw/zinc/87/64/22/1291876422.db2.gz LEDJBFXTIJUGPI-CYBMUJFWSA-N -1 0 325.430 3.381 20 30 EGEDRM COc1cccc(S(=O)(=O)[N-]C(=O)c2cc(C)sc2C)c1 ZINC000058185958 1291882012 /nfs/dbraw/zinc/88/20/12/1291882012.db2.gz YOOQOTBVGCALOX-UHFFFAOYSA-N -1 0 325.411 3.067 20 30 EGEDRM COc1ccc(S(=O)(=O)[N-]C(=O)C2(c3cccc(C)c3)CC2)cc1 ZINC000066003656 1292103996 /nfs/dbraw/zinc/10/39/96/1292103996.db2.gz FEUXJMMJVGTDHW-UHFFFAOYSA-N -1 0 345.420 3.381 20 30 EGEDRM CCO[C@H](CC)C(=O)[N-]S(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000066003675 1292104000 /nfs/dbraw/zinc/10/40/00/1292104000.db2.gz BMIVQVKLOKAOLY-CQSZACIVSA-N -1 0 327.446 3.381 20 30 EGEDRM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)[C@H](C)OCCC(C)C)c1 ZINC000069282655 1292237708 /nfs/dbraw/zinc/23/77/08/1292237708.db2.gz UNLCNURYHPGOTE-AWEZNQCLSA-N -1 0 327.446 3.400 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)OCCC(C)C)c(C)c1 ZINC000069282745 1292238196 /nfs/dbraw/zinc/23/81/96/1292238196.db2.gz UYYAUFQUZMINLD-CQSZACIVSA-N -1 0 327.446 3.400 20 30 EGEDRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)C=Cc1ccc(C(C)(C)C)cc1 ZINC000073839503 1292327797 /nfs/dbraw/zinc/32/77/97/1292327797.db2.gz HGTGLWYSEGMJOX-RUNBWSAHSA-N -1 0 339.457 3.319 20 30 EGEDRM O=C([N-]S(=O)(=O)c1cccs1)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000076756670 1292440255 /nfs/dbraw/zinc/44/02/55/1292440255.db2.gz IJGSSXFGVITLAG-UWVGGRQHSA-N -1 0 343.376 3.475 20 30 EGEDRM O=C(CSc1ccncc1)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000077941852 1292490924 /nfs/dbraw/zinc/49/09/24/1292490924.db2.gz YSCUIPRYSKKHEP-UHFFFAOYSA-N -1 0 342.829 3.173 20 30 EGEDRM CCOc1ccc(CC(=O)[N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000077942457 1292491247 /nfs/dbraw/zinc/49/12/47/1292491247.db2.gz QBLCGKDJHHEFCK-UHFFFAOYSA-N -1 0 337.372 3.112 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccccc2Cl)c(F)c1 ZINC000080667203 1292614036 /nfs/dbraw/zinc/61/40/36/1292614036.db2.gz QJQYOLAHNONDJS-UHFFFAOYSA-N -1 0 327.764 3.481 20 30 EGEDRM N#Cc1ccc(O)c([N-]S(=O)(=O)c2c(Cl)cccc2Cl)c1 ZINC000080941385 1292630865 /nfs/dbraw/zinc/63/08/65/1292630865.db2.gz NEVOMCJBCIXESI-UHFFFAOYSA-N -1 0 343.191 3.371 20 30 EGEDRM O=C([N-]S(=O)(=O)C1CCCC1)[C@H]1COc2ccc(Cl)cc2C1 ZINC000086055069 1292727271 /nfs/dbraw/zinc/72/72/71/1292727271.db2.gz DQDJAOLJVPBKFP-LLVKDONJSA-N -1 0 343.832 3.120 20 30 EGEDRM Cc1ccc(C(=O)CCC(=O)[N-]S(=O)(=O)C2CCCC2)s1 ZINC000086056383 1292728510 /nfs/dbraw/zinc/72/85/10/1292728510.db2.gz BTWRBZNGBCQIOQ-UHFFFAOYSA-N -1 0 329.443 3.248 20 30 EGEDRM C=CCC(CC=C)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000091125665 1292820886 /nfs/dbraw/zinc/82/08/86/1292820886.db2.gz IWYHCOCLDQRSAZ-UHFFFAOYSA-N -1 0 335.425 3.425 20 30 EGEDRM CC(C)Oc1ccc(S(=O)(=O)[N-]C(=O)c2cccc(F)c2)cc1 ZINC000091127268 1292822945 /nfs/dbraw/zinc/82/29/45/1292822945.db2.gz XNASNQSSVSEIBX-UHFFFAOYSA-N -1 0 337.372 3.306 20 30 EGEDRM Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)[N-]S(C)(=O)=O ZINC000097081427 1292957672 /nfs/dbraw/zinc/95/76/72/1292957672.db2.gz NGCFATQCFZWERM-UHFFFAOYSA-N -1 0 349.195 3.221 20 30 EGEDRM Cc1ccc(C([O-])=C(C#N)C(=O)NCc2ccccc2)cc1Cl ZINC000103329926 1293002494 /nfs/dbraw/zinc/00/24/94/1293002494.db2.gz LDPOATHLZYFUOR-HNNXBMFYSA-N -1 0 326.783 3.287 20 30 EGEDRM Cc1nnc(N=NC2CCC[C@@H]2Cc2ccc(Cl)cc2)[n-]c1=O ZINC000834924985 1293177105 /nfs/dbraw/zinc/17/71/05/1293177105.db2.gz HPXKRIOYPQYNBT-GFCCVEGCSA-N -1 0 331.807 3.350 20 30 EGEDRM CC(C)(C)n1ncc2c1nc(N=NC1CCCC13CCC3)[n-]c2=O ZINC000834956581 1293180606 /nfs/dbraw/zinc/18/06/06/1293180606.db2.gz AWHJVAGPIFEXMH-UHFFFAOYSA-N -1 0 328.420 3.409 20 30 EGEDRM C[C@H](c1ccc(C([O-])=C(C#N)C(=O)N2CCCC2)cc1)C(F)(F)F ZINC000835057309 1293194891 /nfs/dbraw/zinc/19/48/91/1293194891.db2.gz AWTLWIXSUODJRY-BXUZGUMPSA-N -1 0 338.329 3.297 20 30 EGEDRM CCCCCCCCC(=O)[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000119545009 1293276599 /nfs/dbraw/zinc/27/65/99/1293276599.db2.gz MDPASZQLQLMDRA-UHFFFAOYSA-N -1 0 332.853 3.291 20 30 EGEDRM COc1cc(C(=O)/C=C/c2ccc(O)c(F)c2)cc(OC)c1OC ZINC000120681459 1293332747 /nfs/dbraw/zinc/33/27/47/1293332747.db2.gz UQCIDISIZRGIJH-GQCTYLIASA-N -1 0 332.327 3.453 20 30 EGEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N/[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1[O-] ZINC000124137085 1293467737 /nfs/dbraw/zinc/46/77/37/1293467737.db2.gz AMYXCASLBYUQBM-UCVQDMOVSA-N -1 0 336.775 3.330 20 30 EGEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(C2SCCS2)cc1 ZINC000124509489 1293477309 /nfs/dbraw/zinc/47/73/09/1293477309.db2.gz JFIFPFZAJPZMIQ-CQSZACIVSA-N -1 0 346.477 3.110 20 30 EGEDRM Cc1ccc(-c2ccc(C=CC([O-])=C3C(=O)C=C(C)OC3=O)o2)cc1 ZINC000128008938 1293580844 /nfs/dbraw/zinc/58/08/44/1293580844.db2.gz XEIRDJNWVRWBJO-XSBJJCPUSA-N -1 0 336.343 3.483 20 30 EGEDRM Cc1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])c([O-])c2)cc1[N+](=O)[O-] ZINC000129513691 1293626419 /nfs/dbraw/zinc/62/64/19/1293626419.db2.gz WTOONGKEXPVSRF-QPJJXVBHSA-N -1 0 328.280 3.413 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(SC(F)F)nc2)cc1 ZINC000135247630 1293790372 /nfs/dbraw/zinc/79/03/72/1293790372.db2.gz PNRCMUUVCVDHNP-UHFFFAOYSA-N -1 0 341.364 3.069 20 30 EGEDRM CC(=O)Nc1ccc(/C=C/C(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000136512188 1293816756 /nfs/dbraw/zinc/81/67/56/1293816756.db2.gz ISGPQBQSLIYYHN-XBXARRHUSA-N -1 0 326.308 3.155 20 30 EGEDRM COc1ccc(C(=O)/C=C/c2ccc(OC)c([N+](=O)[O-])c2)c([O-])c1 ZINC000156621420 1294152513 /nfs/dbraw/zinc/15/25/13/1294152513.db2.gz WZFUTXGGUIZMRD-XVNBXDOJSA-N -1 0 329.308 3.214 20 30 EGEDRM CCOc1ccc([N+](=O)[O-])cc1/C=C/C(=O)c1cc(O)ccc1[O-] ZINC000156649563 1294152971 /nfs/dbraw/zinc/15/29/71/1294152971.db2.gz TUDNYAMTMMTMEM-ZZXKWVIFSA-N -1 0 329.308 3.301 20 30 EGEDRM COc1cc(/C=C/C(=O)c2occc2C)ccc1OCCC(=O)[O-] ZINC000157068302 1294168172 /nfs/dbraw/zinc/16/81/72/1294168172.db2.gz MOJBDLUVZWHGLI-HWKANZROSA-N -1 0 330.336 3.346 20 30 EGEDRM CC(C)Cc1ccc([C@H](C)C(=O)C(C#N)=C([O-])c2nccn2C)cc1 ZINC000157228682 1294171868 /nfs/dbraw/zinc/17/18/68/1294171868.db2.gz QODGDAZOLAMGMD-WMLDXEAASA-N -1 0 337.423 3.314 20 30 EGEDRM CNC(=O)C(C#N)=C([O-])c1ccc(Oc2cccc(Cl)c2)cc1 ZINC000159812553 1294247738 /nfs/dbraw/zinc/24/77/38/1294247738.db2.gz CKOIFSDCRFBNIS-HNNXBMFYSA-N -1 0 328.755 3.201 20 30 EGEDRM CC(=O)Nc1cccc(C(=O)/C=C/c2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000176379161 1294601830 /nfs/dbraw/zinc/60/18/30/1294601830.db2.gz NYCIXMORSMOHGT-VMPITWQZSA-N -1 0 326.308 3.155 20 30 EGEDRM Cc1c(C(=O)Nc2cc(C#N)ccc2[O-])cnn1-c1ccccc1F ZINC000176823941 1294635277 /nfs/dbraw/zinc/63/52/77/1294635277.db2.gz LXQHYUOWQAGQIN-UHFFFAOYSA-N -1 0 336.326 3.149 20 30 EGEDRM C[C@@H](Oc1cccc(/C=C/C(=O)c2ccc(Cl)nc2)c1)C(=O)[O-] ZINC000179413314 1294793959 /nfs/dbraw/zinc/79/39/59/1294793959.db2.gz YRUYOJSGYNBZOK-OKPNEXGHSA-N -1 0 331.755 3.483 20 30 EGEDRM CC(=O)Nc1ccc(C(=O)/C=C/c2cc([O-])ccc2[N+](=O)[O-])cc1 ZINC000180454109 1294890569 /nfs/dbraw/zinc/89/05/69/1294890569.db2.gz RBHSHNQDIVAOQL-RUDMXATFSA-N -1 0 326.308 3.155 20 30 EGEDRM N#CCCCS(=O)(=O)[N-]C(=O)CC1CCC(c2ccccc2)CC1 ZINC000181296690 1294953610 /nfs/dbraw/zinc/95/36/10/1294953610.db2.gz RJWBFFSAZLIZRC-UHFFFAOYSA-N -1 0 348.468 3.100 20 30 EGEDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2O[C@H](C)C#N)c1 ZINC000183129377 1295101277 /nfs/dbraw/zinc/10/12/77/1295101277.db2.gz MPTLBZRQHQGBMD-CQSZACIVSA-N -1 0 330.409 3.395 20 30 EGEDRM Cc1ccn(C[C@H](C)C(=O)C(C#N)=C([O-])c2c(C)[nH]c3ccccc32)n1 ZINC000870122226 1295676033 /nfs/dbraw/zinc/67/60/33/1295676033.db2.gz HEZIZGZWPOVCAN-BLLLJJGKSA-N -1 0 348.406 3.209 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(OC(F)(F)F)cc1 ZINC000193369111 1295858516 /nfs/dbraw/zinc/85/85/16/1295858516.db2.gz RNMSDFIIXCHTDC-CYBMUJFWSA-N -1 0 342.317 3.214 20 30 EGEDRM CCn1cc(C([O-])=C(C#N)C(=O)NCc2ccccc2)c2ccccc21 ZINC000193407725 1295864433 /nfs/dbraw/zinc/86/44/33/1295864433.db2.gz DPMCZIJKVIDZIG-QGZVFWFLSA-N -1 0 345.402 3.300 20 30 EGEDRM COc1cccc(C=Nn2c(-c3ccccc3F)n[n-]c2=S)c1O ZINC000254842786 1296479179 /nfs/dbraw/zinc/47/91/79/1296479179.db2.gz XQVSIQQXXXGKQW-UHFFFAOYSA-N -1 0 344.371 3.343 20 30 EGEDRM COc1cc(/C=C\C(=O)c2ccc([O-])c(F)c2)ccc1OCC#N ZINC000255360468 1296523475 /nfs/dbraw/zinc/52/34/75/1296523475.db2.gz MXIBCBDIPXOABM-DJWKRKHSSA-N -1 0 327.311 3.338 20 30 EGEDRM C=CCC[C@@H](NC(=O)C1(c2cccc(C(F)(F)F)c2)CC1)C(=O)[O-] ZINC000262813299 1296647563 /nfs/dbraw/zinc/64/75/63/1296647563.db2.gz DOLGXSUYBMMISQ-CYBMUJFWSA-N -1 0 341.329 3.273 20 30 EGEDRM N#CC(=C([O-])c1ccc(COc2ccc(C#N)cc2)o1)c1ccncn1 ZINC000354463954 1297446025 /nfs/dbraw/zinc/44/60/25/1297446025.db2.gz JPNVKXHNNFHTCW-INIZCTEOSA-N -1 0 344.330 3.010 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])c(/C=N\C[C@@H]2COC3(CCCCCC3)O2)c1 ZINC000588388295 1298055299 /nfs/dbraw/zinc/05/52/99/1298055299.db2.gz BHOWZLIBZKXQKD-YQYFLZKSSA-N -1 0 334.372 3.185 20 30 EGEDRM Cc1cccc(C)c1NC(=S)NN=Cc1ccc([N+](=O)[O-])c([O-])c1 ZINC000748131551 1298933990 /nfs/dbraw/zinc/93/39/90/1298933990.db2.gz KIKXCOOKZYXRFZ-UHFFFAOYSA-N -1 0 344.396 3.238 20 30 EGEDRM COc1cc(/C=C/c2ncc(/C=C\C(=O)[O-])s2)ccc1OCC#N ZINC000748441272 1299007795 /nfs/dbraw/zinc/00/77/95/1299007795.db2.gz KQJUFVBHUQCUMO-JOVCIAKGSA-N -1 0 342.376 3.322 20 30 EGEDRM CCOC(=O)Nc1ccc(NC(=O)c2ccc(F)cc2[O-])cc1C#N ZINC000752627304 1299770114 /nfs/dbraw/zinc/77/01/14/1299770114.db2.gz NJSZSKQZWPGCNF-UHFFFAOYSA-N -1 0 343.314 3.224 20 30 EGEDRM COc1ccc(C(=O)/C=C/c2ccc(O)c(F)c2)cc1CC(=O)[O-] ZINC000755581267 1300359928 /nfs/dbraw/zinc/35/99/28/1300359928.db2.gz LJYPURQQNRLIDH-GORDUTHDSA-N -1 0 330.311 3.063 20 30 EGEDRM COc1ccc(O)c(C(=O)/C=C\c2cccc(OCCC(=O)[O-])c2)c1 ZINC000757467877 1300673364 /nfs/dbraw/zinc/67/33/64/1300673364.db2.gz MPURHEWOZHIKGH-ALCCZGGFSA-N -1 0 342.347 3.150 20 30 EGEDRM Cc1cc(/C=C/C(=O)c2cc(F)cc(F)c2[O-])ccc1-n1cncn1 ZINC000757475446 1300674843 /nfs/dbraw/zinc/67/48/43/1300674843.db2.gz KKYBATUHQLGBAV-HWKANZROSA-N -1 0 341.317 3.456 20 30 EGEDRM O=C(/C=C\c1ccc(N2CCOCC2)c(F)c1)c1ccccc1[O-] ZINC000757474097 1300675223 /nfs/dbraw/zinc/67/52/23/1300675223.db2.gz IWGUDUKWCDZYLT-VURMDHGXSA-N -1 0 327.355 3.264 20 30 EGEDRM CCC[C@H](C)C(=O)C(C#N)=C([O-])c1c(C)[nH]c(C)c1C(=O)OCC ZINC000759236034 1301047066 /nfs/dbraw/zinc/04/70/66/1301047066.db2.gz GWBKNXJCMPCGBA-GXFFZTMASA-N -1 0 332.400 3.136 20 30 EGEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)C[C@H](C)C1CC1 ZINC000759240355 1301048570 /nfs/dbraw/zinc/04/85/70/1301048570.db2.gz SKGYIHUFYLKLDC-IINYFYTJSA-N -1 0 344.411 3.136 20 30 EGEDRM COc1cc(F)c(C(=O)/C=C/c2ccc([O-])c([N+](=O)[O-])c2)cc1OC ZINC000760271130 1301242826 /nfs/dbraw/zinc/24/28/26/1301242826.db2.gz YZSJMVMICKGUGW-HWKANZROSA-N -1 0 347.298 3.353 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])c(/C=N\C[C@H](O)c2ccc(Cl)c(F)c2)c1 ZINC000762436068 1301678525 /nfs/dbraw/zinc/67/85/25/1301678525.db2.gz KGHOUBAVZQISLL-WVSFHRMVSA-N -1 0 338.722 3.245 20 30 EGEDRM O=c1c2ccccc2[n-]c(=S)n1N=Cc1c[nH]c2cccc(F)c12 ZINC000763359729 1301886078 /nfs/dbraw/zinc/88/60/78/1301886078.db2.gz SLGVQIRPYKJPPX-UHFFFAOYSA-N -1 0 338.367 3.188 20 30 EGEDRM CC(N=Nc1nnc(-c2ccccc2)n1C)c1cccc(C(=O)[O-])c1 ZINC000764683124 1302118004 /nfs/dbraw/zinc/11/80/04/1302118004.db2.gz PFSAGYUNSSPSNT-UHFFFAOYSA-N -1 0 335.367 3.016 20 30 EGEDRM C#CCCCSc1nc([O-])c(CC)c(=O)n1-c1cccc(OC)c1 ZINC000766290711 1302423209 /nfs/dbraw/zinc/42/32/09/1302423209.db2.gz YVRFLTYAECDJDQ-UHFFFAOYSA-N -1 0 344.436 3.015 20 30 EGEDRM C=CCS(=O)(=O)[N-]C(=O)/C(C)=C\c1c(Cl)cccc1Cl ZINC000766891053 1302540033 /nfs/dbraw/zinc/54/00/33/1302540033.db2.gz VNNSNESWXBCJKW-HJWRWDBZSA-N -1 0 334.224 3.029 20 30 EGEDRM CC(=NNc1cc(C#N)cc(Cl)n1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000768374727 1302891144 /nfs/dbraw/zinc/89/11/44/1302891144.db2.gz JCSUBJQUULSGTB-UHFFFAOYSA-N -1 0 331.719 3.057 20 30 EGEDRM CC(C[C@@H](C)NC(=O)OC(C)(C)C)N=Nc1ccccc1C(=O)[O-] ZINC000769570599 1303142280 /nfs/dbraw/zinc/14/22/80/1303142280.db2.gz RHVHRDXKPKZETB-LLVKDONJSA-N -1 0 335.404 3.476 20 30 EGEDRM C[C@@H](Oc1cccc(C(=O)/C=C\c2cccc3nccn32)c1)C(=O)[O-] ZINC000769610083 1303146858 /nfs/dbraw/zinc/14/68/58/1303146858.db2.gz NVMWDBNXODNGBR-LJTDUEICSA-N -1 0 336.347 3.082 20 30 EGEDRM N#Cc1cc(/C=C(/C(=O)C(=O)[O-])c2ccc3ccccc3n2)ccc1F ZINC000770565786 1303286088 /nfs/dbraw/zinc/28/60/88/1303286088.db2.gz JDBLXRMUYSPBII-XNTDXEJSSA-N -1 0 346.317 3.440 20 30 EGEDRM CC(=NNC[C@H](C)C#N)c1cc(Br)cc(Cl)c1[O-] ZINC000771111658 1303361857 /nfs/dbraw/zinc/36/18/57/1303361857.db2.gz JNWPSGWIBVRVJD-SSDOTTSWSA-N -1 0 330.613 3.281 20 30 EGEDRM C=CCS(=O)(=O)[N-]C(=O)c1sc2cc(C)ccc2c1Cl ZINC000772720851 1303567860 /nfs/dbraw/zinc/56/78/60/1303567860.db2.gz XWTFCTDRCIXEQP-UHFFFAOYSA-N -1 0 329.830 3.109 20 30 EGEDRM CC(C)(C)OC(=O)N[C@H]1CCCC1N=Nc1ccccc1C(=O)[O-] ZINC000773187993 1303639539 /nfs/dbraw/zinc/63/95/39/1303639539.db2.gz ADTWPEGMWSDIOL-ZDUSSCGKSA-N -1 0 333.388 3.230 20 30 EGEDRM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2nccs2)cc1 ZINC000774056664 1303769626 /nfs/dbraw/zinc/76/96/26/1303769626.db2.gz XTXUAQTXFGQRDQ-AWEZNQCLSA-N -1 0 327.409 3.447 20 30 EGEDRM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2nccs2)cc1 ZINC000774056666 1303769650 /nfs/dbraw/zinc/76/96/50/1303769650.db2.gz XTXUAQTXFGQRDQ-CQSZACIVSA-N -1 0 327.409 3.447 20 30 EGEDRM COCCOc1cccc(F)c1C(=O)/C=C\c1cccc(C(=O)[O-])c1 ZINC000774136954 1303778025 /nfs/dbraw/zinc/77/80/25/1303778025.db2.gz CZLWLEVBSPEKOV-HJWRWDBZSA-N -1 0 344.338 3.445 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])c(/C=N\C[C@H](O)c2cc(F)cc(Cl)c2)c1 ZINC000775741968 1304026980 /nfs/dbraw/zinc/02/69/80/1304026980.db2.gz UWADKFYGZDBNGC-WVSFHRMVSA-N -1 0 338.722 3.245 20 30 EGEDRM CC(=NNCCCOc1ccccc1)c1ccc(C(=O)[O-])c(F)c1 ZINC000776769446 1304196561 /nfs/dbraw/zinc/19/65/61/1304196561.db2.gz RZFNHDPHSKSNOP-UHFFFAOYSA-N -1 0 330.359 3.307 20 30 EGEDRM C=CCSc1ccccc1C(=O)[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000777281608 1304279633 /nfs/dbraw/zinc/27/96/33/1304279633.db2.gz HTFCXSMOFWEFRM-UHFFFAOYSA-N -1 0 347.461 3.392 20 30 EGEDRM CCCCCCCCC(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC000779315927 1304554860 /nfs/dbraw/zinc/55/48/60/1304554860.db2.gz JNIYXQDUOWMXHF-UHFFFAOYSA-N -1 0 328.478 3.267 20 30 EGEDRM COc1cc(OC)c(/C=C\C(=O)c2csc(C(=O)[O-])c2)c(OC)c1 ZINC000779462271 1304574831 /nfs/dbraw/zinc/57/48/31/1304574831.db2.gz KRIWCRJRKQIZNX-PLNGDYQASA-N -1 0 348.376 3.368 20 30 EGEDRM O=C([O-])CCOc1cccc(/C=C/C(=O)c2ccnc(Cl)c2)c1 ZINC000779461311 1304575241 /nfs/dbraw/zinc/57/52/41/1304575241.db2.gz YGTUSFNCSKPAII-SNAWJCMRSA-N -1 0 331.755 3.485 20 30 EGEDRM C#CCOc1cccc([N-]S(=O)(=O)c2ccccc2SC)c1 ZINC000780388025 1304685195 /nfs/dbraw/zinc/68/51/95/1304685195.db2.gz UGGZIDLXDURAAV-UHFFFAOYSA-N -1 0 333.434 3.221 20 30 EGEDRM C=CCCN(OCc1ccccc1)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000783871588 1305155573 /nfs/dbraw/zinc/15/55/73/1305155573.db2.gz SEWOWJWJYDSVFI-UHFFFAOYSA-N -1 0 342.351 3.451 20 30 EGEDRM CC[C@@H](C)CCCCC(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC000784929058 1305294906 /nfs/dbraw/zinc/29/49/06/1305294906.db2.gz JSANMQWZAPMUHK-CQSZACIVSA-N -1 0 328.478 3.123 20 30 EGEDRM CC(C)(C#N)CC(=O)[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000786410430 1305572091 /nfs/dbraw/zinc/57/20/91/1305572091.db2.gz GXTWSZLDRDQXOI-UHFFFAOYSA-N -1 0 342.420 3.098 20 30 EGEDRM CCOc1ccc(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)cc1 ZINC000786545053 1305594435 /nfs/dbraw/zinc/59/44/35/1305594435.db2.gz DBQFADKLMLIIHV-SFHVURJKSA-N -1 0 336.391 3.033 20 30 EGEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2cccc(C(C)C)n2)c1 ZINC000786552029 1305596234 /nfs/dbraw/zinc/59/62/34/1305596234.db2.gz JCGANIWTFDVWQR-INIZCTEOSA-N -1 0 335.407 3.152 20 30 EGEDRM Cc1ccc(C([O-])=C(C#N)C(=O)NCc2ccc(F)cc2F)cc1F ZINC000786559535 1305598056 /nfs/dbraw/zinc/59/80/56/1305598056.db2.gz PFBQAOCUPQBIMR-CQSZACIVSA-N -1 0 346.308 3.051 20 30 EGEDRM Cc1ccc(C([O-])=C(C#N)C(=O)NCc2ccc(F)c(F)c2)cc1C ZINC000786565361 1305599643 /nfs/dbraw/zinc/59/96/43/1305599643.db2.gz QUZUTBRKCXXJJV-OAHLLOKOSA-N -1 0 342.345 3.221 20 30 EGEDRM N#C[C@@H](c1ccccc1)N1CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000893863990 1306104715 /nfs/dbraw/zinc/10/47/15/1306104715.db2.gz OEPDBXWYTPVHAQ-SFHVURJKSA-N -1 0 343.377 3.053 20 30 EGEDRM CS(=O)(=O)c1cccc(NN=Cc2c(O)ccc(Cl)c2F)c1 ZINC000790170606 1306270707 /nfs/dbraw/zinc/27/07/07/1306270707.db2.gz PJSVOYLWFIOUGM-UHFFFAOYSA-N -1 0 342.779 3.034 20 30 EGEDRM O=C([O-])CCOc1cccc(CN=Nc2cccc(F)c2[N+](=O)[O-])c1 ZINC000790310794 1306298254 /nfs/dbraw/zinc/29/82/54/1306298254.db2.gz QCZGDGSGTROWBJ-UHFFFAOYSA-N -1 0 347.302 3.033 20 30 EGEDRM Oc1ccc(Br)cc1/C=N/Cc1cnc2n1CCCC2 ZINC000790576326 1306354903 /nfs/dbraw/zinc/35/49/03/1306354903.db2.gz XLJFYOMJHUPJIS-CAOOACKPSA-N -1 0 334.217 3.307 20 30 EGEDRM CC[C@H](NN=C1CCCc2nc(-c3ccccc3)sc21)C(=O)[O-] ZINC000793071475 1309291140 /nfs/dbraw/zinc/29/11/40/1309291140.db2.gz JNJVHHQEVDTOLG-LBPRGKRZSA-N -1 0 329.425 3.303 20 30 EGEDRM O=C1Nc2ccc(-c3ccccc3)cc2C1=N[N-]c1ncncc1F ZINC000793212031 1309317286 /nfs/dbraw/zinc/31/72/86/1309317286.db2.gz SWNQTMFYJWITGW-UHFFFAOYSA-N -1 0 333.326 3.051 20 30 EGEDRM C=CCCCS(=O)(=O)[N-]c1nc(COc2ccccc2)cs1 ZINC000794016699 1309464929 /nfs/dbraw/zinc/46/49/29/1309464929.db2.gz KYWCKQKXJHXYDS-UHFFFAOYSA-N -1 0 338.454 3.430 20 30 EGEDRM C[C@@H](Oc1ccc(/C=C2/COc3cc(F)ccc3C2=O)cc1)C(=O)[O-] ZINC000794728422 1309584606 /nfs/dbraw/zinc/58/46/06/1309584606.db2.gz PODXXOINQMNWPM-JYVXZMADSA-N -1 0 342.322 3.336 20 30 EGEDRM COc1ccc(C=Nn2c(=S)[n-]nc2C(F)(F)F)c(Cl)c1 ZINC000794747744 1309588518 /nfs/dbraw/zinc/58/85/18/1309588518.db2.gz FRTFBMSYWRHTDV-UHFFFAOYSA-N -1 0 336.726 3.130 20 30 EGEDRM CC(C)n1nccc1/C=C\C(=O)c1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000794935399 1309625534 /nfs/dbraw/zinc/62/55/34/1309625534.db2.gz QRJYBHJHBXSTLY-MEJMFZKBSA-N -1 0 328.368 3.212 20 30 EGEDRM Cc1c2cc(C#N)ccc2sc1C([O-])=C(C#N)C(=O)c1nccn1C ZINC000796980522 1310119260 /nfs/dbraw/zinc/11/92/60/1310119260.db2.gz IDTCZRFUNWSZTQ-CYBMUJFWSA-N -1 0 348.387 3.020 20 30 EGEDRM COc1cc(/C=C2/CCc3oc(C(=O)[O-])c(C)c3C2=O)ccc1C#N ZINC000799496054 1310561602 /nfs/dbraw/zinc/56/16/02/1310561602.db2.gz WWUBUWZOILLQSC-GHXNOFRVSA-N -1 0 337.331 3.379 20 30 EGEDRM CCCCCCCS(=O)(=O)[N-]c1ncn(Cc2ccccc2)n1 ZINC000799637466 1310591937 /nfs/dbraw/zinc/59/19/37/1310591937.db2.gz KMOVWAYRDFDODU-UHFFFAOYSA-N -1 0 336.461 3.039 20 30 EGEDRM CCOc1cccc(S(=O)(=O)[N-]c2ccccc2O[C@@H](C)C#N)c1 ZINC000799925897 1310639402 /nfs/dbraw/zinc/63/94/02/1310639402.db2.gz WJWGUWJEUWYNNR-ZDUSSCGKSA-N -1 0 346.408 3.177 20 30 EGEDRM CCCc1nc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)co1 ZINC000802039917 1316976122 /nfs/dbraw/zinc/97/61/22/1316976122.db2.gz AWULVYQMQRXKJG-GFCCVEGCSA-N -1 0 331.759 3.242 20 30 EGEDRM C[C@H](Oc1cccc(/C=C\C(=O)c2cnn(C3CCC3)c2)c1)C(=O)[O-] ZINC000899407506 1317023036 /nfs/dbraw/zinc/02/30/36/1317023036.db2.gz SWBUXCFKAMJZMH-YXVBKTCISA-N -1 0 340.379 3.356 20 30 EGEDRM COCCCNC(=O)C(C#N)=C([O-])c1coc2ccc(C(C)C)cc12 ZINC000805851686 1317431775 /nfs/dbraw/zinc/43/17/75/1317431775.db2.gz NXGNENOFOSUWSG-OAHLLOKOSA-N -1 0 342.395 3.031 20 30 EGEDRM COc1ccc(/C=C2/C[C@@H](C(=O)[O-])c3ccccc3C2=O)cc1C#N ZINC000806560417 1317501553 /nfs/dbraw/zinc/50/15/53/1317501553.db2.gz LPGCLGGHEQVCSF-KMGMULKOSA-N -1 0 333.343 3.405 20 30 EGEDRM O=C([O-])[C@@H]1C/C(=C/c2cn(-c3ccccc3)nn2)C(=O)c2ccccc21 ZINC000806562804 1317501725 /nfs/dbraw/zinc/50/17/25/1317501725.db2.gz PGGZJAKJNBQPDZ-ADYSOMBNSA-N -1 0 345.358 3.106 20 30 EGEDRM Cc1cc(C)c(C(=O)[O-])cc1/C=C\C(=O)c1cccc(-n2ccnn2)c1 ZINC000806575054 1317504286 /nfs/dbraw/zinc/50/42/86/1317504286.db2.gz OAYQHOQVPLSBKM-SREVYHEPSA-N -1 0 347.374 3.478 20 30 EGEDRM Cc1cc(C#N)c([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)s1 ZINC000903170217 1317667723 /nfs/dbraw/zinc/66/77/23/1317667723.db2.gz YCDANVLRJKUBHZ-SECBINFHSA-N -1 0 334.422 3.052 20 30 EGEDRM COc1cc(C(C)C)c(S(=O)(=O)[N-]c2ccc(C#N)cn2)cc1C ZINC000903604937 1317710112 /nfs/dbraw/zinc/71/01/12/1317710112.db2.gz QJKYDYCUZZUTIF-UHFFFAOYSA-N -1 0 345.424 3.195 20 30 EGEDRM Cc1nn(C)c2sc(C(=O)/C=C\c3ccc(O)c(C(=O)[O-])c3)cc12 ZINC000809156833 1317777066 /nfs/dbraw/zinc/77/70/66/1317777066.db2.gz LBEXREADWQMFHQ-XQRVVYSFSA-N -1 0 342.376 3.243 20 30 EGEDRM COc1ccc2c(c1F)C/C(=C\c1ccc([N+](=O)[O-])c([O-])c1)C2=O ZINC000809156888 1317777162 /nfs/dbraw/zinc/77/71/62/1317777162.db2.gz OMYVXETYTBFXOF-UXBLZVDNSA-N -1 0 329.283 3.271 20 30 EGEDRM COCc1ccccc1S(=O)(=O)[N-]c1sc2c(c1C#N)CCC2 ZINC000906074982 1318034823 /nfs/dbraw/zinc/03/48/23/1318034823.db2.gz XTTYVBDRNLQMAM-UHFFFAOYSA-N -1 0 348.449 3.056 20 30 EGEDRM CCc1c(C([O-])=C(C#N)C(=O)N[C@H](CC)c2ccccc2)ccn1C ZINC000810710914 1318047095 /nfs/dbraw/zinc/04/70/95/1318047095.db2.gz WUZNIVQYHOPYHG-IAGOWNOFSA-N -1 0 337.423 3.177 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H](Cc2ccccc2)C(C)C)CC1 ZINC000810985332 1318086581 /nfs/dbraw/zinc/08/65/81/1318086581.db2.gz IGMPFEWKANPCDS-INIZCTEOSA-N -1 0 335.469 3.056 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2ccc(C(C)(C)C)s2)CC1 ZINC000810988861 1318087985 /nfs/dbraw/zinc/08/79/85/1318087985.db2.gz ZAZZKLHGRLXSHW-UHFFFAOYSA-N -1 0 327.471 3.214 20 30 EGEDRM C=CCCCCOC(=O)c1ccc2c(c1)[n-]c(=S)n(CC)c2=O ZINC000811010464 1318092089 /nfs/dbraw/zinc/09/20/89/1318092089.db2.gz SYDJBYMOFNQGCI-UHFFFAOYSA-N -1 0 332.425 3.218 20 30 EGEDRM C=CCCN(OCc1ccccc1)C(=O)c1cnc(C2CC2)[nH]c1=O ZINC000907616723 1318240267 /nfs/dbraw/zinc/24/02/67/1318240267.db2.gz JLPXGZLVJWCLFH-UHFFFAOYSA-N -1 0 339.395 3.210 20 30 EGEDRM C=CCc1cc(C(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)cc(OC)c1OC ZINC000908018684 1318291545 /nfs/dbraw/zinc/29/15/45/1318291545.db2.gz LQRKZBUGNWBYDQ-HNNXBMFYSA-N -1 0 349.427 3.052 20 30 EGEDRM C=CC(C)(C)CC(=O)N(CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000908977599 1318422937 /nfs/dbraw/zinc/42/29/37/1318422937.db2.gz YMSCLQCVBUMIMD-UHFFFAOYSA-N -1 0 325.355 3.370 20 30 EGEDRM C=CCC1(CNC(=O)N[C@@H](CCOC(C)(C)C)C(=O)[O-])CCCC1 ZINC000909024902 1318426996 /nfs/dbraw/zinc/42/69/96/1318426996.db2.gz NKXRGWXKUKAQPL-AWEZNQCLSA-N -1 0 340.464 3.081 20 30 EGEDRM C#CCC1(C(=O)N2CC[C@](C(=O)[O-])(c3ccccc3)C2)CCCCC1 ZINC000909862629 1318531955 /nfs/dbraw/zinc/53/19/55/1318531955.db2.gz PFCXVMBOWAZDIT-OAQYLSRUSA-N -1 0 339.435 3.215 20 30 EGEDRM O=C([O-])C1(c2ccccc2)CC(N=Nc2nncc3ccccc32)C1 ZINC000814705494 1318802175 /nfs/dbraw/zinc/80/21/75/1318802175.db2.gz CTTOZQGYNNSLRN-UHFFFAOYSA-N -1 0 332.363 3.214 20 30 EGEDRM COc1cc([N+](=O)[O-])ccc1NN=Cc1cccc(C(=O)[O-])c1Cl ZINC000814823751 1318825063 /nfs/dbraw/zinc/82/50/63/1318825063.db2.gz USQRIWDWNMNAMS-UHFFFAOYSA-N -1 0 349.730 3.401 20 30 EGEDRM CC(N=Nc1nccnc1Cl)c1cccc(OCCCC(=O)[O-])c1 ZINC000814850181 1318831814 /nfs/dbraw/zinc/83/18/14/1318831814.db2.gz BTCREMZRDPBVEH-UHFFFAOYSA-N -1 0 348.790 3.210 20 30 EGEDRM Cc1cc(C)c(C(=O)[O-])cc1CN=Nc1ncnc2ccsc21 ZINC000814878507 1318836875 /nfs/dbraw/zinc/83/68/75/1318836875.db2.gz CHUISVVEUUVEDN-UHFFFAOYSA-N -1 0 326.381 3.452 20 30 EGEDRM CC(CC1(C(=O)[O-])CCC1)N=Nc1ccnc(Br)c1 ZINC000814905876 1318845049 /nfs/dbraw/zinc/84/50/49/1318845049.db2.gz WSAMPXSMPBLFJJ-UHFFFAOYSA-N -1 0 326.194 3.277 20 30 EGEDRM CC(CCc1ccc(O[C@@H](C)C(=O)[O-])cc1)N=Nc1ncccc1F ZINC000814927273 1318852185 /nfs/dbraw/zinc/85/21/85/1318852185.db2.gz FOIFGGJQYUHBGU-ZDUSSCGKSA-N -1 0 345.374 3.493 20 30 EGEDRM O=C([O-])CCOc1cccc(C=NNc2ccc(F)c(F)c2F)c1 ZINC000814946192 1318856879 /nfs/dbraw/zinc/85/68/79/1318856879.db2.gz HDLFNJAESYETNC-UHFFFAOYSA-N -1 0 338.285 3.403 20 30 EGEDRM CC(C)c1ccc2c(c1)C(=N[N-]c1nc(-c3cccnc3)no1)C(=O)N2 ZINC000814949594 1318858145 /nfs/dbraw/zinc/85/81/45/1318858145.db2.gz DNGJZLJHMBTPFZ-UHFFFAOYSA-N -1 0 348.366 3.023 20 30 EGEDRM CCc1nc(C)c(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)o1 ZINC000815908188 1319072396 /nfs/dbraw/zinc/07/23/96/1319072396.db2.gz VIKUEHNPSGGTMQ-JTQLQIEISA-N -1 0 331.759 3.160 20 30 EGEDRM CCc1nc(C)c(C([O-])=C(C#N)C(=O)N[C@H](CC)c2ccccc2)o1 ZINC000816039535 1319092268 /nfs/dbraw/zinc/09/22/68/1319092268.db2.gz YPRLSFQHNHTGHO-HUUCEWRRSA-N -1 0 339.395 3.135 20 30 EGEDRM CCn1cc(C=Nn2c(=S)[n-]nc2C(F)(F)F)c2ccccc21 ZINC000915047803 1319413136 /nfs/dbraw/zinc/41/31/36/1319413136.db2.gz BUBPMXPPFKCQCF-UHFFFAOYSA-N -1 0 339.346 3.442 20 30 EGEDRM C[C@@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])c1ccc2c(c1)CCC(=O)N2 ZINC000915982083 1319579585 /nfs/dbraw/zinc/57/95/85/1319579585.db2.gz OIIORIYCUQMTHL-XEQXHXIFSA-N -1 0 339.351 3.365 20 30 EGEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)CCC(C)C ZINC000917505853 1319823868 /nfs/dbraw/zinc/82/38/68/1319823868.db2.gz QYXDCTXTCMGDOX-CYBMUJFWSA-N -1 0 332.400 3.136 20 30 EGEDRM CCC(=NNc1[n-]cnc2ncnc1-2)c1ccc(Br)cc1 ZINC000917554449 1319836126 /nfs/dbraw/zinc/83/61/26/1319836126.db2.gz OIFLVWWRFVWUFQ-UHFFFAOYSA-N -1 0 345.204 3.342 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2scnc2C(C)C)n1 ZINC000838056935 1320723817 /nfs/dbraw/zinc/72/38/17/1320723817.db2.gz SXHIHZLGZCVMBN-SNVBAGLBSA-N -1 0 349.437 3.065 20 30 EGEDRM C=CCC1(CNC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)CCCC1 ZINC000839787774 1320977235 /nfs/dbraw/zinc/97/72/35/1320977235.db2.gz SZKNDZJJBWEHLB-UHFFFAOYSA-N -1 0 343.452 3.490 20 30 EGEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1ccc(C)c(C)n1)c1ccccc1 ZINC000842342334 1321374696 /nfs/dbraw/zinc/37/46/96/1321374696.db2.gz JAGBREHYYZYBCI-IAGOWNOFSA-N -1 0 335.407 3.288 20 30 EGEDRM Cc1cc2nc(C)cc(C([O-])=C(C#N)c3nc(C4CC4)cs3)n2n1 ZINC000842942063 1321451791 /nfs/dbraw/zinc/45/17/91/1321451791.db2.gz MJIWOVMEZAHLEY-LBPRGKRZSA-N -1 0 337.408 3.170 20 30 EGEDRM C=C[C@@H](C)ON=C([O-])Nc1nnc(C(C)(C)c2ccccc2)s1 ZINC000844531350 1321617316 /nfs/dbraw/zinc/61/73/16/1321617316.db2.gz KAUNELIAXLGCAC-LLVKDONJSA-N -1 0 332.429 3.492 20 30 EGEDRM COc1cc2c(cc1OC)C(=NNc1cccc(C(=O)[O-])c1C)CC2 ZINC000844623746 1321626306 /nfs/dbraw/zinc/62/63/06/1321626306.db2.gz RGKSAYJOLPAVED-UHFFFAOYSA-N -1 0 340.379 3.473 20 30 EGEDRM C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccc(SC2CCCC2)cc1 ZINC000846151568 1321772163 /nfs/dbraw/zinc/77/21/63/1321772163.db2.gz BBGZSWVXSMBVRI-GFCCVEGCSA-N -1 0 334.441 3.282 20 30 EGEDRM C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccc(S[C@H](C)CC)cc1C ZINC000846156098 1321772462 /nfs/dbraw/zinc/77/24/62/1321772462.db2.gz SPIMMJHIJRRJLV-CHWSQXEVSA-N -1 0 336.457 3.446 20 30 EGEDRM C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccc(SC(C)(C)C)c(F)c1 ZINC000846157291 1321772573 /nfs/dbraw/zinc/77/25/73/1321772573.db2.gz TXZQLDHQLOXLEK-SNVBAGLBSA-N -1 0 340.420 3.277 20 30 EGEDRM C=CCN(CC(=O)[O-])Cc1csc(-c2ccc(OCC)cc2)n1 ZINC000846263167 1321781034 /nfs/dbraw/zinc/78/10/34/1321781034.db2.gz CMIKXHLHQVSXAX-UHFFFAOYSA-N -1 0 332.425 3.281 20 30 EGEDRM C=C[C@H](C)O[N-]C(=O)CSc1nc(C)c(Cc2ccccc2)[nH]1 ZINC000846540928 1321791756 /nfs/dbraw/zinc/79/17/56/1321791756.db2.gz BWBHCFJEPGBZIA-LBPRGKRZSA-N -1 0 331.441 3.023 20 30 EGEDRM C=C[C@H](C)O[N-]C(=O)Cc1sc(SCC(=C)Cl)nc1C ZINC000846554124 1321792989 /nfs/dbraw/zinc/79/29/89/1321792989.db2.gz HGOAFXPOIZJQFG-VIFPVBQESA-N -1 0 332.878 3.461 20 30 EGEDRM C=C[C@@H](C)O[N-]C(=O)Cc1sc(SC(F)(F)F)nc1C ZINC000846554096 1321793398 /nfs/dbraw/zinc/79/33/98/1321793398.db2.gz HKSKISNGZJFAQE-ZCFIWIBFSA-N -1 0 326.365 3.228 20 30 EGEDRM CC1(C)Cc2cccc(C([O-])=C(C#N)C(=O)NCc3ccccc3)c2O1 ZINC000847624931 1321885769 /nfs/dbraw/zinc/88/57/69/1321885769.db2.gz ZASBCDLZNCXDIO-KRWDZBQOSA-N -1 0 348.402 3.039 20 30 EGEDRM Cn1ncc(C2CC2)c1C/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000849171721 1322093735 /nfs/dbraw/zinc/09/37/35/1322093735.db2.gz FEJWVYQZLMCAGI-UBKPWBPPSA-N -1 0 334.763 3.184 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])C=Cc2ccccc2F)n1 ZINC000920326760 1322163879 /nfs/dbraw/zinc/16/38/79/1322163879.db2.gz DHRDLLQYSKXXRW-KRZKBDHCSA-N -1 0 344.367 3.349 20 30 EGEDRM COC(=O)c1oc(/C=C2\CCc3oc(C(=O)[O-])c(C)c3C2=O)cc1C ZINC000853004115 1323258691 /nfs/dbraw/zinc/25/86/91/1323258691.db2.gz GISIVFULFUTONO-JXMROGBWSA-N -1 0 344.319 3.187 20 30 EGEDRM C=CCCO[N-]C(=O)[C@H]1CN(C(=O)OC(C)(C)C)Cc2ccccc21 ZINC000856027616 1325439327 /nfs/dbraw/zinc/43/93/27/1325439327.db2.gz UAZMTYMDYOEFCL-INIZCTEOSA-N -1 0 346.427 3.145 20 30 EGEDRM O=C(C=C([O-])c1ccc(Cl)cc1)CCC(=O)NC1=CC(=O)CCC1 ZINC001184118873 1387395986 /nfs/dbraw/zinc/39/59/86/1387395986.db2.gz HSSGEHOEUQFHDB-UHFFFAOYSA-N -1 0 347.798 3.015 20 30 EGEDRM O=C(CCC(=O)N1CCC2(CC(OCC3CC3)C2)CC1)C1=CC=C[CH]1 ZINC001184244810 1387419690 /nfs/dbraw/zinc/41/96/90/1387419690.db2.gz MOHYCYQXJCZNRZ-UHFFFAOYSA-N -1 0 342.459 3.234 20 30 EGEDRM N#Cc1cc(F)c(C(=O)[N-]c2c3nonc3ccc2Cl)c(F)c1 ZINC001324139324 1387547642 /nfs/dbraw/zinc/54/76/42/1387547642.db2.gz AVWTZXSMLCIQND-UHFFFAOYSA-N -1 0 334.669 3.278 20 30 EGEDRM Cc1coc([N-]C(=O)c2nc(C)c(Br)s2)c1C#N ZINC001184878418 1387552580 /nfs/dbraw/zinc/55/25/80/1387552580.db2.gz MGJKPIJZRFSNAM-UHFFFAOYSA-N -1 0 326.175 3.239 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2nc(Cl)ccc2C#N)ccc1Cl ZINC001185496168 1387732441 /nfs/dbraw/zinc/73/24/41/1387732441.db2.gz GVQOTHPEBLLVML-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM COc1cccc(C#N)c1[N-]S(=O)(=O)c1ccc(Cl)c(C)c1 ZINC001185524563 1387738423 /nfs/dbraw/zinc/73/84/23/1387738423.db2.gz JSBIJSZPXZPGKY-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM N#Cc1ccc(Cl)cc1[N-]S(=O)(=O)Cc1ccc(F)c(F)c1 ZINC001189317337 1366987840 /nfs/dbraw/zinc/98/78/40/1366987840.db2.gz FVDDYNZFRLIZPT-UHFFFAOYSA-N -1 0 342.754 3.432 20 30 EGEDRM Cc1sc([N-]S(=O)(=O)Cc2cc(F)ccc2F)c(C#N)c1C ZINC001189649060 1367077731 /nfs/dbraw/zinc/07/77/31/1367077731.db2.gz LLDWHMGTTISKNC-UHFFFAOYSA-N -1 0 342.392 3.457 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2)c1 ZINC001190648041 1367315417 /nfs/dbraw/zinc/31/54/17/1367315417.db2.gz HAUITIGRMWPCOS-UHFFFAOYSA-N -1 0 328.727 3.291 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)N[C@H]2CCCc3c(F)cccc32)c1 ZINC001190677021 1367326314 /nfs/dbraw/zinc/32/63/14/1367326314.db2.gz HASQPJRILQSLTK-INIZCTEOSA-N -1 0 348.374 3.192 20 30 EGEDRM NC(=NC(=O)c1ccc([O-])c(F)c1F)c1ccc2cc(O)ccc2c1 ZINC001192842472 1367885928 /nfs/dbraw/zinc/88/59/28/1367885928.db2.gz IHOBRKLUFPCRHE-UHFFFAOYSA-N -1 0 342.301 3.075 20 30 EGEDRM C[C@H](C#N)S(=O)(=O)[N-]c1cc(F)cc2c1-c1ccc(F)cc1C2 ZINC001193162193 1367957071 /nfs/dbraw/zinc/95/70/71/1367957071.db2.gz WFESKCLKVRZUDT-SECBINFHSA-N -1 0 334.347 3.190 20 30 EGEDRM CCC[C@@H](C(=O)c1ccccc1)N(C)C(=O)c1cccc(C#N)c1[O-] ZINC001193646749 1368082658 /nfs/dbraw/zinc/08/26/58/1368082658.db2.gz NGBVBQPVSWNWMI-KRWDZBQOSA-N -1 0 336.391 3.387 20 30 EGEDRM CCC[C@H](C(=O)c1ccccc1)N(C)C(=O)c1cccc(C#N)c1[O-] ZINC001193646751 1368082838 /nfs/dbraw/zinc/08/28/38/1368082838.db2.gz NGBVBQPVSWNWMI-QGZVFWFLSA-N -1 0 336.391 3.387 20 30 EGEDRM Cc1c(Br)ccc(N)c1NC(=O)c1cccc(C#N)c1[O-] ZINC001193652741 1368085852 /nfs/dbraw/zinc/08/58/52/1368085852.db2.gz NUXWYCXUCSATNE-UHFFFAOYSA-N -1 0 346.184 3.169 20 30 EGEDRM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ncccc1C(F)(F)F ZINC001194568581 1368288793 /nfs/dbraw/zinc/28/87/93/1368288793.db2.gz HFKPSXIKYDXRJT-UHFFFAOYSA-N -1 0 341.314 3.081 20 30 EGEDRM N#Cc1c(Cl)c(Cl)ccc1[N-]S(=O)(=O)C1CCC(=O)CC1 ZINC001194807237 1368328502 /nfs/dbraw/zinc/32/85/02/1368328502.db2.gz GHUMWUPLITWTBY-UHFFFAOYSA-N -1 0 347.223 3.118 20 30 EGEDRM Cn1cncc1-c1cccc(C(=O)Nc2cc(C#N)c(F)cc2[O-])c1 ZINC001194908082 1368346032 /nfs/dbraw/zinc/34/60/32/1368346032.db2.gz SZEKEJCGVFJIRE-UHFFFAOYSA-N -1 0 336.326 3.056 20 30 EGEDRM N#Cc1ccc(C(=O)N2CCn3cccc3[C@@H]2c2ccccc2)c([O-])c1 ZINC001195733582 1368479405 /nfs/dbraw/zinc/47/94/05/1368479405.db2.gz RNTFOHKZUYIFDV-FQEVSTJZSA-N -1 0 343.386 3.311 20 30 EGEDRM COc1ccc(-n2cccc2)c(NC(=O)c2ccc(C#N)cc2[O-])c1 ZINC001195751820 1368482851 /nfs/dbraw/zinc/48/28/51/1368482851.db2.gz YCCVYTLSHJXSFB-UHFFFAOYSA-N -1 0 333.347 3.315 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2ccc(N3CCCCC3)c(C#N)c2)c([O-])c1 ZINC001195758660 1368483267 /nfs/dbraw/zinc/48/32/67/1368483267.db2.gz PNBMUWXSCACSML-UHFFFAOYSA-N -1 0 346.390 3.378 20 30 EGEDRM N#CCCN(Cc1cccnc1)C(=O)c1cc(Cl)c(F)cc1[O-] ZINC001196458620 1368618985 /nfs/dbraw/zinc/61/89/85/1368618985.db2.gz ITRCHCGVKLPFGR-UHFFFAOYSA-N -1 0 333.750 3.136 20 30 EGEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2c(c1)CCC2=O ZINC001196680693 1368661281 /nfs/dbraw/zinc/66/12/81/1368661281.db2.gz YROBCDCUKQLAFL-UHFFFAOYSA-N -1 0 346.795 3.141 20 30 EGEDRM COc1ccc(F)c(S(=O)(=O)[N-]c2cccc(C(C)(C)C#N)c2)c1 ZINC001196762580 1368678870 /nfs/dbraw/zinc/67/88/70/1368678870.db2.gz AHVYZUSNNQAFIF-UHFFFAOYSA-N -1 0 348.399 3.436 20 30 EGEDRM COc1ccc(F)c(S(=O)(=O)[N-]c2cc(Cl)ccc2C#N)c1 ZINC001196763527 1368679023 /nfs/dbraw/zinc/67/90/23/1368679023.db2.gz ZKLYSLSSXJWSQS-UHFFFAOYSA-N -1 0 340.763 3.160 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2C#N)cn1 ZINC001198317503 1369008536 /nfs/dbraw/zinc/00/85/36/1369008536.db2.gz KFSXRYREKHMJOR-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM CC(C)(C)c1noc([N-]S(=O)(=O)c2ccc3occc3c2)c1C#N ZINC001198826384 1369122907 /nfs/dbraw/zinc/12/29/07/1369122907.db2.gz LKAXTEZVCPRARG-UHFFFAOYSA-N -1 0 345.380 3.391 20 30 EGEDRM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C#N)c(C)c1 ZINC001198942006 1369153607 /nfs/dbraw/zinc/15/36/07/1369153607.db2.gz PINYVNIRKQBWMD-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM C=CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(C)c1F ZINC001200799365 1369431104 /nfs/dbraw/zinc/43/11/04/1369431104.db2.gz VNMRXEVDXOKLOV-UHFFFAOYSA-N -1 0 349.383 3.278 20 30 EGEDRM Cc1cccc(S(=O)(=O)Nc2cc(F)c(F)c(C#N)c2F)c1F ZINC001200816648 1369433648 /nfs/dbraw/zinc/43/36/48/1369433648.db2.gz XUFRIGGZNKOVPH-UHFFFAOYSA-N -1 0 344.289 3.224 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2cnccc2C(F)(F)F)cc1C#N ZINC001201292118 1369511844 /nfs/dbraw/zinc/51/18/44/1369511844.db2.gz BBOYEKYHNFFGIJ-UHFFFAOYSA-N -1 0 341.314 3.081 20 30 EGEDRM N#Cc1ccc(F)c(F)c1NC(=O)c1cc(F)c(F)c([O-])c1F ZINC001186779821 1388008494 /nfs/dbraw/zinc/00/84/94/1388008494.db2.gz OEIPXZPOMRTRER-UHFFFAOYSA-N -1 0 328.196 3.212 20 30 EGEDRM CCCCCCCCCCS(=O)(=O)[N-]c1nccn2cnnc12 ZINC001201833645 1369630963 /nfs/dbraw/zinc/63/09/63/1369630963.db2.gz AMEFCEDIWRGCSQ-UHFFFAOYSA-N -1 0 339.465 3.007 20 30 EGEDRM CC(C)(C)OC(=O)NCc1cncc(Nc2scc([O-])c2C#N)c1 ZINC001203596992 1370182829 /nfs/dbraw/zinc/18/28/29/1370182829.db2.gz FMNMUSJRSBEMIS-UHFFFAOYSA-N -1 0 346.412 3.489 20 30 EGEDRM O=C(CCc1nc(-c2ncccc2Br)no1)C1=CC=C[CH]1 ZINC001204656006 1370537899 /nfs/dbraw/zinc/53/78/99/1370537899.db2.gz FBBDTVCUEWKSJB-UHFFFAOYSA-N -1 0 345.176 3.096 20 30 EGEDRM N#CCc1ccc(S(=O)(=O)[N-]c2nc(-c3ccco3)cs2)cc1 ZINC001116198498 1370858009 /nfs/dbraw/zinc/85/80/09/1370858009.db2.gz SYRSJMFXGZDFLH-UHFFFAOYSA-N -1 0 345.405 3.270 20 30 EGEDRM C=CC[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC001116922560 1371001081 /nfs/dbraw/zinc/00/10/81/1371001081.db2.gz UXKIGNJYNKPGAA-LOWVWBTDSA-N -1 0 328.195 3.242 20 30 EGEDRM C=CC[C@@H](NC(=O)c1occc1CSc1ccccc1)C(=O)[O-] ZINC001116922367 1371001358 /nfs/dbraw/zinc/00/13/58/1371001358.db2.gz QWGHHMUELNPWAW-CQSZACIVSA-N -1 0 331.393 3.331 20 30 EGEDRM COC(=O)c1cc(C#N)cc(C)c1Nc1cc(F)cc(C(=O)[O-])c1 ZINC001209894575 1372225776 /nfs/dbraw/zinc/22/57/76/1372225776.db2.gz XYIQLTIJMPFHCS-UHFFFAOYSA-N -1 0 328.299 3.234 20 30 EGEDRM CCc1cc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)nn1C ZINC001122502087 1372261234 /nfs/dbraw/zinc/26/12/34/1372261234.db2.gz CWHKNPZCLQOPPW-NSHDSACASA-N -1 0 328.372 3.221 20 30 EGEDRM Cc1sc(Br)c(C([O-])=C(C#N)c2nccn2C)c1C ZINC001122517527 1372265554 /nfs/dbraw/zinc/26/55/54/1372265554.db2.gz DJGAUXHJVCKKNZ-VIFPVBQESA-N -1 0 338.230 3.351 20 30 EGEDRM COc1cccc(Nc2cc(S(=O)(=O)[O-])ccc2Cl)c1C#N ZINC001210127277 1372276921 /nfs/dbraw/zinc/27/69/21/1372276921.db2.gz UZOHOQUVOCDOLG-UHFFFAOYSA-N -1 0 338.772 3.211 20 30 EGEDRM C[C@@H]1CC(=O)C=C(Nc2ccc3ccccc3c2S(=O)(=O)[O-])C1 ZINC001210772358 1372424413 /nfs/dbraw/zinc/42/44/13/1372424413.db2.gz BLWAGFWYHOUEED-NSHDSACASA-N -1 0 331.393 3.381 20 30 EGEDRM Nc1ccccc1C(=Nc1ccc(C(=O)[O-])c(C(F)(F)F)c1)NO ZINC001211490403 1372567202 /nfs/dbraw/zinc/56/72/02/1372567202.db2.gz WNADNKPIQWUIPU-UHFFFAOYSA-N -1 0 339.273 3.043 20 30 EGEDRM CCOC(=O)c1c(C)oc(Nc2ccc(C)c(C(=O)[O-])c2)c1C#N ZINC001211596823 1372588131 /nfs/dbraw/zinc/58/81/31/1372588131.db2.gz MERAGLJIPGUETA-UHFFFAOYSA-N -1 0 328.324 3.387 20 30 EGEDRM N#Cc1ccc(F)c(Nc2ccc(NC(=O)CCC(=O)[O-])cc2)c1 ZINC001213189829 1372856388 /nfs/dbraw/zinc/85/63/88/1372856388.db2.gz MIMHPOYQXYHHCK-UHFFFAOYSA-N -1 0 327.315 3.244 20 30 EGEDRM COc1ccc(C#N)cc1Nc1ccc(NC(=O)CCC(=O)[O-])cc1 ZINC001213194937 1372857365 /nfs/dbraw/zinc/85/73/65/1372857365.db2.gz YYVBNXOXEHAWRJ-UHFFFAOYSA-N -1 0 339.351 3.114 20 30 EGEDRM C#Cc1ccccc1[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC001188071658 1388235302 /nfs/dbraw/zinc/23/53/02/1388235302.db2.gz XOTKUBFYRVXYQV-UHFFFAOYSA-N -1 0 327.192 3.171 20 30 EGEDRM N#Cc1cc2cccnc2nc1Nc1c(F)cc(C(=O)[O-])cc1F ZINC001215608723 1373216440 /nfs/dbraw/zinc/21/64/40/1373216440.db2.gz GWHOENZJQZVFQB-UHFFFAOYSA-N -1 0 326.262 3.221 20 30 EGEDRM N#Cc1cccc(-c2nc(-c3ncccc3Br)no2)c1[O-] ZINC001216980012 1373374809 /nfs/dbraw/zinc/37/48/09/1373374809.db2.gz OLRROUHASWANPF-UHFFFAOYSA-N -1 0 343.140 3.138 20 30 EGEDRM C=CC[C@H](NC(=O)NCc1ccc(OC2CCCCC2)cc1)C(=O)[O-] ZINC001326929123 1388353477 /nfs/dbraw/zinc/35/34/77/1388353477.db2.gz CJKAKZFUJPZRSR-KRWDZBQOSA-N -1 0 346.427 3.227 20 30 EGEDRM C=CC[C@@H](Oc1nc(C(=O)OC)cc(=O)[n-]1)c1ccc(Cl)cc1 ZINC001225729886 1375150803 /nfs/dbraw/zinc/15/08/03/1375150803.db2.gz DZHLOOOIWPGZNB-CYBMUJFWSA-N -1 0 334.759 3.318 20 30 EGEDRM O=C(c1ccc(F)cc1)N1CCC(Oc2cccc(/C=N/O)c2)CC1 ZINC001226117096 1375206356 /nfs/dbraw/zinc/20/63/56/1375206356.db2.gz XVPHKIQNRNKUQP-FYJGNVAPSA-N -1 0 342.370 3.317 20 30 EGEDRM C=CC[C@@H](CCCC)Oc1c(C(=O)OCC)c[nH]c(=O)c1[N+](=O)[O-] ZINC001226323722 1375240384 /nfs/dbraw/zinc/24/03/84/1375240384.db2.gz GXUOXMKULYTBBI-NSHDSACASA-N -1 0 338.360 3.386 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)CCc2ccc(Cl)cc2)s1 ZINC001189075916 1388453964 /nfs/dbraw/zinc/45/39/64/1388453964.db2.gz ONIPHZVEHBJAAF-UHFFFAOYSA-N -1 0 326.830 3.258 20 30 EGEDRM Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(-c2cncc(C(=O)[O-])c2)n1 ZINC001241802634 1377020813 /nfs/dbraw/zinc/02/08/13/1377020813.db2.gz IJOHYROIPCKCNN-BYRGXMRHSA-N -1 0 345.424 3.031 20 30 EGEDRM CCc1nc(C#N)c(C#N)nc1-c1cc(OC(F)(F)F)ccc1[O-] ZINC001244458469 1377037685 /nfs/dbraw/zinc/03/76/85/1377037685.db2.gz NYXOXXKWKWJDSO-UHFFFAOYSA-N -1 0 334.257 3.054 20 30 EGEDRM CC(=O)c1cccc(S(=O)(=O)[N-]c2c(Cl)cccc2C#N)c1 ZINC001189233091 1388490527 /nfs/dbraw/zinc/49/05/27/1388490527.db2.gz YSEHWNNCNQZQHC-UHFFFAOYSA-N -1 0 334.784 3.215 20 30 EGEDRM O=C1C=C2CN(Cc3cc(Cl)c([O-])c(Cl)c3)CC[C@@H]2S1 ZINC001140835504 1378155880 /nfs/dbraw/zinc/15/58/80/1378155880.db2.gz XNDZOLMMYRDREE-LBPRGKRZSA-N -1 0 330.236 3.473 20 30 EGEDRM N#Cc1sccc1NC(=O)c1cc(=O)c2cc(Cl)ccc2[n-]1 ZINC001153900282 1380152306 /nfs/dbraw/zinc/15/23/06/1380152306.db2.gz WKESXPFXEPXLSS-UHFFFAOYSA-N -1 0 329.768 3.367 20 30 EGEDRM COc1cccc(NC(=O)c2ccc3ccc(C)nc3c2[O-])c1C#N ZINC001155659085 1380479731 /nfs/dbraw/zinc/47/97/31/1380479731.db2.gz ZVFOEVAQOPCCSM-UHFFFAOYSA-N -1 0 333.347 3.381 20 30 EGEDRM Cc1[nH]nc(NC(=O)c2ccc(C#N)c([O-])c2)c1-c1cccc(F)c1 ZINC001306083010 1383872789 /nfs/dbraw/zinc/87/27/89/1383872789.db2.gz FLCPIMHBOSOFQX-UHFFFAOYSA-N -1 0 336.326 3.354 20 30 EGEDRM N#Cc1cc(Nc2cncc(C(=O)[O-])c2)c(Br)cc1F ZINC001175843173 1385420012 /nfs/dbraw/zinc/42/00/12/1385420012.db2.gz ZQQJZQZQEUUJEW-UHFFFAOYSA-N -1 0 336.120 3.297 20 30 EGEDRM C=CCn1cc(Nc2ccc(S(=O)(=O)[O-])c3ccccc23)cn1 ZINC001176548921 1385621573 /nfs/dbraw/zinc/62/15/73/1385621573.db2.gz USXXRULINYTSRS-UHFFFAOYSA-N -1 0 329.381 3.213 20 30 EGEDRM C=CC[C@H](C(=O)OCC(=O)c1ccc(O)cc1O)c1ccccc1 ZINC001320455098 1386614005 /nfs/dbraw/zinc/61/40/05/1386614005.db2.gz GOMKMDIODVZEAI-HNNXBMFYSA-N -1 0 326.348 3.184 20 30 EGEDRM C=CC[C@H](NC(=O)NCC1(c2cccc(C)c2)CCCC1)C(=O)[O-] ZINC001321144882 1386821075 /nfs/dbraw/zinc/82/10/75/1386821075.db2.gz KOFSEGVTCFSSFJ-INIZCTEOSA-N -1 0 330.428 3.135 20 30 EGEDRM C=CC[C@H](NC(=O)NC[C@@H](C)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC001321145659 1386821666 /nfs/dbraw/zinc/82/16/66/1386821666.db2.gz XMQJEKYFSDOSBW-SKDRFNHKSA-N -1 0 345.226 3.425 20 30 EGEDRM C[C@H](CC(=O)c1ccccc1)C(=O)Nc1cc(C#N)c(F)cc1[O-] ZINC001182166606 1387115540 /nfs/dbraw/zinc/11/55/40/1387115540.db2.gz FWHDXQKYCDHZSS-LLVKDONJSA-N -1 0 326.327 3.251 20 30 EGEDRM C#CC[C@@H](NC(=O)N1CCCC[C@@H]1CCC(=O)[O-])c1ccccc1 ZINC001339859237 1390177164 /nfs/dbraw/zinc/17/71/64/1390177164.db2.gz VAMQOYVXJOSBFN-IAGOWNOFSA-N -1 0 328.412 3.180 20 30 EGEDRM Cc1cc(CCC(=O)C(C#N)=C([O-])c2c(C)[nH]c3ccccc32)no1 ZINC001342512170 1390620737 /nfs/dbraw/zinc/62/07/37/1390620737.db2.gz YYWNONQXKCWHCZ-HNNXBMFYSA-N -1 0 335.363 3.297 20 30 EGEDRM N#CC(=C([O-])c1nccc2ccccc21)c1nc(N)c2ccccc2n1 ZINC001342566109 1390627045 /nfs/dbraw/zinc/62/70/45/1390627045.db2.gz MPECVIXMXUGMRA-HNNXBMFYSA-N -1 0 339.358 3.250 20 30 EGEDRM C=CC[C@@H](NC(=O)[C@@H](C)Cc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC001344551797 1390799154 /nfs/dbraw/zinc/79/91/54/1390799154.db2.gz GEKGMTOCBXKTBD-TVQRCGJNSA-N -1 0 330.211 3.318 20 30 EGEDRM C=CC[C@H](NC(=O)[C@@H](C)Cc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC001344551800 1390799216 /nfs/dbraw/zinc/79/92/16/1390799216.db2.gz GEKGMTOCBXKTBD-ZANVPECISA-N -1 0 330.211 3.318 20 30 EGEDRM CCn1ccnc1C(C#N)=C([O-])[C@H](C(=O)OC(C)(C)C)C1CCCC1 ZINC001345647264 1390871907 /nfs/dbraw/zinc/87/19/07/1390871907.db2.gz UMZYWBKIHOTXGK-LSDHHAIUSA-N -1 0 345.443 3.227 20 30 EGEDRM CC(C)c1nc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)cs1 ZINC001346014321 1390900923 /nfs/dbraw/zinc/90/09/23/1390900923.db2.gz PWLAUTDGJYTUEV-NSHDSACASA-N -1 0 337.408 3.282 20 30 EGEDRM CCO[C@H](C)c1ncc(C([O-])=C(C#N)c2ncc(Cl)n2C)s1 ZINC001346095578 1390906999 /nfs/dbraw/zinc/90/69/99/1390906999.db2.gz GOUIEAVOUOEDST-RKDXNWHRSA-N -1 0 338.820 3.118 20 30 EGEDRM FC(F)(F)c1ccccc1ON=Cc1cc(-c2nn[n-]n2)cs1 ZINC000826369277 1427880124 /nfs/dbraw/zinc/88/01/24/1427880124.db2.gz VKWJTHDBDCHYBY-UHFFFAOYSA-N -1 0 339.302 3.360 20 30 EGEDRM Cc1cc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)ccc1Cl ZINC000826266494 1423385862 /nfs/dbraw/zinc/38/58/62/1423385862.db2.gz QIQZACITMSOXAV-UHFFFAOYSA-N -1 0 348.197 3.323 20 30 EGEDRM CC(C)(C#N)OC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000824059168 1425973066 /nfs/dbraw/zinc/97/30/66/1425973066.db2.gz NVLCKJYZIBJEJN-UHFFFAOYSA-N -1 0 349.350 3.118 20 30 EGEDRM C#CCCCCCC(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000823840954 1426210891 /nfs/dbraw/zinc/21/08/91/1426210891.db2.gz GZRLNVPPJOZQJF-UHFFFAOYSA-N -1 0 341.415 3.176 20 30 EGEDRM N#CCCCOc1cccc(NCc2ccc(-c3nn[n-]n3)s2)c1 ZINC000822806471 1426723845 /nfs/dbraw/zinc/72/38/45/1426723845.db2.gz NTSFLTPBNSEAIK-UHFFFAOYSA-N -1 0 340.412 3.223 20 30 EGEDRM N#Cc1ccc(OCCCSc2ccccc2-c2nn[n-]n2)cc1 ZINC000822833809 1426984377 /nfs/dbraw/zinc/98/43/77/1426984377.db2.gz VXJWBVQDOFLZEL-UHFFFAOYSA-N -1 0 337.408 3.300 20 30 EGEDRM Cc1c(C(=O)C=Cc2cccc(C)c2C)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737391469 1430026799 /nfs/dbraw/zinc/02/67/99/1430026799.db2.gz BSCMIYAXOQUZBW-KTKRTIGZSA-N -1 0 347.422 3.436 20 30 EGEDRM C[C@@H](C#N)CN(C)Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000735504234 1441682792 /nfs/dbraw/zinc/68/27/92/1441682792.db2.gz MHUGCOXLGRHQHP-AWEZNQCLSA-N -1 0 332.411 3.125 20 30 EGEDRM COc1ccc(C=NNc2cccc3ccccc32)cc1-c1nn[n-]n1 ZINC000737081807 1443244584 /nfs/dbraw/zinc/24/45/84/1443244584.db2.gz CDLHOCKPFKOTJT-UHFFFAOYSA-N -1 0 344.378 3.475 20 30 EGEDRM CCCCCCCCOCC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736447752 1443295727 /nfs/dbraw/zinc/29/57/27/1443295727.db2.gz HPWMLESJSZZEGX-UHFFFAOYSA-N -1 0 349.410 3.321 20 30 EGEDRM C=CCCC[C@@H](C)OC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000823894497 1446447592 /nfs/dbraw/zinc/44/75/92/1446447592.db2.gz ROUYKUHJEFOQAV-CYBMUJFWSA-N -1 0 346.456 3.388 20 30 EGEDRM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1c[nH]c2cc(F)ccc12 ZINC000826402315 1446622190 /nfs/dbraw/zinc/62/21/90/1446622190.db2.gz QUQMKRSGMWOXEN-YVMONPNESA-N -1 0 333.326 3.383 20 30 EGEDRM C[C@@H](CN=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccc(F)cc1 ZINC000824385009 1447262905 /nfs/dbraw/zinc/26/29/05/1447262905.db2.gz JVMLZQIJTHAADH-VIFPVBQESA-N -1 0 345.769 3.256 20 30 EGEDRM C=C(CNC(=O)NC[C@](C)(C(=O)[O-])c1ccccc1)c1ccccc1 ZINC001602712363 971355646 /nfs/dbraw/zinc/35/56/46/971355646.db2.gz OJONLPHGVXJBEZ-FQEVSTJZSA-N -1 0 338.407 3.042 20 30 EGEDRM C=CCn1cc2ccc(NC(=O)[C@H](C(=O)[O-])C3CCCC3)cc2n1 ZINC001602730874 971410219 /nfs/dbraw/zinc/41/02/19/971410219.db2.gz HOVHVSGRAVHNTL-MRXNPFEDSA-N -1 0 327.384 3.052 20 30 EGEDRM CCCNc1ccc(C#N)cc1NC(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001589677923 950022707 /nfs/dbraw/zinc/02/27/07/950022707.db2.gz YALHKLBZERDKDW-VMPITWQZSA-N -1 0 339.351 3.323 20 30 EGEDRM C=CCOc1ccc(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])cc1OC ZINC000262158310 950075295 /nfs/dbraw/zinc/07/52/95/950075295.db2.gz CKFQVLSNECPNOV-OAHLLOKOSA-N -1 0 347.411 3.120 20 30 EGEDRM CCOc1ccc(C#N)cc1NC(=O)C1(C(=O)[O-])CCCCCC1 ZINC001592343377 951323472 /nfs/dbraw/zinc/32/34/72/951323472.db2.gz MKVXLAJBXKGOJN-UHFFFAOYSA-N -1 0 330.384 3.321 20 30 EGEDRM CC(C)(C)Oc1ccc(NC(=O)NC2(C(=O)[O-])CCCC2)cc1C#N ZINC001602916942 971874669 /nfs/dbraw/zinc/87/46/69/971874669.db2.gz MODJLYLWKKCARL-UHFFFAOYSA-N -1 0 345.399 3.254 20 30 EGEDRM O=C([O-])[C@@H](C(=O)Nc1cccc(C#Cc2cccs2)c1)C1CC1 ZINC001594837146 954035947 /nfs/dbraw/zinc/03/59/47/954035947.db2.gz GWZVMHCAMUGOMF-MRXNPFEDSA-N -1 0 325.389 3.197 20 30 EGEDRM O=C([O-])[C@]1(C(=O)N(O)Cc2cccc3ccccc32)CC=CCC1 ZINC001594844783 954128684 /nfs/dbraw/zinc/12/86/84/954128684.db2.gz SJXANFVDYGCIOC-LJQANCHMSA-N -1 0 325.364 3.369 20 30 EGEDRM CC(C)(C)CN(CC(=O)[O-])c1cc(Br)ccc1C#N ZINC000692091584 954693031 /nfs/dbraw/zinc/69/30/31/954693031.db2.gz BDCLPACYOCIUOG-UHFFFAOYSA-N -1 0 325.206 3.258 20 30 EGEDRM CC(C)Oc1ccc(NC(=O)Cc2ccccc2C(=O)[O-])cc1C#N ZINC000833506829 955555323 /nfs/dbraw/zinc/55/53/23/955555323.db2.gz OJYLSFGUMCHRCA-UHFFFAOYSA-N -1 0 338.363 3.225 20 30 EGEDRM N#CC1(c2ccc(COC(=O)c3coc(/C=C\C(=O)[O-])c3)cc2)CC1 ZINC001594602910 956152343 /nfs/dbraw/zinc/15/23/43/956152343.db2.gz UFWGZBOWZHGODN-WAYWQWQTSA-N -1 0 337.331 3.290 20 30 EGEDRM N#CCN(C(=O)Cc1ccccc1C(=O)[O-])c1ccc(Cl)cc1 ZINC001594610276 956200837 /nfs/dbraw/zinc/20/08/37/956200837.db2.gz ULYMOGQYQYZYDX-UHFFFAOYSA-N -1 0 328.755 3.137 20 30 EGEDRM N#CCc1ccc(C(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)cc1 ZINC001594611517 956215965 /nfs/dbraw/zinc/21/59/65/956215965.db2.gz SGBVEXBPCGHRMD-UHFFFAOYSA-N -1 0 348.402 3.471 20 30 EGEDRM N#Cc1c(NC(=O)[C@@H]2CC[C@H]2C(=O)[O-])sc2c1CCCCCC2 ZINC001594614268 956229307 /nfs/dbraw/zinc/22/93/07/956229307.db2.gz NWRJYDRLMGOEBJ-VXGBXAGGSA-N -1 0 332.425 3.328 20 30 EGEDRM N#Cc1cc(F)c(C(F)(F)F)cc1N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001594616173 956239000 /nfs/dbraw/zinc/23/90/00/956239000.db2.gz KMDBTEVUNHUETB-WDEREUQCSA-N -1 0 342.292 3.263 20 30 EGEDRM N#Cc1cc(NC(=O)[C@@]2(C(=O)[O-])CC=CCC2)ccc1Br ZINC001594616746 956244208 /nfs/dbraw/zinc/24/42/08/956244208.db2.gz ZHQGLEBNUKEAAO-OAHLLOKOSA-N -1 0 349.184 3.070 20 30 EGEDRM N#Cc1ccc(-c2csc(NC(=O)C3(C(=O)[O-])CC=CC3)n2)cc1 ZINC001594617841 956254581 /nfs/dbraw/zinc/25/45/81/956254581.db2.gz ZRMJIUYVJVWZHM-UHFFFAOYSA-N -1 0 339.376 3.041 20 30 EGEDRM N#Cc1ccc(C2CCN(C(=O)[C@]3(C(=O)[O-])CC=CCC3)CC2)cc1 ZINC001594618695 956266530 /nfs/dbraw/zinc/26/65/30/956266530.db2.gz WOKWZCABKRGYOA-FQEVSTJZSA-N -1 0 338.407 3.075 20 30 EGEDRM N#Cc1cnc(NCc2cccc(C(=O)[O-])c2)c(Br)c1 ZINC001594633496 956358588 /nfs/dbraw/zinc/35/85/88/956358588.db2.gz TZXNCORWFHFTKH-UHFFFAOYSA-N -1 0 332.157 3.026 20 30 EGEDRM C=CCCc1ccccc1NC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000926112262 957146170 /nfs/dbraw/zinc/14/61/70/957146170.db2.gz QOUSZQDLYLSAKJ-JKSUJKDBSA-N -1 0 328.412 3.380 20 30 EGEDRM C#C[C@@H](NC(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1ccc(Cl)cc1 ZINC001588385414 957972115 /nfs/dbraw/zinc/97/21/15/957972115.db2.gz FVOIRZNRUKNVPW-CZUORRHYSA-N -1 0 348.830 3.301 20 30 EGEDRM Cc1cc(NC(=O)N[C@@H]2CCc3cc(C#N)ccc32)ccc1C(=O)[O-] ZINC001594320123 958120514 /nfs/dbraw/zinc/12/05/14/958120514.db2.gz OOHHOIQZAGAQBC-QGZVFWFLSA-N -1 0 335.363 3.374 20 30 EGEDRM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001573329908 958513188 /nfs/dbraw/zinc/51/31/88/958513188.db2.gz PSEUJLACUIAFBC-DLTLXFJOSA-N -1 0 326.396 3.192 20 30 EGEDRM C=CCc1ccc(OC(=O)c2cccc(OCC(=O)[O-])c2)c(OC)c1 ZINC001588470691 958530112 /nfs/dbraw/zinc/53/01/12/958530112.db2.gz RWVLMJXWKHJUJT-UHFFFAOYSA-N -1 0 342.347 3.106 20 30 EGEDRM Cc1cccc([C@H](NC(=O)[C@H](C#N)CCc2ccccc2)C(=O)[O-])c1 ZINC001594390225 958704601 /nfs/dbraw/zinc/70/46/01/958704601.db2.gz GWUJHJFYOZORPY-ROUUACIJSA-N -1 0 336.391 3.010 20 30 EGEDRM CC(C)(C)CC[C@@H](NC(=O)CSc1ccc(C#N)cc1)C(=O)[O-] ZINC001573394236 958709654 /nfs/dbraw/zinc/70/96/54/958709654.db2.gz BSTBBSATFVUXKW-CQSZACIVSA-N -1 0 334.441 3.046 20 30 EGEDRM C[C@H](C(=O)[O-])N(C(=O)Nc1ccccc1SC[C@@H](C)C#N)C1CC1 ZINC001588543425 958978650 /nfs/dbraw/zinc/97/86/50/958978650.db2.gz LQCIGKPXRXJHRK-NWDGAFQWSA-N -1 0 347.440 3.408 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NCCCc1c(Cl)cccc1Cl ZINC001588556441 959056597 /nfs/dbraw/zinc/05/65/97/959056597.db2.gz DDIRPDAWCUANSW-OAHLLOKOSA-N -1 0 343.210 3.047 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NCc1ccc(-c2ccccc2)s1 ZINC001588558387 959086305 /nfs/dbraw/zinc/08/63/05/959086305.db2.gz ROUNTPORKRTPCH-QGZVFWFLSA-N -1 0 328.393 3.036 20 30 EGEDRM Cc1csc(NC(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)c1C#N ZINC001594440836 959262390 /nfs/dbraw/zinc/26/23/90/959262390.db2.gz RCIFOVIGVOGRRD-KRWDZBQOSA-N -1 0 343.408 3.092 20 30 EGEDRM Cc1c2cc(C#N)ccc2sc1C(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC001594256903 959658591 /nfs/dbraw/zinc/65/85/91/959658591.db2.gz XYMVOLWEGFCGFE-ZDUSSCGKSA-N -1 0 330.409 3.311 20 30 EGEDRM C[C@H]1CCc2sc(NC(=O)[C@@H]3CC[C@H]3C(=O)[O-])c(C#N)c2[C@H]1C ZINC001573739629 960481502 /nfs/dbraw/zinc/48/15/02/960481502.db2.gz WBIHRCPLTFKRRG-UKKRHICBSA-N -1 0 332.425 3.355 20 30 EGEDRM C[C@H]1c2c(C#N)c(NC(=O)[C@@H]3CC[C@H]3C(=O)[O-])sc2CC[C@@H]1C ZINC001573739627 960481523 /nfs/dbraw/zinc/48/15/23/960481523.db2.gz WBIHRCPLTFKRRG-LNFKQOIKSA-N -1 0 332.425 3.355 20 30 EGEDRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)Nc1sc2c(c1C#N)C[C@H](C)C[C@@H]2C ZINC001573745804 960490818 /nfs/dbraw/zinc/49/08/18/960490818.db2.gz GSLCIWNTGLKURJ-IQQDFAPNSA-N -1 0 332.425 3.355 20 30 EGEDRM C[C@H]1CN(c2cc(C(F)(F)F)c(F)cc2C#N)CC[C@@H]1C(=O)[O-] ZINC001573745833 960491140 /nfs/dbraw/zinc/49/11/40/960491140.db2.gz HCVYBOYDXKDFKR-WPRPVWTQSA-N -1 0 330.281 3.263 20 30 EGEDRM C=C(C)CCC(=O)N[C@@H](C(=O)[O-])c1ccccc1Br ZINC001263631214 960884070 /nfs/dbraw/zinc/88/40/70/960884070.db2.gz KQBQPCXOQYZJHA-CYBMUJFWSA-N -1 0 326.190 3.047 20 30 EGEDRM CC(C)(C)c1ccc([C@@H](C#N)NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)cc1 ZINC001588739557 961155023 /nfs/dbraw/zinc/15/50/23/961155023.db2.gz IQOIUZNYUMVEPU-CABCVRRESA-N -1 0 330.428 3.412 20 30 EGEDRM N#Cc1cc(NC(=O)NC2CCC(C(=O)[O-])CC2)ccc1C1CC1 ZINC001574485955 961680206 /nfs/dbraw/zinc/68/02/06/961680206.db2.gz NXESVQDLSNVTNI-UHFFFAOYSA-N -1 0 327.384 3.201 20 30 EGEDRM N#Cc1ccc(C2CCN(C(=O)NCCCCCC(=O)[O-])CC2)cc1 ZINC001341366863 962134850 /nfs/dbraw/zinc/13/48/50/962134850.db2.gz CNVCRWQAKSGKKL-UHFFFAOYSA-N -1 0 343.427 3.092 20 30 EGEDRM C#CC[C@@H](NC(=O)c1ccc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)[O-] ZINC001573302990 962668880 /nfs/dbraw/zinc/66/88/80/962668880.db2.gz IRTBXYMGABPMCX-OAHLLOKOSA-N -1 0 339.391 3.450 20 30 EGEDRM C#CCSCC(=O)Nc1ccc(Cl)cc1SCCC(=O)[O-] ZINC001573311612 962708000 /nfs/dbraw/zinc/70/80/00/962708000.db2.gz CSLAHTLPJHRSCE-UHFFFAOYSA-N -1 0 343.857 3.212 20 30 EGEDRM C#Cc1ccc(NC(=O)c2cccc(OCC(=O)[O-])c2)c(Cl)c1 ZINC001573327418 962809409 /nfs/dbraw/zinc/80/94/09/962809409.db2.gz NVIZDAMJBXWBCM-UHFFFAOYSA-N -1 0 329.739 3.037 20 30 EGEDRM C=CCCCN(CC)S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC001573366587 963059730 /nfs/dbraw/zinc/05/97/30/963059730.db2.gz NEBKQVSQDBQYRM-UHFFFAOYSA-N -1 0 331.821 3.015 20 30 EGEDRM C=CCCC[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])o1)c1ccccc1 ZINC001573367438 963065759 /nfs/dbraw/zinc/06/57/59/963065759.db2.gz VVXXVDOYGFTTGC-CQSZACIVSA-N -1 0 349.408 3.354 20 30 EGEDRM C=C[C@@H]1OCC[C@H]1C(=O)Nc1nc(-c2ccc(C(=O)[O-])cc2)cs1 ZINC001573379379 963106469 /nfs/dbraw/zinc/10/64/69/963106469.db2.gz FKESBJXVYQQLDX-OCCSQVGLSA-N -1 0 344.392 3.038 20 30 EGEDRM C=CCCCNC(=O)Nc1cc(C(=O)[O-])ccc1Br ZINC000306064651 967919778 /nfs/dbraw/zinc/91/97/78/967919778.db2.gz XSJPAUHQWTXNIR-UHFFFAOYSA-N -1 0 327.178 3.235 20 30 EGEDRM C=CC[C@@H]1CCCN(C(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)C1 ZINC001353155943 969779325 /nfs/dbraw/zinc/77/93/25/969779325.db2.gz NWPMCEWALLNKLB-KBRIMQKVSA-N -1 0 328.412 3.297 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1CC[C@@H](C(F)(F)F)c2ccccc21 ZINC001609691639 970450422 /nfs/dbraw/zinc/45/04/22/970450422.db2.gz ZFZWAGAUSKUSDU-IAQYHMDHSA-N -1 0 340.301 3.074 20 30 EGEDRM CC(C)(C#N)CC(=O)Nc1cc(C(=O)[O-])ccc1Br ZINC001609744045 970508792 /nfs/dbraw/zinc/50/87/92/970508792.db2.gz MKEGMFWGVIWWSK-UHFFFAOYSA-N -1 0 325.162 3.026 20 30 EGEDRM Cc1c(C)n(-c2ccccc2)c(NC(=O)[C@H]2CC[C@H]2C(=O)[O-])c1C#N ZINC001605074672 972703149 /nfs/dbraw/zinc/70/31/49/972703149.db2.gz WNCKISKCEYMUKL-LSDHHAIUSA-N -1 0 337.379 3.015 20 30 EGEDRM Cc1cc(N2CC[C@@H](C)[C@H](C(=O)[O-])C2)n2c3ccccc3nc2c1C#N ZINC001605186958 972903171 /nfs/dbraw/zinc/90/31/71/972903171.db2.gz KMUDKNXDGWGEKU-IUODEOHRSA-N -1 0 348.406 3.215 20 30 EGEDRM Cc1cccc([C@H](NC(=O)C[C@H](CC#N)c2ccccc2)C(=O)[O-])c1 ZINC001605328688 973186375 /nfs/dbraw/zinc/18/63/75/973186375.db2.gz PQZLWXWRYWZXTF-LPHOPBHVSA-N -1 0 336.391 3.325 20 30 EGEDRM N#CCCCn1cc(C(=O)NC2(CC(=O)[O-])CCC2)c2ccccc21 ZINC001605581705 973860912 /nfs/dbraw/zinc/86/09/12/973860912.db2.gz ILHWNOBKUCLPCG-UHFFFAOYSA-N -1 0 339.395 3.072 20 30 EGEDRM N#Cc1c(NC(=O)[C@H]2CC[C@H]2C(=O)[O-])sc2c1CCCCCC2 ZINC001605590833 973886293 /nfs/dbraw/zinc/88/62/93/973886293.db2.gz NWRJYDRLMGOEBJ-NWDGAFQWSA-N -1 0 332.425 3.328 20 30 EGEDRM N#Cc1ccc(NC2CC2)c(NC(=O)/C=C\c2ccc(C(=O)[O-])o2)c1 ZINC001605612408 973926889 /nfs/dbraw/zinc/92/68/89/973926889.db2.gz KRUBOAQBHDFCEZ-YVMONPNESA-N -1 0 337.335 3.076 20 30 EGEDRM Cc1nn(C)c(C)c1C(=NNc1cccc(C(=O)[O-])c1)C(F)(F)F ZINC000606443923 975016016 /nfs/dbraw/zinc/01/60/16/975016016.db2.gz DJESDYWMSDBSIX-UHFFFAOYSA-N -1 0 340.305 3.114 20 30 EGEDRM CC(C)c1ncsc1C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001592042417 976768670 /nfs/dbraw/zinc/76/86/70/976768670.db2.gz JXVQJQIYMFSNIG-ZDUSSCGKSA-N -1 0 330.365 3.121 20 30 EGEDRM O=C([O-])c1ccc(N=NCc2ccc(Br)s2)nc1 ZINC000763368892 978721325 /nfs/dbraw/zinc/72/13/25/978721325.db2.gz PUFKRZGNDJIAAU-UHFFFAOYSA-N -1 0 326.175 3.050 20 30 EGEDRM Cn1cc(C=NNc2cccc(C(=O)[O-])c2)c(-c2cccs2)n1 ZINC000769567111 978742436 /nfs/dbraw/zinc/74/24/36/978742436.db2.gz NKNKTLOYBDRLIJ-UHFFFAOYSA-N -1 0 326.381 3.293 20 30 EGEDRM CCOC(=O)Cc1ccc(C(=O)/C=C\c2cccc(C(=O)[O-])c2)cc1 ZINC000774119429 978745827 /nfs/dbraw/zinc/74/58/27/978745827.db2.gz NLUMXNFEBONEAT-FLIBITNWSA-N -1 0 338.359 3.387 20 30 EGEDRM COc1ccc([C@@H](C)C(C)N=Nc2ccc(C(=O)[O-])cn2)cc1OC ZINC000794526683 978813148 /nfs/dbraw/zinc/81/31/48/978813148.db2.gz UKIHLIGNVFODEL-NSHDSACASA-N -1 0 343.383 3.389 20 30 EGEDRM C[C@H](Oc1ccc(/C=C2/CCc3cc(C#N)cnc3C2=O)cc1)C(=O)[O-] ZINC000794711209 978817652 /nfs/dbraw/zinc/81/76/52/978817652.db2.gz BAZBNRCQCZXBBK-LUMBYOQCSA-N -1 0 348.358 3.018 20 30 EGEDRM CCc1cccc(C)c1NC(=S)NN=C1CCC(C(=O)[O-])CC1 ZINC000814786111 978885176 /nfs/dbraw/zinc/88/51/76/978885176.db2.gz VGLFTIWTLUJBLP-UHFFFAOYSA-N -1 0 333.457 3.475 20 30 EGEDRM C#C[C@@H](NC(=O)NCC(CC)(CC)C(=O)[O-])c1ccc(Cl)cc1 ZINC000818627055 978921401 /nfs/dbraw/zinc/92/14/01/978921401.db2.gz FEGJTCCYMJVKBL-CQSZACIVSA-N -1 0 336.819 3.205 20 30 EGEDRM Cc1cc(Br)cnc1N=NC1CC[C@H](CC(=O)[O-])[C@H]1C ZINC000819828716 978925027 /nfs/dbraw/zinc/92/50/27/978925027.db2.gz NNVHECNUEJVIEB-NXEZZACHSA-N -1 0 340.221 3.441 20 30 EGEDRM CCN(C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)[C@@H](C)c1ccc(C#N)cc1 ZINC000829591880 979003502 /nfs/dbraw/zinc/00/35/02/979003502.db2.gz ZWICHTBTUJDEHL-IAOVAPTHSA-N -1 0 328.412 3.359 20 30 EGEDRM CC[C@@H](C)n1nc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1C ZINC001595021565 979097827 /nfs/dbraw/zinc/09/78/27/979097827.db2.gz AUXRSYYRRPLHIV-BDJLRTHQSA-N -1 0 341.367 3.017 20 30 EGEDRM O=C([O-])c1ccc(NN=Cc2cnc([C@H]3CCCO3)s2)c(F)c1 ZINC000835011569 979245484 /nfs/dbraw/zinc/24/54/84/979245484.db2.gz HIBSYWZXXAHOMY-CYBMUJFWSA-N -1 0 335.360 3.278 20 30 EGEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC001592833340 979570891 /nfs/dbraw/zinc/57/08/91/979570891.db2.gz GBGXAUDJZBCECY-DOMZBBRYSA-N -1 0 342.420 3.131 20 30 EGEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)OCc1ccsc1C(=O)[O-] ZINC001592834370 979575556 /nfs/dbraw/zinc/57/55/56/979575556.db2.gz PRRMYIFUXLTCBK-NSHDSACASA-N -1 0 329.377 3.240 20 30 EGEDRM CC[C@](CNC(=O)c1cccc(C#N)c1C)(C(=O)[O-])c1ccccc1 ZINC001595163935 979704114 /nfs/dbraw/zinc/70/41/14/979704114.db2.gz CMBFLZNNEGIFSC-HXUWFJFHSA-N -1 0 336.391 3.029 20 30 EGEDRM C[C@H](NC(=O)/C=C\c1ccccc1C#N)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593011049 980245335 /nfs/dbraw/zinc/24/53/35/980245335.db2.gz LYROHJSVAOAZNK-CRZWQAPHSA-N -1 0 348.402 3.020 20 30 EGEDRM C=CC1(CC(=O)NC[C@@H](Oc2ccccc2)C(=O)[O-])CCCCC1 ZINC000907757058 981215423 /nfs/dbraw/zinc/21/54/23/981215423.db2.gz VKEXZGUXUCZQCN-MRXNPFEDSA-N -1 0 331.412 3.161 20 30 EGEDRM C=CC1(CC(=O)N[C@H]2CCOC3(CC(C(=O)[O-])C3)C2)CCCCC1 ZINC000907763849 981216147 /nfs/dbraw/zinc/21/61/47/981216147.db2.gz SBCQWRCAMFTUFF-HVEKOLDVSA-N -1 0 335.444 3.042 20 30 EGEDRM CCCC[C@H](ON=C(C)C)C(=O)N[C@@H](C(=O)[O-])C1CCCCC1 ZINC001595651803 982026736 /nfs/dbraw/zinc/02/67/36/982026736.db2.gz KPPFXFLBOCBBAJ-LSDHHAIUSA-N -1 0 326.437 3.107 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1c(C)onc1-c1cccc(F)c1)C(=O)[O-] ZINC000910924112 982166149 /nfs/dbraw/zinc/16/61/49/982166149.db2.gz CEMQVVXAKMIRNY-AWEZNQCLSA-N -1 0 346.358 3.328 20 30 EGEDRM CCOc1ccc(NC(=S)NN=Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000915926766 982670314 /nfs/dbraw/zinc/67/03/14/982670314.db2.gz QAUUJBPSGHBBQI-UHFFFAOYSA-N -1 0 343.408 3.104 20 30 EGEDRM N#Cc1ccc(-n2ccc(NCc3c[nH]c(C(=O)[O-])c3)n2)c(Cl)c1 ZINC001574790889 983276359 /nfs/dbraw/zinc/27/63/59/983276359.db2.gz POTAFIUMTBSSLR-UHFFFAOYSA-N -1 0 341.758 3.036 20 30 EGEDRM C#C[C@@H](NC(=O)N1CCC(CCC(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC001588372485 983331225 /nfs/dbraw/zinc/33/12/25/983331225.db2.gz LSXSHCSQLMSPPL-MRXNPFEDSA-N -1 0 348.830 3.301 20 30 EGEDRM C#CCC(C)(C)C(=O)NC[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC001588383610 983382898 /nfs/dbraw/zinc/38/28/98/983382898.db2.gz FUOYYFLSSUJOOX-GOSISDBHSA-N -1 0 337.419 3.249 20 30 EGEDRM C#CCOc1cccc(Oc2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])c1 ZINC001588504237 983546979 /nfs/dbraw/zinc/54/69/79/983546979.db2.gz NWOLEYJQLDDJMC-UHFFFAOYSA-N -1 0 327.292 3.406 20 30 EGEDRM C#Cc1ccc(C(=O)Nc2cc(C(=O)[O-])cc(Cl)c2Cl)cn1 ZINC001588516604 983561465 /nfs/dbraw/zinc/56/14/65/983561465.db2.gz RTRLMCHYZXOICD-UHFFFAOYSA-N -1 0 335.146 3.320 20 30 EGEDRM C#Cc1cccc(N(Cc2ccco2)C(=O)C[C@H](C)CC(=O)[O-])c1 ZINC001588523637 983572844 /nfs/dbraw/zinc/57/28/44/983572844.db2.gz PWBSCHJQZMEVRP-AWEZNQCLSA-N -1 0 325.364 3.295 20 30 EGEDRM CCN(C)c1ccc(C=[NH+][N-]c2ccc(C(=O)[O-])c(Cl)c2)cn1 ZINC001596194945 983578326 /nfs/dbraw/zinc/57/83/26/983578326.db2.gz ZOELUVUYQWVSGK-UHFFFAOYSA-N -1 0 332.791 3.335 20 30 EGEDRM C#Cc1ccccc1CC(=O)Nc1nc(C(C)C)c(C(=O)[O-])s1 ZINC001588529098 983579726 /nfs/dbraw/zinc/57/97/26/983579726.db2.gz QHHZYICFKGTBGN-UHFFFAOYSA-N -1 0 328.393 3.127 20 30 EGEDRM C=C(C)C[C@H](NC(=O)[C@@H](C)Oc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC001588537491 983600451 /nfs/dbraw/zinc/60/04/51/983600451.db2.gz QLNYZFVXZNMUJC-RNCFNFMXSA-N -1 0 346.210 3.296 20 30 EGEDRM C=C(C)C[C@H](NC(=O)c1cc(Cl)ccc1OC(C)C)C(=O)[O-] ZINC001588542906 983610009 /nfs/dbraw/zinc/61/00/09/983610009.db2.gz ANORGXKRLZKVGA-ZDUSSCGKSA-N -1 0 325.792 3.276 20 30 EGEDRM C=C(C)C[C@H](NC(=O)[C@H](C)Oc1ccc2ccccc2c1)C(=O)[O-] ZINC001588543548 983612034 /nfs/dbraw/zinc/61/20/34/983612034.db2.gz KGRFVQBNNOTBOQ-GUYCJALGSA-N -1 0 327.380 3.143 20 30 EGEDRM C=C(C)C[C@@H](Nc1ccc(Br)cc1[N+](=O)[O-])C(=O)[O-] ZINC001588554933 983632733 /nfs/dbraw/zinc/63/27/33/983632733.db2.gz UXYANJYXFBGEJK-SNVBAGLBSA-N -1 0 329.150 3.189 20 30 EGEDRM C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1cc(C)c(C(=O)[O-])[nH]1 ZINC001588567648 983647566 /nfs/dbraw/zinc/64/75/66/983647566.db2.gz POKIUFJXZGTVLA-UHFFFAOYSA-N -1 0 330.432 3.377 20 30 EGEDRM C=C(C)Cn1c([C@H](C)C2CCC2)nnc1N1CC[C@](C)(C(=O)[O-])C1 ZINC001588589991 983668760 /nfs/dbraw/zinc/66/87/60/983668760.db2.gz VSGXXTKSTXDWSF-ACJLOTCBSA-N -1 0 332.448 3.059 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H](C)c1cc2cccc(OCC)c2o1 ZINC001588619287 983715886 /nfs/dbraw/zinc/71/58/86/983715886.db2.gz PVZDZUYRDXYDNC-LBPRGKRZSA-N -1 0 331.368 3.430 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Oc1ccc(NC(=O)c2ccccc2)cc1 ZINC001588633539 983750007 /nfs/dbraw/zinc/75/00/07/983750007.db2.gz NWNUPDNVIGSLQP-UHFFFAOYSA-N -1 0 339.347 3.265 20 30 EGEDRM C=C(CNC(=O)N1CCc2ccc(C(=O)[O-])cc2C1)c1ccccc1 ZINC001588636754 983756886 /nfs/dbraw/zinc/75/68/86/983756886.db2.gz SVJHZIOQHRDALF-UHFFFAOYSA-N -1 0 336.391 3.166 20 30 EGEDRM C=C(Cl)CN(C)[C@@H](C(=O)[O-])c1cc(OC)ccc1Br ZINC001588642501 983764755 /nfs/dbraw/zinc/76/47/55/983764755.db2.gz VDPVTIUGINKWEK-GFCCVEGCSA-N -1 0 348.624 3.268 20 30 EGEDRM C=C[C@@H](C(=O)N[C@@H](C(=O)[O-])c1ccc(F)c(C)c1)c1ccccc1 ZINC001588663044 983793199 /nfs/dbraw/zinc/79/31/99/983793199.db2.gz BRECZVMULPIGBX-NVXWUHKLSA-N -1 0 327.355 3.346 20 30 EGEDRM C=C[C@H](C(=O)NC[C@H](Cc1cccc(F)c1)C(=O)[O-])c1ccccc1 ZINC001588664268 983799457 /nfs/dbraw/zinc/79/94/57/983799457.db2.gz PDTFXJFXXFYHFY-WMZOPIPTSA-N -1 0 341.382 3.155 20 30 EGEDRM C=CC(C)(C)CCCNC(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC001588672912 983827673 /nfs/dbraw/zinc/82/76/73/983827673.db2.gz DOCSZSSTXMKVAP-UHFFFAOYSA-N -1 0 328.412 3.448 20 30 EGEDRM C=C[C@@](C)(CC)C(=O)OCC(=O)c1c[nH]c2ccc(C(=O)[O-])cc21 ZINC001588682670 983844931 /nfs/dbraw/zinc/84/49/31/983844931.db2.gz PJEIXGLOJZNNIU-SFHVURJKSA-N -1 0 329.352 3.194 20 30 EGEDRM C=C[C@@H](Nc1ccc([C@@H]2C[C@H]2NC(=O)OC(C)(C)C)cc1)C(=O)[O-] ZINC001588701998 983917688 /nfs/dbraw/zinc/91/76/88/983917688.db2.gz FROMCBQMYQZOJU-RRFJBIMHSA-N -1 0 332.400 3.118 20 30 EGEDRM C=C[C@@H]1CCCCN1S(=O)(=O)c1sc(C(=O)[O-])c(Cl)c1C ZINC001588718485 983956805 /nfs/dbraw/zinc/95/68/05/983956805.db2.gz CEMPBYLGALYLRH-SECBINFHSA-N -1 0 349.861 3.137 20 30 EGEDRM C=CCC(C)(C)Cn1c(CC(C)C)nnc1N1CCC[C@H](C(=O)[O-])C1 ZINC001588736616 984026137 /nfs/dbraw/zinc/02/61/37/984026137.db2.gz PPSMAIZBAFSQKW-HNNXBMFYSA-N -1 0 348.491 3.380 20 30 EGEDRM C=CC[C@@H](Nc1cccc2c1CCN2C(=O)OC(C)(C)C)C(=O)[O-] ZINC001588750195 984070428 /nfs/dbraw/zinc/07/04/28/984070428.db2.gz CRACHTFJZDGMEI-CQSZACIVSA-N -1 0 332.400 3.425 20 30 EGEDRM C=CC[C@H](OC(=O)Cc1c2ccc(C)cc2oc1C(C)=O)C(=O)[O-] ZINC001588753707 984088125 /nfs/dbraw/zinc/08/81/25/984088125.db2.gz MBLZWWCEDLINBC-AWEZNQCLSA-N -1 0 330.336 3.059 20 30 EGEDRM C=CCC1(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)CCCC1 ZINC001588769514 984133861 /nfs/dbraw/zinc/13/38/61/984133861.db2.gz WDLFVFJPQNRXMY-UHFFFAOYSA-N -1 0 343.832 3.205 20 30 EGEDRM C=CCCC(C)(C)CNC(=O)N1CCc2c(cccc2C(=O)[O-])C1 ZINC001588776723 984152983 /nfs/dbraw/zinc/15/29/83/984152983.db2.gz CSFMFIKRNMNJEU-UHFFFAOYSA-N -1 0 330.428 3.445 20 30 EGEDRM C=CCC[C@H](C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1)c1ccccc1 ZINC001588777006 984155100 /nfs/dbraw/zinc/15/51/00/984155100.db2.gz QLRJZTWGWASQBC-IRXDYDNUSA-N -1 0 327.424 3.450 20 30 EGEDRM C=CCC[C@@H](C(=O)N1CCSC[C@H](C(=O)[O-])C1)c1ccccc1 ZINC001588777252 984155888 /nfs/dbraw/zinc/15/58/88/984155888.db2.gz YFCJIHAMBRIIEI-HZPDHXFCSA-N -1 0 333.453 3.013 20 30 EGEDRM C=CCCC1(CNC(=O)NCc2cc(C(=O)[O-])c(C)n2C)CCCC1 ZINC001588782101 984169689 /nfs/dbraw/zinc/16/96/89/984169689.db2.gz OVYSPWKHIPNZJI-UHFFFAOYSA-N -1 0 347.459 3.358 20 30 EGEDRM C=CCC[C@H]1CCCN1C(=O)Nc1ccc(C(=O)OC)c(C(=O)[O-])c1 ZINC001588782180 984171164 /nfs/dbraw/zinc/17/11/64/984171164.db2.gz RPENQIJISIMJBL-ZDUSSCGKSA-N -1 0 346.383 3.134 20 30 EGEDRM C=CCCCC(=O)N[C@@H](C(=O)[O-])c1ccccc1Br ZINC001588782572 984173335 /nfs/dbraw/zinc/17/33/35/984173335.db2.gz WJYADPPAGVSKJC-CYBMUJFWSA-N -1 0 326.190 3.047 20 30 EGEDRM C=CCCC[C@@H](NC(=O)C(F)(F)c1ccc(Cl)cc1)C(=O)[O-] ZINC001588784926 984178547 /nfs/dbraw/zinc/17/85/47/984178547.db2.gz DHSSAZWJGFBMAT-GFCCVEGCSA-N -1 0 331.746 3.358 20 30 EGEDRM C=CCCC[C@@H](NC(=O)CCC(=O)c1ccc2c(c1)CCC2)C(=O)[O-] ZINC001588788406 984189647 /nfs/dbraw/zinc/18/96/47/984189647.db2.gz BEHFUPRLRPQPQY-QGZVFWFLSA-N -1 0 343.423 3.064 20 30 EGEDRM C=CCCC[C@@H](NC(=O)Cc1ccccc1C(F)(F)F)C(=O)[O-] ZINC001588789057 984196054 /nfs/dbraw/zinc/19/60/54/984196054.db2.gz WNSSQVTWXDVKFZ-CYBMUJFWSA-N -1 0 329.318 3.174 20 30 EGEDRM C=CCCC[C@@H](NC(=O)/C=C(\CC)c1ccc(OC)cc1)C(=O)[O-] ZINC001588790249 984205322 /nfs/dbraw/zinc/20/53/22/984205322.db2.gz UESMNFWIOZTEOT-TUQDCPSNSA-N -1 0 331.412 3.414 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1cc(Br)ccc1C)C(=O)[O-] ZINC001588792616 984211191 /nfs/dbraw/zinc/21/11/91/984211191.db2.gz KNTWSJGFFSTTGI-CYBMUJFWSA-N -1 0 340.217 3.297 20 30 EGEDRM C=CCCCCCNC(=O)N1CCC(c2cc(C(=O)[O-])on2)CC1 ZINC001588799739 984241603 /nfs/dbraw/zinc/24/16/03/984241603.db2.gz DMDPTZJZSLUZRL-UHFFFAOYSA-N -1 0 335.404 3.008 20 30 EGEDRM C=CCCCN(CC)S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001588801314 984244995 /nfs/dbraw/zinc/24/49/95/984244995.db2.gz IFOWFZBUHPEWOO-UHFFFAOYSA-N -1 0 349.811 3.154 20 30 EGEDRM C=CCCCCS(=O)(=O)Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001588802646 984250270 /nfs/dbraw/zinc/25/02/70/984250270.db2.gz RRFXDCZNTCQOQM-UHFFFAOYSA-N -1 0 349.408 3.311 20 30 EGEDRM C=CCCc1ccccc1NCC(=O)NC1(C(=O)[O-])CCCCC1 ZINC001588817553 984276447 /nfs/dbraw/zinc/27/64/47/984276447.db2.gz LTOCMFPFOQRLJE-UHFFFAOYSA-N -1 0 330.428 3.121 20 30 EGEDRM C=CCN(CC1CCCCC1)S(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC001588825786 984302016 /nfs/dbraw/zinc/30/20/16/984302016.db2.gz XYZHRVUDYNFSMW-HZPDHXFCSA-N -1 0 343.489 3.028 20 30 EGEDRM C=CCNC(=O)c1ccc(NCc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC001588845330 984362273 /nfs/dbraw/zinc/36/22/73/984362273.db2.gz GZLCFGZZAUDCPC-UHFFFAOYSA-N -1 0 328.343 3.052 20 30 EGEDRM C=CC[S@](=O)(=NC(=O)c1cc(F)cc(C(=O)[O-])c1)c1ccccc1 ZINC001588878904 984456258 /nfs/dbraw/zinc/45/62/58/984456258.db2.gz NNFVZZKSUGZRLG-XMMPIXPASA-N -1 0 347.367 3.377 20 30 EGEDRM C=CCc1cccc(C(C)C)c1NC(=O)c1cc(C(=O)[O-])nn1C ZINC001588886144 984471231 /nfs/dbraw/zinc/47/12/31/984471231.db2.gz AUDQVPXLPSFEPJ-UHFFFAOYSA-N -1 0 327.384 3.223 20 30 EGEDRM CCOC(=O)c1ccc(NN=Cc2cccn2[C@H](C)C(=O)[O-])cc1C ZINC001596724829 984979798 /nfs/dbraw/zinc/97/97/98/984979798.db2.gz YJODKCHGGPYWBE-CYBMUJFWSA-N -1 0 343.383 3.065 20 30 EGEDRM CC(C)Oc1ccc(NC(=O)N(C[C@H](C)C#N)C2CC2)c(C(=O)[O-])c1 ZINC001589329854 986168072 /nfs/dbraw/zinc/16/80/72/986168072.db2.gz USEBLAQDHGKKNH-GFCCVEGCSA-N -1 0 345.399 3.328 20 30 EGEDRM CC(C)(C(=O)[O-])[C@@H]1CCCN(c2cccc(-n3cccn3)c2C#N)C1 ZINC001589617341 987492545 /nfs/dbraw/zinc/49/25/45/987492545.db2.gz SZJDXKPAOOWODP-CQSZACIVSA-N -1 0 338.411 3.071 20 30 EGEDRM CCc1[nH]c(C(=O)Nc2ccc(Cl)c(C#N)c2)c(C)c1C(=O)[O-] ZINC001597373606 987558563 /nfs/dbraw/zinc/55/85/63/987558563.db2.gz UWDPMPUHMZUYAO-UHFFFAOYSA-N -1 0 331.759 3.361 20 30 EGEDRM CC(C)(C(=O)[O-])n1cc(Nc2c(Br)cccc2C#N)cn1 ZINC001589670781 987664884 /nfs/dbraw/zinc/66/48/84/987664884.db2.gz DBZNOJQLHRJZRO-UHFFFAOYSA-N -1 0 349.188 3.081 20 30 EGEDRM CC(C)(C(=O)OCc1ccoc1C(=O)[O-])c1cc(F)cc(C#N)c1 ZINC001589681209 987710408 /nfs/dbraw/zinc/71/04/08/987710408.db2.gz MHCVAQFJNVNNPG-UHFFFAOYSA-N -1 0 331.299 3.010 20 30 EGEDRM CCc1cc(C#N)ccc1OCC(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC001597424287 987747953 /nfs/dbraw/zinc/74/79/53/987747953.db2.gz QJCCSXJHBKNDNP-UHFFFAOYSA-N -1 0 326.352 3.026 20 30 EGEDRM CCc1cc(C(=O)N(CC#N)CCC(=O)[O-])sc1-c1ccccc1 ZINC001597426456 987751228 /nfs/dbraw/zinc/75/12/28/987751228.db2.gz IMOIPWBQKNWFRH-UHFFFAOYSA-N -1 0 342.420 3.418 20 30 EGEDRM CC(C)(C)[C@@H]1CCC[C@@H](NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)CC1 ZINC001589728388 987931806 /nfs/dbraw/zinc/93/18/06/987931806.db2.gz KEPVPQAGVVUDRM-HUUCEWRRSA-N -1 0 349.475 3.381 20 30 EGEDRM CC(C)(C)[C@@H]1CCC[C@H](NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)CC1 ZINC001589728386 987931869 /nfs/dbraw/zinc/93/18/69/987931869.db2.gz KEPVPQAGVVUDRM-CABCVRRESA-N -1 0 349.475 3.381 20 30 EGEDRM CCc1ccc([C@H](C#N)N(C)C(=O)c2cc(C(=O)[O-])oc2C)cc1 ZINC001597509036 988089725 /nfs/dbraw/zinc/08/97/25/988089725.db2.gz VYRCYJGWHAGPQX-HNNXBMFYSA-N -1 0 326.352 3.186 20 30 EGEDRM CCc1ccc(NC(=O)Cc2ccc(OCC#N)cc2)c(C(=O)[O-])c1 ZINC001597544221 988241162 /nfs/dbraw/zinc/24/11/62/988241162.db2.gz BQXMWCCJOGASMU-UHFFFAOYSA-N -1 0 338.363 3.031 20 30 EGEDRM CC(C)(C)OC1CC(CC(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC001590374023 989864282 /nfs/dbraw/zinc/86/42/82/989864282.db2.gz BPNKVZHMCNGQHE-PGEKIEPBSA-N -1 0 345.395 3.211 20 30 EGEDRM CN(C(=O)[C@H](C#N)CCc1ccccc1)[C@@H](C(=O)[O-])c1ccccc1 ZINC001597989673 990075617 /nfs/dbraw/zinc/07/56/17/990075617.db2.gz CXKWRRSDOQEYJR-ZWKOTPCHSA-N -1 0 336.391 3.043 20 30 EGEDRM CC(C)(C)c1ncc(/C=C2\CCn3nc(C(=O)[O-])cc3C2=O)s1 ZINC001590550851 990190283 /nfs/dbraw/zinc/19/02/83/990190283.db2.gz MNDXTARIBLRHHJ-RMKNXTFCSA-N -1 0 331.397 3.005 20 30 EGEDRM CN(C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598060254 990328188 /nfs/dbraw/zinc/32/81/88/990328188.db2.gz KWCICJGTKIJHSO-VDISTLRHSA-N -1 0 345.399 3.062 20 30 EGEDRM CC(C)(CC(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1)C(F)(F)F ZINC001590648859 990335477 /nfs/dbraw/zinc/33/54/77/990335477.db2.gz KRELBRZJRKFPNC-GFCCVEGCSA-N -1 0 329.274 3.206 20 30 EGEDRM CN(C(=O)c1cccc(SCC#N)c1)[C@@H](C(=O)[O-])c1ccccc1 ZINC001598091350 990434014 /nfs/dbraw/zinc/43/40/14/990434014.db2.gz HPRCVCKFSDFEBV-MRXNPFEDSA-N -1 0 340.404 3.200 20 30 EGEDRM CC(C)CCN(CCC#N)CC(=O)c1c[nH]c2ccc(C(=O)[O-])cc12 ZINC001591245185 992133153 /nfs/dbraw/zinc/13/31/53/992133153.db2.gz CPFPCKDBQUPJON-UHFFFAOYSA-N -1 0 341.411 3.311 20 30 EGEDRM CN(Cc1cc(C#N)cs1)c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC001598506596 992510945 /nfs/dbraw/zinc/51/09/45/992510945.db2.gz DNLHGTTWZYNNHF-HWKANZROSA-N -1 0 343.364 3.262 20 30 EGEDRM C[C@H](NC(=S)NN=C1CCC[C@@H](CCCC(=O)[O-])C1)C1CC1 ZINC001593190636 994124289 /nfs/dbraw/zinc/12/42/89/994124289.db2.gz TWCYIDSTSUNDGK-RYUDHWBXSA-N -1 0 325.478 3.050 20 30 EGEDRM COc1ccc2nc(NN=Cc3ccc(C(=O)[O-])n3C)c(C)cc2c1 ZINC001599635265 994278533 /nfs/dbraw/zinc/27/85/33/994278533.db2.gz RGWGXSQBHMDEBL-UHFFFAOYSA-N -1 0 338.367 3.035 20 30 EGEDRM COc1cccc([C@@H](C(=O)[O-])N(C)Cc2ccc(Cl)cc2C#N)c1 ZINC001599651279 994505225 /nfs/dbraw/zinc/50/52/25/994505225.db2.gz VQQHNUVJRZNVSK-KRWDZBQOSA-N -1 0 344.798 3.478 20 30 EGEDRM C[C@@H](Oc1ccccc1/C=C\C(=O)c1cnn(C2CCC2)c1)C(=O)[O-] ZINC001593645261 995972818 /nfs/dbraw/zinc/97/28/18/995972818.db2.gz RJLLXBFCWIOYAJ-ASCRHOAZSA-N -1 0 340.379 3.356 20 30 EGEDRM COc1ccc(C(=O)[O-])c(NC(=O)c2ccc(Cl)c(C#N)c2)c1F ZINC001599490635 996932052 /nfs/dbraw/zinc/93/20/52/996932052.db2.gz UZPFMXWOZHWQGC-UHFFFAOYSA-N -1 0 348.717 3.310 20 30 EGEDRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)c1cc(C#N)ccc1C ZINC001599396461 997135019 /nfs/dbraw/zinc/13/50/19/997135019.db2.gz OININCZSOXCOFD-VURMDHGXSA-N -1 0 337.331 3.192 20 30 EGEDRM COc1ccc(C)cc1/C=C\C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001599533715 997704962 /nfs/dbraw/zinc/70/49/62/997704962.db2.gz ACJOONBVRJIGCY-TWGQIWQCSA-N -1 0 326.348 3.363 20 30 EGEDRM COc1ccc(/C=C/C(=O)[O-])cc1OC(=O)/C=C/c1ccccc1C#N ZINC001599544877 997906826 /nfs/dbraw/zinc/90/68/26/997906826.db2.gz VFVNXOGUXKAPFN-AMMQDNIMSA-N -1 0 349.342 3.283 20 30 EGEDRM CC1=C(C(=O)[O-])[C@@H](c2ccc(C(C)(C)C#N)cc2)NC(=O)N1C1CC1 ZINC001594095457 998066738 /nfs/dbraw/zinc/06/67/38/998066738.db2.gz QBADZPIZYGDEFT-MRXNPFEDSA-N -1 0 339.395 3.075 20 30 EGEDRM COc1cc(Oc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])ccc1C#N ZINC001599456003 998189334 /nfs/dbraw/zinc/18/93/34/998189334.db2.gz HTZAUKISNOEWHX-XVNBXDOJSA-N -1 0 340.291 3.365 20 30 EGEDRM COc1ccc(Cl)cc1C(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC001599579515 998504814 /nfs/dbraw/zinc/50/48/14/998504814.db2.gz OYRCLCGXUJVTCB-UHFFFAOYSA-N -1 0 345.738 3.275 20 30 EGEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1sc2ccccc2c1Cl ZINC000103502699 219307980 /nfs/dbraw/zinc/30/79/80/219307980.db2.gz HXSBGWZNTJZULS-NSHDSACASA-N -1 0 332.812 3.500 20 30 EGEDRM CC(C)OCc1ccc(NS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000194034733 153317850 /nfs/dbraw/zinc/31/78/50/153317850.db2.gz ZAGSVUFQQNDEQB-UHFFFAOYSA-N -1 0 330.409 3.284 20 30 EGEDRM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000317275723 154158624 /nfs/dbraw/zinc/15/86/24/154158624.db2.gz OKYPRKLKXKOUOU-UHFFFAOYSA-N -1 0 336.800 3.411 20 30 EGEDRM N#Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000183394575 162826425 /nfs/dbraw/zinc/82/64/25/162826425.db2.gz FHRUAMWFPRNJMH-UHFFFAOYSA-N -1 0 328.727 3.291 20 30 EGEDRM N#Cc1cccnc1[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000435901431 269976096 /nfs/dbraw/zinc/97/60/96/269976096.db2.gz HEMLJCDNINOQEC-UHFFFAOYSA-N -1 0 346.170 3.200 20 30 EGEDRM CCc1nc([N-]S(=O)(=O)c2ccc(C#N)o2)sc1C(C)(C)C ZINC000414469877 270047075 /nfs/dbraw/zinc/04/70/75/270047075.db2.gz KEDFPHNZRDQQJA-UHFFFAOYSA-N -1 0 339.442 3.268 20 30 EGEDRM N#Cc1ccnc(Sc2n[n-]c(=NCc3ccco3)s2)c1Cl ZINC000429192161 270050392 /nfs/dbraw/zinc/05/03/92/270050392.db2.gz ZNJNSODZRJPTCC-UHFFFAOYSA-N -1 0 349.828 3.236 20 30 EGEDRM N#Cc1ncc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1Cl ZINC000451090639 270053254 /nfs/dbraw/zinc/05/32/54/270053254.db2.gz HOHKRNBNAYANRW-UHFFFAOYSA-N -1 0 347.827 3.286 20 30 EGEDRM CCc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2OC)cc1C ZINC000463789496 270055184 /nfs/dbraw/zinc/05/51/84/270055184.db2.gz QIXNZTKMCMMKCJ-UHFFFAOYSA-N -1 0 330.409 3.239 20 30 EGEDRM Cc1cccc(S(=O)(=O)[N-]c2ccc3ncsc3c2)c1C#N ZINC000178598839 265329093 /nfs/dbraw/zinc/32/90/93/265329093.db2.gz OAHBHOFNQPISKV-UHFFFAOYSA-N -1 0 329.406 3.277 20 30 EGEDRM CCCNc1ccc(C#N)cc1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000436766370 267025904 /nfs/dbraw/zinc/02/59/04/267025904.db2.gz DBIZRLCDRIBMJR-UHFFFAOYSA-N -1 0 340.339 3.246 20 30 EGEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(CC)c1 ZINC000433488992 267169894 /nfs/dbraw/zinc/16/98/94/267169894.db2.gz BVLANFVDKPXSIK-UHFFFAOYSA-N -1 0 330.409 3.320 20 30 EGEDRM CCc1cc([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)ccc1F ZINC000507633334 267245866 /nfs/dbraw/zinc/24/58/66/267245866.db2.gz CQXFNDPKYWOQNI-UHFFFAOYSA-N -1 0 340.326 3.339 20 30 EGEDRM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000439247079 267355055 /nfs/dbraw/zinc/35/50/55/267355055.db2.gz MKTOVIDTVNMUMK-UHFFFAOYSA-N -1 0 339.779 3.193 20 30 EGEDRM Cc1cc(CSc2n[n-]c(=NC[C@H]3CCCO3)s2)ccc1C#N ZINC000447299083 268001439 /nfs/dbraw/zinc/00/14/39/268001439.db2.gz NQIDBMVKNIVENR-CQSZACIVSA-N -1 0 346.481 3.023 20 30 EGEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc2c1OC(C)(C)C2 ZINC000530381902 268030973 /nfs/dbraw/zinc/03/09/73/268030973.db2.gz AUIFLMROXCOQMS-UHFFFAOYSA-N -1 0 342.420 3.381 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2cc(C#N)c3ccccc3n2)cc1F ZINC000508120510 268042733 /nfs/dbraw/zinc/04/27/33/268042733.db2.gz URMIXDZOGDKQDD-UHFFFAOYSA-N -1 0 341.367 3.355 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2nc(-c3ccc(O)cc3)cs2)cc1[O-] ZINC000188786743 268048252 /nfs/dbraw/zinc/04/82/52/268048252.db2.gz XEHLUFBRAYDWDT-UHFFFAOYSA-N -1 0 337.360 3.345 20 30 EGEDRM N#Cc1ccc(Cc2cnc([N-]S(=O)(=O)CCC3CC3)s2)cc1 ZINC000273935165 268093078 /nfs/dbraw/zinc/09/30/78/268093078.db2.gz ITUWSEMGCSMQOO-UHFFFAOYSA-N -1 0 347.465 3.147 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2cccc(C#Cc3ccccn3)c2)cc1[O-] ZINC000442830063 268205999 /nfs/dbraw/zinc/20/59/99/268205999.db2.gz XHUBINNRMGQDGZ-UHFFFAOYSA-N -1 0 339.354 3.311 20 30 EGEDRM N#Cc1ccc(C(=O)[O-])nc1/C=C\c1cnc(-c2ccccn2)s1 ZINC000531471841 268207356 /nfs/dbraw/zinc/20/73/56/268207356.db2.gz HGHZSTMPOKEBPF-ALCCZGGFSA-N -1 0 334.360 3.340 20 30 EGEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ncccc1-c1ccccc1 ZINC000092389043 307465253 /nfs/dbraw/zinc/46/52/53/307465253.db2.gz XVFMBTRZLSBVJT-UHFFFAOYSA-N -1 0 349.415 3.151 20 30 EGEDRM CC[C@](C)([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C(F)(F)F ZINC000547821035 314943560 /nfs/dbraw/zinc/94/35/60/314943560.db2.gz QPSCEKKMVYOWBX-NSHDSACASA-N -1 0 340.754 3.221 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc3cc[nH]c32)c(Cl)c1 ZINC000547821977 314943625 /nfs/dbraw/zinc/94/36/25/314943625.db2.gz PRLLYRYERWMZQB-UHFFFAOYSA-N -1 0 331.784 3.494 20 30 EGEDRM Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C\c1cnn(CC(C)C)c1)CC2 ZINC000180726908 455235508 /nfs/dbraw/zinc/23/55/08/455235508.db2.gz VFNPMQCTGNRJQR-MLPAPPSSSA-N -1 0 328.368 3.351 20 30 EGEDRM C=CCOc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccccc2)cc1 ZINC000238165241 455257676 /nfs/dbraw/zinc/25/76/76/455257676.db2.gz KOEOVOASLLMQAM-QGZVFWFLSA-N -1 0 325.364 3.197 20 30 EGEDRM CCN(CC)c1ccc(/C=N/c2cccc(S(C)(=O)=O)c2)c(O)c1 ZINC000005327291 452859390 /nfs/dbraw/zinc/85/93/90/452859390.db2.gz FBLBAMRIGFEKJO-CPNJWEJPSA-N -1 0 346.452 3.393 20 30 EGEDRM Cc1cc(N2CC[C@H](C(=O)[O-])[C@H](C)C2)n2c3ccccc3nc2c1C#N ZINC000600803489 460609879 /nfs/dbraw/zinc/60/98/79/460609879.db2.gz WDCFBQFVRLFBQF-KGLIPLIRSA-N -1 0 348.406 3.215 20 30 EGEDRM N#Cc1cc([N-]S(=O)(=O)c2c(F)cccc2F)ccc1Cl ZINC000025766627 453785121 /nfs/dbraw/zinc/78/51/21/453785121.db2.gz SFNXSXUDAVJOEH-UHFFFAOYSA-N -1 0 328.727 3.291 20 30 EGEDRM N#CC(=C([O-])c1cnn2cccnc12)c1nc(-c2ccccc2)cs1 ZINC000041522345 453970599 /nfs/dbraw/zinc/97/05/99/453970599.db2.gz BBPZSNVWGOUHNK-CYBMUJFWSA-N -1 0 345.387 3.343 20 30 EGEDRM CCN(CCC#N)C(=O)c1nn(-c2ccc(C(C)C)cc2)cc1[O-] ZINC000084409388 453987817 /nfs/dbraw/zinc/98/78/17/453987817.db2.gz GFZPEDVNDIBKMT-UHFFFAOYSA-N -1 0 326.400 3.077 20 30 EGEDRM CC(C)COc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000055652027 454002614 /nfs/dbraw/zinc/00/26/14/454002614.db2.gz OEXYCYJSKIPXHR-UHFFFAOYSA-N -1 0 330.409 3.394 20 30 EGEDRM O=C(CC1CCCCC1)[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000042267543 454003337 /nfs/dbraw/zinc/00/33/37/454003337.db2.gz SYBKXPHJVIBPNZ-UHFFFAOYSA-N -1 0 339.413 3.073 20 30 EGEDRM O=C(CC12CC3CC(CC(C3)C1)C2)[N-]S(=O)(=O)c1cccnc1 ZINC000042322917 454006523 /nfs/dbraw/zinc/00/65/23/454006523.db2.gz GFDFAHOBPPHCPH-UHFFFAOYSA-N -1 0 334.441 3.333 20 30 EGEDRM O=C(Cc1cccnc1)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000076765803 454034680 /nfs/dbraw/zinc/03/46/80/454034680.db2.gz MJZXXXLYAADKLT-UHFFFAOYSA-N -1 0 345.207 3.276 20 30 EGEDRM COc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000076936504 454050532 /nfs/dbraw/zinc/05/05/32/454050532.db2.gz BHJLWMHIDLVDJD-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM CC(C)Oc1cncc(C([O-])=C(C#N)c2cnc3ccccc3n2)c1 ZINC000190931889 455408566 /nfs/dbraw/zinc/40/85/66/455408566.db2.gz JAHBOFZZLZBJHA-OAHLLOKOSA-N -1 0 332.363 3.302 20 30 EGEDRM CCCN(Cc1c([O-])nnn1-c1ccccc1)Cc1ccc(C#N)cc1 ZINC000057086746 454102166 /nfs/dbraw/zinc/10/21/66/454102166.db2.gz WXXXDPALTNRZGK-UHFFFAOYSA-N -1 0 347.422 3.257 20 30 EGEDRM CN(CCC#N)Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1 ZINC000078645381 454291505 /nfs/dbraw/zinc/29/15/05/454291505.db2.gz GZQNHRUPJPPSIO-UHFFFAOYSA-N -1 0 342.399 3.136 20 30 EGEDRM CC(C)c1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)c1 ZINC000120636134 454329639 /nfs/dbraw/zinc/32/96/39/454329639.db2.gz QOPVFFDTLHFEFQ-UHFFFAOYSA-N -1 0 345.380 3.391 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2cc(N(C)C)ccc2C#N)sc1C ZINC000091018849 454363429 /nfs/dbraw/zinc/36/34/29/454363429.db2.gz JQXHFDKGVWGBHL-UHFFFAOYSA-N -1 0 335.454 3.103 20 30 EGEDRM C[C@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCCO3)C1 ZINC000091125626 454387534 /nfs/dbraw/zinc/38/75/34/454387534.db2.gz RTFPNCHCNXDRAS-JSGCOSHPSA-N -1 0 337.441 3.483 20 30 EGEDRM Cc1noc(C(C)C)c1C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000048409829 454486497 /nfs/dbraw/zinc/48/64/97/454486497.db2.gz ZJWLQJWEUHBCRL-UHFFFAOYSA-N -1 0 342.804 3.453 20 30 EGEDRM COCc1nc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)cs1 ZINC000065042270 454525313 /nfs/dbraw/zinc/52/53/13/454525313.db2.gz NUPYMTNTHVDYOS-VIFPVBQESA-N -1 0 341.314 3.193 20 30 EGEDRM C=CCN(C)C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000136918435 454761280 /nfs/dbraw/zinc/76/12/80/454761280.db2.gz JZUUNAGAVGWBJT-UHFFFAOYSA-N -1 0 344.436 3.054 20 30 EGEDRM Cc1nn(C)c2ncc(C([O-])=C(C#N)c3nc(C(C)C)cs3)cc12 ZINC000177743269 454899301 /nfs/dbraw/zinc/89/93/01/454899301.db2.gz QHFYQAWEGOJYJG-ZDUSSCGKSA-N -1 0 339.424 3.347 20 30 EGEDRM N#Cc1cccnc1[N-]S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000170087684 454932170 /nfs/dbraw/zinc/93/21/70/454932170.db2.gz ZNTVVMFUIXHCPN-UHFFFAOYSA-N -1 0 342.207 3.202 20 30 EGEDRM N#CC(=C([O-])c1ccc(C(=O)NC2CC2)cc1)c1nc2ccccc2o1 ZINC000178882838 454987143 /nfs/dbraw/zinc/98/71/43/454987143.db2.gz FFNSCLJVCQUHAW-HNNXBMFYSA-N -1 0 345.358 3.210 20 30 EGEDRM CC(C)NC(=O)c1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)cc1 ZINC000179489515 455052110 /nfs/dbraw/zinc/05/21/10/455052110.db2.gz FDRNNNUCXHAIBH-OAHLLOKOSA-N -1 0 347.374 3.456 20 30 EGEDRM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C)oc1C ZINC000182806857 455168566 /nfs/dbraw/zinc/16/85/66/455168566.db2.gz ONMAQVUWQRQFBA-UHFFFAOYSA-N -1 0 333.413 3.391 20 30 EGEDRM CCSc1cc(C([O-])=C(C#N)c2nnc3n2CCCCC3)ccn1 ZINC000183514229 455301712 /nfs/dbraw/zinc/30/17/12/455301712.db2.gz PCMRGGULFBKSMV-CYBMUJFWSA-N -1 0 341.440 3.002 20 30 EGEDRM CC[C@H](CC#N)NC(=O)c1nn(-c2ccc(C(C)C)cc2)cc1[O-] ZINC000183859977 455333087 /nfs/dbraw/zinc/33/30/87/455333087.db2.gz MAUNZOMQZPZXDE-CQSZACIVSA-N -1 0 326.400 3.123 20 30 EGEDRM N#C[C@H]([N-]C(=O)C(F)(F)C(F)F)c1cccc(Br)c1 ZINC000267240980 455522250 /nfs/dbraw/zinc/52/22/50/455522250.db2.gz IWZMMCFCXCHTAM-QMMMGPOBSA-N -1 0 339.086 3.030 20 30 EGEDRM COc1cccc(C([O-])=C(C#N)c2nc3ccccc3o2)c1[N+](=O)[O-] ZINC000192542462 455638747 /nfs/dbraw/zinc/63/87/47/455638747.db2.gz OGBJOSAHWPBCHV-LLVKDONJSA-N -1 0 337.291 3.235 20 30 EGEDRM COc1cccc(C([O-])=C(C#N)c2nc3ccccc3o2)c1[N+](=O)[O-] ZINC000192542475 455638977 /nfs/dbraw/zinc/63/89/77/455638977.db2.gz OGBJOSAHWPBCHV-NSHDSACASA-N -1 0 337.291 3.235 20 30 EGEDRM C=CCOc1ccc(/C=C/C(=O)NC(C)(C)CCC(=O)[O-])cc1OC ZINC000268888700 455718980 /nfs/dbraw/zinc/71/89/80/455718980.db2.gz IBBABSCKBDYXIM-VQHVLOKHSA-N -1 0 347.411 3.033 20 30 EGEDRM N#CCc1ccccc1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000193358780 455754281 /nfs/dbraw/zinc/75/42/81/455754281.db2.gz ZHRSXNVAVYHBGJ-UHFFFAOYSA-N -1 0 331.784 3.079 20 30 EGEDRM CCCCCCC[C@H](C)CNC(=O)Cc1c(C)nc2cc[n-]n2c1=O ZINC000253540122 455851550 /nfs/dbraw/zinc/85/15/50/455851550.db2.gz VZBFXTSJJHRIBY-AWEZNQCLSA-N -1 0 346.475 3.399 20 30 EGEDRM O=C1OCCN1c1ccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000255210124 455863004 /nfs/dbraw/zinc/86/30/04/455863004.db2.gz HLJDCTUNIJJCBG-UHFFFAOYSA-N -1 0 327.296 3.008 20 30 EGEDRM CC(C)NC(=O)Nc1ccc(NC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000188249659 456030132 /nfs/dbraw/zinc/03/01/32/456030132.db2.gz SHWZABHRRKMSSI-UHFFFAOYSA-N -1 0 338.367 3.046 20 30 EGEDRM C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H](C)[C@@H](C)C(=O)[O-] ZINC000263485192 456156178 /nfs/dbraw/zinc/15/61/78/456156178.db2.gz VJUBNWSYQBZYOW-NXEZZACHSA-N -1 0 345.317 3.109 20 30 EGEDRM Cc1nnc([C@H](C)/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])s1 ZINC000273503251 456234406 /nfs/dbraw/zinc/23/44/06/456234406.db2.gz MNZLDZRBDWWGOG-JHKKWMAKSA-N -1 0 326.765 3.294 20 30 EGEDRM Cn1c(NC(=O)c2ccc(C#N)c([O-])c2)nc2c1cccc2Cl ZINC000189217286 456257227 /nfs/dbraw/zinc/25/72/27/456257227.db2.gz YIHVHSRNNYWFNG-UHFFFAOYSA-N -1 0 326.743 3.056 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2csc(C3CC3)n2)n1 ZINC000352771283 456292012 /nfs/dbraw/zinc/29/20/12/456292012.db2.gz NTWLKROQSJLXRE-VIFPVBQESA-N -1 0 347.421 3.144 20 30 EGEDRM Cc1n[nH]cc1C([O-])=C(C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000347727496 456330723 /nfs/dbraw/zinc/33/07/23/456330723.db2.gz HCHXYXFKUXJDHP-ZDUSSCGKSA-N -1 0 333.376 3.203 20 30 EGEDRM CC(C)n1cc(C#N)c(=NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)[n-]1 ZINC000348269907 456585716 /nfs/dbraw/zinc/58/57/16/456585716.db2.gz RSWVAIOWEBYWMS-CQSZACIVSA-N -1 0 348.406 3.317 20 30 EGEDRM C=CCCC[C@@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)CCC ZINC000343498167 456660608 /nfs/dbraw/zinc/66/06/08/456660608.db2.gz YZTLRNLWZVKFGS-CQSZACIVSA-N -1 0 338.473 3.313 20 30 EGEDRM C=CCOc1ccc(C(=O)NCCCCCCC(=O)[O-])cc1OC ZINC000299383931 456676056 /nfs/dbraw/zinc/67/60/56/456676056.db2.gz XNPYIZULXBLKSA-UHFFFAOYSA-N -1 0 335.400 3.025 20 30 EGEDRM Cc1cc(C(C#N)=C([O-])c2ccn(-c3ccc(F)cc3C)n2)nc(C)n1 ZINC000340871552 456732148 /nfs/dbraw/zinc/73/21/48/456732148.db2.gz HOQZSHUQURHOIG-HNNXBMFYSA-N -1 0 349.369 3.217 20 30 EGEDRM C=CCCCS(=O)(=O)[N-]c1nnc(Cc2ccc(Cl)cc2)o1 ZINC000291804515 456762989 /nfs/dbraw/zinc/76/29/89/456762989.db2.gz BWXRPRVGVSFTMI-UHFFFAOYSA-N -1 0 341.820 3.022 20 30 EGEDRM CCCCn1ncc([N-]S(=O)(=O)c2ccc(C#N)o2)c1C(C)C ZINC000340972778 456791850 /nfs/dbraw/zinc/79/18/50/456791850.db2.gz PFXLCEAKLYDNCP-UHFFFAOYSA-N -1 0 336.417 3.072 20 30 EGEDRM O=C(Nc1ncn(C2CCCCC2)n1)c1cc2nc[nH]c2cc1F ZINC000329174740 456848679 /nfs/dbraw/zinc/84/86/79/456848679.db2.gz BFVKYDUXZVPDDH-UHFFFAOYSA-N -1 0 328.351 3.435 20 30 EGEDRM COCc1ccccc1S(=O)(=O)[N-]c1cc(Cl)ccc1C#N ZINC000353793805 456909162 /nfs/dbraw/zinc/90/91/62/456909162.db2.gz KPXPVIZUNXMWBT-UHFFFAOYSA-N -1 0 336.800 3.159 20 30 EGEDRM CC(C)n1cc(C#N)c(=NC(=O)[C@H](C)CSc2ccc(F)cc2)[n-]1 ZINC000345196138 456963677 /nfs/dbraw/zinc/96/36/77/456963677.db2.gz YDRRWIKXGJSBSR-GFCCVEGCSA-N -1 0 346.431 3.264 20 30 EGEDRM CCOC(=O)c1ccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)nc1 ZINC000345565148 456982935 /nfs/dbraw/zinc/98/29/35/456982935.db2.gz HAPXMTWVXHMRDL-LBPRGKRZSA-N -1 0 343.408 3.328 20 30 EGEDRM N#Cc1c(Br)cccc1S(=O)(=O)[N-]c1ccsc1 ZINC000339205821 456992407 /nfs/dbraw/zinc/99/24/07/456992407.db2.gz WCPXSOPIKVACHJ-UHFFFAOYSA-N -1 0 343.227 3.183 20 30 EGEDRM CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1n[nH]c(C2CC2)c1C#N ZINC000362657075 457029412 /nfs/dbraw/zinc/02/94/12/457029412.db2.gz MQRSEZGYCULNMG-UHFFFAOYSA-N -1 0 344.440 3.257 20 30 EGEDRM CCCOCC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000359058492 457050496 /nfs/dbraw/zinc/05/04/96/457050496.db2.gz ICMMBPIYIOHGBF-UHFFFAOYSA-N -1 0 337.375 3.150 20 30 EGEDRM C=CCN(Cc1cccs1)C(=O)N=c1[n-]nc(SCC)s1 ZINC000359452652 457085218 /nfs/dbraw/zinc/08/52/18/457085218.db2.gz LDDVSTGDZXVMOQ-UHFFFAOYSA-N -1 0 340.499 3.354 20 30 EGEDRM CS[C@@H](C/N=C(/[O-])c1cnc2sc(C)cn2c1=O)C(C)(C)C ZINC000330833179 457091822 /nfs/dbraw/zinc/09/18/22/457091822.db2.gz RSRGANLGUUPNOQ-NSHDSACASA-N -1 0 339.486 3.147 20 30 EGEDRM N#CC(=C([O-])c1csc(-c2c(F)cccc2F)n1)c1ccncn1 ZINC000354464668 457240654 /nfs/dbraw/zinc/24/06/54/457240654.db2.gz KBXGPMVATLLOLA-SECBINFHSA-N -1 0 342.330 3.368 20 30 EGEDRM CCCc1c(C([O-])=C(C#N)c2ccncn2)cnn1-c1cccc(F)c1 ZINC000354466860 457242265 /nfs/dbraw/zinc/24/22/65/457242265.db2.gz KHRXYZUQKIZENB-OAHLLOKOSA-N -1 0 349.369 3.244 20 30 EGEDRM Cc1[n-][nH]c(=NC(=O)c2cc(C3CC3)nc3c(C)cc(C)cc23)c1C#N ZINC000357181501 457361955 /nfs/dbraw/zinc/36/19/55/457361955.db2.gz VQEOVIWTOOKYLE-UHFFFAOYSA-N -1 0 345.406 3.306 20 30 EGEDRM N#Cc1cc(Oc2ccc([N-]S(=O)(=O)c3ccoc3)cc2)ccn1 ZINC000357329169 457449933 /nfs/dbraw/zinc/44/99/33/457449933.db2.gz BGMJRBFODBYFAG-UHFFFAOYSA-N -1 0 341.348 3.139 20 30 EGEDRM Cc1ncn(-c2ccc(NC(=O)c3ccc(C#N)c([O-])c3)cc2)c1C ZINC000360941100 457450104 /nfs/dbraw/zinc/45/01/04/457450104.db2.gz DTQLBXOZDTVQIH-UHFFFAOYSA-N -1 0 332.363 3.319 20 30 EGEDRM C=CCC[C@H](NC(=O)[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F)C(=O)[O-] ZINC000425253637 457472830 /nfs/dbraw/zinc/47/28/30/457472830.db2.gz KJYXNXGLNVEPSO-HWIRSSMVSA-N -1 0 333.350 3.137 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2Cl)cc1F ZINC000357449367 457535437 /nfs/dbraw/zinc/53/54/37/457535437.db2.gz FRFWLLHNGUYZSD-UHFFFAOYSA-N -1 0 328.727 3.291 20 30 EGEDRM CCOc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000427102969 457943899 /nfs/dbraw/zinc/94/38/99/457943899.db2.gz URMVOEGYFGQEBA-UHFFFAOYSA-N -1 0 334.372 3.205 20 30 EGEDRM Cn1cc(C([O-])=C(C#N)c2nc3ccccc3o2)c(-c2ccoc2)n1 ZINC000434623585 458024415 /nfs/dbraw/zinc/02/44/15/458024415.db2.gz LXWPMFODPXLIPQ-LBPRGKRZSA-N -1 0 332.319 3.311 20 30 EGEDRM COc1ccc2nc(C=C(C)c3nc(C)c(C#N)c(=O)[n-]3)sc2c1 ZINC000435337060 458117401 /nfs/dbraw/zinc/11/74/01/458117401.db2.gz SZDGVDPSYHYBBW-TWGQIWQCSA-N -1 0 338.392 3.129 20 30 EGEDRM CCOC(=O)c1cnc(/C=C/c2ccc(C#N)c(C)c2)c(C(=O)[O-])c1 ZINC000435757948 458197336 /nfs/dbraw/zinc/19/73/36/458197336.db2.gz DDXZURBOUOSBAJ-FNORWQNLSA-N -1 0 336.347 3.307 20 30 EGEDRM CCC(=O)c1ccc([O-])c(NC(=O)Cc2c(F)cccc2C#N)c1 ZINC000436642793 458351234 /nfs/dbraw/zinc/35/12/34/458351234.db2.gz CAQZDYADLAKCQB-UHFFFAOYSA-N -1 0 326.327 3.177 20 30 EGEDRM CCC(=O)c1ccc([O-])c(NC(=O)c2cc(C#N)cc(N(C)C)c2)c1 ZINC000436764157 458377399 /nfs/dbraw/zinc/37/73/99/458377399.db2.gz JPZRQIIBYZNXNG-UHFFFAOYSA-N -1 0 337.379 3.175 20 30 EGEDRM COC(=O)c1cc(Cn2[n-]c(C(C)(C)C)c(CCC#N)c2=O)cs1 ZINC000418900998 458377483 /nfs/dbraw/zinc/37/74/83/458377483.db2.gz NQJYGUCUHQOWQR-UHFFFAOYSA-N -1 0 347.440 3.239 20 30 EGEDRM CC(=O)c1ccc([O-])c(NC(=O)CSCc2ccc(C#N)cc2)c1 ZINC000436862123 458395035 /nfs/dbraw/zinc/39/50/35/458395035.db2.gz MVTKXAJPOFXGML-UHFFFAOYSA-N -1 0 340.404 3.338 20 30 EGEDRM C=C(C)Cn1c(-c2ncccc2C)n[n-]c1=Nc1cccc(OC)c1 ZINC000460372506 458513840 /nfs/dbraw/zinc/51/38/40/458513840.db2.gz DXJDBZYLCWXNJG-UHFFFAOYSA-N -1 0 335.411 3.399 20 30 EGEDRM C=C(C)Cn1c([C@H](CC)c2ccccc2)n[n-]c1=Nc1cnn(C)c1 ZINC000460370260 458514362 /nfs/dbraw/zinc/51/43/62/458514362.db2.gz PLYHZCDNQVKECN-QGZVFWFLSA-N -1 0 336.443 3.295 20 30 EGEDRM C=CCOc1cc(OC)ccc1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000431810384 458628670 /nfs/dbraw/zinc/62/86/70/458628670.db2.gz NBXHVSSLLVHDFC-UHFFFAOYSA-N -1 0 341.363 3.139 20 30 EGEDRM C=CCc1cc(C(=O)Nc2cc(C(=O)[O-])cs2)cc(OC)c1OC ZINC000576926157 458948414 /nfs/dbraw/zinc/94/84/14/458948414.db2.gz REZBOHVWGUMNBG-UHFFFAOYSA-N -1 0 347.392 3.444 20 30 EGEDRM C=CCC[C@H](NC(=O)Nc1cccc(COCC2CC2)c1)C(=O)[O-] ZINC000577264736 459007505 /nfs/dbraw/zinc/00/75/05/459007505.db2.gz ZMCIAIOAWVBIQS-INIZCTEOSA-N -1 0 332.400 3.154 20 30 EGEDRM CSc1cc2c(cc1NC(=O)c1ccc(C#N)c([O-])c1)OCCO2 ZINC000442653207 459020970 /nfs/dbraw/zinc/02/09/70/459020970.db2.gz PJERDJFSWDLBLY-UHFFFAOYSA-N -1 0 342.376 3.009 20 30 EGEDRM Cc1nn2cccnc2c1C([O-])=C(C#N)c1ccc2ccccc2n1 ZINC000590208071 459100799 /nfs/dbraw/zinc/10/07/99/459100799.db2.gz MPBBCPMXSYNCSX-CQSZACIVSA-N -1 0 327.347 3.076 20 30 EGEDRM CCc1cc(C#N)c([N-]S(=O)(=O)CCc2ccccc2F)s1 ZINC000594725579 459142007 /nfs/dbraw/zinc/14/20/07/459142007.db2.gz GYPKIGHNFOLECS-UHFFFAOYSA-N -1 0 338.429 3.306 20 30 EGEDRM COCCCOc1ccc(-c2cccc(OCC(=O)[O-])c2C#N)cc1 ZINC000594874332 459163871 /nfs/dbraw/zinc/16/38/71/459163871.db2.gz FOYMLPOHLXWDSD-UHFFFAOYSA-N -1 0 341.363 3.104 20 30 EGEDRM COc1cccc(N=c2[n-]nc(SCC3(CC#N)CC3)s2)c1 ZINC000594878849 459165724 /nfs/dbraw/zinc/16/57/24/459165724.db2.gz MYFSNENXBHMICY-UHFFFAOYSA-N -1 0 332.454 3.498 20 30 EGEDRM CC(N=Nc1ccc(C(=O)[O-])cc1F)[C@H](C)NC(=O)OC(C)(C)C ZINC000496395863 459178459 /nfs/dbraw/zinc/17/84/59/459178459.db2.gz BEZPNDOKUDUYCK-VIFPVBQESA-N -1 0 339.367 3.225 20 30 EGEDRM C[C@@H](CN=Nc1ccc(C(=O)[O-])c(F)c1)CNC(=O)OC(C)(C)C ZINC000496541092 459231958 /nfs/dbraw/zinc/23/19/58/459231958.db2.gz YLEPALOYHKPHLT-SNVBAGLBSA-N -1 0 339.367 3.082 20 30 EGEDRM C=CCCSCCNC(=O)c1ccccc1S[C@@H](C)C(=O)[O-] ZINC000595244881 459261400 /nfs/dbraw/zinc/26/14/00/459261400.db2.gz NVJSSEHYFDUKIR-LBPRGKRZSA-N -1 0 339.482 3.291 20 30 EGEDRM N#CC(=C([O-])c1ccnc(N2CCCCC2)n1)c1nc2ccccc2o1 ZINC000524810106 459396298 /nfs/dbraw/zinc/39/62/98/459396298.db2.gz NUCNDMMMJUHNKD-CYBMUJFWSA-N -1 0 347.378 3.098 20 30 EGEDRM Cn1nc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)cc1C1CC1 ZINC000525283839 459441086 /nfs/dbraw/zinc/44/10/86/459441086.db2.gz BPAGRHTVZQCKRJ-ZDUSSCGKSA-N -1 0 349.419 3.306 20 30 EGEDRM CC(C)(C)c1ccc(C#N)c(N2Cc3ccccc3[C@@H](C(=O)[O-])C2)n1 ZINC000595972496 459490297 /nfs/dbraw/zinc/49/02/97/459490297.db2.gz NAIAYIGIUATNFE-INIZCTEOSA-N -1 0 335.407 3.439 20 30 EGEDRM C=CCN(CC=C)C(=O)N=c1nc(-c2cccc(Cl)c2)[n-]s1 ZINC000541796539 459492408 /nfs/dbraw/zinc/49/24/08/459492408.db2.gz JWXXUNGYKOFZJH-UHFFFAOYSA-N -1 0 334.832 3.486 20 30 EGEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)NCC1(C(=O)[O-])CCC1 ZINC000596059110 459505466 /nfs/dbraw/zinc/50/54/66/459505466.db2.gz MTLAAKKBKPWHPV-GFCCVEGCSA-N -1 0 347.440 3.457 20 30 EGEDRM O=C([O-])[C@@H]1CC[C@H](NC(=O)c2ccc(C#Cc3ccccc3)cc2)C1 ZINC000562464788 459567596 /nfs/dbraw/zinc/56/75/96/459567596.db2.gz SMTQIRLUQDSXQU-MOPGFXCFSA-N -1 0 333.387 3.070 20 30 EGEDRM C=CCCCS(=O)(=O)[N-][C@H](CCc1ccccc1)C(F)(F)F ZINC000489693786 459569719 /nfs/dbraw/zinc/56/97/19/459569719.db2.gz WUZLNBQIQTXMOO-CQSZACIVSA-N -1 0 335.391 3.436 20 30 EGEDRM N#Cc1[n-]c(=NC[C@H](OC2CCCC2)C(F)(F)F)sc1Cl ZINC000596414956 459629191 /nfs/dbraw/zinc/62/91/91/459629191.db2.gz FMIGMIWLSLIPMZ-VIFPVBQESA-N -1 0 339.770 3.392 20 30 EGEDRM C=CCN(CCc1ccco1)C(=O)c1cc(F)c(F)c([O-])c1F ZINC000543606131 459674080 /nfs/dbraw/zinc/67/40/80/459674080.db2.gz DYGKDQUQNHIJTK-UHFFFAOYSA-N -1 0 325.286 3.273 20 30 EGEDRM N#CC1CCN(C(=O)N=c2nc(-c3cccc(Cl)c3)[n-]s2)CC1 ZINC000543655357 459680582 /nfs/dbraw/zinc/68/05/82/459680582.db2.gz DKFBOXFZGNBUGQ-UHFFFAOYSA-N -1 0 347.831 3.048 20 30 EGEDRM C=CCC[C@@H](NC(=O)Nc1ccc(OC(C)C)c(OC)c1)C(=O)[O-] ZINC000573682884 459717616 /nfs/dbraw/zinc/71/76/16/459717616.db2.gz IDIQGWMBRQKUNR-CYBMUJFWSA-N -1 0 336.388 3.023 20 30 EGEDRM C=CCC[C@@H](NC(=O)NCc1ccc(C)cc1OCCC)C(=O)[O-] ZINC000563940021 459769491 /nfs/dbraw/zinc/76/94/91/459769491.db2.gz IRRLQWYWIRGTNZ-OAHLLOKOSA-N -1 0 334.416 3.002 20 30 EGEDRM COc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(F)c(C#N)c1 ZINC000609106623 459905391 /nfs/dbraw/zinc/90/53/91/459905391.db2.gz MDZJJTKRPDARFG-UHFFFAOYSA-N -1 0 340.763 3.160 20 30 EGEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)o2)cc(C(F)(F)F)c1 ZINC000588849956 459991569 /nfs/dbraw/zinc/99/15/69/459991569.db2.gz JOCHGMHNTDQXBV-UHFFFAOYSA-N -1 0 330.287 3.279 20 30 EGEDRM CC(C)(C)OCc1ccc([N-]S(=O)(=O)c2ccc(C#N)o2)cc1 ZINC000588848184 459992140 /nfs/dbraw/zinc/99/21/40/459992140.db2.gz ZEVSHYNBANNAGJ-UHFFFAOYSA-N -1 0 334.397 3.267 20 30 EGEDRM N#CC1(c2nc(-c3cc(F)c([O-])c(Br)c3)no2)CCC1 ZINC000598683648 459992556 /nfs/dbraw/zinc/99/25/56/459992556.db2.gz MLRBTEQLONOBHU-UHFFFAOYSA-N -1 0 338.136 3.289 20 30 EGEDRM CC(C)[C@H](CNC(=O)Nc1ccccc1SC[C@@H](C)C#N)C(=O)[O-] ZINC000593956681 460026505 /nfs/dbraw/zinc/02/65/05/460026505.db2.gz PTUPNEMIHINKJC-STQMWFEESA-N -1 0 349.456 3.417 20 30 EGEDRM CC(C)C[C@H](C(=O)N=c1[n-]n(C)cc1C#N)c1ccc(Cl)cc1 ZINC000598817405 460050597 /nfs/dbraw/zinc/05/05/97/460050597.db2.gz SNWRXTZDOMLKPF-HNNXBMFYSA-N -1 0 330.819 3.135 20 30 EGEDRM N#Cc1ccc(C(=O)[O-])nc1/C=C\c1ccc(OCC(F)F)cc1 ZINC000610218407 460084714 /nfs/dbraw/zinc/08/47/14/460084714.db2.gz KUIMHVXRNGTDQU-CLTKARDFSA-N -1 0 330.290 3.466 20 30 EGEDRM N#C[C@@]1(NC(=O)c2cc(Cl)c3ccccc3c2[O-])CCSC1 ZINC000610573174 460185395 /nfs/dbraw/zinc/18/53/95/460185395.db2.gz ONEQMZUWMRFIFN-INIZCTEOSA-N -1 0 332.812 3.328 20 30 EGEDRM CC(C)Oc1ccccc1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000619461807 460361947 /nfs/dbraw/zinc/36/19/47/460361947.db2.gz LWHNNXRHVKSOPU-UHFFFAOYSA-N -1 0 330.409 3.341 20 30 EGEDRM CCCOc1cc(F)ccc1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000619463369 460363489 /nfs/dbraw/zinc/36/34/89/460363489.db2.gz OVGJYKUQEQKKKO-UHFFFAOYSA-N -1 0 348.399 3.481 20 30 EGEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)c1ccc(SC)cc1 ZINC000613268255 460888094 /nfs/dbraw/zinc/88/80/94/460888094.db2.gz JFXABFLUNMUNMU-UHFFFAOYSA-N -1 0 334.422 3.090 20 30 EGEDRM CC(C)c1ccc([C@](C)(CC(=O)[O-])C(=O)NCCCCC#N)cc1 ZINC000601986262 460972408 /nfs/dbraw/zinc/97/24/08/460972408.db2.gz SFDGOSOLSIZJLD-IBGZPJMESA-N -1 0 330.428 3.352 20 30 EGEDRM C[C@H](NC(=O)[C@](C)(CC(=O)[O-])c1ccsc1)c1cccc(C#N)c1 ZINC000601991791 460976253 /nfs/dbraw/zinc/97/62/53/460976253.db2.gz PWROUTZFYKBBQN-KPZWWZAWSA-N -1 0 342.420 3.230 20 30 EGEDRM C=CCSCCNC(=O)C[C@@](C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000602013302 460989641 /nfs/dbraw/zinc/98/96/41/460989641.db2.gz VLJYLNLTKSFZNI-MRXNPFEDSA-N -1 0 341.860 3.108 20 30 EGEDRM CC(C)CCn1cc(C([O-])=C(C#N)c2nc(C3CC3)cs2)nn1 ZINC000647378111 461669121 /nfs/dbraw/zinc/66/91/21/461669121.db2.gz VQDVPCMHUPBCQO-LBPRGKRZSA-N -1 0 329.429 3.148 20 30 EGEDRM C=C(C)COc1cccc(NC(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)c1 ZINC000647695315 461806566 /nfs/dbraw/zinc/80/65/66/461806566.db2.gz AWNXTQXABLPSLI-CZUORRHYSA-N -1 0 332.400 3.216 20 30 EGEDRM N#CC(=C([O-])c1ccn(C(F)F)n1)c1nc(-c2ccncc2)cs1 ZINC000678923030 549595192 /nfs/dbraw/zinc/59/51/92/549595192.db2.gz ZMJANMCLYJOBMK-JTQLQIEISA-N -1 0 345.334 3.287 20 30 EGEDRM C=CCCC[C@@H](C)NC(=O)N[C@@H](C(=O)[O-])c1ccc(OC)c(F)c1 ZINC000684733020 550362121 /nfs/dbraw/zinc/36/21/21/550362121.db2.gz LIQPYJIOVAMFFB-IAQYHMDHSA-N -1 0 338.379 3.004 20 30 EGEDRM O=C(/C=C/c1ccc(N2CCOCC2)c(F)c1)c1ccc([O-])c(F)c1 ZINC000728439038 574749313 /nfs/dbraw/zinc/74/93/13/574749313.db2.gz VBWDQGGMOOPQEZ-GORDUTHDSA-N -1 0 345.345 3.403 20 30 EGEDRM O=C([O-])C(F)(F)Oc1ccc(/C=C2/COc3ccccc3C2=O)cc1 ZINC000730732140 575014563 /nfs/dbraw/zinc/01/45/63/575014563.db2.gz CQEHCXHHTIFNEE-XFXZXTDPSA-N -1 0 346.285 3.402 20 30 EGEDRM C[C@H](OC(=O)c1ccccc1Sc1ccccc1C#N)C(=O)[O-] ZINC000737719991 575016987 /nfs/dbraw/zinc/01/69/87/575016987.db2.gz XVMAOPSKKPWANV-NSHDSACASA-N -1 0 327.361 3.339 20 30 EGEDRM C#CCOc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2F)cc1 ZINC000730995913 575042729 /nfs/dbraw/zinc/04/27/29/575042729.db2.gz CJUDUMFCNFTRMR-UHFFFAOYSA-N -1 0 339.775 3.292 20 30 EGEDRM C#CCOc1ccc(NC(=O)C[C@@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC000731040219 575046075 /nfs/dbraw/zinc/04/60/75/575046075.db2.gz LSAZVEKOOSPKQZ-HXUWFJFHSA-N -1 0 337.375 3.070 20 30 EGEDRM Cc1cc(C)cc(NN=Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)c1 ZINC000731557263 575081443 /nfs/dbraw/zinc/08/14/43/575081443.db2.gz IEKBKICQTYAXGA-UHFFFAOYSA-N -1 0 343.339 3.121 20 30 EGEDRM Cc1cccc(C[C@H](CNc2ccc(C#N)cc2[N+](=O)[O-])C(=O)[O-])c1 ZINC000738708035 575239559 /nfs/dbraw/zinc/23/95/59/575239559.db2.gz RAAMDUOIUVAZGJ-OAHLLOKOSA-N -1 0 339.351 3.130 20 30 EGEDRM COc1cc(C=NOCc2cc(C(=O)[O-])co2)ccc1OC(C)C ZINC000737876769 575271050 /nfs/dbraw/zinc/27/10/50/575271050.db2.gz CBNVGKJCXIXKEC-UHFFFAOYSA-N -1 0 333.340 3.324 20 30 EGEDRM C[C@H]1C[C@@H]1c1ccc(C=Nn2c(=O)c3ccccc3[n-]c2=S)o1 ZINC000732769459 575287079 /nfs/dbraw/zinc/28/70/79/575287079.db2.gz IZFGHRNMIIJDNN-GWCFXTLKSA-N -1 0 325.393 3.284 20 30 EGEDRM O=C1Nc2ccccc2C1=N[N-]c1nc(-c2ccc(Cl)cc2)no1 ZINC000732924820 575296659 /nfs/dbraw/zinc/29/66/59/575296659.db2.gz AAEHNWLRHGTQKU-UHFFFAOYSA-N -1 0 339.742 3.158 20 30 EGEDRM CCOc1ccc(C(=O)/C=C\c2cccc(OCC(=O)[O-])c2)cc1 ZINC000733207567 575320655 /nfs/dbraw/zinc/32/06/55/575320655.db2.gz ZWULZGFOBPRSFG-WDZFZDKYSA-N -1 0 326.348 3.445 20 30 EGEDRM C#CCOc1ccc(NC(=O)N[C@H](CC(=O)[O-])c2ccccc2)cc1 ZINC000736089188 575898145 /nfs/dbraw/zinc/89/81/45/575898145.db2.gz HNCUYIQNTYBCCV-QGZVFWFLSA-N -1 0 338.363 3.036 20 30 EGEDRM C#Cc1ccc(C(=O)Nc2sc(C(C)(C)C)cc2C(=O)[O-])nc1 ZINC000736092162 575898505 /nfs/dbraw/zinc/89/85/05/575898505.db2.gz FCXVOUZFWSNSGJ-UHFFFAOYSA-N -1 0 328.393 3.372 20 30 EGEDRM C#CCOc1ccc(NC(=O)c2[nH]c(C)c(C(=O)[O-])c2CCC)cc1 ZINC000736090281 575898585 /nfs/dbraw/zinc/89/85/85/575898585.db2.gz YVJDVQKMVMFIIP-UHFFFAOYSA-N -1 0 340.379 3.238 20 30 EGEDRM C=CC[C@H](NC(=O)c1[nH]c(CC)c(C(=O)[O-])c1C)c1ccncc1 ZINC000736097054 575899232 /nfs/dbraw/zinc/89/92/32/575899232.db2.gz VZDFSNAPPUFOEO-AWEZNQCLSA-N -1 0 327.384 3.026 20 30 EGEDRM C=CCOc1ccc(C(=O)Oc2c(OC)cccc2C(=O)[O-])cc1 ZINC000736114022 575900279 /nfs/dbraw/zinc/90/02/79/575900279.db2.gz JBZRQRJZTCZPFK-UHFFFAOYSA-N -1 0 328.320 3.177 20 30 EGEDRM C/C(=C\C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000736121495 575902017 /nfs/dbraw/zinc/90/20/17/575902017.db2.gz SOAXYOXQEGNQIH-KSEUIEODSA-N -1 0 339.322 3.470 20 30 EGEDRM CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2ccc(C(=O)[O-])cn2)cc1 ZINC000736297860 575929106 /nfs/dbraw/zinc/92/91/06/575929106.db2.gz VNOYHBXACVEGSO-INIZCTEOSA-N -1 0 337.379 3.072 20 30 EGEDRM CC(C)(NC(=O)[O-])C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 ZINC000736338031 575937909 /nfs/dbraw/zinc/93/79/09/575937909.db2.gz ZISPCZLPIFMDAM-MRXNPFEDSA-N -1 0 337.379 3.327 20 30 EGEDRM CC(C)N(CC(=O)[O-])C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000736454977 575966201 /nfs/dbraw/zinc/96/62/01/575966201.db2.gz NGIJGXKNSYVTKD-UHFFFAOYSA-N -1 0 338.363 3.286 20 30 EGEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000736486017 575971309 /nfs/dbraw/zinc/97/13/09/575971309.db2.gz IQPLUKUEHGPRTQ-UONOGXRCSA-N -1 0 330.384 3.175 20 30 EGEDRM C[C@H](CN(C)C(=O)c1cccc(Nc2ccc(C#N)cc2)c1)C(=O)[O-] ZINC000736575738 575986190 /nfs/dbraw/zinc/98/61/90/575986190.db2.gz PSDSVBXCMRKCRQ-CYBMUJFWSA-N -1 0 337.379 3.095 20 30 EGEDRM C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000736700927 576009413 /nfs/dbraw/zinc/00/94/13/576009413.db2.gz PIVZIKYXBDOWCD-SNVBAGLBSA-N -1 0 343.314 3.193 20 30 EGEDRM CN(CCCC(=O)[C@H](C#N)c1nc2cc(F)ccc2s1)C(=O)[O-] ZINC000737415507 576224388 /nfs/dbraw/zinc/22/43/88/576224388.db2.gz PCEJASNMIIRZCY-JTQLQIEISA-N -1 0 335.360 3.002 20 30 EGEDRM Cc1cc(/C=C/C(=O)c2cncc(F)c2)cc(C)c1OCC(=O)[O-] ZINC000738378187 576319833 /nfs/dbraw/zinc/31/98/33/576319833.db2.gz BUBIYXYQNYAUDF-ONEGZZNKSA-N -1 0 329.327 3.197 20 30 EGEDRM Cc1sc(NC(=O)Cc2ccc(OCC#N)cc2)c(C(=O)[O-])c1C ZINC000738399710 576321619 /nfs/dbraw/zinc/32/16/19/576321619.db2.gz WQAKOSOUGORNFL-UHFFFAOYSA-N -1 0 344.392 3.147 20 30 EGEDRM Cc1oc(CN=Nc2nc(-c3ccc(Cl)cc3)no2)cc1C(=O)[O-] ZINC000738969263 576371364 /nfs/dbraw/zinc/37/13/64/576371364.db2.gz KYBJVQJSINCBQZ-UHFFFAOYSA-N -1 0 346.730 3.436 20 30 EGEDRM N#CCn1c(C(=O)OCc2cccc(C(=O)[O-])c2)cc2ccccc21 ZINC000739094027 576377630 /nfs/dbraw/zinc/37/76/30/576377630.db2.gz ZTJNBEKKXBANMK-UHFFFAOYSA-N -1 0 334.331 3.220 20 30 EGEDRM N#Cc1ccc([C@@H](C(=O)[O-])N2CCc3[nH]c4ccccc4c3C2)cc1 ZINC000739104955 576378001 /nfs/dbraw/zinc/37/80/01/576378001.db2.gz IJKRZMIKAHPMLN-IBGZPJMESA-N -1 0 331.375 3.224 20 30 EGEDRM N#Cc1ccc([C@@H](OC(=O)c2cc3c(s2)CCC3)C(=O)[O-])cc1 ZINC000739114483 576378668 /nfs/dbraw/zinc/37/86/68/576378668.db2.gz HACAEPIKGWZGPO-OAHLLOKOSA-N -1 0 327.361 3.091 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)c2sccc2C2CC2)C(=O)[O-])cc1 ZINC000739117323 576378951 /nfs/dbraw/zinc/37/89/51/576378951.db2.gz LHIKLSSFEXNOHV-AWEZNQCLSA-N -1 0 327.361 3.480 20 30 EGEDRM N#Cc1cccc(CNC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)c1 ZINC000739133799 576379373 /nfs/dbraw/zinc/37/93/73/576379373.db2.gz PGPRECVCKKKOOK-UHFFFAOYSA-N -1 0 328.303 3.109 20 30 EGEDRM N#Cc1ccsc1C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000739143133 576379643 /nfs/dbraw/zinc/37/96/43/576379643.db2.gz XDFGNVIPBAVSBL-UHFFFAOYSA-N -1 0 338.291 3.172 20 30 EGEDRM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)c3cc[nH]c3)c2)c1 ZINC000740212830 576566073 /nfs/dbraw/zinc/56/60/73/576566073.db2.gz RVEGLHNCJYISHH-UHFFFAOYSA-N -1 0 330.343 3.365 20 30 EGEDRM C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cc(C)ccc1F ZINC000741657553 576708994 /nfs/dbraw/zinc/70/89/94/576708994.db2.gz FKSWJWBQQXKJSN-UHFFFAOYSA-N -1 0 337.347 3.086 20 30 EGEDRM CC(C)(C)OC(=O)NC[C@H]1CCCC1N=Nc1cccc(C(=O)[O-])c1 ZINC000741758761 576717810 /nfs/dbraw/zinc/71/78/10/576717810.db2.gz BIJBECWCPJAAKT-CYBMUJFWSA-N -1 0 347.415 3.478 20 30 EGEDRM CC(C)(C)OC(=O)NC[C@@H]1CCCC1N=Nc1ccccc1C(=O)[O-] ZINC000741760139 576718162 /nfs/dbraw/zinc/71/81/62/576718162.db2.gz SVFJTSHINDYYCG-LBPRGKRZSA-N -1 0 347.415 3.478 20 30 EGEDRM Cc1cc(/C=C\C(=O)c2ccc(C(=O)[O-])s2)ccc1-n1cncn1 ZINC000742431901 576783889 /nfs/dbraw/zinc/78/38/89/576783889.db2.gz OETFQNRAOUKJNX-HYXAFXHYSA-N -1 0 339.376 3.232 20 30 EGEDRM O=C([O-])CCOc1ccc(/C=C/C(=O)c2ccc3c(c2)COC3)cc1 ZINC000742436001 576784078 /nfs/dbraw/zinc/78/40/78/576784078.db2.gz DBXFRBUEYUBWFB-FPYGCLRLSA-N -1 0 338.359 3.466 20 30 EGEDRM CCCCCCCCOCC(=O)[N-]S(=O)(=O)c1ccc(C)s1 ZINC000744008947 576818843 /nfs/dbraw/zinc/81/88/43/576818843.db2.gz JWLRXIYAGBNNBT-UHFFFAOYSA-N -1 0 347.502 3.239 20 30 EGEDRM C[C@@H](Oc1cccc(C(=O)/C=C\c2csc([N+](=O)[O-])c2)c1)C(=O)[O-] ZINC000745020057 576838624 /nfs/dbraw/zinc/83/86/24/576838624.db2.gz AWHDSDFODLQMSA-WWQCOOJYSA-N -1 0 347.348 3.404 20 30 EGEDRM C[C@@H](Oc1cccc(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)c1)C(=O)[O-] ZINC000745020430 576838696 /nfs/dbraw/zinc/83/86/96/576838696.db2.gz FDPCFWJYFUAWHM-MQGYJPLLSA-N -1 0 341.319 3.343 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)OCc1coc(-c2ccc(Cl)cc2)n1 ZINC000819874532 597614224 /nfs/dbraw/zinc/61/42/24/597614224.db2.gz MBMVWDHNIAROCA-INIZCTEOSA-N -1 0 348.742 3.043 20 30 EGEDRM Cc1ccccc1C1N=NC(=S)N1N=Cc1cccc(C(=O)[O-])c1 ZINC000814750518 598201140 /nfs/dbraw/zinc/20/11/40/598201140.db2.gz PKDYPQQGTALWDZ-UHFFFAOYSA-N -1 0 338.392 3.123 20 30 EGEDRM CC(C)Cn1ccc2cc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])ccc21 ZINC000819992878 598225542 /nfs/dbraw/zinc/22/55/42/598225542.db2.gz IGLJJILYYLXPQO-GOSISDBHSA-N -1 0 327.384 3.240 20 30 EGEDRM CC(C)c1nc2ccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])cc2s1 ZINC000820062040 598225593 /nfs/dbraw/zinc/22/55/93/598225593.db2.gz XWPPGNNBJLNDNX-INIZCTEOSA-N -1 0 331.397 3.363 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000819834429 598227428 /nfs/dbraw/zinc/22/74/28/598227428.db2.gz NDDWBVSPVKVIDV-XHDPSFHLSA-N -1 0 341.194 3.101 20 30 EGEDRM C=CCCCCCN(C)S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000825671317 600785169 /nfs/dbraw/zinc/78/51/69/600785169.db2.gz LXRJEIYHKJEAMG-UHFFFAOYSA-N -1 0 325.430 3.060 20 30 EGEDRM CC(C)CN(C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)c1ccc(C#N)cc1 ZINC000826864896 600914053 /nfs/dbraw/zinc/91/40/53/600914053.db2.gz AXHVBQQOHFKIHG-CVEARBPZSA-N -1 0 328.412 3.438 20 30 EGEDRM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000826881095 600914940 /nfs/dbraw/zinc/91/49/40/600914940.db2.gz DPLGUKLGHVSSGP-MSOLQXFVSA-N -1 0 342.439 3.434 20 30 EGEDRM N#Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])cc1F ZINC000833076966 600962076 /nfs/dbraw/zinc/96/20/76/600962076.db2.gz UYFMTDBKLNQQBF-CHWSQXEVSA-N -1 0 340.310 3.149 20 30 EGEDRM C=CCOCCCC(=O)Nc1ccc(Br)cc1C(=O)[O-] ZINC000825698359 600964990 /nfs/dbraw/zinc/96/49/90/600964990.db2.gz GJEBFKYCPVAMLF-UHFFFAOYSA-N -1 0 342.189 3.069 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)s1 ZINC000833072393 601284455 /nfs/dbraw/zinc/28/44/55/601284455.db2.gz SRFCYNIBIFUVRV-UHFFFAOYSA-N -1 0 338.291 3.172 20 30 EGEDRM CCOc1cc(N[C@@H](C(=O)[O-])c2cccc(C#N)c2)ccc1OC ZINC000830050001 601301789 /nfs/dbraw/zinc/30/17/89/601301789.db2.gz UWVZGYQDJNKTCS-QGZVFWFLSA-N -1 0 326.352 3.203 20 30 EGEDRM COC(=O)[C@H](Nc1ccc(F)c(NC(=O)[O-])c1)c1cccc(C#N)c1 ZINC000831083771 601303992 /nfs/dbraw/zinc/30/39/92/601303992.db2.gz BVNBTRLPHMRXFM-OAHLLOKOSA-N -1 0 343.314 3.113 20 30 EGEDRM N#Cc1cccc([C@H](Nc2ccn(Cc3ccccc3)n2)C(=O)[O-])c1 ZINC000833076260 601305826 /nfs/dbraw/zinc/30/58/26/601305826.db2.gz STSCDVDAYXRUEY-SFHVURJKSA-N -1 0 332.363 3.041 20 30 EGEDRM Cc1csc([C@@H]2CCCN2[C@H](C(=O)[O-])c2cccc(C#N)c2)n1 ZINC000832989080 601313162 /nfs/dbraw/zinc/31/31/62/601313162.db2.gz GYIBRGQXXDHKOX-GJZGRUSLSA-N -1 0 327.409 3.286 20 30 EGEDRM C[C@@H](Sc1cccc(C#N)c1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000827915217 601318556 /nfs/dbraw/zinc/31/85/56/601318556.db2.gz MHVWCNAFQMISJO-GFCCVEGCSA-N -1 0 340.404 3.053 20 30 EGEDRM O=C([O-])c1ccc(/C=C2\COc3c(Br)cccc3C2=O)[nH]1 ZINC000833311953 601331968 /nfs/dbraw/zinc/33/19/68/601331968.db2.gz FSMPXMIPNNMPOM-SOFGYWHQSA-N -1 0 348.152 3.134 20 30 EGEDRM Cc1nc2ccccc2cc1C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000833006655 601346169 /nfs/dbraw/zinc/34/61/69/601346169.db2.gz QSSVDJMNHIYNHR-SFHVURJKSA-N -1 0 346.342 3.398 20 30 EGEDRM N#Cc1cccc([C@H](OC(=O)c2ccc3ccccc3c2O)C(=O)[O-])c1 ZINC000833077187 601346918 /nfs/dbraw/zinc/34/69/18/601346918.db2.gz MJTVWUTVGRINND-SFHVURJKSA-N -1 0 347.326 3.400 20 30 EGEDRM Cc1cccc2c(CC(=O)O[C@@H](C(=O)[O-])c3cccc(C#N)c3)c[nH]c21 ZINC000832975544 601354714 /nfs/dbraw/zinc/35/47/14/601354714.db2.gz CGLJPARIXZJGFQ-LJQANCHMSA-N -1 0 348.358 3.260 20 30 EGEDRM N#Cc1c[nH]c(C(=O)O[C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)c1 ZINC000833067347 601430791 /nfs/dbraw/zinc/43/07/91/601430791.db2.gz ASHLBRDHBBDKOI-GFCCVEGCSA-N -1 0 339.134 3.176 20 30 EGEDRM C=CCCCC(=O)N[C@](C)(C(=O)[O-])c1cccc(Br)c1 ZINC000825671591 601450587 /nfs/dbraw/zinc/45/05/87/601450587.db2.gz VZRSYVGDOGPGJL-HNNXBMFYSA-N -1 0 340.217 3.221 20 30 EGEDRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc(C#N)cs2)cc1 ZINC000832777402 601553074 /nfs/dbraw/zinc/55/30/74/601553074.db2.gz LEOJXYWXJFMEPZ-CYBMUJFWSA-N -1 0 346.433 3.287 20 30 EGEDRM Cc1ccc(C(=O)[O-])cc1NC(=O)N(CCC#N)Cc1ccccn1 ZINC000832915146 601604061 /nfs/dbraw/zinc/60/40/61/601604061.db2.gz FMJGNJTVQJPDNG-UHFFFAOYSA-N -1 0 338.367 3.036 20 30 EGEDRM C[C@@H](C(=O)[O-])[C@H](NC(=O)Nc1ccc(F)c(C#N)c1)c1ccccc1 ZINC000826039746 601623571 /nfs/dbraw/zinc/62/35/71/601623571.db2.gz YLKGPIRAHPZWPJ-BZNIZROVSA-N -1 0 341.342 3.281 20 30 EGEDRM CC(=O)Nc1ccc(C(C)=NOCc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000825898255 601630015 /nfs/dbraw/zinc/63/00/15/601630015.db2.gz KVUOIPUQFWOYEZ-UHFFFAOYSA-N -1 0 344.342 3.423 20 30 EGEDRM CCN(CC(=O)[O-])C(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1 ZINC000829628557 601669677 /nfs/dbraw/zinc/66/96/77/601669677.db2.gz IVIGRQJXKUJZKT-UHFFFAOYSA-N -1 0 338.363 3.206 20 30 EGEDRM C[C@@H]1CN(C(=O)Nc2ccccc2C#Cc2ccccc2)C[C@@H]1C(=O)[O-] ZINC000828378149 601796153 /nfs/dbraw/zinc/79/61/53/601796153.db2.gz OSTWEJWLKHSWTM-QAPCUYQASA-N -1 0 348.402 3.271 20 30 EGEDRM N#Cc1ccc(OCC(=O)Nc2scc(C3CC3)c2C(=O)[O-])cc1 ZINC000833072430 601809428 /nfs/dbraw/zinc/80/94/28/601809428.db2.gz YQQRHZODEGAMKS-UHFFFAOYSA-N -1 0 342.376 3.213 20 30 EGEDRM C=C(C)CN(CC)C(=O)CSCc1ccc(C(=O)[O-])c(F)c1 ZINC000825642333 601813601 /nfs/dbraw/zinc/81/36/01/601813601.db2.gz PQRYVODMDCLMQF-UHFFFAOYSA-N -1 0 325.405 3.182 20 30 EGEDRM N#Cc1cc(C(F)(F)F)ccc1C(=O)OCc1ccc(C(=O)[O-])o1 ZINC000833069239 601848640 /nfs/dbraw/zinc/84/86/40/601848640.db2.gz YLOYALGDRPPZAL-UHFFFAOYSA-N -1 0 339.225 3.225 20 30 EGEDRM COc1cc(F)c(C(=O)/C=C/c2ccc(C(=O)[O-])cc2)cc1OC ZINC000760271118 602098667 /nfs/dbraw/zinc/09/86/67/602098667.db2.gz YMTOTCLXQXSYCQ-VMPITWQZSA-N -1 0 330.311 3.437 20 30 EGEDRM C[C@@H](Oc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)[O-] ZINC000794690118 602104982 /nfs/dbraw/zinc/10/49/82/602104982.db2.gz ICBOBNBNVLPJAS-OFFHKIPUSA-N -1 0 341.319 3.343 20 30 EGEDRM Cc1cc(O)cc2c1C(=O)/C(=C\c1ccc(O[C@H](C)C(=O)[O-])cc1)O2 ZINC000832900007 602110140 /nfs/dbraw/zinc/11/01/40/602110140.db2.gz WYDCNCDFLGXTFY-FNQVVVRFSA-N -1 0 340.331 3.169 20 30 EGEDRM Cc1cc(C(=O)/C=C/c2ccc(O[C@@H](C)C(=O)[O-])cc2)ccc1O ZINC000794706635 602110695 /nfs/dbraw/zinc/11/06/95/602110695.db2.gz GZUMIRFDAMGQBS-NEXMIYJRSA-N -1 0 326.348 3.449 20 30 EGEDRM C=CCC(CC=C)C(=O)N1CCN(c2ccc(C(=O)[O-])cc2)C[C@H]1C ZINC000825659789 602136694 /nfs/dbraw/zinc/13/66/94/602136694.db2.gz FPNIRGVHVJFABB-OAHLLOKOSA-N -1 0 342.439 3.190 20 30 EGEDRM C=CCC(CC=C)C(=O)N1CCN(c2ccc(C(=O)[O-])cc2)C[C@@H]1C ZINC000825659788 602136711 /nfs/dbraw/zinc/13/67/11/602136711.db2.gz FPNIRGVHVJFABB-HNNXBMFYSA-N -1 0 342.439 3.190 20 30 EGEDRM CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000829496505 602358302 /nfs/dbraw/zinc/35/83/02/602358302.db2.gz FGRATZPXGZOYSG-UHFFFAOYSA-N -1 0 340.383 3.039 20 30 EGEDRM CC(C)CCN(CCC#N)c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000826848875 604463291 /nfs/dbraw/zinc/46/32/91/604463291.db2.gz IRCLOJDIYMFIQP-ALCCZGGFSA-N -1 0 331.372 3.459 20 30 EGEDRM CC(C)Oc1ccc(NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)cc1C#N ZINC000827054112 604554968 /nfs/dbraw/zinc/55/49/68/604554968.db2.gz AZQQPELJDCAUQI-QWHCGFSZSA-N -1 0 330.384 3.175 20 30 EGEDRM CC(C)(C(=O)OCc1cccc(C(=O)[O-])c1C#N)c1cccs1 ZINC000833419372 604582500 /nfs/dbraw/zinc/58/25/00/604582500.db2.gz SEUPVLVERHFWMM-UHFFFAOYSA-N -1 0 329.377 3.339 20 30 EGEDRM C#CC[C@@H](NC(=O)N1Cc2ccc(C(=O)[O-])cc2C1)c1ccccc1 ZINC000833360152 604644628 /nfs/dbraw/zinc/64/46/28/604644628.db2.gz FCXXWBYBHLTSSS-GOSISDBHSA-N -1 0 334.375 3.175 20 30 EGEDRM C#CC[C@@H](NC(=O)Nc1ccc(C(=O)[O-])cc1F)c1ccccc1 ZINC000833361258 604658427 /nfs/dbraw/zinc/65/84/27/604658427.db2.gz ZLKRTVVNMBFSOX-OAHLLOKOSA-N -1 0 326.327 3.410 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)Cc2ccc(F)cc2Cl)C(=O)[O-])cc1 ZINC000833073186 604692225 /nfs/dbraw/zinc/69/22/25/604692225.db2.gz WYSCXZKJWFPZOX-INIZCTEOSA-N -1 0 347.729 3.262 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)[C@H]2CCCc3sccc32)C(=O)[O-])cc1 ZINC000833071825 604887502 /nfs/dbraw/zinc/88/75/02/604887502.db2.gz JCOWJPVEOXNSKO-HOCLYGCPSA-N -1 0 341.388 3.409 20 30 EGEDRM C=CC1CCN(C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)CC1 ZINC000825660098 604909869 /nfs/dbraw/zinc/90/98/69/604909869.db2.gz SLSXVPIEZALQEC-UHFFFAOYSA-N -1 0 338.791 3.233 20 30 EGEDRM C=CCOc1cccnc1C(=O)OCc1cc(C(=O)[O-])sc1C ZINC000833378271 605077100 /nfs/dbraw/zinc/07/71/00/605077100.db2.gz CHTPQEAVOYLHBK-UHFFFAOYSA-N -1 0 333.365 3.072 20 30 EGEDRM Cc1sc(NC(=O)Cc2ccccc2CC#N)c(C(=O)[O-])c1C ZINC000833758232 605202844 /nfs/dbraw/zinc/20/28/44/605202844.db2.gz SLIFGYFVLAQSSC-UHFFFAOYSA-N -1 0 328.393 3.310 20 30 EGEDRM C[C@H](OC(=O)c1ccc(C2(C#N)CC2)cc1)c1ccc(C(=O)[O-])o1 ZINC000833530774 605222654 /nfs/dbraw/zinc/22/26/54/605222654.db2.gz FFUSYEQAPAWULV-NSHDSACASA-N -1 0 325.320 3.451 20 30 EGEDRM C[C@@H](Oc1ccc(C#N)cc1)C(=O)OCc1ccc(NC(=O)[O-])cc1 ZINC000833537585 605304997 /nfs/dbraw/zinc/30/49/97/605304997.db2.gz MBXWHVWGZCWJMP-GFCCVEGCSA-N -1 0 340.335 3.159 20 30 EGEDRM CC(C)Oc1ccc(NCc2ccc(OCC(=O)[O-])cc2)cc1C#N ZINC000833506633 605310802 /nfs/dbraw/zinc/31/08/02/605310802.db2.gz IALYZMHZHAKAST-UHFFFAOYSA-N -1 0 340.379 3.421 20 30 EGEDRM C[C@@]1(C#N)CCCN([C@H](C(=O)[O-])c2cccc(Br)c2)C1 ZINC000833551049 605416329 /nfs/dbraw/zinc/41/63/29/605416329.db2.gz GCXLZPZETSQZOO-ZFWWWQNUSA-N -1 0 337.217 3.200 20 30 EGEDRM COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)[O-])cc2)c(F)c1 ZINC000006581319 1291048410 /nfs/dbraw/zinc/04/84/10/1291048410.db2.gz UUDLVSZFBRQLDZ-RUDMXATFSA-N -1 0 330.311 3.194 20 30 EGEDRM COc1ccc(OC)c(C(=O)/C=C/c2ccc(OCC(=O)[O-])cc2)c1 ZINC000007744874 1291087361 /nfs/dbraw/zinc/08/73/61/1291087361.db2.gz FBLVZMXUZJQMHM-WEVVVXLNSA-N -1 0 342.347 3.063 20 30 EGEDRM COc1cc(/C=C\C(=O)c2cc(F)ccc2[O-])cc(OC)c1OC ZINC000033374248 1291385816 /nfs/dbraw/zinc/38/58/16/1291385816.db2.gz CVSVZUJZPUHVQG-XQRVVYSFSA-N -1 0 332.327 3.453 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2)cc1Cl ZINC000037387546 1291399573 /nfs/dbraw/zinc/39/95/73/1291399573.db2.gz NBQJQBNROVKIIH-UHFFFAOYSA-N -1 0 328.180 3.061 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)COc2ccc(C)cc2C)cc1 ZINC000042235530 1291437012 /nfs/dbraw/zinc/43/70/12/1291437012.db2.gz NEHXKHUIWKWWEX-UHFFFAOYSA-N -1 0 333.409 3.336 20 30 EGEDRM O=C([N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC=CCC1 ZINC000042240943 1291437352 /nfs/dbraw/zinc/43/73/52/1291437352.db2.gz GUQVXYXYMBXKNK-VIFPVBQESA-N -1 0 344.776 3.250 20 30 EGEDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)Cc1c[nH]c2ccccc12 ZINC000042242477 1291437531 /nfs/dbraw/zinc/43/75/31/1291437531.db2.gz TVRMNNMGNCPXQH-UHFFFAOYSA-N -1 0 328.393 3.364 20 30 EGEDRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)CCc1ccc(C)cc1C ZINC000042290898 1291438961 /nfs/dbraw/zinc/43/89/61/1291438961.db2.gz JJTSQNGMYUXSLX-UHFFFAOYSA-N -1 0 336.413 3.186 20 30 EGEDRM O=C(C=Cc1cccs1)[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC000045100173 1291505150 /nfs/dbraw/zinc/50/51/50/1291505150.db2.gz QGQNIWCWIXCTOP-BQYQJAHWSA-N -1 0 325.386 3.387 20 30 EGEDRM O=C([N-]S(=O)(=O)c1ccc(Cl)s1)c1ccccc1[N+](=O)[O-] ZINC000046928657 1291558089 /nfs/dbraw/zinc/55/80/89/1291558089.db2.gz MBKKKFBBZDQYKR-UHFFFAOYSA-N -1 0 346.773 3.003 20 30 EGEDRM CCCc1nc(C)c(C(=O)[N-]S(=O)(=O)c2cccs2)s1 ZINC000048450200 1291605909 /nfs/dbraw/zinc/60/59/09/1291605909.db2.gz YYJKDXOZBJXEKW-UHFFFAOYSA-N -1 0 330.456 3.159 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2cc(F)ccc2F)c(C)c1 ZINC000048475508 1291606988 /nfs/dbraw/zinc/60/69/88/1291606988.db2.gz WKGQPMMRSSBKCT-UHFFFAOYSA-N -1 0 325.336 3.275 20 30 EGEDRM COc1ccc(OC)c(C(=O)[N-]S(=O)(=O)C=Cc2ccccc2)c1 ZINC000048530323 1291610084 /nfs/dbraw/zinc/61/00/84/1291610084.db2.gz QVWQRGRHJCAHME-KHPPLWFESA-N -1 0 347.392 3.009 20 30 EGEDRM COc1ccccc1CCC(=O)[N-]S(=O)(=O)c1ccccc1F ZINC000048587703 1291612294 /nfs/dbraw/zinc/61/22/94/1291612294.db2.gz PAECKIPBKZJPPP-UHFFFAOYSA-N -1 0 337.372 3.112 20 30 EGEDRM O=C(CCCc1c[nH]c2ccccc12)[N-]S(=O)(=O)N1CCCCC1 ZINC000052795838 1291712320 /nfs/dbraw/zinc/71/23/20/1291712320.db2.gz DTJOSZUYDGGCGO-UHFFFAOYSA-N -1 0 349.456 3.178 20 30 EGEDRM O=C(CC1CCCC1)[N-]S(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000058115844 1291879406 /nfs/dbraw/zinc/87/94/06/1291879406.db2.gz XWWWEWKTJMXAGX-UHFFFAOYSA-N -1 0 333.413 3.098 20 30 EGEDRM Cc1nn(C)c(C)c1[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC000060765597 1291940688 /nfs/dbraw/zinc/94/06/88/1291940688.db2.gz VLGPFSRYXXJYDS-LBPRGKRZSA-N -1 0 349.456 3.103 20 30 EGEDRM Cc1cc(C)c(C)c(S(=O)(=O)[N-]C(=O)[C@H](C)OCC2CC2)c1C ZINC000064667194 1292062109 /nfs/dbraw/zinc/06/21/09/1292062109.db2.gz SNSXBFFHRIJCNL-AWEZNQCLSA-N -1 0 339.457 3.381 20 30 EGEDRM CC(C)c1ccsc1C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000066003952 1292103634 /nfs/dbraw/zinc/10/36/34/1292103634.db2.gz DSDIWKVLCAMYFQ-UHFFFAOYSA-N -1 0 334.422 3.437 20 30 EGEDRM COc1ccccc1C(C)=CC(=O)[N-]S(=O)(=O)c1ccccc1 ZINC000067599747 1292163445 /nfs/dbraw/zinc/16/34/45/1292163445.db2.gz NBIATKIRSOULIL-OUKQBFOZSA-N -1 0 331.393 3.444 20 30 EGEDRM CCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000069641928 1292247123 /nfs/dbraw/zinc/24/71/23/1292247123.db2.gz UYKLKDWOQURBNG-YFKPBYRVSA-N -1 0 332.230 3.125 20 30 EGEDRM COc1ccc(S(=O)(=O)[N-]C(=O)c2coc3ccccc23)cc1 ZINC000073087362 1292305436 /nfs/dbraw/zinc/30/54/36/1292305436.db2.gz MPSSJUHVKSMEGS-UHFFFAOYSA-N -1 0 331.349 3.135 20 30 EGEDRM N#CCOc1ccc(CNC(=O)c2ccc3[n-]c(=S)oc3c2)cc1 ZINC000073312179 1292314853 /nfs/dbraw/zinc/31/48/53/1292314853.db2.gz POCPRIBFSAYZDH-UHFFFAOYSA-N -1 0 339.376 3.323 20 30 EGEDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)c1cccc2c1ccn2C ZINC000077940253 1292491156 /nfs/dbraw/zinc/49/11/56/1292491156.db2.gz DITPSZJALINYEW-UHFFFAOYSA-N -1 0 328.393 3.180 20 30 EGEDRM Cn1ccc2c1cccc2C(=O)[N-]S(=O)(=O)C=Cc1ccccc1 ZINC000077940429 1292491373 /nfs/dbraw/zinc/49/13/73/1292491373.db2.gz FNEZSJYBCRABDA-ACCUITESSA-N -1 0 340.404 3.484 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)C2=Cc3ccccc3OC2)cc1 ZINC000077942137 1292491545 /nfs/dbraw/zinc/49/15/45/1292491545.db2.gz OTKOLVSSRODMSM-UHFFFAOYSA-N -1 0 329.377 3.116 20 30 EGEDRM COc1csc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000080250723 1292592260 /nfs/dbraw/zinc/59/22/60/1292592260.db2.gz MKVJANLMFPRDGR-UHFFFAOYSA-N -1 0 337.831 3.165 20 30 EGEDRM O=C([N-]S(=O)(=O)Cc1ccccc1Cl)c1cc(F)ccc1F ZINC000083791633 1292690470 /nfs/dbraw/zinc/69/04/70/1292690470.db2.gz KTHPHTIPENUUEO-UHFFFAOYSA-N -1 0 345.754 3.453 20 30 EGEDRM CCCCN(CCCC)S(=O)(=O)[N-]C(=O)c1cc(C#N)cs1 ZINC000083940437 1292693276 /nfs/dbraw/zinc/69/32/76/1292693276.db2.gz JFBSRTDIHJMBDK-UHFFFAOYSA-N -1 0 343.474 3.071 20 30 EGEDRM COc1ccc2oc(C)c(C(=O)[N-]S(=O)(=O)C3CCCC3)c2c1 ZINC000086055303 1292727360 /nfs/dbraw/zinc/72/73/60/1292727360.db2.gz RNQDLKFMJXCXMA-UHFFFAOYSA-N -1 0 337.397 3.327 20 30 EGEDRM CC(C)C[C@@H](C)OCCC(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000088800148 1292756133 /nfs/dbraw/zinc/75/61/33/1292756133.db2.gz BDJVJEBTRWGVKP-CYBMUJFWSA-N -1 0 338.429 3.045 20 30 EGEDRM CC[C@H](C)n1ncc(C(=O)[N-]S(=O)(=O)CCC(C)C)c1C1CC1 ZINC000089970403 1292782555 /nfs/dbraw/zinc/78/25/55/1292782555.db2.gz HBCJHQRKIYYZEF-LBPRGKRZSA-N -1 0 341.477 3.412 20 30 EGEDRM CCCc1nc(C)c(C([O-])=C(C#N)C(=O)NC2CCCCC2)s1 ZINC000105262311 1293030563 /nfs/dbraw/zinc/03/05/63/1293030563.db2.gz PNPYIOZKNQJHQG-CYBMUJFWSA-N -1 0 333.457 3.175 20 30 EGEDRM CCCCCCCCC(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000112160424 1293120655 /nfs/dbraw/zinc/12/06/55/1293120655.db2.gz FCHYUMVVMKUHBO-UHFFFAOYSA-N -1 0 348.446 3.212 20 30 EGEDRM N#CC(=C([O-])C=CC1CCOCC1)c1nc(-c2ccncc2)cs1 ZINC000114619668 1293173575 /nfs/dbraw/zinc/17/35/75/1293173575.db2.gz UNGOFDGHNQLFKI-YLSAJCSVSA-N -1 0 339.420 3.364 20 30 EGEDRM CC(CCc1ccc(OCCC(=O)[O-])cc1)N=N[C@H](C)C(F)(F)F ZINC000834998691 1293184896 /nfs/dbraw/zinc/18/48/96/1293184896.db2.gz KOBDYLSNJGXPGA-GFCCVEGCSA-N -1 0 346.349 3.389 20 30 EGEDRM CC(C)(C)CC(=O)N1CCC(N=Nc2ccc(C(=O)[O-])c(F)c2)CC1 ZINC000835009934 1293186532 /nfs/dbraw/zinc/18/65/32/1293186532.db2.gz ISAUVUNXZGAEKW-UHFFFAOYSA-N -1 0 349.406 3.350 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cc2cccnc2s1 ZINC000835056088 1293194717 /nfs/dbraw/zinc/19/47/17/1293194717.db2.gz BWKFJCOUEBLLAT-CYBMUJFWSA-N -1 0 329.425 3.315 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cc2ccncc2s1 ZINC000835056105 1293194970 /nfs/dbraw/zinc/19/49/70/1293194970.db2.gz CGKQWPVRNNBMBF-ZDUSSCGKSA-N -1 0 329.425 3.315 20 30 EGEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2ccc(C)c3c2CCC3)c1 ZINC000835341682 1293268362 /nfs/dbraw/zinc/26/83/62/1293268362.db2.gz WARGTSAMUIIMEO-FQEVSTJZSA-N -1 0 346.430 3.431 20 30 EGEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1csc(-c2cccs2)n1 ZINC000119858482 1293291468 /nfs/dbraw/zinc/29/14/68/1293291468.db2.gz SCTVDUAFIBAZSX-NSHDSACASA-N -1 0 345.449 3.253 20 30 EGEDRM Cc1c2cc(Cl)ccc2oc1C([O-])=C(C#N)C(=O)c1nccn1C ZINC000122879025 1293427667 /nfs/dbraw/zinc/42/76/67/1293427667.db2.gz RCFZOYSIKQITNS-GFCCVEGCSA-N -1 0 341.754 3.334 20 30 EGEDRM N#CC(=C([O-])C1=CCCCCC1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000123407799 1293442752 /nfs/dbraw/zinc/44/27/52/1293442752.db2.gz JDSKUMSKHOTBLP-HNNXBMFYSA-N -1 0 348.410 3.264 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2cc(N(C)C)ccc2C#N)c(C)c1 ZINC000123988670 1293462903 /nfs/dbraw/zinc/46/29/03/1293462903.db2.gz QZXDMCYFLIGZFH-UHFFFAOYSA-N -1 0 329.425 3.042 20 30 EGEDRM CC(C)OCCCNC(=O)C(C#N)=C([O-])c1cc2ccccc2s1 ZINC000125476597 1293508829 /nfs/dbraw/zinc/50/88/29/1293508829.db2.gz ZPSCJIKJGNWYRR-AWEZNQCLSA-N -1 0 344.436 3.155 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(-n2cccc2)cc1 ZINC000125627219 1293512446 /nfs/dbraw/zinc/51/24/46/1293512446.db2.gz ZQMVOBKVYPYRIM-GOSISDBHSA-N -1 0 337.423 3.496 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])c(/C=N/Cc2cccc(Cn3cccn3)c2)c1 ZINC000126996987 1293549649 /nfs/dbraw/zinc/54/96/49/1293549649.db2.gz CVWPOIAKLWEKDR-XDHOZWIPSA-N -1 0 336.351 3.164 20 30 EGEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1cccc(Br)c1 ZINC000127352763 1293560683 /nfs/dbraw/zinc/56/06/83/1293560683.db2.gz QRFFRKMBVANJSO-CQSZACIVSA-N -1 0 349.228 3.220 20 30 EGEDRM COc1ccc(OC)c(C(=O)/C=C/c2ccc([N+](=O)[O-])c([O-])c2)c1 ZINC000129512609 1293626440 /nfs/dbraw/zinc/62/64/40/1293626440.db2.gz PSXMBNQIYQAUDX-QPJJXVBHSA-N -1 0 329.308 3.214 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)C(=O)NC(C)C)c(C)n1-c1cccc(C)c1 ZINC000130567298 1293661501 /nfs/dbraw/zinc/66/15/01/1293661501.db2.gz SCXPFJFPFFDUTJ-SFHVURJKSA-N -1 0 337.423 3.250 20 30 EGEDRM Cc1cccc(-c2cncc(C([O-])=C(C#N)C(=O)N3CCCC3)c2)c1 ZINC000131953942 1293704452 /nfs/dbraw/zinc/70/44/52/1293704452.db2.gz SJJFQOHTZBJBAX-GOSISDBHSA-N -1 0 333.391 3.002 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(Cl)c(OC)c1 ZINC000136408580 1293815033 /nfs/dbraw/zinc/81/50/33/1293815033.db2.gz WKILFQSSEQTNHV-ZDUSSCGKSA-N -1 0 336.819 3.368 20 30 EGEDRM C=CCC(CC=C)C(=O)[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000151089396 1293907226 /nfs/dbraw/zinc/90/72/26/1293907226.db2.gz QLOAEGJMDZUINP-UHFFFAOYSA-N -1 0 347.358 3.279 20 30 EGEDRM Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000153017629 1293996320 /nfs/dbraw/zinc/99/63/20/1293996320.db2.gz GIQYBMUYXUXEDS-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)C(=O)NC2CCCC2)ccc1Br ZINC000156396942 1294142638 /nfs/dbraw/zinc/14/26/38/1294142638.db2.gz AIPBTGCTHNTGNH-CYBMUJFWSA-N -1 0 349.228 3.139 20 30 EGEDRM O=C(/C=C/c1ccc(O)c(Br)c1)c1ccc(O)cc1[O-] ZINC000156629684 1294152212 /nfs/dbraw/zinc/15/22/12/1294152212.db2.gz YOXIGWQDHRYVTE-ORCRQEGFSA-N -1 0 335.153 3.462 20 30 EGEDRM CC(C)Cc1ccc([C@H](C)C(=O)C(C#N)=C([O-])c2nccn2C)cc1 ZINC000157228963 1294172169 /nfs/dbraw/zinc/17/21/69/1294172169.db2.gz QODGDAZOLAMGMD-YOEHRIQHSA-N -1 0 337.423 3.314 20 30 EGEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1cccc(C(F)F)c1 ZINC000171566444 1294411655 /nfs/dbraw/zinc/41/16/55/1294411655.db2.gz OLBBYLZMUHQQAB-OAHLLOKOSA-N -1 0 328.318 3.263 20 30 EGEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1cccc(C(F)F)c1 ZINC000171566442 1294411758 /nfs/dbraw/zinc/41/17/58/1294411758.db2.gz OLBBYLZMUHQQAB-HNNXBMFYSA-N -1 0 328.318 3.263 20 30 EGEDRM CC(=CC(=O)C(C#N)=C([O-])c1nccn1C)c1cccc(Cl)c1 ZINC000178475989 1294736190 /nfs/dbraw/zinc/73/61/90/1294736190.db2.gz HQXXMEDCKLGRDO-ZHZWZMEUSA-N -1 0 327.771 3.069 20 30 EGEDRM CCCCCCCCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)COC2 ZINC000181313655 1294955528 /nfs/dbraw/zinc/95/55/28/1294955528.db2.gz FFNKMGUOJGNJGR-UHFFFAOYSA-N -1 0 339.457 3.272 20 30 EGEDRM O=C1c2c(F)ccc(F)c2OC/C1=C/c1ccc([N+](=O)[O-])c([O-])c1 ZINC000181476058 1294974529 /nfs/dbraw/zinc/97/45/29/1294974529.db2.gz NEHGAOCPVFMPKO-UITAMQMPSA-N -1 0 333.246 3.237 20 30 EGEDRM O=C([O-])c1ccc(/C=C2/COc3c(cc(F)cc3[N+](=O)[O-])C2=O)cc1 ZINC000181478186 1294974696 /nfs/dbraw/zinc/97/46/96/1294974696.db2.gz UFNYYMCWGIBYSQ-WZUFQYTHSA-N -1 0 343.266 3.091 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1 ZINC000191275730 1295664218 /nfs/dbraw/zinc/66/42/18/1295664218.db2.gz MHGODLHVBOLZHG-UHFFFAOYSA-N -1 0 349.308 3.484 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cccc(OCC(C)C)c1 ZINC000193371783 1295858081 /nfs/dbraw/zinc/85/80/81/1295858081.db2.gz ZNAFPFMTYXOLNJ-KRWDZBQOSA-N -1 0 330.428 3.350 20 30 EGEDRM CCCCCCCCCC(=O)[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000195292781 1296055354 /nfs/dbraw/zinc/05/53/54/1296055354.db2.gz PUZRXDCCIMRJRE-UHFFFAOYSA-N -1 0 349.884 3.019 20 30 EGEDRM COc1cc(/C=C\C(=O)c2cccc([N+](=O)[O-])c2)cc([N+](=O)[O-])c1[O-] ZINC000208017842 1296095809 /nfs/dbraw/zinc/09/58/09/1296095809.db2.gz GOFKSHZQONEJDP-WAYWQWQTSA-N -1 0 344.279 3.113 20 30 EGEDRM C[C@H](Oc1cccc(/C=C\C(=O)c2ccc(Cl)nc2)c1)C(=O)[O-] ZINC000255059474 1296493897 /nfs/dbraw/zinc/49/38/97/1296493897.db2.gz YRUYOJSGYNBZOK-XOIDGJRKSA-N -1 0 331.755 3.483 20 30 EGEDRM Cc1ccc([C@H](O)C/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC000255066334 1296494806 /nfs/dbraw/zinc/49/48/06/1296494806.db2.gz RXLQMBFIKYTULI-OADJVDCOSA-N -1 0 334.759 3.415 20 30 EGEDRM O=C(/C=C\c1ccc([O-])c([N+](=O)[O-])c1)c1c(Cl)nc2ccccn21 ZINC000255893057 1296576483 /nfs/dbraw/zinc/57/64/83/1296576483.db2.gz HFXGVQBDRNMABK-ALCCZGGFSA-N -1 0 343.726 3.498 20 30 EGEDRM CO[C@@H](C)C(=O)Nc1cccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000255915249 1296579992 /nfs/dbraw/zinc/57/99/92/1296579992.db2.gz CJUHOBRPKIFOMC-NSHDSACASA-N -1 0 343.339 3.024 20 30 EGEDRM C=CCC[C@H](NC(=O)c1cc(Cl)ccc1OC(C)C)C(=O)[O-] ZINC000262821778 1296649256 /nfs/dbraw/zinc/64/92/56/1296649256.db2.gz FCUMWWKHLYHCGA-ZDUSSCGKSA-N -1 0 325.792 3.276 20 30 EGEDRM C=CCC[C@@H](NC(=O)CCCOc1ccccc1Cl)C(=O)[O-] ZINC000262921936 1296651996 /nfs/dbraw/zinc/65/19/96/1296651996.db2.gz OAWAHZIPRQONNT-CYBMUJFWSA-N -1 0 325.792 3.035 20 30 EGEDRM Cc1sc([N-]S(=O)(=O)c2ccc3c(c2)COC3)c(C#N)c1C ZINC000585129769 1298034205 /nfs/dbraw/zinc/03/42/05/1298034205.db2.gz VPWQRYZACYMZPK-UHFFFAOYSA-N -1 0 334.422 3.068 20 30 EGEDRM O=C1c2ccc(F)cc2OCC/C1=C\c1ccc([N+](=O)[O-])c([O-])c1 ZINC000588419294 1298062926 /nfs/dbraw/zinc/06/29/26/1298062926.db2.gz CPXNBDZCEUEMPE-YRNVUSSQSA-N -1 0 329.283 3.488 20 30 EGEDRM O=C1c2cc([N+](=O)[O-])ccc2CC/C1=C\c1ccc([O-])c([N+](=O)[O-])c1 ZINC000588598598 1298090365 /nfs/dbraw/zinc/09/03/65/1298090365.db2.gz ONGUPGSMXKSGIO-KPKJPENVSA-N -1 0 340.291 3.421 20 30 EGEDRM O=C1c2cc([N+](=O)[O-])ccc2CC/C1=C\c1ccc([N+](=O)[O-])c([O-])c1 ZINC000588598480 1298091225 /nfs/dbraw/zinc/09/12/25/1298091225.db2.gz FYSYHYIBKAIZCH-KPKJPENVSA-N -1 0 340.291 3.421 20 30 EGEDRM C[C@H](Oc1cccc(C=NNc2cc(F)c(F)c(F)c2)c1)C(=O)[O-] ZINC000747642654 1298815654 /nfs/dbraw/zinc/81/56/54/1298815654.db2.gz RXPNSYIDQUKYLF-VIFPVBQESA-N -1 0 338.285 3.402 20 30 EGEDRM Cc1nnc(N=NC(C)[C@@H](C)c2nc3ccccc3s2)[n-]c1=O ZINC000748781826 1299078438 /nfs/dbraw/zinc/07/84/38/1299078438.db2.gz CBCWUROZUOIQTB-MRVPVSSYSA-N -1 0 328.401 3.087 20 30 EGEDRM C=CCCOCC(=O)Nc1cc(Cl)cc(Br)c1[O-] ZINC000748860075 1299094492 /nfs/dbraw/zinc/09/44/92/1299094492.db2.gz NYSLTTKWASNXRE-UHFFFAOYSA-N -1 0 334.597 3.339 20 30 EGEDRM O=C([N-]CCOc1ccccc1C(F)(F)F)C(F)(F)C(F)F ZINC000749383823 1299205967 /nfs/dbraw/zinc/20/59/67/1299205967.db2.gz XNBGCEVEEXSVES-UHFFFAOYSA-N -1 0 333.203 3.101 20 30 EGEDRM N#C[C@@H]([N-]C(=O)C(F)(F)C(F)F)c1ccccc1Br ZINC000749389923 1299206487 /nfs/dbraw/zinc/20/64/87/1299206487.db2.gz QKDWYNULYSRGRC-MRVPVSSYSA-N -1 0 339.086 3.030 20 30 EGEDRM C/C(=C\C(=O)Nc1nc(C#N)c(C#N)[n-]1)c1ccc(C(F)(F)F)cc1 ZINC000749727081 1299262021 /nfs/dbraw/zinc/26/20/21/1299262021.db2.gz YOEZJNHLKNBWSZ-RMKNXTFCSA-N -1 0 345.284 3.214 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])cc1C=NNc1cccc(C(F)(F)F)n1 ZINC000751132682 1299515030 /nfs/dbraw/zinc/51/50/30/1299515030.db2.gz GHZXBCHVTGLMKT-UHFFFAOYSA-N -1 0 326.234 3.160 20 30 EGEDRM CCc1cccc(CC)c1S(=O)(=O)[N-]c1cc(C#N)ccc1O ZINC000751216509 1299525320 /nfs/dbraw/zinc/52/53/20/1299525320.db2.gz LUTZBTYVVMUMAQ-UHFFFAOYSA-N -1 0 330.409 3.189 20 30 EGEDRM COCCOc1ccccc1/C=C/C(=O)c1csc(C(=O)[O-])c1 ZINC000751514542 1299559619 /nfs/dbraw/zinc/55/96/19/1299559619.db2.gz SNULIVLNAKJGCI-VOTSOKGWSA-N -1 0 332.377 3.368 20 30 EGEDRM [O-]c1c(Cl)cccc1C=NN1C(=S)N=NC1c1ccccc1 ZINC000753161584 1299885340 /nfs/dbraw/zinc/88/53/40/1299885340.db2.gz RWKANMXWRVAIDT-UHFFFAOYSA-N -1 0 330.800 3.475 20 30 EGEDRM O=C([O-])c1cc(NN=Cc2cn(-c3ccccc3)nn2)ccc1Cl ZINC000755467687 1300342687 /nfs/dbraw/zinc/34/26/87/1300342687.db2.gz TVLPVECKHOFFEW-UHFFFAOYSA-N -1 0 341.758 3.065 20 30 EGEDRM Cc1ncoc1C([O-])=C(C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000755603536 1300364290 /nfs/dbraw/zinc/36/42/90/1300364290.db2.gz KIQABPPUPGWIJM-VIFPVBQESA-N -1 0 338.150 3.251 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1NN=C1CCc2c1cc(F)cc2F ZINC000756905891 1300587269 /nfs/dbraw/zinc/58/72/69/1300587269.db2.gz OWDIGUWCKYUJBB-UHFFFAOYSA-N -1 0 332.306 3.434 20 30 EGEDRM COc1cc(/C=C/C(=O)c2cc(F)cc(F)c2[O-])ccc1OCC#N ZINC000757475091 1300674824 /nfs/dbraw/zinc/67/48/24/1300674824.db2.gz HHUVCQSWLVSFRN-DUXPYHPUSA-N -1 0 345.301 3.477 20 30 EGEDRM C=CCCC(C)N=Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cn1 ZINC000758107236 1300786739 /nfs/dbraw/zinc/78/67/39/1300786739.db2.gz WJDPKMLYYHSNNF-UHFFFAOYSA-N -1 0 345.428 3.031 20 30 EGEDRM O=C([O-])Cn1cc(/C=C\C(=O)c2ccc(Oc3ccccc3)cc2)nn1 ZINC000759074473 1301010839 /nfs/dbraw/zinc/01/08/39/1301010839.db2.gz WWBINUZKMXKBIN-FLIBITNWSA-N -1 0 349.346 3.051 20 30 EGEDRM CCCn1nc(C)c(/C=C/C(=O)c2cc([N+](=O)[O-])ccc2[O-])c1C ZINC000759088969 1301011313 /nfs/dbraw/zinc/01/13/13/1301011313.db2.gz DMNGRPHYGCNEAP-SOFGYWHQSA-N -1 0 329.356 3.420 20 30 EGEDRM COCCOc1cccc(/C=C\C(=O)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000759091233 1301013188 /nfs/dbraw/zinc/01/31/88/1301013188.db2.gz PYHMPBIXOATYDA-ALCCZGGFSA-N -1 0 343.335 3.222 20 30 EGEDRM Cc1ccccc1C1(C(=O)Nc2cc(C#N)ccc2[O-])CCOCC1 ZINC000759714552 1301148333 /nfs/dbraw/zinc/14/83/33/1301148333.db2.gz ZIFZDRPIQAFCQF-UHFFFAOYSA-N -1 0 336.391 3.259 20 30 EGEDRM COc1ccccc1N1CCC(N=Nc2ccccc2C(=O)[O-])CC1 ZINC000760243130 1301238788 /nfs/dbraw/zinc/23/87/88/1301238788.db2.gz XXDNGYMJALWQLM-UHFFFAOYSA-N -1 0 339.395 3.462 20 30 EGEDRM Fc1ccc2nc(C=Nn3c(=S)[n-]nc3C(F)(F)F)sc2c1 ZINC000761749131 1301535300 /nfs/dbraw/zinc/53/53/00/1301535300.db2.gz HJRKXWDWRAIKPF-UHFFFAOYSA-N -1 0 347.322 3.217 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)c1ccc(C2SCCCS2)cc1 ZINC000762051530 1301602555 /nfs/dbraw/zinc/60/25/55/1301602555.db2.gz BNYPDHOLYQAAOT-UHFFFAOYSA-N -1 0 337.466 3.268 20 30 EGEDRM CCC(CC)[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000762062772 1301605321 /nfs/dbraw/zinc/60/53/21/1301605321.db2.gz OADIKVAUJYDDKO-SNVBAGLBSA-N -1 0 342.848 3.089 20 30 EGEDRM O=C([O-])c1csc(/C=C\C(=O)c2ccc(N3CCOCC3)cc2)c1 ZINC000765823017 1302335742 /nfs/dbraw/zinc/33/57/42/1302335742.db2.gz CTNHGFZKCKWCBI-WAYWQWQTSA-N -1 0 343.404 3.179 20 30 EGEDRM C#CCCCSc1nc([O-])c(CC)c(=O)n1-c1ccccc1OC ZINC000766289280 1302423033 /nfs/dbraw/zinc/42/30/33/1302423033.db2.gz JYCPYLSNLHIIJS-UHFFFAOYSA-N -1 0 344.436 3.015 20 30 EGEDRM C=CCNC(=O)c1ccc(NC(=O)c2c([O-])cccc2Cl)cc1 ZINC000769707075 1303162196 /nfs/dbraw/zinc/16/21/96/1303162196.db2.gz WROKVHRKPLDMFF-UHFFFAOYSA-N -1 0 330.771 3.214 20 30 EGEDRM Cc1c(C(=O)[O-])oc2c1C(=NNc1ccc(F)c([N+](=O)[O-])c1)CCC2 ZINC000769829152 1303181896 /nfs/dbraw/zinc/18/18/96/1303181896.db2.gz BOYBFGFTVPWLQH-UHFFFAOYSA-N -1 0 347.302 3.486 20 30 EGEDRM COc1cc(C)cc2c1OC/C(=C/c1cc([O-])ccc1[N+](=O)[O-])C2=O ZINC000772808109 1303580331 /nfs/dbraw/zinc/58/03/31/1303580331.db2.gz UKTXGCGFABECCU-GHXNOFRVSA-N -1 0 341.319 3.276 20 30 EGEDRM CC(=NNC(=S)Nc1cccc(C)c1C)c1ccc(C(=O)[O-])o1 ZINC000772997120 1303604038 /nfs/dbraw/zinc/60/40/38/1303604038.db2.gz JIRQZPDOHYOSGQ-UHFFFAOYSA-N -1 0 331.397 3.305 20 30 EGEDRM O=C(C=Cc1ccc(N2CCOCC2)c(F)c1)c1sccc1[O-] ZINC000773149064 1303634298 /nfs/dbraw/zinc/63/42/98/1303634298.db2.gz KKCPDXSZPFJSSI-DUXPYHPUSA-N -1 0 333.384 3.326 20 30 EGEDRM N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)=C([O-])c1nccs1 ZINC000774052209 1303768376 /nfs/dbraw/zinc/76/83/76/1303768376.db2.gz LPRDTWNDQAYIGL-JTQLQIEISA-N -1 0 340.191 3.411 20 30 EGEDRM O=C([O-])COc1cccc(C(=O)/C=C/c2nc3c(s2)CCCC3)c1 ZINC000776266115 1304124532 /nfs/dbraw/zinc/12/45/32/1304124532.db2.gz OFHGLKVVQVPTDB-CMDGGOBGSA-N -1 0 343.404 3.381 20 30 EGEDRM CC(C)c1nc(C#N)c(N=NC(C)c2ccc(C(=O)[O-])c(F)c2)o1 ZINC000776765733 1304196147 /nfs/dbraw/zinc/19/61/47/1304196147.db2.gz BMZCHYRHTGZLAI-UHFFFAOYSA-N -1 0 330.319 3.343 20 30 EGEDRM C[C@@H](CC(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1)C1CCCCC1 ZINC000779314473 1304554807 /nfs/dbraw/zinc/55/48/07/1304554807.db2.gz ZPCYNNZZTDRRSJ-AWEZNQCLSA-N -1 0 340.489 3.123 20 30 EGEDRM Cc1c(C(=O)/C=C/c2cc(C(=O)[O-])cs2)c(C#N)c2n1CCC2 ZINC000782199560 1304930265 /nfs/dbraw/zinc/93/02/65/1304930265.db2.gz HFDDOSHAHIKPTN-SNAWJCMRSA-N -1 0 326.377 3.270 20 30 EGEDRM C=CCC(CC=C)C(=O)[N-]S(=O)(=O)c1cccc2ccccc21 ZINC000784593015 1305262463 /nfs/dbraw/zinc/26/24/63/1305262463.db2.gz DUNWUMTVNDWOIU-UHFFFAOYSA-N -1 0 329.421 3.413 20 30 EGEDRM C#CCCCCCC(=O)[N-]S(=O)(=O)c1cccc2ccccc21 ZINC000784592124 1305262612 /nfs/dbraw/zinc/26/26/12/1305262612.db2.gz UVXKIYHYPXNYMY-UHFFFAOYSA-N -1 0 329.421 3.228 20 30 EGEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1ccc2cc[nH]c2n1)c1ccccc1 ZINC000787040628 1305681786 /nfs/dbraw/zinc/68/17/86/1305681786.db2.gz WDKCGXLXQVQEQU-CVEARBPZSA-N -1 0 346.390 3.153 20 30 EGEDRM C=CCN1C(=O)/C(=C/c2cccc(C(=O)[O-])c2Cl)SC1=S ZINC000787169478 1305699799 /nfs/dbraw/zinc/69/97/99/1305699799.db2.gz OXFKGCTUJGLEOQ-YFHOEESVSA-N -1 0 339.825 3.425 20 30 EGEDRM CC=C(CC)C(=O)C(C#N)=C([O-])c1c(C)[nH]c(C)c1C(=O)OCC ZINC000789350319 1306144204 /nfs/dbraw/zinc/14/42/04/1306144204.db2.gz FJOJIFLAHQGVJR-UWUHSAQLSA-N -1 0 330.384 3.056 20 30 EGEDRM COc1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)nc1Cl ZINC000792109801 1309121924 /nfs/dbraw/zinc/12/19/24/1309121924.db2.gz VALDYZNWECYHFQ-JTQLQIEISA-N -1 0 338.754 3.177 20 30 EGEDRM CC[C@H](NN=C1C[C@H](C)c2c1cccc2Br)C(=O)[O-] ZINC000793057885 1309288499 /nfs/dbraw/zinc/28/84/99/1309288499.db2.gz QXSWLVMXJZIIRG-KWQFWETISA-N -1 0 325.206 3.113 20 30 EGEDRM C[C@H](Oc1cccc(/C=C2/COc3cc(F)ccc3C2=O)c1)C(=O)[O-] ZINC000794728289 1309584638 /nfs/dbraw/zinc/58/46/38/1309584638.db2.gz OCNRBEZRJSGQMI-HKMIMPICSA-N -1 0 342.322 3.336 20 30 EGEDRM C=CCCCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795931846 1309864369 /nfs/dbraw/zinc/86/43/69/1309864369.db2.gz ZBZYHWBDDGSIKD-UHFFFAOYSA-N -1 0 336.772 3.022 20 30 EGEDRM C=CCNC(=O)C(C#N)=C([O-])c1ccc2nc(-c3ccccc3)oc2c1 ZINC000796635408 1310052653 /nfs/dbraw/zinc/05/26/53/1310052653.db2.gz LSWFMGQQWPOTSO-OAHLLOKOSA-N -1 0 345.358 3.119 20 30 EGEDRM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])c1cncs1 ZINC000796747092 1310078977 /nfs/dbraw/zinc/07/89/77/1310078977.db2.gz MJRHRDMWXGNSGL-VIFPVBQESA-N -1 0 349.799 3.075 20 30 EGEDRM Cc1ccnc2ccc(C([O-])=C(C#N)C(=O)NCc3ccccc3)cc12 ZINC000796777139 1310085561 /nfs/dbraw/zinc/08/55/61/1310085561.db2.gz BJFCDWIVQBSHQT-GOSISDBHSA-N -1 0 343.386 3.182 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)NCc1ccc(OC2CCCCC2)cc1 ZINC000797717258 1310235393 /nfs/dbraw/zinc/23/53/93/1310235393.db2.gz NWQTWIMOQFLDCS-UHFFFAOYSA-N -1 0 346.427 3.180 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)NCCCc1ccc(Cl)cc1Cl ZINC000797728792 1310237564 /nfs/dbraw/zinc/23/75/64/1310237564.db2.gz AXBVAXMBZABZKS-UHFFFAOYSA-N -1 0 345.226 3.208 20 30 EGEDRM C#Cc1cccc(NC(=O)N(CC(=O)[O-])Cc2ccc(Cl)cc2)c1 ZINC000797736718 1310240270 /nfs/dbraw/zinc/24/02/70/1310240270.db2.gz BNZFQPCCORHBLL-UHFFFAOYSA-N -1 0 342.782 3.440 20 30 EGEDRM C[C@H](OC(=O)c1cc([S-])ccc1F)C(=O)Nc1ccccc1C#N ZINC000798724476 1310430150 /nfs/dbraw/zinc/43/01/50/1310430150.db2.gz RTRZWEQBEXHEIA-JTQLQIEISA-N -1 0 344.367 3.170 20 30 EGEDRM CCCCCCCC(=O)N1CCC(CNC(=O)C(F)(F)F)CC1 ZINC000799021282 1310468949 /nfs/dbraw/zinc/46/89/49/1310468949.db2.gz UBFLNASAQBEYRT-UHFFFAOYSA-N -1 0 336.398 3.264 20 30 EGEDRM COc1cc(F)ccc1NN=Cc1cn(CC(=O)[O-])c2ccccc12 ZINC000799886465 1310632724 /nfs/dbraw/zinc/63/27/24/1310632724.db2.gz RKDCWOYUGRZIHL-UHFFFAOYSA-N -1 0 341.342 3.320 20 30 EGEDRM Cc1[nH]c(C=NNCc2cccc(Cl)c2Cl)cc1C(=O)[O-] ZINC000800816161 1310809874 /nfs/dbraw/zinc/80/98/74/1310809874.db2.gz CNPYQZUZDZOWQQ-UHFFFAOYSA-N -1 0 326.183 3.452 20 30 EGEDRM CC(C)(C#N)CCCOC(=O)c1nn(-c2ccc(F)cc2F)cc1[O-] ZINC000801413892 1310933373 /nfs/dbraw/zinc/93/33/73/1310933373.db2.gz JAVLAAVWANLFAG-UHFFFAOYSA-N -1 0 349.337 3.343 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2)c(C(F)(F)F)c1 ZINC000917716151 1319865274 /nfs/dbraw/zinc/86/52/74/1319865274.db2.gz RGOUMHMYLTUXIQ-UHFFFAOYSA-N -1 0 342.298 3.083 20 30 EGEDRM CCn1nc(C)c(C(=O)/C=C\c2cc(C(=O)[O-])ccc2OC)c1C ZINC000899350717 1316998037 /nfs/dbraw/zinc/99/80/37/1316998037.db2.gz NPHMWWBWVCCVPW-VURMDHGXSA-N -1 0 328.368 3.123 20 30 EGEDRM C[C@H](Oc1cccc(C(=O)/C=C\c2ccnn2C2CCC2)c1)C(=O)[O-] ZINC000899350512 1316998607 /nfs/dbraw/zinc/99/86/07/1316998607.db2.gz GRAUXVSCELZOBX-YXVBKTCISA-N -1 0 340.379 3.356 20 30 EGEDRM COCCn1nc(C)c(C(=O)/C=C\c2ccc(C)c(C(=O)[O-])c2)c1C ZINC000899366894 1317003296 /nfs/dbraw/zinc/00/32/96/1317003296.db2.gz RFADRZBXIPCXMO-FPLPWBNLSA-N -1 0 342.395 3.049 20 30 EGEDRM Cc1ccc([C@H](CC(=O)N[C@H](C)c2cccc(C#N)c2)C(=O)[O-])cc1 ZINC000899770223 1317151008 /nfs/dbraw/zinc/15/10/08/1317151008.db2.gz KWJUZSAFNNSFBG-KDOFPFPSSA-N -1 0 336.391 3.302 20 30 EGEDRM COc1cc(C#N)ccc1OCCOC(=O)c1cc([S-])ccc1F ZINC000805555797 1317387667 /nfs/dbraw/zinc/38/76/67/1317387667.db2.gz RSXOACPVMAJOOS-UHFFFAOYSA-N -1 0 347.367 3.230 20 30 EGEDRM Cc1cc(C#N)c([N-]S(=O)(=O)c2cccc3c2OCCC3)s1 ZINC000903169148 1317667408 /nfs/dbraw/zinc/66/74/08/1317667408.db2.gz AIJZMKZJXIYOQK-UHFFFAOYSA-N -1 0 334.422 3.054 20 30 EGEDRM O=C(/C=C/c1ccc(N2CCC(O)CC2)cc1)c1ccc([O-])c(F)c1 ZINC000905073418 1317919522 /nfs/dbraw/zinc/91/95/22/1317919522.db2.gz QTAAJJLJWOVGIG-XVNBXDOJSA-N -1 0 341.382 3.389 20 30 EGEDRM Cc1csc([N-]S(=O)(=O)C[C@]2(C)CC2(Cl)Cl)c1C#N ZINC000906072881 1318034094 /nfs/dbraw/zinc/03/40/94/1318034094.db2.gz LUEMLXINTCOTHE-JTQLQIEISA-N -1 0 339.269 3.254 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2occc2-c2ccccc2)CC1 ZINC000810985626 1318086371 /nfs/dbraw/zinc/08/63/71/1318086371.db2.gz CXQQFILJGCCLBX-UHFFFAOYSA-N -1 0 331.393 3.115 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2cc3cc(C)c(C)cc3o2)CC1 ZINC000810986195 1318086778 /nfs/dbraw/zinc/08/67/78/1318086778.db2.gz QMHUFGLESWPMCU-UHFFFAOYSA-N -1 0 333.409 3.218 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2cc3c(s2)CCCCC3)CC1 ZINC000810988253 1318087883 /nfs/dbraw/zinc/08/78/83/1318087883.db2.gz FCAQCTOQLFPNHK-UHFFFAOYSA-N -1 0 339.482 3.185 20 30 EGEDRM CN(C)c1cccnc1C/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000811625199 1318215755 /nfs/dbraw/zinc/21/57/55/1318215755.db2.gz GPQLFNFVXCKTJZ-CAOOACKPSA-N -1 0 334.763 3.034 20 30 EGEDRM COc1cc(/C=C2/Cc3ccc(C#N)cc3C2=O)cc([N+](=O)[O-])c1[O-] ZINC000811695276 1318228396 /nfs/dbraw/zinc/22/83/96/1318228396.db2.gz BXTVVNLOWMPQOA-PQMHYQBVSA-N -1 0 336.303 3.003 20 30 EGEDRM CC(=NOCCOC(C)C)c1cc(Br)c(F)cc1[O-] ZINC000812237890 1318349640 /nfs/dbraw/zinc/34/96/40/1318349640.db2.gz GZKHORSZNSWYOB-UHFFFAOYSA-N -1 0 334.185 3.459 20 30 EGEDRM C=CCOc1ccc(C=NNc2ccccc2C(=O)[O-])cc1OC ZINC000812442179 1318394232 /nfs/dbraw/zinc/39/42/32/1318394232.db2.gz SLCOWUIQCAXQOG-UHFFFAOYSA-N -1 0 326.352 3.404 20 30 EGEDRM COC[C@H](C)[C@@H](C)C(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21 ZINC000813058477 1318492693 /nfs/dbraw/zinc/49/26/93/1318492693.db2.gz YGOXUOOTLOWSPI-YWPYICTPSA-N -1 0 326.396 3.287 20 30 EGEDRM C=C(C)[C@@H](CC(=O)N1[C@@H](C(=O)[O-])CC[C@H]1c1ccccc1)OCC ZINC000910096800 1318565990 /nfs/dbraw/zinc/56/59/90/1318565990.db2.gz BUEYJVZQBAKDCU-GVDBMIGSSA-N -1 0 331.412 3.175 20 30 EGEDRM CC(C)(C)c1ccc(-c2ccc(C=Nn3c(=O)[n-][nH]c3=O)o2)cc1 ZINC000814233057 1318707311 /nfs/dbraw/zinc/70/73/11/1318707311.db2.gz ZADWCWWPUCSEOU-UHFFFAOYSA-N -1 0 326.356 3.129 20 30 EGEDRM Cc1cccc(NC(=S)NN=C2CC[C@@H](C(=O)[O-])C[C@H]2C)c1C ZINC000814706876 1318801875 /nfs/dbraw/zinc/80/18/75/1318801875.db2.gz GLYKZXDYSFNLLF-DGCLKSJQSA-N -1 0 333.457 3.467 20 30 EGEDRM Cc1ccc(NC(=S)NN=C2CC[C@H](C(=O)[O-])[C@H](C)C2)c(C)c1 ZINC000814707558 1318802229 /nfs/dbraw/zinc/80/22/29/1318802229.db2.gz ROKKGRMDXKTSCN-RISCZKNCSA-N -1 0 333.457 3.467 20 30 EGEDRM Cc1ccc(NC(=S)NN=C2CC[C@H](C(=O)[O-])C[C@H]2C)c(C)c1 ZINC000814707076 1318802440 /nfs/dbraw/zinc/80/24/40/1318802440.db2.gz IWOVURLFUWYRTP-OLZOCXBDSA-N -1 0 333.457 3.467 20 30 EGEDRM CCOc1ccc(NC(=S)NN=C(C)CC2(C(=O)[O-])CCC2)cc1 ZINC000814717810 1318804213 /nfs/dbraw/zinc/80/42/13/1318804213.db2.gz TYHKGTSHTZRPPC-UHFFFAOYSA-N -1 0 349.456 3.393 20 30 EGEDRM CC(C)(C)c1cnc(C=Nn2c(=S)[n-]nc2C(F)(F)F)s1 ZINC000814724507 1318805299 /nfs/dbraw/zinc/80/52/99/1318805299.db2.gz YWAIBVHCFXLMHF-UHFFFAOYSA-N -1 0 335.380 3.222 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1NN=Cc1ccc(Br)o1 ZINC000814887588 1318840393 /nfs/dbraw/zinc/84/03/93/1318840393.db2.gz PCFXWFYMJVVZAU-UHFFFAOYSA-N -1 0 339.145 3.195 20 30 EGEDRM O=C(/C=C\c1ccc([O-])c([N+](=O)[O-])c1)c1ccc(-n2cccn2)cc1 ZINC000912859493 1318945706 /nfs/dbraw/zinc/94/57/06/1318945706.db2.gz YFGHYNVCOGAWAK-WAPJZHGLSA-N -1 0 335.319 3.382 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2ccn(C(C)C)c2C)n1 ZINC000815315169 1318957225 /nfs/dbraw/zinc/95/72/25/1318957225.db2.gz VPXVZNJNZKJPAA-CQSZACIVSA-N -1 0 345.424 3.176 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cc(Cl)cc(OC)c1 ZINC000815904615 1319070193 /nfs/dbraw/zinc/07/01/93/1319070193.db2.gz LGFBZLZDDVEPAC-OAHLLOKOSA-N -1 0 336.819 3.368 20 30 EGEDRM N#CC(=C([O-])c1cn2c(Br)cnc2s1)c1ccccn1 ZINC000815906984 1319071898 /nfs/dbraw/zinc/07/18/98/1319071898.db2.gz OSKZMXLYBWNMHT-QMMMGPOBSA-N -1 0 347.197 3.043 20 30 EGEDRM C=CCC(F)(F)C(=O)[N-]S(=O)(=O)[C@@H](c1ccccc1)C(C)C ZINC000816106092 1319101740 /nfs/dbraw/zinc/10/17/40/1319101740.db2.gz CDNZQAMJNYUHLI-CYBMUJFWSA-N -1 0 331.384 3.041 20 30 EGEDRM CC(C)[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1ccc(C#N)s1 ZINC000816110195 1319103298 /nfs/dbraw/zinc/10/32/98/1319103298.db2.gz VFEKDDGLPNVVAN-OAHLLOKOSA-N -1 0 348.449 3.077 20 30 EGEDRM Cc1cc(O)cc2c1C(=O)C(=N[N-]c1ncc(Cl)cc1Cl)O2 ZINC000915947627 1319568713 /nfs/dbraw/zinc/56/87/13/1319568713.db2.gz YSFYPDGDKWENKU-UHFFFAOYSA-N -1 0 338.150 3.403 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1csc(Br)c1 ZINC000916878205 1319719205 /nfs/dbraw/zinc/71/92/05/1319719205.db2.gz QRHBVYQXSFMOSP-SNVBAGLBSA-N -1 0 343.246 3.139 20 30 EGEDRM COc1ccc(C(=O)/C=C\c2csc([N+](=O)[O-])c2)cc1CC(=O)[O-] ZINC000917143816 1319762600 /nfs/dbraw/zinc/76/26/00/1319762600.db2.gz QHTDRCWZPVAGJI-RQOWECAXSA-N -1 0 347.348 3.188 20 30 EGEDRM CC(CCc1ccc(OCC(=O)[O-])cc1)=NN[C@H](C)c1ccncc1 ZINC000819817952 1319790066 /nfs/dbraw/zinc/79/00/66/1319790066.db2.gz IDIFIWWMTNXDSG-OAHLLOKOSA-N -1 0 341.411 3.204 20 30 EGEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)[C@H]1CC=CCC1 ZINC000917505348 1319823448 /nfs/dbraw/zinc/82/34/48/1319823448.db2.gz MVLVNEKITIDXAT-UONOGXRCSA-N -1 0 342.395 3.056 20 30 EGEDRM CC(C)CC(CC(C)C)C(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1 ZINC000837971714 1320714216 /nfs/dbraw/zinc/71/42/16/1320714216.db2.gz GIFOJBGNJHKHKD-UHFFFAOYSA-N -1 0 344.415 3.058 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2scnc2C(C)C)n1 ZINC000838056933 1320723938 /nfs/dbraw/zinc/72/39/38/1320723938.db2.gz SXHIHZLGZCVMBN-JTQLQIEISA-N -1 0 349.437 3.065 20 30 EGEDRM CC[C@@H](NN=Cc1cc(-c2ccccc2C)ccc1OC)C(=O)[O-] ZINC000841642015 1321290976 /nfs/dbraw/zinc/29/09/76/1321290976.db2.gz DDLHWCFZQHMWAM-QGZVFWFLSA-N -1 0 326.396 3.457 20 30 EGEDRM CCCCCCCS(=O)(=O)N[C@@H](CC(=O)[O-])c1ccccc1 ZINC000841775602 1321311658 /nfs/dbraw/zinc/31/16/58/1321311658.db2.gz UORAODDIQPYPMU-HNNXBMFYSA-N -1 0 327.446 3.092 20 30 EGEDRM COc1ccc(-c2ccccc2[C@H](O)CC(=O)[O-])cc1C1(C#N)CC1 ZINC000849476655 1322123632 /nfs/dbraw/zinc/12/36/32/1322123632.db2.gz VNJSYGVUMSYIFQ-QGZVFWFLSA-N -1 0 337.375 3.425 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])C=Cc2cccs2)n1 ZINC000920328259 1322163497 /nfs/dbraw/zinc/16/34/97/1322163497.db2.gz XHASGDUYOYBLRB-ISALQUGTSA-N -1 0 332.406 3.271 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])C=C(C)c2ccco2)n1 ZINC000850794798 1322294397 /nfs/dbraw/zinc/29/43/97/1322294397.db2.gz PWVLFFVNPUYTED-HUYFXPKMSA-N -1 0 330.365 3.193 20 30 EGEDRM CC[C@](C)(C#N)C(=O)Nc1cc(C(=O)[O-])c(Br)cc1C ZINC000923105249 1322693512 /nfs/dbraw/zinc/69/35/12/1322693512.db2.gz PRHFURFECKUIJN-CQSZACIVSA-N -1 0 339.189 3.334 20 30 EGEDRM C=CCC[C@H](NC(=O)N[C@@H](C)c1cccc(N2CCCC2)c1)C(=O)[O-] ZINC000929050600 1328496511 /nfs/dbraw/zinc/49/65/11/1328496511.db2.gz YBBIVQWZLRTBDZ-YOEHRIQHSA-N -1 0 345.443 3.066 20 30 EGEDRM CCc1nn(C)c(OC)c1C=NNc1nc2ccccc2[nH]c1=S ZINC000863125048 1329529879 /nfs/dbraw/zinc/52/98/79/1329529879.db2.gz LSCIFMPOZLOOKK-UHFFFAOYSA-N -1 0 342.428 3.043 20 30 EGEDRM COc1cc(OC)c(C(=O)[O-])cc1/C=C/C(=O)c1cnn(C(C)C)c1 ZINC000863184722 1329532738 /nfs/dbraw/zinc/53/27/38/1329532738.db2.gz IGVPJONSEIVJKX-AATRIKPKSA-N -1 0 344.367 3.076 20 30 EGEDRM N#Cc1cccnc1[N-]S(=O)(=O)Cc1cccc(Cl)c1Cl ZINC001197717772 1368879294 /nfs/dbraw/zinc/87/92/94/1368879294.db2.gz MFHPUMYNNKANDA-UHFFFAOYSA-N -1 0 342.207 3.202 20 30 EGEDRM CSc1ncc([O-])c(C(=O)Nc2sc3ccccc3c2C#N)n1 ZINC001185169191 1387631922 /nfs/dbraw/zinc/63/19/22/1387631922.db2.gz XDHBGCBGWZLYIK-UHFFFAOYSA-N -1 0 342.405 3.243 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccc(-c3cnco3)cc2)s1 ZINC001185195400 1387644907 /nfs/dbraw/zinc/64/49/07/1387644907.db2.gz BUXJUEYVTCMZKV-UHFFFAOYSA-N -1 0 331.378 3.076 20 30 EGEDRM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3cnco3)cc2)c(C#N)c1 ZINC001185222331 1387655749 /nfs/dbraw/zinc/65/57/49/1387655749.db2.gz SBDWQSASGFLCPF-UHFFFAOYSA-N -1 0 339.376 3.323 20 30 EGEDRM N#Cc1cc(NC(=O)c2cc(F)ncc2C(F)(F)F)c([O-])cc1F ZINC001185728658 1387785361 /nfs/dbraw/zinc/78/53/61/1387785361.db2.gz IFJRTZGRIXIWMS-UHFFFAOYSA-N -1 0 343.211 3.208 20 30 EGEDRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2oc(C)c(C)c2C#N)c1 ZINC001189577715 1367061067 /nfs/dbraw/zinc/06/10/67/1367061067.db2.gz SZTIXTMUSJAFTJ-UHFFFAOYSA-N -1 0 340.788 3.231 20 30 EGEDRM COc1cccc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)c1C#N ZINC001190500112 1367278526 /nfs/dbraw/zinc/27/85/26/1367278526.db2.gz MFZVEWYCPLTFPA-UHFFFAOYSA-N -1 0 328.393 3.245 20 30 EGEDRM Cc1ccc2nc([N-]S(=O)(=O)c3cc(C#N)ccc3F)ccc2c1 ZINC001190616031 1367309599 /nfs/dbraw/zinc/30/95/99/1367309599.db2.gz GXBPQYJSJHZFSX-UHFFFAOYSA-N -1 0 341.367 3.355 20 30 EGEDRM CC(C)(C)c1cncc([N-]S(=O)(=O)c2cc(C#N)ccc2F)c1 ZINC001190619484 1367310038 /nfs/dbraw/zinc/31/00/38/1367310038.db2.gz OHESIYXOUPSWFG-UHFFFAOYSA-N -1 0 333.388 3.191 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cccc(Cl)c2C#N)c1 ZINC001190650395 1367316803 /nfs/dbraw/zinc/31/68/03/1367316803.db2.gz FHNINCSCVMTESZ-UHFFFAOYSA-N -1 0 335.747 3.023 20 30 EGEDRM N#Cc1cc(-c2ccccc2)oc1[N-]S(=O)(=O)c1ccncc1 ZINC001190855525 1367367174 /nfs/dbraw/zinc/36/71/74/1367367174.db2.gz JNXJYPDRZMXGCF-UHFFFAOYSA-N -1 0 325.349 3.014 20 30 EGEDRM N#Cc1ccc(-c2ccccc2[N-]S(=O)(=O)c2ccncc2)cc1 ZINC001190897340 1367377100 /nfs/dbraw/zinc/37/71/00/1367377100.db2.gz DPDRLMMNOYMNMO-UHFFFAOYSA-N -1 0 335.388 3.421 20 30 EGEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cnc(C3CC3)s2)c1 ZINC001190939197 1367386551 /nfs/dbraw/zinc/38/65/51/1367386551.db2.gz TUFGVKQDSZRLEU-UHFFFAOYSA-N -1 0 339.829 3.346 20 30 EGEDRM N#Cc1cc(F)c([N-]C(=O)c2cc(Br)no2)c(Cl)c1 ZINC001191337639 1367480142 /nfs/dbraw/zinc/48/01/42/1367480142.db2.gz NSJCKBOZORXGFH-UHFFFAOYSA-N -1 0 344.527 3.354 20 30 EGEDRM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1cc(C#N)cnc1C ZINC001191662953 1367556605 /nfs/dbraw/zinc/55/66/05/1367556605.db2.gz WPIWCSJHVFCNMN-UHFFFAOYSA-N -1 0 345.424 3.195 20 30 EGEDRM C#Cc1cccnc1[N-]S(=O)(=O)c1ccc2cc(OC)ccc2c1 ZINC001191937374 1367643867 /nfs/dbraw/zinc/64/38/67/1367643867.db2.gz YHBPQMOAUIMJEC-UHFFFAOYSA-N -1 0 338.388 3.026 20 30 EGEDRM N#Cc1ncc(NC(=O)c2c(F)ccc(F)c2[O-])cc1C(F)(F)F ZINC001192695054 1367852063 /nfs/dbraw/zinc/85/20/63/1367852063.db2.gz UPOXTXARKCHTDV-UHFFFAOYSA-N -1 0 343.211 3.208 20 30 EGEDRM CC(C)(C)c1ccc(Oc2ccc([N-]S(=O)(=O)CC#N)cn2)cc1 ZINC001192939353 1367908427 /nfs/dbraw/zinc/90/84/27/1367908427.db2.gz NJRGJUOKUQFNQJ-UHFFFAOYSA-N -1 0 345.424 3.437 20 30 EGEDRM C[C@H](C#N)S(=O)(=O)[N-]c1cc(-c2ccc(C(F)(F)F)cc2)no1 ZINC001193106819 1367945499 /nfs/dbraw/zinc/94/54/99/1367945499.db2.gz KKIYWQGDQFNKQB-MRVPVSSYSA-N -1 0 345.302 3.014 20 30 EGEDRM C[C@H](C#N)S(=O)(=O)[N-]c1cc(-c2ccc(F)cc2)sc1C#N ZINC001193105628 1367945691 /nfs/dbraw/zinc/94/56/91/1367945691.db2.gz APAOVXHKIIEWEB-SECBINFHSA-N -1 0 335.385 3.080 20 30 EGEDRM Cc1sc([N-]S(=O)(=O)[C@@H](C)C#N)c(C(=O)c2ccccc2)c1C ZINC001193104069 1367945818 /nfs/dbraw/zinc/94/58/18/1367945818.db2.gz FIUNWGWSXVNHFT-JTQLQIEISA-N -1 0 348.449 3.250 20 30 EGEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1cc(F)cc(OCc2ccccc2)c1 ZINC001193149131 1367953982 /nfs/dbraw/zinc/95/39/82/1367953982.db2.gz MKRQPUIZCIKBLO-LBPRGKRZSA-N -1 0 334.372 3.058 20 30 EGEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cc(Cl)ccc2C)c1 ZINC001193679687 1368093177 /nfs/dbraw/zinc/09/31/77/1368093177.db2.gz MGDSERSKJINKHJ-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM N#Cc1cc(NC(=O)c2ccc(O)cc2C(F)(F)F)c([O-])cc1F ZINC001193746616 1368106257 /nfs/dbraw/zinc/10/62/57/1368106257.db2.gz DYSJFADLWRGVTN-UHFFFAOYSA-N -1 0 340.232 3.380 20 30 EGEDRM C=CCCCNS(=O)(=O)c1ccc(-c2cccc(C(=O)[O-])c2)cc1 ZINC001196108442 1368550597 /nfs/dbraw/zinc/55/05/97/1368550597.db2.gz IILSBUKZOWZQSN-UHFFFAOYSA-N -1 0 345.420 3.296 20 30 EGEDRM N#Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(Cl)cn1 ZINC001196243972 1368575516 /nfs/dbraw/zinc/57/55/16/1368575516.db2.gz DDUJPWFYTVBHEX-UHFFFAOYSA-N -1 0 328.180 3.061 20 30 EGEDRM Cc1nc(C#N)ccc1[N-]S(=O)(=O)c1csc2ccccc21 ZINC001186455047 1387947192 /nfs/dbraw/zinc/94/71/92/1387947192.db2.gz PPWWKVFEOWVPFE-UHFFFAOYSA-N -1 0 329.406 3.277 20 30 EGEDRM N#Cc1nc2ccc(NC(=O)c3cc(Cl)ncc3[O-])cc2s1 ZINC001196396114 1368606556 /nfs/dbraw/zinc/60/65/56/1368606556.db2.gz PDOZECDKENQJJI-UHFFFAOYSA-N -1 0 330.756 3.174 20 30 EGEDRM COc1cccc(NC(=S)Nc2ccc(C(=O)[O-])cc2)c1C#N ZINC001197111771 1368746287 /nfs/dbraw/zinc/74/62/87/1368746287.db2.gz BNNNQHAQZSZWBB-UHFFFAOYSA-N -1 0 327.365 3.074 20 30 EGEDRM N#Cc1c(F)cccc1[N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC001197673519 1368870320 /nfs/dbraw/zinc/87/03/20/1368870320.db2.gz WLPVWKNFSFZSGN-UHFFFAOYSA-N -1 0 342.754 3.432 20 30 EGEDRM COc1ccc(S(=O)(=O)[N-]c2sc3c(c2C#N)CCC3)c(C)c1 ZINC001198904781 1369144631 /nfs/dbraw/zinc/14/46/31/1369144631.db2.gz AKKDVMPVZYUOBR-UHFFFAOYSA-N -1 0 348.449 3.226 20 30 EGEDRM CCOc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(C)c(C#N)c1 ZINC001201317601 1369518500 /nfs/dbraw/zinc/51/85/00/1369518500.db2.gz WKAPVNJRKPORNG-UHFFFAOYSA-N -1 0 330.409 3.375 20 30 EGEDRM CC(=O)c1cc(C)ccc1[N-]S(=O)(=O)c1ccc(C)c(C#N)c1 ZINC001201323582 1369519782 /nfs/dbraw/zinc/51/97/82/1369519782.db2.gz JLZPJVNACMKUAS-UHFFFAOYSA-N -1 0 328.393 3.179 20 30 EGEDRM N#Cc1c(F)ccc(NC(=O)c2cc(F)c(F)c([O-])c2F)c1F ZINC001186778698 1388008269 /nfs/dbraw/zinc/00/82/69/1388008269.db2.gz DLWIDRJJGNZJJR-UHFFFAOYSA-N -1 0 328.196 3.212 20 30 EGEDRM COc1ccc(C#N)cc1Nc1ccc(S(=O)(=O)[O-])cc1Cl ZINC001201590513 1369584240 /nfs/dbraw/zinc/58/42/40/1369584240.db2.gz MJZHCFMPRUOTEW-UHFFFAOYSA-N -1 0 338.772 3.211 20 30 EGEDRM Cc1nc(Cl)sc1S(=O)(=O)[N-]c1ccc(C#N)cc1C ZINC001201729015 1369612513 /nfs/dbraw/zinc/61/25/13/1369612513.db2.gz YNSFGFZTVXSLPZ-UHFFFAOYSA-N -1 0 327.818 3.086 20 30 EGEDRM CCCCCCCCCCS(=O)(=O)[N-]c1cn(C)nc1C#N ZINC001201833955 1369630608 /nfs/dbraw/zinc/63/06/08/1369630608.db2.gz HAJQNXDODQRZLZ-UHFFFAOYSA-N -1 0 326.466 3.174 20 30 EGEDRM N#Cc1cnn(-c2ccccc2)c1Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001203318857 1370081512 /nfs/dbraw/zinc/08/15/12/1370081512.db2.gz JZRQVVBYBZDJKN-UHFFFAOYSA-N -1 0 340.289 3.464 20 30 EGEDRM O=C(CCc1nc(-c2cc(F)c(F)c(F)c2F)no1)C1=CC=C[CH]1 ZINC001204642366 1370535931 /nfs/dbraw/zinc/53/59/31/1370535931.db2.gz DLQFPSIPDCOTHF-UHFFFAOYSA-N -1 0 337.252 3.495 20 30 EGEDRM O=C(CCc1nc(-c2ccccc2-n2ccnc2)no1)C1=CC=C[CH]1 ZINC001204642713 1370535944 /nfs/dbraw/zinc/53/59/44/1370535944.db2.gz GOQILHCUUUEENF-UHFFFAOYSA-N -1 0 331.355 3.124 20 30 EGEDRM CCOC(=O)c1cc(C#N)c(C)nc1-c1ccc(F)c(C(=O)[O-])c1F ZINC001205055287 1370638441 /nfs/dbraw/zinc/63/84/41/1370638441.db2.gz RVPZCEPFCFUEQO-UHFFFAOYSA-N -1 0 346.289 3.082 20 30 EGEDRM CC(C)CNN=C1CC(C(=O)[O-])(c2cccc(Br)c2)C1 ZINC001117704669 1371065976 /nfs/dbraw/zinc/06/59/76/1371065976.db2.gz ZVPSBCPWPDEBNA-UHFFFAOYSA-N -1 0 339.233 3.167 20 30 EGEDRM O=S(=O)([N-]c1ccccc1C#Cc1ccccc1)c1nccs1 ZINC001187899577 1388186647 /nfs/dbraw/zinc/18/66/47/1388186647.db2.gz DSTLAVXSKOVIJT-UHFFFAOYSA-N -1 0 340.429 3.344 20 30 EGEDRM Cc1cc(Nc2ccc3c(cccc3S(=O)(=O)[O-])c2)cnc1C#N ZINC001210205407 1372294106 /nfs/dbraw/zinc/29/41/06/1372294106.db2.gz SRZHWZCUYRERIB-UHFFFAOYSA-N -1 0 339.376 3.405 20 30 EGEDRM N#Cc1cc(Nc2ccc(S(=O)(=O)[O-])c3ccccc23)ccc1O ZINC001210533417 1372372958 /nfs/dbraw/zinc/37/29/58/1372372958.db2.gz ZIAXROAQJCOLTE-UHFFFAOYSA-N -1 0 340.360 3.407 20 30 EGEDRM N#Cc1cc(Cl)cc(Nc2nc[n-]c(=O)c2Br)c1 ZINC001210537261 1372373598 /nfs/dbraw/zinc/37/35/98/1372373598.db2.gz TYFJMTUCZCJJKY-UHFFFAOYSA-N -1 0 325.553 3.213 20 30 EGEDRM CCCCCCCCS(=O)(=O)[N-]c1oc(C)nc1C(=O)OCC ZINC001187994356 1388207764 /nfs/dbraw/zinc/20/77/64/1388207764.db2.gz JHOXENFSPYGDKJ-UHFFFAOYSA-N -1 0 346.449 3.262 20 30 EGEDRM CCCCCCCCS(=O)(=O)[N-]c1cc(Cl)nc(OC)n1 ZINC001187992984 1388207898 /nfs/dbraw/zinc/20/78/98/1388207898.db2.gz CIDZXLOXRCQJEZ-UHFFFAOYSA-N -1 0 335.857 3.241 20 30 EGEDRM N#Cc1cnn(-c2ccccc2)c1Nc1ccc(C(=O)[O-])c(F)c1F ZINC001212510966 1372717265 /nfs/dbraw/zinc/71/72/65/1372717265.db2.gz LTPITWWBVPZDKP-UHFFFAOYSA-N -1 0 340.289 3.464 20 30 EGEDRM N#Cc1ccc(Nc2ccc3ccc(S(=O)(=O)[O-])cc3c2)c(N)c1 ZINC001213361723 1372893002 /nfs/dbraw/zinc/89/30/02/1372893002.db2.gz ZPGCYHLTTNLAKK-UHFFFAOYSA-N -1 0 339.376 3.284 20 30 EGEDRM CCOc1cc(-c2noc(-c3cccc(C#N)c3[O-])n2)ccc1OC ZINC001216979574 1373374880 /nfs/dbraw/zinc/37/48/80/1373374880.db2.gz CLBWLRQZNXKXOO-UHFFFAOYSA-N -1 0 337.335 3.388 20 30 EGEDRM N#Cc1ccc(-c2nc(-c3ncccc3C(F)(F)F)no2)c([O-])c1 ZINC001217038612 1373381179 /nfs/dbraw/zinc/38/11/79/1373381179.db2.gz DJVSLOBWNLFAMU-UHFFFAOYSA-N -1 0 332.241 3.395 20 30 EGEDRM N#Cc1ccc(-c2nc(-c3ccc(F)c4c3C(=O)CC4)no2)c([O-])c1 ZINC001217039644 1373382217 /nfs/dbraw/zinc/38/22/17/1373382217.db2.gz WDBQNYMOUAWAEG-UHFFFAOYSA-N -1 0 335.294 3.249 20 30 EGEDRM Cc1cccc([O-])c1C(=O)Nc1c(C#N)cnnc1-c1ccccc1 ZINC001188640720 1388351133 /nfs/dbraw/zinc/35/11/33/1388351133.db2.gz XDWULOCQYZXCGD-UHFFFAOYSA-N -1 0 330.347 3.282 20 30 EGEDRM [O-]/N=C(\OC[C@H]1COc2cscc2O1)c1ccc(Cl)cc1 ZINC001223594584 1375040334 /nfs/dbraw/zinc/04/03/34/1375040334.db2.gz XZYNLRNIXJIKBO-QSJBWMMGSA-N -1 0 325.773 3.394 20 30 EGEDRM C#C[C@H]1CCC[C@H]1Oc1c(Cl)cc(S(=O)(=O)[O-])cc1Cl ZINC001227635898 1375457868 /nfs/dbraw/zinc/45/78/68/1375457868.db2.gz VILBWSIRMFAYQN-QPUJVOFHSA-N -1 0 335.208 3.421 20 30 EGEDRM CC[C@@H](C#Cc1ccccc1)Oc1nc(C2CC2)[n-]c(=O)c1[N+](=O)[O-] ZINC001228610392 1375615214 /nfs/dbraw/zinc/61/52/14/1375615214.db2.gz UNLQOPCGXKHTRL-AWEZNQCLSA-N -1 0 339.351 3.177 20 30 EGEDRM C=C[C@H](C#CC(C)(C)C)Oc1cc([O-])c(C(=O)OC)cc1[N+](=O)[O-] ZINC001228814375 1375686715 /nfs/dbraw/zinc/68/67/15/1375686715.db2.gz MFHXMWPAYIAFKG-LLVKDONJSA-N -1 0 333.340 3.070 20 30 EGEDRM COc1cc(C(=O)[O-])cc(-c2nc(-c3ccncc3)ccc2C#N)c1 ZINC001244175717 1377035454 /nfs/dbraw/zinc/03/54/54/1377035454.db2.gz NCFHWPLHPXCOJH-UHFFFAOYSA-N -1 0 331.331 3.389 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2cnc(C#N)c(C(F)(F)F)c2)s1 ZINC001260679922 1377124853 /nfs/dbraw/zinc/12/48/53/1377124853.db2.gz PRAHHGTWCLNWIV-UHFFFAOYSA-N -1 0 347.343 3.143 20 30 EGEDRM N#CCCN(Cc1cccnc1)Cc1ccc(Cl)cc1C(=O)[O-] ZINC001142647010 1378469072 /nfs/dbraw/zinc/46/90/72/1378469072.db2.gz LRQULBHESVLACV-UHFFFAOYSA-N -1 0 329.787 3.349 20 30 EGEDRM N#Cc1oc2ccccc2c1NC(=O)c1cc(=O)n(-c2ccccc2)[n-]1 ZINC001147880479 1379096465 /nfs/dbraw/zinc/09/64/65/1379096465.db2.gz AWPJECPTZKFLHU-UHFFFAOYSA-N -1 0 344.330 3.036 20 30 EGEDRM N#Cc1cccc2[nH]nc(NC(=O)c3cc4cccc(O)c4cc3[O-])c21 ZINC001149649946 1379420010 /nfs/dbraw/zinc/42/00/10/1379420010.db2.gz HWSVJSBVOHFBCQ-UHFFFAOYSA-N -1 0 344.330 3.251 20 30 EGEDRM COc1cccc(NC(=O)c2c([O-])cnc3ccc(C)cc32)c1C#N ZINC001154532502 1380298688 /nfs/dbraw/zinc/29/86/88/1380298688.db2.gz OAOCOWOIRBUMBX-UHFFFAOYSA-N -1 0 333.347 3.381 20 30 EGEDRM COc1cccc2c(C(=O)Nc3cc(C#N)c(F)cc3[O-])c[nH]c21 ZINC001154876221 1380371018 /nfs/dbraw/zinc/37/10/18/1380371018.db2.gz KWFVBHXFHMTCCF-UHFFFAOYSA-N -1 0 325.299 3.145 20 30 EGEDRM CC(C)[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1csc(C#N)c1 ZINC001328106417 1388675697 /nfs/dbraw/zinc/67/56/97/1388675697.db2.gz SRDLMCHANHGZIA-HNNXBMFYSA-N -1 0 348.449 3.077 20 30 EGEDRM COC(=O)[C@@H](Nc1cc(/C=N/[O-])cc(C(F)(F)F)c1)C(F)(F)F ZINC001171014770 1384430142 /nfs/dbraw/zinc/43/01/42/1384430142.db2.gz IWEYDDZDHKNTLB-NFPDYWJSSA-N -1 0 344.211 3.029 20 30 EGEDRM CC(C)(C#N)c1ccc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)cn1 ZINC001174502940 1385114519 /nfs/dbraw/zinc/11/45/19/1385114519.db2.gz ORRFWXWIGSHZHQ-UHFFFAOYSA-N -1 0 326.312 3.233 20 30 EGEDRM N#Cc1c(F)c(F)cc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c1F ZINC001174505757 1385114894 /nfs/dbraw/zinc/11/48/94/1385114894.db2.gz MADIIDOXHNLGDM-UHFFFAOYSA-N -1 0 337.213 3.326 20 30 EGEDRM N#Cc1ccc(Nc2ccc(F)c(C(=O)[O-])c2)c(Br)n1 ZINC001175215975 1385222566 /nfs/dbraw/zinc/22/25/66/1385222566.db2.gz RSBAAVOHGWQXMN-UHFFFAOYSA-N -1 0 336.120 3.297 20 30 EGEDRM N#Cc1c([O-])csc1Nc1cc(C(=O)N2CCCC2)ccc1F ZINC001176211128 1385514234 /nfs/dbraw/zinc/51/42/34/1385514234.db2.gz TVLNEFOBDVRIKF-UHFFFAOYSA-N -1 0 331.372 3.444 20 30 EGEDRM COc1ccc(C#Cc2ccccc2Nc2cnn(CC(=O)[O-])c2)cc1 ZINC001176272795 1385534262 /nfs/dbraw/zinc/53/42/62/1385534262.db2.gz DXRDRYQMZWWLHH-UHFFFAOYSA-N -1 0 347.374 3.120 20 30 EGEDRM N#Cc1cc(NC(=O)/C=C/c2cc(F)c(F)cc2F)c([O-])cc1F ZINC001179885160 1386618540 /nfs/dbraw/zinc/61/85/40/1386618540.db2.gz XSSLQHACMFHXKO-OWOJBTEDSA-N -1 0 336.244 3.472 20 30 EGEDRM C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H](CC=C)C(=O)[O-] ZINC001321167386 1386828232 /nfs/dbraw/zinc/82/82/32/1386828232.db2.gz VZEGXAFVYWKBAR-GFCCVEGCSA-N -1 0 343.301 3.029 20 30 EGEDRM C=CC[C@H](NC(=O)CCCOc1cccc2ccccc21)C(=O)[O-] ZINC001321340858 1386880620 /nfs/dbraw/zinc/88/06/20/1386880620.db2.gz ZPBHEZLTXXKDIM-INIZCTEOSA-N -1 0 327.380 3.144 20 30 EGEDRM C=CC[C@@H](NC(=O)c1ccc(-c2ccc(F)cc2)cc1F)C(=O)[O-] ZINC001321339566 1386881110 /nfs/dbraw/zinc/88/11/10/1386881110.db2.gz PLMIWLDNOAVGNQ-MRXNPFEDSA-N -1 0 331.318 3.391 20 30 EGEDRM N#Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1c[nH]c(C(F)(F)F)c1 ZINC001321388203 1386891343 /nfs/dbraw/zinc/89/13/43/1386891343.db2.gz FETBXKJEKCQJAE-UHFFFAOYSA-N -1 0 349.721 3.359 20 30 EGEDRM Cc1cc(CCC(=O)Nc2cc(C#N)c(F)cc2[O-])cc(C)c1O ZINC001182335612 1387151195 /nfs/dbraw/zinc/15/11/95/1387151195.db2.gz OVHNLCLUBSZCKA-UHFFFAOYSA-N -1 0 328.343 3.297 20 30 EGEDRM O=C1CCCN1Cc1ccccc1N=Cc1cc([N+](=O)[O-])ccc1[O-] ZINC001337874787 1389466047 /nfs/dbraw/zinc/46/60/47/1389466047.db2.gz XKFWGECEWQUHQX-UHFFFAOYSA-N -1 0 339.351 3.173 20 30 EGEDRM C=CC[C@@H](NC(=O)NC[C@@H](C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001330816298 1389535814 /nfs/dbraw/zinc/53/58/14/1389535814.db2.gz CSMCJBFYDAYJSU-ZWNOBZJWSA-N -1 0 344.333 3.137 20 30 EGEDRM C=CC[C@@H](NC(=O)N1CCCC[C@H]1CCC(=O)[O-])c1ccncc1 ZINC001340476630 1390294637 /nfs/dbraw/zinc/29/46/37/1390294637.db2.gz IOYKOXXXPUHZID-JKSUJKDBSA-N -1 0 331.416 3.128 20 30 EGEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(N2CCCCCC2)cc1 ZINC001342022508 1390562767 /nfs/dbraw/zinc/56/27/67/1390562767.db2.gz SQZGBMXVMBUQLY-GOSISDBHSA-N -1 0 339.439 3.012 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(C)cc(Cl)n2)n1 ZINC001342371123 1390606172 /nfs/dbraw/zinc/60/61/72/1390606172.db2.gz KQKOKAACMBQYCB-SECBINFHSA-N -1 0 349.799 3.167 20 30 EGEDRM N#CC(=C([O-])c1occ2c1CCOC2)c1nccn1Cc1ccccc1 ZINC001342923492 1390673226 /nfs/dbraw/zinc/67/32/26/1390673226.db2.gz FBLOVOLBVRLIEO-QGZVFWFLSA-N -1 0 347.374 3.087 20 30 EGEDRM CC(C)(C)c1cc(C([O-])=C(C#N)c2nccn2Cc2ccccc2)n[nH]1 ZINC001342925051 1390673720 /nfs/dbraw/zinc/67/37/20/1390673720.db2.gz QHGNWZBHWRMYRF-OAHLLOKOSA-N -1 0 347.422 3.442 20 30 EGEDRM CCC(=O)c1ccc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)cc1 ZINC001343463727 1390715746 /nfs/dbraw/zinc/71/57/46/1390715746.db2.gz QPNKFOYRLHQEQJ-HNNXBMFYSA-N -1 0 344.374 3.295 20 30 EGEDRM CC(C)(C)OC(=O)c1ccc(C([O-])=C(C#N)c2cccc(F)n2)nc1 ZINC001344686375 1390808560 /nfs/dbraw/zinc/80/85/60/1390808560.db2.gz MBWGFDBMLRBBTG-GFCCVEGCSA-N -1 0 341.342 3.061 20 30 EGEDRM C=CCC[C@H]1CCCN1C(=O)c1ccc(OCC(=O)[O-])c(OCC)c1 ZINC001345795767 1390885181 /nfs/dbraw/zinc/88/51/81/1390885181.db2.gz KRGSKOQDMVFIEK-HNNXBMFYSA-N -1 0 347.411 3.120 20 30 EGEDRM C=CC[C@@H](NC(=O)NCc1ccc(C)cc1O[C@@H](C)CC)C(=O)[O-] ZINC001348023247 1391161382 /nfs/dbraw/zinc/16/13/82/1391161382.db2.gz DWIDQKDRABGJRM-DZGCQCFKSA-N -1 0 334.416 3.001 20 30 EGEDRM C=C(C)COC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735402074 1428962404 /nfs/dbraw/zinc/96/24/04/1428962404.db2.gz HIRXPYNPGYRVKP-UHFFFAOYSA-N -1 0 336.351 3.392 20 30 EGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H](C)c1ccccc1 ZINC000823915314 1429203537 /nfs/dbraw/zinc/20/35/37/1429203537.db2.gz UGYZIMYQWPYCBZ-OAHLLOKOSA-N -1 0 347.422 3.185 20 30 EGEDRM CCCCCCCCNC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000825270720 1423442024 /nfs/dbraw/zinc/44/20/24/1423442024.db2.gz CFVDWGLEHOTUTL-UHFFFAOYSA-N -1 0 330.436 3.026 20 30 EGEDRM CC[C@H]1C[C@@H](CN=Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CCO1 ZINC000825181728 1424471079 /nfs/dbraw/zinc/47/10/79/1424471079.db2.gz FXCPHJWYLJGDBO-JQWIXIFHSA-N -1 0 334.811 3.123 20 30 EGEDRM CCCCc1ccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC000736466984 1425058760 /nfs/dbraw/zinc/05/87/60/1425058760.db2.gz QIMKXAOGMXVMII-UHFFFAOYSA-N -1 0 346.394 3.333 20 30 EGEDRM CC(C)[C@H]1CC[C@H](C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)CC1 ZINC000824343116 1425174677 /nfs/dbraw/zinc/17/46/77/1425174677.db2.gz XHAGYORCRGATFX-JOCQHMNTSA-N -1 0 338.415 3.139 20 30 EGEDRM CCN(C)c1ccc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000825395050 1425620090 /nfs/dbraw/zinc/62/00/90/1425620090.db2.gz JSQCLRCQFIICAX-RAXLEYEMSA-N -1 0 333.395 3.219 20 30 EGEDRM C=CCN(Cc1ccccc1F)Cc1cccc(-c2nn[n-]n2)c1F ZINC000823919684 1425862522 /nfs/dbraw/zinc/86/25/22/1425862522.db2.gz MYSCZPWHNJOYET-UHFFFAOYSA-N -1 0 341.365 3.333 20 30 EGEDRM Cc1ccc2c(c1)OCCC(=Cc1ccc(-c3nn[n-]n3)cc1)C2=O ZINC000822280823 1426207346 /nfs/dbraw/zinc/20/73/46/1426207346.db2.gz XWWQYWXTNROBFF-PTNGSMBKSA-N -1 0 332.363 3.224 20 30 EGEDRM N#Cc1cccc(CSCc2ccc(F)cc2-c2nn[n-]n2)c1F ZINC000826386874 1426353276 /nfs/dbraw/zinc/35/32/76/1426353276.db2.gz WHNBAWANIIZRQO-UHFFFAOYSA-N -1 0 343.362 3.450 20 30 EGEDRM O=C1C(=Cc2ccc(-c3nn[n-]n3)s2)CSc2c(F)cccc21 ZINC000823503834 1426385792 /nfs/dbraw/zinc/38/57/92/1426385792.db2.gz JHYIOFVZVKPMKC-VURMDHGXSA-N -1 0 344.396 3.439 20 30 EGEDRM C=CCC[C@@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccccc1 ZINC000819734180 1427074767 /nfs/dbraw/zinc/07/47/67/1427074767.db2.gz JPHHDCCELZYYJL-CQSZACIVSA-N -1 0 339.424 3.366 20 30 EGEDRM O=C1c2ccc(F)cc2OCCC1=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826475848 1427654743 /nfs/dbraw/zinc/65/47/43/1427654743.db2.gz SQKHAISZZYLNFR-LCYFTJDESA-N -1 0 336.326 3.055 20 30 EGEDRM Cc1ccc(CN=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)cc1F ZINC000737328066 1428057903 /nfs/dbraw/zinc/05/79/03/1428057903.db2.gz BLLPDEJKEDUBIU-UHFFFAOYSA-N -1 0 343.366 3.046 20 30 EGEDRM CC(=NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(O)c(C)c1 ZINC000823958867 1430030234 /nfs/dbraw/zinc/03/02/34/1430030234.db2.gz ZUTMRWNUWWQZDD-UHFFFAOYSA-N -1 0 342.790 3.370 20 30 EGEDRM C=C[C@@H](CC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823883249 1441805039 /nfs/dbraw/zinc/80/50/39/1441805039.db2.gz MHTAHPQILASKPW-GJZGRUSLSA-N -1 0 347.422 3.404 20 30 EGEDRM O=C(C=Cc1cc(F)c(F)c(F)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000826399934 1441805163 /nfs/dbraw/zinc/80/51/63/1441805163.db2.gz KLTGTEIPZMEZJW-UPHRSURJSA-N -1 0 336.298 3.242 20 30 EGEDRM C[C@H]1C[C@H](C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)CC(C)(C)C1 ZINC000824865388 1441931394 /nfs/dbraw/zinc/93/13/94/1441931394.db2.gz IFQQDGVWFXPBGG-AAEUAGOBSA-N -1 0 338.415 3.139 20 30 EGEDRM Cc1ccccc1C(C)N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000823958080 1441938872 /nfs/dbraw/zinc/93/88/72/1441938872.db2.gz BDKCTNXZESCAPP-UHFFFAOYSA-N -1 0 327.779 3.060 20 30 EGEDRM C=C(C)CN(C)c1c(-c2nn[n-]n2)cnc2c(F)ccc(Cl)c21 ZINC000823878411 1442002245 /nfs/dbraw/zinc/00/22/45/1442002245.db2.gz YBBVNZMCLXHWDH-UHFFFAOYSA-N -1 0 332.770 3.220 20 30 EGEDRM Fc1cc(Cl)c(N=NCc2ccc(-c3nn[n-]n3)o2)c(Cl)c1 ZINC000826372032 1443198253 /nfs/dbraw/zinc/19/82/53/1443198253.db2.gz DMMSKHGWIBIKQL-UHFFFAOYSA-N -1 0 341.133 3.352 20 30 EGEDRM C(=NNc1cccc(-c2nn[n-]n2)c1)c1cnc(C2CCCC2)s1 ZINC000819718479 1443550949 /nfs/dbraw/zinc/55/09/49/1443550949.db2.gz IXXWFEPFJIYHMP-UHFFFAOYSA-N -1 0 339.428 3.427 20 30 EGEDRM c1ccc(C(C[C@H]2CCOC2)=NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826520546 1443709732 /nfs/dbraw/zinc/70/97/32/1443709732.db2.gz LTBGZSXRBOXEDY-CQSZACIVSA-N -1 0 348.410 3.110 20 30 EGEDRM C[C@@H]1c2c(c(O)ccc2F)C(=O)C1=Cc1cc(-c2nnn[n-]2)cs1 ZINC000820643754 1443912790 /nfs/dbraw/zinc/91/27/90/1443912790.db2.gz YTKHYJRYYHLNLQ-ZHNVUNHESA-N -1 0 342.355 3.156 20 30 EGEDRM N#Cc1cc(COc2cc(Cl)ccc2-c2nn[n-]n2)ccc1F ZINC000822819484 1444013567 /nfs/dbraw/zinc/01/35/67/1444013567.db2.gz TYGNMPVWZBEYFG-UHFFFAOYSA-N -1 0 329.722 3.110 20 30 EGEDRM O=C1C(=Cc2cc(-c3nn[n-]n3)cs2)CSc2ccc(F)cc21 ZINC000823505199 1444019246 /nfs/dbraw/zinc/01/92/46/1444019246.db2.gz YWMXUILAUJXKJP-FPYGCLRLSA-N -1 0 344.396 3.439 20 30 EGEDRM C=CCN(Cc1cnc(Cl)s1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000819745694 1446101365 /nfs/dbraw/zinc/10/13/65/1446101365.db2.gz PTVCWEFBOVELOQ-UHFFFAOYSA-N -1 0 346.847 3.165 20 30 EGEDRM COc1ccc(NN=C(C)c2ccc(-c3nn[n-]n3)s2)cc1Cl ZINC000826210662 1446631378 /nfs/dbraw/zinc/63/13/78/1446631378.db2.gz ZQZJPOJOCVYCON-UHFFFAOYSA-N -1 0 348.819 3.426 20 30 EGEDRM CC(=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccccn1 ZINC000735451176 1446992567 /nfs/dbraw/zinc/99/25/67/1446992567.db2.gz RKCCYUBARUBZLF-UHFFFAOYSA-N -1 0 347.304 3.117 20 30 EGEDRM N#CCCN(C1CCCC1)C(F)(F)c1cc(Cl)nnc1C(=O)[O-] ZINC001165018307 721835954 /nfs/dbraw/zinc/83/59/54/721835954.db2.gz WUBMIMXAONCXBJ-UHFFFAOYSA-N -1 0 344.749 3.036 20 30 EGEDRM C#CCN(C(=O)Nc1cc(C(=O)[O-])ccn1)[C@H]1CCCc2ccccc21 ZINC001602675789 971253838 /nfs/dbraw/zinc/25/38/38/971253838.db2.gz REEZRORZAZYMKC-KRWDZBQOSA-N -1 0 349.390 3.325 20 30 EGEDRM CC(C)C[C@H](Nc1ccc(C#N)c(Br)c1F)C(=O)[O-] ZINC000231842106 949756345 /nfs/dbraw/zinc/75/63/45/949756345.db2.gz AEKKLXRLOQGNQB-JTQLQIEISA-N -1 0 329.169 3.371 20 30 EGEDRM CCCOc1ccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])cc1OCCC ZINC001589681018 950047771 /nfs/dbraw/zinc/04/77/71/950047771.db2.gz CBBMGFHVYWAOHM-SFHVURJKSA-N -1 0 348.399 3.207 20 30 EGEDRM CC(C)Oc1ccc(NC(=O)NC(C)(C)CCC(=O)[O-])cc1C#N ZINC000263091794 950260103 /nfs/dbraw/zinc/26/01/03/950260103.db2.gz SNYBDZFDYBXJGQ-UHFFFAOYSA-N -1 0 333.388 3.110 20 30 EGEDRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2ccc(C#N)cc2C2CC2)C1 ZINC001589271368 953407588 /nfs/dbraw/zinc/40/75/88/953407588.db2.gz AKVOSHCSQXZICA-SMDDNHRTSA-N -1 0 327.384 3.010 20 30 EGEDRM C[C@@H]1CCCN(CC#Cc2ccc(OC(F)(F)F)cc2)[C@@H]1C(=O)[O-] ZINC001589327933 953928447 /nfs/dbraw/zinc/92/84/47/953928447.db2.gz LNZAMPMOTGCSIF-DOMZBBRYSA-N -1 0 341.329 3.122 20 30 EGEDRM Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001594507011 955367205 /nfs/dbraw/zinc/36/72/05/955367205.db2.gz VDYRTHLDLYWPEW-UHFFFAOYSA-N -1 0 335.319 3.201 20 30 EGEDRM N#Cc1cc(NC(=O)[C@]2(C(=O)[O-])CC=CCC2)ccc1Br ZINC001594616744 956243708 /nfs/dbraw/zinc/24/37/08/956243708.db2.gz ZHQGLEBNUKEAAO-HNNXBMFYSA-N -1 0 349.184 3.070 20 30 EGEDRM N#Cc1cc(Cl)c(C(=O)NC[C@@H](C(=O)[O-])C2CCC2)c(Cl)c1 ZINC001594616756 956244310 /nfs/dbraw/zinc/24/43/10/956244310.db2.gz ROIVRWKVXHPKEH-SNVBAGLBSA-N -1 0 341.194 3.096 20 30 EGEDRM N#Cc1ccc(C2(C(=O)N[C@@H]3C[C@H](C(=O)[O-])c4ccccc43)CC2)cc1 ZINC001594618361 956263281 /nfs/dbraw/zinc/26/32/81/956263281.db2.gz KQYZMGPSPFYQRN-ZWKOTPCHSA-N -1 0 346.386 3.019 20 30 EGEDRM C[C@H](SCC(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1)C(=O)[O-] ZINC001589169156 956454199 /nfs/dbraw/zinc/45/41/99/956454199.db2.gz VMBJYBAGKMBLDG-CMPLNLGQSA-N -1 0 346.433 3.193 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)Nc1ccc(Oc2ccccc2F)cc1 ZINC001588413149 958156330 /nfs/dbraw/zinc/15/63/30/958156330.db2.gz SIPDMLROBJTPCG-UHFFFAOYSA-N -1 0 342.326 3.170 20 30 EGEDRM C#Cc1cccc(N(Cc2ccco2)C(=O)c2ccc(C(=O)[O-])nc2)c1 ZINC001588438795 958305032 /nfs/dbraw/zinc/30/50/32/958305032.db2.gz BOAYMXCGWCPROM-UHFFFAOYSA-N -1 0 346.342 3.201 20 30 EGEDRM C=C(C)[C@@H](CC(=O)N1C[C@H](CCC(=O)[O-])Cc2ccccc21)OCC ZINC001588443120 958350886 /nfs/dbraw/zinc/35/08/86/958350886.db2.gz YFMFKFFJGROEQX-CRAIPNDOSA-N -1 0 345.439 3.428 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)N[C@H](c1cccc(Cl)c1)C1CCCC1 ZINC001573317367 958448606 /nfs/dbraw/zinc/44/86/06/958448606.db2.gz GTAUELWDHWRJTQ-KRWDZBQOSA-N -1 0 348.830 3.301 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NCC1(c2ccccc2)CCCCCC1 ZINC001573366254 958626653 /nfs/dbraw/zinc/62/66/53/958626653.db2.gz ZUHCIPYGMFKAMP-LJQANCHMSA-N -1 0 342.439 3.399 20 30 EGEDRM Cc1csc(NC(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)c1C#N ZINC001594440837 959262820 /nfs/dbraw/zinc/26/28/20/959262820.db2.gz RCIFOVIGVOGRRD-QGZVFWFLSA-N -1 0 343.408 3.092 20 30 EGEDRM C[C@@H]1CCc2sc(NC(=O)[C@@H]3CC[C@H]3C(=O)[O-])c(C#N)c2[C@@H]1C ZINC001573739623 960481069 /nfs/dbraw/zinc/48/10/69/960481069.db2.gz WBIHRCPLTFKRRG-GWOFURMSSA-N -1 0 332.425 3.355 20 30 EGEDRM CCC(CC)(CNC(=O)C#Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001573785365 960734733 /nfs/dbraw/zinc/73/47/33/960734733.db2.gz QZBGKSMVGQQTBA-UHFFFAOYSA-N -1 0 341.329 3.064 20 30 EGEDRM CC(C)C[C@H](CNC(=O)C[C@H](CC#N)c1ccccc1)CC(=O)[O-] ZINC001588888158 962197232 /nfs/dbraw/zinc/19/72/32/962197232.db2.gz QSJNJQDOYOHWAS-RDJZCZTQSA-N -1 0 330.428 3.327 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1c(C)onc1-c1cccs1)C(=O)[O-] ZINC001349953701 962502418 /nfs/dbraw/zinc/50/24/18/962502418.db2.gz GOVMPJINNYKTOW-LLVKDONJSA-N -1 0 334.397 3.251 20 30 EGEDRM C#C[C@H](NC(=O)Nc1cccc(C(=O)[O-])n1)c1ccc(Cl)cc1F ZINC001573302777 962661205 /nfs/dbraw/zinc/66/12/05/962661205.db2.gz QBNAEPNXGOYSDF-LBPRGKRZSA-N -1 0 347.733 3.068 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1cnn(-c2cccc(Cl)c2)c1CC ZINC001573336412 962858547 /nfs/dbraw/zinc/85/85/47/962858547.db2.gz BYBBKBGPGQQYOZ-UHFFFAOYSA-N -1 0 347.802 3.448 20 30 EGEDRM C=C[C@@H](CC)CC(=O)N[C@@H](C(=O)[O-])c1ccccc1OC(F)(F)F ZINC001573347290 962946761 /nfs/dbraw/zinc/94/67/61/962946761.db2.gz KJSKIHXSZCUJDP-IINYFYTJSA-N -1 0 345.317 3.429 20 30 EGEDRM C=CC(C)(C)CCCNC(=O)N1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001573347312 962947127 /nfs/dbraw/zinc/94/71/27/962947127.db2.gz KLVAWBWOFOJJBF-HXUWFJFHSA-N -1 0 344.455 3.417 20 30 EGEDRM C=CC[C@H](Cc1ccccc1)NC(=O)Nc1ccc(C(=O)[O-])nc1 ZINC001573350139 962966222 /nfs/dbraw/zinc/96/62/22/962966222.db2.gz CQYDQBZBGLALOL-CQSZACIVSA-N -1 0 325.368 3.089 20 30 EGEDRM C=CCC1(CNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CCCC1 ZINC001573352757 962992142 /nfs/dbraw/zinc/99/21/42/962992142.db2.gz JJXUJPGRFMXPMJ-UHFFFAOYSA-N -1 0 332.356 3.159 20 30 EGEDRM C=CCCC[C@@H](NC(=O)Nc1cc(C(=O)[O-])n(C)n1)c1ccccc1 ZINC001573357820 963021660 /nfs/dbraw/zinc/02/16/60/963021660.db2.gz SZQFSOUTPGZIKY-CQSZACIVSA-N -1 0 342.399 3.337 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1ccccc1Oc1cccnc1)C(=O)[O-] ZINC001573366962 963062509 /nfs/dbraw/zinc/06/25/09/963062509.db2.gz QNTDPIPAGPXRQB-INIZCTEOSA-N -1 0 340.379 3.413 20 30 EGEDRM C[C@H](C(=O)[O-])c1noc(-c2cccc(COc3ccc(C#N)cc3)c2)n1 ZINC001609718111 970495321 /nfs/dbraw/zinc/49/53/21/970495321.db2.gz KJERDUMYGUMLGG-LBPRGKRZSA-N -1 0 349.346 3.375 20 30 EGEDRM Cc1cc(C(=O)[O-])cc(C(=O)NC(C)(C)Cc2ccc(C#N)cc2)c1 ZINC001600108318 970760763 /nfs/dbraw/zinc/76/07/63/970760763.db2.gz RGFITMZUUBYJOI-UHFFFAOYSA-N -1 0 336.391 3.316 20 30 EGEDRM Cc1cc(C(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc(C)c1C#N ZINC001605122501 972783966 /nfs/dbraw/zinc/78/39/66/972783966.db2.gz KVHUUWWLBBQUFK-SJLPKXTDSA-N -1 0 334.375 3.218 20 30 EGEDRM N#CCc1ccc(NC(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC001605601610 973906542 /nfs/dbraw/zinc/90/65/42/973906542.db2.gz XMVBYXURVFADSA-IAGOWNOFSA-N -1 0 335.363 3.187 20 30 EGEDRM N#Cc1ccc(Oc2cccc(C(=O)Nc3n[nH]cc3C(=O)[O-])c2)cc1 ZINC001605611936 973922043 /nfs/dbraw/zinc/92/20/43/973922043.db2.gz HBMHTXVCXNPRCF-UHFFFAOYSA-N -1 0 348.318 3.024 20 30 EGEDRM O=C([O-])COc1ccc(/C=C2\COc3ccc(Cl)cc3C2=O)cc1 ZINC000588425483 974965180 /nfs/dbraw/zinc/96/51/80/974965180.db2.gz CBHMLTTWYHROIF-KPKJPENVSA-N -1 0 344.750 3.462 20 30 EGEDRM Cc1c(C(=O)/C=C\c2ccc(OCC(=O)[O-])cc2)cnn1C(C)(C)C ZINC000588559051 974965312 /nfs/dbraw/zinc/96/53/12/974965312.db2.gz IXPKBYVOLLDEDX-YFHOEESVSA-N -1 0 342.395 3.306 20 30 EGEDRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC001591769710 975896431 /nfs/dbraw/zinc/89/64/31/975896431.db2.gz WXKWUSLYCNIKCS-JSGCOSHPSA-N -1 0 345.399 3.376 20 30 EGEDRM CC(C)Oc1ccc(NC(=S)NN=C2CC(CC(=O)[O-])C2)cc1 ZINC001591788368 975972276 /nfs/dbraw/zinc/97/22/76/975972276.db2.gz DQZVMQAAJMNEME-UHFFFAOYSA-N -1 0 335.429 3.001 20 30 EGEDRM CC(C)c1cccc(-c2ccc(C(=O)N(CC#N)CC(=O)[O-])o2)c1 ZINC001591980174 976592156 /nfs/dbraw/zinc/59/21/56/976592156.db2.gz CJFGIGVSHVKACG-UHFFFAOYSA-N -1 0 326.352 3.120 20 30 EGEDRM C[C@@](CC(=O)[O-])(NC(=O)Nc1ccc(C#N)cc1C1CC1)C1CC1 ZINC001592290959 977619574 /nfs/dbraw/zinc/61/95/74/977619574.db2.gz WVXXXKCUMVOJSO-SFHVURJKSA-N -1 0 327.384 3.201 20 30 EGEDRM COc1ccc(C)cc1C(=O)/C=C\c1ccc(OCC(=O)[O-])cc1 ZINC000747168495 978686079 /nfs/dbraw/zinc/68/60/79/978686079.db2.gz NCODEAKCWVQWIZ-TWGQIWQCSA-N -1 0 326.348 3.363 20 30 EGEDRM O=C([O-])c1ccc(N=NCc2cccn2Cc2cccs2)nc1 ZINC000763369817 978722014 /nfs/dbraw/zinc/72/20/14/978722014.db2.gz JIDBUHPKPANSMR-UHFFFAOYSA-N -1 0 326.381 3.137 20 30 EGEDRM C[C@@H]1C(N=Nc2ncnc3sc4c(c32)CCC4)CC[C@H]1CC(=O)[O-] ZINC000814726100 978876738 /nfs/dbraw/zinc/87/67/38/978876738.db2.gz JTWUIISEBRYREO-UWVGGRQHSA-N -1 0 344.440 3.469 20 30 EGEDRM C[C@@H]1C(N=Nc2ccc(Br)cn2)CC[C@@H]1CC(=O)[O-] ZINC000814832550 978890961 /nfs/dbraw/zinc/89/09/61/978890961.db2.gz QROJUQQZHKZKOQ-DTWKUNHWSA-N -1 0 326.194 3.133 20 30 EGEDRM C[C@H]1C(N=Nc2ccc(Br)cn2)CC[C@@H]1CC(=O)[O-] ZINC000814832554 978891041 /nfs/dbraw/zinc/89/10/41/978891041.db2.gz QROJUQQZHKZKOQ-RKDXNWHRSA-N -1 0 326.194 3.133 20 30 EGEDRM CCN(C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)[C@H](C)c1ccc(C#N)cc1 ZINC000829591883 979003161 /nfs/dbraw/zinc/00/31/61/979003161.db2.gz ZWICHTBTUJDEHL-XYPHTWIQSA-N -1 0 328.412 3.359 20 30 EGEDRM C[C@H](Oc1ccc(C=NN[C@@H]2CCc3c2cccc3F)cc1)C(=O)[O-] ZINC000835022343 979245165 /nfs/dbraw/zinc/24/51/65/979245165.db2.gz ZSSZKACQVPXWGO-KPZWWZAWSA-N -1 0 342.370 3.289 20 30 EGEDRM C[C@@H]1C(N=Nc2cccc(Br)n2)CC[C@@H]1CC(=O)[O-] ZINC000835023724 979245644 /nfs/dbraw/zinc/24/56/44/979245644.db2.gz OHIYEGZNMULQNV-DTWKUNHWSA-N -1 0 326.194 3.133 20 30 EGEDRM CCC(CC)(CNC(=O)c1c(Cl)cc(C#N)cc1Cl)C(=O)[O-] ZINC001595073168 979346031 /nfs/dbraw/zinc/34/60/31/979346031.db2.gz FMRYOXZZPNYRNQ-UHFFFAOYSA-N -1 0 343.210 3.486 20 30 EGEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCCc2ccc(C(=O)[O-])cc21 ZINC001592834664 979578665 /nfs/dbraw/zinc/57/86/65/979578665.db2.gz UGULCMVFPSOQHU-AWEZNQCLSA-N -1 0 348.402 3.414 20 30 EGEDRM C=CC[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)C1 ZINC000857250810 979625846 /nfs/dbraw/zinc/62/58/46/979625846.db2.gz NUVUKONJDKITEM-NSHDSACASA-N -1 0 343.832 3.015 20 30 EGEDRM C[C@H](Cc1ccc(NC(=O)Cc2ccccc2CC#N)cc1)C(=O)[O-] ZINC001592857867 979667155 /nfs/dbraw/zinc/66/71/55/979667155.db2.gz AMXQCBGTTHOGLH-CQSZACIVSA-N -1 0 336.391 3.197 20 30 EGEDRM CC[C@](CNc1cc(C#N)sc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC001595172629 979744257 /nfs/dbraw/zinc/74/42/57/979744257.db2.gz JVMZXSQLYRAZLH-MRXNPFEDSA-N -1 0 345.380 3.372 20 30 EGEDRM CC[C@](NC(=O)c1ccc(Cl)c(C#N)c1)(C(=O)[O-])c1ccccc1 ZINC001595269193 980283657 /nfs/dbraw/zinc/28/36/57/980283657.db2.gz RNHCKKBRQXCAOE-GOSISDBHSA-N -1 0 342.782 3.332 20 30 EGEDRM CC[C@@H](OC(=O)c1cccc(COc2cccc(C#N)c2)c1)C(=O)[O-] ZINC001595351473 980657439 /nfs/dbraw/zinc/65/74/39/980657439.db2.gz FGWBDHYFCBXNTJ-QGZVFWFLSA-N -1 0 339.347 3.157 20 30 EGEDRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1ccc(C#N)s1 ZINC001595360717 980754596 /nfs/dbraw/zinc/75/45/96/980754596.db2.gz NCWQXMOVVAIZNJ-AWEZNQCLSA-N -1 0 328.393 3.298 20 30 EGEDRM C#CCC1(C(=O)Nc2ccc(OCC(=O)[O-])cc2C)CCCCC1 ZINC000909163817 981430023 /nfs/dbraw/zinc/43/00/23/981430023.db2.gz GPGGWDKZZLQCHJ-UHFFFAOYSA-N -1 0 329.396 3.371 20 30 EGEDRM CCCC[C@@H](ON=C(C)C)C(=O)Nc1ccc(OC)cc1C(=O)[O-] ZINC001595651799 982026782 /nfs/dbraw/zinc/02/67/82/982026782.db2.gz KPKYXZOVLCGONL-OAHLLOKOSA-N -1 0 336.388 3.303 20 30 EGEDRM CCCC[C@H](S[C@@H]1CCN(c2sccc2C#N)C1=O)C(=O)[O-] ZINC001595655872 982048534 /nfs/dbraw/zinc/04/85/34/982048534.db2.gz QCNJMWTUXLQDDM-NEPJUHHUSA-N -1 0 338.454 3.102 20 30 EGEDRM C=CCCC[C@@H](NC(=O)Cc1nc(-c2cccs2)oc1C)C(=O)[O-] ZINC000910915752 982162599 /nfs/dbraw/zinc/16/25/99/982162599.db2.gz QUMRLZYTFWIGBI-GFCCVEGCSA-N -1 0 348.424 3.180 20 30 EGEDRM CC[C@@H](C)[C@@H](NC(=O)c1ccc(C#Cc2ccccc2)cc1)C(=O)[O-] ZINC001594912794 982425490 /nfs/dbraw/zinc/42/54/90/982425490.db2.gz UPKWKUNGMNCVLV-DNVCBOLYSA-N -1 0 335.403 3.316 20 30 EGEDRM N#CC1(C(=O)NC[C@@H]2CCCc3ccc(C(=O)[O-])cc32)CC2(CC2)C1 ZINC000923094768 982719704 /nfs/dbraw/zinc/71/97/04/982719704.db2.gz SOGBZMBEJBLEOS-HNNXBMFYSA-N -1 0 338.407 3.005 20 30 EGEDRM CCCOc1ccc2c(c1)C(=O)/C(=C/c1ccc(C(=O)[O-])o1)CO2 ZINC001595965064 983165764 /nfs/dbraw/zinc/16/57/64/983165764.db2.gz FIXRRKWFTPZZLM-DHZHZOJOSA-N -1 0 328.320 3.425 20 30 EGEDRM C#C[C@H](NC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12)C(C)C ZINC001588374214 983342167 /nfs/dbraw/zinc/34/21/67/983342167.db2.gz RFGKSYMTDIVQSH-HNNXBMFYSA-N -1 0 340.379 3.083 20 30 EGEDRM C#CCC(CC#C)C(=O)O[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001588389751 983388365 /nfs/dbraw/zinc/38/83/65/983388365.db2.gz ABFLHOKRARNRIO-CQSZACIVSA-N -1 0 339.174 3.325 20 30 EGEDRM CCN(C(=O)[C@H]1CCCC[C@H]1C(=O)[O-])[C@H](C)c1ccc(C#N)cc1 ZINC001596157102 983517682 /nfs/dbraw/zinc/51/76/82/983517682.db2.gz XMRAMEQDNHVPRP-XOKHGSTOSA-N -1 0 328.412 3.359 20 30 EGEDRM CCN(C(=O)c1ccc(C2(C#N)CC2)cc1)c1ncc(C(=O)[O-])s1 ZINC001596167316 983532154 /nfs/dbraw/zinc/53/21/54/983532154.db2.gz OCEAAGRVDFJTNG-UHFFFAOYSA-N -1 0 341.392 3.063 20 30 EGEDRM C#CCOc1ccc(C(=O)O[C@H](C(=O)[O-])c2ccccc2Cl)cc1 ZINC001588497576 983539551 /nfs/dbraw/zinc/53/95/51/983539551.db2.gz OJWGFWFMKRADNO-INIZCTEOSA-N -1 0 344.750 3.335 20 30 EGEDRM C#Cc1ccc(CNC(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)cc1 ZINC001588517535 983565378 /nfs/dbraw/zinc/56/53/78/983565378.db2.gz UNCLPPLUOBQMHG-UHFFFAOYSA-N -1 0 333.347 3.169 20 30 EGEDRM C#Cc1ccc(NC(=O)NCC2(CC(=O)[O-])CCCC2)c(Cl)c1 ZINC001588518253 983568905 /nfs/dbraw/zinc/56/89/05/983568905.db2.gz XWYRDRPKKWLGDU-UHFFFAOYSA-N -1 0 334.803 3.478 20 30 EGEDRM C=C(C)[C@@H](CC(=O)O[C@H](C(=O)[O-])c1ccc(Cl)cc1)OCC ZINC001588535334 983588625 /nfs/dbraw/zinc/58/86/25/983588625.db2.gz MSBUSXIYMLVHOB-HIFRSBDPSA-N -1 0 326.776 3.380 20 30 EGEDRM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001588536083 983592135 /nfs/dbraw/zinc/59/21/35/983592135.db2.gz OKDJQARQQSKGPE-HZMBPMFUSA-N -1 0 338.791 3.141 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)c1cc2cccc(C)c2nc1Cl)C(=O)[O-] ZINC001588546431 983615572 /nfs/dbraw/zinc/61/55/72/983615572.db2.gz KZNAKYHLUWIMDS-CYBMUJFWSA-N -1 0 332.787 3.346 20 30 EGEDRM C=C(C)Cn1c([C@@H]2C[C@H]2C)nnc1N1CCC[C@H](CCC(=O)[O-])C1 ZINC001588592238 983676303 /nfs/dbraw/zinc/67/63/03/983676303.db2.gz UKVCSJPTXSLSQZ-RBSFLKMASA-N -1 0 332.448 3.059 20 30 EGEDRM C=C(C)c1cccc(NC(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)c1 ZINC001588605184 983691351 /nfs/dbraw/zinc/69/13/51/983691351.db2.gz CBKZMNFJTDRNOS-UHFFFAOYSA-N -1 0 328.372 3.380 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N1CC(Cc2ccc(C(F)(F)F)cc2)C1 ZINC001588611863 983701170 /nfs/dbraw/zinc/70/11/70/983701170.db2.gz AUFZBNAQPQFKPD-UHFFFAOYSA-N -1 0 341.329 3.127 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC001588614994 983709477 /nfs/dbraw/zinc/70/94/77/983709477.db2.gz GWVWJLNMFMMWTB-CYBMUJFWSA-N -1 0 344.436 3.423 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)NC[C@H](CC)Oc1ccccc1Cl ZINC001588623432 983728028 /nfs/dbraw/zinc/72/80/28/983728028.db2.gz PUFJCQZRKRKOHZ-LBPRGKRZSA-N -1 0 325.792 3.035 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1cnn(-c2ccccc2)c1C(F)F ZINC001588634559 983753327 /nfs/dbraw/zinc/75/33/27/983753327.db2.gz XJYBMVYHMWKUTD-UHFFFAOYSA-N -1 0 335.310 3.169 20 30 EGEDRM C=C1CCC(CNC(=O)N2CCc3ccc(C(=O)[O-])cc3C2)CC1 ZINC001588650057 983771568 /nfs/dbraw/zinc/77/15/68/983771568.db2.gz VRDCHPVPEQAAHY-UHFFFAOYSA-N -1 0 328.412 3.199 20 30 EGEDRM C=C1CCC(CNC(=O)Nc2ccc(C(=O)[O-])c(C(=O)OC)c2)CC1 ZINC001588650104 983771993 /nfs/dbraw/zinc/77/19/93/983771993.db2.gz YHFOBIBECZHMLF-UHFFFAOYSA-N -1 0 346.383 3.039 20 30 EGEDRM C=C[C@H](C(=O)N[C@H](C(=O)[O-])c1cc(F)ccc1F)c1ccccc1 ZINC001588663749 983796746 /nfs/dbraw/zinc/79/67/46/983796746.db2.gz KJGDORMVYDYLBD-BBRMVZONSA-N -1 0 331.318 3.177 20 30 EGEDRM C=C[C@@H](C(=O)NC[C@H](Cc1cccc(F)c1)C(=O)[O-])c1ccccc1 ZINC001588664265 983799529 /nfs/dbraw/zinc/79/95/29/983799529.db2.gz PDTFXJFXXFYHFY-FUHWJXTLSA-N -1 0 341.382 3.155 20 30 EGEDRM C=CC(C)(C)CCNC(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC001588676836 983831224 /nfs/dbraw/zinc/83/12/24/983831224.db2.gz DSUYUALEWWGDFE-UHFFFAOYSA-N -1 0 340.217 3.479 20 30 EGEDRM C=C[C@@H](Sc1nnc(-c2ccncc2)n1-c1ccccc1)C(=O)[O-] ZINC001588714201 983950743 /nfs/dbraw/zinc/95/07/43/983950743.db2.gz BKDZKHQFXUYSTF-CQSZACIVSA-N -1 0 338.392 3.061 20 30 EGEDRM C=CC1CCN(S(=O)(=O)c2cccc3c(C(=O)[O-])cccc32)CC1 ZINC001588720171 983964719 /nfs/dbraw/zinc/96/47/19/983964719.db2.gz LYCOLWLWIDCPRT-UHFFFAOYSA-N -1 0 345.420 3.125 20 30 EGEDRM C=CC[C@H](C(=O)Nc1cc(C(=O)[O-])cc(OC)c1O)c1ccccc1 ZINC001588721553 983972388 /nfs/dbraw/zinc/97/23/88/983972388.db2.gz PNQHWADKMUKOLU-AWEZNQCLSA-N -1 0 341.363 3.397 20 30 EGEDRM C=CCC(F)(F)C(=O)N[C@@](C)(Cc1ccc(Cl)cc1)C(=O)[O-] ZINC001588742554 984033272 /nfs/dbraw/zinc/03/32/72/984033272.db2.gz GIAPWAGPQYAIDZ-AWEZNQCLSA-N -1 0 331.746 3.053 20 30 EGEDRM C=CCC(F)(F)C(=O)OCc1cc(Br)ccc1C(=O)[O-] ZINC001588743086 984035839 /nfs/dbraw/zinc/03/58/39/984035839.db2.gz RBUVYHRDZANQME-UHFFFAOYSA-N -1 0 349.127 3.402 20 30 EGEDRM C=CC[C@H](NC(=O)c1cc(C(=O)[O-])ccc1Cl)c1ccncc1 ZINC001588743463 984037204 /nfs/dbraw/zinc/03/72/04/984037204.db2.gz XINPGRHSROYAON-HNNXBMFYSA-N -1 0 330.771 3.480 20 30 EGEDRM C=CC[C@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1N)C(=O)[O-] ZINC001588758751 984107403 /nfs/dbraw/zinc/10/74/03/984107403.db2.gz JHAVSXNSQSEOBI-ZDUSSCGKSA-N -1 0 346.456 3.078 20 30 EGEDRM C=CC[C@H](Sc1nnc(Nc2ccccc2OC)s1)C(=O)[O-] ZINC001588761740 984114344 /nfs/dbraw/zinc/11/43/44/984114344.db2.gz AXNXZRWJXICRMJ-NSHDSACASA-N -1 0 337.426 3.412 20 30 EGEDRM C=CCC1(C(=O)N2CCC[C@@H](c3ncc(C(=O)[O-])s3)C2)CCC1 ZINC001588762686 984116828 /nfs/dbraw/zinc/11/68/28/984116828.db2.gz LNBBKNPZTOWSIM-GFCCVEGCSA-N -1 0 334.441 3.294 20 30 EGEDRM C=CCC1(NC(=O)NCc2ccc(Cl)c(C(=O)[O-])n2)CCCC1 ZINC001588766961 984127099 /nfs/dbraw/zinc/12/70/99/984127099.db2.gz AOFSAPKKTYNQOR-UHFFFAOYSA-N -1 0 337.807 3.121 20 30 EGEDRM C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001588771724 984141172 /nfs/dbraw/zinc/14/11/72/984141172.db2.gz YSKCIARQJLQAFT-NHYWBVRUSA-N -1 0 332.356 3.158 20 30 EGEDRM C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001588771723 984141321 /nfs/dbraw/zinc/14/13/21/984141321.db2.gz YSKCIARQJLQAFT-IAQYHMDHSA-N -1 0 332.356 3.158 20 30 EGEDRM C=CCCC(C)(C)CNC(=O)N1CCOc2cc(C(=O)[O-])ccc2C1 ZINC001588776821 984153643 /nfs/dbraw/zinc/15/36/43/984153643.db2.gz IJEUMGDTPOACSF-UHFFFAOYSA-N -1 0 346.427 3.281 20 30 EGEDRM C=CCCCC(=O)N(CC(=O)[O-])Cc1ccc(C(F)(F)F)cc1 ZINC001588781781 984167851 /nfs/dbraw/zinc/16/78/51/984167851.db2.gz HBCATWRMKGSMOO-UHFFFAOYSA-N -1 0 329.318 3.475 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1cc(C)sc1-n1cccc1)C(=O)[O-] ZINC001588793390 984218850 /nfs/dbraw/zinc/21/88/50/984218850.db2.gz XAOCWUVZSPGBFT-AWEZNQCLSA-N -1 0 332.425 3.387 20 30 EGEDRM C=CCCC[C@@H](NC(=O)Cc1coc2c1ccc(OC)c2C)C(=O)[O-] ZINC001588794105 984225000 /nfs/dbraw/zinc/22/50/00/984225000.db2.gz LKPAZWZABUFBST-OAHLLOKOSA-N -1 0 345.395 3.218 20 30 EGEDRM C=CCCCCCN(C)C(=O)NCc1ccc(Cl)c(C(=O)[O-])n1 ZINC001588800024 984243788 /nfs/dbraw/zinc/24/37/88/984243788.db2.gz WRTAZNOLAPCNMK-UHFFFAOYSA-N -1 0 339.823 3.321 20 30 EGEDRM C=CCN(C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1)[C@H](C)COC ZINC001588820816 984286989 /nfs/dbraw/zinc/28/69/89/984286989.db2.gz UNHCUONUQLZWAB-SECBINFHSA-N -1 0 344.770 3.232 20 30 EGEDRM C=CCOC[C@H](NC(=O)c1ccc(C(C)(C)C)c(Cl)c1)C(=O)[O-] ZINC001588859765 984408129 /nfs/dbraw/zinc/40/81/29/984408129.db2.gz WIHVLDGKLXKJGG-AWEZNQCLSA-N -1 0 339.819 3.023 20 30 EGEDRM C=CCOc1ccc(CC(=O)Oc2ccc(CC(=O)[O-])cc2)cc1 ZINC001588874171 984447972 /nfs/dbraw/zinc/44/79/72/984447972.db2.gz ZDSOOVZZEDBROJ-UHFFFAOYSA-N -1 0 326.348 3.027 20 30 EGEDRM C=CCOc1ccc(CC(=O)Nc2ccc(C(=O)[O-])c(C)c2)cc1 ZINC001588874181 984448050 /nfs/dbraw/zinc/44/80/50/984448050.db2.gz ZISOEYAZMNHHAQ-UHFFFAOYSA-N -1 0 325.364 3.439 20 30 EGEDRM C=CCOc1ccccc1CNCc1ccccc1O[C@H](C)C(=O)[O-] ZINC001588877369 984452873 /nfs/dbraw/zinc/45/28/73/984452873.db2.gz KFEFFVVGXVNDKI-OAHLLOKOSA-N -1 0 341.407 3.393 20 30 EGEDRM C=CCOc1ccccc1C(=O)OCc1nc(C)c(C(=O)[O-])s1 ZINC001588877430 984453248 /nfs/dbraw/zinc/45/32/48/984453248.db2.gz OXYRNXWQLRJBMA-UHFFFAOYSA-N -1 0 333.365 3.072 20 30 EGEDRM CCOC(=O)[C@H]1C/C(=C/c2cc(C(=O)[O-])co2)C(=O)c2ccccc21 ZINC001596568825 984456899 /nfs/dbraw/zinc/45/68/99/984456899.db2.gz OKJBKAZOIRAORS-UBAGTECSSA-N -1 0 340.331 3.295 20 30 EGEDRM C=CCSc1ccccc1NC(=O)CN1CC[C@@H](C(=O)[O-])C[C@H]1C ZINC001588879594 984458350 /nfs/dbraw/zinc/45/83/50/984458350.db2.gz GYAVVWRYPNZWPC-ZIAGYGMSSA-N -1 0 348.468 3.088 20 30 EGEDRM C=CCn1c(-c2ccccc2C)nnc1N1CCC[C@](C)(C(=O)[O-])C1 ZINC001588889636 984480703 /nfs/dbraw/zinc/48/07/03/984480703.db2.gz ZOGKOKRHVQOPCP-IBGZPJMESA-N -1 0 340.427 3.131 20 30 EGEDRM C=CCn1c(C2CCCCC2)nnc1N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001588897600 984511499 /nfs/dbraw/zinc/51/14/99/984511499.db2.gz RZEDFMHDXOTJBD-GOSISDBHSA-N -1 0 332.448 3.203 20 30 EGEDRM C=CCn1c(SCC(C)(C)C(=O)[O-])nnc1-c1ccccc1OC ZINC001588907421 984539513 /nfs/dbraw/zinc/53/95/13/984539513.db2.gz MIGRHRJETGQNIM-UHFFFAOYSA-N -1 0 347.440 3.343 20 30 EGEDRM C/C(=C\CN(Cc1cccc(C(F)(F)F)c1)[C@@H](C)C#N)C(=O)[O-] ZINC001588958854 984715670 /nfs/dbraw/zinc/71/56/70/984715670.db2.gz SVWSCGDUADRXEO-BCMYLCSRSA-N -1 0 326.318 3.450 20 30 EGEDRM CC(=NN[C@H](C)CCc1ccc2c(c1)OCO2)c1cc(C(=O)[O-])co1 ZINC001589017030 984999361 /nfs/dbraw/zinc/99/93/61/984999361.db2.gz SMZFRHKVHBGZLR-LLVKDONJSA-N -1 0 344.367 3.041 20 30 EGEDRM CC(=NOCc1cc(C(C)(C)C)on1)c1ccc(OCC(=O)[O-])cc1 ZINC001589021008 985008763 /nfs/dbraw/zinc/00/87/63/985008763.db2.gz IZBNFHDBYCAPMC-UHFFFAOYSA-N -1 0 346.383 3.376 20 30 EGEDRM Cc1[nH]c(C(=O)N(Cc2ccc(C#N)cc2)C(C)C)c(C)c1C(=O)[O-] ZINC001599950215 985595814 /nfs/dbraw/zinc/59/58/14/985595814.db2.gz FIEJFXPSNZXJNH-UHFFFAOYSA-N -1 0 339.395 3.252 20 30 EGEDRM Cc1[nH]c2ccccc2c1C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001599966772 985920462 /nfs/dbraw/zinc/92/04/62/985920462.db2.gz ZKEPTOAUAGLHKT-QGZVFWFLSA-N -1 0 334.331 3.331 20 30 EGEDRM C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)CC1(C(=O)[O-])CC1 ZINC001589331616 986188581 /nfs/dbraw/zinc/18/85/81/986188581.db2.gz JRSJLZGYRCTMMP-NSHDSACASA-N -1 0 326.318 3.284 20 30 EGEDRM Cc1c2cc(C#N)ccc2sc1C(=O)Nc1ccc(C(=O)[O-])nc1 ZINC001599983591 986198640 /nfs/dbraw/zinc/19/86/40/986198640.db2.gz IWDVETLENHJODO-UHFFFAOYSA-N -1 0 337.360 3.427 20 30 EGEDRM C[C@@H](C#N)Oc1ccc(CN(C)c2ccc(OCC(=O)[O-])cc2)cc1 ZINC001589334546 986203139 /nfs/dbraw/zinc/20/31/39/986203139.db2.gz GJUYQIDCAMVWQN-AWEZNQCLSA-N -1 0 340.379 3.077 20 30 EGEDRM CCOc1c(OC)cc(/C=C\C(=O)c2cc(C(=O)[O-])co2)cc1OC ZINC001596991583 986269790 /nfs/dbraw/zinc/26/97/90/986269790.db2.gz OEYYEIBKDRFHHB-WAYWQWQTSA-N -1 0 346.335 3.290 20 30 EGEDRM CCOc1ccc(C[C@@H](CNc2cc(C#N)cc(C)n2)C(=O)[O-])cc1 ZINC001597095771 986696024 /nfs/dbraw/zinc/69/60/24/986696024.db2.gz ODXZFJRPMIUZPX-INIZCTEOSA-N -1 0 339.395 3.016 20 30 EGEDRM CC[C@@H](C#N)C(=O)N(C)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001594722082 987208671 /nfs/dbraw/zinc/20/86/71/987208671.db2.gz ICOLDQOJBBDQCU-QPUJVOFHSA-N -1 0 329.183 3.127 20 30 EGEDRM CC(C)(C#N)CC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC001589553666 987292641 /nfs/dbraw/zinc/29/26/41/987292641.db2.gz FTQQKVXJONZZKM-UHFFFAOYSA-N -1 0 326.352 3.182 20 30 EGEDRM C[C@@H]1Cc2ccccc2N(C(=O)c2sccc2CC#N)[C@@H]1C(=O)[O-] ZINC001599880461 989477303 /nfs/dbraw/zinc/47/73/03/989477303.db2.gz OSHOFJFQYCDNRY-ABAIWWIYSA-N -1 0 340.404 3.106 20 30 EGEDRM CC(C)(C)O[C@H]1C[C@H](Nc2ccc(C(=O)[O-])nc2C#N)C12CCC2 ZINC001590379711 989892870 /nfs/dbraw/zinc/89/28/70/989892870.db2.gz ZEMHIVPIIOHAKM-GJZGRUSLSA-N -1 0 329.400 3.190 20 30 EGEDRM CC(C)[C@H](Oc1ccccc1C#N)C(=O)Oc1cccc(C(=O)[O-])c1 ZINC001591052398 991459023 /nfs/dbraw/zinc/45/90/23/991459023.db2.gz QPIHLBXHVOKZRX-KRWDZBQOSA-N -1 0 339.347 3.265 20 30 EGEDRM CN(Cc1ccc(C#N)cc1)c1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-] ZINC001598509268 992548615 /nfs/dbraw/zinc/54/86/15/992548615.db2.gz MZDADSZXEBUIAV-UHFFFAOYSA-N -1 0 345.742 3.454 20 30 EGEDRM COc1ccc2c(c1)C(=NOCc1ccc(C(=O)[O-])c(F)c1)CCO2 ZINC001599626008 994149829 /nfs/dbraw/zinc/14/98/29/994149829.db2.gz OLPIHVDYEDRQQW-UHFFFAOYSA-N -1 0 345.326 3.236 20 30 EGEDRM COc1ccc2ncc(C#N)c(OCc3cccc(C(=O)[O-])c3)c2c1 ZINC001599638198 994319851 /nfs/dbraw/zinc/31/98/51/994319851.db2.gz XMZSYSDFMPEJCK-UHFFFAOYSA-N -1 0 334.331 3.392 20 30 EGEDRM CNc1ccc(Cl)c(C(=O)OCc2cccc(C(=O)[O-])c2C#N)c1 ZINC001598680226 994915472 /nfs/dbraw/zinc/91/54/72/994915472.db2.gz XAWYBQZMTRBFOP-UHFFFAOYSA-N -1 0 344.754 3.309 20 30 EGEDRM C[C@H](OC(=O)[C@]1(C(=O)[O-])C[C@@H]1c1ccccc1)c1ccc(C#N)cc1 ZINC001593491281 995460964 /nfs/dbraw/zinc/46/09/64/995460964.db2.gz MCDSBOOTCNQLCQ-WSXQUGQNSA-N -1 0 335.359 3.421 20 30 EGEDRM C[C@H](OC(=O)c1ccc(C2(C#N)CC2)cc1)c1cc(C(=O)[O-])co1 ZINC001593578931 995691192 /nfs/dbraw/zinc/69/11/92/995691192.db2.gz OFDYZXCJJPBNNE-NSHDSACASA-N -1 0 325.320 3.451 20 30 EGEDRM CC(C)n1cc(C(=O)/C=C\c2ccccc2O[C@H](C)C(=O)[O-])cn1 ZINC001593645647 995976865 /nfs/dbraw/zinc/97/68/65/995976865.db2.gz SRJYBPQFLCWNNY-LJTDUEICSA-N -1 0 328.368 3.212 20 30 EGEDRM C[C@H](Sc1ccccc1C(=O)Nc1cccc(C#N)c1)C(=O)[O-] ZINC001593672761 996078569 /nfs/dbraw/zinc/07/85/69/996078569.db2.gz XPFJBFXJNQPNID-NSHDSACASA-N -1 0 326.377 3.376 20 30 EGEDRM C[C@]1(C(=O)[O-])CCCN(C(=O)c2c(Cl)cc(C#N)cc2Cl)C1 ZINC001593773143 996470579 /nfs/dbraw/zinc/47/05/79/996470579.db2.gz ROGCGVXJWMRKGS-HNNXBMFYSA-N -1 0 341.194 3.192 20 30 EGEDRM COc1cc(NC(=O)[C@H](C#N)CCc2ccccc2)ccc1C(=O)[O-] ZINC001599430399 997749212 /nfs/dbraw/zinc/74/92/12/997749212.db2.gz WOSZOIHDVCSYRO-AWEZNQCLSA-N -1 0 338.363 3.104 20 30 EGEDRM COc1cc(C(=O)/C=C/c2cccc(C(=O)[O-])n2)ccc1OC(F)F ZINC001599350158 998078566 /nfs/dbraw/zinc/07/85/66/998078566.db2.gz XIQRWZNVYHVWOK-VOTSOKGWSA-N -1 0 349.289 3.286 20 30 EGEDRM COC(=O)c1cc(OCCCCC2(C#N)CCC2)cc(C(=O)[O-])c1 ZINC001598949499 998121546 /nfs/dbraw/zinc/12/15/46/998121546.db2.gz JVVUWGLHCZCMRV-UHFFFAOYSA-N -1 0 331.368 3.414 20 30 EGEDRM COC(=O)c1cccc(CNc2cc(Cl)cc(C(=O)[O-])c2)c1C#N ZINC001598994714 998768900 /nfs/dbraw/zinc/76/89/00/998768900.db2.gz VKRLVFKCJNVVNI-UHFFFAOYSA-N -1 0 344.754 3.309 20 30 EGEDRM C[C@@H]1CC[C@](NC(=O)c2cc(C#N)cs2)(C(=O)[O-])c2ccccc21 ZINC001594315139 999219936 /nfs/dbraw/zinc/21/99/36/999219936.db2.gz UEXGWGPNWIGOCV-ADLMAVQZSA-N -1 0 340.404 3.227 20 30 EGEDRM O=C(Cc1ccc(F)cc1)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000046708852 213806648 /nfs/dbraw/zinc/80/66/48/213806648.db2.gz BAGAPPYMHWWPRR-UHFFFAOYSA-N -1 0 327.764 3.367 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2cnn(C)c2-n2c(C)ccc2C)n1 ZINC000066504220 215050315 /nfs/dbraw/zinc/05/03/15/215050315.db2.gz GIOOXYOBJRYUQA-ZDUSSCGKSA-N -1 0 339.424 3.083 20 30 EGEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cc(C2CCCC2)nn1C ZINC000181109218 234089495 /nfs/dbraw/zinc/08/94/95/234089495.db2.gz AXZDNMJGOYZNKB-UHFFFAOYSA-N -1 0 344.440 3.059 20 30 EGEDRM C#Cc1cccc([N-]S(=O)(=O)c2ccc(Br)s2)c1 ZINC000022475069 212301039 /nfs/dbraw/zinc/30/10/39/212301039.db2.gz UPKYQCSQWHHTOT-UHFFFAOYSA-N -1 0 342.239 3.293 20 30 EGEDRM Cc1cc(C)c(C#N)c(SCc2nc(=O)c3sccc3[n-]2)n1 ZINC000022107308 212276246 /nfs/dbraw/zinc/27/62/46/212276246.db2.gz SCKSYVJMZQKANB-UHFFFAOYSA-N -1 0 328.422 3.160 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)N[C@H](C)Cc2ccccc2C)cc1C#N ZINC000341854491 241637594 /nfs/dbraw/zinc/63/75/94/241637594.db2.gz NIYVKXNTLNBALO-GFCCVEGCSA-N -1 0 341.436 3.050 20 30 EGEDRM CC[C@H](C)n1ncc([N-]S(=O)(=O)c2ccc(C#N)cc2C)c1C ZINC000359647017 141397236 /nfs/dbraw/zinc/39/72/36/141397236.db2.gz LGGYFUZNTUZSAV-LBPRGKRZSA-N -1 0 332.429 3.143 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2nc3c(s2)CCCC3)ccc1C#N ZINC000336866893 154222708 /nfs/dbraw/zinc/22/27/08/154222708.db2.gz YGZVMLYWGGFLDX-UHFFFAOYSA-N -1 0 333.438 3.003 20 30 EGEDRM Cc1nc(=NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)s[n-]1 ZINC000362127542 157035348 /nfs/dbraw/zinc/03/53/48/157035348.db2.gz AOABMSIHZOPETK-UHFFFAOYSA-N -1 0 336.376 3.185 20 30 EGEDRM Cc1cnc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)s1 ZINC000337143912 163143375 /nfs/dbraw/zinc/14/33/75/163143375.db2.gz VZGNSGBHHRDVPJ-UHFFFAOYSA-N -1 0 347.343 3.143 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(Oc3ccccn3)c2)o1 ZINC000340962097 163703280 /nfs/dbraw/zinc/70/32/80/163703280.db2.gz ITNMHWIEDWUOPA-UHFFFAOYSA-N -1 0 341.348 3.139 20 30 EGEDRM COc1ccc(CCC(=O)[O-])cc1NCc1ccc(C#N)c(OC)c1 ZINC000417625447 269775471 /nfs/dbraw/zinc/77/54/71/269775471.db2.gz MEJVHMJXPHEQNH-UHFFFAOYSA-N -1 0 340.379 3.205 20 30 EGEDRM Cc1ocnc1C([O-])=C(C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000105763044 264983471 /nfs/dbraw/zinc/98/34/71/264983471.db2.gz WIXHCTMWZBRCFP-ZDUSSCGKSA-N -1 0 334.360 3.468 20 30 EGEDRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1nn(C(C)C)cc1C#N ZINC000414369219 270047054 /nfs/dbraw/zinc/04/70/54/270047054.db2.gz DHOUKPDKOISFSQ-UHFFFAOYSA-N -1 0 338.820 3.098 20 30 EGEDRM N#Cc1cc(NS(=O)(=O)c2ccccc2)ccc1OC(F)(F)F ZINC000442249780 270052065 /nfs/dbraw/zinc/05/20/65/270052065.db2.gz JVZUQFFIQOMIHB-UHFFFAOYSA-N -1 0 342.298 3.258 20 30 EGEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(Cl)ccc1C#N ZINC000180732451 267312032 /nfs/dbraw/zinc/31/20/32/267312032.db2.gz UZIRWXZJMDJPAR-UHFFFAOYSA-N -1 0 331.784 3.193 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2nc(C(C)(C)C)cs2)ccc1C#N ZINC000319982463 267359998 /nfs/dbraw/zinc/35/99/98/267359998.db2.gz MDZNQOMTLCOUCT-UHFFFAOYSA-N -1 0 335.454 3.422 20 30 EGEDRM N#Cc1ccc(C(=O)[O-])nc1/C=C\c1ncc(C(F)(F)F)s1 ZINC000432706139 268207689 /nfs/dbraw/zinc/20/76/89/268207689.db2.gz KRIMICNGUIBNEG-ARJAWSKDSA-N -1 0 325.271 3.297 20 30 EGEDRM N#Cc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)c1 ZINC000461338175 268282453 /nfs/dbraw/zinc/28/24/53/268282453.db2.gz GHHBLYGNGSKMNT-UHFFFAOYSA-N -1 0 332.328 3.439 20 30 EGEDRM N#Cc1cccc([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)c1 ZINC000499521186 268282725 /nfs/dbraw/zinc/28/27/25/268282725.db2.gz WQGJIOIRJISUJO-UHFFFAOYSA-N -1 0 341.417 3.483 20 30 EGEDRM CC(C)n1cc2cc([N-]S(=O)(=O)c3ccccc3C#N)ccc2n1 ZINC000438756756 269639140 /nfs/dbraw/zinc/63/91/40/269639140.db2.gz QIUODAGOGBECKC-UHFFFAOYSA-N -1 0 340.408 3.290 20 30 EGEDRM Cc1cc(Cl)c2ncc(C#N)c(N3CCC[C@@H](C(=O)[O-])C3)c2c1 ZINC000263376407 301285753 /nfs/dbraw/zinc/28/57/53/301285753.db2.gz BNLMWFWSFGNARP-LLVKDONJSA-N -1 0 329.787 3.369 20 30 EGEDRM N#Cc1cnc2c(F)ccc(Cl)c2c1N1CCC[C@@H](C(=O)[O-])C1 ZINC000263400108 303213525 /nfs/dbraw/zinc/21/35/25/303213525.db2.gz ITSDAZGXGWZMJX-SECBINFHSA-N -1 0 333.750 3.200 20 30 EGEDRM CC(C)COc1ccc(S(=O)(=O)[N-]c2ccccc2C#N)cc1 ZINC000074934830 307397177 /nfs/dbraw/zinc/39/71/77/307397177.db2.gz VHZBGFXSMIISQM-UHFFFAOYSA-N -1 0 330.409 3.394 20 30 EGEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ncccc1-c1ccccc1 ZINC000092389304 307465449 /nfs/dbraw/zinc/46/54/49/307465449.db2.gz WBWHVSXLGADZIL-UHFFFAOYSA-N -1 0 349.415 3.151 20 30 EGEDRM C=C(C)[C@@H](NC(=O)N(C)CCCC(=O)[O-])c1ccc(F)c(F)c1 ZINC000414648411 458325062 /nfs/dbraw/zinc/32/50/62/458325062.db2.gz UIJHVYXZUKUILT-OAHLLOKOSA-N -1 0 326.343 3.088 20 30 EGEDRM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C#N)cc1C ZINC000180733333 455236148 /nfs/dbraw/zinc/23/61/48/455236148.db2.gz OEZCQXMYNWHNDN-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM N#Cc1cc([N+](=O)[O-])ccc1NC(=O)CC1(C(=O)[O-])CCCCCC1 ZINC000013469576 453465557 /nfs/dbraw/zinc/46/55/57/453465557.db2.gz DWTOSHZWXWLCQY-UHFFFAOYSA-N -1 0 345.355 3.220 20 30 EGEDRM C[C@H]1CN(c2c(C#N)cnc3c(F)c(F)c(F)cc32)CC[C@@H]1C(=O)[O-] ZINC000600801464 460609886 /nfs/dbraw/zinc/60/98/86/460609886.db2.gz QIGSJQGIALEHSQ-WPRPVWTQSA-N -1 0 349.312 3.071 20 30 EGEDRM C[C@H]1CN(c2c(C#N)cnc3c(F)ccc(Cl)c32)CC[C@H]1C(=O)[O-] ZINC000600800921 460610004 /nfs/dbraw/zinc/61/00/04/460610004.db2.gz NUSZUUVKUKVFGL-GXSJLCMTSA-N -1 0 347.777 3.446 20 30 EGEDRM N#Cc1nc(NC(=O)c2sc3cc(F)ccc3c2Cl)[n-]c1C#N ZINC000026272792 453795495 /nfs/dbraw/zinc/79/54/95/453795495.db2.gz VRWHHVNZBYPUGE-UHFFFAOYSA-N -1 0 345.746 3.413 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)N(C)[C@H](C)c2cccs2)cc1C#N ZINC000027608605 453819575 /nfs/dbraw/zinc/81/95/75/453819575.db2.gz XQKHLPXOOOFULF-SECBINFHSA-N -1 0 333.438 3.275 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)N[C@H](c2ccccc2)C2CC2)cc1C#N ZINC000031913325 453857865 /nfs/dbraw/zinc/85/78/65/453857865.db2.gz OSLZUNJHSGMLBC-OAHLLOKOSA-N -1 0 339.420 3.262 20 30 EGEDRM CCC(CC)CN(CCC#N)C(=O)CSc1n[n-]c(=S)s1 ZINC000081686062 453903303 /nfs/dbraw/zinc/90/33/03/453903303.db2.gz VQGHCEOHWIXSKS-UHFFFAOYSA-N -1 0 344.531 3.097 20 30 EGEDRM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2ccc(C#N)cc2F)n[nH]1 ZINC000159875811 455410935 /nfs/dbraw/zinc/41/09/35/455410935.db2.gz DLKRIRSBZZJFRJ-JTQLQIEISA-N -1 0 336.392 3.125 20 30 EGEDRM Cc1ccc([N+](=O)[O-])c(C([O-])=C(C#N)c2cnc3ccccc3n2)c1 ZINC000190887295 455398502 /nfs/dbraw/zinc/39/85/02/455398502.db2.gz NRLRCSLGKHAQFG-CYBMUJFWSA-N -1 0 332.319 3.337 20 30 EGEDRM N#CC(=C([O-])c1noc2c1CCCCC2)c1cnc2ccccc2n1 ZINC000190944502 455411716 /nfs/dbraw/zinc/41/17/16/455411716.db2.gz LLYJFRWBBDVSCJ-CYBMUJFWSA-N -1 0 332.363 3.377 20 30 EGEDRM CCCCS[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000058225145 454172545 /nfs/dbraw/zinc/17/25/45/454172545.db2.gz QZSBXKJXLBJGQN-LLVKDONJSA-N -1 0 326.443 3.125 20 30 EGEDRM C=C[C@@H](CC(=O)[N-]S(=O)(=O)c1c(C)noc1C)c1ccccc1 ZINC000095443014 454213878 /nfs/dbraw/zinc/21/38/78/454213878.db2.gz ZADSMTNUQINCQT-ZDUSSCGKSA-N -1 0 334.397 3.297 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2cn(C)nc2-c2cccs2)n1 ZINC000130900463 454224818 /nfs/dbraw/zinc/22/48/18/454224818.db2.gz GROFGCIWVFSCJO-JTQLQIEISA-N -1 0 328.422 3.404 20 30 EGEDRM CC(C)n1cnc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)c1 ZINC000131636946 454271070 /nfs/dbraw/zinc/27/10/70/454271070.db2.gz USZWNGNQMAPKRM-UHFFFAOYSA-N -1 0 332.429 3.066 20 30 EGEDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc(CC#N)cc2)cc1C ZINC000060442550 454289798 /nfs/dbraw/zinc/28/97/98/454289798.db2.gz XANDMHYYYCKJRQ-UHFFFAOYSA-N -1 0 345.380 3.079 20 30 EGEDRM CC(C)(C)c1ncc(C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)s1 ZINC000063235002 454397600 /nfs/dbraw/zinc/39/76/00/454397600.db2.gz GRPIMBGGHCAPFF-UHFFFAOYSA-N -1 0 349.437 3.006 20 30 EGEDRM Cc1c(Cl)cc(S(=O)(=O)[N-]c2ncccc2C#N)cc1Cl ZINC000097164893 454421069 /nfs/dbraw/zinc/42/10/69/454421069.db2.gz DPDDKNOPAPDVBJ-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)C=Cc1cccc(C#N)c1 ZINC000048426271 454487740 /nfs/dbraw/zinc/48/77/40/454487740.db2.gz PKAVPNJMFYKUNO-KTKRTIGZSA-N -1 0 326.377 3.225 20 30 EGEDRM CC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000048514156 454495458 /nfs/dbraw/zinc/49/54/58/454495458.db2.gz KOXNXBJZNBJVES-MRVPVSSYSA-N -1 0 334.319 3.268 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)Nc2ccc3ccccc3n2)cc1C#N ZINC000074344816 454568010 /nfs/dbraw/zinc/56/80/10/454568010.db2.gz PJYMMTCECMJWRO-UHFFFAOYSA-N -1 0 336.376 3.181 20 30 EGEDRM C=CCN=c1[n-]nc(SCc2cccnc2C(F)(F)F)s1 ZINC000629085960 460644843 /nfs/dbraw/zinc/64/48/43/460644843.db2.gz GBBSQBMVYYPRMA-UHFFFAOYSA-N -1 0 332.376 3.264 20 30 EGEDRM CN(CCn1[n-]c(C(C)(C)C)c(CCC#N)c1=O)c1ccccc1 ZINC000153519377 454801983 /nfs/dbraw/zinc/80/19/83/454801983.db2.gz GRAQGSKVGVWQIY-UHFFFAOYSA-N -1 0 326.444 3.479 20 30 EGEDRM CCCc1csc([N-]S(=O)(=O)c2cccc(Cl)c2C#N)n1 ZINC000127352206 454956415 /nfs/dbraw/zinc/95/64/15/454956415.db2.gz RWJNSINNLOREKN-UHFFFAOYSA-N -1 0 341.845 3.421 20 30 EGEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1ccc(OC2CCCC2)nc1 ZINC000171013212 455015168 /nfs/dbraw/zinc/01/51/68/455015168.db2.gz OVKSZTOIZVDKCK-UHFFFAOYSA-N -1 0 343.408 3.075 20 30 EGEDRM CCN(C[C@H](C)C#N)C(=O)c1cc(Cl)cc(Br)c1[O-] ZINC000119057594 455123548 /nfs/dbraw/zinc/12/35/48/455123548.db2.gz DKONBYDEKRHWFB-MRVPVSSYSA-N -1 0 345.624 3.430 20 30 EGEDRM Cc1ocnc1C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000237692128 455208600 /nfs/dbraw/zinc/20/86/00/455208600.db2.gz CDLISONHKNAKEI-UHFFFAOYSA-N -1 0 346.342 3.333 20 30 EGEDRM C=CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000237727580 455212779 /nfs/dbraw/zinc/21/27/79/455212779.db2.gz BWFGIIPXFNMNIL-UHFFFAOYSA-N -1 0 345.420 3.070 20 30 EGEDRM Cn1ccc2cccc([N-]S(=O)(=O)c3c(F)cc(C#N)cc3F)c21 ZINC000190855830 455391491 /nfs/dbraw/zinc/39/14/91/455391491.db2.gz QWGPJNHWYPQUGQ-UHFFFAOYSA-N -1 0 347.346 3.129 20 30 EGEDRM N#Cc1ccc(C(=O)N2CCCc3cc(OC(F)F)ccc32)cc1[O-] ZINC000190981423 455419165 /nfs/dbraw/zinc/41/91/65/455419165.db2.gz HMVYKSAXPSDYIO-UHFFFAOYSA-N -1 0 344.317 3.458 20 30 EGEDRM COc1cc(CNc2ccc(Cl)c(C#N)c2)cc([N+](=O)[O-])c1[O-] ZINC000182051626 455424307 /nfs/dbraw/zinc/42/43/07/455424307.db2.gz UFKJZWWDNBSJNI-UHFFFAOYSA-N -1 0 333.731 3.446 20 30 EGEDRM COc1ncccc1C([O-])=C(C#N)c1nc2ccccc2n1C(F)F ZINC000193283088 455750148 /nfs/dbraw/zinc/75/01/48/455750148.db2.gz OZZRMXJFJUEFSK-NSHDSACASA-N -1 0 342.305 3.325 20 30 EGEDRM CC[C@H](C)CO[N-]C(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000293252300 455778950 /nfs/dbraw/zinc/77/89/50/455778950.db2.gz GDFIHRVWLJYNLT-QWHCGFSZSA-N -1 0 349.456 3.113 20 30 EGEDRM CC[C@@H](C)CO[N-]C(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000293250125 455779714 /nfs/dbraw/zinc/77/97/14/455779714.db2.gz GDFIHRVWLJYNLT-CHWSQXEVSA-N -1 0 349.456 3.113 20 30 EGEDRM N#CCCCCNS(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000285106426 455790356 /nfs/dbraw/zinc/79/03/56/455790356.db2.gz HRERSWFAMVKOLS-UHFFFAOYSA-N -1 0 340.754 3.331 20 30 EGEDRM CCCC(C#N)(CCC)NS(=O)(=O)C[C@H](OC)c1ccccc1 ZINC000295145010 455841169 /nfs/dbraw/zinc/84/11/69/455841169.db2.gz DOSIZJMRMNEVDR-INIZCTEOSA-N -1 0 338.473 3.156 20 30 EGEDRM COC(=O)Nc1cc(N=Cc2cc([N+](=O)[O-])ccc2[O-])ccc1F ZINC000255042255 455858915 /nfs/dbraw/zinc/85/89/15/455858915.db2.gz MRIMLYNPYJTKCV-UHFFFAOYSA-N -1 0 333.275 3.368 20 30 EGEDRM CC(C)(C)c1[n-]n(CC(=O)NC2CCCCCC2)c(=O)c1CCC#N ZINC000270293730 455921546 /nfs/dbraw/zinc/92/15/46/455921546.db2.gz XGVIUCFQMLBQMW-UHFFFAOYSA-N -1 0 346.475 3.181 20 30 EGEDRM C=CCC[C@H](NC(=O)CSCc1ccc(Cl)cc1)C(=O)[O-] ZINC000262778600 456058384 /nfs/dbraw/zinc/05/83/84/456058384.db2.gz AVXBQYKKOFCNTP-ZDUSSCGKSA-N -1 0 327.833 3.109 20 30 EGEDRM C=CCC[C@H](NC(=O)CCc1ccc(-c2ccccc2)[nH]1)C(=O)[O-] ZINC000262799450 456058808 /nfs/dbraw/zinc/05/88/08/456058808.db2.gz CMDJIPOFNYZLNL-KRWDZBQOSA-N -1 0 326.396 3.150 20 30 EGEDRM C=CCC[C@H](NC(=O)CCc1cccc(OC2CCCC2)c1)C(=O)[O-] ZINC000262935430 456069622 /nfs/dbraw/zinc/06/96/22/456069622.db2.gz PHEMVISJBSOWBX-SFHVURJKSA-N -1 0 345.439 3.476 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2cccc(Oc3cccnn3)c2)cc1[O-] ZINC000188565807 456085420 /nfs/dbraw/zinc/08/54/20/456085420.db2.gz AJYSJDBIZWFYDC-UHFFFAOYSA-N -1 0 332.319 3.098 20 30 EGEDRM CC1CCN(c2cccc([N-]S(=O)(=O)c3ccc(C#N)o3)c2)CC1 ZINC000288479853 456097369 /nfs/dbraw/zinc/09/73/69/456097369.db2.gz BYRVCOIUFGDFKL-UHFFFAOYSA-N -1 0 345.424 3.188 20 30 EGEDRM COc1cc(NC(=O)c2ccc(C#N)c([O-])c2)ccc1OC(C)C ZINC000188817713 456145004 /nfs/dbraw/zinc/14/50/04/456145004.db2.gz NMWYYCJEGARZAG-UHFFFAOYSA-N -1 0 326.352 3.312 20 30 EGEDRM C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H](C)[C@@H](C)C(=O)[O-] ZINC000263485203 456156377 /nfs/dbraw/zinc/15/63/77/456156377.db2.gz VJUBNWSYQBZYOW-ZJUUUORDSA-N -1 0 345.317 3.109 20 30 EGEDRM C=CCSc1ccccc1C(=O)N=c1nc([C@@H](C)OC)[n-]s1 ZINC000338023819 456656344 /nfs/dbraw/zinc/65/63/44/456656344.db2.gz WXFDXIAWKJJIMV-SNVBAGLBSA-N -1 0 335.454 3.198 20 30 EGEDRM Cc1cc(S(=O)(=O)Nc2cccc(-c3cc[nH]n3)c2)ccc1C#N ZINC000326768311 456698842 /nfs/dbraw/zinc/69/88/42/456698842.db2.gz QGTRTAQHVUPBDA-UHFFFAOYSA-N -1 0 338.392 3.058 20 30 EGEDRM C=CCCCS(=O)(=O)[N-]c1nc(CN2CCC[C@H](C)C2)cs1 ZINC000291950337 456808641 /nfs/dbraw/zinc/80/86/41/456808641.db2.gz ZUHWCNGOGNNQHX-ZDUSSCGKSA-N -1 0 343.518 3.083 20 30 EGEDRM N#C[C@@H](C(=O)c1cnn(CCF)c1)c1nc2ccccc2n1C(F)F ZINC000344854905 456869044 /nfs/dbraw/zinc/86/90/44/456869044.db2.gz RNQAWTWJNCPKQL-NSHDSACASA-N -1 0 347.300 3.087 20 30 EGEDRM CC(C)C(=O)Nc1cc(C([O-])=C(C#N)c2nc3ccccc3o2)ccn1 ZINC000344953785 456876369 /nfs/dbraw/zinc/87/63/69/456876369.db2.gz VFEKSSAUKVCESI-ZDUSSCGKSA-N -1 0 348.362 3.307 20 30 EGEDRM O=C(N=c1cn[n-]s1)NC1(c2ccc(Cl)cc2)CCOCC1 ZINC000330273497 457018666 /nfs/dbraw/zinc/01/86/66/457018666.db2.gz ZHNACDPHMDGJJJ-UHFFFAOYSA-N -1 0 338.820 3.033 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)N(C)[C@H](C)c2ccc(F)cc2)cc1C#N ZINC000349804068 457058870 /nfs/dbraw/zinc/05/88/70/457058870.db2.gz UOIRDNWUPZELLS-SNVBAGLBSA-N -1 0 345.399 3.353 20 30 EGEDRM CN(C)c1ccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)nc1 ZINC000342332522 457241927 /nfs/dbraw/zinc/24/19/27/457241927.db2.gz JCFMSBVQTPUGPO-AWEZNQCLSA-N -1 0 349.419 3.156 20 30 EGEDRM CN(C)c1ccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)nc1 ZINC000342369775 457261020 /nfs/dbraw/zinc/26/10/20/457261020.db2.gz QTCILQLFLPXLHR-GFCCVEGCSA-N -1 0 328.441 3.392 20 30 EGEDRM CC(C)(C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])c1cc(F)cc(C#N)c1 ZINC000354522853 457269115 /nfs/dbraw/zinc/26/91/15/457269115.db2.gz VBCODXABSBLHSH-UHFFFAOYSA-N -1 0 343.314 3.227 20 30 EGEDRM Cc1ccc(-c2cc(=NC(=O)C[C@@H](CC#N)c3ccccc3)[nH][n-]2)o1 ZINC000360317402 457300230 /nfs/dbraw/zinc/30/02/30/457300230.db2.gz OEBLXPHIWYGQIF-OAHLLOKOSA-N -1 0 334.379 3.426 20 30 EGEDRM C=CC[C@H](C(=O)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1)c1ccccc1 ZINC000355798515 457420646 /nfs/dbraw/zinc/42/06/46/457420646.db2.gz ZVLBMOVKEQJDHW-INIZCTEOSA-N -1 0 334.379 3.476 20 30 EGEDRM C=CC[C@H](CC)NC(=O)c1ccc(I)c(O)c1 ZINC000393795826 457468235 /nfs/dbraw/zinc/46/82/35/457468235.db2.gz JOQCMUWGPVRTBY-JTQLQIEISA-N -1 0 345.180 3.081 20 30 EGEDRM C=CCC(C)(C)CNC(=O)N=c1[n-]nc(Cc2ccccc2F)s1 ZINC000433156114 457767939 /nfs/dbraw/zinc/76/79/39/457767939.db2.gz IGTSLMLQPRBMSH-UHFFFAOYSA-N -1 0 348.447 3.414 20 30 EGEDRM CC(C)c1cc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)no1 ZINC000358169434 457831101 /nfs/dbraw/zinc/83/11/01/457831101.db2.gz PMFSDENAQCPPEM-UHFFFAOYSA-N -1 0 325.777 3.124 20 30 EGEDRM Cn1nc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)cc1C1CC1 ZINC000362178671 458040688 /nfs/dbraw/zinc/04/06/88/458040688.db2.gz DSMQKKFSGGKWBS-LLVKDONJSA-N -1 0 334.301 3.201 20 30 EGEDRM CSCCc1ccc([N-]S(=O)(=O)c2ccc(C#N)s2)cc1 ZINC000435506814 458156693 /nfs/dbraw/zinc/15/66/93/458156693.db2.gz WWKCMVBCFNZQQA-UHFFFAOYSA-N -1 0 338.479 3.326 20 30 EGEDRM CCCc1c(C([O-])=C(C#N)c2ccncn2)cnn1-c1cccc(C)c1 ZINC000447604969 458320212 /nfs/dbraw/zinc/32/02/12/458320212.db2.gz FIRPCSXZSDHPEJ-INIZCTEOSA-N -1 0 345.406 3.413 20 30 EGEDRM N#Cc1ccc(C2=CCN(C(=O)NCCCCCC(=O)[O-])CC2)cc1 ZINC000414627269 458323711 /nfs/dbraw/zinc/32/37/11/458323711.db2.gz MRMLFDNREQBGQR-UHFFFAOYSA-N -1 0 341.411 3.002 20 30 EGEDRM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cnc(-c4ccco4)s3)nc1-2 ZINC000429578046 458349078 /nfs/dbraw/zinc/34/90/78/458349078.db2.gz HWAIAWGHXMGLFX-SNVBAGLBSA-N -1 0 349.375 3.473 20 30 EGEDRM CCc1cccc(Oc2ccc([N-]S(=O)(=O)[C@H](C#N)CC)cn2)c1 ZINC000416942830 458357611 /nfs/dbraw/zinc/35/76/11/458357611.db2.gz SKTGOOISTQGTLZ-INIZCTEOSA-N -1 0 345.424 3.480 20 30 EGEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1cc(F)c(OC(C)(C)C)c(F)c1 ZINC000416956067 458358318 /nfs/dbraw/zinc/35/83/18/458358318.db2.gz NARJUGXRGSPSLD-JTQLQIEISA-N -1 0 332.372 3.186 20 30 EGEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1cnn(-c2ccccc2)c1C(C)C ZINC000416949748 458358793 /nfs/dbraw/zinc/35/87/93/458358793.db2.gz DKLORMNMBKGRJP-AWEZNQCLSA-N -1 0 332.429 3.040 20 30 EGEDRM C=CCOc1ccc(CN=c2[n-]nc(SCC)s2)cc1OC ZINC000447955592 458370317 /nfs/dbraw/zinc/37/03/17/458370317.db2.gz QWYFFXVNCQRSPX-UHFFFAOYSA-N -1 0 337.470 3.258 20 30 EGEDRM C=C(C)[C@@H]1OCC[C@@H]1CN=c1[n-]nc(-c2ccc(OC)cc2)s1 ZINC000420623715 458399497 /nfs/dbraw/zinc/39/94/97/458399497.db2.gz JPRPIGARVGWWHA-HIFRSBDPSA-N -1 0 331.441 3.029 20 30 EGEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1nc2c(s1)CCC2(C)C ZINC000421237774 458409325 /nfs/dbraw/zinc/40/93/25/458409325.db2.gz WVFFAZPPQHVDIE-UHFFFAOYSA-N -1 0 347.465 3.348 20 30 EGEDRM C=CCOCCCC(=O)N[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000449003502 458417997 /nfs/dbraw/zinc/41/79/97/458417997.db2.gz PCTHOIYWNAYILW-AWEZNQCLSA-N -1 0 346.210 3.218 20 30 EGEDRM C=CCC[C@@H](NC(=O)c1ccccc1-c1nc(C(C)C)no1)C(=O)[O-] ZINC000448988745 458418707 /nfs/dbraw/zinc/41/87/07/458418707.db2.gz BXGQQZVPWHSBGM-CQSZACIVSA-N -1 0 343.383 3.009 20 30 EGEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(CSC)c1 ZINC000546620049 458645926 /nfs/dbraw/zinc/64/59/26/458645926.db2.gz VBGLYBWURQFGKB-UHFFFAOYSA-N -1 0 348.449 3.231 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2cccc(S(=O)(=O)C(C)C)c2)n1 ZINC000546740541 458669624 /nfs/dbraw/zinc/66/96/24/458669624.db2.gz QMJRIXJRRCLYNV-CQSZACIVSA-N -1 0 348.449 3.124 20 30 EGEDRM N#CCc1ccc([N-]S(=O)(=O)c2cnc3ccsc3c2)cc1 ZINC000439569519 458725839 /nfs/dbraw/zinc/72/58/39/458725839.db2.gz KKYMTRYOVNVIPB-UHFFFAOYSA-N -1 0 329.406 3.163 20 30 EGEDRM C=C(C)COc1cccc([N-]S(=O)(=O)c2cncc(Cl)c2)c1 ZINC000507006292 458753066 /nfs/dbraw/zinc/75/30/66/458753066.db2.gz GVHNBWUNSKKUKV-UHFFFAOYSA-N -1 0 338.816 3.491 20 30 EGEDRM C=CCN=c1[n-]nc(SCC(=O)C2CCC(F)(F)CC2)s1 ZINC000432729290 458776099 /nfs/dbraw/zinc/77/60/99/458776099.db2.gz PRYBJYBVKAGUTQ-UHFFFAOYSA-N -1 0 333.429 3.045 20 30 EGEDRM CC(C)(C)OC(=O)Nc1ccc(C([O-])=C(C#N)c2ccncn2)cc1 ZINC000495392327 458847482 /nfs/dbraw/zinc/84/74/82/458847482.db2.gz BFHAHZDIEIMACW-AWEZNQCLSA-N -1 0 338.367 3.314 20 30 EGEDRM O=C([O-])c1csc(/C=C/C(=O)c2cccc(N3CCOC3=O)c2)c1 ZINC000495409272 458852160 /nfs/dbraw/zinc/85/21/60/458852160.db2.gz XWDRLMOJLSHESM-SNAWJCMRSA-N -1 0 343.360 3.299 20 30 EGEDRM Cc1cccc2[nH]c(C(C#N)=C([O-])c3noc4c3C[C@H](C)CC4)nc21 ZINC000518957977 458902132 /nfs/dbraw/zinc/90/21/32/458902132.db2.gz KIUILELLTJBUPO-MFKMUULPSA-N -1 0 334.379 3.474 20 30 EGEDRM Cc1cccc2[nH]c(C(C#N)=C([O-])c3noc4c3C[C@H](C)CC4)nc21 ZINC000518957978 458902483 /nfs/dbraw/zinc/90/24/83/458902483.db2.gz KIUILELLTJBUPO-ZWNOBZJWSA-N -1 0 334.379 3.474 20 30 EGEDRM C=CCOCCCSc1n[n-]c(=Nc2ccccc2OC)s1 ZINC000475964496 458973895 /nfs/dbraw/zinc/97/38/95/458973895.db2.gz JQCJLBCGMPEWFL-UHFFFAOYSA-N -1 0 337.470 3.397 20 30 EGEDRM C=CCC[C@@H](NC(=O)Nc1ccc2cnn(C(C)C)c2c1)C(=O)[O-] ZINC000556709878 458994074 /nfs/dbraw/zinc/99/40/74/458994074.db2.gz WRJJBBRUTQHORS-CQSZACIVSA-N -1 0 330.388 3.158 20 30 EGEDRM CCn1ncc2cc(C([O-])=C(C#N)c3nc4ccccc4o3)c(C)nc21 ZINC000442537412 459012516 /nfs/dbraw/zinc/01/25/16/459012516.db2.gz CLJSYLPRFZPNRS-AWEZNQCLSA-N -1 0 345.362 3.391 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(C)cc(F)c2)n1 ZINC000442818337 459042690 /nfs/dbraw/zinc/04/26/90/459042690.db2.gz NQALTWMSEYVPQL-LBPRGKRZSA-N -1 0 332.356 3.257 20 30 EGEDRM C=CCN(CCc1ccccc1)C(=O)N=c1[n-]nc(SCC)s1 ZINC000521065709 459116852 /nfs/dbraw/zinc/11/68/52/459116852.db2.gz DIFKICBGUKUZQB-UHFFFAOYSA-N -1 0 348.497 3.335 20 30 EGEDRM CCCCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)cn1 ZINC000479540777 459148404 /nfs/dbraw/zinc/14/84/04/459148404.db2.gz GVFHTZSEOYXWDW-UHFFFAOYSA-N -1 0 345.424 3.241 20 30 EGEDRM CCOc1ccc(S(=O)(=O)[N-]c2sc(CC)cc2C#N)cc1 ZINC000590592684 459154995 /nfs/dbraw/zinc/15/49/95/459154995.db2.gz QLCQOUFOKHBUOL-UHFFFAOYSA-N -1 0 336.438 3.382 20 30 EGEDRM CCOc1cc(C#N)cc(-c2ccc3c(c2)CCO3)c1OCC(=O)[O-] ZINC000594872739 459164035 /nfs/dbraw/zinc/16/40/35/459164035.db2.gz GLFSBMBOQFJQHJ-UHFFFAOYSA-N -1 0 339.347 3.022 20 30 EGEDRM C=CCC[C@H](NC(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000580712460 459263492 /nfs/dbraw/zinc/26/34/92/459263492.db2.gz GSIOJBYABSINNM-XIRDDKMYSA-N -1 0 330.428 3.446 20 30 EGEDRM C=CCC[C@H](NS(=O)(=O)c1ccc(C(C)(C)CC)cc1)C(=O)[O-] ZINC000582276532 459338379 /nfs/dbraw/zinc/33/83/79/459338379.db2.gz FNQMVJKLYFSGHH-HNNXBMFYSA-N -1 0 339.457 3.072 20 30 EGEDRM CCc1csc(-n2cc(C([O-])=C(C#N)c3nc(C)cs3)cn2)n1 ZINC000535683311 459355584 /nfs/dbraw/zinc/35/55/84/459355584.db2.gz GAEVRGORAFOJMZ-GFCCVEGCSA-N -1 0 343.437 3.146 20 30 EGEDRM C[C@H]1CCC[C@@](C#N)(NC(=O)c2cccc(Br)c2[O-])C1 ZINC000536689418 459361447 /nfs/dbraw/zinc/36/14/47/459361447.db2.gz PTBBKKYYHAJALU-ZUZCIYMTSA-N -1 0 337.217 3.357 20 30 EGEDRM COc1cc(C)cnc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000488229490 459541012 /nfs/dbraw/zinc/54/10/12/459541012.db2.gz HBQGISIQTQUSPR-NSHDSACASA-N -1 0 335.285 3.303 20 30 EGEDRM C=C(C)COc1cccc(NC(=O)N2CCC[C@H](CC(=O)[O-])C2)c1 ZINC000570550005 459557894 /nfs/dbraw/zinc/55/78/94/459557894.db2.gz NWBUGCDFFZKRHT-CQSZACIVSA-N -1 0 332.400 3.360 20 30 EGEDRM C=CCC[C@@H](NC(=O)N[C@H](C)c1ccc(OC(C)C)cc1)C(=O)[O-] ZINC000572362728 459579401 /nfs/dbraw/zinc/57/94/01/459579401.db2.gz FPBHLRRVXBKRLG-CZUORRHYSA-N -1 0 334.416 3.253 20 30 EGEDRM Cc1nn(C)c(C)c1C([O-])=C(C#N)c1nc2cc(F)ccc2s1 ZINC000592975756 459726291 /nfs/dbraw/zinc/72/62/91/459726291.db2.gz OXLMRUHJPLYEDN-LLVKDONJSA-N -1 0 328.372 3.276 20 30 EGEDRM Cc1oc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)nc1C1CC1 ZINC000593282057 459829052 /nfs/dbraw/zinc/82/90/52/459829052.db2.gz WYTXKEXDJVRKBH-UHFFFAOYSA-N -1 0 345.424 3.462 20 30 EGEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000545999490 459884811 /nfs/dbraw/zinc/88/48/11/459884811.db2.gz QVZLUNAAZHCXAX-UHFFFAOYSA-N -1 0 340.763 3.160 20 30 EGEDRM N#CC(=C([O-])c1ccc([N+](=O)[O-])[nH]1)c1nc2cc(F)ccc2s1 ZINC000609322063 459943352 /nfs/dbraw/zinc/94/33/52/459943352.db2.gz WTRIXPQRPNWJDJ-MRVPVSSYSA-N -1 0 330.300 3.162 20 30 EGEDRM N#CCc1cccc(C(=O)N2[C@@H](C(=O)[O-])CC[C@H]2c2ccccc2)c1 ZINC000598661605 459982932 /nfs/dbraw/zinc/98/29/32/459982932.db2.gz JQFMCONXDDRDMW-ZWKOTPCHSA-N -1 0 334.375 3.183 20 30 EGEDRM CC(C)(C#N)C[C@H](O)CSc1n[n-]c(=Nc2ccccc2)s1 ZINC000598703946 460000334 /nfs/dbraw/zinc/00/03/34/460000334.db2.gz LFGADXHDWLFPSI-LBPRGKRZSA-N -1 0 334.470 3.096 20 30 EGEDRM N#C[C@@H](Sc1n[n-]c(=NCC(F)(F)F)s1)c1ccccc1 ZINC000575815392 460010627 /nfs/dbraw/zinc/01/06/27/460010627.db2.gz DRTWEMLVLGVPOF-SECBINFHSA-N -1 0 330.360 3.291 20 30 EGEDRM C[C@H](NC(=O)C[C@](C)(C(=O)[O-])c1ccccc1)c1cccc(C#N)c1 ZINC000610335041 460122658 /nfs/dbraw/zinc/12/26/58/460122658.db2.gz PMEWQYSBINWNSF-XOBRGWDASA-N -1 0 336.391 3.168 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc3c(cn2)CCCC3)cc1Cl ZINC000589659854 460124689 /nfs/dbraw/zinc/12/46/89/460124689.db2.gz MTBPXGAPMRVDJW-UHFFFAOYSA-N -1 0 347.827 3.286 20 30 EGEDRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N([C@H](C)C#N)C3CC3)n2)cc1 ZINC000598130609 460183262 /nfs/dbraw/zinc/18/32/62/460183262.db2.gz FYLZOEWHXQPZJW-CYBMUJFWSA-N -1 0 338.411 3.218 20 30 EGEDRM CSc1ccncc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000610657384 460207722 /nfs/dbraw/zinc/20/77/22/460207722.db2.gz JSPOEQXSOVLRIT-UHFFFAOYSA-N -1 0 339.829 3.129 20 30 EGEDRM CC(C)(C)n1cc(C#N)c(=NC(=O)[C@H]2CCc3c2cccc3Cl)[n-]1 ZINC000611440640 460366668 /nfs/dbraw/zinc/36/66/68/460366668.db2.gz VPCDRPOZSSWDAU-AWEZNQCLSA-N -1 0 342.830 3.254 20 30 EGEDRM N#CC1(C(=O)NCc2c3ccccc3sc2C(=O)[O-])CCCC1 ZINC000611463694 460370223 /nfs/dbraw/zinc/37/02/23/460370223.db2.gz WYQAXALBEMFHIQ-UHFFFAOYSA-N -1 0 328.393 3.300 20 30 EGEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)C1(Cc2cccc(Cl)c2)CC1 ZINC000601739405 460886472 /nfs/dbraw/zinc/88/64/72/460886472.db2.gz UVDLWTMKRYHNFX-UHFFFAOYSA-N -1 0 340.814 3.195 20 30 EGEDRM C=CCSCCNC(=O)C[C@](C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000602013292 460989401 /nfs/dbraw/zinc/98/94/01/460989401.db2.gz VLJYLNLTKSFZNI-INIZCTEOSA-N -1 0 341.860 3.108 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)c1cc(C)c(Br)cc1C)C(=O)[O-] ZINC000630319780 461094722 /nfs/dbraw/zinc/09/47/22/461094722.db2.gz HTZAOGOEEWQZKN-CYBMUJFWSA-N -1 0 340.217 3.215 20 30 EGEDRM CC1(C)CCCN(C(=O)c2cccc(Br)c2[O-])[C@H]1C#N ZINC000618037967 461070023 /nfs/dbraw/zinc/07/00/23/461070023.db2.gz PTPXOXMFJNQQHR-LBPRGKRZSA-N -1 0 337.217 3.309 20 30 EGEDRM C=C(C)C[C@H](NC(=O)[C@H](CC)Oc1ccccc1Cl)C(=O)[O-] ZINC000630319703 461094267 /nfs/dbraw/zinc/09/42/67/461094267.db2.gz GCZUNFYOSASRHM-STQMWFEESA-N -1 0 325.792 3.033 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)c1cc(C)cc(C)c1Br)C(=O)[O-] ZINC000630319886 461094944 /nfs/dbraw/zinc/09/49/44/461094944.db2.gz JYXMMLOEZJMEBE-GFCCVEGCSA-N -1 0 340.217 3.215 20 30 EGEDRM C=C(C)COc1cc(CN=c2[n-]nc([C@H]3C[C@@H]3C)o2)ccc1OC ZINC000630962836 461444200 /nfs/dbraw/zinc/44/42/00/461444200.db2.gz SSGPQAZYODJIMR-JSGCOSHPSA-N -1 0 329.400 3.191 20 30 EGEDRM Cc1nn(C)c2ncc(C([O-])=C(C#N)c3nc(C4CC4)cs3)cc12 ZINC000647374515 461665634 /nfs/dbraw/zinc/66/56/34/461665634.db2.gz FLIFIXUPPXHKJY-CYBMUJFWSA-N -1 0 337.408 3.101 20 30 EGEDRM CC(=O)NCc1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cc1 ZINC000647375750 461667093 /nfs/dbraw/zinc/66/70/93/461667093.db2.gz FDOBRXIYGADKLA-HNNXBMFYSA-N -1 0 339.420 3.147 20 30 EGEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1ccc(C(F)F)cc1 ZINC000726733342 574568615 /nfs/dbraw/zinc/56/86/15/574568615.db2.gz WMFAYSNYSCPEPY-OAHLLOKOSA-N -1 0 328.318 3.263 20 30 EGEDRM Cc1cc([O-])cc2c1C(=O)C(=NNc1ccc([N+](=O)[O-])cc1Cl)O2 ZINC000727649204 574680875 /nfs/dbraw/zinc/68/08/75/574680875.db2.gz BDIBJTTYPOSAMH-UHFFFAOYSA-N -1 0 347.714 3.263 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)Cc2cccc(Cl)c2)n1 ZINC000727876756 574698733 /nfs/dbraw/zinc/69/87/33/574698733.db2.gz BRYCSMGRIAICKK-CYBMUJFWSA-N -1 0 348.811 3.067 20 30 EGEDRM O=C(/C=C\c1ccc(-n2cncn2)c(F)c1)c1ccc([O-])c(F)c1 ZINC000728438839 574749192 /nfs/dbraw/zinc/74/91/92/574749192.db2.gz QSKRVVDJHBWOBV-DJWKRKHSSA-N -1 0 327.290 3.147 20 30 EGEDRM COCCOc1ccc(/C=C/C(=O)c2ccc(CC(=O)[O-])cc2)cc1 ZINC000730464553 574990065 /nfs/dbraw/zinc/99/00/65/574990065.db2.gz SYQHLTKJZBFJDB-IZZDOVSWSA-N -1 0 340.375 3.235 20 30 EGEDRM CC(=NNC(=S)NCc1ccc(F)cc1)c1cc(F)ccc1O ZINC000730559688 575000980 /nfs/dbraw/zinc/00/09/80/575000980.db2.gz JEGPXBMJLAUHMS-UHFFFAOYSA-N -1 0 335.379 3.059 20 30 EGEDRM C=C(Cl)COC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000733015142 575300283 /nfs/dbraw/zinc/30/02/83/575300283.db2.gz ZQZQGISVYXJLQC-UHFFFAOYSA-N -1 0 342.576 3.200 20 30 EGEDRM CC(=O)Nc1cccc(C(=O)/C=C/c2cccc(OCC(=O)[O-])c2)c1 ZINC000733205305 575319884 /nfs/dbraw/zinc/31/98/84/575319884.db2.gz RBHIHQQJTHINMQ-CMDGGOBGSA-N -1 0 339.347 3.005 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)/C=C\C2CCCCC2)n1 ZINC000735562291 575680671 /nfs/dbraw/zinc/68/06/71/575680671.db2.gz LOBJESGNQVHXEJ-DANTVBBOSA-N -1 0 332.425 3.308 20 30 EGEDRM COc1ccnc(C(=O)C(C#N)=C([O-])c2c(C)[nH]c3ccccc32)c1 ZINC000735912364 575735566 /nfs/dbraw/zinc/73/55/66/575735566.db2.gz ZWEKEPARYXORHP-CQSZACIVSA-N -1 0 333.347 3.085 20 30 EGEDRM C#CCOc1ccccc1[C@@H](C)OC(=O)c1ccc(C(=O)[O-])s1 ZINC000736087716 575897657 /nfs/dbraw/zinc/89/76/57/575897657.db2.gz JGKKDOMMXIYMJQ-LLVKDONJSA-N -1 0 330.361 3.376 20 30 EGEDRM C#CCOc1cccc(NC(=O)Nc2ccc(CNC(=O)[O-])cc2)c1 ZINC000736089203 575898100 /nfs/dbraw/zinc/89/81/00/575898100.db2.gz HRFZKYNLERTMEU-UHFFFAOYSA-N -1 0 339.351 3.110 20 30 EGEDRM C=CCOc1ccccc1CNC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000736114052 575900269 /nfs/dbraw/zinc/90/02/69/575900269.db2.gz JWVNHEWFRBFDAG-UHFFFAOYSA-N -1 0 326.352 3.271 20 30 EGEDRM Cc1c2cc(C(C)N=Nc3cc(C)ncn3)cnc2sc1C(=O)[O-] ZINC000736126623 575902922 /nfs/dbraw/zinc/90/29/22/575902922.db2.gz PTXBCBIFMZVIRF-UHFFFAOYSA-N -1 0 341.396 3.237 20 30 EGEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)c1cccc(C(=O)[O-])n1 ZINC000736200684 575914433 /nfs/dbraw/zinc/91/44/33/575914433.db2.gz CMVLLRHISNPMRO-NSHDSACASA-N -1 0 341.392 3.284 20 30 EGEDRM CC(C)(C(=O)[O-])c1ccc(NC(=O)c2ccccc2OCC#N)cc1 ZINC000736232899 575918230 /nfs/dbraw/zinc/91/82/30/575918230.db2.gz RHOJSXVNFHYUGS-UHFFFAOYSA-N -1 0 338.363 3.203 20 30 EGEDRM C[C@@H](CC(=O)[O-])S[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000736551405 575983143 /nfs/dbraw/zinc/98/31/43/575983143.db2.gz KJMZNTPGPWJCDH-IUCAKERBSA-N -1 0 326.805 3.135 20 30 EGEDRM C[C@@H](S[C@@H](C)CC(=O)[O-])C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000736551403 575983209 /nfs/dbraw/zinc/98/32/09/575983209.db2.gz KJMZNTPGPWJCDH-DTWKUNHWSA-N -1 0 326.805 3.135 20 30 EGEDRM CCOCCN(Cc1ccc(C(=O)[O-])o1)Cc1cc(C#N)ccc1F ZINC000737175780 576129413 /nfs/dbraw/zinc/12/94/13/576129413.db2.gz DKKADICITUNZDT-UHFFFAOYSA-N -1 0 346.358 3.027 20 30 EGEDRM COc1ccc(O)c(/C=N\Cc2ccc(OCCCC(=O)[O-])cc2)c1 ZINC000738041873 576282692 /nfs/dbraw/zinc/28/26/92/576282692.db2.gz OESBVMOLNFAGOB-MOSHPQCFSA-N -1 0 343.379 3.264 20 30 EGEDRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 ZINC000738525249 576334877 /nfs/dbraw/zinc/33/48/77/576334877.db2.gz JAKXPJQJCSKLFV-SFHVURJKSA-N -1 0 349.390 3.172 20 30 EGEDRM Cc1cccc(O[C@H](C)C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000738735202 576356905 /nfs/dbraw/zinc/35/69/05/576356905.db2.gz RSWALGDDVXJSLU-DYVFJYSZSA-N -1 0 339.347 3.003 20 30 EGEDRM Cc1cccn2c(/C=C/C(=O)c3ccc(OCC(=O)[O-])cc3)cnc12 ZINC000738785130 576361030 /nfs/dbraw/zinc/36/10/30/576361030.db2.gz HSQMRSBNOOXMBA-RMKNXTFCSA-N -1 0 336.347 3.002 20 30 EGEDRM Cn1c2ccccc2nc1[C@H](C#N)C(=O)c1cccc(NC(=O)[O-])c1 ZINC000739012402 576373925 /nfs/dbraw/zinc/37/39/25/576373925.db2.gz CSZBGKFRFLNWSQ-CYBMUJFWSA-N -1 0 334.335 3.153 20 30 EGEDRM N#CCOc1ccc(CC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000739088423 576377414 /nfs/dbraw/zinc/37/74/14/576377414.db2.gz QURWFPLNEDYKCC-UHFFFAOYSA-N -1 0 344.754 3.122 20 30 EGEDRM N#CCn1c(C(=O)Oc2ccccc2CC(=O)[O-])cc2ccccc21 ZINC000739091923 576377463 /nfs/dbraw/zinc/37/74/63/576377463.db2.gz COSZRNIGWXOVNT-UHFFFAOYSA-N -1 0 334.331 3.011 20 30 EGEDRM N#CCOc1ccccc1C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000739092101 576377569 /nfs/dbraw/zinc/37/75/69/576377569.db2.gz PEAAZNUXYOEOSP-UHFFFAOYSA-N -1 0 330.727 3.193 20 30 EGEDRM N#Cc1ccc(CN2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)cc1 ZINC000739119132 576378981 /nfs/dbraw/zinc/37/89/81/576378981.db2.gz YGWBPYYRWRWUDJ-UHFFFAOYSA-N -1 0 331.375 3.296 20 30 EGEDRM N#Cc1ccc(Nc2cccc(C(=O)NCCCCC(=O)[O-])c2)cc1 ZINC000739121321 576379114 /nfs/dbraw/zinc/37/91/14/576379114.db2.gz NTENDJXXKBXZOO-UHFFFAOYSA-N -1 0 337.379 3.287 20 30 EGEDRM N#Cc1ccccc1/C=C/C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000739140667 576379531 /nfs/dbraw/zinc/37/95/31/576379531.db2.gz XEFUJKAPYHPXIH-SCOAYWHSSA-N -1 0 332.359 3.177 20 30 EGEDRM O=C([O-])[C@H](Cc1ccccc1)/N=C/c1cc(Br)ccc1O ZINC000740057195 576540698 /nfs/dbraw/zinc/54/06/98/576540698.db2.gz UUHQDEOPODHGNZ-XKYMITNMSA-N -1 0 348.196 3.270 20 30 EGEDRM C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC000741657482 576708927 /nfs/dbraw/zinc/70/89/27/576708927.db2.gz SKYMEHGFNCOJNF-UHFFFAOYSA-N -1 0 333.384 3.255 20 30 EGEDRM COc1ccc2c(c1)C(=O)/C(=C\c1ccc(OCC(=O)[O-])cc1)CC2 ZINC000741847133 576727191 /nfs/dbraw/zinc/72/71/91/576727191.db2.gz IJUPRTVRFLOSDQ-GDNBJRDFSA-N -1 0 338.359 3.371 20 30 EGEDRM COc1cc(/C=C2/CCc3c(O)cccc3C2=O)cc([N+](=O)[O-])c1[O-] ZINC000742434334 576784162 /nfs/dbraw/zinc/78/41/62/576784162.db2.gz FVIYMKQISIGRPT-XFFZJAGNSA-N -1 0 341.319 3.227 20 30 EGEDRM CN(CCC(=O)[O-])C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000818435589 596985971 /nfs/dbraw/zinc/98/59/71/596985971.db2.gz NMGUXNRTHIBNRR-UHFFFAOYSA-N -1 0 339.351 3.289 20 30 EGEDRM Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccccc1CC(=O)[O-] ZINC000819051394 597318269 /nfs/dbraw/zinc/31/82/69/597318269.db2.gz OQPOZKYLTXQZDW-UHFFFAOYSA-N -1 0 349.346 3.130 20 30 EGEDRM C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC000820102487 597604363 /nfs/dbraw/zinc/60/43/63/597604363.db2.gz YDXJHDKNRVXGTG-BJOHPYRUSA-N -1 0 343.210 3.045 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1Cc2ccccc2-c2ccccc2C1 ZINC000819822208 597642559 /nfs/dbraw/zinc/64/25/59/597642559.db2.gz MSRIIJUBARQXFR-HXUWFJFHSA-N -1 0 334.375 3.200 20 30 EGEDRM N#CCC[C@H](NC(=O)NCc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000821320431 598183465 /nfs/dbraw/zinc/18/34/65/598183465.db2.gz QAUODAXMWHZZDF-KRWDZBQOSA-N -1 0 337.379 3.229 20 30 EGEDRM N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H]2C(=O)[O-])cc1 ZINC000821319957 598206150 /nfs/dbraw/zinc/20/61/50/598206150.db2.gz CSTRHXSBAFTTGO-ROUUACIJSA-N -1 0 349.390 3.423 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(Br)cc1Cl ZINC000819848113 598222099 /nfs/dbraw/zinc/22/20/99/598222099.db2.gz QCEGTEUZONKCOP-GFCCVEGCSA-N -1 0 345.580 3.046 20 30 EGEDRM CC(C)Sc1ccc([C@@H](C)NC(=O)[C@](C)(C#N)CC(=O)[O-])cc1 ZINC000820036635 598226804 /nfs/dbraw/zinc/22/68/04/598226804.db2.gz IGSZEAPUVHWIQL-PXAZEXFGSA-N -1 0 334.441 3.369 20 30 EGEDRM Cc1ccc(Oc2ccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])cc2)nc1 ZINC000821098372 598227782 /nfs/dbraw/zinc/22/77/82/598227782.db2.gz CZDPAVPGFWSPAS-GOSISDBHSA-N -1 0 339.351 3.125 20 30 EGEDRM COc1ccc2cc([C@@H](C)OC(=O)[C@](C)(C#N)CC(=O)[O-])ccc2c1 ZINC000820853646 598229404 /nfs/dbraw/zinc/22/94/04/598229404.db2.gz ORZQKNDWQPIOCE-BLVKFPJESA-N -1 0 341.363 3.457 20 30 EGEDRM C#Cc1cccc(N(C(C)C)S(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000825636638 600744397 /nfs/dbraw/zinc/74/43/97/600744397.db2.gz ORRLXXJUGQIZNL-UHFFFAOYSA-N -1 0 349.433 3.031 20 30 EGEDRM CCCc1c(C(=O)N[C@H](C)c2cccc(C#N)c2)[nH]c(C)c1C(=O)[O-] ZINC000829557155 600790895 /nfs/dbraw/zinc/79/08/95/600790895.db2.gz WTNHRRYRZVPMLF-LLVKDONJSA-N -1 0 339.395 3.337 20 30 EGEDRM C#C[C@H](C)OC(=O)c1ccccc1SCc1occc1C(=O)[O-] ZINC000825600274 600959415 /nfs/dbraw/zinc/95/94/15/600959415.db2.gz FAGIKLXDEFEAKO-NSHDSACASA-N -1 0 330.361 3.449 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@@H](C)C(F)(F)F ZINC000825702702 600966955 /nfs/dbraw/zinc/96/69/55/600966955.db2.gz VWCHZZVMFRUWRR-MRVPVSSYSA-N -1 0 332.274 3.226 20 30 EGEDRM CN(C(=O)[O-])c1ccc(NC(=O)NCc2cc(C#N)ccc2F)cc1 ZINC000830514287 601030159 /nfs/dbraw/zinc/03/01/59/601030159.db2.gz QKXNMKSKANDVFJ-UHFFFAOYSA-N -1 0 342.330 3.133 20 30 EGEDRM C[C@H](NC(=O)Nc1ccc(CNC(=O)[O-])cc1)c1cccc(C#N)c1 ZINC000827672155 601052704 /nfs/dbraw/zinc/05/27/04/601052704.db2.gz RJCOAKACUFHVBE-LBPRGKRZSA-N -1 0 338.367 3.209 20 30 EGEDRM N#Cc1ccc(C(=O)OCCOc2ccc(C(=O)[O-])cc2Cl)cc1 ZINC000833072336 601061976 /nfs/dbraw/zinc/06/19/76/601061976.db2.gz RQQNJVDEJCAVNO-UHFFFAOYSA-N -1 0 345.738 3.146 20 30 EGEDRM O=C([O-])c1ccc(OCC#Cc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000833321397 601224252 /nfs/dbraw/zinc/22/42/52/601224252.db2.gz DALHSMPRRRTGJF-UHFFFAOYSA-N -1 0 331.711 3.377 20 30 EGEDRM C=CCn1c(C)cc(C(=O)CN(CC(=O)[O-])Cc2ccccc2)c1C ZINC000825705354 601225312 /nfs/dbraw/zinc/22/53/12/601225312.db2.gz DBFGVPCEHGQCDH-UHFFFAOYSA-N -1 0 340.423 3.060 20 30 EGEDRM C=CCn1c(C)cc(C(=O)CN(C)[C@H](C(=O)[O-])c2ccccc2)c1C ZINC000825705434 601225951 /nfs/dbraw/zinc/22/59/51/601225951.db2.gz HKNKYWHERPNOHB-IBGZPJMESA-N -1 0 340.423 3.231 20 30 EGEDRM N#Cc1ccc(NC(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)cc1 ZINC000833073440 601299942 /nfs/dbraw/zinc/29/99/42/601299942.db2.gz NXHVOULUSOCJHB-HNNXBMFYSA-N -1 0 327.315 3.035 20 30 EGEDRM N#Cc1cccc([C@@H](Nc2cccc(N3CCCCC3=O)c2)C(=O)[O-])c1 ZINC000833074919 601300111 /nfs/dbraw/zinc/30/01/11/601300111.db2.gz GMZYDHJGSXQSHL-LJQANCHMSA-N -1 0 349.390 3.313 20 30 EGEDRM COCCCOc1cccc(N[C@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000831705569 601307931 /nfs/dbraw/zinc/30/79/31/601307931.db2.gz SCEVCALMWSBTJM-SFHVURJKSA-N -1 0 340.379 3.211 20 30 EGEDRM Cc1ccccc1[C@@H]1CN([C@@H](C(=O)[O-])c2cccc(C#N)c2)CCO1 ZINC000832977878 601320741 /nfs/dbraw/zinc/32/07/41/601320741.db2.gz WHWLMOUBLHDXAM-RBUKOAKNSA-N -1 0 336.391 3.066 20 30 EGEDRM COc1ccc(Cl)cc1C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832367532 601343349 /nfs/dbraw/zinc/34/33/49/601343349.db2.gz HJLYIKXUZZRSMS-OAHLLOKOSA-N -1 0 345.738 3.203 20 30 EGEDRM N#Cc1cccc([C@H](OC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)C(=O)[O-])c1 ZINC000833076619 601346320 /nfs/dbraw/zinc/34/63/20/601346320.db2.gz XICIKTIPBBWSKK-ZACQAIPSSA-N -1 0 339.322 3.170 20 30 EGEDRM CCc1sc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1C ZINC000830403430 601346758 /nfs/dbraw/zinc/34/67/58/601346758.db2.gz QVFQDCANNUCYBN-HNNXBMFYSA-N -1 0 329.377 3.473 20 30 EGEDRM CCO[C@H](C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1)c1ccccc1 ZINC000829901569 601350771 /nfs/dbraw/zinc/35/07/71/601350771.db2.gz PAMNVOQZZXDSGW-IRXDYDNUSA-N -1 0 339.347 3.005 20 30 EGEDRM C/C(=C/C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1cccc(F)c1 ZINC000825723875 601352483 /nfs/dbraw/zinc/35/24/83/601352483.db2.gz CRQJBWJIWGAFBJ-XSZJWBAASA-N -1 0 339.322 3.470 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)C/C=C/c2ccc(F)cc2)C(=O)[O-])cc1 ZINC000833073110 601470976 /nfs/dbraw/zinc/47/09/76/601470976.db2.gz VTHQLBHDFREAKT-KROLTMCQSA-N -1 0 339.322 3.470 20 30 EGEDRM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1c(F)cc(C#N)cc1F)c1ccccc1 ZINC000826038782 601683686 /nfs/dbraw/zinc/68/36/86/601683686.db2.gz HJCZRDCRUGOGBV-MGPLVRAMSA-N -1 0 344.317 3.028 20 30 EGEDRM C[C@H](C(=O)[O-])[C@H](NC(=O)c1c(F)cc(C#N)cc1F)c1ccccc1 ZINC000826038783 601683739 /nfs/dbraw/zinc/68/37/39/601683739.db2.gz HJCZRDCRUGOGBV-QFYYESIMSA-N -1 0 344.317 3.028 20 30 EGEDRM N#Cc1ccc([C@@H](OC(=O)c2cc(F)cc(Cl)c2)C(=O)[O-])cc1 ZINC000833072903 601746186 /nfs/dbraw/zinc/74/61/86/601746186.db2.gz SCSKIAQEGSUIFS-CQSZACIVSA-N -1 0 333.702 3.333 20 30 EGEDRM O=C([O-])c1cc(C=NN=C(C(=O)c2ccccc2)c2ccccc2)c[nH]1 ZINC000814692803 601795520 /nfs/dbraw/zinc/79/55/20/601795520.db2.gz DIAYJHMVTFCTIH-UHFFFAOYSA-N -1 0 345.358 3.419 20 30 EGEDRM C[C@@H]1CN([C@@H](C(=O)[O-])c2cccc(C#N)c2)C[C@H](c2ccsc2)O1 ZINC000828411842 601886257 /nfs/dbraw/zinc/88/62/57/601886257.db2.gz KTZGFTSRNUCVEO-CSMYWGQOSA-N -1 0 342.420 3.207 20 30 EGEDRM CC[C@](C)(C#N)NC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000828604026 601991732 /nfs/dbraw/zinc/99/17/32/601991732.db2.gz SPUCSNZVWULWLF-CYBMUJFWSA-N -1 0 329.278 3.217 20 30 EGEDRM C[C@@H](Oc1ccc(/C=C2\Oc3ccc(F)cc3C2=O)cc1)C(=O)[O-] ZINC000794707133 602110690 /nfs/dbraw/zinc/11/06/90/602110690.db2.gz KJKQVNDKTKNYDR-NUEDXCKTSA-N -1 0 328.295 3.294 20 30 EGEDRM CN(C)c1nc2cc(N[C@H](C(=O)[O-])c3cccc(C#N)c3)ccc2o1 ZINC000830651656 602177923 /nfs/dbraw/zinc/17/79/23/602177923.db2.gz YTSUYMJSNIXPBM-INIZCTEOSA-N -1 0 336.351 3.003 20 30 EGEDRM C[C@@H](CN(Cc1ccccc1)c1ncc(C#N)cc1Cl)C(=O)[O-] ZINC000827456464 602237363 /nfs/dbraw/zinc/23/73/63/602237363.db2.gz XCDUCPMPVCJCPO-LBPRGKRZSA-N -1 0 329.787 3.334 20 30 EGEDRM CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000826951571 602360429 /nfs/dbraw/zinc/36/04/29/602360429.db2.gz NLGYJQPMMXPGEO-UHFFFAOYSA-N -1 0 340.383 3.037 20 30 EGEDRM CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000830811137 602378721 /nfs/dbraw/zinc/37/87/21/602378721.db2.gz OILPGIBUMKKMCZ-UHFFFAOYSA-N -1 0 327.315 3.059 20 30 EGEDRM COc1ccc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2)c(OC)c1OC ZINC000832280327 604627037 /nfs/dbraw/zinc/62/70/37/604627037.db2.gz BHXSFKMWMDTDSY-CSKARUKUSA-N -1 0 342.347 3.307 20 30 EGEDRM C[C@H](CN(Cc1ccccc1)c1ccc(Cl)c(C#N)n1)C(=O)[O-] ZINC000827456453 604632985 /nfs/dbraw/zinc/63/29/85/604632985.db2.gz WSEFHJVJWMEREN-GFCCVEGCSA-N -1 0 329.787 3.334 20 30 EGEDRM CC(C)C[C@@H](NC(=O)[O-])C(=O)OCc1ccccc1C(C)(C)C#N ZINC000826807532 604690225 /nfs/dbraw/zinc/69/02/25/604690225.db2.gz OLIUFVYQZCLOCV-OAHLLOKOSA-N -1 0 332.400 3.213 20 30 EGEDRM Cc1ccc(Cl)c(N)c1C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000832935383 604692318 /nfs/dbraw/zinc/69/23/18/604692318.db2.gz ZYQQETPXPFUDRQ-HNNXBMFYSA-N -1 0 344.754 3.085 20 30 EGEDRM CC[C@@H](C#N)Oc1cc(CNc2cccc(C(=O)[O-])n2)ccc1OC ZINC000833636416 604713138 /nfs/dbraw/zinc/71/31/38/604713138.db2.gz QRHCPCPOZLQNFD-ZDUSSCGKSA-N -1 0 341.367 3.081 20 30 EGEDRM C=CCNc1ncc(C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)s1 ZINC000825692281 604741945 /nfs/dbraw/zinc/74/19/45/604741945.db2.gz PISUCRJPPLRVMZ-UHFFFAOYSA-N -1 0 346.412 3.103 20 30 EGEDRM CN(Cc1ccc(C#N)o1)[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC000833696619 604775825 /nfs/dbraw/zinc/77/58/25/604775825.db2.gz ORUIDDWBOQOEQG-AWEZNQCLSA-N -1 0 349.184 3.171 20 30 EGEDRM CN(Cc1ccc(C#N)o1)[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC000833696620 604775937 /nfs/dbraw/zinc/77/59/37/604775937.db2.gz ORUIDDWBOQOEQG-CQSZACIVSA-N -1 0 349.184 3.171 20 30 EGEDRM C=C(C)CNC(=S)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000833369464 605036711 /nfs/dbraw/zinc/03/67/11/605036711.db2.gz ZRRCNWYTJOOPBQ-UHFFFAOYSA-N -1 0 329.219 3.010 20 30 EGEDRM C=CCn1c(S[C@@H](C(=O)[O-])C2CC2)nnc1-c1ccc(F)cc1 ZINC000833381004 605070669 /nfs/dbraw/zinc/07/06/69/605070669.db2.gz XLWBEDLTCVBJLD-CYBMUJFWSA-N -1 0 333.388 3.226 20 30 EGEDRM CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000833696457 605135040 /nfs/dbraw/zinc/13/50/40/605135040.db2.gz MTVBXJKPQSEVRI-UHFFFAOYSA-N -1 0 327.315 3.059 20 30 EGEDRM C=C(Cl)C[S@](=O)Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000833369749 605145878 /nfs/dbraw/zinc/14/58/78/605145878.db2.gz DIKGQMYZAPVUJD-NRFANRHFSA-N -1 0 325.773 3.041 20 30 EGEDRM C=CCOc1cccnc1C(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC000833378717 605146945 /nfs/dbraw/zinc/14/69/45/605146945.db2.gz LDRCECPKWCXMEU-UHFFFAOYSA-N -1 0 332.743 3.250 20 30 EGEDRM CC(C)(C#N)CCN1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000833409069 605190462 /nfs/dbraw/zinc/19/04/62/605190462.db2.gz YWXREZMBSSJQLU-INIZCTEOSA-N -1 0 349.862 3.023 20 30 EGEDRM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)c2c[nH]c(C#N)c2)cc1 ZINC000833450767 605216192 /nfs/dbraw/zinc/21/61/92/605216192.db2.gz ZPDACMHFHJLRFW-INIZCTEOSA-N -1 0 339.395 3.130 20 30 EGEDRM C#CCCCCCC(=O)N1CCN(c2ccc(C(=O)[O-])cc2)C[C@@H]1C ZINC000833362043 605602946 /nfs/dbraw/zinc/60/29/46/605602946.db2.gz WUAOZHDJIAAJGO-INIZCTEOSA-N -1 0 342.439 3.006 20 30 EGEDRM O=C(C=Cc1cc(-c2nn[nH]n2)cs1)c1cc(Cl)ccc1[O-] ZINC000822922801 606857298 /nfs/dbraw/zinc/85/72/98/606857298.db2.gz JXAHZOYZONCUTI-DUXPYHPUSA-N -1 0 332.772 3.183 20 30 EGEDRM COc1ccc(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1CC(=O)[O-] ZINC000013066819 1291135725 /nfs/dbraw/zinc/13/57/25/1291135725.db2.gz FOAGJOKPKJCJFZ-FNORWQNLSA-N -1 0 341.319 3.127 20 30 EGEDRM COc1cccc(C(=O)/C=C\c2cc(OC)c([O-])c([N+](=O)[O-])c2)c1 ZINC000035405033 1291394360 /nfs/dbraw/zinc/39/43/60/1291394360.db2.gz BWQPGYMDMGDRMA-SREVYHEPSA-N -1 0 329.308 3.214 20 30 EGEDRM C=CCN1C(=O)c2ccccc2N[C@@H]1c1cc([N+](=O)[O-])ccc1[O-] ZINC000041864172 1291424337 /nfs/dbraw/zinc/42/43/37/1291424337.db2.gz KKSPQPAXEWQMPB-INIZCTEOSA-N -1 0 325.324 3.053 20 30 EGEDRM Cc1cccc(C)c1OCC(=O)[N-]S(=O)(=O)c1cccs1 ZINC000042244021 1291437070 /nfs/dbraw/zinc/43/70/70/1291437070.db2.gz MXNUUHBHRAWCSP-UHFFFAOYSA-N -1 0 325.411 3.089 20 30 EGEDRM O=C([N-]S(=O)(=O)Cc1ccc(F)cc1)c1cc2ccccc2o1 ZINC000045099742 1291505589 /nfs/dbraw/zinc/50/55/89/1291505589.db2.gz XRLPPDPWGXYHFB-UHFFFAOYSA-N -1 0 333.340 3.407 20 30 EGEDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)CCCOc1ccccc1 ZINC000046928033 1291556361 /nfs/dbraw/zinc/55/63/61/1291556361.db2.gz IAALTQWKYLWHAK-UHFFFAOYSA-N -1 0 333.409 3.499 20 30 EGEDRM C[C@H](OCc1ccccc1)C(=O)[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000048454567 1291605532 /nfs/dbraw/zinc/60/55/32/1291605532.db2.gz AMROWQIXKYRTCI-LBPRGKRZSA-N -1 0 337.372 3.076 20 30 EGEDRM CS(=O)(=O)[N-]C(=O)c1sc(-c2ccco2)nc1-c1ccccc1 ZINC000048480769 1291607029 /nfs/dbraw/zinc/60/70/29/1291607029.db2.gz RTHUZKYMUGMVQI-UHFFFAOYSA-N -1 0 348.405 3.334 20 30 EGEDRM Cc1occc1C(=O)[N-]S(=O)(=O)c1ccccc1Br ZINC000048519591 1291609336 /nfs/dbraw/zinc/60/93/36/1291609336.db2.gz FZRDCXQCICENHT-UHFFFAOYSA-N -1 0 344.186 3.044 20 30 EGEDRM O=C(COC1CCCCC1)[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000048613166 1291613391 /nfs/dbraw/zinc/61/33/91/1291613391.db2.gz UBVPPNZRNPWECJ-UHFFFAOYSA-N -1 0 337.441 3.170 20 30 EGEDRM N#Cc1cccc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCCC3)c1 ZINC000048614886 1291613508 /nfs/dbraw/zinc/61/35/08/1291613508.db2.gz ZZFVQWAIAVYZLC-UHFFFAOYSA-N -1 0 340.404 3.131 20 30 EGEDRM Cc1noc(C)c1C(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000048614164 1291613853 /nfs/dbraw/zinc/61/38/53/1291613853.db2.gz GOHVEKAUSVKRBW-UHFFFAOYSA-N -1 0 348.302 3.004 20 30 EGEDRM C=C(C)COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000057476430 1291854564 /nfs/dbraw/zinc/85/45/64/1291854564.db2.gz XPJRDINIMBPDNJ-UHFFFAOYSA-N -1 0 349.383 3.359 20 30 EGEDRM O=C([O-])CCOc1cccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000060212469 1291919347 /nfs/dbraw/zinc/91/93/47/1291919347.db2.gz IVOMOHQYIOOMMV-BQYQJAHWSA-N -1 0 341.319 3.344 20 30 EGEDRM CC(=CC(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000065643754 1292083952 /nfs/dbraw/zinc/08/39/52/1292083952.db2.gz QHBFMZYMJIRVOC-BENRWUELSA-N -1 0 344.367 3.446 20 30 EGEDRM CCO[C@H](CC)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000066504438 1292118523 /nfs/dbraw/zinc/11/85/23/1292118523.db2.gz SQHCGMBIZRFPIO-OAHLLOKOSA-N -1 0 325.430 3.026 20 30 EGEDRM CCS[C@H](C(=O)[N-]S(=O)(=O)Cc1ccc(F)cc1)C(C)C ZINC000067600393 1292163594 /nfs/dbraw/zinc/16/35/94/1292163594.db2.gz WNEXRBBQUXIWEY-ZDUSSCGKSA-N -1 0 333.450 3.390 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCOc3ccccc32)c(F)c1 ZINC000075040411 1292380243 /nfs/dbraw/zinc/38/02/43/1292380243.db2.gz BSDLRWUVVOACJW-ZDUSSCGKSA-N -1 0 349.383 3.346 20 30 EGEDRM CCOc1ccc(CC(=O)[N-]S(=O)(=O)c2ccccc2F)cc1 ZINC000075799150 1292410661 /nfs/dbraw/zinc/41/06/61/1292410661.db2.gz BVZQZNWCHKHBKL-UHFFFAOYSA-N -1 0 337.372 3.112 20 30 EGEDRM O=C([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C1CC=CC1 ZINC000077943699 1292490930 /nfs/dbraw/zinc/49/09/30/1292490930.db2.gz GFAKZMZVGMFING-UHFFFAOYSA-N -1 0 337.294 3.456 20 30 EGEDRM Cn1ccc2c1cccc2C(=O)[N-]S(=O)(=O)c1ccccc1F ZINC000077940547 1292491553 /nfs/dbraw/zinc/49/15/53/1292491553.db2.gz KGXACGJJOKWQGF-UHFFFAOYSA-N -1 0 332.356 3.011 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nc(-c3ccco3)cs2)cc1 ZINC000079270652 1292552269 /nfs/dbraw/zinc/55/22/69/1292552269.db2.gz NOYZYAULGYBHNJ-UHFFFAOYSA-N -1 0 331.378 3.076 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2cc(C)ccc2F)c(F)c1 ZINC000080667416 1292613616 /nfs/dbraw/zinc/61/36/16/1292613616.db2.gz KBEGWOVIXPEYGE-UHFFFAOYSA-N -1 0 325.336 3.275 20 30 EGEDRM O=C(CCC(F)(F)F)[N-]S(=O)(=O)Cc1ccccc1Cl ZINC000083791833 1292690693 /nfs/dbraw/zinc/69/06/93/1292690693.db2.gz MCAKZIYQBYCHQQ-UHFFFAOYSA-N -1 0 329.727 3.469 20 30 EGEDRM O=C([N-]S(=O)(=O)Cc1ccccc1Cl)c1ccnc(Cl)c1 ZINC000083791778 1292690627 /nfs/dbraw/zinc/69/06/27/1292690627.db2.gz RJJNZGMFIXYTOH-UHFFFAOYSA-N -1 0 345.207 3.223 20 30 EGEDRM O=C([N-]S(=O)(=O)C1CCCC1)C1(c2cccc(F)c2)CCC1 ZINC000086054964 1292727591 /nfs/dbraw/zinc/72/75/91/1292727591.db2.gz UBMBNOHGHLKXOE-UHFFFAOYSA-N -1 0 325.405 3.476 20 30 EGEDRM Cc1ccccc1OCCCC(=O)[N-]S(=O)(=O)C1CCCC1 ZINC000086055547 1292728355 /nfs/dbraw/zinc/72/83/55/1292728355.db2.gz PLRAJDRWAOURPR-UHFFFAOYSA-N -1 0 325.430 3.383 20 30 EGEDRM Cn1cc(/C=C\C(=O)c2csc(C(=O)[O-])c2)c(-c2ccncc2)n1 ZINC000098055799 1292962436 /nfs/dbraw/zinc/96/24/36/1292962436.db2.gz JNQFFOSNXNSUDF-IHWYPQMZSA-N -1 0 339.376 3.138 20 30 EGEDRM CC(=NN[C@@H]1CCOC1(C)C)c1cc(Br)c(F)cc1[O-] ZINC000835017620 1293188237 /nfs/dbraw/zinc/18/82/37/1293188237.db2.gz QJQBETITNAYFBK-CYBMUJFWSA-N -1 0 345.212 3.175 20 30 EGEDRM C=CCC1(C(=O)[N-]S(=O)(=O)c2ccccc2Cl)CCCC1 ZINC000835036117 1293192127 /nfs/dbraw/zinc/19/21/27/1293192127.db2.gz IELXMQXHOYHJGG-UHFFFAOYSA-N -1 0 327.833 3.281 20 30 EGEDRM C=CC[C@@H](C(=O)[N-]S(=O)(=O)CCC1CCCC1)c1ccccc1 ZINC000835949908 1293409169 /nfs/dbraw/zinc/40/91/69/1293409169.db2.gz JYRXMJUSZDQZLE-QGZVFWFLSA-N -1 0 335.469 3.373 20 30 EGEDRM CC[C@H](C#N)Oc1cccc(CNC(=O)c2ccc(F)cc2[O-])c1 ZINC000123802142 1293455249 /nfs/dbraw/zinc/45/52/49/1293455249.db2.gz UALSEDFYTGKIRH-CQSZACIVSA-N -1 0 328.343 3.142 20 30 EGEDRM CN(C)C(=O)Nc1cccc(C/N=C/c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000125173463 1293498740 /nfs/dbraw/zinc/49/87/40/1293498740.db2.gz AJWXEXKXJJRPPV-WOJGMQOQSA-N -1 0 342.355 3.013 20 30 EGEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1ccc(C(F)(F)F)cc1 ZINC000126617640 1293540044 /nfs/dbraw/zinc/54/00/44/1293540044.db2.gz VFKDSYHXGIDCGQ-OAHLLOKOSA-N -1 0 346.308 3.344 20 30 EGEDRM COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1ccco1 ZINC000128280154 1293588376 /nfs/dbraw/zinc/58/83/76/1293588376.db2.gz AFXUNALTRXABDU-JTQLQIEISA-N -1 0 332.743 3.211 20 30 EGEDRM N#CC(C(=O)NC1CC1)=C([O-])c1csc(-c2ccc(Cl)cc2)n1 ZINC000129284774 1293620001 /nfs/dbraw/zinc/62/00/01/1293620001.db2.gz PJJJWXHSDLKAKT-GFCCVEGCSA-N -1 0 345.811 3.065 20 30 EGEDRM C=C[C@H](CC(=O)[N-]S(=O)(=O)c1ccc(C)c(C)c1)c1ccccc1 ZINC000136007145 1293807763 /nfs/dbraw/zinc/80/77/63/1293807763.db2.gz IUSAUMXTOLXKNF-MRXNPFEDSA-N -1 0 343.448 3.468 20 30 EGEDRM O=C(/C=C/c1ccc([O-])c([N+](=O)[O-])c1)c1c(Cl)nc2ccccn21 ZINC000150956466 1293899915 /nfs/dbraw/zinc/89/99/15/1293899915.db2.gz HFXGVQBDRNMABK-FNORWQNLSA-N -1 0 343.726 3.498 20 30 EGEDRM CC[C@H](C)[C@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])C(=O)OC(C)(C)C ZINC000157147302 1294170043 /nfs/dbraw/zinc/17/00/43/1294170043.db2.gz UEPCZJCXEUQOCQ-JHULLWELSA-N -1 0 336.388 3.476 20 30 EGEDRM CCCOc1ccc(OCC(=O)Nc2cc(C#N)ccc2[O-])cc1 ZINC000176403089 1294604053 /nfs/dbraw/zinc/60/40/53/1294604053.db2.gz ISZDCEMTNGRNLR-UHFFFAOYSA-N -1 0 326.352 3.070 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)[C@@H]2COc3ccc(Cl)cc3C2)c1 ZINC000176396486 1294604182 /nfs/dbraw/zinc/60/41/82/1294604182.db2.gz QLDKLKYMZKJOQR-LBPRGKRZSA-N -1 0 328.755 3.107 20 30 EGEDRM C[C@H](Oc1ccc(F)cc1Cl)C(=O)Nc1cc(C#N)ccc1[O-] ZINC000176818407 1294633490 /nfs/dbraw/zinc/63/34/90/1294633490.db2.gz MLWIOSAEXGIXIV-VIFPVBQESA-N -1 0 334.734 3.462 20 30 EGEDRM CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1cc(C#N)ccc1[O-] ZINC000176819044 1294634395 /nfs/dbraw/zinc/63/43/95/1294634395.db2.gz FQJKEOPICSRGKW-SFHVURJKSA-N -1 0 347.374 3.167 20 30 EGEDRM COc1ccccc1-c1ccc(C([O-])=C(C#N)C(=O)NC2CC2)s1 ZINC000870142844 1295698895 /nfs/dbraw/zinc/69/88/95/1295698895.db2.gz NLULMRYNUIMPPA-CYBMUJFWSA-N -1 0 340.404 3.025 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(Br)cc1 ZINC000193367549 1295856032 /nfs/dbraw/zinc/85/60/32/1295856032.db2.gz RNEYXGRYHZPCHE-ZDUSSCGKSA-N -1 0 337.217 3.078 20 30 EGEDRM COc1ccc(/C=C\C(=O)c2cccc(OCC(=O)[O-])c2)c(OC)c1 ZINC000213720990 1296112363 /nfs/dbraw/zinc/11/23/63/1296112363.db2.gz OVNMSCVQDPGXRV-CLFYSBASSA-N -1 0 342.347 3.063 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2csc(-c3ccsc3)n2)C(=O)O1 ZINC000222044790 1296128478 /nfs/dbraw/zinc/12/84/78/1296128478.db2.gz IDHNCLZVIKBVIY-PYLYLYNFSA-N -1 0 345.401 3.100 20 30 EGEDRM C#CCOc1ccc(NC(=O)CC2(CC(=O)[O-])CCCCC2)cc1 ZINC000238090623 1296277303 /nfs/dbraw/zinc/27/73/03/1296277303.db2.gz FXNHICCBILOUKC-UHFFFAOYSA-N -1 0 329.396 3.452 20 30 EGEDRM COc1ccc(C(=O)/C=C\c2ccc([N+](=O)[O-])c([O-])c2)cc1OC ZINC000255051760 1296492182 /nfs/dbraw/zinc/49/21/82/1296492182.db2.gz FSJPATIWFPFHKB-DAXSKMNVSA-N -1 0 329.308 3.214 20 30 EGEDRM N#CC(=C([O-])C=Cc1cccnc1)c1nc(-c2ccncc2)cs1 ZINC000255205189 1296509201 /nfs/dbraw/zinc/50/92/01/1296509201.db2.gz VLCRWOCKMLGSID-ABCZVMIZSA-N -1 0 332.388 3.490 20 30 EGEDRM COCCCOc1ccccc1N=Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000255312040 1296517799 /nfs/dbraw/zinc/51/77/99/1296517799.db2.gz XFGQNXJUECADST-UHFFFAOYSA-N -1 0 330.340 3.466 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2csc(-c3cccs3)n2)C(=O)O1 ZINC000255312125 1296518595 /nfs/dbraw/zinc/51/85/95/1296518595.db2.gz GALLPATXMWTODS-WSNITJDQSA-N -1 0 345.401 3.100 20 30 EGEDRM Cc1ccccc1/C=C\C(=O)c1ccc([O-])c(CN2CCOCC2)c1 ZINC000255674403 1296559974 /nfs/dbraw/zinc/55/99/74/1296559974.db2.gz IQRZERZGFVGMOE-VURMDHGXSA-N -1 0 337.419 3.429 20 30 EGEDRM O=C([O-])COc1ccc(/C=C2\COc3c(F)ccc(F)c3C2=O)cc1 ZINC000588425670 1298065017 /nfs/dbraw/zinc/06/50/17/1298065017.db2.gz JPRISTOSWDJRFI-YRNVUSSQSA-N -1 0 346.285 3.087 20 30 EGEDRM COCCN(C)c1ccc(/C=C\C(=O)c2ccc([O-])c(Cl)c2)cn1 ZINC000588580046 1298087660 /nfs/dbraw/zinc/08/76/60/1298087660.db2.gz ACKQMLCVTSQBEX-UTCJRWHESA-N -1 0 346.814 3.419 20 30 EGEDRM N#Cc1cc([N-]S(=O)(=O)c2cccs2)ccc1Br ZINC000690200116 1298128890 /nfs/dbraw/zinc/12/88/90/1298128890.db2.gz FXPKHYKSJRSEPI-UHFFFAOYSA-N -1 0 343.227 3.183 20 30 EGEDRM CC(C)COc1cccc(OCC(=O)Nc2cc(C#N)ccc2[O-])c1 ZINC000746290371 1298564066 /nfs/dbraw/zinc/56/40/66/1298564066.db2.gz HQVIBQFRPAEIQF-UHFFFAOYSA-N -1 0 340.379 3.316 20 30 EGEDRM C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cc(C)cc(F)c1 ZINC000747617263 1298810309 /nfs/dbraw/zinc/81/03/09/1298810309.db2.gz UQRKJKRFCIWEDK-UHFFFAOYSA-N -1 0 337.347 3.086 20 30 EGEDRM O=C([O-])CCOc1cccc(C=NNc2cc(F)c(F)c(F)c2)c1 ZINC000747641888 1298814445 /nfs/dbraw/zinc/81/44/45/1298814445.db2.gz HCGDYXVGWOXVDD-UHFFFAOYSA-N -1 0 338.285 3.403 20 30 EGEDRM Cc1c(C(=O)/C=C/c2cc(F)c([O-])c(F)c2)nnn1-c1ccccc1 ZINC000749891488 1299294433 /nfs/dbraw/zinc/29/44/33/1299294433.db2.gz LPOUJCYLWUVLOT-BQYQJAHWSA-N -1 0 341.317 3.456 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)c2nccnc2Sc2ccccc2)c1 ZINC000752681478 1299777646 /nfs/dbraw/zinc/77/76/46/1299777646.db2.gz XZIKMKKXHODKGB-UHFFFAOYSA-N -1 0 348.387 3.457 20 30 EGEDRM COc1ccccc1NC(=S)NN=Cc1cccc(Cl)c1[O-] ZINC000753161617 1299885719 /nfs/dbraw/zinc/88/57/19/1299885719.db2.gz SGUKONZVDFDUQJ-UHFFFAOYSA-N -1 0 335.816 3.375 20 30 EGEDRM CC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1ccc(Cl)c(Cl)c1[O-] ZINC000753937815 1300047373 /nfs/dbraw/zinc/04/73/73/1300047373.db2.gz HNQPMQDGYXPLNO-VXGBXAGGSA-N -1 0 341.242 3.283 20 30 EGEDRM O=C([O-])c1ccc(NN=Cc2c[nH]nc2-c2c(F)cccc2F)cc1 ZINC000755455006 1300341080 /nfs/dbraw/zinc/34/10/80/1300341080.db2.gz JNMCTLRPWRITPC-UHFFFAOYSA-N -1 0 342.305 3.499 20 30 EGEDRM COc1ccccc1NC(=S)NN=C(C)c1ccccc1C(=O)[O-] ZINC000757450559 1300671673 /nfs/dbraw/zinc/67/16/73/1300671673.db2.gz DLHVRTFBAKOFNW-UHFFFAOYSA-N -1 0 343.408 3.104 20 30 EGEDRM COc1cc2c(cc1/C=C/C(=O)c1ccc(O)cc1[O-])O[C@H](C)C2 ZINC000757472579 1300675125 /nfs/dbraw/zinc/67/51/25/1300675125.db2.gz OWUJPCJHXBAIHS-ZXCPCRMDSA-N -1 0 326.348 3.326 20 30 EGEDRM O=C(/C=C/c1c(Cl)nc2ccccn12)c1cc([N+](=O)[O-])ccc1[O-] ZINC000759089914 1301013176 /nfs/dbraw/zinc/01/31/76/1301013176.db2.gz IKLNTNYDOSSZQZ-FNORWQNLSA-N -1 0 343.726 3.498 20 30 EGEDRM Fc1cc(C=Nn2c(=S)[n-]nc2C(F)(F)F)c2ncccc2c1 ZINC000760231355 1301237384 /nfs/dbraw/zinc/23/73/84/1301237384.db2.gz LVPYPZUZDXISDP-UHFFFAOYSA-N -1 0 341.293 3.155 20 30 EGEDRM CC(=NN1CCOCC1)c1ccc(Oc2ccc(C(=O)[O-])cc2)cc1 ZINC000760241196 1301237923 /nfs/dbraw/zinc/23/79/23/1301237923.db2.gz AIKFPHOVQSVMSG-UHFFFAOYSA-N -1 0 340.379 3.233 20 30 EGEDRM CCC(N=Nc1nnc(-c2ccccc2)n1C)c1ccc(C(=O)[O-])cc1 ZINC000760244445 1301238920 /nfs/dbraw/zinc/23/89/20/1301238920.db2.gz YBYYBBUQMYCVDI-UHFFFAOYSA-N -1 0 349.394 3.407 20 30 EGEDRM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1F ZINC000760343320 1301257540 /nfs/dbraw/zinc/25/75/40/1301257540.db2.gz QPHZZEZFZLYPQE-UHFFFAOYSA-N -1 0 349.343 3.023 20 30 EGEDRM CC(C)OCCCNC(=O)C(C#N)=C([O-])c1ccc2sccc2c1 ZINC000761026961 1301385173 /nfs/dbraw/zinc/38/51/73/1301385173.db2.gz XRWZFORLJTVBBL-OAHLLOKOSA-N -1 0 344.436 3.155 20 30 EGEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(O)cc1OC(C)C ZINC000761996791 1301585868 /nfs/dbraw/zinc/58/58/68/1301585868.db2.gz YTHGXOFNPYEVKD-UHFFFAOYSA-N -1 0 346.408 3.160 20 30 EGEDRM O=C([O-])c1ccc2c(c1)n[nH]c2C=NNc1ccc2ccccc2n1 ZINC000765547487 1302282269 /nfs/dbraw/zinc/28/22/69/1302282269.db2.gz AXRJPLWDTICGRU-UHFFFAOYSA-N -1 0 331.335 3.255 20 30 EGEDRM N#CCOc1cccc([N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)c1 ZINC000769865439 1303185869 /nfs/dbraw/zinc/18/58/69/1303185869.db2.gz ILRRYZWLKPWKFZ-UHFFFAOYSA-N -1 0 345.355 3.010 20 30 EGEDRM COc1cc(/C=C/C(=O)c2ccc(C(=O)[O-])s2)ccc1[N+](=O)[O-] ZINC000770571035 1303286959 /nfs/dbraw/zinc/28/69/59/1303286959.db2.gz NPNXUGGIZJHEBA-HWKANZROSA-N -1 0 333.321 3.259 20 30 EGEDRM COc1cc(/C=C/C(=O)c2cc([N+](=O)[O-])ccc2[O-])ccc1[N+](=O)[O-] ZINC000770574710 1303287703 /nfs/dbraw/zinc/28/77/03/1303287703.db2.gz LNNOZJMAVHZUIG-ZZXKWVIFSA-N -1 0 344.279 3.113 20 30 EGEDRM C=CCS(=O)(=O)[N-]C(=O)C[C@@H](Cc1ccccc1)c1ccccc1 ZINC000772724286 1303568901 /nfs/dbraw/zinc/56/89/01/1303568901.db2.gz YARZFTSFFRKHCI-GOSISDBHSA-N -1 0 343.448 3.035 20 30 EGEDRM C=CCS(=O)(=O)[N-]C(=O)C[C@H](Cc1ccccc1)c1ccccc1 ZINC000772724287 1303568938 /nfs/dbraw/zinc/56/89/38/1303568938.db2.gz YARZFTSFFRKHCI-SFHVURJKSA-N -1 0 343.448 3.035 20 30 EGEDRM CC(=O)c1ccc(C(=O)C(C#N)=C([O-])c2c(C)[nH]c3ccccc32)o1 ZINC000774036378 1303766100 /nfs/dbraw/zinc/76/61/00/1303766100.db2.gz HCOQADXTIPYAMQ-CYBMUJFWSA-N -1 0 334.331 3.477 20 30 EGEDRM CC(=O)c1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)o1 ZINC000774043164 1303767231 /nfs/dbraw/zinc/76/72/31/1303767231.db2.gz NCISNZQQMMIDOI-LBPRGKRZSA-N -1 0 330.727 3.097 20 30 EGEDRM CCCCCCCCC(=O)[N-]S(=O)(=O)c1ccccc1COC ZINC000779299426 1304554006 /nfs/dbraw/zinc/55/40/06/1304554006.db2.gz JTVJNGIFHAZESW-UHFFFAOYSA-N -1 0 341.473 3.389 20 30 EGEDRM N#CC1(CS(=O)(=O)[N-]C(=O)c2ccc3sccc3c2)CCCC1 ZINC000779314195 1304554982 /nfs/dbraw/zinc/55/49/82/1304554982.db2.gz GQWVGZZQRXKJSM-UHFFFAOYSA-N -1 0 348.449 3.045 20 30 EGEDRM CC(C)(C)c1ccc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCCC2)cc1 ZINC000779317958 1304554998 /nfs/dbraw/zinc/55/49/98/1304554998.db2.gz LYGGJFAJUVFOBE-UHFFFAOYSA-N -1 0 348.468 3.128 20 30 EGEDRM O=C([O-])c1cc(/C=C\C(=O)c2c(Cl)nc3sccn32)ccc1O ZINC000779357690 1304560715 /nfs/dbraw/zinc/56/07/15/1304560715.db2.gz BXQBQMRYBJWZGP-RQOWECAXSA-N -1 0 348.767 3.349 20 30 EGEDRM C#CCCCCCC(=O)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000780299294 1304673928 /nfs/dbraw/zinc/67/39/28/1304673928.db2.gz QYTYRFKQZWEYIS-UHFFFAOYSA-N -1 0 347.358 3.094 20 30 EGEDRM O=C([N-]OCC(F)(F)F)C1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000780926189 1304752617 /nfs/dbraw/zinc/75/26/17/1304752617.db2.gz NBCJQUKDCVOICR-UHFFFAOYSA-N -1 0 345.214 3.486 20 30 EGEDRM Cc1ccc(Oc2ccc(C([O-])=C(C#N)C(=O)NC(C)C)cc2)nc1 ZINC000892499178 1305408165 /nfs/dbraw/zinc/40/81/65/1305408165.db2.gz STEGSZAVUYUSJR-INIZCTEOSA-N -1 0 337.379 3.029 20 30 EGEDRM Cc1cnc2c(C([O-])=C(C#N)c3nc(C(C)C)cs3)cnn2c1 ZINC000892800117 1305557490 /nfs/dbraw/zinc/55/74/90/1305557490.db2.gz ABVXHUADXIEWRZ-LLVKDONJSA-N -1 0 325.397 3.108 20 30 EGEDRM C=C[C@](C)(CC)COC(=O)c1ccc2c(c1)[n-]c(=S)n(CC)c2=O ZINC000786531558 1305591837 /nfs/dbraw/zinc/59/18/37/1305591837.db2.gz ZRWBQKVJNSISTO-GOSISDBHSA-N -1 0 346.452 3.464 20 30 EGEDRM Cc1nc(C)c(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)s1 ZINC000786535992 1305593126 /nfs/dbraw/zinc/59/31/26/1305593126.db2.gz WZYORFGWXANZAE-ZDUSSCGKSA-N -1 0 347.827 3.052 20 30 EGEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2coc3ccccc23)c1 ZINC000786538540 1305593213 /nfs/dbraw/zinc/59/32/13/1305593213.db2.gz FWEUFMHEJULNRN-INIZCTEOSA-N -1 0 332.359 3.380 20 30 EGEDRM CCCc1ncc(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)s1 ZINC000786553345 1305596834 /nfs/dbraw/zinc/59/68/34/1305596834.db2.gz UFJGYOZLWGTTRD-AWEZNQCLSA-N -1 0 341.436 3.043 20 30 EGEDRM Cc1ccc(C([O-])=C(C#N)C(=O)NCc2ccc(F)c(F)c2)c(C)c1 ZINC000786573378 1305602297 /nfs/dbraw/zinc/60/22/97/1305602297.db2.gz YJZAUICNLGSSKL-OAHLLOKOSA-N -1 0 342.345 3.221 20 30 EGEDRM CC(=NOC[C@H]1CCOC1)c1cc(Br)c(F)cc1[O-] ZINC000788032603 1305851552 /nfs/dbraw/zinc/85/15/52/1305851552.db2.gz UZQIOWKYRQLMGT-VIFPVBQESA-N -1 0 332.169 3.071 20 30 EGEDRM O=C([O-])[C@H]1CCC(=NNc2ccnc3ccccc32)c2ccccc21 ZINC000789003739 1306062023 /nfs/dbraw/zinc/06/20/23/1306062023.db2.gz IPDRAVPXKBAULI-HNNXBMFYSA-N -1 0 331.375 3.435 20 30 EGEDRM Cc1nn(C)c(C=CC(=O)c2sccc2[O-])c1Br ZINC000790610107 1306361293 /nfs/dbraw/zinc/36/12/93/1306361293.db2.gz RMNOQEANWPWSHJ-ONEGZZNKSA-N -1 0 327.203 3.154 20 30 EGEDRM CCCCCCC[C@H](CC(=O)[O-])NS(=O)(=O)c1ccccc1 ZINC000792564601 1309188945 /nfs/dbraw/zinc/18/89/45/1309188945.db2.gz ZIKJNUDPUNLSLD-CQSZACIVSA-N -1 0 327.446 3.169 20 30 EGEDRM O=c1c2ccccc2[n-]c(=S)n1N=Cc1ccc2c(c1)CCCC2 ZINC000792960350 1309271296 /nfs/dbraw/zinc/27/12/96/1309271296.db2.gz SYSMCTYPRHYKFS-UHFFFAOYSA-N -1 0 335.432 3.446 20 30 EGEDRM CC[C@@H](NN=CC1=Cc2cc(Cl)cc(Cl)c2OC1)C(=O)[O-] ZINC000793074019 1309290836 /nfs/dbraw/zinc/29/08/36/1309290836.db2.gz ZNXZNYLCIYGRCU-GFCCVEGCSA-N -1 0 329.183 3.208 20 30 EGEDRM CC[C@H](NN=Cc1cc(Cl)ccc1OCc1cccnc1)C(=O)[O-] ZINC000793078436 1309292063 /nfs/dbraw/zinc/29/20/63/1309292063.db2.gz MAZIOTPVVXEWCW-HNNXBMFYSA-N -1 0 347.802 3.101 20 30 EGEDRM C[C@H](Oc1ccc(/C=C2/CCc3ccc(O)cc3C2=O)cc1)C(=O)[O-] ZINC000794713684 1309579832 /nfs/dbraw/zinc/57/98/32/1309579832.db2.gz OITXYYUJQMUVGL-GQVHDAKQSA-N -1 0 338.359 3.457 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)N[C@@H](C)c1oc2ccc(OC)cc2c1C ZINC000797718136 1310236510 /nfs/dbraw/zinc/23/65/10/1310236510.db2.gz AIGJWIBSZQKHCS-LBPRGKRZSA-N -1 0 346.383 3.093 20 30 EGEDRM CSc1ccccc1S(=O)(=O)[N-]c1cnc(Cl)cc1C#N ZINC000798212280 1310318226 /nfs/dbraw/zinc/31/82/26/1310318226.db2.gz XMWAYKQGAYEPMR-UHFFFAOYSA-N -1 0 339.829 3.129 20 30 EGEDRM COc1ccccc1CON=C(C)c1cc(C(=O)[O-])c(C)nc1C ZINC000799118848 1310490061 /nfs/dbraw/zinc/49/00/61/1310490061.db2.gz XMICENBMYKKNGV-UHFFFAOYSA-N -1 0 328.368 3.346 20 30 EGEDRM COc1ccc2c(c1OC)O/C(=C\c1cc(C(=O)[O-])cs1)C2=O ZINC000799500855 1310562557 /nfs/dbraw/zinc/56/25/57/1310562557.db2.gz JLCDACBNXAGYDF-SDQBBNPISA-N -1 0 332.333 3.080 20 30 EGEDRM Cc1ccc(C(=O)[N-]S(=O)(=O)c2cccc(C(C)C)c2)cc1C#N ZINC000799619633 1310588886 /nfs/dbraw/zinc/58/88/86/1310588886.db2.gz FPSPMRFZPHSUQJ-UHFFFAOYSA-N -1 0 342.420 3.109 20 30 EGEDRM C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cccc(OCC)c1 ZINC000799921474 1310638448 /nfs/dbraw/zinc/63/84/48/1310638448.db2.gz MATLDUXYEBSKRX-UHFFFAOYSA-N -1 0 349.383 3.037 20 30 EGEDRM N#Cc1cccc([N-]S(=O)(=O)c2cc3c(cc2Cl)CCC3=O)c1 ZINC000800831519 1310814967 /nfs/dbraw/zinc/81/49/67/1310814967.db2.gz HHWOADMQEPTAQT-UHFFFAOYSA-N -1 0 346.795 3.141 20 30 EGEDRM COc1ccc(CNN=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC000917548959 1319834268 /nfs/dbraw/zinc/83/42/68/1319834268.db2.gz PDXIWYAELZQZKC-UHFFFAOYSA-N -1 0 335.747 3.086 20 30 EGEDRM CC[C@@H](CC(F)(F)F)C(=O)OCC([O-])=C(C#N)c1nc(C)cs1 ZINC000838119959 1320730967 /nfs/dbraw/zinc/73/09/67/1320730967.db2.gz MHBZZPJENYFAKE-VHSXEESVSA-N -1 0 348.346 3.150 20 30 EGEDRM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1coc(C2CC2)n1 ZINC000802041990 1316976208 /nfs/dbraw/zinc/97/62/08/1316976208.db2.gz KNXGUACMNPOFTL-SNVBAGLBSA-N -1 0 347.733 3.306 20 30 EGEDRM Cc1nn(-c2ccccn2)c(C)c1C=NNc1ccc(C(=O)[O-])cc1 ZINC000802703945 1317026022 /nfs/dbraw/zinc/02/60/22/1317026022.db2.gz MDBMXHXAPBCCNP-UHFFFAOYSA-N -1 0 335.367 3.028 20 30 EGEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1occ2c1CCC2)c1ccccc1 ZINC000802799102 1317042783 /nfs/dbraw/zinc/04/27/83/1317042783.db2.gz FJRWJJNYZWBCKE-IAGOWNOFSA-N -1 0 336.391 3.358 20 30 EGEDRM CCn1cncc1/C=C\C(=O)c1cc(C(=O)[O-])ccc1OC(C)C ZINC000901542932 1317443172 /nfs/dbraw/zinc/44/31/72/1317443172.db2.gz SMTLMJAGSKBJHO-SREVYHEPSA-N -1 0 328.368 3.285 20 30 EGEDRM O=C([O-])[C@H]1C/C(=C/c2csc([N+](=O)[O-])c2)C(=O)c2ccccc21 ZINC000806563330 1317502385 /nfs/dbraw/zinc/50/23/85/1317502385.db2.gz UTZVMWCVXYSCFG-PRFOUVDFSA-N -1 0 329.333 3.495 20 30 EGEDRM Cc1nn(C)c2sc(C(=O)/C=C\c3ccc([N+](=O)[O-])c([O-])c3)cc12 ZINC000806576656 1317505496 /nfs/dbraw/zinc/50/54/96/1317505496.db2.gz FPBXFHWDZVBTPA-XQRVVYSFSA-N -1 0 343.364 3.453 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1N=NCc1c[nH]c(C(F)(F)F)c1 ZINC000807982061 1317607297 /nfs/dbraw/zinc/60/72/97/1317607297.db2.gz PXYDUNBLQILUOH-UHFFFAOYSA-N -1 0 327.262 3.186 20 30 EGEDRM C[C@@]1(CS(=O)(=O)[N-]c2ccc(F)cc2C#N)CC1(Cl)Cl ZINC000903105568 1317654929 /nfs/dbraw/zinc/65/49/29/1317654929.db2.gz DYKUYSZCEGHFBY-NSHDSACASA-N -1 0 337.203 3.023 20 30 EGEDRM Cc1sc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)CC3)c(C#N)c1C ZINC000903169075 1317667299 /nfs/dbraw/zinc/66/72/99/1317667299.db2.gz XWMDDENCBWVIMQ-UHFFFAOYSA-N -1 0 346.433 3.166 20 30 EGEDRM Cc1cc(C#N)c([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)s1 ZINC000903170219 1317667603 /nfs/dbraw/zinc/66/76/03/1317667603.db2.gz YCDANVLRJKUBHZ-VIFPVBQESA-N -1 0 334.422 3.052 20 30 EGEDRM Cc1c(C(=O)/C=C/c2ccc(O)c(C(=O)[O-])c2)cccc1[N+](=O)[O-] ZINC000809157883 1317776667 /nfs/dbraw/zinc/77/66/67/1317776667.db2.gz ORDOFWUYWDHPKY-FNORWQNLSA-N -1 0 327.292 3.203 20 30 EGEDRM COc1ccc2c(c1F)C/C(=C/c1cc([O-])ccc1[N+](=O)[O-])C2=O ZINC000809157674 1317777149 /nfs/dbraw/zinc/77/71/49/1317777149.db2.gz USDGZBOOHGXZIK-POHAHGRESA-N -1 0 329.283 3.271 20 30 EGEDRM N#CC(=C([O-])c1nnc2ccccc2n1)c1ccc2ccccc2n1 ZINC000810520193 1318016351 /nfs/dbraw/zinc/01/63/51/1318016351.db2.gz BRSLOMMBLPOBSS-CYBMUJFWSA-N -1 0 325.331 3.063 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2cc3cccc(Cl)c3o2)CC1 ZINC000810981621 1318085631 /nfs/dbraw/zinc/08/56/31/1318085631.db2.gz UTPLDYOETOBRCV-UHFFFAOYSA-N -1 0 339.800 3.255 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@H](CC(C)C)c2ccccc2)CC1 ZINC000810986001 1318086199 /nfs/dbraw/zinc/08/61/99/1318086199.db2.gz WJQOTHMTZNSHEZ-MRXNPFEDSA-N -1 0 335.469 3.371 20 30 EGEDRM O=C([O-])c1cc(/C=C\C(=O)c2ccc(Br)nc2)ccc1O ZINC000811696422 1318229665 /nfs/dbraw/zinc/22/96/65/1318229665.db2.gz MPZMHYBKQDAPGE-RJRFIUFISA-N -1 0 348.152 3.144 20 30 EGEDRM O=C([O-])COc1cccc(/C=C2/Oc3cccc(Cl)c3C2=O)c1 ZINC000811699499 1318230543 /nfs/dbraw/zinc/23/05/43/1318230543.db2.gz SLOBZWIUUSVOAA-RIYZIHGNSA-N -1 0 330.723 3.420 20 30 EGEDRM CCOc1ccc(C[C@@H](CNc2ccc(C#N)c(C)n2)C(=O)[O-])cc1 ZINC000910409122 1318626577 /nfs/dbraw/zinc/62/65/77/1318626577.db2.gz NQNZEPCAIKIKNI-INIZCTEOSA-N -1 0 339.395 3.016 20 30 EGEDRM O=C([O-])c1ccc2c(c1)CCCC2N=Nc1nncc2ccccc21 ZINC000814705455 1318801961 /nfs/dbraw/zinc/80/19/61/1318801961.db2.gz BWWGIABTNRCUMU-UHFFFAOYSA-N -1 0 332.363 3.481 20 30 EGEDRM Cc1ccc(NC(=S)NN=C2CC[C@H](C(=O)[O-])[C@@H](C)C2)cc1C ZINC000814713555 1318802835 /nfs/dbraw/zinc/80/28/35/1318802835.db2.gz QZAZTIVGYHRWRW-WFASDCNBSA-N -1 0 333.457 3.467 20 30 EGEDRM C[C@H]1C(=NNC(=S)NCc2ccccc2)CC[C@H](C(=O)[O-])C1(C)C ZINC000814715004 1318803404 /nfs/dbraw/zinc/80/34/04/1318803404.db2.gz WUQMRTABRFELLS-GXTWGEPZSA-N -1 0 347.484 3.164 20 30 EGEDRM C[C@@H]1C[C@H](C(=O)[O-])CCC1=NNC(=S)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000814758506 1318810232 /nfs/dbraw/zinc/81/02/32/1318810232.db2.gz BOMKMDYRVDFFHP-ZHZXCYKASA-N -1 0 339.505 3.152 20 30 EGEDRM C[C@@H]1C[C@@H](C(=O)[O-])CCC1N=Nc1cncc(Br)c1 ZINC000814886916 1318839250 /nfs/dbraw/zinc/83/92/50/1318839250.db2.gz KACCFJNYRJGTAG-BDAKNGLRSA-N -1 0 326.194 3.133 20 30 EGEDRM O=C([O-])C1(c2cccc(Cl)c2)CC(=NOCc2cccnc2)C1 ZINC000814884206 1318838491 /nfs/dbraw/zinc/83/84/91/1318838491.db2.gz RKBTXUOPIVABLU-UHFFFAOYSA-N -1 0 330.771 3.424 20 30 EGEDRM C[C@H](CCc1ccc2c(c1)OCO2)NN=C1CC[C@@H](C(=O)[O-])C[C@H]1C ZINC000814924275 1318850294 /nfs/dbraw/zinc/85/02/94/1318850294.db2.gz JBBBLSNAVMQMLE-UMVBOHGHSA-N -1 0 346.427 3.203 20 30 EGEDRM COc1cc(C(C)=NNCC2CCCC2)ccc1OCCCC(=O)[O-] ZINC000814933436 1318853117 /nfs/dbraw/zinc/85/31/17/1318853117.db2.gz OBZKEFUXWGLINC-UHFFFAOYSA-N -1 0 348.443 3.443 20 30 EGEDRM CC(N=Nc1cccc(Cl)n1)c1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000814939622 1318856156 /nfs/dbraw/zinc/85/61/56/1318856156.db2.gz XMRRKKGVZAPEMZ-LLVKDONJSA-N -1 0 333.775 3.423 20 30 EGEDRM CCOc1ccc(NN=Cc2cc(OC)c(O)cc2[N+](=O)[O-])cc1 ZINC000814983301 1318862968 /nfs/dbraw/zinc/86/29/68/1318862968.db2.gz HQIXWRDGLVLALF-UHFFFAOYSA-N -1 0 331.328 3.154 20 30 EGEDRM C[C@@H](Cc1cnc2ccccc2n1)C(=O)Nc1cc(C#N)ccc1[O-] ZINC000815877925 1319067082 /nfs/dbraw/zinc/06/70/82/1319067082.db2.gz LXZABJAJSSYCDF-LBPRGKRZSA-N -1 0 332.363 3.024 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(OC(C)(C)C)cn1 ZINC000815904657 1319069899 /nfs/dbraw/zinc/06/98/99/1319069899.db2.gz MJXJWGVBBAUJRL-OAHLLOKOSA-N -1 0 345.443 3.278 20 30 EGEDRM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1ncoc1C1CC1 ZINC000815906869 1319070923 /nfs/dbraw/zinc/07/09/23/1319070923.db2.gz LHTCHFCMSGSGOD-GFCCVEGCSA-N -1 0 329.743 3.167 20 30 EGEDRM C[C@H]1c2c(c(O)ccc2F)C(=O)/C1=C/c1cnc(N2CCCC2)nc1 ZINC000915987537 1319579595 /nfs/dbraw/zinc/57/95/95/1319579595.db2.gz GQWMKSRDKLOAQY-KAQJVSAMSA-N -1 0 339.370 3.305 20 30 EGEDRM COc1cc(C=NNc2ccc(Cl)cc2)ccc1OCC(=O)[O-] ZINC000916246463 1319624837 /nfs/dbraw/zinc/62/48/37/1319624837.db2.gz ACOHCDWNDFNUHP-UHFFFAOYSA-N -1 0 334.759 3.258 20 30 EGEDRM CCCOc1ccc(C=Nn2c(=S)[n-]nc2C(F)(F)F)cc1 ZINC000916303828 1319636781 /nfs/dbraw/zinc/63/67/81/1319636781.db2.gz PPKCMMKLYPVQPQ-UHFFFAOYSA-N -1 0 330.335 3.257 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])c(C=NNc2ncc(Cl)cc2Cl)c1 ZINC000916316759 1319639805 /nfs/dbraw/zinc/63/98/05/1319639805.db2.gz LKVJEDOPYILLRI-UHFFFAOYSA-N -1 0 327.127 3.448 20 30 EGEDRM Cc1nc(C2CC2)ccc1C([O-])=C(C#N)C(=O)NC1CCCCC1 ZINC000821620057 1320023348 /nfs/dbraw/zinc/02/33/48/1320023348.db2.gz WNIVIEZVKRQJTP-MRXNPFEDSA-N -1 0 325.412 3.039 20 30 EGEDRM C=CCC[C@H](NC(=O)/C=C/c1ccccc1OC(F)(F)F)C(=O)[O-] ZINC000823368937 1320172618 /nfs/dbraw/zinc/17/26/18/1320172618.db2.gz DZWVUHSVLWLGQP-VMPCVLLUSA-N -1 0 343.301 3.134 20 30 EGEDRM C=CCCO[N-]C(=O)[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 ZINC000825555648 1320346964 /nfs/dbraw/zinc/34/69/64/1320346964.db2.gz DZKBZSIHYXALIT-AWEZNQCLSA-N -1 0 332.400 3.149 20 30 EGEDRM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC[C@@H](C#N)CCC#N)c1 ZINC000842159048 1321355466 /nfs/dbraw/zinc/35/54/66/1321355466.db2.gz YJYCHRTUXZUJAF-GFCCVEGCSA-N -1 0 338.333 3.029 20 30 EGEDRM O=C([O-])c1ccc(C(=O)/C=C\c2ccc(-n3cncn3)c(F)c2)s1 ZINC000844253459 1321582751 /nfs/dbraw/zinc/58/27/51/1321582751.db2.gz QLWLJDMHYBSEKZ-RQOWECAXSA-N -1 0 343.339 3.062 20 30 EGEDRM CC(C)(C)OC(=O)[C@@]1(C(=O)Nc2cc(C#N)ccc2[O-])CC=CCC1 ZINC000845886615 1321750815 /nfs/dbraw/zinc/75/08/15/1321750815.db2.gz DYXYCKOBHXGICP-IBGZPJMESA-N -1 0 342.395 3.271 20 30 EGEDRM C=C(C)CO[N-]C(=O)C(=O)Nc1ccc(S[C@H](C)CC)cc1C ZINC000846149280 1321771841 /nfs/dbraw/zinc/77/18/41/1321771841.db2.gz JSYXTXIMMGHMQG-CYBMUJFWSA-N -1 0 336.457 3.448 20 30 EGEDRM C=C[C@H](C)O[N-]C(=O)[C@@H](CC(C)C)NC(=O)c1ccc(Cl)cc1 ZINC000846542245 1321791499 /nfs/dbraw/zinc/79/14/99/1321791499.db2.gz XPNTYMYBKBGLEQ-SWLSCSKDSA-N -1 0 338.835 3.107 20 30 EGEDRM C=C[C@H](C)O[N-]C(=O)[C@H](NC(=O)OC(C)(C)C)c1ccc(C)cc1 ZINC000846552405 1321793173 /nfs/dbraw/zinc/79/31/73/1321793173.db2.gz GYECSXVBBVSMON-DZGCQCFKSA-N -1 0 334.416 3.183 20 30 EGEDRM C=CCC(CC=C)C(=O)[N-]S(=O)(=O)c1ccc(Cl)c(C)c1 ZINC000847861861 1321907965 /nfs/dbraw/zinc/90/79/65/1321907965.db2.gz ZICNUDGYEIEFRC-UHFFFAOYSA-N -1 0 327.833 3.222 20 30 EGEDRM N#C[C@@H](C(=O)CCCF)c1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000850739445 1322280658 /nfs/dbraw/zinc/28/06/58/1322280658.db2.gz LIFSTLRIUQMNIA-JTQLQIEISA-N -1 0 333.388 3.202 20 30 EGEDRM CC[C@@](C)(C#N)C(=O)N1CCC([C@H](CC(=O)[O-])c2ccccc2)CC1 ZINC000923090839 1322689618 /nfs/dbraw/zinc/68/96/18/1322689618.db2.gz SKXLRKYOJCTWBV-XLIONFOSSA-N -1 0 342.439 3.423 20 30 EGEDRM Cc1nc(C#N)c(N=NC(C)c2cc(C(=O)[O-])ccc2OC(C)C)o1 ZINC000853293304 1325076495 /nfs/dbraw/zinc/07/64/95/1325076495.db2.gz VRRZRCGTSUXNMQ-UHFFFAOYSA-N -1 0 342.355 3.176 20 30 EGEDRM C=CCCO[N-]C(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000856031503 1325440687 /nfs/dbraw/zinc/44/06/87/1325440687.db2.gz RNOUHZDLZXBPPL-INIZCTEOSA-N -1 0 342.361 3.065 20 30 EGEDRM C=CCCO[N-]C(=O)CSc1nc(C)c(Cc2ccccc2)[nH]1 ZINC000856028930 1325440911 /nfs/dbraw/zinc/44/09/11/1325440911.db2.gz RUSMYPRUPJAVCZ-UHFFFAOYSA-N -1 0 331.441 3.025 20 30 EGEDRM C=C(Cl)COC(=O)c1cc2ccccc2cc1[N-]S(C)(=O)=O ZINC000927497620 1328044234 /nfs/dbraw/zinc/04/42/34/1328044234.db2.gz XWZKQDAYZGMCOV-UHFFFAOYSA-N -1 0 339.800 3.121 20 30 EGEDRM O=C(CCC(=O)C1=CC=C[CH]1)Nc1ccc(OCC2CCC2)nc1 ZINC001184241546 1387418449 /nfs/dbraw/zinc/41/84/49/1387418449.db2.gz VQDRKHSQKPTPIZ-UHFFFAOYSA-N -1 0 325.388 3.249 20 30 EGEDRM Cc1nc(Cl)c(NC(=O)CCC(=O)C2=CC=C[CH]2)c(Cl)n1 ZINC001184241721 1387418800 /nfs/dbraw/zinc/41/88/00/1387418800.db2.gz YLIIGHCILWKBKE-UHFFFAOYSA-N -1 0 325.175 3.080 20 30 EGEDRM C=CC[C@@H](NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1)c1ccccc1 ZINC001184734681 1387523036 /nfs/dbraw/zinc/52/30/36/1387523036.db2.gz QMIBPIAOZOLUKV-QGZVFWFLSA-N -1 0 345.420 3.289 20 30 EGEDRM Cc1cnc([N-]S(=O)(=O)c2cc3ccccc3s2)c(C#N)c1 ZINC001185429071 1387714229 /nfs/dbraw/zinc/71/42/29/1387714229.db2.gz IZCVZEKTXGQTCU-UHFFFAOYSA-N -1 0 329.406 3.277 20 30 EGEDRM N#Cc1cc(NC(=O)CC(=O)c2ccccc2Cl)c([O-])cc1F ZINC001185434915 1387716547 /nfs/dbraw/zinc/71/65/47/1387716547.db2.gz XUVQYDVPZBESGI-UHFFFAOYSA-N -1 0 332.718 3.268 20 30 EGEDRM Cc1ccnc(C#N)c1[N-]S(=O)(=O)c1ccc(F)c2ccccc21 ZINC001189364307 1367004344 /nfs/dbraw/zinc/00/43/44/1367004344.db2.gz QQOGNRCSZNIJIB-UHFFFAOYSA-N -1 0 341.367 3.355 20 30 EGEDRM Cc1coc([N-]S(=O)(=O)Cc2ccccc2C(F)(F)F)c1C#N ZINC001189503210 1367038320 /nfs/dbraw/zinc/03/83/20/1367038320.db2.gz SXLKENABKAQFMP-UHFFFAOYSA-N -1 0 344.314 3.420 20 30 EGEDRM N#Cc1cc(Cl)ccc1[N-]S(=O)(=O)Cc1ccc(F)cc1F ZINC001189823443 1367114600 /nfs/dbraw/zinc/11/46/00/1367114600.db2.gz HLYOWVUHKZHREM-UHFFFAOYSA-N -1 0 342.754 3.432 20 30 EGEDRM N#C[C@@H]1CCCN(C(=O)c2cc(Br)ccc2[S-])C1 ZINC001189949990 1367137418 /nfs/dbraw/zinc/13/74/18/1367137418.db2.gz DNIWKZDYCFNQGS-VIFPVBQESA-N -1 0 325.231 3.114 20 30 EGEDRM Cc1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2F)cc1C#N ZINC001190387840 1367248826 /nfs/dbraw/zinc/24/88/26/1367248826.db2.gz LUKBSGUNWODUGQ-UHFFFAOYSA-N -1 0 326.299 3.085 20 30 EGEDRM Cc1cc(C#N)c([N-]S(=O)(=O)c2cc(F)cc(F)c2F)cc1F ZINC001190395738 1367251694 /nfs/dbraw/zinc/25/16/94/1367251694.db2.gz SCAFNGIOIJGSPQ-UHFFFAOYSA-N -1 0 344.289 3.224 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2nccc3ccccc32)c1 ZINC001190607775 1367307009 /nfs/dbraw/zinc/30/70/09/1367307009.db2.gz AORRCOXPYFYPAI-UHFFFAOYSA-N -1 0 327.340 3.046 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)N[C@@H]2CCC[C@@H]3CCCC[C@H]23)c1 ZINC001190665504 1367322138 /nfs/dbraw/zinc/32/21/38/1367322138.db2.gz NPTBFBHPPIWHJH-OFQRWUPVSA-N -1 0 336.432 3.335 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)NCc2ccc(C(F)F)cc2)c1 ZINC001190662962 1367322444 /nfs/dbraw/zinc/32/24/44/1367322444.db2.gz QQVDXEBLRWNUGX-UHFFFAOYSA-N -1 0 340.326 3.113 20 30 EGEDRM Cc1ccccc1CC(C)(C)NS(=O)(=O)c1cc(C#N)ccc1F ZINC001190676982 1367326913 /nfs/dbraw/zinc/32/69/13/1367326913.db2.gz GNFLNIOGLQVGRT-UHFFFAOYSA-N -1 0 346.427 3.305 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]c2cc(OC(F)(F)F)ccc2O)CC1 ZINC001190815510 1367356809 /nfs/dbraw/zinc/35/68/09/1367356809.db2.gz OTLLKZHZRVZCED-UHFFFAOYSA-N -1 0 337.319 3.141 20 30 EGEDRM C[C@H](O)c1cccc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC001190932510 1367384031 /nfs/dbraw/zinc/38/40/31/1367384031.db2.gz XZMQTLBUHPTUNK-JTQLQIEISA-N -1 0 336.800 3.066 20 30 EGEDRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2c(F)cccc2C#N)c1 ZINC001191184712 1367440848 /nfs/dbraw/zinc/44/08/48/1367440848.db2.gz CHBAFRNAPMIBFL-UHFFFAOYSA-N -1 0 341.367 3.355 20 30 EGEDRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cc(F)cc(C#N)c2)c1 ZINC001191184938 1367441272 /nfs/dbraw/zinc/44/12/72/1367441272.db2.gz KBWCCDTYTJGNCB-UHFFFAOYSA-N -1 0 341.367 3.355 20 30 EGEDRM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1cc(C#N)ccc1O ZINC001191697269 1367564143 /nfs/dbraw/zinc/56/41/43/1367564143.db2.gz LQEFXELTJYEGIM-UHFFFAOYSA-N -1 0 346.408 3.197 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)Cc2ccc(Cl)cc2F)s1 ZINC001191872885 1367623324 /nfs/dbraw/zinc/62/33/24/1367623324.db2.gz KSVNNKUFQPYUFH-UHFFFAOYSA-N -1 0 330.793 3.354 20 30 EGEDRM N#Cc1cccc(NS(=O)(=O)Cc2ccc(Cl)cc2F)c1F ZINC001191898024 1367630057 /nfs/dbraw/zinc/63/00/57/1367630057.db2.gz LVMJALCDDRQJHL-UHFFFAOYSA-N -1 0 342.754 3.432 20 30 EGEDRM N#CCS(=O)(=O)Nc1c(Cl)ccc(Br)c1Cl ZINC001192980150 1367915948 /nfs/dbraw/zinc/91/59/48/1367915948.db2.gz DBDGEQSDBRSNLH-UHFFFAOYSA-N -1 0 344.017 3.021 20 30 EGEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)c1 ZINC001193636405 1368080574 /nfs/dbraw/zinc/08/05/74/1368080574.db2.gz RJUXXIYPVVJSKE-UHFFFAOYSA-N -1 0 330.409 3.491 20 30 EGEDRM CCOC(=O)c1c(C)csc1NC(=O)c1cccc(C#N)c1[O-] ZINC001193634936 1368080982 /nfs/dbraw/zinc/08/09/82/1368080982.db2.gz NIGXDCNOKSNUST-UHFFFAOYSA-N -1 0 330.365 3.063 20 30 EGEDRM N#Cc1cc(Cl)c(Cl)cc1[N-]S(=O)(=O)c1ccccc1N ZINC001193935333 1368150953 /nfs/dbraw/zinc/15/09/53/1368150953.db2.gz ZIQCDOPWLOWFIV-UHFFFAOYSA-N -1 0 342.207 3.248 20 30 EGEDRM C#Cc1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)ccc1F ZINC001194301914 1368226688 /nfs/dbraw/zinc/22/66/88/1368226688.db2.gz LZDYDJHKGBNUOM-UHFFFAOYSA-N -1 0 344.289 3.022 20 30 EGEDRM Cc1cccc([N-]S(=O)(=O)c2ncccc2C(F)(F)F)c1C#N ZINC001194561675 1368286903 /nfs/dbraw/zinc/28/69/03/1368286903.db2.gz GCWUXCJIDRBHTQ-UHFFFAOYSA-N -1 0 341.314 3.081 20 30 EGEDRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1c(C#N)cccc1C#N ZINC001195308190 1368418115 /nfs/dbraw/zinc/41/81/15/1368418115.db2.gz KSTURKOGGDHLQM-UHFFFAOYSA-N -1 0 331.784 3.193 20 30 EGEDRM N#Cc1cc(F)cc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)c1 ZINC001196680070 1368660812 /nfs/dbraw/zinc/66/08/12/1368660812.db2.gz WHVQHWDFYUQUJJ-UHFFFAOYSA-N -1 0 335.747 3.023 20 30 EGEDRM CN(C)c1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)c1 ZINC001196690826 1368664657 /nfs/dbraw/zinc/66/46/57/1368664657.db2.gz XJIJHBHQYHORAR-UHFFFAOYSA-N -1 0 335.816 3.078 20 30 EGEDRM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(F)c2C#N)c(C)c1 ZINC001196877563 1368704647 /nfs/dbraw/zinc/70/46/47/1368704647.db2.gz DNFDQFFXANQNIY-UHFFFAOYSA-N -1 0 334.372 3.124 20 30 EGEDRM N#CCCN(Cc1ccccc1)C(=S)Nc1ccc(C(=O)[O-])cc1 ZINC001197076086 1368741503 /nfs/dbraw/zinc/74/15/03/1368741503.db2.gz XKKORXRFXBKZII-UHFFFAOYSA-N -1 0 339.420 3.497 20 30 EGEDRM N#Cc1c(F)ccc(F)c1NC(=S)Nc1ccc(C(=O)[O-])cc1 ZINC001197119352 1368748397 /nfs/dbraw/zinc/74/83/97/1368748397.db2.gz IIUXPXGEOLQAHO-UHFFFAOYSA-N -1 0 333.319 3.344 20 30 EGEDRM COc1cccc(CS(=O)(=O)[N-]c2c(C#N)oc3ccccc32)c1 ZINC001197348846 1368793935 /nfs/dbraw/zinc/79/39/35/1368793935.db2.gz PWVWZVXHFMRFCG-UHFFFAOYSA-N -1 0 342.376 3.255 20 30 EGEDRM N#Cc1cncc(NS(=O)(=O)Cc2cc(Cl)ccc2Cl)c1 ZINC001197502389 1368828004 /nfs/dbraw/zinc/82/80/04/1368828004.db2.gz ILKUWMFCZXYVRO-UHFFFAOYSA-N -1 0 342.207 3.202 20 30 EGEDRM CCc1cc([N-]S(=O)(=O)c2cc(C)ccn2)cc(CC)c1C#N ZINC001198005450 1368940419 /nfs/dbraw/zinc/94/04/19/1368940419.db2.gz JCYSEOPXCIXWGA-UHFFFAOYSA-N -1 0 329.425 3.187 20 30 EGEDRM N#Cc1ncc(Nc2ccc3c(cccc3S(=O)(=O)[O-])c2)cc1F ZINC001203059576 1369969575 /nfs/dbraw/zinc/96/95/75/1369969575.db2.gz CHEVJRZYIBQHMR-UHFFFAOYSA-N -1 0 343.339 3.236 20 30 EGEDRM Cc1cnc([N-]S(=O)(=O)c2cc3c(s2)CCCC3)c(C#N)c1 ZINC001187185375 1388066525 /nfs/dbraw/zinc/06/65/25/1388066525.db2.gz UPWPWFCRKVBWIO-UHFFFAOYSA-N -1 0 333.438 3.003 20 30 EGEDRM N#Cc1ccc(Nc2ccc(Cl)cc2S(=O)(=O)[O-])cc1F ZINC001204061084 1370363895 /nfs/dbraw/zinc/36/38/95/1370363895.db2.gz OMICEUFZSAMECD-UHFFFAOYSA-N -1 0 326.736 3.341 20 30 EGEDRM N#Cc1cccc(O)c1[N-]S(=O)(=O)c1cc2c(s1)CCCC2 ZINC001187215481 1388074001 /nfs/dbraw/zinc/07/40/01/1388074001.db2.gz OQBDRIGFBSCYFC-UHFFFAOYSA-N -1 0 334.422 3.005 20 30 EGEDRM O=C(CCc1nc(-c2ncccc2C(F)(F)F)no1)C1=CC=C[CH]1 ZINC001204656278 1370537894 /nfs/dbraw/zinc/53/78/94/1370537894.db2.gz IHLAZUFTZHZBQT-UHFFFAOYSA-N -1 0 334.277 3.353 20 30 EGEDRM C=CC[C@H](NC(=O)c1occc1CSc1ccccc1)C(=O)[O-] ZINC001116922366 1371001292 /nfs/dbraw/zinc/00/12/92/1371001292.db2.gz QWGHHMUELNPWAW-AWEZNQCLSA-N -1 0 331.393 3.331 20 30 EGEDRM C=CCCO[N-]C(=O)[C@H](NC(=O)OC(C)(C)C)C1CCCCC1 ZINC001118732376 1371217968 /nfs/dbraw/zinc/21/79/68/1371217968.db2.gz BRKYQAVAECPKTL-CQSZACIVSA-N -1 0 326.437 3.084 20 30 EGEDRM C=CC[C@@H](NC(=O)N[C@@H](CC)c1ccccc1OC(F)F)C(=O)[O-] ZINC001119714739 1371393097 /nfs/dbraw/zinc/39/30/97/1371393097.db2.gz GXGDGTYIENRJNV-NWDGAFQWSA-N -1 0 342.342 3.068 20 30 EGEDRM CC[C@H](C)n1nc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)cc1C ZINC001122498933 1372260679 /nfs/dbraw/zinc/26/06/79/1372260679.db2.gz CJTOWMLMWPERCO-SMDDNHRTSA-N -1 0 348.410 3.178 20 30 EGEDRM CCc1nc(C)c(C([O-])=C(C#N)c2nccn2Cc2ccccc2)o1 ZINC001122607234 1372283204 /nfs/dbraw/zinc/28/32/04/1372283204.db2.gz XGNAKISFBBXGCH-HNNXBMFYSA-N -1 0 334.379 3.280 20 30 EGEDRM N#Cc1c(F)cc(Br)cc1Nc1ccc(C(=O)[O-])nc1 ZINC001210177791 1372289303 /nfs/dbraw/zinc/28/93/03/1372289303.db2.gz ZBBNREVKKODWQS-UHFFFAOYSA-N -1 0 336.120 3.297 20 30 EGEDRM N#Cc1cc(F)ccc1Nc1ccc(Cl)cc1S(=O)(=O)[O-] ZINC001210554270 1372377878 /nfs/dbraw/zinc/37/78/78/1372377878.db2.gz CLZYAFJDLKAZSR-UHFFFAOYSA-N -1 0 326.736 3.341 20 30 EGEDRM C#Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)cc1 ZINC001187968992 1388200596 /nfs/dbraw/zinc/20/05/96/1388200596.db2.gz IYVVPYDOWYCVTM-UHFFFAOYSA-N -1 0 327.192 3.171 20 30 EGEDRM Cc1cc(C(=O)[O-])ccc1Nc1ccc(C#N)nc1Br ZINC001211616476 1372590827 /nfs/dbraw/zinc/59/08/27/1372590827.db2.gz KNGJJNFFGCHNIK-UHFFFAOYSA-N -1 0 332.157 3.466 20 30 EGEDRM CCCCCCCCS(=O)(=O)[N-]c1cc(C)ccc1C(N)=O ZINC001188013359 1388213888 /nfs/dbraw/zinc/21/38/88/1388213888.db2.gz UUAICQSJNPKJBS-UHFFFAOYSA-N -1 0 326.462 3.196 20 30 EGEDRM N#CCOc1ccc(Nc2ccc(Cl)cc2S(=O)(=O)[O-])cc1 ZINC001212609558 1372736970 /nfs/dbraw/zinc/73/69/70/1372736970.db2.gz SSPCFCMCDFODEQ-UHFFFAOYSA-N -1 0 338.772 3.233 20 30 EGEDRM N#C[C@@H]1CC=C(Nc2c(O)cc(S(=O)(=O)[O-])c3ccccc32)CC1 ZINC001212862899 1372787329 /nfs/dbraw/zinc/78/73/29/1372787329.db2.gz VTPKVJQJRJJYTI-LLVKDONJSA-N -1 0 344.392 3.412 20 30 EGEDRM COc1cc(Nc2ccc(NC(=O)CCC(=O)[O-])cc2)ccc1C#N ZINC001213192000 1372857038 /nfs/dbraw/zinc/85/70/38/1372857038.db2.gz LSWSSMBVFOVSAA-UHFFFAOYSA-N -1 0 339.351 3.114 20 30 EGEDRM N#Cc1cc(F)cc([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)c1 ZINC001188067177 1388233955 /nfs/dbraw/zinc/23/39/55/1388233955.db2.gz KLLBKQUOIXEDHQ-UHFFFAOYSA-N -1 0 346.170 3.200 20 30 EGEDRM N#Cc1ccc(-c2noc(-c3cc(=O)c4ccc(Cl)cc4[n-]3)n2)nc1 ZINC001217454653 1373447277 /nfs/dbraw/zinc/44/72/77/1373447277.db2.gz QYPBVGKHNGPCKV-UHFFFAOYSA-N -1 0 349.737 3.165 20 30 EGEDRM C=CC[C@H](NC(=O)c1cc2c(ccc(Cl)c2Cl)[nH]1)C(=O)[O-] ZINC001327014461 1388365552 /nfs/dbraw/zinc/36/55/52/1388365552.db2.gz VXKFTFHPXIJKIH-JTQLQIEISA-N -1 0 327.167 3.234 20 30 EGEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ccccc1-c1ccccc1 ZINC001227471673 1375434018 /nfs/dbraw/zinc/43/40/18/1375434018.db2.gz DFIRWCQLERUOPA-INIZCTEOSA-N -1 0 348.420 3.191 20 30 EGEDRM CSc1ncc(C#N)c(OC(=C([O-])c2ccco2)c2ccco2)n1 ZINC001228682867 1375639590 /nfs/dbraw/zinc/63/95/90/1375639590.db2.gz HPTOQLIKOGNGFP-AWEZNQCLSA-N -1 0 341.348 3.259 20 30 EGEDRM CCCCCCCCOc1ccc(OC(=O)[C@H](O)CC(=O)[O-])cc1 ZINC001229377861 1375823790 /nfs/dbraw/zinc/82/37/90/1375823790.db2.gz FYRSLFGQPRQDEI-MRXNPFEDSA-N -1 0 338.400 3.167 20 30 EGEDRM COc1ccc(C(=O)CCC(=O)Nc2cc(C#N)c(F)cc2[O-])cc1 ZINC001142742012 1378483033 /nfs/dbraw/zinc/48/30/33/1378483033.db2.gz WJTFNHYXKXVMMC-UHFFFAOYSA-N -1 0 342.326 3.013 20 30 EGEDRM O=C(C#Cc1ccccc1)Nc1ccc(F)c(Br)c1[O-] ZINC001142861463 1378497649 /nfs/dbraw/zinc/49/76/49/1378497649.db2.gz SIGLZBVVTCHGKQ-UHFFFAOYSA-N -1 0 334.144 3.284 20 30 EGEDRM N#CCCCCNc1ncccc1S(=O)(=O)[N-]c1cccc(F)c1 ZINC001157641615 1380988606 /nfs/dbraw/zinc/98/86/06/1380988606.db2.gz ACPYTSFIBCRSOL-UHFFFAOYSA-N -1 0 348.403 3.127 20 30 EGEDRM C=CCCCNc1ncccc1S(=O)(=O)[N-]c1cccc(F)c1 ZINC001159263840 1381747033 /nfs/dbraw/zinc/74/70/33/1381747033.db2.gz GHWJWISAYXVBLP-UHFFFAOYSA-N -1 0 335.404 3.400 20 30 EGEDRM C#CCCCNc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)nc1 ZINC001162445252 1382759908 /nfs/dbraw/zinc/75/99/08/1382759908.db2.gz CENPSYCIASTSOG-UHFFFAOYSA-N -1 0 329.425 3.016 20 30 EGEDRM N#Cc1ccc2[nH]c(NC(=O)c3ccc(C(F)(F)F)cc3[O-])nc2c1 ZINC001169189595 1384121053 /nfs/dbraw/zinc/12/10/53/1384121053.db2.gz IPVIEBWQWUEHJL-UHFFFAOYSA-N -1 0 346.268 3.411 20 30 EGEDRM CC(=N[S@](=O)C(C)(C)C)c1ccc(NCc2cc(=O)[n-]o2)cc1 ZINC001169490897 1384154303 /nfs/dbraw/zinc/15/43/03/1384154303.db2.gz MYSLPMGNLZVVBA-QNJILJPISA-N -1 0 335.429 3.264 20 30 EGEDRM N#Cc1ncc(Br)cc1Nc1ccc(C(=O)[O-])c(F)c1 ZINC001175154076 1385206032 /nfs/dbraw/zinc/20/60/32/1385206032.db2.gz BHYYBCAUFXKXKX-UHFFFAOYSA-N -1 0 336.120 3.297 20 30 EGEDRM N#Cc1c2ccc(Cl)cc2sc1Nc1cnn(CC(=O)[O-])c1 ZINC001176264463 1385531891 /nfs/dbraw/zinc/53/18/91/1385531891.db2.gz DSPCFXMKNBLZAX-UHFFFAOYSA-N -1 0 332.772 3.451 20 30 EGEDRM CCOc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(CC#N)cc1 ZINC001318965798 1385901035 /nfs/dbraw/zinc/90/10/35/1385901035.db2.gz LBJCNMQKGPBFGD-UHFFFAOYSA-N -1 0 330.409 3.261 20 30 EGEDRM N#CCc1ccc(S(=O)(=O)[N-]c2cc(-c3cccs3)[nH]n2)cc1 ZINC001319102723 1385961242 /nfs/dbraw/zinc/96/12/42/1385961242.db2.gz BWNIZGYIRJHMCO-UHFFFAOYSA-N -1 0 344.421 3.005 20 30 EGEDRM C[C@@H](C#N)CNN=Cc1cccc(OCc2cccc(C(=O)[O-])c2)c1 ZINC001319289865 1386046248 /nfs/dbraw/zinc/04/62/48/1386046248.db2.gz HIGFLNCBMTVGKX-AWEZNQCLSA-N -1 0 337.379 3.047 20 30 EGEDRM C=CC[C@H](NC(=O)NCC1(c2ccc(Cl)cc2)CCC1)C(=O)[O-] ZINC001321581759 1386934730 /nfs/dbraw/zinc/93/47/30/1386934730.db2.gz AXYCPFBMTVZYQH-AWEZNQCLSA-N -1 0 336.819 3.090 20 30 EGEDRM C=CC[C@H](NC(=O)c1c(C)onc1-c1ccccc1Cl)C(=O)[O-] ZINC001321658157 1386950862 /nfs/dbraw/zinc/95/08/62/1386950862.db2.gz PLBVNVLAPLGVSX-LBPRGKRZSA-N -1 0 334.759 3.063 20 30 EGEDRM COc1cccc2[nH]cc(CC(=O)Nc3cc(C#N)c(F)cc3[O-])c21 ZINC001181988989 1387088503 /nfs/dbraw/zinc/08/85/03/1387088503.db2.gz INFABKGYESIZPO-UHFFFAOYSA-N -1 0 339.326 3.074 20 30 EGEDRM C=CC[C@@H](NC(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3)C(=O)[O-] ZINC001322600765 1387211797 /nfs/dbraw/zinc/21/17/97/1387211797.db2.gz IEBJFYAMGXWGPM-APPDUMDISA-N -1 0 326.396 3.052 20 30 EGEDRM C=CCC[C@H]1CCCN1C(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC001336239232 1389044370 /nfs/dbraw/zinc/04/43/70/1389044370.db2.gz VNJIBHKVGLULHT-ZDUSSCGKSA-N -1 0 329.375 3.288 20 30 EGEDRM COc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(CC#N)cc1 ZINC001338302579 1389624688 /nfs/dbraw/zinc/62/46/88/1389624688.db2.gz QGGOHVYKYRXPSC-UHFFFAOYSA-N -1 0 336.800 3.215 20 30 EGEDRM C=CC[C@H](NC(=O)C(C)(C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001332613010 1390140822 /nfs/dbraw/zinc/14/08/22/1390140822.db2.gz ARFTXKAXKPKPKN-LBPRGKRZSA-N -1 0 329.318 3.129 20 30 EGEDRM N#CC(=C([O-])c1nsc2ccccc21)c1nnc2n1CCCCC2 ZINC001342918879 1390672445 /nfs/dbraw/zinc/67/24/45/1390672445.db2.gz QBGQKVZZYJYZCQ-LBPRGKRZSA-N -1 0 337.408 3.104 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(OC(F)F)cc1F ZINC001343474836 1390716290 /nfs/dbraw/zinc/71/62/90/1390716290.db2.gz UYKFNXHRBUKLLN-LBPRGKRZSA-N -1 0 342.317 3.056 20 30 EGEDRM N#CC(=C([O-])c1cnc(OCc2ccccc2)cn1)c1cccc(F)n1 ZINC001344038112 1390751697 /nfs/dbraw/zinc/75/16/97/1390751697.db2.gz YZNAKTVSROKRAC-AWEZNQCLSA-N -1 0 348.337 3.080 20 30 EGEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc(-c2cccs2)s1 ZINC001344616415 1390803429 /nfs/dbraw/zinc/80/34/29/1390803429.db2.gz HYBTXRZEAOXTHE-SNVBAGLBSA-N -1 0 341.417 3.415 20 30 EGEDRM C=C(C)Cn1c(-c2c[n-]n(CC)c2=O)nnc1N1C[C@H](C)C[C@H]1CC ZINC001346670734 1390968504 /nfs/dbraw/zinc/96/85/04/1390968504.db2.gz NXXFZUJEPIZGSK-ZIAGYGMSSA-N -1 0 344.463 3.068 20 30 EGEDRM C=CC[C@H](NC(=O)C1(c2cc(F)cc(C(F)(F)F)c2)CC1)C(=O)[O-] ZINC001350322531 1391447186 /nfs/dbraw/zinc/44/71/86/1391447186.db2.gz LGTZSIJFWKGLLB-LBPRGKRZSA-N -1 0 345.292 3.022 20 30 EGEDRM Clc1ccc(Cl)c(C=NNCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826352400 1423975132 /nfs/dbraw/zinc/97/51/32/1423975132.db2.gz ZEBPJOMITARRPF-UHFFFAOYSA-N -1 0 347.209 3.297 20 30 EGEDRM C=CCCCCCN(C)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000819740134 1429688412 /nfs/dbraw/zinc/68/84/12/1429688412.db2.gz QNMYIWPKSZRSCV-UHFFFAOYSA-N -1 0 332.383 3.216 20 30 EGEDRM C(=NNCc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCCc2ccccc21 ZINC000819718699 1424108700 /nfs/dbraw/zinc/10/87/00/1424108700.db2.gz NTIKBIHTEYPKSS-QGZVFWFLSA-N -1 0 332.411 3.062 20 30 EGEDRM CC(CCc1ccccc1)N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000824406588 1425036982 /nfs/dbraw/zinc/03/69/82/1425036982.db2.gz NIZSBSBNTQNRLM-UHFFFAOYSA-N -1 0 341.806 3.336 20 30 EGEDRM C=C[C@H](CC(=O)N(C)c1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000823882609 1425265681 /nfs/dbraw/zinc/26/56/81/1425265681.db2.gz AJXJVLUAJZVANX-CQSZACIVSA-N -1 0 333.395 3.189 20 30 EGEDRM N#Cc1cc(NC(=O)c2ccc3ccccc3c2)ccc1-c1nn[n-]n1 ZINC000737709806 1425272313 /nfs/dbraw/zinc/27/23/13/1425272313.db2.gz QPQWRUMZFCBNPO-UHFFFAOYSA-N -1 0 340.346 3.144 20 30 EGEDRM C=CCN(CC1CCCCC1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735418897 1425798793 /nfs/dbraw/zinc/79/87/93/1425798793.db2.gz LGPYASCPSWPMRU-UHFFFAOYSA-N -1 0 325.416 3.075 20 30 EGEDRM C=CCOc1ccc(Oc2snc(Cl)c2-c2nn[n-]n2)cc1 ZINC000823931977 1426054923 /nfs/dbraw/zinc/05/49/23/1426054923.db2.gz JPTMROGPADHQCS-UHFFFAOYSA-N -1 0 335.776 3.334 20 30 EGEDRM CC(=NNc1cc(F)c(F)c(F)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823958756 1427944197 /nfs/dbraw/zinc/94/41/97/1427944197.db2.gz VBZHKRSDKFVOEV-UHFFFAOYSA-N -1 0 338.318 3.182 20 30 EGEDRM C[C@H](C#N)Oc1ccc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735502307 1429792916 /nfs/dbraw/zinc/79/29/16/1429792916.db2.gz DPLLVQFXDGWNRI-UTSBKAFOSA-N -1 0 345.362 3.054 20 30 EGEDRM O=C1c2cccc(Cl)c2OC1=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000823505178 1429900464 /nfs/dbraw/zinc/90/04/64/1429900464.db2.gz YODWZSRBVWHKGN-QPEQYQDCSA-N -1 0 342.717 3.275 20 30 EGEDRM CCC(N=Nc1oc(C)nc1-c1nn[n-]n1)c1c(F)cccc1Cl ZINC000820832297 1429940856 /nfs/dbraw/zinc/94/08/56/1429940856.db2.gz JGABWAJSLSMNBV-UHFFFAOYSA-N -1 0 349.757 3.182 20 30 EGEDRM C(=NNc1cccc(-c2nn[n-]n2)c1)c1cccc(-c2ccccn2)c1 ZINC000823867801 1441512008 /nfs/dbraw/zinc/51/20/08/1441512008.db2.gz ISWIHYODKBTOPD-UHFFFAOYSA-N -1 0 341.378 3.375 20 30 EGEDRM N#CCCCOc1cccc(C=Cc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000737688690 1441536286 /nfs/dbraw/zinc/53/62/86/1441536286.db2.gz WZZRDIITAHZGPT-SOFGYWHQSA-N -1 0 332.367 3.115 20 30 EGEDRM N#Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1-c1nn[n-]n1 ZINC000737719396 1441877854 /nfs/dbraw/zinc/87/78/54/1441877854.db2.gz PUVMXKIJOCSAAF-UHFFFAOYSA-N -1 0 340.346 3.144 20 30 EGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC(CC)CC ZINC000735418148 1442238002 /nfs/dbraw/zinc/23/80/02/1442238002.db2.gz CKHRYDVIHAQRQF-UHFFFAOYSA-N -1 0 342.447 3.001 20 30 EGEDRM O=C(C=Cc1nccc2ccccc21)c1ccc(-c2nn[n-]n2)cc1F ZINC000826403328 1443113367 /nfs/dbraw/zinc/11/33/67/1443113367.db2.gz PANVYGYILZYKCE-BQYQJAHWSA-N -1 0 345.337 3.450 20 30 EGEDRM CCc1ccc(CN=Nc2oc(C(C)C)nc2-c2nn[n-]n2)s1 ZINC000736683251 1443686944 /nfs/dbraw/zinc/68/69/44/1443686944.db2.gz OSCZGWHYQMZBIO-UHFFFAOYSA-N -1 0 331.405 3.048 20 30 EGEDRM CCOc1ccc(O)c(C=N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000821422033 1443976335 /nfs/dbraw/zinc/97/63/35/1443976335.db2.gz KHKKAZSBAABCDF-ZGXHQARYSA-N -1 0 337.383 3.151 20 30 EGEDRM N#CCC[C@@H](Nc1snc(Cl)c1-c1nn[n-]n1)c1ccccc1 ZINC000826381319 1446129661 /nfs/dbraw/zinc/12/96/61/1446129661.db2.gz HBBCQRLKSLGHFT-SNVBAGLBSA-N -1 0 345.819 3.434 20 30 EGEDRM COc1cccc(CC(N=Nc2cccc(-c3nn[n-]n3)c2)C2CC2)c1 ZINC000826215522 1446230755 /nfs/dbraw/zinc/23/07/55/1446230755.db2.gz RKVPCFLINAQDSB-UHFFFAOYSA-N -1 0 348.410 3.296 20 30 EGEDRM N#CC1(CSCc2ccc(-c3nn[n-]n3)cc2OC(F)F)CC1 ZINC000826380039 1446441587 /nfs/dbraw/zinc/44/15/87/1446441587.db2.gz KZUWVIHPXHGDSU-UHFFFAOYSA-N -1 0 337.355 3.005 20 30 EGEDRM C=C[C@H](CC)CC(=O)N[C@@H](C(=O)[O-])c1ccc(OC)c(Cl)c1 ZINC000907673700 939300778 /nfs/dbraw/zinc/30/07/78/939300778.db2.gz QYGBHDGJCSVGPN-MEBBXXQBSA-N -1 0 325.792 3.193 20 30 EGEDRM C=CC[C@H](NC(=O)N[C@@]1(C(=O)[O-])CC[C@H](C)CC1)c1ccncc1 ZINC000929033817 939795743 /nfs/dbraw/zinc/79/57/43/939795743.db2.gz NMVKYJDSJHLJMQ-YEWWUXTCSA-N -1 0 331.416 3.032 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NCC1(c2cccc(Cl)c2)CCCC1 ZINC001602781313 971522578 /nfs/dbraw/zinc/52/25/78/971522578.db2.gz VTNSCAYGWYETHJ-KRWDZBQOSA-N -1 0 348.830 3.273 20 30 EGEDRM C=C(C)COc1cccc(NC(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)c1 ZINC000263151127 950295448 /nfs/dbraw/zinc/29/54/48/950295448.db2.gz PLQNDRDNLRKLOC-KBPBESRZSA-N -1 0 332.400 3.216 20 30 EGEDRM CCN(C(=O)c1cccc(Oc2ccc(C#N)cc2)c1)[C@@H](C)C(=O)[O-] ZINC001589711441 950333854 /nfs/dbraw/zinc/33/38/54/950333854.db2.gz VLDSBQQHCYJGMA-ZDUSSCGKSA-N -1 0 338.363 3.286 20 30 EGEDRM CC(C)(C)CC[C@H](NC(=O)c1[nH]c2ccccc2c1C#N)C(=O)[O-] ZINC001602861121 971717530 /nfs/dbraw/zinc/71/75/30/971717530.db2.gz JMNYNGABONKZGE-AWEZNQCLSA-N -1 0 327.384 3.049 20 30 EGEDRM C=CCCN(C)C(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000381777780 971777409 /nfs/dbraw/zinc/77/74/09/971777409.db2.gz CRMRAROZETWEMD-UHFFFAOYSA-N -1 0 327.178 3.187 20 30 EGEDRM CC(C)C[C@@H](CNC(=O)c1c(Cl)cc(C#N)cc1Cl)C(=O)[O-] ZINC001603010313 972061877 /nfs/dbraw/zinc/06/18/77/972061877.db2.gz FIUPADHCBCUMAX-JTQLQIEISA-N -1 0 343.210 3.342 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1cccc(Oc2ccccc2)c1 ZINC000819843101 955452836 /nfs/dbraw/zinc/45/28/36/955452836.db2.gz YFKAAKSKTJPHFQ-IBGZPJMESA-N -1 0 338.363 3.100 20 30 EGEDRM N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H](C(=O)[O-])C2CC2)cc1 ZINC001594600947 956127420 /nfs/dbraw/zinc/12/74/20/956127420.db2.gz DPMLEIVEGCYENN-QZTJIDSGSA-N -1 0 334.375 3.391 20 30 EGEDRM CC1(C(=O)[O-])CCN(C(=O)Nc2ccc(C3CC3)c(C#N)c2)CC1 ZINC000887393111 956257916 /nfs/dbraw/zinc/25/79/16/956257916.db2.gz PPGYIISPEGTNQW-UHFFFAOYSA-N -1 0 327.384 3.154 20 30 EGEDRM Cc1cc(C(=O)[O-])cc(C(=O)[C@H](C#N)c2nc3ccccc3n2C)c1 ZINC001594281369 957748198 /nfs/dbraw/zinc/74/81/98/957748198.db2.gz KOLNBBTXRQXHSB-AWEZNQCLSA-N -1 0 333.347 3.070 20 30 EGEDRM C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@@H](CC)C(=O)[O-] ZINC001339940490 957908518 /nfs/dbraw/zinc/90/85/18/957908518.db2.gz SZTCFGZMSOSNDT-SNVBAGLBSA-N -1 0 330.837 3.210 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)Nc1ccc(SC2CCCC2)cc1 ZINC001588413151 958156235 /nfs/dbraw/zinc/15/62/35/958156235.db2.gz SMPRFRMAYMUCAF-UHFFFAOYSA-N -1 0 332.425 3.273 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)Nc1cccc(CSC(C)C)c1C ZINC001588413183 958158420 /nfs/dbraw/zinc/15/84/20/958158420.db2.gz UYUFFORQTGVWJQ-UHFFFAOYSA-N -1 0 334.441 3.188 20 30 EGEDRM C=CC(C)(C)NC(=O)Nc1cc(C(=O)[O-])ccc1Br ZINC001588450829 958400391 /nfs/dbraw/zinc/40/03/91/958400391.db2.gz DHJJWFFUPSDRPE-UHFFFAOYSA-N -1 0 327.178 3.233 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)c1cccc(Oc2ccc(Cl)cc2)c1 ZINC001573319855 958475091 /nfs/dbraw/zinc/47/50/91/958475091.db2.gz GCPNBLTVVORFGO-UHFFFAOYSA-N -1 0 343.766 3.292 20 30 EGEDRM O=C([O-])COc1ccc(/C=C2/Cc3c(cc(F)cc3F)C2=O)cc1 ZINC000131183475 958745940 /nfs/dbraw/zinc/74/59/40/958745940.db2.gz RECFPDRMEUTATP-WZUFQYTHSA-N -1 0 330.286 3.251 20 30 EGEDRM Cc1cccc([C@H](NC(=O)Nc2ccc(C#N)cc2Cl)C(=O)[O-])c1 ZINC001594397396 958781130 /nfs/dbraw/zinc/78/11/30/958781130.db2.gz KIUUNVQNIDTHLW-HNNXBMFYSA-N -1 0 343.770 3.468 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc2[nH]c(-c3ccccc3)nc2c1 ZINC001588541760 958966197 /nfs/dbraw/zinc/96/61/97/958966197.db2.gz LOTPTDDZKIKJNW-LJQANCHMSA-N -1 0 348.362 3.173 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1ccc(C2CCCCC2)cc1 ZINC001588558390 959086011 /nfs/dbraw/zinc/08/60/11/959086011.db2.gz RVZWSQAKVUEKBJ-IBGZPJMESA-N -1 0 328.412 3.355 20 30 EGEDRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC001594217983 959345951 /nfs/dbraw/zinc/34/59/51/959345951.db2.gz DJESYHBABZLIOT-DNVCBOLYSA-N -1 0 333.387 3.164 20 30 EGEDRM CC(C)(C)Oc1ccc(NC(=O)c2ccc(C(=O)[O-])nc2)cc1C#N ZINC001588734215 961114058 /nfs/dbraw/zinc/11/40/58/961114058.db2.gz BHNQYAHPYGFOHH-UHFFFAOYSA-N -1 0 339.351 3.081 20 30 EGEDRM CC(C)(C)Oc1ccc(NC(=O)[C@]2(C(=O)[O-])CC=CCC2)cc1C#N ZINC001588734755 961127847 /nfs/dbraw/zinc/12/78/47/961127847.db2.gz YBLJMYUJGROAQX-IBGZPJMESA-N -1 0 342.395 3.485 20 30 EGEDRM CC(C)(NC(=O)Nc1ccc(C(=O)[O-])cc1F)c1cccc(C#N)c1 ZINC001588789392 961356066 /nfs/dbraw/zinc/35/60/66/961356066.db2.gz QLIWLIZOCJIPBF-UHFFFAOYSA-N -1 0 341.342 3.452 20 30 EGEDRM CC(C)[C@H](CNC(=O)Nc1scc(C(C)(C)C)c1C#N)C(=O)[O-] ZINC001588826982 961675417 /nfs/dbraw/zinc/67/54/17/961675417.db2.gz GCSBQCAHVIOOAT-NSHDSACASA-N -1 0 337.445 3.396 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1ccc(Cn2cccc2)cc1)C(=O)[O-] ZINC001333358569 961696311 /nfs/dbraw/zinc/69/63/11/961696311.db2.gz KNFSKGPEVJZQAK-QGZVFWFLSA-N -1 0 326.396 3.076 20 30 EGEDRM N#Cc1cccc2[nH]cc(C(=O)N[C@H]3C[C@H](C(=O)[O-])c4ccccc43)c21 ZINC001574489673 961706566 /nfs/dbraw/zinc/70/65/66/961706566.db2.gz MARSGZGIGZPIFL-YOEHRIQHSA-N -1 0 345.358 3.083 20 30 EGEDRM C=CCO[C@H]1CCN(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)C1 ZINC001346231409 962327819 /nfs/dbraw/zinc/32/78/19/962327819.db2.gz AZNJISKIRHTSMO-INIZCTEOSA-N -1 0 344.436 3.285 20 30 EGEDRM C#CC[C@H](NC(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2)C(=O)[O-] ZINC001573302752 962661081 /nfs/dbraw/zinc/66/10/81/962661081.db2.gz FASCSPVIDQSMNX-STQMWFEESA-N -1 0 333.453 3.105 20 30 EGEDRM C#Cc1ccc(NC(=O)N[C@H](C)[C@@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC001573313145 962728739 /nfs/dbraw/zinc/72/87/39/962728739.db2.gz CDDZGKOJXQSZRV-RDTXWAMCSA-N -1 0 336.391 3.121 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)c1c(Cl)cccc1OCC1CC1)C(=O)[O-] ZINC001573321433 962758285 /nfs/dbraw/zinc/75/82/85/962758285.db2.gz MXXGUGXYDXQIAI-CYBMUJFWSA-N -1 0 337.803 3.278 20 30 EGEDRM C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])cn1 ZINC001573323557 962772796 /nfs/dbraw/zinc/77/27/96/962772796.db2.gz CPDVSFVGXZGGLU-UHFFFAOYSA-N -1 0 325.368 3.390 20 30 EGEDRM C=C(CC)CN(C)[C@H](C(=O)[O-])c1cc(OC)ccc1Br ZINC001573325470 962795820 /nfs/dbraw/zinc/79/58/20/962795820.db2.gz JXNMUZXEHOGVCE-AWEZNQCLSA-N -1 0 342.233 3.481 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1cccc(NC(=O)c2cccs2)c1 ZINC001573337279 962864317 /nfs/dbraw/zinc/86/43/17/962864317.db2.gz MEAMIBWFVIFIRI-UHFFFAOYSA-N -1 0 344.392 3.360 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1cnc(-c2ccc(Cl)s2)nc1 ZINC001573338002 962871482 /nfs/dbraw/zinc/87/14/82/962871482.db2.gz VRHNJAJFIIIJSF-UHFFFAOYSA-N -1 0 337.788 3.218 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1nc(-c2ccc(OC)cc2)c(C)s1 ZINC001573338693 962879022 /nfs/dbraw/zinc/87/90/22/962879022.db2.gz GHKQCPAMRBKKME-UHFFFAOYSA-N -1 0 346.408 3.487 20 30 EGEDRM C=CC[C@@H](C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)[O-])c1ccccc1 ZINC001573350091 962964418 /nfs/dbraw/zinc/96/44/18/962964418.db2.gz BBYFLVMDRLQEDQ-MSOLQXFVSA-N -1 0 341.382 3.298 20 30 EGEDRM C=CC[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001573353377 963000295 /nfs/dbraw/zinc/00/02/95/963000295.db2.gz UDNYBBJXBAVZMD-XJKSGUPXSA-N -1 0 337.441 3.106 20 30 EGEDRM C=CCC[C@@H]1CCCN1S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001573357011 963012261 /nfs/dbraw/zinc/01/22/61/963012261.db2.gz IRRVOOODSOWDTI-GFCCVEGCSA-N -1 0 343.832 3.158 20 30 EGEDRM CC(C)C[C@H](Nc1cc(Br)c(C#N)cc1F)C(=O)[O-] ZINC000311340998 963475297 /nfs/dbraw/zinc/47/52/97/963475297.db2.gz KRFPDGKFZHZYPY-LBPRGKRZSA-N -1 0 329.169 3.371 20 30 EGEDRM N#Cc1cc(Br)ccc1CN1CCCC[C@@H]1CC(=O)[O-] ZINC000312281905 963550325 /nfs/dbraw/zinc/55/03/25/963550325.db2.gz KCDUNLOGIJABIU-CQSZACIVSA-N -1 0 337.217 3.150 20 30 EGEDRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)Nc2cccc(CC#N)c2)C1 ZINC000313425221 963641525 /nfs/dbraw/zinc/64/15/25/963641525.db2.gz KAEBPRCPQYDBNR-CQSZACIVSA-N -1 0 329.400 3.107 20 30 EGEDRM C#CCCCC(=O)Nc1ncc(Cc2cccc(C(=O)[O-])c2)s1 ZINC001588440498 964039660 /nfs/dbraw/zinc/03/96/60/964039660.db2.gz XKVZTKACGVWVTH-UHFFFAOYSA-N -1 0 328.393 3.174 20 30 EGEDRM C#CCCN(CC(F)(F)F)C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001588447679 964089945 /nfs/dbraw/zinc/08/99/45/964089945.db2.gz NWMBKQVQQYYYRK-UHFFFAOYSA-N -1 0 333.693 3.066 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CC[C@H](C(F)(F)F)c2ccccc21 ZINC001609691640 970450277 /nfs/dbraw/zinc/45/02/77/970450277.db2.gz ZFZWAGAUSKUSDU-NHYWBVRUSA-N -1 0 340.301 3.074 20 30 EGEDRM CC(C)(C#N)c1ccc(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)cc1 ZINC001609744310 970513110 /nfs/dbraw/zinc/51/31/10/970513110.db2.gz VTEKWLXSIMVTQR-PVAVHDDUSA-N -1 0 340.423 3.346 20 30 EGEDRM Cc1cc(C(=O)[O-])cc(C(=O)N[C@H](C#N)c2ccc(Cl)cc2)c1 ZINC001600108017 970759439 /nfs/dbraw/zinc/75/94/39/970759439.db2.gz CSJRGPBNCONYPH-OAHLLOKOSA-N -1 0 328.755 3.341 20 30 EGEDRM N#CCCCn1cc(C(=O)Nc2ccnc(C(=O)[O-])c2)c2ccccc21 ZINC001605582278 973865480 /nfs/dbraw/zinc/86/54/80/973865480.db2.gz YRNWMBORQWRDOI-UHFFFAOYSA-N -1 0 348.362 3.291 20 30 EGEDRM N#Cc1ccc(C[S@](=O)Cc2ccc(C(=O)[O-])cc2)c(Cl)c1 ZINC001605611284 973917848 /nfs/dbraw/zinc/91/78/48/973917848.db2.gz PNSHHHYHKYRRLC-JOCHJYFZSA-N -1 0 333.796 3.359 20 30 EGEDRM C#CCN(C(=O)Nc1ccc(Br)c(C(=O)[O-])c1)C(C)C ZINC000688806413 976193170 /nfs/dbraw/zinc/19/31/70/976193170.db2.gz UUKKNEWDSSKIJW-UHFFFAOYSA-N -1 0 339.189 3.023 20 30 EGEDRM CC(C)c1ccc(NC(=O)COc2ccccc2C#N)c(C(=O)[O-])c1 ZINC001591965554 976558910 /nfs/dbraw/zinc/55/89/10/976558910.db2.gz NRYXUPMGAGVBFY-UHFFFAOYSA-N -1 0 338.363 3.397 20 30 EGEDRM COc1ccc(C[C@H](C)CN=Nc2ccc(C(=O)[O-])cn2)cc1F ZINC000758129268 978704045 /nfs/dbraw/zinc/70/40/45/978704045.db2.gz ORSLKMYYHGHLLU-NSHDSACASA-N -1 0 331.347 3.204 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1N=NCC[C@@H]1CCCCC12OCCO2 ZINC000788722317 978797660 /nfs/dbraw/zinc/79/76/60/978797660.db2.gz OSCSUKHKQHBDQT-AWEZNQCLSA-N -1 0 348.399 3.115 20 30 EGEDRM CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(CN=Nc2ccccc2C(=O)[O-])C1 ZINC000792941737 978800951 /nfs/dbraw/zinc/80/09/51/978800951.db2.gz REFPHTKFHGUJKY-SGTLLEGYSA-N -1 0 345.399 3.040 20 30 EGEDRM C[C@H](Oc1ccc(/C=C2\CCc3cc(C#N)cnc3C2=O)cc1)C(=O)[O-] ZINC000794711214 978817479 /nfs/dbraw/zinc/81/74/79/978817479.db2.gz BAZBNRCQCZXBBK-WIJRQFRKSA-N -1 0 348.358 3.018 20 30 EGEDRM O=C([O-])Cn1cc(C=NNc2cc(F)cc(F)c2)c2ccccc21 ZINC000799876178 978843335 /nfs/dbraw/zinc/84/33/35/978843335.db2.gz LNPCHENLDWYPJW-UHFFFAOYSA-N -1 0 329.306 3.450 20 30 EGEDRM C[C@H](Oc1ccc(/C=C2/Cc3ccc(C#N)cc3C2=O)cc1)C(=O)[O-] ZINC000811696607 978854820 /nfs/dbraw/zinc/85/48/20/978854820.db2.gz UQYRDDYJBMEPRI-LUMBYOQCSA-N -1 0 333.343 3.233 20 30 EGEDRM CC(=NNC(=S)Nc1ccc(F)cc1)c1cc(C(=O)[O-])cs1 ZINC000814714917 978876176 /nfs/dbraw/zinc/87/61/76/978876176.db2.gz VIZGEAOUPZKIAA-UHFFFAOYSA-N -1 0 337.401 3.296 20 30 EGEDRM CC(C)COc1ccc(N[C@@H](C(=O)[O-])c2cccc(C#N)c2)cn1 ZINC000826905452 978950926 /nfs/dbraw/zinc/95/09/26/978950926.db2.gz LHYXWTCWDGWOKQ-QGZVFWFLSA-N -1 0 325.368 3.226 20 30 EGEDRM O=C([O-])c1ccc(NN=Cc2cnc([C@@H]3CCCO3)s2)c(F)c1 ZINC000835011573 979245306 /nfs/dbraw/zinc/24/53/06/979245306.db2.gz HIBSYWZXXAHOMY-ZDUSSCGKSA-N -1 0 335.360 3.278 20 30 EGEDRM C[C@@H](COc1ccccc1)NN=Cc1c[nH]c2ccc(C(=O)[O-])cc12 ZINC001592783137 979421849 /nfs/dbraw/zinc/42/18/49/979421849.db2.gz PZZNDLDSXQKHAO-ZDUSSCGKSA-N -1 0 337.379 3.257 20 30 EGEDRM C=CC1(CC(=O)N2CC[C@H](C(=O)[O-])C[C@H]2[C@@H]2CCCO2)CCCCC1 ZINC000899545538 980230016 /nfs/dbraw/zinc/23/00/16/980230016.db2.gz AHZIZZJQQVYWGL-ULQDDVLXSA-N -1 0 349.471 3.384 20 30 EGEDRM CCC[C@@H](C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccccn1 ZINC001595539202 981397728 /nfs/dbraw/zinc/39/77/28/981397728.db2.gz ZZBMFNUXLCYFMH-NVXWUHKLSA-N -1 0 338.363 3.206 20 30 EGEDRM CCCC[C@H](ON=C(C)C)C(=O)Nc1ccc(OC)cc1C(=O)[O-] ZINC001595651798 982026568 /nfs/dbraw/zinc/02/65/68/982026568.db2.gz KPKYXZOVLCGONL-HNNXBMFYSA-N -1 0 336.388 3.303 20 30 EGEDRM CCCC[C@@H](S[C@@H]1CCN(c2sccc2C#N)C1=O)C(=O)[O-] ZINC001595655875 982048780 /nfs/dbraw/zinc/04/87/80/982048780.db2.gz QCNJMWTUXLQDDM-VXGBXAGGSA-N -1 0 338.454 3.102 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1c(C)oc2ccc(OC)cc21)C(=O)[O-] ZINC000910919239 982164360 /nfs/dbraw/zinc/16/43/60/982164360.db2.gz VGUUQSUCGRYJCK-AWEZNQCLSA-N -1 0 331.368 3.289 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1cccc([C@H]2CCCOC2)c1)C(=O)[O-] ZINC000910921793 982165360 /nfs/dbraw/zinc/16/53/60/982165360.db2.gz GCVXLLUNOWOPHH-DLBZAZTESA-N -1 0 331.412 3.120 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1cc(C)n(C2CCCCC2)n1)C(=O)[O-] ZINC000910925708 982167021 /nfs/dbraw/zinc/16/70/21/982167021.db2.gz NTQZNTVUQYWWIP-HNNXBMFYSA-N -1 0 333.432 3.236 20 30 EGEDRM CCCCCCCCOCC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC001595704467 982275015 /nfs/dbraw/zinc/27/50/15/982275015.db2.gz PCUFWWKORCFCGS-OAHLLOKOSA-N -1 0 325.449 3.077 20 30 EGEDRM CCCCCCCCNS(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC001595704458 982275179 /nfs/dbraw/zinc/27/51/79/982275179.db2.gz OKFQWAKYKGBAIH-UHFFFAOYSA-N -1 0 331.409 3.163 20 30 EGEDRM CCCCOc1ccc(N[C@H](C(=O)[O-])c2ccc(C#N)cc2)cn1 ZINC001595780535 982549565 /nfs/dbraw/zinc/54/95/65/982549565.db2.gz FGRHAUYEMFFSKP-KRWDZBQOSA-N -1 0 325.368 3.370 20 30 EGEDRM N#C[C@@]1(C(=O)Nc2cccc(CSCC(=O)[O-])c2)CC12CCCC2 ZINC000923056178 982699570 /nfs/dbraw/zinc/69/95/70/982699570.db2.gz ITIJWLZSDGWIEL-GOSISDBHSA-N -1 0 344.436 3.417 20 30 EGEDRM CC1CC(C#N)(C(=O)Nc2ccc(N3CCCCC3)c(C(=O)[O-])c2)C1 ZINC000923080082 982710878 /nfs/dbraw/zinc/71/08/78/982710878.db2.gz JPGMHDXMAHGANP-UHFFFAOYSA-N -1 0 341.411 3.253 20 30 EGEDRM CC[C@@](CNC(=O)[C@]1(C#N)CC12CCCC2)(C(=O)[O-])c1ccccc1 ZINC000923080571 982711504 /nfs/dbraw/zinc/71/15/04/982711504.db2.gz NARWMZVPKJUMKW-VQTJNVASSA-N -1 0 340.423 3.009 20 30 EGEDRM CC[C@@H](C)Oc1ccc(NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)cc1 ZINC001595008231 982927964 /nfs/dbraw/zinc/92/79/64/982927964.db2.gz LPHZYLICOQJGKI-CYBMUJFWSA-N -1 0 345.399 3.086 20 30 EGEDRM C=CCO[C@@H]1CCN([C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)C1 ZINC001118320171 982953121 /nfs/dbraw/zinc/95/31/21/982953121.db2.gz UFKKWSOWLRVNIW-BXUZGUMPSA-N -1 0 330.211 3.396 20 30 EGEDRM C#C[C@@H](NC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-])C(C)(C)C ZINC001588372306 983330048 /nfs/dbraw/zinc/33/00/48/983330048.db2.gz HUAQRXFBIGUUGZ-HUUCEWRRSA-N -1 0 330.428 3.186 20 30 EGEDRM C#C[C@H](NC(=O)CC(C)(C)CC(=O)[O-])c1ccc(Cl)cc1F ZINC001588372517 983331771 /nfs/dbraw/zinc/33/17/71/983331771.db2.gz MFQAPIZHDONKPO-ZDUSSCGKSA-N -1 0 325.767 3.161 20 30 EGEDRM C#C[C@H](NC(=O)Nc1cc(C)cc(C(=O)[O-])c1)c1ccc(F)cc1 ZINC001588373398 983338061 /nfs/dbraw/zinc/33/80/61/983338061.db2.gz FVTRXJMKHDDRCA-INIZCTEOSA-N -1 0 326.327 3.328 20 30 EGEDRM C#C[C@@H](NC(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1)C(C)(C)C ZINC001588374163 983341746 /nfs/dbraw/zinc/34/17/46/983341746.db2.gz PSHLWQJAZROMDK-UONOGXRCSA-N -1 0 336.819 3.203 20 30 EGEDRM C#C[C@@H](NC(=O)Nc1ccc(CC(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC001588374573 983345378 /nfs/dbraw/zinc/34/53/78/983345378.db2.gz ZUYPYZSJKAITQF-MRXNPFEDSA-N -1 0 342.782 3.463 20 30 EGEDRM C#CC[C@H](NC(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1)C(=O)[O-] ZINC001588404850 983418888 /nfs/dbraw/zinc/41/88/88/983418888.db2.gz AWEVWYOCJSPPTJ-GDXASINISA-N -1 0 343.379 3.160 20 30 EGEDRM C#CC[C@@H](NC(=O)NCC1(CC(=O)[O-])CCCC1)c1ccccc1 ZINC001588407773 983429452 /nfs/dbraw/zinc/42/94/52/983429452.db2.gz OUEROGVOWQIQOJ-MRXNPFEDSA-N -1 0 328.412 3.085 20 30 EGEDRM C#CC[C@H](NC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)c1ccccc1 ZINC001588407890 983429462 /nfs/dbraw/zinc/42/94/62/983429462.db2.gz QOWSEISIFXPFPH-FUHIMQAGSA-N -1 0 340.423 3.037 20 30 EGEDRM C#CC[C@@H]1CCCN(C(=O)Nc2ccc(SC)c(C(=O)[O-])c2)C1 ZINC001588434117 983469121 /nfs/dbraw/zinc/46/91/21/983469121.db2.gz GPIJCLLFWJYBCN-GFCCVEGCSA-N -1 0 332.425 3.374 20 30 EGEDRM C#CCCOc1ccc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC001588455087 983478831 /nfs/dbraw/zinc/47/88/31/983478831.db2.gz CJPUHWUSAFEUHN-UHFFFAOYSA-N -1 0 327.311 3.178 20 30 EGEDRM C#CCN(C)C(=O)Nc1cc(C(=O)[O-])ccc1OCc1ccccc1 ZINC001588461343 983489366 /nfs/dbraw/zinc/48/93/66/983489366.db2.gz MFKUODBXSJVQBJ-UHFFFAOYSA-N -1 0 338.363 3.061 20 30 EGEDRM C#CCOc1ccc(C(=O)Nc2ncc(C(=O)[O-])c3ccccc23)cc1 ZINC001588497455 983538936 /nfs/dbraw/zinc/53/89/36/983538936.db2.gz HSKCZUWWTZLYSK-UHFFFAOYSA-N -1 0 346.342 3.197 20 30 EGEDRM C#Cc1ccc([C@@H](OC(=O)c2cc(C(=O)[O-])ccn2)C(F)(F)F)cc1 ZINC001588516160 983560210 /nfs/dbraw/zinc/56/02/10/983560210.db2.gz BEQRLIUZZYWOKF-CQSZACIVSA-N -1 0 349.264 3.222 20 30 EGEDRM C#Cc1cccc(N(Cc2ccccc2)C(=O)[C@H]2C[C@@H](C(=O)[O-])C2)c1 ZINC001588523328 983571884 /nfs/dbraw/zinc/57/18/84/983571884.db2.gz GUXNESIMQOUINM-HDICACEKSA-N -1 0 333.387 3.312 20 30 EGEDRM C#Cc1ccccc1CC(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)c2ccccc21 ZINC001588528961 983579247 /nfs/dbraw/zinc/57/92/47/983579247.db2.gz NEWHLCXKCYIGPY-IVZQSRNASA-N -1 0 347.414 3.204 20 30 EGEDRM C=C(C)[C@H](CC(=O)Nc1cc(F)cc(Cl)c1C(=O)[O-])OCC ZINC001588534779 983586651 /nfs/dbraw/zinc/58/66/51/983586651.db2.gz IXAOGNJCOYYNNV-LBPRGKRZSA-N -1 0 329.755 3.487 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)[C@@H](C)CC(=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC001588537148 983597902 /nfs/dbraw/zinc/59/79/02/983597902.db2.gz JFBBYIRMENIXGD-SMDDNHRTSA-N -1 0 337.803 3.085 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)[C@H](C)Oc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC001588537492 983600172 /nfs/dbraw/zinc/60/01/72/983600172.db2.gz QLNYZFVXZNMUJC-TVQRCGJNSA-N -1 0 346.210 3.296 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)c1cc(Br)c(C)cc1C)C(=O)[O-] ZINC001588543332 983611239 /nfs/dbraw/zinc/61/12/39/983611239.db2.gz GIHYRQMLQSVLSG-CYBMUJFWSA-N -1 0 340.217 3.215 20 30 EGEDRM C=C(C)C[C@H](NC(=O)Cc1nc(-c2ccc(F)cc2)cs1)C(=O)[O-] ZINC001588543398 983611639 /nfs/dbraw/zinc/61/16/39/983611639.db2.gz IMGVXUVZMAZXCF-ZDUSSCGKSA-N -1 0 348.399 3.027 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)c1csc(Cc2cccc(F)c2)n1)C(=O)[O-] ZINC001588548962 983625965 /nfs/dbraw/zinc/62/59/65/983625965.db2.gz VAOGNOWUSZBGOO-CYBMUJFWSA-N -1 0 348.399 3.022 20 30 EGEDRM C=C(C)C[C@@H](Nc1ccc(C#N)c(Br)c1F)C(=O)[O-] ZINC001588554885 983632341 /nfs/dbraw/zinc/63/23/41/983632341.db2.gz SKCQJNOOTGBKRD-SNVBAGLBSA-N -1 0 327.153 3.291 20 30 EGEDRM C=C(C)C[C@H](Nc1nn2cc(-c3ccccc3)nc2s1)C(=O)[O-] ZINC001588555039 983633084 /nfs/dbraw/zinc/63/30/84/983633084.db2.gz XPKFUYFGUSNWDN-LBPRGKRZSA-N -1 0 328.397 3.289 20 30 EGEDRM C=C(C)COc1cccc(NC(=O)NCc2cc(C(=O)[O-])co2)c1 ZINC001588573831 983653980 /nfs/dbraw/zinc/65/39/80/983653980.db2.gz YNCFRLMTZVAZNN-UHFFFAOYSA-N -1 0 330.340 3.254 20 30 EGEDRM C=C(C)[C@@H]1OCC[C@@H]1C(=O)Oc1ccc2c(c1)c(C(=O)[O-])c(C)n2C ZINC001588599175 983688621 /nfs/dbraw/zinc/68/86/21/983688621.db2.gz HVYRHMOAPYVBGU-GUYCJALGSA-N -1 0 343.379 3.072 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N1CC[C@H](c2cc(C)c(Cl)cc2O)C1 ZINC001588613880 983705417 /nfs/dbraw/zinc/70/54/17/983705417.db2.gz GKWXOSTWTPNSAI-LBPRGKRZSA-N -1 0 337.803 3.091 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC001588630533 983744420 /nfs/dbraw/zinc/74/44/20/983744420.db2.gz PUDKZKHPLJYOHO-MQMHXKEQSA-N -1 0 341.329 3.489 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(Oc2ccccc2F)nc1 ZINC001588633176 983748169 /nfs/dbraw/zinc/74/81/69/983748169.db2.gz CZITZRDLGDMDIZ-UHFFFAOYSA-N -1 0 330.315 3.373 20 30 EGEDRM C=C(CNC(=O)Nc1ccc(C(=O)[O-])c(OC)c1)c1ccccc1 ZINC001588637923 983761582 /nfs/dbraw/zinc/76/15/82/983761582.db2.gz YVSADSZRPIFYAQ-UHFFFAOYSA-N -1 0 326.352 3.228 20 30 EGEDRM C=C[C@H](C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21)c1ccccc1 ZINC001588661092 983785810 /nfs/dbraw/zinc/78/58/10/983785810.db2.gz DQDDKNAENTZSRF-XSLAGTTESA-N -1 0 327.424 3.448 20 30 EGEDRM C=C[C@@H](C(=O)Nc1cc(C(=O)[O-])cc(OC)c1O)c1ccccc1 ZINC001588664822 983804846 /nfs/dbraw/zinc/80/48/46/983804846.db2.gz WRBNHYJKZMXEJF-CYBMUJFWSA-N -1 0 327.336 3.007 20 30 EGEDRM C=C[C@H](OC(=O)c1cc(-c2cccnc2)nc2ccccc21)C(=O)[O-] ZINC001588713234 983948319 /nfs/dbraw/zinc/94/83/19/983948319.db2.gz SSDFBDXALNQPKV-KRWDZBQOSA-N -1 0 334.331 3.093 20 30 EGEDRM C=CC[C@@H](C)NC(=O)Nc1cc(C(=O)[O-])c(NC(C)=O)cc1Cl ZINC001588735938 984021463 /nfs/dbraw/zinc/02/14/63/984021463.db2.gz POLQWEZJPHBGEF-MRVPVSSYSA-N -1 0 339.779 3.083 20 30 EGEDRM C=CC[C@@H](Sc1nnc(-c2ccc(OC)cc2)n1CC=C)C(=O)[O-] ZINC001588759570 984112768 /nfs/dbraw/zinc/11/27/68/984112768.db2.gz XAURXSYPUNJASA-CQSZACIVSA-N -1 0 345.424 3.261 20 30 EGEDRM C=CC[C@@H](Sc1nnc(-c2ccncc2)n1CC(=C)C)C(=O)[O-] ZINC001588762212 984115493 /nfs/dbraw/zinc/11/54/93/984115493.db2.gz GUPTYWIQDRICBG-CYBMUJFWSA-N -1 0 330.413 3.038 20 30 EGEDRM C=CCC1(NC(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)CCOCC1 ZINC001588767104 984128292 /nfs/dbraw/zinc/12/82/92/984128292.db2.gz JMUQNQAKENGOIL-AWEZNQCLSA-N -1 0 346.427 3.197 20 30 EGEDRM C=CCC1(NC(=O)Nc2ccc(C(=O)OC)c(C(=O)[O-])c2)CCCC1 ZINC001588767325 984130091 /nfs/dbraw/zinc/13/00/91/984130091.db2.gz VJUKTRXRKLGIOU-UHFFFAOYSA-N -1 0 346.383 3.182 20 30 EGEDRM C=CCC[C@H](C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21)c1ccccc1 ZINC001588776748 984153004 /nfs/dbraw/zinc/15/30/04/984153004.db2.gz DQUDBJZLJVSSFK-ICUGJSFKSA-N -1 0 327.424 3.352 20 30 EGEDRM C=CCCC[C@H](NC(=O)C(C)(C)Cc1ccccc1OC)C(=O)[O-] ZINC001588787788 984188728 /nfs/dbraw/zinc/18/87/28/984188728.db2.gz YDUKBJJRYGMLKD-HNNXBMFYSA-N -1 0 333.428 3.190 20 30 EGEDRM C=CCCC[C@@H](NC(=O)C[C@@H](c1cccs1)n1cccc1)C(=O)[O-] ZINC001588789281 984197775 /nfs/dbraw/zinc/19/77/75/984197775.db2.gz ALJORAJLAHGQPZ-CABCVRRESA-N -1 0 346.452 3.455 20 30 EGEDRM C=CCCC[C@H](NC(=O)C1(c2ccc(C)c(OC)c2)CCC1)C(=O)[O-] ZINC001588789908 984202169 /nfs/dbraw/zinc/20/21/69/984202169.db2.gz MTHPGSFCLQEXKM-INIZCTEOSA-N -1 0 345.439 3.351 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1ccc(Br)c(F)c1)C(=O)[O-] ZINC001588792516 984209647 /nfs/dbraw/zinc/20/96/47/984209647.db2.gz JGACYFKWDVCWSB-LBPRGKRZSA-N -1 0 344.180 3.128 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1cc2c(nc(C)cc2C)s1)C(=O)[O-] ZINC001588793090 984216049 /nfs/dbraw/zinc/21/60/49/984216049.db2.gz SDQQEQXLGYCULA-ZDUSSCGKSA-N -1 0 332.425 3.452 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1cccc(F)c1Br)C(=O)[O-] ZINC001588793141 984216519 /nfs/dbraw/zinc/21/65/19/984216519.db2.gz LIZDISKKZDTAJF-LLVKDONJSA-N -1 0 344.180 3.128 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1ccc(N2CCC(C)CC2)cc1)C(=O)[O-] ZINC001588793634 984220489 /nfs/dbraw/zinc/22/04/89/984220489.db2.gz VKWZBRPSCKAIKB-SFHVURJKSA-N -1 0 344.455 3.462 20 30 EGEDRM C=CCCOCC(=O)N(C)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001588809049 984264481 /nfs/dbraw/zinc/26/44/81/984264481.db2.gz WZAOBNJSUQCJGX-CQSZACIVSA-N -1 0 346.210 3.170 20 30 EGEDRM C=CCCOCCCCC(=O)N1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001588810237 984265922 /nfs/dbraw/zinc/26/59/22/984265922.db2.gz FUOGPOGEEGQQJR-HXUWFJFHSA-N -1 0 345.439 3.004 20 30 EGEDRM C=CCCSCCNC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001588814916 984273909 /nfs/dbraw/zinc/27/39/09/984273909.db2.gz YLJOXPKDLODSLA-UHFFFAOYSA-N -1 0 330.356 3.094 20 30 EGEDRM C=CCN(C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)F)C(C)C ZINC001588820731 984286349 /nfs/dbraw/zinc/28/63/49/984286349.db2.gz PNQGZOPQFJHCPI-UHFFFAOYSA-N -1 0 342.342 3.457 20 30 EGEDRM C=CCN(CC=C)C(=O)N[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001588825557 984301719 /nfs/dbraw/zinc/30/17/19/984301719.db2.gz UGOCDMIDAKGXDP-ZDUSSCGKSA-N -1 0 342.317 3.372 20 30 EGEDRM C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccoc1CC(=O)[O-] ZINC001588829226 984312520 /nfs/dbraw/zinc/31/25/20/984312520.db2.gz KMWGMZAGRPAUIO-UHFFFAOYSA-N -1 0 339.800 3.450 20 30 EGEDRM C=CCOc1ccc(CNC(=O)c2ccc(C(=O)[O-])c(F)c2)cc1 ZINC001588874058 984447523 /nfs/dbraw/zinc/44/75/23/984447523.db2.gz UJOCSODEZMZUQN-UHFFFAOYSA-N -1 0 329.327 3.019 20 30 EGEDRM C=CCOc1ccc(CC(=O)NC2(CCC(=O)[O-])CCCCC2)cc1 ZINC001588874178 984448075 /nfs/dbraw/zinc/44/80/75/984448075.db2.gz ZHPRBWZHFTVNNX-UHFFFAOYSA-N -1 0 345.439 3.478 20 30 EGEDRM C=CCOc1ccc(C(=O)O[C@@H](C)c2cc(C(=O)[O-])co2)cc1OC ZINC001588875128 984451301 /nfs/dbraw/zinc/45/13/01/984451301.db2.gz XFONTVMCZIQNCQ-NSHDSACASA-N -1 0 346.335 3.469 20 30 EGEDRM C=CCn1c(SCc2ccc(C(=O)[O-])o2)nnc1-c1cccnc1 ZINC001588907339 984539015 /nfs/dbraw/zinc/53/90/15/984539015.db2.gz JQONOBDXFGOTFW-UHFFFAOYSA-N -1 0 342.380 3.110 20 30 EGEDRM C=CCn1cc2ccc(NCc3ccccc3OCC(=O)[O-])cc2n1 ZINC001588909011 984541547 /nfs/dbraw/zinc/54/15/47/984541547.db2.gz FCAXDDXAZVQONA-UHFFFAOYSA-N -1 0 337.379 3.298 20 30 EGEDRM C=CCn1ncc2ccc(NCc3ccc(OCC(=O)[O-])cc3)cc21 ZINC001588912066 984550323 /nfs/dbraw/zinc/55/03/23/984550323.db2.gz BZBJRLBUJGAMGO-UHFFFAOYSA-N -1 0 337.379 3.298 20 30 EGEDRM C=C[C@@H]1OCC[C@H]1C(=O)Nc1nc(C2CCCC2)c(C(=O)[O-])s1 ZINC001588916686 984562875 /nfs/dbraw/zinc/56/28/75/984562875.db2.gz ZHZKPJAAEGRRCQ-MNOVXSKESA-N -1 0 336.413 3.029 20 30 EGEDRM CCOCCCN(C[C@H](C)C(=O)[O-])c1nc(C(C)(C)C)ccc1C#N ZINC001596914720 985930667 /nfs/dbraw/zinc/93/06/67/985930667.db2.gz GZDBDLVQROANBQ-AWEZNQCLSA-N -1 0 347.459 3.204 20 30 EGEDRM C[C@@](C#N)(CCc1ccccc1)NC(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC001589323570 986146871 /nfs/dbraw/zinc/14/68/71/986146871.db2.gz FUJZAONEWMISBR-RQMBKDMJSA-N -1 0 338.363 3.022 20 30 EGEDRM C[C@H]1Cc2c(C#N)c(NC(=O)[C@H]3CC[C@H]3C(=O)[O-])sc2[C@@H](C)C1 ZINC001594612743 986612565 /nfs/dbraw/zinc/61/25/65/986612565.db2.gz WABCMOSHDXOAPC-VPOLOUISSA-N -1 0 332.425 3.355 20 30 EGEDRM CCSCc1cccc(NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)c1 ZINC001597265259 987294667 /nfs/dbraw/zinc/29/46/67/987294667.db2.gz KZWBOBAYBCYXMI-UHFFFAOYSA-N -1 0 347.440 3.162 20 30 EGEDRM CC(C)(C#N)CC(=O)O[C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001589553987 987295868 /nfs/dbraw/zinc/29/58/68/987295868.db2.gz RFQHJEDJYGAASZ-GFCCVEGCSA-N -1 0 329.274 3.314 20 30 EGEDRM CC(C)(C(=O)[O-])[C@H](NC(=O)N[C@H]1CC[C@@H](CC#N)C1)c1ccccc1 ZINC001589598212 987418656 /nfs/dbraw/zinc/41/86/56/987418656.db2.gz HVOYFYFSVORDIZ-CWRNSKLLSA-N -1 0 343.427 3.220 20 30 EGEDRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)[C@@H](CC#N)c2ccccc2)C1 ZINC001589603701 987443401 /nfs/dbraw/zinc/44/34/01/987443401.db2.gz UGPVALVKNHVXHD-HOTGVXAUSA-N -1 0 328.412 3.033 20 30 EGEDRM CC(C)(C)C1CCC(C#N)(NC(=O)c2cncc(C(=O)[O-])c2)CC1 ZINC001589725973 987903459 /nfs/dbraw/zinc/90/34/59/987903459.db2.gz CWWDMBAFUSPILZ-UHFFFAOYSA-N -1 0 329.400 3.008 20 30 EGEDRM CC(C)(C)OC1CC(CC(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC001590374754 989872915 /nfs/dbraw/zinc/87/29/15/989872915.db2.gz UMJRWRRAQABUFS-PGEKIEPBSA-N -1 0 345.395 3.211 20 30 EGEDRM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(C#N)o2)cc1 ZINC001590480776 990070377 /nfs/dbraw/zinc/07/03/77/990070377.db2.gz VAOKEAVNULUQBM-HNNXBMFYSA-N -1 0 340.379 3.395 20 30 EGEDRM CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC001590481574 990074505 /nfs/dbraw/zinc/07/45/05/990074505.db2.gz IKKQGCKZUUZOON-CYBMUJFWSA-N -1 0 326.352 3.270 20 30 EGEDRM CN(C(=O)c1ccc(C#N)c(Cl)c1)[C@H](C(=O)[O-])c1ccccc1 ZINC001598083322 990409528 /nfs/dbraw/zinc/40/95/28/990409528.db2.gz RPEKXGQRDQXYDG-HNNXBMFYSA-N -1 0 328.755 3.110 20 30 EGEDRM CC(C)CN(CC(=O)[O-])C(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC001591297971 992246538 /nfs/dbraw/zinc/24/65/38/992246538.db2.gz FYKOWRCYGNNCQT-UHFFFAOYSA-N -1 0 335.403 3.269 20 30 EGEDRM CN(Cc1ccc(OCC(=O)[O-])cc1)c1c(C#N)cnc2ccccc21 ZINC001598524327 992699797 /nfs/dbraw/zinc/69/97/97/992699797.db2.gz XZZISVWZNBWVMH-UHFFFAOYSA-N -1 0 347.374 3.206 20 30 EGEDRM C[C@@H](Nc1cc(C#N)sc1[N+](=O)[O-])c1ccc(OCC(=O)[O-])cc1 ZINC001593360606 995025466 /nfs/dbraw/zinc/02/54/66/995025466.db2.gz VSRSWFJMEVWFAM-SECBINFHSA-N -1 0 347.352 3.164 20 30 EGEDRM C[C@H](Nc1cc(C#N)sc1[N+](=O)[O-])c1ccc(OCC(=O)[O-])cc1 ZINC001593360607 995025534 /nfs/dbraw/zinc/02/55/34/995025534.db2.gz VSRSWFJMEVWFAM-VIFPVBQESA-N -1 0 347.352 3.164 20 30 EGEDRM C[C@]1(C#N)CCN(C(=O)Nc2cccc(SCCC(=O)[O-])c2)C1 ZINC001593743415 996367706 /nfs/dbraw/zinc/36/77/06/996367706.db2.gz XUNOYRXKKHFIQH-MRXNPFEDSA-N -1 0 333.413 3.021 20 30 EGEDRM CC1(C)CCC[C@@](NC(=O)c2ccc(C3(C#N)CC3)cc2)(C(=O)[O-])C1 ZINC001593891727 996737798 /nfs/dbraw/zinc/73/77/98/996737798.db2.gz FQIQBDUIFRWMCJ-FQEVSTJZSA-N -1 0 340.423 3.395 20 30 EGEDRM COc1cc(C(C)N=Nc2cccc(F)c2C(=O)[O-])c(OC)cc1O ZINC001599388029 996979712 /nfs/dbraw/zinc/97/97/12/996979712.db2.gz XCNKQYWUEPXPAT-UHFFFAOYSA-N -1 0 348.330 3.083 20 30 EGEDRM COc1cc(C)cc(C=NNc2ccc(CC(=O)[O-])cc2)c1OC ZINC001599391525 997045382 /nfs/dbraw/zinc/04/53/82/997045382.db2.gz BMWIHIPAPMCCAF-UHFFFAOYSA-N -1 0 328.368 3.085 20 30 EGEDRM COc1ccc(/C=C\C(=O)[O-])cc1OCCOc1ccc(C#N)cc1 ZINC001599547567 997950176 /nfs/dbraw/zinc/95/01/76/997950176.db2.gz VNAJISJOQVGGLO-UITAMQMPSA-N -1 0 339.347 3.122 20 30 EGEDRM COc1cc(C#N)cc(Cl)c1OC(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001599348851 998058972 /nfs/dbraw/zinc/05/89/72/998058972.db2.gz CIASRHPSMLNTCQ-UHFFFAOYSA-N -1 0 345.738 3.067 20 30 EGEDRM C[C@H]1CCN(CC#Cc2ccc(C(F)(F)F)cc2)[C@@H](C(=O)[O-])C1 ZINC001594423605 999581805 /nfs/dbraw/zinc/58/18/05/999581805.db2.gz USSHDFSDUURENG-SWLSCSKDSA-N -1 0 325.330 3.242 20 30 EGEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000263004759 245294896 /nfs/dbraw/zinc/29/48/96/245294896.db2.gz XRQRMSASMQEIGN-WKILWMFISA-N -1 0 331.412 3.101 20 30 EGEDRM C[C@@H](CC(=O)Nc1nc(C#N)c(C#N)[n-]1)Cc1ccc(Cl)cc1 ZINC000089435912 217797802 /nfs/dbraw/zinc/79/78/02/217797802.db2.gz YLWIGEIWXHRRON-SNVBAGLBSA-N -1 0 327.775 3.014 20 30 EGEDRM N#Cc1cc([N-]S(=O)(=O)c2cc(F)ccc2F)ccc1Cl ZINC000010515006 211178379 /nfs/dbraw/zinc/17/83/79/211178379.db2.gz PWEKOGQGJNHYGN-UHFFFAOYSA-N -1 0 328.727 3.291 20 30 EGEDRM N#Cc1ccc(CC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC000186070399 144124723 /nfs/dbraw/zinc/12/47/23/144124723.db2.gz UOOSXUYNJKCWSS-UHFFFAOYSA-N -1 0 331.715 3.007 20 30 EGEDRM N#Cc1cc([N-]S(=O)(=O)c2cc(F)ccc2F)nc2ccccc12 ZINC000351218804 144260560 /nfs/dbraw/zinc/26/05/60/144260560.db2.gz GONYNAKVOSMYKJ-UHFFFAOYSA-N -1 0 345.330 3.185 20 30 EGEDRM CCC(CC)(CNc1ncc(Br)cc1C#N)C(=O)[O-] ZINC000311945125 154148978 /nfs/dbraw/zinc/14/89/78/154148978.db2.gz IPNIBYPDBYZPAY-UHFFFAOYSA-N -1 0 326.194 3.019 20 30 EGEDRM N#Cc1nc(NC(=O)c2cccc(-c3c(F)cccc3F)c2)[n-]c1C#N ZINC000339930370 155036429 /nfs/dbraw/zinc/03/64/29/155036429.db2.gz FMZLHHBQJBGUKK-UHFFFAOYSA-N -1 0 349.300 3.351 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2O)cc1 ZINC000352629540 156389039 /nfs/dbraw/zinc/38/90/39/156389039.db2.gz ICNLRNLRSPQTCS-UHFFFAOYSA-N -1 0 343.191 3.371 20 30 EGEDRM CCOc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2OC)c(C)c1 ZINC000355052640 166094865 /nfs/dbraw/zinc/09/48/65/166094865.db2.gz HLXZFOPLRWFCFH-UHFFFAOYSA-N -1 0 346.408 3.075 20 30 EGEDRM N#Cc1cc(F)ccc1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000352871668 165542537 /nfs/dbraw/zinc/54/25/37/165542537.db2.gz SMPNQZAHQQYLRQ-UHFFFAOYSA-N -1 0 328.727 3.291 20 30 EGEDRM COC(=O)c1ccc(Cl)c(/C=C/c2nc(C(=O)[O-])ccc2C#N)c1 ZINC000359522500 167178440 /nfs/dbraw/zinc/17/84/40/167178440.db2.gz FPFOKSBVMRQJSJ-ZZXKWVIFSA-N -1 0 342.738 3.262 20 30 EGEDRM COc1ccc2c(c1[N-]S(=O)(=O)c1ccc(C#N)cc1C)CCC2 ZINC000359665051 167205676 /nfs/dbraw/zinc/20/56/76/167205676.db2.gz QVGWEKXNPLTBAP-UHFFFAOYSA-N -1 0 342.420 3.165 20 30 EGEDRM C[C@H](Cc1cccc(Cl)c1)C(=O)N=c1[nH][n-]c(C2CC2)c1C#N ZINC000359724088 167215035 /nfs/dbraw/zinc/21/50/35/167215035.db2.gz LJQPEVIUORHUCF-SNVBAGLBSA-N -1 0 328.803 3.051 20 30 EGEDRM Cc1[nH]c2ccc(Cl)cc2c1C(=O)N=c1[nH][n-]c(C2CC2)c1C#N ZINC000359723397 167215140 /nfs/dbraw/zinc/21/51/40/167215140.db2.gz JKVHTJORNHEMRL-UHFFFAOYSA-N -1 0 339.786 3.276 20 30 EGEDRM Cc1cc(C(=O)N=c2[n-]n(C(C)(C)C)cc2C#N)c(C)cc1Cl ZINC000483723397 269910008 /nfs/dbraw/zinc/91/00/08/269910008.db2.gz JFWROYHDBCDQOS-UHFFFAOYSA-N -1 0 330.819 3.454 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)C=Cc2cccc(C#N)c2)cc1 ZINC000048422687 270037614 /nfs/dbraw/zinc/03/76/14/270037614.db2.gz QNXLSRBISUFBHC-YFHOEESVSA-N -1 0 326.377 3.225 20 30 EGEDRM CC(C)n1cc(C#N)c(=NC(=O)[C@@H]2CC(C)(C)Oc3ccccc32)[n-]1 ZINC000415252150 270047721 /nfs/dbraw/zinc/04/77/21/270047721.db2.gz GHHDEZCPOVOGJE-OAHLLOKOSA-N -1 0 338.411 3.041 20 30 EGEDRM Cc1[n-][nH]c(=NC(=O)c2csc(-c3ccc(Cl)cc3)n2)c1C#N ZINC000431446860 270050200 /nfs/dbraw/zinc/05/02/00/270050200.db2.gz SFIBMWBVWMOUNK-UHFFFAOYSA-N -1 0 343.799 3.041 20 30 EGEDRM CCc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2OC)c1CC ZINC000486072360 270055503 /nfs/dbraw/zinc/05/55/03/270055503.db2.gz WALMDIBDXSWIIB-UHFFFAOYSA-N -1 0 344.436 3.492 20 30 EGEDRM N#Cc1ccc(Br)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000185156161 265484790 /nfs/dbraw/zinc/48/47/90/265484790.db2.gz NTWUSFTVIRASSF-UHFFFAOYSA-N -1 0 337.198 3.122 20 30 EGEDRM CN(C(=O)c1ccc(C#N)c([O-])c1)c1cccc(OC(F)(F)F)c1 ZINC000442958112 267277947 /nfs/dbraw/zinc/27/79/47/267277947.db2.gz VNCLYOGXDFCBHO-UHFFFAOYSA-N -1 0 336.269 3.439 20 30 EGEDRM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000183036393 267392006 /nfs/dbraw/zinc/39/20/06/267392006.db2.gz SENGZKSHACMYJU-UHFFFAOYSA-N -1 0 331.784 3.193 20 30 EGEDRM Cc1ccsc1-c1nc(=NC(=O)c2cccc(C#N)c2C)s[n-]1 ZINC000509313871 268066090 /nfs/dbraw/zinc/06/60/90/268066090.db2.gz MQJOPMNCXHXNQM-UHFFFAOYSA-N -1 0 340.433 3.429 20 30 EGEDRM CC(C)(C)Oc1ccc([N-]S(=O)(=O)c2cncc(F)c2)cc1C#N ZINC000451080024 269595362 /nfs/dbraw/zinc/59/53/62/269595362.db2.gz BWXKRBCULWTPBR-UHFFFAOYSA-N -1 0 349.387 3.070 20 30 EGEDRM Cc1cccc(S(=O)(=O)[N-]c2ccc(-c3ncco3)cc2)c1C#N ZINC000157719642 307849500 /nfs/dbraw/zinc/84/95/00/307849500.db2.gz ZFEACWUIABGCIN-UHFFFAOYSA-N -1 0 339.376 3.323 20 30 EGEDRM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2ccc(C#N)cc2F)n[nH]1 ZINC000159875675 307881609 /nfs/dbraw/zinc/88/16/09/307881609.db2.gz DLKRIRSBZZJFRJ-SNVBAGLBSA-N -1 0 336.392 3.125 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)N2CC3(CCC3)[C@@H]2C(C)C)cc1C#N ZINC000552722646 315229847 /nfs/dbraw/zinc/22/98/47/315229847.db2.gz WUCBLSUHCDZQKS-ZDUSSCGKSA-N -1 0 331.441 3.031 20 30 EGEDRM C=C(C)CS(=O)(=O)[N-][C@H](c1c(F)cccc1F)C(F)(F)F ZINC000280486128 455980459 /nfs/dbraw/zinc/98/04/59/455980459.db2.gz BAQGSTHEMUXVEK-LLVKDONJSA-N -1 0 329.290 3.064 20 30 EGEDRM COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000230332855 456137386 /nfs/dbraw/zinc/13/73/86/456137386.db2.gz JIUSZGSDQGPSSH-UHFFFAOYSA-N -1 0 342.829 3.391 20 30 EGEDRM C=CCN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000237811676 455221162 /nfs/dbraw/zinc/22/11/62/455221162.db2.gz RSSJZBAKXIBNDH-UHFFFAOYSA-N -1 0 345.420 3.070 20 30 EGEDRM CSCc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2F)c1 ZINC000158162739 455276090 /nfs/dbraw/zinc/27/60/90/455276090.db2.gz JRLPWCYWYSSEFP-UHFFFAOYSA-N -1 0 336.413 3.361 20 30 EGEDRM O=C([N-]S(=O)(=O)c1cccnc1)c1cccc(OC2CCCC2)c1 ZINC000066722984 453867158 /nfs/dbraw/zinc/86/71/58/453867158.db2.gz GKXLWRJBFYGBEF-UHFFFAOYSA-N -1 0 346.408 3.097 20 30 EGEDRM N#CC(=C([O-])c1nn(-c2ccc(F)cc2)c2c1CCC2)c1ccccn1 ZINC000041491991 453968554 /nfs/dbraw/zinc/96/85/54/453968554.db2.gz JIWCKZULYXOCEX-MRXNPFEDSA-N -1 0 346.365 3.385 20 30 EGEDRM N#CC(=C([O-])c1ccc2c(c1)NC(=O)CS2)c1nc2ccccc2o1 ZINC000041548143 453971154 /nfs/dbraw/zinc/97/11/54/453971154.db2.gz VFIXPLGTAAYVNG-NSHDSACASA-N -1 0 349.371 3.362 20 30 EGEDRM Cc1ccc(C=CC(=O)[N-]S(=O)(=O)Cc2ccc(C#N)cc2)cc1 ZINC000042308302 454004894 /nfs/dbraw/zinc/00/48/94/454004894.db2.gz ZUTGOZRXFOIHOK-ZHACJKMWSA-N -1 0 340.404 3.366 20 30 EGEDRM CC(C)Oc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000057122635 454103687 /nfs/dbraw/zinc/10/36/87/454103687.db2.gz PESGPLDORZLKTC-UHFFFAOYSA-N -1 0 334.372 3.285 20 30 EGEDRM O=C(C=Cc1ccc2c(c1)CCO2)[N-]S(=O)(=O)Cc1ccccc1 ZINC000069612552 454124099 /nfs/dbraw/zinc/12/40/99/454124099.db2.gz CKDJQZONISXRAX-VQHVLOKHSA-N -1 0 343.404 3.121 20 30 EGEDRM C=CCN(CCc1ccccc1)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000130454850 454198633 /nfs/dbraw/zinc/19/86/33/454198633.db2.gz WTCGKZPZSJXUMU-UHFFFAOYSA-N -1 0 326.352 3.171 20 30 EGEDRM N#CC(=C([O-])c1csc(-c2ccc3c(c2)OCO3)n1)c1ccccn1 ZINC000071855187 454232489 /nfs/dbraw/zinc/23/24/89/454232489.db2.gz GIJMZWLTVIOUHE-GFCCVEGCSA-N -1 0 349.371 3.424 20 30 EGEDRM O=C([O-])c1ccc(/C=C\C(=O)c2cccc(N3CCOC3=O)c2)cc1 ZINC000096400755 454321080 /nfs/dbraw/zinc/32/10/80/454321080.db2.gz BUXULTFETBDRLP-TWGQIWQCSA-N -1 0 337.331 3.238 20 30 EGEDRM COc1cc(/C=C\C(=O)c2ccc(C(=O)[O-])s2)cc(OC)c1O ZINC000096794917 454382776 /nfs/dbraw/zinc/38/27/76/454382776.db2.gz BXQFANQLAZKTQS-ARJAWSKDSA-N -1 0 334.349 3.065 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2cccnc2OCC(F)(F)F)n1 ZINC000122302623 454520812 /nfs/dbraw/zinc/52/08/12/454520812.db2.gz RYXSMESANGJPKI-JTQLQIEISA-N -1 0 341.314 3.278 20 30 EGEDRM O=C(c1c([O-])cccc1F)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000125133601 454799804 /nfs/dbraw/zinc/79/98/04/454799804.db2.gz PMDAJHBIPQOYNU-UHFFFAOYSA-N -1 0 345.214 3.488 20 30 EGEDRM CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cc(C#N)ccc1C ZINC000114673593 454967929 /nfs/dbraw/zinc/96/79/29/454967929.db2.gz SAJBSLAARZAFIH-UHFFFAOYSA-N -1 0 334.372 3.205 20 30 EGEDRM CC(C)(C)c1[n-]n(Cc2ccccc2[N+](=O)[O-])c(=O)c1CCC#N ZINC000151839825 455037667 /nfs/dbraw/zinc/03/76/67/455037667.db2.gz IHGVQLZCNHVDCW-UHFFFAOYSA-N -1 0 328.372 3.299 20 30 EGEDRM N#CC(=C([O-])c1cccc(OCC(F)F)n1)c1nc2ccccc2o1 ZINC000179363441 455039378 /nfs/dbraw/zinc/03/93/78/455039378.db2.gz LIKVWIDCVDBNCD-SNVBAGLBSA-N -1 0 343.289 3.357 20 30 EGEDRM N#CCCCOc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000179439328 455048626 /nfs/dbraw/zinc/04/86/26/455048626.db2.gz HUEFEAIXPDCZSS-UHFFFAOYSA-N -1 0 341.323 3.235 20 30 EGEDRM CCSc1cc(C([O-])=C(C#N)c2nnc3n2CCCCC3)ccn1 ZINC000183514247 455301616 /nfs/dbraw/zinc/30/16/16/455301616.db2.gz PCMRGGULFBKSMV-ZDUSSCGKSA-N -1 0 341.440 3.002 20 30 EGEDRM Cc1cc(C)n(-c2cccc(NC(=O)c3ccc(C#N)c([O-])c3)c2)n1 ZINC000190507451 455334589 /nfs/dbraw/zinc/33/45/89/455334589.db2.gz AVQCZNYQPUCMDM-UHFFFAOYSA-N -1 0 332.363 3.319 20 30 EGEDRM CCC(=O)Nc1cccc(C([O-])=C(C#N)c2cnc3ccccc3n2)c1 ZINC000190892603 455399272 /nfs/dbraw/zinc/39/92/72/455399272.db2.gz UNKMBJHTUVNLMH-HNNXBMFYSA-N -1 0 344.374 3.468 20 30 EGEDRM Cc1ccc(F)c(-c2cc(NC(=O)c3ccc(C#N)c([O-])c3)n[nH]2)c1 ZINC000191258830 455472808 /nfs/dbraw/zinc/47/28/08/455472808.db2.gz PEXRUUYGCHBMNI-UHFFFAOYSA-N -1 0 336.326 3.354 20 30 EGEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(Cl)ccc2O)c1 ZINC000160715000 455491093 /nfs/dbraw/zinc/49/10/93/455491093.db2.gz XUYKRZQRSXXWDK-UHFFFAOYSA-N -1 0 343.191 3.371 20 30 EGEDRM C=CCN(CCOC)C(=O)c1cc(Br)cc(Cl)c1[O-] ZINC000191790236 455520417 /nfs/dbraw/zinc/52/04/17/455520417.db2.gz LCIVRQXENCTXOV-UHFFFAOYSA-N -1 0 348.624 3.083 20 30 EGEDRM CCCCCCCC(=O)Nc1cc(C(=O)[O-])cc(S(C)(=O)=O)c1 ZINC000268937783 455736821 /nfs/dbraw/zinc/73/68/21/455736821.db2.gz CWHQSBPVJODRLZ-UHFFFAOYSA-N -1 0 341.429 3.087 20 30 EGEDRM COc1cccc(C([O-])=C(C#N)c2cnc3ccccc3n2)c1[N+](=O)[O-] ZINC000193040302 455738562 /nfs/dbraw/zinc/73/85/62/455738562.db2.gz WBGCARCGJQPYRS-GFCCVEGCSA-N -1 0 348.318 3.037 20 30 EGEDRM N#CCN(Cc1cc(=O)oc2cc([O-])c(Cl)cc12)C1CCCC1 ZINC000285131759 455792754 /nfs/dbraw/zinc/79/27/54/455792754.db2.gz SJMCZWSWRHKLER-UHFFFAOYSA-N -1 0 332.787 3.420 20 30 EGEDRM Cc1cc(C)n(N=Cc2cc(Cl)cc(Cl)c2[O-])c(=O)c1C#N ZINC000252460096 455805571 /nfs/dbraw/zinc/80/55/71/455805571.db2.gz BOQDSEPJFAGBCA-UHFFFAOYSA-N -1 0 336.178 3.231 20 30 EGEDRM COC(C)(C)c1nc(=NCc2cccc(OCCCC#N)c2)s[n-]1 ZINC000601068575 460698523 /nfs/dbraw/zinc/69/85/23/460698523.db2.gz NJQQFBMUPWYDHG-UHFFFAOYSA-N -1 0 346.456 3.136 20 30 EGEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)c1cc(C(=O)[O-])c(CC)o1 ZINC000261642106 455919403 /nfs/dbraw/zinc/91/94/03/455919403.db2.gz KZIRBLBRXWLLIM-UHFFFAOYSA-N -1 0 343.379 3.377 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2ccccc2O[C@H](C)C#N)sc1C ZINC000272373642 455929399 /nfs/dbraw/zinc/92/93/99/455929399.db2.gz AIOUJRYMQSJGFY-LLVKDONJSA-N -1 0 336.438 3.457 20 30 EGEDRM N#C[C@H](NC(=O)c1cccc2n[nH]nc21)c1ccc(Cl)c(Cl)c1 ZINC000187843365 455960172 /nfs/dbraw/zinc/96/01/72/455960172.db2.gz OFCDIHCPJMJDIH-ZDUSSCGKSA-N -1 0 346.177 3.259 20 30 EGEDRM CC1(C)Cc2cccc(S(=O)(=O)[N-]c3ccc(CC#N)cc3)c2O1 ZINC000195504205 455969931 /nfs/dbraw/zinc/96/99/31/455969931.db2.gz XWABVMNBNYGIAP-UHFFFAOYSA-N -1 0 342.420 3.267 20 30 EGEDRM Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000188239642 456028315 /nfs/dbraw/zinc/02/83/15/456028315.db2.gz CDPZZRBCZXXNMA-UHFFFAOYSA-N -1 0 332.363 3.319 20 30 EGEDRM C=CCC[C@@H](NC(=O)CCc1ccc(-c2ccccc2)[nH]1)C(=O)[O-] ZINC000262799453 456059231 /nfs/dbraw/zinc/05/92/31/456059231.db2.gz CMDJIPOFNYZLNL-QGZVFWFLSA-N -1 0 326.396 3.150 20 30 EGEDRM C=CCC[C@H](NC(=O)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000262932906 456069950 /nfs/dbraw/zinc/06/99/50/456069950.db2.gz PCHLWLIWBLIVJC-RDBSUJKOSA-N -1 0 341.329 3.345 20 30 EGEDRM CC(C)(C)c1nc2cc([N-]S(=O)(=O)c3ccc(C#N)o3)ccc2[nH]1 ZINC000288665973 456102619 /nfs/dbraw/zinc/10/26/19/456102619.db2.gz VSBXIEIHIGSKQS-UHFFFAOYSA-N -1 0 344.396 3.126 20 30 EGEDRM C[C@H]1C[C@H](C(=O)[O-])CN(c2c(C#N)cnc3c(F)c(F)c(F)cc32)C1 ZINC000263230395 456113589 /nfs/dbraw/zinc/11/35/89/456113589.db2.gz QMFHBIPICPEDIP-IUCAKERBSA-N -1 0 349.312 3.071 20 30 EGEDRM C=CCOc1ccc(C(=O)N[C@H]2CCCCC[C@H]2C(=O)[O-])cc1OC ZINC000263457880 456150960 /nfs/dbraw/zinc/15/09/60/456150960.db2.gz PLHNOTXMUFAKKC-CABCVRRESA-N -1 0 347.411 3.023 20 30 EGEDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(CC#N)cc2)c1[N+](=O)[O-] ZINC000189245339 456263626 /nfs/dbraw/zinc/26/36/26/456263626.db2.gz ZIXWLQCIILGETC-UHFFFAOYSA-N -1 0 345.380 3.079 20 30 EGEDRM C=CCn1c(=O)c2ccc(C(=O)N(CCC)CCC)cc2[n-]c1=S ZINC000298168877 456379869 /nfs/dbraw/zinc/37/98/69/456379869.db2.gz YVHVFZSPLAWCSW-UHFFFAOYSA-N -1 0 345.468 3.133 20 30 EGEDRM COc1cc(C#N)ccc1Oc1ccc(NC(=O)CCC(=O)[O-])cc1 ZINC000338199633 456700568 /nfs/dbraw/zinc/70/05/68/456700568.db2.gz OMPQPMHKYHCFDE-UHFFFAOYSA-N -1 0 340.335 3.162 20 30 EGEDRM N#CCCSc1ccccc1[N-]S(=O)(=O)c1cncc(F)c1 ZINC000341799740 456949898 /nfs/dbraw/zinc/94/98/98/456949898.db2.gz HIOWXODNPQXEFW-UHFFFAOYSA-N -1 0 337.401 3.027 20 30 EGEDRM O=C(Nc1ccccc1O)C1CCN(C(=O)[C@H]2CCCOCC2)CC1 ZINC000330194241 456999263 /nfs/dbraw/zinc/99/92/63/456999263.db2.gz AXPSNASVYSDZBD-HNNXBMFYSA-N -1 0 346.427 3.036 20 30 EGEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(OCC(C)C)nc1 ZINC000354163702 457103162 /nfs/dbraw/zinc/10/31/62/457103162.db2.gz ZNRGMPLITFVOSM-UHFFFAOYSA-N -1 0 345.424 3.097 20 30 EGEDRM CCCc1c(C([O-])=C(C#N)c2ccncn2)cnn1-c1cccc(F)c1 ZINC000354466844 457242220 /nfs/dbraw/zinc/24/22/20/457242220.db2.gz KHRXYZUQKIZENB-HNNXBMFYSA-N -1 0 349.369 3.244 20 30 EGEDRM CCCc1nc(=N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)s[n-]1 ZINC000360086583 457248278 /nfs/dbraw/zinc/24/82/78/457248278.db2.gz ZCPATTWXMVHELT-ZDUSSCGKSA-N -1 0 345.447 3.004 20 30 EGEDRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N[C@@H]3CCC[C@@H]3C#N)n2)cc1 ZINC000332103186 457305054 /nfs/dbraw/zinc/30/50/54/457305054.db2.gz DCBLUKGCKPDGME-GDBMZVCRSA-N -1 0 338.411 3.123 20 30 EGEDRM CC(C)(C)CCS(=O)(=O)[N-]c1cc(C#N)ccc1OC(F)F ZINC000357104597 457324418 /nfs/dbraw/zinc/32/44/18/457324418.db2.gz MMAHICCEXBNEKY-UHFFFAOYSA-N -1 0 332.372 3.338 20 30 EGEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]C2(c3ccccc3)CCC2)c(F)c1 ZINC000342578215 457375015 /nfs/dbraw/zinc/37/50/15/457375015.db2.gz BOEXPJDPVXEAOM-UHFFFAOYSA-N -1 0 348.374 3.194 20 30 EGEDRM C=CCN(Cc1ccccc1F)C(=O)Cc1ccccc1C(=O)[O-] ZINC000347388407 457395509 /nfs/dbraw/zinc/39/55/09/457395509.db2.gz YUMIBSFOKKDFSW-UHFFFAOYSA-N -1 0 327.355 3.281 20 30 EGEDRM Cc1ccsc1S(=O)(=O)[N-]c1cc(C)c(N(C)C)cc1C#N ZINC000357495928 457565127 /nfs/dbraw/zinc/56/51/27/457565127.db2.gz ZZUHSXGXFUWVKZ-UHFFFAOYSA-N -1 0 335.454 3.103 20 30 EGEDRM C=CCOc1ccc(CNCc2nc(C)c(C(=O)[O-])s2)cc1OC ZINC000426688546 457879178 /nfs/dbraw/zinc/87/91/78/457879178.db2.gz QZTNWBGKFPKORP-UHFFFAOYSA-N -1 0 348.424 3.013 20 30 EGEDRM N#CC(=C([O-])c1ccccc1[N+](=O)[O-])c1cc(C(F)(F)F)ccn1 ZINC000362127992 458032358 /nfs/dbraw/zinc/03/23/58/458032358.db2.gz CHOUEGIWOAWYMP-LLVKDONJSA-N -1 0 335.241 3.499 20 30 EGEDRM COc1ccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)cn1 ZINC000358654502 458132810 /nfs/dbraw/zinc/13/28/10/458132810.db2.gz UQCLBHGMHIHQNF-CYBMUJFWSA-N -1 0 336.376 3.099 20 30 EGEDRM CC1(C)Cc2cc([N-]S(=O)(=O)c3ccc(C#N)s3)ccc2O1 ZINC000435475543 458154325 /nfs/dbraw/zinc/15/43/25/458154325.db2.gz VEZASBFFNMLQIB-UHFFFAOYSA-N -1 0 334.422 3.134 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(COCC3CC3)c2)s1 ZINC000435488023 458155900 /nfs/dbraw/zinc/15/59/00/458155900.db2.gz AGPRUTQYJMQJGN-UHFFFAOYSA-N -1 0 348.449 3.347 20 30 EGEDRM C=CCn1c(SCc2cc([O-])ccc2[N+](=O)[O-])nnc1C1CC1 ZINC000436472946 458309252 /nfs/dbraw/zinc/30/92/52/458309252.db2.gz CDCLZPWJUQAYBC-UHFFFAOYSA-N -1 0 332.385 3.248 20 30 EGEDRM C[C@](CC(=O)[O-])(C(=O)NCc1ccc(C#N)c(F)c1)C1CCCCC1 ZINC000414083858 458314308 /nfs/dbraw/zinc/31/43/08/458314308.db2.gz DXKOBMXYCAEYRF-LJQANCHMSA-N -1 0 346.402 3.375 20 30 EGEDRM Cc1c(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)nnn1C(C)C ZINC000429669553 458355706 /nfs/dbraw/zinc/35/57/06/458355706.db2.gz GKIPJWSOFQNUFF-NSHDSACASA-N -1 0 337.305 3.071 20 30 EGEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(Oc2ccc(C)cc2)nc1 ZINC000416933356 458357071 /nfs/dbraw/zinc/35/70/71/458357071.db2.gz ASVGQHVGINSXHN-OAHLLOKOSA-N -1 0 331.397 3.226 20 30 EGEDRM C=CCC[C@H](NC(=O)CCCOc1ccc(Cl)cc1)C(=O)[O-] ZINC000448991689 458418468 /nfs/dbraw/zinc/41/84/68/458418468.db2.gz JQZWUEXTFLWWOE-AWEZNQCLSA-N -1 0 325.792 3.035 20 30 EGEDRM CC(=O)c1cc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)n(C)c1 ZINC000430588732 458467453 /nfs/dbraw/zinc/46/74/53/458467453.db2.gz AKUPIVKDXUPRQM-LBPRGKRZSA-N -1 0 329.425 3.472 20 30 EGEDRM C=CCN=c1[n-]nc(SCc2ccc(O)c3nc(C)ccc23)s1 ZINC000508987739 458769103 /nfs/dbraw/zinc/76/91/03/458769103.db2.gz PMJVNSCLQOTLTM-UHFFFAOYSA-N -1 0 344.465 3.412 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)NCc2ccc([C@@H]3C[C@@H]3C)o2)cc1C#N ZINC000515965804 458814155 /nfs/dbraw/zinc/81/41/55/458814155.db2.gz QVHSOZSKVDYKAE-JOYOIKCWSA-N -1 0 343.408 3.027 20 30 EGEDRM CC(C)(C#N)CCS(=O)(=O)[N-]c1ccccc1OC(F)(F)F ZINC000550105590 458884750 /nfs/dbraw/zinc/88/47/50/458884750.db2.gz NJHLBDOLOLRZIJ-UHFFFAOYSA-N -1 0 336.335 3.267 20 30 EGEDRM Cc1cc(C#N)cnc1C([O-])=C(C#N)c1nc(-c2ccncc2)cs1 ZINC000551802077 458889469 /nfs/dbraw/zinc/88/94/69/458889469.db2.gz QKYSIANLTSDWIQ-AWEZNQCLSA-N -1 0 345.387 3.270 20 30 EGEDRM Cn1nc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)cc1C1CC1 ZINC000442618010 459016958 /nfs/dbraw/zinc/01/69/58/459016958.db2.gz FYTQXNWTKHGMOD-LLVKDONJSA-N -1 0 334.301 3.201 20 30 EGEDRM N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000533445186 459236865 /nfs/dbraw/zinc/23/68/65/459236865.db2.gz HGRWJTVNJJLJNZ-SJLPKXTDSA-N -1 0 347.422 3.080 20 30 EGEDRM CC(C)C[C@H](CNC(=O)N[C@H](C)c1ccc(C#N)cc1)CC(=O)[O-] ZINC000595260517 459264003 /nfs/dbraw/zinc/26/40/03/459264003.db2.gz ANWWHNDJHZQNLL-HIFRSBDPSA-N -1 0 331.416 3.055 20 30 EGEDRM N#Cc1cccc(NC(=O)N(CC(=O)[O-])Cc2ccc(Cl)cc2)c1 ZINC000582278549 459337785 /nfs/dbraw/zinc/33/77/85/459337785.db2.gz PJDAQVWWVMPMSX-UHFFFAOYSA-N -1 0 343.770 3.330 20 30 EGEDRM CN(CCC(C#N)(c1ccccc1)c1ccccc1)Cc1n[n-]c(=O)o1 ZINC000595547405 459343270 /nfs/dbraw/zinc/34/32/70/459343270.db2.gz NSLWEAKHOJNIDQ-UHFFFAOYSA-N -1 0 348.406 3.107 20 30 EGEDRM C=CCC[C@H](NC(=O)Nc1cccc(OCC(F)(F)F)c1)C(=O)[O-] ZINC000560487935 459356712 /nfs/dbraw/zinc/35/67/12/459356712.db2.gz PFJDRDRLWOGQQV-LBPRGKRZSA-N -1 0 346.305 3.169 20 30 EGEDRM N#CC1(CC(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)CCCCC1 ZINC000595998042 459492900 /nfs/dbraw/zinc/49/29/00/459492900.db2.gz RFDZBZBHDIZIIJ-INIZCTEOSA-N -1 0 326.396 3.061 20 30 EGEDRM C=C[C@@H]1OCCC[C@H]1C(=O)N=c1nc(-c2ccccc2Cl)[n-]s1 ZINC000583198748 459499897 /nfs/dbraw/zinc/49/98/97/459499897.db2.gz DTVPUEJBWHQXPK-YPMHNXCESA-N -1 0 349.843 3.200 20 30 EGEDRM COC[C@@H](C)Oc1cccc(-c2cc(OCC(=O)[O-])ccc2C#N)c1 ZINC000569824828 459516663 /nfs/dbraw/zinc/51/66/63/459516663.db2.gz FNYIZBGPWLOETD-CYBMUJFWSA-N -1 0 341.363 3.102 20 30 EGEDRM N#Cc1ccc2c(c1)CCC[C@@H]2N=c1ccc(OCC(F)(F)F)n[n-]1 ZINC000596278276 459581767 /nfs/dbraw/zinc/58/17/67/459581767.db2.gz NQVNBQUHIMBRNL-AWEZNQCLSA-N -1 0 348.328 3.201 20 30 EGEDRM C[S@@](=O)Cc1cccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)c1 ZINC000592399094 459592594 /nfs/dbraw/zinc/59/25/94/459592594.db2.gz MMGOOGYXWQMNBS-LFVRLGFBSA-N -1 0 344.461 3.389 20 30 EGEDRM C=CCC[C@@H](NC(=O)N[C@@H](CC)c1ccc(F)cc1F)C(=O)[O-] ZINC000562974508 459685276 /nfs/dbraw/zinc/68/52/76/459685276.db2.gz LQAZWCHDDFYHGP-UONOGXRCSA-N -1 0 326.343 3.135 20 30 EGEDRM CCc1ccccc1S(=O)(=O)[N-]c1cc(C)c(N(C)C)cc1C#N ZINC000573856906 459745988 /nfs/dbraw/zinc/74/59/88/459745988.db2.gz RZDDLYSFJWFDQN-UHFFFAOYSA-N -1 0 343.452 3.296 20 30 EGEDRM N#Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3ccoc3)cn2)cc1 ZINC000586474860 459859763 /nfs/dbraw/zinc/85/97/63/459859763.db2.gz GHUQQVRZQCDOHZ-UHFFFAOYSA-N -1 0 341.348 3.139 20 30 EGEDRM CC(C)(C#N)S(=O)(=O)c1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000575319029 459959511 /nfs/dbraw/zinc/95/95/11/459959511.db2.gz DHTSGDGYWKNNII-UHFFFAOYSA-N -1 0 329.377 3.128 20 30 EGEDRM C[C@H](C(=O)N=c1[nH][n-]c(C2CC2)c1C#N)c1ccccc1C(F)(F)F ZINC000588767342 459979987 /nfs/dbraw/zinc/97/99/87/459979987.db2.gz PJICZDHZLKXLKF-VIFPVBQESA-N -1 0 348.328 3.342 20 30 EGEDRM C[C@@H](NC(=O)Nc1ccc(C#N)cc1Cl)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000593955885 460026793 /nfs/dbraw/zinc/02/67/93/460026793.db2.gz FAOCEQCIIGCJCM-ADEWGFFLSA-N -1 0 349.818 3.469 20 30 EGEDRM C[C@H](C#N)CSc1ccccc1NC(=O)c1noc2c1COCC2 ZINC000598933353 460094889 /nfs/dbraw/zinc/09/48/89/460094889.db2.gz VUXOLWVIPQGZFN-LLVKDONJSA-N -1 0 343.408 3.251 20 30 EGEDRM C=CCOc1cccc(NC(=O)N[C@@H](C(=O)[O-])c2ccsc2)c1 ZINC000576421366 460138994 /nfs/dbraw/zinc/13/89/94/460138994.db2.gz WYFLSMLOALDGFO-CQSZACIVSA-N -1 0 332.381 3.260 20 30 EGEDRM N#Cc1ccc(NC(=O)C[C@@H](C(=O)[O-])c2ccccc2)c(Cl)c1 ZINC000610853425 460248067 /nfs/dbraw/zinc/24/80/67/460248067.db2.gz OBFQQBZCXSPJKW-CYBMUJFWSA-N -1 0 328.755 3.409 20 30 EGEDRM C=CCC1(NC(=O)c2cc(=O)n(-c3ccc(C)cc3)[n-]2)CCCC1 ZINC000619107701 460271320 /nfs/dbraw/zinc/27/13/20/460271320.db2.gz HZNXZNVXVOCRNN-UHFFFAOYSA-N -1 0 325.412 3.093 20 30 EGEDRM CC(C)c1ccc([C@@H]2CCCN2C(=O)N=c2[n-]n(C)cc2C#N)cc1 ZINC000611162082 460299579 /nfs/dbraw/zinc/29/95/79/460299579.db2.gz RQULUTOGORNBFP-KRWDZBQOSA-N -1 0 337.427 3.206 20 30 EGEDRM N#Cc1ccc(CNC(=O)CC2(C(=O)[O-])CCCCC2)cc1Cl ZINC000619743247 460428497 /nfs/dbraw/zinc/42/84/97/460428497.db2.gz PZGIITMWGWLGRB-UHFFFAOYSA-N -1 0 334.803 3.253 20 30 EGEDRM Cc1ccc(SC2(C(=O)N=c3[nH][n-]cc3C#N)CCCC2)cc1 ZINC000601639247 460853932 /nfs/dbraw/zinc/85/39/32/460853932.db2.gz MBTYAVCVNBBJRQ-UHFFFAOYSA-N -1 0 326.425 3.055 20 30 EGEDRM N#Cc1c[n-][nH]c1=NC(=O)C1(c2ccc(Cl)c(Cl)c2)CCC1 ZINC000601640088 460854299 /nfs/dbraw/zinc/85/42/99/460854299.db2.gz USCFOWNUPZPIQB-UHFFFAOYSA-N -1 0 335.194 3.070 20 30 EGEDRM N#Cc1c[n-][nH]c1=NC(=O)C1(c2ccc(Cl)cc2)CCCCC1 ZINC000601641944 460854430 /nfs/dbraw/zinc/85/44/30/460854430.db2.gz TXPZZKCZFRVCSR-UHFFFAOYSA-N -1 0 328.803 3.197 20 30 EGEDRM Cc1[n-][nH]c(=NC(=O)C2(Sc3ccccc3)CCCC2)c1C#N ZINC000601678815 460865999 /nfs/dbraw/zinc/86/59/99/460865999.db2.gz GENCRGCXHRTIOK-UHFFFAOYSA-N -1 0 326.425 3.055 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2coc(SC)c2)n1 ZINC000601727857 460885305 /nfs/dbraw/zinc/88/53/05/460885305.db2.gz HIMXPSOKFIVCAA-SECBINFHSA-N -1 0 336.394 3.125 20 30 EGEDRM C[C@H](C#N)CSc1ccccc1NC(=O)[C@H]1[C@H](C(=O)[O-])C1(C)C ZINC000601984536 460971505 /nfs/dbraw/zinc/97/15/05/460971505.db2.gz PBZCRDKJGARGSX-LERXQTSPSA-N -1 0 332.425 3.234 20 30 EGEDRM C=CC[C@H](CC)NC(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC000630290581 461085937 /nfs/dbraw/zinc/08/59/37/461085937.db2.gz YYCAIUQOSYCTJF-LBPRGKRZSA-N -1 0 326.190 3.232 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)c1cc(C2CC2)nc2ccc(F)cc21)C(=O)[O-] ZINC000630319477 461094399 /nfs/dbraw/zinc/09/43/99/461094399.db2.gz BHSCNJGDEQLPEJ-QGZVFWFLSA-N -1 0 342.370 3.401 20 30 EGEDRM C=C(C)C[C@H](NC(=O)[C@H](C)Cc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000630327144 461095950 /nfs/dbraw/zinc/09/59/50/461095950.db2.gz XILRDLPDSZPYGG-RISCZKNCSA-N -1 0 343.345 3.420 20 30 EGEDRM Cc1ccc(-n2cc(C([O-])=C(C#N)c3nc(C4CC4)cs3)nn2)cc1 ZINC000647377217 461667334 /nfs/dbraw/zinc/66/73/34/461667334.db2.gz YCTJFTPDJGIRMI-AWEZNQCLSA-N -1 0 349.419 3.400 20 30 EGEDRM C=CCN(Cc1ccc(Cl)s1)C(=O)NCCCCC(=O)[O-] ZINC000666557773 461691035 /nfs/dbraw/zinc/69/10/35/461691035.db2.gz WAJGREFNXDPESG-UHFFFAOYSA-N -1 0 330.837 3.354 20 30 EGEDRM C=CCC[C@@H](NC(=O)NCc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000656596640 461800374 /nfs/dbraw/zinc/80/03/74/461800374.db2.gz KGAXKKPOXJKUNQ-GFCCVEGCSA-N -1 0 331.199 3.212 20 30 EGEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1nc2c(s1)C[C@@H](C)CC2 ZINC000077966178 472644943 /nfs/dbraw/zinc/64/49/43/472644943.db2.gz PFTNVERXRMSGNY-JTQLQIEISA-N -1 0 347.465 3.249 20 30 EGEDRM CCCOc1cccc(C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)c1 ZINC000048608655 520438837 /nfs/dbraw/zinc/43/88/37/520438837.db2.gz HWIYRTFBAURWOX-UHFFFAOYSA-N -1 0 344.392 3.041 20 30 EGEDRM COc1ccc(OCC(=O)[N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000046929283 524925468 /nfs/dbraw/zinc/92/54/68/524925468.db2.gz GADYOKFXIFTUFR-UHFFFAOYSA-N -1 0 349.408 3.036 20 30 EGEDRM C[C@H](CC(=O)[N-]S(=O)(=O)CCc1ccccc1)c1ccncc1 ZINC000095443257 526196199 /nfs/dbraw/zinc/19/61/99/526196199.db2.gz JBLRBXCGTPEDKP-CQSZACIVSA-N -1 0 332.425 3.104 20 30 EGEDRM O=C([N-]S(=O)(=O)C1CCCC1)c1scnc1C1CCCC1 ZINC000097136965 527160404 /nfs/dbraw/zinc/16/04/04/527160404.db2.gz BKEYVBBXOMVNGG-UHFFFAOYSA-N -1 0 328.459 3.378 20 30 EGEDRM N#CC(=C([O-])c1cc2cccc(F)c2o1)c1nnc2n1CCCCC2 ZINC000123463053 546740381 /nfs/dbraw/zinc/74/03/81/546740381.db2.gz YGUWFPUHTUZWOK-GFCCVEGCSA-N -1 0 338.342 3.380 20 30 EGEDRM CCOc1nc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)co1 ZINC000681356578 549985439 /nfs/dbraw/zinc/98/54/39/549985439.db2.gz FKUOMKIHZSQMSW-VIFPVBQESA-N -1 0 331.328 3.312 20 30 EGEDRM C=C[C@H](CC(=O)N[C@@]1(C(=O)[O-])CCc2ccccc21)c1ccccc1 ZINC000683309669 550216326 /nfs/dbraw/zinc/21/63/26/550216326.db2.gz IDRJTUCKXQCBRL-VFNWGFHPSA-N -1 0 335.403 3.389 20 30 EGEDRM C[C@H](COc1ccccc1C(F)(F)F)[N-]C(=O)C(F)(F)C(F)F ZINC000749356142 574631138 /nfs/dbraw/zinc/63/11/38/574631138.db2.gz ZAKYLRVSBDVWEX-SSDOTTSWSA-N -1 0 347.230 3.489 20 30 EGEDRM COc1cc(/C=C\C(=O)c2ccc(O)c(C)c2)ccc1OCC(=O)[O-] ZINC000728232474 574732331 /nfs/dbraw/zinc/73/23/31/574732331.db2.gz UHOZOGFMBDHIGT-UTCJRWHESA-N -1 0 342.347 3.069 20 30 EGEDRM Cc1ccc2c(Cl)c(C([O-])=C(C#N)C(=O)NC3CC3)sc2c1 ZINC000729187553 574821913 /nfs/dbraw/zinc/82/19/13/574821913.db2.gz DWOOWVSNZQNGFD-LLVKDONJSA-N -1 0 332.812 3.464 20 30 EGEDRM C=CCNC(=O)C(C#N)=C([O-])c1sc2cc(C)ccc2c1Cl ZINC000729188861 574822355 /nfs/dbraw/zinc/82/23/55/574822355.db2.gz RDDAIMUEGXVLEI-NSHDSACASA-N -1 0 332.812 3.488 20 30 EGEDRM C[C@@H](NN=Cc1ccc(OC(F)(F)C(=O)[O-])cc1)c1ccccc1 ZINC000730727881 575013392 /nfs/dbraw/zinc/01/33/92/575013392.db2.gz BFFJACUZBPBKLL-GFCCVEGCSA-N -1 0 334.322 3.428 20 30 EGEDRM COc1ccc(C=NNc2ccc(Cl)cc2)c(OCC(=O)[O-])c1 ZINC000734361388 575479197 /nfs/dbraw/zinc/47/91/97/575479197.db2.gz CFJMTXOEAIUBDJ-UHFFFAOYSA-N -1 0 334.759 3.258 20 30 EGEDRM CC(C)c1nc(-c2nnn[n-]2)c(N=NC2CCC[C@H](C3CC3)C2)o1 ZINC000735938895 575734663 /nfs/dbraw/zinc/73/46/63/575734663.db2.gz GRGXIUCIDCGZOQ-NSHDSACASA-N -1 0 329.408 3.346 20 30 EGEDRM COc1ccnc(C(=O)C(C#N)=C([O-])c2c(C)[nH]c3ccccc32)c1 ZINC000735912363 575735003 /nfs/dbraw/zinc/73/50/03/575735003.db2.gz ZWEKEPARYXORHP-AWEZNQCLSA-N -1 0 333.347 3.085 20 30 EGEDRM C=CCN1C(=O)N[C@H](c2csc(C(C)(C)C)n2)C(C(=O)[O-])=C1C ZINC000736106484 575897047 /nfs/dbraw/zinc/89/70/47/575897047.db2.gz DNHQZGBPRVHCSL-GFCCVEGCSA-N -1 0 335.429 3.052 20 30 EGEDRM C#Cc1cccc(N(Cc2ccco2)C(=O)CCSCC(=O)[O-])c1 ZINC000736090931 575898535 /nfs/dbraw/zinc/89/85/35/575898535.db2.gz LEQOJOHROZMZIB-UHFFFAOYSA-N -1 0 343.404 3.002 20 30 EGEDRM C#Cc1cccc(N(C)CC(=O)Nc2sc(C)c(C)c2C(=O)[O-])c1 ZINC000736091613 575898567 /nfs/dbraw/zinc/89/85/67/575898567.db2.gz ZNFHVNOMXCJVAT-UHFFFAOYSA-N -1 0 342.420 3.119 20 30 EGEDRM C#Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2C(=O)[O-])cn1 ZINC000736093750 575898633 /nfs/dbraw/zinc/89/86/33/575898633.db2.gz ZMDWJJFSSBXJNK-UHFFFAOYSA-N -1 0 334.253 3.032 20 30 EGEDRM C=C(C)CNC(=S)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC000736094287 575898698 /nfs/dbraw/zinc/89/86/98/575898698.db2.gz ADWGFVKYLTVEQR-UHFFFAOYSA-N -1 0 348.346 3.188 20 30 EGEDRM C=CCSCCNC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000736115153 575900742 /nfs/dbraw/zinc/90/07/42/575900742.db2.gz VVPGTWWKAOXPQM-UHFFFAOYSA-N -1 0 346.355 3.027 20 30 EGEDRM CC(C)(C)n1cc(C#N)cc1NC(=O)NCCCCCCC(=O)[O-] ZINC000736306389 575929479 /nfs/dbraw/zinc/92/94/79/575929479.db2.gz QRRIJZOTCQUAGC-UHFFFAOYSA-N -1 0 334.420 3.271 20 30 EGEDRM CC(C)c1ccc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c(O)c1 ZINC000736513910 575975727 /nfs/dbraw/zinc/97/57/27/575975727.db2.gz ZMXDQVMFGLNEQV-QGZVFWFLSA-N -1 0 339.347 3.370 20 30 EGEDRM CC(C)c1ccccc1NC(=S)NN=C1CCN(C(=O)[O-])CC1 ZINC000736523987 575977335 /nfs/dbraw/zinc/97/73/35/575977335.db2.gz WYRQGRVZTFHVIE-UHFFFAOYSA-N -1 0 334.445 3.226 20 30 EGEDRM C[C@@H](CC(=O)[O-])SCC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000736550557 575982749 /nfs/dbraw/zinc/98/27/49/575982749.db2.gz GEOUDVOZYLSQFY-NSHDSACASA-N -1 0 340.832 3.183 20 30 EGEDRM C[C@H](CSCC(=O)N(CCC#N)c1cccc(Cl)c1)C(=O)[O-] ZINC000736616411 575989534 /nfs/dbraw/zinc/98/95/34/575989534.db2.gz KNFPTGDMXFSUGE-LLVKDONJSA-N -1 0 340.832 3.041 20 30 EGEDRM C[C@@H](Oc1ccccc1C#N)c1nc(-c2ccc(C(=O)[O-])cc2)no1 ZINC000736708876 576010739 /nfs/dbraw/zinc/01/07/39/576010739.db2.gz XTCIJHSTIMXHOJ-LLVKDONJSA-N -1 0 335.319 3.446 20 30 EGEDRM CCCOc1ccc(C=NOCc2cc(C(=O)[O-])co2)cc1OC ZINC000737031493 576085078 /nfs/dbraw/zinc/08/50/78/576085078.db2.gz NERADELOISJWHC-UHFFFAOYSA-N -1 0 333.340 3.326 20 30 EGEDRM CCOc1ccc(N(CCC#N)C(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC000737204002 576135675 /nfs/dbraw/zinc/13/56/75/576135675.db2.gz QIFVCTBXDUCPJG-UHFFFAOYSA-N -1 0 338.363 3.344 20 30 EGEDRM CN(C(=O)[O-])c1ccccc1C(=O)OCc1ccc(OCC#N)cc1 ZINC000737335142 576209489 /nfs/dbraw/zinc/20/94/89/576209489.db2.gz CPHPKFHYHMYUNJ-UHFFFAOYSA-N -1 0 340.335 3.060 20 30 EGEDRM CN(Cc1ccc(Nc2ccc(C#N)cc2[N+](=O)[O-])cc1)C(=O)[O-] ZINC000737486167 576237514 /nfs/dbraw/zinc/23/75/14/576237514.db2.gz QIXBYIDJMSHBEU-UHFFFAOYSA-N -1 0 326.312 3.320 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)[C@H](C)Cc1ccc(Cl)cc1Cl ZINC000737527272 576240986 /nfs/dbraw/zinc/24/09/86/576240986.db2.gz IUXCSLATTFKSMK-SNVBAGLBSA-N -1 0 330.211 3.271 20 30 EGEDRM COc1ccc(/C=C(\C(=O)[O-])c2ccncc2)cc1OCCCC#N ZINC000737987417 576278226 /nfs/dbraw/zinc/27/82/26/576278226.db2.gz RUPJIDSRUSEIOI-VBKFSLOCSA-N -1 0 338.363 3.398 20 30 EGEDRM Cc1cccc(N(CCC#N)C(=O)CS[C@H](C)CC(=O)[O-])c1C ZINC000738309789 576312889 /nfs/dbraw/zinc/31/28/89/576312889.db2.gz AHPGFTQENWAEBY-CYBMUJFWSA-N -1 0 334.441 3.147 20 30 EGEDRM N#Cc1ccc(CSCC(=O)Nc2ccccc2CC(=O)[O-])cc1 ZINC000738432667 576325436 /nfs/dbraw/zinc/32/54/36/576325436.db2.gz NWKYZAHCWUHSAE-UHFFFAOYSA-N -1 0 340.404 3.057 20 30 EGEDRM Cc1ccc([C@@H](CNC(=O)Nc2cc(C#N)ccc2C)C(=O)[O-])cc1 ZINC000738559992 576336837 /nfs/dbraw/zinc/33/68/37/576336837.db2.gz IZKCGUUURAJFAM-MRXNPFEDSA-N -1 0 337.379 3.165 20 30 EGEDRM Cc1ccc2cccc(C(=O)O[C@H](C(=O)[O-])c3ccc(C#N)cc3)c2n1 ZINC000738675478 576349589 /nfs/dbraw/zinc/34/95/89/576349589.db2.gz OFXSDOGEWUAQIO-SFHVURJKSA-N -1 0 346.342 3.398 20 30 EGEDRM Cc1csc(C2(N[C@@H](C(=O)[O-])c3ccc(C#N)cc3)CCC2)n1 ZINC000738817236 576363028 /nfs/dbraw/zinc/36/30/28/576363028.db2.gz WVIXTZXJWKRYPL-CQSZACIVSA-N -1 0 327.409 3.118 20 30 EGEDRM N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCCNC(=O)[O-])cc1 ZINC000739075902 576377026 /nfs/dbraw/zinc/37/70/26/576377026.db2.gz VTXJZJHPDJQXQC-KRWDZBQOSA-N -1 0 337.379 3.328 20 30 EGEDRM N#CCOc1ccc(CC(=O)Oc2ccc(Cl)cc2C(=O)[O-])cc1 ZINC000739087718 576377349 /nfs/dbraw/zinc/37/73/49/576377349.db2.gz LWGYJCGJWLFCHV-UHFFFAOYSA-N -1 0 345.738 3.089 20 30 EGEDRM N#CCn1c(C(=O)NC2(C(=O)[O-])CCCCCC2)cc2ccccc21 ZINC000739090984 576377482 /nfs/dbraw/zinc/37/74/82/576377482.db2.gz CSAJNDZUDVNRBK-UHFFFAOYSA-N -1 0 339.395 3.072 20 30 EGEDRM N#Cc1cc(C(=O)[O-])cn(CCCc2cccc3ccccc32)c1=O ZINC000739094030 576377595 /nfs/dbraw/zinc/37/75/95/576377595.db2.gz ZVNIPCHNLDBKAN-UHFFFAOYSA-N -1 0 332.359 3.204 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)CCCOc2ccccc2)C(=O)[O-])cc1 ZINC000739111373 576378467 /nfs/dbraw/zinc/37/84/67/576378467.db2.gz VCQCDXRFBZQMFY-SFHVURJKSA-N -1 0 339.347 3.086 20 30 EGEDRM N#Cc1ccc([C@@H](Nc2ccc3c(c2)CCCC(=O)N3)C(=O)[O-])cc1 ZINC000739112383 576378557 /nfs/dbraw/zinc/37/85/57/576378557.db2.gz ZHWATGVDOWFDFR-GOSISDBHSA-N -1 0 335.363 3.071 20 30 EGEDRM N#Cc1ccc([C@@H](OC(=O)c2cccc(-n3cccc3)c2)C(=O)[O-])cc1 ZINC000739116037 576378865 /nfs/dbraw/zinc/37/88/65/576378865.db2.gz XWIDCIMXAHPTCN-GOSISDBHSA-N -1 0 346.342 3.332 20 30 EGEDRM N#Cc1ccc(Nc2cccc(C(=O)NC3(C(=O)[O-])CCCC3)c2)cc1 ZINC000739120890 576379037 /nfs/dbraw/zinc/37/90/37/576379037.db2.gz GAQWLFLHTFPRSL-UHFFFAOYSA-N -1 0 349.390 3.429 20 30 EGEDRM N#Cc1ccc(SCC(=O)Nc2cccc(F)c2C(=O)[O-])cc1 ZINC000739133025 576379381 /nfs/dbraw/zinc/37/93/81/576379381.db2.gz YLUJDAFHJHJBGC-UHFFFAOYSA-N -1 0 330.340 3.126 20 30 EGEDRM N#Cc1cccnc1NC[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000739142847 576379644 /nfs/dbraw/zinc/37/96/44/576379644.db2.gz RNWYDTIOFFFAPK-GOSISDBHSA-N -1 0 331.375 3.462 20 30 EGEDRM N#Cc1cnc2c(F)ccc(F)c2c1NCc1ccc(C(=O)[O-])cc1 ZINC000739145121 576379762 /nfs/dbraw/zinc/37/97/62/576379762.db2.gz GRHVHPFPKAPFRL-UHFFFAOYSA-N -1 0 339.301 3.117 20 30 EGEDRM N#Cc1ccccc1NC(=S)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000739146381 576379770 /nfs/dbraw/zinc/37/97/70/576379770.db2.gz CKGRQZRQIIYUIT-INIZCTEOSA-N -1 0 339.420 3.451 20 30 EGEDRM N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CSCC(=O)[O-])cc1 ZINC000740308826 576575971 /nfs/dbraw/zinc/57/59/71/576575971.db2.gz CNCPJCBKLMVVKY-INIZCTEOSA-N -1 0 340.404 3.098 20 30 EGEDRM COCc1ccc(/C=C\C(=O)c2ccc(OC)c(CC(=O)[O-])c2)cc1 ZINC000741849158 576727395 /nfs/dbraw/zinc/72/73/95/576727395.db2.gz ULDULYJCSDIXCG-CLFYSBASSA-N -1 0 340.375 3.365 20 30 EGEDRM O=C([O-])C(F)(F)Oc1ccc(/C=C2\Oc3ccccc3C2=O)cc1 ZINC000742437981 576784344 /nfs/dbraw/zinc/78/43/44/576784344.db2.gz YLBUJYWQGHFPKY-ZROIWOOFSA-N -1 0 332.258 3.359 20 30 EGEDRM CCOc1cccc(C(=O)/C=C/c2ccc(OCC(=O)[O-])cc2)c1 ZINC000743539108 576811487 /nfs/dbraw/zinc/81/14/87/576811487.db2.gz UFKUPKNSXDADJQ-DHZHZOJOSA-N -1 0 326.348 3.445 20 30 EGEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1ccc(OC2CCC2)cc1 ZINC000744026976 576819135 /nfs/dbraw/zinc/81/91/35/576819135.db2.gz CTXAVLJFSSJZIG-LJQANCHMSA-N -1 0 348.402 3.257 20 30 EGEDRM N#Cc1cnc2c(F)ccc(F)c2c1N1CCC[C@H](CC(=O)[O-])C1 ZINC000819111603 597051670 /nfs/dbraw/zinc/05/16/70/597051670.db2.gz ZLODXPSBQPYNAB-SNVBAGLBSA-N -1 0 331.322 3.076 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(COc2ccccc2)cc1 ZINC000819846945 597608926 /nfs/dbraw/zinc/60/89/26/597608926.db2.gz INRUESBGCADHIO-LJQANCHMSA-N -1 0 338.363 3.209 20 30 EGEDRM N#Cc1cc(Cl)c(C(=O)NCCCCCC(=O)[O-])c(Cl)c1 ZINC000821329759 597671297 /nfs/dbraw/zinc/67/12/97/597671297.db2.gz KJIBYIWUFSGZLF-UHFFFAOYSA-N -1 0 329.183 3.240 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)OCc1cccc(SC(F)(F)F)c1 ZINC000819875227 597672895 /nfs/dbraw/zinc/67/28/95/597672895.db2.gz VSUYADFXYDBMQE-ZDUSSCGKSA-N -1 0 347.314 3.346 20 30 EGEDRM N#Cc1ccc(CN(C(=O)Nc2ccccc2C(=O)[O-])C2CC2)cc1 ZINC000821329760 598177523 /nfs/dbraw/zinc/17/75/23/598177523.db2.gz KPNYZEUMGOEWGX-UHFFFAOYSA-N -1 0 335.363 3.453 20 30 EGEDRM COc1cc(F)c(C(=O)/C=C/c2cccc(C(=O)[O-])c2)cc1OC ZINC000774135394 598201696 /nfs/dbraw/zinc/20/16/96/598201696.db2.gz JVQKZVVNAQUHIS-VOTSOKGWSA-N -1 0 330.311 3.437 20 30 EGEDRM N#Cc1ccccc1Oc1ccccc1C(=O)NCCCCC(=O)[O-] ZINC000821340423 598208195 /nfs/dbraw/zinc/20/81/95/598208195.db2.gz HWVYLJFKAVTGAY-UHFFFAOYSA-N -1 0 338.363 3.335 20 30 EGEDRM CCOc1cccc2cc([C@@H](C)NC(=O)[C@](C)(C#N)CC(=O)[O-])oc21 ZINC000820391680 598222958 /nfs/dbraw/zinc/22/29/58/598222958.db2.gz GWYOPTTXHDZUJT-ZMZPIMSZSA-N -1 0 344.367 3.013 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1cccc(COC2CCCCC2)c1 ZINC000819856619 598225566 /nfs/dbraw/zinc/22/55/66/598225566.db2.gz LDUZVEFCFWYDKU-IBGZPJMESA-N -1 0 344.411 3.479 20 30 EGEDRM C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000820107302 598226144 /nfs/dbraw/zinc/22/61/44/598226144.db2.gz GPFDKTAJDMZKRG-VFZGTOFNSA-N -1 0 343.210 3.045 20 30 EGEDRM C[C@@H](CNC(=O)[C@](C)(C#N)CC(=O)[O-])c1c(Cl)cccc1Cl ZINC000820101627 598226302 /nfs/dbraw/zinc/22/63/02/598226302.db2.gz ABGKNWPVQPSIEF-VFZGTOFNSA-N -1 0 343.210 3.218 20 30 EGEDRM C[C@@H](C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1cccc(F)c1 ZINC000826061384 600705875 /nfs/dbraw/zinc/70/58/75/600705875.db2.gz PQDBUGODDBSBHI-BDJLRTHQSA-N -1 0 327.311 3.170 20 30 EGEDRM C=CCOc1ccc(OS(=O)(=O)c2ccc(C(=O)[O-])cc2C)cc1 ZINC000825698872 600794227 /nfs/dbraw/zinc/79/42/27/600794227.db2.gz OISYRNULWUHQHB-UHFFFAOYSA-N -1 0 348.376 3.026 20 30 EGEDRM C[C@@H](NC(=O)Nc1ccc(C(=O)[O-])cc1F)c1cccc(C#N)c1 ZINC000820129136 601044617 /nfs/dbraw/zinc/04/46/17/601044617.db2.gz GTYHAKVIXGSGSH-SNVBAGLBSA-N -1 0 327.315 3.278 20 30 EGEDRM Cc1ccc(NC(=O)NCc2ccc(C#N)cc2F)cc1C(=O)[O-] ZINC000832946941 601143734 /nfs/dbraw/zinc/14/37/34/601143734.db2.gz MWTLZGVTCXGDDS-UHFFFAOYSA-N -1 0 327.315 3.026 20 30 EGEDRM C=CCOc1ccc(C(=O)N(CC(=O)[O-])c2cccc(F)c2)cc1 ZINC000825699045 601145510 /nfs/dbraw/zinc/14/55/10/601145510.db2.gz QYNDOSNVEJBVMK-UHFFFAOYSA-N -1 0 329.327 3.122 20 30 EGEDRM CC(C)c1csc([C@H](C#N)C(=O)c2ccc(OCC(=O)[O-])cc2)n1 ZINC000827140103 601194439 /nfs/dbraw/zinc/19/44/39/601194439.db2.gz YMZGAPBQOLZNPG-CYBMUJFWSA-N -1 0 344.392 3.220 20 30 EGEDRM CCOC(=O)Nc1ccc(N[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000829865910 601300847 /nfs/dbraw/zinc/30/08/47/601300847.db2.gz LSWUOJXJNBFGRP-MRXNPFEDSA-N -1 0 339.351 3.364 20 30 EGEDRM N#Cc1cccc([C@H](Nc2ccc3c(c2)CCCC(=O)N3)C(=O)[O-])c1 ZINC000833075855 601304563 /nfs/dbraw/zinc/30/45/63/601304563.db2.gz NPKVPWAHPYQTGC-SFHVURJKSA-N -1 0 335.363 3.071 20 30 EGEDRM N#CC1(c2nc(COc3cccc(C(=O)[O-])c3)no2)CCCCC1 ZINC000833065135 601403623 /nfs/dbraw/zinc/40/36/23/601403623.db2.gz SQOPJIGFSAZNKW-UHFFFAOYSA-N -1 0 327.340 3.072 20 30 EGEDRM COc1ccc([C@H](NCC#Cc2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC000832244505 601418773 /nfs/dbraw/zinc/41/87/73/601418773.db2.gz CYNPZFKVFPJAMI-KRWDZBQOSA-N -1 0 329.783 3.116 20 30 EGEDRM C=CCN(CCc1ccccc1)C(=O)NCC1(C(=O)[O-])CCCC1 ZINC000825682199 601424603 /nfs/dbraw/zinc/42/46/03/601424603.db2.gz SQSQDOLDYOFYSI-UHFFFAOYSA-N -1 0 330.428 3.072 20 30 EGEDRM COC(=O)c1cc(NCC#Cc2ccc(Cl)cc2)ccc1C(=O)[O-] ZINC000831316171 601578903 /nfs/dbraw/zinc/57/89/03/601578903.db2.gz RVQOTBQORWGIKJ-UHFFFAOYSA-N -1 0 343.766 3.288 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)[C@H]2C[C@@H]2Cc2ccccc2)C(=O)[O-])cc1 ZINC000833073080 601604695 /nfs/dbraw/zinc/60/46/95/601604695.db2.gz VIMGBVFJVZPRID-BZSNNMDCSA-N -1 0 335.359 3.106 20 30 EGEDRM N#Cc1cc(F)c(C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)c(F)c1 ZINC000833068860 601675591 /nfs/dbraw/zinc/67/55/91/601675591.db2.gz OHVMKBPQVDASRR-HNNXBMFYSA-N -1 0 344.317 3.172 20 30 EGEDRM O=C([O-])c1cc(/C=C/C(=O)c2sccc2Br)c[nH]1 ZINC000833298487 601792538 /nfs/dbraw/zinc/79/25/38/601792538.db2.gz WKMANHSRZIZODU-OWOJBTEDSA-N -1 0 326.171 3.433 20 30 EGEDRM Cc1nn(-c2ccccc2)c(C)c1C(=O)/C=C/c1c[nH]c(C(=O)[O-])c1 ZINC000833011821 601793121 /nfs/dbraw/zinc/79/31/21/601793121.db2.gz QEUVVHSTXJSFRF-CMDGGOBGSA-N -1 0 335.363 3.412 20 30 EGEDRM N#CCCN(C(=O)CNc1cccc(NC(=O)[O-])c1)c1ccccc1 ZINC000833065598 601908562 /nfs/dbraw/zinc/90/85/62/601908562.db2.gz HOBQITFWGGLZGV-UHFFFAOYSA-N -1 0 338.367 3.135 20 30 EGEDRM N#Cc1ccccc1/C=C\C(=O)N[C@@H]1CCCCCC[C@H]1C(=O)[O-] ZINC000833075776 601912657 /nfs/dbraw/zinc/91/26/57/601912657.db2.gz WNHKXVXVZYKLLH-XMNQGQKYSA-N -1 0 326.396 3.111 20 30 EGEDRM CON=Cc1ccc(C(=O)Oc2ccc(SCC(=O)[O-])cc2)cc1 ZINC000831841973 601998333 /nfs/dbraw/zinc/99/83/33/601998333.db2.gz ZMZXQCWFABAADH-UHFFFAOYSA-N -1 0 345.376 3.063 20 30 EGEDRM N#CCn1c(C(=O)OCc2ccc(C(=O)[O-])s2)cc2ccccc21 ZINC000833069367 602008599 /nfs/dbraw/zinc/00/85/99/602008599.db2.gz UUSWIKOIHSSNTA-UHFFFAOYSA-N -1 0 340.360 3.282 20 30 EGEDRM N#Cc1cc(C(F)(F)F)ccc1C(=O)OCc1cc(C(=O)[O-])co1 ZINC000833068547 602015958 /nfs/dbraw/zinc/01/59/58/602015958.db2.gz BLPXFFGUXUMNQA-UHFFFAOYSA-N -1 0 339.225 3.225 20 30 EGEDRM N#CCOc1cccc(NC(=O)N[C@@H]2CCCCCC[C@H]2C(=O)[O-])c1 ZINC000833067688 602033727 /nfs/dbraw/zinc/03/37/27/602033727.db2.gz HQOBFGLDODTZCJ-HZPDHXFCSA-N -1 0 345.399 3.134 20 30 EGEDRM N#CCOc1cccc(NC(=O)N[C@H]2CCCCCC[C@H]2C(=O)[O-])c1 ZINC000833067682 602033819 /nfs/dbraw/zinc/03/38/19/602033819.db2.gz HQOBFGLDODTZCJ-CVEARBPZSA-N -1 0 345.399 3.134 20 30 EGEDRM N#Cc1c[nH]c(C(=O)O[C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)c1 ZINC000833067466 602089367 /nfs/dbraw/zinc/08/93/67/602089367.db2.gz DMBRSDMKOREBRX-GFCCVEGCSA-N -1 0 339.134 3.176 20 30 EGEDRM N#Cc1ccc(-c2nnc(CNc3ccc(CCC(=O)[O-])cc3)o2)cc1 ZINC000833070634 602129184 /nfs/dbraw/zinc/12/91/84/602129184.db2.gz PHQSDIHJMRUQHX-UHFFFAOYSA-N -1 0 348.362 3.238 20 30 EGEDRM N#Cc1cccc(S[C@H]2CCN(c3sccc3C(=O)[O-])C2=O)c1 ZINC000833075009 602290500 /nfs/dbraw/zinc/29/05/00/602290500.db2.gz IWCUMDPPKJRSKG-ZDUSSCGKSA-N -1 0 344.417 3.216 20 30 EGEDRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1cccc(CC#N)c1 ZINC000829028005 604428210 /nfs/dbraw/zinc/42/82/10/604428210.db2.gz QTLOUAPLXYWXPP-SFHVURJKSA-N -1 0 336.391 3.431 20 30 EGEDRM C=CCNc1ncc(C(=O)OCc2cc(C(=O)[O-])sc2C)s1 ZINC000825692063 604432839 /nfs/dbraw/zinc/43/28/39/604432839.db2.gz GVFICWPTZSSENQ-UHFFFAOYSA-N -1 0 338.410 3.166 20 30 EGEDRM COc1ccc2[nH]c(SCc3cccc(C(=O)[O-])c3C#N)nc2c1 ZINC000833735153 604550811 /nfs/dbraw/zinc/55/08/11/604550811.db2.gz RZWJZZVWIGGVIH-UHFFFAOYSA-N -1 0 339.376 3.434 20 30 EGEDRM Cc1c(C#N)cccc1NC(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000832850044 604555770 /nfs/dbraw/zinc/55/57/70/604555770.db2.gz YUVSPRZRQRWNGY-MRXNPFEDSA-N -1 0 341.342 3.343 20 30 EGEDRM CC(C)(C(=O)OCc1cccc(C(=O)[O-])c1C#N)c1cccc(F)c1 ZINC000833419357 604582224 /nfs/dbraw/zinc/58/22/24/604582224.db2.gz RQUCQZDINLNUNT-UHFFFAOYSA-N -1 0 341.338 3.417 20 30 EGEDRM CC(C)(C(=O)OCc1cccc(C(=O)[O-])c1C#N)c1ccccc1F ZINC000833419341 604582289 /nfs/dbraw/zinc/58/22/89/604582289.db2.gz REQJDJBCEIJQRW-UHFFFAOYSA-N -1 0 341.338 3.417 20 30 EGEDRM CC(C)Oc1ccc(NC(=O)c2ccc(C(=O)[O-])c(F)c2)cc1C#N ZINC000827058837 604588689 /nfs/dbraw/zinc/58/86/89/604588689.db2.gz ZLTIHQCPFGONTI-UHFFFAOYSA-N -1 0 342.326 3.435 20 30 EGEDRM CN(Cc1ccc(C#N)s1)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000833696925 604676420 /nfs/dbraw/zinc/67/64/20/604676420.db2.gz YALMZHZVOBWFDD-CQSZACIVSA-N -1 0 340.326 3.295 20 30 EGEDRM C#CCOc1ccccc1[C@@H](C)OC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000825631982 604882723 /nfs/dbraw/zinc/88/27/23/604882723.db2.gz PMUVLDQZASVGOD-GFCCVEGCSA-N -1 0 342.322 3.454 20 30 EGEDRM C=CCc1ccccc1OS(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000833379545 605013731 /nfs/dbraw/zinc/01/37/31/605013731.db2.gz FVRYCFCDLMNMGJ-UHFFFAOYSA-N -1 0 336.340 3.020 20 30 EGEDRM C=CCCC[C@H](C)NC(=O)Nc1ccc(C(=O)[O-])c(C(=O)OC)c1 ZINC000833374372 605077075 /nfs/dbraw/zinc/07/70/75/605077075.db2.gz YSKPAXOJFDVRNJ-NSHDSACASA-N -1 0 334.372 3.038 20 30 EGEDRM CC(C)N(Cc1ccc(C#N)cc1)C(=O)C1CCC(C(=O)[O-])CC1 ZINC000833496753 605084357 /nfs/dbraw/zinc/08/43/57/605084357.db2.gz RSWWTDHALCQWIG-UHFFFAOYSA-N -1 0 328.412 3.186 20 30 EGEDRM N#CCCCOc1cccc(NC(=O)C2CCC(C(=O)[O-])CC2)c1 ZINC000833760197 605102836 /nfs/dbraw/zinc/10/28/36/605102836.db2.gz KCNOJXQXBXTRKC-UHFFFAOYSA-N -1 0 330.384 3.199 20 30 EGEDRM C=CCc1ccccc1OS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000833379906 605197339 /nfs/dbraw/zinc/19/73/39/605197339.db2.gz PNCLYLGHIWODAC-UHFFFAOYSA-N -1 0 336.340 3.020 20 30 EGEDRM N#Cc1c2c(sc1NC(=O)CC1(C(=O)[O-])CCCCC1)CCC2 ZINC000016482403 1291174544 /nfs/dbraw/zinc/17/45/44/1291174544.db2.gz GPUJFHHTLYTCQS-UHFFFAOYSA-N -1 0 332.425 3.472 20 30 EGEDRM Cc1ccc(C(=O)[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cc1C ZINC000042340100 1291441235 /nfs/dbraw/zinc/44/12/35/1291441235.db2.gz JFTBEMZVCDWFSF-UHFFFAOYSA-N -1 0 348.380 3.046 20 30 EGEDRM CCCCS(=O)(=O)[N-]C(=O)Cc1nc(-c2ccccc2)oc1C ZINC000042344186 1291441812 /nfs/dbraw/zinc/44/18/12/1291441812.db2.gz VLAFSPZVVJEHHT-UHFFFAOYSA-N -1 0 336.413 3.279 20 30 EGEDRM Cc1cccc(OCC(=O)[N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000046928792 1291557694 /nfs/dbraw/zinc/55/76/94/1291557694.db2.gz BLFBSVULLVYFCV-UHFFFAOYSA-N -1 0 345.829 3.434 20 30 EGEDRM Cc1noc(C)c1C(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000048407750 1291603485 /nfs/dbraw/zinc/60/34/85/1291603485.db2.gz GBKJXEMKWQRELU-UHFFFAOYSA-N -1 0 330.365 3.138 20 30 EGEDRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)Cc1ccc2ccccc2c1 ZINC000048490736 1291607523 /nfs/dbraw/zinc/60/75/23/1291607523.db2.gz PYVLKHUBSPOJDM-UHFFFAOYSA-N -1 0 344.392 3.333 20 30 EGEDRM O=C(Cc1ccc2ccccc2c1)[N-]S(=O)(=O)c1cccnc1 ZINC000048532042 1291610322 /nfs/dbraw/zinc/61/03/22/1291610322.db2.gz XXCKZIAMAWXTQN-UHFFFAOYSA-N -1 0 326.377 3.123 20 30 EGEDRM CC(=O)c1cccc(S(=O)(=O)[N-]C(=O)c2c(C)oc(C)c2C)c1 ZINC000048560550 1291611118 /nfs/dbraw/zinc/61/11/18/1291611118.db2.gz NVUWBPCIQQEFGI-UHFFFAOYSA-N -1 0 335.381 3.101 20 30 EGEDRM O=C(Cc1ccccc1Cl)[N-]S(=O)(=O)c1ccccc1F ZINC000048587656 1291612233 /nfs/dbraw/zinc/61/22/33/1291612233.db2.gz UQISXUPQLRMCQA-UHFFFAOYSA-N -1 0 327.764 3.367 20 30 EGEDRM O=C([N-]S(=O)(=O)c1ccccc1F)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000048592524 1291612664 /nfs/dbraw/zinc/61/26/64/1291612664.db2.gz JBPOOBOUGRMUPT-STQMWFEESA-N -1 0 337.347 3.414 20 30 EGEDRM CC(C)S(=O)(=O)[N-]C(=O)c1cc2cc(Br)ccc2o1 ZINC000049417532 1291628486 /nfs/dbraw/zinc/62/84/86/1291628486.db2.gz PXERZKFLHBFPDG-UHFFFAOYSA-N -1 0 346.202 3.238 20 30 EGEDRM O=C([N-]S(=O)(=O)N1CCCCC1)c1cc(Cl)sc1Cl ZINC000052796320 1291712806 /nfs/dbraw/zinc/71/28/06/1291712806.db2.gz WUJCWMFAOKUECQ-UHFFFAOYSA-N -1 0 343.257 3.090 20 30 EGEDRM Cc1oc(C)c(C(=O)[N-]S(=O)(=O)Cc2ccc(Cl)nc2)c1C ZINC000058151738 1291881442 /nfs/dbraw/zinc/88/14/42/1291881442.db2.gz QSYFMTQBKYLCII-UHFFFAOYSA-N -1 0 342.804 3.088 20 30 EGEDRM CC(C)CCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000069282948 1292237657 /nfs/dbraw/zinc/23/76/57/1292237657.db2.gz DVHULCWYVFASSB-NSHDSACASA-N -1 0 333.837 3.436 20 30 EGEDRM C=CCCC(=O)[N-]S(=O)(=O)c1cc(Br)ccc1C ZINC000073086976 1292305228 /nfs/dbraw/zinc/30/52/28/1292305228.db2.gz SKVFRQSFJIWPKU-UHFFFAOYSA-N -1 0 332.219 3.369 20 30 EGEDRM O=C(CCc1cscn1)[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000073086987 1292305388 /nfs/dbraw/zinc/30/53/88/1292305388.db2.gz IZQFSMYIJKGODZ-UHFFFAOYSA-N -1 0 330.818 3.075 20 30 EGEDRM O=C(COCC1CC1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000075778090 1292410759 /nfs/dbraw/zinc/41/07/59/1292410759.db2.gz ZRPPNLNZRVUVQS-UHFFFAOYSA-N -1 0 338.212 3.065 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)CCC(=O)c2ccccc2)cc1 ZINC000076756053 1292440282 /nfs/dbraw/zinc/44/02/82/1292440282.db2.gz JIZUMTSQGCHZCR-UHFFFAOYSA-N -1 0 331.393 3.303 20 30 EGEDRM CC(=O)Nc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@H](C)C2)cc1 ZINC000076755990 1292440313 /nfs/dbraw/zinc/44/03/13/1292440313.db2.gz NKFNJLOYPAAGDJ-WCQYABFASA-N -1 0 338.429 3.117 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]C(=O)CCc2ccco2)c(F)cc1F ZINC000086067971 1292728865 /nfs/dbraw/zinc/72/88/65/1292728865.db2.gz IHZUFKVCKKEGAL-UHFFFAOYSA-N -1 0 329.324 3.144 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)Cc2ccc(F)cc2F)cc1 ZINC000088799551 1292756363 /nfs/dbraw/zinc/75/63/63/1292756363.db2.gz GKMPBYONZOUFGK-UHFFFAOYSA-N -1 0 325.336 3.161 20 30 EGEDRM CCC[C@H](C)CS(=O)(=O)[N-]C(=O)c1cnc([C@H]2CCCO2)s1 ZINC000089970597 1292782530 /nfs/dbraw/zinc/78/25/30/1292782530.db2.gz YEONDEJDLUITED-WDEREUQCSA-N -1 0 346.474 3.065 20 30 EGEDRM CC=C(C)C(=O)[N-]S(=O)(=O)c1cc(OC)ccc1Br ZINC000089982233 1292783497 /nfs/dbraw/zinc/78/34/97/1292783497.db2.gz BWDQBUNETBFJHM-XBXARRHUSA-N -1 0 348.218 3.069 20 30 EGEDRM O=C(Cc1cccc(F)c1)[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000091125419 1292820645 /nfs/dbraw/zinc/82/06/45/1292820645.db2.gz PNFKUAWTGDGQSS-UHFFFAOYSA-N -1 0 349.383 3.039 20 30 EGEDRM Cc1cscc1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000091125704 1292820757 /nfs/dbraw/zinc/82/07/57/1292820757.db2.gz RHCMDDNFVYTXRV-UHFFFAOYSA-N -1 0 337.422 3.075 20 30 EGEDRM Cc1cc(C(=O)[N-]S(=O)(=O)c2ccc(OC(C)C)cc2)c(C)o1 ZINC000091127378 1292823202 /nfs/dbraw/zinc/82/32/02/1292823202.db2.gz NUKDLFRKZLSZQR-UHFFFAOYSA-N -1 0 337.397 3.377 20 30 EGEDRM N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)=C([O-])c1cscn1 ZINC000103330319 1293001742 /nfs/dbraw/zinc/00/17/42/1293001742.db2.gz HZRLAODURNQGPU-SNVBAGLBSA-N -1 0 340.191 3.411 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2cccc(Cl)c2Cl)C(=O)O1 ZINC000107976668 1293073685 /nfs/dbraw/zinc/07/36/85/1293073685.db2.gz HBMSTBYEEFSHPA-CFHLNLSMSA-N -1 0 325.147 3.222 20 30 EGEDRM CC(=NN[C@@H](C)C(F)(F)F)c1cc(Br)ccc1O ZINC000834995406 1293183949 /nfs/dbraw/zinc/18/39/49/1293183949.db2.gz DPWWNRPIKCDBDZ-ZETCQYMHSA-N -1 0 325.128 3.419 20 30 EGEDRM Cc1noc(C2CCC(N=Nc3ccc(C(=O)[O-])c(F)c3)CC2)n1 ZINC000835008625 1293186558 /nfs/dbraw/zinc/18/65/58/1293186558.db2.gz ICQBOXUJIGLVFV-UHFFFAOYSA-N -1 0 332.335 3.341 20 30 EGEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1cc(Cl)cc(Cl)c1 ZINC000119694529 1293283500 /nfs/dbraw/zinc/28/35/00/1293283500.db2.gz KYBONZAAYWSRDW-ZDUSSCGKSA-N -1 0 325.195 3.375 20 30 EGEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1csc(-c2ccccc2)n1 ZINC000119781489 1293287473 /nfs/dbraw/zinc/28/74/73/1293287473.db2.gz USMGUZTUJMDINP-CQSZACIVSA-N -1 0 339.420 3.191 20 30 EGEDRM N#CC(C(=O)NC1CC1)=C([O-])c1ccc(OCC2CCCCC2)cc1 ZINC000121332253 1293366271 /nfs/dbraw/zinc/36/62/71/1293366271.db2.gz XHYQEMKWVVFGJJ-SFHVURJKSA-N -1 0 340.423 3.247 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1coc(-c2ccccc2)n1 ZINC000121608482 1293380389 /nfs/dbraw/zinc/38/03/89/1293380389.db2.gz CBCRHONWIZDKRF-OAHLLOKOSA-N -1 0 339.395 3.361 20 30 EGEDRM C=CCO[N-]C(=O)C(=O)Nc1cc(Cl)ccc1SC(C)C ZINC000835971428 1293412974 /nfs/dbraw/zinc/41/29/74/1293412974.db2.gz JSKHXNHFZDZIEF-UHFFFAOYSA-N -1 0 328.821 3.013 20 30 EGEDRM C[C@@H](Sc1ccc(Cl)cc1)C(=O)C(C#N)=C([O-])c1nccn1C ZINC000123288170 1293439821 /nfs/dbraw/zinc/43/98/21/1293439821.db2.gz ASHZSFFRKKUXSK-MFKMUULPSA-N -1 0 347.827 3.146 20 30 EGEDRM C=CCNC(=O)C(C#N)=C([O-])c1cncc(-c2ccc(Cl)cc2)c1 ZINC000124552152 1293479125 /nfs/dbraw/zinc/47/91/25/1293479125.db2.gz YPPLUBALIFYWAP-INIZCTEOSA-N -1 0 339.782 3.027 20 30 EGEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1ccc(C(F)(F)F)cc1 ZINC000126617429 1293539575 /nfs/dbraw/zinc/53/95/75/1293539575.db2.gz VFKDSYHXGIDCGQ-HNNXBMFYSA-N -1 0 346.308 3.344 20 30 EGEDRM N#CC(C(=O)NC1CC1)=C([O-])c1csc(-c2cccc(Cl)c2)n1 ZINC000129441822 1293623723 /nfs/dbraw/zinc/62/37/23/1293623723.db2.gz IRPHXCASULXQCZ-GFCCVEGCSA-N -1 0 345.811 3.065 20 30 EGEDRM C=C[C@@H](CC(=O)[N-]S(=O)(=O)c1cc(C)cc(F)c1)c1ccccc1 ZINC000133405617 1293743964 /nfs/dbraw/zinc/74/39/64/1293743964.db2.gz KOSABBKXZIWWRS-AWEZNQCLSA-N -1 0 347.411 3.299 20 30 EGEDRM CNC(=O)C(C#N)=C([O-])c1cc(C)n(-c2cccc(C(C)C)c2)c1C ZINC000133526107 1293747478 /nfs/dbraw/zinc/74/74/78/1293747478.db2.gz AKBRRMQBZXUQGN-GOSISDBHSA-N -1 0 337.423 3.286 20 30 EGEDRM C=C[C@@H](CC(=O)[N-]S(=O)(=O)c1cc(C)ccc1C)c1ccccc1 ZINC000135998429 1293806492 /nfs/dbraw/zinc/80/64/92/1293806492.db2.gz BDPIWJLKCZEIBY-INIZCTEOSA-N -1 0 343.448 3.468 20 30 EGEDRM C=C[C@H](CC(=O)[N-]S(=O)(=O)c1cc(C)ccc1C)c1ccccc1 ZINC000135998398 1293806504 /nfs/dbraw/zinc/80/65/04/1293806504.db2.gz BDPIWJLKCZEIBY-MRXNPFEDSA-N -1 0 343.448 3.468 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)CCCOc2ccc(F)cc2F)c1 ZINC000176400255 1294604404 /nfs/dbraw/zinc/60/44/04/1294604404.db2.gz KIPOSQYWUIWMLM-UHFFFAOYSA-N -1 0 332.306 3.340 20 30 EGEDRM C=CCCCC(=O)[N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000176574083 1294614847 /nfs/dbraw/zinc/61/48/47/1294614847.db2.gz NZEYAQZSYNQZSO-UHFFFAOYSA-N -1 0 339.310 3.006 20 30 EGEDRM CC(C)c1[nH]nc(C(=O)Nc2cc(C#N)ccc2[O-])c1Br ZINC000176815359 1294633585 /nfs/dbraw/zinc/63/35/85/1294633585.db2.gz KYTPUFLTZQXJMI-UHFFFAOYSA-N -1 0 349.188 3.125 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2)c1 ZINC000176827448 1294636137 /nfs/dbraw/zinc/63/61/37/1294636137.db2.gz IBDSSLWMKMQUJK-UHFFFAOYSA-N -1 0 338.754 3.355 20 30 EGEDRM COc1ccc2c(c1)C(=O)/C(=C/c1cccc(O[C@H](C)C(=O)[O-])c1)C2 ZINC000176937958 1294645172 /nfs/dbraw/zinc/64/51/72/1294645172.db2.gz FDIMHZVLLOEXMQ-AZZDOICSSA-N -1 0 338.359 3.370 20 30 EGEDRM CC(=CC(=O)C(C#N)=C([O-])c1nccn1C)c1cccc(Cl)c1 ZINC000178475979 1294736392 /nfs/dbraw/zinc/73/63/92/1294736392.db2.gz HQXXMEDCKLGRDO-BMGYJQCNSA-N -1 0 327.771 3.069 20 30 EGEDRM C=C[C@H](CC(=O)[N-]S(=O)(=O)CCc1ccccc1)c1ccccc1 ZINC000179047298 1294770299 /nfs/dbraw/zinc/77/02/99/1294770299.db2.gz LIMDYOMYIQZCTD-QGZVFWFLSA-N -1 0 343.448 3.035 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cnc2ccc(F)cc2c1 ZINC000179604618 1294807734 /nfs/dbraw/zinc/80/77/34/1294807734.db2.gz KKOLAXINRNRRIK-HNNXBMFYSA-N -1 0 327.359 3.003 20 30 EGEDRM COc1c(C)cc(C([O-])=C(C#N)C(=O)NC2CCCCC2)cc1C ZINC000180736647 1294913038 /nfs/dbraw/zinc/91/30/38/1294913038.db2.gz SGXOCNOYLFGJIX-MRXNPFEDSA-N -1 0 328.412 3.083 20 30 EGEDRM C[C@H](C#N)Oc1ccccc1NC(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000183102697 1295097944 /nfs/dbraw/zinc/09/79/44/1295097944.db2.gz OOMDHMZFIKWCHP-CYBMUJFWSA-N -1 0 348.362 3.121 20 30 EGEDRM C[C@@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000183133253 1295101320 /nfs/dbraw/zinc/10/13/20/1295101320.db2.gz DWBXKKHTGSTJHI-JTQLQIEISA-N -1 0 338.335 3.056 20 30 EGEDRM Cc1cccc(F)c1S(=O)(=O)[N-]c1ccccc1O[C@@H](C)C#N ZINC000187043308 1295363538 /nfs/dbraw/zinc/36/35/38/1295363538.db2.gz VKXPHAOJCNKGFO-LBPRGKRZSA-N -1 0 334.372 3.226 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cc(Br)cs1 ZINC000194587157 1295991924 /nfs/dbraw/zinc/99/19/24/1295991924.db2.gz JMSBBOWWZSKIQP-JTQLQIEISA-N -1 0 343.246 3.139 20 30 EGEDRM COc1ccc(C(=O)/C=C\c2cccc(O[C@H](C)C(=O)[O-])c2)cc1 ZINC000208114786 1296097590 /nfs/dbraw/zinc/09/75/90/1296097590.db2.gz FLZYNMXHBKCGGT-TUOYRWMMSA-N -1 0 326.348 3.443 20 30 EGEDRM C#CCOc1ccc(NC(=O)CC2(C(=O)[O-])CCCCCC2)cc1 ZINC000238069833 1296277768 /nfs/dbraw/zinc/27/77/68/1296277768.db2.gz QWFDFYKVIKDTIL-UHFFFAOYSA-N -1 0 329.396 3.452 20 30 EGEDRM COCCOc1ccccc1/C=C\C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000255077055 1296496635 /nfs/dbraw/zinc/49/66/35/1296496635.db2.gz GZWDSRFOSAOWOA-VURMDHGXSA-N -1 0 343.335 3.222 20 30 EGEDRM COc1ccc2c(c1)C(=O)/C(=C/c1ccc([N+](=O)[O-])c([O-])c1)CCO2 ZINC000255288743 1296515347 /nfs/dbraw/zinc/51/53/47/1296515347.db2.gz ZAZOUGXGYWSQPK-XYOKQWHBSA-N -1 0 341.319 3.358 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2cc(F)cc(C(F)(F)F)c2)C(=O)O1 ZINC000255293465 1296515839 /nfs/dbraw/zinc/51/58/39/1296515839.db2.gz ZVAXSHADVAAWHR-PYLYLYNFSA-N -1 0 342.244 3.073 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2cnc(-c3cccs3)s2)C(=O)O1 ZINC000255505338 1296539713 /nfs/dbraw/zinc/53/97/13/1296539713.db2.gz SBZAGNZPEIEMIL-ZRUQZJFASA-N -1 0 345.401 3.100 20 30 EGEDRM CC(=O)Nc1cccc(C(=O)/C=C\c2ccc([N+](=O)[O-])c([O-])c2)c1 ZINC000255628829 1296555807 /nfs/dbraw/zinc/55/58/07/1296555807.db2.gz PNAYYYWCKZMWGJ-VURMDHGXSA-N -1 0 326.308 3.155 20 30 EGEDRM COc1cc(/C=C\C(=O)c2ccc([O-])c(F)c2)c([N+](=O)[O-])cc1OC ZINC000255899232 1296577413 /nfs/dbraw/zinc/57/74/13/1296577413.db2.gz XNPALPFUIYPLTC-HYXAFXHYSA-N -1 0 347.298 3.353 20 30 EGEDRM C=CCC[C@H](NC(=O)[C@@H](C)Oc1cccc(Cl)c1Cl)C(=O)[O-] ZINC000263001469 1296656272 /nfs/dbraw/zinc/65/62/72/1296656272.db2.gz WJGWBEBMYUHZIP-KOLCDFICSA-N -1 0 346.210 3.296 20 30 EGEDRM COc1cccc2c1OCCCC2=NNc1ccc(CC(=O)[O-])cc1 ZINC000872387083 1296931639 /nfs/dbraw/zinc/93/16/39/1296931639.db2.gz KYAZNWOXRWNVHZ-UHFFFAOYSA-N -1 0 340.379 3.311 20 30 EGEDRM O=C(/C=C\c1ccc([O-])c([N+](=O)[O-])c1)c1cnn(-c2ccccc2)c1 ZINC000746348263 1298573822 /nfs/dbraw/zinc/57/38/22/1298573822.db2.gz OEXIUISDLRUDKP-VURMDHGXSA-N -1 0 335.319 3.382 20 30 EGEDRM CCc1nn(C)cc1/C=C\C(=O)c1cc(C(=O)[O-])ccc1OC(C)C ZINC000876498182 1298794145 /nfs/dbraw/zinc/79/41/45/1298794145.db2.gz QWFUPGRCLMYIQB-VURMDHGXSA-N -1 0 342.395 3.364 20 30 EGEDRM CC(C)Oc1ccc(C(=O)[O-])cc1C(=O)/C=C\c1cc2n(n1)CCC2 ZINC000876497934 1298794255 /nfs/dbraw/zinc/79/42/55/1298794255.db2.gz ISNQTNSKYMOHTK-SREVYHEPSA-N -1 0 340.379 3.211 20 30 EGEDRM CC(C)C(C)N=Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000748081252 1298923945 /nfs/dbraw/zinc/92/39/45/1298923945.db2.gz LGRFAWXFRMUHNC-UHFFFAOYSA-N -1 0 338.458 3.388 20 30 EGEDRM Cc1ccc(NC(=S)NN=Cc2ccc([N+](=O)[O-])c([O-])c2)cc1C ZINC000748132743 1298933498 /nfs/dbraw/zinc/93/34/98/1298933498.db2.gz ZOYUBMCQIBMPMZ-UHFFFAOYSA-N -1 0 344.396 3.238 20 30 EGEDRM Cc1ccc(Nc2cccc(C(=O)Nc3cc(C#N)ccc3[O-])c2)nn1 ZINC000748410587 1299004083 /nfs/dbraw/zinc/00/40/83/1299004083.db2.gz LYPKFCZCPXNJOD-UHFFFAOYSA-N -1 0 345.362 3.358 20 30 EGEDRM COc1ccc(C(=O)/C=C\c2cc(C#N)cs2)cc1CC(=O)[O-] ZINC000748440338 1299008550 /nfs/dbraw/zinc/00/85/50/1299008550.db2.gz JUKPHASKHSHRGV-ARJAWSKDSA-N -1 0 327.361 3.152 20 30 EGEDRM N#Cc1cccc(C2(NC(=O)c3ccc4[n-]c(=S)oc4c3)CC2)c1 ZINC000749016591 1299127028 /nfs/dbraw/zinc/12/70/28/1299127028.db2.gz ZJSHZXGHHATKDO-UHFFFAOYSA-N -1 0 335.388 3.407 20 30 EGEDRM O=C(/C=C\c1cccc2c1OCCCO2)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000749590456 1299241816 /nfs/dbraw/zinc/24/18/16/1299241816.db2.gz MUMOSSUREAPOBY-ALCCZGGFSA-N -1 0 341.319 3.358 20 30 EGEDRM COCCOc1ccccc1/C=C\C(=O)c1csc(C(=O)[O-])c1 ZINC000751514539 1299560356 /nfs/dbraw/zinc/56/03/56/1299560356.db2.gz SNULIVLNAKJGCI-SREVYHEPSA-N -1 0 332.377 3.368 20 30 EGEDRM CN1CCc2cc(/C=C\C(=O)c3cccc(OCC(=O)[O-])c3)ccc21 ZINC000751525121 1299561319 /nfs/dbraw/zinc/56/13/19/1299561319.db2.gz VCNFPQKEIAKGJF-VURMDHGXSA-N -1 0 337.375 3.038 20 30 EGEDRM C[C@@H](NC(=S)NN=Cc1cc(Cl)cc(Cl)c1[O-])C1CC1 ZINC000751531715 1299563757 /nfs/dbraw/zinc/56/37/57/1299563757.db2.gz OPMRNLWICMLFNP-SSDOTTSWSA-N -1 0 332.256 3.296 20 30 EGEDRM C[C@H](Oc1cccc(C(=O)/C=C\c2ccc(O)c(F)c2)c1)C(=O)[O-] ZINC000755592178 1300361592 /nfs/dbraw/zinc/36/15/92/1300361592.db2.gz XTCLOOJAEAHMBF-XOIDGJRKSA-N -1 0 330.311 3.279 20 30 EGEDRM CCCc1ccc(S(=O)(=O)[N-]c2cc(N(C)C)ccc2C#N)cc1 ZINC000756357236 1300474441 /nfs/dbraw/zinc/47/44/41/1300474441.db2.gz BBNBTESOPNZKJO-UHFFFAOYSA-N -1 0 343.452 3.378 20 30 EGEDRM Cn1cc(/C=C\C(=O)c2cc(F)cc(F)c2[O-])c(-c2ccncc2)n1 ZINC000757473839 1300675699 /nfs/dbraw/zinc/67/56/99/1300675699.db2.gz QIJPMKKGGYCNOF-IHWYPQMZSA-N -1 0 341.317 3.362 20 30 EGEDRM O=c1[n-]c(N=NC2CCC3(CCOCC3)CC2)nc2ccccc21 ZINC000757584039 1300688291 /nfs/dbraw/zinc/68/82/91/1300688291.db2.gz RDWPWGLLOYLJSQ-UHFFFAOYSA-N -1 0 326.400 3.474 20 30 EGEDRM O=c1c2ccccc2[n-]c(=S)n1N=Cc1cnc(C2CCC2)s1 ZINC000760239921 1301237605 /nfs/dbraw/zinc/23/76/05/1301237605.db2.gz RYYCBBFTUZMTNN-UHFFFAOYSA-N -1 0 342.449 3.291 20 30 EGEDRM C=CCOc1cccc([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)c1 ZINC000761950058 1301574120 /nfs/dbraw/zinc/57/41/20/1301574120.db2.gz MWBKXGPFROLIHS-UHFFFAOYSA-N -1 0 342.779 3.240 20 30 EGEDRM CCC(CC)[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000762062769 1301605524 /nfs/dbraw/zinc/60/55/24/1301605524.db2.gz OADIKVAUJYDDKO-JTQLQIEISA-N -1 0 342.848 3.089 20 30 EGEDRM COc1ccsc1/C=C(/C(=O)C(=O)[O-])c1ccc2ccccc2n1 ZINC000764433911 1302063051 /nfs/dbraw/zinc/06/30/51/1302063051.db2.gz IBSRBFQAQSCBAD-ZRDIBKRKSA-N -1 0 339.372 3.499 20 30 EGEDRM C#CCOc1ccc([N-]S(=O)(=O)c2cc(C)ccc2Cl)cc1 ZINC000765646857 1302295513 /nfs/dbraw/zinc/29/55/13/1302295513.db2.gz FPKCFDSJMMHTOW-UHFFFAOYSA-N -1 0 335.812 3.461 20 30 EGEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N\C[C@@H](O)c2ccc(F)cc2)c1[O-] ZINC000766283962 1302421303 /nfs/dbraw/zinc/42/13/03/1302421303.db2.gz OWNPVPQXAPQDQW-ZMNVVMRHSA-N -1 0 338.722 3.245 20 30 EGEDRM CCc1cnccc1C(=O)/C=C/c1ccc(OCCC(=O)[O-])cc1 ZINC000766771901 1302513752 /nfs/dbraw/zinc/51/37/52/1302513752.db2.gz LTSPMXAITSPYPC-VMPITWQZSA-N -1 0 325.364 3.394 20 30 EGEDRM C#Cc1cccc(N(C)C(=O)c2cccc(Br)c2[O-])c1 ZINC000769763134 1303172285 /nfs/dbraw/zinc/17/22/85/1303172285.db2.gz RDRTYMPUGQKKMO-UHFFFAOYSA-N -1 0 330.181 3.413 20 30 EGEDRM CC(=NNc1ccnc(Br)c1)c1cccc(C(=O)[O-])c1 ZINC000769804236 1303176729 /nfs/dbraw/zinc/17/67/29/1303176729.db2.gz RDROVQRIGWXNMF-UHFFFAOYSA-N -1 0 334.173 3.378 20 30 EGEDRM CCc1ccccc1C(=O)OCC([O-])=C(C#N)c1nc(C)cs1 ZINC000770124580 1303225281 /nfs/dbraw/zinc/22/52/81/1303225281.db2.gz LAEXUZSVKHELKT-AWEZNQCLSA-N -1 0 328.393 3.047 20 30 EGEDRM N#Cc1cc(/C=C(\C(=O)C(=O)[O-])c2ccc3ccccc3n2)ccc1F ZINC000770565770 1303286052 /nfs/dbraw/zinc/28/60/52/1303286052.db2.gz JDBLXRMUYSPBII-GDNBJRDFSA-N -1 0 346.317 3.440 20 30 EGEDRM CC(=NNC(=S)Nc1ccc(C)cc1C)c1ccc(C(=O)[O-])o1 ZINC000772996358 1303603948 /nfs/dbraw/zinc/60/39/48/1303603948.db2.gz IFAPCJLPQZFWNC-UHFFFAOYSA-N -1 0 331.397 3.305 20 30 EGEDRM CC(=O)c1ccc(C(=O)C(C#N)=C([O-])c2c(C)[nH]c3ccccc32)o1 ZINC000774036379 1303766281 /nfs/dbraw/zinc/76/62/81/1303766281.db2.gz HCOQADXTIPYAMQ-ZDUSSCGKSA-N -1 0 334.331 3.477 20 30 EGEDRM CC(=O)c1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)o1 ZINC000774050747 1303768230 /nfs/dbraw/zinc/76/82/30/1303768230.db2.gz GYLXYHDVFVYNCR-JTQLQIEISA-N -1 0 348.717 3.236 20 30 EGEDRM C#CCOc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(C)c1C ZINC000775298107 1303935998 /nfs/dbraw/zinc/93/59/98/1303935998.db2.gz GYGMXQLKCXWTNS-UHFFFAOYSA-N -1 0 345.420 3.125 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cc(C)n(C2CCCCC2)n1 ZINC000776516961 1304167199 /nfs/dbraw/zinc/16/71/99/1304167199.db2.gz OXVNLTLWWVAHKR-INIZCTEOSA-N -1 0 344.459 3.326 20 30 EGEDRM O=C([O-])c1ccc(C(=O)/C=C/c2cccc(Br)n2)s1 ZINC000777916100 1304365376 /nfs/dbraw/zinc/36/53/76/1304365376.db2.gz UYADPTJASXZSRU-SNAWJCMRSA-N -1 0 338.182 3.500 20 30 EGEDRM COc1ccc(C(=O)/C=C/c2cccc(Br)n2)c([O-])c1 ZINC000777919580 1304366127 /nfs/dbraw/zinc/36/61/27/1304366127.db2.gz QWUGAGJSGGTHCF-VMPITWQZSA-N -1 0 334.169 3.454 20 30 EGEDRM C=C[C@H](CC(=O)[N-]S(=O)(=O)Cc1cccc(C)c1)c1ccccc1 ZINC000778830545 1304497985 /nfs/dbraw/zinc/49/79/85/1304497985.db2.gz RGJLGDLLNLCTSG-QGZVFWFLSA-N -1 0 343.448 3.301 20 30 EGEDRM C#CCCCCCC(=O)[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000780334979 1304677706 /nfs/dbraw/zinc/67/77/06/1304677706.db2.gz VKTJXSIYEINGSK-UHFFFAOYSA-N -1 0 331.437 3.003 20 30 EGEDRM O=C(C=Cc1cc(F)c([O-])c(F)c1)c1ccc(N2CCNC2=O)cc1 ZINC000782369712 1304963286 /nfs/dbraw/zinc/96/32/86/1304963286.db2.gz NYWHTBPYDLFBRY-LZCJLJQNSA-N -1 0 344.317 3.096 20 30 EGEDRM CC[C@H]1CC[C@H](C(=O)OCC([O-])=C(C#N)c2nc(C)cs2)CC1 ZINC000782399697 1304968498 /nfs/dbraw/zinc/96/84/98/1304968498.db2.gz KDRPAZGDGMOOMP-IHRRRGAJSA-N -1 0 334.441 3.387 20 30 EGEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2nccc3ccccc32)c1 ZINC000786539040 1305592494 /nfs/dbraw/zinc/59/24/94/1305592494.db2.gz CUSBCTRCZIYINJ-SFHVURJKSA-N -1 0 343.386 3.182 20 30 EGEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1ccnn1C(C)C)c1ccccc1 ZINC000787035424 1305680554 /nfs/dbraw/zinc/68/05/54/1305680554.db2.gz MROOKJJRJOEKLB-CVEARBPZSA-N -1 0 338.411 3.054 20 30 EGEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1cccc(C(C)=O)c1)c1ccccc1 ZINC000787047394 1305684384 /nfs/dbraw/zinc/68/43/84/1305684384.db2.gz XFNRFXXGKBOJCY-MOPGFXCFSA-N -1 0 348.402 3.479 20 30 EGEDRM CCn1cccc(C/N=C/c2cc(Cl)cc(Cl)c2[O-])c1=O ZINC000788318837 1305921402 /nfs/dbraw/zinc/92/14/02/1305921402.db2.gz RJEIUEWIARCRMF-GIJQJNRQSA-N -1 0 325.195 3.500 20 30 EGEDRM O=C([O-])[C@@H]1CCC(=NNc2nc3ccccc3c(=O)[nH]2)c2ccccc21 ZINC000789022449 1306066784 /nfs/dbraw/zinc/06/67/84/1306066784.db2.gz CIVIKTFASWZWGF-CYBMUJFWSA-N -1 0 348.362 3.114 20 30 EGEDRM CC[C@@H](NN=Cc1c(Cl)n(-c2ccccc2)nc1C(C)C)C(=O)[O-] ZINC000793072819 1309290419 /nfs/dbraw/zinc/29/04/19/1309290419.db2.gz PQNWAXRMELPDHS-CQSZACIVSA-N -1 0 348.834 3.436 20 30 EGEDRM Cc1cc(C)c(C(=O)[O-])cc1C=CC(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000794939540 1309627107 /nfs/dbraw/zinc/62/71/07/1309627107.db2.gz WQCNUNGQNMAVEU-GQCTYLIASA-N -1 0 336.347 3.480 20 30 EGEDRM COCCN(C)N=C(C)c1ccc(Oc2ccc(C(=O)[O-])cc2)cc1 ZINC000794970288 1309636013 /nfs/dbraw/zinc/63/60/13/1309636013.db2.gz AEZIAUNHQSCTEO-UHFFFAOYSA-N -1 0 342.395 3.479 20 30 EGEDRM CC(C)(C#N)c1ccc(C([O-])=C(C#N)C(=O)NCc2ccccc2)cc1 ZINC000796635351 1310051919 /nfs/dbraw/zinc/05/19/19/1310051919.db2.gz ZGBGNOPTKUHUKJ-SFHVURJKSA-N -1 0 345.402 3.127 20 30 EGEDRM Cc1c2cc(C#N)ccc2sc1C([O-])=C(C#N)C(=O)N1CCCC1 ZINC000796741655 1310077208 /nfs/dbraw/zinc/07/72/08/1310077208.db2.gz QRUDEXIEXNUJKP-AWEZNQCLSA-N -1 0 337.404 3.026 20 30 EGEDRM C=CCC(C)(C)C(=O)C(C#N)=C([O-])c1c(C)[nH]c(C)c1C(=O)OCC ZINC000796764063 1310082384 /nfs/dbraw/zinc/08/23/84/1310082384.db2.gz UALLIKNMIUKBIC-ZDUSSCGKSA-N -1 0 344.411 3.302 20 30 EGEDRM CC(C)OCCCNC(=O)C(C#N)=C([O-])c1cccc(C2CCC2)c1 ZINC000798815176 1310445462 /nfs/dbraw/zinc/44/54/62/1310445462.db2.gz JLNVWUFKZHQCJR-GOSISDBHSA-N -1 0 342.439 3.208 20 30 EGEDRM C[C@H](C(=O)C(C#N)=C([O-])c1nccn1C)c1ccc(C(F)(F)F)cc1 ZINC000798844073 1310450001 /nfs/dbraw/zinc/45/00/01/1310450001.db2.gz PYXLHRDUBYWFOT-GWCFXTLKSA-N -1 0 349.312 3.134 20 30 EGEDRM COc1ccccc1CON=Cc1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000799116569 1310490208 /nfs/dbraw/zinc/49/02/08/1310490208.db2.gz ALSJCJVZLPIUKC-CYBMUJFWSA-N -1 0 329.352 3.098 20 30 EGEDRM CCOC(=O)c1cc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)[nH]c1C ZINC000799464631 1310556450 /nfs/dbraw/zinc/55/64/50/1310556450.db2.gz GYYZUFWYTXNMPY-UHFFFAOYSA-N -1 0 349.774 3.297 20 30 EGEDRM CCCCCCCS(=O)(=O)[N-]c1ccc([N+](=O)[O-])cc1OC ZINC000799645022 1310594485 /nfs/dbraw/zinc/59/44/85/1310594485.db2.gz SDWVEWUXWBEEFQ-UHFFFAOYSA-N -1 0 330.406 3.316 20 30 EGEDRM C=CC[C@@H]1CCCN(C(=O)c2ccc3c(=O)[nH]c(=S)[n-]c3c2)C1 ZINC000857310188 1328528161 /nfs/dbraw/zinc/52/81/61/1328528161.db2.gz ZATKDHCQDCPPJZ-LLVKDONJSA-N -1 0 329.425 3.052 20 30 EGEDRM C=CCC[C@@H](NC(=O)Nc1cc(OCC)ccc1Cl)C(=O)[O-] ZINC000900337436 1317276785 /nfs/dbraw/zinc/27/67/85/1317276785.db2.gz IVYKPGYUZWERCM-GFCCVEGCSA-N -1 0 326.780 3.280 20 30 EGEDRM O=C([O-])c1ccc(-c2ccc(C=NNC3CCOCC3)s2)cc1 ZINC000901199012 1317392456 /nfs/dbraw/zinc/39/24/56/1317392456.db2.gz RTFQIAWUBJTOAN-UHFFFAOYSA-N -1 0 330.409 3.216 20 30 EGEDRM CC(C)n1cncc1/C=C\C(=O)c1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000901468893 1317432747 /nfs/dbraw/zinc/43/27/47/1317432747.db2.gz OYGYHAZHRODQEV-WSROAFLRSA-N -1 0 328.368 3.212 20 30 EGEDRM CC(C)(C)CCCCC(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1 ZINC000805872218 1317433999 /nfs/dbraw/zinc/43/39/99/1317433999.db2.gz RRTHDYNFDFBKLG-UHFFFAOYSA-N -1 0 336.457 3.111 20 30 EGEDRM Cc1nn(C)c2ncc(/C=C3\C[C@H](C(=O)[O-])c4ccccc4C3=O)cc12 ZINC000806562353 1317501322 /nfs/dbraw/zinc/50/13/22/1317501322.db2.gz JLOLMKFIHNWRMF-BNXPMYBGSA-N -1 0 347.374 3.115 20 30 EGEDRM C[C@H](Oc1cccc(/C=C2/Cc3nc(Cl)ccc3C2=O)c1)C(=O)[O-] ZINC000806577489 1317506079 /nfs/dbraw/zinc/50/60/79/1317506079.db2.gz SHWPBOXLDPVNOM-BZPKPHBRSA-N -1 0 343.766 3.409 20 30 EGEDRM C[C@@H](Oc1cccc(/C=C2\Cc3nc(Cl)ccc3C2=O)c1)C(=O)[O-] ZINC000806577491 1317506250 /nfs/dbraw/zinc/50/62/50/1317506250.db2.gz SHWPBOXLDPVNOM-CEXMDJMXSA-N -1 0 343.766 3.409 20 30 EGEDRM Cc1ccc([N+](=O)[O-])cc1C(=O)/C=C\c1ccc(O)c(C(=O)[O-])c1 ZINC000809154354 1317776073 /nfs/dbraw/zinc/77/60/73/1317776073.db2.gz SYDFWABNOUHQCH-UTCJRWHESA-N -1 0 327.292 3.203 20 30 EGEDRM Cc1c(C(=O)/C=C\c2ccc(O)c(C(=O)[O-])c2)cnn1C(C)(C)C ZINC000809156770 1317776980 /nfs/dbraw/zinc/77/69/80/1317776980.db2.gz JXGIHZBYOJDPAX-VURMDHGXSA-N -1 0 328.368 3.246 20 30 EGEDRM O=C(/C=C\c1ccc(N2CCC(O)CC2)cc1)c1ccc([O-])c(F)c1 ZINC000905073415 1317919030 /nfs/dbraw/zinc/91/90/30/1317919030.db2.gz QTAAJJLJWOVGIG-CLTKARDFSA-N -1 0 341.382 3.389 20 30 EGEDRM O=C(/C=C\c1ccc(N2CCC(O)CC2)cc1)c1cc(F)ccc1[O-] ZINC000905072928 1317919379 /nfs/dbraw/zinc/91/93/79/1317919379.db2.gz GQCHCHPSLZZALW-CLTKARDFSA-N -1 0 341.382 3.389 20 30 EGEDRM O=C(/C=C\c1ccc(N2CCC(O)CC2)cc1)c1c([O-])cccc1F ZINC000905082859 1317922064 /nfs/dbraw/zinc/92/20/64/1317922064.db2.gz BSTWKEFBZVIWKY-TWGQIWQCSA-N -1 0 341.382 3.389 20 30 EGEDRM CO[C@@H](CS(=O)(=O)[N-]c1scc(C(C)(C)C)c1C#N)C1CC1 ZINC000906067920 1318033744 /nfs/dbraw/zinc/03/37/44/1318033744.db2.gz WKWNNZFZEVTZQD-ZDUSSCGKSA-N -1 0 342.486 3.084 20 30 EGEDRM Cc1csc([N-]S(=O)(=O)C[C@@]2(C)CC2(Cl)Cl)c1C#N ZINC000906072885 1318034187 /nfs/dbraw/zinc/03/41/87/1318034187.db2.gz LUEMLXINTCOTHE-SNVBAGLBSA-N -1 0 339.269 3.254 20 30 EGEDRM C=CCC[C@H](C(=O)[N-]S(=O)(=O)C1(CC=C)CC1)c1ccccc1 ZINC000810983291 1318086357 /nfs/dbraw/zinc/08/63/57/1318086357.db2.gz PBNDIBUBDCLOHU-INIZCTEOSA-N -1 0 333.453 3.291 20 30 EGEDRM CC(C)OCc1cc(NC(=O)c2ccc(C#N)c([O-])c2)ccc1O ZINC000811595520 1318207724 /nfs/dbraw/zinc/20/77/24/1318207724.db2.gz PRXMDAIRJHMZGY-UHFFFAOYSA-N -1 0 326.352 3.147 20 30 EGEDRM O=C([O-])COc1ccc(Br)cc1C=NOC/C=C/Cl ZINC000811670227 1318224348 /nfs/dbraw/zinc/22/43/48/1318224348.db2.gz ZVENUXKMVANXRF-FVYUFWRISA-N -1 0 348.580 3.016 20 30 EGEDRM C=C(C)[C@H](CC(=O)N1[C@@H](C(=O)[O-])CC[C@H]1c1ccccc1)OCC ZINC000910096799 1318565564 /nfs/dbraw/zinc/56/55/64/1318565564.db2.gz BUEYJVZQBAKDCU-BBWFWOEESA-N -1 0 331.412 3.175 20 30 EGEDRM COCc1ccccc1C=C(C)C=CC([O-])=C1C(=O)C=C(C)OC1=O ZINC000814187748 1318693789 /nfs/dbraw/zinc/69/37/89/1318693789.db2.gz RHZJEWXQWRVMAV-XJWGLNHMSA-N -1 0 340.375 3.008 20 30 EGEDRM C=C[C@H](CC(=O)N[C@@](C)(CC(=O)[O-])c1ccncc1)c1ccccc1 ZINC000911625614 1318754786 /nfs/dbraw/zinc/75/47/86/1318754786.db2.gz TVOTTZZAGRZJJP-QRWLVFNGSA-N -1 0 338.407 3.248 20 30 EGEDRM CC(C)c1ccc(NC(=S)NN=Cc2c[nH]c(C(=O)[O-])c2)cc1 ZINC000814720874 1318805154 /nfs/dbraw/zinc/80/51/54/1318805154.db2.gz WHDPFWUPWPIIJS-UHFFFAOYSA-N -1 0 330.413 3.157 20 30 EGEDRM O=c1c2ccccc2[n-]c(=S)n1N=Cc1cc(Cl)c(F)cc1O ZINC000814781017 1318814469 /nfs/dbraw/zinc/81/44/69/1318814469.db2.gz RMXDDPKKRASZHA-UHFFFAOYSA-N -1 0 349.774 3.066 20 30 EGEDRM O=C([O-])c1cccc(CN=Nc2ccc(C(F)(F)F)nn2)c1Cl ZINC000814888219 1318840202 /nfs/dbraw/zinc/84/02/02/1318840202.db2.gz RXXXQMQTUWDSPV-UHFFFAOYSA-N -1 0 344.680 3.293 20 30 EGEDRM CC(CCc1ccc(OCCC(=O)[O-])cc1)=NO[C@H]1CCCCO1 ZINC000814888099 1318840368 /nfs/dbraw/zinc/84/03/68/1318840368.db2.gz XIBHXRHABWDVTI-SFHVURJKSA-N -1 0 335.400 3.392 20 30 EGEDRM CC(=NN[C@@H]1CCOC(C)(C)C1)c1cccc(OCCCC(=O)[O-])c1 ZINC000814909089 1318846480 /nfs/dbraw/zinc/84/64/80/1318846480.db2.gz WKWXLLGMHPVPDA-MRXNPFEDSA-N -1 0 348.443 3.201 20 30 EGEDRM CC(=NN[C@H]1CCSC1)c1oc2cc(C)ccc2c1CC(=O)[O-] ZINC000814933124 1318852664 /nfs/dbraw/zinc/85/26/64/1318852664.db2.gz DZXCJJIOIWGKCP-LBPRGKRZSA-N -1 0 332.425 3.187 20 30 EGEDRM CCC(CC)CN=Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cn1 ZINC000914699161 1319364388 /nfs/dbraw/zinc/36/43/88/1319364388.db2.gz GMTVLEVJSDQKCU-UHFFFAOYSA-N -1 0 347.444 3.111 20 30 EGEDRM C[C@H](C/N=C/c1cc([N+](=O)[O-])ccc1[O-])N1CCc2ccccc21 ZINC000914701151 1319366117 /nfs/dbraw/zinc/36/61/17/1319366117.db2.gz BBEURSHOACLRLY-KZKLBEMASA-N -1 0 325.368 3.171 20 30 EGEDRM Cc1ccc(NC(=S)NN=Cc2cc([N+](=O)[O-])ccc2[O-])c(C)c1 ZINC000915912740 1319560154 /nfs/dbraw/zinc/56/01/54/1319560154.db2.gz VOLXACWEGZQNBH-UHFFFAOYSA-N -1 0 344.396 3.238 20 30 EGEDRM CC(=NNC(=S)Nc1ccccc1C)c1ccc(C(=O)[O-])cc1 ZINC000915937933 1319567100 /nfs/dbraw/zinc/56/71/00/1319567100.db2.gz XXYICKQYXWIYOE-UHFFFAOYSA-N -1 0 327.409 3.404 20 30 EGEDRM O=C([O-])COc1ccccc1CN=Nc1nccc2sccc21 ZINC000915979923 1319578298 /nfs/dbraw/zinc/57/82/98/1319578298.db2.gz LJPATMXPDWUGRD-UHFFFAOYSA-N -1 0 327.365 3.206 20 30 EGEDRM C#CCOc1ccc(C=NNc2ccc(C(=O)[O-])cc2)cc1OCC ZINC000916240941 1319623105 /nfs/dbraw/zinc/62/31/05/1319623105.db2.gz XIIMBTYRUXQTFK-UHFFFAOYSA-N -1 0 338.363 3.242 20 30 EGEDRM CCOC(=O)c1c(C)[nH]c(C)c1C(=O)C(C#N)=C([O-])c1ccsc1 ZINC000917504482 1319823247 /nfs/dbraw/zinc/82/32/47/1319823247.db2.gz DICKLOLFFYZTKR-LBPRGKRZSA-N -1 0 344.392 3.075 20 30 EGEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)C(CC)CC ZINC000917506582 1319823591 /nfs/dbraw/zinc/82/35/91/1319823591.db2.gz BMDMDFCFWMVBMQ-ZDUSSCGKSA-N -1 0 332.400 3.136 20 30 EGEDRM C=CCC[C@@H](NC(=O)/C=C/c1ccccc1OC(F)(F)F)C(=O)[O-] ZINC000823368935 1320172764 /nfs/dbraw/zinc/17/27/64/1320172764.db2.gz DZWVUHSVLWLGQP-BZYZDCJZSA-N -1 0 343.301 3.134 20 30 EGEDRM CC(C)OC(=O)[C@@H](/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-])C(C)C ZINC000840710638 1321132009 /nfs/dbraw/zinc/13/20/09/1321132009.db2.gz TZXQPXRXOBQJDR-SRYMZENNSA-N -1 0 342.779 3.349 20 30 EGEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1ccc(C)c(C)n1)c1ccccc1 ZINC000842342337 1321374601 /nfs/dbraw/zinc/37/46/01/1321374601.db2.gz JAGBREHYYZYBCI-SJORKVTESA-N -1 0 335.407 3.288 20 30 EGEDRM N#CC(=C([O-])c1ccc(Cn2cccn2)o1)c1nc(C2CC2)cs1 ZINC000842936894 1321451065 /nfs/dbraw/zinc/45/10/65/1321451065.db2.gz AWBUHWQRKFJZBI-ZDUSSCGKSA-N -1 0 338.392 3.348 20 30 EGEDRM C=C[C@H](C)O[N-]C(=O)[C@H]1CN(C(=O)OC(C)(C)C)Cc2ccccc21 ZINC000846555722 1321793853 /nfs/dbraw/zinc/79/38/53/1321793853.db2.gz XWDFRDASOSLTRO-BBRMVZONSA-N -1 0 346.427 3.143 20 30 EGEDRM CC(C)(C)OC(=O)N[C@@H]1CCCC1N=Nc1ccc(CC(=O)[O-])cc1 ZINC000848414989 1321958624 /nfs/dbraw/zinc/95/86/24/1321958624.db2.gz UTUBROYYPXMBQR-CQSZACIVSA-N -1 0 347.415 3.159 20 30 EGEDRM C#Cc1cccc(NC(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])c1 ZINC000918758732 1321992585 /nfs/dbraw/zinc/99/25/85/1321992585.db2.gz BFWXUTSQDZKONM-UHFFFAOYSA-N -1 0 337.766 3.465 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])[C@]2(C(=O)OC(C)(C)C)CC2(C)C)n1 ZINC000850736687 1322281496 /nfs/dbraw/zinc/28/14/96/1322281496.db2.gz LMFVCXDLWXEVEW-GTNSWQLSSA-N -1 0 334.441 3.386 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc2c(c1)C[C@H](C)O2 ZINC000850753129 1322284366 /nfs/dbraw/zinc/28/43/66/1322284366.db2.gz XRJQPCQZTHRULW-XJKSGUPXSA-N -1 0 328.412 3.029 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc2c(c1)C[C@@H](C)O2 ZINC000850753127 1322285020 /nfs/dbraw/zinc/28/50/20/1322285020.db2.gz XRJQPCQZTHRULW-CJNGLKHVSA-N -1 0 328.412 3.029 20 30 EGEDRM C=C[C@H](C)O[N-]C(=O)C(C)(C)Oc1ccc(Br)cc1 ZINC000855028420 1325336542 /nfs/dbraw/zinc/33/65/42/1325336542.db2.gz VOQWCGMOEZJOHY-JTQLQIEISA-N -1 0 328.206 3.229 20 30 EGEDRM CC1(C)[C@@]2(C)CC[C@]1(C([O-])=C(C#N)c1nc3ccccc3o1)OC2=O ZINC000860482531 1329322906 /nfs/dbraw/zinc/32/29/06/1329322906.db2.gz IFBBIQPXNQMBMO-KQPNJSLMSA-N -1 0 338.363 3.126 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2cc(-c3ccccc3)oc2C)CC1 ZINC000860771943 1329353787 /nfs/dbraw/zinc/35/37/87/1329353787.db2.gz KECHJEHKCKLVSY-UHFFFAOYSA-N -1 0 345.420 3.423 20 30 EGEDRM C=CCC[C@@H](NC(=O)N[C@@H](C)c1cccc(OC(F)F)c1)C(=O)[O-] ZINC000929031664 1328492810 /nfs/dbraw/zinc/49/28/10/1328492810.db2.gz UOKBIMOQYWVKIJ-GXFFZTMASA-N -1 0 342.342 3.068 20 30 EGEDRM C=CCC[C@H](NC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])c1ccccc1 ZINC000929041673 1328495592 /nfs/dbraw/zinc/49/55/92/1328495592.db2.gz AJCGQPCADNUIEF-KBPBESRZSA-N -1 0 338.354 3.198 20 30 EGEDRM O=C([O-])c1cc(/C=C2\S/C(=N\C3CCCC3)NC2=O)ccc1F ZINC000863180236 1329532398 /nfs/dbraw/zinc/53/23/98/1329532398.db2.gz HVJBMRVXEKEMJI-JYRVWZFOSA-N -1 0 334.372 3.026 20 30 EGEDRM CC(CCCCCCC(=O)[O-])=NNC[C@H]1COc2ccccc2O1 ZINC000863199308 1329533439 /nfs/dbraw/zinc/53/34/39/1329533439.db2.gz WGKZHIACNQIXFJ-HNNXBMFYSA-N -1 0 334.416 3.217 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2sc(C)cc2C)n1 ZINC000869577575 1330526415 /nfs/dbraw/zinc/52/64/15/1330526415.db2.gz CCDYKCYFENFYJD-LLVKDONJSA-N -1 0 334.422 3.163 20 30 EGEDRM CC(C)OC(=O)c1ccc(NC(=O)CCC(=O)C2=CC=C[CH]2)cc1 ZINC001184245189 1387419565 /nfs/dbraw/zinc/41/95/65/1387419565.db2.gz KXYKJKLPHJMSQY-UHFFFAOYSA-N -1 0 326.372 3.240 20 30 EGEDRM Cc1ncc(C#N)cc1[N-]S(=O)(=O)c1cc2ccccc2s1 ZINC001185429722 1387714254 /nfs/dbraw/zinc/71/42/54/1387714254.db2.gz PYJJHPQPJQNYDB-UHFFFAOYSA-N -1 0 329.406 3.277 20 30 EGEDRM CCCCCCCN(C)S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC001185896133 1387825620 /nfs/dbraw/zinc/82/56/20/1387825620.db2.gz JKVZLMVWVPVRTD-UHFFFAOYSA-N -1 0 327.446 3.284 20 30 EGEDRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc([C@H](C)C#N)cc1 ZINC001185905908 1387825840 /nfs/dbraw/zinc/82/58/40/1387825840.db2.gz BNHLSXHCTXMKGH-GFCCVEGCSA-N -1 0 344.392 3.121 20 30 EGEDRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc([C@@H](C)C#N)cc1 ZINC001185905909 1387825898 /nfs/dbraw/zinc/82/58/98/1387825898.db2.gz BNHLSXHCTXMKGH-LBPRGKRZSA-N -1 0 344.392 3.121 20 30 EGEDRM N#C[C@@H]1CCCCN1C(=O)c1cc(Br)ccc1[S-] ZINC001189950531 1367138537 /nfs/dbraw/zinc/13/85/37/1367138537.db2.gz MPHHLQXGUDNZSW-JTQLQIEISA-N -1 0 325.231 3.256 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cccc3ccc(O)cc32)c1 ZINC001190647633 1367315853 /nfs/dbraw/zinc/31/58/53/1367315853.db2.gz CQMYIYLIXFFHPV-UHFFFAOYSA-N -1 0 342.351 3.357 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]c2cc(-c3ccc(F)c(F)c3)no2)CC1 ZINC001190766656 1367345015 /nfs/dbraw/zinc/34/50/15/1367345015.db2.gz VDGSMVAZCPPYNQ-UHFFFAOYSA-N -1 0 340.351 3.470 20 30 EGEDRM CCCCc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2O)cc1 ZINC001191249158 1367457858 /nfs/dbraw/zinc/45/78/58/1367457858.db2.gz PJLHWQKFPXAFOZ-UHFFFAOYSA-N -1 0 330.409 3.407 20 30 EGEDRM Cc1cc(C#N)c(F)cc1[N-]S(=O)(=O)C(Cl)(Cl)Cl ZINC001192040292 1367673340 /nfs/dbraw/zinc/67/33/40/1367673340.db2.gz FZMMWOZGNMNRIA-UHFFFAOYSA-N -1 0 331.583 3.075 20 30 EGEDRM N#Cc1oc2ccccc2c1[N-]S(=O)(=O)c1cnccc1Cl ZINC001192854657 1367889151 /nfs/dbraw/zinc/88/91/51/1367889151.db2.gz BCSRDZQLEXBQSD-UHFFFAOYSA-N -1 0 333.756 3.154 20 30 EGEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1cccc(F)c1OC1CCCCC1 ZINC001193158396 1367956389 /nfs/dbraw/zinc/95/63/89/1367956389.db2.gz PQUSPDWIYKABLQ-NSHDSACASA-N -1 0 326.393 3.191 20 30 EGEDRM C[C@H](C#N)S(=O)(=O)[N-]c1ccc(Cl)cc1C#C[Si](C)(C)C ZINC001193160873 1367957102 /nfs/dbraw/zinc/95/71/02/1367957102.db2.gz JECKXLRRMSTKRH-LLVKDONJSA-N -1 0 340.908 3.223 20 30 EGEDRM CC(C)(C)n1cc(C#N)cc1NC(=O)c1ccc(O)c([O-])c1Cl ZINC001193210213 1367967440 /nfs/dbraw/zinc/96/74/40/1367967440.db2.gz WKOIXCAATBCSPG-UHFFFAOYSA-N -1 0 333.775 3.432 20 30 EGEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2)c1 ZINC001193636522 1368080515 /nfs/dbraw/zinc/08/05/15/1368080515.db2.gz UFKVBHYQYLTTRH-UHFFFAOYSA-N -1 0 346.408 3.155 20 30 EGEDRM N#Cc1cccc(C(=O)N=c2cc[nH]cc2Oc2ccccc2)c1[O-] ZINC001193635738 1368081158 /nfs/dbraw/zinc/08/11/58/1368081158.db2.gz ZTHLYFBYRZDCPP-UHFFFAOYSA-N -1 0 331.331 3.125 20 30 EGEDRM Cc1cc(C#N)c([N-]S(=O)(=O)Cc2noc3ccccc32)s1 ZINC001194049896 1368174222 /nfs/dbraw/zinc/17/42/22/1368174222.db2.gz KDRNZIXJHHRDJA-UHFFFAOYSA-N -1 0 333.394 3.011 20 30 EGEDRM Cc1cccc(C)c1S(=O)(=O)[N-]c1onc(C(C)(C)C)c1C#N ZINC001194609822 1368296397 /nfs/dbraw/zinc/29/63/97/1368296397.db2.gz LMOZNWJENJURMZ-UHFFFAOYSA-N -1 0 333.413 3.261 20 30 EGEDRM COc1ccc(C#N)c([N-]S(=O)(=O)c2cccc(C(C)C)c2)c1 ZINC001195156867 1368389884 /nfs/dbraw/zinc/38/98/84/1368389884.db2.gz VGTSSYOFCQZCEB-UHFFFAOYSA-N -1 0 330.409 3.491 20 30 EGEDRM Cc1nsc([N-]S(=O)(=O)c2c(C)cccc2Cl)c1C#N ZINC001195268156 1368410417 /nfs/dbraw/zinc/41/04/17/1368410417.db2.gz RFAYDUCUAHCGJY-UHFFFAOYSA-N -1 0 327.818 3.086 20 30 EGEDRM N#Cc1ccc(C(=O)NCCCc2cncc(C(F)(F)F)c2)c([O-])c1 ZINC001195733735 1368479659 /nfs/dbraw/zinc/47/96/59/1368479659.db2.gz VRKVOYCGVRGIKF-UHFFFAOYSA-N -1 0 349.312 3.040 20 30 EGEDRM COC(=O)c1cc(C#N)cc(NC(=O)c2cc(Cl)c(F)cc2[O-])c1 ZINC001196466443 1368621183 /nfs/dbraw/zinc/62/11/83/1368621183.db2.gz GHYPHMKQZNGVHN-UHFFFAOYSA-N -1 0 348.717 3.095 20 30 EGEDRM COc1ccc(C)c([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)c1 ZINC001196639877 1368654244 /nfs/dbraw/zinc/65/42/44/1368654244.db2.gz RHYAORQFVKUGPH-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM Cc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)n(C(C)C)n1 ZINC001196648527 1368655387 /nfs/dbraw/zinc/65/53/87/1368655387.db2.gz WJKWTKIKHLWXPB-UHFFFAOYSA-N -1 0 338.820 3.098 20 30 EGEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccnc1C1CC1 ZINC001196650688 1368656556 /nfs/dbraw/zinc/65/65/56/1368656556.db2.gz WNLQVIRGRMNIRU-UHFFFAOYSA-N -1 0 333.800 3.285 20 30 EGEDRM Cc1cc(F)cc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)c1O ZINC001196680623 1368661212 /nfs/dbraw/zinc/66/12/12/1368661212.db2.gz VLMOLRWFBSFEAT-UHFFFAOYSA-N -1 0 340.763 3.166 20 30 EGEDRM C[C@H](O)c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)cc1 ZINC001196680036 1368661214 /nfs/dbraw/zinc/66/12/14/1368661214.db2.gz UJSZRDZSRAQLJY-JTQLQIEISA-N -1 0 336.800 3.066 20 30 EGEDRM N#Cc1cccc(NC(=S)Nc2ncc(Br)cc2[O-])c1 ZINC001197675793 1368870387 /nfs/dbraw/zinc/87/03/87/1368870387.db2.gz XURYPAKPBAFBPF-UHFFFAOYSA-N -1 0 349.213 3.230 20 30 EGEDRM N#Cc1oc2ccccc2c1[N-]S(=O)(=O)c1cccc(Cl)n1 ZINC001198197224 1368978513 /nfs/dbraw/zinc/97/85/13/1368978513.db2.gz JKYBOMQAOMAZPP-UHFFFAOYSA-N -1 0 333.756 3.154 20 30 EGEDRM Cc1nc(C#N)c([N-]C(=O)c2cc(-c3cccc(Cl)c3)no2)o1 ZINC001199312387 1369206453 /nfs/dbraw/zinc/20/64/53/1369206453.db2.gz LYSIYIFLURIALG-UHFFFAOYSA-N -1 0 328.715 3.415 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2c(C)ccnc2C(C)C)cc1C#N ZINC001201296429 1369512780 /nfs/dbraw/zinc/51/27/80/1369512780.db2.gz JCDODXCHHJFRHN-UHFFFAOYSA-N -1 0 329.425 3.494 20 30 EGEDRM Cc1nc2c(cccc2[N-]S(=O)(=O)c2ccc(C)c(C#N)c2)o1 ZINC001201317066 1369517612 /nfs/dbraw/zinc/51/76/12/1369517612.db2.gz NPGSQBLSPRILFH-UHFFFAOYSA-N -1 0 327.365 3.117 20 30 EGEDRM CCCCCCCCCCS(=O)(=O)[N-]c1c(C#N)cnn1C ZINC001201834687 1369630868 /nfs/dbraw/zinc/63/08/68/1369630868.db2.gz SVQMUCMZOURSFS-UHFFFAOYSA-N -1 0 326.466 3.174 20 30 EGEDRM C#CCN(CC1CC1)C(=O)c1nn(-c2cccc(C(C)C)c2)cc1[O-] ZINC001116369318 1370896572 /nfs/dbraw/zinc/89/65/72/1370896572.db2.gz VGFTYEPXRSPBOW-UHFFFAOYSA-N -1 0 337.423 3.187 20 30 EGEDRM Cc1oncc1S(=O)(=O)[N-]c1ccc(C2(C#N)CCCC2)cc1 ZINC001187376084 1388100984 /nfs/dbraw/zinc/10/09/84/1388100984.db2.gz KRAGNQMGPQHZAY-UHFFFAOYSA-N -1 0 331.397 3.119 20 30 EGEDRM C=CC[C@H](NC(=O)c1[nH]c2ccc(Cl)cc2c1Cl)C(=O)[O-] ZINC001116921917 1371001244 /nfs/dbraw/zinc/00/12/44/1371001244.db2.gz JPVHSVRAJBHZDM-JTQLQIEISA-N -1 0 327.167 3.234 20 30 EGEDRM C=CC[C@@H](NC(=O)/C=C/c1ccc2cc(OC)ccc2c1)C(=O)[O-] ZINC001119636113 1371380869 /nfs/dbraw/zinc/38/08/69/1371380869.db2.gz ZDAYWLNXQQDYFB-DKISHCGFSA-N -1 0 325.364 3.007 20 30 EGEDRM C=CCC[C@@H](NC(=O)N[C@@H](CC(F)(F)F)C(=O)[O-])c1ccccc1 ZINC001119714467 1371392677 /nfs/dbraw/zinc/39/26/77/1371392677.db2.gz BNIBIAFIUSVPAC-OLZOCXBDSA-N -1 0 344.333 3.399 20 30 EGEDRM COc1cc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)ccn1 ZINC001122496744 1372260749 /nfs/dbraw/zinc/26/07/49/1372260749.db2.gz PBPCRWCCZAHASD-CYBMUJFWSA-N -1 0 336.376 3.099 20 30 EGEDRM COc1ccc2cc(C([O-])=C(C#N)C(=O)NC3CCCC3)ccc2c1 ZINC001122624798 1372286568 /nfs/dbraw/zinc/28/65/68/1372286568.db2.gz IGYKHRQMPBIJPU-SFHVURJKSA-N -1 0 336.391 3.230 20 30 EGEDRM COc1ccc(C(=O)[O-])cc1Nc1ncc(C#N)cc1Br ZINC001210251852 1372305912 /nfs/dbraw/zinc/30/59/12/1372305912.db2.gz AVTBXLOAHQYEIJ-UHFFFAOYSA-N -1 0 348.156 3.166 20 30 EGEDRM CC(C)(C)OC(=O)c1ccc(C([O-])=C(C#N)c2cccc(F)n2)cn1 ZINC001122732134 1372309276 /nfs/dbraw/zinc/30/92/76/1372309276.db2.gz RQDGSCAGVGIXSY-LBPRGKRZSA-N -1 0 341.342 3.061 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)s1 ZINC001187933875 1388193935 /nfs/dbraw/zinc/19/39/35/1388193935.db2.gz NNYCRACAKRDUBZ-UHFFFAOYSA-N -1 0 334.209 3.122 20 30 EGEDRM N#Cc1c(F)cccc1[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC001187961265 1388199005 /nfs/dbraw/zinc/19/90/05/1388199005.db2.gz SOVGPMDUXIIIJL-UHFFFAOYSA-N -1 0 346.170 3.200 20 30 EGEDRM Cn1c(Cl)cnc1[C@H](C#N)C(=O)c1ccc(OC(C)(C)C)cn1 ZINC001123336203 1372430793 /nfs/dbraw/zinc/43/07/93/1372430793.db2.gz DUKPMJGRTDLKTP-LLVKDONJSA-N -1 0 332.791 3.136 20 30 EGEDRM Cc1ccc(Nc2cc(Br)cnc2C#N)cc1C(=O)[O-] ZINC001211594356 1372588109 /nfs/dbraw/zinc/58/81/09/1372588109.db2.gz URUIQEXGJSGBMQ-UHFFFAOYSA-N -1 0 332.157 3.466 20 30 EGEDRM CCCCCCCCS(=O)(=O)[N-]c1cccc(C(=O)OC)c1O ZINC001188013178 1388213878 /nfs/dbraw/zinc/21/38/78/1388213878.db2.gz OVDBPCGTXBGAAQ-UHFFFAOYSA-N -1 0 343.445 3.281 20 30 EGEDRM C#CCCC[C@H](N)c1nc(-c2ccc3[n-]c(=S)sc3c2)no1 ZINC001212325033 1372687007 /nfs/dbraw/zinc/68/70/07/1372687007.db2.gz FSLJFZIBWDZSOP-JTQLQIEISA-N -1 0 330.438 3.438 20 30 EGEDRM N#Cc1cc([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)cs1 ZINC001188047970 1388228041 /nfs/dbraw/zinc/22/80/41/1388228041.db2.gz NZFLYLDNUYKLIK-UHFFFAOYSA-N -1 0 334.209 3.122 20 30 EGEDRM Cn1[n-]c(-c2nc(-c3cc(Cl)c(C#N)cc3Cl)no2)cc1=O ZINC001213449874 1372907613 /nfs/dbraw/zinc/90/76/13/1372907613.db2.gz FXROPLLEYGDWHN-UHFFFAOYSA-N -1 0 336.138 3.021 20 30 EGEDRM COc1cc(Nc2ccc(C#N)nc2Br)cc(C(=O)[O-])c1 ZINC001213584645 1372930037 /nfs/dbraw/zinc/93/00/37/1372930037.db2.gz AICGIWWEPVFDIB-UHFFFAOYSA-N -1 0 348.156 3.166 20 30 EGEDRM CNC(=O)c1cc(C#N)cc(C)c1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214492200 1373069899 /nfs/dbraw/zinc/06/98/99/1373069899.db2.gz SQZLYAHURMNDRX-UHFFFAOYSA-N -1 0 333.750 3.468 20 30 EGEDRM CC(=O)Nc1ccc(Nc2c(F)cc(C(=O)[O-])cc2F)cc1C#N ZINC001215613477 1373217910 /nfs/dbraw/zinc/21/79/10/1373217910.db2.gz NAYWYBDLMLVLCG-UHFFFAOYSA-N -1 0 331.278 3.237 20 30 EGEDRM CC(C)COc1ccc2cc(NC(=N[O-])c3nonc3N)ccc2c1 ZINC001215678480 1373230679 /nfs/dbraw/zinc/23/06/79/1373230679.db2.gz CHMHXYJCQOVRDT-UHFFFAOYSA-N -1 0 341.371 3.088 20 30 EGEDRM COc1ncc(Nc2ccc(Br)c(F)c2C#N)cc1O ZINC001216210539 1373280598 /nfs/dbraw/zinc/28/05/98/1373280598.db2.gz LZZFHACGMRLSBG-UHFFFAOYSA-N -1 0 338.136 3.313 20 30 EGEDRM Cc1cc([O-])c(-c2nc(-c3cc(C#N)ccc3F)no2)cc1[N+](=O)[O-] ZINC001216944994 1373368841 /nfs/dbraw/zinc/36/88/41/1373368841.db2.gz HSASICMEHCVDRT-UHFFFAOYSA-N -1 0 340.270 3.337 20 30 EGEDRM COc1c(F)ccc(-c2noc(-c3ccc([O-])c(C#N)c3)n2)c1F ZINC001216969664 1373373469 /nfs/dbraw/zinc/37/34/69/1373373469.db2.gz LAGOOUDYAJLYFL-UHFFFAOYSA-N -1 0 329.262 3.268 20 30 EGEDRM N#Cc1ccc2[n-]c(-c3nc(-c4cccc(F)c4)no3)cc(=O)c2c1 ZINC001217502599 1373455926 /nfs/dbraw/zinc/45/59/26/1373455926.db2.gz GTVRZIKFDOPQSB-UHFFFAOYSA-N -1 0 332.294 3.256 20 30 EGEDRM N#Cc1ccc(-c2csc([N-]S(=O)(=O)c3ccoc3)n2)s1 ZINC001188580321 1388334680 /nfs/dbraw/zinc/33/46/80/1388334680.db2.gz XNNOAJSXHOWDBA-UHFFFAOYSA-N -1 0 337.407 3.137 20 30 EGEDRM N#CC1(NC(=O)c2ccc([O-])c(C(F)(F)F)c2)Cc2ccccc2C1 ZINC001188598683 1388338702 /nfs/dbraw/zinc/33/87/02/1388338702.db2.gz UJCKXXSJGHIHLR-UHFFFAOYSA-N -1 0 346.308 3.202 20 30 EGEDRM C[C@@H](CC(=O)OC(C)(C)C)Oc1[n-]c(=O)cc(C(F)(F)F)c1C#N ZINC001226066092 1375198703 /nfs/dbraw/zinc/19/87/03/1375198703.db2.gz YQLSPXVXVCAXGV-QMMMGPOBSA-N -1 0 346.305 3.177 20 30 EGEDRM C=CC[C@H](NC(=O)CCCCc1nc2ccccc2s1)C(=O)[O-] ZINC001327014510 1388365504 /nfs/dbraw/zinc/36/55/04/1388365504.db2.gz XNAFUCIYCONXNV-ZDUSSCGKSA-N -1 0 332.425 3.155 20 30 EGEDRM C=CC[C@@H](C=C)Oc1c([O-])c(C(=O)OCC)sc1C(=O)OCC ZINC001227494497 1375437781 /nfs/dbraw/zinc/43/77/81/1375437781.db2.gz BOUQGAKNDONDQX-SNVBAGLBSA-N -1 0 340.397 3.317 20 30 EGEDRM C#CC(C#C)Oc1cc([O-])cc2occ(-c3ccc(OC)cc3)c(=O)c12 ZINC001228364046 1375556828 /nfs/dbraw/zinc/55/68/28/1375556828.db2.gz UHYOJOAPOMUJRB-UHFFFAOYSA-N -1 0 346.338 3.188 20 30 EGEDRM C=CC[C@@H](CCCC)Oc1nc[n-]c(=O)c1I ZINC001228933751 1375720696 /nfs/dbraw/zinc/72/06/96/1375720696.db2.gz RHKCNIPTQXCOFX-VIFPVBQESA-N -1 0 348.184 3.301 20 30 EGEDRM COC(=O)c1cnc(O[C@@H](C#Cc2ccccc2)c2ccccc2)[n-]1 ZINC001230281763 1375982025 /nfs/dbraw/zinc/98/20/25/1375982025.db2.gz GTPKEJKMZVQOKL-SFHVURJKSA-N -1 0 332.359 3.368 20 30 EGEDRM Cc1oc([N-]S(=O)(=O)CCc2ccc(Cl)cc2)c(C#N)c1C ZINC001189073336 1388452343 /nfs/dbraw/zinc/45/23/43/1388452343.db2.gz ONXQETWYRRGGOP-UHFFFAOYSA-N -1 0 338.816 3.406 20 30 EGEDRM N#Cc1cc(-c2ccnc(-c3cncc(C(=O)[O-])c3)n2)c(F)cc1F ZINC001241800223 1377020499 /nfs/dbraw/zinc/02/04/99/1377020499.db2.gz NXHUJYJEPKSYNH-UHFFFAOYSA-N -1 0 338.273 3.054 20 30 EGEDRM C=CCN(Cc1ccccc1)Cc1cccc(OC)c1OCC(=O)[O-] ZINC001139271368 1377861007 /nfs/dbraw/zinc/86/10/07/1377861007.db2.gz FDBAVQODNSLJBN-UHFFFAOYSA-N -1 0 341.407 3.347 20 30 EGEDRM CSc1nc(Cl)c(/C=N/O)c(NCc2ccc(C#N)s2)n1 ZINC001159174543 1381715825 /nfs/dbraw/zinc/71/58/25/1381715825.db2.gz ZQNSBGFKMZDQEA-OMCISZLKSA-N -1 0 339.833 3.205 20 30 EGEDRM O=C([N-]CCNc1ccc(F)c(C(F)(F)F)c1F)C(F)(F)F ZINC001164246014 1383170716 /nfs/dbraw/zinc/17/07/16/1383170716.db2.gz JIYXQGUSBGZNIZ-UHFFFAOYSA-N -1 0 336.182 3.074 20 30 EGEDRM C[C@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)C1CCCCCC1 ZINC001309388846 1384179974 /nfs/dbraw/zinc/17/99/74/1384179974.db2.gz XBVWLEQCZFKZRT-NSHDSACASA-N -1 0 342.411 3.474 20 30 EGEDRM CC(C)[Si](C=C=Nc1[n-]c(=O)nc2[nH]c(=O)[nH]c21)(C(C)C)C(C)C ZINC001170216183 1384267281 /nfs/dbraw/zinc/26/72/81/1384267281.db2.gz GNCLONUZVGDATF-UHFFFAOYSA-N -1 0 347.495 3.307 20 30 EGEDRM CNC(=O)c1cc(C#N)cc(C)c1Nc1cccc(/C=C/C(=O)[O-])c1 ZINC001174497593 1385114126 /nfs/dbraw/zinc/11/41/26/1385114126.db2.gz ZYFRPDOVVKHNOR-VOTSOKGWSA-N -1 0 335.363 3.068 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1Nc1c(C#N)cnnc1-c1ccccc1 ZINC001174674849 1385132878 /nfs/dbraw/zinc/13/28/78/1385132878.db2.gz OLDGBWVHUNLONE-UHFFFAOYSA-N -1 0 346.346 3.466 20 30 EGEDRM CC[C@H](C)n1nc([N-]S(=O)(=O)c2ccc(CC#N)cc2)cc1C ZINC001319827645 1386321141 /nfs/dbraw/zinc/32/11/41/1386321141.db2.gz UOPGBLZVHKSGEX-LBPRGKRZSA-N -1 0 332.429 3.029 20 30 EGEDRM C=CC[C@@H](NC(=O)NCC1(c2cccc(C)c2)CCCC1)C(=O)[O-] ZINC001321144883 1386821050 /nfs/dbraw/zinc/82/10/50/1386821050.db2.gz KOFSEGVTCFSSFJ-MRXNPFEDSA-N -1 0 330.428 3.135 20 30 EGEDRM N#Cc1ccc(NC(=O)N[C@H](Cc2ccccc2Cl)C(=O)[O-])cc1 ZINC001321392510 1386893094 /nfs/dbraw/zinc/89/30/94/1386893094.db2.gz DJVRFTIGHYHLLI-OAHLLOKOSA-N -1 0 343.770 3.029 20 30 EGEDRM COC(=O)C[C@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])c1ccc(C)cc1 ZINC001321414482 1386897356 /nfs/dbraw/zinc/89/73/56/1386897356.db2.gz CBZLOPISJUFRPL-YLRSXTQRSA-N -1 0 342.351 3.332 20 30 EGEDRM C=CC[C@H](NC(=O)c1ccc2[nH]c3c(c2c1)CCCCC3)C(=O)[O-] ZINC001322601431 1387211761 /nfs/dbraw/zinc/21/17/61/1387211761.db2.gz REQGJVJEUIPXKY-KRWDZBQOSA-N -1 0 326.396 3.196 20 30 EGEDRM C=C1CCC(C(=O)[N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)CC1 ZINC001331445627 1389751834 /nfs/dbraw/zinc/75/18/34/1389751834.db2.gz HBUVFOQKFOJCIT-UHFFFAOYSA-N -1 0 345.823 3.172 20 30 EGEDRM C=CC[C@H](NC(=O)c1sc(-c2ccccc2)cc1OC)C(=O)[O-] ZINC001339861080 1390177717 /nfs/dbraw/zinc/17/77/17/1390177717.db2.gz FEMWGEIDEDRGAS-LBPRGKRZSA-N -1 0 331.393 3.183 20 30 EGEDRM N#CC(=C([O-])c1ncoc1C1CC1)c1nccn1Cc1ccccc1 ZINC001342164331 1390580443 /nfs/dbraw/zinc/58/04/43/1390580443.db2.gz HDTZQBFMWXCZLM-HNNXBMFYSA-N -1 0 332.363 3.287 20 30 EGEDRM C=CCn1c(-c2ccc(Cl)cc2O)nnc1N1CCCO[C@H](C)C1 ZINC001342358691 1390604927 /nfs/dbraw/zinc/60/49/27/1390604927.db2.gz LLUQGQRIYJNDCF-GFCCVEGCSA-N -1 0 348.834 3.105 20 30 EGEDRM CCC(CC)n1nccc1C([O-])=C(C#N)c1nc(N)c2ccccc2n1 ZINC001343355551 1390709304 /nfs/dbraw/zinc/70/93/04/1390709304.db2.gz SLXVGDCGRCQKOA-AWEZNQCLSA-N -1 0 348.410 3.260 20 30 EGEDRM C=CC[C@@H](NC(=O)N[C@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC001344466354 1390793040 /nfs/dbraw/zinc/79/30/40/1390793040.db2.gz ZVEFAYKGBLZMNT-BXKDBHETSA-N -1 0 330.306 3.095 20 30 EGEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1cc(F)cc2ccoc21 ZINC001346228269 1390916747 /nfs/dbraw/zinc/91/67/47/1390916747.db2.gz HEWMDHZVWYDACC-OAHLLOKOSA-N -1 0 328.343 3.343 20 30 EGEDRM C=C(C)CCC(=O)N[C@@H](CC(=O)[O-])c1cccc(Br)c1 ZINC001347537285 1391089107 /nfs/dbraw/zinc/08/91/07/1391089107.db2.gz ZAWNGVLKLFNYRO-ZDUSSCGKSA-N -1 0 340.217 3.437 20 30 EGEDRM C#CCOc1ccc(CNc2ccc(Cl)c(-c3nn[n-]n3)c2)cc1 ZINC000823856361 1428378403 /nfs/dbraw/zinc/37/84/03/1428378403.db2.gz PPJPUQLDPOZDPP-UHFFFAOYSA-N -1 0 339.786 3.144 20 30 EGEDRM C=CCOc1cccc(CNc2cc(-c3nn[n-]n3)ccc2OC)c1 ZINC000823932303 1428693199 /nfs/dbraw/zinc/69/31/99/1428693199.db2.gz TYNRBRLGGRAMDS-UHFFFAOYSA-N -1 0 337.383 3.052 20 30 EGEDRM O=C(C=Cc1nc(Cl)cs1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826403471 1429317750 /nfs/dbraw/zinc/31/77/50/1429317750.db2.gz TUCGPNVFUJMBNN-ARJAWSKDSA-N -1 0 335.751 3.012 20 30 EGEDRM CC[C@@H]1C[C@H](CN=Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CCO1 ZINC000825181730 1429656922 /nfs/dbraw/zinc/65/69/22/1429656922.db2.gz FXCPHJWYLJGDBO-ZYHUDNBSSA-N -1 0 334.811 3.123 20 30 EGEDRM C[C@@H](N=Cc1cc2ccccc2[nH]c1=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820308910 1429662064 /nfs/dbraw/zinc/66/20/64/1429662064.db2.gz ZKZZMBAZJILPJN-ZICWZVMQSA-N -1 0 344.378 3.301 20 30 EGEDRM Cc1nc(-c2nn[n-]n2)c(N=NC2CCC[C@@H]2c2ccc(F)cc2)o1 ZINC000737466845 1425486263 /nfs/dbraw/zinc/48/62/63/1425486263.db2.gz FAALBXCXSQKRPI-GFCCVEGCSA-N -1 0 341.350 3.038 20 30 EGEDRM Cc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)cc1F ZINC000826286282 1425936154 /nfs/dbraw/zinc/93/61/54/1425936154.db2.gz XMCCWUIZJIGEJD-DAXSKMNVSA-N -1 0 326.306 3.349 20 30 EGEDRM CC(N=Nc1c(F)cccc1F)c1ccc(-c2nn[n-]n2)cc1F ZINC000823953497 1426676507 /nfs/dbraw/zinc/67/65/07/1426676507.db2.gz CQVMVONOXWGTQR-UHFFFAOYSA-N -1 0 332.289 3.120 20 30 EGEDRM N#Cc1cccc(SCCCOc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822836932 1427227432 /nfs/dbraw/zinc/22/74/32/1427227432.db2.gz BAPIIQKHADHERZ-UHFFFAOYSA-N -1 0 337.408 3.300 20 30 EGEDRM C=C(C)CN(C)C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823873226 1427602935 /nfs/dbraw/zinc/60/29/35/1427602935.db2.gz KBSCEDJHVKDDSC-UHFFFAOYSA-N -1 0 349.394 3.307 20 30 EGEDRM CCCCCCCCCN(C)C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736448163 1427619140 /nfs/dbraw/zinc/61/91/40/1427619140.db2.gz KSLPODRGIREPBF-UHFFFAOYSA-N -1 0 330.436 3.084 20 30 EGEDRM N#Cc1ccc(F)c(CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)c1 ZINC000826385541 1428090013 /nfs/dbraw/zinc/09/00/13/1428090013.db2.gz QHJPAJLDUMCBFG-UHFFFAOYSA-N -1 0 345.341 3.038 20 30 EGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C1CCCCCC1 ZINC000735418945 1429892545 /nfs/dbraw/zinc/89/25/45/1429892545.db2.gz MFKQQDKKUAJJBD-UHFFFAOYSA-N -1 0 339.443 3.352 20 30 EGEDRM O=C(C=Cc1cnn(-c2ccccc2)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000826403558 1441810105 /nfs/dbraw/zinc/81/01/05/1441810105.db2.gz VUBAWYGHKLWCAR-SREVYHEPSA-N -1 0 348.391 3.010 20 30 EGEDRM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2cnc(C(C)C)s2)o1 ZINC000820202981 1441930130 /nfs/dbraw/zinc/93/01/30/1441930130.db2.gz NIUGSKRVJSWFGZ-UHFFFAOYSA-N -1 0 346.420 3.004 20 30 EGEDRM C=CC[C@H](C)NC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735409676 1442475426 /nfs/dbraw/zinc/47/54/26/1442475426.db2.gz IKSBRLDQSMMOFE-ZDUSSCGKSA-N -1 0 348.410 3.305 20 30 EGEDRM CCCCC[C@@H](CC)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000825266388 1443260438 /nfs/dbraw/zinc/26/04/38/1443260438.db2.gz FQRBKLUZKRPGHK-GFCCVEGCSA-N -1 0 326.404 3.283 20 30 EGEDRM Cc1cc(C)c2c(c1)OCC(=Cc1ccccc1-c1nn[n-]n1)C2=O ZINC000826263788 1446081083 /nfs/dbraw/zinc/08/10/83/1446081083.db2.gz QRFYFCRWFCRZHV-NTEUORMPSA-N -1 0 332.363 3.142 20 30 EGEDRM CCN(C)c1ccc(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821164406 1446863218 /nfs/dbraw/zinc/86/32/18/1446863218.db2.gz DSCORYVNOLGCPY-GHXNOFRVSA-N -1 0 333.395 3.219 20 30 EGEDRM Cc1nc(-c2nn[n-]n2)c(N=NC2CCC[C@H]2c2ccc(F)cc2)o1 ZINC000737466846 1447261438 /nfs/dbraw/zinc/26/14/38/1447261438.db2.gz FAALBXCXSQKRPI-LBPRGKRZSA-N -1 0 341.350 3.038 20 30 EGEDRM C#CCOc1cccc(NC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])c1 ZINC001602704886 971338205 /nfs/dbraw/zinc/33/82/05/971338205.db2.gz ZMUZRHHDYQMZIE-HNNXBMFYSA-N -1 0 332.400 3.100 20 30 EGEDRM C#CCOc1cccc(NC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])c1 ZINC001602704887 971339534 /nfs/dbraw/zinc/33/95/34/971339534.db2.gz ZMUZRHHDYQMZIE-OAHLLOKOSA-N -1 0 332.400 3.100 20 30 EGEDRM C=CC[C@@H](Cc1ccccc1)NC(=O)Nc1cncc(C(=O)[O-])c1 ZINC001602718417 971374372 /nfs/dbraw/zinc/37/43/72/971374372.db2.gz MCXLEMZGTXYDHL-HNNXBMFYSA-N -1 0 325.368 3.089 20 30 EGEDRM CCN(C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1)[C@@H](C)C(=O)[O-] ZINC001589705838 950284308 /nfs/dbraw/zinc/28/43/08/950284308.db2.gz BPKHBIZHOLWDHR-NSHDSACASA-N -1 0 333.388 3.062 20 30 EGEDRM CC(C)(C)[C@H](C(=O)[O-])C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 ZINC001602852372 971689132 /nfs/dbraw/zinc/68/91/32/971689132.db2.gz AEBKDEQDGDQFCE-ZDUSSCGKSA-N -1 0 343.408 3.367 20 30 EGEDRM CC[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)C(=O)[O-] ZINC001593619356 953520002 /nfs/dbraw/zinc/52/00/02/953520002.db2.gz PHGMEBOIJOCDPN-IRXDYDNUSA-N -1 0 337.379 3.327 20 30 EGEDRM CN(CCC(=O)[O-])C(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC001593735809 954335199 /nfs/dbraw/zinc/33/51/99/954335199.db2.gz IPWVOYQWCUFACE-UHFFFAOYSA-N -1 0 328.393 3.086 20 30 EGEDRM N#C[C@H](CCc1ccccc1)C(=O)NC1(C(=O)[O-])CCCCCC1 ZINC001594601624 956137716 /nfs/dbraw/zinc/13/77/16/956137716.db2.gz OZPKIQVQAOTJOR-INIZCTEOSA-N -1 0 328.412 3.053 20 30 EGEDRM N#CCSc1cccc(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])c1 ZINC001594610943 956208403 /nfs/dbraw/zinc/20/84/03/956208403.db2.gz DFBQJYZSPLNLJD-CQSZACIVSA-N -1 0 332.425 3.162 20 30 EGEDRM N#Cc1ccc(C2(C(=O)N[C@@H]3C[C@@H](C(=O)[O-])c4ccccc43)CC2)cc1 ZINC001594618359 956263786 /nfs/dbraw/zinc/26/37/86/956263786.db2.gz KQYZMGPSPFYQRN-QZTJIDSGSA-N -1 0 346.386 3.019 20 30 EGEDRM N#Cc1ccc(OC(F)F)c(NC(=O)c2coc(/C=C/C(=O)[O-])c2)c1 ZINC001594624159 956302270 /nfs/dbraw/zinc/30/22/70/956302270.db2.gz RRNUZIDGBQSIIW-DUXPYHPUSA-N -1 0 348.261 3.103 20 30 EGEDRM C[C@@]1(C(=O)[O-])CCCN1C(=O)c1cn(CCCC#N)c2ccccc12 ZINC001589188890 956585742 /nfs/dbraw/zinc/58/57/42/956585742.db2.gz LERZSUHCOJYSBX-IBGZPJMESA-N -1 0 339.395 3.024 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1 ZINC001588399201 958071812 /nfs/dbraw/zinc/07/18/12/958071812.db2.gz HFPABXNLVPHVIW-CSKARUKUSA-N -1 0 343.379 3.114 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)C1(c2cccc(Cl)c2)CCCCC1 ZINC001588400462 958082280 /nfs/dbraw/zinc/08/22/80/958082280.db2.gz YHRGHZLNWSLDJI-UHFFFAOYSA-N -1 0 333.815 3.088 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)N[C@H](CC(C)C)c1ccc(Cl)cc1 ZINC001588409772 958130851 /nfs/dbraw/zinc/13/08/51/958130851.db2.gz JKKWXCBZFJLMFC-OAHLLOKOSA-N -1 0 336.819 3.157 20 30 EGEDRM C#Cc1ccc(NC(=O)N2CCC[C@H](CCC(=O)[O-])C2)c(Cl)c1 ZINC001588438913 958307624 /nfs/dbraw/zinc/30/76/24/958307624.db2.gz JOINHAHRDPNTOK-CYBMUJFWSA-N -1 0 334.803 3.430 20 30 EGEDRM C=C[C@@H](CC(=O)N[C@@H](C(=O)[O-])c1ccc(F)cc1)c1ccccc1 ZINC001588451173 958405865 /nfs/dbraw/zinc/40/58/65/958405865.db2.gz OFNPUDDXAKTWLA-SCLBCKFNSA-N -1 0 327.355 3.428 20 30 EGEDRM O=C([O-])COc1ccc(/C=C/C(=O)c2ccc([O-])c(Cl)c2)cc1 ZINC000119265583 958466582 /nfs/dbraw/zinc/46/65/82/958466582.db2.gz DIUSIIODVAHVJY-XVNBXDOJSA-N -1 0 332.739 3.405 20 30 EGEDRM C=CCCO[C@@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1Br ZINC001588460139 958473356 /nfs/dbraw/zinc/47/33/56/958473356.db2.gz WKAHJEXLYBIODV-VIFPVBQESA-N -1 0 342.189 3.067 20 30 EGEDRM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001573329911 958513131 /nfs/dbraw/zinc/51/31/31/958513131.db2.gz PSEUJLACUIAFBC-UWWPHRKUSA-N -1 0 326.396 3.192 20 30 EGEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-] ZINC001573608685 959468837 /nfs/dbraw/zinc/46/88/37/959468837.db2.gz WLJUMTFLYYSNAV-CJNGLKHVSA-N -1 0 330.428 3.133 20 30 EGEDRM Cc1c2cc(C#N)ccc2sc1C(=O)NCCCCCC(=O)[O-] ZINC001594256844 959657318 /nfs/dbraw/zinc/65/73/18/959657318.db2.gz PTEYFHPCNDYOAQ-UHFFFAOYSA-N -1 0 330.409 3.456 20 30 EGEDRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC001573712167 959855943 /nfs/dbraw/zinc/85/59/43/959855943.db2.gz RENXGZBWPKXHKX-JXFKEZNVSA-N -1 0 347.414 3.412 20 30 EGEDRM CC[C@@H](CNC(=O)Nc1ccccc1C#Cc1ccccc1)C(=O)[O-] ZINC001573804243 960840540 /nfs/dbraw/zinc/84/05/40/960840540.db2.gz NYQOWZRVZOCQJB-INIZCTEOSA-N -1 0 336.391 3.319 20 30 EGEDRM C=CCO[C@H]1CCN([C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C1 ZINC001326547379 961106777 /nfs/dbraw/zinc/10/67/77/961106777.db2.gz NIVZIAQVARFWJE-FZMZJTMJSA-N -1 0 330.211 3.396 20 30 EGEDRM CC(C)(C)c1ccc([C@H](C#N)NC(=O)[C@H](C(=O)[O-])C(C)(C)C)cc1 ZINC001588739560 961154480 /nfs/dbraw/zinc/15/44/80/961154480.db2.gz IQOIUZNYUMVEPU-LSDHHAIUSA-N -1 0 330.428 3.412 20 30 EGEDRM Cc1cccc(C(=O)[O-])c1NC(=O)CSCc1ccc(C#N)cc1 ZINC001574389145 961155629 /nfs/dbraw/zinc/15/56/29/961155629.db2.gz LEKLNOWACORNNK-UHFFFAOYSA-N -1 0 340.404 3.437 20 30 EGEDRM N#Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CC[C@H]3C(=O)[O-])cc2)c1 ZINC001574489591 961705211 /nfs/dbraw/zinc/70/52/11/961705211.db2.gz KQPZKZZUXHVSPF-IAGOWNOFSA-N -1 0 336.347 3.400 20 30 EGEDRM C[C@@H](NC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1)c1ccc(C#N)cc1 ZINC001341353039 962131886 /nfs/dbraw/zinc/13/18/86/962131886.db2.gz JJETWZJTUVFWMN-FZKQIMNGSA-N -1 0 349.390 3.013 20 30 EGEDRM C[C@H](NC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1)c1cccc(C#N)c1 ZINC001353128239 962651868 /nfs/dbraw/zinc/65/18/68/962651868.db2.gz WCJCQZHHMOANKA-UGSOOPFHSA-N -1 0 349.390 3.013 20 30 EGEDRM C=CCC1(NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)CCCC1 ZINC001573352473 962986634 /nfs/dbraw/zinc/98/66/34/962986634.db2.gz CXHAVFIRFNOEGY-UHFFFAOYSA-N -1 0 343.832 3.205 20 30 EGEDRM C=CCN(C(=O)NCc1ccc(OCCCC(=O)[O-])cc1)C(C)C ZINC001573360797 963043139 /nfs/dbraw/zinc/04/31/39/963043139.db2.gz XCBQPLVKRNJZNS-UHFFFAOYSA-N -1 0 334.416 3.036 20 30 EGEDRM C=CCCC(=O)N1CC[C@H](C(=O)[O-])c2cc(Br)ccc21 ZINC000902324231 969535250 /nfs/dbraw/zinc/53/52/50/969535250.db2.gz BDGOWZBAJXUZEX-NSHDSACASA-N -1 0 338.201 3.320 20 30 EGEDRM N#CCSc1cccc(C(=O)Nc2ccc(C(=O)[O-])cc2F)c1 ZINC001605601579 973904706 /nfs/dbraw/zinc/90/47/06/973904706.db2.gz UJUUZQNAPCQIFK-UHFFFAOYSA-N -1 0 330.340 3.392 20 30 EGEDRM N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001605612996 973931237 /nfs/dbraw/zinc/93/12/37/973931237.db2.gz ZEKFQLWUPQVHEN-XTKXOIQPSA-N -1 0 336.347 3.056 20 30 EGEDRM CCN(C(=O)Nc1ccccc1S[C@@H](C)CC#N)[C@H](C)C(=O)[O-] ZINC001603715120 974131233 /nfs/dbraw/zinc/13/12/33/974131233.db2.gz BYYUIXNBGDGZIA-NWDGAFQWSA-N -1 0 335.429 3.408 20 30 EGEDRM CC(C)c1nc(C#N)c(N=NCc2ccc(C(=O)[O-])c(Cl)c2)o1 ZINC001592008476 976678547 /nfs/dbraw/zinc/67/85/47/976678547.db2.gz NDKRVPVFPVKSRW-UHFFFAOYSA-N -1 0 332.747 3.467 20 30 EGEDRM C[C@](CC(=O)[O-])(NC(=O)Nc1cccc(C#N)c1)c1cccc(F)c1 ZINC001592298831 977649680 /nfs/dbraw/zinc/64/96/80/977649680.db2.gz WCUCBXZFZRYOCO-GOSISDBHSA-N -1 0 341.342 3.209 20 30 EGEDRM O=C([O-])COc1ccc(/C=C2\Cc3c(cc(F)cc3F)C2=O)cc1 ZINC000751536488 978692735 /nfs/dbraw/zinc/69/27/35/978692735.db2.gz RECFPDRMEUTATP-VZUCSPMQSA-N -1 0 330.286 3.251 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1NN=C(C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000756900943 978701221 /nfs/dbraw/zinc/70/12/21/978701221.db2.gz FIFVTGVBKXADAQ-UHFFFAOYSA-N -1 0 343.339 3.446 20 30 EGEDRM O=C([O-])C[C@@H](NC(=O)c1ccc(C#Cc2ccccc2)cc1)C1CC1 ZINC000776634426 978763216 /nfs/dbraw/zinc/76/32/16/978763216.db2.gz ZKHOGODGMZVMMX-LJQANCHMSA-N -1 0 333.387 3.070 20 30 EGEDRM CC(=NNc1cccc(C(=O)[O-])c1)c1nnn(-c2ccc(C)cc2)c1C ZINC000814687718 978872355 /nfs/dbraw/zinc/87/23/55/978872355.db2.gz SFAKASWXFBKPFL-UHFFFAOYSA-N -1 0 349.394 3.418 20 30 EGEDRM CC(C)(C)OC(=O)N1CC2(CC(N=Nc3cccc(C(=O)[O-])c3)C2)C1 ZINC000814687267 978872690 /nfs/dbraw/zinc/87/26/90/978872690.db2.gz FJQARPIQEWZEHC-UHFFFAOYSA-N -1 0 345.399 3.184 20 30 EGEDRM CC[C@H](C#N)NC(=O)c1ccccc1SCc1occc1C(=O)[O-] ZINC000833636177 979212596 /nfs/dbraw/zinc/21/25/96/979212596.db2.gz KHUXWCVMHCMICX-LLVKDONJSA-N -1 0 344.392 3.302 20 30 EGEDRM CC(C)Cc1nc(C#N)c(N=NCc2ccc(C(=O)[O-])c(F)c2)o1 ZINC000853296817 979604620 /nfs/dbraw/zinc/60/46/20/979604620.db2.gz RPWRHGYNLWIENX-UHFFFAOYSA-N -1 0 330.319 3.028 20 30 EGEDRM C[C@H](Cc1ccc(NC(=O)c2cc(F)c(C#N)c(F)c2)cc1)C(=O)[O-] ZINC001592872245 979728010 /nfs/dbraw/zinc/72/80/10/979728010.db2.gz GPATWUSNMWHOCT-SNVBAGLBSA-N -1 0 344.317 3.352 20 30 EGEDRM CC[C@@H](OC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)C(=O)[O-] ZINC001595352309 980667574 /nfs/dbraw/zinc/66/75/74/980667574.db2.gz WITIWZCQVDGKSL-MRXNPFEDSA-N -1 0 325.320 3.371 20 30 EGEDRM CCC1CCC(NC(=O)c2ccc(Cl)c(C#N)c2)(C(=O)[O-])CC1 ZINC001595424801 981043461 /nfs/dbraw/zinc/04/34/61/981043461.db2.gz PUMKCPDCOLORMN-UHFFFAOYSA-N -1 0 334.803 3.365 20 30 EGEDRM C=CCCC[C@@H](C(=O)N[C@@H](CC(F)F)C(=O)[O-])c1ccccc1 ZINC000909774379 981615183 /nfs/dbraw/zinc/61/51/83/981615183.db2.gz JBIHSWBZBFDDJU-KGLIPLIRSA-N -1 0 325.355 3.351 20 30 EGEDRM CC[C@](C)(CC(=O)[O-])NC(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC001594821826 981973184 /nfs/dbraw/zinc/97/31/84/981973184.db2.gz LPIJJKVKSVATQE-OAQYLSRUSA-N -1 0 335.403 3.460 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1cc(F)ccc1Br)C(=O)[O-] ZINC000910914246 982161538 /nfs/dbraw/zinc/16/15/38/982161538.db2.gz DXQFHZSGEPDHCI-LBPRGKRZSA-N -1 0 344.180 3.128 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1sc(C)cc1OC(F)F)C(=O)[O-] ZINC000910914391 982161572 /nfs/dbraw/zinc/16/15/72/982161572.db2.gz KFDGJCJAGIAEKO-SECBINFHSA-N -1 0 333.356 3.197 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1oc(-c2ccccc2)nc1C)C(=O)[O-] ZINC000910913427 982161758 /nfs/dbraw/zinc/16/17/58/982161758.db2.gz WJNSGHZCPZZKED-AWEZNQCLSA-N -1 0 328.368 3.189 20 30 EGEDRM C=CCCC[C@@H](NC(=O)CCc1ccc2ccccc2n1)C(=O)[O-] ZINC000910914487 982162513 /nfs/dbraw/zinc/16/25/13/982162513.db2.gz HXNHPDQVFRLSSY-QGZVFWFLSA-N -1 0 326.396 3.093 20 30 EGEDRM C=CCCC[C@@H](NC(=O)Cc1csc(-c2ccc(C)o2)n1)C(=O)[O-] ZINC000910919272 982164043 /nfs/dbraw/zinc/16/40/43/982164043.db2.gz WEFKDMBBNIAHTH-CYBMUJFWSA-N -1 0 348.424 3.180 20 30 EGEDRM CCCCCCCCNC(=O)N[C@@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001595704388 982274067 /nfs/dbraw/zinc/27/40/67/982274067.db2.gz JHBJVQORBDWKJB-CYBMUJFWSA-N -1 0 336.436 3.076 20 30 EGEDRM CCCCCCCCNC(=O)N[C@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001595704389 982274186 /nfs/dbraw/zinc/27/41/86/982274186.db2.gz JHBJVQORBDWKJB-ZDUSSCGKSA-N -1 0 336.436 3.076 20 30 EGEDRM CCCCCCCCCC(=O)N1CCC2(CC(C(=O)[O-])=NO2)CC1 ZINC001595704807 982280073 /nfs/dbraw/zinc/28/00/73/982280073.db2.gz HTMVPVFWZQALDJ-UHFFFAOYSA-N -1 0 338.448 3.349 20 30 EGEDRM O=C([O-])COc1ccc(CN=Nc2ncccc2C(F)(F)F)cc1 ZINC000915050330 982663134 /nfs/dbraw/zinc/66/31/34/982663134.db2.gz KKBFIYVZJLZKTP-UHFFFAOYSA-N -1 0 339.273 3.010 20 30 EGEDRM CCCc1c(C(=O)N[C@H](C)c2ccc(C#N)cc2)[nH]c(C)c1C(=O)[O-] ZINC001596036826 983315121 /nfs/dbraw/zinc/31/51/21/983315121.db2.gz QCDIUNZONDFFPT-LLVKDONJSA-N -1 0 339.395 3.337 20 30 EGEDRM C#C[C@H](Nc1ccc(C(=O)[O-])nc1C#N)c1ccc(Cl)cc1F ZINC001588375647 983346393 /nfs/dbraw/zinc/34/63/93/983346393.db2.gz DSZAVCJIUSYZSZ-LBPRGKRZSA-N -1 0 329.718 3.230 20 30 EGEDRM C#C[C@H](N[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl)C1CCOCC1 ZINC001588376892 983354614 /nfs/dbraw/zinc/35/46/14/983354614.db2.gz HGYCMXRUDDBNMT-LSDHHAIUSA-N -1 0 342.222 3.137 20 30 EGEDRM C#CC1CCN(C(=O)Nc2cccc(SCCC(=O)[O-])c2)CC1 ZINC001588382764 983373992 /nfs/dbraw/zinc/37/39/92/983373992.db2.gz HPOVFICQPPSDFQ-UHFFFAOYSA-N -1 0 332.425 3.131 20 30 EGEDRM C#CC[C@H]1CCCN(C(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)C1 ZINC001588431484 983465201 /nfs/dbraw/zinc/46/52/01/983465201.db2.gz JJKPUZQDABFVCM-JTQLQIEISA-N -1 0 338.766 3.445 20 30 EGEDRM C#CC[C@H]1CCN(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)C1 ZINC001588433549 983468251 /nfs/dbraw/zinc/46/82/51/983468251.db2.gz AOQCOMZSFWZZBL-AWEZNQCLSA-N -1 0 346.452 3.272 20 30 EGEDRM C#CC[C@@H]1CCCN(C(=O)Nc2cccc(C(=O)[O-])c2OC(C)C)C1 ZINC001588433957 983468426 /nfs/dbraw/zinc/46/84/26/983468426.db2.gz DLLSHDZUJIGUCP-CQSZACIVSA-N -1 0 344.411 3.439 20 30 EGEDRM C#CCCOc1ccc(C(=O)Nc2sc(C)cc2C(=O)[O-])cc1 ZINC001588458938 983484099 /nfs/dbraw/zinc/48/40/99/983484099.db2.gz VKMJPVHAERONHS-UHFFFAOYSA-N -1 0 329.377 3.409 20 30 EGEDRM CCN(C(=O)c1cc(C(=O)[O-])oc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC001596160409 983523563 /nfs/dbraw/zinc/52/35/63/983523563.db2.gz AYHLWHPDQASINA-NSHDSACASA-N -1 0 326.352 3.381 20 30 EGEDRM C#CCOc1cccc([C@@H](C)OC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)c1 ZINC001588497987 983542526 /nfs/dbraw/zinc/54/25/26/983542526.db2.gz OMOOGDLNTSFQFU-RBSFLKMASA-N -1 0 330.380 3.194 20 30 EGEDRM C#Cc1ccc(C(=O)N[C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)cc1 ZINC001588511241 983558699 /nfs/dbraw/zinc/55/86/99/983558699.db2.gz UFWPENFAKBVZGJ-HNNXBMFYSA-N -1 0 347.292 3.242 20 30 EGEDRM C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001588536084 983592119 /nfs/dbraw/zinc/59/21/19/983592119.db2.gz OKDJQARQQSKGPE-IINYFYTJSA-N -1 0 338.791 3.141 20 30 EGEDRM C=C(C)C[C@H](C)C(=O)OCC(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC001588536579 983594785 /nfs/dbraw/zinc/59/47/85/983594785.db2.gz RSUVMYYTPHVIQO-VIFPVBQESA-N -1 0 339.413 3.147 20 30 EGEDRM C=C(C)C[C@H](NC(=O)CCOc1cc(Cl)ccc1Cl)C(=O)[O-] ZINC001588540899 983605238 /nfs/dbraw/zinc/60/52/38/983605238.db2.gz OIMNGAWBYQOUBD-LBPRGKRZSA-N -1 0 346.210 3.298 20 30 EGEDRM C=C(C)C[C@H](NC(=O)c1ccc(Br)c(CC)c1)C(=O)[O-] ZINC001588546555 983615805 /nfs/dbraw/zinc/61/58/05/983615805.db2.gz NGCJGAIVANYHRY-ZDUSSCGKSA-N -1 0 340.217 3.161 20 30 EGEDRM C=C(C)Cc1cccc(C(=O)[O-])c1OCc1nnc(C)n1C1CC1 ZINC001588576835 983653964 /nfs/dbraw/zinc/65/39/64/983653964.db2.gz BBLVREGHMZXSOV-UHFFFAOYSA-N -1 0 327.384 3.317 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N(Cc1ccc(F)cc1)CC(F)(F)F ZINC001588612132 983701853 /nfs/dbraw/zinc/70/18/53/983701853.db2.gz JJRQSYFBPMTNAY-UHFFFAOYSA-N -1 0 333.281 3.138 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1 ZINC001588619634 983718075 /nfs/dbraw/zinc/71/80/75/983718075.db2.gz ZXTVRYZAUHNPDF-GFCCVEGCSA-N -1 0 327.167 3.095 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H](C)c1ccc(SCCOC)cc1 ZINC001588621315 983718704 /nfs/dbraw/zinc/71/87/04/983718704.db2.gz CCIXAQJDMHZCJM-ZDUSSCGKSA-N -1 0 337.441 3.023 20 30 EGEDRM C=C[C@@](C)(CCOC)C(=O)NC[C@@H](C(=O)[O-])C1CCCCCC1 ZINC001588681644 983841638 /nfs/dbraw/zinc/84/16/38/983841638.db2.gz BSRJHJQUEOMCOW-QAPCUYQASA-N -1 0 325.449 3.003 20 30 EGEDRM C=C[C@H](CC(=O)Nc1cc2c(cc1C(=O)[O-])OCO2)c1ccccc1 ZINC001588691329 983879913 /nfs/dbraw/zinc/87/99/13/983879913.db2.gz XYBSSKSTVULILR-GFCCVEGCSA-N -1 0 339.347 3.412 20 30 EGEDRM C=CC1CCN(C(=O)NC[C@](CC)(C(=O)[O-])c2ccccc2)CC1 ZINC001588720139 983964607 /nfs/dbraw/zinc/96/46/07/983964607.db2.gz LGZJTZBYIVDTIC-IBGZPJMESA-N -1 0 330.428 3.027 20 30 EGEDRM C=CC[C@H](Sc1nnc(Nc2ccc(OC)cc2)s1)C(=O)[O-] ZINC001588761726 984114181 /nfs/dbraw/zinc/11/41/81/984114181.db2.gz APAYYCUDNLVUSH-NSHDSACASA-N -1 0 337.426 3.412 20 30 EGEDRM C=CCC1(C(=O)N[C@@H]2CCCn3nc(C(=O)[O-])cc32)CCCCC1 ZINC001588762976 984118040 /nfs/dbraw/zinc/11/80/40/984118040.db2.gz PARAAUZWSDWTHD-CYBMUJFWSA-N -1 0 331.416 3.059 20 30 EGEDRM C=CCC1(CNC(=O)NCc2cccc(OCC(=O)[O-])c2)CCCC1 ZINC001588767199 984128971 /nfs/dbraw/zinc/12/89/71/984128971.db2.gz OPOJKOSSQWBDCB-UHFFFAOYSA-N -1 0 346.427 3.086 20 30 EGEDRM C=CC[C@H]1CCN(C(=O)Nc2ccc(O[C@@H](C)C(=O)[O-])c(F)c2)C1 ZINC001588772285 984141905 /nfs/dbraw/zinc/14/19/05/984141905.db2.gz CEZNYZDXWRLSBA-RYUDHWBXSA-N -1 0 336.363 3.108 20 30 EGEDRM C=CC[C@@H]1CCN1C(=O)Nc1cccc(C(=O)[O-])c1Br ZINC001588772851 984145216 /nfs/dbraw/zinc/14/52/16/984145216.db2.gz OIMUMIYKDBBOJF-SECBINFHSA-N -1 0 339.189 3.330 20 30 EGEDRM C=CC[C@H]1CCN1CC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](C)C2 ZINC001588772977 984145933 /nfs/dbraw/zinc/14/59/33/984145933.db2.gz SXWGFDSSASRFIF-NEPJUHHUSA-N -1 0 348.468 3.160 20 30 EGEDRM C=CCCC[C@H](NC(=O)[C@@H](C)Sc1ccc(F)cc1)C(=O)[O-] ZINC001588787829 984188887 /nfs/dbraw/zinc/18/88/87/984188887.db2.gz YJKUTWUDADSEJH-RISCZKNCSA-N -1 0 325.405 3.232 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1cc(C)sc1Br)C(=O)[O-] ZINC001588792696 984212009 /nfs/dbraw/zinc/21/20/09/984212009.db2.gz LQTPCMWFNINAMH-SNVBAGLBSA-N -1 0 346.246 3.358 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1ccn(C)c1-c1ccccc1)C(=O)[O-] ZINC001588792680 984212249 /nfs/dbraw/zinc/21/22/49/984212249.db2.gz CHFOUYOCMSJYNM-INIZCTEOSA-N -1 0 326.396 3.231 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1ccc(C(=O)OC(C)(C)C)cc1)C(=O)[O-] ZINC001588793294 984217817 /nfs/dbraw/zinc/21/78/17/984217817.db2.gz VSTXHTOZJVYCJU-OAHLLOKOSA-N -1 0 347.411 3.181 20 30 EGEDRM C=CCCC[C@@H](NS(=O)(=O)c1c(C)ccc2ccccc21)C(=O)[O-] ZINC001588798413 984236034 /nfs/dbraw/zinc/23/60/34/984236034.db2.gz DSNGIHXANUPZKQ-MRXNPFEDSA-N -1 0 347.436 3.236 20 30 EGEDRM C=CCCCNC(=O)N[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001588803995 984253320 /nfs/dbraw/zinc/25/33/20/984253320.db2.gz SQAVPKKXNIAQLT-GFCCVEGCSA-N -1 0 330.306 3.254 20 30 EGEDRM C=CCCN(C)C(=O)Nc1cc(Br)c(F)cc1C(=O)[O-] ZINC001588805956 984256815 /nfs/dbraw/zinc/25/68/15/984256815.db2.gz VVICEJBENOYDDC-UHFFFAOYSA-N -1 0 345.168 3.326 20 30 EGEDRM C=CCCOCCNC(=O)Nc1cccc2cc(C(=O)[O-])sc21 ZINC001588813615 984270186 /nfs/dbraw/zinc/27/01/86/984270186.db2.gz XEDYPNMOBDHHPZ-UHFFFAOYSA-N -1 0 334.397 3.314 20 30 EGEDRM C=CCN(C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)F)C1CC1 ZINC001588820527 984285057 /nfs/dbraw/zinc/28/50/57/984285057.db2.gz IRDYXBMTAMGWIU-UHFFFAOYSA-N -1 0 340.326 3.211 20 30 EGEDRM C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C ZINC001588831724 984316175 /nfs/dbraw/zinc/31/61/75/984316175.db2.gz LZOBDUNEOJROHA-UHFFFAOYSA-N -1 0 349.383 3.214 20 30 EGEDRM C=CCOCCCC(=O)Nc1cc(Br)ccc1C(=O)[O-] ZINC001588867073 984429841 /nfs/dbraw/zinc/42/98/41/984429841.db2.gz VYRXUFVNGLMQPX-UHFFFAOYSA-N -1 0 342.189 3.069 20 30 EGEDRM C=CCOc1ccc(C(=O)N[C@](C)(C(=O)[O-])c2ccc(F)cc2)cc1 ZINC001588869465 984438932 /nfs/dbraw/zinc/43/89/32/984438932.db2.gz CHHWBNOYPRYMCI-IBGZPJMESA-N -1 0 343.354 3.120 20 30 EGEDRM C=CCOc1ccc(COC(=O)/C=C/c2cc(C(=O)[O-])co2)cc1 ZINC001588872743 984441947 /nfs/dbraw/zinc/44/19/47/984441947.db2.gz GNGLHIJDXZEDEW-BQYQJAHWSA-N -1 0 328.320 3.299 20 30 EGEDRM C=CCOc1ccc(OC(=O)[C@@]2(C(=O)[O-])C[C@@H]2c2ccccc2)cc1 ZINC001588872861 984442742 /nfs/dbraw/zinc/44/27/42/984442742.db2.gz ODSPNPYXVJYLRY-XLIONFOSSA-N -1 0 338.359 3.415 20 30 EGEDRM C=CCOc1ccc(CC(=O)Oc2c(OC)cccc2C(=O)[O-])cc1 ZINC001588874164 984447927 /nfs/dbraw/zinc/44/79/27/984447927.db2.gz YUDUTFQSJNAEIQ-UHFFFAOYSA-N -1 0 342.347 3.106 20 30 EGEDRM C=CCOc1ccc(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)cc1 ZINC001588875119 984450982 /nfs/dbraw/zinc/45/09/82/984450982.db2.gz WQHRLDOGRQBLSQ-UHFFFAOYSA-N -1 0 341.363 3.357 20 30 EGEDRM C=CCOc1ccccc1C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC001588877207 984451790 /nfs/dbraw/zinc/45/17/90/984451790.db2.gz BXONYEMSKIOTOO-UHFFFAOYSA-N -1 0 341.363 3.357 20 30 EGEDRM CCOC(=O)[C@@H]1C/C(=C\c2ccoc2C(=O)[O-])C(=O)c2ccccc21 ZINC001596567973 984454037 /nfs/dbraw/zinc/45/40/37/984454037.db2.gz DDXYKIFUKYWMEM-SAAWKEMMSA-N -1 0 340.331 3.295 20 30 EGEDRM C=CCOc1cccnc1C(=O)Oc1ccc(C(=O)[O-])c(Cl)c1 ZINC001588879183 984456787 /nfs/dbraw/zinc/45/67/87/984456787.db2.gz VFILFJVBPIGAMX-UHFFFAOYSA-N -1 0 333.727 3.217 20 30 EGEDRM C=CCSc1ccccc1C(=O)NCc1cc(C)c(C(=O)[O-])o1 ZINC001588879510 984457809 /nfs/dbraw/zinc/45/78/09/984457809.db2.gz BXXWZZDVIDHWKG-UHFFFAOYSA-N -1 0 331.393 3.494 20 30 EGEDRM C=CCn1c(C2CCCCC2)nnc1N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001588897621 984511526 /nfs/dbraw/zinc/51/15/26/984511526.db2.gz SIYUIWVOWKDYFK-JKSUJKDBSA-N -1 0 344.459 3.059 20 30 EGEDRM C=CCn1c(N(C)Cc2ccc(C(=O)[O-])cc2)nnc1C(C)(C)F ZINC001588904509 984530060 /nfs/dbraw/zinc/53/00/60/984530060.db2.gz UKZFYFUWULMMQC-UHFFFAOYSA-N -1 0 332.379 3.003 20 30 EGEDRM C=CCn1cc2ccc(NC(=O)c3oc(C(=O)[O-])cc3C)cc2n1 ZINC001588909397 984544245 /nfs/dbraw/zinc/54/42/45/984544245.db2.gz SELGLGCWPCOHFB-UHFFFAOYSA-N -1 0 325.324 3.074 20 30 EGEDRM CC#CCCCC(=O)NC[C@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC001588925504 984587651 /nfs/dbraw/zinc/58/76/51/984587651.db2.gz RUTBLSGIAUECCD-SFHVURJKSA-N -1 0 337.419 3.393 20 30 EGEDRM C[C@@H](C#N)OCCNc1cc(Br)cc(C(=O)[O-])c1Cl ZINC001589331650 986189822 /nfs/dbraw/zinc/18/98/22/986189822.db2.gz LCPMVBQTOXXZFH-ZETCQYMHSA-N -1 0 347.596 3.141 20 30 EGEDRM CCOc1ccc(C[C@@H](C)CNc2ccc(C(=O)[O-])nc2C#N)cc1 ZINC001597085207 986649580 /nfs/dbraw/zinc/64/95/80/986649580.db2.gz QSHCSKLZXVMBBB-CYBMUJFWSA-N -1 0 339.395 3.341 20 30 EGEDRM CCOc1ccc(NC(=O)c2ccc(C)c(C#N)c2)c(C(=O)[O-])c1F ZINC001597123071 986822501 /nfs/dbraw/zinc/82/25/01/986822501.db2.gz PTFACIGZAXFMDV-UHFFFAOYSA-N -1 0 342.326 3.355 20 30 EGEDRM CC[C@@H](C#N)Oc1cccc(CNc2ccc(C(=O)[O-])c(OC)n2)c1 ZINC001594724690 987221831 /nfs/dbraw/zinc/22/18/31/987221831.db2.gz AYIWZFDTPPRCMF-ZDUSSCGKSA-N -1 0 341.367 3.081 20 30 EGEDRM CC(C)(C#N)c1ccc(C(=O)N2CCC(CCC(=O)[O-])CC2)cc1 ZINC001589558657 987310859 /nfs/dbraw/zinc/31/08/59/987310859.db2.gz SIPPGPQWZKSBIZ-UHFFFAOYSA-N -1 0 328.412 3.205 20 30 EGEDRM CC(C)(C(=O)[O-])[C@@H](NC(=O)CC#Cc1ccccc1)c1ccccc1 ZINC001589590723 987393695 /nfs/dbraw/zinc/39/36/95/987393695.db2.gz DAMUVJICDXDFRD-IBGZPJMESA-N -1 0 335.403 3.397 20 30 EGEDRM CC(C)(C(=O)OCc1ccc(C(=O)[O-])cc1)c1cc(F)cc(C#N)c1 ZINC001589680697 987705472 /nfs/dbraw/zinc/70/54/72/987705472.db2.gz ACOIURBPTKRODV-UHFFFAOYSA-N -1 0 341.338 3.417 20 30 EGEDRM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)c2coc(C#N)c2)cc1 ZINC001590480965 990071273 /nfs/dbraw/zinc/07/12/73/990071273.db2.gz XXAFCYQCTANUGV-INIZCTEOSA-N -1 0 340.379 3.395 20 30 EGEDRM CC(C)[C@H]1C[C@H](CC(=O)OCc2cccc(C(=O)[O-])c2C#N)CCO1 ZINC001591072554 991535453 /nfs/dbraw/zinc/53/54/53/991535453.db2.gz NOFZBFJJWWMOSW-CXAGYDPISA-N -1 0 345.395 3.141 20 30 EGEDRM CC(C)C[C@@H](NC(=O)N1CCC(C#N)(C(=O)[O-])CC1)c1cccs1 ZINC001591178694 991977341 /nfs/dbraw/zinc/97/73/41/991977341.db2.gz TXQCGPHKORKSBO-CYBMUJFWSA-N -1 0 349.456 3.235 20 30 EGEDRM CN(CCC#N)C(=O)Nc1ccc(Cl)cc1SCCC(=O)[O-] ZINC001598468216 991983692 /nfs/dbraw/zinc/98/36/92/991983692.db2.gz KAQXRQZRRWUKNV-UHFFFAOYSA-N -1 0 341.820 3.284 20 30 EGEDRM CN(Cc1ccc(C#N)cc1)c1cc(C(F)(F)F)c(C(=O)[O-])cn1 ZINC001598509307 992549668 /nfs/dbraw/zinc/54/96/68/992549668.db2.gz PFKVRUUZLAZRJP-UHFFFAOYSA-N -1 0 335.285 3.307 20 30 EGEDRM C[C@@H](Nc1ncc(C#N)cc1Cl)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593373353 995065699 /nfs/dbraw/zinc/06/56/99/995065699.db2.gz BNPPAKGWCQDXDY-RISCZKNCSA-N -1 0 329.787 3.351 20 30 EGEDRM C[C@H](Oc1ccccc1/C=C1\CCc2scnc2C1=O)C(=O)[O-] ZINC001593645380 995973734 /nfs/dbraw/zinc/97/37/34/995973734.db2.gz RSTPAUWSTWXZNG-MJWAUXSNSA-N -1 0 329.377 3.208 20 30 EGEDRM C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCCCCCCC(=O)[O-] ZINC001593698069 996160659 /nfs/dbraw/zinc/16/06/59/996160659.db2.gz DRQOEKFWJWTQBH-AWEZNQCLSA-N -1 0 331.416 3.296 20 30 EGEDRM COc1cc(/C=C\C(=O)[O-])ccc1Oc1cc(C#N)nc(C2CC2)n1 ZINC001599399318 997186537 /nfs/dbraw/zinc/18/65/37/997186537.db2.gz GJJIRLLNAJPHJN-CLTKARDFSA-N -1 0 337.335 3.124 20 30 EGEDRM COCCCOc1cccc(/C=C/C(=O)c2cc(C(=O)[O-])co2)c1 ZINC001599228421 997800893 /nfs/dbraw/zinc/80/08/93/997800893.db2.gz AYUFWLXHTVNADA-VOTSOKGWSA-N -1 0 330.336 3.289 20 30 EGEDRM COc1ccc(/C=C/C(=O)[O-])cc1OC(=O)c1ccc(C)c(C#N)c1 ZINC001599541358 997848905 /nfs/dbraw/zinc/84/89/05/997848905.db2.gz BUDFURXQMYUQPA-VMPITWQZSA-N -1 0 337.331 3.192 20 30 EGEDRM COc1cc(C(=O)Nc2c(C)c(C(=O)[O-])ccc2Cl)ccc1C#N ZINC001599355117 998165757 /nfs/dbraw/zinc/16/57/57/998165757.db2.gz VPUJHJJBJDRVJQ-UHFFFAOYSA-N -1 0 344.754 3.479 20 30 EGEDRM COc1cc(Oc2nc(C(F)(F)F)ccc2C#N)ccc1C(=O)[O-] ZINC001599457566 998213188 /nfs/dbraw/zinc/21/31/88/998213188.db2.gz KDLGKGNRQFTIDF-UHFFFAOYSA-N -1 0 338.241 3.471 20 30 EGEDRM C[C@@H]1CC(=O)N(C)c2ccc(N[C@@H](C(=O)[O-])c3cccc(C#N)c3)cc21 ZINC001594198743 998769762 /nfs/dbraw/zinc/76/97/62/998769762.db2.gz OZAAUZGVNPIXMW-CWTRNNRKSA-N -1 0 349.390 3.266 20 30 EGEDRM CC1CC(C#N)(C(=O)Nc2nc(C3CCCC3)c(C(=O)[O-])s2)C1 ZINC001594200955 998775937 /nfs/dbraw/zinc/77/59/37/998775937.db2.gz SNZKQTLFPMHAPY-UHFFFAOYSA-N -1 0 333.413 3.377 20 30 EGEDRM CCN(C)[C@H](C(=O)[N-]S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000097033625 284368111 /nfs/dbraw/zinc/36/81/11/284368111.db2.gz LDSISWSLXARUDM-INIZCTEOSA-N -1 0 332.425 3.025 20 30 EGEDRM N#Cc1cc([N-]S(=O)(=O)c2c(F)cccc2F)nc2ccccc12 ZINC000351219912 144260031 /nfs/dbraw/zinc/26/00/31/144260031.db2.gz ICVMHSFLDQCILL-UHFFFAOYSA-N -1 0 345.330 3.185 20 30 EGEDRM CCOc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000340977393 163706416 /nfs/dbraw/zinc/70/64/16/163706416.db2.gz PBKKPGVYRSDMCS-UHFFFAOYSA-N -1 0 326.761 3.004 20 30 EGEDRM CCc1ccc2nc([N-]S(=O)(=O)c3ccc(C#N)o3)sc2c1 ZINC000342454735 163883815 /nfs/dbraw/zinc/88/38/15/163883815.db2.gz VXEHECXFZCIJQR-UHFFFAOYSA-N -1 0 333.394 3.124 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2cc(C)c(N(C)C)cc2C#N)s1 ZINC000357487636 166692843 /nfs/dbraw/zinc/69/28/43/166692843.db2.gz TWENUOQJWKITRW-UHFFFAOYSA-N -1 0 335.454 3.103 20 30 EGEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1ccc(Cl)c2ncccc12 ZINC000359723373 167215151 /nfs/dbraw/zinc/21/51/51/167215151.db2.gz IYBJRTDRAPYEJO-UHFFFAOYSA-N -1 0 337.770 3.035 20 30 EGEDRM Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc(C#N)o3)c2)oc1C ZINC000361133016 167532095 /nfs/dbraw/zinc/53/20/95/167532095.db2.gz UJOXPTOKQPBLJF-UHFFFAOYSA-N -1 0 343.364 3.224 20 30 EGEDRM N#Cc1ccc(C(=O)N=c2[n-]nc(-c3ccccc3Cl)s2)s1 ZINC000486665747 269959123 /nfs/dbraw/zinc/95/91/23/269959123.db2.gz RBAOLBBSNCMVHK-UHFFFAOYSA-N -1 0 346.824 3.466 20 30 EGEDRM CCc1nc(=NC2CCC(Oc3ccccc3C#N)CC2)s[n-]1 ZINC000426877948 270049814 /nfs/dbraw/zinc/04/98/14/270049814.db2.gz BJXBUSWDJJILSI-UHFFFAOYSA-N -1 0 328.441 3.196 20 30 EGEDRM N#Cc1ccc2c(c1)N(C(=O)c1cc(Br)ccc1[O-])CC2 ZINC000436711875 270051552 /nfs/dbraw/zinc/05/15/52/270051552.db2.gz CEPJHJOIWFSLOQ-UHFFFAOYSA-N -1 0 343.180 3.229 20 30 EGEDRM CCOc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1OC ZINC000184813707 266308570 /nfs/dbraw/zinc/30/85/70/266308570.db2.gz RFPUWLHLPUSEFM-UHFFFAOYSA-N -1 0 346.408 3.075 20 30 EGEDRM CCOc1cc2c(cc1NC(=O)c1ccc(C#N)c([O-])c1)O[C@@H](C)C2 ZINC000188237949 266309990 /nfs/dbraw/zinc/30/99/90/266309990.db2.gz WYUSHBVNWLJXTK-NSHDSACASA-N -1 0 338.363 3.238 20 30 EGEDRM CN(Cc1ccc(C#N)cc1)C(=O)c1cccc(Br)c1[O-] ZINC000517347658 267314211 /nfs/dbraw/zinc/31/42/11/267314211.db2.gz BVPBPYWBMFKQTL-UHFFFAOYSA-N -1 0 345.196 3.299 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2ccc(-n3ccnc3)c(Cl)c2)cc1[O-] ZINC000187726118 268046755 /nfs/dbraw/zinc/04/67/55/268046755.db2.gz MIRZYWULZVWCHN-UHFFFAOYSA-N -1 0 338.754 3.355 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2ccnc(Sc3ccccn3)c2)cc1[O-] ZINC000442953581 268205702 /nfs/dbraw/zinc/20/57/02/268205702.db2.gz YFFXJGCDUWQWCO-UHFFFAOYSA-N -1 0 348.387 3.457 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2O)cc1Cl ZINC000132449184 268207314 /nfs/dbraw/zinc/20/73/14/268207314.db2.gz ZEOPIGCHFQTHNU-UHFFFAOYSA-N -1 0 343.191 3.371 20 30 EGEDRM N#Cc1nc(NC(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)[n-]c1C#N ZINC000175293382 268324099 /nfs/dbraw/zinc/32/40/99/268324099.db2.gz CMCYAYVYHKBSSS-MNOVXSKESA-N -1 0 346.177 3.202 20 30 EGEDRM CCCCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2F)cn1 ZINC000547822616 314943573 /nfs/dbraw/zinc/94/35/73/314943573.db2.gz AUQCTXZZDJTKGD-UHFFFAOYSA-N -1 0 349.387 3.072 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc3ccncc32)cc1F ZINC000555621691 315394864 /nfs/dbraw/zinc/39/48/64/315394864.db2.gz JOTOSXQOXRNITN-UHFFFAOYSA-N -1 0 327.340 3.046 20 30 EGEDRM O=C([N-]S(=O)(=O)C1CCCCC1)c1ccc(Br)cc1 ZINC000049513447 454550034 /nfs/dbraw/zinc/55/00/34/454550034.db2.gz GKYMXGUMWNESEG-UHFFFAOYSA-N -1 0 346.246 3.416 20 30 EGEDRM Cc1cc(F)cc2c1ncc(C#N)c2N1CCC[C@H](CC(=O)[O-])C1 ZINC000563517213 316032042 /nfs/dbraw/zinc/03/20/42/316032042.db2.gz JHKFBHBCJLKLOM-GFCCVEGCSA-N -1 0 327.359 3.245 20 30 EGEDRM C[C@@H]1CCN(c2nc3c(cc2C#N)CCCC3(C)C)C[C@@H]1C(=O)[O-] ZINC000564971473 316239344 /nfs/dbraw/zinc/23/93/44/316239344.db2.gz MMTKPBGZULLQFK-DOMZBBRYSA-N -1 0 327.428 3.114 20 30 EGEDRM COc1cc(C#N)ccc1OCc1nc(-c2ccc(O)cc2F)no1 ZINC000350809606 324122194 /nfs/dbraw/zinc/12/21/94/324122194.db2.gz AUNZXVPTOCLVOS-UHFFFAOYSA-N -1 0 341.298 3.041 20 30 EGEDRM CCc1cc(C#N)c([N-]S(=O)(=O)c2cc(C)ccc2OC)s1 ZINC000576758631 324676199 /nfs/dbraw/zinc/67/61/99/324676199.db2.gz AOQWNIUXGJSWEF-UHFFFAOYSA-N -1 0 336.438 3.300 20 30 EGEDRM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2F)c2cccnc12 ZINC000577572135 324827741 /nfs/dbraw/zinc/82/77/41/324827741.db2.gz FCLYGGDMVYYXGQ-UHFFFAOYSA-N -1 0 341.367 3.355 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)N2CCSC23CCCCC3)cc1C#N ZINC000581319510 325351704 /nfs/dbraw/zinc/35/17/04/325351704.db2.gz CUNIDMCNHRGJJU-UHFFFAOYSA-N -1 0 349.481 3.230 20 30 EGEDRM CC(C)c1ccc(-n2cc([O-])c(C(=O)NCCCCC#N)n2)cc1 ZINC000173134885 455237410 /nfs/dbraw/zinc/23/74/10/455237410.db2.gz CCAZLMACMBKYBW-UHFFFAOYSA-N -1 0 326.400 3.125 20 30 EGEDRM O=C([O-])c1cccc(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)c1 ZINC000238126277 455255868 /nfs/dbraw/zinc/25/58/68/455255868.db2.gz FOERAOPREAEFNY-UHFFFAOYSA-N -1 0 347.292 3.185 20 30 EGEDRM Cc1cccc([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c1C#N ZINC000181147990 455294239 /nfs/dbraw/zinc/29/42/39/455294239.db2.gz WFJWZLPASZCGOE-UHFFFAOYSA-N -1 0 345.380 3.193 20 30 EGEDRM C=CCn1c(=O)c2ccc(C(=O)NCCC(C)C)cc2[n-]c1=S ZINC000017172516 453631047 /nfs/dbraw/zinc/63/10/47/453631047.db2.gz CQLNZMLEUCOJKX-UHFFFAOYSA-N -1 0 331.441 3.021 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)NCCc2cccc(Cl)c2)cc1C#N ZINC000027607368 453819515 /nfs/dbraw/zinc/81/95/15/453819515.db2.gz QRXYENIGJRDKSC-UHFFFAOYSA-N -1 0 347.827 3.007 20 30 EGEDRM N#CC(=C([O-])c1cccc(N2CCCC2=O)c1)c1nc2ccccc2o1 ZINC000041543711 453971369 /nfs/dbraw/zinc/97/13/69/453971369.db2.gz UEXNRFQVLCRMDX-HNNXBMFYSA-N -1 0 345.358 3.445 20 30 EGEDRM CC(C)Oc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000057122652 454103460 /nfs/dbraw/zinc/10/34/60/454103460.db2.gz KPBZYFMWRNVBJD-UHFFFAOYSA-N -1 0 341.392 3.018 20 30 EGEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3cnn(C)c3)n2)cc1 ZINC000058265415 454176457 /nfs/dbraw/zinc/17/64/57/454176457.db2.gz PWJRKFUWRYMRON-CQSZACIVSA-N -1 0 338.392 3.042 20 30 EGEDRM C[C@@H](CC(=O)[N-]S(=O)(=O)CCc1ccccc1)c1ccncc1 ZINC000095443256 454213738 /nfs/dbraw/zinc/21/37/38/454213738.db2.gz JBLRBXCGTPEDKP-AWEZNQCLSA-N -1 0 332.425 3.104 20 30 EGEDRM C=CCOc1cccc([N-]S(=O)(=O)c2ccc(F)cc2C#N)c1 ZINC000131852728 454291557 /nfs/dbraw/zinc/29/15/57/454291557.db2.gz ROVNHEGZCKJTGC-UHFFFAOYSA-N -1 0 332.356 3.063 20 30 EGEDRM C=CCN(Cc1cccs1)C(=O)c1cc(C#N)c(SC)[n-]c1=O ZINC000079138373 454373556 /nfs/dbraw/zinc/37/35/56/454373556.db2.gz DRCGYQGZHDZKKW-UHFFFAOYSA-N -1 0 345.449 3.271 20 30 EGEDRM O=C(C=Cc1ccncc1)[N-]S(=O)(=O)CCSc1ccccc1 ZINC000079168740 454377802 /nfs/dbraw/zinc/37/78/02/454377802.db2.gz MBWHEUCJQCQLKW-VOTSOKGWSA-N -1 0 348.449 3.173 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2O)c(C(F)(F)F)c1 ZINC000097012545 454387143 /nfs/dbraw/zinc/38/71/43/454387143.db2.gz GXYLZZNGQLAOPY-UHFFFAOYSA-N -1 0 342.298 3.083 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2ncccc2C#N)cc1C(F)(F)F ZINC000097164891 454420859 /nfs/dbraw/zinc/42/08/59/454420859.db2.gz BGHQDBGTLCDOQG-UHFFFAOYSA-N -1 0 341.314 3.081 20 30 EGEDRM CC(C)Cc1nc(C([O-])=C(C#N)c2nnc3n2CCCCC3)cs1 ZINC000064102109 454466836 /nfs/dbraw/zinc/46/68/36/454466836.db2.gz SPSFUZRBFBUQSA-LBPRGKRZSA-N -1 0 343.456 3.150 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)OCc2ccccc2)cc1 ZINC000048422574 454487574 /nfs/dbraw/zinc/48/75/74/454487574.db2.gz MKQFGXWVDLUTMC-CQSZACIVSA-N -1 0 333.409 3.246 20 30 EGEDRM N#Cc1ccc(OC(F)F)c([N-]S(=O)(=O)c2cccc(F)c2)c1 ZINC000102748989 454518606 /nfs/dbraw/zinc/51/86/06/454518606.db2.gz SLQFNXUJIXSAKA-UHFFFAOYSA-N -1 0 342.298 3.100 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)N2CCC[C@@H]2c2ccccc2)cc1C#N ZINC000074070802 454528468 /nfs/dbraw/zinc/52/84/68/454528468.db2.gz DBHNPTSSMPCDFL-OAHLLOKOSA-N -1 0 339.420 3.358 20 30 EGEDRM CCCN(CC#N)C(=O)c1nn(-c2ccc(C(C)C)cc2)cc1[O-] ZINC000162954485 454812099 /nfs/dbraw/zinc/81/20/99/454812099.db2.gz JDCRZEYWVMBYIB-UHFFFAOYSA-N -1 0 326.400 3.077 20 30 EGEDRM CC(C)c1csc(C(C#N)=C([O-])c2cccc3[nH]c(=O)oc32)n1 ZINC000154674231 454918117 /nfs/dbraw/zinc/91/81/17/454918117.db2.gz VZCPIGZCONZCJX-JTQLQIEISA-N -1 0 327.365 3.191 20 30 EGEDRM COc1cc(F)ccc1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000177996421 454925806 /nfs/dbraw/zinc/92/58/06/454925806.db2.gz RKFQXYWFLGTVMO-UHFFFAOYSA-N -1 0 340.763 3.160 20 30 EGEDRM CCCn1cc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)cn1 ZINC000181565532 455355819 /nfs/dbraw/zinc/35/58/19/455355819.db2.gz BXXRNINOSJUPEL-AWEZNQCLSA-N -1 0 337.408 3.302 20 30 EGEDRM N#CC(=C([O-])c1noc2c1CCCCC2)c1cnc2ccccc2n1 ZINC000190944524 455411605 /nfs/dbraw/zinc/41/16/05/455411605.db2.gz LLYJFRWBBDVSCJ-ZDUSSCGKSA-N -1 0 332.363 3.377 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)c1cc(-c2ccccn2)ccc1Cl ZINC000191261590 455473062 /nfs/dbraw/zinc/47/30/62/455473062.db2.gz IQNJDIALIFVHMH-UHFFFAOYSA-N -1 0 330.771 3.115 20 30 EGEDRM C=C[C@H](CC(=O)N[C@]1(C(=O)[O-])C[C@@H](OCC)C1(C)C)c1ccccc1 ZINC000193030570 455736880 /nfs/dbraw/zinc/73/68/80/455736880.db2.gz SQSYRPJQDJJZEC-KKVAFCGZSA-N -1 0 345.439 3.121 20 30 EGEDRM C=CCN(CCC#N)C(=O)c1nn(-c2cccc(C(C)C)c2)cc1[O-] ZINC000293898513 455800015 /nfs/dbraw/zinc/80/00/15/455800015.db2.gz RAJJSMPKWIDHEX-UHFFFAOYSA-N -1 0 338.411 3.243 20 30 EGEDRM COc1ccc2c(c1OC)O/C(=C\c1cc(F)c([O-])c(F)c1)C2=O ZINC000194592113 455861953 /nfs/dbraw/zinc/86/19/53/455861953.db2.gz WWHDRVHNEWXBNT-QPEQYQDCSA-N -1 0 334.274 3.304 20 30 EGEDRM C=CCN(CCc1ccccc1)C(=O)c1cc(C(=O)[O-])c(CC)o1 ZINC000261658370 455922923 /nfs/dbraw/zinc/92/29/23/455922923.db2.gz NMJPFGFGMQAHIP-UHFFFAOYSA-N -1 0 327.380 3.411 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)cc1 ZINC000198843723 456012579 /nfs/dbraw/zinc/01/25/79/456012579.db2.gz PUYLTSDEOVDKSN-UHFFFAOYSA-N -1 0 342.298 3.258 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2cccc(OC[C@H]3CCCO3)c2)cc1[O-] ZINC000188264886 456030863 /nfs/dbraw/zinc/03/08/63/456030863.db2.gz XNHMMYAGPPFUEP-QGZVFWFLSA-N -1 0 338.363 3.074 20 30 EGEDRM C=CCC[C@@H](NC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1)C(=O)[O-] ZINC000262821801 456061239 /nfs/dbraw/zinc/06/12/39/456061239.db2.gz FCXYNCFYOHXODI-SCLBCKFNSA-N -1 0 341.407 3.488 20 30 EGEDRM C=CCC[C@H](NC(=O)c1sc2ccc(OC)cc2c1C)C(=O)[O-] ZINC000262870758 456065021 /nfs/dbraw/zinc/06/50/21/456065021.db2.gz JPZFMUUZEYSRDI-ZDUSSCGKSA-N -1 0 333.409 3.368 20 30 EGEDRM C=CCC[C@H](NC(=O)[C@H]1C[C@@H]1c1c(F)cccc1Cl)C(=O)[O-] ZINC000262957073 456071796 /nfs/dbraw/zinc/07/17/96/456071796.db2.gz RGQRUVGFVQWKPK-KWBADKCTSA-N -1 0 325.767 3.118 20 30 EGEDRM C=CCC[C@@H](NC(=O)Cc1csc(-c2ccc(C)cc2)n1)C(=O)[O-] ZINC000262968586 456072261 /nfs/dbraw/zinc/07/22/61/456072261.db2.gz SJJIEEWCHSXXDU-OAHLLOKOSA-N -1 0 344.436 3.197 20 30 EGEDRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC000263113411 456096024 /nfs/dbraw/zinc/09/60/24/456096024.db2.gz LFGZMTWGZBIKDG-STQMWFEESA-N -1 0 329.400 3.062 20 30 EGEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000231808410 456142738 /nfs/dbraw/zinc/14/27/38/456142738.db2.gz PJSGJTVGQQAWLO-UHFFFAOYSA-N -1 0 342.829 3.391 20 30 EGEDRM CC1(C)CCCN(C(=O)c2cnc3c(Cl)cccc3c2O)[C@H]1C#N ZINC000343111174 456411592 /nfs/dbraw/zinc/41/15/92/456411592.db2.gz GAABXXDRPIISDE-AWEZNQCLSA-N -1 0 343.814 3.336 20 30 EGEDRM CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)n[nH]1 ZINC000317517238 456616369 /nfs/dbraw/zinc/61/63/69/456616369.db2.gz RJVMGWIKALYTIT-UHFFFAOYSA-N -1 0 338.820 3.033 20 30 EGEDRM CC(C)(C)n1cc(C#N)c(=NC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)[n-]1 ZINC000348467594 456701421 /nfs/dbraw/zinc/70/14/21/456701421.db2.gz UVKCKPFGGVUSIP-ZIAGYGMSSA-N -1 0 342.830 3.327 20 30 EGEDRM O=C(N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000329145128 456843307 /nfs/dbraw/zinc/84/33/07/456843307.db2.gz NLMFDKGHNVDXRM-GMXVVIOVSA-N -1 0 342.399 3.100 20 30 EGEDRM O=C(N=c1[n-]nc(C(F)(F)F)s1)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000329796785 456941644 /nfs/dbraw/zinc/94/16/44/456941644.db2.gz FBSPZZWIRUTAKE-XHNCKOQMSA-N -1 0 334.367 3.274 20 30 EGEDRM C=CCOc1ccc(CNC(=O)c2nn(-c3ccccc3)cc2[O-])cc1 ZINC000359085124 457051606 /nfs/dbraw/zinc/05/16/06/457051606.db2.gz GQHOMSHMIPDETI-UHFFFAOYSA-N -1 0 349.390 3.073 20 30 EGEDRM CCCc1nc(C)c([N-]S(=O)(=O)c2ccc(C#N)cc2C)s1 ZINC000362722235 457060929 /nfs/dbraw/zinc/06/09/29/457060929.db2.gz JKALFMPDHUHKMG-UHFFFAOYSA-N -1 0 335.454 3.385 20 30 EGEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000339417219 457102797 /nfs/dbraw/zinc/10/27/97/457102797.db2.gz PSGCUDLVVFIFRS-UHFFFAOYSA-N -1 0 340.763 3.160 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)c2c(F)cccc2F)c(Cl)c1 ZINC000362868187 457133133 /nfs/dbraw/zinc/13/31/33/457133133.db2.gz OALYRFZYUPBKHH-UHFFFAOYSA-N -1 0 328.727 3.291 20 30 EGEDRM C[C@@H](CNC(=O)c1c([O-])cc(Cl)cc1Cl)N1CCCCC1=O ZINC000331252482 457155114 /nfs/dbraw/zinc/15/51/14/457155114.db2.gz YWMDCXJOAFWBCG-VIFPVBQESA-N -1 0 345.226 3.405 20 30 EGEDRM Cc1cn(-c2ccccc2Cl)nc1C([O-])=C(C#N)c1ccncn1 ZINC000354466072 457240320 /nfs/dbraw/zinc/24/03/20/457240320.db2.gz MEOVCVMCABZUMD-GFCCVEGCSA-N -1 0 337.770 3.114 20 30 EGEDRM CC(C)Sc1ccc([N+](=O)[O-])cc1C([O-])=C(C#N)c1ccncn1 ZINC000354467854 457241551 /nfs/dbraw/zinc/24/15/51/457241551.db2.gz OHEAYKVKDGPCQZ-CYBMUJFWSA-N -1 0 342.380 3.375 20 30 EGEDRM CC(C)c1c(C([O-])=C(C#N)c2ccncn2)cnn1-c1ccc(F)cc1 ZINC000354471500 457244378 /nfs/dbraw/zinc/24/43/78/457244378.db2.gz OBRDRLLTATWHJE-HNNXBMFYSA-N -1 0 349.369 3.415 20 30 EGEDRM CC[C@H](C)Oc1cc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)ccn1 ZINC000347292638 457335342 /nfs/dbraw/zinc/33/53/42/457335342.db2.gz CFCXUEWWRWMNPU-JSGCOSHPSA-N -1 0 349.394 3.329 20 30 EGEDRM Cc1cc(C(F)(F)F)ncc1[N-]S(=O)(=O)c1ccccc1C#N ZINC000357330936 457450992 /nfs/dbraw/zinc/45/09/92/457450992.db2.gz QQRQRBMBMWKDNO-UHFFFAOYSA-N -1 0 341.314 3.081 20 30 EGEDRM C[C@@H]1Oc2c(cccc2C([O-])=C(C#N)c2nc3ccccc3o2)NC1=O ZINC000352698054 457539165 /nfs/dbraw/zinc/53/91/65/457539165.db2.gz NWAUMQYVUZHEAQ-CMPLNLGQSA-N -1 0 347.330 3.037 20 30 EGEDRM Cc1cc(C)cc(-c2n[n-]c(=NC(=O)N[C@@H]3CC[C@H](C#N)C3)s2)c1 ZINC000425668605 457627275 /nfs/dbraw/zinc/62/72/75/457627275.db2.gz MQDLWQGZAADPSG-GXTWGEPZSA-N -1 0 341.440 3.058 20 30 EGEDRM Cc1nc2ccc(C(=O)[C@H](C#N)c3nc4ccccc4n3C)cc2n1C ZINC000361656503 457812148 /nfs/dbraw/zinc/81/21/48/457812148.db2.gz SRWFBOJBWWEOHQ-AWEZNQCLSA-N -1 0 343.390 3.259 20 30 EGEDRM CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000427105060 457944075 /nfs/dbraw/zinc/94/40/75/457944075.db2.gz USXILRZRDQHOFQ-UHFFFAOYSA-N -1 0 338.335 3.036 20 30 EGEDRM C=CCN(C(=O)c1ncc(C)cc1[O-])c1nc2c(s1)CCCC2 ZINC000427246295 457966866 /nfs/dbraw/zinc/96/68/66/457966866.db2.gz OLTJCYGZQSLYED-UHFFFAOYSA-N -1 0 329.425 3.264 20 30 EGEDRM CCn1nc(C)c(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)c1C ZINC000362187120 458040386 /nfs/dbraw/zinc/04/03/86/458040386.db2.gz LEDKBROMHSZVIT-LBPRGKRZSA-N -1 0 336.317 3.424 20 30 EGEDRM C=CCC[C@@H](NC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1)c1ccccc1 ZINC000435723609 458189748 /nfs/dbraw/zinc/18/97/48/458189748.db2.gz TWWZERHIGONOCC-QGZVFWFLSA-N -1 0 349.390 3.467 20 30 EGEDRM CC(C)(C)CC[C@H](Nc1ncc(Br)cc1C#N)C(=O)[O-] ZINC000416444494 458347381 /nfs/dbraw/zinc/34/73/81/458347381.db2.gz YOTXQVRLGCXQFP-NSHDSACASA-N -1 0 340.221 3.407 20 30 EGEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1cc2sc(C)nc2cc1Cl ZINC000416964497 458358596 /nfs/dbraw/zinc/35/85/96/458358596.db2.gz SOINNIHRIFXNTB-MRVPVSSYSA-N -1 0 329.834 3.302 20 30 EGEDRM CC(=O)c1ccc([O-])c(NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)c1 ZINC000436936758 458408828 /nfs/dbraw/zinc/40/88/28/458408828.db2.gz VIIPFODHYGBOEE-UHFFFAOYSA-N -1 0 349.268 3.133 20 30 EGEDRM CNC(=O)c1cccc(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)c1 ZINC000430583470 458466686 /nfs/dbraw/zinc/46/66/86/458466686.db2.gz MKALCRQMOGUDGX-ZDUSSCGKSA-N -1 0 341.436 3.290 20 30 EGEDRM CC(C)(C)C[C@@H]([N-]S(=O)(=O)CC(C)(C)CC#N)C(F)(F)F ZINC000451381193 458474605 /nfs/dbraw/zinc/47/46/05/458474605.db2.gz ZUSORLZNYGJJBS-SNVBAGLBSA-N -1 0 328.400 3.213 20 30 EGEDRM C[C@@H]1CCc2onc(C([O-])=C(C#N)c3nc4ccccc4n3C)c2C1 ZINC000515034819 458804861 /nfs/dbraw/zinc/80/48/61/458804861.db2.gz URHNBOLJJLOLMF-YPMHNXCESA-N -1 0 334.379 3.176 20 30 EGEDRM C=C[C@H](CC(=O)NC1(C(=O)[O-])Cc2ccccc2C1)c1ccccc1 ZINC000516703111 458820914 /nfs/dbraw/zinc/82/09/14/458820914.db2.gz HIUGTVJDQGTIEJ-OAHLLOKOSA-N -1 0 335.403 3.085 20 30 EGEDRM N#CC(=C([O-])c1ccc(O[C@@H]2CCOC2)cc1)c1nc2ccccc2o1 ZINC000517665914 458831040 /nfs/dbraw/zinc/83/10/40/458831040.db2.gz ZXVVOGCIIWDPBC-CVEARBPZSA-N -1 0 348.358 3.486 20 30 EGEDRM N#CCc1ccc([N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)cc1 ZINC000551115050 458888068 /nfs/dbraw/zinc/88/80/68/458888068.db2.gz VQKOOPVARYKFOL-UHFFFAOYSA-N -1 0 342.754 3.485 20 30 EGEDRM N#CC(=C([O-])c1coc(C2CCOCC2)n1)c1nc2ccccc2o1 ZINC000555075368 458903200 /nfs/dbraw/zinc/90/32/00/458903200.db2.gz YEJFWEVVSMBLQV-LBPRGKRZSA-N -1 0 337.335 3.200 20 30 EGEDRM C=CCN=c1[n-]nc(SCC(=O)C(C)(C)c2ccccc2)s1 ZINC000475962383 458974294 /nfs/dbraw/zinc/97/42/94/458974294.db2.gz OTTZNXUZSHCMHM-UHFFFAOYSA-N -1 0 333.482 3.197 20 30 EGEDRM C=C(C)[C@H]1OCC[C@@H]1CNc1ncnc2sc(C(=O)[O-])c(C)c21 ZINC000577638187 459066525 /nfs/dbraw/zinc/06/65/25/459066525.db2.gz POUKYKUMWBLMOF-ZYHUDNBSSA-N -1 0 333.413 3.091 20 30 EGEDRM N#CC1(CNC(=O)N[C@H](C(=O)[O-])c2ccc(Cl)cc2)CCCCC1 ZINC000594689915 459130476 /nfs/dbraw/zinc/13/04/76/459130476.db2.gz BGJRCPKUDCHBMJ-AWEZNQCLSA-N -1 0 349.818 3.239 20 30 EGEDRM Cc1cccc([C@@H](NC(=O)NCC2(C#N)CCCCC2)C(=O)[O-])c1C ZINC000594690388 459131298 /nfs/dbraw/zinc/13/12/98/459131298.db2.gz HVKZSQZMTSIKOO-MRXNPFEDSA-N -1 0 343.427 3.202 20 30 EGEDRM N#CCc1cccc(C(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)c1 ZINC000590644703 459170773 /nfs/dbraw/zinc/17/07/73/459170773.db2.gz SOVXNXWUEMMGSW-UHFFFAOYSA-N -1 0 348.402 3.471 20 30 EGEDRM N#CCCC1CCN(C(=O)N=c2ccc(-c3ccccc3)n[n-]2)CC1 ZINC000579953935 459254045 /nfs/dbraw/zinc/25/40/45/459254045.db2.gz UKBIVLBIXZTIFC-UHFFFAOYSA-N -1 0 335.411 3.113 20 30 EGEDRM CC(C)(C)Oc1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])cc1C#N ZINC000591240005 459339203 /nfs/dbraw/zinc/33/92/03/459339203.db2.gz VRKBAOUILTUJPH-GJZGRUSLSA-N -1 0 342.395 3.341 20 30 EGEDRM Cc1cc(=NC(=O)c2ccccc2-c2ccccc2C#N)[n-]nc1C ZINC000524488143 459367251 /nfs/dbraw/zinc/36/72/51/459367251.db2.gz BWNMYXSICIMGLU-UHFFFAOYSA-N -1 0 328.375 3.306 20 30 EGEDRM C=CCN(Cc1ccccc1F)C(=O)Cc1cccc(C(=O)[O-])c1 ZINC000539675604 459377934 /nfs/dbraw/zinc/37/79/34/459377934.db2.gz WKQXPUTUTUMVMY-UHFFFAOYSA-N -1 0 327.355 3.281 20 30 EGEDRM N#Cc1c(NC(=O)CC2(CC(=O)[O-])CCC2)sc2c1CCCC2 ZINC000591531419 459396625 /nfs/dbraw/zinc/39/66/25/459396625.db2.gz SUPXBKWZEJGHMR-UHFFFAOYSA-N -1 0 332.425 3.472 20 30 EGEDRM N#Cc1ccc(N2CCC(Nc3cccc(CC(=O)[O-])c3)CC2)cc1 ZINC000569210900 459415266 /nfs/dbraw/zinc/41/52/66/459415266.db2.gz ARJDHOONDGTVHI-UHFFFAOYSA-N -1 0 335.407 3.266 20 30 EGEDRM N#Cc1cnc2c(F)cc(F)cc2c1N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000595973644 459491842 /nfs/dbraw/zinc/49/18/42/459491842.db2.gz GGAPHTGZECKBKX-NSHDSACASA-N -1 0 345.349 3.466 20 30 EGEDRM C#C[C@@H](N=c1nc([C@@H](C)OC)[n-]s1)c1ccc(Cl)cc1F ZINC000491124968 459599413 /nfs/dbraw/zinc/59/94/13/459599413.db2.gz ACGDJPJLGPBFFW-PRHODGIISA-N -1 0 325.796 3.246 20 30 EGEDRM N#CC(=C([O-])c1cc(C(N)=O)cs1)c1nc2cc(F)ccc2s1 ZINC000592973755 459726301 /nfs/dbraw/zinc/72/63/01/459726301.db2.gz KCGWFOLTERUHOJ-SECBINFHSA-N -1 0 345.380 3.086 20 30 EGEDRM CNc1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)cc1[N+](=O)[O-] ZINC000573895495 459752541 /nfs/dbraw/zinc/75/25/41/459752541.db2.gz LBLHNWDRWAZESB-LBPRGKRZSA-N -1 0 347.334 3.070 20 30 EGEDRM C=CCSc1ccccc1NC(=O)CN1C[C@H](C(=O)[O-])CC[C@@H]1C ZINC000566219469 459824807 /nfs/dbraw/zinc/82/48/07/459824807.db2.gz DBDOAKULMZPRRQ-UONOGXRCSA-N -1 0 348.468 3.088 20 30 EGEDRM COc1cccc(S(=O)(=O)[N-]c2cc(C#N)ccc2OC(C)C)c1 ZINC000608955234 459896402 /nfs/dbraw/zinc/89/64/02/459896402.db2.gz BMQIZPLCFCCGBK-UHFFFAOYSA-N -1 0 346.408 3.155 20 30 EGEDRM CCOCCn1cc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)cn1 ZINC000621719847 460027369 /nfs/dbraw/zinc/02/73/69/460027369.db2.gz YJEHKTJJMPHKPH-CYBMUJFWSA-N -1 0 346.456 3.164 20 30 EGEDRM CCc1ccc(S(=O)(=O)[N-]c2cc(C)c(N(C)C)cc2C#N)cc1 ZINC000589594284 460107895 /nfs/dbraw/zinc/10/78/95/460107895.db2.gz CXSRVYMDFKANEO-UHFFFAOYSA-N -1 0 343.452 3.296 20 30 EGEDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(C)c(N(C)C)cc2C#N)c1 ZINC000589594293 460107923 /nfs/dbraw/zinc/10/79/23/460107923.db2.gz GHVQTTGJTSAUAR-UHFFFAOYSA-N -1 0 343.452 3.350 20 30 EGEDRM N#Cc1cccc(Oc2ccc(NC(=O)c3ncccc3[O-])cn2)c1 ZINC000610337935 460124484 /nfs/dbraw/zinc/12/44/84/460124484.db2.gz DSRIZGCABDYUGF-UHFFFAOYSA-N -1 0 332.319 3.098 20 30 EGEDRM N#CCc1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C#N)c1 ZINC000619569646 460385523 /nfs/dbraw/zinc/38/55/23/460385523.db2.gz KABHRBNKERWFEK-UHFFFAOYSA-N -1 0 331.784 3.079 20 30 EGEDRM N#CCc1cccc(NC(=O)C[C@]2(C(=O)[O-])CCCc3ccccc32)c1 ZINC000601988485 460973673 /nfs/dbraw/zinc/97/36/73/460973673.db2.gz DYEFJCJYNWHHSG-OAQYLSRUSA-N -1 0 348.402 3.440 20 30 EGEDRM C=C[C@@H]1CCCCN1C(=O)c1ccc(-n2ncc(C(=O)[O-])c2C)cc1 ZINC000630301769 461090773 /nfs/dbraw/zinc/09/07/73/461090773.db2.gz OTCBNLIRHLPMAS-OAHLLOKOSA-N -1 0 339.395 3.060 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)[C@@H](C)Sc1ccccc1Cl)C(=O)[O-] ZINC000630319241 461094009 /nfs/dbraw/zinc/09/40/09/461094009.db2.gz WISXTHQCSGOHAB-ZYHUDNBSSA-N -1 0 327.833 3.356 20 30 EGEDRM CCn1c2ccc(C([O-])=C(C#N)c3nc(C)cs3)cc2[nH]c1=O ZINC000659010698 461136786 /nfs/dbraw/zinc/13/67/86/461136786.db2.gz XALWJKXBTURCTH-LLVKDONJSA-N -1 0 326.381 3.017 20 30 EGEDRM C=CCOc1ccc(CNC(=O)N2CCC(CCC(=O)[O-])CC2)cc1 ZINC000659402271 461333278 /nfs/dbraw/zinc/33/32/78/461333278.db2.gz CTMMWYBHKBERJZ-UHFFFAOYSA-N -1 0 346.427 3.038 20 30 EGEDRM C=C(C)C[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])Cc1cc(F)c(F)cc1F ZINC000666370663 461598519 /nfs/dbraw/zinc/59/85/19/461598519.db2.gz PCYOLXZTXONVMN-ZYHUDNBSSA-N -1 0 343.345 3.208 20 30 EGEDRM C=C(C)COc1cccc(NC(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)c1 ZINC000647695314 461806473 /nfs/dbraw/zinc/80/64/73/461806473.db2.gz AWNXTQXABLPSLI-CJNGLKHVSA-N -1 0 332.400 3.216 20 30 EGEDRM C[C@@H](CC(=O)N=c1ccc(C2CC2)n[n-]1)NC(=O)C1CCCCC1 ZINC000329345472 547495845 /nfs/dbraw/zinc/49/58/45/547495845.db2.gz USMAUMJEQSGXKL-LBPRGKRZSA-N -1 0 330.432 3.030 20 30 EGEDRM CC(C)(C)c1nc(=NC(=O)NCc2ccn(C3CCCC3)n2)s[n-]1 ZINC000330313613 547519267 /nfs/dbraw/zinc/51/92/67/547519267.db2.gz XIJSYYJQCXCUSF-UHFFFAOYSA-N -1 0 348.476 3.095 20 30 EGEDRM C=CCN(CCc1ccccc1)C(=O)c1ccc(C(=O)[O-])cc1F ZINC000358608491 547745419 /nfs/dbraw/zinc/74/54/19/547745419.db2.gz HICXWKMXAJOEHG-UHFFFAOYSA-N -1 0 327.355 3.395 20 30 EGEDRM Cn1c2cccc(C([O-])=C(C#N)c3ccc4ccccc4n3)c2oc1=O ZINC000677467990 549274960 /nfs/dbraw/zinc/27/49/60/549274960.db2.gz VJOIYVGKWMWHJF-AWEZNQCLSA-N -1 0 343.342 3.170 20 30 EGEDRM COc1ccc(OC)c(C=NOCc2ccc(F)cc2C(=O)[O-])c1 ZINC000738047610 574567959 /nfs/dbraw/zinc/56/79/59/574567959.db2.gz HOUWYFSYHNOBLE-UHFFFAOYSA-N -1 0 333.315 3.092 20 30 EGEDRM Cc1cc(C=NNCCCc2ccccc2)cc(C)c1OCC(=O)[O-] ZINC000738378841 574619827 /nfs/dbraw/zinc/61/98/27/574619827.db2.gz KSDUDFPLFPFXFE-UHFFFAOYSA-N -1 0 340.423 3.323 20 30 EGEDRM CCn1nc(C)c(/C=C\C(=O)c2cccc(O[C@H](C)C(=O)[O-])c2)c1C ZINC000727974921 574707602 /nfs/dbraw/zinc/70/76/02/574707602.db2.gz OCMBNZWBJSKJST-CFYYFVFUSA-N -1 0 342.395 3.268 20 30 EGEDRM Cc1nc(CC(C)C)sc1C([O-])=C(C#N)C(=O)NC1CCCC1 ZINC000727954366 574706194 /nfs/dbraw/zinc/70/61/94/574706194.db2.gz OXRVWEQBBIZUJS-ZDUSSCGKSA-N -1 0 333.457 3.031 20 30 EGEDRM Cn1c(Cl)nc(Cl)c1/C=C\C(=O)c1ccc(C(=O)[O-])s1 ZINC000728439447 574749278 /nfs/dbraw/zinc/74/92/78/574749278.db2.gz LAEKDIWEYIHCTB-IHWYPQMZSA-N -1 0 331.180 3.383 20 30 EGEDRM CC1(C)Cc2cc(C=Nn3c(=S)[n-]nc3C(F)(F)F)ccc2O1 ZINC000729140453 574818413 /nfs/dbraw/zinc/81/84/13/574818413.db2.gz HWLSTNHIQLPOBE-UHFFFAOYSA-N -1 0 342.346 3.181 20 30 EGEDRM COc1ccc(/C=C/C(=O)c2csc(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000730149696 574925463 /nfs/dbraw/zinc/92/54/63/574925463.db2.gz YXEZCOGIVKEVLY-DUXPYHPUSA-N -1 0 333.321 3.259 20 30 EGEDRM COCCOc1ccc(/C=C/C(=O)c2csc(C(=O)[O-])c2)cc1 ZINC000730465031 574990052 /nfs/dbraw/zinc/99/00/52/574990052.db2.gz UHLCPBABBKCCHB-QPJJXVBHSA-N -1 0 332.377 3.368 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])c(/C=N\C[C@H](O)c2c(F)cccc2Cl)c1 ZINC000741166164 574998427 /nfs/dbraw/zinc/99/84/27/574998427.db2.gz XLYQPDBVKRIZCH-YCTMVFBPSA-N -1 0 338.722 3.245 20 30 EGEDRM C#CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2F)cc1 ZINC000730996492 575042989 /nfs/dbraw/zinc/04/29/89/575042989.db2.gz SXPCAEIFDMEOME-UHFFFAOYSA-N -1 0 339.775 3.292 20 30 EGEDRM COc1ccc(OC(F)F)c(C=NNc2cccc(C(=O)[O-])c2)c1 ZINC000732923912 575296481 /nfs/dbraw/zinc/29/64/81/575296481.db2.gz LDUCQSVYZYFWDG-UHFFFAOYSA-N -1 0 336.294 3.441 20 30 EGEDRM CC[C@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000734080121 575433386 /nfs/dbraw/zinc/43/33/86/575433386.db2.gz KPQBTBZGZICJSQ-MRXNPFEDSA-N -1 0 348.468 3.360 20 30 EGEDRM COc1ncc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)cn1 ZINC000734080556 575433537 /nfs/dbraw/zinc/43/35/37/575433537.db2.gz VRQQVWAQZRCEED-CYBMUJFWSA-N -1 0 336.376 3.099 20 30 EGEDRM COc1cc(/C=C2\Cc3cc(F)ccc3C2=O)ccc1OCC(=O)[O-] ZINC000734305634 575464226 /nfs/dbraw/zinc/46/42/26/575464226.db2.gz YXLJHVLMZZMEMM-AWNIVKPZSA-N -1 0 342.322 3.120 20 30 EGEDRM Cc1ccsc1C(Cc1ccccc1)=NNc1nnc(C)c(=O)[n-]1 ZINC000735970746 575742923 /nfs/dbraw/zinc/74/29/23/575742923.db2.gz NFKDYJIPBWHTSF-UHFFFAOYSA-N -1 0 339.424 3.314 20 30 EGEDRM C#Cc1cccc(N(Cc2cccs2)C(=O)CCCNC(=O)[O-])c1 ZINC000736090632 575898420 /nfs/dbraw/zinc/89/84/20/575898420.db2.gz FLQZUVMHEANNOL-UHFFFAOYSA-N -1 0 342.420 3.310 20 30 EGEDRM C=C(C)CN(CC)C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000736095110 575899230 /nfs/dbraw/zinc/89/92/30/575899230.db2.gz JAPPYQIFYIKMDD-UHFFFAOYSA-N -1 0 328.315 3.416 20 30 EGEDRM CC(=NNCCCc1ccccc1)c1ccc(OCC(=O)[O-])cc1 ZINC000736127724 575899934 /nfs/dbraw/zinc/89/99/34/575899934.db2.gz XHHNPTWCMPHMIR-UHFFFAOYSA-N -1 0 326.396 3.096 20 30 EGEDRM CCN(C(=O)CSc1ccc(C#N)cc1)c1ccccc1C(=O)[O-] ZINC000737060941 576097832 /nfs/dbraw/zinc/09/78/32/576097832.db2.gz YUQUELXBQUSRHJ-UHFFFAOYSA-N -1 0 340.404 3.402 20 30 EGEDRM CCOc1ccc(N[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1OC ZINC000737202915 576135291 /nfs/dbraw/zinc/13/52/91/576135291.db2.gz JEPJSDOPPUPYHA-KRWDZBQOSA-N -1 0 326.352 3.203 20 30 EGEDRM COc1cc(/C=C\C(=O)[O-])ccc1OCc1ccc(OCC#N)cc1 ZINC000737879651 576269205 /nfs/dbraw/zinc/26/92/05/576269205.db2.gz SVDIMGVDLWTWAY-UITAMQMPSA-N -1 0 339.347 3.274 20 30 EGEDRM COc1ccc(O)c(/C=N/Cc2ccc(OCCCC(=O)[O-])cc2)c1 ZINC000738041872 576282432 /nfs/dbraw/zinc/28/24/32/576282432.db2.gz OESBVMOLNFAGOB-DEDYPNTBSA-N -1 0 343.379 3.264 20 30 EGEDRM Cc1cc(F)cc2c1ncc(C#N)c2NCCc1ccc(C(=O)[O-])cc1 ZINC000738396842 576321350 /nfs/dbraw/zinc/32/13/50/576321350.db2.gz MIWISUQUCMWYAQ-UHFFFAOYSA-N -1 0 349.365 3.329 20 30 EGEDRM Cc1ccc(N(CCC#N)C(=O)[C@H](C)SC[C@H](C)C(=O)[O-])cc1 ZINC000738608140 576341430 /nfs/dbraw/zinc/34/14/30/576341430.db2.gz CWNABBUUUYIOQH-KBPBESRZSA-N -1 0 334.441 3.084 20 30 EGEDRM Cc1ccc(NC(=O)c2cc3ccccc3n2CC#N)c(C(=O)[O-])c1 ZINC000738627032 576343621 /nfs/dbraw/zinc/34/36/21/576343621.db2.gz HGMALLOIGFMJGP-UHFFFAOYSA-N -1 0 333.347 3.424 20 30 EGEDRM Cc1ccc(SCC(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000738667601 576348511 /nfs/dbraw/zinc/34/85/11/576348511.db2.gz AWHSDSZNZFSJGH-QGZVFWFLSA-N -1 0 341.388 3.328 20 30 EGEDRM Cc1ccc2cc(C(=O)O[C@@H](C(=O)[O-])c3ccc(C#N)cc3)[nH]c2c1 ZINC000738674848 576349713 /nfs/dbraw/zinc/34/97/13/576349713.db2.gz BWIMZKPSZCGULY-QGZVFWFLSA-N -1 0 334.331 3.331 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)CCc2cccc(F)c2F)C(=O)[O-])cc1 ZINC000739107276 576378377 /nfs/dbraw/zinc/37/83/77/576378377.db2.gz AGXHGTLDYNTERN-KRWDZBQOSA-N -1 0 345.301 3.138 20 30 EGEDRM N#Cc1ccc([C@H](Nc2cccc(N3CCCCC3=O)c2)C(=O)[O-])cc1 ZINC000739109605 576378498 /nfs/dbraw/zinc/37/84/98/576378498.db2.gz MFQQTXHGQXTFPE-IBGZPJMESA-N -1 0 349.390 3.313 20 30 EGEDRM N#Cc1ccc(CCC(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)cc1 ZINC000739116988 576378855 /nfs/dbraw/zinc/37/88/55/576378855.db2.gz HAPFFFUXAVBWAU-MRXNPFEDSA-N -1 0 334.375 3.096 20 30 EGEDRM N#Cc1ccc(OC(F)F)c(NC(=O)c2cccc(C(=O)[O-])c2)c1 ZINC000739121061 576379070 /nfs/dbraw/zinc/37/90/70/576379070.db2.gz KUTDKSOXIIWNFD-UHFFFAOYSA-N -1 0 332.262 3.110 20 30 EGEDRM N#Cc1cn(Cc2ccc(C(=O)[O-])cc2)c2ccc(Cl)cc2c1=O ZINC000739142946 576379660 /nfs/dbraw/zinc/37/96/60/576379660.db2.gz TZDADQZFDQRVML-UHFFFAOYSA-N -1 0 338.750 3.273 20 30 EGEDRM N#Cc1ccccc1NC(=S)Nc1ccc(CCC(=O)[O-])cc1 ZINC000739147443 576379702 /nfs/dbraw/zinc/37/97/02/576379702.db2.gz UYUJOOKGVFGBNP-UHFFFAOYSA-N -1 0 325.393 3.384 20 30 EGEDRM O=C([O-])CSCCC(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC000739849991 576510596 /nfs/dbraw/zinc/51/05/96/576510596.db2.gz RIMQLDAUXUFCBC-UHFFFAOYSA-N -1 0 345.445 3.294 20 30 EGEDRM C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1sccc1C ZINC000741657451 576708931 /nfs/dbraw/zinc/70/89/31/576708931.db2.gz RJUCPVFDBIHVGY-UHFFFAOYSA-N -1 0 325.386 3.008 20 30 EGEDRM COc1ccc2c(c1)OCC[C@H]2/N=C\c1cc([N+](=O)[O-])ccc1[O-] ZINC000741755499 576717627 /nfs/dbraw/zinc/71/76/27/576717627.db2.gz DNLCZYXCCBBAGD-YQYFLZKSSA-N -1 0 328.324 3.252 20 30 EGEDRM C[C@@H](Oc1cccc(/C=C/C(=O)c2ccc3c(c2)COC3)c1)C(=O)[O-] ZINC000742437763 576784356 /nfs/dbraw/zinc/78/43/56/576784356.db2.gz XEYJFJFHTCNSPH-OQHXTRMZSA-N -1 0 338.359 3.465 20 30 EGEDRM O=C([O-])c1ccc(NN=Cc2ccc(Oc3cnccn3)cc2)cc1 ZINC000743418794 576808965 /nfs/dbraw/zinc/80/89/65/576808965.db2.gz JWHFQVKRDGCLHY-UHFFFAOYSA-N -1 0 334.335 3.413 20 30 EGEDRM CC[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)C(=O)[O-] ZINC000818289950 597199594 /nfs/dbraw/zinc/19/95/94/597199594.db2.gz PHGMEBOIJOCDPN-IAGOWNOFSA-N -1 0 337.379 3.327 20 30 EGEDRM CC(C)(C)c1nc2cc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])ccc2o1 ZINC000819857102 597633447 /nfs/dbraw/zinc/63/34/47/597633447.db2.gz ROOXUNUHJCPVBG-QGZVFWFLSA-N -1 0 329.356 3.068 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(NC2CCCCC2)cc1 ZINC000819855456 597641349 /nfs/dbraw/zinc/64/13/49/597641349.db2.gz CPYVPVOSBBRJGY-SFHVURJKSA-N -1 0 329.400 3.374 20 30 EGEDRM C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000820071593 598206884 /nfs/dbraw/zinc/20/68/84/598206884.db2.gz BJTNBJRGQNBLDF-WCQYABFASA-N -1 0 333.413 3.162 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1cccc(COc2ccccc2)c1 ZINC000819857479 598224766 /nfs/dbraw/zinc/22/47/66/598224766.db2.gz XQKOSHTZDHZZES-IBGZPJMESA-N -1 0 338.363 3.209 20 30 EGEDRM CN(Cc1ccccc1-c1ccccc1)C(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000820607754 598226199 /nfs/dbraw/zinc/22/61/99/598226199.db2.gz UASZPRURXVHBBU-FQEVSTJZSA-N -1 0 336.391 3.317 20 30 EGEDRM Cc1cccc(-c2ccc(CNC(=O)[C@](C)(C#N)CC(=O)[O-])cc2)c1 ZINC000821106887 598228283 /nfs/dbraw/zinc/22/82/83/598228283.db2.gz CDBQRJJYDOODPL-FQEVSTJZSA-N -1 0 336.391 3.283 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NCCCc1ccc(Cl)cc1Cl ZINC000819834891 598229414 /nfs/dbraw/zinc/22/94/14/598229414.db2.gz QEVXCDPVLPQNLO-OAHLLOKOSA-N -1 0 343.210 3.047 20 30 EGEDRM C=CCc1ccccc1OS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000825705426 600766565 /nfs/dbraw/zinc/76/65/65/600766565.db2.gz HCGWRQHEDGZHNJ-UHFFFAOYSA-N -1 0 332.377 3.189 20 30 EGEDRM C=CCNc1nnc(S[C@@H](C(=O)[O-])c2ccccc2F)s1 ZINC000825692212 600831895 /nfs/dbraw/zinc/83/18/95/600831895.db2.gz NNKDGPZOBGWRCL-SNVBAGLBSA-N -1 0 325.390 3.193 20 30 EGEDRM C#CCOc1ccc(C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)cc1 ZINC000139297037 600839697 /nfs/dbraw/zinc/83/96/97/600839697.db2.gz VBVFQLMYLXVUMV-SFHVURJKSA-N -1 0 337.375 3.035 20 30 EGEDRM C=CCOc1ccc(OC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000825698309 600932645 /nfs/dbraw/zinc/93/26/45/600932645.db2.gz CULAYOXGOPUQJX-UHFFFAOYSA-N -1 0 343.291 3.077 20 30 EGEDRM C#C[C@@H](C)OC(=O)c1ccccc1SCc1occc1C(=O)[O-] ZINC000825600263 600959475 /nfs/dbraw/zinc/95/94/75/600959475.db2.gz FAGIKLXDEFEAKO-LLVKDONJSA-N -1 0 330.361 3.449 20 30 EGEDRM C=CCOCCCC(=O)Nc1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC000825699377 600970014 /nfs/dbraw/zinc/97/00/14/600970014.db2.gz YMSQMAAKHLMHDF-UHFFFAOYSA-N -1 0 331.290 3.325 20 30 EGEDRM CC(=O)Nc1ccc(N[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1Cl ZINC000825903141 601299248 /nfs/dbraw/zinc/29/92/48/601299248.db2.gz WFHRLFZVIFKUBE-INIZCTEOSA-N -1 0 343.770 3.408 20 30 EGEDRM O=C([O-])c1ccc(/C=C/C(=O)c2sccc2Br)[nH]1 ZINC000833311759 601332010 /nfs/dbraw/zinc/33/20/10/601332010.db2.gz COIGPDZVTBAZHM-DUXPYHPUSA-N -1 0 326.171 3.433 20 30 EGEDRM N#Cc1cccc([C@@H](OC(=O)c2cc3c(s2)CCC3)C(=O)[O-])c1 ZINC000833077607 601343894 /nfs/dbraw/zinc/34/38/94/601343894.db2.gz XHYFQQDEWPNGTJ-OAHLLOKOSA-N -1 0 327.361 3.091 20 30 EGEDRM CCOc1c(F)cccc1C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830026728 601354892 /nfs/dbraw/zinc/35/48/92/601354892.db2.gz AUWMUFQHUFDAPK-HNNXBMFYSA-N -1 0 343.310 3.079 20 30 EGEDRM CC(C)(NC(=O)c1ccc(Sc2ccccc2C#N)cc1)C(=O)[O-] ZINC000826630808 601449248 /nfs/dbraw/zinc/44/92/48/601449248.db2.gz SDSANPQOAIQKEW-UHFFFAOYSA-N -1 0 340.404 3.302 20 30 EGEDRM COC(=O)c1ccc(NCC#Cc2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000831430679 601578961 /nfs/dbraw/zinc/57/89/61/601578961.db2.gz ITUYDWGTBPCWKG-UHFFFAOYSA-N -1 0 343.766 3.288 20 30 EGEDRM CN(Cc1ccccc1C#N)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830855570 601899628 /nfs/dbraw/zinc/89/96/28/601899628.db2.gz AWKAIAFGUXAHJV-MRXNPFEDSA-N -1 0 334.297 3.233 20 30 EGEDRM CCC[C@H](C#N)NC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000829183978 601993310 /nfs/dbraw/zinc/99/33/10/601993310.db2.gz DIRGSVPTRIQSBR-SNVBAGLBSA-N -1 0 329.278 3.217 20 30 EGEDRM Cc1ccc(C#N)cc1NC(=O)N[C@@H]1CCCCCC[C@H]1C(=O)[O-] ZINC000832910601 602036227 /nfs/dbraw/zinc/03/62/27/602036227.db2.gz UVDIVQOQIDANDN-HUUCEWRRSA-N -1 0 329.400 3.412 20 30 EGEDRM COc1cccc(C(=O)/C=C\c2ccc(O[C@@H](C)C(=O)[O-])cc2)c1 ZINC000794692920 602105440 /nfs/dbraw/zinc/10/54/40/602105440.db2.gz ZGEBVWDSMHTHRE-ZWXCPPHNSA-N -1 0 326.348 3.443 20 30 EGEDRM Cc1ccc(O)c(C(=O)/C=C\c2ccc(O[C@H](C)C(=O)[O-])cc2)c1 ZINC000794703547 602112289 /nfs/dbraw/zinc/11/22/89/602112289.db2.gz VQJURHLUOQWXJH-AGEOTTOMSA-N -1 0 326.348 3.449 20 30 EGEDRM C[C@H](Oc1ccc(C=CC(=O)c2c[nH]c3ncccc23)cc1)C(=O)[O-] ZINC000794704146 602299590 /nfs/dbraw/zinc/29/95/90/602299590.db2.gz XMUDSUUTFVALGP-LZGFCCKTSA-N -1 0 336.347 3.311 20 30 EGEDRM C=CCC[C@H](NC(=O)N[C@@H]1CCCN(C(=O)[O-])C1)c1ccccc1 ZINC000825664776 604507317 /nfs/dbraw/zinc/50/73/17/604507317.db2.gz KYIQDGGXBRWXCH-CVEARBPZSA-N -1 0 331.416 3.136 20 30 EGEDRM C=CCC[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])oc1C)c1ccccc1 ZINC000833373517 604508859 /nfs/dbraw/zinc/50/88/59/604508859.db2.gz RCLFXSJCVSGXQG-CQSZACIVSA-N -1 0 349.408 3.272 20 30 EGEDRM C=Cc1cc(OC)c(OCc2cccc(C(=O)[O-])c2C#N)c(OC)c1 ZINC000833380336 604548803 /nfs/dbraw/zinc/54/88/03/604548803.db2.gz BORUXWIBJLGNNX-UHFFFAOYSA-N -1 0 339.347 3.496 20 30 EGEDRM Cc1cc([C@@H](C)OC(=O)[C@H](C)Oc2ccc(C#N)cc2)oc1C(=O)[O-] ZINC000832877050 604555140 /nfs/dbraw/zinc/55/51/40/604555140.db2.gz SCDUEJSCKAUVAH-NEPJUHHUSA-N -1 0 343.335 3.230 20 30 EGEDRM Cc1cc([C@H](C)OC(=O)/C=C\c2ccccc2C#N)oc1C(=O)[O-] ZINC000832875158 604560743 /nfs/dbraw/zinc/56/07/43/604560743.db2.gz MTGXPSGEVFYHIA-KRZKBDHCSA-N -1 0 325.320 3.476 20 30 EGEDRM N#CCCN(CC1CC1)C(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC000833760435 604602817 /nfs/dbraw/zinc/60/28/17/604602817.db2.gz RXLSDPNMZSHTIW-UHFFFAOYSA-N -1 0 347.440 3.411 20 30 EGEDRM CC(=NNC(=S)NC1CCCCC1)[C@H](C)CCCCC(=O)[O-] ZINC000814715798 604634733 /nfs/dbraw/zinc/63/47/33/604634733.db2.gz LHBPFPLUIJMVKC-GFCCVEGCSA-N -1 0 327.494 3.440 20 30 EGEDRM CC(=NNC(=S)Nc1ccccc1F)c1ccc(C(=O)[O-])cc1 ZINC000825804475 604635809 /nfs/dbraw/zinc/63/58/09/604635809.db2.gz JURFIXPIWHZFIG-UHFFFAOYSA-N -1 0 331.372 3.235 20 30 EGEDRM CC(=NNc1ccc(Br)nc1)c1ccc(C(=O)[O-])cc1 ZINC000825804588 604641697 /nfs/dbraw/zinc/64/16/97/604641697.db2.gz NFPYGEIHVSBFJZ-UHFFFAOYSA-N -1 0 334.173 3.378 20 30 EGEDRM C#CC[C@@H](NC(=O)Nc1nc(CCC(=O)[O-])cs1)c1ccccc1 ZINC000833360935 604660157 /nfs/dbraw/zinc/66/01/57/604660157.db2.gz SVGCFBZCGUTIMJ-CQSZACIVSA-N -1 0 343.408 3.046 20 30 EGEDRM C#CCOc1cc(F)ccc1NC(=O)CCc1ccccc1C(=O)[O-] ZINC000777362125 604760593 /nfs/dbraw/zinc/76/05/93/604760593.db2.gz SVGLEDSQLNYWPO-UHFFFAOYSA-N -1 0 341.338 3.107 20 30 EGEDRM N#CC1(C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)CCCCC1 ZINC000833063983 604900041 /nfs/dbraw/zinc/90/00/41/604900041.db2.gz DASOQDIIVRIIAP-UHFFFAOYSA-N -1 0 336.775 3.216 20 30 EGEDRM C=CCC[C@H](NC(=O)CNC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000833373423 605003279 /nfs/dbraw/zinc/00/32/79/605003279.db2.gz OCZBWIKFPNUOMA-LBPRGKRZSA-N -1 0 330.306 3.097 20 30 EGEDRM C#CCCCCC(=O)Oc1cc(Br)cc(C(=O)[O-])c1 ZINC000833362888 605020703 /nfs/dbraw/zinc/02/07/03/605020703.db2.gz PNMJCXLHYHDXIV-UHFFFAOYSA-N -1 0 325.158 3.246 20 30 EGEDRM C#CCCSc1nc2ccccc2c(=O)n1CCCCCC(=O)[O-] ZINC000833365003 605056869 /nfs/dbraw/zinc/05/68/69/605056869.db2.gz GXNNENPVHHIAMT-UHFFFAOYSA-N -1 0 344.436 3.157 20 30 EGEDRM C=CCCCC(=O)N(C)[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC000833373380 605176827 /nfs/dbraw/zinc/17/68/27/605176827.db2.gz MYJNQJBVUZTHPN-AWEZNQCLSA-N -1 0 340.217 3.390 20 30 EGEDRM C=CCn1c(C)nnc1S[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000833379979 605334206 /nfs/dbraw/zinc/33/42/06/605334206.db2.gz SEICOUHUHDZACL-LBPRGKRZSA-N -1 0 341.795 3.483 20 30 EGEDRM C=C(C)CN(C)CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC000833368140 605389232 /nfs/dbraw/zinc/38/92/32/605389232.db2.gz BHJITCMOEXOEQI-UHFFFAOYSA-N -1 0 331.199 3.138 20 30 EGEDRM C=CCCO[C@H](C)C(=O)O[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000833373898 605505118 /nfs/dbraw/zinc/50/51/18/605505118.db2.gz IJUQTADURBXZBK-RNCFNFMXSA-N -1 0 330.739 3.129 20 30 EGEDRM C#CCCCCCC(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000833362080 605628260 /nfs/dbraw/zinc/62/82/60/605628260.db2.gz YMWVDTCFYMNXBI-OAHLLOKOSA-N -1 0 325.767 3.305 20 30 EGEDRM COc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc([N+](=O)[O-])c1[O-] ZINC000035335083 1291392427 /nfs/dbraw/zinc/39/24/27/1291392427.db2.gz OVCDRXOFSMFMDU-FARCUNLSSA-N -1 0 344.279 3.113 20 30 EGEDRM Cc1cccc(O[C@H](C)C(=O)[N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000042249401 1291438334 /nfs/dbraw/zinc/43/83/34/1291438334.db2.gz BCSMTWAPHNCATC-GFCCVEGCSA-N -1 0 337.372 3.247 20 30 EGEDRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)c1cc(Cl)ccc1Cl ZINC000042291332 1291439167 /nfs/dbraw/zinc/43/91/67/1291439167.db2.gz DUXUFFAMRSMLTJ-UHFFFAOYSA-N -1 0 349.195 3.292 20 30 EGEDRM Cc1ccccc1OCC(=O)[N-]S(=O)(=O)C=Cc1ccccc1 ZINC000042320803 1291440450 /nfs/dbraw/zinc/44/04/50/1291440450.db2.gz IHDPXULRDXVLBE-VAWYXSNFSA-N -1 0 331.393 3.331 20 30 EGEDRM O=C(CSc1ccc(F)c(F)c1)[N-]S(=O)(=O)c1ccccc1 ZINC000048405237 1291602974 /nfs/dbraw/zinc/60/29/74/1291602974.db2.gz ABDKRJDBSQWXJS-UHFFFAOYSA-N -1 0 343.376 3.402 20 30 EGEDRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)Cc1coc2cc(C)ccc12 ZINC000048490512 1291606519 /nfs/dbraw/zinc/60/65/19/1291606519.db2.gz LZIBJDGUWMYGTQ-UHFFFAOYSA-N -1 0 348.380 3.234 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)COC2CCCCC2)cc1C ZINC000048474596 1291606635 /nfs/dbraw/zinc/60/66/35/1291606635.db2.gz XHUCSRICHVRGBW-UHFFFAOYSA-N -1 0 325.430 3.298 20 30 EGEDRM N#Cc1cccc(S(=O)(=O)[N-]C(=O)c2cc(Cl)ccc2F)c1 ZINC000048599265 1291612255 /nfs/dbraw/zinc/61/22/55/1291612255.db2.gz ZZSBFEIDKVLOIL-UHFFFAOYSA-N -1 0 338.747 3.044 20 30 EGEDRM N#Cc1ccccc1C=CC(=O)[N-]S(=O)(=O)c1ccccc1F ZINC000048588448 1291612784 /nfs/dbraw/zinc/61/27/84/1291612784.db2.gz GCXLVBHYXHILEN-MDZDMXLPSA-N -1 0 330.340 3.056 20 30 EGEDRM CC(C)S(=O)(=O)[N-]C(=O)c1ccc(SC(F)(F)F)cc1 ZINC000049418030 1291628323 /nfs/dbraw/zinc/62/83/23/1291628323.db2.gz QIQYGHBJFMRCDU-UHFFFAOYSA-N -1 0 327.349 3.341 20 30 EGEDRM O=C([O-])CCOc1cccc(/C=C/C(=O)c2ccc3c(c2)OCO3)c1 ZINC000060212515 1291920242 /nfs/dbraw/zinc/92/02/42/1291920242.db2.gz XGOCDIUWAGQLFB-GQCTYLIASA-N -1 0 340.331 3.165 20 30 EGEDRM Cc1nc(C(C)(C)C)sc1C(=O)[N-]S(=O)(=O)c1ccccc1 ZINC000061066936 1291959105 /nfs/dbraw/zinc/95/91/05/1291959105.db2.gz YCNQBLRNUQSSFK-UHFFFAOYSA-N -1 0 338.454 3.443 20 30 EGEDRM C[C@@]1(C([O-])=C(C#N)c2nc3ccccc3o2)Cc2ccccc2C(=O)O1 ZINC000066516859 1292119793 /nfs/dbraw/zinc/11/97/93/1292119793.db2.gz HOIWNSVBZRAETJ-XOBRGWDASA-N -1 0 346.342 3.176 20 30 EGEDRM CC(C)n1cc(/C=C2/CCCc3cc(C(=O)[O-])ccc3C2=O)nn1 ZINC000828234764 1292444471 /nfs/dbraw/zinc/44/44/71/1292444471.db2.gz ZIAMTLIEFRLSKQ-LCYFTJDESA-N -1 0 325.368 3.160 20 30 EGEDRM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)CSc2ccncc2)c1 ZINC000077942966 1292491023 /nfs/dbraw/zinc/49/10/23/1292491023.db2.gz JQEZBQDYENPBJV-UHFFFAOYSA-N -1 0 336.438 3.136 20 30 EGEDRM COc1ccccc1C(=O)[N-]S(=O)(=O)Cc1ccccc1Cl ZINC000083791898 1292690511 /nfs/dbraw/zinc/69/05/11/1292690511.db2.gz RENXVQSTMRTRPK-UHFFFAOYSA-N -1 0 339.800 3.183 20 30 EGEDRM CC(C)(Cc1cccc(Cl)c1)C(=O)[N-]S(=O)(=O)N1CCCC1 ZINC000084848910 1292712555 /nfs/dbraw/zinc/71/25/55/1292712555.db2.gz UCRHSOMAJFTLBG-UHFFFAOYSA-N -1 0 344.864 3.206 20 30 EGEDRM C[C@@H](Oc1cccc(Cl)c1)C(=O)[N-]S(=O)(=O)C1CCCC1 ZINC000086056469 1292728908 /nfs/dbraw/zinc/72/89/08/1292728908.db2.gz UCJXLLCVCHGZEJ-SNVBAGLBSA-N -1 0 331.821 3.336 20 30 EGEDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)CCO[C@H](C)CC(C)C ZINC000088799626 1292756753 /nfs/dbraw/zinc/75/67/53/1292756753.db2.gz PLWQTNBQYMTBIL-CQSZACIVSA-N -1 0 327.446 3.482 20 30 EGEDRM CC[C@@H](C)n1ncc(C(=O)[N-]S(=O)(=O)c2ccccc2)c1C1CC1 ZINC000089963568 1292781806 /nfs/dbraw/zinc/78/18/06/1292781806.db2.gz JIGBMQXRWDTXAM-GFCCVEGCSA-N -1 0 347.440 3.425 20 30 EGEDRM COc1ccc2c(c1)CC/C(=C\c1ccc(OCC(=O)[O-])cc1)C2=O ZINC000096792355 1292953410 /nfs/dbraw/zinc/95/34/10/1292953410.db2.gz OTTAFARUUFERHR-XNTDXEJSSA-N -1 0 338.359 3.371 20 30 EGEDRM O=C([N-]S(=O)(=O)c1cccc(Cl)c1)[C@@H]1CC1(Cl)Cl ZINC000097465387 1292960645 /nfs/dbraw/zinc/96/06/45/1292960645.db2.gz ZVEFRWKPCNRRBC-QMMMGPOBSA-N -1 0 328.604 3.179 20 30 EGEDRM CC(CCc1ccc(OCCC(=O)[O-])cc1)=NN[C@H]1CCOC1(C)C ZINC000835022379 1293189502 /nfs/dbraw/zinc/18/95/02/1293189502.db2.gz ZZRBMTDVPUYFSP-KRWDZBQOSA-N -1 0 348.443 3.006 20 30 EGEDRM Cc1nc2ccccc2cc1C([O-])=C(C#N)C(=O)NC1CCCCC1 ZINC000835061235 1293195734 /nfs/dbraw/zinc/19/57/34/1293195734.db2.gz JZUMMJIXXVXRIA-QGZVFWFLSA-N -1 0 335.407 3.315 20 30 EGEDRM C=CC(C)(C)C(=O)[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1C ZINC000835236267 1293239424 /nfs/dbraw/zinc/23/94/24/1293239424.db2.gz PGUSAWLPCSELBP-UHFFFAOYSA-N -1 0 335.347 3.031 20 30 EGEDRM C[C@@H](Oc1cccc(C(=O)/C=C/c2cnc3ccccn23)c1)C(=O)[O-] ZINC000119135640 1293256116 /nfs/dbraw/zinc/25/61/16/1293256116.db2.gz ZDLWWELIWILPMK-MMQHEFTJSA-N -1 0 336.347 3.082 20 30 EGEDRM C=CC(C)(C)C(=O)[N-]S(=O)(=O)c1cc(C(C)C)c(OC)cc1C ZINC000835372907 1293277416 /nfs/dbraw/zinc/27/74/16/1293277416.db2.gz ZMRXHOQHVBPOBZ-UHFFFAOYSA-N -1 0 339.457 3.144 20 30 EGEDRM C[C@H]1CCc2c(C([O-])=C(C#N)C(=O)NC3CCCC3)csc2C1 ZINC000119713405 1293284091 /nfs/dbraw/zinc/28/40/91/1293284091.db2.gz SVVVBBLRJAUTSM-FZMZJTMJSA-N -1 0 330.453 3.254 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@H]2c2ccccc2)CC1 ZINC000835449632 1293293699 /nfs/dbraw/zinc/29/36/99/1293293699.db2.gz QFHXJPQSILTXQK-JKSUJKDBSA-N -1 0 333.453 3.125 20 30 EGEDRM Cc1sc(C([O-])=C(C#N)C(=O)NC2CC2)cc1-c1ccc(F)cc1 ZINC000120056074 1293301558 /nfs/dbraw/zinc/30/15/58/1293301558.db2.gz VNHMJSVQKREVRQ-OAHLLOKOSA-N -1 0 342.395 3.464 20 30 EGEDRM CC(C)NC(=O)C(C#N)=C([O-])c1ccc(OCC2CCCCC2)cc1 ZINC000121370929 1293367831 /nfs/dbraw/zinc/36/78/31/1293367831.db2.gz OFEYYYLGUCAICS-GOSISDBHSA-N -1 0 342.439 3.493 20 30 EGEDRM N#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000122356460 1293410240 /nfs/dbraw/zinc/41/02/40/1293410240.db2.gz QFQFKQCEIHYENG-UHFFFAOYSA-N -1 0 340.763 3.182 20 30 EGEDRM Cc1c(C([O-])=C(C#N)C(=O)c2nccn2C)sc2cccc(F)c12 ZINC000122682207 1293420977 /nfs/dbraw/zinc/42/09/77/1293420977.db2.gz PXOICRWDNLFBDH-JTQLQIEISA-N -1 0 341.367 3.288 20 30 EGEDRM CC(=CC(=O)C(C#N)=C([O-])c1nccn1C)c1cccc(Cl)c1 ZINC000123250066 1293438539 /nfs/dbraw/zinc/43/85/39/1293438539.db2.gz HQXXMEDCKLGRDO-KOTGUFOOSA-N -1 0 327.771 3.069 20 30 EGEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)CCSc1ccc(Cl)cc1 ZINC000123269526 1293439071 /nfs/dbraw/zinc/43/90/71/1293439071.db2.gz HWQRLAYYTYRYBO-ZDUSSCGKSA-N -1 0 347.827 3.147 20 30 EGEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(C2SCCS2)cc1 ZINC000124509695 1293477323 /nfs/dbraw/zinc/47/73/23/1293477323.db2.gz JFIFPFZAJPZMIQ-AWEZNQCLSA-N -1 0 346.477 3.110 20 30 EGEDRM N#CCOc1ccccc1C(=O)Nc1cc(Br)ccc1O ZINC000126437117 1293534607 /nfs/dbraw/zinc/53/46/07/1293534607.db2.gz GLTXKAGJVFQGMK-UHFFFAOYSA-N -1 0 347.168 3.309 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cnc([C@H]2CCCO2)s1 ZINC000127674705 1293570545 /nfs/dbraw/zinc/57/05/45/1293570545.db2.gz PWEOBYQLBCECDA-QWHCGFSZSA-N -1 0 349.456 3.014 20 30 EGEDRM Cc1nc(-c2ccc(F)cc2)sc1C([O-])=C(C#N)C(=O)NC(C)C ZINC000130715201 1293666597 /nfs/dbraw/zinc/66/65/97/1293666597.db2.gz XZZICMVPPOCHHV-ZDUSSCGKSA-N -1 0 345.399 3.105 20 30 EGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CCc1cccnc1 ZINC000136140301 1293810465 /nfs/dbraw/zinc/81/04/65/1293810465.db2.gz PQDQORMIOYILGH-MRXNPFEDSA-N -1 0 331.375 3.396 20 30 EGEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2cc(C)c(C)s2)cc1 ZINC000155053603 1294081834 /nfs/dbraw/zinc/08/18/34/1294081834.db2.gz SLXVVNYSLPDLPT-OAHLLOKOSA-N -1 0 342.420 3.012 20 30 EGEDRM COc1cc2c(c(/C=C/C(=O)c3ccc(O)cc3[O-])c1)O[C@H](C)C2 ZINC000156631091 1294152480 /nfs/dbraw/zinc/15/24/80/1294152480.db2.gz ONHDCHIDYNZDRZ-ZXCPCRMDSA-N -1 0 326.348 3.326 20 30 EGEDRM COCCCOc1cccc(/C=C/C(=O)c2cc(O)ccc2O)c1 ZINC000156642735 1294153464 /nfs/dbraw/zinc/15/34/64/1294153464.db2.gz SNRTXVSRXSSSQA-SOFGYWHQSA-N -1 0 328.364 3.409 20 30 EGEDRM C=CCC[C@H](OC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O)C1CC1 ZINC000159706686 1294244775 /nfs/dbraw/zinc/24/47/75/1294244775.db2.gz QGCBLYGVTZEIHZ-HNNXBMFYSA-N -1 0 344.436 3.124 20 30 EGEDRM C#Cc1cccc(N(CC)C(=O)c2cc(=O)n(-c3ccc(C)cc3)[n-]2)c1 ZINC000172769238 1294444257 /nfs/dbraw/zinc/44/42/57/1294444257.db2.gz OJPSLEGMCQYZED-UHFFFAOYSA-N -1 0 345.402 3.122 20 30 EGEDRM Cc1cccc(NC(=O)C(C#N)=C([O-])c2occc2Br)c1 ZINC000176091298 1294590803 /nfs/dbraw/zinc/59/08/03/1294590803.db2.gz PTXRQVHEURQYCV-LLVKDONJSA-N -1 0 347.168 3.312 20 30 EGEDRM Cc1c(C(=O)Nc2cc(C#N)ccc2[O-])cnn1Cc1ccccc1 ZINC000176392550 1294603738 /nfs/dbraw/zinc/60/37/38/1294603738.db2.gz CIKBUYNYHLVFNM-UHFFFAOYSA-N -1 0 332.363 3.069 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)c2ccc(F)cc2Br)c1 ZINC000176831164 1294635606 /nfs/dbraw/zinc/63/56/06/1294635606.db2.gz TVACGQNUUKTELO-UHFFFAOYSA-N -1 0 335.132 3.418 20 30 EGEDRM CC1CCC2(CC1)OC[C@@H](C/N=C/c1cc([N+](=O)[O-])ccc1[O-])O2 ZINC000182236541 1295029228 /nfs/dbraw/zinc/02/92/28/1295029228.db2.gz WLENSVSOUYEXOE-IMPYGVDHSA-N -1 0 334.372 3.041 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2O[C@@H](C)C#N)c(C)c1 ZINC000183127343 1295100910 /nfs/dbraw/zinc/10/09/10/1295100910.db2.gz RKEMNAZGUGLFMI-AWEZNQCLSA-N -1 0 330.409 3.395 20 30 EGEDRM C#CCOc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)CC)c1 ZINC000187083925 1295367834 /nfs/dbraw/zinc/36/78/34/1295367834.db2.gz JYZZUQIPTCGPBB-UHFFFAOYSA-N -1 0 343.404 3.092 20 30 EGEDRM Cc1nc(-c2ccc(C([O-])=C(C#N)C(=O)N3CCCC3)s2)cs1 ZINC000870133372 1295692655 /nfs/dbraw/zinc/69/26/55/1295692655.db2.gz VTSZXDBXZLGFFX-LLVKDONJSA-N -1 0 345.449 3.125 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc2ccn(C)c2c1 ZINC000870133544 1295692789 /nfs/dbraw/zinc/69/27/89/1295692789.db2.gz BGQWTLBLZDVIOO-INIZCTEOSA-N -1 0 325.412 3.197 20 30 EGEDRM CNC(=O)C(C#N)=C([O-])c1ccnc(Oc2ccc(C(C)C)cc2)c1 ZINC000870155867 1295709323 /nfs/dbraw/zinc/70/93/23/1295709323.db2.gz ZXFSVVYHTYDTKT-MRXNPFEDSA-N -1 0 337.379 3.066 20 30 EGEDRM CCCCCCCS(=O)(=O)[N-]c1cn(Cc2ccccc2)nn1 ZINC000192624943 1295783692 /nfs/dbraw/zinc/78/36/92/1295783692.db2.gz QTMUELFNGFSLHJ-UHFFFAOYSA-N -1 0 336.461 3.039 20 30 EGEDRM C[C@@H](Oc1cccc(/C=C\C(=O)c2ccc3c(c2)OCO3)c1)C(=O)[O-] ZINC000208115827 1296098242 /nfs/dbraw/zinc/09/82/42/1296098242.db2.gz YOLIQGDCEKVBDW-SMYYYNMVSA-N -1 0 340.331 3.163 20 30 EGEDRM COc1ccc(/C=C\C(=O)c2ccc(OC)c(CC(=O)[O-])c2)cc1 ZINC000213551911 1296110458 /nfs/dbraw/zinc/11/04/58/1296110458.db2.gz GIWZMWVRJZQVHK-UITAMQMPSA-N -1 0 326.348 3.227 20 30 EGEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000246010865 1296334885 /nfs/dbraw/zinc/33/48/85/1296334885.db2.gz RIYXTDFAYLAMOR-OKZBNKHCSA-N -1 0 343.386 3.269 20 30 EGEDRM C[C@@H](Oc1cccc(/C=C\C(=O)c2ccc(Cl)nc2)c1)C(=O)[O-] ZINC000255059473 1296493968 /nfs/dbraw/zinc/49/39/68/1296493968.db2.gz YRUYOJSGYNBZOK-JPVGGKMYSA-N -1 0 331.755 3.483 20 30 EGEDRM O=C1CCC(=O)N1Cc1ccc(N=Cc2cc(Cl)ccc2O)cc1 ZINC000255091289 1296497814 /nfs/dbraw/zinc/49/78/14/1296497814.db2.gz VXULMLNJDWXXGV-UHFFFAOYSA-N -1 0 342.782 3.445 20 30 EGEDRM Cc1ccc(C(=O)/C=C\c2ccc([N+](=O)[O-])c([O-])c2)cc1[N+](=O)[O-] ZINC000255164033 1296505920 /nfs/dbraw/zinc/50/59/20/1296505920.db2.gz WTOONGKEXPVSRF-DAXSKMNVSA-N -1 0 328.280 3.413 20 30 EGEDRM O=C(/C=C\c1cnn(Cc2ccccc2)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000255396780 1296530878 /nfs/dbraw/zinc/53/08/78/1296530878.db2.gz DWIJICCXZUNJBB-VURMDHGXSA-N -1 0 349.346 3.441 20 30 EGEDRM COc1cc(C(=O)/C=C\c2cc(F)c([O-])c(F)c2)c(OC)cc1O ZINC000255540939 1296542498 /nfs/dbraw/zinc/54/24/98/1296542498.db2.gz NBWOJTBVCWYFQL-ARJAWSKDSA-N -1 0 336.290 3.289 20 30 EGEDRM COc1ccc2c(c1)C(=O)/C(=C/c1ccc(OCCC(=O)[O-])cc1)C2 ZINC000255841363 1296570982 /nfs/dbraw/zinc/57/09/82/1296570982.db2.gz FALQABPZYWCDBB-XNTDXEJSSA-N -1 0 338.359 3.371 20 30 EGEDRM COc1cc(C(=O)/C=C\c2cn(C)nc2C(C)(C)C)c(OC)cc1O ZINC000255917049 1296581103 /nfs/dbraw/zinc/58/11/03/1296581103.db2.gz YJCFNSMAPBIWTJ-FPLPWBNLSA-N -1 0 344.411 3.337 20 30 EGEDRM O=C([O-])COc1cccc(/C=C2/COc3ccc(Cl)cc3C2=O)c1 ZINC000588425773 1298066299 /nfs/dbraw/zinc/06/62/99/1298066299.db2.gz MVOMVOKYBBHVQE-SDQBBNPISA-N -1 0 344.750 3.462 20 30 EGEDRM C#Cc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)c1 ZINC000747604191 1298808438 /nfs/dbraw/zinc/80/84/38/1298808438.db2.gz DUFYLBQGFCNZAR-UHFFFAOYSA-N -1 0 349.795 3.129 20 30 EGEDRM N#C[C@@H]([N-]C(=O)C(F)(F)C(F)F)c1ccc(OC(F)(F)F)cc1 ZINC000749386394 1299206198 /nfs/dbraw/zinc/20/61/98/1299206198.db2.gz SBJDVSRIKIJUNS-MRVPVSSYSA-N -1 0 344.186 3.166 20 30 EGEDRM O=C(/C=C/c1cc(F)c([O-])c(F)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000749893044 1299293751 /nfs/dbraw/zinc/29/37/51/1299293751.db2.gz XCDODFLLKHLSND-ORCRQEGFSA-N -1 0 329.302 3.451 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2cc(Cl)ccc2Cl)C(=O)O1 ZINC000753715575 1300009144 /nfs/dbraw/zinc/00/91/44/1300009144.db2.gz SIFUNZKHVYDPMQ-DQWBNOTDSA-N -1 0 325.147 3.222 20 30 EGEDRM Cc1nnc(NN=Cc2ccc(Sc3ccccc3)cc2)[n-]c1=O ZINC000753917872 1300039396 /nfs/dbraw/zinc/03/93/96/1300039396.db2.gz CFEWLEDTUWXBOK-UHFFFAOYSA-N -1 0 337.408 3.483 20 30 EGEDRM Cc1nnc([S-])n(N=C[C@H](C)Cc2ccc(C(C)(C)C)cc2)c1=O ZINC000754701893 1300194819 /nfs/dbraw/zinc/19/48/19/1300194819.db2.gz YVPXIWVJWNIUBW-GFCCVEGCSA-N -1 0 344.484 3.246 20 30 EGEDRM Cn1c(C=NNc2ccc(Cl)c(C(=O)[O-])c2)nc2ccccc21 ZINC000755466423 1300342624 /nfs/dbraw/zinc/34/26/24/1300342624.db2.gz BJUFDQNAQPQWPC-UHFFFAOYSA-N -1 0 328.759 3.371 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1[N-][NH+]=Cc1ccc(N(C)C)c(F)c1 ZINC000756899338 1300585369 /nfs/dbraw/zinc/58/53/69/1300585369.db2.gz XHEFIZHIYGZFAP-UHFFFAOYSA-N -1 0 331.347 3.045 20 30 EGEDRM O=C([N-]CCSC(F)(F)F)C(F)(F)c1c(F)cccc1F ZINC000756927690 1300591179 /nfs/dbraw/zinc/59/11/79/1300591179.db2.gz FYOVAGCGHGZLEH-UHFFFAOYSA-N -1 0 335.244 3.426 20 30 EGEDRM Cc1ccc(O)c(C(=O)/C=C\c2cccc(O[C@@H](C)C(=O)[O-])c2)c1 ZINC000757467741 1300674021 /nfs/dbraw/zinc/67/40/21/1300674021.db2.gz JGJCQYIUDVNMAA-JWJUJFCLSA-N -1 0 326.348 3.449 20 30 EGEDRM CC(=NN=c1[nH]c2ccccc2n1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000758106365 1300787100 /nfs/dbraw/zinc/78/71/00/1300787100.db2.gz IAZKLDPMSAXPDY-UHFFFAOYSA-N -1 0 325.328 3.023 20 30 EGEDRM Fc1ccc(C=Nn2c(=S)[n-]nc2C(F)(F)F)c2ncccc12 ZINC000759187668 1301035941 /nfs/dbraw/zinc/03/59/41/1301035941.db2.gz RZDVTIFUMWJGBO-UHFFFAOYSA-N -1 0 341.293 3.155 20 30 EGEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2cc(Cl)cs2)cc1 ZINC000759440370 1301092983 /nfs/dbraw/zinc/09/29/83/1301092983.db2.gz IQETVMFRTZAXKP-ZDUSSCGKSA-N -1 0 348.811 3.049 20 30 EGEDRM CCC(CC)(CC)C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000761155412 1301412431 /nfs/dbraw/zinc/41/24/31/1301412431.db2.gz FXICJAIAADYXGM-UHFFFAOYSA-N -1 0 342.848 3.233 20 30 EGEDRM Cn1cnc2cc(C=NNc3ccc(Cl)c(C(=O)[O-])c3)ccc21 ZINC000761253011 1301429056 /nfs/dbraw/zinc/42/90/56/1301429056.db2.gz KEGQNAQTCUWUSA-UHFFFAOYSA-N -1 0 328.759 3.371 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000762048436 1301601085 /nfs/dbraw/zinc/60/10/85/1301601085.db2.gz OMUSPIPKNCDUIF-UHFFFAOYSA-N -1 0 326.396 3.115 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)c(F)c2)o1 ZINC000882797777 1302109427 /nfs/dbraw/zinc/10/94/27/1302109427.db2.gz XMRDRVYSAZNHRO-UHFFFAOYSA-N -1 0 349.387 3.081 20 30 EGEDRM CC[C@@H](C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1)C1CCC(C)CC1 ZINC000764760314 1302129630 /nfs/dbraw/zinc/12/96/30/1302129630.db2.gz VTFLHSPHOPZVOC-PUJMQQBBSA-N -1 0 348.468 3.216 20 30 EGEDRM C=CCS(=O)(=O)[N-]C(=O)/C(C)=C/c1c(Cl)cccc1Cl ZINC000766891052 1302540665 /nfs/dbraw/zinc/54/06/65/1302540665.db2.gz VNNSNESWXBCJKW-CMDGGOBGSA-N -1 0 334.224 3.029 20 30 EGEDRM CC(=NNc1cc(C#N)cc(Cl)n1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000768376039 1302891699 /nfs/dbraw/zinc/89/16/99/1302891699.db2.gz ORYZZHKOXUOLEH-UHFFFAOYSA-N -1 0 331.719 3.057 20 30 EGEDRM C=CCCCCNC(=O)c1cc2ccccc2cc1[N-]S(C)(=O)=O ZINC000770081586 1303219308 /nfs/dbraw/zinc/21/93/08/1303219308.db2.gz IBNBNIRHVKPGKV-UHFFFAOYSA-N -1 0 346.452 3.297 20 30 EGEDRM [O-]c1c(Cl)cc(Cl)cc1/C=N/[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000770568843 1303286787 /nfs/dbraw/zinc/28/67/87/1303286787.db2.gz PRHOEIJXVMNCML-VHPQNALSSA-N -1 0 330.211 3.456 20 30 EGEDRM CCOc1ccc(NC(=S)NN=C(C)c2ccc(C(=O)[O-])o2)cc1 ZINC000773005709 1303605689 /nfs/dbraw/zinc/60/56/89/1303605689.db2.gz MDRMOQGFPOJZGL-UHFFFAOYSA-N -1 0 347.396 3.087 20 30 EGEDRM CN1C(=O)CCc2cc(/C=C/C(=O)c3cc(F)cc(F)c3[O-])ccc21 ZINC000774134798 1303777646 /nfs/dbraw/zinc/77/76/46/1303777646.db2.gz GFZDOBQIYLURMZ-ZZXKWVIFSA-N -1 0 343.329 3.476 20 30 EGEDRM COc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000775297496 1303936148 /nfs/dbraw/zinc/93/61/48/1303936148.db2.gz RDCOPPMGLYSDOY-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM C#CCOc1ccccc1[N-]S(=O)(=O)c1cccc(C)c1Cl ZINC000775298314 1303936563 /nfs/dbraw/zinc/93/65/63/1303936563.db2.gz PUASOYWLBDSWOV-UHFFFAOYSA-N -1 0 335.812 3.461 20 30 EGEDRM CCC[C@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)CC(C)(C)C#N ZINC000776144455 1304101364 /nfs/dbraw/zinc/10/13/64/1304101364.db2.gz OXHDUABWZTUGIK-OAHLLOKOSA-N -1 0 342.505 3.369 20 30 EGEDRM CC(N=Nc1ncnc2sccc21)c1ccc(C(=O)[O-])c(F)c1 ZINC000776763892 1304195167 /nfs/dbraw/zinc/19/51/67/1304195167.db2.gz SWWDXHBOXJHAEG-UHFFFAOYSA-N -1 0 330.344 3.365 20 30 EGEDRM CC(C)c1ccsc1C(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC000779314313 1304555311 /nfs/dbraw/zinc/55/53/11/1304555311.db2.gz YIZBHBZQHHWBKG-UHFFFAOYSA-N -1 0 340.470 3.015 20 30 EGEDRM CSc1nnc(C/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])s1 ZINC000782193572 1304928254 /nfs/dbraw/zinc/92/82/54/1304928254.db2.gz AHYFNBXRAIHBMZ-YIXHJXPBSA-N -1 0 344.805 3.146 20 30 EGEDRM O=C([O-])c1csc(/C=C/C(=O)c2ccc(N3CCOC3=O)cc2)c1 ZINC000782199045 1304930239 /nfs/dbraw/zinc/93/02/39/1304930239.db2.gz AMSBZOQTWCHQGU-AATRIKPKSA-N -1 0 343.360 3.299 20 30 EGEDRM Cc1cc(C)c(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)o1 ZINC000786534271 1305591608 /nfs/dbraw/zinc/59/16/08/1305591608.db2.gz JCAKSVUCYVZVML-CQSZACIVSA-N -1 0 330.771 3.189 20 30 EGEDRM C=C[C@@](C)(CC)COC(=O)c1ccc2c(c1)[n-]c(=S)n(CC)c2=O ZINC000786531559 1305591860 /nfs/dbraw/zinc/59/18/60/1305591860.db2.gz ZRWBQKVJNSISTO-SFHVURJKSA-N -1 0 346.452 3.464 20 30 EGEDRM CCOc1ccc(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)cc1 ZINC000786545048 1305594111 /nfs/dbraw/zinc/59/41/11/1305594111.db2.gz DBQFADKLMLIIHV-GOSISDBHSA-N -1 0 336.391 3.033 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)c(C)s1 ZINC000786543799 1305594261 /nfs/dbraw/zinc/59/42/61/1305594261.db2.gz SVYQHJXBCWBUJD-MRXNPFEDSA-N -1 0 326.421 3.312 20 30 EGEDRM Cc1cscc1C([O-])=C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786540743 1305594467 /nfs/dbraw/zinc/59/44/67/1305594467.db2.gz YNMVQNBQVLIBEY-CYBMUJFWSA-N -1 0 332.812 3.349 20 30 EGEDRM Cc1ccc(C([O-])=C(C#N)C(=O)NCc2ccc(F)cc2F)cc1C ZINC000786555982 1305597717 /nfs/dbraw/zinc/59/77/17/1305597717.db2.gz YQXRUUFDITVTND-MRXNPFEDSA-N -1 0 342.345 3.221 20 30 EGEDRM N#CC(C(=O)NCc1ccc(F)cc1F)=C([O-])c1cccc(Cl)c1 ZINC000786561169 1305599233 /nfs/dbraw/zinc/59/92/33/1305599233.db2.gz OEQDWJMXGJGVQT-AWEZNQCLSA-N -1 0 348.736 3.257 20 30 EGEDRM N#Cc1cccc(-c2cc(C(=O)Nc3nc(Cl)ccc3[O-])on2)c1 ZINC000790055017 1306254076 /nfs/dbraw/zinc/25/40/76/1306254076.db2.gz ADQPNCBEAGSFMH-UHFFFAOYSA-N -1 0 340.726 3.220 20 30 EGEDRM O=C([O-])CCOc1ccc(CN=Nc2cccc(F)c2[N+](=O)[O-])cc1 ZINC000790310394 1306297516 /nfs/dbraw/zinc/29/75/16/1306297516.db2.gz GLQVLFJOVLZAKA-UHFFFAOYSA-N -1 0 347.302 3.033 20 30 EGEDRM C=CCC1(C(=O)[N-]S(=O)(=O)c2ccc(CC(C)C)cc2)CCC1 ZINC000791873824 1309081180 /nfs/dbraw/zinc/08/11/80/1309081180.db2.gz MOAXEWNCKNYEBV-UHFFFAOYSA-N -1 0 335.469 3.436 20 30 EGEDRM CC[C@H](NN=Cc1cn(Cc2ccccc2)c2ccccc12)C(=O)[O-] ZINC000793071983 1309290635 /nfs/dbraw/zinc/29/06/35/1309290635.db2.gz KDBGOZNANZUGOA-SFHVURJKSA-N -1 0 335.407 3.476 20 30 EGEDRM CC[C@@H](NN=C(Cc1cccc(OC)c1)c1ccccc1)C(=O)[O-] ZINC000793073300 1309290955 /nfs/dbraw/zinc/29/09/55/1309290955.db2.gz RTBJMIHKCYXZJW-QGZVFWFLSA-N -1 0 326.396 3.095 20 30 EGEDRM CC[C@@H](NN=Cc1cccc(OCc2ccccc2F)c1)C(=O)[O-] ZINC000793073527 1309291005 /nfs/dbraw/zinc/29/10/05/1309291005.db2.gz WZNOSMTUHDLCNT-QGZVFWFLSA-N -1 0 330.359 3.191 20 30 EGEDRM CC[C@H](NN=Cc1cccc(OCc2ccc(F)cc2)c1)C(=O)[O-] ZINC000793079885 1309291462 /nfs/dbraw/zinc/29/14/62/1309291462.db2.gz UUNAEXZNQCBTIQ-KRWDZBQOSA-N -1 0 330.359 3.191 20 30 EGEDRM CC[C@H](NN=C1CCCc2nc(-c3ccc(F)cc3)sc21)C(=O)[O-] ZINC000793078567 1309291499 /nfs/dbraw/zinc/29/14/99/1309291499.db2.gz NYANISIGNIQMSD-LBPRGKRZSA-N -1 0 347.415 3.442 20 30 EGEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1ccc2c(c1)CCC=C2 ZINC000793126174 1309300548 /nfs/dbraw/zinc/30/05/48/1309300548.db2.gz SCIJEHQOMQLWHK-IBGZPJMESA-N -1 0 330.387 3.285 20 30 EGEDRM COC(=O)c1csc(C(=O)/C=C\c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000794723273 1309581436 /nfs/dbraw/zinc/58/14/36/1309581436.db2.gz CLRCPQIOVIZTEG-HYXAFXHYSA-N -1 0 333.321 3.045 20 30 EGEDRM COC(=O)c1csc(C(=O)/C=C/c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000794723272 1309581819 /nfs/dbraw/zinc/58/18/19/1309581819.db2.gz CLRCPQIOVIZTEG-HWKANZROSA-N -1 0 333.321 3.045 20 30 EGEDRM CC(C)(CC(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1)C1CCCCC1 ZINC000796612820 1310047183 /nfs/dbraw/zinc/04/71/83/1310047183.db2.gz KNHJBUFNBMWFPF-UHFFFAOYSA-N -1 0 348.468 3.360 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc2oc(C)nc2c1 ZINC000796632627 1310051314 /nfs/dbraw/zinc/05/13/14/1310051314.db2.gz SKTNUXXHQJMTPN-CQSZACIVSA-N -1 0 327.384 3.155 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cnc2c(F)cccc2c1 ZINC000796740552 1310076071 /nfs/dbraw/zinc/07/60/71/1310076071.db2.gz LNHOBXYPZKSUCV-AWEZNQCLSA-N -1 0 327.359 3.003 20 30 EGEDRM CC(C)c1c(Cl)ncnc1N=NCc1cccc(OCC(=O)[O-])c1 ZINC000797405046 1310184914 /nfs/dbraw/zinc/18/49/14/1310184914.db2.gz VBAGLSIJWFZQPK-UHFFFAOYSA-N -1 0 348.790 3.163 20 30 EGEDRM CCCCCCCS(=O)(=O)[N-]c1n[nH]c2ccc(OC)cc21 ZINC000799642771 1310594146 /nfs/dbraw/zinc/59/41/46/1310594146.db2.gz NRAMGYWZPBMUDI-UHFFFAOYSA-N -1 0 325.434 3.284 20 30 EGEDRM CCCCCCCS(=O)(=O)[N-]c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000799643522 1310594460 /nfs/dbraw/zinc/59/44/60/1310594460.db2.gz XULXUPITOLTRPE-UHFFFAOYSA-N -1 0 340.405 3.183 20 30 EGEDRM CC(=CN=Nc1nnc(C)c(=O)[n-]1)Cc1ccccc1C(F)(F)F ZINC000799869129 1310632076 /nfs/dbraw/zinc/63/20/76/1310632076.db2.gz JMHWOUHCDWPJFX-WXAXAHAHSA-N -1 0 337.305 3.406 20 30 EGEDRM Cn1cc(Oc2ccccc2C(=O)Nc2cc(C#N)ccc2[O-])cn1 ZINC000801178598 1310876829 /nfs/dbraw/zinc/87/68/29/1310876829.db2.gz LTHUVOGRJVBDJX-UHFFFAOYSA-N -1 0 334.335 3.042 20 30 EGEDRM C[C@@H](Oc1cccc(C(=O)/C=C/c2ccnn2C2CCC2)c1)C(=O)[O-] ZINC000899350508 1316998293 /nfs/dbraw/zinc/99/82/93/1316998293.db2.gz GRAUXVSCELZOBX-MMQHEFTJSA-N -1 0 340.379 3.356 20 30 EGEDRM C=CC[C@@H](C(=O)[N-]S(=O)(=O)c1sccc1C)c1ccccc1 ZINC000802870172 1317051308 /nfs/dbraw/zinc/05/13/08/1317051308.db2.gz FOIFQKHEEUYFPR-CQSZACIVSA-N -1 0 335.450 3.221 20 30 EGEDRM C[C@@]1(C(=O)[O-])[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000899776615 1317153529 /nfs/dbraw/zinc/15/35/29/1317153529.db2.gz YXDHRYDDOOJTIC-TWGXZMITSA-N -1 0 338.407 3.061 20 30 EGEDRM C=CCN(Cc1ccccc1F)C(=O)[C@H]1[C@H]2C=C[C@H](C2)[C@@]1(C)C(=O)[O-] ZINC000899802292 1317165921 /nfs/dbraw/zinc/16/59/21/1317165921.db2.gz DFIISPYMLJAZKC-ISNZEAQHSA-N -1 0 343.398 3.253 20 30 EGEDRM C=C(C)COCCNC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000805206481 1317326980 /nfs/dbraw/zinc/32/69/80/1317326980.db2.gz ISHUPJKECJASAS-UHFFFAOYSA-N -1 0 333.215 3.091 20 30 EGEDRM Cc1ccccc1-n1cc(/C=C/C(=O)c2csc(C(=O)[O-])c2)nn1 ZINC000806571715 1317503238 /nfs/dbraw/zinc/50/32/38/1317503238.db2.gz MTBIKRVRAFMUJT-VOTSOKGWSA-N -1 0 339.376 3.232 20 30 EGEDRM COc1ccc2c(c1F)C/C(=C\c1cccc(OCC(=O)[O-])c1)C2=O ZINC000809156882 1317776705 /nfs/dbraw/zinc/77/67/05/1317776705.db2.gz OLDAIOYZKAGOAH-KPKJPENVSA-N -1 0 342.322 3.120 20 30 EGEDRM CC1(C)COc2ccc(C([O-])=C(C#N)C(=O)NC3CCCCC3)cc21 ZINC000810530109 1318018433 /nfs/dbraw/zinc/01/84/33/1318018433.db2.gz VVJPYDUPHAWLQY-HNNXBMFYSA-N -1 0 340.423 3.128 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]23)CC1 ZINC000810983664 1318086183 /nfs/dbraw/zinc/08/61/83/1318086183.db2.gz FHVJGRSCRODREB-RRFJBIMHSA-N -1 0 325.474 3.148 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@H](CC)C2CCC(C)CC2)CC1 ZINC000810983477 1318086208 /nfs/dbraw/zinc/08/62/08/1318086208.db2.gz BQSZXPJSSHACNB-YMAMQOFZSA-N -1 0 327.490 3.394 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)CCCc2cc(C)sc2C)CC1 ZINC000810983310 1318086877 /nfs/dbraw/zinc/08/68/77/1318086877.db2.gz PMNHSCJKPBASPI-UHFFFAOYSA-N -1 0 341.498 3.242 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)C[C@@H](C)c2c[nH]c3ccccc32)CC1 ZINC000810988730 1318088259 /nfs/dbraw/zinc/08/82/59/1318088259.db2.gz PQVRVHVDDDPAAJ-CYBMUJFWSA-N -1 0 346.452 3.216 20 30 EGEDRM N#CCc1cccc(S(=O)(=O)[N-]c2nc(-c3ccco3)cs2)c1 ZINC000811822712 1318274572 /nfs/dbraw/zinc/27/45/72/1318274572.db2.gz LRZOGMCRIKEEGE-UHFFFAOYSA-N -1 0 345.405 3.270 20 30 EGEDRM C#CCON=C(C)c1cc(Br)cc(Br)c1[O-] ZINC000812236789 1318349599 /nfs/dbraw/zinc/34/95/99/1318349599.db2.gz YOEDKRPUUHBPJZ-UHFFFAOYSA-N -1 0 347.006 3.291 20 30 EGEDRM C=CCOc1ccc(C(=O)N2CCC[C@]2(CCC)C(=O)[O-])cc1OC ZINC000910116924 1318571726 /nfs/dbraw/zinc/57/17/26/1318571726.db2.gz BTBBGWOSAJDMSU-LJQANCHMSA-N -1 0 347.411 3.120 20 30 EGEDRM O=C([O-])COc1ccc(Br)cc1C=NOCCC1CC1 ZINC000814247128 1318710364 /nfs/dbraw/zinc/71/03/64/1318710364.db2.gz SGGQSUJYTWUKLQ-UHFFFAOYSA-N -1 0 342.189 3.063 20 30 EGEDRM C=CC(C)(C)CC(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1 ZINC000911597327 1318750636 /nfs/dbraw/zinc/75/06/36/1318750636.db2.gz BXPFCVWXBJSCMC-UHFFFAOYSA-N -1 0 330.428 3.390 20 30 EGEDRM Cc1ccc(C)c(NC(=S)NN=C2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c1 ZINC000814707321 1318802155 /nfs/dbraw/zinc/80/21/55/1318802155.db2.gz NYFOTJURPPKMII-GXTWGEPZSA-N -1 0 333.457 3.467 20 30 EGEDRM O=C([O-])C1(c2cccc(Cl)c2)CC(N=Nc2ccnc(F)c2)C1 ZINC000814902547 1318844274 /nfs/dbraw/zinc/84/42/74/1318844274.db2.gz OSMDAKIBANXGJO-UHFFFAOYSA-N -1 0 333.750 3.458 20 30 EGEDRM C[C@H](CCc1ccc2c(c1)OCO2)NN=C1CC[C@@H](C(=O)[O-])C[C@@H]1C ZINC000814924272 1318849924 /nfs/dbraw/zinc/84/99/24/1318849924.db2.gz JBBBLSNAVMQMLE-GZBFAFLISA-N -1 0 346.427 3.203 20 30 EGEDRM CC(=NN[C@@H]1CCSC1)c1oc2cc(C)ccc2c1CC(=O)[O-] ZINC000814933123 1318853229 /nfs/dbraw/zinc/85/32/29/1318853229.db2.gz DZXCJJIOIWGKCP-GFCCVEGCSA-N -1 0 332.425 3.187 20 30 EGEDRM COC(=O)c1cc(N=Cc2cc([N+](=O)[O-])ccc2[O-])ccc1Cl ZINC000912787347 1318932654 /nfs/dbraw/zinc/93/26/54/1318932654.db2.gz IQJYHMSIWUQFPZ-UHFFFAOYSA-N -1 0 334.715 3.491 20 30 EGEDRM N#C[C@@H]([N-]C(=O)[C@@H](F)C(F)(F)F)c1ccc(OC(F)(F)F)cc1 ZINC000815538071 1319011815 /nfs/dbraw/zinc/01/18/15/1319011815.db2.gz SMBYIDRYIMBVKK-RKDXNWHRSA-N -1 0 344.186 3.166 20 30 EGEDRM Cc1cc(C#N)cnc1C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000816681802 1319207538 /nfs/dbraw/zinc/20/75/38/1319207538.db2.gz HNUUWPCWZWNYEU-UHFFFAOYSA-N -1 0 336.178 3.204 20 30 EGEDRM COc1cc(C=NNc2nccc3sccc32)cc([N+](=O)[O-])c1[O-] ZINC000915979563 1319578252 /nfs/dbraw/zinc/57/82/52/1319578252.db2.gz JKUJCLRRIROMJX-UHFFFAOYSA-N -1 0 344.352 3.365 20 30 EGEDRM CN(C)c1ccc(/C=C\C(=O)c2cccc(OCC(=O)[O-])c2)cc1 ZINC000916156804 1319612249 /nfs/dbraw/zinc/61/22/49/1319612249.db2.gz ILFGBYRRAPZZRC-FLIBITNWSA-N -1 0 325.364 3.112 20 30 EGEDRM O=S(=O)(NN=Cc1cc(Cl)cc(Cl)c1[O-])c1ccccc1 ZINC000916268435 1319627823 /nfs/dbraw/zinc/62/78/23/1319627823.db2.gz IDBFRGDHQALOHT-UHFFFAOYSA-N -1 0 345.207 3.011 20 30 EGEDRM CC(C)OCCCNC(=O)C(C#N)=C([O-])c1ccc2ccccc2c1 ZINC000916872797 1319717157 /nfs/dbraw/zinc/71/71/57/1319717157.db2.gz OBQAUOKDBYAIGN-SFHVURJKSA-N -1 0 338.407 3.094 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cc2cccc(OC)c2o1 ZINC000916878141 1319719061 /nfs/dbraw/zinc/71/90/61/1319719061.db2.gz OXWLKVGIYUXFKK-ZDUSSCGKSA-N -1 0 328.368 3.070 20 30 EGEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1ccc(C(F)(F)F)cc1 ZINC000916892789 1319720403 /nfs/dbraw/zinc/72/04/03/1319720403.db2.gz NGGYWMOHKUCWAC-CQSZACIVSA-N -1 0 338.329 3.477 20 30 EGEDRM C=CCNC(=O)C(C#N)=C([O-])c1ccc2[nH]c3c(c2c1)CCCCC3 ZINC000916921021 1319725280 /nfs/dbraw/zinc/72/52/80/1319725280.db2.gz PRXHJKTZGXRONK-MRXNPFEDSA-N -1 0 335.407 3.061 20 30 EGEDRM CNC(=O)C(C#N)=C([O-])c1sc2cccc(Cl)c2c1Cl ZINC000917002860 1319736195 /nfs/dbraw/zinc/73/61/95/1319736195.db2.gz VDHVDZZRMMVDQC-ZCFIWIBFSA-N -1 0 327.192 3.277 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)n(C)n1 ZINC000917519381 1319826624 /nfs/dbraw/zinc/82/66/24/1319826624.db2.gz OPIIUGCGRQRILH-JTQLQIEISA-N -1 0 330.800 3.482 20 30 EGEDRM CC(=NNc1[n-]cnc2ncnc1-2)c1cc(C)ccc1OC(F)F ZINC000917554515 1319836276 /nfs/dbraw/zinc/83/62/76/1319836276.db2.gz APWGGGRXCXLNLJ-UHFFFAOYSA-N -1 0 332.314 3.099 20 30 EGEDRM O=C([O-])c1cc(/C=C\C(=O)c2ccc([N+](=O)[O-])cc2F)ccc1O ZINC000821008623 1319992458 /nfs/dbraw/zinc/99/24/58/1319992458.db2.gz RGTRAJHQNPOFSU-KTAJNNJTSA-N -1 0 331.255 3.034 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)N2CCc3sccc3[C@H]2C)cc1C#N ZINC000822382873 1320078012 /nfs/dbraw/zinc/07/80/12/1320078012.db2.gz QTNAQDSWQDLFJL-SECBINFHSA-N -1 0 345.449 3.202 20 30 EGEDRM C=CCC[C@H](NC(=O)c1oc2ccccc2c1CSC)C(=O)[O-] ZINC000823371513 1320173016 /nfs/dbraw/zinc/17/30/16/1320173016.db2.gz BQXFYWGUJPCVIT-ZDUSSCGKSA-N -1 0 333.409 3.445 20 30 EGEDRM C=C[C@H](C)O[N-]C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 ZINC000824033347 1320223713 /nfs/dbraw/zinc/22/37/13/1320223713.db2.gz JVGAZKARWVCHSR-GXTWGEPZSA-N -1 0 332.400 3.148 20 30 EGEDRM CC1(C)Cc2cc(C([O-])=C(C#N)C(=O)NC3CCCCC3)ccc2O1 ZINC000842687598 1321419812 /nfs/dbraw/zinc/41/98/12/1321419812.db2.gz ZZAAXEQHMYFFPB-INIZCTEOSA-N -1 0 340.423 3.171 20 30 EGEDRM COc1cc(/C=C\C(=O)c2coc(C(C)C)n2)ccc1OCC(=O)[O-] ZINC000844551718 1321619928 /nfs/dbraw/zinc/61/99/28/1321619928.db2.gz HDJZITOVMXNRBM-XQRVVYSFSA-N -1 0 345.351 3.166 20 30 EGEDRM C=C[C@H](C)O[N-]C(=O)CSCc1ccc(Br)cc1 ZINC000846540881 1321791685 /nfs/dbraw/zinc/79/16/85/1321791685.db2.gz BCDWFTRAAYQBEG-JTQLQIEISA-N -1 0 330.247 3.305 20 30 EGEDRM C=C[C@@H](C)O[N-]C(=O)c1nn(CCCCCC)c(=O)c2ccccc21 ZINC000846541992 1321791848 /nfs/dbraw/zinc/79/18/48/1321791848.db2.gz RFTMEIDVRIBZER-CQSZACIVSA-N -1 0 343.427 3.213 20 30 EGEDRM C=C[C@H](C)O[N-]C(=O)Cc1csc(-c2ccc(OCC)cc2)n1 ZINC000846545303 1321792612 /nfs/dbraw/zinc/79/26/12/1321792612.db2.gz VPLQTKNZGINAMW-LBPRGKRZSA-N -1 0 332.425 3.374 20 30 EGEDRM C=C[C@@H](C)O[N-]C(=O)[C@H]1CN(C(=O)OC(C)(C)C)Cc2ccccc21 ZINC000846555725 1321793895 /nfs/dbraw/zinc/79/38/95/1321793895.db2.gz XWDFRDASOSLTRO-CJNGLKHVSA-N -1 0 346.427 3.143 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(CC)s2)n1 ZINC000920327527 1322163899 /nfs/dbraw/zinc/16/38/99/1322163899.db2.gz TVUGWBPOSKAFPZ-SNVBAGLBSA-N -1 0 334.422 3.434 20 30 EGEDRM Cc1nn(C)c2nc(Cl)c(C=NNc3ccc(C(=O)[O-])cc3)cc12 ZINC000920359731 1322168253 /nfs/dbraw/zinc/16/82/53/1322168253.db2.gz QNCMHPAVNXTZSF-UHFFFAOYSA-N -1 0 343.774 3.074 20 30 EGEDRM CCCCCCCC[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1cccnc1 ZINC000850939532 1322313447 /nfs/dbraw/zinc/31/34/47/1322313447.db2.gz WMTIDFAQGNACCX-OAHLLOKOSA-N -1 0 340.489 3.414 20 30 EGEDRM Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)[N-]C(=O)CCCC#N ZINC000851469557 1323049316 /nfs/dbraw/zinc/04/93/16/1323049316.db2.gz QXSVMDMPVQYHBR-UHFFFAOYSA-N -1 0 336.457 3.100 20 30 EGEDRM C#CCO[N-]C(=O)C1(c2ccccc2Br)CCCCC1 ZINC000855606521 1325402741 /nfs/dbraw/zinc/40/27/41/1325402741.db2.gz JVMHHKLUGNODMM-UHFFFAOYSA-N -1 0 336.229 3.332 20 30 EGEDRM C=CCCC(=O)[N-]S(=O)(=O)c1ccc(OCCC)c(C(C)C)c1 ZINC000857050564 1325563329 /nfs/dbraw/zinc/56/33/29/1325563329.db2.gz QNOPTZGJLBBGLS-UHFFFAOYSA-N -1 0 339.457 3.370 20 30 EGEDRM CCO[C@@H]1CC(N=Nc2nc3ccccc3[nH]c2=S)[C@]12CCCO2 ZINC000863125094 1329529919 /nfs/dbraw/zinc/52/99/19/1329529919.db2.gz MYDIYEOWGMWPFO-RHSMWYFYSA-N -1 0 344.440 3.418 20 30 EGEDRM COc1ccc(/C=C/C(=O)c2cnn(C(C)C)c2C)cc1C(=O)[O-] ZINC000865222971 1329677340 /nfs/dbraw/zinc/67/73/40/1329677340.db2.gz CDPGAUNHBFEAQT-FNORWQNLSA-N -1 0 328.368 3.375 20 30 EGEDRM C=C[C@@H]1CCCCN1C(=O)c1cc(Br)cc(F)c1[O-] ZINC000867880107 1330225471 /nfs/dbraw/zinc/22/54/71/1330225471.db2.gz KOLFZZWKATYWRB-SNVBAGLBSA-N -1 0 328.181 3.475 20 30 EGEDRM O=C(CCC(=O)C1=CC=C[CH]1)N[C@H]1CCc2[nH]c3ccccc3c2C1 ZINC001184246459 1387419509 /nfs/dbraw/zinc/41/95/09/1387419509.db2.gz ULNKGYZEJZXPMY-HNNXBMFYSA-N -1 0 333.411 3.191 20 30 EGEDRM N#Cc1cc(Br)cc([N-]S(=O)(=O)c2ccsc2)c1 ZINC001185384704 1387698979 /nfs/dbraw/zinc/69/89/79/1387698979.db2.gz WGRIYUMWCMMNEE-UHFFFAOYSA-N -1 0 343.227 3.183 20 30 EGEDRM Cc1c(Cl)c(C#N)ccc1[N-]S(=O)(=O)c1ccc(Cl)nc1 ZINC001185687328 1387778790 /nfs/dbraw/zinc/77/87/90/1387778790.db2.gz NVRQVGQAMMNPMH-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM Cc1c(F)cccc1S(=O)(=O)[N-]c1c(F)c(F)ccc1C#N ZINC001185837049 1387810779 /nfs/dbraw/zinc/81/07/79/1387810779.db2.gz ROWHWMFTIKFZIQ-UHFFFAOYSA-N -1 0 326.299 3.085 20 30 EGEDRM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(C#N)c2ncccc12 ZINC001185837109 1387811021 /nfs/dbraw/zinc/81/10/21/1387811021.db2.gz VXIAGFZKVGCGQP-UHFFFAOYSA-N -1 0 341.367 3.355 20 30 EGEDRM Cc1c(F)cccc1S(=O)(=O)[N-]c1cc(F)cc(F)c1C#N ZINC001185836402 1387811344 /nfs/dbraw/zinc/81/13/44/1387811344.db2.gz HOQKUFMFCWBVEP-UHFFFAOYSA-N -1 0 326.299 3.085 20 30 EGEDRM C#Cc1cccnc1[N-]S(=O)(=O)Cc1ccccc1C(F)(F)F ZINC001189498978 1367037488 /nfs/dbraw/zinc/03/74/88/1367037488.db2.gz OALKRVGHSCMUKD-UHFFFAOYSA-N -1 0 340.326 3.024 20 30 EGEDRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2scc(C)c2C#N)c1 ZINC001189563669 1367055419 /nfs/dbraw/zinc/05/54/19/1367055419.db2.gz NKEOQJYYMNANTH-UHFFFAOYSA-N -1 0 342.829 3.391 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cnc3cc(F)ccc3c2)c1 ZINC001190619458 1367309711 /nfs/dbraw/zinc/30/97/11/1367309711.db2.gz NGAKTKQPBVSXFO-UHFFFAOYSA-N -1 0 345.330 3.185 20 30 EGEDRM N#Cc1cc([N-]S(=O)(=O)C(Cl)(Cl)Cl)ccc1Cl ZINC001192034092 1367670987 /nfs/dbraw/zinc/67/09/87/1367670987.db2.gz CDIDZLLUSMUCEA-UHFFFAOYSA-N -1 0 334.011 3.281 20 30 EGEDRM C=C(C)c1ccccc1NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC001186188351 1387892779 /nfs/dbraw/zinc/89/27/79/1387892779.db2.gz KHQUUDILMIMZGP-UHFFFAOYSA-N -1 0 335.356 3.358 20 30 EGEDRM Cc1cc(C#N)c([N-]S(=O)(=O)c2cnc(Cl)cc2C)s1 ZINC001192310785 1367745817 /nfs/dbraw/zinc/74/58/17/1367745817.db2.gz LFSRKEUHAJRISQ-UHFFFAOYSA-N -1 0 327.818 3.086 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2ccc([C@@H](C)C#N)cc2)cnc1Cl ZINC001192570514 1367820823 /nfs/dbraw/zinc/82/08/23/1367820823.db2.gz LOSYQHQIEZBRSF-NSHDSACASA-N -1 0 335.816 3.471 20 30 EGEDRM N#Cc1cc(NC(=O)[C@H]2CC(=O)c3cc(Cl)ccc32)ccc1O ZINC001186253348 1387907846 /nfs/dbraw/zinc/90/78/46/1387907846.db2.gz ZCFGPAJUCZCHOU-AWEZNQCLSA-N -1 0 326.739 3.226 20 30 EGEDRM CNc1ccc(C#N)cc1NC(=O)c1cc(Cl)nc(Cl)c1[O-] ZINC001193092772 1367942541 /nfs/dbraw/zinc/94/25/41/1367942541.db2.gz BERPTACHOHUTOJ-UHFFFAOYSA-N -1 0 337.166 3.260 20 30 EGEDRM N#Cc1c(Cl)c(Cl)ccc1[N-]S(=O)(=O)c1ccccc1N ZINC001193932454 1368149789 /nfs/dbraw/zinc/14/97/89/1368149789.db2.gz PJIRQWBTLHMAJO-UHFFFAOYSA-N -1 0 342.207 3.248 20 30 EGEDRM N#Cc1cccc([N-]S(=O)(=O)c2ccc(-c3cccs3)cc2)n1 ZINC001194142177 1368190949 /nfs/dbraw/zinc/19/09/49/1368190949.db2.gz PLDRLPXKNZUVOO-UHFFFAOYSA-N -1 0 341.417 3.483 20 30 EGEDRM Cc1cc(C#N)cc([N-]S(=O)(=O)c2ncccc2C(F)(F)F)c1 ZINC001194575989 1368289960 /nfs/dbraw/zinc/28/99/60/1368289960.db2.gz CBTGAKOLYGUXSG-UHFFFAOYSA-N -1 0 341.314 3.081 20 30 EGEDRM CCOC(=O)c1[nH]c2ccccc2c1NC(=O)c1ccc(C#N)cc1[O-] ZINC001195733690 1368479443 /nfs/dbraw/zinc/47/94/43/1368479443.db2.gz VKVXCGZXNWCWDL-UHFFFAOYSA-N -1 0 349.346 3.174 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2nc(F)cc(C(F)(F)F)c2F)c([O-])c1 ZINC001195733943 1368479553 /nfs/dbraw/zinc/47/95/53/1368479553.db2.gz ZIVICMDWHOBEMB-UHFFFAOYSA-N -1 0 343.211 3.208 20 30 EGEDRM N#Cc1c([N-]S(=O)(=O)c2ccc(O)cc2)cccc1C(F)(F)F ZINC001195802802 1368493523 /nfs/dbraw/zinc/49/35/23/1368493523.db2.gz MTMJOGXQUKREEK-UHFFFAOYSA-N -1 0 342.298 3.083 20 30 EGEDRM C=CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1F ZINC001196385069 1368603574 /nfs/dbraw/zinc/60/35/74/1368603574.db2.gz WUVOTOWUEVRQPN-UHFFFAOYSA-N -1 0 349.383 3.278 20 30 EGEDRM N#Cc1cccc2c1CC[C@H]2NC(=O)c1cc(Cl)c(F)cc1[O-] ZINC001196477932 1368623600 /nfs/dbraw/zinc/62/36/00/1368623600.db2.gz JVMRSVDDNYUAGO-OAHLLOKOSA-N -1 0 330.746 3.474 20 30 EGEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(-c2ccco2)no1 ZINC001196650215 1368656179 /nfs/dbraw/zinc/65/61/79/1368656179.db2.gz JCBFIHMRUXKGMM-UHFFFAOYSA-N -1 0 349.755 3.260 20 30 EGEDRM CC(C)(C)c1noc(NC(=S)Nc2ccc(C(=O)[O-])cc2)c1C#N ZINC001197076546 1368741015 /nfs/dbraw/zinc/74/10/15/1368741015.db2.gz IBYDRJYWIWMJPJ-UHFFFAOYSA-N -1 0 344.396 3.351 20 30 EGEDRM N#Cc1ccc2c(c1)CN(C(=S)Nc1ccc(C(=O)[O-])cc1)CC2 ZINC001197085690 1368743078 /nfs/dbraw/zinc/74/30/78/1368743078.db2.gz ROHMJUTXTRHJRX-UHFFFAOYSA-N -1 0 337.404 3.012 20 30 EGEDRM CCCCCCCC(=O)c1ccc([O-])c(C(=O)Nc2cn(C)nn2)c1 ZINC001197366679 1368799416 /nfs/dbraw/zinc/79/94/16/1368799416.db2.gz VNIMHQPXVMHJLG-UHFFFAOYSA-N -1 0 344.415 3.316 20 30 EGEDRM Cc1cc(Cl)nc([N-]S(=O)(=O)c2ccc3occc3c2)c1C#N ZINC001198828889 1369123886 /nfs/dbraw/zinc/12/38/86/1369123886.db2.gz KQZWELLUMURPGE-UHFFFAOYSA-N -1 0 347.783 3.462 20 30 EGEDRM CCNC(=O)Nc1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1F ZINC001202548990 1369804475 /nfs/dbraw/zinc/80/44/75/1369804475.db2.gz IOSRYUWBSZBMKZ-UHFFFAOYSA-N -1 0 348.218 3.279 20 30 EGEDRM C=CCNC(=O)Nc1cccc(C([O-])(C(F)(F)F)C(F)(F)F)c1 ZINC001202571941 1369810116 /nfs/dbraw/zinc/81/01/16/1369810116.db2.gz HFSNMIARXJQCQC-UHFFFAOYSA-N -1 0 342.239 3.306 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)c2cc3c(s2)CCCC3)cc1F ZINC001187209043 1388072355 /nfs/dbraw/zinc/07/23/55/1388072355.db2.gz JBIOCHFJTOWFIF-UHFFFAOYSA-N -1 0 336.413 3.438 20 30 EGEDRM CC(C)(C)OC(=O)C[C@H]1C[C@@H](C(=O)Nc2cc(C#N)c(F)cc2[O-])C1 ZINC001187211289 1388073030 /nfs/dbraw/zinc/07/30/30/1388073030.db2.gz GZZWDOMFWPHUCN-PHIMTYICSA-N -1 0 348.374 3.099 20 30 EGEDRM COc1cc(C#N)cc([N-]S(=O)(=O)c2cc3c(s2)CCCC3)c1 ZINC001187215263 1388073916 /nfs/dbraw/zinc/07/39/16/1388073916.db2.gz OABRPRRQUMXWPD-UHFFFAOYSA-N -1 0 348.449 3.308 20 30 EGEDRM C=CC[C@H](NC(=O)c1ccc(-c2ccc(OC)cc2)cc1F)C(=O)[O-] ZINC001116906487 1370998455 /nfs/dbraw/zinc/99/84/55/1370998455.db2.gz KZLXJCXIPGHLEK-KRWDZBQOSA-N -1 0 343.354 3.260 20 30 EGEDRM C=C1CCC(C(=O)[N-]S(=O)(=O)Cc2c(F)cccc2Cl)CC1 ZINC001119494086 1371355218 /nfs/dbraw/zinc/35/52/18/1371355218.db2.gz GONAPZZGABVJOE-UHFFFAOYSA-N -1 0 345.823 3.172 20 30 EGEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cc3n(n2)CCCC3=O)s1 ZINC001122900004 1372338662 /nfs/dbraw/zinc/33/86/62/1372338662.db2.gz IPBLXQJJUKCVEN-SNVBAGLBSA-N -1 0 342.424 3.104 20 30 EGEDRM N#Cc1cc([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)cs1 ZINC001187933768 1388193891 /nfs/dbraw/zinc/19/38/91/1388193891.db2.gz JUDVFQGRCCPSKF-UHFFFAOYSA-N -1 0 334.209 3.122 20 30 EGEDRM C[C@@H]1CC(=O)C=C(Nc2ccc(S(=O)(=O)[O-])c3ccccc23)C1 ZINC001210773590 1372424268 /nfs/dbraw/zinc/42/42/68/1372424268.db2.gz ZSQFCIUUQQRAOY-NSHDSACASA-N -1 0 331.393 3.381 20 30 EGEDRM CCn1ccnc1[C@@H](C#N)C(=O)c1cnn(CC)c1-c1ccccc1 ZINC001123336809 1372430726 /nfs/dbraw/zinc/43/07/26/1372430726.db2.gz LDKPEFHMAINFKF-HNNXBMFYSA-N -1 0 333.395 3.276 20 30 EGEDRM C=CCOC(=O)c1ccccc1Nc1cccc(C(=O)[O-])c1OC ZINC001211038768 1372475063 /nfs/dbraw/zinc/47/50/63/1372475063.db2.gz HNXIYWRWAVLPMW-UHFFFAOYSA-N -1 0 327.336 3.480 20 30 EGEDRM CC(C)(C)C(C)(C)C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC001211968470 1372641833 /nfs/dbraw/zinc/64/18/33/1372641833.db2.gz PCNMQOJWJZMVHR-UHFFFAOYSA-N -1 0 330.400 3.187 20 30 EGEDRM CC(C)(C)c1ccc(-c2noc(-c3nc[n-]c3[N+](=O)[O-])n2)c(C#N)c1 ZINC001212893098 1372791277 /nfs/dbraw/zinc/79/12/77/1372791277.db2.gz MDSYDDAJOUHAGS-UHFFFAOYSA-N -1 0 338.327 3.204 20 30 EGEDRM COc1cc(C#N)c(Nc2ccc(CCC(=O)[O-])cc2)cc1OC ZINC001213629551 1372936821 /nfs/dbraw/zinc/93/68/21/1372936821.db2.gz FEYMSMAKIRAGMA-UHFFFAOYSA-N -1 0 326.352 3.336 20 30 EGEDRM C=CCn1cnc2c1ncnc2Nc1cc(C(=O)[O-])c(Cl)cc1F ZINC001214740297 1373113014 /nfs/dbraw/zinc/11/30/14/1373113014.db2.gz OXOVKOPFIHSLSW-UHFFFAOYSA-N -1 0 347.737 3.247 20 30 EGEDRM N#Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(N)c(Cl)c1 ZINC001216126928 1373268171 /nfs/dbraw/zinc/26/81/71/1373268171.db2.gz DOEDCKUBLRHUQC-UHFFFAOYSA-N -1 0 342.207 3.248 20 30 EGEDRM COC(=O)c1scc(C#N)c1Nc1cc(C)c(C(=O)[O-])c(C)c1 ZINC001216309585 1373297900 /nfs/dbraw/zinc/29/79/00/1373297900.db2.gz DRCHFCQFOVXPSI-UHFFFAOYSA-N -1 0 330.365 3.465 20 30 EGEDRM COc1c(Cl)ccc([O-])c1-c1nc(-c2ccc(C#N)cn2)no1 ZINC001216310759 1373297961 /nfs/dbraw/zinc/29/79/61/1373297961.db2.gz MGKJBGRFXIEDKI-UHFFFAOYSA-N -1 0 328.715 3.038 20 30 EGEDRM N#Cc1cc(-c2nc(-c3ncccc3Br)no2)ccc1[O-] ZINC001216969613 1373373455 /nfs/dbraw/zinc/37/34/55/1373373455.db2.gz IZVVFTHMPWJCJN-UHFFFAOYSA-N -1 0 343.140 3.138 20 30 EGEDRM N#Cc1cc(F)cc(-c2noc(-c3cc(O)c([O-])c(Cl)c3)n2)c1 ZINC001216977161 1373374156 /nfs/dbraw/zinc/37/41/56/1373374156.db2.gz FIXNSSKANMXZHA-UHFFFAOYSA-N -1 0 331.690 3.479 20 30 EGEDRM N#Cc1ccc(-c2nc(-c3ccc4c(c3)CCCC4=O)no2)c([O-])c1 ZINC001217039704 1373382137 /nfs/dbraw/zinc/38/21/37/1373382137.db2.gz YAJBJZRIMYKVDS-UHFFFAOYSA-N -1 0 331.331 3.500 20 30 EGEDRM N#Cc1cc(F)cc(-c2noc(-c3cc(=O)c4ccccc4[n-]3)n2)c1 ZINC001217368534 1373433049 /nfs/dbraw/zinc/43/30/49/1373433049.db2.gz VFLXILDYDSEGFJ-UHFFFAOYSA-N -1 0 332.294 3.256 20 30 EGEDRM C=C[C@]1(C)CC[C@@H](C(C)(C)Oc2nc(C(F)(F)F)cc(=O)[n-]2)O1 ZINC001225980927 1375183082 /nfs/dbraw/zinc/18/30/82/1375183082.db2.gz RWFXIULHRDWLJO-IINYFYTJSA-N -1 0 332.322 3.482 20 30 EGEDRM C=C[C@@H](Oc1c(C(=O)OCC)c[nH]c(=O)c1[N+](=O)[O-])c1ccccc1 ZINC001226323646 1375239875 /nfs/dbraw/zinc/23/98/75/1375239875.db2.gz DXOBATQSXNELOJ-CYBMUJFWSA-N -1 0 344.323 3.178 20 30 EGEDRM C=C[C@@]1(C)CC[C@@H](Oc2n[n-]c(=O)cc2Br)C(C)(C)O1 ZINC001226849743 1375345460 /nfs/dbraw/zinc/34/54/60/1375345460.db2.gz QAWBLUBOGGVWNG-YGRLFVJLSA-N -1 0 343.221 3.226 20 30 EGEDRM C[C@H](CC(C)(C)S)Oc1ccc(S(=O)(=O)[O-])c2cccnc12 ZINC001227440814 1375431085 /nfs/dbraw/zinc/43/10/85/1375431085.db2.gz OOYFKKWKSLWUHX-SNVBAGLBSA-N -1 0 341.454 3.347 20 30 EGEDRM N#C[C@@H]1CC[C@@H](Oc2c(Cl)cc(Cl)cc2S(=O)(=O)[O-])C1 ZINC001230110780 1375944292 /nfs/dbraw/zinc/94/42/92/1375944292.db2.gz BMLADUOCTQOQHO-VXNVDRBHSA-N -1 0 336.196 3.311 20 30 EGEDRM N#Cc1ccc([O-])c(CN2CCO[C@H](c3ccc(F)c(F)c3)C2)c1 ZINC001232678459 1376500515 /nfs/dbraw/zinc/50/05/15/1376500515.db2.gz GUNIBHKNJXIYSB-SFHVURJKSA-N -1 0 330.334 3.116 20 30 EGEDRM Cc1ccc(F)c(-c2nccnc2[C@H](C#N)C(=O)OC(C)(C)C)c1[O-] ZINC001236389362 1376951489 /nfs/dbraw/zinc/95/14/89/1376951489.db2.gz BBAWINRGWWAPEZ-NSHDSACASA-N -1 0 343.358 3.246 20 30 EGEDRM N#Cc1cccc(Cl)c1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC001259090575 1377121321 /nfs/dbraw/zinc/12/13/21/1377121321.db2.gz FMYXVSUVDFXOAY-UHFFFAOYSA-N -1 0 328.727 3.291 20 30 EGEDRM COc1cccc(S(=O)(=O)[N-]c2ccc(Cl)c(F)c2C#N)c1 ZINC001259190007 1377121743 /nfs/dbraw/zinc/12/17/43/1377121743.db2.gz POARMUHPGHAZTI-UHFFFAOYSA-N -1 0 340.763 3.160 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccn(C3CCCCC3)n2)cc1F ZINC001327708367 1388588145 /nfs/dbraw/zinc/58/81/45/1388588145.db2.gz LEKGVRZJGZYSRU-UHFFFAOYSA-N -1 0 348.403 3.200 20 30 EGEDRM COc1ccc(C#N)cc1NC(=O)c1cc2cccc(O)c2cc1[O-] ZINC001149652146 1379421270 /nfs/dbraw/zinc/42/12/70/1379421270.db2.gz YMLITQBEDTXRGN-UHFFFAOYSA-N -1 0 334.331 3.384 20 30 EGEDRM N=C(c1ccccc1N)N(O)C(=O)c1cc2ccccc2nc1Cl ZINC001152411170 1379929629 /nfs/dbraw/zinc/92/96/29/1379929629.db2.gz QLIPHYJQTCBEKB-UHFFFAOYSA-N -1 0 340.770 3.327 20 30 EGEDRM CCOC(=O)NC(=S)Nc1ncccc1N[C@H]1CC[C@H](C#N)CC1 ZINC001167847695 1383758135 /nfs/dbraw/zinc/75/81/35/1383758135.db2.gz PETMXRGQJYCCJU-HAQNSBGRSA-N -1 0 347.444 3.019 20 30 EGEDRM CN=c1scc(-c2ccc(O)cc2O)n1N=Cc1ccccc1F ZINC001317756501 1385446385 /nfs/dbraw/zinc/44/63/85/1385446385.db2.gz MMPIJFLEIJZZRD-UHFFFAOYSA-N -1 0 343.383 3.180 20 30 EGEDRM CN1CCN(c2ccc(/C=C/C(=O)c3ccc(O)cc3)cc2F)CC1 ZINC001317891518 1385565212 /nfs/dbraw/zinc/56/52/12/1385565212.db2.gz YAOLGSBAOGNDNM-YCRREMRBSA-N -1 0 340.398 3.179 20 30 EGEDRM COC(=O)c1cc(C#N)ccc1Nc1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001176588458 1385633913 /nfs/dbraw/zinc/63/39/13/1385633913.db2.gz LWWFBMSBMJEVKQ-UHFFFAOYSA-N -1 0 336.347 3.205 20 30 EGEDRM CC(=O)c1ccc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c(C#N)c1 ZINC001176679495 1385656702 /nfs/dbraw/zinc/65/67/02/1385656702.db2.gz HSWFLCFCCCRFNA-UHFFFAOYSA-N -1 0 325.280 3.111 20 30 EGEDRM N#Cc1c(F)c(F)cc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1F ZINC001176680251 1385656819 /nfs/dbraw/zinc/65/68/19/1385656819.db2.gz WHJGTLJNKPRWRQ-UHFFFAOYSA-N -1 0 337.213 3.326 20 30 EGEDRM C=CCN(C(=O)CSc1n[n-]c(=S)s1)C1CCCCC1 ZINC001177344097 1385922322 /nfs/dbraw/zinc/92/23/22/1385922322.db2.gz NYHGLBYEFHQCNW-UHFFFAOYSA-N -1 0 329.516 3.266 20 30 EGEDRM N#Cc1ccc(NC(=O)Cc2ccc(F)cc2Br)c(O)c1 ZINC001179627681 1386534951 /nfs/dbraw/zinc/53/49/51/1386534951.db2.gz QVZLCXMATXUZAC-UHFFFAOYSA-N -1 0 349.159 3.347 20 30 EGEDRM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ncccc1C#N ZINC001320923451 1386759545 /nfs/dbraw/zinc/75/95/45/1386759545.db2.gz MDTBYHNOZFUVTQ-UHFFFAOYSA-N -1 0 329.425 3.360 20 30 EGEDRM C=CCOc1ccccc1[C@@H](C)NC(=O)C1(C(=O)[O-])CCCCC1 ZINC001180440452 1386797136 /nfs/dbraw/zinc/79/71/36/1386797136.db2.gz PRMYFZIZCRVSFC-CQSZACIVSA-N -1 0 331.412 3.464 20 30 EGEDRM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC001339813255 1390157681 /nfs/dbraw/zinc/15/76/81/1390157681.db2.gz RYSKEUOAZYMGFY-QGZVFWFLSA-N -1 0 345.443 3.083 20 30 EGEDRM N#CC(=C([O-])c1nc(-c2ccccc2)oc1C1CC1)c1ccncn1 ZINC001342582242 1390628965 /nfs/dbraw/zinc/62/89/65/1390628965.db2.gz VQRZWQDWESIHRY-AWEZNQCLSA-N -1 0 330.347 3.499 20 30 EGEDRM CCc1ccc(-c2nc(C([O-])=C(C#N)C(=O)NC(C)C)cs2)cc1 ZINC001342604377 1390631005 /nfs/dbraw/zinc/63/10/05/1390631005.db2.gz GPHNJYGWTOIDKW-AWEZNQCLSA-N -1 0 341.436 3.220 20 30 EGEDRM CC(C)c1cccc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)n1 ZINC001343355558 1390709290 /nfs/dbraw/zinc/70/92/90/1390709290.db2.gz SOGUOTOJNOXKTB-ZDUSSCGKSA-N -1 0 331.379 3.220 20 30 EGEDRM CCCCn1cc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)c(C)n1 ZINC001343366704 1390709666 /nfs/dbraw/zinc/70/96/66/1390709666.db2.gz PJXJWMGZRNUBAA-CQSZACIVSA-N -1 0 348.410 3.007 20 30 EGEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1cccc2c1OCC2)c1ccccc1 ZINC001344580538 1390800896 /nfs/dbraw/zinc/80/08/96/1390800896.db2.gz RZOOMRWREDPUJA-QZTJIDSGSA-N -1 0 348.402 3.211 20 30 EGEDRM COc1ccc(-c2cc(C([O-])=C(C#N)c3cccc(F)n3)n[nH]2)cc1 ZINC001344585233 1390801169 /nfs/dbraw/zinc/80/11/69/1390801169.db2.gz ARDCOCFTPOCUAO-CYBMUJFWSA-N -1 0 336.326 3.109 20 30 EGEDRM Cn1nc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cc1C(F)(F)F ZINC001344965984 1390827973 /nfs/dbraw/zinc/82/79/73/1390827973.db2.gz NDQSTZRVJXCMGK-QMMMGPOBSA-N -1 0 340.330 3.263 20 30 EGEDRM CCn1ccnc1C(C#N)=C([O-])C(CC)(CC)C(=O)OC(C)(C)C ZINC001345646671 1390871872 /nfs/dbraw/zinc/87/18/72/1390871872.db2.gz MMIIDBCGMSNWIT-ZDUSSCGKSA-N -1 0 333.432 3.227 20 30 EGEDRM CC(C)Oc1ccc(NCc2ccccc2-c2nn[n-]n2)cc1C#N ZINC000820174665 1428940211 /nfs/dbraw/zinc/94/02/11/1428940211.db2.gz VLOABIDGBIJUHZ-UHFFFAOYSA-N -1 0 334.383 3.138 20 30 EGEDRM Cc1c(C(=O)C=Cc2ccccc2C)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737424227 1428972268 /nfs/dbraw/zinc/97/22/68/1428972268.db2.gz UMDHVCQMNJLQCR-MDZDMXLPSA-N -1 0 333.395 3.127 20 30 EGEDRM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NCc1cccc(C#N)c1 ZINC000820155025 1429196262 /nfs/dbraw/zinc/19/62/62/1429196262.db2.gz HJARJTALCRTYLV-UHFFFAOYSA-N -1 0 334.383 3.138 20 30 EGEDRM CC(C)c1ncc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)s1 ZINC000824364338 1429654945 /nfs/dbraw/zinc/65/49/45/1429654945.db2.gz BOOXCUWNATUUGG-XQRVVYSFSA-N -1 0 343.387 3.482 20 30 EGEDRM CCCCCCCC[C@H](C)CC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000825272252 1425466803 /nfs/dbraw/zinc/46/68/03/1425466803.db2.gz ZAMPQWZGUDJACI-ZDUSSCGKSA-N -1 0 347.467 3.316 20 30 EGEDRM Cc1ccc2c(c1)C(=O)C(=Cc1ccc(-c3nn[n-]n3)s1)CCO2 ZINC000822274647 1425582469 /nfs/dbraw/zinc/58/24/69/1425582469.db2.gz DRCNSPNOSYVESU-PKNBQFBNSA-N -1 0 338.392 3.285 20 30 EGEDRM C=CCCCN(C)c1c(-c2nn[n-]n2)cnc2c(C)cc(F)cc21 ZINC000819739921 1425659422 /nfs/dbraw/zinc/65/94/22/1425659422.db2.gz KWDZXDFRACEYJK-UHFFFAOYSA-N -1 0 326.379 3.265 20 30 EGEDRM COc1ccc(CNc2ccc(Cl)cc2C#N)cc1-c1nn[n-]n1 ZINC000826204099 1425741372 /nfs/dbraw/zinc/74/13/72/1425741372.db2.gz XFMNPRZFGLEUGX-UHFFFAOYSA-N -1 0 340.774 3.012 20 30 EGEDRM COc1ccc(C=CC(=O)c2cccc(F)c2F)cc1-c1nn[n-]n1 ZINC000826190912 1425861177 /nfs/dbraw/zinc/86/11/77/1425861177.db2.gz QNSVCKXZECDWLI-FNORWQNLSA-N -1 0 342.305 3.050 20 30 EGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C=C(C)C(C)(C)C ZINC000819744163 1425901032 /nfs/dbraw/zinc/90/10/32/1425901032.db2.gz YMCGNGKAACYRSI-SDNWHVSQSA-N -1 0 339.443 3.374 20 30 EGEDRM Fc1ccc(C#CCOc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000822765922 1426249531 /nfs/dbraw/zinc/24/95/31/1426249531.db2.gz BHTZPDIORNROIB-UHFFFAOYSA-N -1 0 328.734 3.090 20 30 EGEDRM COc1ccc(C)cc1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000826190190 1427392877 /nfs/dbraw/zinc/39/28/77/1427392877.db2.gz SOKGIWQBYMWHQV-ALCCZGGFSA-N -1 0 338.342 3.219 20 30 EGEDRM C=CCCOCCCCC(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1 ZINC000823898783 1427666020 /nfs/dbraw/zinc/66/60/20/1427666020.db2.gz BAAHTSJRYUEKLE-UHFFFAOYSA-N -1 0 349.460 3.247 20 30 EGEDRM Cc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc(C)c1O ZINC000826266535 1428200763 /nfs/dbraw/zinc/20/07/63/1428200763.db2.gz RUCZHALYKQHPOM-ONEGZZNKSA-N -1 0 326.381 3.147 20 30 EGEDRM C[C@@H](Nc1cc(-c2nn[n-]n2)c2ccccc2n1)c1ccc(C#N)cc1 ZINC000736140690 1430108979 /nfs/dbraw/zinc/10/89/79/1430108979.db2.gz ZRNHEXLJILVWRR-GFCCVEGCSA-N -1 0 341.378 3.460 20 30 EGEDRM CC(C)c1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC000735922979 1430124011 /nfs/dbraw/zinc/12/40/11/1430124011.db2.gz QOXYCVKBSKJAFG-UHFFFAOYSA-N -1 0 332.367 3.114 20 30 EGEDRM Cc1c(N=Cc2cc3ccccc3[nH]c2=O)cccc1-c1nn[n-]n1 ZINC000822035285 1441445027 /nfs/dbraw/zinc/44/50/27/1441445027.db2.gz RUGSJICERVPWOO-UHFFFAOYSA-N -1 0 330.351 3.180 20 30 EGEDRM Cc1cc(-c2nn[n-]n2)cc(C)c1OCCCOc1ccc(C#N)cc1 ZINC000822130861 1441584215 /nfs/dbraw/zinc/58/42/15/1441584215.db2.gz ZJCJTMAZPRYAKN-UHFFFAOYSA-N -1 0 349.394 3.203 20 30 EGEDRM C=CCC[C@@H](C)OC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000823894288 1442476923 /nfs/dbraw/zinc/47/69/23/1442476923.db2.gz MLYKPCHLWDJWQX-LLVKDONJSA-N -1 0 341.371 3.070 20 30 EGEDRM Cn1cc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)c2ccccc21 ZINC000826358383 1443615596 /nfs/dbraw/zinc/61/55/96/1443615596.db2.gz RERFLMHCZIKDRB-VQHVLOKHSA-N -1 0 347.353 3.394 20 30 EGEDRM Cc1ccc2c(c1C)C(=O)C(=Cc1cc(-c3nnn[n-]3)cs1)CO2 ZINC000822280669 1443814398 /nfs/dbraw/zinc/81/43/98/1443814398.db2.gz VQOUBEWFQOJALZ-WZUFQYTHSA-N -1 0 338.392 3.204 20 30 EGEDRM CC(=NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cc(F)ccc1O ZINC000823958773 1443850731 /nfs/dbraw/zinc/85/07/31/1443850731.db2.gz VTIPJVYKFZDCAK-UHFFFAOYSA-N -1 0 346.753 3.201 20 30 EGEDRM CCC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccccc1 ZINC000825029175 1443927218 /nfs/dbraw/zinc/92/72/18/1443927218.db2.gz OHFQMWBMCLYHBB-UHFFFAOYSA-N -1 0 327.779 3.141 20 30 EGEDRM COc1cccc(CC(N=Nc2ccc(-c3nn[n-]n3)cc2)C2CC2)c1 ZINC000826214965 1446120444 /nfs/dbraw/zinc/12/04/44/1446120444.db2.gz BYJSFKXVXJVLGV-UHFFFAOYSA-N -1 0 348.410 3.296 20 30 EGEDRM N#Cc1ccc(Cl)cc1Oc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000822825430 1446569228 /nfs/dbraw/zinc/56/92/28/1446569228.db2.gz FNJGZQPYXGDJHL-UHFFFAOYSA-N -1 0 342.702 3.092 20 30 EGEDRM O=C(C=Cc1cccc(OC(F)F)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000826400752 1447121971 /nfs/dbraw/zinc/12/19/71/1447121971.db2.gz HKRWDZSEVFOBOM-PLNGDYQASA-N -1 0 348.334 3.426 20 30 EGEDRM C=CCSCCNC(=O)N[C@@H](C(=O)[O-])c1cccc2ccccc21 ZINC000797716497 939177755 /nfs/dbraw/zinc/17/77/55/939177755.db2.gz YHVFMZZJEKEBLR-MRXNPFEDSA-N -1 0 344.436 3.184 20 30 EGEDRM C=CC(C)(C)CC(=O)N[C@H](C(=O)[O-])c1ccc(Br)cc1 ZINC000908909830 939349538 /nfs/dbraw/zinc/34/95/38/939349538.db2.gz APYRJMPOHTYSJS-ZDUSSCGKSA-N -1 0 340.217 3.293 20 30 EGEDRM C#CCCCCC(=O)N[C@@H](C(=O)[O-])c1ccccc1OC(F)(F)F ZINC000910934233 939758257 /nfs/dbraw/zinc/75/82/57/939758257.db2.gz BKAOKNFSAFWDLS-CQSZACIVSA-N -1 0 343.301 3.021 20 30 EGEDRM N#Cc1cccc(-c2cc(C(=O)Nc3ccccc3CC(=O)[O-])on2)c1 ZINC001601116199 970935979 /nfs/dbraw/zinc/93/59/79/970935979.db2.gz NYUQSKCWISDQPQ-UHFFFAOYSA-N -1 0 347.330 3.093 20 30 EGEDRM C=CCCc1ccc(S(=O)(=O)Oc2ccc(CC(=O)[O-])cc2)cc1 ZINC001602721890 971383767 /nfs/dbraw/zinc/38/37/67/971383767.db2.gz COANJHUYYHSRQV-UHFFFAOYSA-N -1 0 346.404 3.200 20 30 EGEDRM CCOc1c(Cl)cc(NC(=O)[C@](C)(C#N)CC(=O)[O-])cc1Cl ZINC001592009193 951291326 /nfs/dbraw/zinc/29/13/26/951291326.db2.gz KHUFAXZNOOOFRB-AWEZNQCLSA-N -1 0 345.182 3.335 20 30 EGEDRM CCOc1ccc(C#N)cc1NC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC001592343152 951321175 /nfs/dbraw/zinc/32/11/75/951321175.db2.gz ASPNCQFPHUTGGC-AWEZNQCLSA-N -1 0 345.399 3.208 20 30 EGEDRM CC(C)(C)c1ccc([C@H](C#N)NC(=O)[C@]2(C(=O)[O-])CC=CCC2)cc1 ZINC001602922938 971882542 /nfs/dbraw/zinc/88/25/42/971882542.db2.gz KBZCFZHWQMWYCN-JXFKEZNVSA-N -1 0 340.423 3.476 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NCc1cccc(Oc2ccccc2)c1 ZINC000819843103 955453050 /nfs/dbraw/zinc/45/30/50/955453050.db2.gz YFKAAKSKTJPHFQ-LJQANCHMSA-N -1 0 338.363 3.100 20 30 EGEDRM N#Cc1ccc(N(C(=O)c2coc(/C=C/C(=O)[O-])c2)C2CCC2)cc1 ZINC001594620998 956282263 /nfs/dbraw/zinc/28/22/63/956282263.db2.gz CJIMAYWTIWMLDN-CMDGGOBGSA-N -1 0 336.347 3.448 20 30 EGEDRM N#Cc1ccc(NC(=O)N[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1Cl ZINC001594623125 956295651 /nfs/dbraw/zinc/29/56/51/956295651.db2.gz VEJWMYVWMIWEFG-CQSZACIVSA-N -1 0 347.733 3.298 20 30 EGEDRM C[C@H](c1cccc(C#N)c1)N(C)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001589174778 956484557 /nfs/dbraw/zinc/48/45/57/956484557.db2.gz HOKRPNQYLLLMIH-CYBMUJFWSA-N -1 0 337.379 3.410 20 30 EGEDRM O=C([O-])[C@H]1CCCN1C(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC001574784561 957787346 /nfs/dbraw/zinc/78/73/46/957787346.db2.gz KZYCHDBEAMGYLN-MRXNPFEDSA-N -1 0 340.404 3.229 20 30 EGEDRM COc1cc(C#N)cc(Cl)c1OC(=O)c1cccc(C(=O)[O-])c1 ZINC001594050161 957974917 /nfs/dbraw/zinc/97/49/17/957974917.db2.gz WJXPCPMFVQKDSO-UHFFFAOYSA-N -1 0 331.711 3.138 20 30 EGEDRM C#C[C@@H](NC(=O)C1(C(=O)[O-])CCCCC1)c1ccc(Cl)cc1F ZINC001588388273 957992987 /nfs/dbraw/zinc/99/29/87/957992987.db2.gz QYOORVMLPIEOLE-CQSZACIVSA-N -1 0 337.778 3.305 20 30 EGEDRM C#CCN(C(=O)NCCCCCC(=O)[O-])[C@H]1CCCc2ccccc21 ZINC001588395955 958045479 /nfs/dbraw/zinc/04/54/79/958045479.db2.gz MPIGZOSSJPQVHQ-SFHVURJKSA-N -1 0 342.439 3.354 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)NCC1(c2ccccc2)CCCCCC1 ZINC001588408393 958109477 /nfs/dbraw/zinc/10/94/77/958109477.db2.gz LCCCRVZSEJCRAF-UHFFFAOYSA-N -1 0 342.439 3.008 20 30 EGEDRM Cc1ccc(-c2cncc(F)c2)cc1NC(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC001594336064 958267231 /nfs/dbraw/zinc/26/72/31/958267231.db2.gz XMMLPJPJUSCQMI-GOSISDBHSA-N -1 0 341.342 3.139 20 30 EGEDRM C=C[C@H](CC(=O)N[C@H](C(=O)[O-])c1ccc(F)cc1)c1ccccc1 ZINC001588451171 958405732 /nfs/dbraw/zinc/40/57/32/958405732.db2.gz OFNPUDDXAKTWLA-ACJLOTCBSA-N -1 0 327.355 3.428 20 30 EGEDRM C=CC[C@@H](Cc1ccccc1)NC(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001588453137 958431895 /nfs/dbraw/zinc/43/18/95/958431895.db2.gz PFZUQQVXESHKNR-WQTVUKCASA-N -1 0 325.364 3.295 20 30 EGEDRM C=CCCc1ccc(S(=O)(=O)Oc2ccccc2C(=O)[O-])cc1 ZINC001588460724 958479383 /nfs/dbraw/zinc/47/93/83/958479383.db2.gz VBBLJYRYTNQUTO-UHFFFAOYSA-N -1 0 332.377 3.271 20 30 EGEDRM C=CCOCCCC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](C)C2 ZINC001573337948 958526860 /nfs/dbraw/zinc/52/68/60/958526860.db2.gz ZAGCFJVVLMBSQQ-LLVKDONJSA-N -1 0 337.441 3.492 20 30 EGEDRM C=CCc1ccc(OC(=O)Cc2ccccc2C(=O)[O-])c(OC)c1 ZINC001588470747 958531223 /nfs/dbraw/zinc/53/12/23/958531223.db2.gz UFNHQGPKFVVUCE-UHFFFAOYSA-N -1 0 326.348 3.270 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@H](CCCc2ccccc2)C1 ZINC001573359987 958590220 /nfs/dbraw/zinc/59/02/20/958590220.db2.gz OHXDJJMGMLKPQN-FXAWDEMLSA-N -1 0 342.439 3.252 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NCCc1ccc(C2CCCCC2)cc1 ZINC001573363874 958609113 /nfs/dbraw/zinc/60/91/13/958609113.db2.gz MDTZUUYCJSUOCS-HXUWFJFHSA-N -1 0 342.439 3.398 20 30 EGEDRM C[C@](C#N)(CCc1ccccc1)NC(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001573364916 958617580 /nfs/dbraw/zinc/61/75/80/958617580.db2.gz RJMUELJRQFORDX-QULHZPMSSA-N -1 0 338.363 3.022 20 30 EGEDRM C[C@@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001573624679 959534230 /nfs/dbraw/zinc/53/42/30/959534230.db2.gz JVRVEEQLYDQKHZ-UHOFOFEASA-N -1 0 340.423 3.107 20 30 EGEDRM C=CCC[C@H]1CCCN1C(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC001123391309 960475203 /nfs/dbraw/zinc/47/52/03/960475203.db2.gz SFEYEHHOOVGNGL-ZDUSSCGKSA-N -1 0 326.396 3.366 20 30 EGEDRM CCCN(C(=O)c1ccc(C(=O)[O-])cc1)c1snc(C)c1C#N ZINC001573849388 961126042 /nfs/dbraw/zinc/12/60/42/961126042.db2.gz DWGPGBFPHCQKQA-UHFFFAOYSA-N -1 0 329.381 3.078 20 30 EGEDRM N#Cc1cc(C(=O)Nc2cccc(CCC(=O)[O-])c2)ccc1Cl ZINC001574480134 961658072 /nfs/dbraw/zinc/65/80/72/961658072.db2.gz XFQWADBALVIWFL-UHFFFAOYSA-N -1 0 328.755 3.481 20 30 EGEDRM N#Cc1ccc(CNC(=O)Nc2ccccc2C(=O)[O-])cc1Cl ZINC001574488512 961695616 /nfs/dbraw/zinc/69/56/16/961695616.db2.gz QSPULQWMXCGKDS-UHFFFAOYSA-N -1 0 329.743 3.232 20 30 EGEDRM CC(C)[C@@H]1CCc2c(C#N)c(NC(=O)[C@@H]3CC[C@H]3C(=O)[O-])sc2C1 ZINC001588840497 961789583 /nfs/dbraw/zinc/78/95/83/961789583.db2.gz JJIIZVZGPMCKOV-RAIGVLPGSA-N -1 0 346.452 3.430 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N1CCCCC[C@H]1CC(=O)c1ccccc1 ZINC001573333161 962851513 /nfs/dbraw/zinc/85/15/13/962851513.db2.gz XDOUKHUYVOLLHX-KRWDZBQOSA-N -1 0 343.423 3.452 20 30 EGEDRM C=CCCC(C)(C)CNS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC001573353190 962997615 /nfs/dbraw/zinc/99/76/15/962997615.db2.gz RFNSRQNDAWWADQ-UHFFFAOYSA-N -1 0 345.848 3.309 20 30 EGEDRM C=CCC[C@H](NC(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21)c1ccccc1 ZINC001573357561 963017494 /nfs/dbraw/zinc/01/74/94/963017494.db2.gz OTFRXUIKLNLCIF-WKULXVSPSA-N -1 0 342.439 3.492 20 30 EGEDRM C=CCC[C@H](NC(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21)c1ccccc1 ZINC001573357559 963018119 /nfs/dbraw/zinc/01/81/19/963018119.db2.gz OTFRXUIKLNLCIF-DZVNLGKHSA-N -1 0 342.439 3.492 20 30 EGEDRM C=CCCc1ccccc1NC(=O)NCc1ncc(C(=O)[O-])s1 ZINC001573360444 963038217 /nfs/dbraw/zinc/03/82/17/963038217.db2.gz OYXXPRRVUMDMFZ-UHFFFAOYSA-N -1 0 331.397 3.282 20 30 EGEDRM C#CC[C@H](NC(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1ccccc1 ZINC001263062750 969694704 /nfs/dbraw/zinc/69/47/04/969694704.db2.gz CLOITABEJIACQF-RDJZCZTQSA-N -1 0 328.412 3.037 20 30 EGEDRM C=CCC1(NC(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)CCCC1 ZINC001339958271 969742578 /nfs/dbraw/zinc/74/25/78/969742578.db2.gz JEYMBGNJYYCWOU-JKSUJKDBSA-N -1 0 328.412 3.488 20 30 EGEDRM C[C@H](CC(=O)[O-])NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC001609884961 970571512 /nfs/dbraw/zinc/57/15/12/970571512.db2.gz CBYAQKNUELKDJK-LLVKDONJSA-N -1 0 342.326 3.083 20 30 EGEDRM Cc1ccccc1-c1cnc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])s1 ZINC001605351660 973262279 /nfs/dbraw/zinc/26/22/79/973262279.db2.gz YXBJUWQLOGDTCS-MRXNPFEDSA-N -1 0 329.381 3.062 20 30 EGEDRM N#CCCCn1cc(C(=O)Nc2ccc(C(=O)[O-])cn2)c2ccccc21 ZINC001605581796 973861125 /nfs/dbraw/zinc/86/11/25/973861125.db2.gz MMKFRSDVBZISGN-UHFFFAOYSA-N -1 0 348.362 3.291 20 30 EGEDRM N#Cc1ccc(F)c(NC(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)c1 ZINC001605611227 973916305 /nfs/dbraw/zinc/91/63/05/973916305.db2.gz LYFRNLJTMYZYSF-DZGCQCFKSA-N -1 0 339.326 3.132 20 30 EGEDRM CCCCCCCCCCC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001603641271 973989069 /nfs/dbraw/zinc/98/90/69/973989069.db2.gz YMHXGWVVQKDEMX-YJBOKZPZSA-N -1 0 325.449 3.077 20 30 EGEDRM CN(C(=O)/C=C/c1ccc(C(=O)[O-])o1)c1ccc(C#N)c(Cl)c1 ZINC001604028616 974553531 /nfs/dbraw/zinc/55/35/31/974553531.db2.gz LIJLCEMOAAAUEC-FNORWQNLSA-N -1 0 330.727 3.179 20 30 EGEDRM CN(C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl)[C@@H]1CCC[C@@H]1C#N ZINC001604034817 974556678 /nfs/dbraw/zinc/55/66/78/974556678.db2.gz DHRYHEHHEDEEAG-LDYMZIIASA-N -1 0 339.754 3.333 20 30 EGEDRM CC(C)c1nc(C#N)c(N=NCc2cc(C(=O)[O-])ccc2Cl)o1 ZINC001592008443 976677563 /nfs/dbraw/zinc/67/75/63/976677563.db2.gz LNVQQOHPNOHMAG-UHFFFAOYSA-N -1 0 332.747 3.467 20 30 EGEDRM CC(C)c1sc(NC(=O)/C=C\c2ccccc2C#N)nc1C(=O)[O-] ZINC001592111684 976902171 /nfs/dbraw/zinc/90/21/71/976902171.db2.gz KFHQDDXYNBWQHL-FPLPWBNLSA-N -1 0 341.392 3.488 20 30 EGEDRM CC(C)c1scnc1C(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC001592118027 976923146 /nfs/dbraw/zinc/92/31/46/976923146.db2.gz WOHMMZUWFVULCK-UHFFFAOYSA-N -1 0 330.365 3.193 20 30 EGEDRM C[C@](CC(=O)[O-])(NC(=O)Nc1ccc(C#N)cc1C1CC1)C1CC1 ZINC001592290958 977619373 /nfs/dbraw/zinc/61/93/73/977619373.db2.gz WVXXXKCUMVOJSO-GOSISDBHSA-N -1 0 327.384 3.201 20 30 EGEDRM CC(CC(C)(C)CC(=O)[O-])N=Nc1nnc(-c2ccccn2)s1 ZINC001592445268 978110881 /nfs/dbraw/zinc/11/08/81/978110881.db2.gz YYZUQUNOKFMJOM-UHFFFAOYSA-N -1 0 333.417 3.279 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1N=NCc1c[nH]c(-c2ccccc2)n1 ZINC000756901513 978701560 /nfs/dbraw/zinc/70/15/60/978701560.db2.gz SUXJGELRKJHOQM-UHFFFAOYSA-N -1 0 336.351 3.230 20 30 EGEDRM CCn1c(CN=Nc2ccc(C(=O)[O-])cc2OC)nc2ccccc21 ZINC000756905843 978702200 /nfs/dbraw/zinc/70/22/00/978702200.db2.gz MLPGCMGCTWSHFA-UHFFFAOYSA-N -1 0 338.367 3.209 20 30 EGEDRM COc1cc(F)c(C(C)=NNc2ccccc2C(=O)[O-])cc1OC ZINC000760242426 978705332 /nfs/dbraw/zinc/70/53/32/978705332.db2.gz SSPUQZHGJVLABF-UHFFFAOYSA-N -1 0 332.331 3.377 20 30 EGEDRM O=C([O-])c1ccc(N=NCc2ccc(Br)c(F)c2)nc1 ZINC000763371658 978722802 /nfs/dbraw/zinc/72/28/02/978722802.db2.gz GUKCCMZGSZQQJK-UHFFFAOYSA-N -1 0 338.136 3.127 20 30 EGEDRM COc1cc(NN=Cc2ccc(OCC(=O)[O-])cc2)ccc1Cl ZINC000788472348 978797651 /nfs/dbraw/zinc/79/76/51/978797651.db2.gz SNTJHTKDOCYLMW-UHFFFAOYSA-N -1 0 334.759 3.258 20 30 EGEDRM COc1ccccc1CON=Cc1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000794936651 978830815 /nfs/dbraw/zinc/83/08/15/978830815.db2.gz CHWYSABLKYIAGV-ZDUSSCGKSA-N -1 0 329.352 3.098 20 30 EGEDRM CC(N=Nc1nc2ccccc2c(=O)n1C)[C@H](C)CCCCC(=O)[O-] ZINC000814771363 978883843 /nfs/dbraw/zinc/88/38/43/978883843.db2.gz QMLDWBWWEAQDLT-GFCCVEGCSA-N -1 0 344.415 3.002 20 30 EGEDRM C[C@@H]1C(N=Nc2cncc(Br)c2)CC[C@@H]1CC(=O)[O-] ZINC000814886432 978895807 /nfs/dbraw/zinc/89/58/07/978895807.db2.gz BTASUAHBNXTKIC-DTWKUNHWSA-N -1 0 326.194 3.133 20 30 EGEDRM C[C@H](CC(=O)[O-])C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000827295341 978955111 /nfs/dbraw/zinc/95/51/11/978955111.db2.gz JGPCDRUZPHHMGN-LLVKDONJSA-N -1 0 328.393 3.014 20 30 EGEDRM C=C(C)C[C@H](NC(=O)/C=C(\C)c1ccccc1OC(F)F)C(=O)[O-] ZINC000864188900 979838718 /nfs/dbraw/zinc/83/87/18/979838718.db2.gz XIYRRWDNSAJXOW-STRFDMGBSA-N -1 0 339.338 3.227 20 30 EGEDRM CCOCc1nc(C)cc(N=NC(C)c2ccc(C(=O)[O-])cc2C)n1 ZINC000905497800 981119000 /nfs/dbraw/zinc/11/90/00/981119000.db2.gz APIXMONOIIERCH-UHFFFAOYSA-N -1 0 342.399 3.164 20 30 EGEDRM CCCC[C@H](ON=C(C)C)C(=O)N(C)[C@H](C(=O)[O-])c1ccccc1 ZINC001595651239 982019564 /nfs/dbraw/zinc/01/95/64/982019564.db2.gz DKMQGDNLWFOMPC-HOTGVXAUSA-N -1 0 334.416 3.242 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1cnn(C2CCCC2)c1CC)C(=O)[O-] ZINC000910916248 982163597 /nfs/dbraw/zinc/16/35/97/982163597.db2.gz GEAFWVCAFYHORI-HNNXBMFYSA-N -1 0 333.432 3.100 20 30 EGEDRM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000911746290 982628013 /nfs/dbraw/zinc/62/80/13/982628013.db2.gz HGKYVSZUXRHPGT-IAGOWNOFSA-N -1 0 347.459 3.260 20 30 EGEDRM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000911746289 982628019 /nfs/dbraw/zinc/62/80/19/982628019.db2.gz HGKYVSZUXRHPGT-DLBZAZTESA-N -1 0 347.459 3.260 20 30 EGEDRM O=C([O-])COc1ccc(CN=Nc2nccc3sccc32)cc1 ZINC000915978024 982670564 /nfs/dbraw/zinc/67/05/64/982670564.db2.gz AOUBJRGVTRISKN-UHFFFAOYSA-N -1 0 327.365 3.206 20 30 EGEDRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)[C@@]2(C#N)CC3CCC2CC3)C1 ZINC000923068208 982705413 /nfs/dbraw/zinc/70/54/13/982705413.db2.gz CYULGMNOYUHHTA-CALVRSAPSA-N -1 0 332.444 3.056 20 30 EGEDRM N#C[C@@]1(C(=O)NCC2(CC(=O)[O-])CCCCC2)CC2CCC1CC2 ZINC000923071008 982706092 /nfs/dbraw/zinc/70/60/92/982706092.db2.gz ZQUZFFGQHVZIFK-ZOJXTTQQSA-N -1 0 332.444 3.248 20 30 EGEDRM CCCN(C(=O)c1ccc(C#Cc2ccccc2)cc1)[C@H](C)C(=O)[O-] ZINC001595826231 982708992 /nfs/dbraw/zinc/70/89/92/982708992.db2.gz DFNVGBOUIVCEIS-MRXNPFEDSA-N -1 0 335.403 3.412 20 30 EGEDRM C#CC(C)(C)NC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC001588367488 983299345 /nfs/dbraw/zinc/29/93/45/983299345.db2.gz VWJJUAWVANMBGS-UHFFFAOYSA-N -1 0 346.386 3.318 20 30 EGEDRM C#C[C@H](CCC)NC(=O)N1CCC(Cc2ccccc2C(=O)[O-])CC1 ZINC001588369434 983314239 /nfs/dbraw/zinc/31/42/39/983314239.db2.gz LUVWHNIFQUPCGJ-QGZVFWFLSA-N -1 0 342.439 3.151 20 30 EGEDRM C#C[C@H](NC(=O)Nc1cccc(CSCC(=O)[O-])c1)C(C)(C)C ZINC001588373867 983340515 /nfs/dbraw/zinc/34/05/15/983340515.db2.gz KTIMWZJYQLNORQ-AWEZNQCLSA-N -1 0 334.441 3.174 20 30 EGEDRM C#C[C@@H](NC(=O)Nc1ccc(C(=O)[O-])cc1OCC)c1ccccc1 ZINC001588374319 983343284 /nfs/dbraw/zinc/34/32/84/983343284.db2.gz UHQFHVKMSCSBHS-OAHLLOKOSA-N -1 0 338.363 3.280 20 30 EGEDRM C#C[C@@H](Nc1nccc(C(=O)[O-])c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC001588376357 983351560 /nfs/dbraw/zinc/35/15/60/983351560.db2.gz SMGMDUXLFLQETQ-GFCCVEGCSA-N -1 0 331.715 3.128 20 30 EGEDRM C#CC[C@H](NC(=O)c1cc(-c2ccc(F)cc2)c(C)s1)C(=O)[O-] ZINC001588414662 983434835 /nfs/dbraw/zinc/43/48/35/983434835.db2.gz XPJASMGVGWOJNM-AWEZNQCLSA-N -1 0 331.368 3.069 20 30 EGEDRM C#CCCOC(=O)N[C@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001588456134 983481779 /nfs/dbraw/zinc/48/17/79/983481779.db2.gz ZTMBLTMRRMZBEF-AWEZNQCLSA-N -1 0 330.167 3.043 20 30 EGEDRM C#Cc1ccc(C(=O)NC[C@H]2CCCc3ccc(C(=O)[O-])cc32)cc1 ZINC001588510866 983557687 /nfs/dbraw/zinc/55/76/87/983557687.db2.gz MSNHANGEYUWNQM-GOSISDBHSA-N -1 0 333.387 3.216 20 30 EGEDRM C=C(C)C[C@H](NC(=O)[C@@H](c1ccncc1)C1CCCCC1)C(=O)[O-] ZINC001588537616 983600705 /nfs/dbraw/zinc/60/07/05/983600705.db2.gz UCDIYXQFKJXLOB-DLBZAZTESA-N -1 0 330.428 3.281 20 30 EGEDRM C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1cncc(C(=O)[O-])c1 ZINC001588567637 983647414 /nfs/dbraw/zinc/64/74/14/983647414.db2.gz PFLLVYBSNUPDMU-UHFFFAOYSA-N -1 0 328.416 3.136 20 30 EGEDRM C=C(C)CONC(=O)Nc1ccc(Br)c(C(=O)[O-])c1C ZINC001588573217 983651623 /nfs/dbraw/zinc/65/16/23/983651623.db2.gz CKMFETRHRVCTTN-UHFFFAOYSA-N -1 0 343.177 3.085 20 30 EGEDRM C=C(C)Cn1c([C@@H]2C[C@@H]2C)nnc1N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001588592240 983676357 /nfs/dbraw/zinc/67/63/57/983676357.db2.gz UKVCSJPTXSLSQZ-SOUVJXGZSA-N -1 0 332.448 3.059 20 30 EGEDRM C=C(C)c1cccc(NC(=O)Cc2[nH]c(C(C)=O)c(C)c2C(=O)[O-])c1 ZINC001588606308 983697224 /nfs/dbraw/zinc/69/72/24/983697224.db2.gz WGGMQYWSBIMBBH-UHFFFAOYSA-N -1 0 340.379 3.438 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N[C@H](C)c1nc2ccccc2n1C(C)C ZINC001588622376 983723349 /nfs/dbraw/zinc/72/33/49/983723349.db2.gz WSYSTMORUOILDL-CYBMUJFWSA-N -1 0 329.400 3.215 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1cnn(-c2ccccc2C)c1CC ZINC001588633156 983748138 /nfs/dbraw/zinc/74/81/38/983748138.db2.gz JLEVEOGTCRTRMN-UHFFFAOYSA-N -1 0 327.384 3.103 20 30 EGEDRM C=C1CCC(C(=O)N[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)CC1 ZINC001588644183 983768717 /nfs/dbraw/zinc/76/87/17/983768717.db2.gz GGMKMXDTRQUANT-AWEZNQCLSA-N -1 0 325.767 3.467 20 30 EGEDRM C=C[C@H](C(=O)Nc1cc(C(=O)[O-])cc(OC)c1O)c1ccccc1 ZINC001588664823 983804350 /nfs/dbraw/zinc/80/43/50/983804350.db2.gz WRBNHYJKZMXEJF-ZDUSSCGKSA-N -1 0 327.336 3.007 20 30 EGEDRM C=C[C@@H](C(=O)[O-])N(CCC)CC(=O)Nc1cc(Cl)ccc1Cl ZINC001588664937 983806522 /nfs/dbraw/zinc/80/65/22/983806522.db2.gz ZYVGQEBXTRDPSV-ZDUSSCGKSA-N -1 0 345.226 3.283 20 30 EGEDRM C=C[C@@H](Sc1nnc(-c2ccccc2)n1Cc1ccco1)C(=O)[O-] ZINC001588714513 983951843 /nfs/dbraw/zinc/95/18/43/983951843.db2.gz IJYSGVZLBNCYJB-CQSZACIVSA-N -1 0 341.392 3.318 20 30 EGEDRM C=CCC(C)(C)Cn1c(C2CCC2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001588736391 984024591 /nfs/dbraw/zinc/02/45/91/984024591.db2.gz IVMIDBMGESKSIK-AWEZNQCLSA-N -1 0 332.448 3.059 20 30 EGEDRM C=CCC(F)(F)C(=O)N[C@](C)(Cc1ccc(Cl)cc1)C(=O)[O-] ZINC001588742555 984033550 /nfs/dbraw/zinc/03/35/50/984033550.db2.gz GIAPWAGPQYAIDZ-CQSZACIVSA-N -1 0 331.746 3.053 20 30 EGEDRM C=CCC1(NS(=O)(=O)c2csc(C(=O)[O-])c2)CCCCC1 ZINC001588769433 984133475 /nfs/dbraw/zinc/13/34/75/984133475.db2.gz UEVISSKKSHCZTI-UHFFFAOYSA-N -1 0 329.443 3.004 20 30 EGEDRM C=CCCC[C@H](C)NC(=O)N1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC001588783062 984176722 /nfs/dbraw/zinc/17/67/22/984176722.db2.gz WAOVOEQCUKWZIA-LBPRGKRZSA-N -1 0 334.391 3.336 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1cc2ccccc2cc1OC)C(=O)[O-] ZINC001588792720 984212371 /nfs/dbraw/zinc/21/23/71/984212371.db2.gz MMHAJJUMBSGLCP-MRXNPFEDSA-N -1 0 327.380 3.388 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1cccc(C(=O)c2ccco2)c1)C(=O)[O-] ZINC001588793265 984217759 /nfs/dbraw/zinc/21/77/59/984217759.db2.gz NPWFPZNZLDPEHE-OAHLLOKOSA-N -1 0 341.363 3.050 20 30 EGEDRM C=CCCC[C@@H](NS(=O)(=O)/C=C/c1ccc(Cl)cc1)C(=O)[O-] ZINC001588797488 984229869 /nfs/dbraw/zinc/22/98/69/984229869.db2.gz GFGHLNCHRCEXPQ-PLSXKVAHSA-N -1 0 343.832 3.040 20 30 EGEDRM C=CCCC[C@H](NS(=O)(=O)CC(C)(C)C(=O)[O-])c1ccccc1 ZINC001588797514 984229946 /nfs/dbraw/zinc/22/99/46/984229946.db2.gz HKXZRDAESYEMLO-HNNXBMFYSA-N -1 0 339.457 3.114 20 30 EGEDRM C=CCCCCCN(C)S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC001588800031 984243671 /nfs/dbraw/zinc/24/36/71/984243671.db2.gz XGBGCPJBDCVRQI-UHFFFAOYSA-N -1 0 339.457 3.369 20 30 EGEDRM C=CCCn1cc(C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)nn1 ZINC001588817223 984275370 /nfs/dbraw/zinc/27/53/70/984275370.db2.gz FRROIRHSQPVIHM-UHFFFAOYSA-N -1 0 342.380 3.019 20 30 EGEDRM C=CCN1C(=O)N[C@H](c2cscc2C(F)(F)F)C(C(=O)[O-])=C1C ZINC001588836549 984328215 /nfs/dbraw/zinc/32/82/15/984328215.db2.gz AYLFHVHHNPMRRG-LLVKDONJSA-N -1 0 346.330 3.378 20 30 EGEDRM C=CCOCCCC(=O)Nc1cc(-c2ccncc2)sc1C(=O)[O-] ZINC001588866939 984428826 /nfs/dbraw/zinc/42/88/26/984428826.db2.gz UGLYRYAGCVVAEN-UHFFFAOYSA-N -1 0 346.408 3.430 20 30 EGEDRM C=CCn1c(-c2ccco2)nnc1N(C)Cc1ccc(C(=O)[O-])cc1 ZINC001588890262 984485358 /nfs/dbraw/zinc/48/53/58/984485358.db2.gz VQHWBMQMFFQOQO-UHFFFAOYSA-N -1 0 338.367 3.059 20 30 EGEDRM C=CCn1c(C)cc(C(=O)CN(C)Cc2ccc(C(=O)[O-])cc2)c1C ZINC001588896793 984504944 /nfs/dbraw/zinc/50/49/44/984504944.db2.gz UHEXJSMOFISLGZ-UHFFFAOYSA-N -1 0 340.423 3.304 20 30 EGEDRM C=CCn1c(SC/C(C)=C\C(=O)[O-])nnc1-c1ccc(OC)cc1 ZINC001588907290 984538926 /nfs/dbraw/zinc/53/89/26/984538926.db2.gz HNQFBUPUZKCGMH-BENRWUELSA-N -1 0 345.424 3.263 20 30 EGEDRM CC(=NNc1cc(C(=O)[O-])ccc1Br)c1cccnc1 ZINC001589016619 984996342 /nfs/dbraw/zinc/99/63/42/984996342.db2.gz DAQFQTJAQNVDOG-UHFFFAOYSA-N -1 0 334.173 3.378 20 30 EGEDRM CC(N=Nc1cc(C(=O)[O-])ccc1Br)C1CCOCC1 ZINC001589016765 984997314 /nfs/dbraw/zinc/99/73/14/984997314.db2.gz GSNAECIYIXZQDI-UHFFFAOYSA-N -1 0 341.205 3.362 20 30 EGEDRM CC(=O)[C@](C#N)(CCN1Cc2ccc(C(=O)[O-])cc2C1)c1ccccc1 ZINC001589021203 985010982 /nfs/dbraw/zinc/01/09/82/985010982.db2.gz NDNNTGVRRHFRQQ-OAQYLSRUSA-N -1 0 348.402 3.141 20 30 EGEDRM Cc1[nH]c(C(=O)[C@H](C)SCc2nc(C#N)cs2)c(C)c1C(=O)[O-] ZINC001599948350 985566841 /nfs/dbraw/zinc/56/68/41/985566841.db2.gz NFXUFMNGZONGPR-VIFPVBQESA-N -1 0 349.437 3.163 20 30 EGEDRM Cc1c(C#N)cccc1C(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC001599973224 986043832 /nfs/dbraw/zinc/04/38/32/986043832.db2.gz MCUHBXKIOXUWJJ-MRXNPFEDSA-N -1 0 342.782 3.466 20 30 EGEDRM C[C@H](C#N)Oc1ccccc1NC(=O)Nc1cc(C(=O)[O-])ccc1F ZINC001589334513 986202488 /nfs/dbraw/zinc/20/24/88/986202488.db2.gz FZSRFJWUROCGML-SNVBAGLBSA-N -1 0 343.314 3.459 20 30 EGEDRM C[C@@H]1CO[C@H](C(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)C1 ZINC001594587763 986487124 /nfs/dbraw/zinc/48/71/24/986487124.db2.gz RJMVHCYKFKFDRM-LIRRHRJNSA-N -1 0 349.386 3.148 20 30 EGEDRM CCOc1ccc([N+](=O)[O-])cc1C=NNc1cccc(F)c1C(=O)[O-] ZINC001597142688 986889966 /nfs/dbraw/zinc/88/99/66/986889966.db2.gz GNYNKFMWVQLONV-UHFFFAOYSA-N -1 0 347.302 3.277 20 30 EGEDRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)c1 ZINC001589522999 987184710 /nfs/dbraw/zinc/18/47/10/987184710.db2.gz RNTVNPYLNWCVOB-DYVFJYSZSA-N -1 0 347.374 3.067 20 30 EGEDRM CC(C)(C#N)CC(=O)N[C@@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001589553691 987292241 /nfs/dbraw/zinc/29/22/41/987292241.db2.gz GSXOEEJOOPZZFC-LBPRGKRZSA-N -1 0 342.317 3.277 20 30 EGEDRM CC(C)(C(=O)[O-])[C@H](NC(=O)N1CCC[C@@H](CC#N)C1)c1ccccc1 ZINC001589593939 987409050 /nfs/dbraw/zinc/40/90/50/987409050.db2.gz JOUJFMPKHHQVIG-GOEBONIOSA-N -1 0 343.427 3.174 20 30 EGEDRM CCc1ccc([C@H](C#N)N(C)C(=O)/C=C/c2cc(C(=O)[O-])co2)cc1 ZINC001597508297 988085787 /nfs/dbraw/zinc/08/57/87/988085787.db2.gz LYXUOYGFMMKTNA-IJDCCNJMSA-N -1 0 338.363 3.277 20 30 EGEDRM CSc1c(F)cccc1C(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC001599805980 988257301 /nfs/dbraw/zinc/25/73/01/988257301.db2.gz GHPGOWDSAPWPHT-UHFFFAOYSA-N -1 0 345.351 3.474 20 30 EGEDRM C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1ccc(Cl)c(C#N)c1 ZINC001599832507 988694736 /nfs/dbraw/zinc/69/47/36/988694736.db2.gz VGYRSOVRXHZSCR-LBPRGKRZSA-N -1 0 342.782 3.327 20 30 EGEDRM C[C@@H]1CN(c2cc(C(F)(F)F)c(F)cc2C#N)C[C@H]1CC(=O)[O-] ZINC001599868300 989307091 /nfs/dbraw/zinc/30/70/91/989307091.db2.gz ZFKJFQIWJMKFSD-PSASIEDQSA-N -1 0 330.281 3.263 20 30 EGEDRM CN(C(=O)/C=C\c1ccc(C(=O)[O-])o1)c1cc(Cl)ccc1C#N ZINC001598006133 990157736 /nfs/dbraw/zinc/15/77/36/990157736.db2.gz IYCRYYFLAWHPJV-ALCCZGGFSA-N -1 0 330.727 3.179 20 30 EGEDRM CC(C)(CC#N)CS(=O)(=O)Oc1cccc2cc(C(=O)[O-])ccc21 ZINC001590616862 990294587 /nfs/dbraw/zinc/29/45/87/990294587.db2.gz QSWGDNAJVARPJU-UHFFFAOYSA-N -1 0 347.392 3.186 20 30 EGEDRM CN(C(=O)c1cc(C#N)ccc1Cl)[C@H](C(=O)[O-])c1ccccc1 ZINC001598073460 990377339 /nfs/dbraw/zinc/37/73/39/990377339.db2.gz ODBXKYKZZSBTBN-HNNXBMFYSA-N -1 0 328.755 3.110 20 30 EGEDRM CC(C)C[C@@H](CNc1nccc(Oc2cccc(C#N)c2)n1)C(=O)[O-] ZINC001591163033 991928766 /nfs/dbraw/zinc/92/87/66/991928766.db2.gz TYDDCISLRPKPAR-AWEZNQCLSA-N -1 0 340.383 3.299 20 30 EGEDRM C[C@H](NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F)c1ccc(C#N)cc1 ZINC001593109236 993771959 /nfs/dbraw/zinc/77/19/59/993771959.db2.gz KSFKLFCVTHGSKT-VIFPVBQESA-N -1 0 345.305 3.417 20 30 EGEDRM COc1cccc(C(=O)/C(=C/c2cc(C(=O)[O-])co2)c2ncc[nH]2)c1 ZINC001599641440 994364961 /nfs/dbraw/zinc/36/49/61/994364961.db2.gz VSLWGAQMFNUFSN-DHDCSXOGSA-N -1 0 338.319 3.133 20 30 EGEDRM C[C@H](NCc1cccc(C(=O)[O-])c1C#N)c1ccc2c(c1)CCCO2 ZINC001593304754 994754231 /nfs/dbraw/zinc/75/42/31/994754231.db2.gz RLAXTMNHJYMBTG-ZDUSSCGKSA-N -1 0 336.391 3.432 20 30 EGEDRM C[C@@H](Nc1cc(C#N)sc1[N+](=O)[O-])[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593359732 995019820 /nfs/dbraw/zinc/01/98/20/995019820.db2.gz LDEJMUOCPVKTTE-ZWNOBZJWSA-N -1 0 345.380 3.272 20 30 EGEDRM C[C@H](Nc1cc(C#N)sc1[N+](=O)[O-])[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593359709 995020214 /nfs/dbraw/zinc/02/02/14/995020214.db2.gz LDEJMUOCPVKTTE-GWCFXTLKSA-N -1 0 345.380 3.272 20 30 EGEDRM C[C@@H](Nc1ncc(C#N)cc1Cl)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593373350 995065046 /nfs/dbraw/zinc/06/50/46/995065046.db2.gz BNPPAKGWCQDXDY-BXUZGUMPSA-N -1 0 329.787 3.351 20 30 EGEDRM C[C@@H](Oc1ccccc1C#N)C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001593641421 995951675 /nfs/dbraw/zinc/95/16/75/995951675.db2.gz JQUCHUUJPNFUFO-LLVKDONJSA-N -1 0 349.346 3.144 20 30 EGEDRM C[C@@H](Oc1ccccc1/C=C1/CCc2scnc2C1=O)C(=O)[O-] ZINC001593645379 995973686 /nfs/dbraw/zinc/97/36/86/995973686.db2.gz RSTPAUWSTWXZNG-BKLZJWBFSA-N -1 0 329.377 3.208 20 30 EGEDRM C[C@H](c1ccc(C(=O)[O-])o1)n1cc(CC2(C#N)CCCCC2)nn1 ZINC001593689246 996132016 /nfs/dbraw/zinc/13/20/16/996132016.db2.gz DGXLJUADGFOQIZ-GFCCVEGCSA-N -1 0 328.372 3.195 20 30 EGEDRM C[C@@]1(C#N)CCCN(C(=O)Nc2cc(C(=O)[O-])cc3cccnc32)C1 ZINC001593739601 996353744 /nfs/dbraw/zinc/35/37/44/996353744.db2.gz ITWWGSBRECQBNN-SFHVURJKSA-N -1 0 338.367 3.091 20 30 EGEDRM C[C@]1(C(=O)[O-])CCCN(C(=O)N[C@@H](CCCC#N)c2ccccc2)C1 ZINC001593767376 996449646 /nfs/dbraw/zinc/44/96/46/996449646.db2.gz BANLRHWETJHJTF-LPHOPBHVSA-N -1 0 343.427 3.318 20 30 EGEDRM COc1cc(C(=O)OCc2cccc(C(=O)[O-])c2C#N)ccc1Cl ZINC001599388380 996985734 /nfs/dbraw/zinc/98/57/34/996985734.db2.gz SXGPJSJIJRLPJY-UHFFFAOYSA-N -1 0 345.738 3.275 20 30 EGEDRM CON=Cc1ccc(C(=O)Nc2cc(C(=O)[O-])cc3cccnc32)cc1 ZINC001599320599 997574958 /nfs/dbraw/zinc/57/49/58/997574958.db2.gz KZKHHONTYKEFBK-UHFFFAOYSA-N -1 0 349.346 3.166 20 30 EGEDRM COc1ccc(/C=C\C(=O)[O-])cc1Oc1cc(C#N)nc(C2CC2)n1 ZINC001599547583 997949973 /nfs/dbraw/zinc/94/99/73/997949973.db2.gz VYLKNNQIWYEPAI-CLTKARDFSA-N -1 0 337.335 3.124 20 30 EGEDRM COc1cc(C#N)ccc1C(=O)Oc1cccc(C(C)(C)C(=O)[O-])c1 ZINC001599349016 998061335 /nfs/dbraw/zinc/06/13/35/998061335.db2.gz FZXASDXATVHQKL-UHFFFAOYSA-N -1 0 339.347 3.148 20 30 EGEDRM COCCOc1ccc(C(C)N=Nc2cccc(C(=O)[O-])c2F)cc1 ZINC001599258197 998339884 /nfs/dbraw/zinc/33/98/84/998339884.db2.gz OQFKXACUDSYKEM-UHFFFAOYSA-N -1 0 346.358 3.385 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1CCNc1c(F)cc(C#N)cc1F ZINC001599367535 998359837 /nfs/dbraw/zinc/35/98/37/998359837.db2.gz ICAOABIGYBDYCB-UHFFFAOYSA-N -1 0 332.306 3.198 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1NC(=O)C[C@H](CC#N)c1ccccc1 ZINC001599369244 998384516 /nfs/dbraw/zinc/38/45/16/998384516.db2.gz AHCAUVHPRXOKQP-AWEZNQCLSA-N -1 0 338.363 3.419 20 30 EGEDRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC001594158589 998587410 /nfs/dbraw/zinc/58/74/10/998587410.db2.gz JQOSWBAPIVWRFY-BEFAXECRSA-N -1 0 333.387 3.022 20 30 EGEDRM COC(=O)c1cccc([C@@H](Nc2ccc(CCC#N)cc2)C(=O)[O-])c1 ZINC001598993384 998757055 /nfs/dbraw/zinc/75/70/55/998757055.db2.gz ALFGDUKNXLMFMS-QGZVFWFLSA-N -1 0 338.363 3.167 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2c(Cl)cccc2Cl)C(=O)O1 ZINC000003543735 210050217 /nfs/dbraw/zinc/05/02/17/210050217.db2.gz LLFYPUWVVHUJBB-GJBLVYBDSA-N -1 0 325.147 3.222 20 30 EGEDRM N#Cc1nc(NC(=O)c2cc3c(ccc4ccccc34)[nH]2)[n-]c1C#N ZINC000128225354 283250941 /nfs/dbraw/zinc/25/09/41/283250941.db2.gz YBFCSWADWMJECN-UHFFFAOYSA-N -1 0 326.319 3.040 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2cc(C)c(N(C)C)cc2C#N)sc1C ZINC000357478949 241864100 /nfs/dbraw/zinc/86/41/00/241864100.db2.gz NOTNQWIMBXWQSG-UHFFFAOYSA-N -1 0 349.481 3.412 20 30 EGEDRM CC(=O)c1cccc(NC(=O)[C@@H]2Cc3ccccc3N2C(C)=O)c1O ZINC000328596638 258042335 /nfs/dbraw/zinc/04/23/35/258042335.db2.gz KISBIVQJRJUZHE-KRWDZBQOSA-N -1 0 338.363 3.161 20 30 EGEDRM CCc1ccc(CC(=O)[N-]S(=O)(=O)c2cncc(Cl)c2)cc1 ZINC000097141048 258068466 /nfs/dbraw/zinc/06/84/66/258068466.db2.gz CQFUCYWRJQTRKS-UHFFFAOYSA-N -1 0 338.816 3.185 20 30 EGEDRM N#Cc1nc(NC(=O)c2cncc(-c3ccc(Cl)cc3)c2)[n-]c1C#N ZINC000136036803 143971827 /nfs/dbraw/zinc/97/18/27/143971827.db2.gz DGOQXBHEGNZKPO-UHFFFAOYSA-N -1 0 348.753 3.121 20 30 EGEDRM CC(C)OCc1ccc(NS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000194034752 153318059 /nfs/dbraw/zinc/31/80/59/153318059.db2.gz UTHBRQAYSMGSLU-UHFFFAOYSA-N -1 0 330.409 3.284 20 30 EGEDRM N#Cc1cc(NC2CCC(C(=O)[O-])CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000263563542 154000444 /nfs/dbraw/zinc/00/04/44/154000444.db2.gz UGNRMKANEKBTHB-UHFFFAOYSA-N -1 0 340.339 3.070 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2OCC(F)F)cc1 ZINC000130984001 162385681 /nfs/dbraw/zinc/38/56/81/162385681.db2.gz AXWGSZVRJQMGGZ-UHFFFAOYSA-N -1 0 338.335 3.003 20 30 EGEDRM Cc1nc(-c2cccc(C(=O)N=c3[nH][n-]c(C4CC4)c3C#N)c2)cs1 ZINC000359723113 167213927 /nfs/dbraw/zinc/21/39/27/167213927.db2.gz HCQHMBIGSKXJDH-UHFFFAOYSA-N -1 0 349.419 3.265 20 30 EGEDRM N#Cc1cccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)on2)c1 ZINC000085235196 264937028 /nfs/dbraw/zinc/93/70/28/264937028.db2.gz UXEWSRXIMLAYBW-UHFFFAOYSA-N -1 0 325.349 3.014 20 30 EGEDRM CC(=Cc1ccccc1Br)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000435335413 270051354 /nfs/dbraw/zinc/05/13/54/270051354.db2.gz HXPIDTJKFIKVNE-VQHVLOKHSA-N -1 0 330.185 3.273 20 30 EGEDRM CCCCn1ncc([N-]S(=O)(=O)c2ccccc2C#N)c1C(C)C ZINC000480209329 270055846 /nfs/dbraw/zinc/05/58/46/270055846.db2.gz NEPPPPYPELZWJT-UHFFFAOYSA-N -1 0 346.456 3.479 20 30 EGEDRM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2c(C#N)cnn2CC)cc1 ZINC000187767400 266392783 /nfs/dbraw/zinc/39/27/83/266392783.db2.gz HMOVBLDIOVGCLR-LBPRGKRZSA-N -1 0 332.429 3.089 20 30 EGEDRM Cc1cccc(S(=O)(=O)[N-]c2ccc(OCC3CC3)cc2)c1C#N ZINC000440812110 268056657 /nfs/dbraw/zinc/05/66/57/268056657.db2.gz UOTBSMKPVDIWCD-UHFFFAOYSA-N -1 0 342.420 3.456 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)cc1[O-] ZINC000442920676 268205477 /nfs/dbraw/zinc/20/54/77/268205477.db2.gz HZUYWTKXAVKHSE-UHFFFAOYSA-N -1 0 347.252 3.286 20 30 EGEDRM N#Cc1ccc(CN=c2[n-]nc(-c3cccc(OC(F)F)c3)o2)s1 ZINC000461209332 268224759 /nfs/dbraw/zinc/22/47/59/268224759.db2.gz MWJLKHGLGRLJNO-UHFFFAOYSA-N -1 0 348.334 3.305 20 30 EGEDRM C[C@@H]1C[C@H](C(=O)[O-])CN(c2c(C#N)cnc3c(F)ccc(Cl)c32)C1 ZINC000263292560 297343850 /nfs/dbraw/zinc/34/38/50/297343850.db2.gz ZAORSEDVOQNXCB-ZJUUUORDSA-N -1 0 347.777 3.446 20 30 EGEDRM CCn1c2ccc(C#N)cc2nc1-c1cc(OC)c([O-])c([N+](=O)[O-])c1 ZINC000155105101 307807552 /nfs/dbraw/zinc/80/75/52/307807552.db2.gz MYMHPMNIVVXTAY-UHFFFAOYSA-N -1 0 338.323 3.217 20 30 EGEDRM COc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C#N)c(C)c1C ZINC000539475718 314315637 /nfs/dbraw/zinc/31/56/37/314315637.db2.gz ITVRWYSEXLWCEC-UHFFFAOYSA-N -1 0 330.409 3.293 20 30 EGEDRM C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(C(=O)[O-])s1 ZINC000238030380 455246981 /nfs/dbraw/zinc/24/69/81/455246981.db2.gz ZXOOWSLWYOJWFK-UHFFFAOYSA-N -1 0 346.364 3.183 20 30 EGEDRM O=C([O-])c1ccc(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc1 ZINC000238032590 455247350 /nfs/dbraw/zinc/24/73/50/455247350.db2.gz DVHNOTKAKJUULA-UHFFFAOYSA-N -1 0 347.292 3.185 20 30 EGEDRM N#Cc1cnc(N2CCC[C@@H]2c2nc(C(=O)[O-])cs2)c(Cl)c1 ZINC000600675930 460565306 /nfs/dbraw/zinc/56/53/06/460565306.db2.gz PPNRSUMUYYBVKC-LLVKDONJSA-N -1 0 334.788 3.103 20 30 EGEDRM N#Cc1nc(N2CCC(c3ncc(C(=O)[O-])s3)CC2)ccc1Cl ZINC000600678146 460566061 /nfs/dbraw/zinc/56/60/61/460566061.db2.gz NJYGXPVBAJZPKG-UHFFFAOYSA-N -1 0 348.815 3.145 20 30 EGEDRM CCc1nn(C)cc1C([O-])=C(C#N)c1nc2ccccc2n1C(F)F ZINC000181257383 455308199 /nfs/dbraw/zinc/30/81/99/455308199.db2.gz RJBGHNSRSJPQME-SNVBAGLBSA-N -1 0 343.337 3.217 20 30 EGEDRM CCc1cnc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)s1 ZINC000174019450 455352295 /nfs/dbraw/zinc/35/22/95/455352295.db2.gz AXXVIRVRNIWOCV-UHFFFAOYSA-N -1 0 327.818 3.031 20 30 EGEDRM CSc1ncc(Cl)c(C([O-])=C(C#N)c2nc3ccccc3[nH]2)n1 ZINC000013107511 453444407 /nfs/dbraw/zinc/44/44/07/453444407.db2.gz QVVSFZFOTROFBW-QMMMGPOBSA-N -1 0 343.799 3.218 20 30 EGEDRM COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)c1ccccc1C#N ZINC000022307524 453690592 /nfs/dbraw/zinc/69/05/92/453690592.db2.gz UEXUNZNQDDYBKJ-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM CNc1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)cc1[N+](=O)[O-] ZINC000041547209 453971245 /nfs/dbraw/zinc/97/12/45/453971245.db2.gz ZAOJMBQSKALPSS-NSHDSACASA-N -1 0 336.307 3.268 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cccc(Cl)c2)n1 ZINC000067895658 453978119 /nfs/dbraw/zinc/97/81/19/453978119.db2.gz RGIWICHELZTXND-LLVKDONJSA-N -1 0 334.784 3.463 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2OCC2CC2)cc1 ZINC000076937947 454050568 /nfs/dbraw/zinc/05/05/68/454050568.db2.gz VQUGRGPWHIDTRA-UHFFFAOYSA-N -1 0 346.383 3.287 20 30 EGEDRM C=CCOc1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)c1 ZINC000057124084 454103161 /nfs/dbraw/zinc/10/31/61/454103161.db2.gz PUCAWLIMGMVZHG-UHFFFAOYSA-N -1 0 343.326 3.470 20 30 EGEDRM N#CC(=C([O-])c1cnc([C@@H]2CCCO2)s1)c1nc2ccccc2[nH]1 ZINC000089964412 454248176 /nfs/dbraw/zinc/24/81/76/454248176.db2.gz XIUBHVLJPHBBGN-MFKMUULPSA-N -1 0 338.392 3.361 20 30 EGEDRM C=CCN(Cc1cccs1)C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000072857336 454352817 /nfs/dbraw/zinc/35/28/17/454352817.db2.gz DJHORWZLBHNKKD-UHFFFAOYSA-N -1 0 339.420 3.468 20 30 EGEDRM CCc1cc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)n[nH]1 ZINC000121875592 454488417 /nfs/dbraw/zinc/48/84/17/454488417.db2.gz FEQSUTKQAWNQCP-CQSZACIVSA-N -1 0 347.403 3.457 20 30 EGEDRM CCC(CC)S(=O)(=O)[N-]C(=O)C=Cc1cnn(-c2ccccc2)c1 ZINC000073838467 454489438 /nfs/dbraw/zinc/48/94/38/454489438.db2.gz LRODMSHPKMRIHP-ZHACJKMWSA-N -1 0 347.440 3.360 20 30 EGEDRM N#CC(=C([O-])c1ccc(Br)o1)c1nc2ccccc2[nH]1 ZINC000122630508 454554745 /nfs/dbraw/zinc/55/47/45/454554745.db2.gz XVUIKDYGXXNEAS-MRVPVSSYSA-N -1 0 330.141 3.408 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccn2)cc1Cl ZINC000135788148 454703260 /nfs/dbraw/zinc/70/32/60/454703260.db2.gz YRBOFVNWBAQERT-UHFFFAOYSA-N -1 0 328.180 3.061 20 30 EGEDRM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccccc2F)cc1C#N ZINC000152642348 454705526 /nfs/dbraw/zinc/70/55/26/454705526.db2.gz NXNIOBNPYYSIID-UHFFFAOYSA-N -1 0 334.372 3.285 20 30 EGEDRM CCCn1nc(C)c(/C=C/C(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1C ZINC000136519624 454745823 /nfs/dbraw/zinc/74/58/23/454745823.db2.gz YUUWCJVYSBYZCQ-SOFGYWHQSA-N -1 0 329.356 3.420 20 30 EGEDRM CCC(CC)c1nnc([N-]S(=O)(=O)c2cccc(C#N)c2)s1 ZINC000176594435 454761759 /nfs/dbraw/zinc/76/17/59/454761759.db2.gz XMTMNODFHIDYMC-UHFFFAOYSA-N -1 0 336.442 3.114 20 30 EGEDRM N#CC(=C([O-])c1cccc(OCC(F)F)n1)c1nc2ccccc2o1 ZINC000179363429 455039486 /nfs/dbraw/zinc/03/94/86/455039486.db2.gz LIKVWIDCVDBNCD-JTQLQIEISA-N -1 0 343.289 3.357 20 30 EGEDRM Cc1nc2n(n1)C[C@H](/N=C/c1cc(Cl)cc(Cl)c1[O-])CC2 ZINC000171252985 455052240 /nfs/dbraw/zinc/05/22/40/455052240.db2.gz DMGMQUGTRAVSQF-LDFGVUFUSA-N -1 0 325.199 3.033 20 30 EGEDRM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cc1 ZINC000182988572 455204239 /nfs/dbraw/zinc/20/42/39/455204239.db2.gz XNKCUHISMLWPCT-UHFFFAOYSA-N -1 0 334.784 3.215 20 30 EGEDRM CC(C)CCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)nc2)cc1 ZINC000174055609 455354666 /nfs/dbraw/zinc/35/46/66/455354666.db2.gz UNHLGUCFYALEKM-UHFFFAOYSA-N -1 0 345.424 3.179 20 30 EGEDRM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2cc(C#N)ccc2C)n[nH]1 ZINC000159880863 455412759 /nfs/dbraw/zinc/41/27/59/455412759.db2.gz KGYVKFZVMOFHKZ-LLVKDONJSA-N -1 0 332.429 3.294 20 30 EGEDRM Cc1c(C([O-])=C(C#N)c2cnc3ccccc3n2)cnn1CC(C)C ZINC000190973007 455417612 /nfs/dbraw/zinc/41/76/12/455417612.db2.gz AWXWNMXKGYCBKH-CQSZACIVSA-N -1 0 333.395 3.281 20 30 EGEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(Cl)c(F)c1 ZINC000184809471 455451345 /nfs/dbraw/zinc/45/13/45/455451345.db2.gz LGWJJEWCVWXSNE-UHFFFAOYSA-N -1 0 340.763 3.160 20 30 EGEDRM C=CCCCS(=O)(=O)[N-][C@H](c1ccc(OC)cc1)C(F)(F)F ZINC000292586552 455704678 /nfs/dbraw/zinc/70/46/78/455704678.db2.gz MFIYYFFOFOERIU-CYBMUJFWSA-N -1 0 337.363 3.184 20 30 EGEDRM C=CCOCCCC(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000268903086 455724764 /nfs/dbraw/zinc/72/47/64/455724764.db2.gz HTVZAZUOELZWPZ-UHFFFAOYSA-N -1 0 337.441 3.316 20 30 EGEDRM O=C([N-]Cc1cccc(COCC(F)(F)F)c1)C(F)(F)C(F)F ZINC000269758324 455852327 /nfs/dbraw/zinc/85/23/27/455852327.db2.gz ZLIWXAXILUIWAN-UHFFFAOYSA-N -1 0 347.230 3.282 20 30 EGEDRM COC(C)(C)c1nc(=NCc2ccc(F)c(C#N)c2Cl)s[n-]1 ZINC000601069037 460698592 /nfs/dbraw/zinc/69/85/92/460698592.db2.gz QTKQTQLMELWAFT-UHFFFAOYSA-N -1 0 340.811 3.118 20 30 EGEDRM C=CCC[C@H](NC(=O)[C@@H](C)CSc1ccc(F)cc1)C(=O)[O-] ZINC000262844017 456061695 /nfs/dbraw/zinc/06/16/95/456061695.db2.gz HEQUETGRICKPST-FZMZJTMJSA-N -1 0 325.405 3.090 20 30 EGEDRM C=CCC[C@H](NC(=O)[C@@H](C)Sc1ccccc1Cl)C(=O)[O-] ZINC000262910971 456067636 /nfs/dbraw/zinc/06/76/36/456067636.db2.gz NEWBUUHTYCXOTE-PWSUYJOCSA-N -1 0 327.833 3.356 20 30 EGEDRM C=CCC[C@H](NC(=O)c1sc(-c2cccs2)nc1C)C(=O)[O-] ZINC000262925903 456068751 /nfs/dbraw/zinc/06/87/51/456068751.db2.gz OLVFTYFYHZEMLC-JTQLQIEISA-N -1 0 336.438 3.329 20 30 EGEDRM N#Cc1cnc2ccc(OC(F)F)cc2c1N1CCC[C@H](C(=O)[O-])C1 ZINC000263385159 456138030 /nfs/dbraw/zinc/13/80/30/456138030.db2.gz DOTVNOUIJMZUAE-JTQLQIEISA-N -1 0 347.321 3.009 20 30 EGEDRM Cc1c(C(=O)/C=C/c2cccc(OCC(=O)[O-])c2)cnn1C(C)(C)C ZINC000188868645 456155723 /nfs/dbraw/zinc/15/57/23/456155723.db2.gz PBWRXKASANLHRA-CMDGGOBGSA-N -1 0 342.395 3.306 20 30 EGEDRM N#CC1(C(=O)[N-]OCc2ccc(F)cc2Br)CCCC1 ZINC000188927452 456173557 /nfs/dbraw/zinc/17/35/57/456173557.db2.gz PXUHPZKKAHWUHH-UHFFFAOYSA-N -1 0 341.180 3.220 20 30 EGEDRM CCc1cccc(S(=O)(=O)[N-]c2c(C#N)cnn2C2CCCC2)c1 ZINC000337753256 456523835 /nfs/dbraw/zinc/52/38/35/456523835.db2.gz GWADXGMLWPWXHM-UHFFFAOYSA-N -1 0 344.440 3.233 20 30 EGEDRM C#CCO[N-]C(=O)C(C)(C)c1csc(-c2ccc(F)cc2C)n1 ZINC000291284092 456590294 /nfs/dbraw/zinc/59/02/94/456590294.db2.gz OXXDNMPENRIZAP-UHFFFAOYSA-N -1 0 332.400 3.216 20 30 EGEDRM C=CCCCS(=O)(=O)[N-]c1ccc(Br)cc1C#N ZINC000291804480 456763062 /nfs/dbraw/zinc/76/30/62/456763062.db2.gz BTWJDKIBSURGIK-UHFFFAOYSA-N -1 0 329.219 3.029 20 30 EGEDRM C=CCCCS(=O)(=O)[N-]c1nc(CN2CCC[C@@H](C)C2)cs1 ZINC000291950334 456808762 /nfs/dbraw/zinc/80/87/62/456808762.db2.gz ZUHWCNGOGNNQHX-CYBMUJFWSA-N -1 0 343.518 3.083 20 30 EGEDRM COc1cc(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC2)cc(Cl)c1O ZINC000329100224 456835261 /nfs/dbraw/zinc/83/52/61/456835261.db2.gz DOCUINOAGVLGNC-BXUZGUMPSA-N -1 0 338.791 3.256 20 30 EGEDRM CC[C@@H](c1n[n-]c(=NC(=O)NCC(C)(C)C#N)s1)c1ccccc1 ZINC000349371489 456955801 /nfs/dbraw/zinc/95/58/01/456955801.db2.gz BPBLOUBFWRCWJX-CYBMUJFWSA-N -1 0 343.456 3.173 20 30 EGEDRM C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F)C(F)(F)F ZINC000341894473 456989903 /nfs/dbraw/zinc/98/99/03/456989903.db2.gz FZWJKOTWXAAIDP-YFKPBYRVSA-N -1 0 339.232 3.074 20 30 EGEDRM C[C@@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)C(F)(F)F ZINC000341896696 456991453 /nfs/dbraw/zinc/99/14/53/456991453.db2.gz JCTJMCIIWSWDBB-RXMQYKEDSA-N -1 0 339.232 3.074 20 30 EGEDRM CCc1sc(C([O-])=C(C#N)c2ccncn2)cc1Br ZINC000345991877 457010073 /nfs/dbraw/zinc/01/00/73/457010073.db2.gz KOUCVISCGGCPQI-MRVPVSSYSA-N -1 0 336.214 3.353 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)c2nc3ccccc3n2C)cc([N+](=O)[O-])c1 ZINC000358890880 457026079 /nfs/dbraw/zinc/02/60/79/457026079.db2.gz BPDCSCRCZHAZAH-CQSZACIVSA-N -1 0 334.335 3.280 20 30 EGEDRM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)NC2CCC(F)(F)CC2)c1 ZINC000330504906 457050741 /nfs/dbraw/zinc/05/07/41/457050741.db2.gz JDUMNWISLUEVDZ-UHFFFAOYSA-N -1 0 346.399 3.249 20 30 EGEDRM O=C(NCC1(O)CCCC1)c1cc(Cl)cc(Br)c1[O-] ZINC000331256246 457154703 /nfs/dbraw/zinc/15/47/03/457154703.db2.gz BKNBQVJNZSYAOM-UHFFFAOYSA-N -1 0 348.624 3.418 20 30 EGEDRM CCCc1noc2nc(C3CC3)cc(C([O-])=C(C#N)c3ccncn3)c12 ZINC000354457263 457234735 /nfs/dbraw/zinc/23/47/35/457234735.db2.gz AIPFYHLLWFTEJQ-ZDUSSCGKSA-N -1 0 347.378 3.333 20 30 EGEDRM CCCc1nc(=N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)s[n-]1 ZINC000360086580 457248162 /nfs/dbraw/zinc/24/81/62/457248162.db2.gz ZCPATTWXMVHELT-CYBMUJFWSA-N -1 0 345.447 3.004 20 30 EGEDRM CCOC(=O)c1cnc(/C=C/c2cccc(F)c2C#N)c(C(=O)[O-])c1 ZINC000357084287 457314663 /nfs/dbraw/zinc/31/46/63/457314663.db2.gz PMLDJHAAUXAFIA-VOTSOKGWSA-N -1 0 340.310 3.138 20 30 EGEDRM Cc1[n-][nH]c(=NC(=O)c2ccc3nc(-c4ccccc4)oc3c2)c1C#N ZINC000357251593 457401939 /nfs/dbraw/zinc/40/19/39/457401939.db2.gz FAKZGUOKCYQCGO-UHFFFAOYSA-N -1 0 343.346 3.072 20 30 EGEDRM Cc1nc([C@@H]2CCCO2)sc1C([O-])=C(C#N)c1cc(C)nc(C)n1 ZINC000347569058 457516584 /nfs/dbraw/zinc/51/65/84/457516584.db2.gz ANYRNUUKNYAVFT-OCCSQVGLSA-N -1 0 342.424 3.200 20 30 EGEDRM N#CC1(c2ccccn2)CCN(C(=O)c2ccc([O-])c(Cl)c2)CC1 ZINC000374359269 457599287 /nfs/dbraw/zinc/59/92/87/457599287.db2.gz IVNLHZKLRIEMQT-UHFFFAOYSA-N -1 0 341.798 3.138 20 30 EGEDRM C[C@H](c1cccc(C#N)c1)N(C)C(=O)N=c1[n-]nc(C(C)(C)C)s1 ZINC000425639746 457620303 /nfs/dbraw/zinc/62/03/03/457620303.db2.gz ZYEOOXYMRGPEKC-LLVKDONJSA-N -1 0 343.456 3.354 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2cn(CC(F)(F)F)nc2C)n1 ZINC000357796247 457693443 /nfs/dbraw/zinc/69/34/43/457693443.db2.gz JRMOTQPYWZUCCR-VIFPVBQESA-N -1 0 328.319 3.009 20 30 EGEDRM CCc1csc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)n1 ZINC000358144902 457812805 /nfs/dbraw/zinc/81/28/05/457812805.db2.gz VAZLZZSWECGIQJ-UHFFFAOYSA-N -1 0 327.818 3.031 20 30 EGEDRM CN(C)c1cc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)ccn1 ZINC000358369117 457960289 /nfs/dbraw/zinc/96/02/89/457960289.db2.gz ZAECSQJUMFQQPB-AWEZNQCLSA-N -1 0 349.419 3.156 20 30 EGEDRM COc1nc(C)ccc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000362120171 458030754 /nfs/dbraw/zinc/03/07/54/458030754.db2.gz UWORLERYPBABCT-GFCCVEGCSA-N -1 0 335.285 3.303 20 30 EGEDRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N[C@@]3(C#N)CC3(C)C)n2)cc1 ZINC000427893154 458047686 /nfs/dbraw/zinc/04/76/86/458047686.db2.gz ONOKQZAPIJEGOB-LJQANCHMSA-N -1 0 338.411 3.123 20 30 EGEDRM CC(C)(CC#N)CNC(=O)C[C@](C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000414094715 458314317 /nfs/dbraw/zinc/31/43/17/458314317.db2.gz GVIGFUVBFWHUJG-KRWDZBQOSA-N -1 0 336.819 3.128 20 30 EGEDRM N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)CC1(CC(=O)[O-])CCCC1 ZINC000416384745 458346041 /nfs/dbraw/zinc/34/60/41/458346041.db2.gz FFWZDJAVRYPPAX-QGZVFWFLSA-N -1 0 340.423 3.477 20 30 EGEDRM CCCc1c([N-]S(=O)(=O)[C@@H](C#N)CC)cnn1-c1cccc(C)c1 ZINC000416964059 458358260 /nfs/dbraw/zinc/35/82/60/458358260.db2.gz SAOZPXNYYXGZEY-OAHLLOKOSA-N -1 0 346.456 3.177 20 30 EGEDRM C=CCC[C@H](CO)N=c1[n-]c(C(F)(F)F)c(Br)s1 ZINC000418966907 458377632 /nfs/dbraw/zinc/37/76/32/458377632.db2.gz YRBIMKQTTZNUED-ZCFIWIBFSA-N -1 0 345.184 3.085 20 30 EGEDRM COc1ccccc1N=c1[n-]nc(SCC2(C#N)CCC2)s1 ZINC000450633587 458453386 /nfs/dbraw/zinc/45/33/86/458453386.db2.gz BEGXZADNLYIRSM-UHFFFAOYSA-N -1 0 332.454 3.498 20 30 EGEDRM N#C[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)C1CCCCC1 ZINC000450981799 458462037 /nfs/dbraw/zinc/46/20/37/458462037.db2.gz ATYQHNJIJAHTKG-GFCCVEGCSA-N -1 0 348.802 3.369 20 30 EGEDRM N#Cc1cc(F)c(CN=c2nc(Cc3ccccc3)[n-]s2)c(F)c1 ZINC000461217307 458552018 /nfs/dbraw/zinc/55/20/18/458552018.db2.gz HGUGTLXYEDIKQY-UHFFFAOYSA-N -1 0 342.374 3.313 20 30 EGEDRM C=CC(C)(C)CNC(=O)N=c1[n-]nc(Cc2cccc(F)c2)s1 ZINC000454740047 458573136 /nfs/dbraw/zinc/57/31/36/458573136.db2.gz IPKUYIKVCZLJPF-UHFFFAOYSA-N -1 0 334.420 3.024 20 30 EGEDRM C=C[C@H](CC(=O)N[C@@H](C(=O)[O-])c1ccc(OC)cc1)c1ccccc1 ZINC000431800563 458626696 /nfs/dbraw/zinc/62/66/96/458626696.db2.gz PJKKSBBGTJBRHE-AUUYWEPGSA-N -1 0 339.391 3.297 20 30 EGEDRM C=CCOc1cccnc1C(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC000431986057 458657526 /nfs/dbraw/zinc/65/75/26/458657526.db2.gz LJUSUTUNQXNEQK-UHFFFAOYSA-N -1 0 326.352 3.214 20 30 EGEDRM C=CCCN(C)C(=O)N=c1[n-]nc(-c2ccc(Cl)cc2F)s1 ZINC000471315908 458689677 /nfs/dbraw/zinc/68/96/77/458689677.db2.gz UGKVDNYLHPRWKI-UHFFFAOYSA-N -1 0 340.811 3.459 20 30 EGEDRM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1c(F)cccc1F ZINC000439612738 458731189 /nfs/dbraw/zinc/73/11/89/458731189.db2.gz JUYKKGZEIZCMNV-UHFFFAOYSA-N -1 0 337.351 3.069 20 30 EGEDRM Cc1[n-][nH]c(=NC(=O)C(Cc2ccccc2)Cc2ccccc2)c1C#N ZINC000508752187 458762463 /nfs/dbraw/zinc/76/24/63/458762463.db2.gz FCYOLNDLFBUDJS-UHFFFAOYSA-N -1 0 344.418 3.052 20 30 EGEDRM C=CCC[C@@H](C(=O)N=c1nc([C@@H](C)OC)[n-]s1)c1ccccc1 ZINC000511118514 458777302 /nfs/dbraw/zinc/77/73/02/458777302.db2.gz CLJXQVCAPZNNIP-TZMCWYRMSA-N -1 0 331.441 3.356 20 30 EGEDRM Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1ccc(F)cc1C#N ZINC000547953033 458814675 /nfs/dbraw/zinc/81/46/75/458814675.db2.gz OZHFGOJCKXQFKU-UHFFFAOYSA-N -1 0 341.367 3.355 20 30 EGEDRM CC(C)(C)OC(=O)NC1CCC(N=Nc2ccc(C(=O)[O-])cn2)CC1 ZINC000495602082 458894851 /nfs/dbraw/zinc/89/48/51/458894851.db2.gz GUCUFQVDLDGBGL-UHFFFAOYSA-N -1 0 348.403 3.015 20 30 EGEDRM N#CCc1ccc(S(=O)(=O)[N-]c2cc3c(cn2)CCC3)c(Cl)c1 ZINC000556265201 458943965 /nfs/dbraw/zinc/94/39/65/458943965.db2.gz XJFAWJAATOCFQZ-UHFFFAOYSA-N -1 0 347.827 3.091 20 30 EGEDRM C=CCOc1cccc(NC(=O)N[C@H](C(=O)[O-])c2cccs2)c1 ZINC000519680980 458985892 /nfs/dbraw/zinc/98/58/92/458985892.db2.gz VIUXSPOOENAQGE-AWEZNQCLSA-N -1 0 332.381 3.260 20 30 EGEDRM C=C[C@](C)(CC)C(=O)N=c1nc(Cc2ccc(F)cc2F)[n-]s1 ZINC000467920335 458991668 /nfs/dbraw/zinc/99/16/68/458991668.db2.gz SZJUGJMSRBZNLF-MRXNPFEDSA-N -1 0 337.395 3.370 20 30 EGEDRM Cc1ccc2c(ncc(C#N)c2NC[C@@H](C)C(=O)[O-])c1Br ZINC000594541690 459083641 /nfs/dbraw/zinc/08/36/41/459083641.db2.gz WYARKSPECWDDRW-SECBINFHSA-N -1 0 348.200 3.310 20 30 EGEDRM C=CCCO[C@@H](C)C(=O)N=c1nc(-c2cccc(Cl)c2)[n-]s1 ZINC000520971071 459107222 /nfs/dbraw/zinc/10/72/22/459107222.db2.gz ZZNCCOXCUPOYSM-JTQLQIEISA-N -1 0 337.832 3.200 20 30 EGEDRM CO[C@H](CS(=O)(=O)[N-]c1cc(Cl)ccc1C#N)C1CCCC1 ZINC000594723939 459141442 /nfs/dbraw/zinc/14/14/42/459141442.db2.gz RNBRCBCDHQQJCW-OAHLLOKOSA-N -1 0 342.848 3.159 20 30 EGEDRM C=CCn1c(Cc2ccc(F)cc2)n[n-]c1=Nc1cccc(OC)c1 ZINC000579176750 459244319 /nfs/dbraw/zinc/24/43/19/459244319.db2.gz QSRWFZYBBFGDDN-UHFFFAOYSA-N -1 0 338.386 3.368 20 30 EGEDRM CC(C)C[C@H](CNC(=O)N[C@@H](CCC#N)c1ccccc1)CC(=O)[O-] ZINC000595261313 459263446 /nfs/dbraw/zinc/26/34/46/459263446.db2.gz VVXFTQIPKMCNKP-RDJZCZTQSA-N -1 0 345.443 3.468 20 30 EGEDRM N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)C[C@@H](C(=O)[O-])c1ccccc1 ZINC000591325081 459355303 /nfs/dbraw/zinc/35/53/03/459355303.db2.gz UOEWVTOXNJAGAC-MOPGFXCFSA-N -1 0 348.402 3.310 20 30 EGEDRM CC(C)(C#N)CCS(=O)(=O)[N-]c1cc(F)ccc1OC(F)F ZINC000582847897 459439252 /nfs/dbraw/zinc/43/92/52/459439252.db2.gz BWENYLIAYSQDHM-UHFFFAOYSA-N -1 0 336.335 3.109 20 30 EGEDRM CC(C)(C)Oc1ccc(NC(=O)NCC2(C(=O)[O-])CCC2)cc1C#N ZINC000596066090 459507500 /nfs/dbraw/zinc/50/75/00/459507500.db2.gz COWHTVNIQSZZFT-UHFFFAOYSA-N -1 0 345.399 3.112 20 30 EGEDRM Cc1nn(C(C)(C)C)cc1C([O-])=C(C#N)c1nc2[nH]ccc(C)c-2n1 ZINC000542332633 459549176 /nfs/dbraw/zinc/54/91/76/459549176.db2.gz NDGZKJHNKHEOEZ-GFCCVEGCSA-N -1 0 336.399 3.016 20 30 EGEDRM C=C(C)[C@@H]1OCC[C@@H]1CNc1nc(C)nc2sc(C(=O)[O-])c(C)c21 ZINC000573254041 459650433 /nfs/dbraw/zinc/65/04/33/459650433.db2.gz OBYZVFQFFYEEQZ-YPMHNXCESA-N -1 0 347.440 3.399 20 30 EGEDRM C=CC[C@H]1N(C(=O)N=c2nc3cc(Cl)ccn3[n-]2)CCCC1(C)C ZINC000584142638 459664250 /nfs/dbraw/zinc/66/42/50/459664250.db2.gz JQROSYUTYXNRJJ-CYBMUJFWSA-N -1 0 347.850 3.403 20 30 EGEDRM C#C[C@@H](NC(=O)c1s[n-]c(=O)c1Cl)c1ccc(Cl)cc1 ZINC000491744735 459665653 /nfs/dbraw/zinc/66/56/53/459665653.db2.gz WFKFIPKBEOZOEZ-SECBINFHSA-N -1 0 327.192 3.260 20 30 EGEDRM Cc1ccc(Br)cc1-c1n[n-]c(=NCC2(C#N)CC2)s1 ZINC000574015049 459768100 /nfs/dbraw/zinc/76/81/00/459768100.db2.gz OJYJXCGUZPJENM-UHFFFAOYSA-N -1 0 349.257 3.414 20 30 EGEDRM Cc1ccc(C([O-])=C(C#N)C(=O)NC2CCCC2)cc1C(F)(F)F ZINC000528922814 459817777 /nfs/dbraw/zinc/81/77/77/459817777.db2.gz BVMGUWYXUFBRHL-ZDUSSCGKSA-N -1 0 338.329 3.395 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2N2CCCCC2)o1 ZINC000588113916 459917112 /nfs/dbraw/zinc/91/71/12/459917112.db2.gz BKFJPLJANUVART-UHFFFAOYSA-N -1 0 349.387 3.081 20 30 EGEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000598735578 460012364 /nfs/dbraw/zinc/01/23/64/460012364.db2.gz UNWMPAUOPLUMJD-JKSUJKDBSA-N -1 0 334.423 3.178 20 30 EGEDRM C[C@H](NCc1ccc(C(C)(C)C#N)cc1)c1nc(C(=O)[O-])cs1 ZINC000593949068 460023246 /nfs/dbraw/zinc/02/32/46/460023246.db2.gz SVEIBDVGZULNQW-NSHDSACASA-N -1 0 329.425 3.493 20 30 EGEDRM COc1c(C)ccc([N-]S(=O)(=O)c2ccc(C#N)cc2F)c1C ZINC000610056999 460056199 /nfs/dbraw/zinc/05/61/99/460056199.db2.gz XJJGMCRPFLBMOY-UHFFFAOYSA-N -1 0 334.372 3.124 20 30 EGEDRM C=CCC[C@H](NC(=O)Nc1ccc(OCC)c(Cl)c1)C(=O)[O-] ZINC000576713651 460200863 /nfs/dbraw/zinc/20/08/63/460200863.db2.gz LFPGXQZNURGMEZ-LBPRGKRZSA-N -1 0 326.780 3.280 20 30 EGEDRM CC[C@](C)(O)CN(Cc1ccccc1)C(=O)c1cc(O)cc(C#N)c1 ZINC000615299766 460306454 /nfs/dbraw/zinc/30/64/54/460306454.db2.gz HUEGHKXARNSJAY-FQEVSTJZSA-N -1 0 338.407 3.067 20 30 EGEDRM CCc1c(=O)n(-c2oc(C)nc2C#N)[n-]c1-c1ccc(F)cc1Cl ZINC000601938553 460951819 /nfs/dbraw/zinc/95/18/19/460951819.db2.gz LXEACSNTUUDCIZ-JTQLQIEISA-N -1 0 346.749 3.424 20 30 EGEDRM C=CC[C@@H]1CCCN(C(=O)c2nn(-c3ccc(F)cc3)cc2[O-])C1 ZINC000617783043 460975694 /nfs/dbraw/zinc/97/56/94/460975694.db2.gz SAFOKFYMYYQMHR-CYBMUJFWSA-N -1 0 329.375 3.145 20 30 EGEDRM Cc1ccc(C([O-])=C(C#N)c2nnc3n2CCCCC3)c(F)c1F ZINC000633900464 461319732 /nfs/dbraw/zinc/31/97/32/461319732.db2.gz PUWHDCARFUZOKC-LBPRGKRZSA-N -1 0 330.338 3.081 20 30 EGEDRM CCn1cc(C([O-])=C(C#N)c2cnc3ccccc3n2)c(C2CC2)n1 ZINC000633979598 461368897 /nfs/dbraw/zinc/36/88/97/461368897.db2.gz CAAVKZALSDSVMI-CYBMUJFWSA-N -1 0 331.379 3.214 20 30 EGEDRM C=CCOc1ccc(CN=c2nc(C(C)(C)OC)[n-]s2)cc1OC ZINC000630959872 461440276 /nfs/dbraw/zinc/44/02/76/461440276.db2.gz MKOIKEXDWZHLHD-UHFFFAOYSA-N -1 0 349.456 3.027 20 30 EGEDRM C=CCC[C@H](NC(=O)N[C@H](C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000654792079 462383718 /nfs/dbraw/zinc/38/37/18/462383718.db2.gz XEYIOUAYBJYWHP-MFKMUULPSA-N -1 0 344.333 3.485 20 30 EGEDRM C=CCCC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000398053361 547835188 /nfs/dbraw/zinc/83/51/88/547835188.db2.gz CECBIIMZDAWLMW-SNVBAGLBSA-N -1 0 331.821 3.061 20 30 EGEDRM C=C(C)[C@H](NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-])c1ccc(F)c(F)c1 ZINC000681349718 549984855 /nfs/dbraw/zinc/98/48/55/549984855.db2.gz VFYRDUZGXNQYES-XEZPLFJOSA-N -1 0 335.350 3.365 20 30 EGEDRM C=C(C)[C@H](NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-])c1ccc(F)c(F)c1 ZINC000681349717 549985251 /nfs/dbraw/zinc/98/52/51/549985251.db2.gz VFYRDUZGXNQYES-WWGRRREGSA-N -1 0 335.350 3.365 20 30 EGEDRM N#CC(=C([O-])c1cccc(C#N)n1)c1nc2ccccc2n1C(F)F ZINC000685784232 550442283 /nfs/dbraw/zinc/44/22/83/550442283.db2.gz UIGOXKARZPSTIL-NSHDSACASA-N -1 0 337.289 3.188 20 30 EGEDRM CS(=O)(=O)c1ccc(/C=C2/CCc3cc(O)ccc3C2=O)cc1 ZINC000726427678 574552745 /nfs/dbraw/zinc/55/27/45/574552745.db2.gz SSMDIXLXFVLVBK-UVTDQMKNSA-N -1 0 328.389 3.008 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2csc(C(C)C)n2)n1 ZINC000726688104 574566193 /nfs/dbraw/zinc/56/61/93/574566193.db2.gz OZWZBUXRVHALBZ-SNVBAGLBSA-N -1 0 349.437 3.065 20 30 EGEDRM N#CCOC(=O)c1ccsc1NC(=O)c1ccc(Cl)cc1[O-] ZINC000730371823 574981997 /nfs/dbraw/zinc/98/19/97/574981997.db2.gz SMIJGYGBDXFYOP-UHFFFAOYSA-N -1 0 336.756 3.040 20 30 EGEDRM C#CCOc1cccc(NC(=O)c2ccc(Br)cc2[O-])c1 ZINC000731052731 575049765 /nfs/dbraw/zinc/04/97/65/575049765.db2.gz KNNSNOHOVJBJKX-UHFFFAOYSA-N -1 0 346.180 3.419 20 30 EGEDRM COC(=O)c1ccc2[nH]cc(C=NNc3cccc(C(=O)[O-])c3)c2c1 ZINC000731922833 575220445 /nfs/dbraw/zinc/22/04/45/575220445.db2.gz NUYVJAUZGNZVDL-UHFFFAOYSA-N -1 0 337.335 3.099 20 30 EGEDRM COc1cc(C)ccc1C(=O)/C=C/c1cccc(OCC(=O)[O-])c1 ZINC000733206297 575319553 /nfs/dbraw/zinc/31/95/53/575319553.db2.gz GFNLEXMPQBPXCJ-VQHVLOKHSA-N -1 0 326.348 3.363 20 30 EGEDRM O=C([O-])COc1cccc(/C=C/C(=O)c2ccc(-n3cccn3)cc2)c1 ZINC000733206906 575320506 /nfs/dbraw/zinc/32/05/06/575320506.db2.gz SCNJLQIDHWDNSE-BJMVGYQFSA-N -1 0 348.358 3.232 20 30 EGEDRM COc1ncc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)cn1 ZINC000734080062 575433461 /nfs/dbraw/zinc/43/34/61/575433461.db2.gz IWBYWEMFXXGIND-JTQLQIEISA-N -1 0 344.783 3.238 20 30 EGEDRM Cc1ccc(-c2ncc(C=NNc3nc(C)cc(=O)[nH]3)s2)cc1 ZINC000734295136 575463132 /nfs/dbraw/zinc/46/31/32/575463132.db2.gz BEENEJCLXCIRIR-UHFFFAOYSA-N -1 0 325.397 3.369 20 30 EGEDRM CCCCCCCC(=O)[N-]S(=O)(=O)c1ccc(OC)c(C)c1C ZINC000735407824 575657959 /nfs/dbraw/zinc/65/79/59/575657959.db2.gz QHVTWVDYQWRAES-UHFFFAOYSA-N -1 0 341.473 3.477 20 30 EGEDRM C=CCN(CC1CCCCC1)S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000736108170 575896903 /nfs/dbraw/zinc/89/69/03/575896903.db2.gz MUNGPKCLRKVDCT-UHFFFAOYSA-N -1 0 337.441 3.142 20 30 EGEDRM C#CCOc1ccc(NC(=O)N[C@H](CC(=O)[O-])c2cccs2)cc1 ZINC000736089489 575898019 /nfs/dbraw/zinc/89/80/19/575898019.db2.gz LKJWKOOOURXQHN-CQSZACIVSA-N -1 0 344.392 3.098 20 30 EGEDRM C#CCOc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000736089749 575898124 /nfs/dbraw/zinc/89/81/24/575898124.db2.gz PMILFAFUVURDNI-UHFFFAOYSA-N -1 0 329.739 3.303 20 30 EGEDRM C=CCOc1ccc(C(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000736109292 575899130 /nfs/dbraw/zinc/89/91/30/575899130.db2.gz GCFYMVQCILDTRV-KRWDZBQOSA-N -1 0 325.364 3.149 20 30 EGEDRM C=C(C)CN(CC)C(=O)CSc1nc2ccc(C(=O)[O-])cc2o1 ZINC000736095449 575899283 /nfs/dbraw/zinc/89/92/83/575899283.db2.gz XOKHMFUKRUAPPP-UHFFFAOYSA-N -1 0 334.397 3.043 20 30 EGEDRM CC(C)(C)c1ncc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)s1 ZINC000736302710 575930577 /nfs/dbraw/zinc/93/05/77/575930577.db2.gz CXJZAQUTIXBHAN-CYBMUJFWSA-N -1 0 344.392 3.295 20 30 EGEDRM CC(C)C[C@H](NC(=O)[O-])C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 ZINC000736414816 575953332 /nfs/dbraw/zinc/95/33/32/575953332.db2.gz JPDYCYPIBFOWIV-PWSUYJOCSA-N -1 0 349.387 3.294 20 30 EGEDRM CC(C)Oc1nnc(S[C@@H](C(=O)[O-])c2ccc(C#N)cc2)s1 ZINC000736493244 575973684 /nfs/dbraw/zinc/97/36/84/575973684.db2.gz QEPPJHPOQWFJPN-LLVKDONJSA-N -1 0 335.410 3.115 20 30 EGEDRM C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(C(=O)[O-])cn1 ZINC000736545570 575982099 /nfs/dbraw/zinc/98/20/99/575982099.db2.gz SGAUTSQRGFLLJS-NSHDSACASA-N -1 0 341.392 3.426 20 30 EGEDRM C[C@@H](CC(=O)[O-])SCC(=O)C=C1N(C)c2ccccc2C1(C)C ZINC000736551884 575983207 /nfs/dbraw/zinc/98/32/07/575983207.db2.gz LOJDEBQMCWONEB-KPENOIPVSA-N -1 0 333.453 3.463 20 30 EGEDRM C[C@@H](CSCC(=O)c1cn(CCC#N)c2ccccc12)C(=O)[O-] ZINC000736613400 575988533 /nfs/dbraw/zinc/98/85/33/575988533.db2.gz OLEWNYWWSMQIDC-LBPRGKRZSA-N -1 0 330.409 3.192 20 30 EGEDRM CCN(CCC(=O)[O-])C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000737097304 576113309 /nfs/dbraw/zinc/11/33/09/576113309.db2.gz OMRGIWKPZHALBQ-UHFFFAOYSA-N -1 0 338.363 3.287 20 30 EGEDRM Cc1cccc(CN=Nc2oc(C(C)C)nc2-c2nnn[n-]2)c1C ZINC000737391827 576219868 /nfs/dbraw/zinc/21/98/68/576219868.db2.gz JPZKPXDKZYUKHQ-UHFFFAOYSA-N -1 0 325.376 3.041 20 30 EGEDRM CN(Cc1ccn(-c2ccccc2)n1)[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737494392 576237798 /nfs/dbraw/zinc/23/77/98/576237798.db2.gz NZDWQSFZIOMLLL-IBGZPJMESA-N -1 0 346.390 3.002 20 30 EGEDRM CCc1cc(C(=O)[O-])c(NC(=O)Cc2ccc(OCC#N)cc2)s1 ZINC000737897548 576270712 /nfs/dbraw/zinc/27/07/12/576270712.db2.gz WBALLOPETBIJBO-UHFFFAOYSA-N -1 0 344.392 3.092 20 30 EGEDRM CSc1ccc([C@H](CC(=O)[O-])/N=C\c2ccc(O)c(O)c2O)cc1 ZINC000738199679 576299052 /nfs/dbraw/zinc/29/90/52/576299052.db2.gz PUAUALZQBLQEBD-OCTXWABXSA-N -1 0 347.392 3.160 20 30 EGEDRM Cc1cc(NC(=O)CSCc2ccc(C#N)cc2)sc1C(=O)[O-] ZINC000738431569 576325289 /nfs/dbraw/zinc/32/52/89/576325289.db2.gz CZFXKMXVNNDRPD-UHFFFAOYSA-N -1 0 346.433 3.498 20 30 EGEDRM N#CCOc1cccc(C=Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)c1 ZINC000739087427 576377410 /nfs/dbraw/zinc/37/74/10/576377410.db2.gz IMYVXCQJVLWJFB-QPJJXVBHSA-N -1 0 347.330 3.106 20 30 EGEDRM N#Cc1cc(F)ccc1N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000739098297 576377892 /nfs/dbraw/zinc/37/78/92/576377892.db2.gz CIMBCBSLYQPKRS-UHFFFAOYSA-N -1 0 335.338 3.440 20 30 EGEDRM N#Cc1ccc([C@@H](OC(=O)CCSc2ccccc2)C(=O)[O-])cc1 ZINC000739107850 576378337 /nfs/dbraw/zinc/37/83/37/576378337.db2.gz CEEQVSJGHJCUOM-QGZVFWFLSA-N -1 0 341.388 3.410 20 30 EGEDRM N#Cc1ccc([C@@H](NCc2cc3c(s2)CCCC3)C(=O)[O-])cc1 ZINC000739108904 576378374 /nfs/dbraw/zinc/37/83/74/576378374.db2.gz YAPGWOFLVJORAJ-QGZVFWFLSA-N -1 0 326.421 3.414 20 30 EGEDRM N#Cc1ccc([C@H](Nc2ccc(NC(=O)C3CC3)cc2)C(=O)[O-])cc1 ZINC000739110265 576378502 /nfs/dbraw/zinc/37/85/02/576378502.db2.gz PHMPNQSNSSHPPB-KRWDZBQOSA-N -1 0 335.363 3.145 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)c2cc3ccccc3cc2O)C(=O)[O-])cc1 ZINC000739115629 576378737 /nfs/dbraw/zinc/37/87/37/576378737.db2.gz UQEMTEOTMKSUTO-SFHVURJKSA-N -1 0 347.326 3.400 20 30 EGEDRM N#Cc1ccc([C@H](Sc2nccc(C(F)(F)F)n2)C(=O)[O-])cc1 ZINC000739117011 576378804 /nfs/dbraw/zinc/37/88/04/576378804.db2.gz HHEAXMCYOOAVJZ-NSHDSACASA-N -1 0 339.298 3.285 20 30 EGEDRM N#Cc1ccc([C@@H](Sc2nncn2-c2ccccc2)C(=O)[O-])cc1 ZINC000739117181 576378858 /nfs/dbraw/zinc/37/88/58/576378858.db2.gz JNLATZSKNFGFLF-OAHLLOKOSA-N -1 0 336.376 3.057 20 30 EGEDRM N#Cc1ccc(CCC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)cc1 ZINC000739118422 576378995 /nfs/dbraw/zinc/37/89/95/576378995.db2.gz RNKOAVQCSSTVDF-UHFFFAOYSA-N -1 0 327.315 3.359 20 30 EGEDRM N#Cc1ccc(OCCCOC(=O)c2ccccc2NC(=O)[O-])cc1 ZINC000739128484 576379171 /nfs/dbraw/zinc/37/91/71/576379171.db2.gz FSEAYCLQPCMHLD-UHFFFAOYSA-N -1 0 340.335 3.274 20 30 EGEDRM N#Cc1ccccc1-c1ccccc1C(=O)N[C@H]1CCCN(C(=O)[O-])C1 ZINC000739139913 576379504 /nfs/dbraw/zinc/37/95/04/576379504.db2.gz LWZKNRRODIUBOS-HNNXBMFYSA-N -1 0 349.390 3.097 20 30 EGEDRM O=C([O-])c1ccnc(NC(=O)c2ccc(C#Cc3ccccc3)cc2)c1 ZINC000740244852 576569532 /nfs/dbraw/zinc/56/95/32/576569532.db2.gz OCQWIFGXDCMKCE-UHFFFAOYSA-N -1 0 342.354 3.432 20 30 EGEDRM O=C([O-])c1coc(C2=NNC(=Nc3ccccc3Cl)SC2)c1 ZINC000740270043 576572003 /nfs/dbraw/zinc/57/20/03/576572003.db2.gz VUJNOXSCFALUOD-UHFFFAOYSA-N -1 0 335.772 3.359 20 30 EGEDRM CC(=NNc1[n-]cnc2ncnc1-2)c1cccc(-c2ccncc2)c1 ZINC000741460733 576688013 /nfs/dbraw/zinc/68/80/13/576688013.db2.gz BANIAVKFXFRBKB-UHFFFAOYSA-N -1 0 329.367 3.251 20 30 EGEDRM CC(C)(C)OC(=O)NC[C@@H]1CCCC1N=Nc1cccc(C(=O)[O-])c1 ZINC000741758763 576717787 /nfs/dbraw/zinc/71/77/87/576717787.db2.gz BIJBECWCPJAAKT-ZDUSSCGKSA-N -1 0 347.415 3.478 20 30 EGEDRM C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1cccc(F)c1C ZINC000743264769 576804783 /nfs/dbraw/zinc/80/47/83/576804783.db2.gz NVRYBFQKISWJKR-UHFFFAOYSA-N -1 0 337.347 3.086 20 30 EGEDRM C=CCN(Cc1ccccc1F)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000817681114 597299289 /nfs/dbraw/zinc/29/92/89/597299289.db2.gz WEVVXCYDJXQDSY-UHFFFAOYSA-N -1 0 342.370 3.422 20 30 EGEDRM C[C@@H](NC(=O)NCCC(=O)[O-])c1ccc(-c2cccc(C#N)c2)cc1 ZINC000820122608 597720945 /nfs/dbraw/zinc/72/09/45/597720945.db2.gz WRWAIQADNOKBPM-CYBMUJFWSA-N -1 0 337.379 3.060 20 30 EGEDRM CC(C)(C)Oc1c(F)cc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])cc1F ZINC000819927103 597721255 /nfs/dbraw/zinc/72/12/55/597721255.db2.gz BKCVGDPVTMKYDC-MRXNPFEDSA-N -1 0 340.326 3.085 20 30 EGEDRM C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000819874653 598206730 /nfs/dbraw/zinc/20/67/30/598206730.db2.gz OBPNXICWVJMVTE-DGCLKSJQSA-N -1 0 333.413 3.019 20 30 EGEDRM Cc1sc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])nc1-c1ccc(F)cc1 ZINC000821257725 598222282 /nfs/dbraw/zinc/22/22/82/598222282.db2.gz UOLUUNVVZZYFMR-MRXNPFEDSA-N -1 0 347.371 3.201 20 30 EGEDRM Cc1sc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])nc1-c1ccc(C)cc1 ZINC000821051960 598222306 /nfs/dbraw/zinc/22/23/06/598222306.db2.gz FCZUODWQGVYYLX-QGZVFWFLSA-N -1 0 343.408 3.370 20 30 EGEDRM CC(C)Sc1ccc([C@@H](C)NC(=O)[C@@](C)(C#N)CC(=O)[O-])cc1 ZINC000820036637 598226881 /nfs/dbraw/zinc/22/68/81/598226881.db2.gz IGSZEAPUVHWIQL-SJKOYZFVSA-N -1 0 334.441 3.369 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1nc(/C=C\c2ccccc2)cs1 ZINC000819865686 598227909 /nfs/dbraw/zinc/22/79/09/598227909.db2.gz NGQBRYUSMQZUHQ-ZPUOCTKUSA-N -1 0 341.392 3.257 20 30 EGEDRM C[C@H](OC(=O)[C@](C)(C#N)CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000820161439 598228199 /nfs/dbraw/zinc/22/81/99/598228199.db2.gz PCWWDBSZCMROKS-XPTSAGLGSA-N -1 0 345.273 3.194 20 30 EGEDRM O=C([O-])c1cn(CC(=O)OCCC#Cc2ccccc2)c2ccccc12 ZINC000833120414 600960296 /nfs/dbraw/zinc/96/02/96/600960296.db2.gz WEXYYLALTUZFQN-UHFFFAOYSA-N -1 0 347.370 3.325 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@@H](C)c1cccnc1 ZINC000825702411 600995252 /nfs/dbraw/zinc/99/52/52/600995252.db2.gz MODFQSFZEHMJMH-LBPRGKRZSA-N -1 0 341.363 3.226 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@H](C)c1cccnc1 ZINC000825702410 600995484 /nfs/dbraw/zinc/99/54/84/600995484.db2.gz MODFQSFZEHMJMH-GFCCVEGCSA-N -1 0 341.363 3.226 20 30 EGEDRM C[C@H](NC(=O)Nc1cc(C(=O)[O-])ccc1F)c1cccc(C#N)c1 ZINC000827665233 601011714 /nfs/dbraw/zinc/01/17/14/601011714.db2.gz PPBOCYHPCSZXCP-JTQLQIEISA-N -1 0 327.315 3.278 20 30 EGEDRM N#Cc1cccc(C(=O)OCCOc2ccc(C(=O)[O-])cc2Cl)c1 ZINC000833073923 601060349 /nfs/dbraw/zinc/06/03/49/601060349.db2.gz KHRQEOPPXUPZLW-UHFFFAOYSA-N -1 0 345.738 3.146 20 30 EGEDRM CC#CCOC(=O)c1ccccc1SCc1occc1C(=O)[O-] ZINC000825716747 601113047 /nfs/dbraw/zinc/11/30/47/601113047.db2.gz OBVYRGCYSYKFKN-UHFFFAOYSA-N -1 0 330.361 3.450 20 30 EGEDRM C#CCOc1ccc([C@H](C)OC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000825632324 601238932 /nfs/dbraw/zinc/23/89/32/601238932.db2.gz XOTAGMKCJCBILF-IMJJTQAJSA-N -1 0 330.380 3.194 20 30 EGEDRM N#Cc1cccc([C@@H](Nc2ccn(Cc3ccccc3)n2)C(=O)[O-])c1 ZINC000833076258 601305828 /nfs/dbraw/zinc/30/58/28/601305828.db2.gz STSCDVDAYXRUEY-GOSISDBHSA-N -1 0 332.363 3.041 20 30 EGEDRM CC(C)NC(=O)Nc1ccc(C(=O)/C=C\c2ccc(C(=O)[O-])[nH]2)cc1 ZINC000826975857 601331398 /nfs/dbraw/zinc/33/13/98/601331398.db2.gz COKMIYALEGOLRW-NTMALXAHSA-N -1 0 341.367 3.139 20 30 EGEDRM CC(C)=C[C@@H]1[C@@H](C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)C1(C)C ZINC000826647648 601345577 /nfs/dbraw/zinc/34/55/77/601345577.db2.gz JAORGMACQQZHLB-OWCLPIDISA-N -1 0 327.380 3.466 20 30 EGEDRM Cc1cc(C(=O)[O-])c2c(n1)nc(SCCCC(C)(C)C#N)[nH]c2=O ZINC000832868068 601346924 /nfs/dbraw/zinc/34/69/24/601346924.db2.gz WAJLSNHSWLNBNG-UHFFFAOYSA-N -1 0 346.412 3.159 20 30 EGEDRM Cc1cccc2[nH]cc(CC(=O)O[C@@H](C(=O)[O-])c3cccc(C#N)c3)c21 ZINC000832976004 601353165 /nfs/dbraw/zinc/35/31/65/601353165.db2.gz GOFMUSAKGOKBGP-LJQANCHMSA-N -1 0 348.358 3.260 20 30 EGEDRM CCOc1cc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)ccc1C ZINC000830037642 601353745 /nfs/dbraw/zinc/35/37/45/601353745.db2.gz GIXIULWGVDSJDA-QGZVFWFLSA-N -1 0 339.347 3.248 20 30 EGEDRM Cc1[nH]c(C2=NNC(=Nc3ccccc3C)SC2)c(C)c1C(=O)[O-] ZINC000832978462 601398700 /nfs/dbraw/zinc/39/87/00/601398700.db2.gz GMVRDLAWYOURGE-UHFFFAOYSA-N -1 0 342.424 3.366 20 30 EGEDRM Cc1cc(Cn2cc(C#N)c(=O)c3cc(Cl)ccc32)oc1C(=O)[O-] ZINC000832886446 601407770 /nfs/dbraw/zinc/40/77/70/601407770.db2.gz CWDQCRGYRFNQRQ-UHFFFAOYSA-N -1 0 342.738 3.175 20 30 EGEDRM COc1cc(C(=O)/C=C/c2ccc(C(=O)[O-])[nH]2)ccc1OC(F)F ZINC000831860842 601445048 /nfs/dbraw/zinc/44/50/48/601445048.db2.gz GAUYYZXJMHISBV-GQCTYLIASA-N -1 0 337.278 3.219 20 30 EGEDRM C#Cc1cccc(N(C)C(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)c1 ZINC000825636974 601556631 /nfs/dbraw/zinc/55/66/31/601556631.db2.gz YRPYOKGBPIDCBM-UHFFFAOYSA-N -1 0 337.375 3.025 20 30 EGEDRM N#Cc1csc(C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)c1 ZINC000833078320 601564133 /nfs/dbraw/zinc/56/41/33/601564133.db2.gz GNAIXPWHIZHYEB-UHFFFAOYSA-N -1 0 330.365 3.116 20 30 EGEDRM N#Cc1ccc([C@@H](C(=O)[O-])N2CCc3c(F)ccc(F)c3C2)cc1 ZINC000833072775 601611892 /nfs/dbraw/zinc/61/18/92/601611892.db2.gz YZPPALVBGDXHJM-KRWDZBQOSA-N -1 0 328.318 3.020 20 30 EGEDRM C=CCn1c(SCc2ccc(C(=O)[O-])c(F)c2)nnc1C1CC1 ZINC000825711080 601620911 /nfs/dbraw/zinc/62/09/11/601620911.db2.gz NQOWCXDWCBKKQN-UHFFFAOYSA-N -1 0 333.388 3.471 20 30 EGEDRM N#Cc1cc(F)c(C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)c(F)c1 ZINC000833068588 601681868 /nfs/dbraw/zinc/68/18/68/601681868.db2.gz CTVMIJUWUSNDKC-NSHDSACASA-N -1 0 342.301 3.055 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)C2(Cc3ccccc3)CC2)C(=O)[O-])cc1 ZINC000833072555 601683861 /nfs/dbraw/zinc/68/38/61/601683861.db2.gz ODLIFRAKWJHGSZ-KRWDZBQOSA-N -1 0 335.359 3.250 20 30 EGEDRM CC(C)(CNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)C(=O)[O-] ZINC000826602066 601709440 /nfs/dbraw/zinc/70/94/40/601709440.db2.gz IZCUESJDXDLKGH-UHFFFAOYSA-N -1 0 338.363 3.191 20 30 EGEDRM CC[C@H](NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)C(=O)[O-] ZINC000828976425 601754457 /nfs/dbraw/zinc/75/44/57/601754457.db2.gz POEYPALHOGVUIS-HNNXBMFYSA-N -1 0 342.326 3.083 20 30 EGEDRM Cc1ccc(C)c(N=C2NC(=O)/C(=C/c3c[nH]c(C(=O)[O-])c3)S2)c1 ZINC000832926024 601789533 /nfs/dbraw/zinc/78/95/33/601789533.db2.gz BSWFPEOIDKEPOE-AUWJEWJLSA-N -1 0 341.392 3.221 20 30 EGEDRM O=C([O-])c1cc(/C=C2/COc3ccc(Br)cc3C2=O)c[nH]1 ZINC000833298083 601792559 /nfs/dbraw/zinc/79/25/59/601792559.db2.gz MZVOVGBDHVYQJC-OQFOIZHKSA-N -1 0 348.152 3.134 20 30 EGEDRM O=C([O-])c1cc(/C=C2/CC/C(=C\c3cccc([N+](=O)[O-])c3)C2=O)c[nH]1 ZINC000833355124 601792769 /nfs/dbraw/zinc/79/27/69/601792769.db2.gz JNMVAOHZIAWOQQ-JFCLYLFASA-N -1 0 338.319 3.451 20 30 EGEDRM Cc1oc(COc2ccc(Br)cc2C#N)cc1C(=O)[O-] ZINC000161757479 602313670 /nfs/dbraw/zinc/31/36/70/602313670.db2.gz VDUYRBNKESMKJR-UHFFFAOYSA-N -1 0 336.141 3.499 20 30 EGEDRM Cc1ccc(CC(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)c(Cl)c1 ZINC000832928189 602342253 /nfs/dbraw/zinc/34/22/53/602342253.db2.gz ANYDDOTWCNPVJP-QGZVFWFLSA-N -1 0 343.766 3.432 20 30 EGEDRM C#C[C@@H](OC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1)C1CC1 ZINC000833361060 604476201 /nfs/dbraw/zinc/47/62/01/604476201.db2.gz VZGYDSIIWFEOAQ-GFCCVEGCSA-N -1 0 327.258 3.364 20 30 EGEDRM CC(C)(C)c1nc(CSCc2cccc(C(=O)[O-])c2C#N)no1 ZINC000833450667 604538113 /nfs/dbraw/zinc/53/81/13/604538113.db2.gz HOCZODZLTPHCEY-UHFFFAOYSA-N -1 0 331.397 3.370 20 30 EGEDRM C=C(C)[C@@H](CC(=O)Nc1nc2nc(C)cc(C(=O)[O-])c2s1)OCC ZINC000833367604 604555251 /nfs/dbraw/zinc/55/52/51/604555251.db2.gz OYRCYLVWJLZCOH-LLVKDONJSA-N -1 0 349.412 3.008 20 30 EGEDRM Cc1cc([C@@H](C)OC(=O)Cc2ccc(OCC#N)cc2)oc1C(=O)[O-] ZINC000832872595 604585889 /nfs/dbraw/zinc/58/58/89/604585889.db2.gz RNKAMFXRZKGVCH-GFCCVEGCSA-N -1 0 343.335 3.036 20 30 EGEDRM C=C(C)[C@H](CC(=O)O[C@@H](C(=O)[O-])c1cccc(Cl)c1)OCC ZINC000833368791 604597602 /nfs/dbraw/zinc/59/76/02/604597602.db2.gz VFGBTXGADQCBCE-DZGCQCFKSA-N -1 0 326.776 3.380 20 30 EGEDRM CC(C)c1csc([C@@H](C#N)C(=O)Nc2ccccc2C(=O)[O-])n1 ZINC000833511370 604625564 /nfs/dbraw/zinc/62/55/64/604625564.db2.gz NZJOUXRLHIFSSS-NSHDSACASA-N -1 0 329.381 3.211 20 30 EGEDRM CCOc1ccc(C(C)N=Nc2ccc(C(=O)[O-])cn2)cc1OCC ZINC000763371058 604667020 /nfs/dbraw/zinc/66/70/20/604667020.db2.gz YWABDYTWIUZQLT-UHFFFAOYSA-N -1 0 343.383 3.413 20 30 EGEDRM N#Cc1c(Cl)nsc1Oc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000833760957 604824337 /nfs/dbraw/zinc/82/43/37/604824337.db2.gz KCHBKHLXEWBBEV-UHFFFAOYSA-N -1 0 325.689 3.067 20 30 EGEDRM C[C@@H](C(=O)[O-])n1cccc1CN=Nc1ncnc2c3ccccc3oc21 ZINC000833405031 605038697 /nfs/dbraw/zinc/03/86/97/605038697.db2.gz BMWOUUZPSMUVJB-NSHDSACASA-N -1 0 349.350 3.269 20 30 EGEDRM C=CCn1c(S[C@@H](C(=O)[O-])C2CC2)nnc1-c1ccc(C)cc1 ZINC000833380675 605072211 /nfs/dbraw/zinc/07/22/11/605072211.db2.gz MFAPMAJOFVPHLQ-CQSZACIVSA-N -1 0 329.425 3.395 20 30 EGEDRM CC(=NNc1ccccc1C(=O)[O-])c1ncc(Br)s1 ZINC000756876958 605097294 /nfs/dbraw/zinc/09/72/94/605097294.db2.gz SWJNOYJQFWHTLK-UHFFFAOYSA-N -1 0 340.202 3.440 20 30 EGEDRM C#CCOc1ccccc1CN[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000833366898 605356819 /nfs/dbraw/zinc/35/68/19/605356819.db2.gz LJIYPMIKZZFZRC-QGZVFWFLSA-N -1 0 347.773 3.407 20 30 EGEDRM CC1(C#N)CCN(C(=O)Nc2cccc(CSCC(=O)[O-])c2)CC1 ZINC000833551482 605711527 /nfs/dbraw/zinc/71/15/27/605711527.db2.gz MBOUCPXODDPPPR-UHFFFAOYSA-N -1 0 347.440 3.162 20 30 EGEDRM COc1cc(/C=C2\CCc3ccccc3C2=O)ccc1OCC(=O)[O-] ZINC000007741604 1291087583 /nfs/dbraw/zinc/08/75/83/1291087583.db2.gz JEGGMUZBKOHOKK-XNTDXEJSSA-N -1 0 338.359 3.371 20 30 EGEDRM COc1ccc(/C=C/C(=O)c2cccc(OCC(=O)[O-])c2)cc1C ZINC000011330458 1291124784 /nfs/dbraw/zinc/12/47/84/1291124784.db2.gz VEMCPFHFARJHCL-SOFGYWHQSA-N -1 0 326.348 3.363 20 30 EGEDRM CCCCCC(=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000042241202 1291437323 /nfs/dbraw/zinc/43/73/23/1291437323.db2.gz SNOJJSFJXIIGPZ-UHFFFAOYSA-N -1 0 334.781 3.474 20 30 EGEDRM Cc1ccc(OCC(=O)[N-]S(=O)(=O)c2ccc(F)cc2)cc1C ZINC000042251640 1291438553 /nfs/dbraw/zinc/43/85/53/1291438553.db2.gz AXSUUNFWZNVHLU-UHFFFAOYSA-N -1 0 337.372 3.167 20 30 EGEDRM COc1ccc(CC(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000046708835 1291551959 /nfs/dbraw/zinc/55/19/59/1291551959.db2.gz DQZBJDMUMWNFRX-UHFFFAOYSA-N -1 0 339.800 3.237 20 30 EGEDRM COc1ccccc1CC(=O)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000046928855 1291557913 /nfs/dbraw/zinc/55/79/13/1291557913.db2.gz HFRBOCFZXMSKGL-UHFFFAOYSA-N -1 0 345.829 3.298 20 30 EGEDRM Cc1[nH]c2c(cccc2C(=O)[N-]S(=O)(=O)c2ccccc2)c1C ZINC000048407005 1291603477 /nfs/dbraw/zinc/60/34/77/1291603477.db2.gz HWOODAKVRIUNQA-UHFFFAOYSA-N -1 0 328.393 3.478 20 30 EGEDRM Cc1ccc(OCCC(=O)[N-]S(=O)(=O)c2ccccc2)cc1C ZINC000048406583 1291603794 /nfs/dbraw/zinc/60/37/94/1291603794.db2.gz SKKXUDOGKBDAOP-UHFFFAOYSA-N -1 0 333.409 3.418 20 30 EGEDRM Cc1ccc(O[C@H](C)C(=O)[N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000048453528 1291605405 /nfs/dbraw/zinc/60/54/05/1291605405.db2.gz CCJSGPVOFRFAEB-GFCCVEGCSA-N -1 0 337.372 3.247 20 30 EGEDRM CS(=O)(=O)[N-]C(=O)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000048480590 1291606438 /nfs/dbraw/zinc/60/64/38/1291606438.db2.gz DBNMWVNFPKBGIR-MNOVXSKESA-N -1 0 336.438 3.262 20 30 EGEDRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)C1(c2ccccc2)CCC1 ZINC000048491019 1291607770 /nfs/dbraw/zinc/60/77/70/1291607770.db2.gz WRBMJAZZTAPQLJ-UHFFFAOYSA-N -1 0 334.397 3.059 20 30 EGEDRM O=C(CCSc1ccccc1F)[N-]S(=O)(=O)c1cccnc1 ZINC000048532303 1291609785 /nfs/dbraw/zinc/60/97/85/1291609785.db2.gz IGZSVMGFDUFIMG-UHFFFAOYSA-N -1 0 340.401 3.048 20 30 EGEDRM Cc1noc(C)c1C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000048593425 1291612347 /nfs/dbraw/zinc/61/23/47/1291612347.db2.gz IVYGQNAUBOEJPW-UHFFFAOYSA-N -1 0 349.195 3.292 20 30 EGEDRM CSCc1ccc(C(=O)[N-]S(=O)(=O)c2ccccc2F)cc1 ZINC000048587824 1291612631 /nfs/dbraw/zinc/61/26/31/1291612631.db2.gz KIXCYCNELTWCPU-UHFFFAOYSA-N -1 0 339.413 3.382 20 30 EGEDRM CCC(=O)Nc1cccc(C(=O)[N-]S(=O)(=O)C2CCCCC2)c1 ZINC000058077726 1291878573 /nfs/dbraw/zinc/87/85/73/1291878573.db2.gz YNTCZLQZNDZLSN-UHFFFAOYSA-N -1 0 338.429 3.002 20 30 EGEDRM Cc1ccc(C(=O)[N-]S(=O)(=O)Cc2ccc(Cl)nc2)cc1C ZINC000058151244 1291880664 /nfs/dbraw/zinc/88/06/64/1291880664.db2.gz HYWXGEFTWVNFMO-UHFFFAOYSA-N -1 0 338.816 3.186 20 30 EGEDRM O=C(COCCc1ccccc1)[N-]S(=O)(=O)C=Cc1ccccc1 ZINC000060766070 1291940542 /nfs/dbraw/zinc/94/05/42/1291940542.db2.gz HIZBUWURXBZIES-WYMLVPIESA-N -1 0 345.420 3.203 20 30 EGEDRM C[C@@H](OCC1CC1)C(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000064665350 1292062837 /nfs/dbraw/zinc/06/28/37/1292062837.db2.gz FKYGPUMRAPDBNS-GFCCVEGCSA-N -1 0 333.409 3.300 20 30 EGEDRM CCCCS(=O)(=O)[N-]C(=O)Cc1c[nH]c2cc(Cl)ccc12 ZINC000070030938 1292255139 /nfs/dbraw/zinc/25/51/39/1292255139.db2.gz XJJRIQRUCBXVSB-UHFFFAOYSA-N -1 0 328.821 3.450 20 30 EGEDRM CCCCCCCS(=O)(=O)[N-]c1ncn(-c2ccc(F)cc2)n1 ZINC000830087203 1292662021 /nfs/dbraw/zinc/66/20/21/1292662021.db2.gz BKEPYXGLEUOTPB-UHFFFAOYSA-N -1 0 340.424 3.119 20 30 EGEDRM Cc1cc(Br)ccc1C(=O)[N-]S(=O)(=O)C1CCCC1 ZINC000086055341 1292727284 /nfs/dbraw/zinc/72/72/84/1292727284.db2.gz CNQZNJLFLAJHQS-UHFFFAOYSA-N -1 0 346.246 3.335 20 30 EGEDRM C[C@H](Oc1ccccc1Cl)C(=O)[N-]S(=O)(=O)C1CCCC1 ZINC000086055339 1292727537 /nfs/dbraw/zinc/72/75/37/1292727537.db2.gz WTDJBUQRHXHYKP-JTQLQIEISA-N -1 0 331.821 3.336 20 30 EGEDRM O=C([N-]S(=O)(=O)C1CCCC1)c1cccc(Br)c1 ZINC000086054374 1292727733 /nfs/dbraw/zinc/72/77/33/1292727733.db2.gz YFRIEYMLXMJXPS-UHFFFAOYSA-N -1 0 332.219 3.026 20 30 EGEDRM O=C(CCCOCc1ccccc1)[N-]S(=O)(=O)C1CCCC1 ZINC000086054260 1292727851 /nfs/dbraw/zinc/72/78/51/1292727851.db2.gz DVQCQZSXEHVEMF-UHFFFAOYSA-N -1 0 325.430 3.212 20 30 EGEDRM CC[C@H](Oc1ccccc1C)C(=O)[N-]S(=O)(=O)C1CCCC1 ZINC000086056055 1292728587 /nfs/dbraw/zinc/72/85/87/1292728587.db2.gz HWQDCJVUFFLNST-AWEZNQCLSA-N -1 0 325.430 3.381 20 30 EGEDRM C[C@H](Oc1cccc(Cl)c1)C(=O)[N-]S(=O)(=O)C1CCCC1 ZINC000086056468 1292728889 /nfs/dbraw/zinc/72/88/89/1292728889.db2.gz UCJXLLCVCHGZEJ-JTQLQIEISA-N -1 0 331.821 3.336 20 30 EGEDRM O=C([N-]S(=O)(=O)c1cccnc1)c1cccc(-c2ccoc2)c1 ZINC000089964199 1292781172 /nfs/dbraw/zinc/78/11/72/1292781172.db2.gz ZBRKHTKPYOEZAA-UHFFFAOYSA-N -1 0 328.349 3.035 20 30 EGEDRM O=C([O-])c1ccc(C(=O)/C=C\c2ccc(N3CCOCC3)cc2)s1 ZINC000096920050 1292955462 /nfs/dbraw/zinc/95/54/62/1292955462.db2.gz XUNPYHCHXNXUNU-UTCJRWHESA-N -1 0 343.404 3.179 20 30 EGEDRM C#CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000108250365 1293079102 /nfs/dbraw/zinc/07/91/02/1293079102.db2.gz BIZRLUYPEKQKTD-UHFFFAOYSA-N -1 0 327.814 3.214 20 30 EGEDRM CCCCCCCCC(=O)[N-]S(=O)(=O)c1nc(Cl)cs1 ZINC000835764466 1293367780 /nfs/dbraw/zinc/36/77/80/1293367780.db2.gz AFOWJJDRRGPNHV-UHFFFAOYSA-N -1 0 338.882 3.352 20 30 EGEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)CCc1ccc2ccccc2c1 ZINC000122662392 1293421064 /nfs/dbraw/zinc/42/10/64/1293421064.db2.gz FYVSWVBPZGLZTE-QGZVFWFLSA-N -1 0 331.375 3.098 20 30 EGEDRM C[C@@H](C(=O)C(C#N)=C([O-])c1nccn1C)c1ccc2ccccc2c1 ZINC000123129849 1293434526 /nfs/dbraw/zinc/43/45/26/1293434526.db2.gz JYEHMGYFZIWOTE-DYVFJYSZSA-N -1 0 331.375 3.269 20 30 EGEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1cc(Cl)cc(C(F)(F)F)c1 ZINC000123801020 1293455191 /nfs/dbraw/zinc/45/51/91/1293455191.db2.gz PRVAMNZTHSRSBJ-LBPRGKRZSA-N -1 0 344.720 3.304 20 30 EGEDRM COc1ccc(C([O-])=C(C#N)C(=O)N2CCCC2)cc1-c1ccccc1 ZINC000127635450 1293569268 /nfs/dbraw/zinc/56/92/68/1293569268.db2.gz FHHKHBUIRLOQGG-GOSISDBHSA-N -1 0 348.402 3.307 20 30 EGEDRM Cc1c2ccc3ccccc3c2oc1C([O-])=C(C#N)C(=O)NC1CC1 ZINC000129144621 1293615017 /nfs/dbraw/zinc/61/50/17/1293615017.db2.gz IYWVGBWJCKFERR-INIZCTEOSA-N -1 0 332.359 3.496 20 30 EGEDRM CC(C)NC(=O)C(C#N)=C([O-])c1ccc(-c2ccc(F)cc2)s1 ZINC000130681805 1293664803 /nfs/dbraw/zinc/66/48/03/1293664803.db2.gz CPMZXLCNEMEVRE-ZDUSSCGKSA-N -1 0 330.384 3.401 20 30 EGEDRM C=C[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc(C)c(C)c1)c1ccccc1 ZINC000136007189 1293807463 /nfs/dbraw/zinc/80/74/63/1293807463.db2.gz IUSAUMXTOLXKNF-INIZCTEOSA-N -1 0 343.448 3.468 20 30 EGEDRM COc1ccc(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)c([O-])c1 ZINC000156612105 1294151212 /nfs/dbraw/zinc/15/12/12/1294151212.db2.gz LLIONORHWFGIMV-RUDMXATFSA-N -1 0 339.391 3.134 20 30 EGEDRM COc1ccc2c(c1)C(=O)/C(=C\c1cc([O-])ccc1[N+](=O)[O-])CCO2 ZINC000157325326 1294174570 /nfs/dbraw/zinc/17/45/70/1294174570.db2.gz LEEFVABXJGLGJF-FLIBITNWSA-N -1 0 341.319 3.358 20 30 EGEDRM N#CCCN(Cc1cccnc1)Cc1cccc(Br)c1[O-] ZINC000159054157 1294224383 /nfs/dbraw/zinc/22/43/83/1294224383.db2.gz AEYNWIGRTNNHNA-UHFFFAOYSA-N -1 0 346.228 3.466 20 30 EGEDRM C=CC[C@H](NC(=O)Nc1ccc(Br)cc1Cl)C(=O)[O-] ZINC000161646817 1294297152 /nfs/dbraw/zinc/29/71/52/1294297152.db2.gz SKGBYMVCULSEQB-JTQLQIEISA-N -1 0 347.596 3.253 20 30 EGEDRM C=CC[C@H](NC(=O)Nc1ccc(Cl)c(Br)c1)C(=O)[O-] ZINC000161994389 1294304421 /nfs/dbraw/zinc/30/44/21/1294304421.db2.gz PJPIDBXBPOUBMW-JTQLQIEISA-N -1 0 347.596 3.253 20 30 EGEDRM N#CC(C(=O)NC1CC1)=C([O-])c1csc(-c2ccccc2Cl)n1 ZINC000171366007 1294404226 /nfs/dbraw/zinc/40/42/26/1294404226.db2.gz ZFEIJYJQKIIYRL-LLVKDONJSA-N -1 0 345.811 3.065 20 30 EGEDRM CC(C)(C)Oc1ccc(C([O-])=C(C#N)C(=O)NC2CCCC2)cc1 ZINC000176022070 1294584824 /nfs/dbraw/zinc/58/48/24/1294584824.db2.gz PFLMSQIKIJKYGL-MRXNPFEDSA-N -1 0 328.412 3.245 20 30 EGEDRM CCc1nn(C)c(Cl)c1C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000179489549 1294798233 /nfs/dbraw/zinc/79/82/33/1294798233.db2.gz RVXWOXXAQDKNCY-VIFPVBQESA-N -1 0 328.759 3.267 20 30 EGEDRM CC(C)Cn1ncc(C(=O)Nc2cc(C#N)ccc2[O-])c1C(F)F ZINC000179743391 1294822489 /nfs/dbraw/zinc/82/24/89/1294822489.db2.gz KBOGJWSAFBGCCJ-UHFFFAOYSA-N -1 0 334.326 3.306 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2O[C@H](C)C#N)c(C)c1 ZINC000183127363 1295101077 /nfs/dbraw/zinc/10/10/77/1295101077.db2.gz RKEMNAZGUGLFMI-CQSZACIVSA-N -1 0 330.409 3.395 20 30 EGEDRM CCn1ncc(C(=O)C(C#N)=C([O-])c2c(C)[nH]c3ccccc32)c1C ZINC000870122942 1295677727 /nfs/dbraw/zinc/67/77/27/1295677727.db2.gz LHMPMKUKDCMYBS-AWEZNQCLSA-N -1 0 334.379 3.207 20 30 EGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)c1ncc2n1CCCC2 ZINC000870124493 1295680263 /nfs/dbraw/zinc/68/02/63/1295680263.db2.gz XSFCAQIVQBYGOT-OAHLLOKOSA-N -1 0 346.390 3.215 20 30 EGEDRM CCCc1ccc(C([O-])=C(C#N)C(=O)NCc2ccccc2)s1 ZINC000870135695 1295694383 /nfs/dbraw/zinc/69/43/83/1295694383.db2.gz BQCCGEBQHHIQCE-HNNXBMFYSA-N -1 0 326.421 3.339 20 30 EGEDRM Cc1c(Cl)cccc1C([O-])=C(C#N)C(=O)NCc1ccccc1 ZINC000193812738 1295915390 /nfs/dbraw/zinc/91/53/90/1295915390.db2.gz FVLXBTJSNHDCHE-HNNXBMFYSA-N -1 0 326.783 3.287 20 30 EGEDRM Cc1c(Cl)cccc1C([O-])=C(C#N)C(=O)NCc1ccccc1 ZINC000193812725 1295916311 /nfs/dbraw/zinc/91/63/11/1295916311.db2.gz FVLXBTJSNHDCHE-OAHLLOKOSA-N -1 0 326.783 3.287 20 30 EGEDRM O=C(/C=C\c1ccc(N2CCOCC2)cc1)c1ccc([O-])c(F)c1 ZINC000255548357 1296543996 /nfs/dbraw/zinc/54/39/96/1296543996.db2.gz LUALQFJPTPCXTN-CLTKARDFSA-N -1 0 327.355 3.264 20 30 EGEDRM COc1cc(/C=C\C(=O)c2cc(F)ccc2[O-])ccc1OCC#N ZINC000255582496 1296550744 /nfs/dbraw/zinc/55/07/44/1296550744.db2.gz SYJVQLNHQJGCRW-DJWKRKHSSA-N -1 0 327.311 3.338 20 30 EGEDRM C=CCC[C@H](NC(=O)c1cc(C)c(Br)cc1C)C(=O)[O-] ZINC000262868250 1296650420 /nfs/dbraw/zinc/65/04/20/1296650420.db2.gz JIUTZGCLAKKTFT-ZDUSSCGKSA-N -1 0 340.217 3.215 20 30 EGEDRM C=CCC[C@H](NC(=O)c1ccc(CCC(F)(F)F)cc1)C(=O)[O-] ZINC000262976369 1296654279 /nfs/dbraw/zinc/65/42/79/1296654279.db2.gz TXEIHSFPKAUBQN-ZDUSSCGKSA-N -1 0 329.318 3.331 20 30 EGEDRM CC(=NNC[C@@H]1CCCC1(F)F)c1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000872407551 1296940541 /nfs/dbraw/zinc/94/05/41/1296940541.db2.gz WSEAMLUHFFHBFU-OCCSQVGLSA-N -1 0 340.370 3.288 20 30 EGEDRM C#CC[C@H](NC(=O)[C@@](C)(CC(=O)[O-])c1ccsc1)c1ccccc1 ZINC000872851561 1297140213 /nfs/dbraw/zinc/14/02/13/1297140213.db2.gz CQROHXYPGDLEFA-LPHOPBHVSA-N -1 0 341.432 3.361 20 30 EGEDRM C/C(=C/c1c(Cl)cccc1Cl)C(=O)N=c1[n-]n(C)cc1C#N ZINC000588472225 1298068754 /nfs/dbraw/zinc/06/87/54/1298068754.db2.gz QPMHBQSYKDFKEI-TWGQIWQCSA-N -1 0 335.194 3.062 20 30 EGEDRM Cc1c(C(=O)/C=C\c2ccc([O-])c([N+](=O)[O-])c2)cnn1C(C)(C)C ZINC000588559267 1298084670 /nfs/dbraw/zinc/08/46/70/1298084670.db2.gz PFFWWMKTSJTWTL-ALCCZGGFSA-N -1 0 329.356 3.456 20 30 EGEDRM CC(C)c1cc(C(=O)[N-]c2cc(C#N)cc([N+](=O)[O-])c2Cl)on1 ZINC000746481661 1298594344 /nfs/dbraw/zinc/59/43/44/1298594344.db2.gz LGDNGPKISGCNRA-UHFFFAOYSA-N -1 0 334.719 3.484 20 30 EGEDRM CCCCCCOc1cccc(C=Nn2c(=O)c(C)n[n-]c2=S)c1 ZINC000747042373 1298714350 /nfs/dbraw/zinc/71/43/50/1298714350.db2.gz RWMCSXCDKXJGIZ-UHFFFAOYSA-N -1 0 346.456 3.077 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cc(-c2ccccc2)ns1 ZINC000747204727 1298742048 /nfs/dbraw/zinc/74/20/48/1298742048.db2.gz KQYJLLNEWDQJIR-AWEZNQCLSA-N -1 0 341.436 3.439 20 30 EGEDRM Cc1nn(C)c2ncc(C=NNc3ccc(Cl)c(C(=O)[O-])c3)cc12 ZINC000747601964 1298809003 /nfs/dbraw/zinc/80/90/03/1298809003.db2.gz GRLREFYTFNMXBN-UHFFFAOYSA-N -1 0 343.774 3.074 20 30 EGEDRM O=[N+]([O-])c1ccc(CN=Nc2ncccc2C(F)(F)F)cc1[O-] ZINC000748134466 1298933008 /nfs/dbraw/zinc/93/30/08/1298933008.db2.gz YAXKBWNSLFOKGF-UHFFFAOYSA-N -1 0 326.234 3.160 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)c2csc(Nc3ccccn3)n2)c1 ZINC000748411239 1299004802 /nfs/dbraw/zinc/00/48/02/1299004802.db2.gz ZFGGJYRWFQEOCF-UHFFFAOYSA-N -1 0 337.364 3.111 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)c2ccc(N3CCCCCC3)nc2)c1 ZINC000748411741 1299005000 /nfs/dbraw/zinc/00/50/00/1299005000.db2.gz YBSYBJHVOHJQEG-UHFFFAOYSA-N -1 0 336.395 3.292 20 30 EGEDRM CCOc1c(OC)cc(C=NNc2ccc(C(=O)[O-])cc2)cc1OC ZINC000750912208 1299476205 /nfs/dbraw/zinc/47/62/05/1299476205.db2.gz UUUJJSIQKWQJND-UHFFFAOYSA-N -1 0 344.367 3.247 20 30 EGEDRM CCc1cccc2c1NC(=O)C2=N[N-]c1nc(C(F)(F)F)cs1 ZINC000755902294 1300411845 /nfs/dbraw/zinc/41/18/45/1300411845.db2.gz CIFFDNDXCAHQRQ-UHFFFAOYSA-N -1 0 340.330 3.493 20 30 EGEDRM Cc1ccc2c(c1)C(=N[N-]c1nc(C(F)(F)F)cs1)C(=O)N2 ZINC000755904953 1300413615 /nfs/dbraw/zinc/41/36/15/1300413615.db2.gz QMYBRSHLEVDHIA-UHFFFAOYSA-N -1 0 326.303 3.239 20 30 EGEDRM N#C[C@@H]([N-]C(=O)C(F)(F)c1nccs1)c1ccc(Cl)cc1 ZINC000756747268 1300560109 /nfs/dbraw/zinc/56/01/09/1300560109.db2.gz LVZAZYKYGBWHNL-SNVBAGLBSA-N -1 0 327.743 3.269 20 30 EGEDRM C[C@H](C=Nn1c(=O)c2ccccc2[n-]c1=S)c1ccc(F)cc1 ZINC000756881741 1300584207 /nfs/dbraw/zinc/58/42/07/1300584207.db2.gz RPZUMUZPKMHEGG-LLVKDONJSA-N -1 0 327.384 3.462 20 30 EGEDRM O=C(/C=C\c1ccc(-n2cncn2)c(F)c1)c1ccc(F)cc1[O-] ZINC000757476297 1300676327 /nfs/dbraw/zinc/67/63/27/1300676327.db2.gz PLJKERXDPFQKPP-KXFIGUGUSA-N -1 0 327.290 3.147 20 30 EGEDRM Fc1ccc(C=CC=Nn2c(=S)[n-]nc2C(F)(F)F)c(F)c1 ZINC000758080833 1300780850 /nfs/dbraw/zinc/78/08/50/1300780850.db2.gz XYTMRODUWUVPCT-KKAYSIFJSA-N -1 0 334.273 3.411 20 30 EGEDRM CC(=NNc1cccc([N+](=O)[O-])c1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000758120643 1300790465 /nfs/dbraw/zinc/79/04/65/1300790465.db2.gz OXBODGWMIRNUCH-UHFFFAOYSA-N -1 0 330.300 3.353 20 30 EGEDRM [O-]c1c(Br)cc(C=NNC2CC2)cc1Br ZINC000758132289 1300792316 /nfs/dbraw/zinc/79/23/16/1300792316.db2.gz DINZUWYNGUZYJC-UHFFFAOYSA-N -1 0 334.011 3.003 20 30 EGEDRM COc1cc(/C=C2\Oc3ccccc3C2=O)ccc1OCCC(=O)[O-] ZINC000763372434 1301887221 /nfs/dbraw/zinc/88/72/21/1301887221.db2.gz CHPLEGUGMHGGAW-BOPFTXTBSA-N -1 0 340.331 3.165 20 30 EGEDRM O=C([O-])c1ccoc1COc1ccc(C=NOCC(F)(F)F)cc1 ZINC000764845884 1302149281 /nfs/dbraw/zinc/14/92/81/1302149281.db2.gz BBCPVVZZMKYFAO-UHFFFAOYSA-N -1 0 343.257 3.470 20 30 EGEDRM N#Cc1cnc([N-]S(=O)(=O)/C=C\c2cccc(Cl)c2)s1 ZINC000768862733 1303000259 /nfs/dbraw/zinc/00/02/59/1303000259.db2.gz YDPGIXFFKHRRLZ-PLNGDYQASA-N -1 0 325.802 3.081 20 30 EGEDRM C[C@@H](Oc1cccc(C(=O)/C=C\c2ccc(C#N)cc2F)c1)C(=O)[O-] ZINC000772805443 1303579298 /nfs/dbraw/zinc/57/92/98/1303579298.db2.gz HBSVQUQKLTUNNH-QDZRJHCZSA-N -1 0 339.322 3.445 20 30 EGEDRM CC(=NNc1ncnc2sc(C)c(C)c21)c1ccc(C(=O)[O-])o1 ZINC000773005633 1303605928 /nfs/dbraw/zinc/60/59/28/1303605928.db2.gz LVMHDMIGNQDLJZ-UHFFFAOYSA-N -1 0 330.369 3.435 20 30 EGEDRM Cn1c(C/N=C/c2cc([N+](=O)[O-])ccc2[O-])nc2cccc(Cl)c21 ZINC000773905853 1303752415 /nfs/dbraw/zinc/75/24/15/1303752415.db2.gz KBYASXMDOPIMEA-QGMBQPNBSA-N -1 0 344.758 3.460 20 30 EGEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1nc(C)c(C)s1)c1ccccc1 ZINC000774259983 1303791810 /nfs/dbraw/zinc/79/18/10/1303791810.db2.gz LVHXPFSGOQRJIR-GJZGRUSLSA-N -1 0 341.436 3.350 20 30 EGEDRM C[C@@H]1CCN(Cc2ccccc2)CC1=NNc1cnnc([O-])c1Cl ZINC000776186075 1304108183 /nfs/dbraw/zinc/10/81/83/1304108183.db2.gz QESMPHPABALSDC-GFCCVEGCSA-N -1 0 345.834 3.146 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)C(=O)NC2CCCC2)nn1C1CCCCC1 ZINC000776511115 1304167072 /nfs/dbraw/zinc/16/70/72/1304167072.db2.gz IKZULYXDGNKNHN-MRXNPFEDSA-N -1 0 342.443 3.078 20 30 EGEDRM N#Cc1ccc(C(=O)/C=C\c2cccc(OCCC(=O)[O-])c2)cc1F ZINC000776726811 1304188117 /nfs/dbraw/zinc/18/81/17/1304188117.db2.gz NZVYPJQIDGTGIL-DAXSKMNVSA-N -1 0 339.322 3.447 20 30 EGEDRM CC(C)(C)Oc1ccc(C/N=C/c2cc([N+](=O)[O-])ccc2[O-])cn1 ZINC000778517872 1304458368 /nfs/dbraw/zinc/45/83/68/1304458368.db2.gz MMUFDQRTRKCDGS-WOJGMQOQSA-N -1 0 329.356 3.492 20 30 EGEDRM C=CC[C@H](C(=O)[N-]S(=O)(=O)c1ccc(C)s1)c1ccccc1 ZINC000778598622 1304472216 /nfs/dbraw/zinc/47/22/16/1304472216.db2.gz BJSFZADVHWSQDQ-AWEZNQCLSA-N -1 0 335.450 3.221 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)C2C[C@@H](C)C[C@H](C)C2)n1 ZINC000780232245 1304659548 /nfs/dbraw/zinc/65/95/48/1304659548.db2.gz KOTJXFXUQHWLTK-COPLHBTASA-N -1 0 334.441 3.243 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(C(=O)CC)cc1 ZINC000783347523 1305082748 /nfs/dbraw/zinc/08/27/48/1305082748.db2.gz NRQTYCKBASNUIB-MRXNPFEDSA-N -1 0 328.412 3.298 20 30 EGEDRM Cn1ncc2c1nc(N=NC1CCC3(CCCCC3)CC1)[n-]c2=O ZINC000786040134 1305498898 /nfs/dbraw/zinc/49/88/98/1305498898.db2.gz LALLQPFKNMYBOS-UHFFFAOYSA-N -1 0 328.420 3.361 20 30 EGEDRM C=CC(C)(C)CC(=O)[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000892853407 1305578718 /nfs/dbraw/zinc/57/87/18/1305578718.db2.gz KAKSBRHIKAVGJZ-UHFFFAOYSA-N -1 0 333.812 3.195 20 30 EGEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2ccc(Cl)s2)c1 ZINC000786549810 1305595485 /nfs/dbraw/zinc/59/54/85/1305595485.db2.gz LGHWAINTSVYZGZ-LBPRGKRZSA-N -1 0 332.812 3.349 20 30 EGEDRM CCCc1ncc(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)s1 ZINC000786553349 1305596464 /nfs/dbraw/zinc/59/64/64/1305596464.db2.gz UFJGYOZLWGTTRD-CQSZACIVSA-N -1 0 341.436 3.043 20 30 EGEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2cc3c(s2)CCC3)c1 ZINC000786550718 1305596610 /nfs/dbraw/zinc/59/66/10/1305596610.db2.gz QYVOGHOBYILEIV-HNNXBMFYSA-N -1 0 338.432 3.184 20 30 EGEDRM Cc1nnc(NN=Cc2cnc(-c3ccc(Cl)cc3)s2)[n-]c1=O ZINC000788966255 1306052716 /nfs/dbraw/zinc/05/27/16/1306052716.db2.gz KLWLOHKMGUAGJI-UHFFFAOYSA-N -1 0 346.803 3.109 20 30 EGEDRM N#Cc1cc(Cl)nc(N=NC2CC[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC000789035211 1306071943 /nfs/dbraw/zinc/07/19/43/1306071943.db2.gz YVITYJVMCNMZJQ-CYBMUJFWSA-N -1 0 340.770 3.385 20 30 EGEDRM CC(=NN[C@H]1CCSC1)c1cc(Br)c(F)cc1[O-] ZINC000807999999 1317610290 /nfs/dbraw/zinc/61/02/90/1317610290.db2.gz DSDBUAGOPNUDFC-QMMMGPOBSA-N -1 0 333.226 3.113 20 30 EGEDRM C=CCC1(C(=O)[N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)CCC1 ZINC000791827393 1309072576 /nfs/dbraw/zinc/07/25/76/1309072576.db2.gz OVRSODXFDYDQDG-UHFFFAOYSA-N -1 0 345.823 3.339 20 30 EGEDRM CCC(=NN[C@H](CC)C(=O)[O-])c1cc(F)cc(Br)c1 ZINC000793079361 1309291602 /nfs/dbraw/zinc/29/16/02/1309291602.db2.gz ROTVTFNWHAIFCE-GFCCVEGCSA-N -1 0 331.185 3.155 20 30 EGEDRM CC(C)OC(=O)CC[C@@H](C)/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000794832420 1309603366 /nfs/dbraw/zinc/60/33/66/1309603366.db2.gz IOYYMTXCSRPXIF-VLWLMIQISA-N -1 0 342.779 3.493 20 30 EGEDRM N#Cc1ccc(O)c([N-]S(=O)(=O)c2csc3ccccc32)c1 ZINC000795325466 1309724961 /nfs/dbraw/zinc/72/49/61/1309724961.db2.gz AUGQHKDNGJVPIX-UHFFFAOYSA-N -1 0 330.390 3.279 20 30 EGEDRM N#CC(C(=O)Nc1ccccn1)=C([O-])c1ccc(C(F)(F)F)s1 ZINC000796821582 1310094955 /nfs/dbraw/zinc/09/49/55/1310094955.db2.gz ZJDFEVQNKLBIBL-MRVPVSSYSA-N -1 0 339.298 3.123 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)Nc1ccc2c(ccn2CC(C)C)c1 ZINC000797740419 1310240083 /nfs/dbraw/zinc/24/00/83/1310240083.db2.gz NGXKPHDDDMYFQB-UHFFFAOYSA-N -1 0 329.400 3.402 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)Nc1cccc(C(=O)c2ccccc2)c1 ZINC000797736965 1310240375 /nfs/dbraw/zinc/24/03/75/1310240375.db2.gz LPRYCOCZCOJYRM-UHFFFAOYSA-N -1 0 338.363 3.022 20 30 EGEDRM CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2ccoc2CC)C1=O ZINC000797761670 1310242939 /nfs/dbraw/zinc/24/29/39/1310242939.db2.gz NSYYCYFVNSUXQR-SFHVURJKSA-N -1 0 349.431 3.158 20 30 EGEDRM CCn1cc(/C=C\C(=O)c2ccc(OCCCC(=O)[O-])cc2)c(C)n1 ZINC000899338867 1316995698 /nfs/dbraw/zinc/99/56/98/1316995698.db2.gz RVZYBFWXICLJCV-FLIBITNWSA-N -1 0 342.395 3.351 20 30 EGEDRM Cc1oc(C(C)C)nc1C([O-])=C(C#N)C(=O)NCc1cccc(C)c1 ZINC000802797027 1317042587 /nfs/dbraw/zinc/04/25/87/1317042587.db2.gz NAMUXFCNYCQVNL-OAHLLOKOSA-N -1 0 339.395 3.054 20 30 EGEDRM CCCSCC(C)=NNc1nc(=O)c2cnn(C(C)(C)C)c2[nH]1 ZINC000901188447 1317391580 /nfs/dbraw/zinc/39/15/80/1317391580.db2.gz LOWFSEQMEDBDNR-UHFFFAOYSA-N -1 0 336.465 3.218 20 30 EGEDRM Cc1nc2c(cccc2C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)o1 ZINC000805925864 1317440531 /nfs/dbraw/zinc/44/05/31/1317440531.db2.gz HRSZCTQRFINFTK-MRXNPFEDSA-N -1 0 347.374 3.084 20 30 EGEDRM N#Cc1ccc(CC(=O)NCc2cc(Cl)cc(Cl)c2[O-])cc1 ZINC000807837779 1317590341 /nfs/dbraw/zinc/59/03/41/1317590341.db2.gz CCBVRXSFDCQADZ-UHFFFAOYSA-N -1 0 335.190 3.430 20 30 EGEDRM O=C([O-])c1cc(/C=C2\COc3c(F)cc(F)cc3C2=O)ccc1O ZINC000809155235 1317776021 /nfs/dbraw/zinc/77/60/21/1317776021.db2.gz RQZQQSSCNHOYHM-YCRREMRBSA-N -1 0 332.258 3.027 20 30 EGEDRM O=C([O-])c1cc(/C=C\C(=O)c2ccnn2-c2ccccc2)ccc1O ZINC000809156792 1317776813 /nfs/dbraw/zinc/77/68/13/1317776813.db2.gz KHMRWGJYCXWOCD-CLFYSBASSA-N -1 0 334.331 3.172 20 30 EGEDRM COc1ccc(C)cc1S(=O)(=O)[N-]c1sc2c(c1C#N)CCC2 ZINC000906074228 1318034839 /nfs/dbraw/zinc/03/48/39/1318034839.db2.gz SIMCGVQJJXEWNN-UHFFFAOYSA-N -1 0 348.449 3.226 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@H](C)Cc2ccccc2Cl)CC1 ZINC000810981014 1318085409 /nfs/dbraw/zinc/08/54/09/1318085409.db2.gz JVMNLKCJJNDUCX-GFCCVEGCSA-N -1 0 341.860 3.073 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H](CC(C)C)c2ccccc2)CC1 ZINC000810985999 1318086516 /nfs/dbraw/zinc/08/65/16/1318086516.db2.gz WJQOTHMTZNSHEZ-INIZCTEOSA-N -1 0 335.469 3.371 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000810983684 1318086901 /nfs/dbraw/zinc/08/69/01/1318086901.db2.gz XJQALULIJGONBG-UHFFFAOYSA-N -1 0 334.224 3.162 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H](CC)C2CCC(C)CC2)CC1 ZINC000810983476 1318087210 /nfs/dbraw/zinc/08/72/10/1318087210.db2.gz BQSZXPJSSHACNB-NRXISQOPSA-N -1 0 327.490 3.394 20 30 EGEDRM COc1cc(/C=C2\Cc3ccc(C#N)cc3C2=O)cc([N+](=O)[O-])c1[O-] ZINC000811695277 1318227975 /nfs/dbraw/zinc/22/79/75/1318227975.db2.gz BXTVVNLOWMPQOA-YIXHJXPBSA-N -1 0 336.303 3.003 20 30 EGEDRM COc1ccc(C(=O)/C=C/c2cccc(O[C@@H](C)C(=O)[O-])c2)cc1O ZINC000811696827 1318230082 /nfs/dbraw/zinc/23/00/82/1318230082.db2.gz AHRMTUGIBCCESP-WMADIVHISA-N -1 0 342.347 3.149 20 30 EGEDRM COc1cc2c(cc1C=NNc1ccccc1C(=O)[O-])O[C@H](C)C2 ZINC000812444575 1318394549 /nfs/dbraw/zinc/39/45/49/1318394549.db2.gz CDRWXRZCPSRTMQ-LLVKDONJSA-N -1 0 326.352 3.163 20 30 EGEDRM C=CCC[C@H](NC(=O)NC[C@@H]1CCC[C@@H](C(F)(F)F)C1)C(=O)[O-] ZINC000909004980 1318425902 /nfs/dbraw/zinc/42/59/02/1318425902.db2.gz RDKLQSCZWKWTMQ-UTUOFQBUSA-N -1 0 336.354 3.074 20 30 EGEDRM N#CCc1ccc(C(=O)N2CCC[C@@]2(Cc2ccccc2)C(=O)[O-])cc1 ZINC000910102523 1318566568 /nfs/dbraw/zinc/56/65/68/1318566568.db2.gz OGQCGMYNYGMFAJ-OAQYLSRUSA-N -1 0 348.402 3.055 20 30 EGEDRM CC(N=Nc1ccccc1[N+](=O)[O-])c1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000814685682 1318799378 /nfs/dbraw/zinc/79/93/78/1318799378.db2.gz LVRQYWRSIJSJMF-LBPRGKRZSA-N -1 0 343.339 3.283 20 30 EGEDRM C[C@H]1CC(N=Nc2ncnc3sc4c(c32)CCC4)CC[C@H]1C(=O)[O-] ZINC000814725788 1318805213 /nfs/dbraw/zinc/80/52/13/1318805213.db2.gz CLIZFHJMPDWRKL-GXSJLCMTSA-N -1 0 344.440 3.469 20 30 EGEDRM CC(CC1(C(=O)[O-])CCC1)=NNC(=S)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000814757138 1318810441 /nfs/dbraw/zinc/81/04/41/1318810441.db2.gz ORXAVFGMDZKRIY-KWCYVHTRSA-N -1 0 339.505 3.296 20 30 EGEDRM CC(CC1(C(=O)[O-])CCC1)=NNC(=S)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000814757139 1318810966 /nfs/dbraw/zinc/81/09/66/1318810966.db2.gz ORXAVFGMDZKRIY-MRVWCRGKSA-N -1 0 339.505 3.296 20 30 EGEDRM Cc1ccc(F)c(NC(=S)NN=C2CC[C@@H](C(=O)[O-])C[C@H]2C)c1 ZINC000814820336 1318824041 /nfs/dbraw/zinc/82/40/41/1318824041.db2.gz YYNBFNRJJDTTFI-GHMZBOCLSA-N -1 0 337.420 3.297 20 30 EGEDRM CC(=NN=C1CC(C(=O)[O-])(c2cccc(Cl)c2)C1)c1cnccn1 ZINC000814861864 1318832562 /nfs/dbraw/zinc/83/25/62/1318832562.db2.gz YPYHXRYOXONADX-UHFFFAOYSA-N -1 0 342.786 3.111 20 30 EGEDRM CCC(N=Nc1nccn1C)c1ccc(OCCCCC(=O)[O-])cc1 ZINC000814918283 1318847381 /nfs/dbraw/zinc/84/73/81/1318847381.db2.gz JWOQVJPQBRJLCH-UHFFFAOYSA-N -1 0 344.415 3.280 20 30 EGEDRM O=C([O-])CNN=Cc1ccc(-c2ccccc2Br)cc1 ZINC000814958645 1318860048 /nfs/dbraw/zinc/86/00/48/1318860048.db2.gz IOWQVWWQAVYLEC-UHFFFAOYSA-N -1 0 333.185 3.124 20 30 EGEDRM CCCCCCCC(=O)N[C@@H](Cc1ccccc1)c1n[nH]c(=O)[n-]1 ZINC000913558435 1319059446 /nfs/dbraw/zinc/05/94/46/1319059446.db2.gz OLSADQQMKGEZGH-HNNXBMFYSA-N -1 0 330.432 3.271 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(OC(F)F)c(F)c1 ZINC000815904432 1319069658 /nfs/dbraw/zinc/06/96/58/1319069658.db2.gz FUZAFLHVGAKDPC-NSHDSACASA-N -1 0 342.317 3.056 20 30 EGEDRM Cc1ccc2snc(C([O-])=C(C#N)C(=O)NC3CCCCC3)c2c1 ZINC000815907036 1319071703 /nfs/dbraw/zinc/07/17/03/1319071703.db2.gz PYONAJRYMFASOK-AWEZNQCLSA-N -1 0 341.436 3.376 20 30 EGEDRM COCCOc1cc(N=Cc2cc([N+](=O)[O-])ccc2[O-])ccc1OC ZINC000914773692 1319375787 /nfs/dbraw/zinc/37/57/87/1319375787.db2.gz RENOAMZNKBZXGJ-UHFFFAOYSA-N -1 0 346.339 3.085 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cc([N+](=O)[O-])c(C)cc1C ZINC000817714599 1319427959 /nfs/dbraw/zinc/42/79/59/1319427959.db2.gz VAVTWIXSQZBYRZ-OAHLLOKOSA-N -1 0 345.399 3.231 20 30 EGEDRM Cc1cc([O-])cc2c1C(=O)C(=NN=c1[nH]c3ccccc3s1)O2 ZINC000915933427 1319565448 /nfs/dbraw/zinc/56/54/48/1319565448.db2.gz AAFWSAMQTIOMDA-UHFFFAOYSA-N -1 0 325.349 3.311 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1oc2ccccc2c1COC ZINC000916877065 1319719239 /nfs/dbraw/zinc/71/92/39/1319719239.db2.gz NWLKTYGBLJYPEX-CQSZACIVSA-N -1 0 342.395 3.208 20 30 EGEDRM CCCCCN1c2ccccc2C(=N[N-]c2oc(C)nc2C#N)C1=O ZINC000917555630 1319836427 /nfs/dbraw/zinc/83/64/27/1319836427.db2.gz TWGGUEKWEAIKSR-UHFFFAOYSA-N -1 0 337.383 3.208 20 30 EGEDRM Cc1noc(C)c1S(=O)(=O)[N-]c1scc(C(C)(C)C)c1C#N ZINC000820801049 1319955904 /nfs/dbraw/zinc/95/59/04/1319955904.db2.gz UBGIVYGLKLZHAZ-UHFFFAOYSA-N -1 0 339.442 3.323 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@@H]2CC[C@@H](C)[C@@H](C)C2)n1 ZINC000837824206 1320689033 /nfs/dbraw/zinc/68/90/33/1320689033.db2.gz IXMJZANAPKTNAJ-ZMJPVWNMSA-N -1 0 334.441 3.243 20 30 EGEDRM C=CCC[C@@H](/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-])C(=O)OCC ZINC000840710382 1321132471 /nfs/dbraw/zinc/13/24/71/1321132471.db2.gz RWHXPCWQSYVUDJ-AXIYWZQUSA-N -1 0 340.763 3.271 20 30 EGEDRM CCCCCCCS(=O)(=O)[N-]c1cccc(C)c1S(C)(=O)=O ZINC000840954545 1321185335 /nfs/dbraw/zinc/18/53/35/1321185335.db2.gz JTGWAYAKPSVCAY-UHFFFAOYSA-N -1 0 347.502 3.111 20 30 EGEDRM CCCCCCC[C@H](CC(=O)[O-])NS(=O)(=O)c1ccc(C)cc1 ZINC000844205680 1321578347 /nfs/dbraw/zinc/57/83/47/1321578347.db2.gz RBVXVUNHLKNGKQ-OAHLLOKOSA-N -1 0 341.473 3.477 20 30 EGEDRM C=CCN(CC(=O)[O-])Cc1c(C)cc(C)nc1OCc1ccccc1 ZINC000846263631 1321781323 /nfs/dbraw/zinc/78/13/23/1321781323.db2.gz PCIOFJJRFQFGAE-UHFFFAOYSA-N -1 0 340.423 3.350 20 30 EGEDRM C=CCN(CC(=O)[O-])Cc1csc(COc2ccc(C)cc2)n1 ZINC000846263470 1321781401 /nfs/dbraw/zinc/78/14/01/1321781401.db2.gz MUPWCNQVEDFIBN-UHFFFAOYSA-N -1 0 332.425 3.103 20 30 EGEDRM COc1c(O)cccc1/C=C1/CCc2oc(C(=O)[O-])c(C)c2C1=O ZINC000920069329 1322133630 /nfs/dbraw/zinc/13/36/30/1322133630.db2.gz YIZVVUJVOVXVLK-NTMALXAHSA-N -1 0 328.320 3.213 20 30 EGEDRM C/C=C/COc1ccc(CCC(C)N=Nc2nnc(C)c(=O)[n-]2)cc1 ZINC000920364569 1322167846 /nfs/dbraw/zinc/16/78/46/1322167846.db2.gz YAOYHCHBFWPTIW-CJNIBHIDSA-N -1 0 341.415 3.261 20 30 EGEDRM CC(C)(C)c1ncc(C=Nn2c(=O)c3ccccc3[n-]c2=S)s1 ZINC000920371594 1322169112 /nfs/dbraw/zinc/16/91/12/1322169112.db2.gz XFQDFMYNIPQQLO-UHFFFAOYSA-N -1 0 344.465 3.321 20 30 EGEDRM Cc1ccc(-c2ccc(C=Nn3c(=O)c(C)n[n-]c3=S)s2)cc1 ZINC000920482292 1322182794 /nfs/dbraw/zinc/18/27/94/1322182794.db2.gz KANRRUKDWUMODL-UHFFFAOYSA-N -1 0 342.449 3.155 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)C2[C@H]3CCCCCC[C@H]23)n1 ZINC000850304655 1322225244 /nfs/dbraw/zinc/22/52/44/1322225244.db2.gz NYKCHGCJDSNOQB-MELADBBJSA-N -1 0 346.452 3.387 20 30 EGEDRM O=c1c2ccccc2[n-]c(=S)n1N=Cc1ccc(Cl)c(F)c1 ZINC000921258188 1322280777 /nfs/dbraw/zinc/28/07/77/1322280777.db2.gz AENPCHYPCJTLPB-UHFFFAOYSA-N -1 0 333.775 3.360 20 30 EGEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2ccc(C3CC3)cc2)cc1 ZINC000850767595 1322285438 /nfs/dbraw/zinc/28/54/38/1322285438.db2.gz NNKIHTSZFMDJOD-LJQANCHMSA-N -1 0 348.402 3.211 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])C=C(C)c2ccco2)n1 ZINC000850794801 1322294456 /nfs/dbraw/zinc/29/44/56/1322294456.db2.gz PWVLFFVNPUYTED-ZJRUKIMVSA-N -1 0 330.365 3.193 20 30 EGEDRM CCC(C#N)(CC)C(=O)N1CCC(c2nc(C)c(C(=O)[O-])s2)CC1 ZINC000923101958 1322691945 /nfs/dbraw/zinc/69/19/45/1322691945.db2.gz IKPWRTBAEBZQSG-UHFFFAOYSA-N -1 0 349.456 3.186 20 30 EGEDRM C#CC[C@H](NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)c1ccccc1 ZINC000851652364 1323069324 /nfs/dbraw/zinc/06/93/24/1323069324.db2.gz UPNREVGTMNFDLR-RDJZCZTQSA-N -1 0 330.428 3.187 20 30 EGEDRM Cc1ccc(N=NC(C)c2cc(C(=O)[O-])ccc2OC(C)C)nn1 ZINC000853304421 1325078118 /nfs/dbraw/zinc/07/81/18/1325078118.db2.gz MKZRZCKBUPILAI-UHFFFAOYSA-N -1 0 328.372 3.107 20 30 EGEDRM C[C@@H]1C[C@H](C(=O)[O-])CCC1=NNCc1ccc(Br)cc1 ZINC000853384559 1325087274 /nfs/dbraw/zinc/08/72/74/1325087274.db2.gz LSQNWQZRIXUBPK-ZYHUDNBSSA-N -1 0 339.233 3.416 20 30 EGEDRM C=CC[C@@H](NC(=O)N(C)C1(C(=O)[O-])CCCCC1)c1ccncc1 ZINC000929034705 1328493441 /nfs/dbraw/zinc/49/34/41/1328493441.db2.gz UYBYPALJESYVNE-OAHLLOKOSA-N -1 0 331.416 3.128 20 30 EGEDRM O=C(CCC(=O)C1=CC=C[CH]1)Nc1cc(-c2ccc(F)cc2)no1 ZINC001184240779 1387418660 /nfs/dbraw/zinc/41/86/60/1387418660.db2.gz FGFJTIMPMBUHHX-UHFFFAOYSA-N -1 0 325.319 3.469 20 30 EGEDRM O=C(CCC(=O)C1=CC=C[CH]1)Nc1nccnc1OCc1ccccc1 ZINC001184241226 1387418827 /nfs/dbraw/zinc/41/88/27/1387418827.db2.gz OYCNXOIKSKJKAD-UHFFFAOYSA-N -1 0 348.382 3.044 20 30 EGEDRM Cc1c(Cl)c(C#N)ccc1[N-]S(=O)(=O)c1cccnc1Cl ZINC001184877694 1387552306 /nfs/dbraw/zinc/55/23/06/1387552306.db2.gz DUBQJFQVGBEXNC-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM COc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2)c(C#N)c1 ZINC001185520292 1387737364 /nfs/dbraw/zinc/73/73/64/1387737364.db2.gz CPIDPMRZQKKUGA-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2ccc(C#N)cc2C#N)ccc1Cl ZINC001185533086 1387741945 /nfs/dbraw/zinc/74/19/45/1387741945.db2.gz XCUMLBGCYHWRCP-UHFFFAOYSA-N -1 0 331.784 3.193 20 30 EGEDRM N#Cc1ccc2ccccc2c1[N-]S(=O)(=O)c1ccc2n[nH]cc2c1 ZINC001185987186 1387842843 /nfs/dbraw/zinc/84/28/43/1387842843.db2.gz GKLSNQHNYFXEMZ-UHFFFAOYSA-N -1 0 348.387 3.389 20 30 EGEDRM Cc1nc(C#N)ccc1[N-]S(=O)(=O)c1ccc(F)c2ccccc21 ZINC001189356433 1367001801 /nfs/dbraw/zinc/00/18/01/1367001801.db2.gz PJNMGXBEDHEMHG-UHFFFAOYSA-N -1 0 341.367 3.355 20 30 EGEDRM N#Cc1c(F)cc([N-]S(=O)(=O)Cc2cc(F)ccc2F)cc1F ZINC001189697772 1367089140 /nfs/dbraw/zinc/08/91/40/1367089140.db2.gz YHNKEIOTOMOOEA-UHFFFAOYSA-N -1 0 344.289 3.057 20 30 EGEDRM N#Cc1cccc2c([N-]S(=O)(=O)c3ncc(F)cc3F)cccc12 ZINC001190182986 1367194787 /nfs/dbraw/zinc/19/47/87/1367194787.db2.gz GLMZIGWDHNBUMR-UHFFFAOYSA-N -1 0 345.330 3.185 20 30 EGEDRM Cc1sc([N-]S(=O)(=O)c2cc(F)cc(F)c2F)c(C#N)c1C ZINC001190353716 1367235600 /nfs/dbraw/zinc/23/56/00/1367235600.db2.gz QPPZYVJJGRKDDU-UHFFFAOYSA-N -1 0 346.355 3.455 20 30 EGEDRM N#Cc1cc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)c(O)cc1F ZINC001190507015 1367280230 /nfs/dbraw/zinc/28/02/30/1367280230.db2.gz POQVAXDZNVWVCN-UHFFFAOYSA-N -1 0 332.356 3.081 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2c(O)ccc3ccccc32)c1 ZINC001190647926 1367315466 /nfs/dbraw/zinc/31/54/66/1367315466.db2.gz MWYWFYLNGZLYBK-UHFFFAOYSA-N -1 0 342.351 3.357 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2c(Cl)cccc2C#N)c1 ZINC001190648032 1367315609 /nfs/dbraw/zinc/31/56/09/1367315609.db2.gz QUUCLEMNLHEQGM-UHFFFAOYSA-N -1 0 335.747 3.023 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]c2cc(F)ccc2OCCCOC)CC1 ZINC001190805392 1367354059 /nfs/dbraw/zinc/35/40/59/1367354059.db2.gz JSVBMKJHPALHMG-UHFFFAOYSA-N -1 0 343.420 3.091 20 30 EGEDRM COc1c(F)cccc1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC001190932463 1367384522 /nfs/dbraw/zinc/38/45/22/1367384522.db2.gz UWAUEQIFMYQRHL-UHFFFAOYSA-N -1 0 340.763 3.160 20 30 EGEDRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cc(F)ccc2C#N)c1 ZINC001191186430 1367441232 /nfs/dbraw/zinc/44/12/32/1367441232.db2.gz WZIXNYJWVLPPGB-UHFFFAOYSA-N -1 0 341.367 3.355 20 30 EGEDRM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1cc(C)cnc1C#N ZINC001191663000 1367556286 /nfs/dbraw/zinc/55/62/86/1367556286.db2.gz YSMLGKWBRCCZJU-UHFFFAOYSA-N -1 0 345.424 3.195 20 30 EGEDRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(C)cc1C#N ZINC001191820876 1367600996 /nfs/dbraw/zinc/60/09/96/1367600996.db2.gz IYILWNZUBGEQAK-UHFFFAOYSA-N -1 0 330.409 3.375 20 30 EGEDRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(F)c(CC#N)c1 ZINC001191833998 1367607032 /nfs/dbraw/zinc/60/70/32/1367607032.db2.gz IKBJYVJVJQNFFA-UHFFFAOYSA-N -1 0 348.399 3.400 20 30 EGEDRM N#Cc1ccsc1[N-]S(=O)(=O)Cc1ccc(Cl)cc1F ZINC001191866967 1367619569 /nfs/dbraw/zinc/61/95/69/1367619569.db2.gz SGHJJUSHMYLHRE-UHFFFAOYSA-N -1 0 330.793 3.354 20 30 EGEDRM CCCCCCCN(C)S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC001192124392 1367693985 /nfs/dbraw/zinc/69/39/85/1367693985.db2.gz RKTFGVNBCYDWAU-UHFFFAOYSA-N -1 0 341.473 3.295 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2C#N)cnc1Cl ZINC001192570667 1367820651 /nfs/dbraw/zinc/82/06/51/1367820651.db2.gz PODRZPVMUIFBBA-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM N#Cc1nc2ccc(NC(=O)c3ccc([O-])c(F)c3F)cc2s1 ZINC001192840588 1367886161 /nfs/dbraw/zinc/88/61/61/1367886161.db2.gz TYZGLVWNIPWEEC-UHFFFAOYSA-N -1 0 331.303 3.404 20 30 EGEDRM N#Cc1cc(C(=O)Nc2nc(F)cc(C(F)(F)F)c2F)ccc1[O-] ZINC001193498779 1368045601 /nfs/dbraw/zinc/04/56/01/1368045601.db2.gz LKUQMMQNCZNODZ-UHFFFAOYSA-N -1 0 343.211 3.208 20 30 EGEDRM CCC[C@@H](C(=O)c1ccccc1)N(C)C(=O)c1ccc([O-])c(C#N)c1 ZINC001193506725 1368048242 /nfs/dbraw/zinc/04/82/42/1368048242.db2.gz WYPBYEZRTKZIRW-KRWDZBQOSA-N -1 0 336.391 3.387 20 30 EGEDRM COc1ccnc(C(=O)Nc2sc3ccccc3c2C#N)c1[O-] ZINC001193525125 1368053916 /nfs/dbraw/zinc/05/39/16/1368053916.db2.gz VJOQHGIQDXQLBU-UHFFFAOYSA-N -1 0 325.349 3.134 20 30 EGEDRM COc1ccc(C2=CCN(C(=O)c3cccc(C#N)c3[O-])CC2)cc1 ZINC001193647323 1368082948 /nfs/dbraw/zinc/08/29/48/1368082948.db2.gz ZSQMZQWHDFJIGR-UHFFFAOYSA-N -1 0 334.375 3.202 20 30 EGEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cccc3ccoc32)c1 ZINC001193687642 1368095713 /nfs/dbraw/zinc/09/57/13/1368095713.db2.gz IRWHUMVRAJMNQJ-UHFFFAOYSA-N -1 0 328.349 3.114 20 30 EGEDRM N#CCCN(Cc1ccc(Cl)cc1)C(=O)c1ccc(C#N)cc1[O-] ZINC001195750082 1368482097 /nfs/dbraw/zinc/48/20/97/1368482097.db2.gz DGAISTSGHJWTNH-UHFFFAOYSA-N -1 0 339.782 3.473 20 30 EGEDRM N#Cc1c2c(sc1[N-]S(=O)(=O)c1ccc(O)cc1)CCCC2 ZINC001195755184 1368482335 /nfs/dbraw/zinc/48/23/35/1368482335.db2.gz GXSUSYHVVDMAFW-UHFFFAOYSA-N -1 0 334.422 3.005 20 30 EGEDRM CC(C)(C)OC(=O)c1ccccc1NC(=O)c1ccc(C#N)cc1[O-] ZINC001195759124 1368483302 /nfs/dbraw/zinc/48/33/02/1368483302.db2.gz WKKHEPGPVWCIMI-UHFFFAOYSA-N -1 0 338.363 3.471 20 30 EGEDRM CC(C)(CNC(=O)c1ccc(C#N)cc1[O-])c1c[nH]c2ccccc21 ZINC001195768195 1368485940 /nfs/dbraw/zinc/48/59/40/1368485940.db2.gz IPSYHUFTPWCBHC-UHFFFAOYSA-N -1 0 333.391 3.453 20 30 EGEDRM N#Cc1cccc(Cl)c1[N-]S(=O)(=O)c1ccc(Cl)cn1 ZINC001196245414 1368575643 /nfs/dbraw/zinc/57/56/43/1368575643.db2.gz YSKOZAQOWREUOF-UHFFFAOYSA-N -1 0 328.180 3.061 20 30 EGEDRM N#Cc1cc(F)c(NC(=O)c2cc(Cl)ncc2[O-])c(Cl)c1 ZINC001196396409 1368606275 /nfs/dbraw/zinc/60/62/75/1368606275.db2.gz INIJAAPJNNFHGP-UHFFFAOYSA-N -1 0 326.114 3.357 20 30 EGEDRM C#Cc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)ccc1F ZINC001196680090 1368660700 /nfs/dbraw/zinc/66/07/00/1368660700.db2.gz XNOPKZRXLDXHDY-UHFFFAOYSA-N -1 0 334.759 3.133 20 30 EGEDRM Cc1ccnc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2C#N)c1 ZINC001198006230 1368940269 /nfs/dbraw/zinc/94/02/69/1368940269.db2.gz QJZICIRODSTYNH-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM C=CCc1c(F)c(F)c(C(=O)[N-]c2cc(OC)on2)c(F)c1F ZINC001186714153 1387999856 /nfs/dbraw/zinc/99/98/56/1387999856.db2.gz XBUATFHEVRIMCT-UHFFFAOYSA-N -1 0 330.237 3.220 20 30 EGEDRM Cc1cccc(S(=O)(=O)[N-]c2nc(Cl)cc(C)c2C#N)c1F ZINC001200692220 1369414449 /nfs/dbraw/zinc/41/44/49/1369414449.db2.gz WABCCRIAVBWENH-UHFFFAOYSA-N -1 0 339.779 3.163 20 30 EGEDRM C#Cc1cccnc1[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1F ZINC001201246548 1369503924 /nfs/dbraw/zinc/50/39/24/1369503924.db2.gz HPSNIPHNOQCKCJ-UHFFFAOYSA-N -1 0 345.182 3.310 20 30 EGEDRM CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C)c(C#N)c1 ZINC001201288195 1369511160 /nfs/dbraw/zinc/51/11/60/1369511160.db2.gz WBNKXRPOAIKCOG-UHFFFAOYSA-N -1 0 334.372 3.205 20 30 EGEDRM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C)c(C#N)c1 ZINC001201287543 1369511361 /nfs/dbraw/zinc/51/13/61/1369511361.db2.gz LBGNCQRANXFIKN-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2cncc(C(F)(F)F)c2)cc1C#N ZINC001201292720 1369511901 /nfs/dbraw/zinc/51/19/01/1369511901.db2.gz JHEMHZUFBKAFIR-UHFFFAOYSA-N -1 0 341.314 3.081 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2cc(F)cc3cccnc32)cc1C#N ZINC001201320077 1369518156 /nfs/dbraw/zinc/51/81/56/1369518156.db2.gz PMTUPAWZHPFHFU-UHFFFAOYSA-N -1 0 341.367 3.355 20 30 EGEDRM COc1ccc(C#N)cc1Nc1c(C)cc(C)cc1S(=O)(=O)[O-] ZINC001201588224 1369583468 /nfs/dbraw/zinc/58/34/68/1369583468.db2.gz OETLJLWMSVCQDO-UHFFFAOYSA-N -1 0 332.381 3.174 20 30 EGEDRM N#Cc1ccc(Nc2ccc(S(=O)(=O)[O-])cc2Cl)cc1F ZINC001204076650 1370369255 /nfs/dbraw/zinc/36/92/55/1370369255.db2.gz OKJITQNVLXIZMP-UHFFFAOYSA-N -1 0 326.736 3.341 20 30 EGEDRM O=C(CCc1nc(-c2cccc(-c3ccccn3)n2)no1)C1=CC=C[CH]1 ZINC001204656257 1370538074 /nfs/dbraw/zinc/53/80/74/1370538074.db2.gz HIGSFXKMDVVXRO-UHFFFAOYSA-N -1 0 343.366 3.396 20 30 EGEDRM CC(C)(C)C(=O)Nc1ccc(C#N)nc1-c1ccsc1C(=O)[O-] ZINC001205542557 1370785922 /nfs/dbraw/zinc/78/59/22/1370785922.db2.gz KFDGDQWWZRERSC-UHFFFAOYSA-N -1 0 329.381 3.365 20 30 EGEDRM COc1cc(C(=O)Nc2cc(C#N)c(F)cc2[O-])ccc1OC(C)C ZINC001187569861 1388126722 /nfs/dbraw/zinc/12/67/22/1388126722.db2.gz GXDQMKPZBAQOEO-UHFFFAOYSA-N -1 0 344.342 3.451 20 30 EGEDRM N#CC(=C([O-])c1coc2ccccc21)c1nc(N)c2ccccc2n1 ZINC001122496312 1372260028 /nfs/dbraw/zinc/26/00/28/1372260028.db2.gz GAEWZOGUPFWLOH-ZDUSSCGKSA-N -1 0 328.331 3.448 20 30 EGEDRM C=C(C)Cn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N(CC)CCCC ZINC001122547198 1372271790 /nfs/dbraw/zinc/27/17/90/1372271790.db2.gz MZBGXFIVGBVEGQ-UHFFFAOYSA-N -1 0 340.431 3.120 20 30 EGEDRM COc1ccc(C(=O)[O-])cc1Nc1cccc(C#CC(C)(C)O)c1 ZINC001210259073 1372307666 /nfs/dbraw/zinc/30/76/66/1372307666.db2.gz BEUSZBKFIARBSY-UHFFFAOYSA-N -1 0 325.364 3.259 20 30 EGEDRM Cc1oc(Br)cc1C([O-])=C(C#N)c1ncc(Cl)n1C ZINC001123232857 1372403102 /nfs/dbraw/zinc/40/31/02/1372403102.db2.gz CSBDGUSMRMLEOZ-MRVPVSSYSA-N -1 0 342.580 3.228 20 30 EGEDRM COc1c(Nc2c(C#N)cnnc2-c2ccccc2)cccc1C(=O)[O-] ZINC001211033849 1372474074 /nfs/dbraw/zinc/47/40/74/1372474074.db2.gz IQXHSTAEKLZAJQ-UHFFFAOYSA-N -1 0 346.346 3.466 20 30 EGEDRM COc1cc(C#N)c(Nc2cccc(C(=O)[O-])c2OC)cc1OC ZINC001211036563 1372474741 /nfs/dbraw/zinc/47/47/41/1372474741.db2.gz IPMVBTUGPIXJGR-UHFFFAOYSA-N -1 0 328.324 3.026 20 30 EGEDRM N#Cc1ccc(Nc2ccc3c(cccc3S(=O)(=O)[O-])c2)c(N)c1 ZINC001213361642 1372892258 /nfs/dbraw/zinc/89/22/58/1372892258.db2.gz WDJUHIAQMOLKDX-UHFFFAOYSA-N -1 0 339.376 3.284 20 30 EGEDRM Cc1cc(N2CCOCC2)ccc1Nc1cc(C#N)c(F)cc1[O-] ZINC001213566510 1372927377 /nfs/dbraw/zinc/92/73/77/1372927377.db2.gz DBEFBISZRUSFSI-UHFFFAOYSA-N -1 0 327.359 3.292 20 30 EGEDRM N#Cc1cnccc1Nc1ccc2ccc(S(=O)(=O)[O-])cc2c1 ZINC001214015142 1372994033 /nfs/dbraw/zinc/99/40/33/1372994033.db2.gz DDIGLDOJCDWPMO-UHFFFAOYSA-N -1 0 325.349 3.097 20 30 EGEDRM COc1ccc(Nc2c(C)cc(C)cc2S(=O)(=O)[O-])cc1C#N ZINC001215002589 1373153815 /nfs/dbraw/zinc/15/38/15/1373153815.db2.gz KVSYBLLFYZTNNE-UHFFFAOYSA-N -1 0 332.381 3.174 20 30 EGEDRM N#Cc1cc(OC(F)(F)F)ccc1Nc1cnc(F)c(C(=O)[O-])c1 ZINC001215118203 1373172942 /nfs/dbraw/zinc/17/29/42/1373172942.db2.gz TYOJVOBXDZEMTD-UHFFFAOYSA-N -1 0 341.220 3.433 20 30 EGEDRM N#Cc1cc(F)cc(-c2noc(-c3cc([O-])ccc3[N+](=O)[O-])n2)c1 ZINC001216678418 1373330427 /nfs/dbraw/zinc/33/04/27/1373330427.db2.gz CNNABGHPORURHI-UHFFFAOYSA-N -1 0 326.243 3.028 20 30 EGEDRM N#Cc1ccc(-c2nc(-c3cccc(-n4cccn4)c3)no2)c([O-])c1 ZINC001217038818 1373381903 /nfs/dbraw/zinc/38/19/03/1373381903.db2.gz IAZKMONLWVCUGZ-UHFFFAOYSA-N -1 0 329.319 3.167 20 30 EGEDRM N#Cc1cccc(-c2noc(-c3cc(=O)c4cc(F)ccc4[n-]3)n2)c1 ZINC001217442082 1373445309 /nfs/dbraw/zinc/44/53/09/1373445309.db2.gz BHCGACISEKBTHN-UHFFFAOYSA-N -1 0 332.294 3.256 20 30 EGEDRM Cc1cc(C)n(-c2ccccc2C(=O)Nc2ccc(C#N)cc2O)n1 ZINC001188241698 1388272909 /nfs/dbraw/zinc/27/29/09/1388272909.db2.gz BYDASHHBGLYEON-UHFFFAOYSA-N -1 0 332.363 3.319 20 30 EGEDRM CC1(C)CC(=O)C=C(NC(=O)c2ccc([O-])c(C(F)(F)F)c2)C1 ZINC001188588289 1388337578 /nfs/dbraw/zinc/33/75/78/1388337578.db2.gz LXNNODRFOABSFJ-UHFFFAOYSA-N -1 0 327.302 3.414 20 30 EGEDRM C=CC[C@H](NC(=O)c1ccccc1SCc1ccco1)C(=O)[O-] ZINC001327013441 1388364762 /nfs/dbraw/zinc/36/47/62/1388364762.db2.gz LIIIGUHFUKZNKL-AWEZNQCLSA-N -1 0 331.393 3.331 20 30 EGEDRM C=CC[C@@H](NC(=O)CCCCc1nc2ccccc2s1)C(=O)[O-] ZINC001327014509 1388365251 /nfs/dbraw/zinc/36/52/51/1388365251.db2.gz XNAFUCIYCONXNV-CYBMUJFWSA-N -1 0 332.425 3.155 20 30 EGEDRM C=CC[C@@H](NC(=O)c1cc2c(ccc(Cl)c2Cl)[nH]1)C(=O)[O-] ZINC001327014462 1388365402 /nfs/dbraw/zinc/36/54/02/1388365402.db2.gz VXKFTFHPXIJKIH-SNVBAGLBSA-N -1 0 327.167 3.234 20 30 EGEDRM C=CCOc1ccccc1[C@H](C)Oc1[n-]c(=O)nc2ncsc21 ZINC001227610231 1375452842 /nfs/dbraw/zinc/45/28/42/1375452842.db2.gz JTGQWCWKKNAVPH-JTQLQIEISA-N -1 0 329.381 3.497 20 30 EGEDRM C=C[C@H](CC(=O)OC(C)(C)C)Oc1[n-]c(=O)nc2cccc(OC)c21 ZINC001229239279 1375792385 /nfs/dbraw/zinc/79/23/85/1375792385.db2.gz MNLSJBSADHPUDO-LLVKDONJSA-N -1 0 346.383 3.009 20 30 EGEDRM O=C1C=C[C@H](Oc2c([O-])ccc3c(=O)cc(-c4ccccc4)oc32)C1 ZINC001229431517 1375833669 /nfs/dbraw/zinc/83/36/69/1375833669.db2.gz DRFNZLPEHIAPID-AWEZNQCLSA-N -1 0 334.327 3.442 20 30 EGEDRM N#CCc1ccc(OCc2ccc(-c3cncc(C(=O)[O-])c3)nc2)cc1 ZINC001241800965 1377020152 /nfs/dbraw/zinc/02/01/52/1377020152.db2.gz PLXXDYOLMYJUIG-UHFFFAOYSA-N -1 0 345.358 3.487 20 30 EGEDRM CCOC(=O)c1cc(-c2cc(OC)cc(C(=O)[O-])c2)ccc1C#N ZINC001244178066 1377035845 /nfs/dbraw/zinc/03/58/45/1377035845.db2.gz WWWLHYFAMFQRBO-UHFFFAOYSA-N -1 0 325.320 3.109 20 30 EGEDRM N#Cc1cc(F)cc(-c2noc(-c3cccc(CCC(=O)[O-])c3)n2)c1 ZINC001249271249 1377073877 /nfs/dbraw/zinc/07/38/77/1377073877.db2.gz XSLLVLDNVSVWDT-UHFFFAOYSA-N -1 0 337.310 3.432 20 30 EGEDRM COc1cccc(S(=O)(=O)[N-]c2cc(Cl)c(C)cc2C#N)c1 ZINC001259190800 1377121596 /nfs/dbraw/zinc/12/15/96/1377121596.db2.gz OXXNKZBHNCOKLY-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)c1cc(F)cc(F)c1[O-] ZINC001142422690 1378441753 /nfs/dbraw/zinc/44/17/53/1378441753.db2.gz MTUFVERHZSNALS-MRXNPFEDSA-N -1 0 328.318 3.349 20 30 EGEDRM N#Cc1cc(NC(=O)c2cnc3[nH]ccc3c2Cl)c([O-])cc1F ZINC001151033945 1379651489 /nfs/dbraw/zinc/65/14/89/1379651489.db2.gz IBGOBEOPKUHHJV-UHFFFAOYSA-N -1 0 330.706 3.137 20 30 EGEDRM N#Cc1cc(NC(=O)c2ccnc3ccc(F)cc32)c([O-])cc1F ZINC001153716484 1380117703 /nfs/dbraw/zinc/11/77/03/1380117703.db2.gz QCRXWLAFYVRZAO-UHFFFAOYSA-N -1 0 325.274 3.343 20 30 EGEDRM N#CCc1ccc(S(=O)(=O)[N-]c2cc(C3CCCCC3)[nH]n2)cc1 ZINC001319337719 1386066549 /nfs/dbraw/zinc/06/65/49/1386066549.db2.gz SAEWYTUDWHQHME-UHFFFAOYSA-N -1 0 344.440 3.324 20 30 EGEDRM N#Cc1cccc(NC(=O)N[C@@H](Cc2ccccc2Cl)C(=O)[O-])c1 ZINC001320950621 1386767304 /nfs/dbraw/zinc/76/73/04/1386767304.db2.gz YMDPGXYCCNMHLQ-HNNXBMFYSA-N -1 0 343.770 3.029 20 30 EGEDRM C=CC[C@H](NC(=O)Nc1cc(Cl)c(OC)c(Cl)c1)C(=O)[O-] ZINC001321148013 1386822867 /nfs/dbraw/zinc/82/28/67/1386822867.db2.gz GKXNBEKYJFNDEF-JTQLQIEISA-N -1 0 333.171 3.153 20 30 EGEDRM C=CC[C@H](NC(=O)Nc1cccc(Oc2ccccn2)c1)C(=O)[O-] ZINC001321151673 1386823280 /nfs/dbraw/zinc/82/32/80/1386823280.db2.gz XIXDYVUTWSMRGZ-AWEZNQCLSA-N -1 0 327.340 3.025 20 30 EGEDRM C=C1CCC(C(=O)[N-]S(=O)(=O)c2c(C)ccc3cccnc32)CC1 ZINC001334247997 1390505577 /nfs/dbraw/zinc/50/55/77/1390505577.db2.gz RTNMYVHCJFXIGQ-UHFFFAOYSA-N -1 0 344.436 3.095 20 30 EGEDRM C=CCn1c(-c2ccc(Cl)cc2O)nnc1N1CCCO[C@@H](C)C1 ZINC001342358694 1390604994 /nfs/dbraw/zinc/60/49/94/1390604994.db2.gz LLUQGQRIYJNDCF-LBPRGKRZSA-N -1 0 348.834 3.105 20 30 EGEDRM C=CCNC(=O)C(C#N)=C([O-])c1nc(-c2ccccc2)oc1C(C)C ZINC001342539240 1390624093 /nfs/dbraw/zinc/62/40/93/1390624093.db2.gz TXLJGHFXDFWZHF-CQSZACIVSA-N -1 0 337.379 3.090 20 30 EGEDRM COc1cc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)ccn1 ZINC001343441566 1390714330 /nfs/dbraw/zinc/71/43/30/1390714330.db2.gz GEFHLTKTKGICGC-NSHDSACASA-N -1 0 327.340 3.329 20 30 EGEDRM N#CC(=C([O-])c1csc(Nc2ccccn2)n1)c1cccc(F)n1 ZINC001344005164 1390749418 /nfs/dbraw/zinc/74/94/18/1390749418.db2.gz OGAYIVFNTKJXHQ-JTQLQIEISA-N -1 0 339.355 3.306 20 30 EGEDRM Cc1nc(C(C)C)oc1C([O-])=C(C#N)c1nc(N)c2ccccc2n1 ZINC001346088216 1390906331 /nfs/dbraw/zinc/90/63/31/1390906331.db2.gz SPRPPYKDWHSVSB-LBPRGKRZSA-N -1 0 335.367 3.122 20 30 EGEDRM Cn1nc(C([O-])=C(C#N)c2nc3c(cccc3Cl)[nH]2)cc1C1CC1 ZINC001349760799 1391363411 /nfs/dbraw/zinc/36/34/11/1391363411.db2.gz SWZUEHRVAZVWED-SNVBAGLBSA-N -1 0 339.786 3.317 20 30 EGEDRM C=CC[C@H](NC(=O)Nc1cccc(COC(C)(C)C)c1C)C(=O)[O-] ZINC001352156335 1391766135 /nfs/dbraw/zinc/76/61/35/1391766135.db2.gz OKQPTDCMFFRYAR-HNNXBMFYSA-N -1 0 334.416 3.461 20 30 EGEDRM C=CCCCCCN(C)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735409270 1429188683 /nfs/dbraw/zinc/18/86/83/1429188683.db2.gz XHYXALCVDDZCDC-AWEZNQCLSA-N -1 0 342.447 3.316 20 30 EGEDRM Cc1ccc2c(c1)OCCC(=Cc1ccc(-c3nn[n-]n3)cc1)C2=O ZINC000822280824 1424575412 /nfs/dbraw/zinc/57/54/12/1424575412.db2.gz XWWQYWXTNROBFF-RVDMUPIBSA-N -1 0 332.363 3.224 20 30 EGEDRM N#Cc1ccc2c(c1)CCC(=Cc1ccc(-c3nn[n-]n3)s1)C2=O ZINC000822837359 1424601241 /nfs/dbraw/zinc/60/12/41/1424601241.db2.gz LFWHCKFFXFAPGF-XYOKQWHBSA-N -1 0 333.376 3.012 20 30 EGEDRM CCC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccc(C)cc1 ZINC000825029397 1425488334 /nfs/dbraw/zinc/48/83/34/1425488334.db2.gz RIQCDZTVBOHTDA-UHFFFAOYSA-N -1 0 341.806 3.450 20 30 EGEDRM O=C(C=Cc1nc(Cl)cs1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826403472 1425582106 /nfs/dbraw/zinc/58/21/06/1425582106.db2.gz TUCGPNVFUJMBNN-ONEGZZNKSA-N -1 0 335.751 3.012 20 30 EGEDRM N#Cc1cc(F)ccc1N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826384268 1426467851 /nfs/dbraw/zinc/46/78/51/1426467851.db2.gz NZJIETWRRZAPOQ-UHFFFAOYSA-N -1 0 346.369 3.171 20 30 EGEDRM CC(=NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(C#N)cc1 ZINC000823958309 1426584286 /nfs/dbraw/zinc/58/42/86/1426584286.db2.gz IMKOMTVXOMMCDJ-UHFFFAOYSA-N -1 0 337.774 3.228 20 30 EGEDRM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1cccc(F)c1F ZINC000826401033 1426949788 /nfs/dbraw/zinc/94/97/88/1426949788.db2.gz NMZQJPXNPFAJOM-FNORWQNLSA-N -1 0 330.269 3.180 20 30 EGEDRM C=CC[C@H](C)NC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735409049 1427710411 /nfs/dbraw/zinc/71/04/11/1427710411.db2.gz AWAIBLFOKMVJLK-ZDUSSCGKSA-N -1 0 349.394 3.353 20 30 EGEDRM C[C@H]1C[C@H]1c1ccc(C=NNc2cc(-c3nnn[n-]3)cc(Cl)n2)o1 ZINC000824897828 1430125210 /nfs/dbraw/zinc/12/52/10/1430125210.db2.gz BNOIHFHNJVRNGV-GZMMTYOYSA-N -1 0 343.778 3.078 20 30 EGEDRM c1ccc(C(C[C@@H]2CCOC2)=NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826520545 1430192050 /nfs/dbraw/zinc/19/20/50/1430192050.db2.gz LTBGZSXRBOXEDY-AWEZNQCLSA-N -1 0 348.410 3.110 20 30 EGEDRM CC#CCN(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC000735447193 1441454339 /nfs/dbraw/zinc/45/43/39/1441454339.db2.gz CNQCQEPKPJTZQU-UHFFFAOYSA-N -1 0 335.386 3.031 20 30 EGEDRM CCC(CC)CN(CCC#N)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000820893046 1441880101 /nfs/dbraw/zinc/88/01/01/1441880101.db2.gz INIVTFVWZAMDDW-UHFFFAOYSA-N -1 0 330.411 3.158 20 30 EGEDRM O=C1C(=Cc2ccc(-c3nn[n-]n3)s2)CSc2c(F)cccc21 ZINC000823503832 1441990231 /nfs/dbraw/zinc/99/02/31/1441990231.db2.gz JHYIOFVZVKPMKC-SOFGYWHQSA-N -1 0 344.396 3.439 20 30 EGEDRM Cn1cc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC000737601864 1442137780 /nfs/dbraw/zinc/13/77/80/1442137780.db2.gz FMFRSDBUZFQVLI-FLIBITNWSA-N -1 0 329.363 3.255 20 30 EGEDRM C[C@@H]1C(=NNCc2ccc(-c3nn[n-]n3)cc2)C[C@H]1c1ccccc1 ZINC000820642338 1443835511 /nfs/dbraw/zinc/83/55/11/1443835511.db2.gz IAHRFRYDQCMHJE-SUMWQHHRSA-N -1 0 332.411 3.136 20 30 EGEDRM C=C(C)CN(C)C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823873686 1443985114 /nfs/dbraw/zinc/98/51/14/1443985114.db2.gz PHBGRYTWNCIGOC-UHFFFAOYSA-N -1 0 348.410 3.258 20 30 EGEDRM Cc1cc2c(cc1C)C(=NNc1ccc(-c3nn[n-]n3)cc1)CCCO2 ZINC000737285736 1444009996 /nfs/dbraw/zinc/00/99/96/1444009996.db2.gz UBPXRZBDXAXKIH-UHFFFAOYSA-N -1 0 348.410 3.472 20 30 EGEDRM C#Cc1cccc(NCc2ccc(-c3nn[n-]n3)cc2OC(F)F)c1 ZINC000819710189 1446408112 /nfs/dbraw/zinc/40/81/12/1446408112.db2.gz YUMGHLYHWHKMLF-UHFFFAOYSA-N -1 0 341.321 3.062 20 30 EGEDRM Brc1cccc(NN=Cc2ccc(-c3nn[n-]n3)s2)c1 ZINC000819688138 1446886152 /nfs/dbraw/zinc/88/61/52/1446886152.db2.gz DPXNZBHUZAGJRT-UHFFFAOYSA-N -1 0 349.217 3.137 20 30 EGEDRM CC(C)c1ncc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)s1 ZINC000824364569 1446954095 /nfs/dbraw/zinc/95/40/95/1446954095.db2.gz LWTABYNBAOIHGZ-ONEGZZNKSA-N -1 0 331.426 3.404 20 30 EGEDRM CC(Cc1cccc(F)c1)N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000824457012 1447190017 /nfs/dbraw/zinc/19/00/17/1447190017.db2.gz CMAFHYFZBIDPTL-UHFFFAOYSA-N -1 0 345.769 3.085 20 30 EGEDRM CCOc1ccc(O)c(C=Nc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000821427005 1447332382 /nfs/dbraw/zinc/33/23/82/1447332382.db2.gz MALXYFLLSXZJKO-UHFFFAOYSA-N -1 0 343.774 3.375 20 30 EGEDRM C=CCCCNC(=O)N[C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000909123297 939383249 /nfs/dbraw/zinc/38/32/49/939383249.db2.gz QGLLBIUVCKTWFY-LBPRGKRZSA-N -1 0 330.306 3.097 20 30 EGEDRM C=CC[C@@H](NC(=O)NC1(C(=O)[O-])CCC(CC)CC1)c1ccncc1 ZINC000929034566 939795884 /nfs/dbraw/zinc/79/58/84/939795884.db2.gz UDIFNMXCHZAJNH-NLGTXKQRSA-N -1 0 345.443 3.422 20 30 EGEDRM Cc1c(C)n(C2CCCC2)c(NC(=O)CS[C@H](C)C(=O)[O-])c1C#N ZINC001611118709 970897812 /nfs/dbraw/zinc/89/78/12/970897812.db2.gz WCJMXGZWVWMJNZ-GFCCVEGCSA-N -1 0 349.456 3.237 20 30 EGEDRM C#CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccccc1CC(=O)[O-] ZINC001602675491 971249510 /nfs/dbraw/zinc/24/95/10/971249510.db2.gz WYDJZMZZZWKWHX-KRWDZBQOSA-N -1 0 336.391 3.070 20 30 EGEDRM O=C([O-])c1cccc(CON=Cc2c(Cl)nc3ccccn32)c1 ZINC001595248458 949524153 /nfs/dbraw/zinc/52/41/53/949524153.db2.gz WGUCLXLAPXQNDY-UHFFFAOYSA-N -1 0 329.743 3.237 20 30 EGEDRM CC(C)(C)CC[C@H](NC(=O)C[C@H](CC#N)c1ccccc1)C(=O)[O-] ZINC001602859318 971709450 /nfs/dbraw/zinc/70/94/50/971709450.db2.gz GHPJXXDZTPBLTO-HOTGVXAUSA-N -1 0 330.428 3.470 20 30 EGEDRM O=C([O-])[C@@H]1CCCN1C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC001595167232 952209957 /nfs/dbraw/zinc/20/99/57/952209957.db2.gz MBBMFLBANPXIPJ-SFHVURJKSA-N -1 0 334.375 3.167 20 30 EGEDRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)C1(c2ccc(C#N)cc2)CCCC1 ZINC001589299866 953685101 /nfs/dbraw/zinc/68/51/01/953685101.db2.gz OILVMOCNJZJUCE-HOCLYGCPSA-N -1 0 340.423 3.082 20 30 EGEDRM O=C([O-])C1(NC(=O)Nc2cccc(C#Cc3ccccn3)c2)CCCC1 ZINC001594808137 953794786 /nfs/dbraw/zinc/79/47/86/953794786.db2.gz VLDXXKXWUNGJEU-UHFFFAOYSA-N -1 0 349.390 3.000 20 30 EGEDRM N#Cc1ccc(C(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])cc1Cl ZINC001594617913 956256109 /nfs/dbraw/zinc/25/61/09/956256109.db2.gz RCCHWBUBMOXYCW-MRXNPFEDSA-N -1 0 340.766 3.036 20 30 EGEDRM N#Cc1ccc(Cl)c(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])c1 ZINC001594619517 956268124 /nfs/dbraw/zinc/26/81/24/956268124.db2.gz DUPWFHYPTGBVNR-DFBGVHRSSA-N -1 0 332.787 3.070 20 30 EGEDRM N#Cc1ccc(NC(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1F ZINC001594623147 956296391 /nfs/dbraw/zinc/29/63/91/956296391.db2.gz WQTJHAKCZLUZBP-GDBMZVCRSA-N -1 0 339.326 3.132 20 30 EGEDRM N#Cc1ccc(Oc2ccc(NC(=O)NCC(=O)[O-])cc2Cl)cc1 ZINC001594625860 956313003 /nfs/dbraw/zinc/31/30/03/956313003.db2.gz YJNPDDDBKHXTHY-UHFFFAOYSA-N -1 0 345.742 3.210 20 30 EGEDRM C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)[C@](C)(C#N)CC(=O)[O-] ZINC001589175113 956491386 /nfs/dbraw/zinc/49/13/86/956491386.db2.gz ZYMUQDDNBFQBED-PRXAMGSTSA-N -1 0 336.819 3.295 20 30 EGEDRM N#CCc1cccc(NCc2ccc(N3CCC(C(=O)[O-])CC3)o2)c1 ZINC000904245914 956937711 /nfs/dbraw/zinc/93/77/11/956937711.db2.gz GUAXXRQENAQMCK-UHFFFAOYSA-N -1 0 339.395 3.259 20 30 EGEDRM Cc1cc(C#N)cc(NC(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC001594273916 957698293 /nfs/dbraw/zinc/69/82/93/957698293.db2.gz HKRXFNOCAIIBKC-IAGOWNOFSA-N -1 0 335.363 3.301 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)N[C@H](C)c1ccc(Cl)c2ccccc21 ZINC001588407203 958097770 /nfs/dbraw/zinc/09/77/70/958097770.db2.gz IJSOIKPTPQHRIJ-GFCCVEGCSA-N -1 0 344.798 3.284 20 30 EGEDRM C=CCCCCCCNS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC000391427796 972335878 /nfs/dbraw/zinc/33/58/78/972335878.db2.gz YXPQFOSNOUZHEG-UHFFFAOYSA-N -1 0 339.457 3.416 20 30 EGEDRM C#Cc1ccccc1CC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001588438985 958308676 /nfs/dbraw/zinc/30/86/76/958308676.db2.gz BSUOPQHSPUWYPM-UHFFFAOYSA-N -1 0 331.730 3.340 20 30 EGEDRM Cc1ccc(C(=O)/C=C\C(=O)Nc2cccc(CCC(=O)[O-])c2)cc1 ZINC001594342906 958311582 /nfs/dbraw/zinc/31/15/82/958311582.db2.gz DININAUSCOUIGB-KHPPLWFESA-N -1 0 337.375 3.390 20 30 EGEDRM C=CC[C@H](Cc1ccccc1)NC(=O)NCc1cccc(C(=O)[O-])c1 ZINC001588453429 958438267 /nfs/dbraw/zinc/43/82/67/958438267.db2.gz XIKPNMDBIWUCFG-GOSISDBHSA-N -1 0 338.407 3.371 20 30 EGEDRM C=CCCCC(=O)Nc1sc(C(=O)OCC)c(C)c1C(=O)[O-] ZINC001588458426 958462162 /nfs/dbraw/zinc/46/21/62/958462162.db2.gz OJYVLLJUNQULRR-UHFFFAOYSA-N -1 0 325.386 3.226 20 30 EGEDRM C=C[C@@H](CC(=O)Nc1nc2ccccn2c1C(=O)[O-])c1ccccc1 ZINC001573329750 958511080 /nfs/dbraw/zinc/51/10/80/958511080.db2.gz MACHPWWGBJJBLB-ZDUSSCGKSA-N -1 0 335.363 3.331 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC(Cc2ccccc2Cl)CC1 ZINC001573359799 958587180 /nfs/dbraw/zinc/58/71/80/958587180.db2.gz IRWBDOBUBBCFEQ-GOSISDBHSA-N -1 0 348.830 3.126 20 30 EGEDRM CC(C)(C)CC[C@@H](NC(=O)Nc1nc(Cl)c(C#N)s1)C(=O)[O-] ZINC001573395373 958714456 /nfs/dbraw/zinc/71/44/56/958714456.db2.gz LVSVRDSCFRFJNK-SSDOTTSWSA-N -1 0 344.824 3.069 20 30 EGEDRM Cc1cc(C)c2c(c1)OC/C(=C\c1ccc(OCC(=O)[O-])cc1)C2=O ZINC000141649968 958975452 /nfs/dbraw/zinc/97/54/52/958975452.db2.gz RCVJQTNXNYTEEC-OQLLNIDSSA-N -1 0 338.359 3.426 20 30 EGEDRM N#CCc1ccc(NC(=O)COc2ccc(C(=O)[O-])cc2Cl)cc1 ZINC000391929878 972392010 /nfs/dbraw/zinc/39/20/10/972392010.db2.gz ZSVPPWPXGSRXLW-UHFFFAOYSA-N -1 0 344.754 3.122 20 30 EGEDRM Cc1nc(NC[C@@](C)(C(=O)[O-])c2ccccc2)c(Cl)cc1C#N ZINC001594459981 959443562 /nfs/dbraw/zinc/44/35/62/959443562.db2.gz BCRWPCPPFSRTNT-QGZVFWFLSA-N -1 0 329.787 3.370 20 30 EGEDRM CC(C)(C#N)c1ccc(C(=O)N2CCCC[C@H]2CCC(=O)[O-])cc1 ZINC001588607622 959492034 /nfs/dbraw/zinc/49/20/34/959492034.db2.gz NSGQQCUDBAHJOW-INIZCTEOSA-N -1 0 328.412 3.347 20 30 EGEDRM C=C(Br)CNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-] ZINC000226895079 959909668 /nfs/dbraw/zinc/90/96/68/959909668.db2.gz DOWUIKCFZXINSV-UHFFFAOYSA-N -1 0 335.541 3.267 20 30 EGEDRM Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@@H](C)C(=O)[O-] ZINC001574333287 960900671 /nfs/dbraw/zinc/90/06/71/960900671.db2.gz NSDKFJPIEWSBFI-CYBMUJFWSA-N -1 0 340.354 3.260 20 30 EGEDRM CCCCCCCCNC(=O)NC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001573841083 961076728 /nfs/dbraw/zinc/07/67/28/961076728.db2.gz PYGNFMQZVMQABX-CSLYMUCUSA-N -1 0 340.464 3.059 20 30 EGEDRM CC(C)(C)c1ccc([C@@H](C#N)NC(=O)C2(C(=O)[O-])CC=CC2)cc1 ZINC001588739850 961162768 /nfs/dbraw/zinc/16/27/68/961162768.db2.gz YQCCJISMALMJJO-OAHLLOKOSA-N -1 0 326.396 3.086 20 30 EGEDRM CC(C)(C(=O)Nc1cccc(CCC(=O)[O-])c1)c1ccc(C#N)cc1 ZINC001334009891 961739880 /nfs/dbraw/zinc/73/98/80/961739880.db2.gz GSEITXFKDMLVME-UHFFFAOYSA-N -1 0 336.391 3.492 20 30 EGEDRM C#CCCOc1ccc(C(=O)Oc2ccc(C(=O)[O-])cc2OC)cc1 ZINC001573301415 962626146 /nfs/dbraw/zinc/62/61/46/962626146.db2.gz AOJXCYWALUPMBZ-UHFFFAOYSA-N -1 0 340.331 3.015 20 30 EGEDRM C#C[C@H](NC(=O)Nc1cccc(C(=O)[O-])c1OC(C)C)C(C)(C)C ZINC001573303133 962671699 /nfs/dbraw/zinc/67/16/99/962671699.db2.gz VNKACOFHWNNXOK-AWEZNQCLSA-N -1 0 332.400 3.341 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N[C@H](C)c1cccc(OC(F)(F)F)c1 ZINC001573332223 962827623 /nfs/dbraw/zinc/82/76/23/962827623.db2.gz KTIMMGZLGNOMHF-SNVBAGLBSA-N -1 0 331.290 3.183 20 30 EGEDRM C=CC[C@H]1CCCC[C@H]1NC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001573353517 963003484 /nfs/dbraw/zinc/00/34/84/963003484.db2.gz XSKALMDOICYJQN-WFXMFSGNSA-N -1 0 334.460 3.408 20 30 EGEDRM C=CCCC1(CNS(=O)(=O)c2ccc(C(=O)[O-])cc2)CCCC1 ZINC001573357821 963021627 /nfs/dbraw/zinc/02/16/27/963021627.db2.gz TVNQYNVOEHRNOV-UHFFFAOYSA-N -1 0 337.441 3.190 20 30 EGEDRM CC(C)C[C@@H](CNC(=O)N(C)[C@H](C)c1cccc(C#N)c1)C(=O)[O-] ZINC001121899182 969682079 /nfs/dbraw/zinc/68/20/79/969682079.db2.gz AAZCGORDFVLCJZ-CJNGLKHVSA-N -1 0 331.416 3.008 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Oc1ccc(SC(F)(F)F)cc1 ZINC001609696334 970457686 /nfs/dbraw/zinc/45/76/86/970457686.db2.gz OJIKYGWAVSJRGG-LBPRGKRZSA-N -1 0 333.287 3.208 20 30 EGEDRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)Nc1cccc(OCCCC#N)c1 ZINC001603314593 972615883 /nfs/dbraw/zinc/61/58/83/972615883.db2.gz FHVMRPUKEAGZKP-UHFFFAOYSA-N -1 0 344.411 3.445 20 30 EGEDRM Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)SCCC(=O)[O-])c1 ZINC001605151721 972838097 /nfs/dbraw/zinc/83/80/97/972838097.db2.gz WLZYAYGKZUUGCM-AWEZNQCLSA-N -1 0 334.441 3.147 20 30 EGEDRM Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)[C@](C)(C#N)CC(=O)[O-] ZINC001605397290 973373248 /nfs/dbraw/zinc/37/32/48/973373248.db2.gz DTVJMBHJXPFAFV-BZNIZROVSA-N -1 0 337.445 3.099 20 30 EGEDRM O=C([O-])CC[C@@H]1Cc2ccccc2N(C(=O)C#Cc2ccccc2)C1 ZINC001606135603 973381965 /nfs/dbraw/zinc/38/19/65/973381965.db2.gz HWYYQXMTVJKEQZ-QGZVFWFLSA-N -1 0 333.387 3.108 20 30 EGEDRM N#CC1(CCCN2CC[C@H](C(=O)[O-])c3ccccc32)CCOCC1 ZINC001605576394 973846313 /nfs/dbraw/zinc/84/63/13/973846313.db2.gz MNTGDEWHYMYOLF-INIZCTEOSA-N -1 0 328.412 3.165 20 30 EGEDRM N#CCCCOc1cccc(NC(=O)[C@H](C(=O)[O-])C2CCCC2)c1 ZINC001605581719 973861283 /nfs/dbraw/zinc/86/12/83/973861283.db2.gz JJOTZXJPTZRQNQ-MRXNPFEDSA-N -1 0 330.384 3.199 20 30 EGEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CC=C(C(=O)[O-])C1 ZINC001592225751 977412827 /nfs/dbraw/zinc/41/28/27/977412827.db2.gz MSIIQTICJUXWJW-YPMHNXCESA-N -1 0 345.424 3.376 20 30 EGEDRM O=C([O-])c1ccc(C=NOCc2ccc(F)cc2Br)[nH]1 ZINC000780287173 978785369 /nfs/dbraw/zinc/78/53/69/978785369.db2.gz KFSCAHRZIIZPNQ-UHFFFAOYSA-N -1 0 341.136 3.165 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1N=NCc1nccn1-c1ccccc1 ZINC000790170652 978798517 /nfs/dbraw/zinc/79/85/17/978798517.db2.gz CIAUHIDHZVBHEX-UHFFFAOYSA-N -1 0 336.351 3.025 20 30 EGEDRM O=C([O-])c1ccc(NN=Cc2c(F)cccc2Br)nc1 ZINC000794526780 978812736 /nfs/dbraw/zinc/81/27/36/978812736.db2.gz WIABAHHAEOQSON-UHFFFAOYSA-N -1 0 338.136 3.127 20 30 EGEDRM CCc1cnccc1C(=O)/C=C\c1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC000794699930 978817529 /nfs/dbraw/zinc/81/75/29/978817529.db2.gz DGSRHVKRTASLQR-OYVUYXNMSA-N -1 0 325.364 3.392 20 30 EGEDRM Cc1ccc(NC(=S)NN=C2CC[C@H](CC(=O)[O-])[C@H]2C)cc1C ZINC000814713372 978875133 /nfs/dbraw/zinc/87/51/33/978875133.db2.gz MMYNDHTUYMMXDI-CHWSQXEVSA-N -1 0 333.457 3.467 20 30 EGEDRM CC(=NNc1ccnc(Br)c1)c1cc(C(=O)[O-])cs1 ZINC000814904410 978897470 /nfs/dbraw/zinc/89/74/70/978897470.db2.gz HXNBZEOEUIXNLM-UHFFFAOYSA-N -1 0 340.202 3.440 20 30 EGEDRM CC(C)[C@@H](C#N)Oc1ccc(-c2cc(C(=O)[O-])ccc2CO)cc1 ZINC000849477302 979501009 /nfs/dbraw/zinc/50/10/09/979501009.db2.gz VQSSXENBGBNCNF-GOSISDBHSA-N -1 0 325.364 3.471 20 30 EGEDRM C=C(C)C[C@H](NC(=O)c1cc(C)n(Cc2ccccc2)c1C)C(=O)[O-] ZINC000864187384 979833931 /nfs/dbraw/zinc/83/39/31/979833931.db2.gz JZNUBSMRHBRKRT-SFHVURJKSA-N -1 0 340.423 3.302 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)[C@@H](C)Sc1ccc(Cl)cc1)C(=O)[O-] ZINC000864188610 979837124 /nfs/dbraw/zinc/83/71/24/979837124.db2.gz UGIONMDSLVWWQM-ZWNOBZJWSA-N -1 0 327.833 3.356 20 30 EGEDRM N#C[C@]1(C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)CC2CCC1CC2 ZINC000902015172 980692026 /nfs/dbraw/zinc/69/20/26/980692026.db2.gz HTKDASSWDQBFPY-ZODCSVSLSA-N -1 0 338.407 3.136 20 30 EGEDRM CC[C@@H](OC1CCCC1)C(=O)OCC#Cc1cccc(C(=O)[O-])c1 ZINC001595355671 980704603 /nfs/dbraw/zinc/70/46/03/980704603.db2.gz INGXLVSVESEYHL-QGZVFWFLSA-N -1 0 330.380 3.017 20 30 EGEDRM C=C[C@@H](CC)CC(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000907581220 981195962 /nfs/dbraw/zinc/19/59/62/981195962.db2.gz HBPDDPUHQDRYQT-LBPRGKRZSA-N -1 0 326.396 3.353 20 30 EGEDRM CC[C@H](C(=O)[O-])N(C(=O)c1sccc1CC#N)c1ccccc1 ZINC001594769842 981733202 /nfs/dbraw/zinc/73/32/02/981733202.db2.gz BECXKHGQFLPZOY-CQSZACIVSA-N -1 0 328.393 3.324 20 30 EGEDRM CC[C@@](C)(C#N)C(=O)Nc1nc(-c2ccccc2)c(CC(=O)[O-])s1 ZINC001594778691 981780456 /nfs/dbraw/zinc/78/04/56/981780456.db2.gz YYNVZVCPNRIYKA-KRWDZBQOSA-N -1 0 343.408 3.316 20 30 EGEDRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)/C=C\c1ccccc1C#N ZINC001594779512 981781315 /nfs/dbraw/zinc/78/13/15/981781315.db2.gz AOALBXDUXYISCX-GDWUOILNSA-N -1 0 326.396 3.063 20 30 EGEDRM C=CCCC[C@H](NC(=O)CCc1ccc2ccccc2n1)C(=O)[O-] ZINC000910914484 982161780 /nfs/dbraw/zinc/16/17/80/982161780.db2.gz HXNHPDQVFRLSSY-KRWDZBQOSA-N -1 0 326.396 3.093 20 30 EGEDRM C=CCCC[C@H](NC(=O)Cc1nc(-c2ccsc2)oc1C)C(=O)[O-] ZINC000910914700 982162398 /nfs/dbraw/zinc/16/23/98/982162398.db2.gz NCKRVJBOXFRIPD-ZDUSSCGKSA-N -1 0 348.424 3.180 20 30 EGEDRM C[C@H](Cc1ccc(NC(=O)[C@]2(C#N)CC23CCCC3)cc1)C(=O)[O-] ZINC000923075902 982708249 /nfs/dbraw/zinc/70/82/49/982708249.db2.gz MDROUOWCYPBLRT-BFUOFWGJSA-N -1 0 326.396 3.362 20 30 EGEDRM N#CC1(C(=O)Nc2ccc(N3CCCCC3)c(C(=O)[O-])c2)CCC1 ZINC000923081443 982712390 /nfs/dbraw/zinc/71/23/90/982712390.db2.gz SNIPASKPZDMMCO-UHFFFAOYSA-N -1 0 327.384 3.007 20 30 EGEDRM C=CCO[C@@H]1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2Cl)C1 ZINC001118253064 982947935 /nfs/dbraw/zinc/94/79/35/982947935.db2.gz GONNFYSMMILZHG-YGRLFVJLSA-N -1 0 330.211 3.396 20 30 EGEDRM C#C[C@@H](NC(=O)C1(C(=O)[O-])CC2(CCC2)C1)c1ccc(Cl)cc1 ZINC001588372660 983333080 /nfs/dbraw/zinc/33/30/80/983333080.db2.gz QEMDAGPAWLHNNM-CQSZACIVSA-N -1 0 331.799 3.166 20 30 EGEDRM C#C[C@@H](N[C@H](Cc1ccc(Cl)cc1)C(=O)[O-])c1ccc(F)cc1 ZINC001588376148 983349843 /nfs/dbraw/zinc/34/98/43/983349843.db2.gz BPSUFQJDTISNCJ-IAGOWNOFSA-N -1 0 331.774 3.439 20 30 EGEDRM C#C[C@@H](Nc1ncc(C(=O)[O-])cc1[N+](=O)[O-])c1ccc(Cl)cc1F ZINC001588376813 983353927 /nfs/dbraw/zinc/35/39/27/983353927.db2.gz XECFAARAMCTOPZ-GFCCVEGCSA-N -1 0 349.705 3.267 20 30 EGEDRM C#C[C@@H]1CCCCN1C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC001588381834 983367810 /nfs/dbraw/zinc/36/78/10/983367810.db2.gz BKSRZWXFYUETMN-OAHLLOKOSA-N -1 0 332.425 3.024 20 30 EGEDRM C#CCC(C)(C)C(=O)OCc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001588390541 983394855 /nfs/dbraw/zinc/39/48/55/983394855.db2.gz XJJXEODDCGRZSQ-UHFFFAOYSA-N -1 0 327.336 3.133 20 30 EGEDRM C#CC[C@H](CCOC)NC(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001588393449 983398373 /nfs/dbraw/zinc/39/83/73/983398373.db2.gz FWUXBCMEJLWHEQ-CYBMUJFWSA-N -1 0 340.379 3.088 20 30 EGEDRM C#CC[C@@H](NC(=O)/C(=C\c1ccc(F)cc1)c1cccs1)C(=O)[O-] ZINC001588393676 983399868 /nfs/dbraw/zinc/39/98/68/983399868.db2.gz FCEXWORJUXNNSW-QKXCFHHRSA-N -1 0 343.379 3.021 20 30 EGEDRM C=C(C)[C@H](NC(=O)c1ccoc1CC(=O)[O-])c1ccc(F)c(F)c1 ZINC001588534059 983585062 /nfs/dbraw/zinc/58/50/62/983585062.db2.gz DVLSFPJYDFICMX-INIZCTEOSA-N -1 0 335.306 3.232 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)c1ccc(Br)c(F)c1C)C(=O)[O-] ZINC001588547080 983618457 /nfs/dbraw/zinc/61/84/57/983618457.db2.gz SVDSMIAIMHTWNO-LLVKDONJSA-N -1 0 344.180 3.046 20 30 EGEDRM C=C(C)C[C@H](NS(=O)(=O)c1cc(C(C)C)ccc1Cl)C(=O)[O-] ZINC001588555971 983638243 /nfs/dbraw/zinc/63/82/43/983638243.db2.gz YLDLCCDEPKSAEO-ZDUSSCGKSA-N -1 0 345.848 3.161 20 30 EGEDRM C=C(C)COc1cccc(NC(=O)N2C[C@@H](C)[C@H](CC(=O)[O-])C2)c1 ZINC001588573517 983653147 /nfs/dbraw/zinc/65/31/47/983653147.db2.gz OMGJCOOYXVNHJZ-ZIAGYGMSSA-N -1 0 332.400 3.216 20 30 EGEDRM C=C(C)Cn1c([C@@H]2C[C@@H]2C)nnc1N1CCC[C@H](CCC(=O)[O-])C1 ZINC001588592239 983676406 /nfs/dbraw/zinc/67/64/06/983676406.db2.gz UKVCSJPTXSLSQZ-RRFJBIMHSA-N -1 0 332.448 3.059 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N1CC[C@H]1c1ccc(Br)cc1 ZINC001588614071 983706159 /nfs/dbraw/zinc/70/61/59/983706159.db2.gz KQPXNSGBLNNQFY-ZDUSSCGKSA-N -1 0 338.201 3.144 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccnc(OCc2ccccc2)c1 ZINC001588633493 983749433 /nfs/dbraw/zinc/74/94/33/983749433.db2.gz JKLBTAYXWPUJAC-UHFFFAOYSA-N -1 0 326.352 3.020 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1cccc(-c2cn3c(n2)CCCC3)c1 ZINC001588634052 983751740 /nfs/dbraw/zinc/75/17/40/983751740.db2.gz QFRBSQSGQPJDTD-UHFFFAOYSA-N -1 0 339.395 3.246 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(OCCc2ccccc2)nc1 ZINC001588634437 983753166 /nfs/dbraw/zinc/75/31/66/983753166.db2.gz VGTIMGMPBRYXQZ-UHFFFAOYSA-N -1 0 340.379 3.063 20 30 EGEDRM C=C[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-])c1ccccc1 ZINC001588663768 983796757 /nfs/dbraw/zinc/79/67/57/983796757.db2.gz KMYXHBNCPFZVRZ-LPHOPBHVSA-N -1 0 348.402 3.250 20 30 EGEDRM C=CC(C)(C)CCCNC(=O)Nc1ccc2cnn(CC(=O)[O-])c2c1 ZINC001588673181 983828903 /nfs/dbraw/zinc/82/89/03/983828903.db2.gz LWSHJSJHUGXSLD-UHFFFAOYSA-N -1 0 344.415 3.235 20 30 EGEDRM C=CC(C)(C)CCCNC(=O)N1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC001588673194 983828982 /nfs/dbraw/zinc/82/89/82/983828982.db2.gz MIHTXCKDQVNDGS-AWEZNQCLSA-N -1 0 336.354 3.027 20 30 EGEDRM C=CC(C)(C)CCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001588677103 983833185 /nfs/dbraw/zinc/83/31/85/983833185.db2.gz QPRDHASIUOKXEP-UHFFFAOYSA-N -1 0 345.848 3.309 20 30 EGEDRM C=C[C@@H](CC(=O)N[C@H](C(=O)[O-])c1cccc(OC)c1)c1ccccc1 ZINC001588690620 983875424 /nfs/dbraw/zinc/87/54/24/983875424.db2.gz FMZWTKJIXLXVSS-LIRRHRJNSA-N -1 0 339.391 3.297 20 30 EGEDRM C=CC1(CC(=O)N2C[C@H](C(=O)[O-])Oc3ccccc32)CCCCC1 ZINC001588714822 983953370 /nfs/dbraw/zinc/95/33/70/983953370.db2.gz OIFBRFSRPONLML-MRXNPFEDSA-N -1 0 329.396 3.392 20 30 EGEDRM C=CC[C@H](CC)NC(=O)C(=O)Nc1cccc2cc(C(=O)[O-])sc21 ZINC001588735879 984020760 /nfs/dbraw/zinc/02/07/60/984020760.db2.gz NOSGJAHHONUCHQ-NSHDSACASA-N -1 0 346.408 3.009 20 30 EGEDRM C=CCC(F)(F)C(=O)N[C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001588742384 984032305 /nfs/dbraw/zinc/03/23/05/984032305.db2.gz BPUIKQIVBKCPJR-JTQLQIEISA-N -1 0 337.244 3.159 20 30 EGEDRM C=CC[C@H](OC(=O)/C(C)=C\c1ccc(Br)o1)C(=O)[O-] ZINC001588750252 984070757 /nfs/dbraw/zinc/07/07/57/984070757.db2.gz DIQGEYFLFGMGKO-DMEOUFDRSA-N -1 0 329.146 3.018 20 30 EGEDRM C=CCC1(C(=O)Nc2ncc(C(=O)[O-])c3ccccc32)CCOCC1 ZINC001588764676 984122950 /nfs/dbraw/zinc/12/29/50/984122950.db2.gz GDIJBCNQBWQTLA-UHFFFAOYSA-N -1 0 340.379 3.244 20 30 EGEDRM C=CCC1(NC(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)CCOCC1 ZINC001588767039 984127578 /nfs/dbraw/zinc/12/75/78/984127578.db2.gz FXECYANUXVDIOI-ZDUSSCGKSA-N -1 0 332.400 3.122 20 30 EGEDRM C=CC[C@H]1CCCN(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)C1 ZINC001588770791 984136301 /nfs/dbraw/zinc/13/63/01/984136301.db2.gz HHUHAVYYFAFFQU-AWEZNQCLSA-N -1 0 332.400 3.360 20 30 EGEDRM C=CC[C@@H]1CCN(C(=O)Nc2ccc(O[C@H](C)C(=O)[O-])c(F)c2)C1 ZINC001588772286 984141984 /nfs/dbraw/zinc/14/19/84/984141984.db2.gz CEZNYZDXWRLSBA-VXGBXAGGSA-N -1 0 336.363 3.108 20 30 EGEDRM C=CC[C@H]1N(C(=O)NCc2cc(C(=O)[O-])c(C)n2C)CCCC1(C)C ZINC001588773608 984148430 /nfs/dbraw/zinc/14/84/30/984148430.db2.gz BEUIULBBQZDWPN-MRXNPFEDSA-N -1 0 347.459 3.308 20 30 EGEDRM C=CC[C@H]1N(C(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)CCCC1(C)C ZINC001588773746 984149291 /nfs/dbraw/zinc/14/92/91/984149291.db2.gz HYEPLTKOFZGRFD-CQSZACIVSA-N -1 0 348.447 3.301 20 30 EGEDRM C=CCCC(C)(C)CNS(=O)(=O)c1c(C)csc1C(=O)[O-] ZINC001588777848 984158478 /nfs/dbraw/zinc/15/84/78/984158478.db2.gz MZVDQSPMNUUDFO-UHFFFAOYSA-N -1 0 331.459 3.025 20 30 EGEDRM C=CCCC[C@@H](NC(=O)C1(c2ccnc3ccccc32)CC1)C(=O)[O-] ZINC001588789543 984199278 /nfs/dbraw/zinc/19/92/78/984199278.db2.gz DWCUNIUUQCNFLI-QGZVFWFLSA-N -1 0 338.407 3.192 20 30 EGEDRM C=CCCC[C@@H](NC(=O)C1(c2ccc(OC)cc2)CCCC1)C(=O)[O-] ZINC001588789895 984202078 /nfs/dbraw/zinc/20/20/78/984202078.db2.gz MHAGAVCAVDYCTL-QGZVFWFLSA-N -1 0 345.439 3.433 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1cc(-c2cccc(F)c2)no1)C(=O)[O-] ZINC001588792708 984211880 /nfs/dbraw/zinc/21/18/80/984211880.db2.gz MERZFNLQXQXKBR-ZDUSSCGKSA-N -1 0 332.331 3.020 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1ccc(N(CC)C(C)C)cc1)C(=O)[O-] ZINC001588793422 984218887 /nfs/dbraw/zinc/21/88/87/984218887.db2.gz QIPLCKADXFSBTR-KRWDZBQOSA-N -1 0 332.444 3.461 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1ccn(-c2ccccc2Cl)n1)C(=O)[O-] ZINC001588793701 984221210 /nfs/dbraw/zinc/22/12/10/984221210.db2.gz XTIAAJYWWVZGHD-AWEZNQCLSA-N -1 0 347.802 3.065 20 30 EGEDRM C=CCNC(=O)Nc1ccc(N[C@H](C(=O)[O-])c2ccsc2)cc1 ZINC001588844188 984356682 /nfs/dbraw/zinc/35/66/82/984356682.db2.gz SIDDZOUUFSJFNG-AWEZNQCLSA-N -1 0 331.397 3.293 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001588885081 984465150 /nfs/dbraw/zinc/46/51/50/984465150.db2.gz KXIANKNHQJDNHG-UEXPRFDQSA-N -1 0 342.391 3.319 20 30 EGEDRM C=CCn1c(Cc2ccccc2)nnc1SC/C(C)=C/C(=O)[O-] ZINC001588904432 984529517 /nfs/dbraw/zinc/52/95/17/984529517.db2.gz ROGUFVRPHFDWRA-JLHYYAGUSA-N -1 0 329.425 3.178 20 30 EGEDRM C=CCn1ncc2ccc(NC(=O)c3ccc(/C=C/C(=O)[O-])o3)cc21 ZINC001588913058 984553828 /nfs/dbraw/zinc/55/38/28/984553828.db2.gz VWBYDOKMARZFBJ-SOFGYWHQSA-N -1 0 337.335 3.165 20 30 EGEDRM CCOC(=O)c1[nH]c(C)c(/C=C\C(=O)c2cc(C(=O)[O-])cs2)c1C ZINC001596691570 984806639 /nfs/dbraw/zinc/80/66/39/984806639.db2.gz KMZLCVMKJWYFQN-WAYWQWQTSA-N -1 0 347.392 3.464 20 30 EGEDRM CCOC(=O)c1ccc(C#N)c(SCc2cc(C(=O)[O-])c(C)o2)n1 ZINC001596714324 984941478 /nfs/dbraw/zinc/94/14/78/984941478.db2.gz SRJAGJMVJMYIRO-UHFFFAOYSA-N -1 0 346.364 3.022 20 30 EGEDRM Cc1c2cc(C#N)ccc2sc1C(=O)N1CCC(C(=O)[O-])CC1 ZINC001599976018 986091554 /nfs/dbraw/zinc/09/15/54/986091554.db2.gz GEQUWBQSXSPSED-UHFFFAOYSA-N -1 0 328.393 3.018 20 30 EGEDRM C[C@H](C#N)CN(C(=O)Nc1cccc(CSCC(=O)[O-])c1)C1CC1 ZINC001589330130 986170158 /nfs/dbraw/zinc/17/01/58/986170158.db2.gz YYKLCUGLFGSXCJ-GFCCVEGCSA-N -1 0 347.440 3.160 20 30 EGEDRM C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)CC1(C(=O)[O-])CC1 ZINC001589331615 986188869 /nfs/dbraw/zinc/18/88/69/986188869.db2.gz JRSJLZGYRCTMMP-LLVKDONJSA-N -1 0 326.318 3.284 20 30 EGEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCC[C@H]1C(=O)[O-] ZINC001589331672 986190135 /nfs/dbraw/zinc/19/01/35/986190135.db2.gz LPXLWMWSFVPGDB-XQQFMLRXSA-N -1 0 347.440 3.313 20 30 EGEDRM C[C@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001589335340 986208905 /nfs/dbraw/zinc/20/89/05/986208905.db2.gz OUSWFFVSDOETRD-LLVKDONJSA-N -1 0 325.324 3.320 20 30 EGEDRM C[C@H]1CSCC1N=Nc1cc(C(=O)[O-])ccc1Br ZINC001594609345 986595016 /nfs/dbraw/zinc/59/50/16/986595016.db2.gz CFKALOXCJRNTLN-ZETCQYMHSA-N -1 0 329.219 3.298 20 30 EGEDRM C[C@H](C(=O)[O-])c1cccc(NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)c1 ZINC001589523001 987184610 /nfs/dbraw/zinc/18/46/10/987184610.db2.gz RNTVNPYLNWCVOB-SUMWQHHRSA-N -1 0 347.374 3.067 20 30 EGEDRM CC[C@@H](C#N)[C@@H](OC(=O)c1cc(C(=O)[O-])ccn1)c1cccs1 ZINC001594722853 987217461 /nfs/dbraw/zinc/21/74/61/987217461.db2.gz XGIWKRNAISFECR-IINYFYTJSA-N -1 0 330.365 3.289 20 30 EGEDRM C[C@H](C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(F)cc1F ZINC001589540076 987238850 /nfs/dbraw/zinc/23/88/50/987238850.db2.gz HOUIQFOINJHHOS-QFYYESIMSA-N -1 0 345.301 3.309 20 30 EGEDRM CCc1[nH]c(C(=O)Nc2ccc(Cl)cc2C#N)c(C)c1C(=O)[O-] ZINC001597373701 987558423 /nfs/dbraw/zinc/55/84/23/987558423.db2.gz XQFZPQAMFMLLFL-UHFFFAOYSA-N -1 0 331.759 3.361 20 30 EGEDRM CC(C)(C(=O)Oc1cccc(CC(=O)[O-])c1)c1cc(F)cc(C#N)c1 ZINC001589682242 987718365 /nfs/dbraw/zinc/71/83/65/987718365.db2.gz RPLJZHHQOHSDKM-UHFFFAOYSA-N -1 0 341.338 3.208 20 30 EGEDRM CCc1cc(C(=O)[O-])ccc1NC(=O)NCCc1ccc(C#N)cc1 ZINC001597459862 987887838 /nfs/dbraw/zinc/88/78/38/987887838.db2.gz OGXIVFKFEBDXTI-UHFFFAOYSA-N -1 0 337.379 3.183 20 30 EGEDRM CCc1ccc([C@@H](C#N)NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)cc1 ZINC001597508361 988087556 /nfs/dbraw/zinc/08/75/56/988087556.db2.gz OFWMADQZSUXEKF-PBPGXSGUSA-N -1 0 340.423 3.355 20 30 EGEDRM CCc1ccc([C@H](C#N)N(C)C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC001597509076 988089529 /nfs/dbraw/zinc/08/95/29/988089529.db2.gz WPVXCTZVPOOGBK-BBWFWOEESA-N -1 0 328.412 3.163 20 30 EGEDRM C[C@@H]1CN(c2c(C#N)cnc3c(Cl)cccc32)C[C@H]1CC(=O)[O-] ZINC001599868123 989305297 /nfs/dbraw/zinc/30/52/97/989305297.db2.gz BHWOJGLKVMABIA-GHMZBOCLSA-N -1 0 329.787 3.307 20 30 EGEDRM CC(C)(C)OC1CC(CC(=O)OCc2cccc(C(=O)[O-])c2C#N)C1 ZINC001590374363 989866898 /nfs/dbraw/zinc/86/68/98/989866898.db2.gz GEHLCXBBFVRCSU-UHFFFAOYSA-N -1 0 345.395 3.283 20 30 EGEDRM CN(C(=O)[C@H](C#N)CCc1ccccc1)[C@H](C(=O)[O-])c1ccccc1 ZINC001597989671 990075624 /nfs/dbraw/zinc/07/56/24/990075624.db2.gz CXKWRRSDOQEYJR-ROUUACIJSA-N -1 0 336.391 3.043 20 30 EGEDRM CC(C)(CSc1nccc(Oc2cccc(C#N)c2)n1)C(=O)[O-] ZINC001590820261 990654326 /nfs/dbraw/zinc/65/43/26/990654326.db2.gz LYWSFROWWNKNHQ-UHFFFAOYSA-N -1 0 329.381 3.343 20 30 EGEDRM CN(CC(C)(C)C#N)[C@@H](C(=O)[O-])c1ccccc1Br ZINC001598419753 991753871 /nfs/dbraw/zinc/75/38/71/991753871.db2.gz NDTINITUBCDWNU-GFCCVEGCSA-N -1 0 325.206 3.056 20 30 EGEDRM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001591342769 992321439 /nfs/dbraw/zinc/32/14/39/992321439.db2.gz JYRHPMJWCRFABK-DLBZAZTESA-N -1 0 328.412 3.044 20 30 EGEDRM CN(Cc1ccc(C2(C#N)CC2)cc1)c1ccc(OCC(=O)[O-])cc1 ZINC001598517367 992633230 /nfs/dbraw/zinc/63/32/30/992633230.db2.gz GCEXWLRAFXPAAB-UHFFFAOYSA-N -1 0 336.391 3.342 20 30 EGEDRM CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001591596696 992825129 /nfs/dbraw/zinc/82/51/29/992825129.db2.gz NDTREFSJGPYJHL-UHFFFAOYSA-N -1 0 338.367 3.094 20 30 EGEDRM COc1ccc(NC(=O)C[C@H](CC#N)c2ccccc2)c(C(=O)[O-])c1 ZINC001599589846 993665481 /nfs/dbraw/zinc/66/54/81/993665481.db2.gz PUOOEASEIDLCNN-AWEZNQCLSA-N -1 0 338.363 3.419 20 30 EGEDRM COc1cccc([C@H](OC(=O)CC2(C#N)CCCCC2)C(=O)[O-])c1 ZINC001599662746 994681107 /nfs/dbraw/zinc/68/11/07/994681107.db2.gz RUWBYJPUDKGRSA-INIZCTEOSA-N -1 0 331.368 3.228 20 30 EGEDRM COc1cccc(C=NOCc2ccc(C(=O)[O-])cc2F)c1OC ZINC001599663659 994694710 /nfs/dbraw/zinc/69/47/10/994694710.db2.gz BHOJEPNJLWMKTN-UHFFFAOYSA-N -1 0 333.315 3.092 20 30 EGEDRM C[C@@H](Oc1ccccc1/C=C1\CCc2scnc2C1=O)C(=O)[O-] ZINC001593645382 995973814 /nfs/dbraw/zinc/97/38/14/995973814.db2.gz RSTPAUWSTWXZNG-ZDIKFAODSA-N -1 0 329.377 3.208 20 30 EGEDRM C[C@@H](c1cccc(C#N)c1)N(C)Cc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001593699263 996169584 /nfs/dbraw/zinc/16/95/84/996169584.db2.gz SOCSWEPWUSKNAY-LBPRGKRZSA-N -1 0 334.379 3.326 20 30 EGEDRM CC1(C#N)CCN(Cc2ccc(C(=O)[O-])c(Br)c2)CC1 ZINC001593743446 996368610 /nfs/dbraw/zinc/36/86/10/996368610.db2.gz ZIWJJGCRKOVNEF-UHFFFAOYSA-N -1 0 337.217 3.273 20 30 EGEDRM COC(=O)Nc1cccc(NCc2cccc(C(=O)[O-])c2C#N)c1 ZINC001598887662 996930265 /nfs/dbraw/zinc/93/02/65/996930265.db2.gz BWTMKMZKADTAAY-UHFFFAOYSA-N -1 0 325.324 3.047 20 30 EGEDRM COc1ccc(C(=O)[O-])c2c1CN(Cc1ccc(C#N)c(C)c1)CC2 ZINC001599500854 997117377 /nfs/dbraw/zinc/11/73/77/997117377.db2.gz BYSFRDOTBUEFIL-UHFFFAOYSA-N -1 0 336.391 3.132 20 30 EGEDRM COc1ccc([C@@H](NC(=O)CCCCCC#N)C(=O)[O-])cc1Cl ZINC001599515361 997374446 /nfs/dbraw/zinc/37/44/46/997374446.db2.gz FBAYEHDZKASLFG-OAHLLOKOSA-N -1 0 338.791 3.065 20 30 EGEDRM COc1cc(NC(=O)C[C@@H](CC#N)c2ccccc2)ccc1C(=O)[O-] ZINC001599430796 997755625 /nfs/dbraw/zinc/75/56/25/997755625.db2.gz ADOVYIHDZACKSY-CQSZACIVSA-N -1 0 338.363 3.419 20 30 EGEDRM COCCCOc1cccc(C=NNc2cccc(F)c2C(=O)[O-])c1 ZINC001599228581 997803988 /nfs/dbraw/zinc/80/39/88/997803988.db2.gz MHOVNLCYRDFEIO-UHFFFAOYSA-N -1 0 346.358 3.385 20 30 EGEDRM COCCOc1ccc(C=NNc2ccc(C)c(C(=O)[O-])c2)cc1 ZINC001599257910 998334940 /nfs/dbraw/zinc/33/49/40/998334940.db2.gz DRIWSVSHRICGOH-UHFFFAOYSA-N -1 0 328.368 3.164 20 30 EGEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N/Cc2ccc3c(c2)OCO3)c1[O-] ZINC000025257584 212469596 /nfs/dbraw/zinc/46/95/96/212469596.db2.gz KAJBQZPGMMGDAZ-REZTVBANSA-N -1 0 334.715 3.302 20 30 EGEDRM CCN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000173826455 144049563 /nfs/dbraw/zinc/04/95/63/144049563.db2.gz HSJFRGRTXSMGKS-LBPRGKRZSA-N -1 0 339.351 3.395 20 30 EGEDRM N#Cc1cc([N-]S(=O)(=O)c2ccc(F)c(F)c2)nc2ccccc12 ZINC000351219880 144259974 /nfs/dbraw/zinc/25/99/74/144259974.db2.gz HXRRGYATCNPQSN-UHFFFAOYSA-N -1 0 345.330 3.185 20 30 EGEDRM CC(C)Oc1cc(F)ccc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000351748440 144301007 /nfs/dbraw/zinc/30/10/07/144301007.db2.gz OOGBCRYOBVIBGN-UHFFFAOYSA-N -1 0 334.372 3.285 20 30 EGEDRM Cc1cccnc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000337128352 163137308 /nfs/dbraw/zinc/13/73/08/163137308.db2.gz HUHNDQFIDRTAQB-UHFFFAOYSA-N -1 0 341.314 3.081 20 30 EGEDRM CCOC(=O)c1cnc(/C=C\c2ccc(C#N)s2)c(C(=O)[O-])c1 ZINC000340952439 163701381 /nfs/dbraw/zinc/70/13/81/163701381.db2.gz JSRUJNHEJLQQRE-WAYWQWQTSA-N -1 0 328.349 3.060 20 30 EGEDRM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000353039049 165594085 /nfs/dbraw/zinc/59/40/85/165594085.db2.gz WCGACWBZVMZRNS-UHFFFAOYSA-N -1 0 341.186 3.023 20 30 EGEDRM Cc1c([N-]S(=O)(=O)c2ccc(C#N)nc2)onc1C1CCCCC1 ZINC000284075328 269906240 /nfs/dbraw/zinc/90/62/40/269906240.db2.gz MZIRCSOOZYPUMT-UHFFFAOYSA-N -1 0 346.412 3.098 20 30 EGEDRM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)n[nH]1 ZINC000435725581 270051270 /nfs/dbraw/zinc/05/12/70/270051270.db2.gz YSEJXLXYFHASDJ-NSHDSACASA-N -1 0 332.429 3.294 20 30 EGEDRM Cc1ccc(-c2n[n-]c(=NC(=O)c3ccc(C#N)s3)s2)c(C)c1 ZINC000486705812 270056162 /nfs/dbraw/zinc/05/61/62/270056162.db2.gz CPFYRSIBUZICLI-UHFFFAOYSA-N -1 0 340.433 3.429 20 30 EGEDRM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2n[nH]c(C3CC3)c2C#N)cc1 ZINC000331430392 265742387 /nfs/dbraw/zinc/74/23/87/265742387.db2.gz CBOJSHBJYGSZFF-UHFFFAOYSA-N -1 0 344.440 3.257 20 30 EGEDRM CO[C@H](C)CS(=O)(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000193344057 266025745 /nfs/dbraw/zinc/02/57/45/266025745.db2.gz JVRUBAGSZXFOGI-CYBMUJFWSA-N -1 0 346.408 3.127 20 30 EGEDRM CCN(c1ccc([N-]S(=O)(=O)c2ccc(C#N)o2)cc1)C(C)C ZINC000288518779 266141800 /nfs/dbraw/zinc/14/18/00/266141800.db2.gz GHIDIPXQASSMJG-UHFFFAOYSA-N -1 0 333.413 3.187 20 30 EGEDRM CC(C)(C)c1ccc([N-]S(=O)(=O)c2ccccc2C#N)c(O)c1 ZINC000443530810 266876712 /nfs/dbraw/zinc/87/67/12/266876712.db2.gz OZDFJLUBFIZNEE-UHFFFAOYSA-N -1 0 330.409 3.362 20 30 EGEDRM CCCN=c1[n-]nc(Sc2cc(C)c([N+](=O)[O-])cc2C#N)s1 ZINC000413035989 267020036 /nfs/dbraw/zinc/02/00/36/267020036.db2.gz DHUUALBPIKPUSI-UHFFFAOYSA-N -1 0 335.414 3.021 20 30 EGEDRM Cc1cc([N+](=O)[O-])c(C)cc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000427771338 268020816 /nfs/dbraw/zinc/02/08/16/268020816.db2.gz PHGQLUGPBMHICE-UHFFFAOYSA-N -1 0 349.343 3.023 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccsc2)c(C(F)(F)F)c1 ZINC000438774563 268260972 /nfs/dbraw/zinc/26/09/72/268260972.db2.gz JLAKXHBRZIMZMX-UHFFFAOYSA-N -1 0 332.328 3.439 20 30 EGEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1ccc(Br)cc1 ZINC000103503803 303166041 /nfs/dbraw/zinc/16/60/41/303166041.db2.gz UBLXHYVFVUVZBF-AWEZNQCLSA-N -1 0 349.228 3.220 20 30 EGEDRM CCCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2F)cc1 ZINC000133059737 307666733 /nfs/dbraw/zinc/66/67/33/307666733.db2.gz YUHQRAYTDLJTNC-UHFFFAOYSA-N -1 0 334.372 3.287 20 30 EGEDRM N#Cc1ccc(CSc2n[n-]c(=NC3CCCCC3)s2)nc1 ZINC000516702367 312338641 /nfs/dbraw/zinc/33/86/41/312338641.db2.gz MTFRWKANGBNIPS-UHFFFAOYSA-N -1 0 331.470 3.264 20 30 EGEDRM CC[C@@](C)([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C(F)(F)F ZINC000547821034 314943586 /nfs/dbraw/zinc/94/35/86/314943586.db2.gz QPSCEKKMVYOWBX-LLVKDONJSA-N -1 0 340.754 3.221 20 30 EGEDRM CC(C)c1ccc(C[C@@H](C)NS(=O)(=O)c2ccc(C#N)o2)cc1 ZINC000553869008 315285819 /nfs/dbraw/zinc/28/58/19/315285819.db2.gz INDCICJQSAPNNY-CYBMUJFWSA-N -1 0 332.425 3.184 20 30 EGEDRM N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)CC1(C(=O)[O-])CCCCC1 ZINC000581000100 325319225 /nfs/dbraw/zinc/31/92/25/325319225.db2.gz KNMHRBGZKWODAV-KRWDZBQOSA-N -1 0 340.423 3.477 20 30 EGEDRM CC(C)(CC(=O)Nc1nc(C#N)c(C#N)[n-]1)Cc1ccc(Cl)cc1 ZINC000189597364 455221439 /nfs/dbraw/zinc/22/14/39/455221439.db2.gz GJVGWMSMSALRFW-UHFFFAOYSA-N -1 0 341.802 3.404 20 30 EGEDRM COc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000183101584 455229322 /nfs/dbraw/zinc/22/93/22/455229322.db2.gz RJDWXJRZZOAVFY-UHFFFAOYSA-N -1 0 340.763 3.160 20 30 EGEDRM C=CCC1(NC(=O)[C@@](C)(CC(=O)[O-])C2CCCCC2)CCOCC1 ZINC000634928779 460610976 /nfs/dbraw/zinc/61/09/76/460610976.db2.gz WJPJYICMOTURIX-SFHVURJKSA-N -1 0 337.460 3.289 20 30 EGEDRM C=C(C)COc1cccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])c1 ZINC000066965671 453890576 /nfs/dbraw/zinc/89/05/76/453890576.db2.gz AEDFZBNIFPHRST-GFOFROLCSA-N -1 0 327.380 3.103 20 30 EGEDRM N#Cc1ccc(OC(F)F)c([N-]S(=O)(=O)c2ccccc2F)c1 ZINC000076195370 453978276 /nfs/dbraw/zinc/97/82/76/453978276.db2.gz IMCWQJQZIJFYPQ-UHFFFAOYSA-N -1 0 342.298 3.100 20 30 EGEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1c(F)cccc1F ZINC000057125721 454104187 /nfs/dbraw/zinc/10/41/87/454104187.db2.gz YHUICNJDATVCNQ-UHFFFAOYSA-N -1 0 338.335 3.036 20 30 EGEDRM Cc1nn(C(F)F)c(C)c1CC(=O)[N-]S(=O)(=O)C1CCCCC1 ZINC000058081769 454163116 /nfs/dbraw/zinc/16/31/16/454163116.db2.gz AMHXJSSZMVMBDI-UHFFFAOYSA-N -1 0 349.403 3.057 20 30 EGEDRM COc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(C)cc2C)cc1OC ZINC000061110844 454328289 /nfs/dbraw/zinc/32/82/89/454328289.db2.gz RXFWXPSDCRZKCR-UHFFFAOYSA-N -1 0 349.408 3.014 20 30 EGEDRM Cc1cccc(S(=O)(=O)[N-]C(=O)C=Cc2ccccc2[N+](=O)[O-])c1 ZINC000073121473 454397057 /nfs/dbraw/zinc/39/70/57/454397057.db2.gz QKNUOIPJAFMACO-KTKRTIGZSA-N -1 0 346.364 3.262 20 30 EGEDRM Cc1cccc(S(=O)(=O)[N-]C(=O)C=Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000073121415 454397201 /nfs/dbraw/zinc/39/72/01/454397201.db2.gz CLXUPKBZFFBNER-JXMROGBWSA-N -1 0 346.364 3.262 20 30 EGEDRM Cc1ccc(-c2ccc(C(=O)[N-]S(=O)(=O)CCCC#N)s2)o1 ZINC000097081491 454401539 /nfs/dbraw/zinc/40/15/39/454401539.db2.gz HEZOPVLWIPEWGH-UHFFFAOYSA-N -1 0 338.410 3.255 20 30 EGEDRM N#C[C@@H]1CN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])CCO1 ZINC000133389556 454419823 /nfs/dbraw/zinc/41/98/23/454419823.db2.gz LVVRJAYUDHJTNY-CQSZACIVSA-N -1 0 342.782 3.077 20 30 EGEDRM O=C(C=Cc1ccc(Cl)nc1)[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000091436912 454435266 /nfs/dbraw/zinc/43/52/66/454435266.db2.gz UHUFTPMEXYMIPI-KRXBUXKQSA-N -1 0 340.763 3.233 20 30 EGEDRM C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC000107345174 454753226 /nfs/dbraw/zinc/75/32/26/454753226.db2.gz WDDXASGRYQCNFB-MRVPVSSYSA-N -1 0 348.193 3.277 20 30 EGEDRM CC(C)C[C@H](C)N(C)C(=O)Cn1[n-]c(C(C)(C)C)c(CCC#N)c1=O ZINC000153486051 454799111 /nfs/dbraw/zinc/79/91/11/454799111.db2.gz AGCJTVSQLNRAAX-AWEZNQCLSA-N -1 0 348.491 3.235 20 30 EGEDRM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(C#N)cn2)c(C)c1C ZINC000110122010 454841413 /nfs/dbraw/zinc/84/14/13/454841413.db2.gz OJTQBZARCNFZDG-UHFFFAOYSA-N -1 0 329.425 3.296 20 30 EGEDRM C=CCn1c(=O)c2ccc(C(=O)N(CC)CC3CC3)cc2[n-]c1=S ZINC000112198574 454882732 /nfs/dbraw/zinc/88/27/32/454882732.db2.gz GZHXWMUIFWLSAW-UHFFFAOYSA-N -1 0 343.452 3.117 20 30 EGEDRM CC(C)c1csc(C(C#N)=C([O-])c2cccc3[nH]c(=O)oc32)n1 ZINC000154674339 454917957 /nfs/dbraw/zinc/91/79/57/454917957.db2.gz VZCPIGZCONZCJX-SNVBAGLBSA-N -1 0 327.365 3.191 20 30 EGEDRM CC(C)c1nc(C([O-])=C(C#N)c2nnc3n2CCCCC3)cs1 ZINC000171146483 455036761 /nfs/dbraw/zinc/03/67/61/455036761.db2.gz JXFHOCBNQSGWTI-LLVKDONJSA-N -1 0 329.429 3.074 20 30 EGEDRM C=C[C@@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000155808460 455047977 /nfs/dbraw/zinc/04/79/77/455047977.db2.gz CBFYTKFVEGTWSM-CQSZACIVSA-N -1 0 344.436 3.100 20 30 EGEDRM N#C[C@@H](C(=O)c1ccc(OCC(F)F)nc1)c1nc2ccccc2[nH]1 ZINC000155863653 455054528 /nfs/dbraw/zinc/05/45/28/455054528.db2.gz VWMFFPFMXAGROL-NSHDSACASA-N -1 0 342.305 3.092 20 30 EGEDRM CCCCOc1ccc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)c(Cl)c1 ZINC000184462804 455384248 /nfs/dbraw/zinc/38/42/48/455384248.db2.gz YMWUINMGBBOGMI-UHFFFAOYSA-N -1 0 343.774 3.238 20 30 EGEDRM Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2O[C@@H](C)C#N)s1 ZINC000292239135 455605033 /nfs/dbraw/zinc/60/50/33/455605033.db2.gz BYPXWJGQDFZAKR-NSHDSACASA-N -1 0 336.438 3.457 20 30 EGEDRM C=C(C)C[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)[O-] ZINC000192902360 455714695 /nfs/dbraw/zinc/71/46/95/455714695.db2.gz RUFPWQUDAWBOPH-BZNIZROVSA-N -1 0 332.375 3.021 20 30 EGEDRM C=CCOCCCC(=O)N[C@@H](C[C@@H]1CCCc2ccccc21)C(=O)[O-] ZINC000263107043 456094116 /nfs/dbraw/zinc/09/41/16/456094116.db2.gz RNKFQWBICYHQGP-WMZOPIPTSA-N -1 0 345.439 3.049 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)cc1[O-] ZINC000188775319 456133449 /nfs/dbraw/zinc/13/34/49/456133449.db2.gz HLCKWPGTFJSGRM-UHFFFAOYSA-N -1 0 346.346 3.444 20 30 EGEDRM COc1ccc(C(=O)Nc2sc3c(c2C#N)[C@@H](C)[C@H](C)CC3)nn1 ZINC000298002199 456341263 /nfs/dbraw/zinc/34/12/63/456341263.db2.gz YWHHDDQUXDZEIC-ZJUUUORDSA-N -1 0 342.424 3.356 20 30 EGEDRM N#CC(=C([O-])c1scc2c1OCCO2)c1nc(C2CC2)cs1 ZINC000654999355 462446904 /nfs/dbraw/zinc/44/69/04/462446904.db2.gz CDDXPXRVEYXYQF-SECBINFHSA-N -1 0 332.406 3.343 20 30 EGEDRM N#CCc1ccc(C(=O)N=c2[n-]nc(/C=C/c3ccco3)s2)cc1 ZINC000343834380 456777473 /nfs/dbraw/zinc/77/74/73/456777473.db2.gz OUJUGFKNNSDDPV-BQYQJAHWSA-N -1 0 336.376 3.042 20 30 EGEDRM N#C[C@H](C(=O)c1cnn(CCF)c1)c1nc2ccccc2n1C(F)F ZINC000344854892 456868545 /nfs/dbraw/zinc/86/85/45/456868545.db2.gz RNQAWTWJNCPKQL-LLVKDONJSA-N -1 0 347.300 3.087 20 30 EGEDRM Cn1cc(C([O-])=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)nn1 ZINC000344856213 456868895 /nfs/dbraw/zinc/86/88/95/456868895.db2.gz UKDLHYGHHYXSAC-LLVKDONJSA-N -1 0 343.799 3.082 20 30 EGEDRM C[C@@H]1C[C@@H](C([O-])=Nc2cccc(-c3nnnn3C3CC3)c2)CC(=O)N1 ZINC000329355203 456878792 /nfs/dbraw/zinc/87/87/92/456878792.db2.gz VPYVTNUOGGXGLC-ZYHUDNBSSA-N -1 0 340.387 3.018 20 30 EGEDRM Cc1ccc(Br)cc1-c1n[n-]c(=NCCCC#N)s1 ZINC000345013474 456897165 /nfs/dbraw/zinc/89/71/65/456897165.db2.gz CXKNODGNFDZDQC-UHFFFAOYSA-N -1 0 337.246 3.414 20 30 EGEDRM C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F)C(F)(F)F ZINC000341894467 456990423 /nfs/dbraw/zinc/99/04/23/456990423.db2.gz FZWJKOTWXAAIDP-RXMQYKEDSA-N -1 0 339.232 3.074 20 30 EGEDRM CC[C@@H](OC)C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000345907873 457005962 /nfs/dbraw/zinc/00/59/62/457005962.db2.gz PURZWPINYNKZBE-GOSISDBHSA-N -1 0 337.375 3.148 20 30 EGEDRM COC(=O)c1cc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)cn1C ZINC000346410327 457041666 /nfs/dbraw/zinc/04/16/66/457041666.db2.gz HBYDCIMYBZWHNT-NSHDSACASA-N -1 0 345.424 3.056 20 30 EGEDRM CCc1ncc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)s1 ZINC000359095334 457053538 /nfs/dbraw/zinc/05/35/38/457053538.db2.gz BDPCDQFCCUQMRD-UHFFFAOYSA-N -1 0 335.454 3.307 20 30 EGEDRM Cc1ncoc1C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000362751498 457077765 /nfs/dbraw/zinc/07/77/65/457077765.db2.gz HDHWGWBBHQVYNX-UHFFFAOYSA-N -1 0 346.342 3.333 20 30 EGEDRM Cc1ccc(-c2nc(NC(=O)c3ccc(C(C)(C)C#N)cc3)n[nH]2)o1 ZINC000359840701 457135395 /nfs/dbraw/zinc/13/53/95/457135395.db2.gz ITJWODKBSYAPSE-UHFFFAOYSA-N -1 0 335.367 3.427 20 30 EGEDRM O=C(NCC1(O)CCCC1)c1cc(Br)cc(Cl)c1[O-] ZINC000331243115 457152402 /nfs/dbraw/zinc/15/24/02/457152402.db2.gz PZFOGTXEFUYPNR-UHFFFAOYSA-N -1 0 348.624 3.418 20 30 EGEDRM C=C[C@@H]1OCC[C@H]1NC(=O)c1cc(Cl)cc(Br)c1[O-] ZINC000331301497 457163014 /nfs/dbraw/zinc/16/30/14/457163014.db2.gz DZMQWXMHGWDUER-MNOVXSKESA-N -1 0 346.608 3.456 20 30 EGEDRM C=CCC[C@H](NC(=O)N=c1nc([C@@H](C)OC)[n-]s1)c1ccccc1 ZINC000350635970 457194924 /nfs/dbraw/zinc/19/49/24/457194924.db2.gz FQNDIWKEGFKSOA-OCCSQVGLSA-N -1 0 346.456 3.496 20 30 EGEDRM N#CC(=C([O-])c1cnc(Cc2ccc(F)cc2)s1)c1ccncn1 ZINC000354466649 457242116 /nfs/dbraw/zinc/24/21/16/457242116.db2.gz NCGTYXWRHHUKQB-CYBMUJFWSA-N -1 0 338.367 3.153 20 30 EGEDRM Cc1c(C([O-])=C(C#N)c2ccncn2)cnn1-c1cc(C)ccc1C ZINC000354468797 457243122 /nfs/dbraw/zinc/24/31/22/457243122.db2.gz PQONVEOXGQUHAG-HNNXBMFYSA-N -1 0 331.379 3.078 20 30 EGEDRM Cc1ccc(-c2cc(=NC(=O)C[C@H](CC#N)c3ccccc3)[nH][n-]2)o1 ZINC000360317401 457300698 /nfs/dbraw/zinc/30/06/98/457300698.db2.gz OEBLXPHIWYGQIF-HNNXBMFYSA-N -1 0 334.379 3.426 20 30 EGEDRM N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CC[C@H]3CCC[C@H]3C2)c(F)c1 ZINC000342611280 457401562 /nfs/dbraw/zinc/40/15/62/457401562.db2.gz XIHBJDGSAXMALM-FRRDWIJNSA-N -1 0 340.395 3.084 20 30 EGEDRM C=CCC[C@H](C(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1)c1ccccc1 ZINC000425298177 457486591 /nfs/dbraw/zinc/48/65/91/457486591.db2.gz IZMZBKVUEKFOFG-HOTGVXAUSA-N -1 0 341.411 3.231 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)c2cnc3ccccc3c2)cc1F ZINC000357469972 457548802 /nfs/dbraw/zinc/54/88/02/457548802.db2.gz JANYFKDNVYNJCZ-UHFFFAOYSA-N -1 0 327.340 3.046 20 30 EGEDRM C=CCN=c1[n-]nc(S[C@@H](C)C(=O)C2(c3ccccc3)CC2)s1 ZINC000361086058 457574532 /nfs/dbraw/zinc/57/45/32/457574532.db2.gz HLZYQFQRXPVGGN-LBPRGKRZSA-N -1 0 345.493 3.339 20 30 EGEDRM Cc1cn2cc(C([O-])=C(C#N)c3nc4c(cccc4C)[nH]3)sc2n1 ZINC000356420023 457617412 /nfs/dbraw/zinc/61/74/12/457617412.db2.gz OAOGTZSKKGTGCJ-LLVKDONJSA-N -1 0 335.392 3.379 20 30 EGEDRM CCCCn1ncc(C([O-])=C(C#N)c2cnc3ccccc3n2)c1C ZINC000361529024 457773312 /nfs/dbraw/zinc/77/33/12/457773312.db2.gz WXDUYEXHIHSYCT-CQSZACIVSA-N -1 0 333.395 3.425 20 30 EGEDRM CCn1nc(C(C)C)cc1C([O-])=C(C#N)c1cnc2ccccc2n1 ZINC000361531586 457775555 /nfs/dbraw/zinc/77/55/55/457775555.db2.gz SAMLWQLUGLJSHW-CYBMUJFWSA-N -1 0 333.395 3.460 20 30 EGEDRM CC(C)(C)c1[n-]n(Cc2cccc(F)c2C#N)c(=O)c1CCC#N ZINC000427510616 457995527 /nfs/dbraw/zinc/99/55/27/457995527.db2.gz AACVFBKFGDWOKU-UHFFFAOYSA-N -1 0 326.375 3.401 20 30 EGEDRM C=CCOc1ccccc1C(=O)Nc1cc(COC)cc(C(=O)[O-])c1 ZINC000427668787 458019238 /nfs/dbraw/zinc/01/92/38/458019238.db2.gz RRATVDZHYJRVQA-UHFFFAOYSA-N -1 0 341.363 3.348 20 30 EGEDRM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1cc(C#N)ccc1C ZINC000434630204 458025355 /nfs/dbraw/zinc/02/53/55/458025355.db2.gz ZSHKUFIKTGXPJM-UHFFFAOYSA-N -1 0 330.409 3.293 20 30 EGEDRM Cn1cc(C([O-])=C(C#N)c2cnc3ccccc3n2)c(-c2ccoc2)n1 ZINC000434648982 458029290 /nfs/dbraw/zinc/02/92/90/458029290.db2.gz ROGSLAQODPEKGV-CYBMUJFWSA-N -1 0 343.346 3.113 20 30 EGEDRM C=CCCCS(=O)(=O)[N-]c1cc(-c2cccc(F)c2F)[nH]n1 ZINC000427769440 458033035 /nfs/dbraw/zinc/03/30/35/458033035.db2.gz HWWOITOKHFOAEF-UHFFFAOYSA-N -1 0 327.356 3.063 20 30 EGEDRM C=CCCCS(=O)(=O)[N-]c1nc2ccc(OCC)cc2s1 ZINC000427782851 458035246 /nfs/dbraw/zinc/03/52/46/458035246.db2.gz OQHLCRUQWNTYRU-UHFFFAOYSA-N -1 0 326.443 3.403 20 30 EGEDRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)c1cccc(CC#N)c1 ZINC000362517960 458239041 /nfs/dbraw/zinc/23/90/41/458239041.db2.gz GHTQTMLWZVSQSD-UHFFFAOYSA-N -1 0 338.363 3.490 20 30 EGEDRM CC(=O)c1cc(C#N)ccc1NC(=O)CC1(CC(=O)[O-])CCCC1 ZINC000414085741 458314311 /nfs/dbraw/zinc/31/43/11/458314311.db2.gz GYECSCWXQBGOEQ-UHFFFAOYSA-N -1 0 328.368 3.125 20 30 EGEDRM N#Cc1cnc2ccc(OC(F)F)cc2c1NCCCCCC(=O)[O-] ZINC000416428990 458347592 /nfs/dbraw/zinc/34/75/92/458347592.db2.gz UCSYFHNUAMZGTD-UHFFFAOYSA-N -1 0 349.337 3.187 20 30 EGEDRM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc4ccccc4n3)nc1-2 ZINC000429572827 458347654 /nfs/dbraw/zinc/34/76/54/458347654.db2.gz WHECZDHCKJVRFF-CYBMUJFWSA-N -1 0 327.347 3.305 20 30 EGEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1ccccc1COCc1ccccc1 ZINC000416934049 458356828 /nfs/dbraw/zinc/35/68/28/458356828.db2.gz CMNICXFCIPZPET-QGZVFWFLSA-N -1 0 344.436 3.447 20 30 EGEDRM C[C@H](C#N)CSc1ccccc1NC(=O)N(C)CCCC(=O)[O-] ZINC000417744469 458367230 /nfs/dbraw/zinc/36/72/30/458367230.db2.gz DCXXZWOBXNJHHP-GFCCVEGCSA-N -1 0 335.429 3.267 20 30 EGEDRM N#CC1(CNC(=O)c2cc(Br)cc(Cl)c2[O-])CCC1 ZINC000420216367 458397507 /nfs/dbraw/zinc/39/75/07/458397507.db2.gz MJDKJNMBIVZSPV-UHFFFAOYSA-N -1 0 343.608 3.232 20 30 EGEDRM C=CCOc1ccc(CC(=O)N=c2nc(C(C)(C)C)[n-]s2)cc1 ZINC000448890557 458414352 /nfs/dbraw/zinc/41/43/52/458414352.db2.gz KKRLYQMAAKFIDI-UHFFFAOYSA-N -1 0 331.441 3.004 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cccc(F)c2C)n1 ZINC000422117883 458425850 /nfs/dbraw/zinc/42/58/50/458425850.db2.gz GXRWFWRBLLUQOH-LLVKDONJSA-N -1 0 332.356 3.257 20 30 EGEDRM Cn1nnc2cc(C([O-])=C(C#N)c3ncc(C(C)(C)C)s3)ccc21 ZINC000430593518 458468207 /nfs/dbraw/zinc/46/82/07/458468207.db2.gz DYTRQGPUTMUOMZ-LLVKDONJSA-N -1 0 339.424 3.212 20 30 EGEDRM CCSc1nccnc1C([O-])=C(C#N)c1cnc2ccccc2n1 ZINC000430600737 458469182 /nfs/dbraw/zinc/46/91/82/458469182.db2.gz IEQWFCUTRXQUPO-NSHDSACASA-N -1 0 335.392 3.022 20 30 EGEDRM N#CC[C@@H]1CC[C@H](NC(=O)c2cc(F)cc(Br)c2[O-])C1 ZINC000452553880 458502463 /nfs/dbraw/zinc/50/24/63/458502463.db2.gz BUIUWEPQVKEVAN-WPRPVWTQSA-N -1 0 341.180 3.106 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)/C=C/c2cc3ccccc3o2)CC1 ZINC000493633828 458518428 /nfs/dbraw/zinc/51/84/28/458518428.db2.gz YCOIIQMDYXIWGF-BQYQJAHWSA-N -1 0 331.393 3.001 20 30 EGEDRM C=CCn1c([C@@H]2CCCO2)n[n-]c1=Nc1ccc(CC)c(OC)c1 ZINC000453424190 458527191 /nfs/dbraw/zinc/52/71/91/458527191.db2.gz HSZXBJRMZOQIRL-HNNXBMFYSA-N -1 0 328.416 3.052 20 30 EGEDRM C=CCn1c([C@@H]2OCC[C@@H]2C)n[n-]c1=Nc1ccc(CC)c(OC)c1 ZINC000453425571 458527658 /nfs/dbraw/zinc/52/76/58/458527658.db2.gz NNDLCVKIJSIYMI-SUMWQHHRSA-N -1 0 342.443 3.298 20 30 EGEDRM C=C(C)Cn1c(-c2ccc(C)c(F)c2)n[n-]c1=Nc1c(C)n[nH]c1C ZINC000460772557 458533726 /nfs/dbraw/zinc/53/37/26/458533726.db2.gz HYXPLNOHXAFQCM-UHFFFAOYSA-N -1 0 340.406 3.474 20 30 EGEDRM C=C[C@H](CC(=O)N[C@H](C(=O)[O-])c1ccc(OC)cc1)c1ccccc1 ZINC000431800565 458626799 /nfs/dbraw/zinc/62/67/99/458626799.db2.gz PJKKSBBGTJBRHE-KUHUBIRLSA-N -1 0 339.391 3.297 20 30 EGEDRM CC(C)(C)OC(=O)N[C@@H]1CCCC1N=Nc1cccc(C(=O)[O-])c1 ZINC000494693023 458729992 /nfs/dbraw/zinc/72/99/92/458729992.db2.gz GYUBWFPBWJHMNN-CYBMUJFWSA-N -1 0 333.388 3.230 20 30 EGEDRM N#CCc1ccc(S(=O)(=O)[N-]c2cc(C3CC3)ccn2)c(Cl)c1 ZINC000516951460 458824143 /nfs/dbraw/zinc/82/41/43/458824143.db2.gz YUWLQEFJCVYNIM-UHFFFAOYSA-N -1 0 347.827 3.479 20 30 EGEDRM C=CCC[C@@H](NC(=O)Nc1ccc(OC(F)F)c(Cl)c1)C(=O)[O-] ZINC000517220041 458827923 /nfs/dbraw/zinc/82/79/23/458827923.db2.gz BBDPMBSWIVGTNM-SNVBAGLBSA-N -1 0 348.733 3.482 20 30 EGEDRM C=CCCCCNC(=O)N=c1[n-]nc(Cc2cccc(OC)c2)s1 ZINC000473682205 458839636 /nfs/dbraw/zinc/83/96/36/458839636.db2.gz YFXDPPDPONJCSR-UHFFFAOYSA-N -1 0 346.456 3.037 20 30 EGEDRM O=C(NCC#Cc1cccc(F)c1)c1cccc(Br)c1[O-] ZINC000548912560 458876499 /nfs/dbraw/zinc/87/64/99/458876499.db2.gz RMYCKUHQKQYUCR-UHFFFAOYSA-N -1 0 348.171 3.075 20 30 EGEDRM C=CCC[C@@H](NC(=O)NCCc1csc2ccccc12)C(=O)[O-] ZINC000518918871 458899611 /nfs/dbraw/zinc/89/96/11/458899611.db2.gz QCHAKVBFOKRRBN-CQSZACIVSA-N -1 0 332.425 3.162 20 30 EGEDRM CCn1ncc2cc(C([O-])=C(C#N)c3nc(C)cs3)c(C)nc21 ZINC000442026943 458988440 /nfs/dbraw/zinc/98/84/40/458988440.db2.gz HOVCQIPWYJWIRS-ZDUSSCGKSA-N -1 0 325.397 3.015 20 30 EGEDRM C=CCC[C@@H](NC(=O)c1cccc(NC(=O)OC(C)(C)C)c1)C(=O)[O-] ZINC000495915458 459004273 /nfs/dbraw/zinc/00/42/73/459004273.db2.gz YAXQWAPFSBLMQG-CQSZACIVSA-N -1 0 348.399 3.183 20 30 EGEDRM C=CCC[C@@H](NC(=O)NCC1(Sc2ccccc2)CC1)C(=O)[O-] ZINC000520523188 459067785 /nfs/dbraw/zinc/06/77/85/459067785.db2.gz QHZQLOMUXRXJNQ-CQSZACIVSA-N -1 0 334.441 3.030 20 30 EGEDRM C=C(C)[C@H](NC(=O)N=c1cc(C)c(C)n[n-]1)c1ccc(F)c(F)c1 ZINC000480570037 459205133 /nfs/dbraw/zinc/20/51/33/459205133.db2.gz ZAGMIFNGVUJPAK-INIZCTEOSA-N -1 0 332.354 3.232 20 30 EGEDRM N#Cc1ccc(Cl)c(C(=O)N=c2ccc(-c3ccccc3)n[n-]2)c1 ZINC000568676209 459327508 /nfs/dbraw/zinc/32/75/08/459327508.db2.gz AUVJDVJBFRVNDP-UHFFFAOYSA-N -1 0 334.766 3.343 20 30 EGEDRM C=CCC[C@@H](NC(=O)N[C@H](C)c1nc(C(C)(C)C)cs1)C(=O)[O-] ZINC000560487172 459356691 /nfs/dbraw/zinc/35/66/91/459356691.db2.gz UALSUTLSTJJGPM-GHMZBOCLSA-N -1 0 339.461 3.220 20 30 EGEDRM C[C@@H]1CCC[C@@](C#N)(NC(=O)c2cccc(Br)c2[O-])C1 ZINC000536689417 459361039 /nfs/dbraw/zinc/36/10/39/459361039.db2.gz PTBBKKYYHAJALU-MEBBXXQBSA-N -1 0 337.217 3.357 20 30 EGEDRM O=C([O-])CCCCCNC(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC000539608065 459377385 /nfs/dbraw/zinc/37/73/85/459377385.db2.gz OMGVOBZRVGKRCR-UHFFFAOYSA-N -1 0 335.403 3.461 20 30 EGEDRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N(C)CC(C)(C)C#N)n2)cc1 ZINC000497140119 459457118 /nfs/dbraw/zinc/45/71/18/459457118.db2.gz CETCFOYVBXIXLV-UHFFFAOYSA-N -1 0 340.427 3.323 20 30 EGEDRM Cc1cc(Cl)c2ncc(C#N)c(N3C[C@@H](C)[C@H](C(=O)[O-])C3)c2c1 ZINC000595971555 459490202 /nfs/dbraw/zinc/49/02/02/459490202.db2.gz FFBOMONQDJRHRW-ZWNOBZJWSA-N -1 0 329.787 3.225 20 30 EGEDRM C[C@@](CNC(=O)CC1(C#N)CCCCC1)(C(=O)[O-])c1ccccc1 ZINC000595998814 459492276 /nfs/dbraw/zinc/49/22/76/459492276.db2.gz FMCXEWIIFPXTOB-SFHVURJKSA-N -1 0 328.412 3.009 20 30 EGEDRM CO[C@@H](CS(=O)(=O)[N-]c1ccc(Cl)cc1C#N)C1CCCC1 ZINC000596041538 459499422 /nfs/dbraw/zinc/49/94/22/459499422.db2.gz KKGGRTKBNUJHHL-HNNXBMFYSA-N -1 0 342.848 3.159 20 30 EGEDRM C=CCCCCNC(=O)N[C@H](C(=O)[O-])c1ccc(OC)c(Cl)c1 ZINC000571856794 459573907 /nfs/dbraw/zinc/57/39/07/459573907.db2.gz LBWUTLRMWIURET-AWEZNQCLSA-N -1 0 340.807 3.130 20 30 EGEDRM CCc1ncncc1C([O-])=C(C#N)c1nc2cc(F)ccc2s1 ZINC000592973618 459726111 /nfs/dbraw/zinc/72/61/11/459726111.db2.gz IIKGDWZGKBINLC-JTQLQIEISA-N -1 0 326.356 3.278 20 30 EGEDRM COC(=O)c1cncc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)c1 ZINC000574147241 459784069 /nfs/dbraw/zinc/78/40/69/459784069.db2.gz PADZCKBHXXFXCQ-GFCCVEGCSA-N -1 0 343.408 3.112 20 30 EGEDRM CCC(C#N)(CC)C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000528909772 459816480 /nfs/dbraw/zinc/81/64/80/459816480.db2.gz NAUMBXWDOFYOCX-UHFFFAOYSA-N -1 0 349.239 3.128 20 30 EGEDRM C=CCNc1ncc(C(=O)Nc2cc(Cl)cc(Cl)c2[O-])s1 ZINC000545445144 459833051 /nfs/dbraw/zinc/83/30/51/459833051.db2.gz NLOZOSCEZJMOJL-UHFFFAOYSA-N -1 0 344.223 3.428 20 30 EGEDRM N#CCc1cccc(C(=O)N2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])c1 ZINC000598660700 459983394 /nfs/dbraw/zinc/98/33/94/459983394.db2.gz DGKQPLDSOGPKSY-MSOLQXFVSA-N -1 0 340.423 3.248 20 30 EGEDRM COc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000610057404 460056840 /nfs/dbraw/zinc/05/68/40/460056840.db2.gz FQBHANZTCSIJNC-UHFFFAOYSA-N -1 0 340.763 3.160 20 30 EGEDRM Cn1cc(C#N)c(=NC(=O)N[C@H](CC(C)(C)C)c2ccccc2)[n-]1 ZINC000610563944 460183801 /nfs/dbraw/zinc/18/38/01/460183801.db2.gz NDBTYMFHBSMJDM-OAHLLOKOSA-N -1 0 325.416 3.013 20 30 EGEDRM CCC(CC)[C@@H](NC(=O)N=c1[n-]n(C)cc1C#N)c1ccccc1 ZINC000610563600 460184047 /nfs/dbraw/zinc/18/40/47/460184047.db2.gz BWWJPBAPPZWHCK-MRXNPFEDSA-N -1 0 325.416 3.013 20 30 EGEDRM C[C@@H]1CN(C(=O)N[C@H](CCCC#N)c2ccccc2)CC[C@H]1C(=O)[O-] ZINC000599863979 460351793 /nfs/dbraw/zinc/35/17/93/460351793.db2.gz KFVJWPGWELQIMF-DJIMGWMZSA-N -1 0 343.427 3.174 20 30 EGEDRM N#Cc1cccc(-c2c[nH]c(CN=c3[n-]c(-c4ccccc4)no3)n2)c1 ZINC000611466996 460371034 /nfs/dbraw/zinc/37/10/34/460371034.db2.gz JAYAINLPDBLTQY-UHFFFAOYSA-N -1 0 342.362 3.032 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)N2CC(C)(C)CCC2(C)C)cc1C#N ZINC000600227121 460451252 /nfs/dbraw/zinc/45/12/52/460451252.db2.gz YJAZKVURMUCFKO-UHFFFAOYSA-N -1 0 333.457 3.422 20 30 EGEDRM N#Cc1c[n-][nH]c1=NC(=O)C1(Cc2cccc(Cl)c2)CCCC1 ZINC000601638461 460853863 /nfs/dbraw/zinc/85/38/63/460853863.db2.gz BLERBCWDTVVKGM-UHFFFAOYSA-N -1 0 328.803 3.098 20 30 EGEDRM C=C(C)C[C@H](NC(=O)c1ccc(OC2CCCC2)c(OC)c1)C(=O)[O-] ZINC000630326998 461096420 /nfs/dbraw/zinc/09/64/20/461096420.db2.gz UWSABNGFDDCJOT-HNNXBMFYSA-N -1 0 347.411 3.166 20 30 EGEDRM C=CCN(CCc1ccco1)C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655903238 461528482 /nfs/dbraw/zinc/52/84/82/461528482.db2.gz ZEODDTLPAZDZHN-VNQPRFMTSA-N -1 0 348.443 3.155 20 30 EGEDRM Cn1nc(C([O-])=C(C#N)c2nc(C3CC3)cs2)c2c1CCCC2 ZINC000647380249 461670031 /nfs/dbraw/zinc/67/00/31/461670031.db2.gz WVPSZZUVDCCZAF-GFCCVEGCSA-N -1 0 326.425 3.123 20 30 EGEDRM C=CCCn1cc(CN[C@@H](CC(=O)[O-])c2ccc(C(C)C)cc2)nn1 ZINC000656574477 461794343 /nfs/dbraw/zinc/79/43/43/461794343.db2.gz WMNBXQOFGKLROT-SFHVURJKSA-N -1 0 342.443 3.283 20 30 EGEDRM C=CCCC[C@H](C)NC(=O)c1ccc(-n2ncc(C(=O)[O-])c2C)cc1 ZINC000649368756 462489105 /nfs/dbraw/zinc/48/91/05/462489105.db2.gz UPCFRBWMNJHVMS-ZDUSSCGKSA-N -1 0 341.411 3.354 20 30 EGEDRM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1cc(C#N)ccc1C ZINC000181684700 534861105 /nfs/dbraw/zinc/86/11/05/534861105.db2.gz ZEIJBNNWCXCOMF-UHFFFAOYSA-N -1 0 346.456 3.137 20 30 EGEDRM N#Cc1cccc(S(=O)(=O)[N-]C(=O)CCSc2ccccc2)c1 ZINC000048599940 526729087 /nfs/dbraw/zinc/72/90/87/526729087.db2.gz ZSLGPTGAJZHEKD-UHFFFAOYSA-N -1 0 346.433 3.386 20 30 EGEDRM COC(=O)N1CCC(/N=C/c2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000066887824 546566271 /nfs/dbraw/zinc/56/62/71/546566271.db2.gz DYFQMWHCQDHSAA-CAOOACKPSA-N -1 0 331.199 3.349 20 30 EGEDRM C=CCOc1ccc(CNC(=O)C[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000671643096 548323732 /nfs/dbraw/zinc/32/37/32/548323732.db2.gz FFSJTLCSGQXYNV-SFHVURJKSA-N -1 0 339.391 3.126 20 30 EGEDRM Cn1nc(C([O-])=C(C#N)c2ccc3ccccc3n2)cc1OC(F)F ZINC000681042177 549946524 /nfs/dbraw/zinc/94/65/24/549946524.db2.gz IRCYVCFONIGABC-NSHDSACASA-N -1 0 342.305 3.060 20 30 EGEDRM CS(=O)(=O)c1ccc(/C=C2\CCc3cc(O)ccc3C2=O)cc1 ZINC000726427677 574552705 /nfs/dbraw/zinc/55/27/05/574552705.db2.gz SSMDIXLXFVLVBK-GXDHUFHOSA-N -1 0 328.389 3.008 20 30 EGEDRM C[C@H](Oc1cccc(C(=O)/C=C/c2cccnc2Cl)c1)C(=O)[O-] ZINC000728697380 574767257 /nfs/dbraw/zinc/76/72/57/574767257.db2.gz OUPMLAAKGKGYFL-AEZGRPFRSA-N -1 0 331.755 3.483 20 30 EGEDRM Cc1c(C(=O)[O-])oc2c1C(=NNCCCOc1ccccc1)CCC2 ZINC000729148171 574818746 /nfs/dbraw/zinc/81/87/46/574818746.db2.gz UMIJBMHELJIDNX-UHFFFAOYSA-N -1 0 342.395 3.385 20 30 EGEDRM O=C([O-])COc1ccc(C=NNc2ccccc2Cl)cc1[N+](=O)[O-] ZINC000731559517 575081780 /nfs/dbraw/zinc/08/17/80/575081780.db2.gz GSFYLHFUJUCNHH-UHFFFAOYSA-N -1 0 349.730 3.158 20 30 EGEDRM Cc1ccc(C(=O)/C=C/c2cccc(OCC(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000733205344 575319874 /nfs/dbraw/zinc/31/98/74/575319874.db2.gz SCXYJPKOIXVFDB-SOFGYWHQSA-N -1 0 341.319 3.263 20 30 EGEDRM CN(C)c1ccc(C(=O)/C=C\c2cccc(OCC(=O)[O-])c2)cc1 ZINC000733206503 575320591 /nfs/dbraw/zinc/32/05/91/575320591.db2.gz MDOVSMCTSDBYDQ-WDZFZDKYSA-N -1 0 325.364 3.112 20 30 EGEDRM Cc1cc(C)c2c(c1)C(=O)/C(=C/c1cccc(OCC(=O)[O-])c1)CO2 ZINC000733207395 575320647 /nfs/dbraw/zinc/32/06/47/575320647.db2.gz XUXBVNMTFWMHSU-OVCLIPMQSA-N -1 0 338.359 3.426 20 30 EGEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1ccc(Oc2ccccc2)nc1 ZINC000733680646 575379940 /nfs/dbraw/zinc/37/99/40/575379940.db2.gz AOLDLDRTWZEGFR-QGZVFWFLSA-N -1 0 349.390 3.255 20 30 EGEDRM CC[C@@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000734078931 575433550 /nfs/dbraw/zinc/43/35/50/575433550.db2.gz GDJZBVVKUVRVPN-INIZCTEOSA-N -1 0 348.468 3.360 20 30 EGEDRM O=C([O-])c1csc(C=NNc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000755689573 575630712 /nfs/dbraw/zinc/63/07/12/575630712.db2.gz QMQKZXMRQCBCIF-UHFFFAOYSA-N -1 0 325.733 3.454 20 30 EGEDRM C#CCOc1ccc(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)cc1 ZINC000736089282 575898138 /nfs/dbraw/zinc/89/81/38/575898138.db2.gz JAXQQSTUHOMEDX-UHFFFAOYSA-N -1 0 329.739 3.303 20 30 EGEDRM C#Cc1cccc(NC(=S)Nc2ccc(OCC(=O)[O-])cc2C)c1 ZINC000736094964 575898673 /nfs/dbraw/zinc/89/86/73/575898673.db2.gz AZPWYNOHGOSBMP-UHFFFAOYSA-N -1 0 340.404 3.249 20 30 EGEDRM C=CCn1c(SC/C=C(\C)C(=O)[O-])nnc1-c1ccccc1OC ZINC000736116926 575901179 /nfs/dbraw/zinc/90/11/79/575901179.db2.gz FSRVVPGAPXEWKO-FMIVXFBMSA-N -1 0 345.424 3.263 20 30 EGEDRM C/C(=C\C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1cccc(F)c1 ZINC000736121828 575902529 /nfs/dbraw/zinc/90/25/29/575902529.db2.gz UVMZYDYHJAIRPL-ZPHJMFTNSA-N -1 0 339.322 3.470 20 30 EGEDRM C[C@](C#N)(CCc1ccccc1)NC(=O)c1ccc(NC(=O)[O-])cc1 ZINC000736202595 575914807 /nfs/dbraw/zinc/91/48/07/575914807.db2.gz ORIXPHZCCYEFBM-LJQANCHMSA-N -1 0 337.379 3.421 20 30 EGEDRM C[C@@H](C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccccc1F ZINC000736225859 575917054 /nfs/dbraw/zinc/91/70/54/575917054.db2.gz AHEYJBLHLYXMRG-BDJLRTHQSA-N -1 0 327.311 3.170 20 30 EGEDRM C[C@H](CC(=O)[O-])S[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000736552455 575983129 /nfs/dbraw/zinc/98/31/29/575983129.db2.gz NJIXWKRSLLGKTL-NEPJUHHUSA-N -1 0 338.404 3.057 20 30 EGEDRM C[C@@H](CN(C)C(=O)c1cccc(Nc2ccc(C#N)cc2)c1)C(=O)[O-] ZINC000736575739 575986199 /nfs/dbraw/zinc/98/61/99/575986199.db2.gz PSDSVBXCMRKCRQ-ZDUSSCGKSA-N -1 0 337.379 3.095 20 30 EGEDRM C[C@H](Cc1ccccc1F)C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736628523 575995688 /nfs/dbraw/zinc/99/56/88/575995688.db2.gz YUTCWPWJZJGHQE-SJKOYZFVSA-N -1 0 341.338 3.245 20 30 EGEDRM CCC(CC)CN(CCC#N)C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000736893979 576056027 /nfs/dbraw/zinc/05/60/27/576056027.db2.gz BXHFXIVBOVMAGQ-UHFFFAOYSA-N -1 0 347.371 3.085 20 30 EGEDRM CCOc1cccc(/C=N/[C@@H](CC(=O)[O-])c2ccc(OC)cc2)c1O ZINC000737211485 576136782 /nfs/dbraw/zinc/13/67/82/576136782.db2.gz UXENFYMKLSZHSO-DORSJAEJSA-N -1 0 343.379 3.434 20 30 EGEDRM CCSc1nnc(S[C@@H](C(=O)[O-])c2ccc(C#N)cc2)s1 ZINC000737229774 576139811 /nfs/dbraw/zinc/13/98/11/576139811.db2.gz OXXZBCQRISICKN-SNVBAGLBSA-N -1 0 337.451 3.440 20 30 EGEDRM CCc1sc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1C ZINC000737292674 576199963 /nfs/dbraw/zinc/19/99/63/576199963.db2.gz VAWDQFTWAWRIGJ-HNNXBMFYSA-N -1 0 329.377 3.473 20 30 EGEDRM CN(C(=O)[O-])c1ccccc1C(=O)OCc1ccc(F)cc1C#N ZINC000737335385 576209705 /nfs/dbraw/zinc/20/97/05/576209705.db2.gz GFQUSOSWJLGXNG-UHFFFAOYSA-N -1 0 328.299 3.169 20 30 EGEDRM CN(CCCC(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000737418792 576224592 /nfs/dbraw/zinc/22/45/92/576224592.db2.gz RTLLJGBWJKILAX-GFCCVEGCSA-N -1 0 344.198 3.064 20 30 EGEDRM CN(CCCC(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000737418806 576224606 /nfs/dbraw/zinc/22/46/06/576224606.db2.gz SDMXKQYNVZGMRY-NSHDSACASA-N -1 0 344.198 3.064 20 30 EGEDRM COc1cc(C=NOCc2cc(C(=O)[O-])co2)ccc1OC(F)F ZINC000737877762 576269192 /nfs/dbraw/zinc/26/91/92/576269192.db2.gz IIAYKCILKJWBSY-UHFFFAOYSA-N -1 0 341.266 3.139 20 30 EGEDRM CSc1ccccc1C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000738214627 576300689 /nfs/dbraw/zinc/30/06/89/576300689.db2.gz OQWNGNTZAZDHOJ-OAHLLOKOSA-N -1 0 327.361 3.263 20 30 EGEDRM N#Cc1cc(F)ccc1CSCC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000738426073 576324124 /nfs/dbraw/zinc/32/41/24/576324124.db2.gz SIBKVHRDDIRJCI-UHFFFAOYSA-N -1 0 344.367 3.267 20 30 EGEDRM N#Cc1cc(NC(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)ccc1F ZINC000738426393 576324195 /nfs/dbraw/zinc/32/41/95/576324195.db2.gz ZNPSHODENPBHDO-HNNXBMFYSA-N -1 0 345.305 3.174 20 30 EGEDRM Cc1cccc2c(CC(=O)O[C@@H](C(=O)[O-])c3ccc(C#N)cc3)c[nH]c21 ZINC000738747093 576358494 /nfs/dbraw/zinc/35/84/94/576358494.db2.gz AMOVXAQKOHHSLU-LJQANCHMSA-N -1 0 348.358 3.260 20 30 EGEDRM Cc1nn(CCC(=O)[O-])c(C)c1C=NNc1cccc(Cl)c1F ZINC000738923581 576369393 /nfs/dbraw/zinc/36/93/93/576369393.db2.gz XUUIHLRIJLVJAE-UHFFFAOYSA-N -1 0 338.770 3.213 20 30 EGEDRM N#Cc1c(COC(=O)c2cccc(NC(=O)[O-])c2)cn2ccccc12 ZINC000739093933 576377597 /nfs/dbraw/zinc/37/75/97/576377597.db2.gz VLDPRZGUXQGEAQ-UHFFFAOYSA-N -1 0 335.319 3.258 20 30 EGEDRM N#Cc1ccc(F)c(CN(CCC(=O)[O-])Cc2ccc(F)c(F)c2)c1 ZINC000739117443 576378972 /nfs/dbraw/zinc/37/89/72/576378972.db2.gz FPWYWWDCTGJKOU-UHFFFAOYSA-N -1 0 348.324 3.452 20 30 EGEDRM N#Cc1ccc(CN(C(=O)c2cccc(NC(=O)[O-])c2)C2CC2)cc1 ZINC000739118357 576379003 /nfs/dbraw/zinc/37/90/03/576379003.db2.gz QXISBDDTSPRCQC-UHFFFAOYSA-N -1 0 335.363 3.453 20 30 EGEDRM N#Cc1ccccc1/C=C/C(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000739140228 576379500 /nfs/dbraw/zinc/37/95/00/576379500.db2.gz QIWHAQUYZYAMDC-JEJOPICUSA-N -1 0 325.295 3.080 20 30 EGEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N\C[C@@H](O)c2ccsc2)c1[O-] ZINC000739425538 576410511 /nfs/dbraw/zinc/41/05/11/576410511.db2.gz FWNHBBAVQUPBJK-VPXMWUHLSA-N -1 0 326.761 3.168 20 30 EGEDRM O=C([O-])c1ccccc1NN=Cc1ccc(Oc2cnccn2)cc1 ZINC000743430051 576809096 /nfs/dbraw/zinc/80/90/96/576809096.db2.gz DUFFLOSFOKJLFE-UHFFFAOYSA-N -1 0 334.335 3.413 20 30 EGEDRM Cc1ccc(F)c(NC(=S)NN=Cc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000745006482 576838384 /nfs/dbraw/zinc/83/83/84/576838384.db2.gz WXXROHQZNXMMRX-UHFFFAOYSA-N -1 0 348.359 3.068 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@@H](C)c2cccc(F)c2)n1 ZINC000745367400 576846528 /nfs/dbraw/zinc/84/65/28/576846528.db2.gz BYFAUMQPPQTPKV-FZMZJTMJSA-N -1 0 346.383 3.114 20 30 EGEDRM CN(CCC(=O)[O-])C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 ZINC000818435681 596985327 /nfs/dbraw/zinc/98/53/27/596985327.db2.gz WLGXKKYLDKHEAH-KRWDZBQOSA-N -1 0 337.379 3.280 20 30 EGEDRM C=CCOc1cccc(NC(=O)NCc2ccc(C(=O)[O-])cc2)c1 ZINC000817685987 597173899 /nfs/dbraw/zinc/17/38/99/597173899.db2.gz VEJSHOKCSVBOSG-UHFFFAOYSA-N -1 0 326.352 3.271 20 30 EGEDRM CC(C)[C@@H](NC(=O)Nc1ccccc1S[C@@H](C)CC#N)C(=O)[O-] ZINC000817998694 597205757 /nfs/dbraw/zinc/20/57/57/597205757.db2.gz QKFBPMREROZJPI-SMDDNHRTSA-N -1 0 335.429 3.312 20 30 EGEDRM C[C@H](C(=O)[O-])N(C)C(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000817762695 597484623 /nfs/dbraw/zinc/48/46/23/597484623.db2.gz OKQOBCJSGHTSCW-GFCCVEGCSA-N -1 0 340.404 3.255 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)OCc1ccc(-c2ccccc2C#N)cc1 ZINC000819875197 597618494 /nfs/dbraw/zinc/61/84/94/597618494.db2.gz VKXVOEZPTJLUFN-FQEVSTJZSA-N -1 0 348.358 3.273 20 30 EGEDRM Cc1sc(NC(=O)[C@](C)(C#N)CC(=O)[O-])nc1-c1ccccc1 ZINC000821257864 598222334 /nfs/dbraw/zinc/22/23/34/598222334.db2.gz WOLCXSWPTBHOPJ-INIZCTEOSA-N -1 0 329.381 3.062 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1sc2c(c1C#N)CCCCCC2 ZINC000819865248 598224731 /nfs/dbraw/zinc/22/47/31/598224731.db2.gz JMSORXVHDCBMRZ-KRWDZBQOSA-N -1 0 345.424 3.222 20 30 EGEDRM C[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])c1c(Cl)ccc(F)c1Cl ZINC000820113538 598224741 /nfs/dbraw/zinc/22/47/41/598224741.db2.gz BNOSELOJILDXCT-WJWGPLDTSA-N -1 0 347.173 3.314 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)OCc1ncc(-c2cccc(Cl)c2)o1 ZINC000819874937 598227204 /nfs/dbraw/zinc/22/72/04/598227204.db2.gz SWOAVXGSYALNLH-INIZCTEOSA-N -1 0 348.742 3.043 20 30 EGEDRM CC[C@@H]1CN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC[C@@H]1c1ccccc1 ZINC000820297267 598229206 /nfs/dbraw/zinc/22/92/06/598229206.db2.gz QYVFJMWZXKMFCM-ALKREAHSSA-N -1 0 328.412 3.033 20 30 EGEDRM Cc1ccc(-c2cccc(CNC(=O)[C@](C)(C#N)CC(=O)[O-])c2)cc1 ZINC000821052015 598230355 /nfs/dbraw/zinc/23/03/55/598230355.db2.gz HDJSYVLONLHJGN-FQEVSTJZSA-N -1 0 336.391 3.283 20 30 EGEDRM Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC000820979603 598230439 /nfs/dbraw/zinc/23/04/39/598230439.db2.gz ABWAMSMYTFBNGZ-AUUYWEPGSA-N -1 0 343.427 3.317 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(Sc2ccncc2)cc1 ZINC000819857167 598230926 /nfs/dbraw/zinc/23/09/26/598230926.db2.gz SWNGXWCOTLHRHT-KRWDZBQOSA-N -1 0 341.392 3.176 20 30 EGEDRM N#Cc1ccc(SCC(=O)N[C@@H](CC(=O)[O-])c2cccs2)cc1 ZINC000739133079 599901119 /nfs/dbraw/zinc/90/11/19/599901119.db2.gz ZKOYFKSYAPKRGO-ZDUSSCGKSA-N -1 0 346.433 3.044 20 30 EGEDRM C[C@@H](NC(=O)N1Cc2ccc(C(=O)[O-])cc2C1)c1cccc(C#N)c1 ZINC000827653785 600779471 /nfs/dbraw/zinc/77/94/71/600779471.db2.gz ROLQHPWUPKBJCO-GFCCVEGCSA-N -1 0 335.363 3.043 20 30 EGEDRM CC(C)CN(C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1ccc(C#N)cc1 ZINC000826864901 600913953 /nfs/dbraw/zinc/91/39/53/600913953.db2.gz AXHVBQQOHFKIHG-HZPDHXFCSA-N -1 0 328.412 3.438 20 30 EGEDRM C#CCOc1cc(F)ccc1NC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000825625484 600996367 /nfs/dbraw/zinc/99/63/67/600996367.db2.gz FPGRPBQBMBMOIZ-UHFFFAOYSA-N -1 0 342.326 3.488 20 30 EGEDRM CCc1ccc(N2CCN([C@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)cc1 ZINC000830253586 601039116 /nfs/dbraw/zinc/03/91/16/601039116.db2.gz HGRFDCSKFJPHKW-FQEVSTJZSA-N -1 0 349.434 3.069 20 30 EGEDRM CCCNc1ccc(C#N)cc1NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000829519553 601211278 /nfs/dbraw/zinc/21/12/78/601211278.db2.gz MUPCCUAZKPNTMY-KBPBESRZSA-N -1 0 329.400 3.210 20 30 EGEDRM Cn1cc(C#N)cc1C(=O)Nc1sc2c(c1C(=O)[O-])CCCCC2 ZINC000833040700 601254348 /nfs/dbraw/zinc/25/43/48/601254348.db2.gz PXBPVFZMTICOCV-UHFFFAOYSA-N -1 0 343.408 3.178 20 30 EGEDRM N#Cc1ccc(C(=O)N[C@H](CC(=O)[O-])c2cccc(Cl)c2)s1 ZINC000833071287 601288012 /nfs/dbraw/zinc/28/80/12/601288012.db2.gz ZNBXXZDQRDEYKD-GFCCVEGCSA-N -1 0 334.784 3.219 20 30 EGEDRM N#Cc1cccc([C@H](NCc2cc3c(s2)CCCC3)C(=O)[O-])c1 ZINC000833075107 601302534 /nfs/dbraw/zinc/30/25/34/601302534.db2.gz HRQRONCVACYUQL-KRWDZBQOSA-N -1 0 326.421 3.414 20 30 EGEDRM Cc1csc([C@@H]2CCCN2[C@@H](C(=O)[O-])c2cccc(C#N)c2)n1 ZINC000832989085 601313909 /nfs/dbraw/zinc/31/39/09/601313909.db2.gz GYIBRGQXXDHKOX-LSDHHAIUSA-N -1 0 327.409 3.286 20 30 EGEDRM N#Cc1cc(F)ccc1NC(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000833069843 601339237 /nfs/dbraw/zinc/33/92/37/601339237.db2.gz VFMSDFPMZLHCLZ-HNNXBMFYSA-N -1 0 345.305 3.174 20 30 EGEDRM N#Cc1cccc([C@@H](OC(=O)c2ccc3ccccc3n2)C(=O)[O-])c1 ZINC000833077497 601344631 /nfs/dbraw/zinc/34/46/31/601344631.db2.gz USEMEUZVSACAJF-QGZVFWFLSA-N -1 0 332.315 3.089 20 30 EGEDRM N#Cc1cccc([C@@H](OC(=O)c2cc3ccsc3[nH]2)C(=O)[O-])c1 ZINC000833076003 601346181 /nfs/dbraw/zinc/34/61/81/601346181.db2.gz GBLNGKLQHVFABP-CYBMUJFWSA-N -1 0 326.333 3.084 20 30 EGEDRM N#Cc1cccc([C@@H](OC(=O)C(F)(F)c2ccccc2)C(=O)[O-])c1 ZINC000833075334 601349679 /nfs/dbraw/zinc/34/96/79/601349679.db2.gz KEHDJTQKCJEFSG-CQSZACIVSA-N -1 0 331.274 3.019 20 30 EGEDRM C[C@H](Cc1ccc(F)cc1)C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000827586333 601350936 /nfs/dbraw/zinc/35/09/36/601350936.db2.gz KRIBECKZWOOOIA-SJKOYZFVSA-N -1 0 341.338 3.245 20 30 EGEDRM N#Cc1cccc([C@H](OC(=O)c2cccc3cnccc32)C(=O)[O-])c1 ZINC000833075387 601355046 /nfs/dbraw/zinc/35/50/46/601355046.db2.gz AEGXNDOVHNILSK-KRWDZBQOSA-N -1 0 332.315 3.089 20 30 EGEDRM O=C([O-])[C@@H]1CN(CC#Cc2ccc(Cl)cc2)c2ccccc2O1 ZINC000833192848 601412960 /nfs/dbraw/zinc/41/29/60/601412960.db2.gz WIVZCPUAWWWACZ-KRWDZBQOSA-N -1 0 327.767 3.044 20 30 EGEDRM N#Cc1ccccc1/C=C\C(=O)N[C@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000833075171 601586684 /nfs/dbraw/zinc/58/66/84/601586684.db2.gz NAELLOYFPPHRJT-JEZWAEDTSA-N -1 0 340.766 3.167 20 30 EGEDRM Cc1sc(C(=O)[O-])cc1COC(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000833030828 601715074 /nfs/dbraw/zinc/71/50/74/601715074.db2.gz CKEJPDZRIMUTGY-SNVBAGLBSA-N -1 0 345.376 3.137 20 30 EGEDRM Cc1sc(C(=O)[O-])cc1COC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000833030935 601721926 /nfs/dbraw/zinc/72/19/26/601721926.db2.gz COOUHARBCWECAO-SNVBAGLBSA-N -1 0 345.376 3.137 20 30 EGEDRM Cc1ccc(N=C2NC(=O)/C(=C\c3c[nH]c(C(=O)[O-])c3)S2)c(C)c1 ZINC000832949226 601791214 /nfs/dbraw/zinc/79/12/14/601791214.db2.gz QKOROIMFPGZJFJ-VGOFMYFVSA-N -1 0 341.392 3.221 20 30 EGEDRM O=C([O-])c1cc(/C=C\C(=O)c2ccc(F)cc2OC(F)F)c[nH]1 ZINC000833297282 601794523 /nfs/dbraw/zinc/79/45/23/601794523.db2.gz FBJODYNDPDIOGA-RJRFIUFISA-N -1 0 325.242 3.350 20 30 EGEDRM C[C@@]1(C(=O)[O-])CCN(C(=O)c2ccccc2-c2ccccc2C#N)C1 ZINC000828016757 602004682 /nfs/dbraw/zinc/00/46/82/602004682.db2.gz YJONOBXCGHANCN-HXUWFJFHSA-N -1 0 334.375 3.162 20 30 EGEDRM C=CCOc1cccc(NC(=O)NCc2cccc(C(=O)[O-])c2)c1 ZINC000825702262 602034117 /nfs/dbraw/zinc/03/41/17/602034117.db2.gz GOXLHQXOCXOSPC-UHFFFAOYSA-N -1 0 326.352 3.271 20 30 EGEDRM CCn1nc(C)c(C(=O)/C=C/c2ccc(O[C@H](C)C(=O)[O-])cc2)c1C ZINC000830440805 602110199 /nfs/dbraw/zinc/11/01/99/602110199.db2.gz IDYFZYCBGGTTSC-BMGYJQCNSA-N -1 0 342.395 3.268 20 30 EGEDRM COc1ccc2c(c1)C(=O)/C(=C/c1ccc(O[C@@H](C)C(=O)[O-])cc1)C2 ZINC000794700247 602112190 /nfs/dbraw/zinc/11/21/90/602112190.db2.gz ICKHMRAWRINGHK-DGGAMASNSA-N -1 0 338.359 3.370 20 30 EGEDRM C[C@@H](Oc1ccc(/C=C2\CCc3c(O)cccc3C2=O)cc1)C(=O)[O-] ZINC000794702669 602112349 /nfs/dbraw/zinc/11/23/49/602112349.db2.gz QZSCZGOEXSFYDB-SLQMCABGSA-N -1 0 338.359 3.457 20 30 EGEDRM O=C([O-])c1ccc2[nH]cc(CN=Nc3ncnc4ccsc43)c2c1 ZINC000833325471 602186003 /nfs/dbraw/zinc/18/60/03/602186003.db2.gz PHLMMPSVQXAGBM-UHFFFAOYSA-N -1 0 337.364 3.317 20 30 EGEDRM CC1(C)C(=O)Nc2ccc(C(=O)/C=C\c3ccc(C(=O)[O-])o3)cc21 ZINC000828041526 602302571 /nfs/dbraw/zinc/30/25/71/602302571.db2.gz BOKIBAHLIJOHNN-DAXSKMNVSA-N -1 0 325.320 3.104 20 30 EGEDRM C=CCC[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])c(C)o1)c1ccccc1 ZINC000825664878 604509788 /nfs/dbraw/zinc/50/97/88/604509788.db2.gz PCVCXGYBMSBFAO-OAHLLOKOSA-N -1 0 349.408 3.272 20 30 EGEDRM CC(=O)Nc1cc(F)c(F)cc1NCc1cccc(C(=O)[O-])c1C#N ZINC000833398494 604536986 /nfs/dbraw/zinc/53/69/86/604536986.db2.gz LSUGMOCCWYVSFS-UHFFFAOYSA-N -1 0 345.305 3.105 20 30 EGEDRM CC(=O)Nc1cc(NCc2cccc(C(=O)[O-])c2C#N)c(F)cc1F ZINC000833398287 604537160 /nfs/dbraw/zinc/53/71/60/604537160.db2.gz FMDZLQQQHASZRQ-UHFFFAOYSA-N -1 0 345.305 3.105 20 30 EGEDRM Cc1c(C#N)cccc1NC(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000832849624 604557330 /nfs/dbraw/zinc/55/73/30/604557330.db2.gz MGIBTMMJCCOENJ-CXAGYDPISA-N -1 0 337.379 3.450 20 30 EGEDRM Cc1ccc([C@H](CNC(=O)Nc2cccc(C#N)c2C)C(=O)[O-])cc1 ZINC000832922185 604558001 /nfs/dbraw/zinc/55/80/01/604558001.db2.gz CXDFQPUPZUJYLT-INIZCTEOSA-N -1 0 337.379 3.165 20 30 EGEDRM C=CCN(Cc1ccccc1)C(=O)NCCc1cccc(C(=O)[O-])c1 ZINC000833376165 604605027 /nfs/dbraw/zinc/60/50/27/604605027.db2.gz OZGVXFVSGNUDHU-UHFFFAOYSA-N -1 0 338.407 3.325 20 30 EGEDRM C[C@H]1CN(Cc2cccc(C(=O)[O-])c2C#N)[C@@H](c2ccccc2)CO1 ZINC000833628836 604610938 /nfs/dbraw/zinc/61/09/38/604610938.db2.gz BQYNMXSWXCOFSC-IFXJQAMLSA-N -1 0 336.391 3.218 20 30 EGEDRM C#CC[C@@H](NC(=O)N1CCC(CCC(=O)[O-])CC1)c1ccccc1 ZINC000833360115 604656226 /nfs/dbraw/zinc/65/62/26/604656226.db2.gz CZEHYKNZUYSQIJ-QGZVFWFLSA-N -1 0 328.412 3.037 20 30 EGEDRM CC[C@H](C)Oc1cc(CN=Nc2ccc(C(=O)[O-])cn2)ccc1OC ZINC000763370974 604666738 /nfs/dbraw/zinc/66/67/38/604666738.db2.gz WRLBZGDAGUUIOG-LBPRGKRZSA-N -1 0 343.383 3.412 20 30 EGEDRM C=CCN(CC=C)C(=O)[C@H](C)SCc1ccc(C(=O)[O-])cc1F ZINC000833375308 604756133 /nfs/dbraw/zinc/75/61/33/604756133.db2.gz PMVADGQPKOQEDE-LBPRGKRZSA-N -1 0 337.416 3.346 20 30 EGEDRM C=CCCO[C@@H](C)C(=O)Oc1cc(Br)cc(C(=O)[O-])c1 ZINC000833374269 604818165 /nfs/dbraw/zinc/81/81/65/604818165.db2.gz WUDGSVVQXKAZRA-VIFPVBQESA-N -1 0 343.173 3.034 20 30 EGEDRM N#Cc1c(Cl)nsc1Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000833761361 604828990 /nfs/dbraw/zinc/82/89/90/604828990.db2.gz XATZAOWGLIHXMI-UHFFFAOYSA-N -1 0 325.689 3.067 20 30 EGEDRM Cc1ccc2ncc(/C=C/C(=O)c3ccc(OCC(=O)[O-])cc3)n2c1 ZINC000151388148 604972613 /nfs/dbraw/zinc/97/26/13/604972613.db2.gz ITYAOMJSHVTUAI-VMPITWQZSA-N -1 0 336.347 3.002 20 30 EGEDRM C#CCCCCC(=O)NC[C@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000833362599 605013157 /nfs/dbraw/zinc/01/31/57/605013157.db2.gz ABWHHFPYKOULGP-IBGZPJMESA-N -1 0 337.419 3.393 20 30 EGEDRM C#CCN(CC)C(=O)c1ccccc1SCc1occc1C(=O)[O-] ZINC000833364225 605043315 /nfs/dbraw/zinc/04/33/15/605043315.db2.gz HMFGRGOVXSGTNY-UHFFFAOYSA-N -1 0 343.404 3.365 20 30 EGEDRM C=CCCO[C@@H](C)C(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000833373990 605093482 /nfs/dbraw/zinc/09/34/82/605093482.db2.gz MLAJGEVGPCJRGE-VIFPVBQESA-N -1 0 342.189 3.067 20 30 EGEDRM CC(=NNc1ccccc1C(=O)[O-])c1nnn(-c2ccccc2)c1C ZINC000747610503 605100307 /nfs/dbraw/zinc/10/03/07/605100307.db2.gz DEXLVXDJFVYUAF-UHFFFAOYSA-N -1 0 335.367 3.110 20 30 EGEDRM C[C@@H](CC#N)N(C)C(=O)Nc1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC000320970208 605135044 /nfs/dbraw/zinc/13/50/44/605135044.db2.gz MSBKFMLXQHOJKH-QMMMGPOBSA-N -1 0 329.278 3.169 20 30 EGEDRM Cc1ccc(C#N)c(N2CCC(Nc3cccc(C(=O)[O-])c3)CC2)n1 ZINC000833747536 605160739 /nfs/dbraw/zinc/16/07/39/605160739.db2.gz UGYXGACQOSTNSK-UHFFFAOYSA-N -1 0 336.395 3.041 20 30 EGEDRM C=CCCC[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000398079500 605249970 /nfs/dbraw/zinc/24/99/70/605249970.db2.gz QNAORZRGYUQQDS-JTQLQIEISA-N -1 0 331.821 3.061 20 30 EGEDRM C=CCCC[C@@H](C)NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000398076657 605250275 /nfs/dbraw/zinc/25/02/75/605250275.db2.gz PEFCCEHDVLGBLS-SNVBAGLBSA-N -1 0 331.821 3.061 20 30 EGEDRM N#CCCN(Cc1ccccn1)Cc1cc(C(=O)[O-])ccc1Cl ZINC000833760219 605839564 /nfs/dbraw/zinc/83/95/64/605839564.db2.gz LEMVSPWHKVICSF-UHFFFAOYSA-N -1 0 329.787 3.349 20 30 EGEDRM COc1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1CC(=O)[O-] ZINC000013066820 1291135181 /nfs/dbraw/zinc/13/51/81/1291135181.db2.gz RYMJVOFDLUODEA-XBXARRHUSA-N -1 0 341.319 3.127 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2cccc(OC(F)F)c2)cc1 ZINC000046927361 1291556996 /nfs/dbraw/zinc/55/69/96/1291556996.db2.gz WFCLWGANEDFRIF-UHFFFAOYSA-N -1 0 341.335 3.290 20 30 EGEDRM CCCc1nc(C)c(C(=O)[N-]S(=O)(=O)c2ccccc2C)s1 ZINC000048426853 1291604807 /nfs/dbraw/zinc/60/48/07/1291604807.db2.gz QRFULBUVWCLPKZ-UHFFFAOYSA-N -1 0 338.454 3.406 20 30 EGEDRM C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)[N-]S(C)(=O)=O ZINC000048487414 1291606584 /nfs/dbraw/zinc/60/65/84/1291606584.db2.gz IKXOKBPBLSRPIP-ZCFIWIBFSA-N -1 0 328.242 3.390 20 30 EGEDRM Cc1ccc(Br)cc1S(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1C ZINC000048487553 1291606803 /nfs/dbraw/zinc/60/68/03/1291606803.db2.gz SQMHYGMFYVCERU-PSASIEDQSA-N -1 0 332.219 3.059 20 30 EGEDRM Cc1csc(SCc2ccc(C(=O)[N-]S(C)(=O)=O)cc2)n1 ZINC000048479641 1291606948 /nfs/dbraw/zinc/60/69/48/1291606948.db2.gz WHLGYWIIPKRXBD-UHFFFAOYSA-N -1 0 342.467 3.008 20 30 EGEDRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)CCc1ccc(Cl)cc1 ZINC000048491075 1291608231 /nfs/dbraw/zinc/60/82/31/1291608231.db2.gz ASLLWMRHLVTQRO-UHFFFAOYSA-N -1 0 342.804 3.223 20 30 EGEDRM Cn1cc(Cl)cc1C(=O)[N-]S(=O)(=O)c1ccccc1Cl ZINC000048518917 1291608658 /nfs/dbraw/zinc/60/86/58/1291608658.db2.gz AMRIBKRRABOKEY-UHFFFAOYSA-N -1 0 333.196 3.025 20 30 EGEDRM Cc1ccoc1C(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000048614297 1291613805 /nfs/dbraw/zinc/61/38/05/1291613805.db2.gz GQOLSFGTALPZIA-UHFFFAOYSA-N -1 0 333.287 3.300 20 30 EGEDRM CCCCS(=O)(=O)[N-]C(=O)c1ccccc1Oc1cccnc1 ZINC000052367777 1291703607 /nfs/dbraw/zinc/70/36/07/1291703607.db2.gz OFTLWPYXHIFOGY-UHFFFAOYSA-N -1 0 334.397 3.308 20 30 EGEDRM C[C@H](CC(=O)[N-]S(=O)(=O)N1CCCCC1)c1ccc(F)cc1 ZINC000052793772 1291711968 /nfs/dbraw/zinc/71/19/68/1291711968.db2.gz YFSDIDWBCFCPIF-GFCCVEGCSA-N -1 0 328.409 3.007 20 30 EGEDRM COc1cc(/C=C2/COc3c(C)cccc3C2=O)cc([N+](=O)[O-])c1[O-] ZINC000063411592 1292008485 /nfs/dbraw/zinc/00/84/85/1292008485.db2.gz HZTRFISAJQQNGR-SDQBBNPISA-N -1 0 341.319 3.276 20 30 EGEDRM C[C@H](CCOc1ccccc1)C(=O)[N-]S(=O)(=O)c1ccccc1 ZINC000075025003 1292378677 /nfs/dbraw/zinc/37/86/77/1292378677.db2.gz KTQFWBIKIXZNRW-CQSZACIVSA-N -1 0 333.409 3.437 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)CC[C@@H]2CC[C@H](C)O2)c(C)c1 ZINC000076757977 1292440243 /nfs/dbraw/zinc/44/02/43/1292440243.db2.gz NXRBUOLEOALCDM-KBPBESRZSA-N -1 0 325.430 3.296 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)c2cccc(F)c2Cl)cc1 ZINC000076759032 1292441128 /nfs/dbraw/zinc/44/11/28/1292441128.db2.gz FHQUBVXVTXKVAB-UHFFFAOYSA-N -1 0 338.747 3.044 20 30 EGEDRM CCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1cc(C)c(C)c([N+](=O)[O-])c1 ZINC000076759205 1292441543 /nfs/dbraw/zinc/44/15/43/1292441543.db2.gz BFVCIGCAPWRYQI-SECBINFHSA-N -1 0 328.390 3.293 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCOc3ccccc32)cc1 ZINC000077558618 1292471719 /nfs/dbraw/zinc/47/17/19/1292471719.db2.gz NSCLMUUXNLMVTH-HNNXBMFYSA-N -1 0 331.393 3.207 20 30 EGEDRM COc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2c2ccccc2C)cc1 ZINC000077940533 1292490846 /nfs/dbraw/zinc/49/08/46/1292490846.db2.gz VFFHEZJNZBESEH-DLBZAZTESA-N -1 0 345.420 3.453 20 30 EGEDRM CCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000079727647 1292572657 /nfs/dbraw/zinc/57/26/57/1292572657.db2.gz TZQFYRWCGPXCMW-ZETCQYMHSA-N -1 0 326.201 3.064 20 30 EGEDRM C[C@H](CC(=O)[N-]S(=O)(=O)c1ccccc1)C(=O)c1cccc(F)c1 ZINC000080250164 1292591745 /nfs/dbraw/zinc/59/17/45/1292591745.db2.gz HUTFFWKVFPDKGZ-GFCCVEGCSA-N -1 0 349.383 3.380 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2cccc(F)c2F)c(F)c1 ZINC000080667341 1292613676 /nfs/dbraw/zinc/61/36/76/1292613676.db2.gz MRXMUPMQHAWTGY-UHFFFAOYSA-N -1 0 329.299 3.106 20 30 EGEDRM O=C([N-]S(=O)(=O)C1CCCC1)c1ccc(Br)cc1 ZINC000086056558 1292728686 /nfs/dbraw/zinc/72/86/86/1292728686.db2.gz DXBTXJUPCACQDG-UHFFFAOYSA-N -1 0 332.219 3.026 20 30 EGEDRM CC(C)C[C@H](C)OCCC(=O)[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000088799704 1292756861 /nfs/dbraw/zinc/75/68/61/1292756861.db2.gz NVUDJBCLGJHHBE-LBPRGKRZSA-N -1 0 331.409 3.312 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)CSc1cc(Cl)ccc1Cl ZINC000092463456 1292870792 /nfs/dbraw/zinc/87/07/92/1292870792.db2.gz VJKSHASCTSYYFF-UHFFFAOYSA-N -1 0 334.224 3.185 20 30 EGEDRM CNC(=O)C(C#N)=C([O-])c1cc(C)c(-c2cccc(Cl)c2)s1 ZINC000102596076 1292979148 /nfs/dbraw/zinc/97/91/48/1292979148.db2.gz WOVBNMAWRMFHAA-LBPRGKRZSA-N -1 0 332.812 3.445 20 30 EGEDRM CN(C)[C@H](C/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1c(F)cccc1F ZINC000114990718 1293181309 /nfs/dbraw/zinc/18/13/09/1293181309.db2.gz KTWXCUZNHHECIK-UPWAIKHBSA-N -1 0 349.337 3.300 20 30 EGEDRM C=CCC1(C(=O)[N-]S(=O)(=O)c2cccc(Cl)c2)CCCC1 ZINC000835031203 1293191433 /nfs/dbraw/zinc/19/14/33/1293191433.db2.gz FWOPYTKGJRHJFT-UHFFFAOYSA-N -1 0 327.833 3.281 20 30 EGEDRM C=CC[C@H](C(=O)[N-]S(=O)(=O)CCC1CCCC1)c1ccccc1 ZINC000835949712 1293408155 /nfs/dbraw/zinc/40/81/55/1293408155.db2.gz JYRXMJUSZDQZLE-KRWDZBQOSA-N -1 0 335.469 3.373 20 30 EGEDRM C=C[C@@H](CC(=O)[N-]S(=O)(=O)CCC1CCCC1)c1ccccc1 ZINC000835947933 1293408452 /nfs/dbraw/zinc/40/84/52/1293408452.db2.gz NFMVUKRETVYYRI-INIZCTEOSA-N -1 0 335.469 3.373 20 30 EGEDRM CCCCCCCC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000123741213 1293453586 /nfs/dbraw/zinc/45/35/86/1293453586.db2.gz VYMLDHDAYNQFFT-UHFFFAOYSA-N -1 0 342.417 3.069 20 30 EGEDRM CCCCCCCCC(=O)[N-]S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000127310152 1293559386 /nfs/dbraw/zinc/55/93/86/1293559386.db2.gz XXGMHMOESFBUOV-UHFFFAOYSA-N -1 0 346.880 3.432 20 30 EGEDRM Cn1c(Cl)c(Cl)cc1C([O-])=C(C#N)C(=O)NC1CCCCC1 ZINC000127348508 1293560325 /nfs/dbraw/zinc/56/03/25/1293560325.db2.gz RIEFHBZYKRIZLL-SNVBAGLBSA-N -1 0 342.226 3.103 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cnc([C@@H]2CCCO2)s1 ZINC000127674266 1293570291 /nfs/dbraw/zinc/57/02/91/1293570291.db2.gz PWEOBYQLBCECDA-STQMWFEESA-N -1 0 349.456 3.014 20 30 EGEDRM Cc1cccc([C@H](O)C/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])c1 ZINC000128464881 1293594043 /nfs/dbraw/zinc/59/40/43/1293594043.db2.gz GUDLSKUGIUCHKG-RIEVCORGSA-N -1 0 334.759 3.415 20 30 EGEDRM CCCOc1ccc(C([O-])=C(C#N)C(=O)NC(C)C)cc1OCCC ZINC000130869351 1293672056 /nfs/dbraw/zinc/67/20/56/1293672056.db2.gz SBKQXLMWBJILFB-HNNXBMFYSA-N -1 0 346.427 3.111 20 30 EGEDRM CC(C)NC(=O)C(C#N)=C([O-])c1csc(-c2cccc(Cl)c2)n1 ZINC000130889267 1293672139 /nfs/dbraw/zinc/67/21/39/1293672139.db2.gz XUTAPZKRQCUFDK-LBPRGKRZSA-N -1 0 347.827 3.311 20 30 EGEDRM Cc1cccc(-c2cncc(C([O-])=C(C#N)C(=O)N3CCCC3)c2)c1 ZINC000131954139 1293704880 /nfs/dbraw/zinc/70/48/80/1293704880.db2.gz SJJFQOHTZBJBAX-SFHVURJKSA-N -1 0 333.391 3.002 20 30 EGEDRM O=C(/C=C/c1cccc2c1OCCCO2)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000136504139 1293816415 /nfs/dbraw/zinc/81/64/15/1293816415.db2.gz MUMOSSUREAPOBY-FNORWQNLSA-N -1 0 341.319 3.358 20 30 EGEDRM N#CCOc1cc(F)ccc1NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000159523454 1294239200 /nfs/dbraw/zinc/23/92/00/1294239200.db2.gz MESUQJBRBSTKQF-UHFFFAOYSA-N -1 0 343.339 3.410 20 30 EGEDRM N#Cc1ccc(O)c([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000175686253 1294568934 /nfs/dbraw/zinc/56/89/34/1294568934.db2.gz ZSWFQXNWQHXSMX-UHFFFAOYSA-N -1 0 342.298 3.083 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)CCc2cnn(-c3ccccc3)c2)c1 ZINC000176821611 1294634680 /nfs/dbraw/zinc/63/46/80/1294634680.db2.gz BAWWWBAGTQHNQF-UHFFFAOYSA-N -1 0 332.363 3.021 20 30 EGEDRM CCc1nn(C)cc1/C=C/C(=O)c1ccc(OCCCC(=O)[O-])cc1 ZINC000179731288 1294821406 /nfs/dbraw/zinc/82/14/06/1294821406.db2.gz HZYUIYIWRHZTQP-DHZHZOJOSA-N -1 0 342.395 3.122 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1sccc1Br ZINC000193379560 1295857599 /nfs/dbraw/zinc/85/75/99/1295857599.db2.gz JGPMNSVEQXHIII-VIFPVBQESA-N -1 0 343.246 3.139 20 30 EGEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2ccc(Cl)s2)cc1 ZINC000193751708 1295907438 /nfs/dbraw/zinc/90/74/38/1295907438.db2.gz LCNGYYQYZKQIDG-GFCCVEGCSA-N -1 0 348.811 3.049 20 30 EGEDRM O=C([O-])CCOc1cccc(/C=C\C(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000208112192 1296098162 /nfs/dbraw/zinc/09/81/62/1296098162.db2.gz HFPYOZUZNHGJLX-WTKPLQERSA-N -1 0 341.319 3.344 20 30 EGEDRM COc1cc(OC)c(OC)cc1/C=C\C(=O)c1ccc(O)cc1[O-] ZINC000210009413 1296102000 /nfs/dbraw/zinc/10/20/00/1296102000.db2.gz AZNIBGZCLFHAFA-DAXSKMNVSA-N -1 0 330.336 3.020 20 30 EGEDRM C#CCOc1cccc(NC(=O)CC2(CC(=O)[O-])CCCCC2)c1 ZINC000238090842 1296277431 /nfs/dbraw/zinc/27/74/31/1296277431.db2.gz DZWPHTYNVIRDEJ-UHFFFAOYSA-N -1 0 329.396 3.452 20 30 EGEDRM CC(=O)Nc1cccc(C(=O)/C=C\c2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000255321086 1296519252 /nfs/dbraw/zinc/51/92/52/1296519252.db2.gz NYCIXMORSMOHGT-YVMONPNESA-N -1 0 326.308 3.155 20 30 EGEDRM COc1ccc(N=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1CO ZINC000255357609 1296523552 /nfs/dbraw/zinc/52/35/52/1296523552.db2.gz AHNOMUDVSXWQLP-UHFFFAOYSA-N -1 0 336.731 3.205 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2ccc(F)c(C(F)(F)F)c2)C(=O)O1 ZINC000255476347 1296536918 /nfs/dbraw/zinc/53/69/18/1296536918.db2.gz GBVQKPWDGOCQIA-PKXJPQMGSA-N -1 0 342.244 3.073 20 30 EGEDRM O=C(C/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-])OC1CCCCC1 ZINC000255491789 1296537143 /nfs/dbraw/zinc/53/71/43/1296537143.db2.gz QIWMLBZWVKDLFT-IUXPMGMMSA-N -1 0 340.763 3.249 20 30 EGEDRM Cc1ccccc1[C@@H](O)C/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000304062964 1296896251 /nfs/dbraw/zinc/89/62/51/1296896251.db2.gz RDCFLODTLCHEKA-AOVQIXHVSA-N -1 0 334.759 3.415 20 30 EGEDRM N#CCc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C#N)cc1 ZINC000316991198 1297143174 /nfs/dbraw/zinc/14/31/74/1297143174.db2.gz PQQAPJCHSARZSO-UHFFFAOYSA-N -1 0 331.784 3.079 20 30 EGEDRM Cc1nn(C)cc1/C=C\C(=O)c1cc(Br)cc(F)c1[O-] ZINC000588425603 1298063911 /nfs/dbraw/zinc/06/39/11/1298063911.db2.gz VKNQHVXZVMAMDS-ARJAWSKDSA-N -1 0 339.164 3.232 20 30 EGEDRM COc1cc(/C=C\C(=O)c2ccc(C)o2)ccc1OCCC(=O)[O-] ZINC000588428778 1298066285 /nfs/dbraw/zinc/06/62/85/1298066285.db2.gz QXABBWWMYJEIGD-XQRVVYSFSA-N -1 0 330.336 3.346 20 30 EGEDRM O=C([O-])CCOc1ccc(/C=C2\Oc3cc(F)cc(F)c3C2=O)cc1 ZINC000588450288 1298068023 /nfs/dbraw/zinc/06/80/23/1298068023.db2.gz VOYAGVXGTWYVMV-CHHVJCJISA-N -1 0 346.285 3.435 20 30 EGEDRM O=C([O-])COc1cccc(C(=O)/C=C\c2nccn2-c2ccccc2)c1 ZINC000588579865 1298087701 /nfs/dbraw/zinc/08/77/01/1298087701.db2.gz WGXRXNBXQFYHMM-KTKRTIGZSA-N -1 0 348.358 3.232 20 30 EGEDRM O=C(/C=C\c1ccc2c(c1)NC(=O)CO2)c1ccc([O-])c(Cl)c1 ZINC000588615413 1298091639 /nfs/dbraw/zinc/09/16/39/1298091639.db2.gz FQQRZRYMPRYWLT-RJRFIUFISA-N -1 0 329.739 3.273 20 30 EGEDRM O=C([O-])CCOc1cccc(/C=C/C(=O)c2ccc3c(c2)CCO3)c1 ZINC000746684353 1298642565 /nfs/dbraw/zinc/64/25/65/1298642565.db2.gz NUDRHRRPKJIBGJ-GQCTYLIASA-N -1 0 338.359 3.371 20 30 EGEDRM Cc1ccc(C)c(NC(=S)NN=Cc2ccc([N+](=O)[O-])c([O-])c2)c1 ZINC000748132738 1298933225 /nfs/dbraw/zinc/93/32/25/1298933225.db2.gz ZMXSLUXMNBGBBW-UHFFFAOYSA-N -1 0 344.396 3.238 20 30 EGEDRM N#C[C@@H]([N-]C(=O)C(F)(F)C(F)F)c1cccc(C(F)(F)F)c1 ZINC000749386914 1299206352 /nfs/dbraw/zinc/20/63/52/1299206352.db2.gz VKGBYLANHCLYNP-MRVPVSSYSA-N -1 0 328.187 3.287 20 30 EGEDRM CC(=NNC(=S)Nc1ccccc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000749604763 1299243861 /nfs/dbraw/zinc/24/38/61/1299243861.db2.gz DKEUIIYYMXQUKR-UHFFFAOYSA-N -1 0 330.369 3.011 20 30 EGEDRM COc1ccc(NN=C(C)c2ccc([O-])c([N+](=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000749625840 1299248793 /nfs/dbraw/zinc/24/87/93/1299248793.db2.gz HZIAPPXAZJVKRU-UHFFFAOYSA-N -1 0 346.299 3.053 20 30 EGEDRM C[C@H](Oc1cccc(/C=C2/Oc3ccc(F)cc3C2=O)c1)C(=O)[O-] ZINC000749746986 1299263522 /nfs/dbraw/zinc/26/35/22/1299263522.db2.gz PYDLODVPSDYXRG-MDKXCRPYSA-N -1 0 328.295 3.294 20 30 EGEDRM O=C(/C=C\c1ccc([N+](=O)[O-])c([O-])c1)c1cc([N+](=O)[O-])ccc1F ZINC000752875707 1299811840 /nfs/dbraw/zinc/81/18/40/1299811840.db2.gz SKXIBFXPKLZLQJ-KXFIGUGUSA-N -1 0 332.243 3.244 20 30 EGEDRM CCN1C(=O)C(=NN=Cc2cccc(Cl)c2[O-])c2ccccc21 ZINC000753162230 1299887488 /nfs/dbraw/zinc/88/74/88/1299887488.db2.gz VXEXERIMSLXECX-UHFFFAOYSA-N -1 0 327.771 3.235 20 30 EGEDRM C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000753982515 1300057581 /nfs/dbraw/zinc/05/75/81/1300057581.db2.gz QHTYSYQDXKELDR-UHFFFAOYSA-N -1 0 345.351 3.385 20 30 EGEDRM COc1cc2c(c(C=NNc3ccc(C(=O)[O-])cc3)c1)O[C@H](C)C2 ZINC000755456321 1300342304 /nfs/dbraw/zinc/34/23/04/1300342304.db2.gz VBLUCQTULKWWPG-LLVKDONJSA-N -1 0 326.352 3.163 20 30 EGEDRM CC(=NNC(=S)Nc1ccccc1C)c1cc(C(=O)[O-])ccc1O ZINC000757450577 1300671732 /nfs/dbraw/zinc/67/17/32/1300671732.db2.gz FMIVIYAHGXDFED-UHFFFAOYSA-N -1 0 343.408 3.109 20 30 EGEDRM Cc1ccc(O)c(C(=O)/C=C\c2cccc(OCCC(=O)[O-])c2)c1 ZINC000757475274 1300675736 /nfs/dbraw/zinc/67/57/36/1300675736.db2.gz IPRZUSXIXHGVJR-VURMDHGXSA-N -1 0 326.348 3.450 20 30 EGEDRM C#CC[C@H](NC(=O)c1nn(-c2ccccc2F)cc1[O-])c1ccccc1 ZINC000757625206 1300696595 /nfs/dbraw/zinc/69/65/95/1300696595.db2.gz XOURBURJNOJRIX-INIZCTEOSA-N -1 0 349.365 3.211 20 30 EGEDRM Cn1nc(C/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])c2ccccc21 ZINC000758815198 1300958581 /nfs/dbraw/zinc/95/85/81/1300958581.db2.gz JZGFDNSVHVQSGN-LSCVHKIXSA-N -1 0 344.758 3.460 20 30 EGEDRM CCC(N=Nc1ccccc1S(C)(=O)=O)c1ccc(C(=O)[O-])cc1 ZINC000760258647 1301241840 /nfs/dbraw/zinc/24/18/40/1301241840.db2.gz LNDGLSZITCQNNR-UHFFFAOYSA-N -1 0 346.408 3.015 20 30 EGEDRM COCc1c(C([O-])=C(C#N)c2ccncn2)sc2cccc(F)c21 ZINC000760342125 1301256503 /nfs/dbraw/zinc/25/65/03/1301256503.db2.gz VSAHBNZGOQLECM-SNVBAGLBSA-N -1 0 341.367 3.467 20 30 EGEDRM COc1ccsc1/C=C\C(=O)c1ccc(OC)c(CC(=O)[O-])c1 ZINC000764434053 1302062739 /nfs/dbraw/zinc/06/27/39/1302062739.db2.gz UUEATPMXVJOJCD-XQRVVYSFSA-N -1 0 332.377 3.289 20 30 EGEDRM CCC[C@H](C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)C(C)C ZINC000764626542 1302104770 /nfs/dbraw/zinc/10/47/70/1302104770.db2.gz MSGWJMCXCXOKED-ZDUSSCGKSA-N -1 0 342.848 3.089 20 30 EGEDRM O=C([O-])c1csc(/C=C\C(=O)c2ccc(N3CCCC3=O)cc2)c1 ZINC000765824507 1302335266 /nfs/dbraw/zinc/33/52/66/1302335266.db2.gz MLLJTGUZCGUBPI-FPLPWBNLSA-N -1 0 341.388 3.469 20 30 EGEDRM O=C([O-])c1csc(/C=C/C(=O)c2ccc(N3CCCC3=O)cc2)c1 ZINC000765824504 1302336403 /nfs/dbraw/zinc/33/64/03/1302336403.db2.gz MLLJTGUZCGUBPI-BQYQJAHWSA-N -1 0 341.388 3.469 20 30 EGEDRM N#Cc1ccc(/C=C/C(=O)c2cccc(OCC(=O)[O-])c2)c(F)c1 ZINC000772798615 1303578503 /nfs/dbraw/zinc/57/85/03/1303578503.db2.gz VJVLRMGGJTVXCZ-VOTSOKGWSA-N -1 0 325.295 3.057 20 30 EGEDRM COC[C@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])c1ccc(F)c(F)c1 ZINC000773152113 1303634252 /nfs/dbraw/zinc/63/42/52/1303634252.db2.gz QFRHCGROWJZBPC-CPIUSTHESA-N -1 0 336.294 3.385 20 30 EGEDRM C=CCCC[C@H](C)OC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000773872784 1303749641 /nfs/dbraw/zinc/74/96/41/1303749641.db2.gz VNUYVDUXBANIPI-NSHDSACASA-N -1 0 332.425 3.124 20 30 EGEDRM CCO[C@@H]1CC(N=Nc2ccccc2C(=O)[O-])[C@@H]1Oc1ccccc1 ZINC000774349911 1303801354 /nfs/dbraw/zinc/80/13/54/1303801354.db2.gz MWLDLEHGKXIRFL-MSOLQXFVSA-N -1 0 340.379 3.409 20 30 EGEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2F)c(C)c(C)c1O ZINC000775291472 1303935341 /nfs/dbraw/zinc/93/53/41/1303935341.db2.gz IFUHZVFNWOSMNP-UHFFFAOYSA-N -1 0 334.372 3.129 20 30 EGEDRM CC[C@@H]1c2ccccc2CN1C(=O)c1cc(C#N)c(SC)[n-]c1=O ZINC000890609105 1304834305 /nfs/dbraw/zinc/83/43/05/1304834305.db2.gz DSRZXZZPAPRQNV-OAHLLOKOSA-N -1 0 339.420 3.488 20 30 EGEDRM Cc1c(C(=O)/C=C/c2cc(C(=O)[O-])cs2)cnn1-c1ccccn1 ZINC000782206182 1304931462 /nfs/dbraw/zinc/93/14/62/1304931462.db2.gz HXDIRAYTLYJYAQ-AATRIKPKSA-N -1 0 339.376 3.232 20 30 EGEDRM CC[C@H]1CC[C@H](C(=O)OCC([O-])=C(C#N)c2nc(C)cs2)CC1 ZINC000782399698 1304968419 /nfs/dbraw/zinc/96/84/19/1304968419.db2.gz KDRPAZGDGMOOMP-MGPQQGTHSA-N -1 0 334.441 3.387 20 30 EGEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1cc2c(cncc2Cl)s1 ZINC000892530638 1305428017 /nfs/dbraw/zinc/42/80/17/1305428017.db2.gz TUGWTKKVUDZJLH-LLVKDONJSA-N -1 0 347.827 3.331 20 30 EGEDRM Cc1ccc(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)cc1 ZINC000786547816 1305595367 /nfs/dbraw/zinc/59/53/67/1305595367.db2.gz XUNNUQDULDHAPJ-MRXNPFEDSA-N -1 0 326.783 3.287 20 30 EGEDRM N#CC(C(=O)NCc1ccc(F)cc1F)=C([O-])c1ccc(Cl)cc1 ZINC000786555011 1305596891 /nfs/dbraw/zinc/59/68/91/1305596891.db2.gz QWVXDWKJNJSXOV-CQSZACIVSA-N -1 0 348.736 3.257 20 30 EGEDRM CCc1ccc(C([O-])=C(C#N)C(=O)NCc2ccc(F)c(F)c2)cc1 ZINC000786567856 1305600849 /nfs/dbraw/zinc/60/08/49/1305600849.db2.gz FHAOLTXOVHMVEV-OAHLLOKOSA-N -1 0 342.345 3.166 20 30 EGEDRM C=CC(C)(C)CC(=O)[N-]S(=O)(=O)C1CCC(C(F)(F)F)CC1 ZINC000893035375 1305673718 /nfs/dbraw/zinc/67/37/18/1305673718.db2.gz ZNYCYVDEEYGSFP-UHFFFAOYSA-N -1 0 341.395 3.156 20 30 EGEDRM CC(C)(C)C1CCN(N=Cc2[nH]nc3cc(C(=O)[O-])ccc23)CC1 ZINC000790178913 1306272578 /nfs/dbraw/zinc/27/25/78/1306272578.db2.gz OHJWUBGKHFSOKO-UHFFFAOYSA-N -1 0 328.416 3.353 20 30 EGEDRM CCN(C)c1ccc(/C=C/C(=O)c2cc([N+](=O)[O-])ccc2[O-])cn1 ZINC000790226012 1306279544 /nfs/dbraw/zinc/27/95/44/1306279544.db2.gz YWPIBXDHWWYPPV-QPJJXVBHSA-N -1 0 327.340 3.048 20 30 EGEDRM Cc1nn(C)c(/C=C/C(=O)c2cc(F)ccc2[O-])c1Br ZINC000790600690 1306357428 /nfs/dbraw/zinc/35/74/28/1306357428.db2.gz LGINFKHAPFKDFY-GQCTYLIASA-N -1 0 339.164 3.232 20 30 EGEDRM CC[C@H](NN=Cc1ccc(OCc2ccccc2F)cc1)C(=O)[O-] ZINC000793077692 1309291952 /nfs/dbraw/zinc/29/19/52/1309291952.db2.gz GTPOCTNZOGPNMF-KRWDZBQOSA-N -1 0 330.359 3.191 20 30 EGEDRM CNc1c(C([O-])=C(C#N)c2cnc3ccccc3n2)cccc1[N+](=O)[O-] ZINC000793280522 1309338844 /nfs/dbraw/zinc/33/88/44/1309338844.db2.gz GEZFXKJBAOPJST-LBPRGKRZSA-N -1 0 347.334 3.070 20 30 EGEDRM Cc1nc2cc([N-]S(=O)(=O)c3ccc(C#N)c(F)c3)ccc2s1 ZINC000793414861 1309368836 /nfs/dbraw/zinc/36/88/36/1309368836.db2.gz HLVUVAYDVQPFGJ-UHFFFAOYSA-N -1 0 347.396 3.416 20 30 EGEDRM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cnc(Cl)cc2C#N)c1 ZINC000798211761 1310317997 /nfs/dbraw/zinc/31/79/97/1310317997.db2.gz KWVKAUTVHAZXNZ-UHFFFAOYSA-N -1 0 349.799 3.000 20 30 EGEDRM CCc1cccc(C)c1NN=Cc1ccc(OCC(=O)[O-])c(OC)c1 ZINC000799493606 1310562236 /nfs/dbraw/zinc/56/22/36/1310562236.db2.gz ITNJVOXFQSEOPR-UHFFFAOYSA-N -1 0 342.395 3.475 20 30 EGEDRM Cn1c2ccccc2nc1NN=Cc1cn(CC(=O)[O-])c2ccccc12 ZINC000799875575 1310631435 /nfs/dbraw/zinc/63/14/35/1310631435.db2.gz HOINDUYIUAAZAH-UHFFFAOYSA-N -1 0 347.378 3.059 20 30 EGEDRM COc1cc(/C=C\C(=O)c2cc(C)c(C)o2)ccc1OCC(=O)[O-] ZINC000799895758 1310635735 /nfs/dbraw/zinc/63/57/35/1310635735.db2.gz DFFFBNRODLQWBC-XQRVVYSFSA-N -1 0 330.336 3.265 20 30 EGEDRM C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1cccc(OCC)c1 ZINC000799922161 1310638182 /nfs/dbraw/zinc/63/81/82/1310638182.db2.gz VQXWKRMGIXEXNC-UHFFFAOYSA-N -1 0 349.383 3.037 20 30 EGEDRM Cc1[nH]c(CN=Nc2nc(-c3ccc(Cl)cc3)no2)cc1C(=O)[O-] ZINC000800813088 1310810485 /nfs/dbraw/zinc/81/04/85/1310810485.db2.gz RTRLMEAZZOGBMY-UHFFFAOYSA-N -1 0 345.746 3.171 20 30 EGEDRM Cc1ccccc1Oc1ccc(C([O-])=C(C#N)C(=O)N2CCCC2)nc1 ZINC000838786535 1320816364 /nfs/dbraw/zinc/81/63/64/1320816364.db2.gz HQKDUKMCFGTNKQ-MRXNPFEDSA-N -1 0 349.390 3.127 20 30 EGEDRM Cc1cc(=O)c(COC(=O)c2ccccc2-c2ccccc2C#N)n[n-]1 ZINC000802170759 1316982393 /nfs/dbraw/zinc/98/23/93/1316982393.db2.gz IYFAQJQMNHBRSY-UHFFFAOYSA-N -1 0 345.358 3.386 20 30 EGEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1coc(C2CC2)n1)c1ccccc1 ZINC000802219484 1316990501 /nfs/dbraw/zinc/99/05/01/1316990501.db2.gz XXHGSOYISLFUIM-LSDHHAIUSA-N -1 0 337.379 3.142 20 30 EGEDRM Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C/c1cnn(C3CCC3)c1)CC2 ZINC000899348437 1316997514 /nfs/dbraw/zinc/99/75/14/1316997514.db2.gz YPGFHCNMLWTUKS-KPKJPENVSA-N -1 0 326.352 3.420 20 30 EGEDRM C[C@H](CCc1ccc2c(c1)OCO2)NN=Cc1ccccc1C(=O)[O-] ZINC000802713641 1317028240 /nfs/dbraw/zinc/02/82/40/1317028240.db2.gz QFOBJFXZKDOEJR-CYBMUJFWSA-N -1 0 340.379 3.058 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2sccc2Cl)n1 ZINC000803769371 1317154720 /nfs/dbraw/zinc/15/47/20/1317154720.db2.gz PWTJDWKGFVWPCJ-QMMMGPOBSA-N -1 0 340.813 3.200 20 30 EGEDRM CS[C@H]1CCCC(=NNc2nc(=O)c3cnn(C(C)(C)C)c3[nH]2)C1 ZINC000901189716 1317391700 /nfs/dbraw/zinc/39/17/00/1317391700.db2.gz UWNHJLRFESYSRU-NSHDSACASA-N -1 0 348.476 3.360 20 30 EGEDRM Cc1c(C(=O)[O-])oc2c1C(=NNc1nccnc1C1CCC1)CCC2 ZINC000807990608 1317607952 /nfs/dbraw/zinc/60/79/52/1317607952.db2.gz AQYYBJPWBFJSTM-UHFFFAOYSA-N -1 0 340.383 3.496 20 30 EGEDRM Cc1cccc(S(=O)(=O)Nc2cc(Cl)c([O-])cc2F)c1C#N ZINC000808115339 1317626908 /nfs/dbraw/zinc/62/69/08/1317626908.db2.gz YJCVBEXTQBCSFS-UHFFFAOYSA-N -1 0 340.763 3.166 20 30 EGEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1ocnc1C1CC1)c1ccccc1 ZINC000809003057 1317757826 /nfs/dbraw/zinc/75/78/26/1317757826.db2.gz LPOPYRNMRUTDIY-CABCVRRESA-N -1 0 337.379 3.142 20 30 EGEDRM C#CCCS(=O)(=O)[N-]C(=O)[C@H]1CC12CCC(C(C)(C)CC)CC2 ZINC000810782917 1318056030 /nfs/dbraw/zinc/05/60/30/1318056030.db2.gz WWQWNAZDBDYSEX-SWKXRBFHSA-N -1 0 339.501 3.088 20 30 EGEDRM CC#CCS(=O)(=O)[N-]C(=O)c1cc(-c2ccccc2)ccc1Cl ZINC000810775663 1318056824 /nfs/dbraw/zinc/05/68/24/1318056824.db2.gz OYDMBQROGANQIT-UHFFFAOYSA-N -1 0 347.823 3.090 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)/C(C)=C/c2cccc(Cl)c2)CC1 ZINC000810980422 1318085325 /nfs/dbraw/zinc/08/53/25/1318085325.db2.gz XBMGNBMJNBUPCB-ZRDIBKRKSA-N -1 0 339.844 3.298 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)CC1 ZINC000810983662 1318086403 /nfs/dbraw/zinc/08/64/03/1318086403.db2.gz FHVJGRSCRODREB-RBSFLKMASA-N -1 0 325.474 3.148 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)CCc2ccc(C(C)(C)C)cc2)CC1 ZINC000810988367 1318088016 /nfs/dbraw/zinc/08/80/16/1318088016.db2.gz OBCWVENSLLCFIQ-UHFFFAOYSA-N -1 0 349.496 3.471 20 30 EGEDRM COc1ccc(C(=O)/C=C\c2cccc(O[C@H](C)C(=O)[O-])c2)cc1O ZINC000811696829 1318229177 /nfs/dbraw/zinc/22/91/77/1318229177.db2.gz AHRMTUGIBCCESP-XYLWRLHESA-N -1 0 342.347 3.149 20 30 EGEDRM COc1ccc(C(=O)/C=C\c2cccc(O[C@@H](C)C(=O)[O-])c2)cc1O ZINC000811696822 1318229239 /nfs/dbraw/zinc/22/92/39/1318229239.db2.gz AHRMTUGIBCCESP-VFFGBVLKSA-N -1 0 342.347 3.149 20 30 EGEDRM C#CC[C@@H](NC(=O)Nc1ccc2nc(C(C)C)sc2c1)C(=O)[O-] ZINC000908618106 1318374205 /nfs/dbraw/zinc/37/42/05/1318374205.db2.gz KASCWSBOALNTRM-GFCCVEGCSA-N -1 0 331.397 3.018 20 30 EGEDRM C#CC[C@H](NC(=O)Nc1cccc(CSC2CCCC2)c1)C(=O)[O-] ZINC000908625269 1318374418 /nfs/dbraw/zinc/37/44/18/1318374418.db2.gz GKZJVFGVMLWTLH-INIZCTEOSA-N -1 0 346.452 3.460 20 30 EGEDRM CON(C[C@H]1CCC[C@H](C)C1)C(=O)c1cc(C#N)c(SC)[n-]c1=O ZINC000812422630 1318389907 /nfs/dbraw/zinc/38/99/07/1318389907.db2.gz QHXOHZQMXSTOHT-RYUDHWBXSA-N -1 0 349.456 3.211 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])c(/C=N\C[C@@H]2CCN(c3ccccc3F)C2)c1 ZINC000812444404 1318395207 /nfs/dbraw/zinc/39/52/07/1318395207.db2.gz GIMRYYNZYFJYTI-GHOUAXAESA-N -1 0 343.358 3.385 20 30 EGEDRM C=CC[C@H](C(=O)N1CC[C@](C(=O)[O-])(C(F)(F)F)C1)c1ccccc1 ZINC000909766047 1318523448 /nfs/dbraw/zinc/52/34/48/1318523448.db2.gz XQRREYNKSXVLBD-BBRMVZONSA-N -1 0 341.329 3.212 20 30 EGEDRM C=CCC(C)(C)COC(=O)c1ccc2c(c1)[n-]c(=S)n(CC)c2=O ZINC000814004012 1318662352 /nfs/dbraw/zinc/66/23/52/1318662352.db2.gz AYCKVJJOZMPHBC-UHFFFAOYSA-N -1 0 346.452 3.464 20 30 EGEDRM C=C[C@H](CC(=O)N[C@@](C)(CC(=O)[O-])c1ccccn1)c1ccccc1 ZINC000911613069 1318752359 /nfs/dbraw/zinc/75/23/59/1318752359.db2.gz XQVQRGATQMDBCL-QRWLVFNGSA-N -1 0 338.407 3.248 20 30 EGEDRM O=C([O-])c1ccc2c(c1)CCCC2=NNc1ccc([N+](=O)[O-])cc1 ZINC000814683178 1318799602 /nfs/dbraw/zinc/79/96/02/1318799602.db2.gz XYOLPLFHONDHFR-UHFFFAOYSA-N -1 0 325.324 3.446 20 30 EGEDRM Cc1ccc(NC(=S)NN=C2CC[C@@H](C(=O)[O-])C[C@@H]2C)c(C)c1 ZINC000814707077 1318801911 /nfs/dbraw/zinc/80/19/11/1318801911.db2.gz IWOVURLFUWYRTP-QWHCGFSZSA-N -1 0 333.457 3.467 20 30 EGEDRM CCOc1ccc(NC(=S)NN=C2CC[C@@H](C(=O)[O-])[C@H](C)C2)cc1 ZINC000814718050 1318804112 /nfs/dbraw/zinc/80/41/12/1318804112.db2.gz ZPECMGWFLKVNQY-IAQYHMDHSA-N -1 0 349.456 3.249 20 30 EGEDRM Cc1ccc(F)c(NC(=S)NN=C2CC[C@@H](CC(=O)[O-])[C@H]2C)c1 ZINC000814820323 1318824112 /nfs/dbraw/zinc/82/41/12/1318824112.db2.gz YLXBCISPONATJL-MNOVXSKESA-N -1 0 337.420 3.297 20 30 EGEDRM CC(N=Nc1nc(-c2ccccc2)no1)c1csc(C(=O)[O-])c1 ZINC000814829173 1318827284 /nfs/dbraw/zinc/82/72/84/1318827284.db2.gz KUCWTJYOXLSAFF-UHFFFAOYSA-N -1 0 328.353 3.332 20 30 EGEDRM CC(=NNCCc1ccccc1F)c1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000814875862 1318837340 /nfs/dbraw/zinc/83/73/40/1318837340.db2.gz ZLXARWHVZUHZNP-CQSZACIVSA-N -1 0 344.386 3.234 20 30 EGEDRM CC(CCc1ccc(OCC(=O)[O-])cc1)=NOCCC(F)(F)F ZINC000814909233 1318846113 /nfs/dbraw/zinc/84/61/13/1318846113.db2.gz FNCLBLRJXHIOJC-UHFFFAOYSA-N -1 0 333.306 3.428 20 30 EGEDRM CC[C@@H](NN=C1CC2(CCCCC2)Oc2cc(O)ccc21)C(=O)[O-] ZINC000814936615 1318854527 /nfs/dbraw/zinc/85/45/27/1318854527.db2.gz BZFPGZPUGJTOEZ-CQSZACIVSA-N -1 0 332.400 3.035 20 30 EGEDRM CC[C@H](NN=C(Cc1c(F)cccc1Cl)c1ccoc1)C(=O)[O-] ZINC000814937182 1318854743 /nfs/dbraw/zinc/85/47/43/1318854743.db2.gz XGWRJCBIZCTZOP-AWEZNQCLSA-N -1 0 338.766 3.472 20 30 EGEDRM O=C([O-])CNN=Cc1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000814958641 1318860337 /nfs/dbraw/zinc/86/03/37/1318860337.db2.gz IFZUICANVFOPHZ-UHFFFAOYSA-N -1 0 330.196 3.125 20 30 EGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CCc1cncs1 ZINC000815899183 1319068693 /nfs/dbraw/zinc/06/86/93/1319068693.db2.gz ICPKYQDOPJKNSA-CQSZACIVSA-N -1 0 337.404 3.457 20 30 EGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CCc1cncs1 ZINC000815899182 1319069012 /nfs/dbraw/zinc/06/90/12/1319069012.db2.gz ICPKYQDOPJKNSA-AWEZNQCLSA-N -1 0 337.404 3.457 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(OC(F)F)c(F)c1 ZINC000815904431 1319069669 /nfs/dbraw/zinc/06/96/69/1319069669.db2.gz FUZAFLHVGAKDPC-LLVKDONJSA-N -1 0 342.317 3.056 20 30 EGEDRM CC(C)(C)Oc1ccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)nc1 ZINC000815906512 1319071513 /nfs/dbraw/zinc/07/15/13/1319071513.db2.gz BNIVOVZGSZYXNY-HNNXBMFYSA-N -1 0 343.427 3.030 20 30 EGEDRM C=CCC(F)(F)C(=O)[N-]S(=O)(=O)[C@H](c1ccccc1)C(C)C ZINC000816106093 1319102047 /nfs/dbraw/zinc/10/20/47/1319102047.db2.gz CDNZQAMJNYUHLI-ZDUSSCGKSA-N -1 0 331.384 3.041 20 30 EGEDRM CC(C)[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1cccc(C#N)c1 ZINC000816108361 1319103171 /nfs/dbraw/zinc/10/31/71/1319103171.db2.gz FHRHABVGXREDQV-QGZVFWFLSA-N -1 0 342.420 3.015 20 30 EGEDRM CC[C@H](NN=Cc1cnn(C2CCCC2)c1-c1ccccc1)C(=O)[O-] ZINC000817329350 1319327565 /nfs/dbraw/zinc/32/75/65/1319327565.db2.gz WUVOGPFWHAAIEX-KRWDZBQOSA-N -1 0 340.427 3.452 20 30 EGEDRM COc1cc(C(=O)/C=C\c2ccc(OCCC(=O)[O-])cc2)ccc1O ZINC000915654041 1319513317 /nfs/dbraw/zinc/51/33/17/1319513317.db2.gz RAFUAQWLQQBZFU-YWEYNIOJSA-N -1 0 342.347 3.150 20 30 EGEDRM Cc1ccc(/C=C\C(=O)c2ccc(CC(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000915990931 1319580259 /nfs/dbraw/zinc/58/02/59/1319580259.db2.gz SCPYINZTIPPCFS-TWGQIWQCSA-N -1 0 325.320 3.426 20 30 EGEDRM O=C([O-])c1ccc(NN=Cc2ccc(O)c(Br)c2)cc1 ZINC000916240959 1319623272 /nfs/dbraw/zinc/62/32/72/1319623272.db2.gz YHYFOZOTDAHTPI-UHFFFAOYSA-N -1 0 335.157 3.299 20 30 EGEDRM Cc1nnc([S-])n(N=Cc2ccc(-c3ccccc3Cl)o2)c1=O ZINC000916303144 1319635546 /nfs/dbraw/zinc/63/55/46/1319635546.db2.gz AZWHKCBXLQKEIV-UHFFFAOYSA-N -1 0 346.799 3.031 20 30 EGEDRM CCCCCCCC(=O)[N-]S(=O)(=O)Cc1noc2ccccc21 ZINC000916820116 1319709486 /nfs/dbraw/zinc/70/94/86/1319709486.db2.gz HSTJANQQKQKRDA-UHFFFAOYSA-N -1 0 338.429 3.134 20 30 EGEDRM CC(C)Oc1ccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)cc1 ZINC000916892725 1319720092 /nfs/dbraw/zinc/72/00/92/1319720092.db2.gz MABGNVTXEXCOEY-KRWDZBQOSA-N -1 0 328.412 3.245 20 30 EGEDRM C=CCNC(=O)C(C#N)=C([O-])c1cc2c(s1)-c1ccccc1CC2 ZINC000916918040 1319724758 /nfs/dbraw/zinc/72/47/58/1319724758.db2.gz PBCDYGKAQVQGQQ-HNNXBMFYSA-N -1 0 336.416 3.138 20 30 EGEDRM Cc1oc(-c2ccccc2)nc1C([O-])=C(C#N)C(=O)NC1CCCC1 ZINC000917040989 1319743176 /nfs/dbraw/zinc/74/31/76/1319743176.db2.gz CXZHJKIVYLNLPT-OAHLLOKOSA-N -1 0 337.379 3.031 20 30 EGEDRM CCCCc1ccc(C(=O)CCC(=O)Nc2nc(C#N)c(C#N)[n-]2)cc1 ZINC000917098632 1319757302 /nfs/dbraw/zinc/75/73/02/1319757302.db2.gz KSNGTQMKHZRYCN-UHFFFAOYSA-N -1 0 349.394 3.097 20 30 EGEDRM C=CCN(C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-])[C@H](C)COC ZINC000824407511 1320255149 /nfs/dbraw/zinc/25/51/49/1320255149.db2.gz DDUQKQQBMMZOMB-CYBMUJFWSA-N -1 0 343.379 3.128 20 30 EGEDRM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@](C)(CCCCCC)C(=O)[O-] ZINC000837300080 1320594358 /nfs/dbraw/zinc/59/43/58/1320594358.db2.gz RDVWNFUMCRIXGQ-VKJFTORMSA-N -1 0 340.464 3.081 20 30 EGEDRM CCCCCCCC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1cn(C)cn1 ZINC000838990874 1320847997 /nfs/dbraw/zinc/84/79/97/1320847997.db2.gz FUZANBGWSYRISL-CQSZACIVSA-N -1 0 343.493 3.002 20 30 EGEDRM CC[C@H](NN=Cc1cc(-c2ccccc2C)ccc1OC)C(=O)[O-] ZINC000841642014 1321290826 /nfs/dbraw/zinc/29/08/26/1321290826.db2.gz DDLHWCFZQHMWAM-KRWDZBQOSA-N -1 0 326.396 3.457 20 30 EGEDRM COc1ccc(C(=O)[O-])cc1NCc1ccc(N(C)CCC#N)cc1 ZINC000841800489 1321314597 /nfs/dbraw/zinc/31/45/97/1321314597.db2.gz FJYIALMKFMGVQA-UHFFFAOYSA-N -1 0 339.395 3.355 20 30 EGEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1csc(C2CCCCC2)n1 ZINC000842285334 1321367360 /nfs/dbraw/zinc/36/73/60/1321367360.db2.gz PIJOCJQIXZURLW-CYBMUJFWSA-N -1 0 331.441 3.136 20 30 EGEDRM CC1(C)Cc2cc(C([O-])=C(C#N)C(=O)NC3CCCCC3)ccc2O1 ZINC000842687599 1321419580 /nfs/dbraw/zinc/41/95/80/1321419580.db2.gz ZZAAXEQHMYFFPB-MRXNPFEDSA-N -1 0 340.423 3.171 20 30 EGEDRM CCOC(=O)C1(C([O-])=C(C#N)c2nc3ccccc3o2)CCCC1 ZINC000842693884 1321420468 /nfs/dbraw/zinc/42/04/68/1321420468.db2.gz OTENJKRUTILGTE-LBPRGKRZSA-N -1 0 326.352 3.128 20 30 EGEDRM C#CC1CCN(C(=O)c2nn(-c3ccc(C(C)C)cc3)cc2[O-])CC1 ZINC000844045491 1321567749 /nfs/dbraw/zinc/56/77/49/1321567749.db2.gz KDRXGSOMNIIKKS-UHFFFAOYSA-N -1 0 337.423 3.187 20 30 EGEDRM COCCn1c(C)cc(C=NNc2cccc(C(=O)[O-])c2C)c1C ZINC000844627713 1321626751 /nfs/dbraw/zinc/62/67/51/1321626751.db2.gz OUHHMTVMUYPXTD-UHFFFAOYSA-N -1 0 329.400 3.204 20 30 EGEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)CCCc1ccc2c(c1)CCCC2 ZINC000845491299 1321712565 /nfs/dbraw/zinc/71/25/65/1321712565.db2.gz KQTXZYDHTSSHSL-GOSISDBHSA-N -1 0 349.434 3.213 20 30 EGEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)CCCc1ccc2c(c1)CCCC2 ZINC000845491305 1321712776 /nfs/dbraw/zinc/71/27/76/1321712776.db2.gz KQTXZYDHTSSHSL-SFHVURJKSA-N -1 0 349.434 3.213 20 30 EGEDRM C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccc(SC2CCCC2)cc1 ZINC000846151569 1321771742 /nfs/dbraw/zinc/77/17/42/1321771742.db2.gz BBGZSWVXSMBVRI-LBPRGKRZSA-N -1 0 334.441 3.282 20 30 EGEDRM C=C(C)CO[N-]C(=O)Cc1csc(-c2ccc(OCC)cc2)n1 ZINC000846538411 1321791568 /nfs/dbraw/zinc/79/15/68/1321791568.db2.gz UJLAOKOWXKSKKG-UHFFFAOYSA-N -1 0 332.425 3.375 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(C(F)F)cc1F ZINC000847622641 1321885040 /nfs/dbraw/zinc/88/50/40/1321885040.db2.gz PACFAJQJXPBRFB-LBPRGKRZSA-N -1 0 326.318 3.392 20 30 EGEDRM C=CCC1(C(=O)[N-]S(=O)(=O)c2ccc(Cl)c(C)c2)CCC1 ZINC000847858661 1321907308 /nfs/dbraw/zinc/90/73/08/1321907308.db2.gz YCJLKAKXMQJYLP-UHFFFAOYSA-N -1 0 327.833 3.200 20 30 EGEDRM Cc1cc(C)n(CCC(=O)C(C#N)=C([O-])c2c(C)[nH]c3ccccc32)n1 ZINC000920106688 1322137769 /nfs/dbraw/zinc/13/77/69/1322137769.db2.gz WZBHJXNZNAPPLZ-MRXNPFEDSA-N -1 0 348.406 3.272 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])C=Cc2ccccc2F)n1 ZINC000920326762 1322163687 /nfs/dbraw/zinc/16/36/87/1322163687.db2.gz DHRDLLQYSKXXRW-QDZRJHCZSA-N -1 0 344.367 3.349 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])C=Cc2cccc(F)c2)n1 ZINC000920327037 1322163951 /nfs/dbraw/zinc/16/39/51/1322163951.db2.gz HFPNKKSHAAQTMR-FMFIFOJESA-N -1 0 344.367 3.349 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cccc(N2CCCC2)c1 ZINC000850752312 1322284471 /nfs/dbraw/zinc/28/44/71/1322284471.db2.gz MXERXOTXSZYWCI-SFHVURJKSA-N -1 0 341.455 3.306 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)C2(C(F)(F)F)CCCCC2)CC1 ZINC000851031237 1322326253 /nfs/dbraw/zinc/32/62/53/1322326253.db2.gz ALYABQSYNAFWBD-UHFFFAOYSA-N -1 0 339.379 3.054 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@H](C)c2ccccc2C)n1 ZINC000923906231 1322843800 /nfs/dbraw/zinc/84/38/00/1322843800.db2.gz AIZJBTJRKCWGBM-UKRRQHHQSA-N -1 0 342.420 3.283 20 30 EGEDRM Fc1c(C=Nn2c(=S)[n-]nc2C(F)(F)F)cccc1OC1CC1 ZINC000853266337 1325074278 /nfs/dbraw/zinc/07/42/78/1325074278.db2.gz BCSFGOPFKOEISK-UHFFFAOYSA-N -1 0 346.309 3.148 20 30 EGEDRM Cc1c(NN=Cc2ccc(O[C@@H]3CCOC3)cc2)cccc1C(=O)[O-] ZINC000853370170 1325086409 /nfs/dbraw/zinc/08/64/09/1325086409.db2.gz FNVQISPHUOUZSM-MRXNPFEDSA-N -1 0 340.379 3.307 20 30 EGEDRM C#CCO[N-]C(=O)C1(c2cccc(Br)c2)CCCCC1 ZINC000855606617 1325402070 /nfs/dbraw/zinc/40/20/70/1325402070.db2.gz LLYJHRBQLDUIKQ-UHFFFAOYSA-N -1 0 336.229 3.332 20 30 EGEDRM C=CCCO[N-]C(=O)C1(c2cc(F)cc(Br)c2)CC1 ZINC000856036170 1325441814 /nfs/dbraw/zinc/44/18/14/1325441814.db2.gz UICOLGYEQRWUQJ-UHFFFAOYSA-N -1 0 328.181 3.244 20 30 EGEDRM Cc1cccc(N=NC(C)CCc2ccc(OCC(=O)[O-])cc2)n1 ZINC000863161194 1329531379 /nfs/dbraw/zinc/53/13/79/1329531379.db2.gz YUJNFPCUILSJDM-UHFFFAOYSA-N -1 0 327.384 3.274 20 30 EGEDRM Cc1c(C(=O)/C=C/c2ccc(CC(=O)[O-])cc2)c(C#N)c2n1CCC2 ZINC000863184992 1329532672 /nfs/dbraw/zinc/53/26/72/1329532672.db2.gz SFFOXGCPKMLDHY-CMDGGOBGSA-N -1 0 334.375 3.138 20 30 EGEDRM C#CCCCS(=O)(=O)Nc1c(-c2cccc(F)c2)n[nH]c1C1CC1 ZINC000864096455 1329597153 /nfs/dbraw/zinc/59/71/53/1329597153.db2.gz HWOQAWCQOPEITC-UHFFFAOYSA-N -1 0 347.415 3.248 20 30 EGEDRM O=C(/C=C\c1cn(C[C@H]2CCCO2)nn1)c1ccc2ccccc2c1[O-] ZINC000865221413 1329677045 /nfs/dbraw/zinc/67/70/45/1329677045.db2.gz YAWQTLRJNQSKSM-SIJIIQCFSA-N -1 0 349.390 3.212 20 30 EGEDRM N#Cc1cc(NC(=O)Cc2c[nH]c3ccc(F)cc23)c([O-])cc1F ZINC001183355247 1387302908 /nfs/dbraw/zinc/30/29/08/1387302908.db2.gz PVQOBZMQGLJCES-UHFFFAOYSA-N -1 0 327.290 3.205 20 30 EGEDRM O=C(CCC(=O)C1=CC=C[CH]1)Nc1nc(F)cc(C(F)(F)F)c1F ZINC001184242103 1387418702 /nfs/dbraw/zinc/41/87/02/1387418702.db2.gz YNIBBZZOYPQMIG-UHFFFAOYSA-N -1 0 345.247 3.367 20 30 EGEDRM Cc1cc([N-]S(=O)(=O)c2cc3ccccc3s2)cnc1C#N ZINC001185429785 1387714096 /nfs/dbraw/zinc/71/40/96/1387714096.db2.gz TVXIPJKPLCZPSU-UHFFFAOYSA-N -1 0 329.406 3.277 20 30 EGEDRM N#Cc1cc([N-]S(=O)(=O)c2cc3ccccc3s2)ccc1O ZINC001185463335 1387722022 /nfs/dbraw/zinc/72/20/22/1387722022.db2.gz WEPDXZHMWDNXMY-UHFFFAOYSA-N -1 0 330.390 3.279 20 30 EGEDRM N#Cc1cccc(Cl)c1[N-]S(=O)(=O)c1ccc(Cl)nc1 ZINC001185680303 1387776170 /nfs/dbraw/zinc/77/61/70/1387776170.db2.gz SRPWQGFUYVFXQS-UHFFFAOYSA-N -1 0 328.180 3.061 20 30 EGEDRM Cc1c(F)cccc1S(=O)(=O)[N-]c1c(F)cc(F)cc1C#N ZINC001185836450 1387811138 /nfs/dbraw/zinc/81/11/38/1387811138.db2.gz MYNQFNNBLUPRIE-UHFFFAOYSA-N -1 0 326.299 3.085 20 30 EGEDRM CC1(C)CCC[C@@H]([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)C1 ZINC001189307053 1366982992 /nfs/dbraw/zinc/98/29/92/1366982992.db2.gz ALJYIBNTTSLELV-LLVKDONJSA-N -1 0 328.384 3.084 20 30 EGEDRM N#Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(F)c2ccccc21 ZINC001189385616 1367008362 /nfs/dbraw/zinc/00/83/62/1367008362.db2.gz MTDZXQQDEWVQQQ-UHFFFAOYSA-N -1 0 342.351 3.357 20 30 EGEDRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)c(C#N)c2)c1 ZINC001189606175 1367065773 /nfs/dbraw/zinc/06/57/73/1367065773.db2.gz XTMUCKIJHREWMT-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM Cc1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2F)c(C#N)c1 ZINC001190387597 1367248022 /nfs/dbraw/zinc/24/80/22/1367248022.db2.gz ILWICLHJQMNAKZ-UHFFFAOYSA-N -1 0 326.299 3.085 20 30 EGEDRM N#Cc1cc([N-]S(=O)(=O)c2cc(F)cc(F)c2F)ccc1Cl ZINC001190390520 1367249827 /nfs/dbraw/zinc/24/98/27/1367249827.db2.gz PBWUCYVWVFNFNA-UHFFFAOYSA-N -1 0 346.717 3.430 20 30 EGEDRM Cc1ccc2nc([N-]S(=O)(=O)c3cc(C#N)ccc3F)sc2c1 ZINC001190616035 1367309614 /nfs/dbraw/zinc/30/96/14/1367309614.db2.gz HFFSGDWYSHHKOV-UHFFFAOYSA-N -1 0 347.396 3.416 20 30 EGEDRM CCOc1cccc(F)c1[N-]S(=O)(=O)c1cc(C#N)ccc1F ZINC001190658365 1367321293 /nfs/dbraw/zinc/32/12/93/1367321293.db2.gz VLGKXILAFKSKPE-UHFFFAOYSA-N -1 0 338.335 3.036 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)NC2CCC3(CCCC3)CC2)c1 ZINC001190662773 1367321954 /nfs/dbraw/zinc/32/19/54/1367321954.db2.gz OXAFZGMVIQQMDT-UHFFFAOYSA-N -1 0 336.432 3.479 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]c2sc(Cl)cc2C(=O)OC)CC1 ZINC001190774153 1367347566 /nfs/dbraw/zinc/34/75/66/1367347566.db2.gz ZNTWGNJPEWKNPU-UHFFFAOYSA-N -1 0 335.834 3.039 20 30 EGEDRM CCCCCCCCNC(=O)Nc1cc(S(C)(=O)=O)ccc1[O-] ZINC001191069819 1367416347 /nfs/dbraw/zinc/41/63/47/1367416347.db2.gz SJZGKJDSUKZEIN-UHFFFAOYSA-N -1 0 342.461 3.278 20 30 EGEDRM COc1cc(C(=O)Nc2ccc(C#N)cc2C#N)cc(Cl)c1[O-] ZINC001191148988 1367433485 /nfs/dbraw/zinc/43/34/85/1367433485.db2.gz YVXHVMUSRWXNOJ-UHFFFAOYSA-N -1 0 327.727 3.050 20 30 EGEDRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2c(C#N)cccc2C#N)c1 ZINC001191185590 1367441197 /nfs/dbraw/zinc/44/11/97/1367441197.db2.gz XUJXJKJIZUBCNW-UHFFFAOYSA-N -1 0 348.387 3.087 20 30 EGEDRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1cc(F)cc(C#N)c1 ZINC001191820770 1367600184 /nfs/dbraw/zinc/60/01/84/1367600184.db2.gz GEISYVMQNNXMOV-UHFFFAOYSA-N -1 0 334.372 3.205 20 30 EGEDRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(C#N)c(OC)c1 ZINC001191828871 1367605653 /nfs/dbraw/zinc/60/56/53/1367605653.db2.gz UWTDEVAVGMCRRI-UHFFFAOYSA-N -1 0 346.408 3.075 20 30 EGEDRM Cc1ccc(C)c([N-]S(=O)(=O)C(Cl)(Cl)Cl)c1C#N ZINC001192040358 1367672986 /nfs/dbraw/zinc/67/29/86/1367672986.db2.gz IOYLUNAKGQKNER-UHFFFAOYSA-N -1 0 327.620 3.245 20 30 EGEDRM C#Cc1nccnc1[N-]S(=O)(=O)c1ccc(-c2ccc(C)cc2)cc1 ZINC001192063506 1367677781 /nfs/dbraw/zinc/67/77/81/1367677781.db2.gz MVYXHXCWXTZRSJ-UHFFFAOYSA-N -1 0 349.415 3.234 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2c(C)cc(C#N)cc2C)cnc1Cl ZINC001192570307 1367820735 /nfs/dbraw/zinc/82/07/35/1367820735.db2.gz CSTDXRBMMWLQCB-UHFFFAOYSA-N -1 0 335.816 3.333 20 30 EGEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1C(F)(F)F ZINC001193145987 1367953227 /nfs/dbraw/zinc/95/32/27/1367953227.db2.gz DSCHWOBAGBJXTD-LURJTMIESA-N -1 0 346.252 3.378 20 30 EGEDRM N#Cc1cnoc1[N-]S(=O)(=O)c1ccc2c(Cl)cccc2c1 ZINC001194216666 1368211016 /nfs/dbraw/zinc/21/10/16/1368211016.db2.gz HFOGPHRPMRVHJU-UHFFFAOYSA-N -1 0 333.756 3.154 20 30 EGEDRM N#Cc1ccc(F)c(F)c1[N-]C(=O)c1ncc(Br)s1 ZINC001195070994 1368371268 /nfs/dbraw/zinc/37/12/68/1368371268.db2.gz HZISJXUWHPENMT-UHFFFAOYSA-N -1 0 344.140 3.308 20 30 EGEDRM C[C@@]1(CF)CC(F)(F)CN1C(=O)c1c([O-])c(F)c(F)c(F)c1F ZINC001195291440 1368415317 /nfs/dbraw/zinc/41/53/17/1368415317.db2.gz XQZRZGPEGUDWDT-LBPRGKRZSA-N -1 0 345.214 3.158 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2ccc(Cl)c3nsnc32)c([O-])c1 ZINC001195758778 1368483161 /nfs/dbraw/zinc/48/31/61/1368483161.db2.gz SOGGACQWRQZFSH-UHFFFAOYSA-N -1 0 330.756 3.174 20 30 EGEDRM CCc1ccc(C)nc1[N-]S(=O)(=O)c1cc(Cl)ccc1C#N ZINC001196639899 1368654793 /nfs/dbraw/zinc/65/47/93/1368654793.db2.gz UALRUTDYYIAHLH-UHFFFAOYSA-N -1 0 335.816 3.278 20 30 EGEDRM Cc1cc(C#N)c(F)cc1[N-]S(=O)(=O)c1cc(Cl)ccc1C#N ZINC001196690849 1368664514 /nfs/dbraw/zinc/66/45/14/1368664514.db2.gz YDHVEQPGBCAOEK-UHFFFAOYSA-N -1 0 349.774 3.332 20 30 EGEDRM Cc1cc(C#N)c([N-]S(=O)(=O)Cc2c(F)cccc2F)s1 ZINC001197564931 1368841004 /nfs/dbraw/zinc/84/10/04/1368841004.db2.gz QRNWFMHKJRJESU-UHFFFAOYSA-N -1 0 328.365 3.148 20 30 EGEDRM Cc1ccc(C)c([N-]S(=O)(=O)Cc2c(F)cccc2F)c1C#N ZINC001197606933 1368853676 /nfs/dbraw/zinc/85/36/76/1368853676.db2.gz AQGKIEDHXSPBCR-UHFFFAOYSA-N -1 0 336.363 3.395 20 30 EGEDRM COc1ccc([N-]S(=O)(=O)c2ccc3occc3c2)c(C#N)c1 ZINC001198856751 1369130873 /nfs/dbraw/zinc/13/08/73/1369130873.db2.gz QQBFVEGCPXKBDL-UHFFFAOYSA-N -1 0 328.349 3.114 20 30 EGEDRM COc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(C)c(C#N)c1 ZINC001201316586 1369517577 /nfs/dbraw/zinc/51/75/77/1369517577.db2.gz BAZCKEAEFDRVOL-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM CCOC(=O)c1nnsc1[N-]c1ccc(C(F)(F)F)cc1C#N ZINC001201691533 1369606725 /nfs/dbraw/zinc/60/67/25/1369606725.db2.gz LTSDNEBNXNWSKZ-UHFFFAOYSA-N -1 0 342.302 3.349 20 30 EGEDRM Cc1nc(Cl)sc1S(=O)(=O)[N-]c1c(C#N)ccc(F)c1F ZINC001201764067 1369619401 /nfs/dbraw/zinc/61/94/01/1369619401.db2.gz OCXWVZOTZZFRIR-UHFFFAOYSA-N -1 0 349.771 3.056 20 30 EGEDRM Cc1ccnc(C#N)c1[N-]S(=O)(=O)c1cc2c(s1)CCCC2 ZINC001187189113 1388067449 /nfs/dbraw/zinc/06/74/49/1388067449.db2.gz QUXPYHSDYHOAPO-UHFFFAOYSA-N -1 0 333.438 3.003 20 30 EGEDRM COC(=O)c1ccc(-c2ccc(F)c(C(=O)[O-])c2F)cc1CC#N ZINC001205106332 1370652242 /nfs/dbraw/zinc/65/22/42/1370652242.db2.gz DRSKLWCHDMHRPV-UHFFFAOYSA-N -1 0 331.274 3.183 20 30 EGEDRM N#Cc1ccc(Nc2cccc(CC(=O)[O-])c2)c(Br)n1 ZINC001210068401 1372265670 /nfs/dbraw/zinc/26/56/70/1372265670.db2.gz XXSZQNACKSYCGI-UHFFFAOYSA-N -1 0 332.157 3.086 20 30 EGEDRM N#Cc1ncccc1Nc1ccc(S(=O)(=O)[O-])c2ccccc12 ZINC001210146874 1372281657 /nfs/dbraw/zinc/28/16/57/1372281657.db2.gz FRZXKWWAOQCEPS-UHFFFAOYSA-N -1 0 325.349 3.097 20 30 EGEDRM CCOC(=O)c1cc(Nc2scc([O-])c2C#N)cc([N+](=O)[O-])c1 ZINC001211369203 1372541368 /nfs/dbraw/zinc/54/13/68/1372541368.db2.gz AMRCMFUEBGQIGH-UHFFFAOYSA-N -1 0 333.325 3.154 20 30 EGEDRM COc1ccc(Nc2ccc(S(=O)(=O)[O-])cc2Cl)c(C#N)c1 ZINC001212785257 1372771685 /nfs/dbraw/zinc/77/16/85/1372771685.db2.gz KYZIXYGBTNHKLK-UHFFFAOYSA-N -1 0 338.772 3.211 20 30 EGEDRM N#Cc1cc(Nc2ccc3c(cccc3S(=O)(=O)[O-])c2)ccc1N ZINC001213438943 1372906683 /nfs/dbraw/zinc/90/66/83/1372906683.db2.gz GPMRBGOUPJKYIM-UHFFFAOYSA-N -1 0 339.376 3.284 20 30 EGEDRM N#Cc1cnn(C2CCOCC2)c1Nc1c(Cl)ccc([O-])c1F ZINC001214557615 1373079925 /nfs/dbraw/zinc/07/99/25/1373079925.db2.gz DTHBBNYYGMDPPR-UHFFFAOYSA-N -1 0 336.754 3.348 20 30 EGEDRM N#Cc1cc(-c2nc(-c3cncc(C(F)(F)F)c3)no2)ccc1[O-] ZINC001216969827 1373373064 /nfs/dbraw/zinc/37/30/64/1373373064.db2.gz RVVMJYWFLVKMKQ-UHFFFAOYSA-N -1 0 332.241 3.395 20 30 EGEDRM C=CCOC[C@H](CS(=O)(=O)[O-])OCc1ccc(CCCC)cc1 ZINC001223847832 1375045215 /nfs/dbraw/zinc/04/52/15/1375045215.db2.gz PWACZXQQPVWHCF-QGZVFWFLSA-N -1 0 342.457 3.005 20 30 EGEDRM C[C@@H](Oc1[n-]c(=O)c(F)cc1C#N)c1ncc(C(F)(F)F)cc1F ZINC001226008378 1375189566 /nfs/dbraw/zinc/18/95/66/1375189566.db2.gz GXRDTUGATLKQJK-ZCFIWIBFSA-N -1 0 345.227 3.491 20 30 EGEDRM COc1ccccc1[C@@H](Oc1[n-]c(=O)c(F)cc1C#N)C(F)(F)F ZINC001226008770 1375189926 /nfs/dbraw/zinc/18/99/26/1375189926.db2.gz MHUQNIQIXWDEGA-GFCCVEGCSA-N -1 0 342.248 3.489 20 30 EGEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ccc(C)cc1C(C)(C)C ZINC001227449961 1375432454 /nfs/dbraw/zinc/43/24/54/1375432454.db2.gz JZASVQBLDDKMNC-AWEZNQCLSA-N -1 0 342.457 3.130 20 30 EGEDRM N#CCN1CC[C@H](Oc2ccccc2C([O-])=CC(=O)c2ccccc2)C1 ZINC001228512404 1375584753 /nfs/dbraw/zinc/58/47/53/1375584753.db2.gz KRMKNTRBTZILLC-KRWDZBQOSA-N -1 0 348.402 3.119 20 30 EGEDRM C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1Oc1[n-]c(=O)ccc1C#N ZINC001228899288 1375708486 /nfs/dbraw/zinc/70/84/86/1375708486.db2.gz UGJUBPOVJHKMFK-GXTWGEPZSA-N -1 0 347.415 3.073 20 30 EGEDRM C#C[C@@H](COc1cccc(Cl)c1)Oc1cc(O)cc([O-])c1[N+](=O)[O-] ZINC001228974075 1375728480 /nfs/dbraw/zinc/72/84/80/1375728480.db2.gz ONPPACLJCZDHFT-LBPRGKRZSA-N -1 0 349.726 3.119 20 30 EGEDRM C=C[C@@H](CC(=O)OC(C)(C)C)Oc1[n-]c(=O)nc2cc(C)ccc21 ZINC001230887800 1376178512 /nfs/dbraw/zinc/17/85/12/1376178512.db2.gz DICDTCKMFJENNS-LBPRGKRZSA-N -1 0 330.384 3.309 20 30 EGEDRM N#Cc1c(C#N)c(-c2cncc(C(=O)[O-])c2)nc2c1CCCCCC2 ZINC001241800754 1377020854 /nfs/dbraw/zinc/02/08/54/1377020854.db2.gz FWQSJLNORUSAAK-UHFFFAOYSA-N -1 0 332.363 3.244 20 30 EGEDRM CC(C)(C(=O)Nc1nc(C#N)c(C#N)[n-]1)c1ccc(C(F)(F)F)cc1 ZINC001143814493 1378649624 /nfs/dbraw/zinc/64/96/24/1378649624.db2.gz FRTSJSRVKAZCLN-UHFFFAOYSA-N -1 0 347.300 3.088 20 30 EGEDRM C=CC[C@@H](C)C(=O)Nc1cc2c(cc1[O-])C(=O)c1ccccc1C2=O ZINC001144020516 1378672372 /nfs/dbraw/zinc/67/23/72/1378672372.db2.gz KBSDDHKEAKNKFH-LLVKDONJSA-N -1 0 335.359 3.318 20 30 EGEDRM C=C(Cc1ccccc1)C(=O)Nc1c(C)cc(C)cc1S(=O)(=O)[O-] ZINC001144395306 1378726125 /nfs/dbraw/zinc/72/61/25/1378726125.db2.gz SXFQGUZOPYYTTB-UHFFFAOYSA-N -1 0 345.420 3.288 20 30 EGEDRM O=c1[n-][nH]c(=O)n1N=Cc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC001327776413 1388595455 /nfs/dbraw/zinc/59/54/55/1388595455.db2.gz DLCQHDOUOTYIAJ-UHFFFAOYSA-N -1 0 339.138 3.138 20 30 EGEDRM Cc1ccc(C(=NC(=O)c2cccc(-c3ccccc3)c2[O-])NO)nc1 ZINC001148872109 1379288439 /nfs/dbraw/zinc/28/84/39/1379288439.db2.gz HAHTUYQQNIURQV-UHFFFAOYSA-N -1 0 347.374 3.328 20 30 EGEDRM N#Cc1ccc(F)c(F)c1NC(=O)c1ccc2cccnc2c1[O-] ZINC001149327064 1379364594 /nfs/dbraw/zinc/36/45/94/1379364594.db2.gz PSPDSDPRNBVDBC-UHFFFAOYSA-N -1 0 325.274 3.343 20 30 EGEDRM N#Cc1cc(NC(=O)c2cc3c(ncnc3Cl)s2)c([O-])cc1F ZINC001152962411 1379999457 /nfs/dbraw/zinc/99/94/57/1379999457.db2.gz LFPMGDHAMFSRSX-UHFFFAOYSA-N -1 0 348.746 3.313 20 30 EGEDRM N#Cc1ccc2[n-]c(C(=O)Nc3ccc4[nH]ccc4c3)cc(=O)c2c1 ZINC001154552192 1380304912 /nfs/dbraw/zinc/30/49/12/1380304912.db2.gz LVBDECJHIBXRLY-UHFFFAOYSA-N -1 0 328.331 3.133 20 30 EGEDRM COc1ccc(-n2cc([O-])c(C(=O)Nc3cc(C)cc(C#N)c3)n2)cc1 ZINC001299291984 1383500604 /nfs/dbraw/zinc/50/06/04/1383500604.db2.gz GHMWAFNSGLUKTR-UHFFFAOYSA-N -1 0 348.362 3.019 20 30 EGEDRM CC(=O)c1ccc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c(C#N)c1 ZINC001174504604 1385114953 /nfs/dbraw/zinc/11/49/53/1385114953.db2.gz DAMGIFGBBBYDFS-UHFFFAOYSA-N -1 0 325.280 3.111 20 30 EGEDRM N#Cc1cnc(Nc2ccc(C(=O)[O-])c(F)c2)c(Br)c1 ZINC001175154878 1385206463 /nfs/dbraw/zinc/20/64/63/1385206463.db2.gz WRCHDUNYSUFXQR-UHFFFAOYSA-N -1 0 336.120 3.297 20 30 EGEDRM COC(=O)c1cccc(/C=C2/CCc3oc(C(=O)[O-])c(C)c3C2=O)c1 ZINC001319641290 1386225493 /nfs/dbraw/zinc/22/54/93/1386225493.db2.gz XMZSBCZDQJUVMP-WQLSENKSSA-N -1 0 340.331 3.285 20 30 EGEDRM O=C([N-]Cc1cccc(C(F)(F)F)n1)C(F)(F)C(F)(F)Cl ZINC001179782691 1386583919 /nfs/dbraw/zinc/58/39/19/1386583919.db2.gz WUTKJSGPMCSWCY-UHFFFAOYSA-N -1 0 338.610 3.184 20 30 EGEDRM C=CC[C@H](NC(=O)[C@H](CC)c1ccc(Br)cc1)C(=O)[O-] ZINC001329215011 1389023860 /nfs/dbraw/zinc/02/38/60/1389023860.db2.gz MDYULBDAMWEVCP-OLZOCXBDSA-N -1 0 340.217 3.088 20 30 EGEDRM C=C1CCC(C(=O)[N-]S(=O)(=O)c2ccc(OCCC)cc2)CC1 ZINC001331437117 1389747701 /nfs/dbraw/zinc/74/77/01/1389747701.db2.gz OCVBQYIYNWJOAU-UHFFFAOYSA-N -1 0 337.441 3.027 20 30 EGEDRM C=CCC[C@@H]1CCCN1C(=O)c1nn(-c2ccc(OC)cc2)cc1[O-] ZINC001339281512 1389973279 /nfs/dbraw/zinc/97/32/79/1389973279.db2.gz VFTNWJHMFVDSQY-CQSZACIVSA-N -1 0 341.411 3.157 20 30 EGEDRM Cn1nc(C([O-])=C(C#N)c2nccn2Cc2ccccc2)cc1C1CC1 ZINC001342926365 1390673591 /nfs/dbraw/zinc/67/35/91/1390673591.db2.gz YMLIPPVJDKTCLA-INIZCTEOSA-N -1 0 345.406 3.032 20 30 EGEDRM CCn1ccnc1C(C#N)=C([O-])c1csc(-c2ccc(C)o2)n1 ZINC001346095551 1390907107 /nfs/dbraw/zinc/90/71/07/1390907107.db2.gz FWIOZSHDYZHLRX-LLVKDONJSA-N -1 0 326.381 3.418 20 30 EGEDRM CC1(C)Cc2cc(C=CC(=O)c3ccc(-c4nn[n-]n4)cc3)ccc2O1 ZINC000736212819 1429542406 /nfs/dbraw/zinc/54/24/06/1429542406.db2.gz BTSUMJMDSWTPAX-OQFOIZHKSA-N -1 0 346.390 3.476 20 30 EGEDRM Cc1cccc(-c2n[nH]cc2C=NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826295445 1423446050 /nfs/dbraw/zinc/44/60/50/1423446050.db2.gz HYLMTZHUBYNRKO-UHFFFAOYSA-N -1 0 344.382 3.011 20 30 EGEDRM C=CCCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2 ZINC000735408469 1423639198 /nfs/dbraw/zinc/63/91/98/1423639198.db2.gz MBPQRNSXFJQPJW-UHFFFAOYSA-N -1 0 331.445 3.492 20 30 EGEDRM CCCCCCCCNC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000825271117 1424183235 /nfs/dbraw/zinc/18/32/35/1424183235.db2.gz HAOBMPDXBLKKGR-UHFFFAOYSA-N -1 0 344.463 3.369 20 30 EGEDRM O=C(C=CC1=Cc2ccccc2OC1)c1ccc(-c2nn[n-]n2)s1 ZINC000826400195 1424980734 /nfs/dbraw/zinc/98/07/34/1424980734.db2.gz RQMKWMGVOCARMW-WAYWQWQTSA-N -1 0 336.376 3.143 20 30 EGEDRM C=CCCOCCCCC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000823899221 1425064396 /nfs/dbraw/zinc/06/43/96/1425064396.db2.gz QNSKNOUUHGTBNX-UHFFFAOYSA-N -1 0 349.822 3.222 20 30 EGEDRM CC[C@H](C#N)OC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000820842043 1425394012 /nfs/dbraw/zinc/39/40/12/1425394012.db2.gz ISUIZPNQJZDIDN-MRXNPFEDSA-N -1 0 348.366 3.069 20 30 EGEDRM O=C(C=Cc1nc2c(s1)CCCC2)c1ccc(-c2nn[n-]n2)s1 ZINC000826403612 1425516992 /nfs/dbraw/zinc/51/69/92/1425516992.db2.gz XDNCIPSFAITBHJ-VMPITWQZSA-N -1 0 343.437 3.160 20 30 EGEDRM CC(=NNc1cccc2cnccc21)c1ccc(-c2nn[n-]n2)cc1F ZINC000823963264 1425698441 /nfs/dbraw/zinc/69/84/41/1425698441.db2.gz ZZNQQOJQFOBYQS-UHFFFAOYSA-N -1 0 347.357 3.390 20 30 EGEDRM Cc1nc(-c2nn[n-]n2)c(N=NC(CC2CCC2)c2ccccc2)o1 ZINC000826322793 1425837455 /nfs/dbraw/zinc/83/74/55/1425837455.db2.gz BOGICIVRKUIJIW-UHFFFAOYSA-N -1 0 337.387 3.170 20 30 EGEDRM C[C@H](Nc1cc(C#N)c2ccccc2n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736137254 1426262769 /nfs/dbraw/zinc/26/27/69/1426262769.db2.gz JGHYTSGKQZMCDS-LBPRGKRZSA-N -1 0 341.378 3.460 20 30 EGEDRM CC(C)c1ncc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000820206426 1426487026 /nfs/dbraw/zinc/48/70/26/1426487026.db2.gz JZOIUDVMAVDCTB-VOTSOKGWSA-N -1 0 325.397 3.343 20 30 EGEDRM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1nc2ccccc2s1 ZINC000822929293 1426507828 /nfs/dbraw/zinc/50/78/28/1426507828.db2.gz RWBCNDNIFJOAHD-ALCCZGGFSA-N -1 0 339.405 3.434 20 30 EGEDRM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N3CCC(C)(C#N)CC3)c2c1 ZINC000826263762 1426643483 /nfs/dbraw/zinc/64/34/83/1426643483.db2.gz PKOAWTCWAYMFCQ-UHFFFAOYSA-N -1 0 347.426 3.162 20 30 EGEDRM COc1cc(C)c(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000826177483 1426759299 /nfs/dbraw/zinc/75/92/99/1426759299.db2.gz KHTBQNCPOZYUEQ-TWGQIWQCSA-N -1 0 334.379 3.388 20 30 EGEDRM CC(C)c1nc(-c2nn[n-]n2)c(N=NC[C@@H](C)c2ccc(F)cc2)o1 ZINC000824352857 1426806336 /nfs/dbraw/zinc/80/63/36/1426806336.db2.gz PXOOUUIEGLUUKP-SNVBAGLBSA-N -1 0 343.366 3.319 20 30 EGEDRM O=C(C=Cc1cccc2cnccc12)c1ccc(-c2nn[n-]n2)s1 ZINC000826400543 1427134372 /nfs/dbraw/zinc/13/43/72/1427134372.db2.gz BBZLCSHRMHEVCM-SNAWJCMRSA-N -1 0 333.376 3.373 20 30 EGEDRM COc1ccc(Cl)cc1C(=O)C=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737098227 1430124314 /nfs/dbraw/zinc/12/43/14/1430124314.db2.gz RKYSVJJMUWQWCG-XBXARRHUSA-N -1 0 340.770 3.425 20 30 EGEDRM C[C@@H]1CCC[C@H](CN=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)C1 ZINC000824928213 1441480815 /nfs/dbraw/zinc/48/08/15/1441480815.db2.gz SIKXXKLZMDRTFA-MNOVXSKESA-N -1 0 331.424 3.376 20 30 EGEDRM Cc1cc(F)ccc1C=NNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826268809 1441596102 /nfs/dbraw/zinc/59/61/02/1441596102.db2.gz OKCSVASLBAQGKN-UHFFFAOYSA-N -1 0 330.754 3.414 20 30 EGEDRM CCc1ccc(C(C)N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)s1 ZINC000825704237 1441596615 /nfs/dbraw/zinc/59/66/15/1441596615.db2.gz DVJZFBULZXNHRI-UHFFFAOYSA-N -1 0 347.835 3.375 20 30 EGEDRM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(F)cc1F ZINC000826401444 1441600696 /nfs/dbraw/zinc/60/06/96/1441600696.db2.gz YZMXIBUXNMJUCY-KXFIGUGUSA-N -1 0 330.269 3.180 20 30 EGEDRM CCc1ccc(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)cc1 ZINC000736682263 1441748849 /nfs/dbraw/zinc/74/88/49/1441748849.db2.gz JUHWZGVAVHTYFG-KHPPLWFESA-N -1 0 347.422 3.381 20 30 EGEDRM O=C(C=Cc1nccc2ccccc21)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826403321 1441888795 /nfs/dbraw/zinc/88/87/95/1441888795.db2.gz OVPVJDDWJQZMNQ-FPLPWBNLSA-N -1 0 345.337 3.450 20 30 EGEDRM Cc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cc1[N+](=O)[O-] ZINC000822225002 1442239800 /nfs/dbraw/zinc/23/98/00/1442239800.db2.gz JJIKVLXINZCAAW-GQCTYLIASA-N -1 0 341.352 3.041 20 30 EGEDRM C#C[C@@H](OC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1)C1CC1 ZINC000823838527 1442256532 /nfs/dbraw/zinc/25/65/32/1442256532.db2.gz QWCCXFKXHKUXAI-GOSISDBHSA-N -1 0 344.374 3.102 20 30 EGEDRM O=C1C(=Cc2ccc(-c3nn[n-]n3)cc2F)Cc2c1c(F)ccc2F ZINC000826475555 1442399684 /nfs/dbraw/zinc/39/96/84/1442399684.db2.gz JURMAEAWGJCFND-BJMVGYQFSA-N -1 0 342.280 3.106 20 30 EGEDRM COc1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc1 ZINC000821786855 1442430237 /nfs/dbraw/zinc/43/02/37/1442430237.db2.gz KPGICEHCBDQJRD-GXDHUFHOSA-N -1 0 332.363 3.088 20 30 EGEDRM CC(C)CO[C@@H]1CC(N=Nc2ccc(-c3nn[n-]n3)cc2)C1(C)C ZINC000735838617 1442493021 /nfs/dbraw/zinc/49/30/21/1442493021.db2.gz IMTBCBBCUPQDFU-OAHLLOKOSA-N -1 0 328.420 3.106 20 30 EGEDRM C=C[C@H](CC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000823883510 1443494983 /nfs/dbraw/zinc/49/49/83/1443494983.db2.gz RQYKEVLIKJQLAW-MRXNPFEDSA-N -1 0 347.422 3.185 20 30 EGEDRM COc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)cc1F ZINC000821770089 1443568560 /nfs/dbraw/zinc/56/85/60/1443568560.db2.gz OOSJMZWCORNUQJ-GQCTYLIASA-N -1 0 342.305 3.050 20 30 EGEDRM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1ccc(Cl)nc1 ZINC000823504770 1443646768 /nfs/dbraw/zinc/64/67/68/1443646768.db2.gz ULJJYLNXECYLPG-KPKJPENVSA-N -1 0 337.770 3.128 20 30 EGEDRM COCc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC000826164390 1443885284 /nfs/dbraw/zinc/88/52/84/1443885284.db2.gz WOJIZOYAVOTZKM-RMKNXTFCSA-N -1 0 338.342 3.048 20 30 EGEDRM COc1cc(C)c(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cc1C ZINC000826177672 1443914310 /nfs/dbraw/zinc/91/43/10/1443914310.db2.gz QHQXCLJXOSHMOV-GQCTYLIASA-N -1 0 340.408 3.450 20 30 EGEDRM C=CCN(CC1CCCCC1)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000819740128 1443952495 /nfs/dbraw/zinc/95/24/95/1443952495.db2.gz QKQPKXFWNMMVNE-UHFFFAOYSA-N -1 0 339.443 3.004 20 30 EGEDRM C=CCC[C@H](C)OC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000823894289 1446698739 /nfs/dbraw/zinc/69/87/39/1446698739.db2.gz MLYKPCHLWDJWQX-NSHDSACASA-N -1 0 341.371 3.070 20 30 EGEDRM C#CC[C@@H](N[C@H](C)c1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000823838639 1446852389 /nfs/dbraw/zinc/85/23/89/1446852389.db2.gz SIBZFAGNDNDXEA-FZKQIMNGSA-N -1 0 335.386 3.421 20 30 EGEDRM C[C@@H](Nc1cc(-c2nn[n-]n2)nc2ccccc21)c1cccc(C#N)c1 ZINC000820455027 1446916505 /nfs/dbraw/zinc/91/65/05/1446916505.db2.gz BDVWAWNHHIVPBG-GFCCVEGCSA-N -1 0 341.378 3.460 20 30 EGEDRM C=CCOc1ccc(OC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000819759010 1446936319 /nfs/dbraw/zinc/93/63/19/1446936319.db2.gz KWBLJFVHSXAFAI-GHXNOFRVSA-N -1 0 348.362 3.050 20 30 EGEDRM O=C(C=Cc1ccnc2ccccc12)c1cccc(-c2nn[n-]n2)c1 ZINC000737804222 1447055787 /nfs/dbraw/zinc/05/57/87/1447055787.db2.gz ACOPJJYISDLIQL-CMDGGOBGSA-N -1 0 327.347 3.311 20 30 EGEDRM C=CC(C)(C)CC(=O)N[C@H](C(=O)[O-])c1ccccc1Br ZINC000909957640 939748198 /nfs/dbraw/zinc/74/81/98/939748198.db2.gz ZYXHUQSXESUHKR-ZDUSSCGKSA-N -1 0 340.217 3.293 20 30 EGEDRM N#Cc1cc(Cl)c(C(=O)Nc2cncc(C(=O)[O-])c2)c(Cl)c1 ZINC001601086818 970929661 /nfs/dbraw/zinc/92/96/61/970929661.db2.gz JURHLNKLMYUUBO-UHFFFAOYSA-N -1 0 336.134 3.211 20 30 EGEDRM C=CCC1(CNC(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)CCCC1 ZINC001602718886 971378185 /nfs/dbraw/zinc/37/81/85/971378185.db2.gz YDVSNSDPVWDSIZ-IBGZPJMESA-N -1 0 344.455 3.465 20 30 EGEDRM C=CCCN(OCc1ccccc1)C(=O)[C@]1(C(=O)[O-])CC=CCC1 ZINC001602722038 971385729 /nfs/dbraw/zinc/38/57/29/971385729.db2.gz RJQCBWXNPZUZLP-IBGZPJMESA-N -1 0 329.396 3.334 20 30 EGEDRM C=CCN(CCc1ccccc1)C(=O)Nc1cccnc1C(=O)[O-] ZINC001602722641 971387360 /nfs/dbraw/zinc/38/73/60/971387360.db2.gz DDHVBYDJLHQOPP-UHFFFAOYSA-N -1 0 325.368 3.042 20 30 EGEDRM C=CCOc1ccc(CC(=O)OCc2ccc(C(=O)[O-])cc2)cc1 ZINC001602729022 971399620 /nfs/dbraw/zinc/39/96/20/971399620.db2.gz YQXGSKSHOVGRIL-UHFFFAOYSA-N -1 0 326.348 3.236 20 30 EGEDRM C=CCn1c(S[C@H](CC)C(=O)[O-])nc2cc(Cl)ccc2c1=O ZINC001602730945 971409896 /nfs/dbraw/zinc/40/98/96/971409896.db2.gz LTJDFPQJIKSTBA-GFCCVEGCSA-N -1 0 338.816 3.191 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCc2c1cccc2-c1ccccc1 ZINC001602780773 971520615 /nfs/dbraw/zinc/52/06/15/971520615.db2.gz NIKVVCPMNUABOG-FQEVSTJZSA-N -1 0 334.375 3.247 20 30 EGEDRM C=C(C)COc1cccc(NC(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)c1 ZINC000263151128 950296819 /nfs/dbraw/zinc/29/68/19/950296819.db2.gz PLQNDRDNLRKLOC-KGLIPLIRSA-N -1 0 332.400 3.216 20 30 EGEDRM CC(C)(C)c1ccc([C@@H](C#N)NC(=O)[C@@]2(C(=O)[O-])CC=CCC2)cc1 ZINC001602922942 971882312 /nfs/dbraw/zinc/88/23/12/971882312.db2.gz KBZCFZHWQMWYCN-OXQOHEQNSA-N -1 0 340.423 3.476 20 30 EGEDRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)c2c(Cl)cc(C#N)cc2Cl)C1 ZINC001589271746 953414078 /nfs/dbraw/zinc/41/40/78/953414078.db2.gz GLQPHMYTZIUVKT-WPRPVWTQSA-N -1 0 341.194 3.048 20 30 EGEDRM C=C(C)[C@H](NC(=O)c1ccc(C(=O)[O-])nc1)c1ccc(F)c(F)c1 ZINC000776398709 955326813 /nfs/dbraw/zinc/32/68/13/955326813.db2.gz KAJJHDWGPIRWAW-HNNXBMFYSA-N -1 0 332.306 3.105 20 30 EGEDRM N#Cc1ccc(Br)cc1N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001594617810 956255126 /nfs/dbraw/zinc/25/51/26/956255126.db2.gz XMAJUIKGQFPTKR-HNNXBMFYSA-N -1 0 345.196 3.429 20 30 EGEDRM COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H](C)C(=O)[O-])cc1 ZINC001594049077 957960601 /nfs/dbraw/zinc/96/06/01/957960601.db2.gz CUUJYOPRDGTLKX-LLVKDONJSA-N -1 0 340.335 3.018 20 30 EGEDRM COc1cc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)ccc1C#N ZINC001594050805 957987976 /nfs/dbraw/zinc/98/79/76/957987976.db2.gz PAVGMSWDWJEWLG-UHFFFAOYSA-N -1 0 348.717 3.310 20 30 EGEDRM C=CCOc1ccccc1CNC(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC001343038736 958019957 /nfs/dbraw/zinc/01/99/57/958019957.db2.gz SFYIPKMSWQDEBH-MRXNPFEDSA-N -1 0 346.427 3.180 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)c1cc(C)ccc1SC1CCCC1 ZINC001588417532 958174706 /nfs/dbraw/zinc/17/47/06/958174706.db2.gz ULUBHWQZTIZYQI-UHFFFAOYSA-N -1 0 331.437 3.190 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)c1cc(-c2ccccc2)ccc1Cl ZINC001588417618 958176587 /nfs/dbraw/zinc/17/65/87/958176587.db2.gz ZNTYFVAMCGAPAX-UHFFFAOYSA-N -1 0 327.767 3.167 20 30 EGEDRM Cc1ccc(-c2cncc(F)c2)cc1NC(=O)[C@](C)(C#N)CC(=O)[O-] ZINC001594336065 958267659 /nfs/dbraw/zinc/26/76/59/958267659.db2.gz XMMLPJPJUSCQMI-SFHVURJKSA-N -1 0 341.342 3.139 20 30 EGEDRM C=CCCOCCCCC(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001588460479 958476484 /nfs/dbraw/zinc/47/64/84/958476484.db2.gz KDTGDDITNCXOEO-IRXDYDNUSA-N -1 0 331.412 3.179 20 30 EGEDRM C=CCCc1ccccc1NC(=O)N[C@H](Cc1ccncc1)C(=O)[O-] ZINC001588460522 958476736 /nfs/dbraw/zinc/47/67/36/958476736.db2.gz MYAXAGOHJSEVHQ-QGZVFWFLSA-N -1 0 339.395 3.018 20 30 EGEDRM C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC001573328160 958496435 /nfs/dbraw/zinc/49/64/35/958496435.db2.gz CBKFCQKZOVXBQI-SYNHAJSKSA-N -1 0 344.455 3.463 20 30 EGEDRM C[C@H](C(=O)[O-])C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC001573372336 958636414 /nfs/dbraw/zinc/63/64/14/958636414.db2.gz OVNXGLQTERSNDR-JTQLQIEISA-N -1 0 328.299 3.149 20 30 EGEDRM CC(C)(C)CC[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)C(=O)[O-] ZINC001573394602 958711386 /nfs/dbraw/zinc/71/13/86/958711386.db2.gz FIFIABJXDTULSB-XHSDSOJGSA-N -1 0 328.412 3.057 20 30 EGEDRM Cc1cc(/C=C\C(=O)c2ccc(OCC(=O)[O-])cc2)cc(C)c1O ZINC000213655863 959723324 /nfs/dbraw/zinc/72/33/24/959723324.db2.gz WOVAWENLNVGFAB-BAQGIRSFSA-N -1 0 326.348 3.369 20 30 EGEDRM CC(C)C[C@@H](CNc1ccc(C#N)c(Br)c1)C(=O)[O-] ZINC000228169168 959998667 /nfs/dbraw/zinc/99/86/67/959998667.db2.gz FYOYOXFNWWROBA-NSHDSACASA-N -1 0 325.206 3.480 20 30 EGEDRM C=C(C)[C@H](CC(=O)N1CCCC[C@@H]1c1ccc(C(=O)[O-])n1C)OCC ZINC001123296687 960452549 /nfs/dbraw/zinc/45/25/49/960452549.db2.gz IYPFWSNKJKPAPQ-WBVHZDCISA-N -1 0 348.443 3.148 20 30 EGEDRM CC[C@@H](C(=O)[O-])N(C)C(=O)c1ccccc1Oc1ccccc1C#N ZINC001573767842 960631075 /nfs/dbraw/zinc/63/10/75/960631075.db2.gz FZZIMVVWJMFJPE-HNNXBMFYSA-N -1 0 338.363 3.286 20 30 EGEDRM C=CCO[C@H]1CCN([C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C1 ZINC001328744567 961224678 /nfs/dbraw/zinc/22/46/78/961224678.db2.gz OGGPJMSAILEFQR-UONOGXRCSA-N -1 0 330.211 3.396 20 30 EGEDRM CC(C)[C@@H](C(=O)[O-])C(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC001588809302 961510245 /nfs/dbraw/zinc/51/02/45/961510245.db2.gz KDHABLWULXQOKG-MRXNPFEDSA-N -1 0 327.405 3.443 20 30 EGEDRM C#CCSc1ccc(COC(=O)c2cc(C(=O)[O-])oc2C)cc1 ZINC001573312241 962719430 /nfs/dbraw/zinc/71/94/30/962719430.db2.gz PBDOQQXLCGGIJF-UHFFFAOYSA-N -1 0 330.361 3.369 20 30 EGEDRM C#Cc1ccc(NC(=O)N[C@@H](C)[C@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC001573313144 962728088 /nfs/dbraw/zinc/72/80/88/962728088.db2.gz CDDZGKOJXQSZRV-KSSFIOAISA-N -1 0 336.391 3.121 20 30 EGEDRM C=C(C)C[C@H](NC(=O)c1ccc(Oc2cc(C)ccn2)cc1)C(=O)[O-] ZINC001573323721 962775075 /nfs/dbraw/zinc/77/50/75/962775075.db2.gz FUAIYYHABBYQPI-INIZCTEOSA-N -1 0 340.379 3.332 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)NC(C)(C)c1ccc(C(F)(F)F)cc1 ZINC001573331844 962818196 /nfs/dbraw/zinc/81/81/96/962818196.db2.gz CPWXPFANMVKLQD-UHFFFAOYSA-N -1 0 329.318 3.478 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)NCc1ccc(Br)cc1Cl ZINC001573332587 962836873 /nfs/dbraw/zinc/83/68/73/962836873.db2.gz MEVRASVTCPAAGX-UHFFFAOYSA-N -1 0 346.608 3.140 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1cc(F)ccc1Sc1nccn1C ZINC001573336560 962859754 /nfs/dbraw/zinc/85/97/54/962859754.db2.gz DGLHEVOFSFWTLT-UHFFFAOYSA-N -1 0 349.387 3.070 20 30 EGEDRM C=CCC(C)(C)C(=O)Nc1ccc(OCC(=O)[O-])c2ncccc12 ZINC001573350220 962967696 /nfs/dbraw/zinc/96/76/96/962967696.db2.gz GIATWCPYYNASSZ-UHFFFAOYSA-N -1 0 328.368 3.239 20 30 EGEDRM C=CC[C@@H]1CCCC[C@H]1NS(=O)(=O)CC1(C(=O)[O-])CCCCC1 ZINC001573352904 962994268 /nfs/dbraw/zinc/99/42/68/962994268.db2.gz MSEABMQXGAWVBG-HUUCEWRRSA-N -1 0 343.489 3.076 20 30 EGEDRM C=C(C)CN(Cc1ccccc1)C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001588440359 964036888 /nfs/dbraw/zinc/03/68/88/964036888.db2.gz XFFOXIOYWKHIFA-UHFFFAOYSA-N -1 0 325.368 3.390 20 30 EGEDRM C#CCCCCn1c(C2CCCC2)nnc1N1CCC[C@H](C(=O)[O-])C1 ZINC001588446164 964068180 /nfs/dbraw/zinc/06/81/80/964068180.db2.gz BQGDYRHXILAVFF-INIZCTEOSA-N -1 0 344.459 3.040 20 30 EGEDRM C#CCOc1cc(F)ccc1NC(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000899312185 969418748 /nfs/dbraw/zinc/41/87/48/969418748.db2.gz VELWUJKPVHYWLQ-CQSZACIVSA-N -1 0 348.374 3.089 20 30 EGEDRM C[C@@H](C(=O)[O-])c1noc(-c2cccc(COc3cccc(C#N)c3)c2)n1 ZINC001609717718 970491792 /nfs/dbraw/zinc/49/17/92/970491792.db2.gz BBGIYSCWVRAMLU-GFCCVEGCSA-N -1 0 349.346 3.375 20 30 EGEDRM Cc1cc(C(=O)[O-])cc(C(=O)N(CC#N)c2ccc(F)cc2C)c1 ZINC001605131183 972790866 /nfs/dbraw/zinc/79/08/66/972790866.db2.gz GRHYTBZCLCSNKP-UHFFFAOYSA-N -1 0 326.327 3.311 20 30 EGEDRM Cc1cc(NC(=O)Nc2cc(C#N)c(F)cc2F)ccc1C(=O)[O-] ZINC001605207456 972950794 /nfs/dbraw/zinc/95/07/94/972950794.db2.gz YDOVSZMQIKQZLW-UHFFFAOYSA-N -1 0 331.278 3.487 20 30 EGEDRM CC[C@@H](CNC(=O)Nc1cccc(C#Cc2ccccc2)c1)C(=O)[O-] ZINC001603565521 973684122 /nfs/dbraw/zinc/68/41/22/973684122.db2.gz ARTOBGHJEKBCTC-KRWDZBQOSA-N -1 0 336.391 3.319 20 30 EGEDRM N#Cc1cc(NC(=O)c2cccc(C(=O)[O-])c2)ccc1Br ZINC001605597459 973899666 /nfs/dbraw/zinc/89/96/66/973899666.db2.gz RUOIKHZFNVZAIC-UHFFFAOYSA-N -1 0 345.152 3.271 20 30 EGEDRM N#Cc1ccc(C[S@@](=O)Cc2ccc(C(=O)[O-])cc2)c(Cl)c1 ZINC001605611285 973917085 /nfs/dbraw/zinc/91/70/85/973917085.db2.gz PNSHHHYHKYRRLC-QFIPXVFZSA-N -1 0 333.796 3.359 20 30 EGEDRM N#Cc1ccccc1/C=C/C(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21 ZINC001605620331 973943959 /nfs/dbraw/zinc/94/39/59/973943959.db2.gz ZQMVKTSOUNYOEF-OAGJVSPASA-N -1 0 332.359 3.177 20 30 EGEDRM Cc1c(C(=O)/C=C\c2ccc(OCC(=O)[O-])cc2)cnn1C(C)C ZINC000588559938 974965023 /nfs/dbraw/zinc/96/50/23/974965023.db2.gz YHXDWOOBAYURRD-TWGQIWQCSA-N -1 0 328.368 3.132 20 30 EGEDRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N1CCC[C@@](C)(C#N)C1 ZINC001591763064 975862167 /nfs/dbraw/zinc/86/21/67/975862167.db2.gz BOMUUHFAAXFRBQ-SFHVURJKSA-N -1 0 345.399 3.330 20 30 EGEDRM C[C@@H](CC1(C#N)CCOCC1)Nc1ccc2c(c1)[nH]cc2C(=O)[O-] ZINC001592459174 978176862 /nfs/dbraw/zinc/17/68/62/978176862.db2.gz JVEXHWKDSCRYQI-LBPRGKRZSA-N -1 0 327.384 3.377 20 30 EGEDRM O=C([O-])c1ccc(/C=C\C(=O)c2ncc(Br)s2)cc1 ZINC000756844158 978700239 /nfs/dbraw/zinc/70/02/39/978700239.db2.gz JGCDPLBLUJXGGW-UTCJRWHESA-N -1 0 338.182 3.500 20 30 EGEDRM COc1cccc2c1CCC2N=Nc1ccc(C(=O)[O-])cc1OC ZINC000756898975 978700655 /nfs/dbraw/zinc/70/06/55/978700655.db2.gz KDECTAFNESODFU-UHFFFAOYSA-N -1 0 326.352 3.164 20 30 EGEDRM C[C@H](CCc1ccc2c(c1)OCO2)NN=Cc1cccc(C(=O)[O-])c1 ZINC000814924622 978898698 /nfs/dbraw/zinc/89/86/98/978898698.db2.gz VELJSUSSERMKCF-CYBMUJFWSA-N -1 0 340.379 3.058 20 30 EGEDRM CC(C)(CC(=O)[O-])CC(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1 ZINC000833452412 979186991 /nfs/dbraw/zinc/18/69/91/979186991.db2.gz DQQTWNJMXVIXHW-LBPRGKRZSA-N -1 0 342.317 3.277 20 30 EGEDRM CC[C@@H](C#N)NC(=O)c1ccccc1SCc1occc1C(=O)[O-] ZINC000833636178 979212582 /nfs/dbraw/zinc/21/25/82/979212582.db2.gz KHUXWCVMHCMICX-NSHDSACASA-N -1 0 344.392 3.302 20 30 EGEDRM CC[C@@](NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)(C(=O)[O-])c1ccccc1 ZINC001595258806 980259041 /nfs/dbraw/zinc/25/90/41/980259041.db2.gz BCCWPHOAWINXGE-UEXGIBASSA-N -1 0 348.402 3.168 20 30 EGEDRM C=C(C)[C@@H](CC(=O)Nc1cccc(CSCC(=O)[O-])c1)OCC ZINC000909224880 981436314 /nfs/dbraw/zinc/43/63/14/981436314.db2.gz HFDNNOSEVPCLLE-OAHLLOKOSA-N -1 0 337.441 3.314 20 30 EGEDRM CC[C@@H](C(=O)[O-])N(C(=O)c1sccc1CC#N)c1ccccc1 ZINC001594769834 981733643 /nfs/dbraw/zinc/73/36/43/981733643.db2.gz BECXKHGQFLPZOY-AWEZNQCLSA-N -1 0 328.393 3.324 20 30 EGEDRM CC[C@H](C(=O)[O-])N(C(=O)c1ccc(F)c(C#N)c1)c1ccccc1 ZINC001594770174 981736689 /nfs/dbraw/zinc/73/66/89/981736689.db2.gz HRLVRGNJAVCOOM-MRXNPFEDSA-N -1 0 326.327 3.207 20 30 EGEDRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1cc(C#N)ccc1Cl ZINC001594790186 981841296 /nfs/dbraw/zinc/84/12/96/981841296.db2.gz DIENHQKGRQVNHH-KRWDZBQOSA-N -1 0 334.803 3.317 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)[C@H](C)c1ccc(C(=O)C(C)C)cc1)C(=O)[O-] ZINC000910295440 981849889 /nfs/dbraw/zinc/84/98/89/981849889.db2.gz VOLISDBNYAPTRP-CZUORRHYSA-N -1 0 331.412 3.164 20 30 EGEDRM C=CCCC[C@@H](NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)c1ccccc1 ZINC000910518208 981982282 /nfs/dbraw/zinc/98/22/82/981982282.db2.gz ZIKHVXFYQXYLAW-RCCFBDPRSA-N -1 0 345.439 3.470 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1cnn(C2CCCCC2)c1C)C(=O)[O-] ZINC000910915835 982162522 /nfs/dbraw/zinc/16/25/22/982162522.db2.gz BRIOVFRCBUGYNX-INIZCTEOSA-N -1 0 333.432 3.236 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1cccc([C@H]2CCCOC2)c1)C(=O)[O-] ZINC000910921795 982165200 /nfs/dbraw/zinc/16/52/00/982165200.db2.gz GCVXLLUNOWOPHH-IRXDYDNUSA-N -1 0 331.412 3.120 20 30 EGEDRM C=C1CCC(CNC(=O)c2[nH]c3ccccc3c2CC(=O)[O-])CC1 ZINC000910990193 982185288 /nfs/dbraw/zinc/18/52/88/982185288.db2.gz ISEUZTKJNDQXJQ-UHFFFAOYSA-N -1 0 326.396 3.271 20 30 EGEDRM CCCCCCCNS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC001595704298 982273545 /nfs/dbraw/zinc/27/35/45/982273545.db2.gz DCNGLGJUQZNKIT-UHFFFAOYSA-N -1 0 327.446 3.250 20 30 EGEDRM CCCCCCCCC(=O)N1CCC(O)(C2(C(=O)[O-])CCC2)CC1 ZINC001595704862 982280670 /nfs/dbraw/zinc/28/06/70/982280670.db2.gz KKIWHFUTQSGJMY-UHFFFAOYSA-N -1 0 339.476 3.345 20 30 EGEDRM CCCCCCC[C@H](C)CN1C(=O)[C@@H]2C[C@H](C(=O)[O-])CCN2C1=O ZINC001595704933 982281167 /nfs/dbraw/zinc/28/11/67/982281167.db2.gz LNCJFCCJLITZNQ-ZNMIVQPWSA-N -1 0 338.448 3.110 20 30 EGEDRM CC[C@@](CNC(=O)C1(C#N)CCCCC1)(C(=O)[O-])c1ccccc1 ZINC000923081124 982711791 /nfs/dbraw/zinc/71/17/91/982711791.db2.gz RARFFUIUWNUOMA-IBGZPJMESA-N -1 0 328.412 3.009 20 30 EGEDRM CCC[C@H](NC(=O)c1ccccc1Oc1ccccc1C#N)C(=O)[O-] ZINC001596019898 983282220 /nfs/dbraw/zinc/28/22/20/983282220.db2.gz ZWDACHUTEKNSME-HNNXBMFYSA-N -1 0 338.363 3.334 20 30 EGEDRM C#C[C@@H](C)NC(=O)Nc1c(OCc2ccccc2)cccc1C(=O)[O-] ZINC001588368061 983303452 /nfs/dbraw/zinc/30/34/52/983303452.db2.gz GEBLSSYLOBTGRV-CYBMUJFWSA-N -1 0 338.363 3.107 20 30 EGEDRM C#C[C@@H](CCC)NC(=O)N1CCC(Cc2ccccc2C(=O)[O-])CC1 ZINC001588369433 983314330 /nfs/dbraw/zinc/31/43/30/983314330.db2.gz LUVWHNIFQUPCGJ-KRWDZBQOSA-N -1 0 342.439 3.151 20 30 EGEDRM C#CC[C@H](NC(=O)C(C)(C)c1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC001588395446 983405865 /nfs/dbraw/zinc/40/58/65/983405865.db2.gz QYUGTPXJLXHYMN-SFHVURJKSA-N -1 0 335.403 3.224 20 30 EGEDRM C#CC[C@H](NC(=O)/C=C\c1ccc(-c2ccc(F)cc2)s1)C(=O)[O-] ZINC001588404851 983419291 /nfs/dbraw/zinc/41/92/91/983419291.db2.gz AWEVWYOCJSPPTJ-KLQCNHIUSA-N -1 0 343.379 3.160 20 30 EGEDRM C#CC[C@@H](NC(=O)/C=C\c1ccc(-c2ccc(F)cc2)s1)C(=O)[O-] ZINC001588404855 983419311 /nfs/dbraw/zinc/41/93/11/983419311.db2.gz AWEVWYOCJSPPTJ-ZHUYAKLQSA-N -1 0 343.379 3.160 20 30 EGEDRM C#CCC1(C(=O)Nc2ccc(C(=O)OC)c(C(=O)[O-])c2)CCCCC1 ZINC001588428659 983463004 /nfs/dbraw/zinc/46/30/04/983463004.db2.gz WUAVEQIXVMBCNG-UHFFFAOYSA-N -1 0 343.379 3.084 20 30 EGEDRM C#CCOc1ccccc1-c1noc([C@H]2CCC[C@H](C(=O)[O-])C2)n1 ZINC001588504461 983547761 /nfs/dbraw/zinc/54/77/61/983547761.db2.gz XEONLYVKRHBSSE-STQMWFEESA-N -1 0 326.352 3.107 20 30 EGEDRM C#Cc1ccc(NC(=O)NCc2cc(C)c(C(=O)[O-])o2)c(Cl)c1 ZINC001588518309 983569362 /nfs/dbraw/zinc/56/93/62/983569362.db2.gz ZYCIWQUSWZYGHS-UHFFFAOYSA-N -1 0 332.743 3.243 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N[C@H](C)c1nc2ccccc2n1C(F)F ZINC001588621549 983719631 /nfs/dbraw/zinc/71/96/31/983719631.db2.gz GJUIJCYJDVUOCZ-SNVBAGLBSA-N -1 0 337.326 3.030 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1cc(Cl)ccc1O[C@@H](C)COC ZINC001588629385 983736831 /nfs/dbraw/zinc/73/68/31/983736831.db2.gz JOHUEUVHEMSIAB-NSHDSACASA-N -1 0 341.791 3.113 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1cc(C)n(-c2cccc(Cl)c2)n1 ZINC001588629892 983740001 /nfs/dbraw/zinc/74/00/01/983740001.db2.gz XEMSWVVMSSTUQR-UHFFFAOYSA-N -1 0 333.775 3.194 20 30 EGEDRM C=C[C@H](C(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F)c1ccccc1 ZINC001588663756 983796646 /nfs/dbraw/zinc/79/66/46/983796646.db2.gz KJGDORMVYDYLBD-XJKSGUPXSA-N -1 0 331.318 3.177 20 30 EGEDRM C=C[C@H](Sc1nc2cc(Cl)ccc2n1CCOC)C(=O)[O-] ZINC001588714221 983950637 /nfs/dbraw/zinc/95/06/37/983950637.db2.gz CHHNRKURHOLUSA-LBPRGKRZSA-N -1 0 326.805 3.067 20 30 EGEDRM C=C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)[O-])c2ccccc21 ZINC001588719051 983958219 /nfs/dbraw/zinc/95/82/19/983958219.db2.gz JWLAQCBQWFIJGN-CYBMUJFWSA-N -1 0 345.420 3.267 20 30 EGEDRM C=CC[C@@H](C(=O)NCc1nc2cc(C(=O)[O-])ccc2[nH]1)c1ccccc1 ZINC001588721009 983971421 /nfs/dbraw/zinc/97/14/21/983971421.db2.gz KXEGABMTGLJUAF-OAHLLOKOSA-N -1 0 349.390 3.237 20 30 EGEDRM C=CC[C@H](C)NC(=O)Nc1cc(C(=O)[O-])c(NC(C)=O)cc1Cl ZINC001588735939 984021435 /nfs/dbraw/zinc/02/14/35/984021435.db2.gz POLQWEZJPHBGEF-QMMMGPOBSA-N -1 0 339.779 3.083 20 30 EGEDRM C=CCC(C)(C)CNC(=O)N1CCc2c(C(=O)[O-])ccc(OC)c2C1 ZINC001588736857 984027062 /nfs/dbraw/zinc/02/70/62/984027062.db2.gz WXYLCODXWOWLRS-UHFFFAOYSA-N -1 0 346.427 3.063 20 30 EGEDRM C=CCC(F)(F)C(=O)NC[C@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC001588742532 984033542 /nfs/dbraw/zinc/03/35/42/984033542.db2.gz FYPIEQNYOHIURC-INIZCTEOSA-N -1 0 347.361 3.411 20 30 EGEDRM C=CCC(F)(F)C(=O)N[C@@H](CC(=O)[O-])c1ccc(SC)cc1 ZINC001588743187 984036500 /nfs/dbraw/zinc/03/65/00/984036500.db2.gz TXMYSQWZZRHZRP-LBPRGKRZSA-N -1 0 329.368 3.252 20 30 EGEDRM C=CC[C@@H](Sc1ccc(S(=O)(=O)C(F)(F)F)cc1)C(=O)[O-] ZINC001588758729 984107521 /nfs/dbraw/zinc/10/75/21/984107521.db2.gz IZCAZTHDMYUVOB-SNVBAGLBSA-N -1 0 340.344 3.102 20 30 EGEDRM C=CCCC(=O)N[C@](C)(CC(=O)[O-])c1ccc(Br)cc1 ZINC001588774005 984150341 /nfs/dbraw/zinc/15/03/41/984150341.db2.gz OOLGKGAIKNSNKC-OAHLLOKOSA-N -1 0 340.217 3.221 20 30 EGEDRM C=CC[C@H]1N(S(=O)(=O)C2CCC(C(=O)[O-])CC2)CCCC1(C)C ZINC001588774454 984151805 /nfs/dbraw/zinc/15/18/05/984151805.db2.gz ZVGJOWOHMVEOES-YMAMQOFZSA-N -1 0 343.489 3.026 20 30 EGEDRM C=CCC[C@H](C(=O)N[C@H](Cc1cncs1)C(=O)[O-])c1ccccc1 ZINC001588776797 984153609 /nfs/dbraw/zinc/15/36/09/984153609.db2.gz GXZRKXVLHZRSQB-JKSUJKDBSA-N -1 0 344.436 3.005 20 30 EGEDRM C=CCCC(C)(C)CNC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001588777158 984155491 /nfs/dbraw/zinc/15/54/91/984155491.db2.gz VCDWTSYLPYRZCM-DLBZAZTESA-N -1 0 344.455 3.489 20 30 EGEDRM C=CCCC1(CNS(=O)(=O)c2ccsc2C(=O)[O-])CCCC1 ZINC001588782680 984174201 /nfs/dbraw/zinc/17/42/01/984174201.db2.gz YYCRRYYQAOXSEU-UHFFFAOYSA-N -1 0 343.470 3.251 20 30 EGEDRM C=CCCC[C@H](NC(=O)C1(c2ccc(OC)cc2)CCCC1)C(=O)[O-] ZINC001588789894 984202277 /nfs/dbraw/zinc/20/22/77/984202277.db2.gz MHAGAVCAVDYCTL-KRWDZBQOSA-N -1 0 345.439 3.433 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1cc(Oc2ccccc2)ccn1)C(=O)[O-] ZINC001588793532 984220083 /nfs/dbraw/zinc/22/00/83/984220083.db2.gz ZEJPYPOWNRATLZ-INIZCTEOSA-N -1 0 340.379 3.413 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1sc2ncccc2c1Cl)C(=O)[O-] ZINC001588797767 984231066 /nfs/dbraw/zinc/23/10/66/984231066.db2.gz LUQNOJMIQUYKFX-SNVBAGLBSA-N -1 0 338.816 3.489 20 30 EGEDRM C=CCN(CC(=O)N(C)c1ccccc1C(=O)[O-])Cc1cccs1 ZINC001588824063 984296328 /nfs/dbraw/zinc/29/63/28/984296328.db2.gz OIIKEYPLHZDXBF-UHFFFAOYSA-N -1 0 344.436 3.097 20 30 EGEDRM C=CCN(CCOC)C(=O)Nc1cccc2cc(C(=O)[O-])sc21 ZINC001588828934 984310213 /nfs/dbraw/zinc/31/02/13/984310213.db2.gz ULNSCCFSGFBPGW-UHFFFAOYSA-N -1 0 334.397 3.266 20 30 EGEDRM C=CCN1C(=O)N[C@H](c2ccc3nc(C)sc3c2)C(C(=O)[O-])=C1C ZINC001588837274 984333823 /nfs/dbraw/zinc/33/38/23/984333823.db2.gz XDALYKAORLRNLO-OAHLLOKOSA-N -1 0 343.408 3.216 20 30 EGEDRM C=CCO[C@@H]1CCN(C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)C1 ZINC001588849858 984376249 /nfs/dbraw/zinc/37/62/49/984376249.db2.gz LVDDNWALHUDEKT-CYBMUJFWSA-N -1 0 346.408 3.408 20 30 EGEDRM C=CCOC[C@@H](NC(=O)CC1CCC(C(C)(C)C)CC1)C(=O)[O-] ZINC001588853637 984384801 /nfs/dbraw/zinc/38/48/01/984384801.db2.gz DGILNDXZPKKDNG-YMAMQOFZSA-N -1 0 325.449 3.001 20 30 EGEDRM C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H](C)/C=C\C(=O)[O-] ZINC001588874767 984448940 /nfs/dbraw/zinc/44/89/40/984448940.db2.gz FWRIJLZVGUVNGK-ISGFRBBESA-N -1 0 343.301 3.029 20 30 EGEDRM C=CCOc1ccc(C(=O)OCc2cc(C)c(C(=O)[O-])o2)cc1OC ZINC001588874825 984449009 /nfs/dbraw/zinc/44/90/09/984449009.db2.gz HXEDVRCZGRTENR-UHFFFAOYSA-N -1 0 346.335 3.217 20 30 EGEDRM C=CCc1cccc(F)c1OS(=O)(=O)c1ccsc1C(=O)[O-] ZINC001588886309 984471600 /nfs/dbraw/zinc/47/16/00/984471600.db2.gz GAZMLDUQIBEJOK-UHFFFAOYSA-N -1 0 342.369 3.082 20 30 EGEDRM C=CCn1nnnc1S[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC001588912917 984553450 /nfs/dbraw/zinc/55/34/50/984553450.db2.gz SIRUAPDAQOZQKG-SNVBAGLBSA-N -1 0 345.211 3.084 20 30 EGEDRM CC#CCCNC(=O)c1ccccc1SCc1occc1C(=O)[O-] ZINC001588926973 984595730 /nfs/dbraw/zinc/59/57/30/984595730.db2.gz GUVAODYVFZVPGL-UHFFFAOYSA-N -1 0 343.404 3.413 20 30 EGEDRM CC(=NOCc1ccc(Cl)cn1)c1ccc(OCC(=O)[O-])cc1 ZINC001589021677 985012643 /nfs/dbraw/zinc/01/26/43/985012643.db2.gz SCCLIQQWXNRXQT-UHFFFAOYSA-N -1 0 334.759 3.139 20 30 EGEDRM C[C@]1(C(=O)OCc2cccc(C(=O)[O-])c2C#N)C[C@@H]1c1ccccc1 ZINC001599938212 985422704 /nfs/dbraw/zinc/42/27/04/985422704.db2.gz BFELLTAODWYHQY-XLIONFOSSA-N -1 0 335.359 3.493 20 30 EGEDRM CCO[C@@H]1C[C@@H]1C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC001596847555 985560192 /nfs/dbraw/zinc/56/01/92/985560192.db2.gz WQAJPYQFTQOXJZ-RBUKOAKNSA-N -1 0 349.386 3.148 20 30 EGEDRM C[C@@H](C#N)Oc1ccccc1NC(=O)c1ccccc1CCC(=O)[O-] ZINC001589334101 986198180 /nfs/dbraw/zinc/19/81/80/986198180.db2.gz AFUNFBQXROXYRF-ZDUSSCGKSA-N -1 0 338.363 3.247 20 30 EGEDRM C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001589334756 986204781 /nfs/dbraw/zinc/20/47/81/986204781.db2.gz JEXWTYBFOIWWBC-NSHDSACASA-N -1 0 325.324 3.320 20 30 EGEDRM Cc1c(C(=O)[O-])c2cc(OC(=O)c3c[nH]c(C#N)c3)ccc2n1C1CC1 ZINC001599986098 986229113 /nfs/dbraw/zinc/22/91/13/986229113.db2.gz QEIMBYZDVILWJZ-UHFFFAOYSA-N -1 0 349.346 3.402 20 30 EGEDRM C[C@@H](C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(F)cc1F ZINC001589540074 987239239 /nfs/dbraw/zinc/23/92/39/987239239.db2.gz HOUIQFOINJHHOS-HWPZZCPQSA-N -1 0 345.301 3.309 20 30 EGEDRM CC(C)(C#N)CCS(=O)(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001589554673 987302316 /nfs/dbraw/zinc/30/23/16/987302316.db2.gz KPDPTUYRBCIXGO-UHFFFAOYSA-N -1 0 346.408 3.220 20 30 EGEDRM CC(C)(C(=O)[O-])[C@H]1CCCN(c2nc3cc(Cl)ccn3c2C#N)C1 ZINC001589616922 987486660 /nfs/dbraw/zinc/48/66/60/987486660.db2.gz JYIDAHORALXKSB-NSHDSACASA-N -1 0 346.818 3.187 20 30 EGEDRM CC(C)(C)C[C@@H](Nc1nccc(Oc2cccc(C#N)c2)n1)C(=O)[O-] ZINC001589757111 988069957 /nfs/dbraw/zinc/06/99/57/988069957.db2.gz LORCBJQDRPPXGO-CQSZACIVSA-N -1 0 340.383 3.442 20 30 EGEDRM CC(C)(C)C[C@@H](OC(=O)C(C)(C)Oc1ccc(C#N)cc1)C(=O)[O-] ZINC001589760054 988080666 /nfs/dbraw/zinc/08/06/66/988080666.db2.gz LRMPLSYDRWOGOO-CQSZACIVSA-N -1 0 333.384 3.148 20 30 EGEDRM CCc1ccc([C@@H](C#N)N(C)C(=O)c2ccc(C(=O)[O-])c(F)c2)cc1 ZINC001597508267 988085602 /nfs/dbraw/zinc/08/56/02/988085602.db2.gz KBMUYDXRCSKBAU-QGZVFWFLSA-N -1 0 340.354 3.423 20 30 EGEDRM CSc1ccc(CN[C@H](C)c2ncc(C(=O)[O-])s2)cc1C#N ZINC001599813245 988374746 /nfs/dbraw/zinc/37/47/46/988374746.db2.gz NQCCKUJHJIJWKO-SECBINFHSA-N -1 0 333.438 3.286 20 30 EGEDRM CCc1nc(NC(=O)[C@H](CC#N)c2ccccc2)sc1C(=O)[O-] ZINC001597676307 988789703 /nfs/dbraw/zinc/78/97/03/988789703.db2.gz SUACYDXQUGTEGW-LLVKDONJSA-N -1 0 329.381 3.040 20 30 EGEDRM CCc1oc(C=NNc2ccc(Br)cn2)cc1C(=O)[O-] ZINC001597793197 989340874 /nfs/dbraw/zinc/34/08/74/989340874.db2.gz VABQYTPPJPTUJP-UHFFFAOYSA-N -1 0 338.161 3.144 20 30 EGEDRM CC(C)(CNC(=O)c1cn(CCCC#N)c2ccccc12)CC(=O)[O-] ZINC001590757407 990556697 /nfs/dbraw/zinc/55/66/97/990556697.db2.gz SWKGVRXPGRKHND-UHFFFAOYSA-N -1 0 341.411 3.176 20 30 EGEDRM CC(C)(Oc1ccc(C#N)cc1)C(=O)OCc1ccsc1C(=O)[O-] ZINC001590904781 990866844 /nfs/dbraw/zinc/86/68/44/990866844.db2.gz NMZNXFZPVNZCJC-UHFFFAOYSA-N -1 0 345.376 3.219 20 30 EGEDRM CN(C)c1cc(C#N)cc(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)c1 ZINC001598287433 991188001 /nfs/dbraw/zinc/18/80/01/991188001.db2.gz HFXWTBARDCBCRD-ZWKOTPCHSA-N -1 0 349.390 3.065 20 30 EGEDRM COc1ccccc1CON=C(C)c1ccccc1OCC(=O)[O-] ZINC001599713206 991406841 /nfs/dbraw/zinc/40/68/41/991406841.db2.gz SXMYGEUBSKLESP-UHFFFAOYSA-N -1 0 329.352 3.099 20 30 EGEDRM CN(Cc1cccc(C#N)c1)C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001598525534 992715901 /nfs/dbraw/zinc/71/59/01/992715901.db2.gz OQUTZOKATYTGNO-ZWKOTPCHSA-N -1 0 349.390 3.410 20 30 EGEDRM COc1ccc(NC(=S)NN=C(C)CC(C)(C)CC(=O)[O-])cc1 ZINC001599596802 993758650 /nfs/dbraw/zinc/75/86/50/993758650.db2.gz XMRVCMILHJIPIC-UHFFFAOYSA-N -1 0 337.445 3.249 20 30 EGEDRM C[C@H](OC(=O)[C@@]1(C(=O)[O-])C[C@H]1c1ccccc1)c1cccc(C#N)c1 ZINC001593490482 995455214 /nfs/dbraw/zinc/45/52/14/995455214.db2.gz DBVFHYVYBHVZBF-ROOHIHILSA-N -1 0 335.359 3.421 20 30 EGEDRM C[C@H](OC(=O)[C@@]1(C(=O)[O-])C[C@@H]1c1ccccc1)c1cccc(C#N)c1 ZINC001593490486 995455380 /nfs/dbraw/zinc/45/53/80/995455380.db2.gz DBVFHYVYBHVZBF-ZLXGRDSLSA-N -1 0 335.359 3.421 20 30 EGEDRM CC1(C)C(=O)Nc2ccc(C(=O)/C=C/c3cc(C(=O)[O-])co3)cc21 ZINC001593823657 996566744 /nfs/dbraw/zinc/56/67/44/996566744.db2.gz JRTDXJPHBGISFE-GQCTYLIASA-N -1 0 325.320 3.104 20 30 EGEDRM COCc1cc(NCCCOc2ccc(C#N)cc2)cc(C(=O)[O-])c1 ZINC001599289809 997044500 /nfs/dbraw/zinc/04/45/00/997044500.db2.gz OBAVWSRWFICISF-UHFFFAOYSA-N -1 0 340.379 3.284 20 30 EGEDRM CC1(C)OCCC1N=Nc1cc(C(=O)[O-])ccc1Br ZINC001593975629 997163409 /nfs/dbraw/zinc/16/34/09/997163409.db2.gz CJGBRXUDMCJLEH-UHFFFAOYSA-N -1 0 327.178 3.114 20 30 EGEDRM C[C@]1(NC(=O)C[C@H](CC#N)c2ccccc2)CCCC[C@@H]1C(=O)[O-] ZINC001594054019 997781699 /nfs/dbraw/zinc/78/16/99/997781699.db2.gz ZSHQMECXGCWYQN-FCEWJHQRSA-N -1 0 328.412 3.224 20 30 EGEDRM C[C@@]1(NC(=O)c2cccc(SCC#N)c2)CCCC[C@H]1C(=O)[O-] ZINC001594055459 997785054 /nfs/dbraw/zinc/78/50/54/997785054.db2.gz CCQBNBGFGLCGBT-WMLDXEAASA-N -1 0 332.425 3.066 20 30 EGEDRM COC(=O)c1ccc(NN=Cc2cccn2[C@H](C)C(=O)[O-])cc1Cl ZINC001598983937 998683908 /nfs/dbraw/zinc/68/39/08/998683908.db2.gz AMJHWQMNFSHNMV-SNVBAGLBSA-N -1 0 349.774 3.020 20 30 EGEDRM CC(C)c1ccc(S([O-])=CC(=O)NCc2ccc(C#N)cc2)cc1 ZINC000264593176 141057261 /nfs/dbraw/zinc/05/72/61/141057261.db2.gz YDKGPIVGJQCLOR-DEOSSOPVSA-N -1 0 340.448 3.106 20 30 EGEDRM Cc1ccc(C#N)cc1NS(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000356827949 141350197 /nfs/dbraw/zinc/35/01/97/141350197.db2.gz VVSHCMPGEAFUQA-UHFFFAOYSA-N -1 0 326.299 3.085 20 30 EGEDRM Cc1ncc(S(=O)(=O)[N-]c2ccc(C#N)c(C(F)(F)F)c2)s1 ZINC000318497705 154159559 /nfs/dbraw/zinc/15/95/59/154159559.db2.gz IVCBGKVDGJYMST-UHFFFAOYSA-N -1 0 347.343 3.143 20 30 EGEDRM Cc1ccc(C#N)cc1NC(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000339890361 155021181 /nfs/dbraw/zinc/02/11/81/155021181.db2.gz CQZPEGFMAWPHGA-UHFFFAOYSA-N -1 0 336.326 3.149 20 30 EGEDRM CCOc1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C#N)c1 ZINC000337139400 163140847 /nfs/dbraw/zinc/14/08/47/163140847.db2.gz QBEYDKBUECBTPJ-UHFFFAOYSA-N -1 0 336.800 3.411 20 30 EGEDRM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccccc3C#N)cc(Cl)c2O1 ZINC000343809942 164040714 /nfs/dbraw/zinc/04/07/14/164040714.db2.gz AWUVLOWUSDEOQN-JTQLQIEISA-N -1 0 348.811 3.336 20 30 EGEDRM Cc1nc(C)c([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)s1 ZINC000359051328 167050350 /nfs/dbraw/zinc/05/03/50/167050350.db2.gz VRCVCGXKLFQQJM-UHFFFAOYSA-N -1 0 327.818 3.086 20 30 EGEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1cc(Cl)cc2cccnc21 ZINC000359718896 167213193 /nfs/dbraw/zinc/21/31/93/167213193.db2.gz RSOHNMWJBNLJAG-UHFFFAOYSA-N -1 0 337.770 3.035 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)cc1 ZINC000461334625 270054739 /nfs/dbraw/zinc/05/47/39/270054739.db2.gz QZCDEJSTYSZXPF-UHFFFAOYSA-N -1 0 332.328 3.439 20 30 EGEDRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(C#N)c2C)c1 ZINC000179026238 265357087 /nfs/dbraw/zinc/35/70/87/265357087.db2.gz UPEKPJWXHAXQIG-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM CCC[C@@]1(C)CCCN(C(=O)c2cc(C#N)c(SC)[n-]c2=O)C1 ZINC000330720351 266071422 /nfs/dbraw/zinc/07/14/22/266071422.db2.gz FBUVTPDKDFPXPV-KRWDZBQOSA-N -1 0 333.457 3.423 20 30 EGEDRM CCSc1n[n-]c(=NCc2ccc(F)c(C#N)c2Cl)s1 ZINC000447965093 267182667 /nfs/dbraw/zinc/18/26/67/267182667.db2.gz SISDBEKIIJFPRL-UHFFFAOYSA-N -1 0 328.825 3.348 20 30 EGEDRM Cc1cc(NC(=O)c2ccc(C#N)c([O-])c2)n(Cc2ccccc2)n1 ZINC000188356258 267345006 /nfs/dbraw/zinc/34/50/06/267345006.db2.gz OKQUDQSLQJCXML-UHFFFAOYSA-N -1 0 332.363 3.069 20 30 EGEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)nc2)ccc1C(F)(F)F ZINC000174757036 267348536 /nfs/dbraw/zinc/34/85/36/267348536.db2.gz HOHDFXHPVZOTMR-UHFFFAOYSA-N -1 0 341.314 3.081 20 30 EGEDRM N#Cc1ccc(C[C@H](C#N)C(=O)Nc2cc(Cl)c([O-])cc2F)cc1 ZINC000345620057 268092287 /nfs/dbraw/zinc/09/22/87/268092287.db2.gz HVXKCUZRFCCUFV-GFCCVEGCSA-N -1 0 343.745 3.377 20 30 EGEDRM CC(C)Cn1cc([N-]c2ncc(C#N)cc2[N+](=O)[O-])c(C(F)F)n1 ZINC000450409704 269615469 /nfs/dbraw/zinc/61/54/69/269615469.db2.gz LELGWAPVTZEPSH-UHFFFAOYSA-N -1 0 336.302 3.395 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)nc1 ZINC000051953467 303195315 /nfs/dbraw/zinc/19/53/15/303195315.db2.gz BOSJAYHRWJFFJO-UHFFFAOYSA-N -1 0 328.180 3.061 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccnc2-c2ccccc2)cc1 ZINC000164994791 307928785 /nfs/dbraw/zinc/92/87/85/307928785.db2.gz LWJVRBSEAIPHDJ-UHFFFAOYSA-N -1 0 335.388 3.421 20 30 EGEDRM CSCc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000546781304 314857823 /nfs/dbraw/zinc/85/78/23/314857823.db2.gz QWKZIICSZXKREY-UHFFFAOYSA-N -1 0 336.413 3.361 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2cc(C)c(N(C)C)cc2C#N)cc1C ZINC000555137292 315368340 /nfs/dbraw/zinc/36/83/40/315368340.db2.gz RVFOASNWSYWNQM-UHFFFAOYSA-N -1 0 343.452 3.350 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2OC(F)F)s1 ZINC000230334566 456137434 /nfs/dbraw/zinc/13/74/34/456137434.db2.gz CUGDICUXTHKNRP-UHFFFAOYSA-N -1 0 330.337 3.022 20 30 EGEDRM CCc1cc(C#N)c([N-]S(=O)(=O)c2ccc3c(c2)CCC3)s1 ZINC000581224694 325342218 /nfs/dbraw/zinc/34/22/18/325342218.db2.gz IKWIDQSMCCVHJT-UHFFFAOYSA-N -1 0 332.450 3.472 20 30 EGEDRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2cccc(C#N)n2)cc1 ZINC000583872263 325558933 /nfs/dbraw/zinc/55/89/33/325558933.db2.gz WDLMWVKPOLMIGD-UHFFFAOYSA-N -1 0 329.425 3.442 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(F)(F)F)c2)o1 ZINC000340812079 456697585 /nfs/dbraw/zinc/69/75/85/456697585.db2.gz GXEWKUDOPSBTIF-UHFFFAOYSA-N -1 0 334.250 3.110 20 30 EGEDRM C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(C(=O)[O-])cc1 ZINC000238030231 455246839 /nfs/dbraw/zinc/24/68/39/455246839.db2.gz JHJVDKFILYLLJI-UHFFFAOYSA-N -1 0 340.335 3.121 20 30 EGEDRM CC(C)(C)C[C@H]([N-]S(=O)(=O)Cc1cccc(C#N)c1)C(F)(F)F ZINC000183303192 455274909 /nfs/dbraw/zinc/27/49/09/455274909.db2.gz YXTNEJUIMXHDOI-ZDUSSCGKSA-N -1 0 348.390 3.345 20 30 EGEDRM Cc1sc([C@H]2CCCN2c2ncc(C#N)cc2Cl)nc1C(=O)[O-] ZINC000600674230 460564376 /nfs/dbraw/zinc/56/43/76/460564376.db2.gz FESMASSQTRTCQJ-LLVKDONJSA-N -1 0 348.815 3.411 20 30 EGEDRM Cc1cc(N2CC[C@H](C(=O)[O-])[C@@H](C)C2)n2c3ccccc3nc2c1C#N ZINC000600803484 460610115 /nfs/dbraw/zinc/61/01/15/460610115.db2.gz WDCFBQFVRLFBQF-KBPBESRZSA-N -1 0 348.406 3.215 20 30 EGEDRM N#Cc1nc(NC(=O)Cc2ccc(-c3ccccc3)cc2)[n-]c1C#N ZINC000026273499 453795479 /nfs/dbraw/zinc/79/54/79/453795479.db2.gz WDLNLCSTDVXWLB-UHFFFAOYSA-N -1 0 327.347 3.001 20 30 EGEDRM CC(C)(C)c1ccc2cc(C(=O)Nc3nc(C#N)c(C#N)[n-]3)[nH]c2c1 ZINC000075714101 453921042 /nfs/dbraw/zinc/92/10/42/453921042.db2.gz SUHXVUIKGVEUDJ-UHFFFAOYSA-N -1 0 332.367 3.184 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)NC23CC4CC(CC(C4)C2)C3)cc1C#N ZINC000083992818 453964291 /nfs/dbraw/zinc/96/42/91/453964291.db2.gz PXSSDCBKLOULCG-UHFFFAOYSA-N -1 0 343.452 3.079 20 30 EGEDRM N#CC(=C([O-])c1nn(-c2ccccc2)c2c1CCC2)c1ccccn1 ZINC000041492050 453968852 /nfs/dbraw/zinc/96/88/52/453968852.db2.gz RQMMHQDHXRFVHQ-INIZCTEOSA-N -1 0 328.375 3.246 20 30 EGEDRM Cc1cc(C(C#N)=C([O-])c2ccc(Cl)cc2[N+](=O)[O-])nc(C)n1 ZINC000041574324 453973230 /nfs/dbraw/zinc/97/32/30/453973230.db2.gz HFFOWSNAQZYQGO-LBPRGKRZSA-N -1 0 330.731 3.145 20 30 EGEDRM N#Cc1cc([N-]S(=O)(=O)c2ccccc2OC(F)F)ccc1F ZINC000076839168 454042478 /nfs/dbraw/zinc/04/24/78/454042478.db2.gz SNCPUPGIHCOWCF-UHFFFAOYSA-N -1 0 342.298 3.100 20 30 EGEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1ccc(F)cc1OCC1CC1 ZINC000076937962 454050686 /nfs/dbraw/zinc/05/06/86/454050686.db2.gz JQVUHELFJSVVBN-UHFFFAOYSA-N -1 0 346.383 3.287 20 30 EGEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC000057125754 454104321 /nfs/dbraw/zinc/10/43/21/454104321.db2.gz UITHZTOTVIXACK-UHFFFAOYSA-N -1 0 330.409 3.375 20 30 EGEDRM CCSc1ccc(C([O-])=C(C#N)c2nnc3n2CCCCC3)cn1 ZINC000070034128 454165453 /nfs/dbraw/zinc/16/54/53/454165453.db2.gz CYBOBAABWIRUJA-ZDUSSCGKSA-N -1 0 341.440 3.002 20 30 EGEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3cnn(C)c3)n2)cc1 ZINC000058265416 454176070 /nfs/dbraw/zinc/17/60/70/454176070.db2.gz PWJRKFUWRYMRON-AWEZNQCLSA-N -1 0 338.392 3.042 20 30 EGEDRM CC(C)Oc1ccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1C#N ZINC000119297998 454184945 /nfs/dbraw/zinc/18/49/45/454184945.db2.gz UNMSAPZHTZIUKN-UHFFFAOYSA-N -1 0 341.323 3.212 20 30 EGEDRM C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CCC[C@H]1C(=O)[O-] ZINC000132881777 454374717 /nfs/dbraw/zinc/37/47/17/454374717.db2.gz MAMIAFSBXXPRFH-NWDGAFQWSA-N -1 0 327.833 3.417 20 30 EGEDRM CCCc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2OC)cc1 ZINC000064479119 454484902 /nfs/dbraw/zinc/48/49/02/454484902.db2.gz KZRRLTKTCAMHST-UHFFFAOYSA-N -1 0 330.409 3.320 20 30 EGEDRM N#Cc1cccc(S(=O)(=O)[N-]C(=O)C23CC4CC(CC(C4)C2)C3)c1 ZINC000048599764 454502063 /nfs/dbraw/zinc/50/20/63/454502063.db2.gz GTNNMGBMBZVRSM-UHFFFAOYSA-N -1 0 344.436 3.420 20 30 EGEDRM O=C([N-]c1nncs1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000049620269 454553670 /nfs/dbraw/zinc/55/36/70/454553670.db2.gz WWILPDKNGXTVCF-UHFFFAOYSA-N -1 0 348.262 3.024 20 30 EGEDRM Cc1cccc(C([O-])=C(C#N)c2nc3ccccc3n2C)c1[N+](=O)[O-] ZINC000122728454 454564063 /nfs/dbraw/zinc/56/40/63/454564063.db2.gz XGMKMIQNKJSUEN-CYBMUJFWSA-N -1 0 334.335 3.280 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)N(C)[C@@H](C)c2ccccc2F)cc1C#N ZINC000074379255 454572515 /nfs/dbraw/zinc/57/25/15/454572515.db2.gz QTKZDLBQLMACMH-JTQLQIEISA-N -1 0 345.399 3.353 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)NCc2cccc3ccccc32)cc1C#N ZINC000074377657 454572739 /nfs/dbraw/zinc/57/27/39/454572739.db2.gz HEPQGWZYJKVXPE-UHFFFAOYSA-N -1 0 349.415 3.464 20 30 EGEDRM N#CCSc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000092547467 454585166 /nfs/dbraw/zinc/58/51/66/454585166.db2.gz VUNZMWXADSXSGY-UHFFFAOYSA-N -1 0 329.337 3.168 20 30 EGEDRM C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(F)cc2[O-])cc1 ZINC000123337713 454627148 /nfs/dbraw/zinc/62/71/48/454627148.db2.gz ZUAJIUHBQZQWAT-UHFFFAOYSA-N -1 0 329.331 3.091 20 30 EGEDRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N(C)[C@H](C)CC#N)n2)cc1 ZINC000137001008 454764088 /nfs/dbraw/zinc/76/40/88/454764088.db2.gz UTHZKHOLHRDCKD-CYBMUJFWSA-N -1 0 326.400 3.075 20 30 EGEDRM CSc1ccc([N-]S(=O)(=O)c2ccc(C#N)nc2)cc1Cl ZINC000176733380 454777171 /nfs/dbraw/zinc/77/71/71/454777171.db2.gz DTEHCJFSWMSBRT-UHFFFAOYSA-N -1 0 339.829 3.129 20 30 EGEDRM C=CCN(C)C(=O)c1cccc(S(=O)(=O)Nc2cccc(C)c2)c1 ZINC000154196404 454872965 /nfs/dbraw/zinc/87/29/65/454872965.db2.gz HGQUWELZOVFWEA-UHFFFAOYSA-N -1 0 344.436 3.054 20 30 EGEDRM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1ccccc1 ZINC000154285510 454881568 /nfs/dbraw/zinc/88/15/68/454881568.db2.gz YIPABELKVARYEH-UHFFFAOYSA-N -1 0 326.299 3.378 20 30 EGEDRM C=C(C)CNC(=O)c1cc(Br)c([O-])c(Br)c1 ZINC000154406494 454893646 /nfs/dbraw/zinc/89/36/46/454893646.db2.gz OQTCWXZKWNGNAP-UHFFFAOYSA-N -1 0 349.022 3.223 20 30 EGEDRM Cc1cccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])c(C)cc2C)c1C#N ZINC000165159474 454895055 /nfs/dbraw/zinc/89/50/55/454895055.db2.gz RJBWNQIEDQDCKV-UHFFFAOYSA-N -1 0 345.380 3.193 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)nc2)cc1 ZINC000171013208 455014915 /nfs/dbraw/zinc/01/49/15/455014915.db2.gz QUUACAPFUZQYIC-UHFFFAOYSA-N -1 0 343.408 3.075 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C#N)c(Cl)c1 ZINC000181118182 455290626 /nfs/dbraw/zinc/29/06/26/455290626.db2.gz MCTJGFQENOVWBE-UHFFFAOYSA-N -1 0 335.747 3.023 20 30 EGEDRM Cc1c(C([O-])=C(C#N)c2cnc3ccccc3n2)cccc1[N+](=O)[O-] ZINC000190942119 455410986 /nfs/dbraw/zinc/41/09/86/455410986.db2.gz AHHMTOBKZGCGIB-CYBMUJFWSA-N -1 0 332.319 3.337 20 30 EGEDRM Cc1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)cc1[N+](=O)[O-] ZINC000190986725 455420105 /nfs/dbraw/zinc/42/01/05/455420105.db2.gz QQMVGCALHLTVMD-ZDUSSCGKSA-N -1 0 332.319 3.337 20 30 EGEDRM CC(=O)Nc1cc(C([O-])=C(C#N)c2cnc3ccccc3n2)ccc1F ZINC000190996206 455421883 /nfs/dbraw/zinc/42/18/83/455421883.db2.gz ZAQCIDPJRWADFG-CYBMUJFWSA-N -1 0 348.337 3.217 20 30 EGEDRM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)nc2)cc1C(F)(F)F ZINC000195440531 455961238 /nfs/dbraw/zinc/96/12/38/455961238.db2.gz AUGICHDMMQYIEO-UHFFFAOYSA-N -1 0 341.314 3.081 20 30 EGEDRM C=CCC[C@H](NC(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000263153850 456101475 /nfs/dbraw/zinc/10/14/75/456101475.db2.gz FPHJYTWRTGQJEW-PVAVHDDUSA-N -1 0 330.428 3.446 20 30 EGEDRM Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000188692660 456115393 /nfs/dbraw/zinc/11/53/93/456115393.db2.gz VXLVBGHHLBJVDW-UHFFFAOYSA-N -1 0 335.407 3.420 20 30 EGEDRM C=C[C@](C)(CCOC)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000188698487 456116882 /nfs/dbraw/zinc/11/68/82/456116882.db2.gz WZRIIIOPQHZZBZ-CQSZACIVSA-N -1 0 328.752 3.121 20 30 EGEDRM C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC(C(=O)[O-])CC1 ZINC000263497068 456157782 /nfs/dbraw/zinc/15/77/82/456157782.db2.gz RIIWQWMUBBOFEY-LBPRGKRZSA-N -1 0 347.440 3.409 20 30 EGEDRM C=CCC[C@@H](NC(=O)C(C)(C)c1ccc(Cl)cc1F)C(=O)[O-] ZINC000263527672 456158990 /nfs/dbraw/zinc/15/89/90/456158990.db2.gz KWCHMQGEEKDVBE-CYBMUJFWSA-N -1 0 327.783 3.292 20 30 EGEDRM C=CCC1(C(=O)NCc2ccc(OCCCC(=O)[O-])cc2)CCC1 ZINC000263541783 456162875 /nfs/dbraw/zinc/16/28/75/456162875.db2.gz RETJMJKRMMPDJR-UHFFFAOYSA-N -1 0 331.412 3.293 20 30 EGEDRM CC(C)(C)c1ccc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)cc1Cl ZINC000290096114 456239162 /nfs/dbraw/zinc/23/91/62/456239162.db2.gz IGPJGOLANWXRSW-UHFFFAOYSA-N -1 0 327.775 3.356 20 30 EGEDRM COC[C@@H](C)C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000237160247 456240492 /nfs/dbraw/zinc/24/04/92/456240492.db2.gz DZVHVKHZIIRAJX-CQSZACIVSA-N -1 0 337.375 3.006 20 30 EGEDRM CC(C)CN=c1[n-]nc(SCCCC2(C#N)CCOCC2)s1 ZINC000347689556 456308589 /nfs/dbraw/zinc/30/85/89/456308589.db2.gz VRWIVNGJJWWDNI-UHFFFAOYSA-N -1 0 340.518 3.221 20 30 EGEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3c[nH]nc3C)n2)cc1 ZINC000347748846 456347038 /nfs/dbraw/zinc/34/70/38/456347038.db2.gz HMRDJSWPWSPUSW-CYBMUJFWSA-N -1 0 338.392 3.340 20 30 EGEDRM Cc1c(C(=O)/C=C/c2cc([O-])ccc2[N+](=O)[O-])cnn1C(C)(C)C ZINC000276388466 456465477 /nfs/dbraw/zinc/46/54/77/456465477.db2.gz RRLCWEODLSQWGI-VMPITWQZSA-N -1 0 329.356 3.456 20 30 EGEDRM Cc1n[nH]c(C)c1/C=C/C(=O)c1ccc(OCCCC(=O)[O-])cc1 ZINC000298637470 456506319 /nfs/dbraw/zinc/50/63/19/456506319.db2.gz JIPSPKRYEJIWKU-MDZDMXLPSA-N -1 0 328.368 3.166 20 30 EGEDRM CC[C@H](c1n[n-]c(=NC(=O)N(C)C[C@H](C)C#N)s1)c1ccccc1 ZINC000340763937 456674140 /nfs/dbraw/zinc/67/41/40/456674140.db2.gz QXNDYVCSAAQVKY-OCCSQVGLSA-N -1 0 343.456 3.125 20 30 EGEDRM Cc1cc(C(C#N)=C([O-])c2cc3cc([N+](=O)[O-])ccc3o2)nc(C)n1 ZINC000338320063 456768978 /nfs/dbraw/zinc/76/89/78/456768978.db2.gz CDZMWKUTWDINDJ-ZDUSSCGKSA-N -1 0 336.307 3.238 20 30 EGEDRM C=C(C[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F)c1ccccc1 ZINC000344911175 456870640 /nfs/dbraw/zinc/87/06/40/456870640.db2.gz NDXKEUVPICRPHY-UHFFFAOYSA-N -1 0 345.317 3.235 20 30 EGEDRM CC(C)(C)c1[n-]n(CCN2CCc3ccccc32)c(=O)c1CCC#N ZINC000292169090 456875129 /nfs/dbraw/zinc/87/51/29/456875129.db2.gz XAUYAKOZQJREGI-UHFFFAOYSA-N -1 0 338.455 3.405 20 30 EGEDRM Cc1ncc(S(=O)(=O)[N-]c2ccccc2SCCC#N)s1 ZINC000339071660 456926669 /nfs/dbraw/zinc/92/66/69/456926669.db2.gz KDGOXSUHWUNGAV-UHFFFAOYSA-N -1 0 339.467 3.258 20 30 EGEDRM Cc1ncoc1C([O-])=C(C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000349291359 456933500 /nfs/dbraw/zinc/93/35/00/456933500.db2.gz ZBUSLOBLNJHMAK-CYBMUJFWSA-N -1 0 334.360 3.468 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2SC[C@@H](C)C#N)cn1 ZINC000349967082 457125569 /nfs/dbraw/zinc/12/55/69/457125569.db2.gz RUBMVBJHQZKBPN-LBPRGKRZSA-N -1 0 347.465 3.443 20 30 EGEDRM Cc1nn(-c2ccc(Cl)cc2)cc1C([O-])=C(C#N)c1ccncn1 ZINC000354468766 457242885 /nfs/dbraw/zinc/24/28/85/457242885.db2.gz PMTQUZFPWCUXRE-CQSZACIVSA-N -1 0 337.770 3.114 20 30 EGEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)CCc1cccs1 ZINC000357106976 457325990 /nfs/dbraw/zinc/32/59/90/457325990.db2.gz RGJWKGLKRRMMJB-UHFFFAOYSA-N -1 0 336.438 3.003 20 30 EGEDRM CCOC(=O)c1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)cc1 ZINC000355108826 457343148 /nfs/dbraw/zinc/34/31/48/457343148.db2.gz SYZXPGABQLHWTB-AWEZNQCLSA-N -1 0 334.331 3.495 20 30 EGEDRM N#Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)CCC2 ZINC000357365243 457474449 /nfs/dbraw/zinc/47/44/49/457474449.db2.gz CGPCEDFSJDEMBV-UHFFFAOYSA-N -1 0 344.367 3.017 20 30 EGEDRM Cc1ccccc1S(=O)(=O)[N-]c1cc(C)c(N(C)C)cc1C#N ZINC000357461018 457543884 /nfs/dbraw/zinc/54/38/84/457543884.db2.gz RXGKTNQVPXQAMI-UHFFFAOYSA-N -1 0 329.425 3.042 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2cc(C)c(N(C)C)cc2C#N)c(F)c1 ZINC000357464501 457545576 /nfs/dbraw/zinc/54/55/76/457545576.db2.gz GWANNPCBNSHKGM-UHFFFAOYSA-N -1 0 347.415 3.181 20 30 EGEDRM N#CC(=C([O-])c1cccnc1OCc1ccccc1F)c1ccncn1 ZINC000361333384 457696486 /nfs/dbraw/zinc/69/64/86/457696486.db2.gz BZOVRWRIOVDXDL-OAHLLOKOSA-N -1 0 348.337 3.080 20 30 EGEDRM C=CCCS(=O)(=O)[N-][C@H](c1c[nH]c2ccccc21)C(F)(F)F ZINC000443445928 457766876 /nfs/dbraw/zinc/76/68/76/457766876.db2.gz NSDCEXMKMGXLPD-CYBMUJFWSA-N -1 0 332.347 3.267 20 30 EGEDRM Cc1nc2cc([N-]S(=O)(=O)c3ccc(C#N)cc3Cl)ccc2[nH]1 ZINC000358169092 457831107 /nfs/dbraw/zinc/83/11/07/457831107.db2.gz QNRJWMKVSWGJEB-UHFFFAOYSA-N -1 0 346.799 3.197 20 30 EGEDRM N#Cc1cccc([C@H]2CN(Cc3cccc(Cl)c3[O-])CCO2)c1 ZINC000371416698 457920361 /nfs/dbraw/zinc/92/03/61/457920361.db2.gz HSXNBGXVIXKWSI-QGZVFWFLSA-N -1 0 328.799 3.491 20 30 EGEDRM Cc1cccc2[nH]c([C@H](C#N)C(=O)c3ccc(OC(F)F)cn3)nc21 ZINC000358374478 457962834 /nfs/dbraw/zinc/96/28/34/457962834.db2.gz WBMASAFTMCEIDR-LLVKDONJSA-N -1 0 342.305 3.358 20 30 EGEDRM COC(=O)c1ccc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)cc1 ZINC000362140589 458034004 /nfs/dbraw/zinc/03/40/04/458034004.db2.gz UIPCWFKKBLXCOT-ZDUSSCGKSA-N -1 0 348.280 3.377 20 30 EGEDRM C=CCN=c1[n-]nc(S[C@@H](C)c2noc(-c3ccccc3)n2)s1 ZINC000446068640 458138425 /nfs/dbraw/zinc/13/84/25/458138425.db2.gz RWOYIBPYXSMDIE-JTQLQIEISA-N -1 0 345.453 3.461 20 30 EGEDRM CCn1cc(C([O-])=C(C#N)c2nc(C)cs2)c(C(F)(F)F)n1 ZINC000435775958 458202225 /nfs/dbraw/zinc/20/22/25/458202225.db2.gz GWEVBXNFHJCPKA-QMMMGPOBSA-N -1 0 328.319 3.177 20 30 EGEDRM CCCCn1ncc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)c1C ZINC000435804575 458207762 /nfs/dbraw/zinc/20/77/62/458207762.db2.gz SGRYFYQLJLLMME-ZDUSSCGKSA-N -1 0 336.399 3.061 20 30 EGEDRM C=CCN=c1[n-]nc(SCc2nc(-c3ccccc3F)no2)s1 ZINC000436057115 458244111 /nfs/dbraw/zinc/24/41/11/458244111.db2.gz UWAHBVQIFAZJHN-UHFFFAOYSA-N -1 0 349.416 3.039 20 30 EGEDRM C[C@@H](CN(Cc1ccccc1)C(=O)c1cccc(CC#N)c1)C(=O)[O-] ZINC000362537920 458254044 /nfs/dbraw/zinc/25/40/44/458254044.db2.gz ORBUOMKUFLOMNW-HNNXBMFYSA-N -1 0 336.391 3.116 20 30 EGEDRM C=C[C@H]1CCCCN1S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1C ZINC000447157705 458268775 /nfs/dbraw/zinc/26/87/75/458268775.db2.gz OIGKBMRSTLJIHT-LBPRGKRZSA-N -1 0 343.832 3.076 20 30 EGEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1cc(F)ccc1SCC(F)F ZINC000416967265 458357985 /nfs/dbraw/zinc/35/79/85/458357985.db2.gz ZJUHGHALSKBSHK-SECBINFHSA-N -1 0 338.376 3.227 20 30 EGEDRM C=CCCCS(=O)(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000451041656 458463868 /nfs/dbraw/zinc/46/38/68/458463868.db2.gz OELLUXKVAYZRQV-UHFFFAOYSA-N -1 0 345.262 3.429 20 30 EGEDRM N#CCC1(CS(=O)(=O)[N-][C@@H](C2CCCCC2)C(F)(F)F)CC1 ZINC000451389025 458475930 /nfs/dbraw/zinc/47/59/30/458475930.db2.gz OSIBAXUEWOVAMU-LBPRGKRZSA-N -1 0 338.395 3.111 20 30 EGEDRM C[C@H](Oc1cccc(/C=C2\COc3c(F)cccc3C2=O)c1)C(=O)[O-] ZINC000377361180 458497754 /nfs/dbraw/zinc/49/77/54/458497754.db2.gz CZOOKWBOHNURCX-ZWSXMNCCSA-N -1 0 342.322 3.336 20 30 EGEDRM C=CCN(CCc1ccccc1)C(=O)NCC(CC)(CC)C(=O)[O-] ZINC000424407472 458635698 /nfs/dbraw/zinc/63/56/98/458635698.db2.gz BYDLDZNGVMMSJQ-UHFFFAOYSA-N -1 0 332.444 3.318 20 30 EGEDRM CSc1c(F)cccc1C(=O)N=c1[n-]n(C(C)(C)C)cc1C#N ZINC000439082166 458650455 /nfs/dbraw/zinc/65/04/55/458650455.db2.gz BHSBIFHRCCICHX-UHFFFAOYSA-N -1 0 332.404 3.045 20 30 EGEDRM COCc1ccc([N-]S(=O)(=O)c2sc(C)cc2C)cc1C#N ZINC000530145342 458695909 /nfs/dbraw/zinc/69/59/09/458695909.db2.gz KCHYREWGGXVXIG-UHFFFAOYSA-N -1 0 336.438 3.184 20 30 EGEDRM CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2cccc3c2OCO3)cc1 ZINC000509090354 458770646 /nfs/dbraw/zinc/77/06/46/458770646.db2.gz RTNYUNFTDGTJFV-UHFFFAOYSA-N -1 0 344.392 3.017 20 30 EGEDRM Cc1cc2ncc(C([O-])=C(C#N)c3nc(C(C)C)cs3)c(C)n2n1 ZINC000531330778 458901532 /nfs/dbraw/zinc/90/15/32/458901532.db2.gz CYYOAHJEGXVOQW-GFCCVEGCSA-N -1 0 339.424 3.416 20 30 EGEDRM Cc1cccc2[nH]c(C(C#N)=C([O-])c3noc4c3C[C@@H](C)CC4)nc21 ZINC000518957976 458902176 /nfs/dbraw/zinc/90/21/76/458902176.db2.gz KIUILELLTJBUPO-GXFFZTMASA-N -1 0 334.379 3.474 20 30 EGEDRM C=CCOc1cc(OC)ccc1C(=O)Nc1cc(C(C)=O)ccc1[O-] ZINC000468340925 459015024 /nfs/dbraw/zinc/01/50/24/459015024.db2.gz YIOCWOHRKPXMSJ-UHFFFAOYSA-N -1 0 341.363 3.421 20 30 EGEDRM CC(C)(C)NC(=O)c1ccc(NC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000442648325 459019723 /nfs/dbraw/zinc/01/97/23/459019723.db2.gz MONURJPKPAPDES-UHFFFAOYSA-N -1 0 337.379 3.044 20 30 EGEDRM CCc1n[n-]c(=NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)s1 ZINC000520170245 459035475 /nfs/dbraw/zinc/03/54/75/459035475.db2.gz IDISITQEJCSGRP-UHFFFAOYSA-N -1 0 343.456 3.084 20 30 EGEDRM CC(C)CCOc1ccccc1[N-]S(=O)(=O)c1cncc(C#N)c1 ZINC000594466400 459054683 /nfs/dbraw/zinc/05/46/83/459054683.db2.gz OYABFNSTUANDDJ-UHFFFAOYSA-N -1 0 345.424 3.179 20 30 EGEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1ccnc(Oc2ccccc2)c1 ZINC000520873557 459102908 /nfs/dbraw/zinc/10/29/08/459102908.db2.gz UFQRKUNQUBHKSI-UHFFFAOYSA-N -1 0 345.362 3.020 20 30 EGEDRM Cc1nsc(N2CCC(c3ccccc3C(=O)[O-])CC2)c1C#N ZINC000591327245 459355567 /nfs/dbraw/zinc/35/55/67/459355567.db2.gz ZLHQTUYBHZHFTF-UHFFFAOYSA-N -1 0 327.409 3.405 20 30 EGEDRM CC(C)(C)Oc1ccc(NC(=O)NCCCCC(=O)[O-])cc1C#N ZINC000591353482 459360852 /nfs/dbraw/zinc/36/08/52/459360852.db2.gz VPXZYOJREWZJKD-UHFFFAOYSA-N -1 0 333.388 3.112 20 30 EGEDRM C=CC[C@@H](CC)NC(=O)N[C@H](C(=O)[O-])c1ccc(OC)c(Cl)c1 ZINC000583188501 459497514 /nfs/dbraw/zinc/49/75/14/459497514.db2.gz MTAYPZMAMQDEPF-RISCZKNCSA-N -1 0 340.807 3.128 20 30 EGEDRM C=CCC[C@@H](NC(=O)N[C@@H](C)c1ccc(OC(C)C)cc1)C(=O)[O-] ZINC000572362729 459579277 /nfs/dbraw/zinc/57/92/77/459579277.db2.gz FPBHLRRVXBKRLG-XJKSGUPXSA-N -1 0 334.416 3.253 20 30 EGEDRM C#C[C@H](NC(=O)c1c(F)c(F)cc(F)c1F)c1ccc(F)cc1 ZINC000491241376 459608057 /nfs/dbraw/zinc/60/80/57/459608057.db2.gz IWBWDOWWJYVCLP-LBPRGKRZSA-N -1 0 325.236 3.486 20 30 EGEDRM C=CCC[C@H](NC(=O)N[C@@H](C)c1c(F)cccc1Cl)C(=O)[O-] ZINC000562647396 459611570 /nfs/dbraw/zinc/61/15/70/459611570.db2.gz DKPWDBCQYOWNFP-CABZTGNLSA-N -1 0 328.771 3.259 20 30 EGEDRM C#C[C@@H](NC(=O)c1cccc([O-])c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000491553990 459637241 /nfs/dbraw/zinc/63/72/41/459637241.db2.gz FMNAXGUBAGWWCF-CYBMUJFWSA-N -1 0 330.727 3.058 20 30 EGEDRM C#C[C@@H](NC(=O)c1cc([O-])ccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000491699769 459656558 /nfs/dbraw/zinc/65/65/58/459656558.db2.gz UYZLSFRVEJGOMC-CQSZACIVSA-N -1 0 330.727 3.058 20 30 EGEDRM C=CCC[C@@H](NC(=O)N[C@H](CC)c1ccc(F)cc1F)C(=O)[O-] ZINC000562974509 459684695 /nfs/dbraw/zinc/68/46/95/459684695.db2.gz LQAZWCHDDFYHGP-ZIAGYGMSSA-N -1 0 326.343 3.135 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2csc(-c3ccccc3)n2)cc1 ZINC000586750266 459862787 /nfs/dbraw/zinc/86/27/87/459862787.db2.gz ZMVKXZHRJFAWJJ-UHFFFAOYSA-N -1 0 341.417 3.483 20 30 EGEDRM C=CCn1c(-c2cc3ccccc3o2)n[n-]c1=Nc1c(C)n[nH]c1C ZINC000574817219 459876900 /nfs/dbraw/zinc/87/69/00/459876900.db2.gz CFCFXQLZUZOQJI-UHFFFAOYSA-N -1 0 334.383 3.383 20 30 EGEDRM N#CCc1ccc(C(=O)N2C[C@@H](C3CCCCC3)C[C@H]2C(=O)[O-])cc1 ZINC000598660549 459982554 /nfs/dbraw/zinc/98/25/54/459982554.db2.gz ASGSTJKHQFGKOZ-ROUUACIJSA-N -1 0 340.423 3.248 20 30 EGEDRM Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)c3cc(O)cc(C#N)c3)nc2c1 ZINC000614369198 460117785 /nfs/dbraw/zinc/11/77/85/460117785.db2.gz HBOVHJOXGIHEGL-SFHVURJKSA-N -1 0 346.390 3.426 20 30 EGEDRM C[C@@H](NC(=O)N=c1[n-]nc(C(C)(C)C)s1)c1cccc(C#N)c1 ZINC000610322433 460119984 /nfs/dbraw/zinc/11/99/84/460119984.db2.gz OHIUUTNAIXCLOS-SNVBAGLBSA-N -1 0 329.429 3.012 20 30 EGEDRM N#Cc1ccc(COc2ccc(-c3n[n-]c(=N)o3)cc2)c(Cl)c1 ZINC000589655124 460124890 /nfs/dbraw/zinc/12/48/90/460124890.db2.gz QYNRCSRGABRVOG-UHFFFAOYSA-N -1 0 326.743 3.253 20 30 EGEDRM C[C@H]([NH2+]CCCC#N)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000599045454 460138430 /nfs/dbraw/zinc/13/84/30/460138430.db2.gz QVNICNQCINMFRO-HNNXBMFYSA-N -1 0 343.452 3.442 20 30 EGEDRM Cc1cccc([C@H]2CCCCCN2C(=O)N=c2[n-]n(C)cc2C#N)c1 ZINC000610561951 460184383 /nfs/dbraw/zinc/18/43/83/460184383.db2.gz GNYXEDLCONVVKY-QGZVFWFLSA-N -1 0 337.427 3.171 20 30 EGEDRM C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)N=c1[n-]n(C)cc1C#N ZINC000610564540 460184686 /nfs/dbraw/zinc/18/46/86/460184686.db2.gz IQVQBWNTQLKGDI-VXGBXAGGSA-N -1 0 345.834 3.023 20 30 EGEDRM N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000618893045 460211332 /nfs/dbraw/zinc/21/13/32/460211332.db2.gz VMYQYWNLZYTDQG-ZDUSSCGKSA-N -1 0 332.281 3.098 20 30 EGEDRM Cn1cc(C#N)c(=NC(=O)N2CCC[C@@H]2CCC2CCCCC2)[n-]1 ZINC000610876711 460254508 /nfs/dbraw/zinc/25/45/08/460254508.db2.gz TVCYVOXWVYGPRJ-MRXNPFEDSA-N -1 0 329.448 3.070 20 30 EGEDRM CCn1cc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)c(C)n1 ZINC000626332690 460483516 /nfs/dbraw/zinc/48/35/16/460483516.db2.gz AKULHFBNQASDOJ-NSHDSACASA-N -1 0 328.372 3.450 20 30 EGEDRM C=CCN(Cc1ccc(Cl)s1)Cc1cc(C(=O)[O-])nn1C ZINC000635300834 460739517 /nfs/dbraw/zinc/73/95/17/460739517.db2.gz ZTKCJYVMIGOSKL-UHFFFAOYSA-N -1 0 325.821 3.021 20 30 EGEDRM COc1ccc(Br)c(-n2[n-]c(C)c(CCC#N)c2=O)c1 ZINC000601946459 460956167 /nfs/dbraw/zinc/95/61/67/460956167.db2.gz ZEHRYBYVBJWLEV-NSHDSACASA-N -1 0 336.189 3.100 20 30 EGEDRM C[C@H]1c2c(C#N)c(NC(=O)CSCC(=O)[O-])sc2CC[C@@H]1C ZINC000601989203 460974090 /nfs/dbraw/zinc/97/40/90/460974090.db2.gz FPKGUJQKEAISNW-DTWKUNHWSA-N -1 0 338.454 3.062 20 30 EGEDRM C=CCC1(C(=O)Nc2ccc3c(c2)[nH]cc3C(=O)[O-])CCOCC1 ZINC000630236681 461068878 /nfs/dbraw/zinc/06/88/78/461068878.db2.gz UYZBNAPGKAJZCZ-UHFFFAOYSA-N -1 0 328.368 3.178 20 30 EGEDRM C=C(C)C[C@@H](C)C(=O)N[C@@H](C(=O)[O-])c1ccccc1Br ZINC000659191108 461213074 /nfs/dbraw/zinc/21/30/74/461213074.db2.gz PLKJDAMWQXJKGF-ZWNOBZJWSA-N -1 0 340.217 3.293 20 30 EGEDRM C=CC[C@@H]1N(C(=O)c2cccc(OCC(=O)[O-])c2)CCCC1(C)C ZINC000668321762 461244286 /nfs/dbraw/zinc/24/42/86/461244286.db2.gz YZBFQYUTJGNXNG-INIZCTEOSA-N -1 0 331.412 3.357 20 30 EGEDRM CSc1cc(C)c(C([O-])=C(C#N)c2nnc3n2CCCCC3)o1 ZINC000663360936 461589355 /nfs/dbraw/zinc/58/93/55/461589355.db2.gz RWQIECYFTHYHBA-LLVKDONJSA-N -1 0 330.413 3.118 20 30 EGEDRM N#CC(=C([O-])c1ccn(C(F)F)n1)c1cc(C(F)(F)F)ccn1 ZINC000643778754 461803287 /nfs/dbraw/zinc/80/32/87/461803287.db2.gz GBIFJPZJXNAPHQ-QMMMGPOBSA-N -1 0 330.216 3.182 20 30 EGEDRM CCCc1ccc(S(=O)(=O)[N-]C(=O)CC[C@H]2CCCO2)cc1 ZINC000048563353 521405060 /nfs/dbraw/zinc/40/50/60/521405060.db2.gz NXGQRMIIMDOUHX-CQSZACIVSA-N -1 0 325.430 3.244 20 30 EGEDRM C=CCC(CC=C)C(=O)N[C@H](C(=O)[O-])c1ccc(OC)c(Cl)c1 ZINC000263196942 534568808 /nfs/dbraw/zinc/56/88/08/534568808.db2.gz YGVALUHXUJHULW-HNNXBMFYSA-N -1 0 337.803 3.359 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1csc(C(C)(C)C)n1 ZINC000726733263 574568591 /nfs/dbraw/zinc/56/85/91/574568591.db2.gz TYDXHSPUOLCBAJ-GFCCVEGCSA-N -1 0 335.473 3.460 20 30 EGEDRM Cc1nc(CC(C)C)sc1C([O-])=C(C#N)C(=O)NC1CCCCC1 ZINC000727954230 574706174 /nfs/dbraw/zinc/70/61/74/574706174.db2.gz XJRQBHIJBKIBEZ-CQSZACIVSA-N -1 0 347.484 3.421 20 30 EGEDRM Cn1c(Cl)nc(Cl)c1/C=C\C(=O)c1ccc(CC(=O)[O-])cc1 ZINC000728440935 574749320 /nfs/dbraw/zinc/74/93/20/574749320.db2.gz YJSVRVSMALHXFF-SREVYHEPSA-N -1 0 339.178 3.250 20 30 EGEDRM COc1ccc(C(=O)/C=C/c2cccnc2Cl)cc1CC(=O)[O-] ZINC000728700080 574767432 /nfs/dbraw/zinc/76/74/32/574767432.db2.gz LYFPOTARRMFFQP-GQCTYLIASA-N -1 0 331.755 3.267 20 30 EGEDRM C[C@@H](Oc1cccc(/C=C2/COc3ccc(F)cc3C2=O)c1)C(=O)[O-] ZINC000731564855 575080820 /nfs/dbraw/zinc/08/08/20/575080820.db2.gz AYHANSZUWIKPLK-NUBYWOLOSA-N -1 0 342.322 3.336 20 30 EGEDRM O=C([O-])COc1cccc(/C=C\C(=O)c2ccc(-n3cccn3)cc2)c1 ZINC000733206907 575320566 /nfs/dbraw/zinc/32/05/66/575320566.db2.gz SCNJLQIDHWDNSE-YHYXMXQVSA-N -1 0 348.358 3.232 20 30 EGEDRM COc1ccc(C=NNc2ccccc2C(=O)[O-])c(OC(F)F)c1 ZINC000734093222 575439019 /nfs/dbraw/zinc/43/90/19/575439019.db2.gz VXRVKKKKUPBXSG-UHFFFAOYSA-N -1 0 336.294 3.441 20 30 EGEDRM CCCCCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000735204444 575621178 /nfs/dbraw/zinc/62/11/78/575621178.db2.gz WETVBSFBXZZZEB-HNNXBMFYSA-N -1 0 336.457 3.360 20 30 EGEDRM C#CCOc1cc(F)ccc1NC(=O)c1cccc(NC(=O)[O-])c1 ZINC000736076820 575896110 /nfs/dbraw/zinc/89/61/10/575896110.db2.gz VHZQGWKKPGALDB-UHFFFAOYSA-N -1 0 328.299 3.180 20 30 EGEDRM C=CCOc1ccc(C(=O)N(c2ncc(C(=O)[O-])s2)C2CC2)cc1 ZINC000736109390 575896975 /nfs/dbraw/zinc/89/69/75/575896975.db2.gz LASYVWBGDVWOHP-UHFFFAOYSA-N -1 0 344.392 3.215 20 30 EGEDRM C#CCOc1ccccc1CNC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000736087344 575897673 /nfs/dbraw/zinc/89/76/73/575897673.db2.gz GKWSCJRTASHTHK-UHFFFAOYSA-N -1 0 339.351 3.110 20 30 EGEDRM C#CCOc1ccc([C@@H](C)OC(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC000736090260 575897971 /nfs/dbraw/zinc/89/79/71/575897971.db2.gz XWTKGCNEDAGPAY-LLVKDONJSA-N -1 0 330.361 3.376 20 30 EGEDRM C=CCOc1ccc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000736114497 575900735 /nfs/dbraw/zinc/90/07/35/575900735.db2.gz UIEFGOTYBJGWSL-UHFFFAOYSA-N -1 0 342.307 3.110 20 30 EGEDRM CC(N=Nc1cc(F)c(F)cc1F)c1ccc(OCC(=O)[O-])cc1 ZINC000736125893 575902915 /nfs/dbraw/zinc/90/29/15/575902915.db2.gz MNGCMTGPOBPLRF-UHFFFAOYSA-N -1 0 338.285 3.403 20 30 EGEDRM C[C@](C#N)(CCc1ccccc1)NC(=O)c1cccc(NC(=O)[O-])c1 ZINC000736203665 575914898 /nfs/dbraw/zinc/91/48/98/575914898.db2.gz VMZIJGRYQNUMTF-LJQANCHMSA-N -1 0 337.379 3.421 20 30 EGEDRM C[C@H](CSCC(=O)C=C1N(C)c2ccccc2C1(C)C)C(=O)[O-] ZINC000736619462 575990733 /nfs/dbraw/zinc/99/07/33/575990733.db2.gz UIHYFOVDVMLYMW-DZZSIBQASA-N -1 0 333.453 3.321 20 30 EGEDRM C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000736708887 576010787 /nfs/dbraw/zinc/01/07/87/576010787.db2.gz YDRXNGCFIMXISL-JTQLQIEISA-N -1 0 343.314 3.193 20 30 EGEDRM CC[C@H](C(=O)[O-])N(C(=O)/C=C\c1ccccc1C#N)c1ccccc1 ZINC000736848641 576047387 /nfs/dbraw/zinc/04/73/87/576047387.db2.gz NYGKBUPSIXMPPU-MENFKHAKSA-N -1 0 334.375 3.468 20 30 EGEDRM CC[C@@H](C(=O)[O-])N(C(=O)CCc1ccc(C#N)cc1)c1ccccc1 ZINC000736850346 576047987 /nfs/dbraw/zinc/04/79/87/576047987.db2.gz VUYKTZHBURGCBJ-SFHVURJKSA-N -1 0 336.391 3.387 20 30 EGEDRM CCCNc1ccc(C#N)cc1NC(=O)c1ccc(C(=O)[O-])s1 ZINC000737029223 576084275 /nfs/dbraw/zinc/08/42/75/576084275.db2.gz DBXXUCNYYODVSN-UHFFFAOYSA-N -1 0 329.381 3.392 20 30 EGEDRM CCOc1ccc(C=NOCc2ccc(F)cc2C(=O)[O-])cc1OC ZINC000737198689 576134880 /nfs/dbraw/zinc/13/48/80/576134880.db2.gz FGUUYGZKUSUKSP-UHFFFAOYSA-N -1 0 347.342 3.482 20 30 EGEDRM CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000737451980 576231047 /nfs/dbraw/zinc/23/10/47/576231047.db2.gz SQTKIPNHWSHGPY-UHFFFAOYSA-N -1 0 342.330 3.451 20 30 EGEDRM N#Cc1ccc(NC(=S)NCc2ccc(C(=O)[O-])cc2)cc1Cl ZINC000738430869 576325232 /nfs/dbraw/zinc/32/52/32/576325232.db2.gz KPSUFHZSGSBVPD-UHFFFAOYSA-N -1 0 345.811 3.396 20 30 EGEDRM Cc1ccc(C(=O)[O-])cc1NC(=O)CSc1ccc(C#N)cc1F ZINC000738528139 576335036 /nfs/dbraw/zinc/33/50/36/576335036.db2.gz KFMUPLMYHHOGSE-UHFFFAOYSA-N -1 0 344.367 3.435 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@@H](C)c2ccsc2)n1 ZINC000738827950 576363380 /nfs/dbraw/zinc/36/33/80/576363380.db2.gz SMWPKAASNVPUQR-CMPLNLGQSA-N -1 0 334.422 3.036 20 30 EGEDRM N#CC(C(=O)CCCNC(=O)[O-])c1nc2cc(Cl)ccc2s1 ZINC000739074904 576376858 /nfs/dbraw/zinc/37/68/58/576376858.db2.gz NGAIADOIVGCSOQ-VIFPVBQESA-N -1 0 337.788 3.174 20 30 EGEDRM N#CCOc1ccc(COC(=O)c2cccc(NC(=O)[O-])c2)cc1 ZINC000739089213 576377465 /nfs/dbraw/zinc/37/74/65/576377465.db2.gz ZIEVZDOINZAIGW-UHFFFAOYSA-N -1 0 326.308 3.036 20 30 EGEDRM N#CCc1ccc(NC(=O)CNc2ccc(F)c(NC(=O)[O-])c2)cc1 ZINC000739091841 576377466 /nfs/dbraw/zinc/37/74/66/576377466.db2.gz NQFYUYNORJGLQT-UHFFFAOYSA-N -1 0 342.330 3.032 20 30 EGEDRM N#Cc1ccc([C@@H](OC(=O)C(F)(F)c2ccccc2)C(=O)[O-])cc1 ZINC000739110972 576378438 /nfs/dbraw/zinc/37/84/38/576378438.db2.gz TVLABBUSSSNVCC-CQSZACIVSA-N -1 0 331.274 3.019 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)CCCc2cccs2)C(=O)[O-])cc1 ZINC000739112273 576378527 /nfs/dbraw/zinc/37/85/27/576378527.db2.gz YPUYIXPSJHECMY-INIZCTEOSA-N -1 0 329.377 3.312 20 30 EGEDRM N#Cc1ccc([C@@H](OC(=O)c2cc3cc(F)ccc3o2)C(=O)[O-])cc1 ZINC000739115887 576378665 /nfs/dbraw/zinc/37/86/65/576378665.db2.gz WDGCJQAYGRIEQS-MRXNPFEDSA-N -1 0 339.278 3.426 20 30 EGEDRM N#Cc1ccc([C@@H](OC(=O)CSc2ccccc2)C(=O)[O-])cc1 ZINC000739115224 576378723 /nfs/dbraw/zinc/37/87/23/576378723.db2.gz OTBQIQNZIAIBSD-MRXNPFEDSA-N -1 0 327.361 3.019 20 30 EGEDRM N#Cc1ccc(CN(C(=O)Nc2ccc(CC(=O)[O-])cc2)C2CC2)cc1 ZINC000739116469 576378808 /nfs/dbraw/zinc/37/88/08/576378808.db2.gz ABZGRPFCJNWFNA-UHFFFAOYSA-N -1 0 349.390 3.382 20 30 EGEDRM N#Cc1ccc([C@@H](OC(=O)Cc2cc3ccccc3o2)C(=O)[O-])cc1 ZINC000739115913 576378816 /nfs/dbraw/zinc/37/88/16/576378816.db2.gz WFQWIONGUKQKPA-GOSISDBHSA-N -1 0 335.315 3.216 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)c2cc(Cl)ccc2F)C(=O)[O-])cc1 ZINC000739116001 576378857 /nfs/dbraw/zinc/37/88/57/576378857.db2.gz WZNAUYWWRXTEQA-AWEZNQCLSA-N -1 0 333.702 3.333 20 30 EGEDRM N#Cc1cccc(OCCCCC(=O)Oc2cccc(C(=O)[O-])c2)c1 ZINC000739139400 576379518 /nfs/dbraw/zinc/37/95/18/576379518.db2.gz GJQXRKYSDCGOPB-UHFFFAOYSA-N -1 0 339.347 3.411 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])c(C=NNc2cccc(C(F)(F)F)n2)c1 ZINC000739425183 576410227 /nfs/dbraw/zinc/41/02/27/576410227.db2.gz CELZMNZXUSNVKW-UHFFFAOYSA-N -1 0 326.234 3.160 20 30 EGEDRM O=C([O-])c1ccccc1COc1cccc(C=NNCC(F)F)c1 ZINC000740617614 576607279 /nfs/dbraw/zinc/60/72/79/576607279.db2.gz CAZQPUDSUUOMMK-UHFFFAOYSA-N -1 0 334.322 3.152 20 30 EGEDRM COCc1cccc(/C=C\C(=O)c2ccc(OC)c(CC(=O)[O-])c2)c1 ZINC000742431267 576783870 /nfs/dbraw/zinc/78/38/70/576783870.db2.gz GBSZQZGQBBQJRP-VURMDHGXSA-N -1 0 340.375 3.365 20 30 EGEDRM C[C@@H](Oc1cccc(C(=O)/C=C\c2cccc3c2OCO3)c1)C(=O)[O-] ZINC000745020284 576838620 /nfs/dbraw/zinc/83/86/20/576838620.db2.gz CXRDWUKNOMYDRH-JLVNDZCYSA-N -1 0 340.331 3.163 20 30 EGEDRM COc1ccc(/C=C\C(=O)c2cccc(O[C@H](C)C(=O)[O-])c2)cc1O ZINC000745020034 576838625 /nfs/dbraw/zinc/83/86/25/576838625.db2.gz ACAOUEFEGGGZDU-XYLWRLHESA-N -1 0 342.347 3.149 20 30 EGEDRM Cc1nn(C)c(Cl)c1/C=C/C(=O)c1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000745020647 576838689 /nfs/dbraw/zinc/83/86/89/576838689.db2.gz GEHXOEUJCQSFLR-WSKFYRRCSA-N -1 0 348.786 3.130 20 30 EGEDRM CC(C)[C@H](NC(=O)Nc1ccccc1S[C@@H](C)CC#N)C(=O)[O-] ZINC000817998691 597028351 /nfs/dbraw/zinc/02/83/51/597028351.db2.gz QKFBPMREROZJPI-FZMZJTMJSA-N -1 0 335.429 3.312 20 30 EGEDRM CC(C)[C@@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)C(=O)[O-] ZINC000817998687 597205886 /nfs/dbraw/zinc/20/58/86/597205886.db2.gz QKFBPMREROZJPI-BXUZGUMPSA-N -1 0 335.429 3.312 20 30 EGEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000819874654 598206715 /nfs/dbraw/zinc/20/67/15/598206715.db2.gz OBPNXICWVJMVTE-WCQYABFASA-N -1 0 333.413 3.019 20 30 EGEDRM C[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])c1cc(F)c(Cl)cc1Cl ZINC000820113512 598222350 /nfs/dbraw/zinc/22/23/50/598222350.db2.gz AVZBQXUIMCSRHU-WJWGPLDTSA-N -1 0 347.173 3.314 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1cc(Br)ccc1Cl ZINC000819847805 598226519 /nfs/dbraw/zinc/22/65/19/598226519.db2.gz OUWQHJCKBBHXRF-LBPRGKRZSA-N -1 0 345.580 3.046 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000819834428 598227512 /nfs/dbraw/zinc/22/75/12/598227512.db2.gz NDDWBVSPVKVIDV-NHYWBVRUSA-N -1 0 341.194 3.101 20 30 EGEDRM Cc1c(COC(C)(C)C)cccc1NC(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000820945068 598229701 /nfs/dbraw/zinc/22/97/01/598229701.db2.gz RJWSGFNQFBYOSC-SFHVURJKSA-N -1 0 332.400 3.253 20 30 EGEDRM C#CCOc1ccc(/C=C\c2ncc(C(=O)[O-])s2)cc1OCC ZINC000207209642 599907346 /nfs/dbraw/zinc/90/73/46/599907346.db2.gz GDHUTEGRDLSUKH-VURMDHGXSA-N -1 0 329.377 3.422 20 30 EGEDRM C=C(C)CN(CC)S(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC000315836728 600081473 /nfs/dbraw/zinc/08/14/73/600081473.db2.gz DNCSAPJZOXVXIX-UHFFFAOYSA-N -1 0 339.438 3.186 20 30 EGEDRM N#CCOc1ccccc1C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000739090962 600086348 /nfs/dbraw/zinc/08/63/48/600086348.db2.gz BPEYCPPTRRQFRA-UHFFFAOYSA-N -1 0 329.287 3.070 20 30 EGEDRM C=C(Br)CNC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000161497569 600516114 /nfs/dbraw/zinc/51/61/14/600516114.db2.gz WUDLJDZWLAMQQT-UHFFFAOYSA-N -1 0 333.569 3.068 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)c2cc3occc3s2)C(=O)[O-])cc1 ZINC000739114002 600618803 /nfs/dbraw/zinc/61/88/03/600618803.db2.gz FBLHQZUJQAUGDU-AWEZNQCLSA-N -1 0 327.317 3.349 20 30 EGEDRM N#Cc1ccccc1Oc1ccc(NC(=O)NCCC(=O)[O-])cc1F ZINC000819110963 600669141 /nfs/dbraw/zinc/66/91/41/600669141.db2.gz GFMKOMHSXLPLHZ-UHFFFAOYSA-N -1 0 343.314 3.086 20 30 EGEDRM N#CC1(C(=O)OCc2csc(-c3cccc(C(=O)[O-])c3)n2)CCC1 ZINC000833064658 600678711 /nfs/dbraw/zinc/67/87/11/600678711.db2.gz MHFYKMAFUIRLIM-UHFFFAOYSA-N -1 0 342.376 3.245 20 30 EGEDRM C=CCn1c(SC/C=C(\C)C(=O)[O-])nnc1-c1ccccc1F ZINC000825711054 600724705 /nfs/dbraw/zinc/72/47/05/600724705.db2.gz MVHNHCWZIZBCHO-DHZHZOJOSA-N -1 0 333.388 3.393 20 30 EGEDRM N#Cc1cccc(C(=O)N[C@@H](CC(=O)[O-])c2cccc(Cl)c2)c1 ZINC000833073997 600800871 /nfs/dbraw/zinc/80/08/71/600800871.db2.gz LWAWXVXYXVOZDV-HNNXBMFYSA-N -1 0 328.755 3.157 20 30 EGEDRM C#CCOc1ccc(F)cc1NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000238070750 600884246 /nfs/dbraw/zinc/88/42/46/600884246.db2.gz OOAAOBUEXNKSOV-UHFFFAOYSA-N -1 0 341.338 3.107 20 30 EGEDRM C[C@H](OC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccc(C#N)cc1 ZINC000827845044 601132982 /nfs/dbraw/zinc/13/29/82/601132982.db2.gz WMJNWPSUIYWXTO-JTQLQIEISA-N -1 0 340.291 3.083 20 30 EGEDRM COc1cc(C#N)cc(Cl)c1OC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000831861286 601147258 /nfs/dbraw/zinc/14/72/58/601147258.db2.gz SWIWSFJQDLZGCO-WDEREUQCSA-N -1 0 337.759 3.017 20 30 EGEDRM Cn1c(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc2ccccc21 ZINC000833038814 601350613 /nfs/dbraw/zinc/35/06/13/601350613.db2.gz POZZVERLGIXEIH-QGZVFWFLSA-N -1 0 334.331 3.033 20 30 EGEDRM Cn1ccc2c1cccc2C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000833055140 601352143 /nfs/dbraw/zinc/35/21/43/601352143.db2.gz FJLNDCZTAWLVAU-KRWDZBQOSA-N -1 0 334.331 3.033 20 30 EGEDRM C[C@H](Cc1ccccc1F)C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000827592731 601353599 /nfs/dbraw/zinc/35/35/99/601353599.db2.gz TVSHVULZQKYLOF-SJKOYZFVSA-N -1 0 341.338 3.245 20 30 EGEDRM CC[C@H](Nc1ccccc1)C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000828998426 601353829 /nfs/dbraw/zinc/35/38/29/601353829.db2.gz ABFJWFVPIOSCBH-IRXDYDNUSA-N -1 0 338.363 3.118 20 30 EGEDRM N#Cc1cccc([C@@H](OC(=O)c2cc3cccc(F)c3o2)C(=O)[O-])c1 ZINC000833076076 601355049 /nfs/dbraw/zinc/35/50/49/601355049.db2.gz IHGMDLLAWWZAIT-MRXNPFEDSA-N -1 0 339.278 3.426 20 30 EGEDRM N#Cc1cccc([C@H](OC(=O)[C@H]2C[C@H]2C2CCCCC2)C(=O)[O-])c1 ZINC000833075579 601355115 /nfs/dbraw/zinc/35/51/15/601355115.db2.gz MIOVUQPQLATBHI-ULQDDVLXSA-N -1 0 327.380 3.444 20 30 EGEDRM Cn1cc(C#N)cc1C(=O)OCc1c2ccccc2sc1C(=O)[O-] ZINC000833041093 601357436 /nfs/dbraw/zinc/35/74/36/601357436.db2.gz XJSIIBRPYNPJSD-UHFFFAOYSA-N -1 0 340.360 3.167 20 30 EGEDRM C=CCn1c(SCc2cc(C(=O)[O-])oc2CC)nnc1C1CC1 ZINC000825710838 601395399 /nfs/dbraw/zinc/39/53/99/601395399.db2.gz CVQUSRGIDXTZQM-UHFFFAOYSA-N -1 0 333.413 3.487 20 30 EGEDRM O=C([O-])[C@@H](NCC#Cc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000833166760 601416453 /nfs/dbraw/zinc/41/64/53/601416453.db2.gz JVTROGYQVBXKSL-INIZCTEOSA-N -1 0 333.309 3.472 20 30 EGEDRM N#Cc1ccccc1Sc1ccc(C(=O)NCCCC(=O)[O-])cc1 ZINC000833076868 601435480 /nfs/dbraw/zinc/43/54/80/601435480.db2.gz QXFPGZSJZRVOOD-UHFFFAOYSA-N -1 0 340.404 3.304 20 30 EGEDRM C[C@H](CNC(=O)c1ccc(Sc2ccccc2C#N)cc1)C(=O)[O-] ZINC000827496499 601449901 /nfs/dbraw/zinc/44/99/01/601449901.db2.gz DMNQJHHQBFXZSY-GFCCVEGCSA-N -1 0 340.404 3.160 20 30 EGEDRM Cc1c(C(=O)[O-])c2cc(OC(=O)c3ccc(C#N)cc3)ccc2n1C ZINC000832852146 601451092 /nfs/dbraw/zinc/45/10/92/601451092.db2.gz NZIKAGNUTKYWOC-UHFFFAOYSA-N -1 0 334.331 3.276 20 30 EGEDRM Cc1nnc(-c2cccc(C#N)c2)n1Cc1ccc(C(=O)[O-])c(F)c1 ZINC000833017291 601636483 /nfs/dbraw/zinc/63/64/83/601636483.db2.gz FLQACSDPQMZGJY-UHFFFAOYSA-N -1 0 336.326 3.011 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1OCc1ccc(C#N)cc1OC(F)F ZINC000831918536 601782484 /nfs/dbraw/zinc/78/24/84/601782484.db2.gz OYNUVQOHYHKAIG-UHFFFAOYSA-N -1 0 349.289 3.445 20 30 EGEDRM O=C([O-])c1cc(/C=C2\Cc3ccc(OC(F)(F)F)cc3C2=O)c[nH]1 ZINC000833297827 601794493 /nfs/dbraw/zinc/79/44/93/601794493.db2.gz JZZAQRFFWADYBM-XCVCLJGOSA-N -1 0 337.253 3.434 20 30 EGEDRM Cc1ccc(C#N)cc1NC(=O)N[C@@H]1CCCCCC[C@@H]1C(=O)[O-] ZINC000832910602 602036452 /nfs/dbraw/zinc/03/64/52/602036452.db2.gz UVDIVQOQIDANDN-LSDHHAIUSA-N -1 0 329.400 3.412 20 30 EGEDRM CCc1nc2ccccc2n1N=Cc1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC000794886182 602070870 /nfs/dbraw/zinc/07/08/70/602070870.db2.gz FHZVATTVRXRWPN-CYBMUJFWSA-N -1 0 337.379 3.333 20 30 EGEDRM C[C@H](CN(Cc1ccccc1)c1ncc(C#N)cc1Cl)C(=O)[O-] ZINC000827456463 602237255 /nfs/dbraw/zinc/23/72/55/602237255.db2.gz XCDUCPMPVCJCPO-GFCCVEGCSA-N -1 0 329.787 3.334 20 30 EGEDRM C[C@@H](CN(Cc1ccccc1)c1ccc(C#N)cc1[N+](=O)[O-])C(=O)[O-] ZINC000827455651 602237438 /nfs/dbraw/zinc/23/74/38/602237438.db2.gz OIURIGORMJLDHD-ZDUSSCGKSA-N -1 0 339.351 3.194 20 30 EGEDRM Cc1cc(NCc2ccc(OCC#N)cc2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832898155 602317765 /nfs/dbraw/zinc/31/77/65/602317765.db2.gz CQTLXOPBLJABNI-UHFFFAOYSA-N -1 0 341.323 3.116 20 30 EGEDRM CN(CC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)C(=O)[O-] ZINC000828114348 603230364 /nfs/dbraw/zinc/23/03/64/603230364.db2.gz FATGONBWUHOPQU-UHFFFAOYSA-N -1 0 343.314 3.038 20 30 EGEDRM CC(=O)Nc1ccc(Cl)c(NCc2cccc(C(=O)[O-])c2C#N)c1 ZINC000833399845 604537529 /nfs/dbraw/zinc/53/75/29/604537529.db2.gz QJDBYUQNJRGMIG-UHFFFAOYSA-N -1 0 343.770 3.480 20 30 EGEDRM CON=Cc1ccc(C(=O)O[C@H](C)c2cc(C)c(C(=O)[O-])o2)cc1 ZINC000831841728 604541188 /nfs/dbraw/zinc/54/11/88/604541188.db2.gz NXNPCUHRYJAUSO-LLVKDONJSA-N -1 0 331.324 3.185 20 30 EGEDRM C#CCN(Cc1ccc(F)cc1)Cc1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000833364339 604611190 /nfs/dbraw/zinc/61/11/90/604611190.db2.gz KGZNNOMJJCGKBA-HNNXBMFYSA-N -1 0 341.382 3.313 20 30 EGEDRM CCCc1c(C(=O)N2CCc3ccc(C#N)cc32)[nH]c(C)c1C(=O)[O-] ZINC000833652490 604652684 /nfs/dbraw/zinc/65/26/84/604652684.db2.gz CKSGIVYPQBXMMJ-UHFFFAOYSA-N -1 0 337.379 3.048 20 30 EGEDRM C#CC[C@@H](NC(=O)Nc1ccc(CNC(=O)[O-])cc1)c1ccccc1 ZINC000833361279 604658511 /nfs/dbraw/zinc/65/85/11/604658511.db2.gz ZWKWPQJKBUYEDV-QGZVFWFLSA-N -1 0 337.379 3.340 20 30 EGEDRM CC(N=Nc1ccc(C(=O)[O-])cn1)c1nc2ccccc2n1C(F)F ZINC000763371481 604668573 /nfs/dbraw/zinc/66/85/73/604668573.db2.gz BOQZHMFXDPZGLW-UHFFFAOYSA-N -1 0 345.309 3.361 20 30 EGEDRM CC(C)CN(C(=O)Cc1cccc(C(=O)[O-])c1)c1ccc(C#N)cc1 ZINC000833485549 604724863 /nfs/dbraw/zinc/72/48/63/604724863.db2.gz XLIJAYMCHDPGIB-UHFFFAOYSA-N -1 0 336.391 3.488 20 30 EGEDRM C=CCN(CC=C)C(=O)[C@@H](C)SCc1ccc(C(=O)[O-])cc1F ZINC000833375307 604756392 /nfs/dbraw/zinc/75/63/92/604756392.db2.gz PMVADGQPKOQEDE-GFCCVEGCSA-N -1 0 337.416 3.346 20 30 EGEDRM CC(C)(C)CN(CCC#N)c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000833430257 604773066 /nfs/dbraw/zinc/77/30/66/604773066.db2.gz MELKCEFJKUCJAV-VURMDHGXSA-N -1 0 331.372 3.459 20 30 EGEDRM C=CCn1c(S[C@H](C(=O)[O-])C2CC2)nnc1-c1cccc(OC)c1 ZINC000833381027 605071626 /nfs/dbraw/zinc/07/16/26/605071626.db2.gz XZHRTMWTZPCTLK-AWEZNQCLSA-N -1 0 345.424 3.095 20 30 EGEDRM C=CCOc1cccc(N[C@@H](C(=O)[O-])c2cccc(C(=O)OC)c2)c1 ZINC000833378516 605193743 /nfs/dbraw/zinc/19/37/43/605193743.db2.gz IKWVMXZUPDVXQY-QGZVFWFLSA-N -1 0 341.363 3.276 20 30 EGEDRM Cc1ccc(F)c(C(=O)OCc2cccc(C(=O)[O-])c2C#N)c1F ZINC000833749841 605211795 /nfs/dbraw/zinc/21/17/95/605211795.db2.gz XHHUONWWOXNHFO-UHFFFAOYSA-N -1 0 331.274 3.200 20 30 EGEDRM C=C(C)CN(C)C(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000135311730 605399652 /nfs/dbraw/zinc/39/96/52/605399652.db2.gz XOUGRAVFHXITRD-UHFFFAOYSA-N -1 0 327.178 3.187 20 30 EGEDRM C=CCN(CCc1ccco1)C(=O)Nc1ccc(OC)cc1C(=O)[O-] ZINC000833374472 605484016 /nfs/dbraw/zinc/48/40/16/605484016.db2.gz KZLPFNAFVQRVCH-UHFFFAOYSA-N -1 0 344.367 3.249 20 30 EGEDRM C[C@H](Oc1ccc(CNc2cccc(OCC#N)c2)cc1)C(=O)[O-] ZINC000833539968 605546912 /nfs/dbraw/zinc/54/69/12/605546912.db2.gz QOYSVYHHNGNIFF-ZDUSSCGKSA-N -1 0 326.352 3.053 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@@H]1CCO[C@H](CC)C1 ZINC000833379450 605578260 /nfs/dbraw/zinc/57/82/60/605578260.db2.gz CQCMJKHVGSQMSA-UKRRQHHQSA-N -1 0 348.395 3.233 20 30 EGEDRM Cc1cc(CN=Nc2oc(C(C)(C)C)nc2-c2nnn[n-]2)c(C)s1 ZINC000822198806 607149219 /nfs/dbraw/zinc/14/92/19/607149219.db2.gz KUTJPRLUAIRFKO-UHFFFAOYSA-N -1 0 345.432 3.277 20 30 EGEDRM Cc1nc(-c2ccc(C)c(N=Cc3cc([N+](=O)[O-])ccc3[O-])c2)n[nH]1 ZINC000749008262 1299125735 /nfs/dbraw/zinc/12/57/35/1299125735.db2.gz UAILODXGYIQZFT-UHFFFAOYSA-N -1 0 337.339 3.453 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)N[C@@H](C)c2ccc(F)c(F)c2)cc1C#N ZINC000027606499 1291290447 /nfs/dbraw/zinc/29/04/47/1291290447.db2.gz QDQGJQQFNJEFEA-QMMMGPOBSA-N -1 0 349.362 3.150 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)Cc2c[nH]c3ccccc23)cc1 ZINC000042235370 1291437365 /nfs/dbraw/zinc/43/73/65/1291437365.db2.gz BXDMCQTWWQZIFB-UHFFFAOYSA-N -1 0 328.393 3.364 20 30 EGEDRM Cc1cccc(O[C@H](C)C(=O)[N-]S(=O)(=O)c2cccs2)c1 ZINC000042243268 1291437525 /nfs/dbraw/zinc/43/75/25/1291437525.db2.gz LBAFBCQKRIDVPX-LLVKDONJSA-N -1 0 325.411 3.169 20 30 EGEDRM Cc1ccc(OCC(=O)[N-]S(=O)(=O)c2cccs2)cc1C ZINC000042244743 1291438477 /nfs/dbraw/zinc/43/84/77/1291438477.db2.gz ZIEIWDOKZNGTNL-UHFFFAOYSA-N -1 0 325.411 3.089 20 30 EGEDRM Cc1cccc(OCCCC(=O)[N-]S(=O)(=O)c2ccccc2)c1 ZINC000046708680 1291551738 /nfs/dbraw/zinc/55/17/38/1291551738.db2.gz KUNCSKGBSIFWEO-UHFFFAOYSA-N -1 0 333.409 3.499 20 30 EGEDRM O=C(CCCc1ccccc1)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000048419231 1291604187 /nfs/dbraw/zinc/60/41/87/1291604187.db2.gz WMXBBXNIRBPEGO-UHFFFAOYSA-N -1 0 348.380 3.263 20 30 EGEDRM Cc1cc(C)cc(OCCC(=O)[N-]S(=O)(=O)c2cccs2)c1 ZINC000048449104 1291605587 /nfs/dbraw/zinc/60/55/87/1291605587.db2.gz PAWYWZMSUOCILC-UHFFFAOYSA-N -1 0 339.438 3.479 20 30 EGEDRM COCc1ccccc1C(=O)[N-]S(=O)(=O)C=Cc1ccccc1 ZINC000048531320 1291610258 /nfs/dbraw/zinc/61/02/58/1291610258.db2.gz ROCKUXJALOUPLD-VAWYXSNFSA-N -1 0 331.393 3.138 20 30 EGEDRM CCCc1ccc(S(=O)(=O)[N-]C(=O)c2cnn(C(C)(C)C)c2)cc1 ZINC000048563516 1291610898 /nfs/dbraw/zinc/61/08/98/1291610898.db2.gz OWNQJEBKWCFIKC-UHFFFAOYSA-N -1 0 349.456 3.284 20 30 EGEDRM Cn1c(Cl)c(Cl)cc1C(=O)[N-]S(=O)(=O)C1CCCCC1 ZINC000049513668 1291630054 /nfs/dbraw/zinc/63/00/54/1291630054.db2.gz FLTDAVBWQUKMIK-UHFFFAOYSA-N -1 0 339.244 3.299 20 30 EGEDRM O=C(Cc1cnn(-c2ccccc2)c1)[N-]S(=O)(=O)C1CCCCC1 ZINC000058075864 1291876405 /nfs/dbraw/zinc/87/64/05/1291876405.db2.gz WXBXNWXVCDRIAS-UHFFFAOYSA-N -1 0 347.440 3.034 20 30 EGEDRM Cn1cnc(S(=O)(=O)[N-]C(=O)CCCC2CCCCC2)c1Cl ZINC000058062096 1291877302 /nfs/dbraw/zinc/87/73/02/1291877302.db2.gz LAIIIADPKGYDGS-UHFFFAOYSA-N -1 0 347.868 3.469 20 30 EGEDRM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]C(=O)COC(C)C ZINC000064666048 1292062051 /nfs/dbraw/zinc/06/20/51/1292062051.db2.gz IQQOZBYFANEIRC-UHFFFAOYSA-N -1 0 327.446 3.363 20 30 EGEDRM CC(C)CCSCC(=O)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000066004176 1292103852 /nfs/dbraw/zinc/10/38/52/1292103852.db2.gz CANJIUHHKPBXRJ-UHFFFAOYSA-N -1 0 337.413 3.389 20 30 EGEDRM Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C\c1ccc([N+](=O)[O-])cc1)CC2 ZINC000066407748 1292115437 /nfs/dbraw/zinc/11/54/37/1292115437.db2.gz WTORPSOQNDQMJZ-FLIBITNWSA-N -1 0 327.292 3.407 20 30 EGEDRM Cc1cc(OCC(=O)[N-]S(=O)(=O)c2cccs2)ccc1Cl ZINC000069524571 1292244290 /nfs/dbraw/zinc/24/42/90/1292244290.db2.gz QMNKTKWNZDIJDY-UHFFFAOYSA-N -1 0 345.829 3.434 20 30 EGEDRM CCOCC(=O)[N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000069621517 1292246258 /nfs/dbraw/zinc/24/62/58/1292246258.db2.gz RJZFRPBHAXJDDC-UHFFFAOYSA-N -1 0 325.430 3.416 20 30 EGEDRM C[C@@H]1CCCC[C@H]1OCC(=O)[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000073086822 1292305622 /nfs/dbraw/zinc/30/56/22/1292305622.db2.gz RSICDIZREJOYJP-BXUZGUMPSA-N -1 0 329.393 3.066 20 30 EGEDRM O=C([N-]S(=O)(=O)Cc1ccc(F)cc1)c1nccc2ccccc21 ZINC000073087242 1292305650 /nfs/dbraw/zinc/30/56/50/1292305650.db2.gz AKOLGSWGVSLRGM-UHFFFAOYSA-N -1 0 344.367 3.209 20 30 EGEDRM Cc1ccc([N+](=O)[O-])c(C(=O)[N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000076757628 1292440357 /nfs/dbraw/zinc/44/03/57/1292440357.db2.gz ZBHCSOVEXHNTDP-UHFFFAOYSA-N -1 0 348.380 3.214 20 30 EGEDRM C[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000076756235 1292440404 /nfs/dbraw/zinc/44/04/04/1292440404.db2.gz AXDSBHAFHYJOEY-MNOVXSKESA-N -1 0 326.374 3.066 20 30 EGEDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)[C@H]1CCC[C@@H](C)C1 ZINC000076843568 1292445633 /nfs/dbraw/zinc/44/56/33/1292445633.db2.gz AMNAQUCBDNEZJM-PWSUYJOCSA-N -1 0 340.401 3.375 20 30 EGEDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)[C@H]1CCC[C@H](C)C1 ZINC000076843559 1292445720 /nfs/dbraw/zinc/44/57/20/1292445720.db2.gz AMNAQUCBDNEZJM-JQWIXIFHSA-N -1 0 340.401 3.375 20 30 EGEDRM CC(C)c1csc(C(C#N)=C([O-])[C@@H]2Cc3ccccc3C(=O)O2)n1 ZINC000080453973 1292604026 /nfs/dbraw/zinc/60/40/26/1292604026.db2.gz ADSOFFWXYIJVPF-HIFRSBDPSA-N -1 0 340.404 3.224 20 30 EGEDRM C=CCOc1cccc(NC(=O)CSc2n[n-]c(=S)s2)c1 ZINC000081587549 1292665415 /nfs/dbraw/zinc/66/54/15/1292665415.db2.gz LQMHKPUYOKNTCO-UHFFFAOYSA-N -1 0 339.467 3.122 20 30 EGEDRM Cc1cc(C)c(C(=O)[N-]S(=O)(=O)Cc2ccccc2Cl)o1 ZINC000083791424 1292690657 /nfs/dbraw/zinc/69/06/57/1292690657.db2.gz MKLAEHIXADIDEK-UHFFFAOYSA-N -1 0 327.789 3.384 20 30 EGEDRM COc1ccccc1[C@@H](C)CC(=O)[N-]S(=O)(=O)C1CCCC1 ZINC000086054475 1292727528 /nfs/dbraw/zinc/72/75/28/1292727528.db2.gz XBMZEQYBAQFHAE-LBPRGKRZSA-N -1 0 325.430 3.418 20 30 EGEDRM O=C(CCCOc1ccc(F)cc1)[N-]S(=O)(=O)C1CCCC1 ZINC000086054959 1292727845 /nfs/dbraw/zinc/72/78/45/1292727845.db2.gz SRWGIRMPCDXDHL-UHFFFAOYSA-N -1 0 329.393 3.214 20 30 EGEDRM CC[C@@H](Oc1ccccc1C)C(=O)[N-]S(=O)(=O)C1CCCC1 ZINC000086056057 1292728286 /nfs/dbraw/zinc/72/82/86/1292728286.db2.gz HWQDCJVUFFLNST-CQSZACIVSA-N -1 0 325.430 3.381 20 30 EGEDRM O=C(Cc1c(F)cccc1F)[N-]S(=O)(=O)C=Cc1ccccc1 ZINC000088800313 1292756200 /nfs/dbraw/zinc/75/62/00/1292756200.db2.gz PRWUVGRHMXOEPF-MDZDMXLPSA-N -1 0 337.347 3.465 20 30 EGEDRM N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)=C([O-])c1cscn1 ZINC000103330317 1293002122 /nfs/dbraw/zinc/00/21/22/1293002122.db2.gz HZRLAODURNQGPU-JTQLQIEISA-N -1 0 340.191 3.411 20 30 EGEDRM N#Cc1cc(F)c(C(=O)OCc2ccc(C(=O)[O-])c(F)c2)c(F)c1 ZINC000833068613 1293055314 /nfs/dbraw/zinc/05/53/14/1293055314.db2.gz DUPCZSLGYICTPS-UHFFFAOYSA-N -1 0 335.237 3.031 20 30 EGEDRM CCCC[C@H](CC)CC(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1 ZINC000117533653 1293221434 /nfs/dbraw/zinc/22/14/34/1293221434.db2.gz DIPAKHOSXAILLO-AWEZNQCLSA-N -1 0 336.457 3.111 20 30 EGEDRM CCCC[C@@H](CC)CC(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1 ZINC000117533650 1293222003 /nfs/dbraw/zinc/22/20/03/1293222003.db2.gz DIPAKHOSXAILLO-CQSZACIVSA-N -1 0 336.457 3.111 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2ccc(C)c(Cl)c2Cl)CC1 ZINC000835448882 1293293826 /nfs/dbraw/zinc/29/38/26/1293293826.db2.gz KUZAHZUATVXPMC-UHFFFAOYSA-N -1 0 348.251 3.470 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2OCC#N)cc1C ZINC000122329803 1293408838 /nfs/dbraw/zinc/40/88/38/1293408838.db2.gz MXWHMJIZECGFIQ-UHFFFAOYSA-N -1 0 334.372 3.146 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2cc(Cl)cc(Cl)c2)C(=O)O1 ZINC000125783524 1293516729 /nfs/dbraw/zinc/51/67/29/1293516729.db2.gz NYYNJBBJKIAXMR-PYLYLYNFSA-N -1 0 325.147 3.222 20 30 EGEDRM CC#CC/N=C/c1cc(Br)cc(Br)c1[O-] ZINC000134451277 1293773392 /nfs/dbraw/zinc/77/33/92/1293773392.db2.gz UJKWGPNOSZHZFE-VGOFMYFVSA-N -1 0 331.007 3.359 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)c1ccc2cc(Br)ccc2c1 ZINC000159553451 1294240293 /nfs/dbraw/zinc/24/02/93/1294240293.db2.gz NNYRXIVONOZBBN-UHFFFAOYSA-N -1 0 348.196 3.315 20 30 EGEDRM CC(C)NC(=O)C(C#N)=C([O-])c1csc(-c2ccccc2Cl)n1 ZINC000171366447 1294404269 /nfs/dbraw/zinc/40/42/69/1294404269.db2.gz FUIGEXQMIWTRGA-NSHDSACASA-N -1 0 347.827 3.311 20 30 EGEDRM Cc1c(Br)cccc1C([O-])=C(C#N)C(=O)NC1CCCC1 ZINC000173997671 1294476096 /nfs/dbraw/zinc/47/60/96/1294476096.db2.gz AOAAJROAKLUEOC-ZDUSSCGKSA-N -1 0 349.228 3.139 20 30 EGEDRM CCCCCC[C@H](C)C(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1 ZINC000174147691 1294483150 /nfs/dbraw/zinc/48/31/50/1294483150.db2.gz APQXKRJHNRBIOX-AWEZNQCLSA-N -1 0 336.457 3.111 20 30 EGEDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(C#N)ccc1[O-] ZINC000176826290 1294636012 /nfs/dbraw/zinc/63/60/12/1294636012.db2.gz VGDWNFWAGWGSRK-SNVBAGLBSA-N -1 0 343.364 3.291 20 30 EGEDRM C=C[C@H](CC(=O)[N-]S(=O)(=O)c1cc(C)oc1C)c1ccccc1 ZINC000181311220 1294956451 /nfs/dbraw/zinc/95/64/51/1294956451.db2.gz RWYYKSRIAUUEQT-CQSZACIVSA-N -1 0 333.409 3.061 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2ccccc2O[C@@H](C)C#N)ccc1F ZINC000183127727 1295101638 /nfs/dbraw/zinc/10/16/38/1295101638.db2.gz WOXCNRSREYFPBM-LBPRGKRZSA-N -1 0 334.372 3.226 20 30 EGEDRM O=C([O-])CCOc1ccc(/C=C2/Oc3cc(F)cc(F)c3C2=O)cc1 ZINC000184349464 1295190609 /nfs/dbraw/zinc/19/06/09/1295190609.db2.gz VOYAGVXGTWYVMV-VIZOYTHASA-N -1 0 346.285 3.435 20 30 EGEDRM C[C@H](C#N)Oc1ccccc1NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000184565240 1295202680 /nfs/dbraw/zinc/20/26/80/1295202680.db2.gz HCYFOYFIAKKXGB-MRVPVSSYSA-N -1 0 336.269 3.353 20 30 EGEDRM COc1ccc2c(c1)C(=O)/C(=C\c1cccc(O[C@H](C)C(=O)[O-])c1)C2 ZINC000254991289 1296486719 /nfs/dbraw/zinc/48/67/19/1296486719.db2.gz FDIMHZVLLOEXMQ-PWDRSIHYSA-N -1 0 338.359 3.370 20 30 EGEDRM COc1ccc(-c2n[nH]cc2C=CC(=O)c2cc(O)ccc2O)cc1 ZINC000255815855 1296569457 /nfs/dbraw/zinc/56/94/57/1296569457.db2.gz YSHIAGKVPJELHS-YWEYNIOJSA-N -1 0 336.347 3.393 20 30 EGEDRM C=CCC(C)(C)CNS(=O)(=O)c1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC000320015700 1297160487 /nfs/dbraw/zinc/16/04/87/1297160487.db2.gz GUXBCHSOKSCGCO-UHFFFAOYSA-N -1 0 349.811 3.058 20 30 EGEDRM C=CCOc1ccc(/C=C\C(=O)N[C@](C)(CCC)C(=O)[O-])cc1OC ZINC000746373297 1298577585 /nfs/dbraw/zinc/57/75/85/1298577585.db2.gz YOBDRMHZMABLBS-IBHIWXBSSA-N -1 0 347.411 3.033 20 30 EGEDRM O=C([O-])CCOc1cccc(/C=C\C(=O)c2ccc3c(c2)CCO3)c1 ZINC000746684354 1298641549 /nfs/dbraw/zinc/64/15/49/1298641549.db2.gz NUDRHRRPKJIBGJ-XQRVVYSFSA-N -1 0 338.359 3.371 20 30 EGEDRM FC(F)Oc1cccc(C=Nn2c(=S)[n-]nc2C(F)(F)F)c1 ZINC000747042785 1298714552 /nfs/dbraw/zinc/71/45/52/1298714552.db2.gz XIVGFTSFNLMOTG-UHFFFAOYSA-N -1 0 338.261 3.069 20 30 EGEDRM O=c1c2ccccc2[n-]c(=S)n1N=Cc1cccc(OC(F)F)c1 ZINC000747046545 1298714789 /nfs/dbraw/zinc/71/47/89/1298714789.db2.gz AWFLJLOOIXKNGI-UHFFFAOYSA-N -1 0 347.346 3.169 20 30 EGEDRM COc1cc(/C=C\c2ncc(/C=C/C(=O)[O-])s2)ccc1OCC#N ZINC000748441274 1299007628 /nfs/dbraw/zinc/00/76/28/1299007628.db2.gz KQJUFVBHUQCUMO-UCZKPGLMSA-N -1 0 342.376 3.322 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)c2ccc(-c3n[nH]c(C4CC4)n3)cc2)c1 ZINC000748857267 1299094754 /nfs/dbraw/zinc/09/47/54/1299094754.db2.gz XLQZMEIOWNDHEM-UHFFFAOYSA-N -1 0 345.362 3.179 20 30 EGEDRM O=C([O-])COc1ccc(/C=C2/Cc3c(c(F)ccc3F)C2=O)cc1 ZINC000749591675 1299241440 /nfs/dbraw/zinc/24/14/40/1299241440.db2.gz SCGODZUGGCJICP-XFFZJAGNSA-N -1 0 330.286 3.251 20 30 EGEDRM O=c1c2ccccc2[n-]c(=S)n1N=C[C@H]1CCOc2ccccc21 ZINC000752161791 1299704859 /nfs/dbraw/zinc/70/48/59/1299704859.db2.gz VUMMWTAEJAKOAP-GFCCVEGCSA-N -1 0 337.404 3.085 20 30 EGEDRM Cc1ncoc1C([O-])=C(C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000755603529 1300365603 /nfs/dbraw/zinc/36/56/03/1300365603.db2.gz KIQABPPUPGWIJM-SECBINFHSA-N -1 0 338.150 3.251 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1NN=Cc1c(C)nn(C(C)(C)C)c1C ZINC000756901680 1300585943 /nfs/dbraw/zinc/58/59/43/1300585943.db2.gz VXXNWZZPHDKNMA-UHFFFAOYSA-N -1 0 344.415 3.408 20 30 EGEDRM COc1cc(/C=C\C(=O)c2cc(F)cc(F)c2[O-])cc(OC)c1O ZINC000757471390 1300673410 /nfs/dbraw/zinc/67/34/10/1300673410.db2.gz BLSBVQAOAVZVEY-ARJAWSKDSA-N -1 0 336.290 3.289 20 30 EGEDRM O=c1[n-]c(N=NC=CCc2ccccc2[N+](=O)[O-])nc2ccccc12 ZINC000757585101 1300688413 /nfs/dbraw/zinc/68/84/13/1300688413.db2.gz YPEORMALBKGWGT-ALFSFNGHSA-N -1 0 335.323 3.355 20 30 EGEDRM C[C@H](C#N)Oc1ccc(/C=C/C(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000759088585 1301011606 /nfs/dbraw/zinc/01/16/06/1301011606.db2.gz BUAFRHGMHBWSFQ-WNPFHQFXSA-N -1 0 338.319 3.487 20 30 EGEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2cc(Cl)cs2)c1 ZINC000759687837 1301143060 /nfs/dbraw/zinc/14/30/60/1301143060.db2.gz VFOCZERDQVXKTF-ZDUSSCGKSA-N -1 0 332.812 3.349 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)Cc1sc(C)nc1-c1ccc(C)cc1 ZINC000762048381 1301600952 /nfs/dbraw/zinc/60/09/52/1301600952.db2.gz ULHIKTLMAIIPIV-UHFFFAOYSA-N -1 0 344.436 3.069 20 30 EGEDRM COc1ccc2c(c1)[C@@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])CCO2 ZINC000767339114 1302643483 /nfs/dbraw/zinc/64/34/83/1302643483.db2.gz SZPMTYFVINVGND-ZNBBLSJYSA-N -1 0 328.324 3.252 20 30 EGEDRM N#CCOc1cccc(NC(=O)c2cccc(Br)c2[O-])c1 ZINC000769711880 1303163697 /nfs/dbraw/zinc/16/36/97/1303163697.db2.gz UQQWXNNFQJPCPZ-UHFFFAOYSA-N -1 0 347.168 3.309 20 30 EGEDRM C[C@H](C#N)CNN=Cc1cccc(OCc2ccccc2C(=O)[O-])c1 ZINC000771103532 1303360133 /nfs/dbraw/zinc/36/01/33/1303360133.db2.gz NGQYVDUVCRVSTA-CQSZACIVSA-N -1 0 337.379 3.047 20 30 EGEDRM C#CCN(C(=O)c1ccc2oc(=O)nc-2[n-]1)[C@@H]1CCCc2ccccc21 ZINC000887232590 1303709712 /nfs/dbraw/zinc/70/97/12/1303709712.db2.gz SJOOFZVHGXWPDX-MRXNPFEDSA-N -1 0 347.374 3.081 20 30 EGEDRM C=CCCC(=O)Nc1ccc(COC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000774569352 1303828398 /nfs/dbraw/zinc/82/83/98/1303828398.db2.gz CSTIDERMNCFDLA-UHFFFAOYSA-N -1 0 343.339 3.185 20 30 EGEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)[C@H]1CC[C@H](C)C1 ZINC000776511437 1304167319 /nfs/dbraw/zinc/16/73/19/1304167319.db2.gz MBDFDJCHAGBXDV-LEWSCRJBSA-N -1 0 344.411 3.136 20 30 EGEDRM C[C@@H](Oc1cccc(/C=C/C(=O)c2ccc(C#N)c(F)c2)c1)C(=O)[O-] ZINC000776726785 1304188262 /nfs/dbraw/zinc/18/82/62/1304188262.db2.gz NMRVZHWRCVNYEB-FZKGZDJFSA-N -1 0 339.322 3.445 20 30 EGEDRM CC(=NNCCOC(C)C)c1cc(Br)c(F)cc1[O-] ZINC000778549902 1304464190 /nfs/dbraw/zinc/46/41/90/1304464190.db2.gz HUOBTECVMOUSKU-UHFFFAOYSA-N -1 0 333.201 3.032 20 30 EGEDRM CCCCC[C@H](C(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1)C(C)C ZINC000779312883 1304555302 /nfs/dbraw/zinc/55/53/02/1304555302.db2.gz IBTBTOBWUWVZPW-HNNXBMFYSA-N -1 0 342.505 3.369 20 30 EGEDRM C[C@H](CCC(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1)c1ccccc1 ZINC000779321345 1304555854 /nfs/dbraw/zinc/55/58/54/1304555854.db2.gz MFNLDXNGOBWKNZ-OAHLLOKOSA-N -1 0 348.468 3.100 20 30 EGEDRM C#CCCCCCC(=O)[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000780436881 1304692226 /nfs/dbraw/zinc/69/22/26/1304692226.db2.gz HCHSDFLUTIRYPA-UHFFFAOYSA-N -1 0 345.823 3.176 20 30 EGEDRM C#CCCCCCC(=O)[N-]S(=O)(=O)c1c(C)cccc1Cl ZINC000780470077 1304697748 /nfs/dbraw/zinc/69/77/48/1304697748.db2.gz CRNLFDVEBBAYPZ-UHFFFAOYSA-N -1 0 327.833 3.037 20 30 EGEDRM C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cccc(C)c1F ZINC000781562556 1304843413 /nfs/dbraw/zinc/84/34/13/1304843413.db2.gz YTOQXOXUVBZTIK-UHFFFAOYSA-N -1 0 337.347 3.086 20 30 EGEDRM CC[C@H](C)CCCCC(=O)[N-]S(=O)(=O)c1cccc(F)c1C#N ZINC000781603329 1304846747 /nfs/dbraw/zinc/84/67/47/1304846747.db2.gz VXQYBXOEHOJIFU-LBPRGKRZSA-N -1 0 340.420 3.109 20 30 EGEDRM CSc1nnc(C/N=C/c2cc(Br)ccc2O)s1 ZINC000782194505 1304928276 /nfs/dbraw/zinc/92/82/76/1304928276.db2.gz NVQQPVQVHRLLTP-WLRTZDKTSA-N -1 0 344.259 3.347 20 30 EGEDRM CCc1ccc2c(c1)CCN2C(=O)c1cc(C#N)c(SC)[n-]c1=O ZINC000891385973 1305037850 /nfs/dbraw/zinc/03/78/50/1305037850.db2.gz FHXDARDRALDHDZ-UHFFFAOYSA-N -1 0 339.420 3.146 20 30 EGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@H]1CCC(=O)[C@H](C)C1 ZINC000783340945 1305081905 /nfs/dbraw/zinc/08/19/05/1305081905.db2.gz LHGOUJLFJPTARK-OSAQELSMSA-N -1 0 336.391 3.373 20 30 EGEDRM O=C1c2c(F)ccc(F)c2OC/C1=C/c1cc([O-])ccc1[N+](=O)[O-] ZINC000783711959 1305131246 /nfs/dbraw/zinc/13/12/46/1305131246.db2.gz NXIYCRVFYMVUOG-UITAMQMPSA-N -1 0 333.246 3.237 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2ccccc2[C@H](O)C(F)(F)F)cc1[O-] ZINC000785421366 1305348172 /nfs/dbraw/zinc/34/81/72/1305348172.db2.gz CVZGVEBMEAMISY-AWEZNQCLSA-N -1 0 336.269 3.112 20 30 EGEDRM N#CC(C(=O)NCc1cccc(Cl)c1)=C([O-])c1cccc(Cl)n1 ZINC000786535938 1305592827 /nfs/dbraw/zinc/59/28/27/1305592827.db2.gz WDJYLMZNSYSFJO-LBPRGKRZSA-N -1 0 348.189 3.027 20 30 EGEDRM CCc1ccsc1C([O-])=C(C#N)C(=O)NCc1ccc(F)cc1F ZINC000786557975 1305598186 /nfs/dbraw/zinc/59/81/86/1305598186.db2.gz ATRZCDOMCVQXDL-CYBMUJFWSA-N -1 0 348.374 3.228 20 30 EGEDRM N#CC(C(=O)NCc1ccc(F)c(F)c1)=C([O-])c1ccc(Cl)cc1 ZINC000786565486 1305599846 /nfs/dbraw/zinc/59/98/46/1305599846.db2.gz RNHYGXUSZKPNSA-ZDUSSCGKSA-N -1 0 348.736 3.257 20 30 EGEDRM N#CCCn1cc(/C=C/C(=O)c2ccccc2[O-])c(-c2ccncc2)n1 ZINC000788354663 1305926253 /nfs/dbraw/zinc/92/62/53/1305926253.db2.gz GPJNKWYNMUAHOL-VOTSOKGWSA-N -1 0 344.374 3.460 20 30 EGEDRM Cc1nc(Cl)cc(N=NC2CC[C@H](C(=O)[O-])c3ccccc32)n1 ZINC000789020098 1306067082 /nfs/dbraw/zinc/06/70/82/1306067082.db2.gz DPKYFIDKIFYVPU-LBPRGKRZSA-N -1 0 330.775 3.217 20 30 EGEDRM Cc1nn(C)c(/C=C/C(=O)c2ccc([O-])c(F)c2)c1Br ZINC000790600986 1306357588 /nfs/dbraw/zinc/35/75/88/1306357588.db2.gz PSJASAJMFKEDHV-GQCTYLIASA-N -1 0 339.164 3.232 20 30 EGEDRM CC(C)(C)n1ncc2c1nc(N=NC1CCC[C@@H]1CCF)[n-]c2=O ZINC000794908364 1309619121 /nfs/dbraw/zinc/61/91/21/1309619121.db2.gz HZJXZPTWOFWMHS-SNVBAGLBSA-N -1 0 334.399 3.215 20 30 EGEDRM C=CC[C@@H](CC)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795978300 1309873700 /nfs/dbraw/zinc/87/37/00/1309873700.db2.gz ZMUKFQZBPNZWHS-MRVPVSSYSA-N -1 0 336.772 3.020 20 30 EGEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccn(CC(F)F)n2)s1 ZINC000797570671 1310212498 /nfs/dbraw/zinc/21/24/98/1310212498.db2.gz JKKBSQVCVSQXBE-VIFPVBQESA-N -1 0 338.383 3.392 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)NCC1(Sc2ccccc2)CCCC1 ZINC000797722746 1310236640 /nfs/dbraw/zinc/23/66/40/1310236640.db2.gz YNSCYOJVMLHKPR-UHFFFAOYSA-N -1 0 348.468 3.374 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000797740610 1310240510 /nfs/dbraw/zinc/24/05/10/1310240510.db2.gz PJOCZNVSLDZFHO-UHFFFAOYSA-N -1 0 331.397 3.278 20 30 EGEDRM N#CCCN(Cc1cc(=O)oc2cc([O-])c(Cl)cc12)CC1CC1 ZINC000798197086 1310315872 /nfs/dbraw/zinc/31/58/72/1310315872.db2.gz OORPSAQNIKEZOC-UHFFFAOYSA-N -1 0 332.787 3.278 20 30 EGEDRM O=C([O-])COc1cccc(/C=C\C(=O)c2ccnn2-c2ccccc2)c1 ZINC000798371317 1310348431 /nfs/dbraw/zinc/34/84/31/1310348431.db2.gz LSYOVNHSMLIVPZ-KTKRTIGZSA-N -1 0 348.358 3.232 20 30 EGEDRM C[C@@H](C(=O)C(C#N)=C([O-])c1nccn1C)c1ccc(C(F)(F)F)cc1 ZINC000798844076 1310450361 /nfs/dbraw/zinc/45/03/61/1310450361.db2.gz PYXLHRDUBYWFOT-MFKMUULPSA-N -1 0 349.312 3.134 20 30 EGEDRM CC(C)(Cc1nc2ccccc2[nH]1)C(=O)Nc1cc(C#N)ccc1[O-] ZINC000798985229 1310467448 /nfs/dbraw/zinc/46/74/48/1310467448.db2.gz MKLQUZCIOCFOBU-UHFFFAOYSA-N -1 0 334.379 3.348 20 30 EGEDRM C#CCC[C@@H](O)CNC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000799076642 1310480502 /nfs/dbraw/zinc/48/05/02/1310480502.db2.gz OCXINANIIQKODP-OAHLLOKOSA-N -1 0 343.810 3.217 20 30 EGEDRM C=CCCC(=O)[C@@H]1CCCN1C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000820449561 1319891952 /nfs/dbraw/zinc/89/19/52/1319891952.db2.gz XGFFRRDSQCOJLY-ZDUSSCGKSA-N -1 0 330.409 3.256 20 30 EGEDRM CCCc1nc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)co1 ZINC000802043205 1316975800 /nfs/dbraw/zinc/97/58/00/1316975800.db2.gz TVOMOEFOGDJKEW-JTQLQIEISA-N -1 0 331.759 3.242 20 30 EGEDRM O=C([O-])COc1cccc(C(=O)/C=C\c2cnn(CC3CCC3)c2)c1 ZINC000899340690 1316996595 /nfs/dbraw/zinc/99/65/95/1316996595.db2.gz JFZLZIPPJSVYAI-FPLPWBNLSA-N -1 0 340.379 3.043 20 30 EGEDRM CC(C)COc1ccc(C(=O)/C=C/c2cc(C(=O)[O-])nn2C)cc1 ZINC000899341978 1316996713 /nfs/dbraw/zinc/99/67/13/1316996713.db2.gz NWWNOIUPRNGVEO-RMKNXTFCSA-N -1 0 328.368 3.049 20 30 EGEDRM C=CCC(CC=C)C(=O)[N-]S(=O)(=O)CCc1cccc(Cl)c1 ZINC000803056356 1317076728 /nfs/dbraw/zinc/07/67/28/1317076728.db2.gz JEALFGSHVLCPEJ-UHFFFAOYSA-N -1 0 341.860 3.097 20 30 EGEDRM C=CCC[C@H](NC(=O)Nc1cc(C)c(OC)cc1Cl)C(=O)[O-] ZINC000900341151 1317277554 /nfs/dbraw/zinc/27/75/54/1317277554.db2.gz UGUHXAIYANBWQM-NSHDSACASA-N -1 0 326.780 3.198 20 30 EGEDRM Cc1cc(C)c(C)c(S(=O)(=O)[N-]C(=O)CCCCCC#N)c1C ZINC000805844757 1317430918 /nfs/dbraw/zinc/43/09/18/1317430918.db2.gz DDIFNNRSKSNFAL-UHFFFAOYSA-N -1 0 336.457 3.199 20 30 EGEDRM CC(C)N(C)c1ccc(/C=C2/CCc3occ(C(=O)[O-])c3C2=O)cn1 ZINC000901516771 1317437373 /nfs/dbraw/zinc/43/73/73/1317437373.db2.gz VXQSAHPFGIOLMX-JYRVWZFOSA-N -1 0 340.379 3.430 20 30 EGEDRM N#CCCCCCC(=O)[N-]S(=O)(=O)c1csc2ccccc21 ZINC000806001655 1317446654 /nfs/dbraw/zinc/44/66/54/1317446654.db2.gz POINFXGAELKBDP-UHFFFAOYSA-N -1 0 336.438 3.180 20 30 EGEDRM CC(C)(C)OCc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000901738600 1317470911 /nfs/dbraw/zinc/47/09/11/1317470911.db2.gz CKUWAKYLBYPYAR-UHFFFAOYSA-N -1 0 334.397 3.267 20 30 EGEDRM COc1cc(/C=C/C(=O)c2cccc(C(=O)[O-])c2)cc(OC)c1O ZINC000806559319 1317500317 /nfs/dbraw/zinc/50/03/17/1317500317.db2.gz YUDRYAJKLGTCQT-VOTSOKGWSA-N -1 0 328.320 3.004 20 30 EGEDRM CC(C)(C)OCc1cccc([N-]S(=O)(=O)c2ccc(C#N)o2)c1 ZINC000901955650 1317501068 /nfs/dbraw/zinc/50/10/68/1317501068.db2.gz BQMDQHWJMDCLHP-UHFFFAOYSA-N -1 0 334.397 3.267 20 30 EGEDRM C=CCN(CC=C)Cc1cc(OC)c(C(=O)[O-])cc1Br ZINC000903880954 1317740076 /nfs/dbraw/zinc/74/00/76/1317740076.db2.gz DHYSXPGOZPXMCO-UHFFFAOYSA-N -1 0 340.217 3.330 20 30 EGEDRM O=C([O-])c1cc(/C=C/C(=O)c2c(Cl)nc3ccccn32)ccc1O ZINC000809154241 1317776227 /nfs/dbraw/zinc/77/62/27/1317776227.db2.gz PYEJYJNBHDDZCG-FNORWQNLSA-N -1 0 342.738 3.288 20 30 EGEDRM O=C(C=Cc1ccc(N2CCC(O)CC2)cc1)c1sccc1[O-] ZINC000905073051 1317919433 /nfs/dbraw/zinc/91/94/33/1317919433.db2.gz HHZJRTGEMUBZKD-UTCJRWHESA-N -1 0 329.421 3.311 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc2c(c1)CCCCC2=O ZINC000810527794 1318017812 /nfs/dbraw/zinc/01/78/12/1318017812.db2.gz NYTYDFJCPLMFNH-QGZVFWFLSA-N -1 0 340.423 3.225 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)CCc2ccc(CC(C)C)cc2)CC1 ZINC000810982160 1318085536 /nfs/dbraw/zinc/08/55/36/1318085536.db2.gz YROZRFGDKHSFTH-UHFFFAOYSA-N -1 0 349.496 3.372 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000810984152 1318086218 /nfs/dbraw/zinc/08/62/18/1318086218.db2.gz TXTHNUSDFIXOIG-UHFFFAOYSA-N -1 0 348.251 3.091 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2cc3c(s2)CC[C@@H](C)C3)CC1 ZINC000810984529 1318086527 /nfs/dbraw/zinc/08/65/27/1318086527.db2.gz DWPKOJYGRIROGB-LLVKDONJSA-N -1 0 339.482 3.041 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2ccc(O[C@@H](C)CC)cc2)CC1 ZINC000810983847 1318086767 /nfs/dbraw/zinc/08/67/67/1318086767.db2.gz ISSSFKAFAPTARB-ZDUSSCGKSA-N -1 0 337.441 3.032 20 30 EGEDRM O=C([O-])c1ccc2c(c1)CCCCC2N=Nc1ccncc1Cl ZINC000811643777 1318218312 /nfs/dbraw/zinc/21/83/12/1318218312.db2.gz KJZMHRHPKSWADK-UHFFFAOYSA-N -1 0 329.787 3.398 20 30 EGEDRM N#Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000811830717 1318275543 /nfs/dbraw/zinc/27/55/43/1318275543.db2.gz BGUSTGMHFLLFTO-UHFFFAOYSA-N -1 0 333.756 3.154 20 30 EGEDRM COc1ccc(F)cc1/C=C\C(=O)c1ccc(OC)c(CC(=O)[O-])c1 ZINC000812242700 1318351198 /nfs/dbraw/zinc/35/11/98/1318351198.db2.gz ZGNPBUZBIUAXFQ-UTCJRWHESA-N -1 0 344.338 3.366 20 30 EGEDRM C#CC[C@@H](NC(=O)Nc1ccc(SC2CCCC2)cc1)C(=O)[O-] ZINC000908617022 1318373791 /nfs/dbraw/zinc/37/37/91/1318373791.db2.gz FPCPOPZLLVARDW-OAHLLOKOSA-N -1 0 332.425 3.319 20 30 EGEDRM O=C([O-])COc1ccccc1C=NNc1ccccc1Br ZINC000812462837 1318398066 /nfs/dbraw/zinc/39/80/66/1318398066.db2.gz VZDMNEGNFGRIAD-UHFFFAOYSA-N -1 0 349.184 3.359 20 30 EGEDRM C=CCC[C@@H](NC(=O)NC[C@@H](c1ccccc1)C(F)(F)F)C(=O)[O-] ZINC000909099488 1318436342 /nfs/dbraw/zinc/43/63/42/1318436342.db2.gz JBWVRSMQHIRYPG-QWHCGFSZSA-N -1 0 344.333 3.051 20 30 EGEDRM C=C[C@@](C)(CCOC)C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000909225968 1318449684 /nfs/dbraw/zinc/44/96/84/1318449684.db2.gz QQGZDFBJKBZMTR-KRWDZBQOSA-N -1 0 337.441 3.172 20 30 EGEDRM C=C1CCC(C(=O)NCc2ccc(OCCCC(=O)[O-])cc2)CC1 ZINC000909264108 1318453074 /nfs/dbraw/zinc/45/30/74/1318453074.db2.gz OFKPBFADBCHAQP-UHFFFAOYSA-N -1 0 331.412 3.293 20 30 EGEDRM C#CCCCC(=O)N(Cc1ccoc1C(=O)[O-])[C@@H](C)c1ccccn1 ZINC000911327919 1318736051 /nfs/dbraw/zinc/73/60/51/1318736051.db2.gz GNIFMBQLZGKNQI-AWEZNQCLSA-N -1 0 340.379 3.266 20 30 EGEDRM C=C[C@@H](CC(=O)N[C@@](C)(CC(=O)[O-])c1ccncc1)c1ccccc1 ZINC000911625615 1318754662 /nfs/dbraw/zinc/75/46/62/1318754662.db2.gz TVOTTZZAGRZJJP-YWZLYKJASA-N -1 0 338.407 3.248 20 30 EGEDRM CC(=NNC(=S)Nc1ccc(C)cc1)c1csc(C(=O)[O-])c1 ZINC000814712730 1318802902 /nfs/dbraw/zinc/80/29/02/1318802902.db2.gz KRSANXWABLBTLW-UHFFFAOYSA-N -1 0 333.438 3.465 20 30 EGEDRM CC(C)CCNC(=S)NN=C1CC[C@H](C(=O)[O-])C(C)(C)[C@H]1C ZINC000814758753 1318810898 /nfs/dbraw/zinc/81/08/98/1318810898.db2.gz GUJOQRATXUQBEY-NWDGAFQWSA-N -1 0 327.494 3.010 20 30 EGEDRM Cc1cc(C)c(C(=O)[O-])cc1CN=Nc1ncnc2sccc21 ZINC000814765373 1318812165 /nfs/dbraw/zinc/81/21/65/1318812165.db2.gz CPWXGKJRILMZDH-UHFFFAOYSA-N -1 0 326.381 3.452 20 30 EGEDRM Cc1cc(N=NC2CC(C(=O)[O-])(c3cccc(Cl)c3)C2)nc(C)n1 ZINC000814807451 1318822082 /nfs/dbraw/zinc/82/20/82/1318822082.db2.gz WNULQIHJHLGUDT-UHFFFAOYSA-N -1 0 344.802 3.331 20 30 EGEDRM CC(=NNCc1ccc(F)c(F)c1)c1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000814808092 1318822343 /nfs/dbraw/zinc/82/23/43/1318822343.db2.gz BLBLHWKRDUQUSD-GFCCVEGCSA-N -1 0 348.349 3.331 20 30 EGEDRM CC(N=Nc1ncccc1Cl)c1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000814810222 1318823233 /nfs/dbraw/zinc/82/32/33/1318823233.db2.gz DBWZSZXZBIFIHG-NSHDSACASA-N -1 0 333.775 3.423 20 30 EGEDRM CC(N=Nc1oc(C(C)(C)C)nc1C#N)c1cc(C(=O)[O-])cs1 ZINC000814821571 1318824997 /nfs/dbraw/zinc/82/49/97/1318824997.db2.gz BCNCBECETSTGCQ-UHFFFAOYSA-N -1 0 332.385 3.440 20 30 EGEDRM C[C@@H]1CC(N=Nc2cncc(Br)c2)CC[C@H]1C(=O)[O-] ZINC000814887826 1318840110 /nfs/dbraw/zinc/84/01/10/1318840110.db2.gz YUPAHKRXZOPLPA-PRHODGIISA-N -1 0 326.194 3.133 20 30 EGEDRM CC(=NNc1cncc(Br)c1)c1csc(C(=O)[O-])c1 ZINC000814887622 1318840466 /nfs/dbraw/zinc/84/04/66/1318840466.db2.gz USCNRZDAMMSCLM-UHFFFAOYSA-N -1 0 340.202 3.440 20 30 EGEDRM O=C([O-])C1(c2cccc(Br)c2)CC(=NOCC(F)F)C1 ZINC000814903855 1318844243 /nfs/dbraw/zinc/84/42/43/1318844243.db2.gz FBDSWKSQVNPHJM-UHFFFAOYSA-N -1 0 348.143 3.203 20 30 EGEDRM CC(CCc1ccc(OCCC(=O)[O-])cc1)N=Nc1ncccc1F ZINC000814927638 1318852098 /nfs/dbraw/zinc/85/20/98/1318852098.db2.gz YHELDCXAWBIZAK-UHFFFAOYSA-N -1 0 345.374 3.495 20 30 EGEDRM CC[C@@H](NN=C1CC(c2ccc(Br)cc2)C1)C(=O)[O-] ZINC000814937921 1318854246 /nfs/dbraw/zinc/85/42/46/1318854246.db2.gz RROHAGOMUGYIPO-JLOHTSLTSA-N -1 0 325.206 3.135 20 30 EGEDRM O=[N+]([O-])c1cc(CN=Nc2nnc(-c3ccccc3)s2)ccc1[O-] ZINC000814947360 1318857354 /nfs/dbraw/zinc/85/73/54/1318857354.db2.gz NLOACZRIYOKANW-UHFFFAOYSA-N -1 0 341.352 3.265 20 30 EGEDRM N#C[C@H]([N-]C(=O)[C@@H](F)C(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC000815544308 1319013237 /nfs/dbraw/zinc/01/32/37/1319013237.db2.gz QKLAROBKAGGKKO-DTWKUNHWSA-N -1 0 328.187 3.287 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1nsc2ccc(C)cc21 ZINC000815905440 1319070856 /nfs/dbraw/zinc/07/08/56/1319070856.db2.gz NKPMXEXSZWBUPD-CYBMUJFWSA-N -1 0 329.425 3.234 20 30 EGEDRM CC(C)(C#N)CS(=O)(=O)[N-][C@@H](CCc1ccccc1)C(F)(F)F ZINC000914340244 1319300411 /nfs/dbraw/zinc/30/04/11/1319300411.db2.gz WVXZGSVWXDOREN-ZDUSSCGKSA-N -1 0 348.390 3.019 20 30 EGEDRM C[C@H](C/N=C\c1cc([N+](=O)[O-])ccc1[O-])N1CCc2ccccc21 ZINC000914701149 1319365927 /nfs/dbraw/zinc/36/59/27/1319365927.db2.gz BBEURSHOACLRLY-CQLSMYGBSA-N -1 0 325.368 3.171 20 30 EGEDRM CCCN1C[C@@H](C/N=C/c2cc(Cl)cc(Cl)c2[O-])CC1=O ZINC000817708041 1319426795 /nfs/dbraw/zinc/42/67/95/1319426795.db2.gz RKYQZDMAXPCHRM-NCMFSIOGSA-N -1 0 329.227 3.376 20 30 EGEDRM C=CCn1c(C)cc(C([O-])=CS(=O)(=O)c2ccc(F)cc2)c1C ZINC000915676653 1319517794 /nfs/dbraw/zinc/51/77/94/1319517794.db2.gz VIEFHZYIDZHXCR-UHFFFAOYSA-N -1 0 335.400 3.087 20 30 EGEDRM N#CCOc1cccc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000915938921 1319566951 /nfs/dbraw/zinc/56/69/51/1319566951.db2.gz HPFNMLXQSKDHBK-UHFFFAOYSA-N -1 0 329.743 3.387 20 30 EGEDRM CC(=NNc1nnc(C)c(=O)[n-]1)c1cccc(OCc2ccccc2)c1 ZINC000915945796 1319568686 /nfs/dbraw/zinc/56/86/86/1319568686.db2.gz WJDAYSBBWWMBJM-UHFFFAOYSA-N -1 0 349.394 3.301 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])c(C=Nc2ccc(OCC(F)(F)F)nc2)c1 ZINC000915978645 1319578466 /nfs/dbraw/zinc/57/84/66/1319578466.db2.gz ILYAQACFJDLTSH-UHFFFAOYSA-N -1 0 341.245 3.387 20 30 EGEDRM C[C@H]1c2c(c(O)ccc2F)C(=O)/C1=C\c1cnc(N2CCCC2)nc1 ZINC000915987535 1319579675 /nfs/dbraw/zinc/57/96/75/1319579675.db2.gz GQWMKSRDKLOAQY-JYVXZMADSA-N -1 0 339.370 3.305 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(C)c(-n2cccc2)c1 ZINC000916877261 1319718438 /nfs/dbraw/zinc/71/84/38/1319718438.db2.gz PMWPGALBJMNJQQ-QGZVFWFLSA-N -1 0 337.423 3.415 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1nc(-c2cccs2)oc1C ZINC000916878512 1319720232 /nfs/dbraw/zinc/72/02/32/1319720232.db2.gz ZPLIYSKDNZCUEW-LBPRGKRZSA-N -1 0 345.424 3.340 20 30 EGEDRM CCCCCCCOC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000918493320 1319958053 /nfs/dbraw/zinc/95/80/53/1319958053.db2.gz OXPCLZOKGPTJEH-UHFFFAOYSA-N -1 0 334.441 3.349 20 30 EGEDRM C#CCCCS(=O)(=O)[N-]c1nc2c(s1)c(Cl)ccc2C ZINC000840950761 1321184711 /nfs/dbraw/zinc/18/47/11/1321184711.db2.gz STSISFPONUJRPV-UHFFFAOYSA-N -1 0 328.846 3.413 20 30 EGEDRM Cc1cccc2[nH]c(C(C#N)=C([O-])[C@H](C)C(=O)OC(C)(C)C)nc21 ZINC000842308878 1321370303 /nfs/dbraw/zinc/37/03/03/1321370303.db2.gz WBHFEKLISDQYLQ-RYUDHWBXSA-N -1 0 327.384 3.025 20 30 EGEDRM CCOC(=O)[C@@H]1CCC(N=Nc2cccc(C(=O)[O-])c2C)C[C@@H]1C ZINC000844624464 1321626245 /nfs/dbraw/zinc/62/62/45/1321626245.db2.gz PYUKSYPMDSDYCO-SMDDNHRTSA-N -1 0 332.400 3.460 20 30 EGEDRM Cc1nc(-c2ccccc2F)sc1C([O-])=C(C#N)C(=O)NC(C)C ZINC000845442603 1321708002 /nfs/dbraw/zinc/70/80/02/1321708002.db2.gz GSSDDNLCLCALPR-LBPRGKRZSA-N -1 0 345.399 3.105 20 30 EGEDRM C=C[C@H](C)O[N-]C(=O)CSc1ccc(Br)cc1C ZINC000846540773 1321792035 /nfs/dbraw/zinc/79/20/35/1321792035.db2.gz ACGGVAQBGIVKQI-JTQLQIEISA-N -1 0 330.247 3.472 20 30 EGEDRM N#CC1(CS(=O)(=O)[N-]C(=O)CCC2CCCCCC2)CCCC1 ZINC000847675783 1321891292 /nfs/dbraw/zinc/89/12/92/1321891292.db2.gz IGWLRMVANOPFNP-UHFFFAOYSA-N -1 0 340.489 3.267 20 30 EGEDRM CC1(C)CC(=NNc2ccc(CC(=O)[O-])cc2)c2cc(O)ccc2O1 ZINC000848413889 1321958098 /nfs/dbraw/zinc/95/80/98/1321958098.db2.gz DRDLUPDMVORISH-UHFFFAOYSA-N -1 0 340.379 3.397 20 30 EGEDRM COc1cc(C)cc2c1OCCC2=NNc1ccc(CC(=O)[O-])cc1 ZINC000848415601 1321958628 /nfs/dbraw/zinc/95/86/28/1321958628.db2.gz OTILOPZTKROIRK-UHFFFAOYSA-N -1 0 340.379 3.229 20 30 EGEDRM C/C=C\COc1ccc(CCC(C)N=Nc2nnc(C)c(=O)[n-]2)cc1 ZINC000920364578 1322168353 /nfs/dbraw/zinc/16/83/53/1322168353.db2.gz YAOYHCHBFWPTIW-PZSXDTQDSA-N -1 0 341.415 3.261 20 30 EGEDRM COc1cc(/C=C2\Cc3cc(C)ccc3C2=O)ccc1OCC(=O)[O-] ZINC000921263960 1322282332 /nfs/dbraw/zinc/28/23/32/1322282332.db2.gz MFVPUDIGBIVSRR-OVCLIPMQSA-N -1 0 338.359 3.289 20 30 EGEDRM C=CCCC(=O)O[C@@H]1C[C@H]([N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000851176328 1322345756 /nfs/dbraw/zinc/34/57/56/1322345756.db2.gz OMEJCKSZADITFC-QWHCGFSZSA-N -1 0 327.302 3.360 20 30 EGEDRM Cc1cc(N=NC(C)CCc2ccc(O[C@H](C)C(=O)[O-])cc2)ccn1 ZINC000863159605 1329530811 /nfs/dbraw/zinc/53/08/11/1329530811.db2.gz XSHHKNPMTIBFDS-OAHLLOKOSA-N -1 0 341.411 3.084 20 30 EGEDRM COCCCOc1cccc(C(=O)Nc2cc(C#N)ccc2[O-])c1C ZINC000935107595 1330029061 /nfs/dbraw/zinc/02/90/61/1330029061.db2.gz IOAMIUOPFDJKPI-UHFFFAOYSA-N -1 0 340.379 3.240 20 30 EGEDRM COC(=O)c1cnc2ccc(NC(=O)CCC(=O)C3=CC=C[CH]3)cc2c1 ZINC001184244062 1387418588 /nfs/dbraw/zinc/41/85/88/1387418588.db2.gz LTAUOTOLZHXISQ-UHFFFAOYSA-N -1 0 349.366 3.010 20 30 EGEDRM CCOC(=O)COc1ccc(/C=C/C(=O)c2ccccc2[O-])cc1 ZINC001323769307 1387446360 /nfs/dbraw/zinc/44/63/60/1387446360.db2.gz BAUOODPIFMUGPV-FMIVXFBMSA-N -1 0 326.348 3.230 20 30 EGEDRM Cc1cc(C)c(NC(=O)Nc2ccc(C#N)cc2)c(S(=O)(=O)[O-])c1 ZINC001184753055 1387528380 /nfs/dbraw/zinc/52/83/80/1387528380.db2.gz GQWHATXYMGEBLG-UHFFFAOYSA-N -1 0 345.380 3.066 20 30 EGEDRM N#Cc1cc(NC(=O)C2(CC3CCC3)CCOCC2)c([O-])cc1F ZINC001185207577 1387650071 /nfs/dbraw/zinc/65/00/71/1387650071.db2.gz FZUOFKBIINOLLF-UHFFFAOYSA-N -1 0 332.375 3.328 20 30 EGEDRM N#Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(Cl)nc1 ZINC001185687110 1387778780 /nfs/dbraw/zinc/77/87/80/1387778780.db2.gz LKYABDFXRHDAQD-UHFFFAOYSA-N -1 0 328.180 3.061 20 30 EGEDRM N#Cc1cccc([N-]S(=O)(=O)c2ccc(F)c3ccccc32)n1 ZINC001189354917 1367001488 /nfs/dbraw/zinc/00/14/88/1367001488.db2.gz BMQBMCOVYZFLFJ-UHFFFAOYSA-N -1 0 327.340 3.046 20 30 EGEDRM Cc1csc([N-]S(=O)(=O)Cc2ccc(F)cc2F)c1C#N ZINC001189774128 1367106036 /nfs/dbraw/zinc/10/60/36/1367106036.db2.gz UIKOZGXJWUWAMI-UHFFFAOYSA-N -1 0 328.365 3.148 20 30 EGEDRM N#Cc1nc(Cl)ccc1[N-]S(=O)(=O)c1ccc(C2CC2)cc1 ZINC001190468259 1367272337 /nfs/dbraw/zinc/27/23/37/1367272337.db2.gz QZNCKTGFCVNZSS-UHFFFAOYSA-N -1 0 333.800 3.285 20 30 EGEDRM Cc1nc2cc([N-]S(=O)(=O)c3cc(C#N)ccc3F)ccc2s1 ZINC001190607939 1367306972 /nfs/dbraw/zinc/30/69/72/1367306972.db2.gz FCCAEEQZBUDHNV-UHFFFAOYSA-N -1 0 347.396 3.416 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cc3ccccc3cc2O)c1 ZINC001190648309 1367315239 /nfs/dbraw/zinc/31/52/39/1367315239.db2.gz ZTBZBKQQTMKGEI-UHFFFAOYSA-N -1 0 342.351 3.357 20 30 EGEDRM COc1cc(C)c([N-]S(=O)(=O)c2cc(C#N)ccc2F)c(C)c1 ZINC001190650638 1367316707 /nfs/dbraw/zinc/31/67/07/1367316707.db2.gz JYIFYHXUBINRDV-UHFFFAOYSA-N -1 0 334.372 3.124 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc3c(c2)CCCC3=O)c1 ZINC001190656014 1367318319 /nfs/dbraw/zinc/31/83/19/1367318319.db2.gz QZBIASBKDYELPH-UHFFFAOYSA-N -1 0 344.367 3.017 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)NCc2cccc(C(F)F)c2)c1 ZINC001190660760 1367320961 /nfs/dbraw/zinc/32/09/61/1367320961.db2.gz ANTQBGVYZSZVJL-UHFFFAOYSA-N -1 0 340.326 3.113 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2C#N)CC1 ZINC001190806806 1367354732 /nfs/dbraw/zinc/35/47/32/1367354732.db2.gz TTYJGFMBTYIZBD-UHFFFAOYSA-N -1 0 330.331 3.427 20 30 EGEDRM COc1cccc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1C ZINC001190969673 1367391328 /nfs/dbraw/zinc/39/13/28/1367391328.db2.gz HPYOHJPVRDDHFI-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc3cnoc32)c1 ZINC001190981490 1367395050 /nfs/dbraw/zinc/39/50/50/1367395050.db2.gz LNBOROHUUUQCOV-UHFFFAOYSA-N -1 0 333.756 3.154 20 30 EGEDRM Cc1nc(C(=O)[N-]c2c(C#N)ccc(F)c2F)c(Br)o1 ZINC001191629426 1367548008 /nfs/dbraw/zinc/54/80/08/1367548008.db2.gz SHAHFVCYTZXGQA-UHFFFAOYSA-N -1 0 342.099 3.148 20 30 EGEDRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(OC)cc1C#N ZINC001191820861 1367600083 /nfs/dbraw/zinc/60/00/83/1367600083.db2.gz ILFRXAAFYKEOEZ-UHFFFAOYSA-N -1 0 346.408 3.075 20 30 EGEDRM N#Cc1oc2ccccc2c1[N-]S(=O)(=O)C(Cl)(Cl)Cl ZINC001192001152 1367662505 /nfs/dbraw/zinc/66/25/05/1367662505.db2.gz DFWOLRGIJWVAGB-UHFFFAOYSA-N -1 0 339.587 3.374 20 30 EGEDRM C=CC[C@@H](NC(=O)Nc1cccc(COCc2ccco2)c1)C(=O)[O-] ZINC001325062710 1387893898 /nfs/dbraw/zinc/89/38/98/1387893898.db2.gz CQULEPGEKJOWTF-MRXNPFEDSA-N -1 0 344.367 3.147 20 30 EGEDRM C#Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(C)=O)cc1Cl ZINC001193354474 1368007365 /nfs/dbraw/zinc/00/73/65/1368007365.db2.gz VSXFEAHKQAMDCK-UHFFFAOYSA-N -1 0 348.811 3.081 20 30 EGEDRM N#Cc1c[nH]c2cc(NC(=O)c3cc(O)c([O-])c(Cl)c3)ccc12 ZINC001193625133 1368077830 /nfs/dbraw/zinc/07/78/30/1368077830.db2.gz MMIJFQZXIVOHGU-UHFFFAOYSA-N -1 0 327.727 3.356 20 30 EGEDRM CC(C)C[C@@H](CC(=O)OC(C)(C)C)NC(=O)c1cccc(C#N)c1[O-] ZINC001193660165 1368086535 /nfs/dbraw/zinc/08/65/35/1368086535.db2.gz UZULFGHXMJHVPD-AWEZNQCLSA-N -1 0 346.427 3.140 20 30 EGEDRM N#Cc1cccc(C(=O)NCc2ccc(Oc3ccccn3)cc2)c1[O-] ZINC001193658736 1368086937 /nfs/dbraw/zinc/08/69/37/1368086937.db2.gz FQAKUNKRVUEDGK-UHFFFAOYSA-N -1 0 345.358 3.381 20 30 EGEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cc(C)cc(Cl)c2)c1 ZINC001193680603 1368093150 /nfs/dbraw/zinc/09/31/50/1368093150.db2.gz VUKLROPUAIRQST-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cc(C)c(F)c(C)c2)c1 ZINC001193681009 1368093241 /nfs/dbraw/zinc/09/32/41/1368093241.db2.gz LQEPMGYTBAVHAN-UHFFFAOYSA-N -1 0 334.372 3.124 20 30 EGEDRM Cc1cccc(C#N)c1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC001194301485 1368226420 /nfs/dbraw/zinc/22/64/20/1368226420.db2.gz LXVVQXCMTKVSHQ-UHFFFAOYSA-N -1 0 341.314 3.081 20 30 EGEDRM COc1cccc(C#N)c1[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC001195156732 1368390349 /nfs/dbraw/zinc/39/03/49/1368390349.db2.gz OVRUXAQTRQZFQF-UHFFFAOYSA-N -1 0 330.409 3.491 20 30 EGEDRM N#Cc1ccc(C(=O)N2CCc3c(cccc3C(F)(F)F)C2)c([O-])c1 ZINC001195751438 1368482418 /nfs/dbraw/zinc/48/24/18/1368482418.db2.gz UPEDIFWXVVLACZ-UHFFFAOYSA-N -1 0 346.308 3.481 20 30 EGEDRM Cc1cn(-c2ccc(NC(=O)c3ccc(C#N)cc3[O-])cc2F)cn1 ZINC001195758323 1368483588 /nfs/dbraw/zinc/48/35/88/1368483588.db2.gz NMRAYJLXKXYOKW-UHFFFAOYSA-N -1 0 336.326 3.149 20 30 EGEDRM N#Cc1ccc(C(=O)NCc2ccc(Oc3ccccn3)cc2)c([O-])c1 ZINC001195768672 1368486038 /nfs/dbraw/zinc/48/60/38/1368486038.db2.gz PFYUUUMHUJWGCJ-UHFFFAOYSA-N -1 0 345.358 3.381 20 30 EGEDRM COc1ccc(F)c(S(=O)(=O)[N-]c2sc(C)c(C)c2C#N)c1 ZINC001196722270 1368670372 /nfs/dbraw/zinc/67/03/72/1368670372.db2.gz DHSLYTRSLYFWTI-UHFFFAOYSA-N -1 0 340.401 3.185 20 30 EGEDRM COc1ccc(F)c(S(=O)(=O)[N-]c2ccc([C@H](C)C#N)cc2)c1 ZINC001196760293 1368677880 /nfs/dbraw/zinc/67/78/80/1368677880.db2.gz FNKMIYKACLZVDK-LLVKDONJSA-N -1 0 334.372 3.262 20 30 EGEDRM N#Cc1c(F)ccc(NC(=S)Nc2ccc(C(=O)[O-])cc2)c1F ZINC001197112132 1368746416 /nfs/dbraw/zinc/74/64/16/1368746416.db2.gz MLQKUEMLKXQYOM-UHFFFAOYSA-N -1 0 333.319 3.344 20 30 EGEDRM N#Cc1ccc(Cl)c([N-]S(=O)(=O)c2cccc(Cl)n2)c1 ZINC001198232496 1368985409 /nfs/dbraw/zinc/98/54/09/1368985409.db2.gz BGIZVFMDIQZWII-UHFFFAOYSA-N -1 0 328.180 3.061 20 30 EGEDRM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc3occc3c2)c(C#N)c1 ZINC001198869097 1369134669 /nfs/dbraw/zinc/13/46/69/1369134669.db2.gz PFLBMEPDNKFFBA-UHFFFAOYSA-N -1 0 340.360 3.308 20 30 EGEDRM N#Cc1cccc([N-]S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)n1 ZINC001187036639 1388043892 /nfs/dbraw/zinc/04/38/92/1388043892.db2.gz VEBZXTQPRVZXHK-UHFFFAOYSA-N -1 0 342.207 3.202 20 30 EGEDRM CN(C)/C=N/c1ccc(-c2cc(F)c(F)c(C(=O)[O-])c2)cc1C#N ZINC001206045652 1370947941 /nfs/dbraw/zinc/94/79/41/1370947941.db2.gz WWKFVSDVTLFFOH-ZVBGSRNCSA-N -1 0 329.306 3.423 20 30 EGEDRM C=CC[C@H](NC(=O)c1c(C)n(CCC)c2ccc(OC)cc21)C(=O)[O-] ZINC001116906966 1370998388 /nfs/dbraw/zinc/99/83/88/1370998388.db2.gz ZXOXWCZXDKXVRF-HNNXBMFYSA-N -1 0 344.411 3.127 20 30 EGEDRM CC(=O)c1ccc(C([O-])=C(C#N)c2nnc3n2CCCCC3)cc1C ZINC001122601767 1372282226 /nfs/dbraw/zinc/28/22/26/1372282226.db2.gz JTBWSJVFMRPLIW-MRXNPFEDSA-N -1 0 336.395 3.006 20 30 EGEDRM C[C@@H]1CC(=O)C=C(Nc2c(O)cc(S(=O)(=O)[O-])c3ccccc32)C1 ZINC001210775789 1372424981 /nfs/dbraw/zinc/42/49/81/1372424981.db2.gz LPHYEXDSDDEALX-JTQLQIEISA-N -1 0 347.392 3.087 20 30 EGEDRM CC#Cc1cncc(Nc2cc(Cl)c(C)cc2S(=O)(=O)[O-])c1 ZINC001211058637 1372479312 /nfs/dbraw/zinc/47/93/12/1372479312.db2.gz CAVRKWMMAQBPCS-UHFFFAOYSA-N -1 0 336.800 3.405 20 30 EGEDRM CCC[C@@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)C1CCCC1 ZINC001212128968 1372662835 /nfs/dbraw/zinc/66/28/35/1372662835.db2.gz RCFWYNGAYJACHO-OAHLLOKOSA-N -1 0 342.411 3.474 20 30 EGEDRM N#Cc1ncc(Cl)cc1Nc1ccc(NC(=O)CCC(=O)[O-])cc1 ZINC001213185242 1372855506 /nfs/dbraw/zinc/85/55/06/1372855506.db2.gz RONFXFRXPHFEFN-UHFFFAOYSA-N -1 0 344.758 3.154 20 30 EGEDRM N#Cc1ccc(F)cc1Nc1ccc(NC(=O)CCC(=O)[O-])cc1 ZINC001213189504 1372856491 /nfs/dbraw/zinc/85/64/91/1372856491.db2.gz JEIVMBINOJMFOM-UHFFFAOYSA-N -1 0 327.315 3.244 20 30 EGEDRM COc1cc(Nc2c(C#N)cnn2-c2ccccc2)cc(C(=O)[O-])c1 ZINC001213586766 1372929823 /nfs/dbraw/zinc/92/98/23/1372929823.db2.gz LPUFEZRMFUKLNJ-UHFFFAOYSA-N -1 0 334.335 3.194 20 30 EGEDRM COC(=O)c1cc(C#N)cc(C)c1Nc1cc(OC)cc(C(=O)[O-])c1 ZINC001213599683 1372932328 /nfs/dbraw/zinc/93/23/28/1372932328.db2.gz UBONKVADCSWGSR-UHFFFAOYSA-N -1 0 340.335 3.104 20 30 EGEDRM CCOc1ccc(C(=O)[O-])cc1Nc1c(C#N)csc1C(=O)OC ZINC001214268342 1373035125 /nfs/dbraw/zinc/03/51/25/1373035125.db2.gz DQHUGFOGEKPFCG-UHFFFAOYSA-N -1 0 346.364 3.247 20 30 EGEDRM CC(=O)Nc1ccc(Nc2ccc(F)c(C(=O)[O-])c2F)cc1C#N ZINC001215278586 1373193842 /nfs/dbraw/zinc/19/38/42/1373193842.db2.gz AYASWBKLJAHRDO-UHFFFAOYSA-N -1 0 331.278 3.237 20 30 EGEDRM N#Cc1ccc2[n-]c(-c3nc(-c4ccccc4F)no3)cc(=O)c2c1 ZINC001217502634 1373456019 /nfs/dbraw/zinc/45/60/19/1373456019.db2.gz HVSSPCKPQVXJNY-UHFFFAOYSA-N -1 0 332.294 3.256 20 30 EGEDRM Cc1cc(-c2noc(-c3cc(=O)c4cc(C#N)ccc4[n-]3)n2)cnc1C ZINC001217502531 1373456149 /nfs/dbraw/zinc/45/61/49/1373456149.db2.gz MYNNBTQPAKTFRO-UHFFFAOYSA-N -1 0 343.346 3.129 20 30 EGEDRM C=C[C@@H](Oc1c([O-])c(C(=O)OC)sc1C(=O)OC)c1ccccc1 ZINC001227622818 1375455767 /nfs/dbraw/zinc/45/57/67/1375455767.db2.gz OZNPNMRHTVWXPG-LLVKDONJSA-N -1 0 348.376 3.333 20 30 EGEDRM C=C[C@H](Oc1c([O-])c(C(=O)OC)sc1C(=O)OC)c1ccccc1 ZINC001227622819 1375456070 /nfs/dbraw/zinc/45/60/70/1375456070.db2.gz OZNPNMRHTVWXPG-NSHDSACASA-N -1 0 348.376 3.333 20 30 EGEDRM C=C[C@H](CCC)Oc1c([O-])c(C(=O)OCC)oc1C(=O)OCC ZINC001227636436 1375457886 /nfs/dbraw/zinc/45/78/86/1375457886.db2.gz ABTMYKITIPHSAI-SNVBAGLBSA-N -1 0 326.345 3.072 20 30 EGEDRM C=C[C@H](Oc1cc([O-])c(C(=O)OC)cc1[N+](=O)[O-])c1ccccc1 ZINC001228815266 1375686548 /nfs/dbraw/zinc/68/65/48/1375686548.db2.gz UDZJWBGDNTZJKZ-HNNXBMFYSA-N -1 0 329.308 3.393 20 30 EGEDRM COc1ccc2c(c1)nc(=O)[n-]c2O[C@H](C#N)c1cccc(F)c1 ZINC001229140217 1375773637 /nfs/dbraw/zinc/77/36/37/1375773637.db2.gz XWNYYAZWWDKQDW-OAHLLOKOSA-N -1 0 325.299 3.127 20 30 EGEDRM COC(=O)c1ccc2c(c1)nc(=O)[n-]c2O[C@H](C)c1ccccc1C#N ZINC001230205129 1375968090 /nfs/dbraw/zinc/96/80/90/1375968090.db2.gz POCAROZUHKNVIX-LLVKDONJSA-N -1 0 349.346 3.134 20 30 EGEDRM CC[C@@H]1OC(C)=C(Oc2nc3cc(Cl)[n-]c(Cl)c-3n2)C1=O ZINC001231047688 1376199169 /nfs/dbraw/zinc/19/91/69/1376199169.db2.gz AXLQYQMQHFWZPO-ZETCQYMHSA-N -1 0 328.155 3.253 20 30 EGEDRM O=C1c2ccccc2C(NS(=O)(=O)CC2CC2)=C1c1ccccc1 ZINC001188990512 1388428794 /nfs/dbraw/zinc/42/87/94/1388428794.db2.gz HVFOBWOLUQSATM-UHFFFAOYSA-N -1 0 339.416 3.081 20 30 EGEDRM C=CCOC[C@H]1c2c(ncn2C)CCN1Cc1cccc(Cl)c1[O-] ZINC001231912286 1376350324 /nfs/dbraw/zinc/35/03/24/1376350324.db2.gz YRSHOENPDOVIPC-INIZCTEOSA-N -1 0 347.846 3.081 20 30 EGEDRM C#Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)cn1 ZINC001258836595 1377119500 /nfs/dbraw/zinc/11/95/00/1377119500.db2.gz GECUTSDKWIAURC-UHFFFAOYSA-N -1 0 327.192 3.171 20 30 EGEDRM C=CCN(C(=O)c1cc(=O)n(-c2ccccc2)[n-]1)C1CCCCC1 ZINC001147883708 1379097469 /nfs/dbraw/zinc/09/74/69/1379097469.db2.gz HLTNZZQXSROCOX-UHFFFAOYSA-N -1 0 325.412 3.127 20 30 EGEDRM N=C(c1ccccc1N)N(O)C(=O)c1cc2ccc3cccnc3c2[nH]1 ZINC001152302181 1379902575 /nfs/dbraw/zinc/90/25/75/1379902575.db2.gz LQDIUFMPWMFYNS-UHFFFAOYSA-N -1 0 345.362 3.155 20 30 EGEDRM Cc1ccc2ccc(C(=O)Nc3n[nH]c4cccc(C#N)c43)c([O-])c2n1 ZINC001155653507 1380479013 /nfs/dbraw/zinc/47/90/13/1380479013.db2.gz KHHBJNBCDQJRNA-UHFFFAOYSA-N -1 0 343.346 3.249 20 30 EGEDRM C=C(C)CNc1ncccc1S(=O)(=O)[N-]c1ccc(OCC)cc1 ZINC001155660721 1380480027 /nfs/dbraw/zinc/48/00/27/1380480027.db2.gz JLJVIQXVLRZTGK-UHFFFAOYSA-N -1 0 347.440 3.269 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2nc3cc(F)c(Cl)cc3[nH]2)cc1[O-] ZINC001167622453 1383691291 /nfs/dbraw/zinc/69/12/91/1383691291.db2.gz JRVFWTHGCABSJH-UHFFFAOYSA-N -1 0 330.706 3.185 20 30 EGEDRM COC(=O)[C@H](Nc1cc(/C=N/[O-])cc(C(F)(F)F)c1)C(F)(F)F ZINC001171014767 1384430078 /nfs/dbraw/zinc/43/00/78/1384430078.db2.gz IWEYDDZDHKNTLB-DFHDUVABSA-N -1 0 344.211 3.029 20 30 EGEDRM N#CCc1ccc(S(=O)(=O)[N-]c2nc3ccsc3s2)cc1 ZINC001318967994 1385902619 /nfs/dbraw/zinc/90/26/19/1385902619.db2.gz HSOSUJCNKFBOPA-UHFFFAOYSA-N -1 0 335.435 3.225 20 30 EGEDRM Cn1ccc2cccc([N-]S(=O)(=O)c3ccc(CC#N)cc3)c21 ZINC001320976431 1386774280 /nfs/dbraw/zinc/77/42/80/1386774280.db2.gz XFYVDOZKSBVITP-UHFFFAOYSA-N -1 0 325.393 3.045 20 30 EGEDRM C=CC[C@H](NC(=O)c1cc2c(s1)-c1ccccc1OC2)C(=O)[O-] ZINC001321206751 1386840574 /nfs/dbraw/zinc/84/05/74/1386840574.db2.gz RAXSUITXQSOPPQ-LBPRGKRZSA-N -1 0 329.377 3.067 20 30 EGEDRM C=CC[C@H](NC(=O)/C=C(/C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC001321205940 1386840791 /nfs/dbraw/zinc/84/07/91/1386840791.db2.gz ABACVRTXHZTJOJ-KJJQSCHISA-N -1 0 327.302 3.254 20 30 EGEDRM N#Cc1cc(F)c(C(=O)[N-]c2nnc(-c3ccncc3)s2)c(F)c1 ZINC001322679996 1387224006 /nfs/dbraw/zinc/22/40/06/1387224006.db2.gz VZIDXDLXOCHRKU-UHFFFAOYSA-N -1 0 343.318 3.002 20 30 EGEDRM N#Cc1ccc(OCC(=O)Nc2ccc3[n-]c(=S)sc3c2)cc1 ZINC001182915154 1387245363 /nfs/dbraw/zinc/24/53/63/1387245363.db2.gz NORGMUCAJVPUSL-UHFFFAOYSA-N -1 0 341.417 3.474 20 30 EGEDRM CN(C)Cc1cnc(/C=C2/C[C@@H](C(=O)[O-])c3ccccc3C2=O)s1 ZINC001332399357 1390106389 /nfs/dbraw/zinc/10/63/89/1390106389.db2.gz FGBGYRYHHZRJHV-MEODZPNASA-N -1 0 342.420 3.043 20 30 EGEDRM C=CC[C@@H](NC(=O)c1cccc(COc2cccc(F)c2)c1)C(=O)[O-] ZINC001339865266 1390178837 /nfs/dbraw/zinc/17/88/37/1390178837.db2.gz QMDLPJGJBMXBEY-QGZVFWFLSA-N -1 0 343.354 3.164 20 30 EGEDRM C=C(C)Cn1c(-c2c[nH]oc2=O)nnc1N1CCCC2(CCCC2)C1 ZINC001342190498 1390583557 /nfs/dbraw/zinc/58/35/57/1390583557.db2.gz XJPIKSIHFLOMLR-UHFFFAOYSA-N -1 0 343.431 3.375 20 30 EGEDRM C=C(C)Cn1c(-c2c[n-]n(CC)c2=O)nnc1N(C)C1CCCCC1 ZINC001342247227 1390591006 /nfs/dbraw/zinc/59/10/06/1390591006.db2.gz IVEVLHULZCQFEN-UHFFFAOYSA-N -1 0 344.463 3.212 20 30 EGEDRM CC(C)Cn1ncc(C([O-])=C(C#N)c2cccc(F)n2)c1C1CC1 ZINC001342573084 1390627631 /nfs/dbraw/zinc/62/76/31/1390627631.db2.gz CXBXRWXPEQNCGS-ZDUSSCGKSA-N -1 0 326.375 3.441 20 30 EGEDRM Cc1nc2cc(C([O-])=C(C#N)c3nc(N)c4ccccc4n3)ccc2o1 ZINC001342596076 1390630562 /nfs/dbraw/zinc/63/05/62/1390630562.db2.gz VKEIBNYWRORTCV-CYBMUJFWSA-N -1 0 343.346 3.152 20 30 EGEDRM CCCc1noc2nc(C3CC3)cc(C([O-])=C(C#N)c3nccn3C)c12 ZINC001343850842 1390740028 /nfs/dbraw/zinc/74/00/28/1390740028.db2.gz GVTKEFLEDAKFML-CYBMUJFWSA-N -1 0 349.394 3.276 20 30 EGEDRM Cc1ccc(-c2nc(C([O-])=C(C#N)c3cccc(F)n3)cs2)n1C ZINC001344597446 1390802069 /nfs/dbraw/zinc/80/20/69/1390802069.db2.gz VTVGSCLNTHXDPG-NSHDSACASA-N -1 0 340.383 3.481 20 30 EGEDRM C[C@@H](Nc1cc(C#N)c2ccccc2n1)c1cccc(-c2nnn[n-]2)c1 ZINC000820455724 1427849875 /nfs/dbraw/zinc/84/98/75/1427849875.db2.gz MOTFGMSPYJFGGH-GFCCVEGCSA-N -1 0 341.378 3.460 20 30 EGEDRM COc1ccc(NN=C(C)c2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000826210097 1428374069 /nfs/dbraw/zinc/37/40/69/1428374069.db2.gz DJCBWZOVPYZBQQ-UHFFFAOYSA-N -1 0 342.790 3.365 20 30 EGEDRM COc1cc(-c2nn[n-]n2)ccc1CNc1ccc(C#N)cc1Cl ZINC000826170880 1429219003 /nfs/dbraw/zinc/21/90/03/1429219003.db2.gz SMGMKIBLHRSPBD-UHFFFAOYSA-N -1 0 340.774 3.012 20 30 EGEDRM N#Cc1ccc(SCc2ccc(F)cc2-c2nn[n-]n2)c(F)c1 ZINC000737723504 1424060682 /nfs/dbraw/zinc/06/06/82/1424060682.db2.gz UTJCRYPYTQGABB-UHFFFAOYSA-N -1 0 329.335 3.309 20 30 EGEDRM CCc1ccc(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)cc1 ZINC000736682264 1424190210 /nfs/dbraw/zinc/19/02/10/1424190210.db2.gz JUHWZGVAVHTYFG-ZHACJKMWSA-N -1 0 347.422 3.381 20 30 EGEDRM CCCCCCCC(=O)Nc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000825271548 1425076653 /nfs/dbraw/zinc/07/66/53/1425076653.db2.gz KYWVUQWYUWEBMZ-UHFFFAOYSA-N -1 0 342.447 3.440 20 30 EGEDRM Fc1cccc(OCC#Cc2cccc(Cl)c2)c1-c1nn[n-]n1 ZINC000826377053 1425304375 /nfs/dbraw/zinc/30/43/75/1425304375.db2.gz CADQZMLDYXAXEG-UHFFFAOYSA-N -1 0 328.734 3.090 20 30 EGEDRM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1c[nH]c2cc(F)ccc12 ZINC000822923525 1426666485 /nfs/dbraw/zinc/66/64/85/1426666485.db2.gz SQKWPJQTSBVMHY-DUXPYHPUSA-N -1 0 339.355 3.445 20 30 EGEDRM CCN(C)c1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821165547 1426859792 /nfs/dbraw/zinc/85/97/92/1426859792.db2.gz UVWKCZSTQSCISU-AWNIVKPZSA-N -1 0 333.395 3.219 20 30 EGEDRM COc1cccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)c1 ZINC000821863282 1426950308 /nfs/dbraw/zinc/95/03/08/1426950308.db2.gz JMMALSIJHFJSTF-ZROIWOOFSA-N -1 0 332.363 3.088 20 30 EGEDRM CCC(=CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736302397 1427828052 /nfs/dbraw/zinc/82/80/52/1427828052.db2.gz DWSSZGKHRATVCN-RAXLEYEMSA-N -1 0 344.378 3.170 20 30 EGEDRM CC(=NNc1cccc2cnccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000735451225 1427845947 /nfs/dbraw/zinc/84/59/47/1427845947.db2.gz UVLVINSKTSOJPJ-UHFFFAOYSA-N -1 0 329.367 3.251 20 30 EGEDRM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2cc(Cl)ccc2F)o1 ZINC000824352364 1428022994 /nfs/dbraw/zinc/02/29/94/1428022994.db2.gz BBVCBPKHVQCAMB-UHFFFAOYSA-N -1 0 349.757 3.217 20 30 EGEDRM Fc1cc(-c2nn[n-]n2)ccc1C=NNc1cccc2c1CCCC2 ZINC000822740364 1429927288 /nfs/dbraw/zinc/92/72/88/1429927288.db2.gz IOYPVFXIEPXZEL-UHFFFAOYSA-N -1 0 336.374 3.331 20 30 EGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@H](C)CC(C)C ZINC000735418767 1441454128 /nfs/dbraw/zinc/45/41/28/1441454128.db2.gz JCHRNWCMDHLJSE-OAHLLOKOSA-N -1 0 341.459 3.454 20 30 EGEDRM O=C(C=Cc1cc(F)c(F)c(F)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826400232 1441873164 /nfs/dbraw/zinc/87/31/64/1441873164.db2.gz SQLXSHSPIGHKEC-DAFODLJHSA-N -1 0 348.259 3.319 20 30 EGEDRM Cc1cc2ccccc2nc1NN=Cc1cccc(-c2nn[n-]n2)c1 ZINC000826273123 1441995121 /nfs/dbraw/zinc/99/51/21/1441995121.db2.gz QHSYBPQPFZMIRD-UHFFFAOYSA-N -1 0 329.367 3.169 20 30 EGEDRM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1Cl ZINC000819773928 1443378405 /nfs/dbraw/zinc/37/84/05/1443378405.db2.gz XJJYHWXMNPXJPN-UHFFFAOYSA-N -1 0 326.791 3.034 20 30 EGEDRM N#Cc1ccc2c(c1)CCC(=Cc1cc(-c3nnn[n-]3)cs1)C2=O ZINC000822837904 1443508914 /nfs/dbraw/zinc/50/89/14/1443508914.db2.gz XWEXQMLJTLKNRF-WUXMJOGZSA-N -1 0 333.376 3.012 20 30 EGEDRM Cc1cc(C)c2c(c1)C(=O)C(=Cc1ccccc1-c1nn[n-]n1)CO2 ZINC000826263602 1443883148 /nfs/dbraw/zinc/88/31/48/1443883148.db2.gz JLGIUESKMFMCIA-ZROIWOOFSA-N -1 0 332.363 3.142 20 30 EGEDRM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1c[nH]c2ccccc12 ZINC000826401446 1443913905 /nfs/dbraw/zinc/91/39/05/1443913905.db2.gz ZELDABWGAZSSAI-SOFGYWHQSA-N -1 0 333.326 3.383 20 30 EGEDRM O=C1c2cccc(Cl)c2CC1=Cc1cc(-c2nnn[n-]2)cs1 ZINC000823503810 1446431533 /nfs/dbraw/zinc/43/15/33/1446431533.db2.gz JCNHQPHWHGRBTD-YWEYNIOJSA-N -1 0 328.784 3.404 20 30 EGEDRM CN(C)c1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc1 ZINC000821589399 1446636492 /nfs/dbraw/zinc/63/64/92/1446636492.db2.gz MBXYSPIMEJRLAL-PTNGSMBKSA-N -1 0 345.406 3.145 20 30 EGEDRM COC(=O)CCCC[C@H](C)C(C)N=Nc1ccc(-c2nn[n-]n2)cc1 ZINC000821660018 1447029489 /nfs/dbraw/zinc/02/94/89/1447029489.db2.gz CNQVSMRKRAWEQY-LBPRGKRZSA-N -1 0 344.419 3.024 20 30 EGEDRM C=CCCO[C@@H](C)C(=O)N[C@](CC)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000262165953 939061491 /nfs/dbraw/zinc/06/14/91/939061491.db2.gz QCJZMDLKGUSPOZ-SJCJKPOMSA-N -1 0 339.819 3.127 20 30 EGEDRM C=CC(C)(C)CC(=O)N[C@@H](C(=O)[O-])c1ccccc1Br ZINC000909957638 939748257 /nfs/dbraw/zinc/74/82/57/939748257.db2.gz ZYXHUQSXESUHKR-CYBMUJFWSA-N -1 0 340.217 3.293 20 30 EGEDRM C=CC[C@H](Cc1ccccc1)NC(=O)Nc1cncc(C(=O)[O-])c1 ZINC001602718419 971374122 /nfs/dbraw/zinc/37/41/22/971374122.db2.gz MCXLEMZGTXYDHL-OAHLLOKOSA-N -1 0 325.368 3.089 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC001602781414 971524573 /nfs/dbraw/zinc/52/45/73/971524573.db2.gz ZWGNUDLHQDKWDQ-DHSIGJKJSA-N -1 0 348.830 3.487 20 30 EGEDRM CCCC[C@H](ON=C(C)C)C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589639564 949665822 /nfs/dbraw/zinc/66/58/22/949665822.db2.gz CAXPQNWXNZTJSE-BARDWOONSA-N -1 0 340.464 3.209 20 30 EGEDRM CCN(C(=O)/C=C\c1ccc(C(=O)[O-])o1)[C@H](C)c1ccc(C#N)cc1 ZINC001589700861 950238258 /nfs/dbraw/zinc/23/82/58/950238258.db2.gz YWVPTSMILMOEMQ-PRWOLLLXSA-N -1 0 338.363 3.472 20 30 EGEDRM CCN(C(=O)c1coc(/C=C\C(=O)[O-])c1)[C@@H](C)c1ccc(C#N)cc1 ZINC001589710684 950320767 /nfs/dbraw/zinc/32/07/67/950320767.db2.gz LBMCVFSAFUNCQM-YXVBKTCISA-N -1 0 338.363 3.472 20 30 EGEDRM CC(C)(CCNc1nccc(Oc2cccc(C#N)c2)n1)C(=O)[O-] ZINC001602944349 971917040 /nfs/dbraw/zinc/91/70/40/971917040.db2.gz SPTWLVOHKBUMDE-UHFFFAOYSA-N -1 0 326.356 3.053 20 30 EGEDRM CCc1ccc([C@H](C#N)N(C)C(=O)c2coc(/C=C\C(=O)[O-])c2)cc1 ZINC001593635582 953608763 /nfs/dbraw/zinc/60/87/63/953608763.db2.gz WVQZSPRQXVKEJR-JJEJIETFSA-N -1 0 338.363 3.277 20 30 EGEDRM N#CC1(c2ccc(COC(=O)/C=C/c3ccc(C(=O)[O-])o3)cc2)CC1 ZINC001594601561 956136418 /nfs/dbraw/zinc/13/64/18/956136418.db2.gz CXLZEJOYAXXIBL-SOFGYWHQSA-N -1 0 337.331 3.290 20 30 EGEDRM N#Cc1cc(NC(=O)Nc2cccc(CCC(=O)[O-])c2)c(F)cc1F ZINC001594615938 956235434 /nfs/dbraw/zinc/23/54/34/956235434.db2.gz JKFXAGQPLLBCFH-UHFFFAOYSA-N -1 0 345.305 3.498 20 30 EGEDRM N#Cc1ccc(C2CCN(C(=O)c3cccc(C(=O)[O-])c3)CC2)cc1 ZINC001594618213 956262099 /nfs/dbraw/zinc/26/20/99/956262099.db2.gz IYJYIUXGFQLSIZ-UHFFFAOYSA-N -1 0 334.375 3.276 20 30 EGEDRM N#Cc1ccccc1-c1ccccc1C(=O)N[C@H]1CCC[C@H]1C(=O)[O-] ZINC001594628899 956338830 /nfs/dbraw/zinc/33/88/30/956338830.db2.gz VNZAQMUSOWBZBS-MSOLQXFVSA-N -1 0 334.375 3.208 20 30 EGEDRM C[C@@H](c1cccc(C#N)c1)N(C)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001589174779 956484756 /nfs/dbraw/zinc/48/47/56/956484756.db2.gz HOKRPNQYLLLMIH-ZDUSSCGKSA-N -1 0 337.379 3.410 20 30 EGEDRM Cc1cc(F)c(C#N)cc1NC(=O)N[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001594310529 958009786 /nfs/dbraw/zinc/00/97/86/958009786.db2.gz HQUGRYWPLCHKCA-OAHLLOKOSA-N -1 0 345.305 3.092 20 30 EGEDRM Cc1cc(N([C@H](C)C(=O)[O-])C2CC2)n2c3ccccc3nc2c1C#N ZINC001594311605 958031489 /nfs/dbraw/zinc/03/14/89/958031489.db2.gz MDHKQHABGSSWTP-GFCCVEGCSA-N -1 0 334.379 3.110 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 ZINC001588416927 958166409 /nfs/dbraw/zinc/16/64/09/958166409.db2.gz WZSZFMHXYGHXQJ-CYBMUJFWSA-N -1 0 333.453 3.059 20 30 EGEDRM Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCCC(=O)[O-] ZINC001594328021 958189495 /nfs/dbraw/zinc/18/94/95/958189495.db2.gz FZGCOUMVLLCPPH-UHFFFAOYSA-N -1 0 339.351 3.247 20 30 EGEDRM C=C1CCC(CNC(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)CC1 ZINC001573329526 958509938 /nfs/dbraw/zinc/50/99/38/958509938.db2.gz IACBXKYXWFHCNO-IAGOWNOFSA-N -1 0 328.412 3.345 20 30 EGEDRM C=CCOc1ccccc1CNC(=O)N1CCC[C@](CC)(C(=O)[O-])C1 ZINC001588469841 958519897 /nfs/dbraw/zinc/51/98/97/958519897.db2.gz XROYSENBZLDNAZ-IBGZPJMESA-N -1 0 346.427 3.038 20 30 EGEDRM CC(C)(C)c1csc(NC(=O)NCC2(C(=O)[O-])CCC2)c1C#N ZINC001573463847 958931823 /nfs/dbraw/zinc/93/18/23/958931823.db2.gz PNFNWKJHCNWKII-UHFFFAOYSA-N -1 0 335.429 3.294 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1cccc(Cl)c1Br ZINC001588539961 958954651 /nfs/dbraw/zinc/95/46/51/958954651.db2.gz IDSUHUCZMORTLF-LBPRGKRZSA-N -1 0 345.580 3.046 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc([C@H](F)C(F)(F)F)cc1 ZINC001588541961 958967353 /nfs/dbraw/zinc/96/73/53/958967353.db2.gz OUAKEEMYVANTDW-WCQYABFASA-N -1 0 332.253 3.203 20 30 EGEDRM CC(C)CCN(CCC#N)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001573517085 959107988 /nfs/dbraw/zinc/10/79/88/959107988.db2.gz SGMVDTLXAUSDEZ-UHFFFAOYSA-N -1 0 331.416 3.497 20 30 EGEDRM C=CCO[C@@H]1CCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C1 ZINC001326547378 961108727 /nfs/dbraw/zinc/10/87/27/961108727.db2.gz NIVZIAQVARFWJE-BXUZGUMPSA-N -1 0 330.211 3.396 20 30 EGEDRM Cc1cccc([C@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)C(=O)[O-])c1 ZINC001574390826 961177876 /nfs/dbraw/zinc/17/78/76/961177876.db2.gz FNBFKOWIVQJFFX-KRWDZBQOSA-N -1 0 336.391 3.352 20 30 EGEDRM CC(C)(C)c1csc(NC(=O)N2CCC(C(=O)[O-])CC2)c1C#N ZINC001588747003 961180608 /nfs/dbraw/zinc/18/06/08/961180608.db2.gz KUAHUKRUPUZCGM-UHFFFAOYSA-N -1 0 335.429 3.246 20 30 EGEDRM C=CCO[C@@H]1CCN([C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C1 ZINC001328744568 961225498 /nfs/dbraw/zinc/22/54/98/961225498.db2.gz OGGPJMSAILEFQR-ZIAGYGMSSA-N -1 0 330.211 3.396 20 30 EGEDRM CCN(C(=O)c1cccc(Nc2ccc(C#N)cc2)c1)[C@H](C)C(=O)[O-] ZINC001573873811 961225354 /nfs/dbraw/zinc/22/53/54/961225354.db2.gz DDDYNKOPHQBVCT-CYBMUJFWSA-N -1 0 337.379 3.237 20 30 EGEDRM CC(C)[C@@H](C(=O)[O-])C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC001588809124 961506760 /nfs/dbraw/zinc/50/67/60/961506760.db2.gz BAPQLPDTGZYXEL-MRXNPFEDSA-N -1 0 339.351 3.041 20 30 EGEDRM CC(C)C[C@H](CNC(=O)[C@H](C#N)CCc1ccccc1)CC(=O)[O-] ZINC001588887749 962191805 /nfs/dbraw/zinc/19/18/05/962191805.db2.gz YLDDLYMHEOFCPO-IRXDYDNUSA-N -1 0 330.428 3.012 20 30 EGEDRM C#CCSc1ccc(COC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC001573311843 962714324 /nfs/dbraw/zinc/71/43/24/962714324.db2.gz ICKBQIGYTFLKKV-CABCVRRESA-N -1 0 332.421 3.346 20 30 EGEDRM C#Cc1cccc(N(C)C(=O)Nc2cc(COC)cc(C(=O)[O-])c2)c1 ZINC001573314137 962743455 /nfs/dbraw/zinc/74/34/55/962743455.db2.gz YNLGWASBVOTLTQ-UHFFFAOYSA-N -1 0 338.363 3.181 20 30 EGEDRM C=C[C@@H](C(=O)N1CCOc2ccccc2[C@@H]1C(=O)[O-])c1ccccc1 ZINC001573345214 962929181 /nfs/dbraw/zinc/92/91/81/962929181.db2.gz LIBFOXOMRUGXMW-CRAIPNDOSA-N -1 0 337.375 3.003 20 30 EGEDRM C=CCCC[C@@H](NC(=O)CCSc1ccccc1F)C(=O)[O-] ZINC001573357314 963014501 /nfs/dbraw/zinc/01/45/01/963014501.db2.gz LDEAHBYMPTVBLY-CYBMUJFWSA-N -1 0 325.405 3.234 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1cc2c(ccnc2Cl)s1)C(=O)[O-] ZINC001573365305 963052082 /nfs/dbraw/zinc/05/20/82/963052082.db2.gz FGKRPAYQWNICSK-JTQLQIEISA-N -1 0 338.816 3.489 20 30 EGEDRM C=CCCCN(CC)S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC001573365545 963055665 /nfs/dbraw/zinc/05/56/65/963055665.db2.gz GWMJQEMTQXJWNJ-UHFFFAOYSA-N -1 0 349.811 3.154 20 30 EGEDRM Cc1cc(COc2cc(Br)ccc2C#N)oc1C(=O)[O-] ZINC000308015746 963250598 /nfs/dbraw/zinc/25/05/98/963250598.db2.gz RPLIAGBZYRWXFC-UHFFFAOYSA-N -1 0 336.141 3.499 20 30 EGEDRM C#Cc1cccc(N(Cc2ccccc2)C(=O)[C@H]2CC[C@H]2C(=O)[O-])c1 ZINC001588439525 964029479 /nfs/dbraw/zinc/02/94/79/964029479.db2.gz XFZIGOVYMMVRCZ-RBUKOAKNSA-N -1 0 333.387 3.312 20 30 EGEDRM C#CCOc1cc(F)ccc1NC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000899312184 969418944 /nfs/dbraw/zinc/41/89/44/969418944.db2.gz VELWUJKPVHYWLQ-AWEZNQCLSA-N -1 0 348.374 3.089 20 30 EGEDRM N#CCN(C(=O)CSc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000319898683 970586525 /nfs/dbraw/zinc/58/65/25/970586525.db2.gz BUBDKCDLVQXSCG-UHFFFAOYSA-N -1 0 326.377 3.034 20 30 EGEDRM C=CCCCCCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000320473095 970668444 /nfs/dbraw/zinc/66/84/44/970668444.db2.gz FXPSYPCCPYGEJR-UHFFFAOYSA-N -1 0 325.430 3.108 20 30 EGEDRM O=C([O-])c1cccnc1NC(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC001605878252 972657475 /nfs/dbraw/zinc/65/74/75/972657475.db2.gz XOGINKUDBNTZOH-UHFFFAOYSA-N -1 0 342.354 3.432 20 30 EGEDRM Cc1cc(N2CC[C@H](C)[C@@H](C(=O)[O-])C2)n2c3ccccc3nc2c1C#N ZINC001605186960 972903065 /nfs/dbraw/zinc/90/30/65/972903065.db2.gz KMUDKNXDGWGEKU-WFASDCNBSA-N -1 0 348.406 3.215 20 30 EGEDRM N#CCCCOc1cccc(NC(=O)Nc2cc(C(=O)[O-])ccn2)c1 ZINC001605582019 973863963 /nfs/dbraw/zinc/86/39/63/973863963.db2.gz RSOWMTBDMHAQFI-UHFFFAOYSA-N -1 0 340.339 3.106 20 30 EGEDRM N#Cc1ccccc1/C=C\C(=O)N1CC[C@H](C(=O)[O-])c2ccccc21 ZINC001605620330 973943918 /nfs/dbraw/zinc/94/39/18/973943918.db2.gz ZQMVKTSOUNYOEF-IBSYWUHOSA-N -1 0 332.359 3.177 20 30 EGEDRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N1CCC[C@](C)(C#N)C1 ZINC001591763063 975862180 /nfs/dbraw/zinc/86/21/80/975862180.db2.gz BOMUUHFAAXFRBQ-GOSISDBHSA-N -1 0 345.399 3.330 20 30 EGEDRM CC(C)c1[nH]c(CN2CCc3c(CC#N)cccc3C2)cc1C(=O)[O-] ZINC001591912044 976333581 /nfs/dbraw/zinc/33/35/81/976333581.db2.gz ALKUILRTAQVTGW-UHFFFAOYSA-N -1 0 337.423 3.461 20 30 EGEDRM CC(C)c1scnc1C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001592116599 976914870 /nfs/dbraw/zinc/91/48/70/976914870.db2.gz BEMDVYLJHWYOBU-CYBMUJFWSA-N -1 0 330.365 3.121 20 30 EGEDRM C[C@@H](CC1(C#N)CCOCC1)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC001592459495 978178646 /nfs/dbraw/zinc/17/86/46/978178646.db2.gz MIMUDEAYJJQOLE-GJZGRUSLSA-N -1 0 330.428 3.461 20 30 EGEDRM O=C([O-])COc1ccc(CN=Nc2cccc(C(F)(F)F)n2)cc1 ZINC000739421684 978634378 /nfs/dbraw/zinc/63/43/78/978634378.db2.gz MONTWUPZURZLEW-UHFFFAOYSA-N -1 0 339.273 3.010 20 30 EGEDRM O=C([O-])c1cccc(NN=Cc2c[nH]nc2-c2c(F)cccc2F)c1 ZINC000755471216 978696670 /nfs/dbraw/zinc/69/66/70/978696670.db2.gz DPRRXSQBNWQNBC-UHFFFAOYSA-N -1 0 342.305 3.499 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1NN=C(C)c1ccc(C#N)cc1F ZINC000781128360 978790907 /nfs/dbraw/zinc/79/09/07/978790907.db2.gz QTNLOOZPTCIKDA-UHFFFAOYSA-N -1 0 327.315 3.240 20 30 EGEDRM CC(=O)Nc1ccc(C(=O)/C=C/c2ccc(OCC(=O)[O-])cc2)cc1 ZINC000781551579 978790985 /nfs/dbraw/zinc/79/09/85/978790985.db2.gz LWQYVZYSTZDJMU-NYYWCZLTSA-N -1 0 339.347 3.005 20 30 EGEDRM O=C([O-])c1ccc(N=NCc2c(F)cccc2OC(F)(F)F)nc1 ZINC000789033304 978797970 /nfs/dbraw/zinc/79/79/70/978797970.db2.gz HEFMRRIIPNYDCW-UHFFFAOYSA-N -1 0 343.236 3.264 20 30 EGEDRM COc1ccccc1CON=Cc1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC000794936649 978830765 /nfs/dbraw/zinc/83/07/65/978830765.db2.gz CHWYSABLKYIAGV-CYBMUJFWSA-N -1 0 329.352 3.098 20 30 EGEDRM CCN(C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)[C@@H](C)c1ccc(C#N)cc1 ZINC000829591882 979003389 /nfs/dbraw/zinc/00/33/89/979003389.db2.gz ZWICHTBTUJDEHL-XKQJLSEDSA-N -1 0 328.412 3.359 20 30 EGEDRM C=C(C)COc1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)[O-])cc1 ZINC000833369372 979171838 /nfs/dbraw/zinc/17/18/38/979171838.db2.gz SWAJHMYHZZAXNL-HNNXBMFYSA-N -1 0 335.400 3.162 20 30 EGEDRM C=CCc1cc(OC)ccc1OC(=O)Cc1cccc(C(=O)[O-])c1 ZINC000833379755 979175264 /nfs/dbraw/zinc/17/52/64/979175264.db2.gz LVZCOENUYCLABO-UHFFFAOYSA-N -1 0 326.348 3.270 20 30 EGEDRM CC(C)(C)OC(=O)N1CC[C@H](CN=Nc2ccccc2C(=O)[O-])C1 ZINC000834936312 979242426 /nfs/dbraw/zinc/24/24/26/979242426.db2.gz WWWVTYDLYQCESW-GFCCVEGCSA-N -1 0 333.388 3.040 20 30 EGEDRM CCCCCCCC[C@H](C)C(=O)N1CC[C@H](OC)C[C@H]1C(=O)[O-] ZINC000851622497 979555000 /nfs/dbraw/zinc/55/50/00/979555000.db2.gz BIHXTNHTPDHPSC-JYJNAYRXSA-N -1 0 327.465 3.464 20 30 EGEDRM C#CCN(C(=O)c1[nH]c2ccccc2c1CC(=O)[O-])C1CCCCC1 ZINC000908760614 981356358 /nfs/dbraw/zinc/35/63/58/981356358.db2.gz OZAMJJGOEKMCKT-UHFFFAOYSA-N -1 0 338.407 3.203 20 30 EGEDRM C=CCSc1ccccc1C(=O)N[C@H](CC(F)(F)F)C(=O)[O-] ZINC000909665283 981561316 /nfs/dbraw/zinc/56/13/16/981561316.db2.gz DEHYHURLRYPDEP-SNVBAGLBSA-N -1 0 333.331 3.100 20 30 EGEDRM C#CCC1(C(=O)N2CCc3c(cccc3C(=O)[O-])C2)CCCCC1 ZINC000910066274 981751432 /nfs/dbraw/zinc/75/14/32/981751432.db2.gz OORFHGNUCPMIFO-UHFFFAOYSA-N -1 0 325.408 3.243 20 30 EGEDRM CCCC[C@@H](ON=C(C)C)C(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1 ZINC001595651240 982019432 /nfs/dbraw/zinc/01/94/32/982019432.db2.gz DKMQGDNLWFOMPC-HZPDHXFCSA-N -1 0 334.416 3.242 20 30 EGEDRM CCCC[C@@H](ON=C(C)C)C(=O)N[C@@H](C(=O)[O-])C1CCCCC1 ZINC001595651802 982026661 /nfs/dbraw/zinc/02/66/61/982026661.db2.gz KPPFXFLBOCBBAJ-HUUCEWRRSA-N -1 0 326.437 3.107 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1cccc(C)c1Br)C(=O)[O-] ZINC000910910910 982160919 /nfs/dbraw/zinc/16/09/19/982160919.db2.gz BAOVUCMMIJVAEH-LBPRGKRZSA-N -1 0 340.217 3.297 20 30 EGEDRM CCCCCCCNC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001595704383 982274425 /nfs/dbraw/zinc/27/44/25/982274425.db2.gz JCPMFJPKOQIEBU-DLBZAZTESA-N -1 0 332.444 3.467 20 30 EGEDRM N#C[C@]1(C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)CC12CCCC2 ZINC000923070936 982706152 /nfs/dbraw/zinc/70/61/52/982706152.db2.gz UZAOTWJEFCEXDI-KRWDZBQOSA-N -1 0 348.786 3.216 20 30 EGEDRM C[C@H](CC(=O)[O-])NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC001574003894 983153087 /nfs/dbraw/zinc/15/30/87/983153087.db2.gz KAGQILITRMYNIQ-GFCCVEGCSA-N -1 0 339.351 3.335 20 30 EGEDRM C=C(C)[C@@H](CC(=O)Nc1ccc(OCC)c(F)c1C(=O)[O-])OCC ZINC001588536170 983592482 /nfs/dbraw/zinc/59/24/82/983592482.db2.gz VDQZHPAHIKCKEF-CYBMUJFWSA-N -1 0 339.363 3.232 20 30 EGEDRM C=C(C)C[C@H](NC(=O)[C@H](C)c1cccc(Br)c1)C(=O)[O-] ZINC001588537680 983601198 /nfs/dbraw/zinc/60/11/98/983601198.db2.gz VVQUHHSAAIRKOG-MFKMUULPSA-N -1 0 340.217 3.088 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)[C@@H](C)c1cccc(Br)c1)C(=O)[O-] ZINC001588537679 983601233 /nfs/dbraw/zinc/60/12/33/983601233.db2.gz VVQUHHSAAIRKOG-GXFFZTMASA-N -1 0 340.217 3.088 20 30 EGEDRM C=C(C)C[C@@H](CO)NC(=O)Nc1cccc2cc(C(=O)[O-])sc21 ZINC001588537825 983602158 /nfs/dbraw/zinc/60/21/58/983602158.db2.gz YZTLOXAQIBOBCE-NSHDSACASA-N -1 0 334.397 3.048 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)N1CCC(Cc2ccccc2)CC1)C(=O)[O-] ZINC001588543311 983611247 /nfs/dbraw/zinc/61/12/47/983611247.db2.gz FUTTXCQPZIKUEN-QGZVFWFLSA-N -1 0 330.428 3.070 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)c1cc(C(C)C)n(-c2ccccc2)n1)C(=O)[O-] ZINC001588543530 983611700 /nfs/dbraw/zinc/61/17/00/983611700.db2.gz JQOIIOOTMKRPJZ-MRXNPFEDSA-N -1 0 341.411 3.145 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)c1ccc(-n2cnc3ccccc32)cc1)C(=O)[O-] ZINC001588546296 983614784 /nfs/dbraw/zinc/61/47/84/983614784.db2.gz FITPWWRODYVEMO-QGZVFWFLSA-N -1 0 349.390 3.175 20 30 EGEDRM C=C(C)CN(CC)S(=O)(=O)c1cc2ccccc2cc1C(=O)[O-] ZINC001588567326 983646934 /nfs/dbraw/zinc/64/69/34/983646934.db2.gz JRHCOOBHGYSJIZ-UHFFFAOYSA-N -1 0 333.409 3.125 20 30 EGEDRM C=C(C)Cc1cccc(C(=O)[O-])c1OCc1nc(C(=O)OC)cs1 ZINC001588576866 983654407 /nfs/dbraw/zinc/65/44/07/983654407.db2.gz DCJJJIHDZUMOKG-UHFFFAOYSA-N -1 0 347.392 3.326 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N[C@H](C#N)c1c(Cl)cccc1Cl ZINC001588619257 983715951 /nfs/dbraw/zinc/71/59/51/983715951.db2.gz PEYMLSASKDACQI-LLVKDONJSA-N -1 0 327.167 3.095 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1cc(Cl)ccc1OCCOCC ZINC001588629210 983736071 /nfs/dbraw/zinc/73/60/71/983736071.db2.gz BJBQGKQVRGQLPS-UHFFFAOYSA-N -1 0 341.791 3.115 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(F)c(C(=O)c2ccccc2)c1 ZINC001588629799 983739537 /nfs/dbraw/zinc/73/95/37/983739537.db2.gz UVESZCACGJEARL-UHFFFAOYSA-N -1 0 341.338 3.416 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)NCc1sc(-c2ccccc2)nc1C ZINC001588630325 983742792 /nfs/dbraw/zinc/74/27/92/983742792.db2.gz ILHAKDUYYQWGTB-UHFFFAOYSA-N -1 0 330.409 3.156 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1cnn(-c2cccc(C)c2)c1CCC ZINC001588633366 983749028 /nfs/dbraw/zinc/74/90/28/983749028.db2.gz GGPAQDZUJNUTGP-UHFFFAOYSA-N -1 0 341.411 3.493 20 30 EGEDRM C=C[C@@H](C(=O)Nc1nc(CCCC(=O)[O-])cs1)c1ccccc1 ZINC001588664232 983798906 /nfs/dbraw/zinc/79/89/06/983798906.db2.gz OSKHIQUTRBQZHG-CQSZACIVSA-N -1 0 330.409 3.459 20 30 EGEDRM C=CC(C)(C)CNC(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC001588676766 983830736 /nfs/dbraw/zinc/83/07/36/983830736.db2.gz AEMPPHGMOLZRCW-UHFFFAOYSA-N -1 0 341.411 3.146 20 30 EGEDRM C=CC(C)(C)CCNS(=O)(=O)c1cccc2c(C(=O)[O-])cccc21 ZINC001588677126 983833813 /nfs/dbraw/zinc/83/38/13/983833813.db2.gz SGFRFZFDSJYDKA-UHFFFAOYSA-N -1 0 347.436 3.419 20 30 EGEDRM C=C[C@@H](CC)CC(=O)N1CCN(c2ccc(C(=O)[O-])cc2)C[C@H]1C ZINC001588690818 983877132 /nfs/dbraw/zinc/87/71/32/983877132.db2.gz MCCNCLFEQZGZJH-CABCVRRESA-N -1 0 330.428 3.024 20 30 EGEDRM C=C[C@H](CC)CC(=O)N[C@@H](C(=O)[O-])c1ccc(Br)cc1 ZINC001588691279 983879335 /nfs/dbraw/zinc/87/93/35/983879335.db2.gz WJFSQQLHRNIEFY-QMTHXVAHSA-N -1 0 340.217 3.293 20 30 EGEDRM C=C[C@@H](OC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC001588712453 983944429 /nfs/dbraw/zinc/94/44/29/983944429.db2.gz LNNLZWHIIWKSIZ-OAHLLOKOSA-N -1 0 327.292 3.377 20 30 EGEDRM C=C[C@@H](OC(=O)c1cc(C2CC2)nc2onc(C(C)C)c21)C(=O)[O-] ZINC001588713413 983949233 /nfs/dbraw/zinc/94/92/33/983949233.db2.gz WESOUMQDFFJZHC-GFCCVEGCSA-N -1 0 330.340 3.020 20 30 EGEDRM C=CC[C@@H](C)NC(=O)N1CCC(Cc2ccccc2C(=O)[O-])CC1 ZINC001588736744 984026739 /nfs/dbraw/zinc/02/67/39/984026739.db2.gz TZKSBKCOUJGIDP-CQSZACIVSA-N -1 0 330.428 3.314 20 30 EGEDRM C=CCC(F)(F)C(=O)N[C@@](CC)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001588743393 984037298 /nfs/dbraw/zinc/03/72/98/984037298.db2.gz WIYDOLPJNSBGNL-CQSZACIVSA-N -1 0 331.746 3.358 20 30 EGEDRM C=CC[C@@H](Sc1nnc(NCCc2cccs2)s1)C(=O)[O-] ZINC001588761780 984114276 /nfs/dbraw/zinc/11/42/76/984114276.db2.gz BHIAVHSQRNQEDC-SNVBAGLBSA-N -1 0 341.483 3.376 20 30 EGEDRM C=CCC1(C(=O)Nc2nnc(CCCC(=O)[O-])s2)CCCCC1 ZINC001588764476 984122335 /nfs/dbraw/zinc/12/23/35/984122335.db2.gz BEWZHXPHAYKBJU-UHFFFAOYSA-N -1 0 337.445 3.411 20 30 EGEDRM C=CCC1(CNC(=O)N[C@H](C)c2ncc(C(=O)[O-])s2)CCCC1 ZINC001588767359 984129943 /nfs/dbraw/zinc/12/99/43/984129943.db2.gz XHRDVGJZPSAFGY-LLVKDONJSA-N -1 0 337.445 3.338 20 30 EGEDRM C=CCC[C@@H](C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21)c1ccccc1 ZINC001588776751 984153009 /nfs/dbraw/zinc/15/30/09/984153009.db2.gz DQUDBJZLJVSSFK-ZKXLYKBJSA-N -1 0 327.424 3.352 20 30 EGEDRM C=CCCC[C@@H](NC(=O)/C(C)=C/c1ccc(OC)c(F)c1)C(=O)[O-] ZINC001588785498 984180653 /nfs/dbraw/zinc/18/06/53/984180653.db2.gz HMLJPMFVTXTXOE-HBIYDYFMSA-N -1 0 335.375 3.163 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1ccccc1OC(F)(F)F)C(=O)[O-] ZINC001588792652 984211186 /nfs/dbraw/zinc/21/11/86/984211186.db2.gz BZXMDOKNBQYFQR-LLVKDONJSA-N -1 0 331.290 3.125 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1cc(C)ccc1Br)C(=O)[O-] ZINC001588792685 984212386 /nfs/dbraw/zinc/21/23/86/984212386.db2.gz LLWHSYPGMZYXQS-CYBMUJFWSA-N -1 0 340.217 3.297 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1ccc(OC)cc1OC(C)C)C(=O)[O-] ZINC001588793569 984220186 /nfs/dbraw/zinc/22/01/86/984220186.db2.gz STVCIXNTQAKRLC-HNNXBMFYSA-N -1 0 335.400 3.022 20 30 EGEDRM C=CCCC[C@@H](NC(=O)Cc1sc(C2CCC2)nc1C)C(=O)[O-] ZINC001588793878 984222303 /nfs/dbraw/zinc/22/23/03/984222303.db2.gz DYZBOKMPTFKNLC-CYBMUJFWSA-N -1 0 336.457 3.187 20 30 EGEDRM C=CCCN(C)C(=O)NCc1cccc(-c2nc(C(=O)[O-])cs2)c1 ZINC001588805555 984254091 /nfs/dbraw/zinc/25/40/91/984254091.db2.gz DNRXZNHEENZKSS-UHFFFAOYSA-N -1 0 345.424 3.226 20 30 EGEDRM C=CCCSCCNC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001588814713 984272168 /nfs/dbraw/zinc/27/21/68/984272168.db2.gz MYGSNLJPZAGAMG-UHFFFAOYSA-N -1 0 328.821 3.469 20 30 EGEDRM C=CCN(CC1CCCCC1)S(=O)(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001588825784 984302090 /nfs/dbraw/zinc/30/20/90/984302090.db2.gz XYZHRVUDYNFSMW-CVEARBPZSA-N -1 0 343.489 3.028 20 30 EGEDRM C=CCN(CCC#N)Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC001588826492 984303494 /nfs/dbraw/zinc/30/34/94/984303494.db2.gz GETABXCCPBITPV-UHFFFAOYSA-N -1 0 327.409 3.410 20 30 EGEDRM C=CCN(CCc1ccco1)[C@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC001588829388 984314252 /nfs/dbraw/zinc/31/42/52/984314252.db2.gz XMXGUXCWZLQSNA-CQSZACIVSA-N -1 0 344.411 3.225 20 30 EGEDRM C=CCOC[C@@H](NC(=O)c1ccc(C(C)(C)C)c(Cl)c1)C(=O)[O-] ZINC001588859766 984408071 /nfs/dbraw/zinc/40/80/71/984408071.db2.gz WIHVLDGKLXKJGG-CQSZACIVSA-N -1 0 339.819 3.023 20 30 EGEDRM C=CCOc1cccc(NC(=O)NCc2ccc(C(=O)[O-])s2)c1 ZINC001588872666 984441430 /nfs/dbraw/zinc/44/14/30/984441430.db2.gz AZCDINHEZPHQMB-UHFFFAOYSA-N -1 0 332.381 3.333 20 30 EGEDRM C=CCSc1ccccc1NC(=O)CN1CCC[C@](C)(C(=O)[O-])C1 ZINC001588879814 984459730 /nfs/dbraw/zinc/45/97/30/984459730.db2.gz QPUQBHLOEJCUBT-SFHVURJKSA-N -1 0 348.468 3.090 20 30 EGEDRM C=CCc1ccccc1OS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001588886575 984472886 /nfs/dbraw/zinc/47/28/86/984472886.db2.gz MVPPRAUPVQZIPB-UHFFFAOYSA-N -1 0 336.340 3.020 20 30 EGEDRM C=CCn1c2ccccc2nc1SCC(=O)c1ccc(C(=O)[O-])o1 ZINC001588907602 984539321 /nfs/dbraw/zinc/53/93/21/984539321.db2.gz PTGYAFJQEVURSI-UHFFFAOYSA-N -1 0 342.376 3.489 20 30 EGEDRM CC(=NNc1cc(C(=O)[O-])ccc1Br)c1cncs1 ZINC001589016558 984996703 /nfs/dbraw/zinc/99/67/03/984996703.db2.gz ALUYKFDSPOMLNP-UHFFFAOYSA-N -1 0 340.202 3.440 20 30 EGEDRM CC(=NNC[C@H]1CCSC1)c1cnc2sc(C(=O)[O-])c(C)c2c1 ZINC001589016904 984999545 /nfs/dbraw/zinc/99/95/45/984999545.db2.gz OCPOODLKZMYNHG-LLVKDONJSA-N -1 0 349.481 3.370 20 30 EGEDRM Cc1[nH]c(C(=O)N[C@H](CCCC#N)c2ccccc2)c(C)c1C(=O)[O-] ZINC001599953539 985650316 /nfs/dbraw/zinc/65/03/16/985650316.db2.gz VYAYNNJFSQEQIQ-OAHLLOKOSA-N -1 0 339.395 3.495 20 30 EGEDRM C[C@H](C#N)Cn1nc(C(=O)[O-])cc1-c1ccccc1Br ZINC001589331308 986184017 /nfs/dbraw/zinc/18/40/17/986184017.db2.gz ALFWFXVHCIYICS-SECBINFHSA-N -1 0 334.173 3.170 20 30 EGEDRM Cc1c(C(=O)[O-])c2cc(OC(=O)c3csc(C#N)c3)ccc2n1C ZINC001599984176 986206816 /nfs/dbraw/zinc/20/68/16/986206816.db2.gz DANPMRCBWIRAGW-UHFFFAOYSA-N -1 0 340.360 3.337 20 30 EGEDRM CCOc1ccc(C#N)cc1NC(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001597055657 986532835 /nfs/dbraw/zinc/53/28/35/986532835.db2.gz DRTRZJGGZCPIIC-UHFFFAOYSA-N -1 0 345.399 3.114 20 30 EGEDRM CCOc1ccc(/C=N\[C@@H](Cc2ccc(F)cc2)C(=O)[O-])c(O)c1 ZINC001597082263 986633582 /nfs/dbraw/zinc/63/35/82/986633582.db2.gz FCMUGFSJQHPRKH-VBNMEBLOSA-N -1 0 331.343 3.045 20 30 EGEDRM CCOc1ccc(NC(=O)N2CCC(C)(C#N)CC2)c(C(=O)[O-])c1F ZINC001597117952 986795128 /nfs/dbraw/zinc/79/51/28/986795128.db2.gz BBHTWAGNSBVROE-UHFFFAOYSA-N -1 0 349.362 3.080 20 30 EGEDRM CCOc1ccc(NC(=O)c2cc(C#N)ccc2F)c(C(=O)[O-])c1F ZINC001597120295 986810014 /nfs/dbraw/zinc/81/00/14/986810014.db2.gz HORKOJGRAIMMKK-UHFFFAOYSA-N -1 0 346.289 3.186 20 30 EGEDRM C[C@H](C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc(F)c(F)c1 ZINC001589541102 987251987 /nfs/dbraw/zinc/25/19/87/987251987.db2.gz YMULVYJFCBCDRR-MGPLVRAMSA-N -1 0 345.301 3.309 20 30 EGEDRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)[C@H](CC#N)c2ccccc2)C1 ZINC001589603703 987443476 /nfs/dbraw/zinc/44/34/76/987443476.db2.gz UGPVALVKNHVXHD-HZPDHXFCSA-N -1 0 328.412 3.033 20 30 EGEDRM CC(C)(C)C[C@H](Nc1nccc(Oc2cccc(C#N)c2)n1)C(=O)[O-] ZINC001589757109 988069543 /nfs/dbraw/zinc/06/95/43/988069543.db2.gz LORCBJQDRPPXGO-AWEZNQCLSA-N -1 0 340.383 3.442 20 30 EGEDRM CCc1nc(C#N)cc(Oc2cc(Br)cc(C(=O)[O-])c2)n1 ZINC001597646943 988671964 /nfs/dbraw/zinc/67/19/64/988671964.db2.gz NQFGVNCGRJUMRY-UHFFFAOYSA-N -1 0 348.156 3.164 20 30 EGEDRM CCc1nnc(NCCCCC2(C(=O)[O-])CCC2)c(C#N)c1CC ZINC001597735526 989078342 /nfs/dbraw/zinc/07/83/42/989078342.db2.gz RMPGYGVCNFTPJD-UHFFFAOYSA-N -1 0 330.432 3.310 20 30 EGEDRM CC(C)(NC(=O)CC1(CC(=O)[O-])CCCC1)c1cccc(C#N)c1 ZINC001590839982 990703015 /nfs/dbraw/zinc/70/30/15/990703015.db2.gz GSNRBTLOGNFRFO-UHFFFAOYSA-N -1 0 328.412 3.335 20 30 EGEDRM CN(C)c1cc(C#N)cc(C(=O)Nc2cc(C(=O)[O-])ccc2Cl)c1 ZINC001598288606 991196836 /nfs/dbraw/zinc/19/68/36/991196836.db2.gz ZGCMVIOLOXMRPP-UHFFFAOYSA-N -1 0 343.770 3.228 20 30 EGEDRM COc1ccnc(CSCc2cccc(C(=O)[O-])c2C#N)c1OC ZINC001599720961 991536087 /nfs/dbraw/zinc/53/60/87/991536087.db2.gz VNTZHVYCTFUMOG-UHFFFAOYSA-N -1 0 344.392 3.102 20 30 EGEDRM COc1ccc2c(c1)CCC[C@H]2CNc1ccc(C(=O)[O-])nc1C#N ZINC001599628047 994177259 /nfs/dbraw/zinc/17/72/59/994177259.db2.gz DUOVYRLQAAXLOK-ZDUSSCGKSA-N -1 0 337.379 3.192 20 30 EGEDRM CNC(=O)c1ccc(/C=C\C(=O)c2ccc(Cl)cc2C(=O)[O-])cc1 ZINC001598656910 994536566 /nfs/dbraw/zinc/53/65/66/994536566.db2.gz YIRZUNOGEKNMFP-WTKPLQERSA-N -1 0 343.766 3.294 20 30 EGEDRM COc1cccc([C@@H](OC(=O)CC2(C#N)CCCCC2)C(=O)[O-])c1 ZINC001599662747 994681230 /nfs/dbraw/zinc/68/12/30/994681230.db2.gz RUWBYJPUDKGRSA-MRXNPFEDSA-N -1 0 331.368 3.228 20 30 EGEDRM C[C@H](OC(=O)[C@@]1(C(=O)[O-])C[C@@H]1c1ccccc1)c1ccc(C#N)cc1 ZINC001593491282 995460974 /nfs/dbraw/zinc/46/09/74/995460974.db2.gz MCDSBOOTCNQLCQ-ZLXGRDSLSA-N -1 0 335.359 3.421 20 30 EGEDRM C[C@H](OC(=O)C1(c2cc(F)cc(C#N)c2)CC1)c1cc(C(=O)[O-])co1 ZINC001593497128 995481570 /nfs/dbraw/zinc/48/15/70/995481570.db2.gz WSZLASILLOBBKS-JTQLQIEISA-N -1 0 343.310 3.325 20 30 EGEDRM C[C@@H](c1cccc(C#N)c1)N(C)C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001593698090 996161149 /nfs/dbraw/zinc/16/11/49/996161149.db2.gz FATXJYFLVJADNH-NSHDSACASA-N -1 0 326.327 3.229 20 30 EGEDRM C[C@@]1(C#N)CCCN([C@H](C(=O)[O-])c2ccccc2Br)C1 ZINC001593742548 996360821 /nfs/dbraw/zinc/36/08/21/996360821.db2.gz AUPPUQJVPFOLDP-ZFWWWQNUSA-N -1 0 337.217 3.200 20 30 EGEDRM COc1ccc(/C=C/C(=O)c2cc(C(=O)[O-])co2)cc1OC1CC1 ZINC001599544770 997904322 /nfs/dbraw/zinc/90/43/22/997904322.db2.gz XLVRCBXCYNQXTM-QHHAFSJGSA-N -1 0 328.320 3.424 20 30 EGEDRM COc1ccc(CN=Nc2nc(C(C)(C)C(=O)[O-])c(C)s2)cc1 ZINC001599544814 997905480 /nfs/dbraw/zinc/90/54/80/997905480.db2.gz ZWANOGPLEUPMKZ-UHFFFAOYSA-N -1 0 333.413 3.268 20 30 EGEDRM COCCOCc1ccc(/C=C\C(=O)c2cc(C(=O)[O-])co2)cc1 ZINC001599253185 998267945 /nfs/dbraw/zinc/26/79/45/998267945.db2.gz QRNIUOYEUCAEPR-SREVYHEPSA-N -1 0 330.336 3.037 20 30 EGEDRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC001594156145 998566675 /nfs/dbraw/zinc/56/66/75/998566675.db2.gz IVIBGEVGMNPLNH-MAUKXSAKSA-N -1 0 348.402 3.413 20 30 EGEDRM C[C@H]1CC[C@](NC(=O)c2sccc2C#N)(C(=O)[O-])c2ccccc21 ZINC001594324298 999250794 /nfs/dbraw/zinc/25/07/94/999250794.db2.gz ZGILVNXURABCGF-BBATYDOGSA-N -1 0 340.404 3.227 20 30 EGEDRM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)c(F)c1 ZINC000359634155 141393058 /nfs/dbraw/zinc/39/30/58/141393058.db2.gz ADMXGRLCVLQJNE-UHFFFAOYSA-N -1 0 340.763 3.160 20 30 EGEDRM Cc1ccc(C#N)c(Sc2n[n-]c(=NCc3ccccc3)s2)n1 ZINC000341346421 155245895 /nfs/dbraw/zinc/24/58/95/155245895.db2.gz PFCROYABACFGHR-UHFFFAOYSA-N -1 0 339.449 3.298 20 30 EGEDRM Cc1c(Cl)cnc(N(C)Cc2nc(=O)c3sccc3[n-]2)c1C#N ZINC000341591299 155372497 /nfs/dbraw/zinc/37/24/97/155372497.db2.gz VXSSYOLRDDFOJG-UHFFFAOYSA-N -1 0 345.815 3.262 20 30 EGEDRM Cc1ccc(F)c(S(=O)(=O)[N-]c2c(C#N)cnn2C2CCCC2)c1 ZINC000337780267 154537678 /nfs/dbraw/zinc/53/76/78/154537678.db2.gz SNKFZKRTGBXGRO-UHFFFAOYSA-N -1 0 348.403 3.118 20 30 EGEDRM C/C=C/c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)cc1 ZINC000341036850 155127112 /nfs/dbraw/zinc/12/71/12/155127112.db2.gz GCMHWDYQUBROAD-DUXPYHPUSA-N -1 0 343.364 3.300 20 30 EGEDRM Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)nc1 ZINC000337125796 163136799 /nfs/dbraw/zinc/13/67/99/163136799.db2.gz FMKKAEQRQNQERF-UHFFFAOYSA-N -1 0 341.314 3.081 20 30 EGEDRM CCCc1ccc(Cl)c(S(=O)(=O)[N-]c2ncccc2C#N)c1 ZINC000340634112 163629131 /nfs/dbraw/zinc/62/91/31/163629131.db2.gz PZGVVGRFZNMQKO-UHFFFAOYSA-N -1 0 335.816 3.360 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2CC(F)(F)F)o1 ZINC000340967116 163704454 /nfs/dbraw/zinc/70/44/54/163704454.db2.gz UASAYFRSDKGXRR-UHFFFAOYSA-N -1 0 330.287 3.057 20 30 EGEDRM N#Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000359416645 167150277 /nfs/dbraw/zinc/15/02/77/167150277.db2.gz SNHPYLQTPDSHOI-UHFFFAOYSA-N -1 0 332.328 3.439 20 30 EGEDRM C[C@@H]1C[C@@H](C(=O)[O-])CN(c2nc3c(cc2C#N)CCCC3(C)C)C1 ZINC000422556643 269861608 /nfs/dbraw/zinc/86/16/08/269861608.db2.gz GHPLDKXYRXSQTR-IUODEOHRSA-N -1 0 327.428 3.114 20 30 EGEDRM N#Cc1cnc2c(F)c(F)c(F)cc2c1NCCCCCC(=O)[O-] ZINC000416424448 270047537 /nfs/dbraw/zinc/04/75/37/270047537.db2.gz CZRHDXAAKNMWDU-UHFFFAOYSA-N -1 0 337.301 3.003 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(F)c2)s1 ZINC000435498258 270051305 /nfs/dbraw/zinc/05/13/05/270051305.db2.gz VHIRCUWZPXPVCR-UHFFFAOYSA-N -1 0 348.327 3.161 20 30 EGEDRM N#Cc1c(F)cccc1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000187533289 265607312 /nfs/dbraw/zinc/60/73/12/265607312.db2.gz ZHYSTRIZPCAISN-UHFFFAOYSA-N -1 0 335.678 3.217 20 30 EGEDRM COc1ccc(Br)cc1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000188351626 265671297 /nfs/dbraw/zinc/67/12/97/265671297.db2.gz DBOFNMLKQJZYNY-UHFFFAOYSA-N -1 0 347.168 3.287 20 30 EGEDRM CCCc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)cc1OC ZINC000184802112 266084135 /nfs/dbraw/zinc/08/41/35/266084135.db2.gz BRODFDAAKXCKGX-UHFFFAOYSA-N -1 0 330.409 3.320 20 30 EGEDRM CC1(C)Cc2cccc(S(=O)(=O)[N-]c3ccc(F)c(C#N)c3)c2O1 ZINC000195504716 266185436 /nfs/dbraw/zinc/18/54/36/266185436.db2.gz WHSAQEIAOVMHCD-UHFFFAOYSA-N -1 0 346.383 3.212 20 30 EGEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1n[nH]c2c1cccc2Cl ZINC000178831826 267312230 /nfs/dbraw/zinc/31/22/30/267312230.db2.gz BHXVKXZHBXRIQX-UHFFFAOYSA-N -1 0 346.799 3.197 20 30 EGEDRM N#Cc1cc(Cl)cc(Br)c1N1CCC(C(=O)[O-])CC1 ZINC000416394322 268180080 /nfs/dbraw/zinc/18/00/80/268180080.db2.gz WXBINRBTNQKOHH-UHFFFAOYSA-N -1 0 343.608 3.275 20 30 EGEDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc(C#N)ccc2C)cc1C ZINC000063878477 307356228 /nfs/dbraw/zinc/35/62/28/307356228.db2.gz CVUGRXFOUVNKCX-UHFFFAOYSA-N -1 0 345.380 3.193 20 30 EGEDRM CC(C)c1ccc(S(=O)(=O)[N-]c2nn(C(C)C)cc2C#N)cc1 ZINC000160669255 307893473 /nfs/dbraw/zinc/89/34/73/307893473.db2.gz UWMLZQKMWJHZET-UHFFFAOYSA-N -1 0 332.429 3.260 20 30 EGEDRM N#Cc1cccc(CSc2n[n-]c(=NCC(F)(F)F)s2)c1F ZINC000513230789 312205127 /nfs/dbraw/zinc/20/51/27/312205127.db2.gz DYTCEUVKXFOVHB-UHFFFAOYSA-N -1 0 348.350 3.237 20 30 EGEDRM CC(C)c1nc2cc([N-]S(=O)(=O)c3ccc(C#N)o3)ccc2o1 ZINC000571358019 317187330 /nfs/dbraw/zinc/18/73/30/317187330.db2.gz IERIKPUSEFQLON-UHFFFAOYSA-N -1 0 331.353 3.217 20 30 EGEDRM CC(C)CCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)o2)cc1 ZINC000577945305 324892260 /nfs/dbraw/zinc/89/22/60/324892260.db2.gz VAZWWXAMCNRMIT-UHFFFAOYSA-N -1 0 334.397 3.377 20 30 EGEDRM N#Cc1cccc(NC(=O)N([C@@H](Cc2ccccc2)C(=O)[O-])C2CC2)c1 ZINC000583671024 325541767 /nfs/dbraw/zinc/54/17/67/325541767.db2.gz HXZXYGCFHMRLEU-SFHVURJKSA-N -1 0 349.390 3.250 20 30 EGEDRM O=C([O-])c1ccc(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000238032409 455247167 /nfs/dbraw/zinc/24/71/67/455247167.db2.gz RSVGUUJXTFDZDT-UHFFFAOYSA-N -1 0 347.292 3.185 20 30 EGEDRM COCCOc1cccc(C([O-])=C(C#N)c2nc3ccccc3o2)c1 ZINC000066516496 453849383 /nfs/dbraw/zinc/84/93/83/453849383.db2.gz QTLFOCSINFAOIS-OAHLLOKOSA-N -1 0 336.347 3.343 20 30 EGEDRM Cc1nn(C)c2nc(C)c(C([O-])=C(C#N)c3nc4ccccc4o3)cc12 ZINC000041539755 453971169 /nfs/dbraw/zinc/97/11/69/453971169.db2.gz BBFWCYIUCNOMOC-AWEZNQCLSA-N -1 0 345.362 3.216 20 30 EGEDRM COc1ccc([N+](=O)[O-])cc1C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000041543769 453971603 /nfs/dbraw/zinc/97/16/03/453971603.db2.gz ARMQBYOUSOWLFP-LBPRGKRZSA-N -1 0 337.291 3.235 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2)c(C(F)(F)F)c1 ZINC000055546499 453993396 /nfs/dbraw/zinc/99/33/96/453993396.db2.gz JVKCGUVPDJCKJH-UHFFFAOYSA-N -1 0 326.299 3.378 20 30 EGEDRM COc1ccccc1S(=O)(=O)[N-]c1cccc(OCCCC#N)c1 ZINC000055640080 454001666 /nfs/dbraw/zinc/00/16/66/454001666.db2.gz LZOOWOUCZLMBKN-UHFFFAOYSA-N -1 0 346.408 3.179 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]C(=O)C2CCC2)sc1Br ZINC000084852145 454012840 /nfs/dbraw/zinc/01/28/40/454012840.db2.gz BBSPPOWGXTWWLK-UHFFFAOYSA-N -1 0 338.248 3.264 20 30 EGEDRM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000076935488 454049931 /nfs/dbraw/zinc/04/99/31/454049931.db2.gz GYCUNWQPHQHPLC-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccccc1Cl ZINC000057125720 454104409 /nfs/dbraw/zinc/10/44/09/454104409.db2.gz BEDMTEJCIMCEIH-UHFFFAOYSA-N -1 0 336.800 3.411 20 30 EGEDRM O=C(C=Cc1ccc([N+](=O)[O-])cc1)[N-]S(=O)(=O)C1CCCCC1 ZINC000058071733 454162846 /nfs/dbraw/zinc/16/28/46/454162846.db2.gz LLIBLYRMIZNXGO-DHZHZOJOSA-N -1 0 338.385 3.227 20 30 EGEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cc(-c2cccs2)[nH]n1 ZINC000077888165 454166971 /nfs/dbraw/zinc/16/69/71/454166971.db2.gz PRGFASYOFMEWSV-UHFFFAOYSA-N -1 0 344.421 3.119 20 30 EGEDRM C=CCCC(=O)N[C@@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000095969852 454243805 /nfs/dbraw/zinc/24/38/05/454243805.db2.gz WWWHDTHSIMFXMW-LBPRGKRZSA-N -1 0 326.190 3.047 20 30 EGEDRM CC(=O)c1ccc(S(=O)(=O)[N-]C(=O)C=Cc2cccc(F)c2)cc1 ZINC000046929517 454302397 /nfs/dbraw/zinc/30/23/97/454302397.db2.gz CJEYWKMNEKLWPY-BJMVGYQFSA-N -1 0 347.367 3.387 20 30 EGEDRM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C)c(C)s1 ZINC000091018723 454363423 /nfs/dbraw/zinc/36/34/23/454363423.db2.gz JTSYYKRONDBNSS-UHFFFAOYSA-N -1 0 335.454 3.469 20 30 EGEDRM CCC[C@H](C)CS(=O)(=O)[N-]C(=O)C=Cc1ccc(Cl)nc1 ZINC000091443576 454436592 /nfs/dbraw/zinc/43/65/92/454436592.db2.gz XLIWYPSQAFXTAP-IOCXFXADSA-N -1 0 330.837 3.471 20 30 EGEDRM C=CCNC(=O)c1ccc(NC(=O)c2cc(F)cc(Cl)c2[O-])cc1 ZINC000121541317 454448980 /nfs/dbraw/zinc/44/89/80/454448980.db2.gz WUPDPRYXNIKRKV-UHFFFAOYSA-N -1 0 348.761 3.353 20 30 EGEDRM O=C(CC[C@H]1CCCO1)[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000048408447 454486852 /nfs/dbraw/zinc/48/68/52/454486852.db2.gz TWSUMNJGBVTICK-OAHLLOKOSA-N -1 0 333.409 3.444 20 30 EGEDRM N#CC(=C([O-])c1ccc(C#N)c(Cl)c1)c1nnc2n1CCCCC2 ZINC000123948237 454689452 /nfs/dbraw/zinc/68/94/52/454689452.db2.gz GFPIUMKEEPFANF-ZDUSSCGKSA-N -1 0 339.786 3.020 20 30 EGEDRM CC(C)(C)n1cc(C#N)c([N-]S(=O)(=O)c2ccc(Cl)s2)n1 ZINC000178732960 454971176 /nfs/dbraw/zinc/97/11/76/454971176.db2.gz MHUVQWXDVWPDDZ-UHFFFAOYSA-N -1 0 344.849 3.025 20 30 EGEDRM CC1CCC(NC(=O)Cn2[n-]c(C(C)(C)C)c(CCC#N)c2=O)CC1 ZINC000151837308 455037408 /nfs/dbraw/zinc/03/74/08/455037408.db2.gz RUOCZRYCKQZWAZ-UHFFFAOYSA-N -1 0 346.475 3.037 20 30 EGEDRM N#CC(=C([O-])c1ccc(OCC(F)F)nc1)c1nc2ccccc2o1 ZINC000179457840 455049270 /nfs/dbraw/zinc/04/92/70/455049270.db2.gz SRHWQGYKLSNKSB-NSHDSACASA-N -1 0 343.289 3.357 20 30 EGEDRM C=CCC[C@H](NC(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1)c1ccccc1 ZINC000626757550 460659585 /nfs/dbraw/zinc/65/95/85/460659585.db2.gz XLUJMUMBJOFTSC-XIRDDKMYSA-N -1 0 330.428 3.446 20 30 EGEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1nc2c(s1)CCCC2 ZINC000172253385 455140010 /nfs/dbraw/zinc/14/00/10/455140010.db2.gz RCYZNFYTWBCBNH-UHFFFAOYSA-N -1 0 333.438 3.003 20 30 EGEDRM Cc1noc(-c2ccccc2)c1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000183346199 455280738 /nfs/dbraw/zinc/28/07/38/455280738.db2.gz IHCXCZZUVIUUTA-UHFFFAOYSA-N -1 0 339.376 3.323 20 30 EGEDRM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1ccsc1 ZINC000174734553 455413811 /nfs/dbraw/zinc/41/38/11/455413811.db2.gz WZAKIXXXGSGBHV-UHFFFAOYSA-N -1 0 332.328 3.439 20 30 EGEDRM C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)[N-]OC1CCCC1 ZINC000271664317 455716573 /nfs/dbraw/zinc/71/65/73/455716573.db2.gz LEPHBQSFQVOHQJ-LBPRGKRZSA-N -1 0 347.440 3.010 20 30 EGEDRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccccc2CC#N)c1 ZINC000193360984 455754602 /nfs/dbraw/zinc/75/46/02/455754602.db2.gz COJOHVOTGUGPRK-UHFFFAOYSA-N -1 0 337.404 3.410 20 30 EGEDRM C=CCOc1cccc(/C=C\c2ncc([N+](=O)[O-])cc2C(=O)[O-])c1 ZINC000255118422 455861138 /nfs/dbraw/zinc/86/11/38/455861138.db2.gz RRFXCOUYAJYOQT-SREVYHEPSA-N -1 0 326.308 3.423 20 30 EGEDRM CCCCCCCS(=O)(=O)[N-]c1nc(C(=O)OCC)cs1 ZINC000194786908 455883830 /nfs/dbraw/zinc/88/38/30/455883830.db2.gz YXVFUWXTHRXVCA-UHFFFAOYSA-N -1 0 334.463 3.032 20 30 EGEDRM N#Cc1cc(CSc2nc(=O)cc([O-])n2C2CCCC2)ccc1F ZINC000195019560 455913617 /nfs/dbraw/zinc/91/36/17/455913617.db2.gz ZFRLEDPBKRXAKQ-UHFFFAOYSA-N -1 0 345.399 3.367 20 30 EGEDRM CC(C)c1nc(-c2ccccc2NC(=O)c2ccc(C#N)c([O-])c2)n[nH]1 ZINC000188365166 456051555 /nfs/dbraw/zinc/05/15/55/456051555.db2.gz QGEGEOFLECRWFJ-UHFFFAOYSA-N -1 0 347.378 3.425 20 30 EGEDRM C=CCC[C@@H](NC(=O)CCCc1nc2ccccc2s1)C(=O)[O-] ZINC000262924493 456068719 /nfs/dbraw/zinc/06/87/19/456068719.db2.gz OIHQRGSZAIWCJH-CYBMUJFWSA-N -1 0 332.425 3.155 20 30 EGEDRM C=CCC[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000262932904 456069953 /nfs/dbraw/zinc/06/99/53/456069953.db2.gz PCHLWLIWBLIVJC-MJBXVCDLSA-N -1 0 341.329 3.345 20 30 EGEDRM COCCOCCOCCC/N=C/c1c(O)ccc2ccccc21 ZINC000274339145 456256563 /nfs/dbraw/zinc/25/65/63/456256563.db2.gz ARGJVWVKWPLXAB-HMMYKYKNSA-N -1 0 331.412 3.034 20 30 EGEDRM C=CCN=c1[n-]nc(SCc2ccc(C(F)(F)F)cn2)s1 ZINC000340596600 456556551 /nfs/dbraw/zinc/55/65/51/456556551.db2.gz KUFDYPGDUDPYHO-UHFFFAOYSA-N -1 0 332.376 3.264 20 30 EGEDRM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccccc1CC#N ZINC000337879610 456584450 /nfs/dbraw/zinc/58/44/50/456584450.db2.gz XEBWTLGVDJFBMT-UHFFFAOYSA-N -1 0 336.800 3.215 20 30 EGEDRM Cc1cc(Cl)cc([N-]S(=O)(=O)c2ccc(C#N)cc2C)c1O ZINC000319982447 456625357 /nfs/dbraw/zinc/62/53/57/456625357.db2.gz MDJGLYHNYWPWTC-UHFFFAOYSA-N -1 0 336.800 3.335 20 30 EGEDRM N#CC(=C([O-])c1cnn2ccccc12)c1nc(-c2ccncc2)cs1 ZINC000343482468 456651178 /nfs/dbraw/zinc/65/11/78/456651178.db2.gz HDXJHYPSSZQTMM-ZDUSSCGKSA-N -1 0 345.387 3.343 20 30 EGEDRM N#Cc1cncc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cc2)c1 ZINC000326701041 456698503 /nfs/dbraw/zinc/69/85/03/456698503.db2.gz XDJQRJWHVXUGAG-UHFFFAOYSA-N -1 0 335.388 3.421 20 30 EGEDRM C[C@@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])[C@H]1OCCc2sccc21 ZINC000292192125 456880818 /nfs/dbraw/zinc/88/08/18/456880818.db2.gz ZBMAKAQQPNWXHI-SBOKLXEWSA-N -1 0 332.381 3.483 20 30 EGEDRM N#CCCCCS(=O)(=O)[N-][C@H](c1ccc(F)cc1)C(F)(F)F ZINC000345113409 456930113 /nfs/dbraw/zinc/93/01/13/456930113.db2.gz RQLDLIUERQDEEJ-GFCCVEGCSA-N -1 0 338.326 3.042 20 30 EGEDRM N#CCc1cccc(C(=O)Nc2ccc3c(ccn3CC(=O)[O-])c2)c1 ZINC000362629030 457014911 /nfs/dbraw/zinc/01/49/11/457014911.db2.gz XQAAGKAIDGSXLX-UHFFFAOYSA-N -1 0 333.347 3.044 20 30 EGEDRM COC(=O)c1ccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)n1C ZINC000346417714 457041401 /nfs/dbraw/zinc/04/14/01/457041401.db2.gz OZSJFPHUBAXORG-JTQLQIEISA-N -1 0 345.424 3.056 20 30 EGEDRM Cn1ncc(C(=O)Nc2c([O-])c(Cl)cc(Cl)c2Cl)c1C#N ZINC000356688007 457119131 /nfs/dbraw/zinc/11/91/31/457119131.db2.gz ZCMBTCKFMRTQMT-UHFFFAOYSA-N -1 0 345.573 3.210 20 30 EGEDRM Cc1occc1-c1cc([N-]S(=O)(=O)c2ccc(C#N)cc2C)no1 ZINC000362870936 457134286 /nfs/dbraw/zinc/13/42/86/457134286.db2.gz AQPWBXXYXWNFGW-UHFFFAOYSA-N -1 0 343.364 3.224 20 30 EGEDRM C[C@@H]1CCC[C@H](CNC(=O)N=c2[n-]nc(CC(F)(F)F)s2)C1 ZINC000331170615 457141830 /nfs/dbraw/zinc/14/18/30/457141830.db2.gz NTWLIOYNAHDFFJ-BDAKNGLRSA-N -1 0 336.383 3.217 20 30 EGEDRM CCCc1noc2nc(C3CC3)cc(C([O-])=C(C#N)c3ccncn3)c12 ZINC000354457260 457235516 /nfs/dbraw/zinc/23/55/16/457235516.db2.gz AIPFYHLLWFTEJQ-CYBMUJFWSA-N -1 0 347.378 3.333 20 30 EGEDRM COc1ccccc1Nc1ncccc1C([O-])=C(C#N)c1ccncn1 ZINC000354461564 457238080 /nfs/dbraw/zinc/23/80/80/457238080.db2.gz GBAAIGXAONIWNA-AWEZNQCLSA-N -1 0 345.362 3.114 20 30 EGEDRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N[C@@H]3CCC[C@@H]3C#N)n2)c1 ZINC000332142162 457312189 /nfs/dbraw/zinc/31/21/89/457312189.db2.gz NSPMEZJUUUQFBE-GDBMZVCRSA-N -1 0 338.411 3.123 20 30 EGEDRM CCOC(=O)c1cnc(/C=C\c2cccc(F)c2C#N)c(C(=O)[O-])c1 ZINC000357084285 457313223 /nfs/dbraw/zinc/31/32/23/457313223.db2.gz PMLDJHAAUXAFIA-SREVYHEPSA-N -1 0 340.310 3.138 20 30 EGEDRM CCCc1cc(C([O-])=C(C#N)c2nc(C(=O)OCC)cs2)ccn1 ZINC000354966262 457331836 /nfs/dbraw/zinc/33/18/36/457331836.db2.gz MLLXCDIPZFNUNE-CYBMUJFWSA-N -1 0 343.408 3.157 20 30 EGEDRM N#Cc1cc(F)c(S(=O)(=O)[N-][C@H](c2ccccc2)C2CC2)c(F)c1 ZINC000342601924 457395025 /nfs/dbraw/zinc/39/50/25/457395025.db2.gz LHIGEVPJMPAHNW-MRXNPFEDSA-N -1 0 348.374 3.266 20 30 EGEDRM C=CCC1(C(=O)Nc2cccc(CSCC(=O)[O-])c2)CCOCC1 ZINC000425244241 457469656 /nfs/dbraw/zinc/46/96/56/457469656.db2.gz RTLUWMBBIJDMJX-UHFFFAOYSA-N -1 0 349.452 3.316 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)c2cccc3cccnc32)cc1F ZINC000357461451 457543968 /nfs/dbraw/zinc/54/39/68/457543968.db2.gz CKBQFGCXEWXLHU-UHFFFAOYSA-N -1 0 327.340 3.046 20 30 EGEDRM Cc1nc(-c2ccc([N-]S(=O)(=O)c3ccc(C#N)o3)cc2)cs1 ZINC000361120247 457594557 /nfs/dbraw/zinc/59/45/57/457594557.db2.gz QNYLIYDWVPCYMQ-UHFFFAOYSA-N -1 0 345.405 3.384 20 30 EGEDRM Cc1nn(CC(F)(F)F)cc1C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000357809541 457698346 /nfs/dbraw/zinc/69/83/46/457698346.db2.gz PDHCXGNFXLCRSO-SNVBAGLBSA-N -1 0 348.284 3.385 20 30 EGEDRM Cc1nn(C)c2nc(C([O-])=C(C#N)c3nccc4ccccc43)ccc12 ZINC000361528552 457773198 /nfs/dbraw/zinc/77/31/98/457773198.db2.gz AIAVRRRYVJSSDF-INIZCTEOSA-N -1 0 341.374 3.315 20 30 EGEDRM Cc1cn2ccnc(C([O-])=C(C#N)c3nc(C(C)C)cs3)c2n1 ZINC000433189656 457773367 /nfs/dbraw/zinc/77/33/67/457773367.db2.gz OJRMQEMHJBKHRX-LLVKDONJSA-N -1 0 325.397 3.108 20 30 EGEDRM N#CC(=C([O-])c1c[nH]nc1-c1ccc(Cl)s1)c1ccncn1 ZINC000426915279 457925681 /nfs/dbraw/zinc/92/56/81/457925681.db2.gz VIEHAVXKUSXKKB-MRVPVSSYSA-N -1 0 329.772 3.072 20 30 EGEDRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N[C@@H](C#N)C(C)(C)C)n2)cc1 ZINC000427393277 457981872 /nfs/dbraw/zinc/98/18/72/457981872.db2.gz YCEZNBCOQWECJZ-INIZCTEOSA-N -1 0 340.427 3.369 20 30 EGEDRM COc1cc(NS(=O)(=O)c2ccccc2CC#N)c(C)cc1C ZINC000358493837 458036828 /nfs/dbraw/zinc/03/68/28/458036828.db2.gz IOXVOHQXDQLSLP-UHFFFAOYSA-N -1 0 330.409 3.179 20 30 EGEDRM C=CCC[C@H](NC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1)c1ccccc1 ZINC000435723608 458189553 /nfs/dbraw/zinc/18/95/53/458189553.db2.gz TWWZERHIGONOCC-KRWDZBQOSA-N -1 0 349.390 3.467 20 30 EGEDRM Cc1ccccc1-c1cc([N-]S(=O)(=O)c2cccc(C#N)c2)n[nH]1 ZINC000362593802 458288286 /nfs/dbraw/zinc/28/82/86/458288286.db2.gz QOQKYATWAPQBHV-UHFFFAOYSA-N -1 0 338.392 3.058 20 30 EGEDRM C=CCOc1cccnc1C(=O)Nc1cc(C(=O)CC)ccc1[O-] ZINC000436650757 458352982 /nfs/dbraw/zinc/35/29/82/458352982.db2.gz BSNLHPDBCJIAFP-UHFFFAOYSA-N -1 0 326.352 3.197 20 30 EGEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1cnn(CCC(C)C)c1C(C)C ZINC000416952753 458358192 /nfs/dbraw/zinc/35/81/92/458358192.db2.gz HCYKTSYHCCJHNP-ZDUSSCGKSA-N -1 0 326.466 3.096 20 30 EGEDRM N#CC1(CNC(=O)N=c2nc(-c3cccc(Cl)c3)[n-]s2)CCC1 ZINC000416982073 458358387 /nfs/dbraw/zinc/35/83/87/458358387.db2.gz BARHNHHPGNEPSR-UHFFFAOYSA-N -1 0 347.831 3.096 20 30 EGEDRM N#CCCN(CC1CC1)C(=O)c1cc(F)cc(Br)c1[O-] ZINC000436892402 458401253 /nfs/dbraw/zinc/40/12/53/458401253.db2.gz LJNWOALVLVIYKR-UHFFFAOYSA-N -1 0 341.180 3.060 20 30 EGEDRM C=CCC[C@@H](NC(=O)CCc1ccc(-c2ccccc2)o1)C(=O)[O-] ZINC000448998154 458418281 /nfs/dbraw/zinc/41/82/81/458418281.db2.gz WAWJRONQJNRCFF-MRXNPFEDSA-N -1 0 327.380 3.415 20 30 EGEDRM N#CC(=C([O-])c1ccc(C(N)=O)o1)c1nc2cc(Cl)ccc2s1 ZINC000437378284 458449871 /nfs/dbraw/zinc/44/98/71/458449871.db2.gz ZTXAQOHRVKEMSA-QMMMGPOBSA-N -1 0 345.767 3.132 20 30 EGEDRM C=CCN=c1[n-]nc(S[C@@H](C(=O)C2CC2)c2ccccc2)s1 ZINC000424089179 458557006 /nfs/dbraw/zinc/55/70/06/458557006.db2.gz VJOZJKOTDRTCMK-CQSZACIVSA-N -1 0 331.466 3.370 20 30 EGEDRM C=C(C)[C@H](NC(=O)NCCC(C)(C)C(=O)[O-])c1ccc(F)c(F)c1 ZINC000424451186 458646325 /nfs/dbraw/zinc/64/63/25/458646325.db2.gz OKCFLKSQLWKQJA-AWEZNQCLSA-N -1 0 340.370 3.382 20 30 EGEDRM C=CCOc1cc(OC)ccc1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000431974279 458655650 /nfs/dbraw/zinc/65/56/50/458655650.db2.gz QRHNMLUTUDMBLP-UHFFFAOYSA-N -1 0 341.363 3.139 20 30 EGEDRM C=C[C@@H](CC(=O)Nc1ccc(OCC(=O)[O-])cc1)c1ccccc1 ZINC000431992802 458658402 /nfs/dbraw/zinc/65/84/02/458658402.db2.gz GZGQNXGUXJHPIC-AWEZNQCLSA-N -1 0 325.364 3.448 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2cccc(S(=O)(=O)C(C)C)c2)n1 ZINC000546740540 458670103 /nfs/dbraw/zinc/67/01/03/458670103.db2.gz QMJRIXJRRCLYNV-AWEZNQCLSA-N -1 0 348.449 3.124 20 30 EGEDRM C=CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000505800620 458747395 /nfs/dbraw/zinc/74/73/95/458747395.db2.gz CZJWYSFVJBPVHH-UHFFFAOYSA-N -1 0 345.420 3.070 20 30 EGEDRM C=CCN(Cc1cccs1)C(=O)N=c1ccc(C(F)(F)F)n[n-]1 ZINC000471970111 458758290 /nfs/dbraw/zinc/75/82/90/458758290.db2.gz MCIRGIIDHBGFBP-UHFFFAOYSA-N -1 0 342.346 3.199 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(C)cc2OC)n1 ZINC000548053765 458829208 /nfs/dbraw/zinc/82/92/08/458829208.db2.gz VNAFATWJOSCUTI-GFCCVEGCSA-N -1 0 344.392 3.127 20 30 EGEDRM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3csc(CC(C)C)n3)nc1-2 ZINC000530946829 458848839 /nfs/dbraw/zinc/84/88/39/458848839.db2.gz QMPFUWBVEZUTJS-NSHDSACASA-N -1 0 339.424 3.411 20 30 EGEDRM N#C[C@H]1CC[C@@H](Sc2n[n-]c(=NCCc3ccccc3)s2)C1 ZINC000556235233 458939906 /nfs/dbraw/zinc/93/99/06/458939906.db2.gz YNYWVMIPTBNYGY-UONOGXRCSA-N -1 0 330.482 3.399 20 30 EGEDRM C=CCOc1cccc(CN=c2[n-]nc(-c3ccccc3OC)o2)c1 ZINC000576962397 458956366 /nfs/dbraw/zinc/95/63/66/458956366.db2.gz AZBREFHECKKACO-UHFFFAOYSA-N -1 0 337.379 3.344 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2cnn(C)c2Cc2ccccc2)n1 ZINC000577575517 459052240 /nfs/dbraw/zinc/05/22/40/459052240.db2.gz GSWFUHZVXKUCCK-AWEZNQCLSA-N -1 0 336.420 3.266 20 30 EGEDRM CC(C)CCOc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)nc1 ZINC000594467311 459055031 /nfs/dbraw/zinc/05/50/31/459055031.db2.gz ULVUWOSWUWOMRQ-UHFFFAOYSA-N -1 0 345.424 3.179 20 30 EGEDRM Cc1cc([C@H](NC(=O)NCC2(C#N)CCCCC2)C(=O)[O-])ccc1F ZINC000594691203 459131492 /nfs/dbraw/zinc/13/14/92/459131492.db2.gz RLCUGTVBGBTWLV-HNNXBMFYSA-N -1 0 347.390 3.033 20 30 EGEDRM C=CCC[C@@H](NC(=O)c1cc(Br)cc(C)c1C)C(=O)[O-] ZINC000580659280 459263415 /nfs/dbraw/zinc/26/34/15/459263415.db2.gz NUMRGSBOZIHGGV-CYBMUJFWSA-N -1 0 340.217 3.215 20 30 EGEDRM CC(C)(C)OC(=O)NCCCCCN=Nc1ccc(C(=O)[O-])cc1 ZINC000496639807 459270078 /nfs/dbraw/zinc/27/00/78/459270078.db2.gz KWVOVJPKRJGBCQ-UHFFFAOYSA-N -1 0 335.404 3.478 20 30 EGEDRM C=CCCC(=O)CSc1n[n-]c(=NCCc2ccccc2)s1 ZINC000535692312 459357084 /nfs/dbraw/zinc/35/70/84/459357084.db2.gz APDRVUNPZZKNDL-UHFFFAOYSA-N -1 0 333.482 3.242 20 30 EGEDRM N#C[C@H](NC(=O)c1cccc(Br)c1[O-])C1CCCCC1 ZINC000537673597 459367782 /nfs/dbraw/zinc/36/77/82/459367782.db2.gz ARHKRTPRYRFFSM-ZDUSSCGKSA-N -1 0 337.217 3.357 20 30 EGEDRM C=CCOc1ccc(CN=c2[n-]nc(CCCC)s2)cc1OC ZINC000538608269 459372046 /nfs/dbraw/zinc/37/20/46/459372046.db2.gz JCPVAPHMHXTZRA-UHFFFAOYSA-N -1 0 333.457 3.488 20 30 EGEDRM C=CC[C@@H](CO)CN=c1[n-]c(-c2cc(Cl)cc(Cl)c2)no1 ZINC000540349625 459380381 /nfs/dbraw/zinc/38/03/81/459380381.db2.gz CUAKKXRYRNYYSB-SECBINFHSA-N -1 0 328.199 3.062 20 30 EGEDRM C=CCOc1ccc(CNC(=O)N=c2[n-]nc(C(C)(C)C)s2)cc1 ZINC000562133384 459513875 /nfs/dbraw/zinc/51/38/75/459513875.db2.gz KDAUKJJKNLMQLO-UHFFFAOYSA-N -1 0 346.456 3.144 20 30 EGEDRM C[S@](=O)Cc1cccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)c1 ZINC000592399095 459592215 /nfs/dbraw/zinc/59/22/15/459592215.db2.gz MMGOOGYXWQMNBS-PSLXWICFSA-N -1 0 344.461 3.389 20 30 EGEDRM CNc1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cc1[N+](=O)[O-] ZINC000592399836 459593303 /nfs/dbraw/zinc/59/33/03/459593303.db2.gz WJVATXMTEDVLGO-NSHDSACASA-N -1 0 342.380 3.460 20 30 EGEDRM CCOc1cccc(-c2cc(C#N)cc(OCC)c2OCC(=O)[O-])c1 ZINC000572975948 459606095 /nfs/dbraw/zinc/60/60/95/459606095.db2.gz HCKIHEHDXAJFLX-UHFFFAOYSA-N -1 0 341.363 3.486 20 30 EGEDRM C=C(C)[C@H]1OCC[C@@H]1CNc1nc(C)nc2sc(C(=O)[O-])c(C)c21 ZINC000573254039 459649897 /nfs/dbraw/zinc/64/98/97/459649897.db2.gz OBYZVFQFFYEEQZ-DGCLKSJQSA-N -1 0 347.440 3.399 20 30 EGEDRM C#C[C@H](NC(=O)NCCCCCC(=O)[O-])c1ccc(Cl)cc1F ZINC000491709003 459659259 /nfs/dbraw/zinc/65/92/59/459659259.db2.gz OGAXWWBEENDJGG-AWEZNQCLSA-N -1 0 340.782 3.098 20 30 EGEDRM CC(C)(CCC#N)CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000565024226 459780468 /nfs/dbraw/zinc/78/04/68/459780468.db2.gz JRTRDFMNWPQIOU-UHFFFAOYSA-N -1 0 325.752 3.014 20 30 EGEDRM C=CCC[C@H](NC(=O)NCc1ccc(OCCC)cc1C)C(=O)[O-] ZINC000565994985 459790444 /nfs/dbraw/zinc/79/04/44/459790444.db2.gz SSSUUGNYWDYGEL-INIZCTEOSA-N -1 0 334.416 3.002 20 30 EGEDRM C=CCCCNc1nc(CN(C)C)nc2sc(C(=O)[O-])c(C)c21 ZINC000574455588 459820312 /nfs/dbraw/zinc/82/03/12/459820312.db2.gz FAGSZUJWVKMSOL-UHFFFAOYSA-N -1 0 334.445 3.138 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2ccc(C(=O)OC(C)(C)C)nc2)n1 ZINC000593453615 459893553 /nfs/dbraw/zinc/89/35/53/459893553.db2.gz IVIUAGDOAQXGFO-GFCCVEGCSA-N -1 0 343.408 3.292 20 30 EGEDRM N#CC(=C([O-])c1ccc([N+](=O)[O-])[nH]1)c1nc2cc(F)ccc2s1 ZINC000609322064 459943636 /nfs/dbraw/zinc/94/36/36/459943636.db2.gz WTRIXPQRPNWJDJ-QMMMGPOBSA-N -1 0 330.300 3.162 20 30 EGEDRM Cc1cccc(N=c2[n-]nc(SC[C@H](O)CC(C)(C)C#N)s2)c1 ZINC000598704543 460001575 /nfs/dbraw/zinc/00/15/75/460001575.db2.gz RJFMIOIPLOKOSS-CYBMUJFWSA-N -1 0 348.497 3.405 20 30 EGEDRM CC[C@H](C#N)C([O-])=Nc1nc(-c2ccccc2C(F)(F)F)ns1 ZINC000598767398 460026472 /nfs/dbraw/zinc/02/64/72/460026472.db2.gz JQKPCVQAEPFPEW-MRVPVSSYSA-N -1 0 340.330 3.134 20 30 EGEDRM CC(C)[C@H](CNC(=O)Nc1ccccc1SC[C@H](C)C#N)C(=O)[O-] ZINC000593956679 460026844 /nfs/dbraw/zinc/02/68/44/460026844.db2.gz PTUPNEMIHINKJC-OLZOCXBDSA-N -1 0 349.456 3.417 20 30 EGEDRM CC(C)(C)c1cnc([N-]S(=O)(=O)c2cccc(CC#N)c2)s1 ZINC000589585968 460105702 /nfs/dbraw/zinc/10/57/02/460105702.db2.gz ZBIQRNKYDZYYGB-UHFFFAOYSA-N -1 0 335.454 3.307 20 30 EGEDRM CN(Cc1ccccc1-c1ccccc1)C(=O)N=c1[n-]n(C)cc1C#N ZINC000610560685 460184206 /nfs/dbraw/zinc/18/42/06/460184206.db2.gz HXUVWSNVYSXUAH-UHFFFAOYSA-N -1 0 345.406 3.045 20 30 EGEDRM CCc1ccc([C@H]2CCCCCN2C(=O)N=c2[n-]n(C)cc2C#N)o1 ZINC000610562936 460184440 /nfs/dbraw/zinc/18/44/40/460184440.db2.gz LKFXUPUOLYJAEJ-OAHLLOKOSA-N -1 0 341.415 3.018 20 30 EGEDRM CCc1cccc(CC)c1S(=O)(=O)[N-]c1cc(C)n(CCC#N)n1 ZINC000611247718 460316246 /nfs/dbraw/zinc/31/62/46/460316246.db2.gz INHNPBWMMBSTER-UHFFFAOYSA-N -1 0 346.456 3.031 20 30 EGEDRM N#CCc1cccc(S(=O)(=O)[N-]c2cc(-c3cccs3)[nH]n2)c1 ZINC000619463326 460362990 /nfs/dbraw/zinc/36/29/90/460362990.db2.gz IYTYEJQRMINBKB-UHFFFAOYSA-N -1 0 344.421 3.005 20 30 EGEDRM C=CC[C@H]1CCCN(C(=O)c2nn(-c3cccc(F)c3)cc2[O-])C1 ZINC000617779302 460974361 /nfs/dbraw/zinc/97/43/61/460974361.db2.gz YIMOYZIDNGHKNO-ZDUSSCGKSA-N -1 0 329.375 3.145 20 30 EGEDRM C=C(C)[C@@H](NC(=O)NC[C@H](C(=O)[O-])C(C)C)c1ccc(F)c(F)c1 ZINC000655874936 461516063 /nfs/dbraw/zinc/51/60/63/461516063.db2.gz BSQRCWSVELPEJN-SWLSCSKDSA-N -1 0 340.370 3.238 20 30 EGEDRM CC(=O)Nc1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cc1 ZINC000647371605 461663895 /nfs/dbraw/zinc/66/38/95/461663895.db2.gz UWSHZUSLIMQBFC-CQSZACIVSA-N -1 0 325.393 3.469 20 30 EGEDRM Cc1ccc(-n2cc(C([O-])=C(C#N)c3nc(C4CC4)cs3)nn2)cc1 ZINC000647377218 461666798 /nfs/dbraw/zinc/66/67/98/461666798.db2.gz YCTJFTPDJGIRMI-CQSZACIVSA-N -1 0 349.419 3.400 20 30 EGEDRM CC(=O)N1CCc2cc(C([O-])=C(C#N)c3nc4ccccc4o3)ccc21 ZINC000041542985 519631191 /nfs/dbraw/zinc/63/11/91/519631191.db2.gz XEUVSTZQRDSCIR-HNNXBMFYSA-N -1 0 345.358 3.227 20 30 EGEDRM C=CC[C@@H](NS(=O)(=O)c1ccc(C2CCCCC2)cc1)C(=O)[O-] ZINC000321978139 547469429 /nfs/dbraw/zinc/46/94/29/547469429.db2.gz SWAJSJMJZIQELN-MRXNPFEDSA-N -1 0 337.441 3.042 20 30 EGEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(C(=O)[O-])cc1F ZINC000358603605 547745257 /nfs/dbraw/zinc/74/52/57/547745257.db2.gz DXDZXJJCDXYKAZ-UHFFFAOYSA-N -1 0 343.354 3.361 20 30 EGEDRM O=C([O-])CCN(CC1CC1)C(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC000678976744 549607512 /nfs/dbraw/zinc/60/75/12/549607512.db2.gz YPKUASGVKKDPIE-UHFFFAOYSA-N -1 0 347.414 3.413 20 30 EGEDRM C=CCCOCC(=O)N[C@@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000678981816 549609256 /nfs/dbraw/zinc/60/92/56/549609256.db2.gz XAIVIJJEZMVZAB-INIZCTEOSA-N -1 0 333.428 3.209 20 30 EGEDRM Cn1cc(C([O-])=C(C#N)c2nc3ccccc3o2)c(-c2cccnc2)n1 ZINC000679537694 549727721 /nfs/dbraw/zinc/72/77/21/549727721.db2.gz ICJLHCKRYBZAHQ-ZDUSSCGKSA-N -1 0 343.346 3.113 20 30 EGEDRM COc1ccccc1-c1nc(C([O-])=C(C#N)c2ccncn2)cs1 ZINC000680617037 549885822 /nfs/dbraw/zinc/88/58/22/549885822.db2.gz BWFCEVVKEBJPOL-GFCCVEGCSA-N -1 0 336.376 3.099 20 30 EGEDRM CCOc1nc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)co1 ZINC000681354444 549985557 /nfs/dbraw/zinc/98/55/57/549985557.db2.gz BVAXVPKCAARSTQ-LLVKDONJSA-N -1 0 340.364 3.082 20 30 EGEDRM COc1cccc([C@@H](C)C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000738093568 574716735 /nfs/dbraw/zinc/71/67/35/574716735.db2.gz XFLUAFMULLVADJ-SJKOYZFVSA-N -1 0 339.347 3.039 20 30 EGEDRM COc1ccc(/C=C\C(=O)c2csc(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000730149697 574925488 /nfs/dbraw/zinc/92/54/88/574925488.db2.gz YXEZCOGIVKEVLY-RQOWECAXSA-N -1 0 333.321 3.259 20 30 EGEDRM CON=Cc1ccc(C(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000737839814 574968165 /nfs/dbraw/zinc/96/81/65/574968165.db2.gz OKRRWJBLDNOSBL-HNNXBMFYSA-N -1 0 347.754 3.303 20 30 EGEDRM O=C([O-])COc1ccc(C=NNc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000731559596 575081709 /nfs/dbraw/zinc/08/17/09/575081709.db2.gz IMYORVHTUJTCJI-UHFFFAOYSA-N -1 0 349.730 3.158 20 30 EGEDRM O=C([O-])COc1ccc(C=NNc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000731559475 575081757 /nfs/dbraw/zinc/08/17/57/575081757.db2.gz FMWIRHGSIRJTPY-UHFFFAOYSA-N -1 0 349.730 3.158 20 30 EGEDRM C[C@@H]1C[C@H]1c1ccc(C=Nn2c(=O)c3ccccc3[n-]c2=S)o1 ZINC000732769465 575287084 /nfs/dbraw/zinc/28/70/84/575287084.db2.gz IZFGHRNMIIJDNN-ZWNOBZJWSA-N -1 0 325.393 3.284 20 30 EGEDRM CNc1cc(C([O-])=C(C#N)c2nc3ccccc3o2)cc(Cl)n1 ZINC000735911770 575731115 /nfs/dbraw/zinc/73/11/15/575731115.db2.gz UYNAQKNZGPFMHZ-JTQLQIEISA-N -1 0 326.743 3.408 20 30 EGEDRM CC(Cc1ccsc1)N=Nc1oc(C(C)(C)C)nc1-c1nnn[n-]1 ZINC000736065941 575895396 /nfs/dbraw/zinc/89/53/96/575895396.db2.gz HTZOOIPIVYSQLB-UHFFFAOYSA-N -1 0 345.432 3.244 20 30 EGEDRM C=CCN1C(=O)N[C@@H](c2cnc(C(C)(C)C)s2)C(C(=O)[O-])=C1C ZINC000736107190 575896956 /nfs/dbraw/zinc/89/69/56/575896956.db2.gz SVADUSBHAFSWOM-LBPRGKRZSA-N -1 0 335.429 3.052 20 30 EGEDRM C=C(C)COc1cccc(NC(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)c1 ZINC000736094428 575898844 /nfs/dbraw/zinc/89/88/44/575898844.db2.gz FVPPRXCHEUKNON-MRXNPFEDSA-N -1 0 344.411 3.360 20 30 EGEDRM C=CCCCCCN(C)S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000736097713 575899291 /nfs/dbraw/zinc/89/92/91/575899291.db2.gz PPWPBZLHDONCTP-UHFFFAOYSA-N -1 0 345.848 3.405 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1ccn(C(C)C)n1 ZINC000736114451 575900737 /nfs/dbraw/zinc/90/07/37/575900737.db2.gz LNFKVYRXNDBJMX-UHFFFAOYSA-N -1 0 344.367 3.119 20 30 EGEDRM C=CCOc1ccccc1CNC(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000736114487 575900772 /nfs/dbraw/zinc/90/07/72/575900772.db2.gz UARHWJOOHYDGGU-UHFFFAOYSA-N -1 0 344.342 3.410 20 30 EGEDRM CC(C)C[C@H](NC(=O)[O-])C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 ZINC000736414814 575953520 /nfs/dbraw/zinc/95/35/20/575953520.db2.gz JPDYCYPIBFOWIV-JQWIXIFHSA-N -1 0 349.387 3.294 20 30 EGEDRM CC(C)CCN(CCC#N)C(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC000736425714 575958259 /nfs/dbraw/zinc/95/82/59/575958259.db2.gz AHVUQFLMUXHCPO-UHFFFAOYSA-N -1 0 341.411 3.128 20 30 EGEDRM CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccc(C(=O)[O-])s2)c1 ZINC000736848722 576047301 /nfs/dbraw/zinc/04/73/01/576047301.db2.gz MQYWWKMBKJCIRO-LBPRGKRZSA-N -1 0 344.392 3.057 20 30 EGEDRM CC[C@H](C(=O)[O-])N(C(=O)/C=C/c1ccccc1C#N)c1ccccc1 ZINC000736848642 576047346 /nfs/dbraw/zinc/04/73/46/576047346.db2.gz NYGKBUPSIXMPPU-QFQMRYFISA-N -1 0 334.375 3.468 20 30 EGEDRM CCOC(=O)c1ccc(C#N)c(S[C@@H](C(=O)[O-])c2ccccc2)n1 ZINC000737154446 576126170 /nfs/dbraw/zinc/12/61/70/576126170.db2.gz VOCCSEWEUUHJSC-CQSZACIVSA-N -1 0 342.376 3.048 20 30 EGEDRM CCOc1ccc(N(CCC#N)C(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC000737203833 576135691 /nfs/dbraw/zinc/13/56/91/576135691.db2.gz PMDPZOCRSZOMNW-UHFFFAOYSA-N -1 0 344.392 3.405 20 30 EGEDRM COc1ccc([C@H](CC(=O)[O-])/N=C\c2ccccc2O)cc1OC ZINC000737945983 576275217 /nfs/dbraw/zinc/27/52/17/576275217.db2.gz FPLPYYGTOKERNU-KVMVOAJRSA-N -1 0 329.352 3.044 20 30 EGEDRM Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000738388884 576320674 /nfs/dbraw/zinc/32/06/74/576320674.db2.gz QHIQNBCRNRJSNN-UHFFFAOYSA-N -1 0 349.346 3.130 20 30 EGEDRM N#Cc1ccc(Nc2cccc(C(=O)N3CCC[C@H](C(=O)[O-])C3)c2)cc1 ZINC000738431183 576325117 /nfs/dbraw/zinc/32/51/17/576325117.db2.gz RHKRWXHYEQXQAJ-INIZCTEOSA-N -1 0 349.390 3.239 20 30 EGEDRM Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000738474449 576329451 /nfs/dbraw/zinc/32/94/51/576329451.db2.gz LXLMOBKJOQDANF-HOTGVXAUSA-N -1 0 336.347 3.318 20 30 EGEDRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1cc2ccccc2n1CC#N ZINC000738535984 576335797 /nfs/dbraw/zinc/33/57/97/576335797.db2.gz VUQSTZWVVXZDJD-UHFFFAOYSA-N -1 0 333.347 3.424 20 30 EGEDRM Cc1csc(C2(N[C@H](C(=O)[O-])c3ccc(C#N)cc3)CCC2)n1 ZINC000738817235 576362838 /nfs/dbraw/zinc/36/28/38/576362838.db2.gz WVIXTZXJWKRYPL-AWEZNQCLSA-N -1 0 327.409 3.118 20 30 EGEDRM N#CCc1ccc(NC(=O)NCCc2ccc(NC(=O)[O-])cc2)cc1 ZINC000739090929 576377458 /nfs/dbraw/zinc/37/74/58/576377458.db2.gz AKHIIFAPZDCMMS-UHFFFAOYSA-N -1 0 338.367 3.207 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)C(=O)[O-])cc1 ZINC000739109394 576378500 /nfs/dbraw/zinc/37/85/00/576378500.db2.gz KWOVNYITYKRKSA-ZACQAIPSSA-N -1 0 339.322 3.170 20 30 EGEDRM N#Cc1ccc([C@@H](OC(=O)c2ccc(-n3cccc3)cc2)C(=O)[O-])cc1 ZINC000739113984 576378631 /nfs/dbraw/zinc/37/86/31/576378631.db2.gz DLPONNYSCLNOAP-GOSISDBHSA-N -1 0 346.342 3.332 20 30 EGEDRM N#Cc1ccc([C@@H](OC(=O)CSc2ccc(F)cc2)C(=O)[O-])cc1 ZINC000739115384 576378647 /nfs/dbraw/zinc/37/86/47/576378647.db2.gz PZIUQWHBQHMGAS-MRXNPFEDSA-N -1 0 345.351 3.159 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)c2ccc(OC(F)F)cc2)C(=O)[O-])cc1 ZINC000739114416 576378656 /nfs/dbraw/zinc/37/86/56/576378656.db2.gz GRZDLDYVWIPUCH-AWEZNQCLSA-N -1 0 347.273 3.142 20 30 EGEDRM N#Cc1ccc(CCC(=O)N(CCC(=O)[O-])c2cccc(F)c2)cc1 ZINC000739118130 576378907 /nfs/dbraw/zinc/37/89/07/576378907.db2.gz OGYSEWWCFZNYDM-UHFFFAOYSA-N -1 0 340.354 3.138 20 30 EGEDRM N#Cc1ccc(CSCC(=O)Nc2cccc(F)c2C(=O)[O-])cc1 ZINC000739118718 576378959 /nfs/dbraw/zinc/37/89/59/576378959.db2.gz WDLPVLKCJYESNZ-UHFFFAOYSA-N -1 0 344.367 3.267 20 30 EGEDRM N#Cc1ccc(CNC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)c(F)c1 ZINC000739118236 576378962 /nfs/dbraw/zinc/37/89/62/576378962.db2.gz POPXNYHCXZWEMN-UHFFFAOYSA-N -1 0 346.293 3.248 20 30 EGEDRM N#Cc1ccccc1SCc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1 ZINC000739142419 576379595 /nfs/dbraw/zinc/37/95/95/576379595.db2.gz LKPMAXBUBPJEFQ-UHFFFAOYSA-N -1 0 337.360 3.198 20 30 EGEDRM CC(C)N(CCC#N)Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-] ZINC000739841284 576509070 /nfs/dbraw/zinc/50/90/70/576509070.db2.gz FXOOWMUMPKVKTO-UHFFFAOYSA-N -1 0 338.407 3.453 20 30 EGEDRM Cc1cc(/C=C/C(=O)c2csc(C(=O)[O-])c2)ccc1-n1cncn1 ZINC000742435365 576784138 /nfs/dbraw/zinc/78/41/38/576784138.db2.gz WLTXYTHNNUUAFF-HWKANZROSA-N -1 0 339.376 3.232 20 30 EGEDRM O=C([O-])C(F)(F)Oc1ccc(C=NNc2ccc(Cl)nc2)cc1 ZINC000743452445 576809561 /nfs/dbraw/zinc/80/95/61/576809561.db2.gz WVUKFKRDEPPQAZ-UHFFFAOYSA-N -1 0 341.701 3.237 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(OC2CCC2)cc1 ZINC000744021761 576818949 /nfs/dbraw/zinc/81/89/49/576818949.db2.gz FFEIVGQJPMGUOH-QGZVFWFLSA-N -1 0 328.412 3.247 20 30 EGEDRM C[C@@H](Oc1cccc(C(=O)/C=C\c2ccccc2[N+](=O)[O-])c1)C(=O)[O-] ZINC000745022079 576838710 /nfs/dbraw/zinc/83/87/10/576838710.db2.gz WBTHYQBRUBKDAH-ZWLSGLHFSA-N -1 0 341.319 3.343 20 30 EGEDRM C=CCN(Cc1cccs1)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000819713196 598184084 /nfs/dbraw/zinc/18/40/84/598184084.db2.gz BCVYDRUMAFZENE-UHFFFAOYSA-N -1 0 330.409 3.344 20 30 EGEDRM C=CCN(CCc1ccco1)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000819713213 598212333 /nfs/dbraw/zinc/21/23/33/598212333.db2.gz CSLMIVUMZCPAGK-UHFFFAOYSA-N -1 0 328.368 3.169 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC000819856412 598223128 /nfs/dbraw/zinc/22/31/28/598223128.db2.gz INXNGNWMPLISTA-GOSISDBHSA-N -1 0 338.388 3.091 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000819857113 598224961 /nfs/dbraw/zinc/22/49/61/598224961.db2.gz RRJFGDXOBFBHCW-IBGZPJMESA-N -1 0 349.346 3.294 20 30 EGEDRM C[C@H](Oc1ccccc1C#N)c1nc(-c2cccc(C(=O)[O-])c2)no1 ZINC000827895354 600701307 /nfs/dbraw/zinc/70/13/07/600701307.db2.gz IJYDQIBDUYTTRU-NSHDSACASA-N -1 0 335.319 3.446 20 30 EGEDRM N#Cc1ccc(CC(=O)N[C@@H](CC(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000833072445 600802174 /nfs/dbraw/zinc/80/21/74/600802174.db2.gz MPLVXADWYJPQAQ-INIZCTEOSA-N -1 0 342.782 3.086 20 30 EGEDRM Cc1cc(OCc2nnc(-c3cccc(C#N)c3)o2)c(C(=O)[O-])s1 ZINC000832900731 600804349 /nfs/dbraw/zinc/80/43/49/600804349.db2.gz KXOAIKYBGKGCFH-UHFFFAOYSA-N -1 0 341.348 3.255 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)CC[C@@H]1CC[C@H](C)O1 ZINC000825702523 600967068 /nfs/dbraw/zinc/96/70/68/600967068.db2.gz PIGMCQVEDQRTCT-WFASDCNBSA-N -1 0 348.395 3.375 20 30 EGEDRM C#CCOc1cc(F)ccc1NC(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000825626182 601011256 /nfs/dbraw/zinc/01/12/56/601011256.db2.gz WJIRSAJUNSWLPQ-UHFFFAOYSA-N -1 0 346.289 3.319 20 30 EGEDRM C=CCOc1cccc(NC(=O)NC[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000825702243 601028330 /nfs/dbraw/zinc/02/83/30/601028330.db2.gz FYNSUGATISDVRY-KRWDZBQOSA-N -1 0 340.379 3.241 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)s1 ZINC000833072683 601285194 /nfs/dbraw/zinc/28/51/94/601285194.db2.gz XFMJRHUCGWEOGC-UHFFFAOYSA-N -1 0 330.365 3.116 20 30 EGEDRM N#Cc1cccc([C@@H](Nc2ccc(NC(=O)C3CC3)cc2)C(=O)[O-])c1 ZINC000833076140 601299871 /nfs/dbraw/zinc/29/98/71/601299871.db2.gz QQFWHHCLDLBSIM-QGZVFWFLSA-N -1 0 335.363 3.145 20 30 EGEDRM CN(Cc1cnn(-c2ccccc2)c1)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830870029 601310569 /nfs/dbraw/zinc/31/05/69/601310569.db2.gz ZICRQTOJYSNNIC-IBGZPJMESA-N -1 0 346.390 3.002 20 30 EGEDRM Cc1ccc(C(=O)[O-])cc1NC(=O)CSc1cccc(C#N)c1 ZINC000832917046 601319129 /nfs/dbraw/zinc/31/91/29/601319129.db2.gz QSCVUFLUPBZNNA-UHFFFAOYSA-N -1 0 326.377 3.296 20 30 EGEDRM C[C@H](C#N)CSc1ccccc1NC(=O)CS[C@H](C)C(=O)[O-] ZINC000825967656 601346692 /nfs/dbraw/zinc/34/66/92/601346692.db2.gz YAXHCALMNRCALW-GHMZBOCLSA-N -1 0 338.454 3.083 20 30 EGEDRM Cc1cc2ccccc2n1CC(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832906878 601346732 /nfs/dbraw/zinc/34/67/32/601346732.db2.gz ZDUJCTRJVHCYKT-LJQANCHMSA-N -1 0 348.358 3.191 20 30 EGEDRM C/C(=C\C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1cccc(F)c1 ZINC000825723874 601352497 /nfs/dbraw/zinc/35/24/97/601352497.db2.gz CRQJBWJIWGAFBJ-RXNMKEHESA-N -1 0 339.322 3.470 20 30 EGEDRM Cc1nc(CCCC(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cs1 ZINC000832998100 601476123 /nfs/dbraw/zinc/47/61/23/601476123.db2.gz KDDGJMUHQHNFOZ-MRXNPFEDSA-N -1 0 344.392 3.015 20 30 EGEDRM C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](CC(=O)[O-])C1CC1 ZINC000827219445 601624228 /nfs/dbraw/zinc/62/42/28/601624228.db2.gz ZCDUUFOJMJOLJN-FZMZJTMJSA-N -1 0 347.440 3.456 20 30 EGEDRM CC[C@H](C(=O)[O-])N(C(=O)c1c(F)cc(C#N)cc1F)c1ccccc1 ZINC000828595055 601677555 /nfs/dbraw/zinc/67/75/55/601677555.db2.gz PUJQFGJHLLPNNS-OAHLLOKOSA-N -1 0 344.317 3.346 20 30 EGEDRM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)NCC(F)F)c2)c1 ZINC000833136124 601692675 /nfs/dbraw/zinc/69/26/75/601692675.db2.gz YIXPZHLOWYKHBE-UHFFFAOYSA-N -1 0 344.317 3.171 20 30 EGEDRM COc1ccc(C#N)cc1NC(=O)N[C@@H]1CCCCCC[C@H]1C(=O)[O-] ZINC000832152901 602036287 /nfs/dbraw/zinc/03/62/87/602036287.db2.gz PUBWEFSDAZQCPL-ZIAGYGMSSA-N -1 0 345.399 3.112 20 30 EGEDRM C[C@@H](Oc1ccc(C=NNc2cc(F)c(F)cc2F)cc1)C(=O)[O-] ZINC000794908962 602075237 /nfs/dbraw/zinc/07/52/37/602075237.db2.gz OXJMEOUHKWVVHD-SECBINFHSA-N -1 0 338.285 3.402 20 30 EGEDRM Cc1cc(/C=C/C(=O)c2ccc(OCC(=O)[O-])cc2)cnc1Cl ZINC000832881892 602099333 /nfs/dbraw/zinc/09/93/33/602099333.db2.gz VVBASPJUOVKMBP-FARCUNLSSA-N -1 0 331.755 3.403 20 30 EGEDRM COc1cc(C(=O)/C=C\c2ccc(O[C@H](C)C(=O)[O-])cc2)ccc1O ZINC000794695511 602106650 /nfs/dbraw/zinc/10/66/50/602106650.db2.gz PCDQHLUZTJBBPN-DJTUGOFGSA-N -1 0 342.347 3.149 20 30 EGEDRM C[C@@H](Oc1ccc(/C=C2\COc3ccc(F)cc3C2=O)cc1)C(=O)[O-] ZINC000794706545 602110580 /nfs/dbraw/zinc/11/05/80/602110580.db2.gz GHEOMZNMPHFFNE-KAQJVSAMSA-N -1 0 342.322 3.336 20 30 EGEDRM N#Cc1ccc(-c2nnc(CNc3cc(C(=O)[O-])ccc3F)o2)cc1 ZINC000833070372 602127676 /nfs/dbraw/zinc/12/76/76/602127676.db2.gz BHKLHOHLBSTNEB-UHFFFAOYSA-N -1 0 338.298 3.058 20 30 EGEDRM Cc1ccc(-c2csc(C(C#N)C(=O)[C@H](C)CC(=O)[O-])n2)cc1 ZINC000832907209 602183282 /nfs/dbraw/zinc/18/32/82/602183282.db2.gz OXDDCRJSFWEEIL-DGCLKSJQSA-N -1 0 328.393 3.406 20 30 EGEDRM C[C@H](Oc1ccc(C=NNCc2cnc3ccccc3c2)cc1)C(=O)[O-] ZINC000794918648 602183945 /nfs/dbraw/zinc/18/39/45/602183945.db2.gz VGDSTURZWYSKIE-AWEZNQCLSA-N -1 0 349.390 3.210 20 30 EGEDRM C=C(C)[C@@H](CC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F)OCC ZINC000833367690 604555439 /nfs/dbraw/zinc/55/54/39/604555439.db2.gz RGBUJTSTQTZOAO-GFCCVEGCSA-N -1 0 343.326 3.296 20 30 EGEDRM COc1ccc(C#N)cc1COC(=O)c1ccccc1NC(=O)[O-] ZINC000832152735 604596835 /nfs/dbraw/zinc/59/68/35/604596835.db2.gz MBISFRJBLBSRIY-UHFFFAOYSA-N -1 0 326.308 3.014 20 30 EGEDRM C=C(C)[C@@H](CC(=O)O[C@H](C(=O)[O-])c1cccc(Cl)c1)OCC ZINC000833368792 604597571 /nfs/dbraw/zinc/59/75/71/604597571.db2.gz VFGBTXGADQCBCE-HIFRSBDPSA-N -1 0 326.776 3.380 20 30 EGEDRM COc1cc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2)cc(OC)c1OC ZINC000831975712 604629699 /nfs/dbraw/zinc/62/96/99/604629699.db2.gz IHUNCSFEZGOBOB-RUDMXATFSA-N -1 0 342.347 3.307 20 30 EGEDRM C#CC[C@H](NC(=O)N1Cc2ccc(C(=O)[O-])cc2C1)c1ccccc1 ZINC000833360153 604644604 /nfs/dbraw/zinc/64/46/04/604644604.db2.gz FCXXWBYBHLTSSS-SFHVURJKSA-N -1 0 334.375 3.175 20 30 EGEDRM CC(C)(C#N)c1ccccc1COC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000826080818 604691170 /nfs/dbraw/zinc/69/11/70/604691170.db2.gz GGYZGNUUEIEIEO-ZIAGYGMSSA-N -1 0 329.396 3.422 20 30 EGEDRM CCc1cc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)oc1CC ZINC000830213731 604697635 /nfs/dbraw/zinc/69/76/35/604697635.db2.gz BTZKIMMNRYLMSD-MRXNPFEDSA-N -1 0 327.336 3.259 20 30 EGEDRM C=CCn1c(SC[C@@H](F)C(=O)[O-])nnc1-c1cccc(Cl)c1 ZINC000825710911 604750017 /nfs/dbraw/zinc/75/00/17/604750017.db2.gz HCZVVLKCPSQTGB-LLVKDONJSA-N -1 0 341.795 3.299 20 30 EGEDRM O=C([O-])c1ccc([N+](=O)[O-])c(OCC#Cc2cccc(Cl)c2)c1 ZINC000833324479 604787893 /nfs/dbraw/zinc/78/78/93/604787893.db2.gz SAWVVYIUUWBFAP-UHFFFAOYSA-N -1 0 331.711 3.377 20 30 EGEDRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)[C@@H](C#N)c1ccc2ccccc2n1 ZINC000832846549 604878992 /nfs/dbraw/zinc/87/89/92/604878992.db2.gz VDTNXIPKTONURT-ZDUSSCGKSA-N -1 0 333.347 3.368 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)[C@@H]2CCCc3sccc32)C(=O)[O-])cc1 ZINC000833071828 604887701 /nfs/dbraw/zinc/88/77/01/604887701.db2.gz JCOWJPVEOXNSKO-ZBFHGGJFSA-N -1 0 341.388 3.409 20 30 EGEDRM N#C[C@@H](COC(=O)c1ccc(C(=O)[O-])c(F)c1)Cc1ccccc1 ZINC000833062380 604888332 /nfs/dbraw/zinc/88/83/32/604888332.db2.gz AVIPDRMPBJZNLG-ZDUSSCGKSA-N -1 0 327.311 3.063 20 30 EGEDRM C#CC[C@H](NC(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1)c1ccccc1 ZINC000833360085 604921000 /nfs/dbraw/zinc/92/10/00/604921000.db2.gz BVNFWSXWJZCPSN-HNNXBMFYSA-N -1 0 348.362 3.147 20 30 EGEDRM C[C@@H](C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1c(F)cccc1F ZINC000833407196 605035874 /nfs/dbraw/zinc/03/58/74/605035874.db2.gz SFCWNLMVLBLGLD-QLJPJBMISA-N -1 0 345.301 3.309 20 30 EGEDRM C[C@@H](C(=O)[O-])n1cccc1CN=Nc1ncc(Cl)cc1Cl ZINC000833405683 605037862 /nfs/dbraw/zinc/03/78/62/605037862.db2.gz GTYHCNUUZBZBJR-QMMMGPOBSA-N -1 0 327.171 3.282 20 30 EGEDRM C[C@H](C(=O)[O-])n1cccc1C=NNc1ccc(Br)cc1 ZINC000833405786 605038681 /nfs/dbraw/zinc/03/86/81/605038681.db2.gz INLMOEYHQLYMFD-SNVBAGLBSA-N -1 0 336.189 3.342 20 30 EGEDRM C=CCN(CC=C)C(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000132482226 605130392 /nfs/dbraw/zinc/13/03/92/605130392.db2.gz WHSXGSATPYGCHK-UHFFFAOYSA-N -1 0 339.189 3.353 20 30 EGEDRM Cc1ccc(F)c2c1C(=NNc1ccc(C(=O)[O-])c(Cl)c1)C(=O)N2 ZINC000833749233 605158129 /nfs/dbraw/zinc/15/81/29/605158129.db2.gz FZUQXYAPOAROKB-UHFFFAOYSA-N -1 0 347.733 3.254 20 30 EGEDRM CC(C)(C#N)CCN1CCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC000833407359 605190282 /nfs/dbraw/zinc/19/02/82/605190282.db2.gz JXIOOPONTDVGFE-MRXNPFEDSA-N -1 0 349.862 3.023 20 30 EGEDRM CC(=NNc1cccc([N+](=O)[O-])c1C)c1ccccc1OCC(=O)[O-] ZINC000833387140 605329694 /nfs/dbraw/zinc/32/96/94/605329694.db2.gz PJCWRXVGYQASKS-UHFFFAOYSA-N -1 0 343.339 3.203 20 30 EGEDRM C=CCNc1nnc(S[C@@H](Cc2ccc(F)cc2)C(=O)[O-])s1 ZINC000833375634 605334335 /nfs/dbraw/zinc/33/43/35/605334335.db2.gz HBAJXXXOPNDNNL-NSHDSACASA-N -1 0 339.417 3.063 20 30 EGEDRM CC(=NNc1cccc(C(=O)[O-])c1)c1ccc2c(c1)CCC(=O)N2C ZINC000754701864 605592418 /nfs/dbraw/zinc/59/24/18/605592418.db2.gz YLWMNEFIVPKTIY-UHFFFAOYSA-N -1 0 337.379 3.130 20 30 EGEDRM C#CCCCCCC(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1 ZINC000833361730 605716617 /nfs/dbraw/zinc/71/66/17/605716617.db2.gz JIAWPPGDHBHYDD-UHFFFAOYSA-N -1 0 342.439 3.371 20 30 EGEDRM COc1ccc(/C=C(\C(=O)C(=O)[O-])c2ccc3ccccc3n2)cc1O ZINC000006897524 1291052990 /nfs/dbraw/zinc/05/29/90/1291052990.db2.gz HISOGZGDAHJAKS-UVTDQMKNSA-N -1 0 349.342 3.143 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2ccc(-c3ccc(F)cc3)o2)C(=O)O1 ZINC000024083553 1291241415 /nfs/dbraw/zinc/24/14/15/1291241415.db2.gz UEWASJLWBIUKFZ-JHTBKMLMSA-N -1 0 340.306 3.314 20 30 EGEDRM COc1cc(/C=C\C(=O)c2ccc([N+](=O)[O-])cc2)cc([N+](=O)[O-])c1[O-] ZINC000035335082 1291393006 /nfs/dbraw/zinc/39/30/06/1291393006.db2.gz OVCDRXOFSMFMDU-UQCOIBPSSA-N -1 0 344.279 3.113 20 30 EGEDRM N#Cc1cccc(C(=O)[N-]S(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000042232868 1291437453 /nfs/dbraw/zinc/43/74/53/1291437453.db2.gz PMWWQEFPAOYREP-UHFFFAOYSA-N -1 0 336.372 3.405 20 30 EGEDRM O=C(Cc1c[nH]c2ccccc12)[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000042250457 1291438303 /nfs/dbraw/zinc/43/83/03/1291438303.db2.gz XPBTVNFEBABZBD-UHFFFAOYSA-N -1 0 332.356 3.195 20 30 EGEDRM COc1cccc(CC(=O)[N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000046929280 1291557977 /nfs/dbraw/zinc/55/79/77/1291557977.db2.gz FDAUTUNWCCHQMS-UHFFFAOYSA-N -1 0 333.409 3.200 20 30 EGEDRM Cc1noc(C)c1CC(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000048407878 1291603083 /nfs/dbraw/zinc/60/30/83/1291603083.db2.gz HYLZBIZIEWUTDT-UHFFFAOYSA-N -1 0 344.392 3.333 20 30 EGEDRM Cc1ccc(C)c(OCCC(=O)[N-]S(=O)(=O)c2cccs2)c1 ZINC000048427238 1291604196 /nfs/dbraw/zinc/60/41/96/1291604196.db2.gz UXPAAHWYTRRORK-UHFFFAOYSA-N -1 0 339.438 3.479 20 30 EGEDRM COc1ccc(Cl)cc1C(=O)[N-]S(=O)(=O)c1cccs1 ZINC000048427401 1291604325 /nfs/dbraw/zinc/60/43/25/1291604325.db2.gz FAKRQBDCRUAGOV-UHFFFAOYSA-N -1 0 331.802 3.104 20 30 EGEDRM COCc1ccccc1C(=O)[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC000048474678 1291606527 /nfs/dbraw/zinc/60/65/27/1291606527.db2.gz ARJQRIWFCMGNID-UHFFFAOYSA-N -1 0 333.409 3.143 20 30 EGEDRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)c1cccc(Cl)c1Cl ZINC000048490119 1291607182 /nfs/dbraw/zinc/60/71/82/1291607182.db2.gz OGHYUIFJZMREPO-UHFFFAOYSA-N -1 0 349.195 3.292 20 30 EGEDRM Cc1ccoc1C(=O)[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000048514683 1291607621 /nfs/dbraw/zinc/60/76/21/1291607621.db2.gz RZJBMXWCZQUZRA-UHFFFAOYSA-N -1 0 333.287 3.300 20 30 EGEDRM O=C(CCCc1ccc(Cl)cc1)[N-]S(=O)(=O)c1cccnc1 ZINC000048533002 1291610103 /nfs/dbraw/zinc/61/01/03/1291610103.db2.gz FNWDTRNNQPTNBZ-UHFFFAOYSA-N -1 0 338.816 3.403 20 30 EGEDRM Cc1ccc(OCC(=O)[N-]S(=O)(=O)c2ccccc2F)cc1C ZINC000048587468 1291612532 /nfs/dbraw/zinc/61/25/32/1291612532.db2.gz FLXGQGSVAYHKNX-UHFFFAOYSA-N -1 0 337.372 3.167 20 30 EGEDRM O=C([N-]S(=O)(=O)c1ccccc1F)c1ccc(OC(F)F)cc1 ZINC000048587571 1291612635 /nfs/dbraw/zinc/61/26/35/1291612635.db2.gz WNEGDGAZTJITPV-UHFFFAOYSA-N -1 0 345.298 3.121 20 30 EGEDRM COc1ccc(CC(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1 ZINC000048612174 1291613844 /nfs/dbraw/zinc/61/38/44/1291613844.db2.gz WVRXNWRBJIZMKV-UHFFFAOYSA-N -1 0 345.420 3.072 20 30 EGEDRM Cn1cc(S(=O)(=O)[N-]C(=O)C=Cc2ccc(C(C)(C)C)cc2)cn1 ZINC000048648346 1291614541 /nfs/dbraw/zinc/61/45/41/1291614541.db2.gz DCYYLALLGLPTDB-JXMROGBWSA-N -1 0 347.440 3.076 20 30 EGEDRM O=C([N-]S(=O)(=O)c1ccc(Cl)s1)c1ccnc(Cl)c1 ZINC000048619141 1291614587 /nfs/dbraw/zinc/61/45/87/1291614587.db2.gz SJJRFSWYZDMDLR-UHFFFAOYSA-N -1 0 337.209 3.143 20 30 EGEDRM CCc1ncc(C(=O)[N-]S(=O)(=O)C2=Cc3ccccc3CC2)s1 ZINC000058043270 1291875384 /nfs/dbraw/zinc/87/53/84/1291875384.db2.gz ISAVMUGSQPMBBJ-UHFFFAOYSA-N -1 0 348.449 3.327 20 30 EGEDRM COc1cccc(S(=O)(=O)[N-]C(=O)CCc2ccsc2)c1 ZINC000058185431 1291882056 /nfs/dbraw/zinc/88/20/56/1291882056.db2.gz NIJIJVCVGFIHTR-UHFFFAOYSA-N -1 0 325.411 3.035 20 30 EGEDRM COc1cccc(S(=O)(=O)[N-]C(=O)CCc2cccc(C)c2)c1 ZINC000058185840 1291882992 /nfs/dbraw/zinc/88/29/92/1291882992.db2.gz ZCIWAPXZEUKUEL-UHFFFAOYSA-N -1 0 333.409 3.282 20 30 EGEDRM CC(C)OCCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000069623963 1292246282 /nfs/dbraw/zinc/24/62/82/1292246282.db2.gz HHETVNSDDUWLSH-UHFFFAOYSA-N -1 0 325.430 3.026 20 30 EGEDRM CCO[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000069641976 1292247147 /nfs/dbraw/zinc/24/71/47/1292247147.db2.gz SQSCUTSWKFLOKQ-RITPCOANSA-N -1 0 344.241 3.125 20 30 EGEDRM COc1ccc(S(=O)(=O)[N-]C(=O)Cc2cccc(Cl)c2)cc1 ZINC000070031229 1292254554 /nfs/dbraw/zinc/25/45/54/1292254554.db2.gz MBQSLRMNKGKFTN-UHFFFAOYSA-N -1 0 339.800 3.237 20 30 EGEDRM C[C@@H]1CCCC[C@@H]1OCC(=O)[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000073086820 1292305410 /nfs/dbraw/zinc/30/54/10/1292305410.db2.gz RSICDIZREJOYJP-RISCZKNCSA-N -1 0 329.393 3.066 20 30 EGEDRM COc1cccc2cc(C(=O)[N-]S(=O)(=O)c3ccccc3)oc21 ZINC000075777270 1292411614 /nfs/dbraw/zinc/41/16/14/1292411614.db2.gz XHGWSGAZNZRCAS-UHFFFAOYSA-N -1 0 331.349 3.135 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)CC[C@@H]2CC[C@@H](C)O2)c(C)c1 ZINC000076757983 1292440091 /nfs/dbraw/zinc/44/00/91/1292440091.db2.gz NXRBUOLEOALCDM-KGLIPLIRSA-N -1 0 325.430 3.296 20 30 EGEDRM Cc1nc(C(F)(F)F)ccc1C(=O)[N-]S(=O)(=O)c1ccccc1 ZINC000077410340 1292462197 /nfs/dbraw/zinc/46/21/97/1292462197.db2.gz BSXRIQPEUNXDIO-UHFFFAOYSA-N -1 0 344.314 3.102 20 30 EGEDRM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2O)cc1 ZINC000080941418 1292630842 /nfs/dbraw/zinc/63/08/42/1292630842.db2.gz YEOOACRUEGCSLD-UHFFFAOYSA-N -1 0 330.409 3.362 20 30 EGEDRM O=C(CCc1ccc(OC(F)F)cc1)[N-]S(=O)(=O)C1CCCC1 ZINC000086054707 1292727201 /nfs/dbraw/zinc/72/72/01/1292727201.db2.gz YTKWPXJNQGRXPC-UHFFFAOYSA-N -1 0 347.383 3.450 20 30 EGEDRM O=C(CCCOc1cccc(F)c1)[N-]S(=O)(=O)C1CCCC1 ZINC000086055294 1292727821 /nfs/dbraw/zinc/72/78/21/1292727821.db2.gz HXCLSRRXNSLSNI-UHFFFAOYSA-N -1 0 329.393 3.214 20 30 EGEDRM CCCc1ccc(S(=O)(=O)[N-]C(=O)C[C@H]2CCCCO2)cc1 ZINC000088800499 1292756288 /nfs/dbraw/zinc/75/62/88/1292756288.db2.gz VCADYMNATSTUSL-CQSZACIVSA-N -1 0 325.430 3.244 20 30 EGEDRM CC=C(C)C(=O)[N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000089969927 1292782549 /nfs/dbraw/zinc/78/25/49/1292782549.db2.gz UUPQACJKHTVELP-CLTKARDFSA-N -1 0 325.283 3.456 20 30 EGEDRM CC[C@H](C)n1ncc(C(=O)[N-]S(=O)(=O)C2CCCC2)c1C1CC1 ZINC000089982076 1292783981 /nfs/dbraw/zinc/78/39/81/1292783981.db2.gz FYRSEDAXKNIWTR-NSHDSACASA-N -1 0 339.461 3.309 20 30 EGEDRM Cn1nccc1[C@@H]1CCCC(N=Nc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000835008608 1293186819 /nfs/dbraw/zinc/18/68/19/1293186819.db2.gz HYDOMEKHPWSTSP-LLVKDONJSA-N -1 0 330.363 3.383 20 30 EGEDRM C=CCC1(C(=O)[N-]S(=O)(=O)c2cccc3ncccc32)CCCC1 ZINC000835128665 1293215329 /nfs/dbraw/zinc/21/53/29/1293215329.db2.gz SRGUKLOCUJFNFQ-UHFFFAOYSA-N -1 0 344.436 3.176 20 30 EGEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)C1CCC(c2ccccc2)CC1 ZINC000123125562 1293434917 /nfs/dbraw/zinc/43/49/17/1293434917.db2.gz RYVFCXPGKVMGEL-OFLPRAFFSA-N -1 0 335.407 3.286 20 30 EGEDRM CCSCc1ccc(C([O-])=C(C#N)C(=O)NC2CCCC2)cc1 ZINC000125730446 1293515608 /nfs/dbraw/zinc/51/56/08/1293515608.db2.gz CERLASIVRBWQBU-MRXNPFEDSA-N -1 0 330.453 3.321 20 30 EGEDRM Cc1ccc([N+](=O)[O-])cc1C(=O)/C=C/c1ccc([O-])c([N+](=O)[O-])c1 ZINC000128449933 1293593347 /nfs/dbraw/zinc/59/33/47/1293593347.db2.gz OLYYSKIKNAYPRA-ZZXKWVIFSA-N -1 0 328.280 3.413 20 30 EGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)c1ccnn1C(C)C ZINC000130116733 1293645326 /nfs/dbraw/zinc/64/53/26/1293645326.db2.gz CIYLDRUGODWJBZ-AWEZNQCLSA-N -1 0 334.379 3.459 20 30 EGEDRM C#CCOc1cccc([N-]S(=O)(=O)c2cc3ccccc3o2)c1 ZINC000131804641 1293701250 /nfs/dbraw/zinc/70/12/50/1293701250.db2.gz FBWRJZZFCPRBRB-UHFFFAOYSA-N -1 0 327.361 3.246 20 30 EGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CCc1cccnc1 ZINC000136140261 1293810578 /nfs/dbraw/zinc/81/05/78/1293810578.db2.gz PQDQORMIOYILGH-INIZCTEOSA-N -1 0 331.375 3.396 20 30 EGEDRM CC1(C)CCCC[C@H]1CC(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1 ZINC000153621020 1294022517 /nfs/dbraw/zinc/02/25/17/1294022517.db2.gz NGNKTZIPEKKSDL-INIZCTEOSA-N -1 0 348.468 3.111 20 30 EGEDRM COCCOc1ccccc1/C=C/C(=O)c1ccc(OC)cc1[O-] ZINC000156614874 1294151176 /nfs/dbraw/zinc/15/11/76/1294151176.db2.gz RMQUZWZMWRUCLG-JXMROGBWSA-N -1 0 328.364 3.322 20 30 EGEDRM Cc1c(C(=O)/C=C/c2cc(F)c([O-])c(F)c2)cnn1-c1ccccn1 ZINC000175327546 1294549417 /nfs/dbraw/zinc/54/94/17/1294549417.db2.gz SYBCEQASONRGCA-AATRIKPKSA-N -1 0 341.317 3.456 20 30 EGEDRM Cc1cc(C(=O)Nc2cc(C#N)ccc2[O-])c2c(n1)onc2C(C)C ZINC000176406176 1294603689 /nfs/dbraw/zinc/60/36/89/1294603689.db2.gz SCUOVFOWLNNYGC-UHFFFAOYSA-N -1 0 336.351 3.484 20 30 EGEDRM CSc1ccc(O[C@H](C)C(=O)Nc2cc(C#N)ccc2[O-])cc1 ZINC000176402734 1294604040 /nfs/dbraw/zinc/60/40/40/1294604040.db2.gz FZOYMXISQBFBRE-LLVKDONJSA-N -1 0 328.393 3.392 20 30 EGEDRM CC(C)NC(=O)Nc1ccc(C(=O)Nc2cc(C#N)ccc2[O-])cc1 ZINC000176815922 1294633784 /nfs/dbraw/zinc/63/37/84/1294633784.db2.gz XZVBJLJXLCYWHQ-UHFFFAOYSA-N -1 0 338.367 3.046 20 30 EGEDRM COc1ccc(C(=O)Nc2cc(C#N)ccc2[O-])cc1OC(F)F ZINC000176825696 1294636375 /nfs/dbraw/zinc/63/63/75/1294636375.db2.gz KTJWHSOBCFVSAE-UHFFFAOYSA-N -1 0 334.278 3.126 20 30 EGEDRM Cc1oc(-c2cccs2)nc1CC(=O)Nc1cc(C#N)ccc1[O-] ZINC000176823891 1294636392 /nfs/dbraw/zinc/63/63/92/1294636392.db2.gz IFAUISONECWPLR-UHFFFAOYSA-N -1 0 339.376 3.470 20 30 EGEDRM CN1C(=O)CCc2cc(C([O-])=C(C#N)c3nc4ccccc4o3)ccc21 ZINC000179008273 1294767366 /nfs/dbraw/zinc/76/73/66/1294767366.db2.gz PCOKFCKQJDUVJH-AWEZNQCLSA-N -1 0 345.358 3.227 20 30 EGEDRM C=C[C@H](CC(=O)[N-]S(=O)(=O)CC1CCCCC1)c1ccccc1 ZINC000179041238 1294771145 /nfs/dbraw/zinc/77/11/45/1294771145.db2.gz XASOIPBHVFUDPW-MRXNPFEDSA-N -1 0 335.469 3.373 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(N(C)CCC)cc1 ZINC000179976703 1294848017 /nfs/dbraw/zinc/84/80/17/1294848017.db2.gz WLEOICCIFUPTRW-QGZVFWFLSA-N -1 0 329.444 3.162 20 30 EGEDRM CC#CCCCC(=O)[N-]S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000183749464 1295141194 /nfs/dbraw/zinc/14/11/94/1295141194.db2.gz WZVOCRBGSBOTQT-UHFFFAOYSA-N -1 0 327.471 3.044 20 30 EGEDRM Cc1c(C(=O)/C=C/c2ccc([O-])c([N+](=O)[O-])c2)cnn1C(C)(C)C ZINC000188868840 1295485125 /nfs/dbraw/zinc/48/51/25/1295485125.db2.gz PFFWWMKTSJTWTL-FNORWQNLSA-N -1 0 329.356 3.456 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3 ZINC000191259003 1295661878 /nfs/dbraw/zinc/66/18/78/1295661878.db2.gz SGNXZEAKZHXMMU-LBPRGKRZSA-N -1 0 326.396 3.006 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)c1ccc(-c2ccc(F)cc2)cc1F ZINC000191248052 1295661926 /nfs/dbraw/zinc/66/19/26/1295661926.db2.gz NKMUNDCUBVZDTB-UHFFFAOYSA-N -1 0 331.318 3.345 20 30 EGEDRM COc1ccccc1-c1ccc(C([O-])=C(C#N)C(=O)NC2CC2)s1 ZINC000870142845 1295699895 /nfs/dbraw/zinc/69/98/95/1295699895.db2.gz NLULMRYNUIMPPA-ZDUSSCGKSA-N -1 0 340.404 3.025 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cn(C)c2ccccc12 ZINC000193365295 1295855885 /nfs/dbraw/zinc/85/58/85/1295855885.db2.gz ZKVWMAUMWCVRSD-HNNXBMFYSA-N -1 0 325.412 3.197 20 30 EGEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1ccc(SC(C)C)cc1 ZINC000193353166 1295856138 /nfs/dbraw/zinc/85/61/38/1295856138.db2.gz XMCWGUCQAYSKAE-INIZCTEOSA-N -1 0 348.468 3.052 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cccc(C(F)(F)F)c1 ZINC000193367944 1295856349 /nfs/dbraw/zinc/85/63/49/1295856349.db2.gz DRHUSWDZRJGNJL-CYBMUJFWSA-N -1 0 326.318 3.334 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cccc(Br)c1 ZINC000193376205 1295858595 /nfs/dbraw/zinc/85/85/95/1295858595.db2.gz BGKYEDRDSXUFEM-CYBMUJFWSA-N -1 0 337.217 3.078 20 30 EGEDRM CC(C)NC(=O)C(C#N)=C([O-])c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3 ZINC000193485368 1295874306 /nfs/dbraw/zinc/87/43/06/1295874306.db2.gz MQLAHEGCGZSULH-WBMJQRKESA-N -1 0 337.423 3.140 20 30 EGEDRM Cc1ncc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)s1 ZINC000194680512 1296000476 /nfs/dbraw/zinc/00/04/76/1296000476.db2.gz IWFYYTMLNMWAGB-VIFPVBQESA-N -1 0 337.763 3.205 20 30 EGEDRM CC(C)Cc1nc(C([O-])=C(C#N)C(=O)NC2CCCCC2)cs1 ZINC000195286241 1296053694 /nfs/dbraw/zinc/05/36/94/1296053694.db2.gz ZLBUFHLSYUEXIW-CYBMUJFWSA-N -1 0 333.457 3.113 20 30 EGEDRM N#Cc1ccc(C(=O)/C=C\c2cccc(OCCC(=O)[O-])c2)s1 ZINC000255208297 1296510060 /nfs/dbraw/zinc/51/00/60/1296510060.db2.gz WISANSNBIKIZNK-XQRVVYSFSA-N -1 0 327.361 3.369 20 30 EGEDRM COc1cc(OC)c(OC)cc1/C=C\C(=O)c1ccc(F)cc1[O-] ZINC000255290035 1296514913 /nfs/dbraw/zinc/51/49/13/1296514913.db2.gz KOZZNLAERIXBOP-DAXSKMNVSA-N -1 0 332.327 3.453 20 30 EGEDRM COc1cc(/C=C\C(=O)c2ccc(C#N)s2)cc([N+](=O)[O-])c1[O-] ZINC000255658616 1296558630 /nfs/dbraw/zinc/55/86/30/1296558630.db2.gz ZXVMZZAUHGHCLM-RQOWECAXSA-N -1 0 330.321 3.138 20 30 EGEDRM COc1ccc(C(=O)/C=C\c2cc([O-])ccc2[N+](=O)[O-])c(OC)c1 ZINC000255834434 1296570077 /nfs/dbraw/zinc/57/00/77/1296570077.db2.gz PUDGDKLZJBBNHF-BAQGIRSFSA-N -1 0 329.308 3.214 20 30 EGEDRM Cn1nc2c(c1C=NNc1ccc(Cl)c(C(=O)[O-])c1)CCCC2 ZINC000872326301 1296914386 /nfs/dbraw/zinc/91/43/86/1296914386.db2.gz YPVHPCGPIUOJSZ-UHFFFAOYSA-N -1 0 332.791 3.097 20 30 EGEDRM CCCCCCCCCNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000746116612 1298536717 /nfs/dbraw/zinc/53/67/17/1298536717.db2.gz KTBBEEMINCLFOA-UHFFFAOYSA-N -1 0 346.431 3.225 20 30 EGEDRM CCCn1cc(/C=C\C(=O)c2cc(C(=O)[O-])ccc2OC(C)C)nn1 ZINC000876498346 1298794552 /nfs/dbraw/zinc/79/45/52/1298794552.db2.gz VOXGNSKZNYTEQV-SREVYHEPSA-N -1 0 343.383 3.070 20 30 EGEDRM C/C(=C/C(=O)Nc1nc(C#N)c(C#N)[n-]1)c1ccc(C(F)(F)F)cc1 ZINC000749727084 1299262220 /nfs/dbraw/zinc/26/22/20/1299262220.db2.gz YOEZJNHLKNBWSZ-TWGQIWQCSA-N -1 0 345.284 3.214 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])cc1C=NNCc1ccc(C(F)(F)F)cc1 ZINC000751131178 1299513423 /nfs/dbraw/zinc/51/34/23/1299513423.db2.gz SFADJMIQMRKUMP-UHFFFAOYSA-N -1 0 339.273 3.443 20 30 EGEDRM O=C([O-])c1ccc(NN=Cc2c(C3CC3)nc3sccn23)cc1 ZINC000755455705 1300340528 /nfs/dbraw/zinc/34/05/28/1300340528.db2.gz PRBVPQORAHCPEX-UHFFFAOYSA-N -1 0 326.381 3.417 20 30 EGEDRM COc1cc(C=NNc2ccc(F)cc2C)ccc1OCC(=O)[O-] ZINC000755803153 1300399900 /nfs/dbraw/zinc/39/99/00/1300399900.db2.gz ZDILUTPQHXINIZ-UHFFFAOYSA-N -1 0 332.331 3.052 20 30 EGEDRM COc1ccc(C(=O)/C=C/c2ccc(-n3cncn3)c(F)c2)c([O-])c1 ZINC000757472686 1300674828 /nfs/dbraw/zinc/67/48/28/1300674828.db2.gz RRQLVXXYFZOEMN-XVNBXDOJSA-N -1 0 339.326 3.017 20 30 EGEDRM COc1cc(/C=C\C(=O)c2cc(F)cc(F)c2[O-])ccc1OCC#N ZINC000757475096 1300674973 /nfs/dbraw/zinc/67/49/73/1300674973.db2.gz HHUVCQSWLVSFRN-RQOWECAXSA-N -1 0 345.301 3.477 20 30 EGEDRM COc1ccc(OC)c(CCC/N=C/c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000759033918 1301001397 /nfs/dbraw/zinc/00/13/97/1301001397.db2.gz BDWBAFIVFFIPQG-XDHOZWIPSA-N -1 0 344.367 3.369 20 30 EGEDRM Cc1ccc(/C=C\C(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1[N+](=O)[O-] ZINC000759089929 1301013323 /nfs/dbraw/zinc/01/33/23/1301013323.db2.gz ILXJKEJMPFWWIJ-XQRVVYSFSA-N -1 0 328.280 3.413 20 30 EGEDRM CCC[C@@H](C)C(=O)C(C#N)=C([O-])c1c(C)[nH]c(C)c1C(=O)OCC ZINC000759236035 1301046829 /nfs/dbraw/zinc/04/68/29/1301046829.db2.gz GWBKNXJCMPCGBA-MFKMUULPSA-N -1 0 332.400 3.136 20 30 EGEDRM CCOC(=O)c1c(C)[nH]c(C)c1C(=O)C(C#N)=C([O-])c1cccs1 ZINC000759243139 1301048656 /nfs/dbraw/zinc/04/86/56/1301048656.db2.gz SBXVMKCPYAEWSA-LLVKDONJSA-N -1 0 344.392 3.075 20 30 EGEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2cc(Cl)cs2)cc1 ZINC000759440369 1301093033 /nfs/dbraw/zinc/09/30/33/1301093033.db2.gz IQETVMFRTZAXKP-CYBMUJFWSA-N -1 0 348.811 3.049 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cccc([C@H]2CCOC2)c1 ZINC000762025743 1301594401 /nfs/dbraw/zinc/59/44/01/1301594401.db2.gz VIVDCUYCZDGDGS-ZWKOTPCHSA-N -1 0 342.439 3.209 20 30 EGEDRM COc1nccnc1N=NC(C)c1ccc(Cl)c(Cl)c1[O-] ZINC000763422088 1301900911 /nfs/dbraw/zinc/90/09/11/1301900911.db2.gz NDBZVHIMPASLDN-UHFFFAOYSA-N -1 0 327.171 3.334 20 30 EGEDRM CC(=Nn1c(C(F)(F)F)n[n-]c1=S)c1ccc(C(C)(C)O)cc1 ZINC000767365644 1302651440 /nfs/dbraw/zinc/65/14/40/1302651440.db2.gz AAUFTPAHJSGXBV-UHFFFAOYSA-N -1 0 344.362 3.085 20 30 EGEDRM [O-]c1c(Cl)cc(Cl)cc1/C=N/[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000770568840 1303287034 /nfs/dbraw/zinc/28/70/34/1303287034.db2.gz PRHOEIJXVMNCML-BUGXMPDNSA-N -1 0 330.211 3.456 20 30 EGEDRM CCOc1ccccc1-c1cccc(C([O-])=C(C#N)C(=O)NC2CC2)c1 ZINC000772643609 1303558015 /nfs/dbraw/zinc/55/80/15/1303558015.db2.gz BOENSZSCIKGLKG-SFHVURJKSA-N -1 0 348.402 3.353 20 30 EGEDRM C#C[C@@H](C)/N=C\c1cc(Br)cc(Br)c1[O-] ZINC000773905263 1303752715 /nfs/dbraw/zinc/75/27/15/1303752715.db2.gz KDZSDSHXYBUPRK-UNDSANKCSA-N -1 0 331.007 3.358 20 30 EGEDRM N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)=C([O-])c1nccs1 ZINC000774052212 1303768056 /nfs/dbraw/zinc/76/80/56/1303768056.db2.gz LPRDTWNDQAYIGL-SNVBAGLBSA-N -1 0 340.191 3.411 20 30 EGEDRM COc1ccc(NC(=O)C(C#N)=C([O-])c2cc(C)sn2)cc1Cl ZINC000774052131 1303768307 /nfs/dbraw/zinc/76/83/07/1303768307.db2.gz KUQQWZYMIYFTQI-SNVBAGLBSA-N -1 0 349.799 3.075 20 30 EGEDRM CC(=O)c1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)o1 ZINC000774050767 1303768763 /nfs/dbraw/zinc/76/87/63/1303768763.db2.gz GYLXYHDVFVYNCR-SNVBAGLBSA-N -1 0 348.717 3.236 20 30 EGEDRM CN1C(=O)CCc2cc(/C=C/C(=O)c3ccc(C(=O)[O-])s3)ccc21 ZINC000774115128 1303776084 /nfs/dbraw/zinc/77/60/84/1303776084.db2.gz NRYKBUMMJRPTLB-ZZXKWVIFSA-N -1 0 341.388 3.251 20 30 EGEDRM O=C([O-])c1ccc(N=NCCCc2ccc3c(c2)OCCO3)cc1 ZINC000774575593 1303829897 /nfs/dbraw/zinc/82/98/97/1303829897.db2.gz PPSAGWXLEHBHSI-UHFFFAOYSA-N -1 0 326.352 3.187 20 30 EGEDRM O=C([N-]OC1CCCC1)C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000775223049 1303926022 /nfs/dbraw/zinc/92/60/22/1303926022.db2.gz YUALUZSKYBXELM-UHFFFAOYSA-N -1 0 348.402 3.015 20 30 EGEDRM CCCCCCCC[C@H](C)CC(=O)[N-]S(=O)(=O)c1cnccn1 ZINC000775256102 1303930570 /nfs/dbraw/zinc/93/05/70/1303930570.db2.gz VKSANQHYPANVPP-AWEZNQCLSA-N -1 0 341.477 3.058 20 30 EGEDRM N#Cc1ccc(C(=O)/C=C/c2ccc(OCCC(=O)[O-])cc2)cc1F ZINC000776727515 1304188799 /nfs/dbraw/zinc/18/87/99/1304188799.db2.gz YYLSCQBQQBTUHK-FPYGCLRLSA-N -1 0 339.322 3.447 20 30 EGEDRM CC(C)[C@H](Cc1ccccc1)NN=Cc1ccc(OCC(=O)[O-])cc1 ZINC000777447782 1304298761 /nfs/dbraw/zinc/29/87/61/1304298761.db2.gz JCQNHOYWBJZJFC-IBGZPJMESA-N -1 0 340.423 3.341 20 30 EGEDRM C=CC[C@@H](C(=O)OCC(=O)[N-]OCc1ccccc1)c1ccccc1 ZINC000778417238 1304447560 /nfs/dbraw/zinc/44/75/60/1304447560.db2.gz GERRQISJGLRQTI-GOSISDBHSA-N -1 0 339.391 3.138 20 30 EGEDRM C=CC[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(C)cc1F)c1ccccc1 ZINC000778658758 1304477839 /nfs/dbraw/zinc/47/78/39/1304477839.db2.gz VRVUQHNCPACEGQ-OAHLLOKOSA-N -1 0 347.411 3.299 20 30 EGEDRM CC(C)CC1(C(=O)[N-]S(=O)(=O)CC2(C#N)CCCC2)CCCC1 ZINC000779313413 1304554813 /nfs/dbraw/zinc/55/48/13/1304554813.db2.gz PRTLTEGTCJEOKA-UHFFFAOYSA-N -1 0 340.489 3.123 20 30 EGEDRM C[C@@H](C#N)Oc1ccccc1NC(=O)C[C@@H](C(=O)[O-])c1ccccc1 ZINC000779703667 1304594061 /nfs/dbraw/zinc/59/40/61/1304594061.db2.gz KEPDFQULVLFPKH-DZGCQCFKSA-N -1 0 338.363 3.174 20 30 EGEDRM COc1ccc([C@H]([N-]C(=O)C(F)(F)C(F)F)C(F)(F)F)cc1 ZINC000780300637 1304673813 /nfs/dbraw/zinc/67/38/13/1304673813.db2.gz GFWYILRIWBYCHB-QMMMGPOBSA-N -1 0 333.203 3.315 20 30 EGEDRM C#CC[C@H](NC(=O)N1CCc2ccccc2[C@H]1C(=O)[O-])c1ccccc1 ZINC000780697764 1304726235 /nfs/dbraw/zinc/72/62/35/1304726235.db2.gz QRUDIGCWTADZJB-OALUTQOASA-N -1 0 348.402 3.145 20 30 EGEDRM Cn1nc(C(F)(F)F)c(C=NNc2ccc(C(=O)[O-])cc2)c1Cl ZINC000781573979 1304844101 /nfs/dbraw/zinc/84/41/01/1304844101.db2.gz LTZVJKVKKBEDJZ-UHFFFAOYSA-N -1 0 346.696 3.237 20 30 EGEDRM C=C1CCC(C(=O)[N-]S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000892399405 1305352241 /nfs/dbraw/zinc/35/22/41/1305352241.db2.gz FABYWZXZDDJZGE-UHFFFAOYSA-N -1 0 329.421 3.391 20 30 EGEDRM CCCCS[C@@H](C)C(=O)OCC([O-])=C(C#N)c1nc(C)cs1 ZINC000785748909 1305422513 /nfs/dbraw/zinc/42/25/13/1305422513.db2.gz MNCYSCNHYPZRHC-RYUDHWBXSA-N -1 0 340.470 3.093 20 30 EGEDRM CCCCS[C@@H](C)C(=O)OCC([O-])=C(C#N)c1nc(C)cs1 ZINC000785748907 1305423499 /nfs/dbraw/zinc/42/34/99/1305423499.db2.gz MNCYSCNHYPZRHC-NWDGAFQWSA-N -1 0 340.470 3.093 20 30 EGEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1cc2c(cncc2Cl)s1 ZINC000892530639 1305426936 /nfs/dbraw/zinc/42/69/36/1305426936.db2.gz TUGWTKKVUDZJLH-NSHDSACASA-N -1 0 347.827 3.331 20 30 EGEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2ccc3c(c2)CCC3)c1 ZINC000786549071 1305595052 /nfs/dbraw/zinc/59/50/52/1305595052.db2.gz FHWCUEGTQATKOV-LJQANCHMSA-N -1 0 332.403 3.123 20 30 EGEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2cc(C)c(F)c(C)c2)c1 ZINC000786547258 1305595581 /nfs/dbraw/zinc/59/55/81/1305595581.db2.gz PIMSZACVLZFMJC-QGZVFWFLSA-N -1 0 338.382 3.390 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)C(=O)NCc2ccc(F)cc2F)sc1C ZINC000786563343 1305599580 /nfs/dbraw/zinc/59/95/80/1305599580.db2.gz UPEDFFDXXGYCDR-ZDUSSCGKSA-N -1 0 348.374 3.282 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)C(=O)NCc2ccc(F)cc2F)sc1C ZINC000786563340 1305599874 /nfs/dbraw/zinc/59/98/74/1305599874.db2.gz UPEDFFDXXGYCDR-CYBMUJFWSA-N -1 0 348.374 3.282 20 30 EGEDRM Cc1ccc2nc(C=NNc3ccc(Cl)c(C(=O)[O-])c3)cn2c1 ZINC000788940733 1306046527 /nfs/dbraw/zinc/04/65/27/1306046527.db2.gz VRGKNLPGPCTAAS-UHFFFAOYSA-N -1 0 328.759 3.440 20 30 EGEDRM COc1ncc(C(=O)/C=C\c2cc([O-])ccc2[N+](=O)[O-])cc1Cl ZINC000789158454 1306101474 /nfs/dbraw/zinc/10/14/74/1306101474.db2.gz WTGKRCIEHUPMCF-DJWKRKHSSA-N -1 0 334.715 3.254 20 30 EGEDRM O=C(/C=C\c1nccn1-c1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000790225687 1306279535 /nfs/dbraw/zinc/27/95/35/1306279535.db2.gz SDXUDXYVEOFTKW-HJWRWDBZSA-N -1 0 335.319 3.382 20 30 EGEDRM Cc1nn(C)c(/C=C/C(=O)c2ccc(F)cc2[O-])c1Br ZINC000790599888 1306357494 /nfs/dbraw/zinc/35/74/94/1306357494.db2.gz FVFYLUJVHZYKCG-AATRIKPKSA-N -1 0 339.164 3.232 20 30 EGEDRM CCCCCCC[C@@H](CC(=O)[O-])NS(=O)(=O)c1cc(C)oc1C ZINC000792564499 1309189096 /nfs/dbraw/zinc/18/90/96/1309189096.db2.gz XBCPNUADDQELSW-AWEZNQCLSA-N -1 0 345.461 3.379 20 30 EGEDRM CN(C)C(=O)c1ccc(C(=O)/C=C/c2cc(C(=O)[O-])cs2)cc1 ZINC000792927536 1309262982 /nfs/dbraw/zinc/26/29/82/1309262982.db2.gz WTNSDDQBOVPURW-BQYQJAHWSA-N -1 0 329.377 3.044 20 30 EGEDRM CC[C@@H](NN=Cc1ccc(-c2nc3ccccc3s2)o1)C(=O)[O-] ZINC000793054148 1309288646 /nfs/dbraw/zinc/28/86/46/1309288646.db2.gz CTMCJSNFMQDUKZ-LLVKDONJSA-N -1 0 329.381 3.343 20 30 EGEDRM CC[C@H](NN=C1CCCc2nc(-c3ccccc3F)sc21)C(=O)[O-] ZINC000793054500 1309288680 /nfs/dbraw/zinc/28/86/80/1309288680.db2.gz GOTSLPVLQFDNIK-LBPRGKRZSA-N -1 0 347.415 3.442 20 30 EGEDRM CC[C@@H](NN=Cc1ccc(OCc2ccc(C)cc2)cc1)C(=O)[O-] ZINC000793072012 1309290298 /nfs/dbraw/zinc/29/02/98/1309290298.db2.gz NTUIBCDDAQMVJF-GOSISDBHSA-N -1 0 326.396 3.361 20 30 EGEDRM C[C@]1(C#N)CCCN(Cc2cc(=O)oc3cc([O-])c(Cl)cc23)C1 ZINC000794570108 1309548444 /nfs/dbraw/zinc/54/84/44/1309548444.db2.gz NSYZDOCMJRMEJZ-QGZVFWFLSA-N -1 0 332.787 3.278 20 30 EGEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N/Cc2cnn3ccccc23)c1[O-] ZINC000794676286 1309570529 /nfs/dbraw/zinc/57/05/29/1309570529.db2.gz LQGUYOHHQHCDOU-REZTVBANSA-N -1 0 330.731 3.221 20 30 EGEDRM O=C(/C=C\c1cc(F)c([O-])c(F)c1)c1ccccc1-n1ccnn1 ZINC000794731510 1309586111 /nfs/dbraw/zinc/58/61/11/1309586111.db2.gz JZRZDOSUOZUKFF-WAYWQWQTSA-N -1 0 327.290 3.147 20 30 EGEDRM CCC[C@@](C)(CC)C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000796690421 1310065781 /nfs/dbraw/zinc/06/57/81/1310065781.db2.gz PRDAFSWPNCGXIV-OAHLLOKOSA-N -1 0 342.848 3.233 20 30 EGEDRM CC(C)c1c(Cl)ncnc1N=NCc1ccc([N+](=O)[O-])c([O-])c1 ZINC000797405113 1310185226 /nfs/dbraw/zinc/18/52/26/1310185226.db2.gz YCTJESPFELOFTF-UHFFFAOYSA-N -1 0 335.751 3.313 20 30 EGEDRM N#Cc1cc(Cl)ncc1[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000798210593 1310317896 /nfs/dbraw/zinc/31/78/96/1310317896.db2.gz ADYWBGQOLCGCQQ-UHFFFAOYSA-N -1 0 345.811 3.336 20 30 EGEDRM C=CC[C@H](C(=O)[N-]S(=O)(=O)Cc1ccccc1C)c1ccccc1 ZINC000798900199 1310456467 /nfs/dbraw/zinc/45/64/67/1310456467.db2.gz OOECAWPZKQEUJO-SFHVURJKSA-N -1 0 343.448 3.301 20 30 EGEDRM CCCCCCCS(=O)(=O)[N-]c1ccccc1S(=O)(=O)CC ZINC000799643841 1310593896 /nfs/dbraw/zinc/59/38/96/1310593896.db2.gz MEBYJDSYJKGXDB-UHFFFAOYSA-N -1 0 347.502 3.192 20 30 EGEDRM Cc1ccc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1C#N ZINC000799714970 1310604230 /nfs/dbraw/zinc/60/42/30/1310604230.db2.gz ALGNTRHOZPOKDN-UHFFFAOYSA-N -1 0 331.715 3.386 20 30 EGEDRM N#CCN(C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-])C1CCCC1 ZINC000820152505 1319842597 /nfs/dbraw/zinc/84/25/97/1319842597.db2.gz SFVQRFAFCMIOEG-UHFFFAOYSA-N -1 0 338.363 3.373 20 30 EGEDRM N#Cc1cccc([N-]S(=O)(=O)c2csnc2-c2ccccc2)c1 ZINC000821123960 1320000364 /nfs/dbraw/zinc/00/03/64/1320000364.db2.gz KGEYLUGFLWUZAW-UHFFFAOYSA-N -1 0 341.417 3.483 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(Cl)nc2C)n1 ZINC000802056356 1316977004 /nfs/dbraw/zinc/97/70/04/1316977004.db2.gz KRKDMIZHZAEWID-SNVBAGLBSA-N -1 0 349.799 3.167 20 30 EGEDRM CCC(C)(C)C1CCC(CC(=O)[N-]S(=O)(=O)CCCC#N)CC1 ZINC000802127434 1316980484 /nfs/dbraw/zinc/98/04/84/1316980484.db2.gz ZYIROWJCZGOTNG-UHFFFAOYSA-N -1 0 342.505 3.369 20 30 EGEDRM C[C@@H](Oc1cccc(C(=O)/C=C/c2cnn(C3CCC3)c2)c1)C(=O)[O-] ZINC000899350935 1316998477 /nfs/dbraw/zinc/99/84/77/1316998477.db2.gz USJIRSJHQVKJFO-MMQHEFTJSA-N -1 0 340.379 3.356 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)Nc1ccc(N2CCCC[C@@H]2C)cc1C ZINC000900342602 1317277972 /nfs/dbraw/zinc/27/79/72/1317277972.db2.gz RFIMXEOTLACCFK-HNNXBMFYSA-N -1 0 345.443 3.478 20 30 EGEDRM CC(N=Nc1ccc(C(=O)[O-])cc1F)c1ccnn1CC1CCC1 ZINC000901249413 1317397418 /nfs/dbraw/zinc/39/74/18/1317397418.db2.gz XFEJYGPAFDJLHP-UHFFFAOYSA-N -1 0 330.363 3.357 20 30 EGEDRM Cc1cccn2c(/C=C3\C[C@@H](C(=O)[O-])c4ccccc4C3=O)cnc12 ZINC000806562308 1317501993 /nfs/dbraw/zinc/50/19/93/1317501993.db2.gz IHRWFGFUVVSZLN-JZUUQJBKSA-N -1 0 332.359 3.481 20 30 EGEDRM CCCCCCCCCS(=O)(=O)[N-]c1nnn(C)c1C(F)F ZINC000903688164 1317722071 /nfs/dbraw/zinc/72/20/71/1317722071.db2.gz HSORIFURWQCZQE-UHFFFAOYSA-N -1 0 338.424 3.245 20 30 EGEDRM COc1cc(C)cc2c1OC/C(=C/c1ccc(O)c(C(=O)[O-])c1)C2=O ZINC000809153841 1317776000 /nfs/dbraw/zinc/77/60/00/1317776000.db2.gz GSYZKZXVERGBFT-GHXNOFRVSA-N -1 0 340.331 3.066 20 30 EGEDRM COc1ccc(C(=O)/C=C/c2ccc(O)c(C(=O)[O-])c2)c(C)c1OC ZINC000809156700 1317776057 /nfs/dbraw/zinc/77/60/57/1317776057.db2.gz JGXOPEFEFNFUIB-QPJJXVBHSA-N -1 0 342.347 3.312 20 30 EGEDRM O=C([O-])c1cc(/C=C2\COc3c(F)ccc(F)c3C2=O)ccc1O ZINC000809156780 1317777026 /nfs/dbraw/zinc/77/70/26/1317777026.db2.gz FRFNUGBAZWLAPS-WEVVVXLNSA-N -1 0 332.258 3.027 20 30 EGEDRM O=C(CC1CCC2(CC1)OCCO2)N(O)Cc1ccccc1Cl ZINC000904191111 1317806839 /nfs/dbraw/zinc/80/68/39/1317806839.db2.gz UAOOMVFMCIDKOD-UHFFFAOYSA-N -1 0 339.819 3.381 20 30 EGEDRM CC[C@H](CN1CCOCC1)/N=C\c1cc(Cl)cc(Cl)c1[O-] ZINC000905002748 1317913674 /nfs/dbraw/zinc/91/36/74/1317913674.db2.gz LSMWXQGOPYOSDA-ODGFMFMFSA-N -1 0 331.243 3.229 20 30 EGEDRM O=C(C=Cc1ccc(N2CCC(O)CC2)cc1)c1sccc1[O-] ZINC000905073052 1317919255 /nfs/dbraw/zinc/91/92/55/1317919255.db2.gz HHZJRTGEMUBZKD-ZZXKWVIFSA-N -1 0 329.421 3.311 20 30 EGEDRM C#CCCS(=O)(=O)[N-]C(=O)CC1CCC(C(C)(C)CC)CC1 ZINC000810782466 1318056013 /nfs/dbraw/zinc/05/60/13/1318056013.db2.gz QAHNNKXJEGXGBL-UHFFFAOYSA-N -1 0 327.490 3.088 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)C(C)(C)c2ccc(CC)cc2)CC1 ZINC000810982055 1318085418 /nfs/dbraw/zinc/08/54/18/1318085418.db2.gz XTNHJDXZUNYPIZ-UHFFFAOYSA-N -1 0 335.469 3.081 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2cccc(OC3CCCC3)c2)CC1 ZINC000810986372 1318086819 /nfs/dbraw/zinc/08/68/19/1318086819.db2.gz XJEAQGRYZBBYOE-UHFFFAOYSA-N -1 0 349.452 3.176 20 30 EGEDRM C=CCC[C@@H](C(=O)[N-]S(=O)(=O)C1(CC=C)CC1)c1ccccc1 ZINC000810983292 1318087135 /nfs/dbraw/zinc/08/71/35/1318087135.db2.gz PBNDIBUBDCLOHU-MRXNPFEDSA-N -1 0 333.453 3.291 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2ccc(C(C)C)cn2)n1 ZINC000811260804 1318135707 /nfs/dbraw/zinc/13/57/07/1318135707.db2.gz LJECDRCGWHQTMG-ZDUSSCGKSA-N -1 0 343.408 3.003 20 30 EGEDRM C=CCCCCCCCNC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000811590104 1318206266 /nfs/dbraw/zinc/20/62/66/1318206266.db2.gz PHVWTZCOMOFBKO-UHFFFAOYSA-N -1 0 329.400 3.286 20 30 EGEDRM O=C([O-])c1cccc(/C=C/C(=O)c2ccc(Br)nc2)c1 ZINC000811698339 1318230977 /nfs/dbraw/zinc/23/09/77/1318230977.db2.gz ZVUXIXWMFZZYMT-GQCTYLIASA-N -1 0 332.153 3.438 20 30 EGEDRM CC(=NNc1ccc(Cl)c(C(=O)[O-])c1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000812377050 1318378397 /nfs/dbraw/zinc/37/83/97/1318378397.db2.gz ZNVIMQUTCOLGJL-UHFFFAOYSA-N -1 0 344.758 3.456 20 30 EGEDRM Cc1cccc(C)c1NC(=S)NN=C1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000814707519 1318801644 /nfs/dbraw/zinc/80/16/44/1318801644.db2.gz QVUBPPFTECTULS-OCCSQVGLSA-N -1 0 333.457 3.467 20 30 EGEDRM Cc1occc1-c1nnc(SCC(=O)[O-])n1N=CCCC(C)C ZINC000814767957 1318812362 /nfs/dbraw/zinc/81/23/62/1318812362.db2.gz BCVATOFDANFNNH-UHFFFAOYSA-N -1 0 336.417 3.293 20 30 EGEDRM CC(N=Nc1ncccc1Cl)c1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000814810221 1318823052 /nfs/dbraw/zinc/82/30/52/1318823052.db2.gz DBWZSZXZBIFIHG-LLVKDONJSA-N -1 0 333.775 3.423 20 30 EGEDRM C[C@@H]1C(N=Nc2nc(-c3ccncc3)no2)CC[C@H](C(=O)[O-])C1(C)C ZINC000814827322 1318825041 /nfs/dbraw/zinc/82/50/41/1318825041.db2.gz FCSONCDSAJBOAP-ZYHUDNBSSA-N -1 0 343.387 3.056 20 30 EGEDRM CC(CC1(C(=O)[O-])CCC1)N=Nc1ccc(Br)nc1 ZINC000814847288 1318829528 /nfs/dbraw/zinc/82/95/28/1318829528.db2.gz ICCKLFYVXXNUPS-UHFFFAOYSA-N -1 0 326.194 3.277 20 30 EGEDRM CC(CCc1ccc(OCC(=O)[O-])cc1)N=Nc1nccnc1Cl ZINC000814850533 1318831549 /nfs/dbraw/zinc/83/15/49/1318831549.db2.gz RJIBYNVSLBKZDL-UHFFFAOYSA-N -1 0 348.790 3.014 20 30 EGEDRM C[C@H]1C[C@@H](C(=O)[O-])CCC1N=Nc1ccnc(Br)c1 ZINC000814904682 1318845013 /nfs/dbraw/zinc/84/50/13/1318845013.db2.gz UNQYEVMSDHEXFN-IUCAKERBSA-N -1 0 326.194 3.133 20 30 EGEDRM FC(F)(F)[C@H]1C=C(NN=c2[n-]nc(-c3ccccn3)s2)CCO1 ZINC000814911146 1318847631 /nfs/dbraw/zinc/84/76/31/1318847631.db2.gz UTBLCPPUDWCPEN-SNVBAGLBSA-N -1 0 343.334 3.109 20 30 EGEDRM COc1ccccc1CON=C(C)c1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000814924299 1318849836 /nfs/dbraw/zinc/84/98/36/1318849836.db2.gz YXWBXDVPUFWRDZ-AWEZNQCLSA-N -1 0 343.379 3.488 20 30 EGEDRM COc1ccccc1CON=C(C)c1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000814924301 1318850446 /nfs/dbraw/zinc/85/04/46/1318850446.db2.gz YXWBXDVPUFWRDZ-CQSZACIVSA-N -1 0 343.379 3.488 20 30 EGEDRM CC(CCc1ccc(O[C@H](C)C(=O)[O-])cc1)N=Nc1cccc(F)n1 ZINC000814927980 1318851287 /nfs/dbraw/zinc/85/12/87/1318851287.db2.gz QAQZYHAYKVNFRP-CYBMUJFWSA-N -1 0 345.374 3.493 20 30 EGEDRM CC(C)OCCON=C1CC(C(=O)[O-])(c2cccc(Cl)c2)C1 ZINC000814936832 1318854909 /nfs/dbraw/zinc/85/49/09/1318854909.db2.gz LIKGEZCBYBCCGV-UHFFFAOYSA-N -1 0 325.792 3.254 20 30 EGEDRM CCOc1ccc(NN=Cc2cccc(O[C@H](C)C(=O)[O-])c2)cc1 ZINC000814983794 1318862543 /nfs/dbraw/zinc/86/25/43/1318862543.db2.gz FHJHZJQEJLEFBS-CYBMUJFWSA-N -1 0 328.368 3.383 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1nsc2ccc(C)cc21 ZINC000815905441 1319071093 /nfs/dbraw/zinc/07/10/93/1319071093.db2.gz NKPMXEXSZWBUPD-ZDUSSCGKSA-N -1 0 329.425 3.234 20 30 EGEDRM CCCCCCCC(=O)N[C@@H](C)[C@@H](C)C(=O)Nc1ncccc1O ZINC000816611286 1319193933 /nfs/dbraw/zinc/19/39/33/1319193933.db2.gz LWDMPSZWZGOQEO-KGLIPLIRSA-N -1 0 335.448 3.227 20 30 EGEDRM CN(C)c1cc(C#N)cc(C(=O)Nc2cc(Cl)c([O-])cc2F)c1 ZINC000816661576 1319202947 /nfs/dbraw/zinc/20/29/47/1319202947.db2.gz RDELXESRBKEXIF-UHFFFAOYSA-N -1 0 333.750 3.375 20 30 EGEDRM COc1ccc(C(=O)/C=C/c2ccc(F)cc2F)cc1CC(=O)[O-] ZINC000916546819 1319668736 /nfs/dbraw/zinc/66/87/36/1319668736.db2.gz HYOJDWSBBOKOLA-ZZXKWVIFSA-N -1 0 332.302 3.497 20 30 EGEDRM CSCc1c2ccccc2oc1C([O-])=C(C#N)C(=O)NC(C)C ZINC000916945338 1319727529 /nfs/dbraw/zinc/72/75/29/1319727529.db2.gz NMKSNZFOMHZKSQ-GFCCVEGCSA-N -1 0 330.409 3.143 20 30 EGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)C[C@@H](C)n1cccn1 ZINC000819937717 1319807067 /nfs/dbraw/zinc/80/70/67/1319807067.db2.gz VLUJABKRXOLOBS-DOMZBBRYSA-N -1 0 334.379 3.216 20 30 EGEDRM COc1ccc2cc(C(C)=NNc3[n-]cnc4ncnc3-4)ccc2c1 ZINC000917554541 1319836071 /nfs/dbraw/zinc/83/60/71/1319836071.db2.gz AVPULYLKCFNUIY-UHFFFAOYSA-N -1 0 332.367 3.351 20 30 EGEDRM C[C@]1(C#N)CCCN(C(=O)c2ccc(-c3ccc(C=O)o3)cc2[O-])C1 ZINC000821868247 1320038585 /nfs/dbraw/zinc/03/85/85/1320038585.db2.gz QEFGLIXOQHWVLZ-LJQANCHMSA-N -1 0 338.363 3.231 20 30 EGEDRM C=CCO[N-]C(=O)[C@H](NC(=O)OC(C)(C)C)c1cccc(Cl)c1 ZINC000837047615 1320568759 /nfs/dbraw/zinc/56/87/59/1320568759.db2.gz HJFDPHJFDVRYCX-CYBMUJFWSA-N -1 0 340.807 3.140 20 30 EGEDRM CC(C)(C)c1[n-]n(Cc2ccc([N+](=O)[O-])c(F)c2)c(=O)c1CCC#N ZINC000842649211 1321413260 /nfs/dbraw/zinc/41/32/60/1321413260.db2.gz BKNBEJMBEZUTLN-UHFFFAOYSA-N -1 0 346.362 3.438 20 30 EGEDRM C=C(C)CO[N-]C(=O)C(=O)Nc1ccc(SC(C)(C)C)cc1C ZINC000846149376 1321771762 /nfs/dbraw/zinc/77/17/62/1321771762.db2.gz MNSRPSFRNUHTIL-UHFFFAOYSA-N -1 0 336.457 3.448 20 30 EGEDRM C=C(C)CO[N-]C(=O)CSCc1ccc(Br)cc1 ZINC000846540775 1321791588 /nfs/dbraw/zinc/79/15/88/1321791588.db2.gz JRXWEWAIXQMXIZ-UHFFFAOYSA-N -1 0 330.247 3.306 20 30 EGEDRM C[C@H](C/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-])C(=O)OC(C)(C)C ZINC000846757248 1321805196 /nfs/dbraw/zinc/80/51/96/1321805196.db2.gz WEFLUSBBSURGAJ-YFEDRJBBSA-N -1 0 342.779 3.351 20 30 EGEDRM Cn1cc(/C=C\C(=O)c2ccc(CC(=O)[O-])cc2)c(-c2ccncc2)n1 ZINC000920067674 1322133567 /nfs/dbraw/zinc/13/35/67/1322133567.db2.gz AZJKUKKWFMNHIV-SREVYHEPSA-N -1 0 347.374 3.005 20 30 EGEDRM Cc1ccc(-c2ccc(C=NNc3nnc(C)c(=O)[n-]3)s2)cc1 ZINC000920481843 1322182638 /nfs/dbraw/zinc/18/26/38/1322182638.db2.gz AZGDPYQBNNKBNS-UHFFFAOYSA-N -1 0 325.397 3.369 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])[C@@]2(C(=O)OC(C)(C)C)CC2(C)C)n1 ZINC000850736688 1322281334 /nfs/dbraw/zinc/28/13/34/1322281334.db2.gz LMFVCXDLWXEVEW-PIGZYNQJSA-N -1 0 334.441 3.386 20 30 EGEDRM CC[C@@](C)(C#N)C(=O)NC[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000923064788 1322685553 /nfs/dbraw/zinc/68/55/53/1322685553.db2.gz JORPWLZHAKLKNZ-XLIONFOSSA-N -1 0 338.407 3.139 20 30 EGEDRM C#CCCCCC(=O)[N-]S(=O)(=O)c1ccc(OC2CCCC2)cc1 ZINC000851471128 1323047875 /nfs/dbraw/zinc/04/78/75/1323047875.db2.gz MHJLSJJOOUYQJO-UHFFFAOYSA-N -1 0 349.452 3.007 20 30 EGEDRM C=CC[C@@H](NC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-])c1ccncc1 ZINC000929033229 1328492773 /nfs/dbraw/zinc/49/27/73/1328492773.db2.gz KXNJQKWJJJLLJT-SJORKVTESA-N -1 0 345.443 3.422 20 30 EGEDRM COC(=O)Cc1ccc(N=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC000863950689 1329591463 /nfs/dbraw/zinc/59/14/63/1329591463.db2.gz IEWCBFCFNZUGDQ-UHFFFAOYSA-N -1 0 348.742 3.420 20 30 EGEDRM Cc1cc(C#N)c([N-]S(=O)(=O)c2cccc(Cl)n2)cc1Cl ZINC001198237471 1368985660 /nfs/dbraw/zinc/98/56/60/1368985660.db2.gz DIAASPCLPOJANJ-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM O=C([N-]C1CCC(C(F)(F)F)CC1)C(F)(F)OCC(F)(F)F ZINC001183195303 1387276489 /nfs/dbraw/zinc/27/64/89/1387276489.db2.gz UYQQUVIXWHCIAZ-UHFFFAOYSA-N -1 0 343.214 3.395 20 30 EGEDRM CC(C)CC[C@H](NC(=O)CCC(=O)C1=CC=C[CH]1)C(=O)OC(C)(C)C ZINC001184246024 1387419277 /nfs/dbraw/zinc/41/92/77/1387419277.db2.gz IJJZIGRGXXFMRZ-INIZCTEOSA-N -1 0 348.463 3.299 20 30 EGEDRM COc1ccc(-n2cccc2)c(NC(=O)CCC(=O)C2=CC=C[CH]2)c1 ZINC001184244981 1387419282 /nfs/dbraw/zinc/41/92/82/1387419282.db2.gz INCCQYZZQSLMMK-UHFFFAOYSA-N -1 0 335.383 3.474 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)c2cc3ccccc3s2)cc1C#N ZINC001185460799 1387721118 /nfs/dbraw/zinc/72/11/18/1387721118.db2.gz WVGOGBPISHTNNM-UHFFFAOYSA-N -1 0 339.401 3.445 20 30 EGEDRM N#CCc1ccc([N-]S(=O)(=O)c2cnc(Cl)cc2Cl)cc1 ZINC001324731187 1387755257 /nfs/dbraw/zinc/75/52/57/1387755257.db2.gz FVBPLMPFEOLULB-UHFFFAOYSA-N -1 0 342.207 3.255 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccc(F)c3ccccc32)cn1 ZINC001189354906 1367001755 /nfs/dbraw/zinc/00/17/55/1367001755.db2.gz BEIVDAOCSJRQGN-UHFFFAOYSA-N -1 0 327.340 3.046 20 30 EGEDRM N#Cc1cc(F)cc(F)c1[N-]S(=O)(=O)Cc1ccc(F)cc1F ZINC001189824779 1367115385 /nfs/dbraw/zinc/11/53/85/1367115385.db2.gz MRKXIWOCFYEXLF-UHFFFAOYSA-N -1 0 344.289 3.057 20 30 EGEDRM N#Cc1cc(NC(=O)c2csc(-c3ccncc3)n2)c([O-])cc1F ZINC001190341808 1367231367 /nfs/dbraw/zinc/23/13/67/1367231367.db2.gz NHKNKXRWVSACJS-UHFFFAOYSA-N -1 0 340.339 3.174 20 30 EGEDRM C#Cc1cc([N-]S(=O)(=O)c2cc(F)cc(F)c2F)ccc1F ZINC001190390325 1367249292 /nfs/dbraw/zinc/24/92/92/1367249292.db2.gz LANJCKMPFGPQJJ-UHFFFAOYSA-N -1 0 329.274 3.025 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cc(-c3cccs3)no2)c1 ZINC001190617509 1367309894 /nfs/dbraw/zinc/30/98/94/1367309894.db2.gz LIKWXHLFYUNMJE-UHFFFAOYSA-N -1 0 349.368 3.215 20 30 EGEDRM CC(C)(C)c1cc([N-]S(=O)(=O)c2cc(C#N)ccc2F)ccn1 ZINC001190617501 1367310008 /nfs/dbraw/zinc/31/00/08/1367310008.db2.gz LCKTVFIOVSWUMR-UHFFFAOYSA-N -1 0 333.388 3.191 20 30 EGEDRM CCOc1ccc(C)cc1[N-]S(=O)(=O)c1cc(C#N)ccc1F ZINC001190648253 1367315378 /nfs/dbraw/zinc/31/53/78/1367315378.db2.gz YHEVSYRSKZLGKM-UHFFFAOYSA-N -1 0 334.372 3.205 20 30 EGEDRM Cc1cncc2cccc([N-]S(=O)(=O)c3cc(C#N)ccc3F)c12 ZINC001190651150 1367316449 /nfs/dbraw/zinc/31/64/49/1367316449.db2.gz VNMKTLJFAPWTGV-UHFFFAOYSA-N -1 0 341.367 3.355 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cccc3cc(F)cnc32)c1 ZINC001190655312 1367319430 /nfs/dbraw/zinc/31/94/30/1367319430.db2.gz CZWZRNYVQADASF-UHFFFAOYSA-N -1 0 345.330 3.185 20 30 EGEDRM N#Cc1ccc(NC(=O)c2ccc(C#N)cc2C(F)(F)F)c([O-])c1 ZINC001192098682 1367687833 /nfs/dbraw/zinc/68/78/33/1367687833.db2.gz GWYDGKMFAWXICH-UHFFFAOYSA-N -1 0 331.253 3.407 20 30 EGEDRM Cc1csc([N-]S(=O)(=O)c2cnc(Cl)cc2C)c1C#N ZINC001192303610 1367744140 /nfs/dbraw/zinc/74/41/40/1367744140.db2.gz IYSWYKCYJCVGKD-UHFFFAOYSA-N -1 0 327.818 3.086 20 30 EGEDRM Cc1cc(Cl)ncc1S(=O)(=O)[N-]c1ccc([C@@H](C)C#N)cc1 ZINC001192356673 1367761614 /nfs/dbraw/zinc/76/16/14/1367761614.db2.gz WVOVYHWGJBYDME-NSHDSACASA-N -1 0 335.816 3.471 20 30 EGEDRM N#Cc1ccc(NC(=O)c2c(F)ccc(F)c2[O-])c2cccnc12 ZINC001192716719 1367860093 /nfs/dbraw/zinc/86/00/93/1367860093.db2.gz ZYOHEBWEUOFVLR-UHFFFAOYSA-N -1 0 325.274 3.343 20 30 EGEDRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(F)c(CC#N)c2)c1 ZINC001192817118 1367880734 /nfs/dbraw/zinc/88/07/34/1367880734.db2.gz AWZXRHZKQZTROI-UHFFFAOYSA-N -1 0 348.399 3.264 20 30 EGEDRM N#CCS(=O)(=O)[N-]c1cc(Cl)cc(OCc2ccccc2)c1 ZINC001192982465 1367915685 /nfs/dbraw/zinc/91/56/85/1367915685.db2.gz QGKOFWLEYXOMSH-UHFFFAOYSA-N -1 0 336.800 3.184 20 30 EGEDRM CCN(C(=O)c1cccc(C#N)c1[O-])[C@H](C)Cc1ccc(OC)cc1 ZINC001193635734 1368080952 /nfs/dbraw/zinc/08/09/52/1368080952.db2.gz ZQMFGJJWIRMRMW-CQSZACIVSA-N -1 0 338.407 3.366 20 30 EGEDRM CCN(C(=O)c1cccc(C#N)c1[O-])[C@@H](C)Cc1ccc(OC)cc1 ZINC001193635733 1368081139 /nfs/dbraw/zinc/08/11/39/1368081139.db2.gz ZQMFGJJWIRMRMW-AWEZNQCLSA-N -1 0 338.407 3.366 20 30 EGEDRM N#Cc1c(Cl)cccc1[N-]S(=O)(=O)Cc1noc2ccccc12 ZINC001194100037 1368183033 /nfs/dbraw/zinc/18/30/33/1368183033.db2.gz ZJZIAHXYZXVRGN-UHFFFAOYSA-N -1 0 347.783 3.295 20 30 EGEDRM N#Cc1cnoc1[N-]S(=O)(=O)c1ccc(-c2cccs2)cc1 ZINC001194142743 1368191332 /nfs/dbraw/zinc/19/13/32/1368191332.db2.gz XPCOINZDCWSPQK-UHFFFAOYSA-N -1 0 331.378 3.076 20 30 EGEDRM Cc1ncc(C#N)cc1[N-]S(=O)(=O)c1csc2ccccc21 ZINC001186455005 1387947180 /nfs/dbraw/zinc/94/71/80/1387947180.db2.gz NMVJWPXDKIGNSR-UHFFFAOYSA-N -1 0 329.406 3.277 20 30 EGEDRM CCc1cc(C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)ccc1C#N ZINC001197292862 1368781783 /nfs/dbraw/zinc/78/17/83/1368781783.db2.gz VUIVOPTWVUATBD-UHFFFAOYSA-N -1 0 332.363 3.264 20 30 EGEDRM C=C[C@@H](CO)NC(=O)c1cc(C(=O)CCCCCCC)ccc1[O-] ZINC001197366596 1368799270 /nfs/dbraw/zinc/79/92/70/1368799270.db2.gz ZJCDFARVIQZFRW-HNNXBMFYSA-N -1 0 333.428 3.212 20 30 EGEDRM N#Cc1ccnc([N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2F)c1 ZINC001201244149 1369504211 /nfs/dbraw/zinc/50/42/11/1369504211.db2.gz IFSPNXRRUXFHFP-UHFFFAOYSA-N -1 0 346.170 3.200 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2OC(C)C)cc1C#N ZINC001201317047 1369517236 /nfs/dbraw/zinc/51/72/36/1369517236.db2.gz NAWJRDYBKSTNKL-UHFFFAOYSA-N -1 0 330.409 3.455 20 30 EGEDRM Cc1nc(Cl)sc1S(=O)(=O)[N-]c1cc(F)cc(F)c1C#N ZINC001201763964 1369619657 /nfs/dbraw/zinc/61/96/57/1369619657.db2.gz MLWBPWUMBADMSI-UHFFFAOYSA-N -1 0 349.771 3.056 20 30 EGEDRM CN(CCC#N)Cc1cc(Br)cc(Br)c1[O-] ZINC001203562936 1370170382 /nfs/dbraw/zinc/17/03/82/1370170382.db2.gz POLOXGLABVQLAL-UHFFFAOYSA-N -1 0 348.038 3.263 20 30 EGEDRM N#Cc1c(F)cc(Nc2ccc(Cl)cc2S(=O)(=O)[O-])cc1F ZINC001203678250 1370214080 /nfs/dbraw/zinc/21/40/80/1370214080.db2.gz MFENURFSAIXGJA-UHFFFAOYSA-N -1 0 344.726 3.480 20 30 EGEDRM N#Cc1c(F)cc(Nc2cc(S(=O)(=O)[O-])ccc2Cl)cc1F ZINC001203681901 1370215899 /nfs/dbraw/zinc/21/58/99/1370215899.db2.gz VOYFMDUDQLDQCU-UHFFFAOYSA-N -1 0 344.726 3.480 20 30 EGEDRM C#CCOc1ccc([N-]S(=O)(=O)c2cc3c(s2)CCCC3)cc1 ZINC001187208487 1388072094 /nfs/dbraw/zinc/07/20/94/1388072094.db2.gz DNEWMBNHROEBJK-UHFFFAOYSA-N -1 0 347.461 3.440 20 30 EGEDRM CCN1CCc2ccc(-c3noc(CCC(=O)C4=CC=C[CH]4)n3)cc21 ZINC001204656578 1370538061 /nfs/dbraw/zinc/53/80/61/1370538061.db2.gz PFQMPJUSIVDJAH-UHFFFAOYSA-N -1 0 334.399 3.321 20 30 EGEDRM CC(C)(C)OC(=O)[C@@H](C#N)c1cccc(-c2ccsc2C(=O)[O-])n1 ZINC001205547281 1370787795 /nfs/dbraw/zinc/78/77/95/1370787795.db2.gz HOTAYXMCRKNFHL-NSHDSACASA-N -1 0 344.392 3.457 20 30 EGEDRM CC(C)(C)c1cnc([N-]S(=O)(=O)c2ccc(CC#N)cc2)s1 ZINC001116193328 1370855956 /nfs/dbraw/zinc/85/59/56/1370855956.db2.gz UQMGBCQFTRQKOJ-UHFFFAOYSA-N -1 0 335.454 3.307 20 30 EGEDRM Cc1cccc([N-]S(=O)(=O)c2c[nH]c(C(F)(F)F)c2)c1C#N ZINC001116849999 1370987204 /nfs/dbraw/zinc/98/72/04/1370987204.db2.gz FCCZNDPLBPBNCK-UHFFFAOYSA-N -1 0 329.303 3.014 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1N=NCc1nc2c(s1)C[C@H](C)CC2 ZINC001117742704 1371072560 /nfs/dbraw/zinc/07/25/60/1371072560.db2.gz TWLQMEXUJHRMCE-SNVBAGLBSA-N -1 0 345.424 3.421 20 30 EGEDRM CC(C)(C)OC(=O)[C@@H](C#N)c1nccnc1-c1cc(F)c([O-])cc1F ZINC001206775683 1371161802 /nfs/dbraw/zinc/16/18/02/1371161802.db2.gz GLISMKRBFVWJDW-JTQLQIEISA-N -1 0 347.321 3.076 20 30 EGEDRM COC(=O)c1ccc(Nc2cc(C(=O)[O-])cc(F)c2C)c(C#N)c1 ZINC001210009581 1372255335 /nfs/dbraw/zinc/25/53/35/1372255335.db2.gz BVUMSTSVYZLOQP-UHFFFAOYSA-N -1 0 328.299 3.234 20 30 EGEDRM C[C@H]1CC(=O)C=C(Nc2ccc3ccccc3c2S(=O)(=O)[O-])C1 ZINC001210772357 1372424101 /nfs/dbraw/zinc/42/41/01/1372424101.db2.gz BLWAGFWYHOUEED-LLVKDONJSA-N -1 0 331.393 3.381 20 30 EGEDRM CCCCCCCCS(=O)(=O)[N-]c1nnc(-c2ccco2)o1 ZINC001187993031 1388208097 /nfs/dbraw/zinc/20/80/97/1388208097.db2.gz FQOWZZCVUNTFQP-UHFFFAOYSA-N -1 0 327.406 3.432 20 30 EGEDRM COc1ccc(Nc2ccc(C3(C#N)CC3)cc2)c(S(=O)(=O)[O-])c1 ZINC001212258127 1372680293 /nfs/dbraw/zinc/68/02/93/1372680293.db2.gz QHSWVZPBFMNCOY-UHFFFAOYSA-N -1 0 344.392 3.241 20 30 EGEDRM N#Cc1c(F)ccc(Nc2ccc(NC(=O)CCC(=O)[O-])cc2)c1F ZINC001213191793 1372856768 /nfs/dbraw/zinc/85/67/68/1372856768.db2.gz JAZHMUCIWJKQFT-UHFFFAOYSA-N -1 0 345.305 3.383 20 30 EGEDRM N#Cc1ccc([N-]c2nonc2-c2cn3ccncc3n2)c(Cl)c1 ZINC001213991637 1372991539 /nfs/dbraw/zinc/99/15/39/1372991539.db2.gz LWKCUKFQIYHKLY-UHFFFAOYSA-N -1 0 337.730 3.048 20 30 EGEDRM N#Cc1ccc(F)c(-c2noc(-c3cc([O-])ccc3[N+](=O)[O-])n2)c1 ZINC001216678423 1373330139 /nfs/dbraw/zinc/33/01/39/1373330139.db2.gz CTKWTJKOQKFPPK-UHFFFAOYSA-N -1 0 326.243 3.028 20 30 EGEDRM N#Cc1ccc(C(F)(F)F)nc1Nc1cc(CC(=O)[O-])ccc1F ZINC001216678965 1373330900 /nfs/dbraw/zinc/33/09/00/1373330900.db2.gz FMUCBFAEMGRCRZ-UHFFFAOYSA-N -1 0 339.248 3.482 20 30 EGEDRM N#Cc1ccc(F)c(-c2noc(-c3cc(=O)c4ccccc4[n-]3)n2)c1 ZINC001217367431 1373432333 /nfs/dbraw/zinc/43/23/33/1373432333.db2.gz FUCQEYMCVDIXLE-UHFFFAOYSA-N -1 0 332.294 3.256 20 30 EGEDRM Cc1ccc2[n-]cc(-c3nc(-c4cccc(C#N)c4)no3)c(=O)c2c1 ZINC001217415390 1373439922 /nfs/dbraw/zinc/43/99/22/1373439922.db2.gz JBPSFYVGPGSFKU-UHFFFAOYSA-N -1 0 328.331 3.425 20 30 EGEDRM COc1cc(C#N)cc(-c2c(F)cc(C(=O)[O-])cc2F)c1OC(C)=O ZINC001222403058 1373838539 /nfs/dbraw/zinc/83/85/39/1373838539.db2.gz JUXDEPMJHMRBRZ-UHFFFAOYSA-N -1 0 347.273 3.136 20 30 EGEDRM C=CCCCCN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC001188303003 1388286210 /nfs/dbraw/zinc/28/62/10/1388286210.db2.gz XSZCFXNIALKUNN-UHFFFAOYSA-N -1 0 331.821 3.015 20 30 EGEDRM C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ccc(C(C)(C)CC)cc1 ZINC001225536999 1375120926 /nfs/dbraw/zinc/12/09/26/1375120926.db2.gz LKUBIQFWFNBWAO-MRXNPFEDSA-N -1 0 342.457 3.212 20 30 EGEDRM CC[C@H](C#Cc1ccccc1)Oc1ccc(-n2nn[n-]c2=S)cc1 ZINC001228439968 1375572798 /nfs/dbraw/zinc/57/27/98/1375572798.db2.gz CTPNNRBPYBGZFN-MRXNPFEDSA-N -1 0 336.420 3.160 20 30 EGEDRM C#C[C@H]1CCC[C@@H]1Oc1[n-]c(=O)nc2nc3cc(C)c(C)cc3nc21 ZINC001228685433 1375640331 /nfs/dbraw/zinc/64/03/31/1375640331.db2.gz GYYWPSNWHBETEV-WFASDCNBSA-N -1 0 334.379 3.076 20 30 EGEDRM CC#C[C@@H](CC)Oc1ccccc1S(=O)(=O)c1ccc(O)cc1 ZINC001229585275 1375859438 /nfs/dbraw/zinc/85/94/38/1375859438.db2.gz NVPMBGMTQIJGKF-OAHLLOKOSA-N -1 0 330.405 3.406 20 30 EGEDRM N#Cc1cccc(C#N)c1[N-]S(=O)(=O)CCc1ccc(Cl)cc1 ZINC001189101581 1388458738 /nfs/dbraw/zinc/45/87/38/1388458738.db2.gz YKEVAQZQBQOSLS-UHFFFAOYSA-N -1 0 345.811 3.068 20 30 EGEDRM N#Cc1cc(NC(=O)c2cn3ccc(C(F)(F)F)cc3n2)ccc1O ZINC001153294024 1380050160 /nfs/dbraw/zinc/05/01/60/1380050160.db2.gz VVJLMXRVJSQELO-UHFFFAOYSA-N -1 0 346.268 3.183 20 30 EGEDRM CNc1ccc(C#N)cc1NC(=O)c1c(O)cc2ccccc2c1[O-] ZINC001154028122 1380184719 /nfs/dbraw/zinc/18/47/19/1380184719.db2.gz RPFLTFOBZGWVEV-UHFFFAOYSA-N -1 0 333.347 3.417 20 30 EGEDRM ON=C(Nc1ccc2nc[nH]c2n1)c1ccc(OC(F)(F)F)cc1 ZINC001163764920 1383119728 /nfs/dbraw/zinc/11/97/28/1383119728.db2.gz FNNZMWGSUWMOHL-UHFFFAOYSA-N -1 0 337.261 3.104 20 30 EGEDRM CCOC(=O)C(F)(F)CNc1cc(/C=N/[O-])cc(C(F)(F)F)c1 ZINC001167852713 1383758991 /nfs/dbraw/zinc/75/89/91/1383758991.db2.gz XOHATQVRHCLZJV-CGOBSMCZSA-N -1 0 340.248 3.124 20 30 EGEDRM Cc1ccc(-n2ncc(C#N)c2Nc2ccc(CC(=O)[O-])cc2)cc1 ZINC001174949233 1385173550 /nfs/dbraw/zinc/17/35/50/1385173550.db2.gz GPJPDJCTBRDBQC-UHFFFAOYSA-N -1 0 332.363 3.423 20 30 EGEDRM N#Cc1ccc(Nc2ccc(C(=O)[O-])c(F)c2)c(Br)n1 ZINC001175154673 1385206678 /nfs/dbraw/zinc/20/66/78/1385206678.db2.gz PYDHQWQZFIFFRR-UHFFFAOYSA-N -1 0 336.120 3.297 20 30 EGEDRM CCOC(=O)c1c(C)oc(Nc2ccc(C(=O)[O-])c(F)c2)c1C#N ZINC001175160712 1385208682 /nfs/dbraw/zinc/20/86/82/1385208682.db2.gz ILMVKNJPCQJRNG-UHFFFAOYSA-N -1 0 332.287 3.217 20 30 EGEDRM CN1CCN(c2ccc(/C=C\C(=O)c3ccc(O)cc3)cc2F)CC1 ZINC001317891511 1385565173 /nfs/dbraw/zinc/56/51/73/1385565173.db2.gz YAOLGSBAOGNDNM-OQFOIZHKSA-N -1 0 340.398 3.179 20 30 EGEDRM N#Cc1cnn(-c2ccccc2)c1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176674955 1385654531 /nfs/dbraw/zinc/65/45/31/1385654531.db2.gz PSPZYOCSWFUNES-UHFFFAOYSA-N -1 0 349.306 3.094 20 30 EGEDRM Cc1ccc(C)c2c1OC/C(=C/c1cccc(OCC(=O)[O-])c1)C2=O ZINC001318461450 1385706542 /nfs/dbraw/zinc/70/65/42/1385706542.db2.gz PYZOHFQKNNJSKK-NVNXTCNLSA-N -1 0 338.359 3.426 20 30 EGEDRM C[S@](=O)c1ccc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC001319378982 1386091887 /nfs/dbraw/zinc/09/18/87/1386091887.db2.gz DGDUFDDMVMDGKO-QFIPXVFZSA-N -1 0 336.800 3.222 20 30 EGEDRM Cc1nc2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C#N)cc2o1 ZINC001320780102 1386716531 /nfs/dbraw/zinc/71/65/31/1386716531.db2.gz WJEYYCLLSANEBM-UHFFFAOYSA-N -1 0 347.783 3.462 20 30 EGEDRM C=CC[C@@H](NC(=O)C[C@@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC001321166617 1386827890 /nfs/dbraw/zinc/82/78/90/1386827890.db2.gz HOMATQABXFTWJS-ZWNOBZJWSA-N -1 0 329.318 3.345 20 30 EGEDRM COc1ccc(C(C)(C)C(=O)Nc2cc(C#N)c(F)cc2[O-])cc1 ZINC001180874881 1386889343 /nfs/dbraw/zinc/88/93/43/1386889343.db2.gz MXVOHZGBNLIWOK-UHFFFAOYSA-N -1 0 328.343 3.328 20 30 EGEDRM C=CC[C@H](NC(=O)c1cc2c(s1)-c1ccccc1CC2)C(=O)[O-] ZINC001321657043 1386950563 /nfs/dbraw/zinc/95/05/63/1386950563.db2.gz AWEDGEIHWANGCM-AWEZNQCLSA-N -1 0 327.405 3.273 20 30 EGEDRM C=CC[C@H](NC(=O)c1csc(-c2ccc(Cl)s2)n1)C(=O)[O-] ZINC001322599647 1387211555 /nfs/dbraw/zinc/21/15/55/1387211555.db2.gz CBBUWZMVIUKHAC-ZETCQYMHSA-N -1 0 342.829 3.284 20 30 EGEDRM C=C1CCN(c2nnc(CCc3cccc(Cl)c3O)n2C)CC1 ZINC001337871411 1389465275 /nfs/dbraw/zinc/46/52/75/1389465275.db2.gz UCGNFDKFAPARTI-UHFFFAOYSA-N -1 0 332.835 3.116 20 30 EGEDRM C=CC[C@@H](NC(=O)NC[C@H](C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001330816296 1389535637 /nfs/dbraw/zinc/53/56/37/1389535637.db2.gz CSMCJBFYDAYJSU-GXFFZTMASA-N -1 0 344.333 3.137 20 30 EGEDRM C=CCC[C@@H]1CCCN1c1nnc(-c2cccc([O-])c2[N+](=O)[O-])n1C ZINC001338301766 1389624775 /nfs/dbraw/zinc/62/47/75/1389624775.db2.gz OEQVIFISPDWUEB-GFCCVEGCSA-N -1 0 343.387 3.031 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(F)c2cccnc12 ZINC001342021815 1390562822 /nfs/dbraw/zinc/56/28/22/1390562822.db2.gz QMXFFQIWHCVFAY-CQSZACIVSA-N -1 0 327.359 3.003 20 30 EGEDRM C=C(C)Cn1c(-c2c[nH]oc2=O)nnc1N(C)[C@@H](C)c1ccco1 ZINC001342190546 1390583393 /nfs/dbraw/zinc/58/33/93/1390583393.db2.gz YLAOYGFZVYIPHY-NSHDSACASA-N -1 0 329.360 3.005 20 30 EGEDRM C=CCNC(=O)C(C#N)=C([O-])c1nc(-c2ccccc2)oc1C(C)C ZINC001342539237 1390624186 /nfs/dbraw/zinc/62/41/86/1390624186.db2.gz TXLJGHFXDFWZHF-AWEZNQCLSA-N -1 0 337.379 3.090 20 30 EGEDRM C=CC[C@@H](NC(=O)Nc1ccc(OCC(F)(F)F)c(C)c1)C(=O)[O-] ZINC001344466326 1390793057 /nfs/dbraw/zinc/79/30/57/1390793057.db2.gz ZGYRZPYBYCWLCY-LLVKDONJSA-N -1 0 346.305 3.087 20 30 EGEDRM C=CC[C@H](NC(=O)NCC1(c2cccs2)CCCCC1)C(=O)[O-] ZINC001344465348 1390793120 /nfs/dbraw/zinc/79/31/20/1390793120.db2.gz SRHUOIKUNWXVPD-ZDUSSCGKSA-N -1 0 336.457 3.279 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1csc(-c2ccco2)n1 ZINC001344540077 1390798307 /nfs/dbraw/zinc/79/83/07/1390798307.db2.gz IAQFRRRRVIHFMZ-LLVKDONJSA-N -1 0 331.397 3.032 20 30 EGEDRM Cc1nc2c(nccc2C([O-])=C(C#N)c2nc(C(C)C)cs2)[nH]1 ZINC001344846894 1390818806 /nfs/dbraw/zinc/81/88/06/1390818806.db2.gz FUGBSRLUXQWAFR-NSHDSACASA-N -1 0 325.397 3.336 20 30 EGEDRM Cc1nc(C(C)C)ncc1C([O-])=C(C#N)c1cnc2ccccc2n1 ZINC001345840005 1390888387 /nfs/dbraw/zinc/88/83/87/1390888387.db2.gz WQQOODPWACZTNO-CYBMUJFWSA-N -1 0 331.379 3.342 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cc(Cl)nc(CC)c1 ZINC001346198967 1390914762 /nfs/dbraw/zinc/91/47/62/1390914762.db2.gz JEPZRBPBGSUCLK-AWEZNQCLSA-N -1 0 335.835 3.316 20 30 EGEDRM C(=NNCc1ccc(-c2nn[n-]n2)cc1)c1cccc2ccccc12 ZINC000819718271 1428833371 /nfs/dbraw/zinc/83/33/71/1428833371.db2.gz CZKBSSTYHFZSER-UHFFFAOYSA-N -1 0 328.379 3.144 20 30 EGEDRM CC(=NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cnc(C)s1 ZINC000823958263 1424580036 /nfs/dbraw/zinc/58/00/36/1424580036.db2.gz HALORKBHGQEGMQ-UHFFFAOYSA-N -1 0 333.808 3.121 20 30 EGEDRM Cc1cc(F)ccc1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000826268556 1425460571 /nfs/dbraw/zinc/46/05/71/1425460571.db2.gz BYARPKONOPJFLM-QPJJXVBHSA-N -1 0 326.306 3.349 20 30 EGEDRM C=CC[C@@H](C)[C@@H](C)Nc1ccc(NC(=O)OCC)c(-c2nn[n-]n2)c1 ZINC000823888004 1426297605 /nfs/dbraw/zinc/29/76/05/1426297605.db2.gz CUNOCXSJWUUPTH-VXGBXAGGSA-N -1 0 344.419 3.448 20 30 EGEDRM C[C@@H](Nc1cc(-c2nn[n-]n2)c2ccccc2n1)c1cccc(C#N)c1 ZINC000820449765 1426315460 /nfs/dbraw/zinc/31/54/60/1426315460.db2.gz CHHKSFCXKKSALV-GFCCVEGCSA-N -1 0 341.378 3.460 20 30 EGEDRM COc1ccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)cc1F ZINC000826187127 1426589412 /nfs/dbraw/zinc/58/94/12/1426589412.db2.gz AZNDAPHLRFBTNB-ZZXKWVIFSA-N -1 0 342.305 3.050 20 30 EGEDRM C=CC[C@H](C)[C@@H](C)Nc1ccc(NC(=O)OCC)c(-c2nn[n-]n2)c1 ZINC000823888002 1426873247 /nfs/dbraw/zinc/87/32/47/1426873247.db2.gz CUNOCXSJWUUPTH-NWDGAFQWSA-N -1 0 344.419 3.448 20 30 EGEDRM CCOc1ccccc1C=CC(=O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000825653602 1427125482 /nfs/dbraw/zinc/12/54/82/1427125482.db2.gz GDDMPLHGBDDBRB-NTMALXAHSA-N -1 0 338.342 3.301 20 30 EGEDRM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1ccc(OC(F)F)cc1 ZINC000822924094 1427154146 /nfs/dbraw/zinc/15/41/46/1427154146.db2.gz XBCWVSQUWDLHCH-FNORWQNLSA-N -1 0 348.334 3.426 20 30 EGEDRM O=C1C(=Cc2ccc(F)c(-c3nn[n-]n3)c2)Cc2c1c(F)ccc2F ZINC000826475458 1427573507 /nfs/dbraw/zinc/57/35/07/1427573507.db2.gz GPGKGTFVRGMGHI-WEVVVXLNSA-N -1 0 342.280 3.106 20 30 EGEDRM CC1=CCC[C@@H](C)[C@@H]1CN=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000824852891 1427738604 /nfs/dbraw/zinc/73/86/04/1427738604.db2.gz SSNQZWXMKTZTDD-ZYHUDNBSSA-N -1 0 331.811 3.305 20 30 EGEDRM O=C1c2ccsc2CCC1=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000823505171 1427944013 /nfs/dbraw/zinc/94/40/13/1427944013.db2.gz YLXGSJXVZIVZNI-JXMROGBWSA-N -1 0 326.356 3.280 20 30 EGEDRM Cc1cc(C)c2c(c1)OCC(=Cc1ccccc1-c1nn[n-]n1)C2=O ZINC000826263789 1441498068 /nfs/dbraw/zinc/49/80/68/1441498068.db2.gz QRFYFCRWFCRZHV-ZROIWOOFSA-N -1 0 332.363 3.142 20 30 EGEDRM C=CCN(Cc1cccs1)C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000823920126 1441561594 /nfs/dbraw/zinc/56/15/94/1441561594.db2.gz XVHJZTMTQFXBFN-UHFFFAOYSA-N -1 0 339.424 3.065 20 30 EGEDRM N#CCCCOc1cccc(C=Cc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000737688694 1441735575 /nfs/dbraw/zinc/73/55/75/1441735575.db2.gz WZZRDIITAHZGPT-VURMDHGXSA-N -1 0 332.367 3.115 20 30 EGEDRM CC[C@H](CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1ccccc1 ZINC000736334195 1441744021 /nfs/dbraw/zinc/74/40/21/1441744021.db2.gz UNVJWADELSJGLT-CYBMUJFWSA-N -1 0 346.394 3.261 20 30 EGEDRM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2cscc2Cl)o1 ZINC000820202807 1443118454 /nfs/dbraw/zinc/11/84/54/1443118454.db2.gz LXEGBDJSKFDZRH-UHFFFAOYSA-N -1 0 337.796 3.139 20 30 EGEDRM CCO[C@@H]1CC(N=Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C12CCC2 ZINC000825576838 1443456954 /nfs/dbraw/zinc/45/69/54/1443456954.db2.gz OLCGGGZMIKKQPT-CQSZACIVSA-N -1 0 346.822 3.267 20 30 EGEDRM N#Cc1ccc(Cl)cc1NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822825630 1446360137 /nfs/dbraw/zinc/36/01/37/1446360137.db2.gz JFCBVYBFJCDGIO-UHFFFAOYSA-N -1 0 328.738 3.143 20 30 EGEDRM COc1c(C)cc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc1C ZINC000826167123 1446704798 /nfs/dbraw/zinc/70/47/98/1446704798.db2.gz QIBZLOURWRGYAZ-PLNGDYQASA-N -1 0 340.408 3.450 20 30 EGEDRM FC(F)(F)c1ccc(NN=Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826369108 1446805741 /nfs/dbraw/zinc/80/57/41/1446805741.db2.gz NBPHPFFQVVDEJK-UHFFFAOYSA-N -1 0 332.289 3.332 20 30 EGEDRM C=CCOc1ccccc1CNc1snc(Cl)c1-c1nn[n-]n1 ZINC000735437138 1446943602 /nfs/dbraw/zinc/94/36/02/1446943602.db2.gz XXMBRHQBURLYNC-UHFFFAOYSA-N -1 0 348.819 3.154 20 30 EGEDRM C=CC1(CC(=O)N[C@H](C(=O)[O-])[C@H]2CCC[C@H](OC)C2)CCCCC1 ZINC000907695512 939300938 /nfs/dbraw/zinc/30/09/38/939300938.db2.gz GGDYQOXXFGKNIS-ZOBUZTSGSA-N -1 0 337.460 3.288 20 30 EGEDRM C=CCC[C@H](NC(=O)NC1(C(=O)[O-])CCSCC1)c1ccccc1 ZINC000929045359 939801962 /nfs/dbraw/zinc/80/19/62/939801962.db2.gz QPENMCAQIGATJK-HNNXBMFYSA-N -1 0 348.468 3.344 20 30 EGEDRM N#Cc1ccsc1NC(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001601129498 970940615 /nfs/dbraw/zinc/94/06/15/970940615.db2.gz HNUHMWUQSBBDCQ-OLZOCXBDSA-N -1 0 327.365 3.054 20 30 EGEDRM CCCC[C@@H](ON=C(C)C)C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC001589640031 949677759 /nfs/dbraw/zinc/67/77/59/949677759.db2.gz VXHFJQWGKUBPSX-HUUCEWRRSA-N -1 0 326.437 3.204 20 30 EGEDRM CCCN(C(=O)/C=C\c1ccc(C(=O)[O-])o1)c1snc(C)c1C#N ZINC001589659184 949838351 /nfs/dbraw/zinc/83/83/51/949838351.db2.gz MEXGVCRXLDZDGD-ALCCZGGFSA-N -1 0 345.380 3.071 20 30 EGEDRM CC(C)(C)CC[C@@H](NC(=O)C[C@H](CC#N)c1ccccc1)C(=O)[O-] ZINC001602859320 971709282 /nfs/dbraw/zinc/70/92/82/971709282.db2.gz GHPJXXDZTPBLTO-JKSUJKDBSA-N -1 0 330.428 3.470 20 30 EGEDRM O=C([O-])CCCCNC(=O)Nc1ccccc1C#Cc1ccccc1 ZINC001595043523 951435978 /nfs/dbraw/zinc/43/59/78/951435978.db2.gz RFWNMECMCQQNBK-UHFFFAOYSA-N -1 0 336.391 3.463 20 30 EGEDRM O=C([O-])[C@@]1(C(=O)N(O)Cc2cccc3ccccc32)CC=CCC1 ZINC001594844782 954128218 /nfs/dbraw/zinc/12/82/18/954128218.db2.gz SJXANFVDYGCIOC-IBGZPJMESA-N -1 0 325.364 3.369 20 30 EGEDRM CC(C)[C@H](NC(=O)Nc1cccc(C#Cc2ccccc2)c1)C(=O)[O-] ZINC001603095247 972169964 /nfs/dbraw/zinc/16/99/64/972169964.db2.gz UOELNYRAQDYFSN-SFHVURJKSA-N -1 0 336.391 3.317 20 30 EGEDRM N#Cc1ccc(Cl)c(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])c1 ZINC001594619518 956267792 /nfs/dbraw/zinc/26/77/92/956267792.db2.gz DUPWFHYPTGBVNR-GLQYFDAESA-N -1 0 332.787 3.070 20 30 EGEDRM C=CCn1c(=O)c2ccccc2nc1SCc1occc1C(=O)[O-] ZINC000013414722 957056937 /nfs/dbraw/zinc/05/69/37/957056937.db2.gz WPQVJIZCYJMDPI-UHFFFAOYSA-N -1 0 342.376 3.166 20 30 EGEDRM Cc1cc(C(=O)[O-])cc(C(=O)[C@H](C#N)c2cnc3ccccc3n2)c1 ZINC001594281551 957750345 /nfs/dbraw/zinc/75/03/45/957750345.db2.gz UPYGDLCRNXABTK-CQSZACIVSA-N -1 0 331.331 3.127 20 30 EGEDRM C=CCCC[C@@H](C)NC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001588458558 958464263 /nfs/dbraw/zinc/46/42/63/958464263.db2.gz RJYHEURIPRHPAR-HYVNUMGLSA-N -1 0 330.428 3.241 20 30 EGEDRM C=CCN(Cc1cccc(C#N)c1)C(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001588464488 958493123 /nfs/dbraw/zinc/49/31/23/958493123.db2.gz UYEVDIWCLZVZCN-VOTSOKGWSA-N -1 0 336.347 3.077 20 30 EGEDRM C=CCc1ccc(OC(=O)c2coc(/C=C/C(=O)[O-])c2)c(OC)c1 ZINC001573336644 958520247 /nfs/dbraw/zinc/52/02/47/958520247.db2.gz FKKNTGJQZBMSGN-SOFGYWHQSA-N -1 0 328.320 3.334 20 30 EGEDRM CC(C)C[C@@H](NC(=O)c1ccc(C#Cc2ccccc2)cc1)C(=O)[O-] ZINC001573529685 959159739 /nfs/dbraw/zinc/15/97/39/959159739.db2.gz WDLOEFMLCNWKIB-LJQANCHMSA-N -1 0 335.403 3.316 20 30 EGEDRM CSc1ccc(CNC(=O)Nc2cccc(C(=O)[O-])c2)cc1C#N ZINC001594194709 959188097 /nfs/dbraw/zinc/18/80/97/959188097.db2.gz JKZZQWXUXXXWQZ-UHFFFAOYSA-N -1 0 341.392 3.300 20 30 EGEDRM Cc1c(C#N)nn(-c2ccccc2)c1NC(=O)c1cccc(C(=O)[O-])c1 ZINC001594253046 959629283 /nfs/dbraw/zinc/62/92/83/959629283.db2.gz MGQKZDSXGZMIOL-UHFFFAOYSA-N -1 0 346.346 3.003 20 30 EGEDRM Cc1c2cc(C#N)ccc2sc1C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC001594255749 959644819 /nfs/dbraw/zinc/64/48/19/959644819.db2.gz KYDLPKYWTVSJJJ-GWCFXTLKSA-N -1 0 342.420 3.264 20 30 EGEDRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl ZINC001588636069 959660466 /nfs/dbraw/zinc/66/04/66/959660466.db2.gz UHWACONVBQCVIA-GHMZBOCLSA-N -1 0 343.210 3.421 20 30 EGEDRM Cc1c2cc(C#N)ccc2sc1C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001594261053 959695727 /nfs/dbraw/zinc/69/57/27/959695727.db2.gz YHFPWMDEUBOUER-UHFFFAOYSA-N -1 0 337.360 3.427 20 30 EGEDRM CCCCN(Cc1ccccc1Cl)C(=O)[C@](C)(C#N)CC(=O)[O-] ZINC001573849150 961120959 /nfs/dbraw/zinc/12/09/59/961120959.db2.gz ODHOMWHVTCYFMI-KRWDZBQOSA-N -1 0 336.819 3.473 20 30 EGEDRM CC(C)[C@H](C(=O)[O-])C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC001588809123 961506456 /nfs/dbraw/zinc/50/64/56/961506456.db2.gz BAPQLPDTGZYXEL-INIZCTEOSA-N -1 0 339.351 3.041 20 30 EGEDRM N#Cc1c(NC(=O)c2coc(/C=C\C(=O)[O-])c2)sc2c1CCC2 ZINC001574479564 961650190 /nfs/dbraw/zinc/65/01/90/961650190.db2.gz JSZUWWHEDDRDKH-PLNGDYQASA-N -1 0 328.349 3.052 20 30 EGEDRM N#CC[C@H](CC(=O)N[C@@H](C(=O)[O-])c1ccc(F)cc1)c1ccccc1 ZINC001574481085 961669854 /nfs/dbraw/zinc/66/98/54/961669854.db2.gz UQADVYGIFSDLMG-CRAIPNDOSA-N -1 0 340.354 3.155 20 30 EGEDRM N#Cc1cc(NC(=O)N2CCCC[C@@H]2CCC(=O)[O-])c(F)cc1F ZINC001574485899 961680134 /nfs/dbraw/zinc/68/01/34/961680134.db2.gz MTHVSWXFJDPPGK-LLVKDONJSA-N -1 0 337.326 3.088 20 30 EGEDRM N#Cc1cccc(C2(C(=O)N[C@@H]3C[C@@H](C(=O)[O-])c4ccccc43)CC2)c1 ZINC001574490038 961708086 /nfs/dbraw/zinc/70/80/86/961708086.db2.gz SCQAQRCMHVIHDC-QZTJIDSGSA-N -1 0 346.386 3.019 20 30 EGEDRM C=CCO[C@@H]1CCN(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)C1 ZINC001346231411 962327008 /nfs/dbraw/zinc/32/70/08/962327008.db2.gz AZNJISKIRHTSMO-MRXNPFEDSA-N -1 0 344.436 3.285 20 30 EGEDRM C#C[C@H](NC(=O)Cc1ccccc1C(=O)[O-])c1ccc(Cl)cc1F ZINC001573318307 962745715 /nfs/dbraw/zinc/74/57/15/962745715.db2.gz NIXNDWGXGZASND-INIZCTEOSA-N -1 0 345.757 3.211 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)c1csc(-c2ccc(F)cc2)n1)C(=O)[O-] ZINC001573324406 962785788 /nfs/dbraw/zinc/78/57/88/962785788.db2.gz SFWYGNSCMNXGCU-GFCCVEGCSA-N -1 0 334.372 3.098 20 30 EGEDRM C=C(CC)CNC(=O)Nc1cc(Br)c(F)c(C(=O)[O-])c1 ZINC001573325025 962792949 /nfs/dbraw/zinc/79/29/49/962792949.db2.gz BOVKZJLPOCKDNI-UHFFFAOYSA-N -1 0 345.168 3.374 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N[C@H](C)COc1ccccc1C(F)(F)F ZINC001573332996 962847565 /nfs/dbraw/zinc/84/75/65/962847565.db2.gz VFDZECBNRXTAIQ-LLVKDONJSA-N -1 0 345.317 3.010 20 30 EGEDRM C=C[C@H](C)NC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC001573348348 962957817 /nfs/dbraw/zinc/95/78/17/962957817.db2.gz VKMOGTUQEDJSAD-AWEZNQCLSA-N -1 0 334.375 3.481 20 30 EGEDRM C=CCC(F)(F)C(=O)Nc1c2ccc(C)nc2sc1C(=O)[O-] ZINC001573350707 962970865 /nfs/dbraw/zinc/97/08/65/962970865.db2.gz LLJVRKOUDVFOAI-UHFFFAOYSA-N -1 0 326.324 3.453 20 30 EGEDRM C=CC[C@@H]1CCCC[C@H]1NC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001573353518 963003530 /nfs/dbraw/zinc/00/35/30/963003530.db2.gz XSKALMDOICYJQN-YKTARERQSA-N -1 0 334.460 3.408 20 30 EGEDRM C=CCCO[C@@H](C)C(=O)Oc1c(CC=C)cc(C(=O)[O-])cc1OC ZINC001573360007 963031014 /nfs/dbraw/zinc/03/10/14/963031014.db2.gz CKZYNYZZTMZXQL-LBPRGKRZSA-N -1 0 334.368 3.009 20 30 EGEDRM C=CCCCN(CC)S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1C ZINC001573364647 963050098 /nfs/dbraw/zinc/05/00/98/963050098.db2.gz ABHMDSYQWSEZSJ-UHFFFAOYSA-N -1 0 345.848 3.323 20 30 EGEDRM C=CCN(Cc1cccc(C#N)c1)C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001573368064 963073524 /nfs/dbraw/zinc/07/35/24/963073524.db2.gz HIIGJUOWOPWADH-VQHVLOKHSA-N -1 0 336.347 3.077 20 30 EGEDRM N#CCc1cccc2c1CCN(C(=O)C1(C(=O)[O-])CCCCCC1)C2 ZINC000902245499 969530617 /nfs/dbraw/zinc/53/06/17/969530617.db2.gz FPGNFJKNEQYQTK-UHFFFAOYSA-N -1 0 340.423 3.063 20 30 EGEDRM CN(C(=O)CSc1ccc(C(=O)[O-])cc1)C1(C#N)CCCCC1 ZINC000320554397 970677999 /nfs/dbraw/zinc/67/79/99/970677999.db2.gz DPHYMYKNUGENAG-UHFFFAOYSA-N -1 0 332.425 3.162 20 30 EGEDRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC001605857278 972606341 /nfs/dbraw/zinc/60/63/41/972606341.db2.gz HMYVFYFKUOAIQH-JKSUJKDBSA-N -1 0 325.389 3.197 20 30 EGEDRM Cc1cc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc(C)c1C#N ZINC001605122496 972784217 /nfs/dbraw/zinc/78/42/17/972784217.db2.gz KVHUUWWLBBQUFK-AEFFLSMTSA-N -1 0 334.375 3.218 20 30 EGEDRM N#C[C@H](C(=O)CCCCC(=O)[O-])C(=O)Nc1cccc2ccccc21 ZINC001605575880 973841799 /nfs/dbraw/zinc/84/17/99/973841799.db2.gz GFPRHJKFSYQJPU-OAHLLOKOSA-N -1 0 338.363 3.132 20 30 EGEDRM N#Cc1cccc(Oc2ccnc(NCc3ccccc3C(=O)[O-])n2)c1 ZINC001605619830 973939967 /nfs/dbraw/zinc/93/99/67/973939967.db2.gz JNXKTAJQGRZEPY-UHFFFAOYSA-N -1 0 346.346 3.451 20 30 EGEDRM N#Cc1ccsc1NC(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001605622890 973944854 /nfs/dbraw/zinc/94/48/54/973944854.db2.gz HNUHMWUQSBBDCQ-STQMWFEESA-N -1 0 327.365 3.054 20 30 EGEDRM N#Cc1ccc(NC[C@@H](CC(=O)[O-])C2CC2)c(F)c1Br ZINC000690425198 976292777 /nfs/dbraw/zinc/29/27/77/976292777.db2.gz SEYCRYLQUXWWLZ-SNVBAGLBSA-N -1 0 341.180 3.373 20 30 EGEDRM CC(C)c1nc(NC(=O)c2cc(C#N)ccc2F)sc1C(=O)[O-] ZINC001592028508 976728651 /nfs/dbraw/zinc/72/86/51/976728651.db2.gz LDRAOQFYBYCIJX-UHFFFAOYSA-N -1 0 333.344 3.228 20 30 EGEDRM C[C@H](CC#Cc1cccnc1)OC(=O)[C@]1(C(=O)[O-])C[C@H]1c1ccccc1 ZINC001592211148 977258493 /nfs/dbraw/zinc/25/84/93/977258493.db2.gz JCTYJOSYNUZEOE-FYINFDKHSA-N -1 0 349.386 3.013 20 30 EGEDRM C[C@H](CC#N)NC(=O)Nc1ccc(Cl)cc1SCCC(=O)[O-] ZINC001592221489 977399507 /nfs/dbraw/zinc/39/95/07/977399507.db2.gz IEZRQVTWJGXHLX-SECBINFHSA-N -1 0 341.820 3.330 20 30 EGEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001592225582 977410486 /nfs/dbraw/zinc/41/04/86/977410486.db2.gz CFJKJCNSXSBNDX-UPJWGTAASA-N -1 0 347.440 3.456 20 30 EGEDRM C[C@@H](CC(=O)[O-])CC(=O)N(CCC#N)C12CC3CC(CC(C3)C1)C2 ZINC001592369606 977878144 /nfs/dbraw/zinc/87/81/44/977878144.db2.gz BATKBRIIFRZVRX-PGBRGIIUSA-N -1 0 332.444 3.198 20 30 EGEDRM CC(CCC(=O)[O-])=NNC(=S)Nc1ccccc1C(F)(F)F ZINC001592470774 978224751 /nfs/dbraw/zinc/22/47/51/978224751.db2.gz NZKPCMWCDRGNFI-UHFFFAOYSA-N -1 0 333.335 3.233 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1NN=Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000756898898 978700425 /nfs/dbraw/zinc/70/04/25/978700425.db2.gz GZTIUAHXGMDNHX-UHFFFAOYSA-N -1 0 349.730 3.401 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1NN=Cc1c(C)nc2scc(C)n12 ZINC000756899102 978700511 /nfs/dbraw/zinc/70/05/11/978700511.db2.gz QBMWHCYYOCGBFO-UHFFFAOYSA-N -1 0 344.396 3.165 20 30 EGEDRM CCCn1nc(C)c(C=NNc2ccc(C(=O)[O-])cc2OC)c1C ZINC000756901222 978701001 /nfs/dbraw/zinc/70/10/01/978701001.db2.gz LRFABXRGPUVRBT-UHFFFAOYSA-N -1 0 330.388 3.063 20 30 EGEDRM O=C([O-])c1ccc(N=NCc2ccc(F)cc2Br)nc1 ZINC000763369684 978722119 /nfs/dbraw/zinc/72/21/19/978722119.db2.gz WBCDVCSCHUKTNQ-UHFFFAOYSA-N -1 0 338.136 3.127 20 30 EGEDRM O=C([O-])c1ccc(N=NCc2ccc(OCC(F)(F)F)cc2)nc1 ZINC000763371023 978722754 /nfs/dbraw/zinc/72/27/54/978722754.db2.gz XZJPECVIXKCSKN-UHFFFAOYSA-N -1 0 339.273 3.167 20 30 EGEDRM O=C([O-])c1ccc(NN=Cc2cc(C(F)(F)F)ccc2F)nc1 ZINC000763372008 978722761 /nfs/dbraw/zinc/72/27/61/978722761.db2.gz OZKJLGZANUQFJO-UHFFFAOYSA-N -1 0 327.237 3.384 20 30 EGEDRM C#CCOc1cccc(Cl)c1C=NNc1ccccc1C(=O)[O-] ZINC000777428560 978781372 /nfs/dbraw/zinc/78/13/72/978781372.db2.gz DQPOBJFRNMKZFI-UHFFFAOYSA-N -1 0 328.755 3.496 20 30 EGEDRM CC(N=Nc1nnc(-c2ccccn2)s1)c1cc(C(=O)[O-])cs1 ZINC000814912263 978897971 /nfs/dbraw/zinc/89/79/71/978897971.db2.gz OBUNQZSJPAQHIJ-UHFFFAOYSA-N -1 0 345.409 3.196 20 30 EGEDRM C[C@](COC(=O)c1ccc(C2(C#N)CC2)cc1)(C(=O)[O-])c1ccccc1 ZINC001592771342 979386138 /nfs/dbraw/zinc/38/61/38/979386138.db2.gz CTKPYMVMECDWEX-HXUWFJFHSA-N -1 0 349.386 3.441 20 30 EGEDRM CC(C[C@H](C)NC(=O)OC(C)(C)C)N=Nc1ccc(CC(=O)[O-])cc1 ZINC000848414680 979467061 /nfs/dbraw/zinc/46/70/61/979467061.db2.gz QEWUFGHXSOSOHP-LBPRGKRZSA-N -1 0 349.431 3.405 20 30 EGEDRM C=C(C)C[C@H](NC(=O)/C=C\c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000864188152 979836290 /nfs/dbraw/zinc/83/62/90/979836290.db2.gz QRIFAUWWRBKTBW-WSROAFLRSA-N -1 0 327.302 3.254 20 30 EGEDRM C#CCOc1cc(F)ccc1NC(=O)CC1(CC(=O)[O-])CCCC1 ZINC000872939227 980160950 /nfs/dbraw/zinc/16/09/50/980160950.db2.gz KABXNQLLKILEJO-UHFFFAOYSA-N -1 0 333.359 3.201 20 30 EGEDRM CC[C@@](NC(=O)c1ccc(Cl)c(C#N)c1)(C(=O)[O-])c1ccccc1 ZINC001595269194 980283641 /nfs/dbraw/zinc/28/36/41/980283641.db2.gz RNHCKKBRQXCAOE-SFHVURJKSA-N -1 0 342.782 3.332 20 30 EGEDRM C#CC[C@@H](NC(=O)C1(c2ccc(Cl)c(Cl)c2)CCC1)C(=O)[O-] ZINC000910054664 981746489 /nfs/dbraw/zinc/74/64/89/981746489.db2.gz VZAAKZFAVIGFPN-CYBMUJFWSA-N -1 0 340.206 3.008 20 30 EGEDRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)Cc1c(C)cc(C#N)cc1C ZINC001594781569 981787409 /nfs/dbraw/zinc/78/74/09/981787409.db2.gz KYOASPZGEACQPO-HXUWFJFHSA-N -1 0 342.439 3.210 20 30 EGEDRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC001594821825 981973153 /nfs/dbraw/zinc/97/31/53/981973153.db2.gz LPIJJKVKSVATQE-NRFANRHFSA-N -1 0 335.403 3.460 20 30 EGEDRM CCCC[C@@H](ON=C(C)C)C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001595651424 982021498 /nfs/dbraw/zinc/02/14/98/982021498.db2.gz GCXMAYUGMULWNB-IIDMSEBBSA-N -1 0 338.448 3.061 20 30 EGEDRM CCCCCCCCNS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001595704334 982273468 /nfs/dbraw/zinc/27/34/68/982273468.db2.gz FZIFVNFRKRGQHD-UHFFFAOYSA-N -1 0 331.409 3.163 20 30 EGEDRM C=CCO[C@H]1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)C1 ZINC001118253062 982948645 /nfs/dbraw/zinc/94/86/45/982948645.db2.gz GONNFYSMMILZHG-IINYFYTJSA-N -1 0 330.211 3.396 20 30 EGEDRM C#C[C@H](NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F)c1ccccc1 ZINC001588374074 983340965 /nfs/dbraw/zinc/34/09/65/983340965.db2.gz ODRXSPXCLNLAQX-AWEZNQCLSA-N -1 0 330.290 3.159 20 30 EGEDRM C#C[C@H](NC(=O)Nc1ccc(C(=O)[O-])cc1OCC)c1ccccc1 ZINC001588374318 983343504 /nfs/dbraw/zinc/34/35/04/983343504.db2.gz UHQFHVKMSCSBHS-HNNXBMFYSA-N -1 0 338.363 3.280 20 30 EGEDRM C#C[C@H](NC(=O)Nc1cc(COC)cc(C(=O)[O-])c1)c1ccccc1 ZINC001588374510 983344572 /nfs/dbraw/zinc/34/45/72/983344572.db2.gz YKHNVWAFNPLXNQ-KRWDZBQOSA-N -1 0 338.363 3.027 20 30 EGEDRM C#C[C@@H](NC(=O)c1ccc(C(=O)[O-])c(F)c1)c1ccc(Cl)cc1 ZINC001588377601 983358038 /nfs/dbraw/zinc/35/80/38/983358038.db2.gz NKZQXZAPYNYHTI-OAHLLOKOSA-N -1 0 331.730 3.282 20 30 EGEDRM C#C[C@@H](N[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1)C1CCOCC1 ZINC001588378157 983361615 /nfs/dbraw/zinc/36/16/15/983361615.db2.gz VSFXHAJWLNLXNB-HUUCEWRRSA-N -1 0 342.222 3.137 20 30 EGEDRM C#C[C@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(Cl)cc1F ZINC001588378500 983363075 /nfs/dbraw/zinc/36/30/75/983363075.db2.gz YZZNUKFZSNCREC-IRXDYDNUSA-N -1 0 342.757 3.441 20 30 EGEDRM C#CCC(C)(C)C(=O)NC[C@@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC001588384023 983386495 /nfs/dbraw/zinc/38/64/95/983386495.db2.gz SMGGCMALRORMMV-QGZVFWFLSA-N -1 0 337.419 3.249 20 30 EGEDRM C#CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001588396537 983408979 /nfs/dbraw/zinc/40/89/79/983408979.db2.gz ZMNFAPALQQVIMK-SFHVURJKSA-N -1 0 336.391 3.070 20 30 EGEDRM C#CC[C@H](NC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1)c1ccccc1 ZINC001588407559 983428588 /nfs/dbraw/zinc/42/85/88/983428588.db2.gz KDPBPKGPCCVFJY-MOPGFXCFSA-N -1 0 348.402 3.145 20 30 EGEDRM C#CC[C@@H](NC(=O)c1ccccc1SCc1cccs1)C(=O)[O-] ZINC001588417161 983438794 /nfs/dbraw/zinc/43/87/94/983438794.db2.gz ZGUNUKUCJLOVKO-CQSZACIVSA-N -1 0 345.445 3.247 20 30 EGEDRM C#CC[C@H](Nc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-])c1ccccc1 ZINC001588428180 983460704 /nfs/dbraw/zinc/46/07/04/983460704.db2.gz FERRANDQNHOWOB-AWEZNQCLSA-N -1 0 325.324 3.173 20 30 EGEDRM C#CCCOc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2OC)cc1 ZINC001588458572 983483210 /nfs/dbraw/zinc/48/32/10/983483210.db2.gz OSXJPUWYIPAEIN-UHFFFAOYSA-N -1 0 339.347 3.048 20 30 EGEDRM C#CCN(Cc1ccc(F)cc1)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001588469963 983503794 /nfs/dbraw/zinc/50/37/94/983503794.db2.gz WNXZSMMRALCRHC-UHFFFAOYSA-N -1 0 342.326 3.068 20 30 EGEDRM C#CCOc1ccc(CNC(=O)Nc2cc(C)cc(C(=O)[O-])c2)cc1 ZINC001588497469 983539112 /nfs/dbraw/zinc/53/91/12/983539112.db2.gz IJOXANIMYITJAE-UHFFFAOYSA-N -1 0 338.363 3.027 20 30 EGEDRM C#CCOc1cc(F)ccc1NC(=O)Nc1ccc(C(=O)[O-])cc1C ZINC001588498813 983544220 /nfs/dbraw/zinc/54/42/20/983544220.db2.gz HQYTVULHTCXTTO-UHFFFAOYSA-N -1 0 342.326 3.488 20 30 EGEDRM C#Cc1ccc(C(=O)Oc2cccc3c(CC(=O)[O-])cccc23)nc1 ZINC001588516692 983561949 /nfs/dbraw/zinc/56/19/49/983561949.db2.gz WCVUTFLSFLBXIM-UHFFFAOYSA-N -1 0 331.327 3.062 20 30 EGEDRM C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC001588534984 983587515 /nfs/dbraw/zinc/58/75/15/983587515.db2.gz DQSSWGACXASIFI-CZUORRHYSA-N -1 0 346.427 3.152 20 30 EGEDRM C=C(C)[C@H](NC(=O)Nc1ccc(C(=O)[O-])nc1)c1ccc(F)c(F)c1 ZINC001588536479 983593991 /nfs/dbraw/zinc/59/39/91/983593991.db2.gz XQBHRWNSFUWOPV-HNNXBMFYSA-N -1 0 347.321 3.497 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)CC(C)(C)CC(=O)c1ccccc1)C(=O)[O-] ZINC001588540546 983604470 /nfs/dbraw/zinc/60/44/70/983604470.db2.gz IVKMOAWYNAVXFK-OAHLLOKOSA-N -1 0 331.412 3.211 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N=[S@@](=O)(CC)c1cccc(Cl)c1 ZINC001588618830 983713394 /nfs/dbraw/zinc/71/33/94/983713394.db2.gz BAQNBZQONWJUKS-OAQYLSRUSA-N -1 0 329.805 3.134 20 30 EGEDRM C=C[C@H](C(=O)N[C@@H](C(=O)[O-])c1ccc(F)c(C)c1)c1ccccc1 ZINC001588663043 983793208 /nfs/dbraw/zinc/79/32/08/983793208.db2.gz BRECZVMULPIGBX-DOTOQJQBSA-N -1 0 327.355 3.346 20 30 EGEDRM C=C[C@@H](CC(=O)NCc1nc2cc(C(=O)[O-])ccc2[nH]1)c1ccccc1 ZINC001588690559 983874397 /nfs/dbraw/zinc/87/43/97/983874397.db2.gz BLQWDNAHRIEMBK-ZDUSSCGKSA-N -1 0 349.390 3.237 20 30 EGEDRM C=C[C@H](CC(=O)OCC(=O)c1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC001588690630 983875196 /nfs/dbraw/zinc/87/51/96/983875196.db2.gz GAPPXPVDTGKZES-CQSZACIVSA-N -1 0 338.359 3.471 20 30 EGEDRM C=CC[C@H](Sc1nnc(NCCc2cccs2)s1)C(=O)[O-] ZINC001588761772 984114197 /nfs/dbraw/zinc/11/41/97/984114197.db2.gz BHIAVHSQRNQEDC-JTQLQIEISA-N -1 0 341.483 3.376 20 30 EGEDRM C=CC[C@H]1CCCC[C@@H]1NC(=O)NC(C)(C)c1nocc1C(=O)[O-] ZINC001588771340 984139216 /nfs/dbraw/zinc/13/92/16/984139216.db2.gz SDPSDUUAOXOSIJ-AAEUAGOBSA-N -1 0 335.404 3.042 20 30 EGEDRM C=CCCC(C)(C)CNC(=O)NCCc1ccc(C(=O)[O-])cc1OC ZINC001588776691 984152315 /nfs/dbraw/zinc/15/23/15/984152315.db2.gz BOKUZIPKCRLELP-UHFFFAOYSA-N -1 0 348.443 3.228 20 30 EGEDRM C=CCCC[C@@H](NC(=O)/C(C)=C\c1ccc(OC)c(F)c1)C(=O)[O-] ZINC001588785499 984180817 /nfs/dbraw/zinc/18/08/17/984180817.db2.gz HMLJPMFVTXTXOE-KUGGDMIFSA-N -1 0 335.375 3.163 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1ccc(-c2ccc(F)cc2)n1C)C(=O)[O-] ZINC001588792325 984207976 /nfs/dbraw/zinc/20/79/76/984207976.db2.gz DBXXNVUPSKWUIS-HNNXBMFYSA-N -1 0 344.386 3.371 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1c(C)nc2ccccc2c1C)C(=O)[O-] ZINC001588794606 984228592 /nfs/dbraw/zinc/22/85/92/984228592.db2.gz ZRUKWQKMKOZXNW-MRXNPFEDSA-N -1 0 326.396 3.391 20 30 EGEDRM C=CCN(C(=O)Nc1cc(Cl)ccc1C(=O)[O-])[C@@H](C)COC ZINC001588820515 984284706 /nfs/dbraw/zinc/28/47/06/984284706.db2.gz HWXMNUOBSLJPJO-JTQLQIEISA-N -1 0 326.780 3.093 20 30 EGEDRM C=CCN(C(=O)Nc1ccc(SC)c(C(=O)[O-])c1)[C@@H](C)COC ZINC001588820890 984287843 /nfs/dbraw/zinc/28/78/43/984287843.db2.gz YBLIKVUQNCOQFM-NSHDSACASA-N -1 0 338.429 3.162 20 30 EGEDRM C=CCN(CC=C)C(=O)Nc1cccc(C(=O)[O-])c1Br ZINC001588825470 984300823 /nfs/dbraw/zinc/30/08/23/984300823.db2.gz QVRNYDVXHLDNCO-UHFFFAOYSA-N -1 0 339.189 3.353 20 30 EGEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC001588832552 984323475 /nfs/dbraw/zinc/32/34/75/984323475.db2.gz JDSFTPMIXJSVQH-DOTOQJQBSA-N -1 0 346.427 3.036 20 30 EGEDRM C=CCO[C@H]1CCN(C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)C1 ZINC001588849859 984375908 /nfs/dbraw/zinc/37/59/08/984375908.db2.gz LVDDNWALHUDEKT-ZDUSSCGKSA-N -1 0 346.408 3.408 20 30 EGEDRM C=CCOc1ccc(CNC(=O)c2cc(C)cc(C(=O)[O-])c2)cc1 ZINC001588873838 984446544 /nfs/dbraw/zinc/44/65/44/984446544.db2.gz NBLGFRMUFIRTTC-UHFFFAOYSA-N -1 0 325.364 3.188 20 30 EGEDRM C=CCOc1ccc(CC(=O)Nc2cc(OC)ccc2C(=O)[O-])cc1 ZINC001588874071 984447625 /nfs/dbraw/zinc/44/76/25/984447625.db2.gz UTSLLQSJWTXUFR-UHFFFAOYSA-N -1 0 341.363 3.139 20 30 EGEDRM C=CCOc1ccccc1CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC001588877448 984453452 /nfs/dbraw/zinc/45/34/52/984453452.db2.gz PZTPAXIJYCGSCT-UHFFFAOYSA-N -1 0 342.351 3.399 20 30 EGEDRM C=CC[S@](=O)(=NC(=O)c1cccc(CC(=O)[O-])c1)c1ccccc1 ZINC001588878916 984456130 /nfs/dbraw/zinc/45/61/30/984456130.db2.gz NXGNYCYREFUNPV-XMMPIXPASA-N -1 0 343.404 3.167 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@@H](C)Cc1ccco1 ZINC001588881825 984461071 /nfs/dbraw/zinc/46/10/71/984461071.db2.gz FPNITRVCYBOQDT-LBPRGKRZSA-N -1 0 344.363 3.499 20 30 EGEDRM C=CCc1cc(C(=O)OCc2occc2C(=O)[O-])cc(OC)c1OC ZINC001588885303 984467040 /nfs/dbraw/zinc/46/70/40/984467040.db2.gz OFEDMFPVYDLTAZ-UHFFFAOYSA-N -1 0 346.335 3.081 20 30 EGEDRM C=CCc1cc(OC)ccc1OC(=O)c1cccc(OCC(=O)[O-])c1 ZINC001588885523 984468300 /nfs/dbraw/zinc/46/83/00/984468300.db2.gz OTDBPUWZVLKOQT-UHFFFAOYSA-N -1 0 342.347 3.106 20 30 EGEDRM C=CCn1cnnc1S[C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001588908936 984540427 /nfs/dbraw/zinc/54/04/27/984540427.db2.gz ATNOIKWIYAUMAI-LLVKDONJSA-N -1 0 343.330 3.401 20 30 EGEDRM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1ccc(C#N)c(Cl)c1 ZINC001599888860 984670646 /nfs/dbraw/zinc/67/06/46/984670646.db2.gz YHBOHTOVZQHPGO-GFCCVEGCSA-N -1 0 342.782 3.327 20 30 EGEDRM CC(=NNc1cc(C(=O)[O-])ccc1Br)c1nccs1 ZINC001589017072 985000613 /nfs/dbraw/zinc/00/06/13/985000613.db2.gz WCVLTLWMUXQMOW-UHFFFAOYSA-N -1 0 340.202 3.440 20 30 EGEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001589331862 986193704 /nfs/dbraw/zinc/19/37/04/986193704.db2.gz QTZYKOSGXACNCG-XQQFMLRXSA-N -1 0 347.440 3.313 20 30 EGEDRM CCOc1cc(C(=O)[O-])ccc1NC(=O)[C@@]1(C#N)CC2CCC1CC2 ZINC001597009328 986342665 /nfs/dbraw/zinc/34/26/65/986342665.db2.gz MOUVRKMOXDVGGM-JWIMFUQQSA-N -1 0 342.395 3.442 20 30 EGEDRM CCOc1ccc(NC(=S)NN=C2CCC(CC(=O)[O-])CC2)cc1 ZINC001597122976 986821704 /nfs/dbraw/zinc/82/17/04/986821704.db2.gz JCCMCOYMVJNSLK-UHFFFAOYSA-N -1 0 349.456 3.393 20 30 EGEDRM CCOc1ccc([N+](=O)[O-])cc1/C=C/C(=O)c1cc(C(=O)[O-])co1 ZINC001597142887 986893408 /nfs/dbraw/zinc/89/34/08/986893408.db2.gz OSMWDCXYZHZTQL-HWKANZROSA-N -1 0 331.280 3.181 20 30 EGEDRM CC(C)(C#N)c1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@H]32)cc1 ZINC001589558389 987310292 /nfs/dbraw/zinc/31/02/92/987310292.db2.gz PBKYZQNETBESFS-YESZJQIVSA-N -1 0 340.423 3.203 20 30 EGEDRM CC(C)(C(=O)Nc1ccc(CC(=O)[O-])cc1)c1cc(F)cc(C#N)c1 ZINC001589576102 987354531 /nfs/dbraw/zinc/35/45/31/987354531.db2.gz IGOONUUFFCZAAK-UHFFFAOYSA-N -1 0 340.354 3.241 20 30 EGEDRM CC(C)(C(=O)[O-])[C@@H](NC(=O)NCC1(C#N)CCCC1)c1ccccc1 ZINC001589595858 987415422 /nfs/dbraw/zinc/41/54/22/987415422.db2.gz XYYJZZAACUHBQD-HNNXBMFYSA-N -1 0 343.427 3.222 20 30 EGEDRM CC(C)(C(=O)[O-])n1cc(Nc2cc(Br)ccc2C#N)cn1 ZINC001589670920 987666190 /nfs/dbraw/zinc/66/61/90/987666190.db2.gz JVPBBXDRRXIGBG-UHFFFAOYSA-N -1 0 349.188 3.081 20 30 EGEDRM CC(C)(C)Oc1ccc(NC(=O)c2ccc(C(=O)[O-])[nH]2)cc1C#N ZINC001590409489 989947822 /nfs/dbraw/zinc/94/78/22/989947822.db2.gz RCFROLHQZSRYBY-UHFFFAOYSA-N -1 0 327.340 3.014 20 30 EGEDRM COc1ccc(NC(=O)C[C@@H](CC#N)c2ccccc2)c(C(=O)[O-])c1 ZINC001599589849 993665484 /nfs/dbraw/zinc/66/54/84/993665484.db2.gz PUOOEASEIDLCNN-CQSZACIVSA-N -1 0 338.363 3.419 20 30 EGEDRM COc1cccc(C#CCOC(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC001599641529 994366306 /nfs/dbraw/zinc/36/63/06/994366306.db2.gz YBEPEOVVQBDCJQ-UHFFFAOYSA-N -1 0 344.750 3.255 20 30 EGEDRM COc1cccc([C@H](C(=O)[O-])N2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC001599650178 994486456 /nfs/dbraw/zinc/48/64/56/994486456.db2.gz LIIXCNUWZSHHFI-HXUWFJFHSA-N -1 0 348.402 3.482 20 30 EGEDRM C[C@H](Nc1cc(C#N)sc1[N+](=O)[O-])[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593359726 995020005 /nfs/dbraw/zinc/02/00/05/995020005.db2.gz LDEJMUOCPVKTTE-GXFFZTMASA-N -1 0 345.380 3.272 20 30 EGEDRM C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCCCCCCC(=O)[O-] ZINC001593698070 996160582 /nfs/dbraw/zinc/16/05/82/996160582.db2.gz DRQOEKFWJWTQBH-CQSZACIVSA-N -1 0 331.416 3.296 20 30 EGEDRM COc1cc(C(=O)Oc2cccc(C(C)(C)C(=O)[O-])c2)ccc1C#N ZINC001599388157 996982195 /nfs/dbraw/zinc/98/21/95/996982195.db2.gz YYRGUFYYILVFQP-UHFFFAOYSA-N -1 0 339.347 3.148 20 30 EGEDRM COc1ccc(/C=C\C(=O)[O-])cc1OC(=O)[C@@]1(C#N)CC12CCCC2 ZINC001599540991 997842194 /nfs/dbraw/zinc/84/21/94/997842194.db2.gz BAFSHOQBICUMKU-WPGJWXSHSA-N -1 0 341.363 3.172 20 30 EGEDRM COc1ccc(/C=C/C(=O)[O-])cc1Oc1ccc(C#N)cc1[N+](=O)[O-] ZINC001599545366 997913106 /nfs/dbraw/zinc/91/31/06/997913106.db2.gz DQEMQYBEDDLDOR-QPJJXVBHSA-N -1 0 340.291 3.365 20 30 EGEDRM COc1cc(C#N)ccc1C(=O)Oc1ccc(C(=O)[O-])cc1Cl ZINC001599349052 998061045 /nfs/dbraw/zinc/06/10/45/998061045.db2.gz HLGFDQBAJROSMH-UHFFFAOYSA-N -1 0 331.711 3.138 20 30 EGEDRM COc1ccc(COC(=O)CC2(CC(=O)[O-])CCCC2)cc1C#N ZINC001599575501 998436402 /nfs/dbraw/zinc/43/64/02/998436402.db2.gz IFCTXXIPWSUSKB-UHFFFAOYSA-N -1 0 331.368 3.035 20 30 EGEDRM C[C@H]1CCN(C(=O)C2(c3ccc(C#N)cc3)CCCC2)[C@H](C(=O)[O-])C1 ZINC001594395627 999490252 /nfs/dbraw/zinc/49/02/52/999490252.db2.gz RHBCWBUPCIZOPX-YOEHRIQHSA-N -1 0 340.423 3.082 20 30 EGEDRM C=CCN(c1ccc(C(=O)[O-])cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000020130275 212104135 /nfs/dbraw/zinc/10/41/35/212104135.db2.gz GVUATBIMUZLYQG-UHFFFAOYSA-N -1 0 331.393 3.075 20 30 EGEDRM C[C@H](Oc1ccc(/C=C2/COc3c(F)cccc3C2=O)cc1)C(=O)[O-] ZINC000375588294 257929755 /nfs/dbraw/zinc/92/97/55/257929755.db2.gz RGFURALZZDEDQD-KWJWQAOWSA-N -1 0 342.322 3.336 20 30 EGEDRM COc1ccsc1S(=O)(=O)[N-]c1cc(C#N)ccc1Cl ZINC000121987256 152383628 /nfs/dbraw/zinc/38/36/28/152383628.db2.gz UXDHPKFGCWLUGZ-UHFFFAOYSA-N -1 0 328.802 3.083 20 30 EGEDRM C[C@@]1(C(=O)[O-])CCN(c2c(C#N)cnc3ccc(OC(F)F)cc32)C1 ZINC000263381827 153975110 /nfs/dbraw/zinc/97/51/10/153975110.db2.gz CQWXZKRMLDFNFR-QGZVFWFLSA-N -1 0 347.321 3.009 20 30 EGEDRM CC(C)C[C@H](C)n1nccc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000340040327 155078553 /nfs/dbraw/zinc/07/85/53/155078553.db2.gz CMXSWZZQSQHZLU-ZDUSSCGKSA-N -1 0 332.429 3.163 20 30 EGEDRM C/C=C\c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])cc1 ZINC000341038425 155127183 /nfs/dbraw/zinc/12/71/83/155127183.db2.gz IBEMNMBIRKAZDH-IHWYPQMZSA-N -1 0 343.364 3.300 20 30 EGEDRM CCc1nc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)sc1C ZINC000126551414 162307371 /nfs/dbraw/zinc/30/73/71/162307371.db2.gz CSSHGKLIHMSYTQ-UHFFFAOYSA-N -1 0 341.845 3.340 20 30 EGEDRM Cc1cc(C)cc(CS(=O)(=O)[N-]c2nn(C(C)(C)C)cc2C#N)c1 ZINC000337146357 163144166 /nfs/dbraw/zinc/14/41/66/163144166.db2.gz YHKZORUIEBUMJI-UHFFFAOYSA-N -1 0 346.456 3.069 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccnc(-c3ccccc3)c2)o1 ZINC000342503672 163895260 /nfs/dbraw/zinc/89/52/60/163895260.db2.gz ZPHAIYFCEWDQLS-UHFFFAOYSA-N -1 0 325.349 3.014 20 30 EGEDRM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1c(C)cc(C)cc1OC ZINC000350872482 165077253 /nfs/dbraw/zinc/07/72/53/165077253.db2.gz VMJVGKJANXQLDZ-UHFFFAOYSA-N -1 0 345.424 3.026 20 30 EGEDRM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccccc1SC ZINC000350970129 165087667 /nfs/dbraw/zinc/08/76/67/165087667.db2.gz HBXVPBYKSRMUSM-UHFFFAOYSA-N -1 0 333.438 3.123 20 30 EGEDRM N#CC(=C([O-])c1c[nH]c(C#N)c1)c1nc2ccccc2n1C(F)F ZINC000181427592 270038808 /nfs/dbraw/zinc/03/88/08/270038808.db2.gz SEJFCTJGVNJXMG-LLVKDONJSA-N -1 0 325.278 3.121 20 30 EGEDRM CC[C@H](Sc1ccccc1)C(=O)N=c1[n-]n(C(C)C)cc1C#N ZINC000415254556 267225012 /nfs/dbraw/zinc/22/50/12/267225012.db2.gz KTEVSYUHSSGJOM-HNNXBMFYSA-N -1 0 328.441 3.267 20 30 EGEDRM Cc1ccc(-c2csc(C(C#N)=C([O-])c3cnn(C)c3C#N)n2)cc1 ZINC000361665628 267369484 /nfs/dbraw/zinc/36/94/84/267369484.db2.gz YNYPDPASPANSJN-CYBMUJFWSA-N -1 0 347.403 3.214 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2cc(-c3cccs3)[nH]n2)ccc1C#N ZINC000435721289 268017876 /nfs/dbraw/zinc/01/78/76/268017876.db2.gz HOVSCXPSLYOYTI-UHFFFAOYSA-N -1 0 344.421 3.119 20 30 EGEDRM N#Cc1ccc(C(=O)[O-])nc1/C=C\c1cnn(Cc2ccc(F)cc2)c1 ZINC000435909035 268207307 /nfs/dbraw/zinc/20/73/07/268207307.db2.gz XTICKIIZSDDZTH-CLTKARDFSA-N -1 0 348.337 3.206 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2)cc1F ZINC000427246816 268260083 /nfs/dbraw/zinc/26/00/83/268260083.db2.gz UCOUHGJZQBRMHE-UHFFFAOYSA-N -1 0 328.727 3.291 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ncco3)cc2)cc1F ZINC000427351740 268260420 /nfs/dbraw/zinc/26/04/20/268260420.db2.gz HBBBMOKCUIGXEQ-UHFFFAOYSA-N -1 0 343.339 3.153 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nc3ccsc3s2)cc1F ZINC000427751709 268261637 /nfs/dbraw/zinc/26/16/37/268261637.db2.gz HMTCWSSAHWFFAF-UHFFFAOYSA-N -1 0 339.398 3.169 20 30 EGEDRM Cc1cc(N(C)C)ccc1[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000073314202 307385306 /nfs/dbraw/zinc/38/53/06/307385306.db2.gz UEBQJUYPRIZZHJ-UHFFFAOYSA-N -1 0 349.843 3.387 20 30 EGEDRM CC(C)n1cc(C#N)c(=NC(=O)C2(Cc3ccc(Cl)cc3)CC2)[n-]1 ZINC000539962176 314353850 /nfs/dbraw/zinc/35/38/50/314353850.db2.gz JBQGEZGSTOENQW-UHFFFAOYSA-N -1 0 342.830 3.372 20 30 EGEDRM CC(C)(C)Cc1csc([N-]S(=O)(=O)c2cccc(C#N)c2)n1 ZINC000540653757 314394046 /nfs/dbraw/zinc/39/40/46/314394046.db2.gz UYVUMQSNYHCCHP-UHFFFAOYSA-N -1 0 335.454 3.404 20 30 EGEDRM N#Cc1ccc(CN=c2[n-]nc(Cc3cccc(F)c3)s2)c(F)c1 ZINC000540791798 314403720 /nfs/dbraw/zinc/40/37/20/314403720.db2.gz UGSAPBWDULQCEC-UHFFFAOYSA-N -1 0 342.374 3.313 20 30 EGEDRM N#Cc1ccccc1OC1CCC(N=c2[n-]nc(C(F)F)o2)CC1 ZINC000557631011 315523556 /nfs/dbraw/zinc/52/35/56/315523556.db2.gz USDSNQGRIQVYFO-UHFFFAOYSA-N -1 0 334.326 3.103 20 30 EGEDRM CC(C)Cn1ncc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1C1CC1 ZINC000565445626 316324926 /nfs/dbraw/zinc/32/49/26/316324926.db2.gz VKUORZPYFAENND-UHFFFAOYSA-N -1 0 344.440 3.089 20 30 EGEDRM Cc1cccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nc2)c1C#N ZINC000179545051 323391702 /nfs/dbraw/zinc/39/17/02/323391702.db2.gz GZQVUTWFFVWITF-UHFFFAOYSA-N -1 0 341.314 3.081 20 30 EGEDRM CC(C)[C@H](Oc1ccccc1-c1ccc(C#N)cc1CO)C(=O)[O-] ZINC000579860253 325169420 /nfs/dbraw/zinc/16/94/20/325169420.db2.gz AWKXXJMTPMISGR-SFHVURJKSA-N -1 0 325.364 3.206 20 30 EGEDRM C=CCC1(NC(=O)[C@](C)(CC(=O)[O-])C2CCCCC2)CCOCC1 ZINC000634928778 460611025 /nfs/dbraw/zinc/61/10/25/460611025.db2.gz WJPJYICMOTURIX-GOSISDBHSA-N -1 0 337.460 3.289 20 30 EGEDRM C=CCn1c(=O)c2ccc(C(=O)N3CCC[C@H](C)C3)cc2[n-]c1=S ZINC000016642026 453617307 /nfs/dbraw/zinc/61/73/07/453617307.db2.gz RTQWQSKKGRJKSB-LBPRGKRZSA-N -1 0 343.452 3.117 20 30 EGEDRM COCCOc1cccc(C([O-])=C(C#N)c2nc3ccccc3o2)c1 ZINC000066516497 453849536 /nfs/dbraw/zinc/84/95/36/453849536.db2.gz QTLFOCSINFAOIS-HNNXBMFYSA-N -1 0 336.347 3.343 20 30 EGEDRM COc1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)cc1[N+](=O)[O-] ZINC000041545351 453971479 /nfs/dbraw/zinc/97/14/79/453971479.db2.gz ZCDOVKQLAIQIPO-LLVKDONJSA-N -1 0 337.291 3.235 20 30 EGEDRM N#CC(=C([O-])c1ccc2c(c1)OCCCO2)c1nc2ccccc2o1 ZINC000041544385 453971721 /nfs/dbraw/zinc/97/17/21/453971721.db2.gz QHQIOMBONLXJMM-CYBMUJFWSA-N -1 0 334.331 3.479 20 30 EGEDRM Cc1ccc(-c2cc([N-]S(=O)(=O)c3cccc(C#N)c3)n[nH]2)s1 ZINC000086171153 454042933 /nfs/dbraw/zinc/04/29/33/454042933.db2.gz ZVYVYEMWGDGGIG-UHFFFAOYSA-N -1 0 344.421 3.119 20 30 EGEDRM C=CCS(=O)(=O)[N-]C(=O)C=Cc1cc(Br)ccc1F ZINC000089285743 454133263 /nfs/dbraw/zinc/13/32/63/454133263.db2.gz OXZCFTHHWUYBLV-ZZXKWVIFSA-N -1 0 348.193 3.074 20 30 EGEDRM CC1=NN(c2ccc(C(=O)[N-]S(=O)(=O)C3CCCCC3)cc2)CC1 ZINC000058080097 454162852 /nfs/dbraw/zinc/16/28/52/454162852.db2.gz SIDDZSMKZCBWJL-UHFFFAOYSA-N -1 0 349.456 3.240 20 30 EGEDRM C[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000071883911 454241436 /nfs/dbraw/zinc/24/14/36/454241436.db2.gz XOGDRPKBPMDNCO-POYBYMJQSA-N -1 0 325.283 3.146 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])C=Cc2ccccc2)n1 ZINC000096291583 454316159 /nfs/dbraw/zinc/31/61/59/454316159.db2.gz PFVDWFYEAGGMIO-LJTDUEICSA-N -1 0 326.377 3.209 20 30 EGEDRM Cc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1ncccc1C#N ZINC000191106092 455443478 /nfs/dbraw/zinc/44/34/78/455443478.db2.gz FOVIOMYIFBWOAT-UHFFFAOYSA-N -1 0 341.314 3.081 20 30 EGEDRM Cc1ncc(C=CC(=O)[N-]S(=O)(=O)Cc2ccc(F)cc2)s1 ZINC000096405754 454324753 /nfs/dbraw/zinc/32/47/53/454324753.db2.gz JNYNLZIDHAOQGW-SREVYHEPSA-N -1 0 340.401 3.090 20 30 EGEDRM C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CCC[C@H]1C(=O)[O-] ZINC000132881582 454374035 /nfs/dbraw/zinc/37/40/35/454374035.db2.gz MAMIAFSBXXPRFH-VXGBXAGGSA-N -1 0 327.833 3.417 20 30 EGEDRM Cc1cc(C)cc(OCCC(=O)[N-]S(=O)(=O)c2ccccc2)c1 ZINC000048406585 454486603 /nfs/dbraw/zinc/48/66/03/454486603.db2.gz WSLHDIJZYFFOTR-UHFFFAOYSA-N -1 0 333.409 3.418 20 30 EGEDRM COc1ccc(C(=O)[N-]S(=O)(=O)C=Cc2ccccc2)c(OC)c1 ZINC000048529440 454496622 /nfs/dbraw/zinc/49/66/22/454496622.db2.gz DUZOYSGSFIELHW-ZHACJKMWSA-N -1 0 347.392 3.009 20 30 EGEDRM N#CC(=C([O-])c1cnn2c1nccc2-c1ccccc1)c1ccccn1 ZINC000049458314 454549860 /nfs/dbraw/zinc/54/98/60/454549860.db2.gz GNHROELHJQZIGW-OAHLLOKOSA-N -1 0 339.358 3.281 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)c2nc3ccccc3n2C)ccc1[N+](=O)[O-] ZINC000122696212 454560330 /nfs/dbraw/zinc/56/03/30/454560330.db2.gz LHMCAGUIEOBLEA-ZDUSSCGKSA-N -1 0 334.335 3.280 20 30 EGEDRM CCN(C)C(=O)c1cccc(C([O-])=C(C#N)c2nc(C)cs2)c1 ZINC000103795854 454568824 /nfs/dbraw/zinc/56/88/24/454568824.db2.gz KGLOGWVITVJTQI-AWEZNQCLSA-N -1 0 327.409 3.034 20 30 EGEDRM CCN(Cc1ccccc1C)C(=O)c1cc(C#N)c(SC)[n-]c1=O ZINC000074474084 454589644 /nfs/dbraw/zinc/58/96/44/454589644.db2.gz WQZCCVWAMYIUEH-UHFFFAOYSA-N -1 0 341.436 3.352 20 30 EGEDRM O=C(C=Cc1ccnc(Cl)c1)[N-]S(=O)(=O)Cc1ccccc1 ZINC000092693774 454612390 /nfs/dbraw/zinc/61/23/90/454612390.db2.gz FWXPPVPPANNZAZ-VOTSOKGWSA-N -1 0 336.800 3.235 20 30 EGEDRM CCN(C[C@@H](C)C#N)C(=O)c1nn(-c2ccc(C(C)C)cc2)cc1[O-] ZINC000124234051 454708901 /nfs/dbraw/zinc/70/89/01/454708901.db2.gz VFVQBGFRNFXNDV-AWEZNQCLSA-N -1 0 340.427 3.323 20 30 EGEDRM Cc1ccc(-c2ccc(CN3C(=O)CC[C@@H]3C(=O)[O-])cc2)cc1C#N ZINC000600964485 460659315 /nfs/dbraw/zinc/65/93/15/460659315.db2.gz BQVWLDDYGDHFNV-GOSISDBHSA-N -1 0 334.375 3.109 20 30 EGEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]c2cc(F)ccc2Cl)c(F)c1 ZINC000129896433 455133046 /nfs/dbraw/zinc/13/30/46/455133046.db2.gz KUVQNSLYRBXAFB-UHFFFAOYSA-N -1 0 346.717 3.430 20 30 EGEDRM CS[C@@H](C)C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000237408155 455183217 /nfs/dbraw/zinc/18/32/17/455183217.db2.gz QELUUPNBMVSUTC-ZDUSSCGKSA-N -1 0 339.416 3.475 20 30 EGEDRM C=C[C@@H](CC(=O)NCc1ccc(OC)c(C(=O)[O-])c1)c1ccccc1 ZINC000190507349 455334414 /nfs/dbraw/zinc/33/44/14/455334414.db2.gz CRTUJYKQQKQBIM-HNNXBMFYSA-N -1 0 339.391 3.370 20 30 EGEDRM CCOC(=O)N1CC[C@H](/N=C/c2cc(Cl)cc(Cl)c2[O-])C1 ZINC000184533606 455397658 /nfs/dbraw/zinc/39/76/58/455397658.db2.gz XFJDIALJWQCPAQ-MIUNIBSDSA-N -1 0 331.199 3.349 20 30 EGEDRM Cc1cccc([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])c1C#N ZINC000191788607 455519230 /nfs/dbraw/zinc/51/92/30/455519230.db2.gz IDVHLRHGIHPSBT-UHFFFAOYSA-N -1 0 345.380 3.193 20 30 EGEDRM N#CC(=C([O-])c1cc(F)cc2nccnc21)c1nc2ccccc2o1 ZINC000193620183 455766795 /nfs/dbraw/zinc/76/67/95/455766795.db2.gz UEWJGDSCNIJMDT-GFCCVEGCSA-N -1 0 332.294 3.400 20 30 EGEDRM N#CC(=C([O-])c1cc(C2CC2)[nH]n1)c1nc(-c2ccncc2)cs1 ZINC000194181856 455812811 /nfs/dbraw/zinc/81/28/11/455812811.db2.gz CYMMIDMTNQKHKJ-GFCCVEGCSA-N -1 0 335.392 3.296 20 30 EGEDRM COc1cccc(C)c1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000194216212 455816070 /nfs/dbraw/zinc/81/60/70/455816070.db2.gz NQUPUUIJTCSIJB-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM Cc1cnc(OC(C)C)c([N-]S(=O)(=O)c2ccccc2CC#N)c1 ZINC000294950930 455833364 /nfs/dbraw/zinc/83/33/64/455833364.db2.gz AVRDSDYUXBPNCR-UHFFFAOYSA-N -1 0 345.424 3.044 20 30 EGEDRM N#CC1([N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)CCCCC1 ZINC000295412436 455849025 /nfs/dbraw/zinc/84/90/25/455849025.db2.gz XMWDAYKXRGUSQC-UHFFFAOYSA-N -1 0 334.775 3.123 20 30 EGEDRM C=CCOCCCC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000262398857 456032854 /nfs/dbraw/zinc/03/28/54/456032854.db2.gz AJAHMWWBAPMMJZ-UHFFFAOYSA-N -1 0 343.379 3.225 20 30 EGEDRM C=CCC[C@@H](NC(=O)[C@@H](CC)Oc1ccccc1Cl)C(=O)[O-] ZINC000262858810 456063106 /nfs/dbraw/zinc/06/31/06/456063106.db2.gz INKVEXUPXWDKII-CHWSQXEVSA-N -1 0 325.792 3.033 20 30 EGEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000263458716 456151229 /nfs/dbraw/zinc/15/12/29/456151229.db2.gz CWSHEBIOHCPLLU-SJCJKPOMSA-N -1 0 347.440 3.267 20 30 EGEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC(C(=O)[O-])CC1 ZINC000263484594 456156883 /nfs/dbraw/zinc/15/68/83/456156883.db2.gz MDQPONKLTWBDMD-LBPRGKRZSA-N -1 0 347.440 3.267 20 30 EGEDRM C=CCCS(=O)(=O)[N-]c1nn(-c2ccc(Cl)cc2)cc1C ZINC000337154732 456331774 /nfs/dbraw/zinc/33/17/74/456331774.db2.gz NFCRQJXKBUYFMQ-UHFFFAOYSA-N -1 0 325.821 3.152 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(-n3cccc3)c2)s1 ZINC000337864713 456574886 /nfs/dbraw/zinc/57/48/86/456574886.db2.gz NQPIYIZMUNZGKF-UHFFFAOYSA-N -1 0 329.406 3.211 20 30 EGEDRM N#CC(=C([O-])c1cnn2ccccc12)c1nc(-c2ccncc2)cs1 ZINC000343482455 456650897 /nfs/dbraw/zinc/65/08/97/456650897.db2.gz HDXJHYPSSZQTMM-CYBMUJFWSA-N -1 0 345.387 3.343 20 30 EGEDRM N#CCc1ccccc1[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000340727203 456651988 /nfs/dbraw/zinc/65/19/88/456651988.db2.gz PMUVERCEXNQGAP-UHFFFAOYSA-N -1 0 342.754 3.485 20 30 EGEDRM CC(C)(CCC#N)CNC(=O)N=c1[n-]nc(-c2ccccc2)s1 ZINC000348377607 456655857 /nfs/dbraw/zinc/65/58/57/456655857.db2.gz DWPMIWZDOCPUEG-UHFFFAOYSA-N -1 0 329.429 3.078 20 30 EGEDRM CC(C)(C)n1cc(C#N)c(=NC(=O)[C@H]2C[C@H]2c2ccccc2Cl)[n-]1 ZINC000348467154 456701449 /nfs/dbraw/zinc/70/14/49/456701449.db2.gz UVKCKPFGGVUSIP-KBPBESRZSA-N -1 0 342.830 3.327 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(C(C)=O)cc2)n1 ZINC000340867997 456730707 /nfs/dbraw/zinc/73/07/07/456730707.db2.gz CBXVWNWESBCJCC-CYBMUJFWSA-N -1 0 342.376 3.012 20 30 EGEDRM C[C@@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000340967185 456789139 /nfs/dbraw/zinc/78/91/39/456789139.db2.gz UJAMWXMMGIPKMK-NSHDSACASA-N -1 0 347.421 3.346 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2F)o1 ZINC000340975238 456794093 /nfs/dbraw/zinc/79/40/93/456794093.db2.gz SMRMTBDOWIZRCS-UHFFFAOYSA-N -1 0 335.143 3.398 20 30 EGEDRM CC(C)(C#N)c1ccc(NC(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)cc1 ZINC000348758129 456844176 /nfs/dbraw/zinc/84/41/76/456844176.db2.gz YUQHEIPFFFZWBI-UHFFFAOYSA-N -1 0 348.362 3.083 20 30 EGEDRM C=C(CNS(=O)(=O)c1cc(F)c(F)cc1F)c1ccccc1 ZINC000344876155 456868412 /nfs/dbraw/zinc/86/84/12/456868412.db2.gz FXNXSRQHDXJBGT-UHFFFAOYSA-N -1 0 327.327 3.096 20 30 EGEDRM O=C(N=c1[n-]nc(C(F)F)s1)NC[C@@H]1CCC2(CCCCC2)O1 ZINC000330121055 456988356 /nfs/dbraw/zinc/98/83/56/456988356.db2.gz JJJKFBACYWUPDT-VIFPVBQESA-N -1 0 346.403 3.105 20 30 EGEDRM CCc1sc(C([O-])=C(C#N)c2ccncn2)cc1Br ZINC000345991878 457009415 /nfs/dbraw/zinc/00/94/15/457009415.db2.gz KOUCVISCGGCPQI-QMMMGPOBSA-N -1 0 336.214 3.353 20 30 EGEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356503214 457025808 /nfs/dbraw/zinc/02/58/08/457025808.db2.gz FGNAIQDMVHCVFQ-UHFFFAOYSA-N -1 0 342.351 3.137 20 30 EGEDRM CC(C)C[C@@H]1C[C@H](NC(=O)N=c2nc(C(C)(C)C)[n-]s2)CCO1 ZINC000330698654 457071766 /nfs/dbraw/zinc/07/17/66/457071766.db2.gz LTICUIZSCGPLKF-VXGBXAGGSA-N -1 0 340.493 3.177 20 30 EGEDRM CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000330776500 457084276 /nfs/dbraw/zinc/08/42/76/457084276.db2.gz JBJPSNQNXPFEMW-IAQYHMDHSA-N -1 0 336.388 3.446 20 30 EGEDRM Cc1nn(-c2ccc(Cl)cc2)cc1C([O-])=C(C#N)c1ccncn1 ZINC000354468763 457242821 /nfs/dbraw/zinc/24/28/21/457242821.db2.gz PMTQUZFPWCUXRE-AWEZNQCLSA-N -1 0 337.770 3.114 20 30 EGEDRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N[C@H]3CCC[C@@H]3C#N)n2)cc1 ZINC000332103196 457305227 /nfs/dbraw/zinc/30/52/27/457305227.db2.gz DCBLUKGCKPDGME-ZBFHGGJFSA-N -1 0 338.411 3.123 20 30 EGEDRM Cc1cc2sc([N-]S(=O)(=O)c3ccc(C#N)o3)nc2c(C)c1 ZINC000342456234 457312867 /nfs/dbraw/zinc/31/28/67/457312867.db2.gz XKVNRFRACIOFFU-UHFFFAOYSA-N -1 0 333.394 3.179 20 30 EGEDRM Cc1nc(C)c(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)nc1C ZINC000342465910 457318406 /nfs/dbraw/zinc/31/84/06/457318406.db2.gz YKZMOMGQUXIMIY-GFCCVEGCSA-N -1 0 334.301 3.306 20 30 EGEDRM CCC(C)(C)c1ccc([N-]S(=O)(=O)c2cncc(C#N)c2)cc1 ZINC000357108137 457325539 /nfs/dbraw/zinc/32/55/39/457325539.db2.gz SWGRWCPKBSHASZ-UHFFFAOYSA-N -1 0 329.425 3.442 20 30 EGEDRM N#Cc1cncc(S(=O)(=O)[N-]c2cccc(-c3cccs3)c2)c1 ZINC000357123809 457335529 /nfs/dbraw/zinc/33/55/29/457335529.db2.gz SXVLYSNOIZKEEK-UHFFFAOYSA-N -1 0 341.417 3.483 20 30 EGEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1C(=O)[O-] ZINC000347371676 457382340 /nfs/dbraw/zinc/38/23/40/457382340.db2.gz PQDQWFPXCGRENB-UHFFFAOYSA-N -1 0 339.391 3.151 20 30 EGEDRM C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)C1CCC(C(F)(F)F)CC1 ZINC000408493655 457571574 /nfs/dbraw/zinc/57/15/74/457571574.db2.gz ASYWSZXNKVGAJT-UHFFFAOYSA-N -1 0 341.395 3.156 20 30 EGEDRM Cn1ncc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)c1C#N ZINC000361677786 457818913 /nfs/dbraw/zinc/81/89/13/457818913.db2.gz JKWHUGFICIHHJI-VIFPVBQESA-N -1 0 341.783 3.045 20 30 EGEDRM Cc1nc2ccc(C([O-])=C(C#N)c3cnc4ccccc4n3)cc2n1C ZINC000361841098 457901076 /nfs/dbraw/zinc/90/10/76/457901076.db2.gz BNXUINCXFJRRHT-CQSZACIVSA-N -1 0 341.374 3.315 20 30 EGEDRM N#CC(=C([O-])c1ccccc1[N+](=O)[O-])c1cc(C(F)(F)F)ccn1 ZINC000362127993 458032745 /nfs/dbraw/zinc/03/27/45/458032745.db2.gz CHOUEGIWOAWYMP-NSHDSACASA-N -1 0 335.241 3.499 20 30 EGEDRM Cc1oc(C#N)cc1C(=O)N=c1nc(-c2cccc(Cl)c2)[n-]s1 ZINC000435681953 458183835 /nfs/dbraw/zinc/18/38/35/458183835.db2.gz KFCKUSHANRZXEV-UHFFFAOYSA-N -1 0 344.783 3.306 20 30 EGEDRM N#Cc1cccc([C@H]2CN(C(=O)c3ccc([O-])c(Cl)c3)CCO2)c1 ZINC000369368882 458191505 /nfs/dbraw/zinc/19/15/05/458191505.db2.gz IJNZZCJSMUQGEI-QGZVFWFLSA-N -1 0 342.782 3.131 20 30 EGEDRM Cc1cc2n[nH]cc2cc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000358806454 458229650 /nfs/dbraw/zinc/22/96/50/458229650.db2.gz WVPQUDNUKCKCMH-UHFFFAOYSA-N -1 0 346.799 3.197 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(C3CC3)cn2)n1 ZINC000447121261 458266253 /nfs/dbraw/zinc/26/62/53/458266253.db2.gz KJLDOWFECYYPFY-LBPRGKRZSA-N -1 0 341.392 3.082 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(C3CC3)cn2)n1 ZINC000447121260 458266907 /nfs/dbraw/zinc/26/69/07/458266907.db2.gz KJLDOWFECYYPFY-GFCCVEGCSA-N -1 0 341.392 3.082 20 30 EGEDRM Cc1cc(C#N)cc(NC(=O)CC2(C(=O)[O-])Cc3ccccc3C2)c1 ZINC000414084212 458314275 /nfs/dbraw/zinc/31/42/75/458314275.db2.gz FEVOLMJQMTVYGI-UHFFFAOYSA-N -1 0 334.375 3.065 20 30 EGEDRM N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)CC1(C(=O)[O-])CCCC1 ZINC000416382667 458346274 /nfs/dbraw/zinc/34/62/74/458346274.db2.gz AYXICIZFJNHATF-MRXNPFEDSA-N -1 0 326.396 3.087 20 30 EGEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000416936830 458357244 /nfs/dbraw/zinc/35/72/44/458357244.db2.gz CFUNIPLATGKSFD-AWEZNQCLSA-N -1 0 331.397 3.263 20 30 EGEDRM C=CCC1(C(=O)N(C)Cc2nc(=O)c3sccc3[n-]2)CCCC1 ZINC000449207847 458422000 /nfs/dbraw/zinc/42/20/00/458422000.db2.gz QNXVKHOVUOXDBC-UHFFFAOYSA-N -1 0 331.441 3.492 20 30 EGEDRM C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)c1ccc(Cl)cc1Cl ZINC000451895391 458490265 /nfs/dbraw/zinc/49/02/65/458490265.db2.gz DTAWSKXRMWRIQN-NEPJUHHUSA-N -1 0 336.240 3.005 20 30 EGEDRM C[C@@H](C(=O)N=c1nc(Cc2ccccc2)[n-]s1)c1cccc(C#N)c1 ZINC000462050941 458590438 /nfs/dbraw/zinc/59/04/38/458590438.db2.gz SLZYFPOEKXMNCP-CYBMUJFWSA-N -1 0 348.431 3.165 20 30 EGEDRM C=CCC(C)(C)CNC(=O)N=c1[n-]nc(-c2ccccc2OC)s1 ZINC000455759569 458612167 /nfs/dbraw/zinc/61/21/67/458612167.db2.gz LBQVWUUPCGBNRF-UHFFFAOYSA-N -1 0 346.456 3.359 20 30 EGEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000494650131 458719318 /nfs/dbraw/zinc/71/93/18/458719318.db2.gz RVUILMLWTPGGFG-UHFFFAOYSA-N -1 0 330.409 3.491 20 30 EGEDRM C=C(C)C[C@@H](C)C(=O)N[C@H](C(=O)[O-])c1ccc(OC(F)F)cc1 ZINC000439932556 458767236 /nfs/dbraw/zinc/76/72/36/458767236.db2.gz XIZXPJXMFGKAIR-MFKMUULPSA-N -1 0 327.327 3.132 20 30 EGEDRM C=CCC[C@@H](NC(=O)Nc1cccc(COCC2CC2)c1)C(=O)[O-] ZINC000577264737 459007976 /nfs/dbraw/zinc/00/79/76/459007976.db2.gz ZMCIAIOAWVBIQS-MRXNPFEDSA-N -1 0 332.400 3.154 20 30 EGEDRM Cn1cc(C([O-])=C(C#N)c2cnc3ccccc3n2)c(C2CCC2)n1 ZINC000557318915 459063968 /nfs/dbraw/zinc/06/39/68/459063968.db2.gz BLHGSKTWGFTFDN-ZDUSSCGKSA-N -1 0 331.379 3.121 20 30 EGEDRM C=C(C)[C@@H]1OCC[C@H]1CNc1ncnc2sc(C(=O)[O-])c(C)c21 ZINC000577638185 459066559 /nfs/dbraw/zinc/06/65/59/459066559.db2.gz POUKYKUMWBLMOF-JQWIXIFHSA-N -1 0 333.413 3.091 20 30 EGEDRM C=CCCSCCNC(=O)N[C@@H](C(=O)[O-])c1cc(C)cc(C)c1 ZINC000594689958 459131264 /nfs/dbraw/zinc/13/12/64/459131264.db2.gz BZZWBGFJSCTTQL-OAHLLOKOSA-N -1 0 336.457 3.038 20 30 EGEDRM N#CCCC1CCN(C(=O)N=c2nc(-c3ccsc3)[n-]s2)CC1 ZINC000578010481 459131950 /nfs/dbraw/zinc/13/19/50/459131950.db2.gz LZSGFLSYBIGRJH-UHFFFAOYSA-N -1 0 347.469 3.236 20 30 EGEDRM Cn1cc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)c(C(F)F)n1 ZINC000521382092 459145237 /nfs/dbraw/zinc/14/52/37/459145237.db2.gz ASMNCKLHNKSOPR-QMMMGPOBSA-N -1 0 344.243 3.262 20 30 EGEDRM N#CC1(C(=O)Nc2n[nH]c(-c3ccc4ccccc4n3)n2)CCCCC1 ZINC000590557022 459148220 /nfs/dbraw/zinc/14/82/20/459148220.db2.gz WNRAGOLOHJMOOD-UHFFFAOYSA-N -1 0 346.394 3.432 20 30 EGEDRM CCCCCc1n[n-]c(=NC(=O)N2CCC(CCC#N)CC2)s1 ZINC000567813266 459171585 /nfs/dbraw/zinc/17/15/85/459171585.db2.gz YWIPICBOZBDTLZ-UHFFFAOYSA-N -1 0 335.477 3.240 20 30 EGEDRM C=CCOc1ccccc1CNC(=O)N=c1[n-]nc(C(C)(C)C)s1 ZINC000522091519 459212875 /nfs/dbraw/zinc/21/28/75/459212875.db2.gz FNTSBWXPWAAXJM-UHFFFAOYSA-N -1 0 346.456 3.144 20 30 EGEDRM CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(CN=Nc2ccc(C(=O)[O-])cc2)C1 ZINC000496560178 459239427 /nfs/dbraw/zinc/23/94/27/459239427.db2.gz WOQVPHUVODXKCU-FZKQIMNGSA-N -1 0 345.399 3.040 20 30 EGEDRM CC(C)(C#N)CCS(=O)(=O)[N-]c1cc(F)ccc1OCC1CC1 ZINC000580437430 459259882 /nfs/dbraw/zinc/25/98/82/459259882.db2.gz USUIFXUVYFPKOF-UHFFFAOYSA-N -1 0 340.420 3.296 20 30 EGEDRM C=C1CCN([C@@H](C(=O)[O-])c2ccc(Br)cc2F)CC1 ZINC000582068130 459302710 /nfs/dbraw/zinc/30/27/10/459302710.db2.gz XTWAVXIPKFXBJC-CYBMUJFWSA-N -1 0 328.181 3.366 20 30 EGEDRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N[C@@H](C#N)C(C)(C)C)n2)c1 ZINC000560197620 459311317 /nfs/dbraw/zinc/31/13/17/459311317.db2.gz QWXYDBICJQWAFV-INIZCTEOSA-N -1 0 340.427 3.369 20 30 EGEDRM CC(C)(C)n1cc(C#N)c(=NC(=O)c2ccc(F)c3ccccc23)[n-]1 ZINC000483733164 459386838 /nfs/dbraw/zinc/38/68/38/459386838.db2.gz UBZBKQHQNCSRRT-UHFFFAOYSA-N -1 0 336.370 3.476 20 30 EGEDRM C=C[C@H]1CCCCN1C(=O)N=c1[n-]nc(-c2ccc(OC)cc2)s1 ZINC000488605473 459548419 /nfs/dbraw/zinc/54/84/19/459548419.db2.gz HWXCLPDSWOMXAL-ZDUSSCGKSA-N -1 0 344.440 3.208 20 30 EGEDRM COc1cccc2c1CCCN2C(=O)Nc1snc(C)c1C#N ZINC000583550858 459557523 /nfs/dbraw/zinc/55/75/23/459557523.db2.gz YLYNPRDCPCZCFW-UHFFFAOYSA-N -1 0 328.397 3.317 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)N2CC(C)(C)[C@@H]3CCC[C@@H]32)cc1C#N ZINC000573638591 459709976 /nfs/dbraw/zinc/70/99/76/459709976.db2.gz SBTVUKQFZSGZBE-OLZOCXBDSA-N -1 0 331.441 3.031 20 30 EGEDRM CC(=O)c1cc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)n(C)c1 ZINC000592973644 459726438 /nfs/dbraw/zinc/72/64/38/459726438.db2.gz DBTTZROJIRYDFF-GFCCVEGCSA-N -1 0 341.367 3.467 20 30 EGEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)NC1(CC(=O)[O-])CCC1 ZINC000593013872 459740242 /nfs/dbraw/zinc/74/02/42/459740242.db2.gz BJGYNDABDCSDON-LBPRGKRZSA-N -1 0 347.440 3.457 20 30 EGEDRM C[C@H]1CCn2ncc(C([O-])=C(C#N)c3ccc(C(F)(F)F)cn3)c2C1 ZINC000574039529 459771623 /nfs/dbraw/zinc/77/16/23/459771623.db2.gz RIVFGQMCRRXWOE-CMPLNLGQSA-N -1 0 348.328 3.369 20 30 EGEDRM C=CCC[C@@H](NC(=O)NCc1ccc(OCCC)cc1C)C(=O)[O-] ZINC000565994986 459790848 /nfs/dbraw/zinc/79/08/48/459790848.db2.gz SSSUUGNYWDYGEL-MRXNPFEDSA-N -1 0 334.416 3.002 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2ccc(C(=O)OC(C)(C)C)nc2)n1 ZINC000593453616 459893417 /nfs/dbraw/zinc/89/34/17/459893417.db2.gz IVIUAGDOAQXGFO-LBPRGKRZSA-N -1 0 343.408 3.292 20 30 EGEDRM CCc1ccccc1-n1cc([O-])c(C(=O)N(CC#N)C2CCCC2)n1 ZINC000597276196 459902144 /nfs/dbraw/zinc/90/21/44/459902144.db2.gz DEGRVPZUWSYWOH-UHFFFAOYSA-N -1 0 338.411 3.049 20 30 EGEDRM CCCCc1n[n-]c(=NC(=O)N[C@@H](C)c2cccc(C#N)c2)s1 ZINC000610319105 460118854 /nfs/dbraw/zinc/11/88/54/460118854.db2.gz UWYUUJINGZZPKO-NSHDSACASA-N -1 0 329.429 3.057 20 30 EGEDRM CC[C@@](C)(O)CN(Cc1ccccc1)C(=O)c1cc(O)cc(C#N)c1 ZINC000615299770 460306102 /nfs/dbraw/zinc/30/61/02/460306102.db2.gz HUEGHKXARNSJAY-HXUWFJFHSA-N -1 0 338.407 3.067 20 30 EGEDRM Cc1ccccc1C1(C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)CCCC1 ZINC000601737222 460886069 /nfs/dbraw/zinc/88/60/69/460886069.db2.gz LPBYEQILMXYGLC-UHFFFAOYSA-N -1 0 334.423 3.340 20 30 EGEDRM Cc1nocc1S(=O)(=O)[N-]c1ccccc1S[C@H](C)CC#N ZINC000601975833 460967322 /nfs/dbraw/zinc/96/73/22/460967322.db2.gz KTVHFSJXYQVMFG-SNVBAGLBSA-N -1 0 337.426 3.178 20 30 EGEDRM CC[C@](C)(CC(=O)[O-])C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000601982685 460970721 /nfs/dbraw/zinc/97/07/21/460970721.db2.gz LWHHBRJUDDHHKF-CQSZACIVSA-N -1 0 339.189 3.150 20 30 EGEDRM C[C@@H](NC(=O)[C@](C)(CC(=O)[O-])c1ccsc1)c1cccc(C#N)c1 ZINC000601991792 460975886 /nfs/dbraw/zinc/97/58/86/460975886.db2.gz PWROUTZFYKBBQN-KZULUSFZSA-N -1 0 342.420 3.230 20 30 EGEDRM C=CCOC[C@H](NC(=O)C1(c2ccccc2)CCCCCC1)C(=O)[O-] ZINC000630186590 461054262 /nfs/dbraw/zinc/05/42/62/461054262.db2.gz VYZAXESSDHLXTM-KRWDZBQOSA-N -1 0 345.439 3.051 20 30 EGEDRM C=CCSc1ccccc1NC(=O)CN1CCC(C)(C(=O)[O-])CC1 ZINC000647372771 461663378 /nfs/dbraw/zinc/66/33/78/461663378.db2.gz UDPGUNKCKRVVIN-UHFFFAOYSA-N -1 0 348.468 3.090 20 30 EGEDRM N#CC(=C([O-])c1cc(=O)[nH]c(C2CC2)c1)c1nc(C2CC2)cs1 ZINC000647379253 461668067 /nfs/dbraw/zinc/66/80/67/461668067.db2.gz VCKYVPPCUKNIMS-LBPRGKRZSA-N -1 0 325.393 3.489 20 30 EGEDRM C=CCCOCC(=O)N[C@@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000653651000 461785229 /nfs/dbraw/zinc/78/52/29/461785229.db2.gz DUPYJPMERKPQLX-OAHLLOKOSA-N -1 0 346.210 3.002 20 30 EGEDRM N#CC(=C([O-])c1nnc2ccccc2n1)c1nccc2ccccc21 ZINC000355402156 547715466 /nfs/dbraw/zinc/71/54/66/547715466.db2.gz AFIIACARRCQVMC-CQSZACIVSA-N -1 0 325.331 3.063 20 30 EGEDRM CC(=O)c1ccc([O-])c(NC(=O)c2cc3ccccc3n2CC#N)c1 ZINC000679724884 549768982 /nfs/dbraw/zinc/76/89/82/549768982.db2.gz CQQPELUWSPGUOT-UHFFFAOYSA-N -1 0 333.347 3.325 20 30 EGEDRM COc1ccc2[nH]c(S[C@H](C(=O)[O-])c3ccc(C#N)cc3)nc2c1 ZINC000738079518 574665639 /nfs/dbraw/zinc/66/56/39/574665639.db2.gz QBAOOTFTJYUELZ-HNNXBMFYSA-N -1 0 339.376 3.361 20 30 EGEDRM COc1ccc(Cl)cc1C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000738017222 574899428 /nfs/dbraw/zinc/89/94/28/574899428.db2.gz VHUCPUVLXNBINN-OAHLLOKOSA-N -1 0 345.738 3.203 20 30 EGEDRM O=C([O-])C(F)(F)Oc1ccc(/C=C\C(=O)c2ccc(O)cc2)cc1 ZINC000730732706 575015032 /nfs/dbraw/zinc/01/50/32/575015032.db2.gz NOLCJWVPFQYETQ-KMKOMSMNSA-N -1 0 334.274 3.345 20 30 EGEDRM O=C([O-])COc1cccc(CN=Nc2nccc3sccc32)c1 ZINC000733203726 575319714 /nfs/dbraw/zinc/31/97/14/575319714.db2.gz XJWATGCNXWVYIP-UHFFFAOYSA-N -1 0 327.365 3.206 20 30 EGEDRM O=C([O-])COc1cccc(CN=Nc2ncccc2C(F)(F)F)c1 ZINC000733203755 575319735 /nfs/dbraw/zinc/31/97/35/575319735.db2.gz YXFWBZQMQCRAKA-UHFFFAOYSA-N -1 0 339.273 3.010 20 30 EGEDRM COc1ccc(C(=O)/C=C\c2cccc(OCC(=O)[O-])c2)c(F)c1 ZINC000733205124 575319904 /nfs/dbraw/zinc/31/99/04/575319904.db2.gz LDGQEJPDZIXCGL-YVMONPNESA-N -1 0 330.311 3.194 20 30 EGEDRM C#CCOc1cccc([N-]S(=O)(=O)c2cccc3cccnc32)c1 ZINC000734743098 575547850 /nfs/dbraw/zinc/54/78/50/575547850.db2.gz KJVPJQBNNFBLDG-UHFFFAOYSA-N -1 0 338.388 3.048 20 30 EGEDRM COC(=O)c1cc(Cl)cc(N=Cc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000735979017 575746790 /nfs/dbraw/zinc/74/67/90/575746790.db2.gz UFCZCHFJLDITGA-UHFFFAOYSA-N -1 0 334.715 3.491 20 30 EGEDRM C=CCN(CC=C)C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000736107925 575897045 /nfs/dbraw/zinc/89/70/45/575897045.db2.gz AZQBTWVLNVMYNE-UHFFFAOYSA-N -1 0 326.299 3.192 20 30 EGEDRM C#CCOc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)[O-])cc1 ZINC000736088861 575898187 /nfs/dbraw/zinc/89/81/87/575898187.db2.gz FUCXGJNJOCQBRY-UHFFFAOYSA-N -1 0 329.739 3.303 20 30 EGEDRM C#Cc1cccc(NC(=S)N2C[C@H](CC(=O)[O-])c3ccccc32)c1 ZINC000736090682 575898456 /nfs/dbraw/zinc/89/84/56/575898456.db2.gz GOXMOXHOXWYVED-AWEZNQCLSA-N -1 0 336.416 3.443 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)/C=C\C1CCOCC1 ZINC000736114128 575900210 /nfs/dbraw/zinc/90/02/10/575900210.db2.gz HJLJYSWUUJOQQY-WAYWQWQTSA-N -1 0 346.379 3.010 20 30 EGEDRM C/C(=C/C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1cccc(F)c1 ZINC000736121830 575902478 /nfs/dbraw/zinc/90/24/78/575902478.db2.gz UVMZYDYHJAIRPL-ZVBPTUHVSA-N -1 0 339.322 3.470 20 30 EGEDRM C[C@@H](CC(=O)[O-])SCCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000736552691 575983549 /nfs/dbraw/zinc/98/35/49/575983549.db2.gz PNTSBNIPSXSEDM-VIFPVBQESA-N -1 0 338.454 3.033 20 30 EGEDRM C[C@@H](CSCC(=O)N(CCC#N)c1cccc(Cl)c1)C(=O)[O-] ZINC000736616412 575989510 /nfs/dbraw/zinc/98/95/10/575989510.db2.gz KNFPTGDMXFSUGE-NSHDSACASA-N -1 0 340.832 3.041 20 30 EGEDRM CN(CCCC(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1)C(=O)[O-] ZINC000737415079 576223924 /nfs/dbraw/zinc/22/39/24/576223924.db2.gz DWRXBXZAPQIJSL-ZDUSSCGKSA-N -1 0 343.408 3.376 20 30 EGEDRM COc1ccc(C(=O)[O-])c(NC(=O)c2cc3ccccc3n2CC#N)c1 ZINC000737933373 576273665 /nfs/dbraw/zinc/27/36/65/576273665.db2.gz KQWYLWYZRVFISR-UHFFFAOYSA-N -1 0 349.346 3.124 20 30 EGEDRM COCc1ccc(/C=C/C(=O)c2cccc(OCC(=O)[O-])c2)cc1 ZINC000738071501 576284932 /nfs/dbraw/zinc/28/49/32/576284932.db2.gz IFSDTNBJDDMAOG-MDZDMXLPSA-N -1 0 326.348 3.193 20 30 EGEDRM Cc1cccc2[nH]c([C@@H](C#N)C(=O)c3ccc(NC(=O)[O-])cc3)nc21 ZINC000738309958 576312991 /nfs/dbraw/zinc/31/29/91/576312991.db2.gz FXRHPBGJTGSSDZ-ZDUSSCGKSA-N -1 0 334.335 3.451 20 30 EGEDRM Cc1cccn2c(/C=C\C(=O)c3cccc(OCC(=O)[O-])c3)cnc12 ZINC000738321987 576314012 /nfs/dbraw/zinc/31/40/12/576314012.db2.gz HQQBRIUVVYNMEB-FPLPWBNLSA-N -1 0 336.347 3.002 20 30 EGEDRM N#CCn1c(C(=O)Nc2ccccc2CC(=O)[O-])cc2ccccc21 ZINC000738426134 576324160 /nfs/dbraw/zinc/32/41/60/576324160.db2.gz VGUBULOKHFDEIF-UHFFFAOYSA-N -1 0 333.347 3.044 20 30 EGEDRM N#Cc1ccc(CN(C(=O)Nc2cccc(CC(=O)[O-])c2)C2CC2)cc1 ZINC000738433150 576325556 /nfs/dbraw/zinc/32/55/56/576325556.db2.gz YRMDGAKCWPVJAU-UHFFFAOYSA-N -1 0 349.390 3.382 20 30 EGEDRM Cc1cccc(N2CCN([C@@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)c1C ZINC000738733411 576356619 /nfs/dbraw/zinc/35/66/19/576356619.db2.gz WINJKLHIHIJJGC-HXUWFJFHSA-N -1 0 349.434 3.123 20 30 EGEDRM Cc1cccc(O[C@H](C)C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000738735200 576356867 /nfs/dbraw/zinc/35/68/67/576356867.db2.gz RSWALGDDVXJSLU-CXAGYDPISA-N -1 0 339.347 3.003 20 30 EGEDRM Cc1cccn2c(/C=C\C(=O)c3ccc(OCC(=O)[O-])cc3)cnc12 ZINC000738785132 576360981 /nfs/dbraw/zinc/36/09/81/576360981.db2.gz HSQMRSBNOOXMBA-TWGQIWQCSA-N -1 0 336.347 3.002 20 30 EGEDRM Cc1csc(=Nc2ccccc2C#N)n1[C@H]1CCCN(C(=O)[O-])C1 ZINC000738814037 576362692 /nfs/dbraw/zinc/36/26/92/576362692.db2.gz LPHZRCWKDFRMHO-AWEZNQCLSA-N -1 0 342.424 3.277 20 30 EGEDRM Cc1nn(CCC(=O)[O-])c(C)c1CN=Nc1nccc2sccc21 ZINC000738923377 576369376 /nfs/dbraw/zinc/36/93/76/576369376.db2.gz UZEWQISVNOHCSQ-UHFFFAOYSA-N -1 0 343.412 3.030 20 30 EGEDRM Cc1oc(C(=O)[O-])cc1COC(=O)c1cc2ccccc2n1CC#N ZINC000738966152 576371154 /nfs/dbraw/zinc/37/11/54/576371154.db2.gz RHMDRDZOALDPDQ-UHFFFAOYSA-N -1 0 338.319 3.122 20 30 EGEDRM N#CCc1ccc(NC(=O)CNc2cc(Cl)cc(C(=O)[O-])c2)cc1 ZINC000739091605 576377452 /nfs/dbraw/zinc/37/74/52/576377452.db2.gz GWTVORPNLSHNLG-UHFFFAOYSA-N -1 0 343.770 3.155 20 30 EGEDRM N#CCSc1ccccc1C(=O)Oc1cccc(CC(=O)[O-])c1 ZINC000739091712 576377490 /nfs/dbraw/zinc/37/74/90/576377490.db2.gz KWJXNLAEABFBBE-UHFFFAOYSA-N -1 0 327.361 3.149 20 30 EGEDRM N#Cc1ccc([C@@H](OC(=O)C(F)(F)c2ccc(F)cc2)C(=O)[O-])cc1 ZINC000739111420 576378465 /nfs/dbraw/zinc/37/84/65/576378465.db2.gz VLGQVVDRJOHUHK-CQSZACIVSA-N -1 0 349.264 3.158 20 30 EGEDRM N#Cc1ccc([C@@H](OC(=O)C[C@H]2CCc3ccccc32)C(=O)[O-])cc1 ZINC000739110589 576378477 /nfs/dbraw/zinc/37/84/77/576378477.db2.gz RFCNQQGYPGKWEU-VQIMIIECSA-N -1 0 335.359 3.347 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)c2ccc3ccccc3n2)C(=O)[O-])cc1 ZINC000739115394 576378679 /nfs/dbraw/zinc/37/86/79/576378679.db2.gz QBUQULMYGVSBBU-KRWDZBQOSA-N -1 0 332.315 3.089 20 30 EGEDRM N#Cc1ccc(CNC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)c(F)c1 ZINC000739118787 576378993 /nfs/dbraw/zinc/37/89/93/576378993.db2.gz WRULANFDDJTZQH-UHFFFAOYSA-N -1 0 347.733 3.371 20 30 EGEDRM N#Cc1ccc(NC(=S)N2CCC3(C[C@H]3C(=O)[O-])CC2)cc1Cl ZINC000739120888 576379027 /nfs/dbraw/zinc/37/90/27/576379027.db2.gz FYYWRQWGIQJOAA-LBPRGKRZSA-N -1 0 349.843 3.095 20 30 EGEDRM N#Cc1ccc(CCC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000739119322 576379049 /nfs/dbraw/zinc/37/90/49/576379049.db2.gz ZDZVCVNTXBTZNR-UHFFFAOYSA-N -1 0 328.755 3.481 20 30 EGEDRM N#Cc1cccnc1NC[C@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000739141925 576379480 /nfs/dbraw/zinc/37/94/80/576379480.db2.gz DVVJSSQXJUZFTC-KRWDZBQOSA-N -1 0 331.375 3.462 20 30 EGEDRM N#Cc1ccccc1/C=C\C(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000739140232 576379550 /nfs/dbraw/zinc/37/95/50/576379550.db2.gz QIWHAQUYZYAMDC-JEZWAEDTSA-N -1 0 325.295 3.080 20 30 EGEDRM N#Cc1cccc(OCCCCC(=O)NC2(C(=O)[O-])CCCCC2)c1 ZINC000739140673 576379552 /nfs/dbraw/zinc/37/95/52/576379552.db2.gz XRYHFYOOSQQINM-UHFFFAOYSA-N -1 0 344.411 3.011 20 30 EGEDRM O=C([O-])CN1C/C(=C/c2ccccc2)C(=O)/C(=C\c2ccccc2)C1 ZINC000739799572 576506567 /nfs/dbraw/zinc/50/65/67/576506567.db2.gz VWVLUYUZWDBARY-ZAORYEFMSA-N -1 0 333.387 3.123 20 30 EGEDRM O=C([O-])COc1cccc(CN=Cc2cc3ccccc3[nH]c2=O)c1 ZINC000739830978 576508442 /nfs/dbraw/zinc/50/84/42/576508442.db2.gz HEFXEOXBZKHSKA-RGVLZGJSSA-N -1 0 336.347 3.023 20 30 EGEDRM C=CCCOC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000740191810 576563033 /nfs/dbraw/zinc/56/30/33/576563033.db2.gz ZWTZFLQBMTUPKB-UHFFFAOYSA-N -1 0 349.383 3.359 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cnc2ccsc2c1 ZINC000744022347 576818970 /nfs/dbraw/zinc/81/89/70/576818970.db2.gz MFGHCUYHLKNQOX-ZDUSSCGKSA-N -1 0 329.425 3.315 20 30 EGEDRM COc1cc(F)c(C(=O)/C=C\c2cccc(C(=O)[O-])c2)cc1OC ZINC000774135389 598201723 /nfs/dbraw/zinc/20/17/23/598201723.db2.gz JVQKZVVNAQUHIS-SREVYHEPSA-N -1 0 330.311 3.437 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Oc1ccc(Cl)cc1Br ZINC000819874072 598222046 /nfs/dbraw/zinc/22/20/46/598222046.db2.gz GVMQWPLHDGMCRZ-GFCCVEGCSA-N -1 0 346.564 3.012 20 30 EGEDRM CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC000820344135 598223746 /nfs/dbraw/zinc/22/37/46/598223746.db2.gz RLXZCZGXEVMJPU-OAHLLOKOSA-N -1 0 342.317 3.058 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000819856038 598225567 /nfs/dbraw/zinc/22/55/67/598225567.db2.gz FLRVVDUXBCORBB-LJQANCHMSA-N -1 0 349.346 3.294 20 30 EGEDRM C[C@@H](OC(=O)[C@@](C)(C#N)CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000820161441 598228160 /nfs/dbraw/zinc/22/81/60/598228160.db2.gz PCWWDBSZCMROKS-YMTOWFKASA-N -1 0 345.273 3.194 20 30 EGEDRM C[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1cccc(Cl)c1Cl ZINC000820114799 598228229 /nfs/dbraw/zinc/22/82/29/598228229.db2.gz PYTKFMDJBAJEQN-RMLUDKJBSA-N -1 0 329.183 3.175 20 30 EGEDRM N#CC(C(=O)CCCNC(=O)[O-])c1nc(-c2ccccc2)cs1 ZINC000739073960 599798833 /nfs/dbraw/zinc/79/88/33/599798833.db2.gz GEWCERKQDCUDLT-LBPRGKRZSA-N -1 0 329.381 3.034 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)Cc2c(F)cccc2Cl)C(=O)[O-])cc1 ZINC000739115021 600610463 /nfs/dbraw/zinc/61/04/63/600610463.db2.gz NAURTYKKGLTXQQ-INIZCTEOSA-N -1 0 347.729 3.262 20 30 EGEDRM C[C@H](Oc1ccccc1C#N)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000178257255 600619576 /nfs/dbraw/zinc/61/95/76/600619576.db2.gz VATZRTFEOXEORY-JTQLQIEISA-N -1 0 344.754 3.316 20 30 EGEDRM Cc1ccc(-c2nc(CN[C@H](C(=O)[O-])c3ccc(C#N)cc3)co2)cc1 ZINC000832908408 600695492 /nfs/dbraw/zinc/69/54/92/600695492.db2.gz JOXHUIIPSXKUNK-SFHVURJKSA-N -1 0 347.374 3.437 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)[C@@H]2C[C@@H]2C2CCCCC2)C(=O)[O-])cc1 ZINC000833071838 600697349 /nfs/dbraw/zinc/69/73/49/600697349.db2.gz JCQIAESGJQIJFZ-ZACQAIPSSA-N -1 0 327.380 3.444 20 30 EGEDRM N#Cc1ccc([C@@H](OC(=O)c2cccc(F)c2Cl)C(=O)[O-])cc1 ZINC000833072474 600733815 /nfs/dbraw/zinc/73/38/15/600733815.db2.gz MWTWXFNRYKHXIN-CQSZACIVSA-N -1 0 333.702 3.333 20 30 EGEDRM C=CCn1nnnc1S[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000825710976 600837127 /nfs/dbraw/zinc/83/71/27/600837127.db2.gz JQKANBKOVMKUGA-SNVBAGLBSA-N -1 0 345.211 3.084 20 30 EGEDRM C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000180118737 600913507 /nfs/dbraw/zinc/91/35/07/600913507.db2.gz JDCIISJSRLSMAC-CABCVRRESA-N -1 0 346.383 3.000 20 30 EGEDRM O=C([O-])COc1cccc(C(=O)OCC#Cc2ccc(Cl)cc2)c1 ZINC000833259205 601242413 /nfs/dbraw/zinc/24/24/13/601242413.db2.gz JAKLUHBGYFKJHE-UHFFFAOYSA-N -1 0 344.750 3.012 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1cc(OC)cs1 ZINC000825702347 601268300 /nfs/dbraw/zinc/26/83/00/601268300.db2.gz LLDSBKXTLSRIJL-UHFFFAOYSA-N -1 0 348.376 3.411 20 30 EGEDRM CCOC(=O)Nc1ccc(N[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000829865906 601300727 /nfs/dbraw/zinc/30/07/27/601300727.db2.gz LSWUOJXJNBFGRP-INIZCTEOSA-N -1 0 339.351 3.364 20 30 EGEDRM N#Cc1cccc([C@@H](Nc2ccc3c(c2)CCCC(=O)N3)C(=O)[O-])c1 ZINC000833075850 601304642 /nfs/dbraw/zinc/30/46/42/601304642.db2.gz NPKVPWAHPYQTGC-GOSISDBHSA-N -1 0 335.363 3.071 20 30 EGEDRM Cc1csc([C@H]2CCCN2[C@@H](C(=O)[O-])c2cccc(C#N)c2)n1 ZINC000832989083 601313256 /nfs/dbraw/zinc/31/32/56/601313256.db2.gz GYIBRGQXXDHKOX-HUUCEWRRSA-N -1 0 327.409 3.286 20 30 EGEDRM CCc1ccc(N2CCN([C@@H](C(=O)[O-])c3cccc(C#N)c3)CC2)cc1 ZINC000830253592 601321667 /nfs/dbraw/zinc/32/16/67/601321667.db2.gz HOEKRNJUARZEOP-HXUWFJFHSA-N -1 0 349.434 3.069 20 30 EGEDRM N#Cc1cccc([C@@H](OC(=O)c2cc3c(s2)CCCC3)C(=O)[O-])c1 ZINC000833076062 601343790 /nfs/dbraw/zinc/34/37/90/601343790.db2.gz HURRFILICNNGMG-MRXNPFEDSA-N -1 0 341.388 3.481 20 30 EGEDRM CCCc1ccc(N)c(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000829566112 601348968 /nfs/dbraw/zinc/34/89/68/601348968.db2.gz FGKMRXSVSKAZIV-QGZVFWFLSA-N -1 0 338.363 3.076 20 30 EGEDRM N#Cc1cccc([C@H](OC(=O)c2cc3occc3s2)C(=O)[O-])c1 ZINC000833075809 601354157 /nfs/dbraw/zinc/35/41/57/601354157.db2.gz FGBGNZXEMQTIQE-AWEZNQCLSA-N -1 0 327.317 3.349 20 30 EGEDRM C=CCNC(=O)c1ccccc1NCc1cc(C(=O)[O-])oc1CC ZINC000825687572 601389917 /nfs/dbraw/zinc/38/99/17/601389917.db2.gz QDZJRCMFWNJJCI-UHFFFAOYSA-N -1 0 328.368 3.068 20 30 EGEDRM C=CCOc1ccc(C(F)(F)F)cc1C(=O)OC/C=C(/C)C(=O)[O-] ZINC000825699054 601426926 /nfs/dbraw/zinc/42/69/26/601426926.db2.gz REUKKIAKYNSEFY-POHAHGRESA-N -1 0 344.285 3.458 20 30 EGEDRM N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(C(=O)[O-])s1 ZINC000833063853 601427091 /nfs/dbraw/zinc/42/70/91/601427091.db2.gz BNINNCBSRFHVKV-ZIAGYGMSSA-N -1 0 340.404 3.358 20 30 EGEDRM N#Cc1ccc([C@@H](OC(=O)C/C=C\c2ccc(F)cc2)C(=O)[O-])cc1 ZINC000833073112 601470842 /nfs/dbraw/zinc/47/08/42/601470842.db2.gz VTHQLBHDFREAKT-QFRLHKFZSA-N -1 0 339.322 3.470 20 30 EGEDRM C[C@H](CC#N)N(C)C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000827212943 601623522 /nfs/dbraw/zinc/62/35/22/601623522.db2.gz HJNIXOXSMXLZLZ-GFCCVEGCSA-N -1 0 335.429 3.160 20 30 EGEDRM N#Cc1cccc([C@H](NCc2cc([N+](=O)[O-])ccc2Cl)C(=O)[O-])c1 ZINC000833075233 601644490 /nfs/dbraw/zinc/64/44/90/601644490.db2.gz JDNMLLRUNRLEEN-HNNXBMFYSA-N -1 0 345.742 3.035 20 30 EGEDRM Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCCCC(=O)[O-])cc1 ZINC000832858295 601663472 /nfs/dbraw/zinc/66/34/72/601663472.db2.gz AWBKOOIXIXMWQY-UHFFFAOYSA-N -1 0 338.363 3.254 20 30 EGEDRM N#Cc1ccc(NC(=O)CSCc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000833072945 601814474 /nfs/dbraw/zinc/81/44/74/601814474.db2.gz APNNLXIOUDPEAW-UHFFFAOYSA-N -1 0 344.367 3.267 20 30 EGEDRM CCOC(=O)c1ccc(C#N)c(SCc2ccc(C(=O)[O-])s2)n1 ZINC000829878204 601893253 /nfs/dbraw/zinc/89/32/53/601893253.db2.gz NBZLXIZXMKYTSK-UHFFFAOYSA-N -1 0 348.405 3.182 20 30 EGEDRM C[C@@H](Oc1ccc(C=NNc2cc(F)c(F)c(F)c2)cc1)C(=O)[O-] ZINC000794914842 602075679 /nfs/dbraw/zinc/07/56/79/602075679.db2.gz NGOSIWJKLKUOMM-SECBINFHSA-N -1 0 338.285 3.402 20 30 EGEDRM COc1ccc(C(=O)/C=C/c2ccc(O[C@H](C)C(=O)[O-])cc2)cc1 ZINC000794692849 602105453 /nfs/dbraw/zinc/10/54/53/602105453.db2.gz YDKCPZNNAPBEMW-YQJFHSMKSA-N -1 0 326.348 3.443 20 30 EGEDRM O=C([O-])COc1ccc(NC(=O)C#Cc2ccccc2)c2ccccc12 ZINC000833254425 602258853 /nfs/dbraw/zinc/25/88/53/602258853.db2.gz MBSYREVDEPSLGO-UHFFFAOYSA-N -1 0 345.354 3.293 20 30 EGEDRM COc1cc(F)cc(NN=Cc2c[nH]c3ccc(C(=O)[O-])cc23)c1 ZINC000832011092 602312457 /nfs/dbraw/zinc/31/24/57/602312457.db2.gz QTFZCPYFJPEFBQ-UHFFFAOYSA-N -1 0 327.315 3.460 20 30 EGEDRM Cc1ccc(C)c(N2CCN([C@@H](C(=O)[O-])c3cccc(C#N)c3)CC2)c1 ZINC000832925913 604505977 /nfs/dbraw/zinc/50/59/77/604505977.db2.gz IZMGJCRTUKHCLX-HXUWFJFHSA-N -1 0 349.434 3.123 20 30 EGEDRM CC(C)CNc1nnc(SCc2cccc(C(=O)[O-])c2C#N)s1 ZINC000833487987 604550979 /nfs/dbraw/zinc/55/09/79/604550979.db2.gz DSZPBDSAWALNMW-UHFFFAOYSA-N -1 0 348.453 3.468 20 30 EGEDRM CC(C)Oc1ccc(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1C#N ZINC000827054111 604555060 /nfs/dbraw/zinc/55/50/60/604555060.db2.gz AZQQPELJDCAUQI-OLZOCXBDSA-N -1 0 330.384 3.175 20 30 EGEDRM C[C@H](OC1CCCCCC1)C(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC000833536654 604584422 /nfs/dbraw/zinc/58/44/22/604584422.db2.gz SPZTUCMYOUHADX-ZDUSSCGKSA-N -1 0 345.395 3.428 20 30 EGEDRM CC(C)(C)OC(=O)C1(NCc2cccc(C(=O)[O-])c2C#N)CCCC1 ZINC000833430807 604614888 /nfs/dbraw/zinc/61/48/88/604614888.db2.gz IPTBQQDRBFSKMR-UHFFFAOYSA-N -1 0 344.411 3.001 20 30 EGEDRM COc1ccc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000832282574 604627160 /nfs/dbraw/zinc/62/71/60/604627160.db2.gz VLTATPCDMMCNTC-KRXBUXKQSA-N -1 0 327.292 3.198 20 30 EGEDRM N#Cc1c(F)cccc1N(CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000833068908 604627709 /nfs/dbraw/zinc/62/77/09/604627709.db2.gz GZWRPJKKMFKKNH-UHFFFAOYSA-N -1 0 334.297 3.457 20 30 EGEDRM N#Cc1c(F)cccc1N1CCC(Nc2cccc(C(=O)[O-])c2)CC1 ZINC000833069001 604638767 /nfs/dbraw/zinc/63/87/67/604638767.db2.gz KAMSMZLIAMSFTJ-UHFFFAOYSA-N -1 0 339.370 3.476 20 30 EGEDRM CC(N=Nc1ccc(C(=O)[O-])cn1)c1nc2cc(Cl)ccc2n1C ZINC000763367830 604665830 /nfs/dbraw/zinc/66/58/30/604665830.db2.gz IBUCYSQTVXVMIV-UHFFFAOYSA-N -1 0 343.774 3.156 20 30 EGEDRM C=C(C)[C@H](CC(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1)OCC ZINC000833367520 604870191 /nfs/dbraw/zinc/87/01/91/604870191.db2.gz NCYKSXGNLLSJIM-ZFWWWQNUSA-N -1 0 343.782 3.092 20 30 EGEDRM C#CCOc1cccc([C@H](C)OC(=O)c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000825631786 604882661 /nfs/dbraw/zinc/88/26/61/604882661.db2.gz MFLOIJVZDMTCDK-LBPRGKRZSA-N -1 0 342.322 3.454 20 30 EGEDRM C=CCN(C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1)C(C)C ZINC000825675797 604907232 /nfs/dbraw/zinc/90/72/32/604907232.db2.gz GPPMHGQOWNYQNM-UHFFFAOYSA-N -1 0 326.780 3.232 20 30 EGEDRM C=CC[C@@H](NC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1)c1ccncc1 ZINC000833371252 604984354 /nfs/dbraw/zinc/98/43/54/604984354.db2.gz RFAGRXLVTARVCN-HZPDHXFCSA-N -1 0 345.443 3.231 20 30 EGEDRM C[C@@H](Oc1ccc(/C=C\C(=O)c2ccc(C#N)s2)cc1)C(=O)[O-] ZINC000794703725 605000223 /nfs/dbraw/zinc/00/02/23/605000223.db2.gz VFVZYKBLLJADPW-LAUIRUGDSA-N -1 0 327.361 3.368 20 30 EGEDRM C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC000833375934 605013843 /nfs/dbraw/zinc/01/38/43/605013843.db2.gz JSQKDNCZQUDNHG-UHFFFAOYSA-N -1 0 331.393 3.075 20 30 EGEDRM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(C#N)[nH]2)cc1 ZINC000833450314 605068869 /nfs/dbraw/zinc/06/88/69/605068869.db2.gz OFWCMBYYWJSYMZ-INIZCTEOSA-N -1 0 339.395 3.130 20 30 EGEDRM COc1cc(NCc2cccc(C#N)c2F)c(C(=O)[O-])cc1OC ZINC000833730156 605122137 /nfs/dbraw/zinc/12/21/37/605122137.db2.gz YMZNOULFJLUMIQ-UHFFFAOYSA-N -1 0 330.315 3.025 20 30 EGEDRM CC(C)(C)C[C@@H](OC(=O)c1cc2ccccc2n1CC#N)C(=O)[O-] ZINC000833429248 605236524 /nfs/dbraw/zinc/23/65/24/605236524.db2.gz IHXQTBIMXKEDMD-OAHLLOKOSA-N -1 0 328.368 3.211 20 30 EGEDRM C[C@]1(C#N)CCCN([C@@H](C(=O)[O-])c2cccc(Br)c2)C1 ZINC000833551048 605416154 /nfs/dbraw/zinc/41/61/54/605416154.db2.gz GCXLZPZETSQZOO-UKRRQHHQSA-N -1 0 337.217 3.200 20 30 EGEDRM CC(=O)N1Cc2ccccc2C(=O)/C(=C/c2ccc(C(=O)[O-])cc2)C1 ZINC000778519679 605416857 /nfs/dbraw/zinc/41/68/57/605416857.db2.gz KAKXYRXFGRUKNC-LICLKQGHSA-N -1 0 335.359 3.013 20 30 EGEDRM Cc1ccc(C[C@@H](C)C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000833748436 605460133 /nfs/dbraw/zinc/46/01/33/605460133.db2.gz MZXXHYAGANHNNC-RDTXWAMCSA-N -1 0 337.375 3.414 20 30 EGEDRM Cc1cc(/C=C/C(=O)c2cccc(OCC(=O)[O-])c2)cc(C)c1O ZINC000008322927 1291102306 /nfs/dbraw/zinc/10/23/06/1291102306.db2.gz PFQQLJMFIJDHKN-VOTSOKGWSA-N -1 0 326.348 3.369 20 30 EGEDRM CCOc1ccc(S(=O)(=O)[N-]C(=O)Cc2ccc(F)cc2)cc1 ZINC000042247700 1291438080 /nfs/dbraw/zinc/43/80/80/1291438080.db2.gz HVESFGVFUXPSMG-UHFFFAOYSA-N -1 0 337.372 3.112 20 30 EGEDRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)CCc1c[nH]c2ccccc12 ZINC000042289794 1291439587 /nfs/dbraw/zinc/43/95/87/1291439587.db2.gz WGJCRAOFPALMSG-UHFFFAOYSA-N -1 0 347.396 3.051 20 30 EGEDRM N#CCOc1cccc(NC(=O)c2ccc(Br)cc2[O-])c1 ZINC000044483900 1291487900 /nfs/dbraw/zinc/48/79/00/1291487900.db2.gz DDROOXQZUGDMLI-UHFFFAOYSA-N -1 0 347.168 3.309 20 30 EGEDRM C[C@H](CC(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000046927767 1291556252 /nfs/dbraw/zinc/55/62/52/1291556252.db2.gz UTJBUBPQHYODLP-GFCCVEGCSA-N -1 0 348.380 3.434 20 30 EGEDRM Cc1cc2ccccc2n1CC(=O)[N-]S(=O)(=O)c1ccccc1 ZINC000048405338 1291603253 /nfs/dbraw/zinc/60/32/53/1291603253.db2.gz GLOBYQQGTLDQGB-UHFFFAOYSA-N -1 0 328.393 3.295 20 30 EGEDRM O=C(C[C@@H]1C=CCC1)[N-]S(=O)(=O)c1ccccc1Br ZINC000048519593 1291608778 /nfs/dbraw/zinc/60/87/78/1291608778.db2.gz IOAVACDMGJVJJK-SNVBAGLBSA-N -1 0 344.230 3.451 20 30 EGEDRM CCOc1ccccc1C(=O)[N-]S(=O)(=O)C=Cc1ccccc1 ZINC000048529448 1291609971 /nfs/dbraw/zinc/60/99/71/1291609971.db2.gz JTIQBAQFAHMOIP-OUKQBFOZSA-N -1 0 331.393 3.391 20 30 EGEDRM CCCCS(=O)(=O)[N-]C(=O)c1csc(Cc2ccccc2)n1 ZINC000048556040 1291611048 /nfs/dbraw/zinc/61/10/48/1291611048.db2.gz PZUHEGROSBRLQB-UHFFFAOYSA-N -1 0 338.454 3.168 20 30 EGEDRM Cc1cccc(OCC(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCC3)c1 ZINC000048612226 1291613642 /nfs/dbraw/zinc/61/36/42/1291613642.db2.gz RQBWRPLZWDQKSP-UHFFFAOYSA-N -1 0 345.420 3.208 20 30 EGEDRM CCOc1ccc(S(=O)(=O)[N-]C(=O)CCc2cccs2)cc1 ZINC000069525112 1292244038 /nfs/dbraw/zinc/24/40/38/1292244038.db2.gz YXKNJIIAWSGWRI-UHFFFAOYSA-N -1 0 339.438 3.425 20 30 EGEDRM COc1cccc2cc(C(=O)[N-]S(=O)(=O)c3ccc(C)cc3)oc21 ZINC000069522466 1292244758 /nfs/dbraw/zinc/24/47/58/1292244758.db2.gz UBQJTBAZSPMDRH-UHFFFAOYSA-N -1 0 345.376 3.443 20 30 EGEDRM C[C@H]1CC[C@H](CCC(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2)O1 ZINC000076755786 1292440494 /nfs/dbraw/zinc/44/04/94/1292440494.db2.gz XFCZSSMLUNUMAL-CMPLNLGQSA-N -1 0 331.821 3.333 20 30 EGEDRM C[C@H](C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1)c1cccc(F)c1 ZINC000076759044 1292441141 /nfs/dbraw/zinc/44/11/41/1292441141.db2.gz MXGXMBGCIYJOOF-NSHDSACASA-N -1 0 332.356 3.146 20 30 EGEDRM COc1cccc(C(=O)[N-]S(=O)(=O)Cc2ccccc2Cl)c1 ZINC000083791821 1292690734 /nfs/dbraw/zinc/69/07/34/1292690734.db2.gz GHGWKCSJCUPHCN-UHFFFAOYSA-N -1 0 339.800 3.183 20 30 EGEDRM C[C@H](Oc1ccc(F)cc1Cl)C(=O)[N-]S(=O)(=O)C1CCCC1 ZINC000086055480 1292728490 /nfs/dbraw/zinc/72/84/90/1292728490.db2.gz VKYXHXLRINTRFF-VIFPVBQESA-N -1 0 349.811 3.475 20 30 EGEDRM O=C(C=C1CCC1)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000088799606 1292756506 /nfs/dbraw/zinc/75/65/06/1292756506.db2.gz ISLFPTLTUVHLNZ-UHFFFAOYSA-N -1 0 330.749 3.004 20 30 EGEDRM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])c1cscn1 ZINC000103330088 1293001925 /nfs/dbraw/zinc/00/19/25/1293001925.db2.gz OENIPLHTDBYVOH-VIFPVBQESA-N -1 0 349.799 3.075 20 30 EGEDRM CCCCCCCCC(=O)[N-]S(=O)(=O)c1ccc(Cl)cn1 ZINC000112157998 1293119271 /nfs/dbraw/zinc/11/92/71/1293119271.db2.gz WPFYVPGSVURKMV-UHFFFAOYSA-N -1 0 332.853 3.291 20 30 EGEDRM CCOC(=O)C[C@H]1CCCCC1N=Nc1ccc(C(=O)[O-])c(F)c1 ZINC000835008311 1293186756 /nfs/dbraw/zinc/18/67/56/1293186756.db2.gz FGXGJKHQPPBEKD-LLVKDONJSA-N -1 0 336.363 3.435 20 30 EGEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1cc(F)cc(C(F)(F)F)c1 ZINC000120156237 1293308351 /nfs/dbraw/zinc/30/83/51/1293308351.db2.gz ONZOJMWJLPKMAQ-ZDUSSCGKSA-N -1 0 342.292 3.226 20 30 EGEDRM C=CCC1(C(=O)[N-]S(=O)(=O)[C@@H]2CCCc3ccccc32)CCC1 ZINC000835588570 1293324358 /nfs/dbraw/zinc/32/43/58/1293324358.db2.gz AGFKCMXYBMQPFV-MRXNPFEDSA-N -1 0 333.453 3.256 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2csc(-c3ccccn3)n2)n1 ZINC000120713732 1293334805 /nfs/dbraw/zinc/33/48/05/1293334805.db2.gz ZCVVOUWBSKIEQB-SNVBAGLBSA-N -1 0 326.406 3.460 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2OCC#N)c(C)c1 ZINC000122366021 1293409693 /nfs/dbraw/zinc/40/96/93/1293409693.db2.gz AEQLTAKUCKLAKO-UHFFFAOYSA-N -1 0 334.372 3.146 20 30 EGEDRM CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccc(F)cc2[O-])c1 ZINC000123801926 1293455784 /nfs/dbraw/zinc/45/57/84/1293455784.db2.gz UALSEDFYTGKIRH-AWEZNQCLSA-N -1 0 328.343 3.142 20 30 EGEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1cc2c(s1)CCCCCC2 ZINC000124500052 1293477471 /nfs/dbraw/zinc/47/74/71/1293477471.db2.gz UCSPBCNMONBVIM-CQSZACIVSA-N -1 0 330.453 3.352 20 30 EGEDRM Cc1ccc(Cl)cc1C([O-])=C(C#N)C(=O)NCc1ccccc1 ZINC000126080092 1293524716 /nfs/dbraw/zinc/52/47/16/1293524716.db2.gz GBBKYAODOYYTPZ-INIZCTEOSA-N -1 0 326.783 3.287 20 30 EGEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1ccc(-n2cccc2)cc1 ZINC000127311810 1293559592 /nfs/dbraw/zinc/55/95/92/1293559592.db2.gz HHORUTGQNKWBRE-GOSISDBHSA-N -1 0 335.407 3.249 20 30 EGEDRM COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1ccco1 ZINC000128280364 1293588415 /nfs/dbraw/zinc/58/84/15/1293588415.db2.gz AFXUNALTRXABDU-SNVBAGLBSA-N -1 0 332.743 3.211 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)C(=O)NC2CC2)c(C)n1-c1cccc(C)c1 ZINC000129117510 1293614344 /nfs/dbraw/zinc/61/43/44/1293614344.db2.gz FSTZDVVWTUUSCR-SFHVURJKSA-N -1 0 335.407 3.004 20 30 EGEDRM CCCCCCOc1ccc(C([O-])=C(C#N)C(=O)NC2CC2)cc1 ZINC000129369841 1293622163 /nfs/dbraw/zinc/62/21/63/1293622163.db2.gz SBSGBPUBZRGOHA-KRWDZBQOSA-N -1 0 328.412 3.247 20 30 EGEDRM C=CCC(CC=C)C(=O)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000151100397 1293908097 /nfs/dbraw/zinc/90/80/97/1293908097.db2.gz DATLREVLFZYINX-UHFFFAOYSA-N -1 0 347.358 3.279 20 30 EGEDRM C=CCC(CC=C)C(=O)[N-]S(=O)(=O)c1c(C)cccc1Cl ZINC000153511909 1294017361 /nfs/dbraw/zinc/01/73/61/1294017361.db2.gz FQHPHMQFARBKIP-UHFFFAOYSA-N -1 0 327.833 3.222 20 30 EGEDRM COc1cc(/C=C/C(=O)c2cc(F)ccc2[O-])ccc1OCC#N ZINC000156669893 1294154073 /nfs/dbraw/zinc/15/40/73/1294154073.db2.gz SYJVQLNHQJGCRW-GORDUTHDSA-N -1 0 327.311 3.338 20 30 EGEDRM CC(C)(C)Oc1ccc(C([O-])=C(C#N)C(=O)NC2CCCC2)cc1 ZINC000176022088 1294584879 /nfs/dbraw/zinc/58/48/79/1294584879.db2.gz PFLMSQIKIJKYGL-INIZCTEOSA-N -1 0 328.412 3.245 20 30 EGEDRM O=C([N-]Cc1ccccc1OCC(F)(F)F)C(F)(F)C(F)F ZINC000176106153 1294590545 /nfs/dbraw/zinc/59/05/45/1294590545.db2.gz JYYILZFMSCIYSJ-UHFFFAOYSA-N -1 0 333.203 3.144 20 30 EGEDRM Cc1cc(C(=O)Nc2cc(C#N)ccc2[O-])c(C)n1Cc1ccccn1 ZINC000176404031 1294603200 /nfs/dbraw/zinc/60/32/00/1294603200.db2.gz QVMDMMAZDDLZRI-UHFFFAOYSA-N -1 0 346.390 3.378 20 30 EGEDRM CSc1nc(C2CC2)nc(C)c1C(=O)Nc1cc(C#N)ccc1[O-] ZINC000179736274 1294819954 /nfs/dbraw/zinc/81/99/54/1294819954.db2.gz VAJSJHRZHJZATR-UHFFFAOYSA-N -1 0 340.408 3.214 20 30 EGEDRM COc1ccc(S(=O)(=O)[N-]c2ccccc2O[C@@H](C)C#N)cc1C ZINC000183134135 1295101425 /nfs/dbraw/zinc/10/14/25/1295101425.db2.gz ALDVUZCMJLUGBJ-ZDUSSCGKSA-N -1 0 346.408 3.095 20 30 EGEDRM C[C@@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000183136309 1295101623 /nfs/dbraw/zinc/10/16/23/1295101623.db2.gz MQFDDTLUHLQFDN-JTQLQIEISA-N -1 0 338.335 3.056 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2c(C(F)F)nc3n2CCCC3)n1 ZINC000870116362 1295664638 /nfs/dbraw/zinc/66/46/38/1295664638.db2.gz DRVBANYKABOIET-VIFPVBQESA-N -1 0 336.367 3.412 20 30 EGEDRM C=CCC1(C(=O)[N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)CCC1 ZINC000192186835 1295742078 /nfs/dbraw/zinc/74/20/78/1295742078.db2.gz LALFDFVERZWCDU-UHFFFAOYSA-N -1 0 347.358 3.257 20 30 EGEDRM O=C(/C=C/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc([O-])c(F)c1 ZINC000193046806 1295830902 /nfs/dbraw/zinc/83/09/02/1295830902.db2.gz QXJVEYZIWQFXLE-GORDUTHDSA-N -1 0 332.243 3.244 20 30 EGEDRM COc1cc(/C=C\C(=O)c2ccc(C(=O)[O-])s2)cc(OC)c1OC ZINC000213227001 1296110649 /nfs/dbraw/zinc/11/06/49/1296110649.db2.gz LQFNIUQHDODTNP-PLNGDYQASA-N -1 0 348.376 3.368 20 30 EGEDRM Cc1ccc2ncc(/C=C\C(=O)c3cccc(OCC(=O)[O-])c3)n2c1 ZINC000255637525 1296557036 /nfs/dbraw/zinc/55/70/36/1296557036.db2.gz LPPCBORBPMTERQ-SREVYHEPSA-N -1 0 336.347 3.002 20 30 EGEDRM COC(=O)[C@@H](C)Oc1ccc(/C=C\C(=O)c2ccc([O-])c(F)c2)cc1 ZINC000255716848 1296563274 /nfs/dbraw/zinc/56/32/74/1296563274.db2.gz IBEJOZHNKGTEOZ-DJTUGOFGSA-N -1 0 344.338 3.368 20 30 EGEDRM COC(=O)CCc1ccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000255714606 1296563519 /nfs/dbraw/zinc/56/35/19/1296563519.db2.gz YKKRXUPYPXMANG-UHFFFAOYSA-N -1 0 328.324 3.157 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])c(/C=N\Cc2ccccc2Cn2cccn2)c1 ZINC000255910675 1296579051 /nfs/dbraw/zinc/57/90/51/1296579051.db2.gz VASYPLIFRJSXMX-UNOMPAQXSA-N -1 0 336.351 3.164 20 30 EGEDRM C=CCC[C@H](NC(=O)c1cc(C)n(Cc2ccccc2)c1C)C(=O)[O-] ZINC000262919189 1296653258 /nfs/dbraw/zinc/65/32/58/1296653258.db2.gz NVLGWVKMOJAFFH-SFHVURJKSA-N -1 0 340.423 3.302 20 30 EGEDRM C=CCC[C@H](NC(=O)c1sc(-c2ccc(C)o2)nc1C)C(=O)[O-] ZINC000263014413 1296657186 /nfs/dbraw/zinc/65/71/86/1296657186.db2.gz XLIAZBAIFZMBHL-NSHDSACASA-N -1 0 334.397 3.169 20 30 EGEDRM CCCC[C@@H](Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)C(=O)[O-] ZINC000263556935 1296688970 /nfs/dbraw/zinc/68/89/70/1296688970.db2.gz OYLOMDAJVLUXKH-CQSZACIVSA-N -1 0 328.328 3.070 20 30 EGEDRM CC(C)(SCC(=O)[O-])C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000872850430 1297140021 /nfs/dbraw/zinc/14/00/21/1297140021.db2.gz TVSYNGSLZILJPS-UHFFFAOYSA-N -1 0 346.330 3.112 20 30 EGEDRM N#CCOc1cccc([N-]S(=O)(=O)c2cc(F)ccc2Cl)c1 ZINC000318219455 1297147751 /nfs/dbraw/zinc/14/77/51/1297147751.db2.gz HVJJNLVXUKXXRS-UHFFFAOYSA-N -1 0 340.763 3.182 20 30 EGEDRM Cc1cc(Cl)cc([N-]S(=O)(=O)c2ccc(CC#N)cc2)c1O ZINC000387750603 1297598880 /nfs/dbraw/zinc/59/88/80/1297598880.db2.gz AEYGKCCWWRPUPT-UHFFFAOYSA-N -1 0 336.800 3.221 20 30 EGEDRM CC(C)N(CCC#N)C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-] ZINC000874262546 1297842850 /nfs/dbraw/zinc/84/28/50/1297842850.db2.gz DNEVKKKSFYIRJW-UHFFFAOYSA-N -1 0 326.352 3.229 20 30 EGEDRM COC(=O)[C@@H](C)Cc1ccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000588451444 1298067344 /nfs/dbraw/zinc/06/73/44/1298067344.db2.gz RMWWMMWVWAXWGH-LBPRGKRZSA-N -1 0 342.351 3.403 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)/C=C(/C)c1cccc(C(F)(F)F)c1 ZINC000588592731 1298088689 /nfs/dbraw/zinc/08/86/89/1298088689.db2.gz OAOWAEMXBHQPFN-FLIBITNWSA-N -1 0 327.302 3.208 20 30 EGEDRM COc1cccc2c1CC/C(=C\c1cccc(OCC(=O)[O-])c1)C2=O ZINC000588618525 1298093542 /nfs/dbraw/zinc/09/35/42/1298093542.db2.gz XQFORQDGLHMHSV-GXDHUFHOSA-N -1 0 338.359 3.371 20 30 EGEDRM Cc1nn(C)cc1/C=C\C(=O)c1cc(C(=O)[O-])ccc1OC(C)C ZINC000606445353 1298096766 /nfs/dbraw/zinc/09/67/66/1298096766.db2.gz LLKKAGBIYTYOMJ-ALCCZGGFSA-N -1 0 328.368 3.110 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)cn1 ZINC000690540008 1298129663 /nfs/dbraw/zinc/12/96/63/1298129663.db2.gz YXIIGDCLRYTNGG-UHFFFAOYSA-N -1 0 328.180 3.061 20 30 EGEDRM C=CCOc1cccc(C=Nn2c(=O)c3ccccc3[n-]c2=S)c1 ZINC000725858959 1298378775 /nfs/dbraw/zinc/37/87/75/1298378775.db2.gz IZJGOGVMDIYDMB-UHFFFAOYSA-N -1 0 337.404 3.132 20 30 EGEDRM CCc1nc2ccccc2n1N=Cc1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000746681416 1298640331 /nfs/dbraw/zinc/64/03/31/1298640331.db2.gz BWIFWISXRZNBBQ-ZDUSSCGKSA-N -1 0 337.379 3.333 20 30 EGEDRM Cc1nnc(NN=Cc2ccc(-c3cccc(F)c3)s2)[n-]c1=O ZINC000750921306 1299477489 /nfs/dbraw/zinc/47/74/89/1299477489.db2.gz GQUAMHLCFQTPJY-UHFFFAOYSA-N -1 0 329.360 3.199 20 30 EGEDRM COc1ccc(/C=C/C(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1[N+](=O)[O-] ZINC000759089055 1301013145 /nfs/dbraw/zinc/01/31/45/1301013145.db2.gz FEZRXJLYTVTLET-GORDUTHDSA-N -1 0 344.279 3.113 20 30 EGEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)C[C@@H]1C=CCC1 ZINC000759233877 1301046513 /nfs/dbraw/zinc/04/65/13/1301046513.db2.gz BXEHUOUVYHIAJF-KGLIPLIRSA-N -1 0 342.395 3.056 20 30 EGEDRM COc1cccc2c1C/C(=C/c1cccc(OCCC(=O)[O-])c1)C2=O ZINC000759667547 1301139107 /nfs/dbraw/zinc/13/91/07/1301139107.db2.gz YDWBUKIGILSODZ-UVTDQMKNSA-N -1 0 338.359 3.371 20 30 EGEDRM O=C([O-])COc1cccc(C(=O)/C=C/c2cccc(-n3cccn3)c2)c1 ZINC000760264068 1301241617 /nfs/dbraw/zinc/24/16/17/1301241617.db2.gz PMHGCCDQVFLXKJ-CMDGGOBGSA-N -1 0 348.358 3.232 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2c(Cl)oc3ccccc32)C(=O)O1 ZINC000761199515 1301418778 /nfs/dbraw/zinc/41/87/78/1301418778.db2.gz FUQLLTISYIVNLV-LQYUOIDQSA-N -1 0 330.723 3.314 20 30 EGEDRM O=C([O-])CCOc1cccc(C=NNCc2cnc3ccccc3c2)c1 ZINC000764777501 1302133994 /nfs/dbraw/zinc/13/39/94/1302133994.db2.gz CQHDISLPSZMLRB-UHFFFAOYSA-N -1 0 349.390 3.212 20 30 EGEDRM COC(=O)c1cc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)oc1C ZINC000767031911 1302568278 /nfs/dbraw/zinc/56/82/78/1302568278.db2.gz ZGUNDDTYDWYMPJ-UHFFFAOYSA-N -1 0 336.731 3.172 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)C2CCC(C)(C)CC2)n1 ZINC000768689279 1302961037 /nfs/dbraw/zinc/96/10/37/1302961037.db2.gz FPKUOLXJXKHUTF-CYBMUJFWSA-N -1 0 334.441 3.387 20 30 EGEDRM CC(C[C@@H](C)NC(=O)OC(C)(C)C)N=Nc1ccc(C(=O)[O-])cc1 ZINC000769565960 1303141965 /nfs/dbraw/zinc/14/19/65/1303141965.db2.gz AVUJQQICBHJDHS-LLVKDONJSA-N -1 0 335.404 3.476 20 30 EGEDRM C=CCCCC[N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000770274323 1303243873 /nfs/dbraw/zinc/24/38/73/1303243873.db2.gz HHDBMHYQBYWREY-UHFFFAOYSA-N -1 0 329.290 3.017 20 30 EGEDRM [O-]c1c(Cl)cc(Cl)cc1/C=N\[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000770568842 1303286384 /nfs/dbraw/zinc/28/63/84/1303286384.db2.gz PRHOEIJXVMNCML-FUWGRDIJSA-N -1 0 330.211 3.456 20 30 EGEDRM CC(=NNC(=S)Nc1cc(C)ccc1C)c1ccc(C(=O)[O-])o1 ZINC000772995020 1303603832 /nfs/dbraw/zinc/60/38/32/1303603832.db2.gz BKMDSQRZXSTHJA-UHFFFAOYSA-N -1 0 331.397 3.305 20 30 EGEDRM CN1C(=O)CCc2cc(/C=C\C(=O)c3ccc(CC(=O)[O-])cc3)ccc21 ZINC000774117701 1303775970 /nfs/dbraw/zinc/77/59/70/1303775970.db2.gz GMSPKTOKIHIJIQ-YHYXMXQVSA-N -1 0 349.386 3.119 20 30 EGEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1nc(C)c(C)s1)c1ccccc1 ZINC000774259984 1303791738 /nfs/dbraw/zinc/79/17/38/1303791738.db2.gz LVHXPFSGOQRJIR-HUUCEWRRSA-N -1 0 341.436 3.350 20 30 EGEDRM CCO[C@@H]1CC(N=Nc2ccccc2C(=O)[O-])[C@H]1Oc1ccccc1 ZINC000774349914 1303801237 /nfs/dbraw/zinc/80/12/37/1303801237.db2.gz MWLDLEHGKXIRFL-QZTJIDSGSA-N -1 0 340.379 3.409 20 30 EGEDRM Cc1nc(C2CCCCC2)sc1C([O-])=C(C#N)C(=O)NC1CC1 ZINC000775228081 1303927443 /nfs/dbraw/zinc/92/74/43/1303927443.db2.gz SJFJBXIUZZCFHA-CYBMUJFWSA-N -1 0 331.441 3.100 20 30 EGEDRM C#CCOc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)cc1 ZINC000775279060 1303932791 /nfs/dbraw/zinc/93/27/91/1303932791.db2.gz RULORKBDFGZDDS-UHFFFAOYSA-N -1 0 346.795 3.024 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)N(C)Cc2c(C)cccc2C)cc1C#N ZINC000887962174 1303993344 /nfs/dbraw/zinc/99/33/44/1303993344.db2.gz UVDYDPWNRODRDR-UHFFFAOYSA-N -1 0 341.436 3.270 20 30 EGEDRM CC(C)(C#N)CS(=O)(=O)[N-]C(=O)c1ccc(C2CCCCC2)cc1 ZINC000776142192 1304101846 /nfs/dbraw/zinc/10/18/46/1304101846.db2.gz JFMHTIGUIQCPQX-UHFFFAOYSA-N -1 0 348.468 3.344 20 30 EGEDRM CS(=O)(=O)c1cccc(NN=Cc2cc(Cl)cc(F)c2[O-])c1 ZINC000776262547 1304123542 /nfs/dbraw/zinc/12/35/42/1304123542.db2.gz IMCUHLAREAWBJI-UHFFFAOYSA-N -1 0 342.779 3.034 20 30 EGEDRM O=C(/C=C/c1ccc([N+](=O)[O-])cc1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000777918648 1304366553 /nfs/dbraw/zinc/36/65/53/1304366553.db2.gz CVHJVLJXPFOYLD-GORDUTHDSA-N -1 0 332.243 3.244 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(C)nc(Cl)c2)n1 ZINC000778617825 1304474911 /nfs/dbraw/zinc/47/49/11/1304474911.db2.gz KKJSUMGSLJLRJM-JTQLQIEISA-N -1 0 349.799 3.167 20 30 EGEDRM C=CC[C@H](C(=O)[N-]S(=O)(=O)Cc1cccc(F)c1)c1ccccc1 ZINC000778726656 1304482214 /nfs/dbraw/zinc/48/22/14/1304482214.db2.gz QYPJCYQJTLQGDN-KRWDZBQOSA-N -1 0 347.411 3.132 20 30 EGEDRM CCCCC[C@@H](C)CC(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC000779322042 1304555747 /nfs/dbraw/zinc/55/57/47/1304555747.db2.gz ZBYRMDQKIMNLQC-CQSZACIVSA-N -1 0 328.478 3.123 20 30 EGEDRM C#CCCCCCC(=O)[N-]S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000780451433 1304694627 /nfs/dbraw/zinc/69/46/27/1304694627.db2.gz HUONAMXAMZDTEU-UHFFFAOYSA-N -1 0 341.498 3.434 20 30 EGEDRM C=CCN(CC(=O)OCC)C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000781348121 1304816479 /nfs/dbraw/zinc/81/64/79/1304816479.db2.gz BQCIWPZHDYJZFQ-UHFFFAOYSA-N -1 0 347.798 3.390 20 30 EGEDRM COc1cc(C(=O)/C=C\c2cc(C(=O)[O-])cs2)c(OC)cc1O ZINC000782206222 1304931379 /nfs/dbraw/zinc/93/13/79/1304931379.db2.gz IWZOFJHPESYAQS-ARJAWSKDSA-N -1 0 334.349 3.065 20 30 EGEDRM C=Cc1ccc(C(=O)OCC([O-])=C(C#N)c2nc(C)cs2)cc1 ZINC000785625215 1305397361 /nfs/dbraw/zinc/39/73/61/1305397361.db2.gz LVZXOODQBHGPOA-CQSZACIVSA-N -1 0 326.377 3.128 20 30 EGEDRM Cc1nnc(NN=Cc2c(Cl)cccc2SC(C)C)[n-]c1=O ZINC000786037094 1305498061 /nfs/dbraw/zinc/49/80/61/1305498061.db2.gz DUTWWQUNZBGWNK-UHFFFAOYSA-N -1 0 337.836 3.486 20 30 EGEDRM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc(C4CC4)nc3C)nc1-2 ZINC000892741265 1305532768 /nfs/dbraw/zinc/53/27/68/1305532768.db2.gz RPHWIORFMHZQRD-AWEZNQCLSA-N -1 0 331.379 3.337 20 30 EGEDRM CSc1ccc(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)cc1 ZINC000786537983 1305592649 /nfs/dbraw/zinc/59/26/49/1305592649.db2.gz CSFMCFRSMSNODZ-QGZVFWFLSA-N -1 0 338.432 3.356 20 30 EGEDRM Cc1cc(F)ccc1C([O-])=C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786545259 1305594067 /nfs/dbraw/zinc/59/40/67/1305594067.db2.gz ATIHJTNHWSSAGC-MRXNPFEDSA-N -1 0 344.773 3.426 20 30 EGEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2ccc(Cl)c(F)c2)c1 ZINC000786552672 1305596262 /nfs/dbraw/zinc/59/62/62/1305596262.db2.gz OWGUGQLPWWYYAC-AWEZNQCLSA-N -1 0 344.773 3.426 20 30 EGEDRM Cc1ccc(C([O-])=C(C#N)C(=O)NCc2ccc(F)cc2F)cc1C ZINC000786555981 1305598166 /nfs/dbraw/zinc/59/81/66/1305598166.db2.gz YQXRUUFDITVTND-INIZCTEOSA-N -1 0 342.345 3.221 20 30 EGEDRM N#CC(C(=O)NCc1ccc(F)c(F)c1)=C([O-])c1ccc(Cl)cc1 ZINC000786565484 1305599606 /nfs/dbraw/zinc/59/96/06/1305599606.db2.gz RNHYGXUSZKPNSA-CYBMUJFWSA-N -1 0 348.736 3.257 20 30 EGEDRM O=C([O-])C(F)(F)Oc1ccc(/C=C/C(=O)c2cncs2)cc1 ZINC000787172801 1305699866 /nfs/dbraw/zinc/69/98/66/1305699866.db2.gz POTHDQMRGJCFAT-ZZXKWVIFSA-N -1 0 325.292 3.095 20 30 EGEDRM O=C([O-])[C@@H]1CCC(N=Nc2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000788929621 1306045992 /nfs/dbraw/zinc/04/59/92/1306045992.db2.gz WZPYHZXYERUTAG-CYBMUJFWSA-N -1 0 325.324 3.373 20 30 EGEDRM COc1ncc(C(=O)/C=C/c2ccc([N+](=O)[O-])c([O-])c2)cc1Cl ZINC000789156494 1306100491 /nfs/dbraw/zinc/10/04/91/1306100491.db2.gz AKKONHJOJOKTTK-HWKANZROSA-N -1 0 334.715 3.254 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cccc2c1OCC2(C)C ZINC000789402227 1306154498 /nfs/dbraw/zinc/15/44/98/1306154498.db2.gz FIVMCJXNDVAZEZ-HNNXBMFYSA-N -1 0 342.439 3.376 20 30 EGEDRM CCN(C)c1ccc(/C=C\C(=O)c2cc([N+](=O)[O-])ccc2[O-])cn1 ZINC000790225950 1306279593 /nfs/dbraw/zinc/27/95/93/1306279593.db2.gz YWPIBXDHWWYPPV-DAXSKMNVSA-N -1 0 327.340 3.048 20 30 EGEDRM CC(C)(C)c1ccc(C(=O)[N-]S(=O)(=O)CCCC#N)cc1Cl ZINC000810655468 1318039018 /nfs/dbraw/zinc/03/90/18/1318039018.db2.gz QCVRXIKFHGEUAD-UHFFFAOYSA-N -1 0 342.848 3.001 20 30 EGEDRM CC[C@H](NN=C(COCc1ccccc1)c1ccc(F)cc1)C(=O)[O-] ZINC000793056535 1309287854 /nfs/dbraw/zinc/28/78/54/1309287854.db2.gz VKMJNNGAAKWXLX-KRWDZBQOSA-N -1 0 344.386 3.199 20 30 EGEDRM COC(=O)c1cc(NN=C(C)c2cc([N+](=O)[O-])ccc2[O-])ccc1C ZINC000793096794 1309294917 /nfs/dbraw/zinc/29/49/17/1309294917.db2.gz AMOMTFPZGINRSO-UHFFFAOYSA-N -1 0 343.339 3.232 20 30 EGEDRM CC(N=Nc1ncncc1F)c1ccc(-c2ccc(C(=O)[O-])o2)cc1 ZINC000793225007 1309322092 /nfs/dbraw/zinc/32/20/92/1309322092.db2.gz GARUMZXNYOSRIR-UHFFFAOYSA-N -1 0 340.314 3.410 20 30 EGEDRM C#CCCCCC(=O)[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000793355450 1309351834 /nfs/dbraw/zinc/35/18/34/1309351834.db2.gz AEPSDTOFHLEWFX-UHFFFAOYSA-N -1 0 348.251 3.300 20 30 EGEDRM C=CCC[C@@H](NS(=O)(=O)c1cc(C(C)C)ccc1Cl)C(=O)[O-] ZINC000794762962 1309590280 /nfs/dbraw/zinc/59/02/80/1309590280.db2.gz XHRLFDSQGJAGJW-CYBMUJFWSA-N -1 0 345.848 3.161 20 30 EGEDRM COC(=O)c1ccc(Cl)c(/C=C/C(=O)c2ccc(O)cc2[O-])c1 ZINC000794940885 1309626919 /nfs/dbraw/zinc/62/69/19/1309626919.db2.gz DORPFOGMEWQBAU-XVNBXDOJSA-N -1 0 332.739 3.434 20 30 EGEDRM C=CCC(C)(C)C(=O)[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000796981708 1310119804 /nfs/dbraw/zinc/11/98/04/1310119804.db2.gz KDWGNXLUGCXISI-UHFFFAOYSA-N -1 0 333.812 3.195 20 30 EGEDRM CC[C@H](CC(F)(F)F)C(=O)OCC([O-])=C(C#N)c1nc(C)cs1 ZINC000838119961 1320730893 /nfs/dbraw/zinc/73/08/93/1320730893.db2.gz MHBZZPJENYFAKE-ZJUUUORDSA-N -1 0 348.346 3.150 20 30 EGEDRM CC(C)c1cccc2c1OCC/C(=C\c1cc(C(=O)[O-])nn1C)C2=O ZINC000899363679 1317001063 /nfs/dbraw/zinc/00/10/63/1317001063.db2.gz GNTLXDWECPWEBJ-FMIVXFBMSA-N -1 0 340.379 3.291 20 30 EGEDRM COc1ccccc1CO[N-]C(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000803356829 1317112090 /nfs/dbraw/zinc/11/20/90/1317112090.db2.gz MARIPIJPVQKJLS-UHFFFAOYSA-N -1 0 342.370 3.232 20 30 EGEDRM C#C[C@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccc(Cl)cc1F ZINC000804413983 1317231577 /nfs/dbraw/zinc/23/15/77/1317231577.db2.gz FSLCMAKNLIKQQT-HNNXBMFYSA-N -1 0 348.717 3.197 20 30 EGEDRM Cn1ncc(C(=O)[O-])c1/C=C/C(=O)c1ccc(N2CCCCC2)cc1 ZINC000901430200 1317424381 /nfs/dbraw/zinc/42/43/81/1317424381.db2.gz VMBYTXRKSNHAIP-MDZDMXLPSA-N -1 0 339.395 3.005 20 30 EGEDRM Cn1ncc(C(=O)[O-])c1/C=C\C(=O)c1ccc(N2CCCCC2)cc1 ZINC000901430198 1317424498 /nfs/dbraw/zinc/42/44/98/1317424498.db2.gz VMBYTXRKSNHAIP-KTKRTIGZSA-N -1 0 339.395 3.005 20 30 EGEDRM CCN(C(C)=O)c1nc(/C=C\C(=O)c2cccc(C(=O)[O-])c2)cs1 ZINC000806558697 1317500846 /nfs/dbraw/zinc/50/08/46/1317500846.db2.gz JGLPZJKTGQYSTJ-FPLPWBNLSA-N -1 0 344.392 3.110 20 30 EGEDRM Cn1cnc2cc(/C=C3/C[C@H](C(=O)[O-])c4ccccc4C3=O)ccc21 ZINC000806560839 1317501854 /nfs/dbraw/zinc/50/18/54/1317501854.db2.gz PCFFYMCOTWXCCS-RQPMMQJISA-N -1 0 332.359 3.412 20 30 EGEDRM C=C(CNC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O)c1ccccc1 ZINC000807799425 1317587681 /nfs/dbraw/zinc/58/76/81/1317587681.db2.gz ILVRJZVUBADZKK-UHFFFAOYSA-N -1 0 337.404 3.067 20 30 EGEDRM CCO[C@@H]1CC(N=Nc2ccc(Cl)c(C(=O)[O-])c2)[C@H]1SC ZINC000807943430 1317603007 /nfs/dbraw/zinc/60/30/07/1317603007.db2.gz GAPOZHXBGCJFQJ-CHWSQXEVSA-N -1 0 328.821 3.347 20 30 EGEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)CCSc1cccc(Cl)c1 ZINC000808992388 1317757307 /nfs/dbraw/zinc/75/73/07/1317757307.db2.gz VSPRKLWCYRXYQE-ZDUSSCGKSA-N -1 0 347.827 3.147 20 30 EGEDRM N#Cc1c([N-]S(=O)(=O)Cc2cccc(F)c2)sc2c1CCC2 ZINC000906072950 1318034041 /nfs/dbraw/zinc/03/40/41/1318034041.db2.gz MOYZDRCAQZJIFP-UHFFFAOYSA-N -1 0 336.413 3.189 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2coc3cc(C)c(C)cc23)CC1 ZINC000810984304 1318086921 /nfs/dbraw/zinc/08/69/21/1318086921.db2.gz YZDQORQKCSEYST-UHFFFAOYSA-N -1 0 333.409 3.218 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2ccc(C(C)C)cn2)n1 ZINC000811260803 1318135303 /nfs/dbraw/zinc/13/53/03/1318135303.db2.gz LJECDRCGWHQTMG-CYBMUJFWSA-N -1 0 343.408 3.003 20 30 EGEDRM N#Cc1c(F)cccc1/C=C(/C(=O)C(=O)[O-])c1ccc2ccccc2n1 ZINC000811686011 1318227590 /nfs/dbraw/zinc/22/75/90/1318227590.db2.gz KSMLFQYFGXVBGZ-GXDHUFHOSA-N -1 0 346.317 3.440 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])c(/C=N/C[C@@H]2CCN(c3ccccc3F)C2)c1 ZINC000812444405 1318394523 /nfs/dbraw/zinc/39/45/23/1318394523.db2.gz GIMRYYNZYFJYTI-HSWQHBDASA-N -1 0 343.358 3.385 20 30 EGEDRM C=CCC(C)(C)C(=O)NC[C@H](Cc1ccc(OCC)cc1)C(=O)[O-] ZINC000909171131 1318445434 /nfs/dbraw/zinc/44/54/34/1318445434.db2.gz BWFCUJWXSAKHSH-HNNXBMFYSA-N -1 0 333.428 3.047 20 30 EGEDRM C=C1CCC(C(=O)NC[C@@H](Cc2ccc(OCC)cc2)C(=O)[O-])CC1 ZINC000909172092 1318445539 /nfs/dbraw/zinc/44/55/39/1318445539.db2.gz QKMHRVNQRVFMHX-QGZVFWFLSA-N -1 0 345.439 3.191 20 30 EGEDRM C=CC(C)(C)CC(=O)Nc1cccc(-n2ncc(C(=O)[O-])c2C)c1 ZINC000909641391 1318508998 /nfs/dbraw/zinc/50/89/98/1318508998.db2.gz ZUNUGNPENIBGBJ-UHFFFAOYSA-N -1 0 327.384 3.420 20 30 EGEDRM O=C([O-])COc1cccc(/C=C\C(=O)c2cc([N+](=O)[O-])ccc2F)c1 ZINC000814191796 1318694378 /nfs/dbraw/zinc/69/43/78/1318694378.db2.gz TXJTZYIFQNJRAY-DAXSKMNVSA-N -1 0 345.282 3.093 20 30 EGEDRM C=C[C@@H](CC(=O)N(CCC(=O)[O-])Cc1cccnc1)c1ccccc1 ZINC000911277570 1318734030 /nfs/dbraw/zinc/73/40/30/1318734030.db2.gz VSHNWSFASUFRSB-KRWDZBQOSA-N -1 0 338.407 3.245 20 30 EGEDRM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000911749127 1318766363 /nfs/dbraw/zinc/76/63/63/1318766363.db2.gz XLAVPZFWSWKWSO-SJORKVTESA-N -1 0 347.459 3.260 20 30 EGEDRM Cc1cccc(NC(=S)NN=C2CC[C@H](C(=O)[O-])[C@@H](C)C2)c1C ZINC000814707375 1318801995 /nfs/dbraw/zinc/80/19/95/1318801995.db2.gz PKNSCFQEQQDPIF-FZMZJTMJSA-N -1 0 333.457 3.467 20 30 EGEDRM CCOc1ccc(NC(=S)NN=C2CC[C@H](CC(=O)[O-])[C@@H]2C)cc1 ZINC000814717832 1318804204 /nfs/dbraw/zinc/80/42/04/1318804204.db2.gz UMDHVYMXRIXDHB-NWDGAFQWSA-N -1 0 349.456 3.249 20 30 EGEDRM CC(CCc1ccc(OCCC(=O)[O-])cc1)N=Nc1ccccn1 ZINC000814731588 1318808457 /nfs/dbraw/zinc/80/84/57/1318808457.db2.gz DQONXYUNECMVCY-UHFFFAOYSA-N -1 0 327.384 3.356 20 30 EGEDRM COc1ccc(CNN=C(C)c2cccc(O[C@H](C)C(=O)[O-])c2)cc1 ZINC000814811228 1318822503 /nfs/dbraw/zinc/82/25/03/1318822503.db2.gz WLRBLZPTPHJLEX-CQSZACIVSA-N -1 0 342.395 3.061 20 30 EGEDRM Cc1ccc(F)c(NC(=S)NN=C2CC[C@H](C(=O)[O-])[C@H](C)C2)c1 ZINC000814820049 1318824451 /nfs/dbraw/zinc/82/44/51/1318824451.db2.gz RKQJJJAUNLFELW-PWSUYJOCSA-N -1 0 337.420 3.297 20 30 EGEDRM C[C@H]1C(N=Nc2nc(-c3ccncc3)no2)CC[C@H](C(=O)[O-])C1(C)C ZINC000814827319 1318825524 /nfs/dbraw/zinc/82/55/24/1318825524.db2.gz FCSONCDSAJBOAP-CMPLNLGQSA-N -1 0 343.387 3.056 20 30 EGEDRM O=C([O-])c1cccc(C=NNc2nc3ccccc3c(=O)[nH]2)c1Cl ZINC000814868999 1318834200 /nfs/dbraw/zinc/83/42/00/1318834200.db2.gz PZCCFLFVDFBKDG-UHFFFAOYSA-N -1 0 342.742 3.133 20 30 EGEDRM O=C([O-])C1(c2ccccc2)CC(N=Nc2ncnc3ccsc32)C1 ZINC000814880276 1318836706 /nfs/dbraw/zinc/83/67/06/1318836706.db2.gz YPHOJXGPVHTZHT-UHFFFAOYSA-N -1 0 338.392 3.276 20 30 EGEDRM CC(CCc1ccc(O[C@H](C)C(=O)[O-])cc1)=NOC1CCOCC1 ZINC000814906293 1318845019 /nfs/dbraw/zinc/84/50/19/1318845019.db2.gz NWLZXIWBCHIHHK-CQSZACIVSA-N -1 0 335.400 3.043 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2ccn(C(C)C)c2C)n1 ZINC000815315168 1318957251 /nfs/dbraw/zinc/95/72/51/1318957251.db2.gz VPXVZNJNZKJPAA-AWEZNQCLSA-N -1 0 345.424 3.176 20 30 EGEDRM C=CCC(F)(F)C(=O)[N-][C@H](C#N)c1ccc(OC(F)(F)F)cc1 ZINC000815538214 1319011627 /nfs/dbraw/zinc/01/16/27/1319011627.db2.gz XTFBFVHVRNGESW-LLVKDONJSA-N -1 0 334.244 3.477 20 30 EGEDRM CC(C)[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1ccc(C#N)cc1 ZINC000816108878 1319103442 /nfs/dbraw/zinc/10/34/42/1319103442.db2.gz QEFZLOZFMIPINX-QGZVFWFLSA-N -1 0 342.420 3.015 20 30 EGEDRM C#Cc1cccc(NC(=O)CN(C)Cc2cc(Cl)c(F)cc2[O-])c1 ZINC000816494133 1319165874 /nfs/dbraw/zinc/16/58/74/1319165874.db2.gz YXFAMEJADKNYQW-UHFFFAOYSA-N -1 0 346.789 3.237 20 30 EGEDRM CCCCCOc1ccc(C(C)=NNc2nnc(C)c(=O)[n-]2)cc1 ZINC000916282941 1319630874 /nfs/dbraw/zinc/63/08/74/1319630874.db2.gz UPUPLWKIUWJJAQ-UHFFFAOYSA-N -1 0 329.404 3.291 20 30 EGEDRM CSCc1c2ccccc2oc1C([O-])=C(C#N)C(=O)N1CCCC1 ZINC000916866729 1319717569 /nfs/dbraw/zinc/71/75/69/1319717569.db2.gz DFFUHRBZKAEVCS-CYBMUJFWSA-N -1 0 342.420 3.241 20 30 EGEDRM C=CCNC(=O)C(C#N)=C([O-])c1ccc(C2SCCCS2)cc1 ZINC000916917737 1319724250 /nfs/dbraw/zinc/72/42/50/1319724250.db2.gz MWMANSXKQPSKMF-CQSZACIVSA-N -1 0 346.477 3.180 20 30 EGEDRM COc1ccc(C(=O)/C=C2\COc3ccc(F)cc32)cc1CC(=O)[O-] ZINC000918155273 1319924439 /nfs/dbraw/zinc/92/44/39/1319924439.db2.gz FZLBVGKCTBOSFY-NTUHNPAUSA-N -1 0 342.322 3.120 20 30 EGEDRM C=CCC[C@@H](NC(=O)/C=C(\C)c1ccccc1OC(F)F)C(=O)[O-] ZINC000823368945 1320172768 /nfs/dbraw/zinc/17/27/68/1320172768.db2.gz FJCCTQNJNCKLIJ-OCHBPSSRSA-N -1 0 339.338 3.227 20 30 EGEDRM CC[C@@](C)(C#N)C(=O)Nc1cc(C)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC000836951943 1320557487 /nfs/dbraw/zinc/55/74/87/1320557487.db2.gz AZEJXHJQYLSRKZ-HNNXBMFYSA-N -1 0 341.333 3.052 20 30 EGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)C[C@H](C)c1cnn(C)c1 ZINC000842281346 1321367355 /nfs/dbraw/zinc/36/73/55/1321367355.db2.gz IEXKNPDVZWLXOW-LRDDRELGSA-N -1 0 348.406 3.295 20 30 EGEDRM CCCCCCC[C@@H](CC(=O)[O-])NS(=O)(=O)c1ccc(C)cc1 ZINC000844205679 1321578548 /nfs/dbraw/zinc/57/85/48/1321578548.db2.gz RBVXVUNHLKNGKQ-HNNXBMFYSA-N -1 0 341.473 3.477 20 30 EGEDRM Cc1c(N=NC2CCN(c3nccs3)CC2)cccc1C(=O)[O-] ZINC000844622627 1321626149 /nfs/dbraw/zinc/62/61/49/1321626149.db2.gz AGTJLDCDFQSILX-UHFFFAOYSA-N -1 0 330.413 3.218 20 30 EGEDRM CC(C)c1[nH]ccc1C([O-])=C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000845526399 1321716712 /nfs/dbraw/zinc/71/67/12/1321716712.db2.gz HBJXIMGRWLUULV-HNNXBMFYSA-N -1 0 343.814 3.430 20 30 EGEDRM C=C(C)CO[N-]C(=O)CSc1nc(C)nc2sc(C)c(C)c21 ZINC000846539912 1321791546 /nfs/dbraw/zinc/79/15/46/1321791546.db2.gz IMQVIKIJISRDPE-UHFFFAOYSA-N -1 0 337.470 3.333 20 30 EGEDRM C=C[C@@H](C)O[N-]C(=O)C1(c2cc(Br)ccc2OC)CC1 ZINC000846554257 1321793261 /nfs/dbraw/zinc/79/32/61/1321793261.db2.gz JBOXFNZVCAQXLW-SNVBAGLBSA-N -1 0 340.217 3.112 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])C(C)=Cc2ccco2)n1 ZINC000847633816 1321885996 /nfs/dbraw/zinc/88/59/96/1321885996.db2.gz OVBHJICHZGVBEK-UMAGTOLTSA-N -1 0 330.365 3.193 20 30 EGEDRM CCOc1ccc2c(c1)C(=NNc1ccc(CC(=O)[O-])cc1)CCO2 ZINC000848415093 1321958634 /nfs/dbraw/zinc/95/86/34/1321958634.db2.gz VUHAUCIUGQLIGJ-UHFFFAOYSA-N -1 0 340.379 3.311 20 30 EGEDRM N#Cc1c[n-]n2c1nc(COC(=O)CCC1CCCCCC1)cc2=O ZINC000848854344 1322023558 /nfs/dbraw/zinc/02/35/58/1322023558.db2.gz RBELCAIMLIQHNU-UHFFFAOYSA-N -1 0 342.399 3.100 20 30 EGEDRM C[C@@H](OC(=O)c1ccc([O-])c(Cl)c1)C(=O)Nc1ccccc1C#N ZINC000848950350 1322049429 /nfs/dbraw/zinc/04/94/29/1322049429.db2.gz IIFNKPYKWALERR-SNVBAGLBSA-N -1 0 344.754 3.101 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)N[C@@H](C)c2ccc(C)s2)cc1C#N ZINC000919765349 1322104890 /nfs/dbraw/zinc/10/48/90/1322104890.db2.gz RDCCZAFVYONXMB-VIFPVBQESA-N -1 0 333.438 3.242 20 30 EGEDRM CCCc1cc(C(=O)C(C#N)=C([O-])c2c(C)[nH]c3ccccc32)n[nH]1 ZINC000920106254 1322137223 /nfs/dbraw/zinc/13/72/23/1322137223.db2.gz LWLFRXOPGDDWOH-AWEZNQCLSA-N -1 0 334.379 3.357 20 30 EGEDRM CCCCCCCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1cnn(CC)c1 ZINC000850878287 1322304423 /nfs/dbraw/zinc/30/44/23/1322304423.db2.gz KWDKXGLRYDZERU-CQSZACIVSA-N -1 0 343.493 3.095 20 30 EGEDRM Cc1cc(C)cc(CS(=O)(=O)[N-]C(=O)CC2(C#N)CCCCC2)c1 ZINC000851010782 1322323709 /nfs/dbraw/zinc/32/37/09/1322323709.db2.gz LCUGETFQHPHTBZ-UHFFFAOYSA-N -1 0 348.468 3.114 20 30 EGEDRM CCOC(=O)N1CCC(C)(CN=Nc2ccccc2C(=O)[O-])CC1 ZINC000853280830 1325075530 /nfs/dbraw/zinc/07/55/30/1325075530.db2.gz QCRCETJIWHCLNX-UHFFFAOYSA-N -1 0 333.388 3.041 20 30 EGEDRM CC(C)Oc1ccc(C(=O)[O-])cc1C(C)N=Nc1nccnc1Cl ZINC000853307872 1325078156 /nfs/dbraw/zinc/07/81/56/1325078156.db2.gz VUFJDECGNKBFIP-UHFFFAOYSA-N -1 0 348.790 3.452 20 30 EGEDRM O=C([O-])COc1ccc(C=NOCC2CCC2)cc1Br ZINC000853440052 1325092485 /nfs/dbraw/zinc/09/24/85/1325092485.db2.gz YCKWSPOXRGSOEO-UHFFFAOYSA-N -1 0 342.189 3.063 20 30 EGEDRM C=CCCO[N-]C(=O)[C@](C)(NC(=O)OC(C)(C)C)c1ccccc1 ZINC000856035054 1325441979 /nfs/dbraw/zinc/44/19/79/1325441979.db2.gz RQLLWKMIZPINGC-GOSISDBHSA-N -1 0 334.416 3.050 20 30 EGEDRM N#Cc1oc2ccccc2c1[N-]C(=O)c1cnc(Br)o1 ZINC001191714262 1367568341 /nfs/dbraw/zinc/56/83/41/1367568341.db2.gz UGGKEKAUPNPAPR-UHFFFAOYSA-N -1 0 332.113 3.307 20 30 EGEDRM C#CC[C@H](NC(=O)N1CCC[C@@]1(CCC)C(=O)[O-])c1ccccc1 ZINC000929033619 1328493492 /nfs/dbraw/zinc/49/34/92/1328493492.db2.gz MOPZKEJKWPHIFC-LPHOPBHVSA-N -1 0 328.412 3.180 20 30 EGEDRM CC(C)C1N=NC(=S)N1N=Cc1c(O)cccc1Br ZINC000863070099 1329527505 /nfs/dbraw/zinc/52/75/05/1329527505.db2.gz UEUFDBBTTPDLRD-UHFFFAOYSA-N -1 0 341.234 3.041 20 30 EGEDRM COc1cc(OC)c(C(=O)[O-])cc1/C=C\C(=O)c1coc(C(C)C)n1 ZINC000863190774 1329533054 /nfs/dbraw/zinc/53/30/54/1329533054.db2.gz BGJKSNNOYOKGGZ-WAYWQWQTSA-N -1 0 345.351 3.410 20 30 EGEDRM CCc1ccc(F)cc1C(=O)OCC([O-])=C(C#N)c1nc(C)cs1 ZINC000869803954 1330567223 /nfs/dbraw/zinc/56/72/23/1330567223.db2.gz BXHLYHXILKMOJQ-AWEZNQCLSA-N -1 0 346.383 3.186 20 30 EGEDRM N#Cc1cnc(Nc2cccc(C(=O)[O-])c2F)c(Br)c1 ZINC001210238681 1372301598 /nfs/dbraw/zinc/30/15/98/1372301598.db2.gz IALQZEGGSBYLTA-UHFFFAOYSA-N -1 0 336.120 3.297 20 30 EGEDRM Cc1nc(Br)ccc1NC(=O)CCC(=O)C1=CC=C[CH]1 ZINC001184241601 1387418615 /nfs/dbraw/zinc/41/86/15/1387418615.db2.gz WJLHKYAWCZBQPV-UHFFFAOYSA-N -1 0 334.193 3.141 20 30 EGEDRM CC(C)CNC(=O)c1cccc(NC(=O)CCC(=O)C2=CC=C[CH]2)c1 ZINC001184245171 1387419304 /nfs/dbraw/zinc/41/93/04/1387419304.db2.gz KMOJQGNHJJSBSG-UHFFFAOYSA-N -1 0 339.415 3.061 20 30 EGEDRM Cc1nccc(C(F)(F)F)c1C(=O)Nc1cc(C#N)c(F)cc1[O-] ZINC001185053860 1387600367 /nfs/dbraw/zinc/60/03/67/1387600367.db2.gz BVIALTSVPRMLLS-UHFFFAOYSA-N -1 0 339.248 3.378 20 30 EGEDRM Cc1cc(C#N)c([N-]S(=O)(=O)Cc2cc(F)cc(F)c2)cc1F ZINC001185152540 1387626919 /nfs/dbraw/zinc/62/69/19/1387626919.db2.gz JVIBSWQVWLLYGM-UHFFFAOYSA-N -1 0 340.326 3.226 20 30 EGEDRM N#Cc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccsc1 ZINC001185384229 1387699365 /nfs/dbraw/zinc/69/93/65/1387699365.db2.gz PWLVMMQTNVJYES-UHFFFAOYSA-N -1 0 332.328 3.439 20 30 EGEDRM Cc1cc2cc(N=Cc3cc([N+](=O)[O-])ccc3[O-])ccc2n(C)c1=O ZINC001324803204 1387778009 /nfs/dbraw/zinc/77/80/09/1387778009.db2.gz PXWHRKMIYZSCRY-UHFFFAOYSA-N -1 0 337.335 3.211 20 30 EGEDRM C#Cc1ccc([N-]S(=O)(=O)c2ccc(F)c3ccccc32)cn1 ZINC001189362460 1367003609 /nfs/dbraw/zinc/00/36/09/1367003609.db2.gz COIQBPAMHZQNHR-UHFFFAOYSA-N -1 0 326.352 3.156 20 30 EGEDRM N#Cc1cc(F)c(F)cc1[N-]S(=O)(=O)Cc1cc(F)ccc1F ZINC001189691830 1367086910 /nfs/dbraw/zinc/08/69/10/1367086910.db2.gz VTNVYDZFYZJGDT-UHFFFAOYSA-N -1 0 344.289 3.057 20 30 EGEDRM N#Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(F)cc(F)c1F ZINC001190389502 1367249779 /nfs/dbraw/zinc/24/97/79/1367249779.db2.gz GREBFOPLXANNJL-UHFFFAOYSA-N -1 0 346.717 3.430 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cccc3ccncc32)c1 ZINC001190648082 1367315298 /nfs/dbraw/zinc/31/52/98/1367315298.db2.gz SDFJKYFKSBBVKW-UHFFFAOYSA-N -1 0 327.340 3.046 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cccc3ncc(F)cc23)c1 ZINC001190656260 1367320589 /nfs/dbraw/zinc/32/05/89/1367320589.db2.gz XVNQMXLWDHMQAG-UHFFFAOYSA-N -1 0 345.330 3.185 20 30 EGEDRM Cc1cc([N-]S(=O)(=O)c2cc(C#N)ccc2F)cc(F)c1F ZINC001190658336 1367321517 /nfs/dbraw/zinc/32/15/17/1367321517.db2.gz UOGSFWUDUGKNHL-UHFFFAOYSA-N -1 0 326.299 3.085 20 30 EGEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cnccc2C2CC2)c1 ZINC001190939299 1367386509 /nfs/dbraw/zinc/38/65/09/1367386509.db2.gz ZLHWXQGKBUWVBT-UHFFFAOYSA-N -1 0 333.800 3.285 20 30 EGEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccnc2C2CC2)c1 ZINC001190939198 1367386579 /nfs/dbraw/zinc/38/65/79/1367386579.db2.gz TVBZPMKUIXQQAR-UHFFFAOYSA-N -1 0 333.800 3.285 20 30 EGEDRM Cc1nsc([N-]S(=O)(=O)Cc2ccc(Cl)cc2F)c1C#N ZINC001191856993 1367615794 /nfs/dbraw/zinc/61/57/94/1367615794.db2.gz VXCWWEOGPRUYSO-UHFFFAOYSA-N -1 0 345.808 3.058 20 30 EGEDRM Cc1sc([N-]S(=O)(=O)c2cnc(Cl)cc2C)c(C#N)c1C ZINC001192311449 1367745977 /nfs/dbraw/zinc/74/59/77/1367745977.db2.gz ZWRAFJPMQQPQLC-UHFFFAOYSA-N -1 0 341.845 3.394 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2c(Cl)cccc2C#N)cnc1Cl ZINC001192570518 1367820708 /nfs/dbraw/zinc/82/07/08/1367820708.db2.gz LUYOHXYDDJPVAW-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM Cc1cc(C#N)c([N-]S(=O)(=O)c2cnc(Cl)c(C)c2)cc1F ZINC001192576504 1367822760 /nfs/dbraw/zinc/82/27/60/1367822760.db2.gz LQUXLHXTHHMZDE-UHFFFAOYSA-N -1 0 339.779 3.163 20 30 EGEDRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2cccc(C)c2C#N)c1 ZINC001192804720 1367878578 /nfs/dbraw/zinc/87/85/78/1367878578.db2.gz CILSSVFAOMYVHU-UHFFFAOYSA-N -1 0 330.409 3.239 20 30 EGEDRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2)c1 ZINC001192821017 1367882297 /nfs/dbraw/zinc/88/22/97/1367882297.db2.gz IZORDUNJIFDIAD-UHFFFAOYSA-N -1 0 334.372 3.069 20 30 EGEDRM CC(C)COc1cc([N-]S(=O)(=O)CC#N)cc(C(F)(F)F)c1 ZINC001192985585 1367917046 /nfs/dbraw/zinc/91/70/46/1367917046.db2.gz HYCYUOMSOMGZPV-UHFFFAOYSA-N -1 0 336.335 3.005 20 30 EGEDRM C#Cc1ccc(NC(=O)c2cc(Cl)nc(Cl)c2[O-])cc1F ZINC001193094209 1367942634 /nfs/dbraw/zinc/94/26/34/1367942634.db2.gz VQPYRWRBBZBCLO-UHFFFAOYSA-N -1 0 325.126 3.467 20 30 EGEDRM COc1cccc(NC(=O)c2cc(Cl)nc(Cl)c2[O-])c1C#N ZINC001193094245 1367942958 /nfs/dbraw/zinc/94/29/58/1367942958.db2.gz XBJSEWVEBQJKMJ-UHFFFAOYSA-N -1 0 338.150 3.227 20 30 EGEDRM CC(C)(CNC(=O)c1ccc([O-])c(C#N)c1)c1c[nH]c2ccccc21 ZINC001193515773 1368050994 /nfs/dbraw/zinc/05/09/94/1368050994.db2.gz RWLDXZSETJBSNC-UHFFFAOYSA-N -1 0 333.391 3.453 20 30 EGEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cccc(C(F)F)c2)c1 ZINC001193679300 1368093126 /nfs/dbraw/zinc/09/31/26/1368093126.db2.gz AHCDDWDNYOBRRA-UHFFFAOYSA-N -1 0 338.335 3.305 20 30 EGEDRM Cc1cc(C#N)c([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)s1 ZINC001196647927 1368655069 /nfs/dbraw/zinc/65/50/69/1368655069.db2.gz LDOPEJPNCFRBHL-UHFFFAOYSA-N -1 0 337.813 3.254 20 30 EGEDRM N#Cc1cccc(F)c1[N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC001197672282 1368870326 /nfs/dbraw/zinc/87/03/26/1368870326.db2.gz JMLJTYHGGMQWPK-UHFFFAOYSA-N -1 0 342.754 3.432 20 30 EGEDRM CN(C)c1ccc(NC(=S)Nc2cc(C#N)c(F)cc2[O-])cc1 ZINC001198765221 1369108313 /nfs/dbraw/zinc/10/83/13/1369108313.db2.gz ZJIMDJCGAPWNLI-UHFFFAOYSA-N -1 0 330.388 3.278 20 30 EGEDRM N#Cc1cc(NC(=O)c2cnc(Oc3ccccc3)nc2)ccc1O ZINC001199773693 1369269743 /nfs/dbraw/zinc/26/97/43/1369269743.db2.gz RTQFQOKDULVGFV-UHFFFAOYSA-N -1 0 332.319 3.098 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2cc(C#N)cn2C(C)(C)C)cc1C#N ZINC001201293424 1369512107 /nfs/dbraw/zinc/51/21/07/1369512107.db2.gz XMRJXBZYCVFKKV-UHFFFAOYSA-N -1 0 342.424 3.096 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2cccc(C3CCC3)n2)cc1C#N ZINC001201295691 1369513019 /nfs/dbraw/zinc/51/30/19/1369513019.db2.gz ZFTILBLHQRQICC-UHFFFAOYSA-N -1 0 327.409 3.330 20 30 EGEDRM N#Cc1ncc(Nc2ccc3ccc(S(=O)(=O)[O-])cc3c2)cc1F ZINC001203059892 1369969538 /nfs/dbraw/zinc/96/95/38/1369969538.db2.gz HVBRSJAINRWPEF-UHFFFAOYSA-N -1 0 343.339 3.236 20 30 EGEDRM COc1cc([N-]S(=O)(=O)c2cc3c(s2)CCCC3)ccc1C#N ZINC001187210603 1388072177 /nfs/dbraw/zinc/07/21/77/1388072177.db2.gz VRSSIEFZNKVXLF-UHFFFAOYSA-N -1 0 348.449 3.308 20 30 EGEDRM C/C(=N\C#N)N(C)Cc1ccc(-c2ccc(F)c(C(=O)[O-])c2F)nc1 ZINC001205062120 1370640535 /nfs/dbraw/zinc/64/05/35/1370640535.db2.gz XLQASKXTDGAICM-LSHDLFTRSA-N -1 0 344.321 3.056 20 30 EGEDRM Cc1cccc(NN=Cc2c(Br)cc(C(=O)[O-])n2C)c1 ZINC001116082506 1370834904 /nfs/dbraw/zinc/83/49/04/1370834904.db2.gz ORIDYUGLSKVJRF-UHFFFAOYSA-N -1 0 336.189 3.240 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccn(C3CCCCC3)n2)c(F)c1 ZINC001116796220 1370976012 /nfs/dbraw/zinc/97/60/12/1370976012.db2.gz VYOWDFASWYSZNF-UHFFFAOYSA-N -1 0 348.403 3.200 20 30 EGEDRM N#Cc1ccncc1[N-]S(=O)(=O)CCc1cccc2ccccc21 ZINC001187615774 1388130565 /nfs/dbraw/zinc/13/05/65/1388130565.db2.gz GDIIQEMIGFKBNC-UHFFFAOYSA-N -1 0 337.404 3.091 20 30 EGEDRM N#Cc1cccc(NS(=O)(=O)CCc2cccc3ccccc32)n1 ZINC001187616973 1388130840 /nfs/dbraw/zinc/13/08/40/1388130840.db2.gz YFVWAEPYENRQDB-UHFFFAOYSA-N -1 0 337.404 3.091 20 30 EGEDRM N#Cc1cc(Cl)cc(Cl)c1[N-]S(=O)(=O)c1nccs1 ZINC001187891423 1388185005 /nfs/dbraw/zinc/18/50/05/1388185005.db2.gz KZUQQFDAKKEKQQ-UHFFFAOYSA-N -1 0 334.209 3.122 20 30 EGEDRM N#Cc1ncc(Br)cc1Nc1cccc(CC(=O)[O-])c1 ZINC001210068331 1372265654 /nfs/dbraw/zinc/26/56/54/1372265654.db2.gz UGTHGLGIELPDQG-UHFFFAOYSA-N -1 0 332.157 3.086 20 30 EGEDRM N#Cc1ncccc1Nc1ccc2ccc(S(=O)(=O)[O-])cc2c1 ZINC001210147209 1372281990 /nfs/dbraw/zinc/28/19/90/1372281990.db2.gz TVOXMCNDDRNWFP-UHFFFAOYSA-N -1 0 325.349 3.097 20 30 EGEDRM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)c(C#N)c1 ZINC001187961008 1388198766 /nfs/dbraw/zinc/19/87/66/1388198766.db2.gz OOXWSDWYIVDBLJ-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM N#Cc1cnn(C2CCOCC2)c1Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001211963141 1372641335 /nfs/dbraw/zinc/64/13/35/1372641335.db2.gz YZRPJLVWKKPCTL-UHFFFAOYSA-N -1 0 346.774 3.201 20 30 EGEDRM COC(=O)c1cc(C#N)ccc1Nc1ccc(C(=O)[O-])c(F)c1F ZINC001212515241 1372718481 /nfs/dbraw/zinc/71/84/81/1372718481.db2.gz SVMSTCSAGUIZQI-UHFFFAOYSA-N -1 0 332.262 3.065 20 30 EGEDRM N#Cc1cnc(Nc2ccc(NC(=O)CCC(=O)[O-])cc2)c(Cl)c1 ZINC001213179646 1372854002 /nfs/dbraw/zinc/85/40/02/1372854002.db2.gz ZJULUZDOALUTFN-UHFFFAOYSA-N -1 0 344.758 3.154 20 30 EGEDRM N#Cc1ccc(Nc2ccc(NC(=O)CCC(=O)[O-])cc2)cc1F ZINC001213189178 1372856486 /nfs/dbraw/zinc/85/64/86/1372856486.db2.gz ANQCXNCSJUSVNU-UHFFFAOYSA-N -1 0 327.315 3.244 20 30 EGEDRM N#Cc1ccc(-c2noc(-c3cc(Br)ccc3[O-])n2)nc1 ZINC001215151732 1373179494 /nfs/dbraw/zinc/17/94/94/1373179494.db2.gz KMICKLJRTLZNMJ-UHFFFAOYSA-N -1 0 343.140 3.138 20 30 EGEDRM Cc1c2cccc(-c3noc(-c4ccc([O-])c(C#N)c4)n3)c2nn1C ZINC001216969374 1373373139 /nfs/dbraw/zinc/37/31/39/1373373139.db2.gz CPGXKSBMMBNJCQ-UHFFFAOYSA-N -1 0 331.335 3.176 20 30 EGEDRM N#Cc1cc(-c2nc(-c3ccc4c(c3)C(=O)CCC4)no2)ccc1[O-] ZINC001216969611 1373373434 /nfs/dbraw/zinc/37/34/34/1373373434.db2.gz IXPGHNFQLSHHCU-UHFFFAOYSA-N -1 0 331.331 3.500 20 30 EGEDRM Cc1ccc(-c2noc(-c3cc(=O)c4cccc(C#N)c4[n-]3)n2)cc1 ZINC001217503804 1373456032 /nfs/dbraw/zinc/45/60/32/1373456032.db2.gz UARPXRBYQDOESP-UHFFFAOYSA-N -1 0 328.331 3.425 20 30 EGEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ccc(C(C)(C)CC)cc1 ZINC001225536997 1375120908 /nfs/dbraw/zinc/12/09/08/1375120908.db2.gz LKUBIQFWFNBWAO-INIZCTEOSA-N -1 0 342.457 3.212 20 30 EGEDRM CCCCCCC[C@H](C)Oc1nc(=O)[n-]c(C(=O)OC)c1[N+](=O)[O-] ZINC001226652788 1375300496 /nfs/dbraw/zinc/30/04/96/1375300496.db2.gz NPNOOMFZEAPQKU-JTQLQIEISA-N -1 0 341.364 3.005 20 30 EGEDRM C=C[C@@]1(C)CC[C@H](C(C)(C)Oc2nc(C3CC3)[n-]c(=O)c2[N+](=O)[O-])O1 ZINC001228604964 1375614310 /nfs/dbraw/zinc/61/43/10/1375614310.db2.gz ZEOGBDVOVBYGPC-DIFFPNOSSA-N -1 0 349.387 3.249 20 30 EGEDRM C=C[C@@H](CC(=O)OC(C)(C)C)Oc1[n-]c(=O)nc2cc(OC)ccc21 ZINC001229137160 1375771773 /nfs/dbraw/zinc/77/17/73/1375771773.db2.gz HFJDGHLZHXGRRT-NSHDSACASA-N -1 0 346.383 3.009 20 30 EGEDRM CC1(C#N)CCN(Cc2cc(F)c([O-])c(Br)c2)CC1 ZINC001232633987 1376492955 /nfs/dbraw/zinc/49/29/55/1376492955.db2.gz CLZYLYVWQUAZDP-UHFFFAOYSA-N -1 0 327.197 3.419 20 30 EGEDRM N#Cc1ccccc1Oc1nc(-c2cncc(C(=O)[O-])c2)ncc1F ZINC001241801986 1377020736 /nfs/dbraw/zinc/02/07/36/1377020736.db2.gz DPZGWHSGZDXNGY-UHFFFAOYSA-N -1 0 336.282 3.040 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccccc2Br)s1 ZINC001257338759 1377114153 /nfs/dbraw/zinc/11/41/53/1377114153.db2.gz YQCXEXMDZNZDRB-UHFFFAOYSA-N -1 0 343.227 3.183 20 30 EGEDRM Cc1coc([N-]S(=O)(=O)c2ccccc2Br)c1C#N ZINC001257338522 1377114175 /nfs/dbraw/zinc/11/41/75/1377114175.db2.gz SZXBMVYEGGSSPW-UHFFFAOYSA-N -1 0 341.186 3.023 20 30 EGEDRM N#Cc1cc(NC(=O)c2cnccc2C(F)(F)F)c([O-])cc1F ZINC001147270671 1378999724 /nfs/dbraw/zinc/99/97/24/1378999724.db2.gz WVLVGQFJOCORBR-UHFFFAOYSA-N -1 0 325.221 3.069 20 30 EGEDRM N#CCc1ccc(OCc2ccc(NCc3cc(=O)[n-]o3)nc2)cc1 ZINC001158564646 1381301789 /nfs/dbraw/zinc/30/17/89/1381301789.db2.gz NURVVFASHDZKAF-UHFFFAOYSA-N -1 0 336.351 3.032 20 30 EGEDRM C=C1CC=C(F)CC1=Nc1nc(Cl)[n-]c2nc(C(=O)OC)cc1-2 ZINC001160716571 1382177200 /nfs/dbraw/zinc/17/72/00/1382177200.db2.gz QGBZLMFESFLZOG-UHFFFAOYSA-N -1 0 334.738 3.459 20 30 EGEDRM Cn1[n-]c(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)cc1=O ZINC001296789743 1383065031 /nfs/dbraw/zinc/06/50/31/1383065031.db2.gz LFJQERIQKWOTOE-UHFFFAOYSA-N -1 0 334.335 3.042 20 30 EGEDRM Cc1cc(NC2=C(Cl)C(=O)c3ccccc3C2=O)cnc1C(=O)[O-] ZINC001169047817 1384100529 /nfs/dbraw/zinc/10/05/29/1384100529.db2.gz DEAHTMBNQPSYQH-UHFFFAOYSA-N -1 0 342.738 3.030 20 30 EGEDRM CC(=NNC(=S)NC(C)C)c1ccc(-c2ccc(C(=O)[O-])o2)cc1 ZINC001317671153 1385377676 /nfs/dbraw/zinc/37/76/76/1385377676.db2.gz HGPLHDDNWKIQMG-UHFFFAOYSA-N -1 0 345.424 3.241 20 30 EGEDRM N#Cc1ccccc1S(=O)(=O)[N-]C(=O)CCCC1CCCCC1 ZINC001317921589 1385568348 /nfs/dbraw/zinc/56/83/48/1385568348.db2.gz BENLGRSTPFWCFJ-UHFFFAOYSA-N -1 0 334.441 3.114 20 30 EGEDRM CC(C)(C)n1cc(C#N)cc1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176675449 1385655372 /nfs/dbraw/zinc/65/53/72/1385655372.db2.gz XXAQXDUQRXHSQY-UHFFFAOYSA-N -1 0 328.328 3.465 20 30 EGEDRM C[C@@H](Oc1cccc(CN=Nc2ccc(C(C)(C)C)nn2)c1)C(=O)[O-] ZINC001318580950 1385769354 /nfs/dbraw/zinc/76/93/54/1385769354.db2.gz SZPNAIFRCAQNNG-GFCCVEGCSA-N -1 0 342.399 3.072 20 30 EGEDRM CCn1ncc(C#N)c1[N-]S(=O)(=O)c1cc(C(C)(C)C)ccc1C ZINC001320689575 1386692681 /nfs/dbraw/zinc/69/26/81/1386692681.db2.gz GFQRGQXIFFQOCS-UHFFFAOYSA-N -1 0 346.456 3.181 20 30 EGEDRM C=CC[C@H](NC(=O)NCCc1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC001321111323 1386812928 /nfs/dbraw/zinc/81/29/28/1386812928.db2.gz QNZHERAEADDJRD-SFHVURJKSA-N -1 0 338.407 3.225 20 30 EGEDRM N#Cc1cc(NC(=O)Cc2c[nH]c3c2cccc3F)c([O-])cc1F ZINC001182574862 1387189704 /nfs/dbraw/zinc/18/97/04/1387189704.db2.gz BRKUZTBAQZJJKR-UHFFFAOYSA-N -1 0 327.290 3.205 20 30 EGEDRM C=C(C)CNC(=O)c1cc(Br)cc(Br)c1[O-] ZINC001337159110 1389266808 /nfs/dbraw/zinc/26/68/08/1389266808.db2.gz LPJPXYVXQWUZIV-UHFFFAOYSA-N -1 0 349.022 3.223 20 30 EGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CCc1ccccn1 ZINC001340420294 1390286134 /nfs/dbraw/zinc/28/61/34/1390286134.db2.gz COIHFTMCLPBQBC-INIZCTEOSA-N -1 0 331.375 3.396 20 30 EGEDRM C=CC[C@H](NC(=O)N1CCCC[C@@H]1CCC(=O)[O-])c1ccncc1 ZINC001340476626 1390294694 /nfs/dbraw/zinc/29/46/94/1390294694.db2.gz IOYKOXXXPUHZID-CVEARBPZSA-N -1 0 331.416 3.128 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1NN=C(C)c1c(C)nc2sccn21 ZINC001341170463 1390451393 /nfs/dbraw/zinc/45/13/93/1390451393.db2.gz UETKOBVZSOHSGC-UHFFFAOYSA-N -1 0 344.396 3.247 20 30 EGEDRM CC(C)c1ccc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)nc1 ZINC001341820863 1390533700 /nfs/dbraw/zinc/53/37/00/1390533700.db2.gz JVGBYDZNNUPARE-AWEZNQCLSA-N -1 0 331.379 3.220 20 30 EGEDRM Cn1cc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)c2ccccc21 ZINC001342518855 1390621526 /nfs/dbraw/zinc/62/15/26/1390621526.db2.gz JKJGZRWIXPLBHU-CQSZACIVSA-N -1 0 341.374 3.194 20 30 EGEDRM CCn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N(C)[C@H](C)c1ccccc1 ZINC001342641280 1390635094 /nfs/dbraw/zinc/63/50/94/1390635094.db2.gz KNOKUJROOUDMFU-CYBMUJFWSA-N -1 0 348.410 3.135 20 30 EGEDRM Cc1ccc(Br)c(C([O-])=C(C#N)c2cc(C)nc(C)n2)n1 ZINC001342701581 1390643014 /nfs/dbraw/zinc/64/30/14/1390643014.db2.gz ZUPYANKJYTUPJL-LLVKDONJSA-N -1 0 345.200 3.049 20 30 EGEDRM CCc1cc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)nn1C ZINC001343365968 1390709546 /nfs/dbraw/zinc/70/95/46/1390709546.db2.gz LTKJVSHUPOBYAC-LLVKDONJSA-N -1 0 343.337 3.217 20 30 EGEDRM C=CC[C@H](NC(=O)CCc1ncc(-c2ccccc2Cl)o1)C(=O)[O-] ZINC001344553467 1390799127 /nfs/dbraw/zinc/79/91/27/1390799127.db2.gz SQJVSRJHIXVTJL-ZDUSSCGKSA-N -1 0 348.786 3.073 20 30 EGEDRM CNC(=O)Nc1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cc1 ZINC001344965776 1390827959 /nfs/dbraw/zinc/82/79/59/1390827959.db2.gz MLZVEGIVTICXTO-ZDUSSCGKSA-N -1 0 340.408 3.262 20 30 EGEDRM Cn1nc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cc1C(F)(F)F ZINC001344965983 1390827975 /nfs/dbraw/zinc/82/79/75/1390827975.db2.gz NDQSTZRVJXCMGK-MRVPVSSYSA-N -1 0 340.330 3.263 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)OCc2csc(C)c2C)cc1C#N ZINC001349751231 1391362295 /nfs/dbraw/zinc/36/22/95/1391362295.db2.gz PKBSVHSMCXOFGD-UHFFFAOYSA-N -1 0 334.422 3.416 20 30 EGEDRM N#Cc1ccc(Oc2ccc(Cl)c(-c3nn[n-]n3)n2)c(Cl)c1 ZINC000822832720 1428666396 /nfs/dbraw/zinc/66/63/96/1428666396.db2.gz FFYRSDXLVYRVIJ-UHFFFAOYSA-N -1 0 333.138 3.232 20 30 EGEDRM CC[C@H](C#N)OC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000820842146 1428685218 /nfs/dbraw/zinc/68/52/18/1428685218.db2.gz KJYKPYVVLLZMHD-CQSZACIVSA-N -1 0 349.350 3.118 20 30 EGEDRM CC(=NNCc1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823953558 1428941455 /nfs/dbraw/zinc/94/14/55/1428941455.db2.gz GRKJRSJYBRZZTQ-UHFFFAOYSA-N -1 0 332.820 3.095 20 30 EGEDRM C=CCC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC000819733994 1429232144 /nfs/dbraw/zinc/23/21/44/1429232144.db2.gz GVAKEDJCLLYEAI-CYBMUJFWSA-N -1 0 339.424 3.366 20 30 EGEDRM O=C1c2cccc(F)c2SCC1=Cc1ccccc1-c1nn[n-]n1 ZINC000826477261 1423904137 /nfs/dbraw/zinc/90/41/37/1423904137.db2.gz YPZAOUWXRNNPLT-DHZHZOJOSA-N -1 0 338.367 3.378 20 30 EGEDRM Brc1ccccc1NN=Cc1cc(-c2nn[n-]n2)cs1 ZINC000819688956 1426365817 /nfs/dbraw/zinc/36/58/17/1426365817.db2.gz RIIHEZYYGYZKOE-UHFFFAOYSA-N -1 0 349.217 3.137 20 30 EGEDRM CC(=Cc1ccc(C)cc1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000823943715 1426913117 /nfs/dbraw/zinc/91/31/17/1426913117.db2.gz RIQMFFJONBANSB-LCYFTJDESA-N -1 0 344.378 3.089 20 30 EGEDRM C(=NNc1ccc(-c2nn[n-]n2)cc1)c1cccc(-c2cccnc2)c1 ZINC000819718590 1427234207 /nfs/dbraw/zinc/23/42/07/1427234207.db2.gz KUFWCNKJYNNJCL-UHFFFAOYSA-N -1 0 341.378 3.375 20 30 EGEDRM FC(F)(F)c1ccccc1NN=Cc1ccc(-c2nn[n-]n2)s1 ZINC000822728757 1427544559 /nfs/dbraw/zinc/54/45/59/1427544559.db2.gz MBYLTDRJCQLVIM-UHFFFAOYSA-N -1 0 338.318 3.393 20 30 EGEDRM C=C(C)CN(CC)C(=O)CS[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735399942 1427931453 /nfs/dbraw/zinc/93/14/53/1427931453.db2.gz XIGOUJKIVXKTCY-ZDUSSCGKSA-N -1 0 345.472 3.086 20 30 EGEDRM COc1ccc(C=CC(=O)c2ccc(C)s2)cc1-c1nn[n-]n1 ZINC000737080833 1441927964 /nfs/dbraw/zinc/92/79/64/1441927964.db2.gz HRWQHRWVQVIXKO-GQCTYLIASA-N -1 0 326.381 3.141 20 30 EGEDRM COc1ccc(C)cc1C(=O)C=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826190391 1441931345 /nfs/dbraw/zinc/93/13/45/1441931345.db2.gz ZQPQKEZVZXLHOV-FNORWQNLSA-N -1 0 338.342 3.219 20 30 EGEDRM Cc1c(Cl)cnc(N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1C#N ZINC000826238309 1442426096 /nfs/dbraw/zinc/42/60/96/1442426096.db2.gz CKPOXJLLZQLQIT-SNVBAGLBSA-N -1 0 339.790 3.268 20 30 EGEDRM CC(C)Oc1ccc(NCc2ccccc2C#N)cc1-c1nn[n-]n1 ZINC000820173991 1443344568 /nfs/dbraw/zinc/34/45/68/1443344568.db2.gz OHVNWCYZIWAUDY-UHFFFAOYSA-N -1 0 334.383 3.138 20 30 EGEDRM Fc1cc(-c2nn[n-]n2)ccc1OCC#Cc1cccc(Cl)c1 ZINC000822748183 1446234026 /nfs/dbraw/zinc/23/40/26/1446234026.db2.gz LWTRHGKZZLPUCF-UHFFFAOYSA-N -1 0 328.734 3.090 20 30 EGEDRM CC(CCC(F)(F)F)N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000824400167 1447277065 /nfs/dbraw/zinc/27/70/65/1447277065.db2.gz BGVFCTCXRYBKHB-UHFFFAOYSA-N -1 0 333.705 3.045 20 30 EGEDRM C=CCOc1cccc(NC(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)c1 ZINC000797739814 939202157 /nfs/dbraw/zinc/20/21/57/939202157.db2.gz NYQJUFVKBCIRTD-LJQANCHMSA-N -1 0 340.379 3.373 20 30 EGEDRM N#Cc1ccc(CNC(=O)Nc2ccc(C(=O)[O-])cc2F)cc1Cl ZINC001601101399 970932085 /nfs/dbraw/zinc/93/20/85/970932085.db2.gz OFCNGRMSERXBQC-UHFFFAOYSA-N -1 0 347.733 3.371 20 30 EGEDRM C#CCSc1ccc(COC(=O)Cc2ccccc2C(=O)[O-])cc1 ZINC001602704817 971338083 /nfs/dbraw/zinc/33/80/83/971338083.db2.gz UZARWJLFFCXOCY-UHFFFAOYSA-N -1 0 340.400 3.396 20 30 EGEDRM C=CCN(Cc1ccccc1F)C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001602722857 971390134 /nfs/dbraw/zinc/39/01/34/971390134.db2.gz VKUHUSKMBHUPFV-UHFFFAOYSA-N -1 0 343.354 3.118 20 30 EGEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001602722804 971390179 /nfs/dbraw/zinc/39/01/79/971390179.db2.gz QMGAUBQAIDJHGP-UHFFFAOYSA-N -1 0 341.367 3.009 20 30 EGEDRM C[C@@H](C(=O)[O-])N(C(=O)Nc1scc(C(C)(C)C)c1C#N)C1CC1 ZINC001602815095 971613741 /nfs/dbraw/zinc/61/37/41/971613741.db2.gz KMXXQXVYFWLHKC-VIFPVBQESA-N -1 0 335.429 3.387 20 30 EGEDRM CC(C)(Cc1ccc(C#N)cc1)NC(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001602949038 971925381 /nfs/dbraw/zinc/92/53/81/971925381.db2.gz YWVKEBBRDRTNLG-FPLPWBNLSA-N -1 0 338.363 3.000 20 30 EGEDRM CCc1ccc([C@H](C#N)N(C)C(=O)c2coc(/C=C/C(=O)[O-])c2)cc1 ZINC001593635580 953608373 /nfs/dbraw/zinc/60/83/73/953608373.db2.gz WVQZSPRQXVKEJR-IJDCCNJMSA-N -1 0 338.363 3.277 20 30 EGEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)NC1(C(=O)[O-])CCCCCC1 ZINC001589079144 955839133 /nfs/dbraw/zinc/83/91/33/955839133.db2.gz LWDQUVIQRFDHON-AWEZNQCLSA-N -1 0 328.412 3.031 20 30 EGEDRM C[C@@H](NC(=O)Nc1cccc(CCC(=O)[O-])c1)c1ccc(C#N)cc1 ZINC001589107956 956036831 /nfs/dbraw/zinc/03/68/31/956036831.db2.gz AJZAXONFFFOPNJ-CYBMUJFWSA-N -1 0 337.379 3.458 20 30 EGEDRM N#Cc1c(NC(=O)CCCCC(=O)[O-])cccc1OC(F)(F)F ZINC001594614323 956231219 /nfs/dbraw/zinc/23/12/19/956231219.db2.gz REBBSCDIDCBSOI-UHFFFAOYSA-N -1 0 330.262 3.040 20 30 EGEDRM N#Cc1cc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)ccc1F ZINC001594616768 956243434 /nfs/dbraw/zinc/24/34/34/956243434.db2.gz SIXOTEDGFWLACP-UHFFFAOYSA-N -1 0 336.681 3.440 20 30 EGEDRM N#Cc1cc(NC(=O)N2CCC[C@@H](CC(=O)[O-])C2)ccc1C1CC1 ZINC000887393007 956257347 /nfs/dbraw/zinc/25/73/47/956257347.db2.gz LLRLVZRSLFAJHC-LBPRGKRZSA-N -1 0 327.384 3.154 20 30 EGEDRM N#Cc1ccc(OC(F)F)c(NC(=O)/C=C\c2ccc(C(=O)[O-])o2)c1 ZINC001594624039 956301480 /nfs/dbraw/zinc/30/14/80/956301480.db2.gz OPTWGUJXGPYPTO-UTCJRWHESA-N -1 0 348.261 3.103 20 30 EGEDRM N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)C1(C(=O)[O-])CCCCCC1 ZINC001594626831 956319480 /nfs/dbraw/zinc/31/94/80/956319480.db2.gz ITBFVTRLQGPWQT-QGZVFWFLSA-N -1 0 340.423 3.477 20 30 EGEDRM N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)NCc1cccc(C(=O)[O-])c1 ZINC001594627319 956322524 /nfs/dbraw/zinc/32/25/24/956322524.db2.gz PDORKHRNDCGQDH-SFHVURJKSA-N -1 0 349.390 3.133 20 30 EGEDRM N#Cc1cnc(Oc2cc(C(=O)[O-])ccc2F)c(Br)c1 ZINC001594633525 956359304 /nfs/dbraw/zinc/35/93/04/956359304.db2.gz UULRSRLFDZYVRF-UHFFFAOYSA-N -1 0 337.104 3.345 20 30 EGEDRM C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC001589175112 956491312 /nfs/dbraw/zinc/49/13/12/956491312.db2.gz ZYMUQDDNBFQBED-NVGCLXPQSA-N -1 0 336.819 3.295 20 30 EGEDRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1 ZINC001589211781 956696140 /nfs/dbraw/zinc/69/61/40/956696140.db2.gz DHMNLATXJRXDKJ-ABAIWWIYSA-N -1 0 341.194 3.175 20 30 EGEDRM C[C@@](CNc1nc(C(F)(F)F)ccc1C#N)(C(=O)[O-])c1ccccc1 ZINC001603193735 972299352 /nfs/dbraw/zinc/29/93/52/972299352.db2.gz SPPWVKJGEXPZEK-INIZCTEOSA-N -1 0 349.312 3.426 20 30 EGEDRM C=CC[C@@H](Cc1ccccc1)NC(=O)NCc1cccc(C(=O)[O-])c1 ZINC001588453430 958438064 /nfs/dbraw/zinc/43/80/64/958438064.db2.gz XIKPNMDBIWUCFG-SFHVURJKSA-N -1 0 338.407 3.371 20 30 EGEDRM C=CCCO[C@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1Br ZINC001588460138 958473671 /nfs/dbraw/zinc/47/36/71/958473671.db2.gz WKAHJEXLYBIODV-SECBINFHSA-N -1 0 342.189 3.067 20 30 EGEDRM C=CCN(CCc1ccccc1)C(=O)NCc1ccccc1C(=O)[O-] ZINC001573328124 958496566 /nfs/dbraw/zinc/49/65/66/958496566.db2.gz BFAOQCPWYJDQKQ-UHFFFAOYSA-N -1 0 338.407 3.325 20 30 EGEDRM C=CCc1cc(OC)ccc1OC(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001588470192 958523301 /nfs/dbraw/zinc/52/33/01/958523301.db2.gz GUAXRKQFTFTLFS-VURMDHGXSA-N -1 0 328.320 3.334 20 30 EGEDRM C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001588545353 958994222 /nfs/dbraw/zinc/99/42/22/958994222.db2.gz RHGXCCSVDOKKKV-KGLIPLIRSA-N -1 0 345.399 3.086 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NCC1(c2cccc(F)c2)CCCCC1 ZINC001588556442 959056060 /nfs/dbraw/zinc/05/60/60/959056060.db2.gz DFHOGFZTKMSJHH-GOSISDBHSA-N -1 0 346.402 3.148 20 30 EGEDRM CC(C)(C)CN(CC(=O)[O-])C(=O)C1(c2ccc(C#N)cc2)CCCC1 ZINC001588651431 959770886 /nfs/dbraw/zinc/77/08/86/959770886.db2.gz BUJMSBRAJITGAU-UHFFFAOYSA-N -1 0 342.439 3.329 20 30 EGEDRM CC(C)(C)Oc1ccc(NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)cc1C#N ZINC001588734344 961119141 /nfs/dbraw/zinc/11/91/41/961119141.db2.gz KIDQKEYRTUBTSD-AWEZNQCLSA-N -1 0 332.400 3.421 20 30 EGEDRM C=CCO[C@H]1CCN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC001326813452 961128464 /nfs/dbraw/zinc/12/84/64/961128464.db2.gz XBQGHZDQBBWZMU-INIZCTEOSA-N -1 0 344.436 3.285 20 30 EGEDRM C#CCCOc1ccc(C(=O)NC2(C(=O)[O-])CCC(CC)CC2)cc1 ZINC001573301410 962625835 /nfs/dbraw/zinc/62/58/35/962625835.db2.gz AKATTXPRCIFIPB-UHFFFAOYSA-N -1 0 343.423 3.242 20 30 EGEDRM C#CCOc1cc(F)ccc1NC(=O)Nc1cc(C)cc(C(=O)[O-])c1 ZINC001573311520 962705222 /nfs/dbraw/zinc/70/52/22/962705222.db2.gz SDHNVNXDAULRNM-UHFFFAOYSA-N -1 0 342.326 3.488 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1cc(C)n(Cc2ccco2)c1C)C(=O)[O-] ZINC001354072916 962714965 /nfs/dbraw/zinc/71/49/65/962714965.db2.gz SXOVKMADFDAAOP-KRWDZBQOSA-N -1 0 344.411 3.286 20 30 EGEDRM C=CC(C)(C)CCCNS(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC001573346572 962940705 /nfs/dbraw/zinc/94/07/05/962940705.db2.gz COHJMUJSWJPZFV-FLIBITNWSA-N -1 0 337.441 3.055 20 30 EGEDRM C=CC(C)(C)CCCNC(=O)NCc1ccc(OC)c(C(=O)[O-])c1 ZINC001573347898 962953875 /nfs/dbraw/zinc/95/38/75/962953875.db2.gz PYNKAVMNBRKVOG-UHFFFAOYSA-N -1 0 334.416 3.185 20 30 EGEDRM C=CC[C@@H](C(=O)Nc1ccc2cnn(CC(=O)[O-])c2c1)c1ccccc1 ZINC001573350104 962964168 /nfs/dbraw/zinc/96/41/68/962964168.db2.gz BLIARVVPAITOEW-QGZVFWFLSA-N -1 0 349.390 3.419 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1ccc(OC(F)F)c(Cl)c1)C(=O)[O-] ZINC001573367567 963067183 /nfs/dbraw/zinc/06/71/83/963067183.db2.gz XVMQMFYDHUMIEP-LLVKDONJSA-N -1 0 347.745 3.481 20 30 EGEDRM C#CCCCC(=O)Nc1nc(-c2ccccc2)c(CC(=O)[O-])s1 ZINC001588440314 964036981 /nfs/dbraw/zinc/03/69/81/964036981.db2.gz RHANALLZTYQLCW-UHFFFAOYSA-N -1 0 328.393 3.179 20 30 EGEDRM N#Cc1ccc(CNC(=O)N2CCCC[C@H]2CCC(=O)[O-])cc1Cl ZINC001339863782 969740739 /nfs/dbraw/zinc/74/07/39/969740739.db2.gz BUYGFUKSVWLAMO-AWEZNQCLSA-N -1 0 349.818 3.141 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC(c2cccc(Cl)c2)CC1 ZINC001609691258 970447711 /nfs/dbraw/zinc/44/77/11/970447711.db2.gz GVWKGHGGQMZNSW-QGZVFWFLSA-N -1 0 334.803 3.051 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CC[C@@H](C(F)(F)F)c2ccccc21 ZINC001609691638 970450446 /nfs/dbraw/zinc/45/04/46/970450446.db2.gz ZFZWAGAUSKUSDU-ABAIWWIYSA-N -1 0 340.301 3.074 20 30 EGEDRM N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)CCC(=O)[O-])cc1 ZINC001610627774 970757260 /nfs/dbraw/zinc/75/72/60/970757260.db2.gz GTXNVZICARFRGJ-UHFFFAOYSA-N -1 0 340.354 3.091 20 30 EGEDRM C=CCCC[C@@H](C)NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC000398065738 973062940 /nfs/dbraw/zinc/06/29/40/973062940.db2.gz JHKBLFSFGXLBJJ-SECBINFHSA-N -1 0 349.811 3.200 20 30 EGEDRM CC[C@H](CNC(=O)Nc1cccc(C#Cc2ccccc2)c1)C(=O)[O-] ZINC001603565522 973684311 /nfs/dbraw/zinc/68/43/11/973684311.db2.gz ARTOBGHJEKBCTC-QGZVFWFLSA-N -1 0 336.391 3.319 20 30 EGEDRM N#Cc1ccc(C(=O)N2C[C@H](CCC(=O)[O-])Cc3ccccc32)s1 ZINC001605597509 973901213 /nfs/dbraw/zinc/90/12/13/973901213.db2.gz WIASVSADDSHSLL-GFCCVEGCSA-N -1 0 340.404 3.304 20 30 EGEDRM CC(C)Oc1c(NC(=O)Cc2ccc(C#N)cc2)cccc1C(=O)[O-] ZINC001591741127 975748383 /nfs/dbraw/zinc/74/83/83/975748383.db2.gz ATDDLLDVSAGMJQ-UHFFFAOYSA-N -1 0 338.363 3.225 20 30 EGEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001591759139 975839727 /nfs/dbraw/zinc/83/97/27/975839727.db2.gz VPOMEXNCAOZKNO-UHFFFAOYSA-N -1 0 338.363 3.225 20 30 EGEDRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N1CCC(CC#N)CC1 ZINC001591763266 975866119 /nfs/dbraw/zinc/86/61/19/975866119.db2.gz LCLLGIALQFZMQR-UHFFFAOYSA-N -1 0 345.399 3.330 20 30 EGEDRM CC(C)c1cc(C(=O)N(CC#N)CCC(=O)[O-])c(O)c(C(C)C)c1 ZINC001591925542 976406713 /nfs/dbraw/zinc/40/67/13/976406713.db2.gz AFFVFATYMHITAX-UHFFFAOYSA-N -1 0 332.400 3.079 20 30 EGEDRM CC(C)c1nc(NC(=O)/C=C\c2ccccc2C#N)sc1C(=O)[O-] ZINC001592021410 976714788 /nfs/dbraw/zinc/71/47/88/976714788.db2.gz CNJODOFFGJSMFX-FPLPWBNLSA-N -1 0 341.392 3.488 20 30 EGEDRM CC(C)c1ncsc1C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001592042412 976768621 /nfs/dbraw/zinc/76/86/21/976768621.db2.gz JXVQJQIYMFSNIG-CYBMUJFWSA-N -1 0 330.365 3.121 20 30 EGEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc(C(=O)[O-])no1 ZINC001592226216 977416083 /nfs/dbraw/zinc/41/60/83/977416083.db2.gz VGHVXAMFRFFNDC-SECBINFHSA-N -1 0 331.353 3.019 20 30 EGEDRM C[C@H](CC(=O)N1CCC(C#N)(C(=O)[O-])CC1)Cc1ccc(Cl)cc1 ZINC001592227714 977425827 /nfs/dbraw/zinc/42/58/27/977425827.db2.gz RHYSJQXWLVLCIY-ZDUSSCGKSA-N -1 0 348.830 3.126 20 30 EGEDRM COC(=O)c1ccc(C(C)N=Nc2ccc(C(=O)[O-])cc2OC)cc1 ZINC000756900910 978701211 /nfs/dbraw/zinc/70/12/11/978701211.db2.gz DSRYTJUZTSMDMM-UHFFFAOYSA-N -1 0 342.351 3.016 20 30 EGEDRM O=C([O-])c1cccc(/C=C\C(=O)c2ccc(N3CCCC3=O)cc2)c1 ZINC000765823432 978723873 /nfs/dbraw/zinc/72/38/73/978723873.db2.gz FAXLZHYJASKSRI-WDZFZDKYSA-N -1 0 335.359 3.408 20 30 EGEDRM Cc1cc(Br)cc(CN=Nc2ccc(C(=O)[O-])cn2)c1 ZINC000773080284 978744408 /nfs/dbraw/zinc/74/44/08/978744408.db2.gz UPSGPJPICMXUNQ-UHFFFAOYSA-N -1 0 334.173 3.297 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1NN=Cc1ccnn1-c1ccccc1 ZINC000790296697 978799417 /nfs/dbraw/zinc/79/94/17/978799417.db2.gz BOZIVNANDCPJIJ-UHFFFAOYSA-N -1 0 336.351 3.025 20 30 EGEDRM CC(C)c1nccnc1N=NCc1cn(CC(=O)[O-])c2ccccc12 ZINC000799886935 978844980 /nfs/dbraw/zinc/84/49/80/978844980.db2.gz GQECTUOFDOQJHP-UHFFFAOYSA-N -1 0 337.383 3.085 20 30 EGEDRM CC(C)(C)OC(=O)N1CC[C@@H](CN=Nc2ccccc2C(=O)[O-])C1 ZINC000834936313 979242318 /nfs/dbraw/zinc/24/23/18/979242318.db2.gz WWWVTYDLYQCESW-LBPRGKRZSA-N -1 0 333.388 3.040 20 30 EGEDRM C[C@@](COC(=O)/C=C\c1ccccc1C#N)(C(=O)[O-])c1ccccc1 ZINC001592765267 979369756 /nfs/dbraw/zinc/36/97/56/979369756.db2.gz QKHZZYFEILPPFS-DUQGCJEPSA-N -1 0 335.359 3.157 20 30 EGEDRM C[C@@](COC(=O)c1ccc(C2(C#N)CC2)cc1)(C(=O)[O-])c1ccccc1 ZINC001592771341 979386476 /nfs/dbraw/zinc/38/64/76/979386476.db2.gz CTKPYMVMECDWEX-FQEVSTJZSA-N -1 0 349.386 3.441 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)/C=C/c1csc(C(F)(F)F)c1)C(=O)[O-] ZINC000864188260 979836245 /nfs/dbraw/zinc/83/62/45/979836245.db2.gz RRRPWBUSLKITPV-HMDXOVGESA-N -1 0 333.331 3.316 20 30 EGEDRM C=C(C)C[C@H](NCc1csc(-c2ccc(OC)cc2)n1)C(=O)[O-] ZINC000901679523 980442204 /nfs/dbraw/zinc/44/22/04/980442204.db2.gz PDADPJPGEJDXOY-HNNXBMFYSA-N -1 0 332.425 3.328 20 30 EGEDRM CC(C)C[C@@H](CNC(=O)C1(c2ccc(C#N)cc2)CCCC1)C(=O)[O-] ZINC000901692605 980452992 /nfs/dbraw/zinc/45/29/92/980452992.db2.gz NTFNGJWFINWQDK-INIZCTEOSA-N -1 0 342.439 3.233 20 30 EGEDRM C=C(C)[C@H](CC(=O)NCCc1cc2ccc(C(=O)[O-])cc2o1)OCC ZINC000908222742 981283101 /nfs/dbraw/zinc/28/31/01/981283101.db2.gz XYBZTHUONAMKML-INIZCTEOSA-N -1 0 345.395 3.161 20 30 EGEDRM C#CCOc1ccc(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)cc1 ZINC000908782399 981361478 /nfs/dbraw/zinc/36/14/78/981361478.db2.gz IZUDZJWBLQRCBE-UHFFFAOYSA-N -1 0 327.380 3.062 20 30 EGEDRM CCCC[C@@H](OC(=O)c1c(C)oc(-n2cccc2)c1C#N)C(=O)[O-] ZINC001595651189 982018194 /nfs/dbraw/zinc/01/81/94/982018194.db2.gz RWAAPJRUIGQRQZ-CYBMUJFWSA-N -1 0 330.340 3.051 20 30 EGEDRM CCCCCCCNC(=O)N1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001595704310 982273523 /nfs/dbraw/zinc/27/35/23/982273523.db2.gz DTZCLCHKOCNKSE-GFCCVEGCSA-N -1 0 339.461 3.311 20 30 EGEDRM CCCCCCCNC(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001595704384 982274126 /nfs/dbraw/zinc/27/41/26/982274126.db2.gz JCPMFJPKOQIEBU-IAGOWNOFSA-N -1 0 332.444 3.467 20 30 EGEDRM CCCCOc1ccccc1NC(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001595781325 982562393 /nfs/dbraw/zinc/56/23/93/982562393.db2.gz ZLHZWBURWOTZBB-UHFFFAOYSA-N -1 0 345.399 3.088 20 30 EGEDRM C=CCn1cc2ccc(NC(=O)[C@H]3CCCC[C@H]3C(=O)[O-])cc2n1 ZINC000923211569 982842837 /nfs/dbraw/zinc/84/28/37/982842837.db2.gz OOBSTWJLWBVCSC-LSDHHAIUSA-N -1 0 327.384 3.052 20 30 EGEDRM C=CCO[C@@H]1CCN([C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)C1 ZINC001118320181 982952807 /nfs/dbraw/zinc/95/28/07/982952807.db2.gz UFKKWSOWLRVNIW-RISCZKNCSA-N -1 0 330.211 3.396 20 30 EGEDRM C#C[C@H](NC(=O)Nc1cccc(SCCC(=O)[O-])c1)C(C)(C)C ZINC001588373983 983340995 /nfs/dbraw/zinc/34/09/95/983340995.db2.gz MZEATOBSBQZEQW-AWEZNQCLSA-N -1 0 334.441 3.423 20 30 EGEDRM C#C[C@@H](Nc1nc(C(=O)[O-])ccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC001588376706 983353424 /nfs/dbraw/zinc/35/34/24/983353424.db2.gz WWEHUCSELXPAOB-LLVKDONJSA-N -1 0 331.715 3.128 20 30 EGEDRM C#C[C@@H](NC(=O)c1ccccc1C(=O)[O-])c1ccc(Cl)cc1F ZINC001588377346 983356774 /nfs/dbraw/zinc/35/67/74/983356774.db2.gz KSRVIDILKLYIQG-OAHLLOKOSA-N -1 0 331.730 3.282 20 30 EGEDRM C#CC[C@@H](NC(=O)NCc1ccc(C(=O)[O-])s1)c1ccccc1 ZINC001588407927 983429841 /nfs/dbraw/zinc/42/98/41/983429841.db2.gz RJXLLVATEOWPKE-CQSZACIVSA-N -1 0 328.393 3.010 20 30 EGEDRM C#CCCOc1ccc(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)cc1 ZINC001588455049 983478363 /nfs/dbraw/zinc/47/83/63/983478363.db2.gz BDQCKUDLPBLYKT-UHFFFAOYSA-N -1 0 345.301 3.317 20 30 EGEDRM C#CCN(C(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1)C1CC1 ZINC001588460074 983486648 /nfs/dbraw/zinc/48/66/48/983486648.db2.gz RAYMDVREFANCBH-UHFFFAOYSA-N -1 0 341.411 3.005 20 30 EGEDRM CCN(C(=O)Cc1cccc(C(=O)[O-])c1)[C@@H](C)c1ccc(C#N)cc1 ZINC001596143067 983495671 /nfs/dbraw/zinc/49/56/71/983495671.db2.gz KNJMMLCHHNRHDR-AWEZNQCLSA-N -1 0 336.391 3.409 20 30 EGEDRM CCN(C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC001596157203 983518132 /nfs/dbraw/zinc/51/81/32/983518132.db2.gz ZDZQJIHWWRRSST-JQFCIGGWSA-N -1 0 328.412 3.359 20 30 EGEDRM C#CCOc1ccc([C@@H](C)OC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)cc1 ZINC001588497694 983540453 /nfs/dbraw/zinc/54/04/53/983540453.db2.gz VZAJPCKIJSJAPC-FVQBIDKESA-N -1 0 330.380 3.194 20 30 EGEDRM C#CCOc1ccc(F)cc1NC(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC001588498003 983543048 /nfs/dbraw/zinc/54/30/48/983543048.db2.gz PHDUAAQVRFFAEF-UHFFFAOYSA-N -1 0 327.311 3.097 20 30 EGEDRM C#Cc1ccc(C(=O)Nc2nc(-c3c[nH]c(C(=O)[O-])c3)cs2)cc1 ZINC001588516439 983561262 /nfs/dbraw/zinc/56/12/62/983561262.db2.gz NAKVIPMMWUBGJQ-UHFFFAOYSA-N -1 0 337.360 3.070 20 30 EGEDRM C#Cc1ccc(CNC(=O)Nc2cc(F)c(Cl)c(C(=O)[O-])c2)cc1 ZINC001588517584 983565753 /nfs/dbraw/zinc/56/57/53/983565753.db2.gz WFWVCMYTOMXIQK-UHFFFAOYSA-N -1 0 346.745 3.480 20 30 EGEDRM C#Cc1ccc(NC(=O)c2ccccc2S[C@@H](C)C(=O)[O-])cc1 ZINC001588517721 983566450 /nfs/dbraw/zinc/56/64/50/983566450.db2.gz FXRKEHLZZDVDNN-LBPRGKRZSA-N -1 0 325.389 3.485 20 30 EGEDRM C#Cc1cccc(N(C)C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)c1 ZINC001588522302 983570779 /nfs/dbraw/zinc/57/07/79/983570779.db2.gz OLVNITDROWGKHQ-UHFFFAOYSA-N -1 0 330.290 3.313 20 30 EGEDRM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC001588534935 983587421 /nfs/dbraw/zinc/58/74/21/983587421.db2.gz DCJZGDNFEQNPQC-KMFMINBZSA-N -1 0 346.427 3.053 20 30 EGEDRM C=C(C)C[C@H](NC(=O)Cc1c2ccc(C)cc2oc1C(C)=O)C(=O)[O-] ZINC001588542824 983610054 /nfs/dbraw/zinc/61/00/54/983610054.db2.gz SFSQSJBPWGYJGM-HNNXBMFYSA-N -1 0 343.379 3.022 20 30 EGEDRM C=C(C)Cn1c(C2CC2)nnc1N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC001588591681 983673887 /nfs/dbraw/zinc/67/38/87/983673887.db2.gz LNSDNMQNPHSUPC-CQSZACIVSA-N -1 0 332.448 3.059 20 30 EGEDRM C=C(C)[C@@H]1OCC[C@@H]1C(=O)O[C@@H]1CCCc2cc(C(=O)[O-])ccc21 ZINC001588599440 983690310 /nfs/dbraw/zinc/69/03/10/983690310.db2.gz PYHCQICCOQJIEN-BBWFWOEESA-N -1 0 330.380 3.287 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N1CCC(Cc2cc(F)ccc2F)CC1 ZINC001588613818 983705262 /nfs/dbraw/zinc/70/52/62/983705262.db2.gz FANDVDRTMXHVTB-UHFFFAOYSA-N -1 0 337.366 3.167 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1cnn(-c2ccccc2Cl)c1CC ZINC001588632861 983746640 /nfs/dbraw/zinc/74/66/40/983746640.db2.gz CPUDMYSFXADPOV-UHFFFAOYSA-N -1 0 347.802 3.448 20 30 EGEDRM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@](CC)(C(=O)[O-])c1ccccc1 ZINC001588644148 983768512 /nfs/dbraw/zinc/76/85/12/983768512.db2.gz DPDOJXVYVGVHTC-QKLQHJQFSA-N -1 0 342.439 3.312 20 30 EGEDRM C=C1CCC(CNC(=O)N2CCOc3c(cccc3C(=O)[O-])C2)CC1 ZINC001588649821 983770510 /nfs/dbraw/zinc/77/05/10/983770510.db2.gz GBYYQDCJRPOKDK-UHFFFAOYSA-N -1 0 344.411 3.035 20 30 EGEDRM C=C[C@@H](CC(=O)NC[C@H](C(=O)[O-])c1ccc(F)cc1)c1ccccc1 ZINC001588690486 983874528 /nfs/dbraw/zinc/87/45/28/983874528.db2.gz AGWYMTQYGQPXLK-KSSFIOAISA-N -1 0 341.382 3.470 20 30 EGEDRM C=C[C@H](Nc1ccc(OC)c(NC(=O)c2cccc(F)c2)c1)C(=O)[O-] ZINC001588702010 983917652 /nfs/dbraw/zinc/91/76/52/983917652.db2.gz GAMCDVPXVZXPCB-AWEZNQCLSA-N -1 0 344.342 3.138 20 30 EGEDRM C=C[C@@H](Nc1ccc(OC)c(NC(=O)c2cccc(F)c2)c1)C(=O)[O-] ZINC001588702011 983917687 /nfs/dbraw/zinc/91/76/87/983917687.db2.gz GAMCDVPXVZXPCB-CQSZACIVSA-N -1 0 344.342 3.138 20 30 EGEDRM C=C[C@@H](Nc1cc(Cl)ccc1OC[C@H]1CCCCO1)C(=O)[O-] ZINC001588702180 983918648 /nfs/dbraw/zinc/91/86/48/983918648.db2.gz LRSPJKIIHRZLHL-CHWSQXEVSA-N -1 0 325.792 3.339 20 30 EGEDRM C=CC[C@H](CC)NS(=O)(=O)c1cccc2c(C(=O)[O-])cccc21 ZINC001588735492 984017896 /nfs/dbraw/zinc/01/78/96/984017896.db2.gz BLEPPXKWVLPAOA-LBPRGKRZSA-N -1 0 333.409 3.171 20 30 EGEDRM C=CCC(F)(F)C(=O)O[C@H](C(=O)[O-])c1ccccc1Br ZINC001588743056 984035824 /nfs/dbraw/zinc/03/58/24/984035824.db2.gz QLPJSQFWPSCNQX-JTQLQIEISA-N -1 0 349.127 3.329 20 30 EGEDRM C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC(CC(=O)[O-])CC1 ZINC001588744343 984041932 /nfs/dbraw/zinc/04/19/32/984041932.db2.gz JXAWMXDYJLUHDK-KRWDZBQOSA-N -1 0 330.428 3.070 20 30 EGEDRM C=CC[C@H](Sc1ccc(Br)cc1[N+](=O)[O-])C(=O)[O-] ZINC001588757902 984104184 /nfs/dbraw/zinc/10/41/84/984104184.db2.gz CNEDDCWTOFWDPB-JTQLQIEISA-N -1 0 332.175 3.479 20 30 EGEDRM C=CC[C@H](Sc1nnc(-c2ccco2)n1Cc1ccco1)C(=O)[O-] ZINC001588761736 984114239 /nfs/dbraw/zinc/11/42/39/984114239.db2.gz AVSQPCJWJLTWIR-ZDUSSCGKSA-N -1 0 345.380 3.301 20 30 EGEDRM C=CCC1(C(=O)N2C[C@@H](c3ccc(O)cc3)[C@H](C(=O)[O-])C2)CCCC1 ZINC001588762480 984116221 /nfs/dbraw/zinc/11/62/21/984116221.db2.gz JWJIJZGNTRULSA-DLBZAZTESA-N -1 0 343.423 3.155 20 30 EGEDRM C=CCC1(C(=O)NC[C@@H](Cc2cccc(C)c2)C(=O)[O-])CCCC1 ZINC001588762960 984117871 /nfs/dbraw/zinc/11/78/71/984117871.db2.gz ORHVNDWSOWSBKI-QGZVFWFLSA-N -1 0 329.440 3.491 20 30 EGEDRM C=CCC1(C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)CCCC1 ZINC001588763693 984120160 /nfs/dbraw/zinc/12/01/60/984120160.db2.gz WMAITQJJPMJLJK-DLBZAZTESA-N -1 0 327.424 3.450 20 30 EGEDRM C=CCC1(CNS(=O)(=O)c2c(C)csc2C(=O)[O-])CCCC1 ZINC001588767257 984129472 /nfs/dbraw/zinc/12/94/72/984129472.db2.gz QUDRNJIEDZVUDI-UHFFFAOYSA-N -1 0 343.470 3.170 20 30 EGEDRM C=CCC1(NC(=O)NCc2ccc(C(=O)[O-])c(OC)c2)CCCCC1 ZINC001588767229 984129552 /nfs/dbraw/zinc/12/95/52/984129552.db2.gz PTJXCKBWGIXSHE-UHFFFAOYSA-N -1 0 346.427 3.472 20 30 EGEDRM C=CC[C@H]1CCCC[C@@H]1NC(=O)NC(C)(C)c1cc(C(=O)[O-])on1 ZINC001588770892 984136714 /nfs/dbraw/zinc/13/67/14/984136714.db2.gz KJIFHNJXAOZBQO-RYUDHWBXSA-N -1 0 335.404 3.042 20 30 EGEDRM C=CCC[C@@H](C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21)c1ccccc1 ZINC001588776749 984152941 /nfs/dbraw/zinc/15/29/41/984152941.db2.gz DQUDBJZLJVSSFK-ILOCAZANSA-N -1 0 327.424 3.352 20 30 EGEDRM C=CCCC(C)(C)CNC(=O)N1CCOc2c(cccc2C(=O)[O-])C1 ZINC001588776835 984153500 /nfs/dbraw/zinc/15/35/00/984153500.db2.gz JBUBCNGZLWJFES-UHFFFAOYSA-N -1 0 346.427 3.281 20 30 EGEDRM C=CCCC[C@H](C)NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC001588787051 984185524 /nfs/dbraw/zinc/18/55/24/984185524.db2.gz TVEZAVNMLDZRPW-JTQLQIEISA-N -1 0 331.821 3.061 20 30 EGEDRM C=CCCC[C@H](NC(=O)CCc1ccc2ccccc2c1O)C(=O)[O-] ZINC001588788399 984189505 /nfs/dbraw/zinc/18/95/05/984189505.db2.gz AVWZETDXQOXWQB-KRWDZBQOSA-N -1 0 341.407 3.404 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1cc(Cl)cc2cccnc21)C(=O)[O-] ZINC001588792407 984209240 /nfs/dbraw/zinc/20/92/40/984209240.db2.gz GQOIBCYGPZSKPY-AWEZNQCLSA-N -1 0 332.787 3.428 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001588792803 984213070 /nfs/dbraw/zinc/21/30/70/984213070.db2.gz NSUMAKPPDDKUJF-AWEZNQCLSA-N -1 0 334.372 3.258 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1ncoc1-c1ccc(C)cc1)C(=O)[O-] ZINC001588797700 984230487 /nfs/dbraw/zinc/23/04/87/984230487.db2.gz JRQCPMYWTSLVMR-AWEZNQCLSA-N -1 0 328.368 3.189 20 30 EGEDRM C=CCCCCCCNC(=O)c1cc(C(=O)[O-])nn1-c1ccccc1 ZINC001588798416 984235897 /nfs/dbraw/zinc/23/58/97/984235897.db2.gz DVBZBPMFMTZNOE-UHFFFAOYSA-N -1 0 341.411 3.437 20 30 EGEDRM C=CCCc1ccccc1NC(=O)N1CCSC[C@H](C(=O)[O-])C1 ZINC001588814680 984272020 /nfs/dbraw/zinc/27/20/20/984272020.db2.gz KVFPZIAWXHYODF-CQSZACIVSA-N -1 0 334.441 3.087 20 30 EGEDRM C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H]1CC=C(C(=O)[O-])C1 ZINC001588829359 984313765 /nfs/dbraw/zinc/31/37/65/984313765.db2.gz VNFJUWMNJVYYOM-LLVKDONJSA-N -1 0 340.832 3.273 20 30 EGEDRM C=CCN(Cc1cc(C(=O)[O-])oc1C)Cc1cccc([N+](=O)[O-])c1 ZINC001588832743 984326167 /nfs/dbraw/zinc/32/61/67/984326167.db2.gz OJWKSRBDGATIPK-UHFFFAOYSA-N -1 0 330.340 3.383 20 30 EGEDRM C=CCOc1ccc(COC(=O)/C=C\c2cc(C(=O)[O-])co2)cc1 ZINC001588872744 984442140 /nfs/dbraw/zinc/44/21/40/984442140.db2.gz GNGLHIJDXZEDEW-FPLPWBNLSA-N -1 0 328.320 3.299 20 30 EGEDRM C=CC[S@](=O)(=NC(=O)Cc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC001588878778 984455145 /nfs/dbraw/zinc/45/51/45/984455145.db2.gz IBDHRRZHAIWRSZ-XMMPIXPASA-N -1 0 343.404 3.167 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1cc(C)n(C)c1C ZINC001588885019 984465222 /nfs/dbraw/zinc/46/52/22/984465222.db2.gz JIIPXWCFUSTSAK-UHFFFAOYSA-N -1 0 343.379 3.296 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)Cc1cccs1 ZINC001588885398 984467587 /nfs/dbraw/zinc/46/75/87/984467587.db2.gz QGNMSGWMBVEMNF-UHFFFAOYSA-N -1 0 332.377 3.332 20 30 EGEDRM C=CCc1cccc(F)c1OS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001588886167 984471099 /nfs/dbraw/zinc/47/10/99/984471099.db2.gz BYZDBZVUJZPHFP-UHFFFAOYSA-N -1 0 336.340 3.020 20 30 EGEDRM C=CCn1c(C2CCCCC2)nnc1N1CCC[C@](C)(C(=O)[O-])C1 ZINC001588897602 984511835 /nfs/dbraw/zinc/51/18/35/984511835.db2.gz RZEDFMHDXOTJBD-SFHVURJKSA-N -1 0 332.448 3.203 20 30 EGEDRM C=CCn1c(CCC2CCCCC2)nnc1N1CC[C@](C)(C(=O)[O-])C1 ZINC001588898174 984516387 /nfs/dbraw/zinc/51/63/87/984516387.db2.gz SJNPTQRHGFRSIQ-IBGZPJMESA-N -1 0 346.475 3.278 20 30 EGEDRM C/C(=C/CN(Cc1cccc(C(F)(F)F)c1)[C@@H](C)C#N)C(=O)[O-] ZINC001588958857 984715807 /nfs/dbraw/zinc/71/58/07/984715807.db2.gz SVWSCGDUADRXEO-DSDFTUOUSA-N -1 0 326.318 3.450 20 30 EGEDRM CCOC(=O)Nc1ccc(N[C@@H]2C[C@@H]3C[C@@H](C(=O)[O-])C[C@H]23)cc1C#N ZINC001596667527 984734214 /nfs/dbraw/zinc/73/42/14/984734214.db2.gz YCNOZLGTFWXYLJ-FJXFWJLJSA-N -1 0 343.383 3.038 20 30 EGEDRM CCOC(=O)Nc1ccc(NCc2cc(C(=O)[O-])co2)cc1C#N ZINC001596667523 984734432 /nfs/dbraw/zinc/73/44/32/984734432.db2.gz YACCTBYJYCACCV-UHFFFAOYSA-N -1 0 329.312 3.030 20 30 EGEDRM CC(=NNc1ccc(C)c(C(=O)[O-])c1)c1ccc2[nH]c(=O)oc2c1 ZINC001589016287 984993658 /nfs/dbraw/zinc/99/36/58/984993658.db2.gz BBPJXLVIQQSLNC-UHFFFAOYSA-N -1 0 325.324 3.376 20 30 EGEDRM C[C@]1(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)C[C@@H]1c1ccccc1 ZINC001599937960 985419369 /nfs/dbraw/zinc/41/93/69/985419369.db2.gz RLIPDQVSACNMSI-HLIPFELVSA-N -1 0 335.359 3.421 20 30 EGEDRM Cc1c(C#N)cccc1C(=O)Nc1ccc(OCCCC(=O)[O-])cc1 ZINC001599973416 986047916 /nfs/dbraw/zinc/04/79/16/986047916.db2.gz SAPSPEHAYDXUAW-UHFFFAOYSA-N -1 0 338.363 3.363 20 30 EGEDRM Cc1c(C(=O)[O-])cc(C=NNc2ccccc2C(F)(F)F)n1C ZINC001599984102 986205804 /nfs/dbraw/zinc/20/58/04/986205804.db2.gz AJOKSUVRXFGJJM-UHFFFAOYSA-N -1 0 325.290 3.497 20 30 EGEDRM C[C@H]1CN(C(=O)c2ccccc2-c2ccccc2C#N)CC[C@H]1C(=O)[O-] ZINC001589391566 986509828 /nfs/dbraw/zinc/50/98/28/986509828.db2.gz ACRJDEQBGDLADT-GOEBONIOSA-N -1 0 348.402 3.408 20 30 EGEDRM CCOc1ccc(C=NOCc2cc(C(=O)[O-])c(C)o2)cc1OC ZINC001597082295 986634703 /nfs/dbraw/zinc/63/47/03/986634703.db2.gz GQRXYHRFACBOKC-UHFFFAOYSA-N -1 0 333.340 3.244 20 30 EGEDRM C[C@H]1OCC[C@H]1C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC001594645500 986839024 /nfs/dbraw/zinc/83/90/24/986839024.db2.gz SKQLGBULLCPWJK-AUUYWEPGSA-N -1 0 349.386 3.148 20 30 EGEDRM C[C@@H]1OCC[C@@H]1C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC001594645503 986839416 /nfs/dbraw/zinc/83/94/16/986839416.db2.gz SKQLGBULLCPWJK-LIRRHRJNSA-N -1 0 349.386 3.148 20 30 EGEDRM CCOc1cccc(/C=N/[C@H](Cc2ccc(F)cc2)C(=O)[O-])c1O ZINC001597150121 986924215 /nfs/dbraw/zinc/92/42/15/986924215.db2.gz PCMGNCBUPMAAKV-PZUDMAOCSA-N -1 0 331.343 3.045 20 30 EGEDRM CC(C)(C(=O)[O-])[C@@H]1CCCN(c2nc3cc(Cl)ccn3c2C#N)C1 ZINC001589616921 987486654 /nfs/dbraw/zinc/48/66/54/987486654.db2.gz JYIDAHORALXKSB-LLVKDONJSA-N -1 0 346.818 3.187 20 30 EGEDRM CC(C)(C(=O)[O-])c1csc(NC(=O)[C@H](CC#N)c2ccccc2)n1 ZINC001589649223 987586936 /nfs/dbraw/zinc/58/69/36/987586936.db2.gz MVVDSRQBJZHBOT-GFCCVEGCSA-N -1 0 343.408 3.141 20 30 EGEDRM CCc1cc(C(=O)[O-])c(NC(=O)CCc2ccc(C#N)cc2)s1 ZINC001597441076 987801870 /nfs/dbraw/zinc/80/18/70/987801870.db2.gz PINGOZDMBJPZOL-UHFFFAOYSA-N -1 0 328.393 3.452 20 30 EGEDRM CCc1ccc(C#CC(=O)Nc2ccc(CC(=O)[O-])c(F)c2)cc1 ZINC001597494958 988040452 /nfs/dbraw/zinc/04/04/52/988040452.db2.gz MRPAMHOOXDZBJO-UHFFFAOYSA-N -1 0 325.339 3.005 20 30 EGEDRM CSc1cc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)ccc1F ZINC001599807930 988285642 /nfs/dbraw/zinc/28/56/42/988285642.db2.gz XVFXNQDORAOTEZ-HNNXBMFYSA-N -1 0 345.351 3.402 20 30 EGEDRM CC(C)(C)c1ccc(C#N)c(NCCc2ncc(C(=O)[O-])s2)n1 ZINC001590472129 990043746 /nfs/dbraw/zinc/04/37/46/990043746.db2.gz KDYBUAKGROVVQX-UHFFFAOYSA-N -1 0 330.413 3.060 20 30 EGEDRM CC(C)CCc1ccc(NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)cc1 ZINC001591266896 992183345 /nfs/dbraw/zinc/18/33/45/992183345.db2.gz VAXYYLIMVDJTTL-UHFFFAOYSA-N -1 0 343.427 3.497 20 30 EGEDRM CC(C)C[C@H](NC(=O)c1cn(CCCC#N)c2ccccc12)C(=O)[O-] ZINC001591471560 992585154 /nfs/dbraw/zinc/58/51/54/992585154.db2.gz ZAVXKOIJTRFBOL-INIZCTEOSA-N -1 0 341.411 3.174 20 30 EGEDRM COC(=O)[C@H](Sc1cccc(F)c1C#N)c1cccc(C(=O)[O-])c1 ZINC001598713701 995378210 /nfs/dbraw/zinc/37/82/10/995378210.db2.gz XGFGFDRAUNOTDZ-OAHLLOKOSA-N -1 0 345.351 3.402 20 30 EGEDRM C[C@H](Oc1ccccc1C#N)C(=O)Oc1cc(Cl)ccc1C(=O)[O-] ZINC001593641343 995950976 /nfs/dbraw/zinc/95/09/76/995950976.db2.gz GQWDRTHWPBRRRD-JTQLQIEISA-N -1 0 345.738 3.283 20 30 EGEDRM CC1(C#N)CCN(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)CC1 ZINC001593742667 996361843 /nfs/dbraw/zinc/36/18/43/996361843.db2.gz CSEQDSBXJKTJMP-LSDHHAIUSA-N -1 0 327.384 3.032 20 30 EGEDRM CC1(C)CC(CNC(=O)N2CCC(C#N)(C(=O)[O-])CC2)CC(C)(C)C1 ZINC001593854160 996635438 /nfs/dbraw/zinc/63/54/38/996635438.db2.gz SDBWZRITFWBEPQ-UHFFFAOYSA-N -1 0 349.475 3.239 20 30 EGEDRM COc1ccc(/C=C\C(=O)[O-])cc1OC(=O)/C=C\c1ccccc1C#N ZINC001599544879 997906705 /nfs/dbraw/zinc/90/67/05/997906705.db2.gz VFVNXOGUXKAPFN-DEFDFUCDSA-N -1 0 349.342 3.283 20 30 EGEDRM COc1ccc(/C=C/C(=O)[O-])cc1OCCOc1ccc(C#N)cc1 ZINC001599547568 997949893 /nfs/dbraw/zinc/94/98/93/997949893.db2.gz VNAJISJOQVGGLO-WEVVVXLNSA-N -1 0 339.347 3.122 20 30 EGEDRM COc1cc(Oc2ncc(Br)cc2C#N)ccc1C(=O)[O-] ZINC001599458347 998227176 /nfs/dbraw/zinc/22/71/76/998227176.db2.gz ZNRDQZUVFPMUEM-UHFFFAOYSA-N -1 0 349.140 3.215 20 30 EGEDRM COCCOc1ccccc1/C=C\C(=O)c1cc(C(=O)[O-])cs1 ZINC001599260639 998379149 /nfs/dbraw/zinc/37/91/49/998379149.db2.gz STUIVCHYHLVRGP-SREVYHEPSA-N -1 0 332.377 3.368 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2c(Cl)cccc2Cl)C(=O)O1 ZINC000003543733 210049855 /nfs/dbraw/zinc/04/98/55/210049855.db2.gz LLFYPUWVVHUJBB-VBROQKIQSA-N -1 0 325.147 3.222 20 30 EGEDRM N#Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccnc1Cl ZINC000037981193 213180912 /nfs/dbraw/zinc/18/09/12/213180912.db2.gz QHVLFSNMXHMOEZ-UHFFFAOYSA-N -1 0 328.180 3.061 20 30 EGEDRM CCOCc1cc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)ccc1OC ZINC000193614328 240232111 /nfs/dbraw/zinc/23/21/11/240232111.db2.gz VOCFIGLWYAHGLW-XYOKQWHBSA-N -1 0 339.395 3.056 20 30 EGEDRM C=C(C)C[C@H](C)C(=O)N[C@@H](C(=O)[O-])c1ccc(OC)c(Cl)c1 ZINC000263209526 245361511 /nfs/dbraw/zinc/36/15/11/245361511.db2.gz ZMKLPEOCOVNDMK-IINYFYTJSA-N -1 0 325.792 3.193 20 30 EGEDRM N#Cc1cccc(CCNC(=O)CC2(C(=O)[O-])CCCCCC2)c1 ZINC000344553485 141172725 /nfs/dbraw/zinc/17/27/25/141172725.db2.gz OUBUREJRONTLAO-UHFFFAOYSA-N -1 0 328.412 3.032 20 30 EGEDRM C[C@@](CC(=O)Nc1ccc(C#N)cc1F)(C(=O)[O-])c1ccccc1 ZINC000325397676 154178980 /nfs/dbraw/zinc/17/89/80/154178980.db2.gz FIGAIFAGRWSSME-SFHVURJKSA-N -1 0 326.327 3.068 20 30 EGEDRM COc1cc(Cl)c(Cl)cc1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000340997476 155120419 /nfs/dbraw/zinc/12/04/19/155120419.db2.gz QRPGZZIAZROZOZ-UHFFFAOYSA-N -1 0 347.179 3.267 20 30 EGEDRM Cc1ccc(-c2ncccc2[N-]S(=O)(=O)c2ccc(C#N)o2)s1 ZINC000341000513 155121358 /nfs/dbraw/zinc/12/13/58/155121358.db2.gz WZVZEXDRTDCKQW-UHFFFAOYSA-N -1 0 345.405 3.384 20 30 EGEDRM COc1ccc2nc(/C=C/c3nc(C(=O)[O-])ccc3C#N)sc2c1 ZINC000352332162 165347342 /nfs/dbraw/zinc/34/73/42/165347342.db2.gz YEOXHFHCUMYITJ-VOTSOKGWSA-N -1 0 337.360 3.440 20 30 EGEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2scnc2C2CC2)c1 ZINC000359037018 167046194 /nfs/dbraw/zinc/04/61/94/167046194.db2.gz PSFOJTHYSBRYMQ-UHFFFAOYSA-N -1 0 339.829 3.346 20 30 EGEDRM CCc1noc(=NCc2cccc(OCc3cccc(C#N)c3)c2)[n-]1 ZINC000431013775 270050054 /nfs/dbraw/zinc/05/00/54/270050054.db2.gz GXEMKXKDRITFCQ-UHFFFAOYSA-N -1 0 334.379 3.117 20 30 EGEDRM CCOC(=O)c1c(C)c(C)sc1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000527489895 267134326 /nfs/dbraw/zinc/13/43/26/267134326.db2.gz DBZHGHJMJWSUTP-UHFFFAOYSA-N -1 0 344.392 3.371 20 30 EGEDRM CC[C@@H](Sc1ccccc1)C(=O)N=c1[n-]n(C(C)(C)C)cc1C#N ZINC000415259546 267199237 /nfs/dbraw/zinc/19/92/37/267199237.db2.gz UZRCRBBODFRDMM-OAHLLOKOSA-N -1 0 342.468 3.441 20 30 EGEDRM Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCC(=O)[O-] ZINC000179078393 267352235 /nfs/dbraw/zinc/35/22/35/267352235.db2.gz FLDQVFICXCXLOE-UHFFFAOYSA-N -1 0 338.363 3.249 20 30 EGEDRM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C)cc1Cl ZINC000439244993 267355258 /nfs/dbraw/zinc/35/52/58/267355258.db2.gz JCEXVDKAIRUCEC-UHFFFAOYSA-N -1 0 335.816 3.363 20 30 EGEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)c1ccccc1C(C)C ZINC000530325540 267566901 /nfs/dbraw/zinc/56/69/01/267566901.db2.gz YTEUOKXCNJVGIT-UHFFFAOYSA-N -1 0 330.409 3.491 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2ccnn2[C@H](C)CC(C)C)ccc1C#N ZINC000446807827 268019572 /nfs/dbraw/zinc/01/95/72/268019572.db2.gz FOXRIXTWNFULFP-CQSZACIVSA-N -1 0 346.456 3.471 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2cc(Br)ccc2F)cc1[O-] ZINC000188356523 268046193 /nfs/dbraw/zinc/04/61/93/268046193.db2.gz GQXMXIHZRWVPKI-UHFFFAOYSA-N -1 0 335.132 3.418 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2c(F)cccc2N2CCCC2)cc1[O-] ZINC000188498267 268046372 /nfs/dbraw/zinc/04/63/72/268046372.db2.gz QPUJDATXJPHEJI-UHFFFAOYSA-N -1 0 325.343 3.255 20 30 EGEDRM N#Cc1ccc(C(=O)[O-])nc1/C=C/c1cc(O)ccc1Br ZINC000178989708 268047833 /nfs/dbraw/zinc/04/78/33/268047833.db2.gz HXXKQAJBXDVINL-ORCRQEGFSA-N -1 0 345.152 3.290 20 30 EGEDRM Cc1nc2ccc([N-]S(=O)(=O)c3ccc(C#N)s3)cc2s1 ZINC000435479558 268080283 /nfs/dbraw/zinc/08/02/83/268080283.db2.gz CJJJLNRRNJYJAE-UHFFFAOYSA-N -1 0 335.435 3.339 20 30 EGEDRM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc2ccoc2c1 ZINC000442849910 268167495 /nfs/dbraw/zinc/16/74/95/268167495.db2.gz OLJQSMZFSGYUDZ-UHFFFAOYSA-N -1 0 343.320 3.013 20 30 EGEDRM Cc1cc(F)cc2c1ncc(C#N)c2N1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC000263086065 301307070 /nfs/dbraw/zinc/30/70/70/301307070.db2.gz BSPFEQJTZKCWMO-CMPLNLGQSA-N -1 0 327.359 3.101 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2)c(F)c1 ZINC000150749845 307722810 /nfs/dbraw/zinc/72/28/10/307722810.db2.gz RDBNZRFISTYCFT-UHFFFAOYSA-N -1 0 328.727 3.291 20 30 EGEDRM Cn1cc(C#N)c(=NC(=O)C23CC4(C)CC(C)(CC(C)(C4)C2)C3)[n-]1 ZINC000548519868 315021513 /nfs/dbraw/zinc/02/15/13/315021513.db2.gz HFFVQDXBECYTAP-UHFFFAOYSA-N -1 0 326.444 3.039 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2cccc3c2ccn3C)ccc1C#N ZINC000565635447 316348863 /nfs/dbraw/zinc/34/88/63/316348863.db2.gz UWINWSMGCVVUBT-UHFFFAOYSA-N -1 0 325.393 3.159 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(C3CCCCCC3)[nH]n2)o1 ZINC000571718857 317236634 /nfs/dbraw/zinc/23/66/34/317236634.db2.gz MCZNYNCBAVSDGM-UHFFFAOYSA-N -1 0 334.401 3.113 20 30 EGEDRM N#CCc1cccc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])c1 ZINC000180786015 455244807 /nfs/dbraw/zinc/24/48/07/455244807.db2.gz VGDJGZRDCPYSIE-UHFFFAOYSA-N -1 0 331.715 3.272 20 30 EGEDRM C=CCOc1ccccc1CNC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000238069191 455251127 /nfs/dbraw/zinc/25/11/27/455251127.db2.gz KFWUIUJRPBOTDS-UHFFFAOYSA-N -1 0 339.391 3.199 20 30 EGEDRM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)c3cscn3)c2)c1 ZINC000238200641 455258399 /nfs/dbraw/zinc/25/83/99/455258399.db2.gz TXTXLCWRVUZROE-UHFFFAOYSA-N -1 0 348.383 3.493 20 30 EGEDRM CC(C)OCc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2F)c1 ZINC000158091975 455268684 /nfs/dbraw/zinc/26/86/84/455268684.db2.gz FYOGZKXCHUKWRT-UHFFFAOYSA-N -1 0 348.399 3.423 20 30 EGEDRM Cc1ncc(-c2ccc([N-]S(=O)(=O)c3ccccc3C#N)cc2)o1 ZINC000026540115 453802786 /nfs/dbraw/zinc/80/27/86/453802786.db2.gz IDWUORQEEQKJJY-UHFFFAOYSA-N -1 0 339.376 3.323 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)N[C@@H](c2ccccc2)C2CC2)cc1C#N ZINC000031913328 453857643 /nfs/dbraw/zinc/85/76/43/453857643.db2.gz OSLZUNJHSGMLBC-HNNXBMFYSA-N -1 0 339.420 3.262 20 30 EGEDRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccn(CCC#N)n2)cc1 ZINC000075081703 453858192 /nfs/dbraw/zinc/85/81/92/453858192.db2.gz AMTVWDLGQVSBQY-UHFFFAOYSA-N -1 0 346.456 3.285 20 30 EGEDRM Cc1ccc(-c2cc(C(=O)[N-]c3n[nH]c(-c4ccccn4)n3)on2)cc1 ZINC000053527137 453884189 /nfs/dbraw/zinc/88/41/89/453884189.db2.gz VVEQSCAVHMQQRD-UHFFFAOYSA-N -1 0 346.350 3.466 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)N(C)Cc2sccc2C)cc1C#N ZINC000075815410 453929027 /nfs/dbraw/zinc/92/90/27/453929027.db2.gz KPPNERKIRHCZSO-UHFFFAOYSA-N -1 0 333.438 3.023 20 30 EGEDRM O=C(C=Cc1cscn1)[N-]S(=O)(=O)Cc1ccccc1Cl ZINC000083791303 453960200 /nfs/dbraw/zinc/96/02/00/453960200.db2.gz ZAVUPEHNVNAOMV-AATRIKPKSA-N -1 0 342.829 3.296 20 30 EGEDRM N#CC(=C([O-])c1cccc(N2CCCC2=O)c1)c1nc2ccccc2o1 ZINC000041543714 453971767 /nfs/dbraw/zinc/97/17/67/453971767.db2.gz UEXNRFQVLCRMDX-OAHLLOKOSA-N -1 0 345.358 3.445 20 30 EGEDRM Cc1c(C([O-])=C(C#N)c2cc(C)nc(C)n2)cnn1-c1cccc(C)c1 ZINC000041560618 453971873 /nfs/dbraw/zinc/97/18/73/453971873.db2.gz WKZSPIKVRARXJJ-KRWDZBQOSA-N -1 0 345.406 3.386 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2c(C)noc2C(C)C)n1 ZINC000067893845 453978237 /nfs/dbraw/zinc/97/82/37/453978237.db2.gz ACVNPAKMCAJTKW-SNVBAGLBSA-N -1 0 347.396 3.230 20 30 EGEDRM CC(C)C(=O)[N-]S(=O)(=O)c1cc(Cl)c(Br)s1 ZINC000084370617 453986196 /nfs/dbraw/zinc/98/61/96/453986196.db2.gz RAVKZICXQJLZQY-UHFFFAOYSA-N -1 0 346.655 3.465 20 30 EGEDRM C[C@H](C#N)CN(C)C(=O)c1cc(Cl)cc(Br)c1[O-] ZINC000084385069 453987012 /nfs/dbraw/zinc/98/70/12/453987012.db2.gz ZOJWHHRTWJPHQH-SSDOTTSWSA-N -1 0 331.597 3.040 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)C=CC2CC2)cc1C(F)(F)F ZINC000076760199 454034687 /nfs/dbraw/zinc/03/46/87/454034687.db2.gz BVASIFCVIVCGGE-ZZXKWVIFSA-N -1 0 344.314 3.188 20 30 EGEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccccc1OC(F)F ZINC000076935565 454049870 /nfs/dbraw/zinc/04/98/70/454049870.db2.gz FCWUMUWAYAOYSC-UHFFFAOYSA-N -1 0 338.335 3.269 20 30 EGEDRM COc1cccc(S(=O)(=O)[N-]C(=O)COc2c(C)cccc2C)c1 ZINC000058186341 454169467 /nfs/dbraw/zinc/16/94/67/454169467.db2.gz XHQRYEXBHWLNMH-UHFFFAOYSA-N -1 0 349.408 3.036 20 30 EGEDRM C[C@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCCO3)C1 ZINC000091125628 454387491 /nfs/dbraw/zinc/38/74/91/454387491.db2.gz RTFPNCHCNXDRAS-GXTWGEPZSA-N -1 0 337.441 3.483 20 30 EGEDRM Cc1nn(C)cc1C([O-])=C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000073089202 454392882 /nfs/dbraw/zinc/39/28/82/454392882.db2.gz GGCFIBXPCOWZNY-SNVBAGLBSA-N -1 0 330.800 3.482 20 30 EGEDRM Cc1ccc(N(CCC#N)C(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1 ZINC000097097234 454405090 /nfs/dbraw/zinc/40/50/90/454405090.db2.gz SZEASMZHSOSJQW-UHFFFAOYSA-N -1 0 325.324 3.169 20 30 EGEDRM Cc1ncsc1C([O-])=C(C#N)c1nc(-c2ccncc2)cs1 ZINC000121511249 454444892 /nfs/dbraw/zinc/44/48/92/454444892.db2.gz LVSLWJXYXUHIMS-NSHDSACASA-N -1 0 326.406 3.460 20 30 EGEDRM CCC(CC)S(=O)(=O)[N-]C(=O)C=Cc1ccc(F)cc1[N+](=O)[O-] ZINC000073837562 454489783 /nfs/dbraw/zinc/48/97/83/454489783.db2.gz BBQMECWISFHESL-SOFGYWHQSA-N -1 0 344.364 3.222 20 30 EGEDRM Cc1ccc(-c2ccc(C([O-])=C(C#N)C(=O)c3nccn3C)s2)o1 ZINC000102076431 454493468 /nfs/dbraw/zinc/49/34/68/454493468.db2.gz AOFPMUAKDMFBBJ-LLVKDONJSA-N -1 0 339.376 3.255 20 30 EGEDRM COc1ccc(C#N)cc1NC(=O)CC1(CC(=O)[O-])CCCCC1 ZINC000064611659 454494084 /nfs/dbraw/zinc/49/40/84/454494084.db2.gz BCMGNFZJZBOLDK-UHFFFAOYSA-N -1 0 330.384 3.321 20 30 EGEDRM CSc1ccc(C(O)=C(C#N)c2nnc3n2CCCCC3)cc1 ZINC000122083501 454507851 /nfs/dbraw/zinc/50/78/51/454507851.db2.gz YYHMGNUQWGAELQ-CQSZACIVSA-N -1 0 326.425 3.216 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)N[C@H](C)c2ccc(C)cc2)cc1C#N ZINC000074365280 454571475 /nfs/dbraw/zinc/57/14/75/454571475.db2.gz IGCGJWZCURKMAF-LLVKDONJSA-N -1 0 327.409 3.180 20 30 EGEDRM CCCC1CCC(NC(=O)c2cc(C#N)c(SC)[n-]c2=O)CC1 ZINC000065680964 454610964 /nfs/dbraw/zinc/61/09/64/454610964.db2.gz DNJSQUAKRHEIJH-UHFFFAOYSA-N -1 0 333.457 3.469 20 30 EGEDRM COc1ccc(OC(C)C)c([N-]S(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000106722778 454714803 /nfs/dbraw/zinc/71/48/03/454714803.db2.gz CDGBFVOGRAQEAY-UHFFFAOYSA-N -1 0 346.408 3.155 20 30 EGEDRM Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000165146232 454895373 /nfs/dbraw/zinc/89/53/73/454895373.db2.gz OLQDTOMQZDWDLL-UHFFFAOYSA-N -1 0 349.343 3.023 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2O)cc1Cl ZINC000150855637 454903142 /nfs/dbraw/zinc/90/31/42/454903142.db2.gz MYCKMMIAXXHWJU-UHFFFAOYSA-N -1 0 343.191 3.371 20 30 EGEDRM CC(C)(C)c1[n-]n(Cc2c(F)cccc2[N+](=O)[O-])c(=O)c1CCC#N ZINC000178936651 454991523 /nfs/dbraw/zinc/99/15/23/454991523.db2.gz NJBCIZWQBMNLMC-UHFFFAOYSA-N -1 0 346.362 3.438 20 30 EGEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(F)c(C)c1 ZINC000170933163 455001516 /nfs/dbraw/zinc/00/15/16/455001516.db2.gz FHRLIYYTPRDMHK-UHFFFAOYSA-N -1 0 334.372 3.205 20 30 EGEDRM CC(C)c1csc(C(C#N)=C([O-])c2ccc(N3CCCC3)nn2)n1 ZINC000155618762 455023019 /nfs/dbraw/zinc/02/30/19/455023019.db2.gz UTCUOQIJQPJWAJ-GFCCVEGCSA-N -1 0 341.440 3.147 20 30 EGEDRM COC(=O)Nc1cccc(C([O-])=C(C#N)c2nc3ccccc3o2)c1 ZINC000171402855 455067313 /nfs/dbraw/zinc/06/73/13/455067313.db2.gz RGRHFPAMJFLBAX-ZDUSSCGKSA-N -1 0 335.319 3.496 20 30 EGEDRM C=CCSCCNS(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000171423851 455069365 /nfs/dbraw/zinc/06/93/65/455069365.db2.gz HBPVIASHVFJKII-UHFFFAOYSA-N -1 0 343.367 3.042 20 30 EGEDRM COCc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000183006955 455208644 /nfs/dbraw/zinc/20/86/44/455208644.db2.gz CVPRQIPATHIXLX-UHFFFAOYSA-N -1 0 336.800 3.159 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)c2nc3ccccc3o2)ccc1-n1cncn1 ZINC000174014639 455351629 /nfs/dbraw/zinc/35/16/29/455351629.db2.gz FOKSMPVIKWFOHE-CQSZACIVSA-N -1 0 343.346 3.207 20 30 EGEDRM COCc1nc(C)c(C([O-])=C(C#N)c2cnc3ccccc3n2)s1 ZINC000190885586 455397718 /nfs/dbraw/zinc/39/77/18/455397718.db2.gz TWXWJKJDHKMCMP-LLVKDONJSA-N -1 0 338.392 3.031 20 30 EGEDRM COC(=O)Nc1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)cc1 ZINC000190937434 455409808 /nfs/dbraw/zinc/40/98/08/455409808.db2.gz DVOADIKVOXNCHC-CQSZACIVSA-N -1 0 346.346 3.298 20 30 EGEDRM Cc1cc(S(=O)(=O)N[C@]2(C#N)CCC[C@H](C)C2)c(F)cc1F ZINC000182012784 455416088 /nfs/dbraw/zinc/41/60/88/455416088.db2.gz TYYIBBSBPPTCFY-ZUZCIYMTSA-N -1 0 328.384 3.024 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2nc(C3CCC3)cs2)ccc1C#N ZINC000278314042 455814624 /nfs/dbraw/zinc/81/46/24/455814624.db2.gz FLHOJFVFPZMPPW-UHFFFAOYSA-N -1 0 333.438 3.392 20 30 EGEDRM N#CCc1ccc([N-]S(=O)(=O)c2ccccc2OC(F)F)cc1 ZINC000195441384 455961082 /nfs/dbraw/zinc/96/10/82/455961082.db2.gz YYHYPORTUOLGKP-UHFFFAOYSA-N -1 0 338.335 3.155 20 30 EGEDRM N#Cc1ccc(N2CCC[C@H](CCC(=O)[O-])C2)c(Br)c1 ZINC000213280006 456024050 /nfs/dbraw/zinc/02/40/50/456024050.db2.gz XTWWGAVXEBEOFY-LLVKDONJSA-N -1 0 337.217 3.402 20 30 EGEDRM COc1cccc2sc(NC(=O)c3ccc(C#N)c([O-])c3)nc21 ZINC000188231360 456026255 /nfs/dbraw/zinc/02/62/55/456026255.db2.gz QKBSNJXICXGFPJ-UHFFFAOYSA-N -1 0 325.349 3.134 20 30 EGEDRM C=CCN(CCc1ccccc1)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000263478022 456153436 /nfs/dbraw/zinc/15/34/36/456153436.db2.gz NDSVXGGZODKFAN-UHFFFAOYSA-N -1 0 330.428 3.070 20 30 EGEDRM C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000263486487 456156860 /nfs/dbraw/zinc/15/68/60/456156860.db2.gz MVLAGKKVSZCUHV-OLZOCXBDSA-N -1 0 347.440 3.267 20 30 EGEDRM C=CCCO[C@H](C)C(=O)[N-]OCc1ccc(F)cc1Br ZINC000188923175 456172081 /nfs/dbraw/zinc/17/20/81/456172081.db2.gz BOSWOAVTGMHUPM-SNVBAGLBSA-N -1 0 346.196 3.117 20 30 EGEDRM CC1(C)CCCN(C(=O)c2cnc3c(Cl)cccc3c2O)[C@@H]1C#N ZINC000343111175 456411659 /nfs/dbraw/zinc/41/16/59/456411659.db2.gz GAABXXDRPIISDE-CQSZACIVSA-N -1 0 343.814 3.336 20 30 EGEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000343274206 456501498 /nfs/dbraw/zinc/50/14/98/456501498.db2.gz KEJJRVDZCKKDGW-UHFFFAOYSA-N -1 0 340.763 3.160 20 30 EGEDRM CCS[C@@H]1CCC[C@H](NC(=O)N=c2ccc(OC(C)C)n[n-]2)C1 ZINC000330012982 456974410 /nfs/dbraw/zinc/97/44/10/456974410.db2.gz LLEWWGBNBZTGHL-QWHCGFSZSA-N -1 0 338.477 3.076 20 30 EGEDRM N#CCCCOc1cccc(CN=c2[n-]nc(Cc3ccccc3)o2)c1 ZINC000359304994 457072948 /nfs/dbraw/zinc/07/29/48/457072948.db2.gz LLZCIZILNYKBTR-UHFFFAOYSA-N -1 0 348.406 3.377 20 30 EGEDRM C=CCN=c1[n-]nc(SCc2ccn(-c3ccccc3)n2)s1 ZINC000354190015 457120845 /nfs/dbraw/zinc/12/08/45/457120845.db2.gz JPNLKJWSEIDSCK-UHFFFAOYSA-N -1 0 329.454 3.036 20 30 EGEDRM Cc1cc([N-]S(=O)(=O)c2csc3ccccc32)nn1CCC#N ZINC000350900267 457211000 /nfs/dbraw/zinc/21/10/00/457211000.db2.gz XERSFPSYEAELBW-UHFFFAOYSA-N -1 0 346.437 3.121 20 30 EGEDRM N#CC(=C([O-])c1csc(Cc2ccccc2F)n1)c1ccncn1 ZINC000354461194 457238498 /nfs/dbraw/zinc/23/84/98/457238498.db2.gz GVVBHTDYTNULBT-LBPRGKRZSA-N -1 0 338.367 3.153 20 30 EGEDRM CCCc1c(C([O-])=C(C#N)c2ccncn2)cnn1-c1ccccc1 ZINC000354472876 457245885 /nfs/dbraw/zinc/24/58/85/457245885.db2.gz VQESQQIEVVQZCA-HNNXBMFYSA-N -1 0 331.379 3.105 20 30 EGEDRM Cc1nc([N-]S(=O)(=O)c2ccccc2C)sc1SCC#N ZINC000340041125 457323509 /nfs/dbraw/zinc/32/35/09/457323509.db2.gz MGZMHKMTQDJCIB-UHFFFAOYSA-N -1 0 339.467 3.176 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(C(C)C)cn2)n1 ZINC000354963081 457331981 /nfs/dbraw/zinc/33/19/81/457331981.db2.gz FUODTMDVNJXFSV-GFCCVEGCSA-N -1 0 343.408 3.328 20 30 EGEDRM N#Cc1ccccc1[N-]S(=O)(=O)c1cnc2ccc(F)cc2c1 ZINC000342496305 457334487 /nfs/dbraw/zinc/33/44/87/457334487.db2.gz VPSFJJQCYJDEES-UHFFFAOYSA-N -1 0 327.340 3.046 20 30 EGEDRM Cc1[n-][nH]c(=NC(=O)c2sc(C3CC3)nc2-c2ccccc2)c1C#N ZINC000357257371 457403564 /nfs/dbraw/zinc/40/35/64/457403564.db2.gz MFYZHKHRQMXFGZ-UHFFFAOYSA-N -1 0 349.419 3.265 20 30 EGEDRM CC(C)(C#N)c1ccc(C(=O)Nc2cccc(-c3n[nH]c(=O)[n-]3)c2)cc1 ZINC000356001853 457439129 /nfs/dbraw/zinc/43/91/29/457439129.db2.gz PRIBTXXFVFRBDM-UHFFFAOYSA-N -1 0 347.378 3.231 20 30 EGEDRM CC(C)Oc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000357341003 457459035 /nfs/dbraw/zinc/45/90/35/457459035.db2.gz JSPOIMPXZKLNCB-UHFFFAOYSA-N -1 0 340.788 3.393 20 30 EGEDRM Cc1nc2ccc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C)cc2n1C ZINC000361656504 457813045 /nfs/dbraw/zinc/81/30/45/457813045.db2.gz SRWFBOJBWWEOHQ-CQSZACIVSA-N -1 0 343.390 3.259 20 30 EGEDRM N#CCCCOc1cccc(CN[C@H](C(=O)[O-])c2ccsc2)c1 ZINC000426828258 457912424 /nfs/dbraw/zinc/91/24/24/457912424.db2.gz KNFZBGBXNZJYHF-INIZCTEOSA-N -1 0 330.409 3.346 20 30 EGEDRM Cc1nc(C(F)(F)F)sc1C([O-])=C(C#N)c1cc(C)nc(C)n1 ZINC000361960878 457980509 /nfs/dbraw/zinc/98/05/09/457980509.db2.gz YZGYHANJJNVDRR-VIFPVBQESA-N -1 0 340.330 3.367 20 30 EGEDRM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1ccc(F)c(C#N)c1 ZINC000434632772 458025273 /nfs/dbraw/zinc/02/52/73/458025273.db2.gz AKHBHNRCQRWVQV-UHFFFAOYSA-N -1 0 334.372 3.124 20 30 EGEDRM C=CCCCS(=O)(=O)[N-]c1sc(C)c(C)c1C(=O)OCC ZINC000427752332 458031006 /nfs/dbraw/zinc/03/10/06/458031006.db2.gz MFVXWQDANQUUSS-UHFFFAOYSA-N -1 0 331.459 3.250 20 30 EGEDRM C=CCCCS(=O)(=O)[N-]c1nnc(CC2CCCCC2)s1 ZINC000427756653 458031804 /nfs/dbraw/zinc/03/18/04/458031804.db2.gz HAQXWNPUAWYOSQ-UHFFFAOYSA-N -1 0 329.491 3.369 20 30 EGEDRM CC(C)(C)c1csc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)n1 ZINC000427778244 458033464 /nfs/dbraw/zinc/03/34/64/458033464.db2.gz IVOPSOYFAHFQIJ-UHFFFAOYSA-N -1 0 339.417 3.252 20 30 EGEDRM Cc1cccc([C@@H]([N-]S(=O)(=O)CCCCC#N)C(F)(F)F)c1 ZINC000358522025 458055344 /nfs/dbraw/zinc/05/53/44/458055344.db2.gz PXTBMDTVHNIHNF-CYBMUJFWSA-N -1 0 334.363 3.212 20 30 EGEDRM N#Cc1cc(F)c(C(=O)[N-]c2nnc(-c3ccco3)s2)c(F)c1 ZINC000445716113 458081110 /nfs/dbraw/zinc/08/11/10/458081110.db2.gz MLAQYYFBKJHPQK-UHFFFAOYSA-N -1 0 332.291 3.200 20 30 EGEDRM COc1cc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)ccc1SC ZINC000435341045 458117456 /nfs/dbraw/zinc/11/74/56/458117456.db2.gz RFLNNFZTSWNMMJ-YFHOEESVSA-N -1 0 327.409 3.241 20 30 EGEDRM C=CCOc1ccc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)cc1OC ZINC000435337919 458117972 /nfs/dbraw/zinc/11/79/72/458117972.db2.gz ZRADKOAKYDSXMM-XFXZXTDPSA-N -1 0 337.379 3.084 20 30 EGEDRM CC(C)OCc1cccc([N-]S(=O)(=O)c2ccc(C#N)s2)c1 ZINC000435487680 458155971 /nfs/dbraw/zinc/15/59/71/458155971.db2.gz UKAWDYJXNHYMEP-UHFFFAOYSA-N -1 0 336.438 3.346 20 30 EGEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccccc1O[C@H](C)C(F)(F)F ZINC000416958092 458358116 /nfs/dbraw/zinc/35/81/16/458358116.db2.gz LMEFZXKBVYGATR-ZJUUUORDSA-N -1 0 336.335 3.060 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2oc(C(C)C)nc2C)n1 ZINC000429689354 458358785 /nfs/dbraw/zinc/35/87/85/458358785.db2.gz NZAOIPKUDBDHDZ-JTQLQIEISA-N -1 0 347.396 3.230 20 30 EGEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1cc(F)ccc1SCC(F)F ZINC000416967269 458358827 /nfs/dbraw/zinc/35/88/27/458358827.db2.gz ZJUHGHALSKBSHK-VIFPVBQESA-N -1 0 338.376 3.227 20 30 EGEDRM C=CCN(Cc1ccccc1F)C(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000448144862 458394755 /nfs/dbraw/zinc/39/47/55/458394755.db2.gz HFYYWASZVWONFF-UHFFFAOYSA-N -1 0 326.375 3.135 20 30 EGEDRM C=CCc1cc(/C=C\c2nc(C(=O)[O-])ccc2C#N)cc(OC)c1O ZINC000436942661 458410133 /nfs/dbraw/zinc/41/01/33/458410133.db2.gz WNCZAAKSWMUSKS-ALCCZGGFSA-N -1 0 336.347 3.265 20 30 EGEDRM Cc1nnc2ccc(C([O-])=C(C#N)c3ncc(C(C)(C)C)s3)cn12 ZINC000430596136 458469652 /nfs/dbraw/zinc/46/96/52/458469652.db2.gz ZHFXWQVHCZVZMH-GFCCVEGCSA-N -1 0 339.424 3.282 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)/C=C\c2cc3ccccc3o2)CC1 ZINC000493633829 458518693 /nfs/dbraw/zinc/51/86/93/458518693.db2.gz YCOIIQMDYXIWGF-FPLPWBNLSA-N -1 0 331.393 3.001 20 30 EGEDRM COc1cc(OC)c2ncc(C#N)c(NCCC(C)(C)C(=O)[O-])c2c1 ZINC000424377553 458629417 /nfs/dbraw/zinc/62/94/17/458629417.db2.gz RKIDMSGDRROYKM-UHFFFAOYSA-N -1 0 343.383 3.036 20 30 EGEDRM CC(C)C[C@@H](CNC(=O)Nc1ccc(CC#N)cc1Cl)C(=O)[O-] ZINC000424387029 458631370 /nfs/dbraw/zinc/63/13/70/458631370.db2.gz IHPHHVNHBGNIBY-LBPRGKRZSA-N -1 0 337.807 3.274 20 30 EGEDRM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(F)ccc1C ZINC000439625094 458732083 /nfs/dbraw/zinc/73/20/83/458732083.db2.gz LTFMRDWNCSIJNM-UHFFFAOYSA-N -1 0 333.388 3.238 20 30 EGEDRM CCSc1n[n-]c(=NC(=O)c2ccc(C(C)(C)C#N)cc2)s1 ZINC000475104223 458918727 /nfs/dbraw/zinc/91/87/27/458918727.db2.gz QGRVDDRADUBOHS-UHFFFAOYSA-N -1 0 332.454 3.125 20 30 EGEDRM CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cccc(C)c1C#N ZINC000441338690 458923231 /nfs/dbraw/zinc/92/32/31/458923231.db2.gz UESVGFAEGFCWQX-UHFFFAOYSA-N -1 0 334.372 3.205 20 30 EGEDRM CC(C)Cc1ccc(S(=O)(=O)[N-]c2cc(CC#N)ccn2)cc1 ZINC000531652759 458954107 /nfs/dbraw/zinc/95/41/07/458954107.db2.gz QYDLGOHXEKXUMG-UHFFFAOYSA-N -1 0 329.425 3.147 20 30 EGEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(C2CCCCC2)[nH]n1 ZINC000532393434 459080392 /nfs/dbraw/zinc/08/03/92/459080392.db2.gz FTGAWINTSVSBOT-UHFFFAOYSA-N -1 0 344.440 3.438 20 30 EGEDRM Cc1ccc(-c2ccc(C(=O)N3CCC(C(=O)[O-])CC3)cc2)c(C#N)c1 ZINC000521462772 459156093 /nfs/dbraw/zinc/15/60/93/459156093.db2.gz OVEHJWOOJQORAL-UHFFFAOYSA-N -1 0 348.402 3.471 20 30 EGEDRM C[C@]1(C(=O)[O-])CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)C1 ZINC000539604092 459377010 /nfs/dbraw/zinc/37/70/10/459377010.db2.gz TUVRPKWMBNGUHW-NRFANRHFSA-N -1 0 333.387 3.023 20 30 EGEDRM C=C(C)[C@H]1OCC[C@H]1CN=c1[n-]nc(Cc2ccc(F)cc2)s1 ZINC000569383821 459442980 /nfs/dbraw/zinc/44/29/80/459442980.db2.gz YXNMTKPQKKXIDD-XJKSGUPXSA-N -1 0 333.432 3.083 20 30 EGEDRM N#Cc1cnc2c(F)cc(F)cc2c1N1CCC[C@H](CCC(=O)[O-])C1 ZINC000595973643 459491758 /nfs/dbraw/zinc/49/17/58/459491758.db2.gz GGAPHTGZECKBKX-LLVKDONJSA-N -1 0 345.349 3.466 20 30 EGEDRM N#CC1(CC(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)CCCCC1 ZINC000595987728 459492552 /nfs/dbraw/zinc/49/25/52/459492552.db2.gz BTSWHZRRJIBIOY-HNNXBMFYSA-N -1 0 326.396 3.456 20 30 EGEDRM Cc1cn(C2CCCCC2)nc1[N-]S(=O)(=O)c1ccccc1C#N ZINC000542232587 459537454 /nfs/dbraw/zinc/53/74/54/459537454.db2.gz UASAGCOPGDWFJO-UHFFFAOYSA-N -1 0 344.440 3.369 20 30 EGEDRM CC(C)n1ncc(C([O-])=C(C#N)c2ccncn2)c1-c1ccccc1 ZINC000488690863 459547935 /nfs/dbraw/zinc/54/79/35/459547935.db2.gz GCOBHZAWTVKZDD-HNNXBMFYSA-N -1 0 331.379 3.411 20 30 EGEDRM C=CCCCS(=O)(=O)[N-][C@@H](c1ccc(F)cc1)C(F)(F)F ZINC000489496836 459565250 /nfs/dbraw/zinc/56/52/50/459565250.db2.gz MCOXKVXCGJXHCX-LBPRGKRZSA-N -1 0 325.327 3.315 20 30 EGEDRM C=CCOC[C@@H](NC(=O)Nc1cc(Cl)c(C)c(Cl)c1)C(=O)[O-] ZINC000572582973 459581415 /nfs/dbraw/zinc/58/14/15/459581415.db2.gz VUEXQFCHUMRUSC-GFCCVEGCSA-N -1 0 347.198 3.079 20 30 EGEDRM COc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1cccc(C#N)n1 ZINC000592384561 459587355 /nfs/dbraw/zinc/58/73/55/459587355.db2.gz ARFJATMDAGSBEL-UHFFFAOYSA-N -1 0 345.424 3.060 20 30 EGEDRM CC(=O)c1ccc([O-])c(NC(=O)C=Cc2ccc(OCC#N)cc2)c1 ZINC000492397118 459703628 /nfs/dbraw/zinc/70/36/28/459703628.db2.gz YNWNRZCERFPUGV-WTKPLQERSA-N -1 0 336.347 3.149 20 30 EGEDRM CC(C)(C)OC(=O)N1CCC(CN=Nc2cccc(C(=O)[O-])c2)CC1 ZINC000492881327 459724269 /nfs/dbraw/zinc/72/42/69/459724269.db2.gz BHHNBTOFZNGKGY-UHFFFAOYSA-N -1 0 347.415 3.430 20 30 EGEDRM C=CCn1c(Cc2ccc(Cl)cc2)n[n-]c1=Nc1c(C)n[nH]c1C ZINC000564378360 459773134 /nfs/dbraw/zinc/77/31/34/459773134.db2.gz KQWQNXSWJFGXPL-UHFFFAOYSA-N -1 0 342.834 3.214 20 30 EGEDRM N#C[C@H](Sc1n[n-]c(=NCC(F)(F)F)s1)c1ccccc1 ZINC000575815404 460010283 /nfs/dbraw/zinc/01/02/83/460010283.db2.gz DRTWEMLVLGVPOF-VIFPVBQESA-N -1 0 330.360 3.291 20 30 EGEDRM C=CCC(C)(C)CNC(=O)N=c1[n-]nc(Cc2ccc(F)cc2)s1 ZINC000575976369 460044853 /nfs/dbraw/zinc/04/48/53/460044853.db2.gz QVYGCHDXOLNENM-UHFFFAOYSA-N -1 0 348.447 3.414 20 30 EGEDRM CCCOc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000610056848 460055825 /nfs/dbraw/zinc/05/58/25/460055825.db2.gz ZDGVBWSWBPQIOU-UHFFFAOYSA-N -1 0 334.372 3.287 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)N2CC[C@@H](C3CCCCC3)C2)cc1C#N ZINC000598150514 460190420 /nfs/dbraw/zinc/19/04/20/460190420.db2.gz GPWVGTXENMTOCC-CYBMUJFWSA-N -1 0 345.468 3.423 20 30 EGEDRM N#CC(=C([O-])c1cn(C2CC2)nn1)c1nc2cc(Cl)ccc2s1 ZINC000626300232 460470022 /nfs/dbraw/zinc/47/00/22/460470022.db2.gz SKVRJDNGKCZBBO-SNVBAGLBSA-N -1 0 343.799 3.366 20 30 EGEDRM Cc1ccc(SC2CCCC2)c(C(=O)N=c2[nH][n-]cc2C#N)c1 ZINC000601637759 460853710 /nfs/dbraw/zinc/85/37/10/460853710.db2.gz AUITYQCSQFKZOV-UHFFFAOYSA-N -1 0 326.425 3.299 20 30 EGEDRM CCc1c(=O)n(-c2oc(C)nc2C#N)[n-]c1-c1ccc(F)cc1Cl ZINC000601938555 460952129 /nfs/dbraw/zinc/95/21/29/460952129.db2.gz LXEACSNTUUDCIZ-SNVBAGLBSA-N -1 0 346.749 3.424 20 30 EGEDRM N#Cc1ccsc1NC(=O)C[C@]1(C(=O)[O-])CCCc2ccccc21 ZINC000601982587 460970362 /nfs/dbraw/zinc/97/03/62/460970362.db2.gz IGACAQMYQNVNLI-GOSISDBHSA-N -1 0 340.404 3.307 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)c1ccc(OCCC(C)C)c(OC)c1)C(=O)[O-] ZINC000630318996 461094390 /nfs/dbraw/zinc/09/43/90/461094390.db2.gz PRTYWRIRTUSIGS-OAHLLOKOSA-N -1 0 349.427 3.269 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)CCc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000630319938 461095012 /nfs/dbraw/zinc/09/50/12/461095012.db2.gz LJPZXWVYEGTPRM-CYBMUJFWSA-N -1 0 329.318 3.174 20 30 EGEDRM C=CCc1cc(CN[C@H](C)c2nc(C(=O)[O-])cs2)cc(OC)c1O ZINC000630463554 461136334 /nfs/dbraw/zinc/13/63/34/461136334.db2.gz CGGXPLTZZYJFKH-SNVBAGLBSA-N -1 0 348.424 3.135 20 30 EGEDRM CC(C)c1csc(C(C#N)=C([O-])c2ncoc2-c2ccon2)n1 ZINC000659113335 461166702 /nfs/dbraw/zinc/16/67/02/461166702.db2.gz DXDJVPVXVNPRMO-VIFPVBQESA-N -1 0 328.353 3.400 20 30 EGEDRM C=CC[C@@H](C(=O)N=c1nc(C(C)(C)OC)[n-]s1)c1ccccc1 ZINC000634151439 461445499 /nfs/dbraw/zinc/44/54/99/461445499.db2.gz CCQWGLWBBUOVRE-CYBMUJFWSA-N -1 0 331.441 3.140 20 30 EGEDRM Cn1nc(C(F)(F)F)cc1C([O-])=C(C#N)c1nc(C2CC2)cs1 ZINC000647380003 461670269 /nfs/dbraw/zinc/67/02/69/461670269.db2.gz BZPTWDVFFUCVMU-QMMMGPOBSA-N -1 0 340.330 3.263 20 30 EGEDRM C=CCCc1ccccc1NC(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000640119534 462266915 /nfs/dbraw/zinc/26/69/15/462266915.db2.gz MAKHXGARXLVTRJ-AWEZNQCLSA-N -1 0 341.415 3.040 20 30 EGEDRM C=CCCC[C@@H](C)NC(=O)N[C@H](C(=O)[O-])c1ccc(OC)c(F)c1 ZINC000684733018 550362100 /nfs/dbraw/zinc/36/21/00/550362100.db2.gz LIQPYJIOVAMFFB-ABAIWWIYSA-N -1 0 338.379 3.004 20 30 EGEDRM Cc1ccc(N(CCC#N)C(=O)[C@@H](C)S[C@@H](C)CC(=O)[O-])cc1 ZINC000738281232 574561267 /nfs/dbraw/zinc/56/12/67/574561267.db2.gz XARGQXUKNBVODY-UONOGXRCSA-N -1 0 334.441 3.227 20 30 EGEDRM COc1cc(C#N)ccc1OCCOc1cccc(NC(=O)[O-])c1 ZINC000738073666 574651001 /nfs/dbraw/zinc/65/10/01/574651001.db2.gz LVAGQGHJIHVHOU-UHFFFAOYSA-N -1 0 328.324 3.115 20 30 EGEDRM [O-]c1c(Cl)cc(Cl)cc1C=NNC(=S)NCC1CCC1 ZINC000727653475 574681429 /nfs/dbraw/zinc/68/14/29/574681429.db2.gz PSLQIZSXZJQSLB-UHFFFAOYSA-N -1 0 332.256 3.297 20 30 EGEDRM C[C@@H](Oc1cccc(C=NNCCCc2ccccc2)c1)C(=O)[O-] ZINC000729146091 574818441 /nfs/dbraw/zinc/81/84/41/574818441.db2.gz KVHNCFDGKVVTBQ-OAHLLOKOSA-N -1 0 326.396 3.095 20 30 EGEDRM COc1cc(/C=C/C(=O)c2csc(C(=O)[O-])c2)cc2c1OCCO2 ZINC000730150139 574925565 /nfs/dbraw/zinc/92/55/65/574925565.db2.gz OWTDTRGRHUPWTM-NSCUHMNNSA-N -1 0 346.360 3.122 20 30 EGEDRM CSc1ccc([C@@H](CC(=O)[O-])/N=C\c2ccc(O)c(O)c2O)cc1 ZINC000738199681 574929424 /nfs/dbraw/zinc/92/94/24/574929424.db2.gz PUAUALZQBLQEBD-ODGFMFMFSA-N -1 0 347.392 3.160 20 30 EGEDRM C[C@@H]1c2c(c(O)ccc2F)C(=O)/C1=C\c1ccc(OCC(=O)[O-])cc1 ZINC000730590660 575004133 /nfs/dbraw/zinc/00/41/33/575004133.db2.gz QIFOVEQXMVRDCY-AAIQCTMTSA-N -1 0 342.322 3.378 20 30 EGEDRM Cc1ccc(F)c2c1C(=NNc1ccc(Cl)c(C(=O)[O-])c1)C(=O)N2 ZINC000732710847 575283792 /nfs/dbraw/zinc/28/37/92/575283792.db2.gz USADPDGPCPVFHE-UHFFFAOYSA-N -1 0 347.733 3.254 20 30 EGEDRM CC(=NNc1nnc(C)c(=O)[n-]1)c1ccc(SC(F)F)cc1 ZINC000734977616 575582701 /nfs/dbraw/zinc/58/27/01/575582701.db2.gz AKBMVOLJDYFEEE-UHFFFAOYSA-N -1 0 325.344 3.036 20 30 EGEDRM CCCCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000735204445 575621049 /nfs/dbraw/zinc/62/10/49/575621049.db2.gz WETVBSFBXZZZEB-OAHLLOKOSA-N -1 0 336.457 3.360 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)/C=C/C2CCCCC2)n1 ZINC000735562293 575680535 /nfs/dbraw/zinc/68/05/35/575680535.db2.gz LOBJESGNQVHXEJ-NPQIQWPPSA-N -1 0 332.425 3.308 20 30 EGEDRM C=CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(NC(=O)[O-])c1 ZINC000736108880 575897663 /nfs/dbraw/zinc/89/76/63/575897663.db2.gz SRXRUTPLKXIHOM-UHFFFAOYSA-N -1 0 335.363 3.477 20 30 EGEDRM C#CCOc1ccc(C(=O)Nc2sc3c(c2C(=O)[O-])CCC3)cc1 ZINC000736089690 575898205 /nfs/dbraw/zinc/89/82/05/575898205.db2.gz OOKPXLSYDAYVQL-UHFFFAOYSA-N -1 0 341.388 3.199 20 30 EGEDRM C#CCOc1ccc(C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)cc1 ZINC000736089912 575898215 /nfs/dbraw/zinc/89/82/15/575898215.db2.gz RSHWHFJBJYQWGA-UHFFFAOYSA-N -1 0 338.363 3.061 20 30 EGEDRM C#CCOc1ccc([C@H](C)OC(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC000736090261 575898266 /nfs/dbraw/zinc/89/82/66/575898266.db2.gz XWTKGCNEDAGPAY-NSHDSACASA-N -1 0 330.361 3.376 20 30 EGEDRM C=CCCC(=O)N(Cc1ccoc1C(=O)[O-])[C@@H](C)c1ccccn1 ZINC000736096360 575899174 /nfs/dbraw/zinc/89/91/74/575899174.db2.gz LQDZWUPYDPKANW-ZDUSSCGKSA-N -1 0 328.368 3.429 20 30 EGEDRM C[C@@H](NC(=O)Nc1ccc(C(=O)[O-])cc1F)c1ccc(C#N)cc1 ZINC000736649889 575996343 /nfs/dbraw/zinc/99/63/43/575996343.db2.gz XLRJHTSIALHZOT-SNVBAGLBSA-N -1 0 327.315 3.278 20 30 EGEDRM CC[C@H](C#N)Oc1cccc(CNC(=O)c2ccc(C(=O)[O-])s2)c1 ZINC000736848720 576047414 /nfs/dbraw/zinc/04/74/14/576047414.db2.gz MQYWWKMBKJCIRO-GFCCVEGCSA-N -1 0 344.392 3.057 20 30 EGEDRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1cc2ccccc2n1CC#N ZINC000737470971 576234795 /nfs/dbraw/zinc/23/47/95/576234795.db2.gz UEOMRDGZBFYWNB-UHFFFAOYSA-N -1 0 347.374 3.135 20 30 EGEDRM C#Cc1ccc(C(=O)Nc2sc3c(c2C(=O)[O-])CC[C@H](C)C3)nc1 ZINC000737496402 576238219 /nfs/dbraw/zinc/23/82/19/576238219.db2.gz SNKPZNVLNDFRPN-JTQLQIEISA-N -1 0 340.404 3.200 20 30 EGEDRM C=CC[C@H](C)Nc1nc(CN(C)C)nc2sc(C(=O)[O-])c(C)c21 ZINC000737527896 576241066 /nfs/dbraw/zinc/24/10/66/576241066.db2.gz UXJVBZQTPXTLSE-VIFPVBQESA-N -1 0 334.445 3.136 20 30 EGEDRM Cc1c(C(=O)/C=C\c2ccc(C(=O)[O-])o2)cnn1-c1ccc(C#N)cc1 ZINC000738253845 576306604 /nfs/dbraw/zinc/30/66/04/576306604.db2.gz QKZFSESJIWMPID-VURMDHGXSA-N -1 0 347.330 3.240 20 30 EGEDRM Cc1ccc(-c2csc(C(C#N)C(=O)[C@@H]3C[C@@H]3C(=O)[O-])n2)cc1 ZINC000738487659 576331133 /nfs/dbraw/zinc/33/11/33/576331133.db2.gz DHNAGGUNOVNCRI-FRRDWIJNSA-N -1 0 326.377 3.016 20 30 EGEDRM N#C[C@H](C(=O)CCc1ccc(C(=O)[O-])cc1)c1nc2ccccc2[nH]1 ZINC000739075015 576376847 /nfs/dbraw/zinc/37/68/47/576376847.db2.gz QEPLSLTYFOQPJU-CQSZACIVSA-N -1 0 333.347 3.070 20 30 EGEDRM N#Cc1ccc(NCC(=O)Nc2cc3ccccc3cc2C(=O)[O-])cc1 ZINC000739120796 576379047 /nfs/dbraw/zinc/37/90/47/576379047.db2.gz DWMMGDNNZBWLQU-UHFFFAOYSA-N -1 0 345.358 3.460 20 30 EGEDRM N#Cc1ccccc1/C=C/C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000739140670 576379540 /nfs/dbraw/zinc/37/95/40/576379540.db2.gz XEFUJKAPYHPXIH-ZNFPLGDCSA-N -1 0 332.359 3.177 20 30 EGEDRM N#Cc1ccccc1CN[C@@H](C(=O)[O-])c1ccc(Br)cc1 ZINC000739147260 576379728 /nfs/dbraw/zinc/37/97/28/576379728.db2.gz RDBFMXMRANMJPR-OAHLLOKOSA-N -1 0 345.196 3.236 20 30 EGEDRM O=C([O-])CN1C/C(=C/c2ccsc2)C(=O)/C(=C\c2ccsc2)C1 ZINC000739799444 576506689 /nfs/dbraw/zinc/50/66/89/576506689.db2.gz KPELVQBXQNWZQG-IZUVBVRISA-N -1 0 345.445 3.246 20 30 EGEDRM O=C([O-])CCOc1cccc(/C=C/C(=O)c2ccc3c(c2)COC3)c1 ZINC000742436278 576784142 /nfs/dbraw/zinc/78/41/42/576784142.db2.gz JHXHZGQKWWSCSL-QPJJXVBHSA-N -1 0 338.359 3.466 20 30 EGEDRM CCO[C@H](C)c1ncc(C([O-])=C(C#N)C(=O)Nc2ccccc2)s1 ZINC000744029770 576819237 /nfs/dbraw/zinc/81/92/37/576819237.db2.gz VINBGATYXWSXKI-DGCLKSJQSA-N -1 0 343.408 3.202 20 30 EGEDRM C[C@@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])c1cccc(Cl)c1Cl ZINC000820114798 598228227 /nfs/dbraw/zinc/22/82/27/598228227.db2.gz PYTKFMDJBAJEQN-CLAHSXSESA-N -1 0 329.183 3.175 20 30 EGEDRM C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000263486486 600482801 /nfs/dbraw/zinc/48/28/01/600482801.db2.gz MVLAGKKVSZCUHV-CHWSQXEVSA-N -1 0 347.440 3.267 20 30 EGEDRM Cc1ccc(-c2nc(CN[C@@H](C(=O)[O-])c3ccc(C#N)cc3)co2)cc1 ZINC000832908407 600695489 /nfs/dbraw/zinc/69/54/89/600695489.db2.gz JOXHUIIPSXKUNK-GOSISDBHSA-N -1 0 347.374 3.437 20 30 EGEDRM CC#CCSc1nc2ccccc2c(=O)n1CCCCCC(=O)[O-] ZINC000825717009 600834559 /nfs/dbraw/zinc/83/45/59/600834559.db2.gz QRCAITDGOKUDFX-UHFFFAOYSA-N -1 0 344.436 3.157 20 30 EGEDRM Cc1ccc(NC(=O)NCc2cc(C#N)ccc2F)cc1C(=O)[O-] ZINC000832946485 601142649 /nfs/dbraw/zinc/14/26/49/601142649.db2.gz BNNGLGYNKLMGHM-UHFFFAOYSA-N -1 0 327.315 3.026 20 30 EGEDRM Cc1ccc(NC(=O)[C@H](C)ON=Cc2ccc(C(=O)[O-])cc2)c(C)c1 ZINC000832942419 601221016 /nfs/dbraw/zinc/22/10/16/601221016.db2.gz GHLBUVZDKDUPBO-AWEZNQCLSA-N -1 0 340.379 3.379 20 30 EGEDRM O=C([O-])c1ccc(/C=C2\CC/C(=C/c3cccc([N+](=O)[O-])c3)C2=O)[nH]1 ZINC000833354852 601331410 /nfs/dbraw/zinc/33/14/10/601331410.db2.gz DHDHZHWOWNRBHL-FECSTBLZSA-N -1 0 338.319 3.451 20 30 EGEDRM C/C(=C/c1ccc(F)cc1)C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000825798504 601355482 /nfs/dbraw/zinc/35/54/82/601355482.db2.gz NHHGNDDCCWZPQB-QJWNTBNXSA-N -1 0 339.322 3.470 20 30 EGEDRM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000833064891 601427087 /nfs/dbraw/zinc/42/70/87/601427087.db2.gz OKRGFJBKMOYCLS-MLHJIOFPSA-N -1 0 340.423 3.176 20 30 EGEDRM Cc1c(C(=O)[O-])c2cc(OC(=O)C3(C#N)CCCC3)ccc2n1C ZINC000832851734 601450606 /nfs/dbraw/zinc/45/06/06/601450606.db2.gz WQGCTWUZULLIQA-UHFFFAOYSA-N -1 0 326.352 3.174 20 30 EGEDRM C[C@@H](CNC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)C(=O)[O-] ZINC000827492907 601623679 /nfs/dbraw/zinc/62/36/79/601623679.db2.gz JMPYUJRMHSWZBI-LBPRGKRZSA-N -1 0 339.351 3.193 20 30 EGEDRM Cc1nnc(-c2cccc(C#N)c2)n1Cc1cc(C(=O)[O-])sc1C ZINC000833033750 601636989 /nfs/dbraw/zinc/63/69/89/601636989.db2.gz LJTUZVUKCXAMFF-UHFFFAOYSA-N -1 0 338.392 3.242 20 30 EGEDRM C[C@H]1CN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)C[C@@H]1C(=O)[O-] ZINC000828401675 601757191 /nfs/dbraw/zinc/75/71/91/601757191.db2.gz JFIRSZXIUZAFSE-UGSOOPFHSA-N -1 0 349.390 3.095 20 30 EGEDRM C=CCN(CC=C)C(=O)[C@H](C)SCc1ccc(C(=O)[O-])s1 ZINC000825681756 601847210 /nfs/dbraw/zinc/84/72/10/601847210.db2.gz GIWIDWJDBZPWQB-NSHDSACASA-N -1 0 325.455 3.269 20 30 EGEDRM N#Cc1cc(F)ccc1NC(=O)N[C@H]1CCCCCC[C@H]1C(=O)[O-] ZINC000833069480 602047514 /nfs/dbraw/zinc/04/75/14/602047514.db2.gz ACXORVBVPZSHLK-HIFRSBDPSA-N -1 0 333.363 3.242 20 30 EGEDRM C[C@@H](Oc1ccc(C=NNCc2ccccc2Cl)cc1)C(=O)[O-] ZINC000794901295 602073095 /nfs/dbraw/zinc/07/30/95/602073095.db2.gz LEMSJPPLIKEPFO-GFCCVEGCSA-N -1 0 332.787 3.316 20 30 EGEDRM COc1cc(C(=O)/C=C/c2ccc(O[C@@H](C)C(=O)[O-])cc2)ccc1O ZINC000794695512 602106770 /nfs/dbraw/zinc/10/67/70/602106770.db2.gz PCDQHLUZTJBBPN-LHXVZLOVSA-N -1 0 342.347 3.149 20 30 EGEDRM C[C@@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)C(=O)[O-] ZINC000737688768 602250238 /nfs/dbraw/zinc/25/02/38/602250238.db2.gz GGXPZOATCPDXOL-GFCCVEGCSA-N -1 0 340.404 3.053 20 30 EGEDRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)Nc1cccc(OCCCC#N)c1 ZINC000832847482 604286737 /nfs/dbraw/zinc/28/67/37/604286737.db2.gz RDZLCKLCTWPCMJ-UHFFFAOYSA-N -1 0 341.367 3.265 20 30 EGEDRM Cc1cc(NC(=O)C(C)(C)Oc2ccc(C#N)cc2)sc1C(=O)[O-] ZINC000832893412 604376790 /nfs/dbraw/zinc/37/67/90/604376790.db2.gz QEKYCWCIVCZQND-UHFFFAOYSA-N -1 0 344.392 3.423 20 30 EGEDRM CC(C)(C)c1cc(C(=O)N(CC#N)CC(=O)[O-])c(O)c(C(C)(C)C)c1 ZINC000833446594 604713091 /nfs/dbraw/zinc/71/30/91/604713091.db2.gz DXTYMINQBBHCKQ-UHFFFAOYSA-N -1 0 346.427 3.038 20 30 EGEDRM C=C[C@@H](CC(=O)OCC(=O)c1cc(C(=O)[O-])co1)c1ccccc1 ZINC000833370733 604730058 /nfs/dbraw/zinc/73/00/58/604730058.db2.gz HIYMZRJLMNOFNZ-LBPRGKRZSA-N -1 0 328.320 3.064 20 30 EGEDRM N#CCCN(C(=O)Cc1cccc(C(=O)[O-])c1)c1ccc(F)cc1 ZINC000833760441 604741131 /nfs/dbraw/zinc/74/11/31/604741131.db2.gz SNTMQHNSNPDLSI-UHFFFAOYSA-N -1 0 326.327 3.013 20 30 EGEDRM C=CCn1c(SC[C@H](F)C(=O)[O-])nnc1-c1cccc(Cl)c1 ZINC000825710912 604750082 /nfs/dbraw/zinc/75/00/82/604750082.db2.gz HCZVVLKCPSQTGB-NSHDSACASA-N -1 0 341.795 3.299 20 30 EGEDRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=S)Nc2ccccc2C#N)C1 ZINC000833417770 604857271 /nfs/dbraw/zinc/85/72/71/604857271.db2.gz XMZRGGCNEOWPFQ-CYBMUJFWSA-N -1 0 331.441 3.078 20 30 EGEDRM N#Cc1ccc(OCCCOC(=O)c2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000833071704 604857370 /nfs/dbraw/zinc/85/73/70/604857370.db2.gz NORQKVFRVVROMG-UHFFFAOYSA-N -1 0 343.310 3.021 20 30 EGEDRM C[C@H](Oc1ccc(/C=C\C(=O)c2ccc(C#N)s2)cc1)C(=O)[O-] ZINC000794703727 605000296 /nfs/dbraw/zinc/00/02/96/605000296.db2.gz VFVZYKBLLJADPW-OHYQPGSNSA-N -1 0 327.361 3.368 20 30 EGEDRM C#CCCCCC(=O)NC[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000833362600 605013097 /nfs/dbraw/zinc/01/30/97/605013097.db2.gz ABWHHFPYKOULGP-LJQANCHMSA-N -1 0 337.419 3.393 20 30 EGEDRM CC(C)(C)OC(=O)N1CCC[C@@H](CN=Nc2ccccc2C(=O)[O-])C1 ZINC000755599430 605097407 /nfs/dbraw/zinc/09/74/07/605097407.db2.gz BCJUTNGAVDHITB-ZDUSSCGKSA-N -1 0 347.415 3.430 20 30 EGEDRM CC(C)(CC(=O)[O-])CC(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000833454950 605098623 /nfs/dbraw/zinc/09/86/23/605098623.db2.gz YRZOCMKYJBRXPZ-UHFFFAOYSA-N -1 0 336.391 3.311 20 30 EGEDRM C=CCCC[C@H](C)NC(=O)NCc1ccc(C(=O)[O-])c(C2CC2)n1 ZINC000833374096 605635728 /nfs/dbraw/zinc/63/57/28/605635728.db2.gz RJHAWBGMGSJFMX-LBPRGKRZSA-N -1 0 331.416 3.201 20 30 EGEDRM CC(C)Cc1nc(-c2nnn[n-]2)c(N=NC[C@@H]2CCC[C@@H](C)C2)o1 ZINC000824280818 608533610 /nfs/dbraw/zinc/53/36/10/608533610.db2.gz VLEMLTQVJVLGBY-VXGBXAGGSA-N -1 0 331.424 3.277 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])c(/C=N/Cc2ccc(Cn3cccn3)cc2)c1 ZINC000016703021 1291176230 /nfs/dbraw/zinc/17/62/30/1291176230.db2.gz AIEQZIPXLLXSMO-XDHOZWIPSA-N -1 0 336.351 3.164 20 30 EGEDRM C=CCN1C(=O)c2ccccc2N[C@H]1c1cc([N+](=O)[O-])ccc1[O-] ZINC000041864171 1291424349 /nfs/dbraw/zinc/42/43/49/1291424349.db2.gz KKSPQPAXEWQMPB-MRXNPFEDSA-N -1 0 325.324 3.053 20 30 EGEDRM COc1ccc(CC(=O)[N-]S(=O)(=O)c2ccccc2C)cc1F ZINC000042242457 1291437258 /nfs/dbraw/zinc/43/72/58/1291437258.db2.gz RPNZLUSAUUSOAO-UHFFFAOYSA-N -1 0 337.372 3.031 20 30 EGEDRM O=C([N-]S(=O)(=O)c1ccc(Cl)s1)c1ccc(F)c(F)c1 ZINC000042258464 1291438099 /nfs/dbraw/zinc/43/80/99/1291438099.db2.gz MPIJHFQGVYACDW-UHFFFAOYSA-N -1 0 337.756 3.373 20 30 EGEDRM C[C@H](Oc1ccccc1)C(=O)[N-]S(=O)(=O)C=Cc1ccccc1 ZINC000042320863 1291440523 /nfs/dbraw/zinc/44/05/23/1291440523.db2.gz GIZBIRBBLOXRNR-FNDVETGQSA-N -1 0 331.393 3.411 20 30 EGEDRM C#Cc1cccc([N-]S(=O)(=O)c2sccc2Br)c1 ZINC000042350539 1291441603 /nfs/dbraw/zinc/44/16/03/1291441603.db2.gz CYXAWXVHUTUYJW-UHFFFAOYSA-N -1 0 342.239 3.293 20 30 EGEDRM O=C([N-]S(=O)(=O)Cc1ccc(F)cc1)c1cccc(Cl)c1 ZINC000045100031 1291505293 /nfs/dbraw/zinc/50/52/93/1291505293.db2.gz ZFYRMFJTPJDQNO-UHFFFAOYSA-N -1 0 327.764 3.314 20 30 EGEDRM Cc1onc(-c2ccccc2)c1C(=O)[N-]S(=O)(=O)c1cccs1 ZINC000048427407 1291604233 /nfs/dbraw/zinc/60/42/33/1291604233.db2.gz KXVXBIKKZHPIIO-UHFFFAOYSA-N -1 0 348.405 3.405 20 30 EGEDRM CC[C@@H](C)C(=O)[N-]S(=O)(=O)c1cc(Br)ccc1C ZINC000048487663 1291606854 /nfs/dbraw/zinc/60/68/54/1291606854.db2.gz CCHZVFQEUFFLDB-MRVPVSSYSA-N -1 0 334.235 3.449 20 30 EGEDRM O=C(Cc1ccccc1F)[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000048612203 1291613528 /nfs/dbraw/zinc/61/35/28/1291613528.db2.gz SUMNREOPLWFDKH-UHFFFAOYSA-N -1 0 333.384 3.202 20 30 EGEDRM CN(Cc1ccccc1)S(=O)(=O)[N-]C(=O)c1cccc(Cl)c1 ZINC000048676832 1291615579 /nfs/dbraw/zinc/61/55/79/1291615579.db2.gz MDXYFUVWUFFBDO-UHFFFAOYSA-N -1 0 338.816 3.021 20 30 EGEDRM CC(C)S(=O)(=O)[N-]C(=O)c1ccc(C2SCCS2)cc1 ZINC000049417774 1291628106 /nfs/dbraw/zinc/62/81/06/1291628106.db2.gz UPGUEUAVUDLHMV-UHFFFAOYSA-N -1 0 331.484 3.208 20 30 EGEDRM O=C(CCCOc1ccccc1)[N-]S(=O)(=O)C1CCCCC1 ZINC000058073974 1291876079 /nfs/dbraw/zinc/87/60/79/1291876079.db2.gz AKEVXOYTRBODMQ-UHFFFAOYSA-N -1 0 325.430 3.465 20 30 EGEDRM O=C([O-])CCOc1cccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000060212441 1291919494 /nfs/dbraw/zinc/91/94/94/1291919494.db2.gz HFPYOZUZNHGJLX-RUDMXATFSA-N -1 0 341.319 3.344 20 30 EGEDRM O=C(COC1CCCCC1)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000064698007 1292064271 /nfs/dbraw/zinc/06/42/71/1292064271.db2.gz OWEMKQRJNXSWAD-UHFFFAOYSA-N -1 0 349.811 3.474 20 30 EGEDRM CC(=O)c1cccc(S(=O)(=O)[N-]C(=O)CC(C2CC2)C2CC2)c1 ZINC000065042048 1292071343 /nfs/dbraw/zinc/07/13/43/1292071343.db2.gz MWLFQIFQTQJKMO-UHFFFAOYSA-N -1 0 335.425 3.361 20 30 EGEDRM C=CCCC(=O)[N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000073087075 1292305174 /nfs/dbraw/zinc/30/51/74/1292305174.db2.gz LQGAASBQIVCZLO-UHFFFAOYSA-N -1 0 332.303 3.188 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2COc3ccccc32)cc1C ZINC000073086915 1292305200 /nfs/dbraw/zinc/30/52/00/1292305200.db2.gz PUDUOXCSXZKESN-OAHLLOKOSA-N -1 0 331.393 3.125 20 30 EGEDRM CCCCS(=O)(=O)[N-]C(=O)c1cccc(OCc2cccnc2)c1 ZINC000073087183 1292305592 /nfs/dbraw/zinc/30/55/92/1292305592.db2.gz VDWVDICGIMIWMQ-UHFFFAOYSA-N -1 0 348.424 3.095 20 30 EGEDRM Cc1nn(C)cc1C(=O)[N-]S(=O)(=O)c1cc(C(C)(C)C)ccc1C ZINC000073086885 1292305741 /nfs/dbraw/zinc/30/57/41/1292305741.db2.gz MRGOFATWTMWCSU-UHFFFAOYSA-N -1 0 349.456 3.028 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)CC[C@H]2CC[C@@H](C)O2)cc1C ZINC000076757842 1292439799 /nfs/dbraw/zinc/43/97/99/1292439799.db2.gz HBWPPFFREGVNOI-ZIAGYGMSSA-N -1 0 325.430 3.296 20 30 EGEDRM C[C@](O)(C/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccsc1 ZINC000077490336 1292468573 /nfs/dbraw/zinc/46/85/73/1292468573.db2.gz UPRYJPBKXBWKLD-FCDDLGMRSA-N -1 0 340.788 3.342 20 30 EGEDRM CN(C)c1ccc(C#N)c([N-]S(=O)(=O)c2ccc(C3CC3)cc2)c1 ZINC000829758155 1292615330 /nfs/dbraw/zinc/61/53/30/1292615330.db2.gz GNKBZSAWOXKSLI-UHFFFAOYSA-N -1 0 341.436 3.302 20 30 EGEDRM N#Cc1csc(C(=O)[N-]S(=O)(=O)C2=Cc3ccccc3CC2)c1 ZINC000083939956 1292693434 /nfs/dbraw/zinc/69/34/34/1292693434.db2.gz WQXRJNVVSKFRIZ-UHFFFAOYSA-N -1 0 344.417 3.241 20 30 EGEDRM N#Cc1csc(C(=O)[N-]S(=O)(=O)Cc2ccccc2Cl)c1 ZINC000083971644 1292694390 /nfs/dbraw/zinc/69/43/90/1292694390.db2.gz AQOPIPPJNRMIFA-UHFFFAOYSA-N -1 0 340.813 3.108 20 30 EGEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cnc1Cl ZINC000085235559 1292718728 /nfs/dbraw/zinc/71/87/28/1292718728.db2.gz UKERUUDFZWVNED-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM N#CCc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)on2)cc1 ZINC000085235233 1292718740 /nfs/dbraw/zinc/71/87/40/1292718740.db2.gz LQEMLVFSPBEFOC-UHFFFAOYSA-N -1 0 339.376 3.208 20 30 EGEDRM Cc1oc(-c2ccccc2)nc1CC(=O)[N-]S(=O)(=O)C1CCCC1 ZINC000086055038 1292727097 /nfs/dbraw/zinc/72/70/97/1292727097.db2.gz SCDRVPNRLPSQFB-UHFFFAOYSA-N -1 0 348.424 3.421 20 30 EGEDRM CCn1cc(CC(=O)[N-]S(=O)(=O)C2CCCC2)c2ccccc21 ZINC000086054261 1292727833 /nfs/dbraw/zinc/72/78/33/1292727833.db2.gz PTKBTURWCGEGSC-UHFFFAOYSA-N -1 0 334.441 3.433 20 30 EGEDRM Cc1ccc(OCCC(=O)[N-]S(=O)(=O)C2CCCC2)c(C)c1 ZINC000086055348 1292727879 /nfs/dbraw/zinc/72/78/79/1292727879.db2.gz FFUYXZTZZKQYLV-UHFFFAOYSA-N -1 0 325.430 3.301 20 30 EGEDRM C[C@@H](CCOc1ccccc1)C(=O)[N-]S(=O)(=O)C1CCCC1 ZINC000086056144 1292728225 /nfs/dbraw/zinc/72/82/25/1292728225.db2.gz LZTSBCMRMRQNIW-ZDUSSCGKSA-N -1 0 325.430 3.321 20 30 EGEDRM O=C(C[C@@H]1CCCCO1)[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000088799431 1292756491 /nfs/dbraw/zinc/75/64/91/1292756491.db2.gz QJVYHPCQAAYHFQ-HNNXBMFYSA-N -1 0 333.409 3.444 20 30 EGEDRM CC[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1 ZINC000114622018 1293172850 /nfs/dbraw/zinc/17/28/50/1293172850.db2.gz TWOSFFJCEQIDHA-KRWDZBQOSA-N -1 0 348.468 3.111 20 30 EGEDRM C[C@@H](c1ccc(C([O-])=C(C#N)C(=O)N2CCCC2)cc1)C(F)(F)F ZINC000835057317 1293195059 /nfs/dbraw/zinc/19/50/59/1293195059.db2.gz AWTLWIXSUODJRY-FZMZJTMJSA-N -1 0 338.329 3.297 20 30 EGEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)C=C(C)CC ZINC000835077095 1293202287 /nfs/dbraw/zinc/20/22/87/1293202287.db2.gz OIJYRVXRIXOIQG-KJJQSCHISA-N -1 0 330.384 3.056 20 30 EGEDRM C=CCC1(C(=O)[N-]S(=O)(=O)[C@H]2CCCc3ccccc32)CCC1 ZINC000835588566 1293323668 /nfs/dbraw/zinc/32/36/68/1293323668.db2.gz AGFKCMXYBMQPFV-INIZCTEOSA-N -1 0 333.453 3.256 20 30 EGEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)C1CCC(c2ccccc2)CC1 ZINC000123125336 1293434629 /nfs/dbraw/zinc/43/46/29/1293434629.db2.gz RYVFCXPGKVMGEL-JCYILVPMSA-N -1 0 335.407 3.286 20 30 EGEDRM CC(=CC(=O)C(C#N)=C([O-])c1nccn1C)c1cccc(Cl)c1 ZINC000123250255 1293438863 /nfs/dbraw/zinc/43/88/63/1293438863.db2.gz HQXXMEDCKLGRDO-MSKHEQNASA-N -1 0 327.771 3.069 20 30 EGEDRM C[C@H](Sc1ccc(Cl)cc1)C(=O)C(C#N)=C([O-])c1nccn1C ZINC000123287925 1293439683 /nfs/dbraw/zinc/43/96/83/1293439683.db2.gz ASHZSFFRKKUXSK-GWCFXTLKSA-N -1 0 347.827 3.146 20 30 EGEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1ccc2c(c1)CCCC2 ZINC000126661283 1293540676 /nfs/dbraw/zinc/54/06/76/1293540676.db2.gz HSPRSYODNCGYBG-LJQANCHMSA-N -1 0 332.403 3.204 20 30 EGEDRM CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2cc(C)c(C)o2)C1=O ZINC000131792756 1293701317 /nfs/dbraw/zinc/70/13/17/1293701317.db2.gz DVQLNGMSLULYBA-SFHVURJKSA-N -1 0 349.431 3.212 20 30 EGEDRM N#C[C@@H](c1ccccc1)N1CCN(Cc2cc(Cl)ccc2O)CC1 ZINC000155284220 1294091529 /nfs/dbraw/zinc/09/15/29/1294091529.db2.gz IDGCKUIGFBCAND-SFHVURJKSA-N -1 0 341.842 3.428 20 30 EGEDRM C=C[C@@H](CC(=O)[N-]S(=O)(=O)CCCC(F)(F)F)c1ccccc1 ZINC000157033516 1294167254 /nfs/dbraw/zinc/16/72/54/1294167254.db2.gz FIBUFCAYODCVMP-LBPRGKRZSA-N -1 0 349.374 3.135 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)c2ccc(F)c(Br)c2)c1 ZINC000176401278 1294603713 /nfs/dbraw/zinc/60/37/13/1294603713.db2.gz FSTYBAUICDIRQV-UHFFFAOYSA-N -1 0 335.132 3.418 20 30 EGEDRM Cc1c(C(=O)Nc2cc(C#N)ccc2[O-])cnn1-c1ccc(F)cc1 ZINC000176403680 1294603926 /nfs/dbraw/zinc/60/39/26/1294603926.db2.gz NYDBRAQUSDVWII-UHFFFAOYSA-N -1 0 336.326 3.149 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)c2cccc(OC[C@@H]3CCCO3)c2)c1 ZINC000176820717 1294633965 /nfs/dbraw/zinc/63/39/65/1294633965.db2.gz MYCHUBJXWBTOAI-INIZCTEOSA-N -1 0 338.363 3.074 20 30 EGEDRM CCn1cc(C([O-])=C(C#N)C(=O)NC2CCCCC2)c2ccccc21 ZINC000193433023 1295865726 /nfs/dbraw/zinc/86/57/26/1295865726.db2.gz HIYMEZOHMPTWCO-MRXNPFEDSA-N -1 0 337.423 3.433 20 30 EGEDRM CCn1cc(C([O-])=C(C#N)C(=O)NC2CCCCC2)c2ccccc21 ZINC000193433037 1295867908 /nfs/dbraw/zinc/86/79/08/1295867908.db2.gz HIYMEZOHMPTWCO-INIZCTEOSA-N -1 0 337.423 3.433 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)cc1 ZINC000195438430 1296068107 /nfs/dbraw/zinc/06/81/07/1296068107.db2.gz HSBZIIYNPXRYEX-UHFFFAOYSA-N -1 0 328.180 3.061 20 30 EGEDRM COCCOc1cc(C)ccc1N=Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000255136789 1296503412 /nfs/dbraw/zinc/50/34/12/1296503412.db2.gz FLAGBJFFWPEXEE-UHFFFAOYSA-N -1 0 330.340 3.385 20 30 EGEDRM COCCOc1ccc(C(=O)/C=C\c2cc([O-])ccc2[N+](=O)[O-])cc1 ZINC000255213166 1296510863 /nfs/dbraw/zinc/51/08/63/1296510863.db2.gz IFLNLPMAWFQRQJ-WTKPLQERSA-N -1 0 343.335 3.222 20 30 EGEDRM CCNC(=O)c1ccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])c(C)c1 ZINC000255438961 1296534183 /nfs/dbraw/zinc/53/41/83/1296534183.db2.gz NDYSDXNVOVOLKA-UHFFFAOYSA-N -1 0 327.340 3.109 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2ccc(F)c(C(F)(F)F)c2)C(=O)O1 ZINC000255476345 1296536334 /nfs/dbraw/zinc/53/63/34/1296536334.db2.gz GBVQKPWDGOCQIA-MFBWXBCUSA-N -1 0 342.244 3.073 20 30 EGEDRM COc1ccc(C(=O)/C=C\c2nccn2CC(F)(F)F)c([O-])c1 ZINC000255674307 1296559515 /nfs/dbraw/zinc/55/95/15/1296559515.db2.gz HCHIRWSUFXJDIH-PLNGDYQASA-N -1 0 326.274 3.056 20 30 EGEDRM C=CCC[C@@H](NC(=O)c1cc(C)c(Br)cc1C)C(=O)[O-] ZINC000262868249 1296649907 /nfs/dbraw/zinc/64/99/07/1296649907.db2.gz JIUTZGCLAKKTFT-CYBMUJFWSA-N -1 0 340.217 3.215 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])c(/C=N/C[C@@H](O)c2ccc(Cl)c(F)c2)c1 ZINC000305673684 1297022011 /nfs/dbraw/zinc/02/20/11/1297022011.db2.gz KGHOUBAVZQISLL-CYBCDMBKSA-N -1 0 338.722 3.245 20 30 EGEDRM C=C(C)[C@H](NC(=O)C(C)(C)SCC(=O)[O-])c1ccc(F)c(F)c1 ZINC000872858852 1297145155 /nfs/dbraw/zinc/14/51/55/1297145155.db2.gz RQPJWELLKGNVBM-AWEZNQCLSA-N -1 0 343.395 3.295 20 30 EGEDRM C[C@H](/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1nnc2ccccn21 ZINC000745991540 1298508711 /nfs/dbraw/zinc/50/87/11/1298508711.db2.gz XPXFQTDTGFKVMS-NRMZQKLJSA-N -1 0 345.746 3.177 20 30 EGEDRM C=CCCO[N-]C(=O)[C@H](C)Oc1ccc(Cl)cc1Br ZINC000856029729 1325440524 /nfs/dbraw/zinc/44/05/24/1325440524.db2.gz AMNYOIUDAQFRCI-VIFPVBQESA-N -1 0 348.624 3.494 20 30 EGEDRM CC(N=Nc1oc(C(C)(C)C)nc1C#N)c1ccc(CC(=O)[O-])cc1 ZINC000746498560 1298597719 /nfs/dbraw/zinc/59/77/19/1298597719.db2.gz VOGMQVHZAWQWQC-UHFFFAOYSA-N -1 0 340.383 3.307 20 30 EGEDRM C[C@@H](Oc1cccc(/C=C/C(=O)c2ccc3c(c2)CCO3)c1)C(=O)[O-] ZINC000746684436 1298642178 /nfs/dbraw/zinc/64/21/78/1298642178.db2.gz PYLMXPZKJLGOCF-VUDGCMKMSA-N -1 0 338.359 3.370 20 30 EGEDRM CN1CCc2cc(/C=C/C(=O)c3cccc(OCC(=O)[O-])c3)ccc21 ZINC000751525117 1299561550 /nfs/dbraw/zinc/56/15/50/1299561550.db2.gz VCNFPQKEIAKGJF-SOFGYWHQSA-N -1 0 337.375 3.038 20 30 EGEDRM COc1cccc(C(=O)C(C#N)=C([O-])c2c(C)[nH]c3ccccc32)n1 ZINC000752159413 1299704321 /nfs/dbraw/zinc/70/43/21/1299704321.db2.gz FDQJNWUMAGFUDD-ZDUSSCGKSA-N -1 0 333.347 3.085 20 30 EGEDRM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(N(C)C)ccc1C#N ZINC000756360181 1300476065 /nfs/dbraw/zinc/47/60/65/1300476065.db2.gz SHZRHHSUSUFVBQ-UHFFFAOYSA-N -1 0 349.843 3.387 20 30 EGEDRM COc1ccccc1N1CC[C@H](/N=C\c2cc(Cl)ccc2O)C1=O ZINC000756773545 1300563918 /nfs/dbraw/zinc/56/39/18/1300563918.db2.gz AJIXOCDXWGWILR-GNKPEBMXSA-N -1 0 344.798 3.279 20 30 EGEDRM CC(=NNc1cccc([N+](=O)[O-])c1C)c1cc(C(=O)[O-])ccc1O ZINC000757462146 1300671688 /nfs/dbraw/zinc/67/16/88/1300671688.db2.gz WQFBFPSFDOJPLX-UHFFFAOYSA-N -1 0 329.312 3.143 20 30 EGEDRM O=C(/C=C\c1ccc(-n2cncn2)c(F)c1)c1cc(F)ccc1[O-] ZINC000757468968 1300673817 /nfs/dbraw/zinc/67/38/17/1300673817.db2.gz WPOVQLFGTZOLQV-DJWKRKHSSA-N -1 0 327.290 3.147 20 30 EGEDRM Fc1ccc(C=CC=Nn2c(=S)[n-]nc2C(F)(F)F)c(F)c1 ZINC000758080832 1300780881 /nfs/dbraw/zinc/78/08/81/1300780881.db2.gz XYTMRODUWUVPCT-CWSYNHRASA-N -1 0 334.273 3.411 20 30 EGEDRM COc1cc([N+](=O)[O-])ccc1NN=C(C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000758116630 1300788085 /nfs/dbraw/zinc/78/80/85/1300788085.db2.gz MOEANEPUKOPRFJ-UHFFFAOYSA-N -1 0 346.299 3.053 20 30 EGEDRM CCC[C@H](C)C(=O)C(C#N)=C([O-])c1c(C)[nH]c(C)c1C(=O)OCC ZINC000759236033 1301046785 /nfs/dbraw/zinc/04/67/85/1301046785.db2.gz GWBKNXJCMPCGBA-GWCFXTLKSA-N -1 0 332.400 3.136 20 30 EGEDRM CC[C@](C)(CNC(=O)OC(C)(C)C)C(=O)Nc1cc(C#N)ccc1[O-] ZINC000759713106 1301147115 /nfs/dbraw/zinc/14/71/15/1301147115.db2.gz HDNPYNRYZWWEPX-GOSISDBHSA-N -1 0 347.415 3.143 20 30 EGEDRM CSc1nc(C(C)C)nc(C)c1C(=O)Nc1cc(C#N)ccc1[O-] ZINC000759716838 1301148356 /nfs/dbraw/zinc/14/83/56/1301148356.db2.gz DQQNFIKFWIXXFJ-UHFFFAOYSA-N -1 0 342.424 3.460 20 30 EGEDRM COc1ccc2c(c1)C(=NNc1ccc(C(=O)[O-])cc1)CCCO2 ZINC000763099194 1301822739 /nfs/dbraw/zinc/82/27/39/1301822739.db2.gz CKVDAFYIBZLGAV-UHFFFAOYSA-N -1 0 326.352 3.382 20 30 EGEDRM COc1cc(/C=C2/Oc3ccccc3C2=O)ccc1OCCC(=O)[O-] ZINC000763372440 1301887453 /nfs/dbraw/zinc/88/74/53/1301887453.db2.gz CHPLEGUGMHGGAW-GZTJUZNOSA-N -1 0 340.331 3.165 20 30 EGEDRM CN(C)c1cc(F)ccc1C(=O)/C=C/c1ccc([N+](=O)[O-])c([O-])c1 ZINC000764443776 1302064865 /nfs/dbraw/zinc/06/48/65/1302064865.db2.gz XUQQJKAGXLQYDY-XBXARRHUSA-N -1 0 330.315 3.402 20 30 EGEDRM COc1cc(C(C)=NNc2cccc([N+](=O)[O-])c2)cc([N+](=O)[O-])c1[O-] ZINC000764659622 1302112382 /nfs/dbraw/zinc/11/23/82/1302112382.db2.gz XMSFZMWXMXMVRZ-UHFFFAOYSA-N -1 0 346.299 3.053 20 30 EGEDRM O=C([O-])c1cccc(/C=C2\S/C(=N\C3CCCCC3)NC2=O)c1 ZINC000765827565 1302336250 /nfs/dbraw/zinc/33/62/50/1302336250.db2.gz WGVCAHXBCLOAGZ-UVTDQMKNSA-N -1 0 330.409 3.277 20 30 EGEDRM Cc1cc([O-])cc2c1C(=O)/C(=C\c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])O2 ZINC000766033310 1302373837 /nfs/dbraw/zinc/37/38/37/1302373837.db2.gz JVEBXSPJRZNUBX-LHHJGKSTSA-N -1 0 342.263 3.133 20 30 EGEDRM CC(=O)c1ccc(F)cc1[N-]S(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000766569993 1302478774 /nfs/dbraw/zinc/47/87/74/1302478774.db2.gz JJZWBMBDYSNJDP-UHFFFAOYSA-N -1 0 332.356 3.009 20 30 EGEDRM C#C[C@H](CC)OC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000768046249 1302811083 /nfs/dbraw/zinc/81/10/83/1302811083.db2.gz AUEBJUXTQOWHDY-CQSZACIVSA-N -1 0 349.433 3.118 20 30 EGEDRM COc1cc(/C=C\C(=O)c2ccc(C(=O)[O-])s2)ccc1[N+](=O)[O-] ZINC000770571036 1303287081 /nfs/dbraw/zinc/28/70/81/1303287081.db2.gz NPNXUGGIZJHEBA-HYXAFXHYSA-N -1 0 333.321 3.259 20 30 EGEDRM COc1cc(/C=C\C(=O)c2ccc([O-])c([N+](=O)[O-])c2)ccc1[N+](=O)[O-] ZINC000770575748 1303287586 /nfs/dbraw/zinc/28/75/86/1303287586.db2.gz UOTIWWKQGJPFMS-UTCJRWHESA-N -1 0 344.279 3.113 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)ns1 ZINC000774051513 1303768211 /nfs/dbraw/zinc/76/82/11/1303768211.db2.gz JDVFPCMGPOSTNE-VIFPVBQESA-N -1 0 337.763 3.205 20 30 EGEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1cc(C)sn1)c1ccccc1 ZINC000774258511 1303790684 /nfs/dbraw/zinc/79/06/84/1303790684.db2.gz AXTWREABHZWLHZ-UONOGXRCSA-N -1 0 327.409 3.042 20 30 EGEDRM COC(=O)[C@H](C)n1cccc1C=NNc1ccc(Cl)c(C(=O)[O-])c1 ZINC000774575952 1303829648 /nfs/dbraw/zinc/82/96/48/1303829648.db2.gz SNOIPDGTKBEIHZ-JTQLQIEISA-N -1 0 349.774 3.020 20 30 EGEDRM COC(=O)[C@@H](C)n1cccc1C=NNc1ccc(Cl)c(C(=O)[O-])c1 ZINC000774575955 1303829761 /nfs/dbraw/zinc/82/97/61/1303829761.db2.gz SNOIPDGTKBEIHZ-SNVBAGLBSA-N -1 0 349.774 3.020 20 30 EGEDRM C#CCOc1cccc([N-]S(=O)(=O)c2cccc(C)c2Cl)c1 ZINC000775672330 1304011982 /nfs/dbraw/zinc/01/19/82/1304011982.db2.gz PZWQRMZLEVJCDX-UHFFFAOYSA-N -1 0 335.812 3.461 20 30 EGEDRM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000775748034 1304027855 /nfs/dbraw/zinc/02/78/55/1304027855.db2.gz VFZMCZIPXXETGO-SSDOTTSWSA-N -1 0 343.317 3.405 20 30 EGEDRM Cc1nc(C)c(C(C)N=Nc2cc(C#N)cc(Cl)n2)cc1C(=O)[O-] ZINC000776725605 1304188080 /nfs/dbraw/zinc/18/80/80/1304188080.db2.gz BXNOFNIQLJDPFX-UHFFFAOYSA-N -1 0 343.774 3.153 20 30 EGEDRM CC(N=Nc1cc(C#N)cc(Cl)n1)c1ccc(C(=O)[O-])c(F)c1 ZINC000776777085 1304197335 /nfs/dbraw/zinc/19/73/35/1304197335.db2.gz VCUUHHMZSBJLLO-UHFFFAOYSA-N -1 0 332.722 3.280 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cc(C)n([C@@H](C)CC)n1 ZINC000778295657 1304432658 /nfs/dbraw/zinc/43/26/58/1304432658.db2.gz RUSOUVQXQIWLCT-DZGCQCFKSA-N -1 0 332.448 3.182 20 30 EGEDRM C=CCC[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(F)cc1)c1ccccc1 ZINC000778595572 1304471746 /nfs/dbraw/zinc/47/17/46/1304471746.db2.gz KNACSVZXDBEYLV-QGZVFWFLSA-N -1 0 347.411 3.381 20 30 EGEDRM Cc1ccccc1[C@@H](C)CC(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC000779312796 1304554938 /nfs/dbraw/zinc/55/49/38/1304554938.db2.gz GSWOTULCUYADJZ-HNNXBMFYSA-N -1 0 348.468 3.019 20 30 EGEDRM O=C([O-])c1cc(/C=C2\CCOc3ccc(F)cc3C2=O)ccc1O ZINC000779357669 1304560970 /nfs/dbraw/zinc/56/09/70/1304560970.db2.gz BOTKIANWCZGXQR-YRNVUSSQSA-N -1 0 328.295 3.278 20 30 EGEDRM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccccc2O[C@H](C)C#N)c1 ZINC000779846199 1304614037 /nfs/dbraw/zinc/61/40/37/1304614037.db2.gz XVBACTBXYXFCJO-GFCCVEGCSA-N -1 0 334.372 3.226 20 30 EGEDRM O=C([O-])c1csc(/C=C\C(=O)c2ccc(N3CCOC3=O)cc2)c1 ZINC000782199047 1304930165 /nfs/dbraw/zinc/93/01/65/1304930165.db2.gz AMSBZOQTWCHQGU-WAYWQWQTSA-N -1 0 343.360 3.299 20 30 EGEDRM CCC(=O)c1ccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)cc1 ZINC000783351020 1305083180 /nfs/dbraw/zinc/08/31/80/1305083180.db2.gz RIBOHXLWXIJTNC-MRXNPFEDSA-N -1 0 326.396 3.051 20 30 EGEDRM C=C1CCC(C(=O)[N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)CC1 ZINC000892852501 1305578695 /nfs/dbraw/zinc/57/86/95/1305578695.db2.gz AHRFQOSHMZYXOO-UHFFFAOYSA-N -1 0 345.823 3.339 20 30 EGEDRM Cc1cc(F)cc(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)c1 ZINC000786534327 1305591121 /nfs/dbraw/zinc/59/11/21/1305591121.db2.gz JORURISQXKSGBA-MRXNPFEDSA-N -1 0 344.773 3.426 20 30 EGEDRM CSc1ccc(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)o1 ZINC000786541147 1305594087 /nfs/dbraw/zinc/59/40/87/1305594087.db2.gz WASRKMOGOWZRBG-GFCCVEGCSA-N -1 0 348.811 3.294 20 30 EGEDRM CCc1ccsc1C([O-])=C(C#N)C(=O)NCc1cccc(C)c1 ZINC000786551578 1305596867 /nfs/dbraw/zinc/59/68/67/1305596867.db2.gz YVGMEGKZSQFSFX-HNNXBMFYSA-N -1 0 326.421 3.258 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)C(=O)NCc2ccc(F)c(F)c2)c(C)s1 ZINC000786566226 1305600608 /nfs/dbraw/zinc/60/06/08/1305600608.db2.gz XJNDWTDUXVNMLO-CYBMUJFWSA-N -1 0 348.374 3.282 20 30 EGEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1ccc(C#N)s1)c1ccccc1 ZINC000787039222 1305681331 /nfs/dbraw/zinc/68/13/31/1305681331.db2.gz QGYGNEPDBGYHJB-LSDHHAIUSA-N -1 0 337.404 3.210 20 30 EGEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1ccn(C(C)C)n1)c1ccccc1 ZINC000787041068 1305681566 /nfs/dbraw/zinc/68/15/66/1305681566.db2.gz YEKKRNYHOUAJQS-JKSUJKDBSA-N -1 0 338.411 3.054 20 30 EGEDRM C#CCCS(=O)(=O)[N-]C(=O)c1cc2sc3ccccc3c2s1 ZINC000788070952 1305858532 /nfs/dbraw/zinc/85/85/32/1305858532.db2.gz NOPAEJPMTUHTLB-UHFFFAOYSA-N -1 0 349.458 3.199 20 30 EGEDRM O=C([O-])[C@H]1CCC(N=Nc2ncnc3sccc32)c2ccccc21 ZINC000788981095 1306057418 /nfs/dbraw/zinc/05/74/18/1306057418.db2.gz PGEHIHAKKWPRJW-LBPRGKRZSA-N -1 0 338.392 3.470 20 30 EGEDRM N#Cc1ccc(N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c(Cl)c1 ZINC000893911312 1306125976 /nfs/dbraw/zinc/12/59/76/1306125976.db2.gz ACJIWJFIJOYODY-LLVKDONJSA-N -1 0 345.752 3.107 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc3ocnc32)cc1Cl ZINC000790005840 1306247312 /nfs/dbraw/zinc/24/73/12/1306247312.db2.gz XHHSINWEVJNGLY-UHFFFAOYSA-N -1 0 333.756 3.154 20 30 EGEDRM CC(N=Nc1cccc(F)c1[N+](=O)[O-])c1ccc([O-])c([N+](=O)[O-])c1 ZINC000790307360 1306296562 /nfs/dbraw/zinc/29/65/62/1306296562.db2.gz WZXCVVPOEIKBAB-UHFFFAOYSA-N -1 0 334.263 3.184 20 30 EGEDRM CC[C@@H](NN=Cc1sc(Nc2ccccc2)nc1Cl)C(=O)[O-] ZINC000793057633 1309288000 /nfs/dbraw/zinc/28/80/00/1309288000.db2.gz ORSVZDPTNPOHSS-SNVBAGLBSA-N -1 0 338.820 3.327 20 30 EGEDRM CC[C@H](NN=C(C)c1ccc(Br)cc1Cl)C(=O)[O-] ZINC000793055746 1309288234 /nfs/dbraw/zinc/28/82/34/1309288234.db2.gz OOXGRIUGTMEHKI-NSHDSACASA-N -1 0 333.613 3.279 20 30 EGEDRM COC(=O)c1csc(C(=O)/C=C\c2ccc([N+](=O)[O-])c([O-])c2)c1 ZINC000794723497 1309581949 /nfs/dbraw/zinc/58/19/49/1309581949.db2.gz GOMAKNMCFKJNGJ-HYXAFXHYSA-N -1 0 333.321 3.045 20 30 EGEDRM Cc1c(NN=Cc2ccc(O[C@@H](C)C(=O)[O-])cc2)cccc1[N+](=O)[O-] ZINC000794904598 1309619249 /nfs/dbraw/zinc/61/92/49/1309619249.db2.gz LIEGEMXADKOUFD-LBPRGKRZSA-N -1 0 343.339 3.201 20 30 EGEDRM C[C@H](Oc1cccc(/C=C2/CCc3ccc(O)cc3C2=O)c1)C(=O)[O-] ZINC000794960237 1309633445 /nfs/dbraw/zinc/63/34/45/1309633445.db2.gz OVERPJJECCNHRT-ZENNRRHLSA-N -1 0 338.359 3.457 20 30 EGEDRM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(C#N)o2)cc1 ZINC000796743003 1310076765 /nfs/dbraw/zinc/07/67/65/1310076765.db2.gz DXXWGDLSAGXILH-INIZCTEOSA-N -1 0 335.363 3.455 20 30 EGEDRM N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)=C([O-])c1cncs1 ZINC000796744534 1310078514 /nfs/dbraw/zinc/07/85/14/1310078514.db2.gz JCEBBQGCLWDZDJ-SNVBAGLBSA-N -1 0 340.191 3.411 20 30 EGEDRM C=CCC[C@H](C(=O)[N-]S(=O)(=O)CCC(F)(F)F)c1ccccc1 ZINC000797256003 1310164294 /nfs/dbraw/zinc/16/42/94/1310164294.db2.gz XYCHWUNTRLSRIL-ZDUSSCGKSA-N -1 0 349.374 3.135 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)Nc1ccc(C)c(-c2nc(C)co2)c1 ZINC000797746976 1310241750 /nfs/dbraw/zinc/24/17/50/1310241750.db2.gz BNQBRQVZDMNZEM-UHFFFAOYSA-N -1 0 329.356 3.063 20 30 EGEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1ccc(C)c(C#N)c1)c1ccccc1 ZINC000799626982 1310590469 /nfs/dbraw/zinc/59/04/69/1310590469.db2.gz MEBLPJYYMHCAIU-OALUTQOASA-N -1 0 345.402 3.457 20 30 EGEDRM O=C([O-])Cn1cc(C=NNc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000799865916 1310630228 /nfs/dbraw/zinc/63/02/28/1310630228.db2.gz NXAHZSJRUPKQLI-UHFFFAOYSA-N -1 0 338.323 3.080 20 30 EGEDRM Cc1cccc(Oc2ccc(C([O-])=C(C#N)C(=O)NC(C)C)nc2)c1 ZINC000838787150 1320816847 /nfs/dbraw/zinc/81/68/47/1320816847.db2.gz HFXIIOIWYBHNFR-INIZCTEOSA-N -1 0 337.379 3.029 20 30 EGEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1cccc(N(C)C)c1)c1ccccc1 ZINC000802219254 1316990533 /nfs/dbraw/zinc/99/05/33/1316990533.db2.gz ULCGYPNJUZUQMP-RBUKOAKNSA-N -1 0 349.434 3.343 20 30 EGEDRM COc1ccc(C(=O)/C=C/c2c(C)nn(-c3ccccn3)c2C)c([O-])c1 ZINC000802705142 1317026224 /nfs/dbraw/zinc/02/62/24/1317026224.db2.gz BNYFVQGIGHBOQX-MDZDMXLPSA-N -1 0 349.390 3.494 20 30 EGEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1occ2c1CCC2)c1ccccc1 ZINC000802799101 1317042373 /nfs/dbraw/zinc/04/23/73/1317042373.db2.gz FJRWJJNYZWBCKE-DLBZAZTESA-N -1 0 336.391 3.358 20 30 EGEDRM C=CCC(CC=C)C(=O)[N-]S(=O)(=O)c1csc2ccccc21 ZINC000803032442 1317072979 /nfs/dbraw/zinc/07/29/79/1317072979.db2.gz SNVURCNRGDPHCS-UHFFFAOYSA-N -1 0 335.450 3.475 20 30 EGEDRM C[C@@]1(C(=O)[O-])[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000899776616 1317153380 /nfs/dbraw/zinc/15/33/80/1317153380.db2.gz YXDHRYDDOOJTIC-VMNRDUPSSA-N -1 0 338.407 3.061 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)Nc1cc(Br)c(C)cc1C ZINC000900336293 1317275439 /nfs/dbraw/zinc/27/54/39/1317275439.db2.gz RDKQOLDLSXMERN-UHFFFAOYSA-N -1 0 341.205 3.170 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)Nc1cccc(COC(C)(C)C)c1C ZINC000900343068 1317277486 /nfs/dbraw/zinc/27/74/86/1317277486.db2.gz COGXUCKWFVHZDG-UHFFFAOYSA-N -1 0 334.416 3.415 20 30 EGEDRM CCCn1nc(C)c(/C=C2\CCc3occ(C(=O)[O-])c3C2=O)c1C ZINC000901516233 1317437381 /nfs/dbraw/zinc/43/73/81/1317437381.db2.gz SKXYLJRYTAADOE-XYOKQWHBSA-N -1 0 328.368 3.414 20 30 EGEDRM CC(C)(C)OCc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)nc1 ZINC000901737213 1317470187 /nfs/dbraw/zinc/47/01/87/1317470187.db2.gz BENHLFMMUORFSY-UHFFFAOYSA-N -1 0 345.424 3.069 20 30 EGEDRM CCOC(=O)c1ccc(/C=C2/C[C@@H](C(=O)[O-])c3ccccc3C2=O)o1 ZINC000806563229 1317502333 /nfs/dbraw/zinc/50/23/33/1317502333.db2.gz UCKRXYVVIJHYGG-ZHUYAKLQSA-N -1 0 340.331 3.295 20 30 EGEDRM O=C([O-])CCOc1ccc(/C=C2/Cc3nc(Cl)ccc3C2=O)cc1 ZINC000806579617 1317505988 /nfs/dbraw/zinc/50/59/88/1317505988.db2.gz MDVFODNPGZQFRE-XFXZXTDPSA-N -1 0 343.766 3.411 20 30 EGEDRM C=CCC[C@@H](NC(=O)C(=O)[N-]OC1CCCCC1)c1ccccc1 ZINC000807663848 1317576686 /nfs/dbraw/zinc/57/66/86/1317576686.db2.gz SCDLZLXIYURQNJ-QGZVFWFLSA-N -1 0 330.428 3.191 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1N=NCc1ccc(C(C)(C)O)cc1 ZINC000807981600 1317607037 /nfs/dbraw/zinc/60/70/37/1317607037.db2.gz JWGDIPGVIAEFBE-UHFFFAOYSA-N -1 0 328.368 3.067 20 30 EGEDRM CC(=NN[C@@H]1CCSC1)c1cc(Br)c(F)cc1[O-] ZINC000807999998 1317610807 /nfs/dbraw/zinc/61/08/07/1317610807.db2.gz DSDBUAGOPNUDFC-MRVPVSSYSA-N -1 0 333.226 3.113 20 30 EGEDRM COc1ccc2cc([N-]S(=O)(=O)c3ccc(C#N)o3)ccc2c1 ZINC000808112666 1317625555 /nfs/dbraw/zinc/62/55/55/1317625555.db2.gz HUYMCPZARPXYEZ-UHFFFAOYSA-N -1 0 328.349 3.114 20 30 EGEDRM Cc1cc(C#N)c([N-]S(=O)(=O)c2cnn(C3CCCC3)c2)s1 ZINC000903169433 1317667841 /nfs/dbraw/zinc/66/78/41/1317667841.db2.gz KJPWCHFDKAJGCC-UHFFFAOYSA-N -1 0 336.442 3.041 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H](C)c2ccc3ccccc3c2)CC1 ZINC000810980809 1318085584 /nfs/dbraw/zinc/08/55/84/1318085584.db2.gz FZMQBRVMVPMBGO-AWEZNQCLSA-N -1 0 343.448 3.498 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)CCCc2ccc(Cl)cc2)CC1 ZINC000810988717 1318087718 /nfs/dbraw/zinc/08/77/18/1318087718.db2.gz VRQAXQROORYZJK-UHFFFAOYSA-N -1 0 341.860 3.217 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)Cc2coc3cc(C)c(C)cc23)CC1 ZINC000810988816 1318088088 /nfs/dbraw/zinc/08/80/88/1318088088.db2.gz XVRDWYRLZIBZBR-UHFFFAOYSA-N -1 0 347.436 3.147 20 30 EGEDRM N#Cc1ccc2c(c1)C(=O)/C(=C/c1ccc(OCCC(=O)[O-])cc1)C2 ZINC000811696342 1318229885 /nfs/dbraw/zinc/22/98/85/1318229885.db2.gz SOLSCZFGWMARJE-CXUHLZMHSA-N -1 0 333.343 3.234 20 30 EGEDRM CN(CC(=O)[O-])c1ccc(C(F)(F)F)cc1C=NOC1CCC1 ZINC000812236983 1318349408 /nfs/dbraw/zinc/34/94/08/1318349408.db2.gz DCAUHYWMTPUNGU-UHFFFAOYSA-N -1 0 330.306 3.129 20 30 EGEDRM N#CCc1cccc(C(=O)N2CCC[C@@]2(Cc2ccccc2)C(=O)[O-])c1 ZINC000910111604 1318568806 /nfs/dbraw/zinc/56/88/06/1318568806.db2.gz WSECMDHVBUQCJU-OAQYLSRUSA-N -1 0 348.402 3.055 20 30 EGEDRM O=C([O-])C1(c2ccccc2)CC(N=Nc2ccccc2[N+](=O)[O-])C1 ZINC000814685613 1318799231 /nfs/dbraw/zinc/79/92/31/1318799231.db2.gz LELVBFMYADSNJW-UHFFFAOYSA-N -1 0 325.324 3.179 20 30 EGEDRM C[C@@H]1CC(=NNC(=S)N[C@@H]2CCC[C@H](C)[C@H]2C)CC[C@H]1C(=O)[O-] ZINC000814758720 1318810390 /nfs/dbraw/zinc/81/03/90/1318810390.db2.gz GFFZZAXPSWOAPI-PGKPSXLWSA-N -1 0 339.505 3.152 20 30 EGEDRM O=C([O-])c1ccccc1NN=Cc1ccc(Cl)cc1-n1cncn1 ZINC000814768652 1318812224 /nfs/dbraw/zinc/81/22/24/1318812224.db2.gz HHIMSMVDWJAPBK-UHFFFAOYSA-N -1 0 341.758 3.065 20 30 EGEDRM CC(CCc1ccc(OCCC(=O)[O-])cc1)=NOCc1cccnc1 ZINC000814884397 1318838227 /nfs/dbraw/zinc/83/82/27/1318838227.db2.gz WIBAVIDRYXRNNP-UHFFFAOYSA-N -1 0 342.395 3.460 20 30 EGEDRM CN(C)c1ccccc1CNN=C1CC(C(=O)[O-])(c2ccccc2)C1 ZINC000814926279 1318851649 /nfs/dbraw/zinc/85/16/49/1318851649.db2.gz UUZFYFFCKOLSKP-UHFFFAOYSA-N -1 0 337.423 3.015 20 30 EGEDRM CCOc1ccc(NN=Cc2ccc(OC)cc2OCC(=O)[O-])cc1 ZINC000814985040 1318864781 /nfs/dbraw/zinc/86/47/81/1318864781.db2.gz PFOPFFIVYPUPFY-UHFFFAOYSA-N -1 0 344.367 3.003 20 30 EGEDRM CCCCCCCCNS(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000815027905 1318869848 /nfs/dbraw/zinc/86/98/48/1318869848.db2.gz ZGCZBEZFJFUXJH-UHFFFAOYSA-N -1 0 341.399 3.078 20 30 EGEDRM N#Cc1nc(NC(=O)C2c3ccccc3Oc3ccccc32)[n-]c1C#N ZINC000914535411 1319342445 /nfs/dbraw/zinc/34/24/45/1319342445.db2.gz JJBNIGSETNYBBL-UHFFFAOYSA-N -1 0 341.330 3.029 20 30 EGEDRM CC(C)Oc1ccc(C=Nn2c(=S)[n-]nc2C(F)(F)F)cc1 ZINC000915944735 1319567963 /nfs/dbraw/zinc/56/79/63/1319567963.db2.gz INJRMCCNQQAZBT-UHFFFAOYSA-N -1 0 330.335 3.255 20 30 EGEDRM O=C([O-])Cc1ccc(C(=O)/C=C\c2ccc(-n3cccn3)cc2)cc1 ZINC000915988150 1319579248 /nfs/dbraw/zinc/57/92/48/1319579248.db2.gz QLPSQJACSVXGNJ-WDZFZDKYSA-N -1 0 332.359 3.396 20 30 EGEDRM O=C([O-])Cc1ccc(C(=O)/C=C\c2cccc3c2OCCCO3)cc1 ZINC000917146248 1319763345 /nfs/dbraw/zinc/76/33/45/1319763345.db2.gz WXVSLDBPIKPRPN-KTKRTIGZSA-N -1 0 338.359 3.371 20 30 EGEDRM C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000819939213 1319807585 /nfs/dbraw/zinc/80/75/85/1319807585.db2.gz XUSRBXJUSHIRNJ-UHFFFAOYSA-N -1 0 335.347 3.113 20 30 EGEDRM Cc1ccc2c(C=Nn3c(=S)[n-]nc3C(F)(F)F)c[nH]c2c1 ZINC000917534450 1319830878 /nfs/dbraw/zinc/83/08/78/1319830878.db2.gz JCCCHHRMDFOMPV-UHFFFAOYSA-N -1 0 325.319 3.258 20 30 EGEDRM C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1C ZINC000820902005 1319977348 /nfs/dbraw/zinc/97/73/48/1319977348.db2.gz PGYYTKULUHAELH-UHFFFAOYSA-N -1 0 345.848 3.064 20 30 EGEDRM C=CCO[N-]C(=O)[C@@H](NC(=O)OC(C)(C)C)c1cccc(Cl)c1 ZINC000837047621 1320568951 /nfs/dbraw/zinc/56/89/51/1320568951.db2.gz HJFDPHJFDVRYCX-ZDUSSCGKSA-N -1 0 340.807 3.140 20 30 EGEDRM CCCCCCCCCCC(=O)[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000839015972 1320850837 /nfs/dbraw/zinc/85/08/37/1320850837.db2.gz UNDQQJWFHCHZFU-UHFFFAOYSA-N -1 0 343.493 3.064 20 30 EGEDRM C=CCC[C@H](/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-])C(=O)OCC ZINC000840710385 1321132481 /nfs/dbraw/zinc/13/24/81/1321132481.db2.gz RWHXPCWQSYVUDJ-UWONZBIMSA-N -1 0 340.763 3.271 20 30 EGEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1ccc(C)c2ccccc12 ZINC000842284430 1321367478 /nfs/dbraw/zinc/36/74/78/1321367478.db2.gz INTOSESFYMZFMR-GOSISDBHSA-N -1 0 338.407 3.014 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc2c(c1)CC(C)(C)O2 ZINC000842683116 1321418236 /nfs/dbraw/zinc/41/82/36/1321418236.db2.gz GWWSDNXVFLZEPS-INIZCTEOSA-N -1 0 342.439 3.419 20 30 EGEDRM C=C[C@@H](C)ON=C(C)c1cc(Br)ccc1OCC(=O)[O-] ZINC000844621030 1321626420 /nfs/dbraw/zinc/62/64/20/1321626420.db2.gz UJFHSPHQNHWDPQ-SECBINFHSA-N -1 0 342.189 3.228 20 30 EGEDRM Cc1c(N=NC2CCN(C(=O)OC(C)(C)C)CC2)cccc1C(=O)[O-] ZINC000844623482 1321626582 /nfs/dbraw/zinc/62/65/82/1321626582.db2.gz KVWHBGONPOISSU-UHFFFAOYSA-N -1 0 347.415 3.492 20 30 EGEDRM C=C(C)CO[N-]C(=O)C(=O)Nc1cc(Cl)ccc1SC(C)C ZINC000846149010 1321772193 /nfs/dbraw/zinc/77/21/93/1321772193.db2.gz FOQXHQIQPJQMDG-UHFFFAOYSA-N -1 0 342.848 3.403 20 30 EGEDRM C=CCN(CC(=O)[O-])Cc1coc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000846263010 1321781097 /nfs/dbraw/zinc/78/10/97/1321781097.db2.gz QRVJMBMEFSZKPC-UHFFFAOYSA-N -1 0 340.301 3.433 20 30 EGEDRM C=C(C)CO[N-]C(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000846539609 1321791674 /nfs/dbraw/zinc/79/16/74/1321791674.db2.gz JXKHAGOYRXLJRE-MRXNPFEDSA-N -1 0 342.361 3.065 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cc(Cl)nc(C2CC2)c1 ZINC000847622952 1321884817 /nfs/dbraw/zinc/88/48/17/1321884817.db2.gz VNSFQYXRXBSMPA-CYBMUJFWSA-N -1 0 333.819 3.241 20 30 EGEDRM COc1ccc(CCC(C)N=Nc2ccc(CC(=O)[O-])cc2)cc1O ZINC000848414716 1321958428 /nfs/dbraw/zinc/95/84/28/1321958428.db2.gz QWSNRYUBYJQPJY-UHFFFAOYSA-N -1 0 342.395 3.449 20 30 EGEDRM CCCCCCCOC(=O)c1ccc(F)cc1[N-]S(C)(=O)=O ZINC000919341326 1322059620 /nfs/dbraw/zinc/05/96/20/1322059620.db2.gz UJPVFERUYQXTKZ-UHFFFAOYSA-N -1 0 331.409 3.324 20 30 EGEDRM C[C@@H]1CN(CC/N=C/c2cc(Cl)cc(Cl)c2[O-])[C@@H](C)CO1 ZINC000849169292 1322093662 /nfs/dbraw/zinc/09/36/62/1322093662.db2.gz ASLWGHRBGJDPIE-VJHNABCBSA-N -1 0 331.243 3.227 20 30 EGEDRM CCCc1cc(C(=O)C(C#N)=C([O-])c2c(C)[nH]c3ccccc32)n[nH]1 ZINC000920106256 1322136991 /nfs/dbraw/zinc/13/69/91/1322136991.db2.gz LWLFRXOPGDDWOH-CQSZACIVSA-N -1 0 334.379 3.357 20 30 EGEDRM COc1cc(/C=C2\Cc3c(cccc3F)C2=O)ccc1OCC(=O)[O-] ZINC000921267102 1322282314 /nfs/dbraw/zinc/28/23/14/1322282314.db2.gz XGQHGGYNTNZIDM-KPKJPENVSA-N -1 0 342.322 3.120 20 30 EGEDRM Cn1ccc(C([O-])=C(C#N)C(=O)NC2CCCC2)c1-c1ccccc1 ZINC000850767472 1322285828 /nfs/dbraw/zinc/28/58/28/1322285828.db2.gz BYHMOTUELBDGBC-KRWDZBQOSA-N -1 0 335.407 3.073 20 30 EGEDRM CCc1ccc(CS(=O)(=O)[N-]C(=O)CC2(C#N)CCCCC2)cc1 ZINC000850960751 1322317324 /nfs/dbraw/zinc/31/73/24/1322317324.db2.gz LYZJGDNFKQSPTD-UHFFFAOYSA-N -1 0 348.468 3.059 20 30 EGEDRM CCCn1nccc1/C=C\C(=O)c1ccc(OCCCC(=O)[O-])cc1 ZINC000853003141 1323258448 /nfs/dbraw/zinc/25/84/48/1323258448.db2.gz DPQYPNKHRQTECG-YFHOEESVSA-N -1 0 342.395 3.433 20 30 EGEDRM CC(C)NC(=O)C(C#N)=C([O-])c1ccc(OC(F)(F)F)c(Cl)c1 ZINC000860473134 1329321689 /nfs/dbraw/zinc/32/16/89/1329321689.db2.gz TZIJQVLCRGKIAG-SECBINFHSA-N -1 0 348.708 3.086 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)N[C@H](CC)c1ccccc1OC(F)F ZINC000929032949 1328492362 /nfs/dbraw/zinc/49/23/62/1328492362.db2.gz XUAONLQYOCPQDZ-GFCCVEGCSA-N -1 0 342.342 3.021 20 30 EGEDRM CC(C)(C)OC(=O)N[C@H]1CCC(N=Nc2cccc(C(=O)[O-])c2)C1 ZINC000863064017 1329527152 /nfs/dbraw/zinc/52/71/52/1329527152.db2.gz AVYSTCGSYSRUEC-LBPRGKRZSA-N -1 0 333.388 3.230 20 30 EGEDRM C=CCC[C@@H](NC(=O)/C=C/c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000864142314 1329601536 /nfs/dbraw/zinc/60/15/36/1329601536.db2.gz GBISQRKIYANMPL-WTNCMQEWSA-N -1 0 327.302 3.254 20 30 EGEDRM CC(C)CN(CCC#N)C(=O)c1cc(Br)cc(F)c1[O-] ZINC000865027003 1329662856 /nfs/dbraw/zinc/66/28/56/1329662856.db2.gz DYRCWIUAIRRODQ-UHFFFAOYSA-N -1 0 343.196 3.306 20 30 EGEDRM C=CCC[C@H](NC(=O)Cc1cc(=O)n(CC(C)C)[n-]1)c1ccccc1 ZINC000934996496 1330022233 /nfs/dbraw/zinc/02/22/33/1330022233.db2.gz MNUYKNJNPBBHNG-SFHVURJKSA-N -1 0 341.455 3.199 20 30 EGEDRM C=CCCCC(=O)N[C@H]1CCN(C(=O)c2ccccc2O)CC1(C)C ZINC001073477362 1355812200 /nfs/dbraw/zinc/81/22/00/1355812200.db2.gz IQCDRQQZHDBKIR-KRWDZBQOSA-N -1 0 344.455 3.105 20 30 EGEDRM C[C@@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC001323564264 1387390355 /nfs/dbraw/zinc/39/03/55/1387390355.db2.gz RLEXTJCCIVSQPF-AWEZNQCLSA-N -1 0 340.489 3.123 20 30 EGEDRM Cc1cc(C)cc(OC[C@H](C)NC(=O)CCC(=O)C2=CC=C[CH]2)c1 ZINC001184244665 1387418684 /nfs/dbraw/zinc/41/86/84/1387418684.db2.gz SVGLQEUVDLFTSI-INIZCTEOSA-N -1 0 326.416 3.237 20 30 EGEDRM COc1ncc(NC(=O)CCC(=O)C2=CC=C[CH]2)cc1C(F)(F)F ZINC001184241697 1387418756 /nfs/dbraw/zinc/41/87/56/1387418756.db2.gz XPUUPBYQJTYTEB-UHFFFAOYSA-N -1 0 339.293 3.097 20 30 EGEDRM Cc1ccc(S(=O)(=O)Nc2ccc([C@@H](C)C#N)cc2)cc1C(=O)[O-] ZINC001184695646 1387511856 /nfs/dbraw/zinc/51/18/56/1387511856.db2.gz BQPAFKYXKKFKQD-LBPRGKRZSA-N -1 0 344.392 3.121 20 30 EGEDRM N#Cc1c(F)cccc1[N-]S(=O)(=O)c1ccc(-c2cnco2)cc1 ZINC001185222022 1387656001 /nfs/dbraw/zinc/65/60/01/1387656001.db2.gz OFMXPTHUBBOVOY-UHFFFAOYSA-N -1 0 343.339 3.153 20 30 EGEDRM COc1ccc2[nH]cc(/C=C/C(=O)Nc3ccc(C#N)cc3O)c2c1 ZINC001185755526 1387790979 /nfs/dbraw/zinc/79/09/79/1387790979.db2.gz OZRFIEYCNYYKLA-XVNBXDOJSA-N -1 0 333.347 3.406 20 30 EGEDRM N#Cc1c(F)ccc(F)c1[N-]S(=O)(=O)Cc1ccc(F)cc1F ZINC001189831068 1367117168 /nfs/dbraw/zinc/11/71/68/1367117168.db2.gz ISYSUVRBYJNRJR-UHFFFAOYSA-N -1 0 344.289 3.057 20 30 EGEDRM N#Cc1cccc(NC(=O)c2cc(Br)ccc2[S-])n1 ZINC001189951489 1367138068 /nfs/dbraw/zinc/13/80/68/1367138068.db2.gz PKXTYSOGRIQFAS-UHFFFAOYSA-N -1 0 334.198 3.257 20 30 EGEDRM CC(C)C[C@@H](C#N)NC(=O)c1cc(Br)ccc1[S-] ZINC001189969625 1367141948 /nfs/dbraw/zinc/14/19/48/1367141948.db2.gz LRQWVBGWTBZOGZ-JTQLQIEISA-N -1 0 327.247 3.406 20 30 EGEDRM N#Cc1cc(F)c(F)cc1[N-]S(=O)(=O)c1cc(F)cc(F)c1F ZINC001190392346 1367250441 /nfs/dbraw/zinc/25/04/41/1367250441.db2.gz QLXJZNFVHLVYOW-UHFFFAOYSA-N -1 0 348.252 3.055 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc3sncc3c2)c1 ZINC001190651005 1367316390 /nfs/dbraw/zinc/31/63/90/1367316390.db2.gz RTNXACMEYPKUNZ-UHFFFAOYSA-N -1 0 333.369 3.108 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)N[C@@H]2CCC[C@H]3CCCC[C@H]32)c1 ZINC001190665501 1367322179 /nfs/dbraw/zinc/32/21/79/1367322179.db2.gz NPTBFBHPPIWHJH-IIAWOOMASA-N -1 0 336.432 3.335 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]c2ccc(Br)cc2C#N)CC1 ZINC001190805957 1367354587 /nfs/dbraw/zinc/35/45/87/1367354587.db2.gz YSLIVJVYLKOLDH-UHFFFAOYSA-N -1 0 341.230 3.171 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-][C@@H](c2ccc(O)cc2)C(F)(F)F)CC1 ZINC001190834862 1367363708 /nfs/dbraw/zinc/36/37/08/1367363708.db2.gz PWAVDARBYFGXEY-LBPRGKRZSA-N -1 0 335.347 3.024 20 30 EGEDRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1scc(C)c1C#N ZINC001191779545 1367584279 /nfs/dbraw/zinc/58/42/79/1367584279.db2.gz DYLCILHUTWKCBF-UHFFFAOYSA-N -1 0 336.438 3.436 20 30 EGEDRM N#Cc1cccc(C#N)c1[N-]S(=O)(=O)Cc1ccc(Cl)cc1F ZINC001191894541 1367629239 /nfs/dbraw/zinc/62/92/39/1367629239.db2.gz XMAQOVCTOFJMIX-UHFFFAOYSA-N -1 0 349.774 3.164 20 30 EGEDRM C=CC[C@H](NC(=O)Nc1cccc(C(=O)c2ccccc2)c1)C(=O)[O-] ZINC001325067286 1387895125 /nfs/dbraw/zinc/89/51/25/1387895125.db2.gz WLMAQFXKGRNWDT-INIZCTEOSA-N -1 0 338.363 3.068 20 30 EGEDRM Cc1cc(Cl)ncc1S(=O)(=O)[N-]c1ccc(C#N)c(Cl)c1 ZINC001192304230 1367743680 /nfs/dbraw/zinc/74/36/80/1367743680.db2.gz PNXOYADDYFEASL-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM CCc1cc(C#N)ccc1[N-]S(=O)(=O)c1cnc(Cl)cc1C ZINC001192355963 1367761663 /nfs/dbraw/zinc/76/16/63/1367761663.db2.gz MIHKQSAYKMQLGV-UHFFFAOYSA-N -1 0 335.816 3.278 20 30 EGEDRM Cc1cc(C#N)c([N-]S(=O)(=O)c2cnccc2Cl)cc1Cl ZINC001192900600 1367899764 /nfs/dbraw/zinc/89/97/64/1367899764.db2.gz LFLKJKXPVCPQSI-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1sc2cc(Cl)ccc2c1C#N ZINC001193104985 1367945603 /nfs/dbraw/zinc/94/56/03/1367945603.db2.gz PKMDJABRCRRINL-ZETCQYMHSA-N -1 0 325.802 3.080 20 30 EGEDRM C[C@H](C#N)S(=O)(=O)[N-]c1cccc(F)c1OC1CCCCC1 ZINC001193158395 1367956126 /nfs/dbraw/zinc/95/61/26/1367956126.db2.gz PQUSPDWIYKABLQ-LLVKDONJSA-N -1 0 326.393 3.191 20 30 EGEDRM C[C@H](C#N)S(=O)(=O)[N-]c1ccc(F)cc1OCc1ccccc1 ZINC001193161099 1367957038 /nfs/dbraw/zinc/95/70/38/1367957038.db2.gz LGLFGMNRLBFFPT-GFCCVEGCSA-N -1 0 334.372 3.058 20 30 EGEDRM C[C@@H](c1ccccc1)N(Cc1ccc(C#N)cc1)C(=O)c1cc(=O)[nH][n-]1 ZINC001193467826 1368037381 /nfs/dbraw/zinc/03/73/81/1368037381.db2.gz XHMKERNWJBTQEI-AWEZNQCLSA-N -1 0 346.390 3.391 20 30 EGEDRM N#Cc1cc(C(=O)Nc2ncccc2OCc2ccccc2)ccc1[O-] ZINC001193495094 1368045440 /nfs/dbraw/zinc/04/54/40/1368045440.db2.gz WLOFNMIKUWACGV-UHFFFAOYSA-N -1 0 345.358 3.490 20 30 EGEDRM C[C@H]1OC2(CCN(C(=O)c3ccc([O-])c(C#N)c3)CC2)c2ccccc21 ZINC001193505655 1368048165 /nfs/dbraw/zinc/04/81/65/1368048165.db2.gz LHVQOTWRSXFDLE-CQSZACIVSA-N -1 0 348.402 3.487 20 30 EGEDRM CCOC(=O)c1cc2cc[nH]c2cc1NC(=O)c1cccc(C#N)c1[O-] ZINC001193646030 1368082973 /nfs/dbraw/zinc/08/29/73/1368082973.db2.gz APWCZVNUEBTJRS-UHFFFAOYSA-N -1 0 349.346 3.174 20 30 EGEDRM N#Cc1cc(NC(=O)c2nccc(Cl)c2Cl)c([O-])cc1F ZINC001195458856 1368439564 /nfs/dbraw/zinc/43/95/64/1368439564.db2.gz HYYRVPDVPZBJOT-UHFFFAOYSA-N -1 0 326.114 3.357 20 30 EGEDRM CC(C)c1cc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)on1 ZINC001196643394 1368655639 /nfs/dbraw/zinc/65/56/39/1368655639.db2.gz DDJAEMFESVFNJC-UHFFFAOYSA-N -1 0 325.777 3.124 20 30 EGEDRM COc1ccc(F)c(S(=O)(=O)[N-]c2c(C)cc(C#N)cc2C)c1 ZINC001196760858 1368678333 /nfs/dbraw/zinc/67/83/33/1368678333.db2.gz GMLBNJCLUMZHAM-UHFFFAOYSA-N -1 0 334.372 3.124 20 30 EGEDRM N#Cc1ncc(Cl)cc1NC(=S)Nc1ccc(C(=O)[O-])cc1 ZINC001197083322 1368741804 /nfs/dbraw/zinc/74/18/04/1368741804.db2.gz LRWNFQGGDSIVNL-UHFFFAOYSA-N -1 0 332.772 3.114 20 30 EGEDRM CCc1cc(C(=O)Nc2nc(Br)ccc2[O-])ccc1C#N ZINC001197272873 1368777244 /nfs/dbraw/zinc/77/72/44/1368777244.db2.gz FALZOCQLCMHEFH-UHFFFAOYSA-N -1 0 346.184 3.236 20 30 EGEDRM COC(=O)c1cccc(C(=O)Nc2c(C#N)ccc(F)c2F)c1F ZINC001197652409 1368864383 /nfs/dbraw/zinc/86/43/83/1368864383.db2.gz FXNZOFOXRJEPAF-UHFFFAOYSA-N -1 0 334.253 3.014 20 30 EGEDRM CC(C)C[C@H](C#N)NS(=O)(=O)Cc1cccc(Cl)c1Cl ZINC001197773579 1368892774 /nfs/dbraw/zinc/89/27/74/1368892774.db2.gz XSIJKPQKEZMZPO-LLVKDONJSA-N -1 0 335.256 3.351 20 30 EGEDRM N#Cc1c2ccccc2sc1[N-]S(=O)(=O)Cc1ccccn1 ZINC001197789509 1368897188 /nfs/dbraw/zinc/89/71/88/1368897188.db2.gz ZOHKNAKGHQZECO-UHFFFAOYSA-N -1 0 329.406 3.110 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2cc(C#N)cc(C(F)(F)F)c2)cn1 ZINC001198315234 1369007840 /nfs/dbraw/zinc/00/78/40/1369007840.db2.gz SKMRWQFUDGDBRO-UHFFFAOYSA-N -1 0 341.314 3.081 20 30 EGEDRM N#Cc1cc(F)cc(F)c1[N-]S(=O)(=O)c1ccc2occc2c1 ZINC001198868590 1369134616 /nfs/dbraw/zinc/13/46/16/1369134616.db2.gz JLFNQSPSEHWVKS-UHFFFAOYSA-N -1 0 334.303 3.383 20 30 EGEDRM CC(C)(C)OC(=O)c1ccc(C(=O)Nc2ccc(O)c(C#N)c2)cc1 ZINC001186869305 1388019000 /nfs/dbraw/zinc/01/90/00/1388019000.db2.gz OUZOLYMSBYPBJQ-UHFFFAOYSA-N -1 0 338.363 3.471 20 30 EGEDRM O=C(CCc1nc(-c2ccc3c(c2)CCCC3=O)no1)C1=CC=C[CH]1 ZINC001204642919 1370535889 /nfs/dbraw/zinc/53/58/89/1370535889.db2.gz JIHMWIQJOZHLJK-UHFFFAOYSA-N -1 0 333.367 3.458 20 30 EGEDRM O=C(CCc1nc(-c2cncc(C(F)(F)F)c2)no1)C1=CC=C[CH]1 ZINC001204655998 1370538083 /nfs/dbraw/zinc/53/80/83/1370538083.db2.gz DNIOPRJVDREIDU-UHFFFAOYSA-N -1 0 334.277 3.353 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)cc(Cl)n1 ZINC001122415601 1372244820 /nfs/dbraw/zinc/24/48/20/1372244820.db2.gz JZRVUJVFECQZJQ-LBPRGKRZSA-N -1 0 337.770 3.059 20 30 EGEDRM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)cc1C#N ZINC001187961244 1388198717 /nfs/dbraw/zinc/19/87/17/1388198717.db2.gz QWBISSXLSXADFE-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM CCCCCCCCS(=O)(=O)[N-]c1ncc(Cl)nc1OC ZINC001187993205 1388207881 /nfs/dbraw/zinc/20/78/81/1388207881.db2.gz NFWJWEDEVYYFRN-UHFFFAOYSA-N -1 0 335.857 3.241 20 30 EGEDRM Cc1cc(Nc2ncc(C#N)cc2Br)cc(C(=O)[O-])c1 ZINC001211535184 1372575188 /nfs/dbraw/zinc/57/51/88/1372575188.db2.gz RYYMHMDLZDRCAJ-UHFFFAOYSA-N -1 0 332.157 3.466 20 30 EGEDRM CCCCCCCCS(=O)(=O)[N-]c1ccc(C(=O)OC)cc1O ZINC001188012573 1388213378 /nfs/dbraw/zinc/21/33/78/1388213378.db2.gz CDBSPXKPYTYXAS-UHFFFAOYSA-N -1 0 343.445 3.281 20 30 EGEDRM N#Cc1cc(F)cc(-c2noc(C(=O)[N-]c3c(F)cccc3F)n2)c1 ZINC001212171352 1372666581 /nfs/dbraw/zinc/66/65/81/1372666581.db2.gz USDOOCMOWOAETL-UHFFFAOYSA-N -1 0 344.252 3.278 20 30 EGEDRM CCCCCCCCS(=O)(=O)[N-]c1cccc2c1C(=O)N(C)C2 ZINC001188017893 1388216438 /nfs/dbraw/zinc/21/64/38/1388216438.db2.gz JJKJJTQOJFDOBF-UHFFFAOYSA-N -1 0 338.473 3.374 20 30 EGEDRM N#Cc1cccc(-c2noc(-c3nc(Br)ccc3[O-])n2)c1 ZINC001213051475 1372828588 /nfs/dbraw/zinc/82/85/88/1372828588.db2.gz XLYJUAGKALQWMW-UHFFFAOYSA-N -1 0 343.140 3.138 20 30 EGEDRM C#Cc1ccc([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)cc1 ZINC001188070771 1388233937 /nfs/dbraw/zinc/23/39/37/1388233937.db2.gz BSGDHFHFTDTNNH-UHFFFAOYSA-N -1 0 327.192 3.171 20 30 EGEDRM COc1cc(C#N)c(Nc2c(F)cc(C(=O)[O-])cc2F)cc1OC ZINC001215612803 1373217438 /nfs/dbraw/zinc/21/74/38/1373217438.db2.gz ATGWVDNVEFVAJQ-UHFFFAOYSA-N -1 0 334.278 3.295 20 30 EGEDRM COc1cc(F)c(-c2noc(-c3ccc(C#N)cc3[O-])n2)cc1OC ZINC001217039403 1373381644 /nfs/dbraw/zinc/38/16/44/1373381644.db2.gz UDIUUDDMKCJCCZ-UHFFFAOYSA-N -1 0 341.298 3.137 20 30 EGEDRM N#Cc1cc(F)cc(-c2noc(-c3c[n-]c4ccccc4c3=O)n2)c1 ZINC001217184771 1373401237 /nfs/dbraw/zinc/40/12/37/1373401237.db2.gz NKGFJATULKTADD-UHFFFAOYSA-N -1 0 332.294 3.256 20 30 EGEDRM N#Cc1ccc(CNC(=O)c2ccc([O-])c(C(F)(F)F)c2)cc1F ZINC001188588187 1388336883 /nfs/dbraw/zinc/33/68/83/1388336883.db2.gz HUXKWMJVNJKLKN-UHFFFAOYSA-N -1 0 338.260 3.352 20 30 EGEDRM C[C@@H](Oc1nccc(/C=N/[O-])n1)c1c(F)c(F)c(F)c(F)c1F ZINC001226252955 1375227862 /nfs/dbraw/zinc/22/78/62/1375227862.db2.gz CCDYZSXGCXIHQX-RGCKPRJHSA-N -1 0 333.216 3.120 20 30 EGEDRM C[Si](C)(C)C#C[C@H](Oc1[n-]c(=O)nc2nc[nH]c21)c1ccccc1 ZINC001227064958 1375384130 /nfs/dbraw/zinc/38/41/30/1375384130.db2.gz QQJCYTZFLPUHDP-ZDUSSCGKSA-N -1 0 338.443 3.059 20 30 EGEDRM C#C[C@@H](C)Oc1cc(OC)ccc1C(=O)c1ccc(OC)cc1[O-] ZINC001228112069 1375518652 /nfs/dbraw/zinc/51/86/52/1375518652.db2.gz FHPNDLMHXZTJFB-GFCCVEGCSA-N -1 0 326.348 3.041 20 30 EGEDRM C=C[C@@]1(C)CC[C@@H](C(C)(C)Oc2ccc(-n3nn[n-]c3=S)cc2)O1 ZINC001228438768 1375571474 /nfs/dbraw/zinc/57/14/74/1375571474.db2.gz OVYODPQPXUKRDD-YOEHRIQHSA-N -1 0 346.456 3.232 20 30 EGEDRM C=C[C@]1(C)CC[C@@H](C(C)(C)Oc2ccc(-n3nn[n-]c3=S)cc2)O1 ZINC001228438766 1375571850 /nfs/dbraw/zinc/57/18/50/1375571850.db2.gz OVYODPQPXUKRDD-WMLDXEAASA-N -1 0 346.456 3.232 20 30 EGEDRM N#CCN1CC[C@@H](Oc2ccccc2C([O-])=CC(=O)c2ccccc2)C1 ZINC001228512405 1375584526 /nfs/dbraw/zinc/58/45/26/1375584526.db2.gz KRMKNTRBTZILLC-QGZVFWFLSA-N -1 0 348.402 3.119 20 30 EGEDRM N#Cc1ccc(=O)[n-]c1O/C(=C\[C@H](O)C(F)(F)F)c1cccs1 ZINC001228900266 1375708756 /nfs/dbraw/zinc/70/87/56/1375708756.db2.gz CZVRRTRLGFCQDH-WDDYJBPVSA-N -1 0 342.298 3.063 20 30 EGEDRM N#Cc1ccc(=O)[n-]c1O[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC001228902005 1375710215 /nfs/dbraw/zinc/71/02/15/1375710215.db2.gz ONKSZWYOLKYJFH-LBPRGKRZSA-N -1 0 339.229 3.249 20 30 EGEDRM C=CCOC(=O)N[C@H]1CCCN(Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237803941 1376987982 /nfs/dbraw/zinc/98/79/82/1376987982.db2.gz WSLGELYQSJIQBE-ZDUSSCGKSA-N -1 0 342.798 3.061 20 30 EGEDRM C=C(C(=O)Nc1ccc2ccc(S(=O)(=O)[O-])cc2c1)C(F)(F)F ZINC001144209553 1378699403 /nfs/dbraw/zinc/69/94/03/1378699403.db2.gz ICBGAIVQSBURJI-UHFFFAOYSA-N -1 0 345.298 3.144 20 30 EGEDRM N#Cc1cc(NC(=O)c2cc3c(Cl)cc[nH]c-3n2)c([O-])cc1F ZINC001153023722 1380010048 /nfs/dbraw/zinc/01/00/48/1380010048.db2.gz HMEIFLAWSRCCPZ-UHFFFAOYSA-N -1 0 330.706 3.185 20 30 EGEDRM CSc1nc(Cl)c(/C=N/O)c(NCCc2ccsc2)n1 ZINC001156521120 1380587655 /nfs/dbraw/zinc/58/76/55/1380587655.db2.gz LVCKFUKBYOFGCA-GIDUJCDVSA-N -1 0 328.850 3.376 20 30 EGEDRM C=CC[C@@H](NC(=O)NC1CCC(c2ccc(F)cc2)CC1)C(=O)[O-] ZINC001328169612 1388684453 /nfs/dbraw/zinc/68/44/53/1388684453.db2.gz LRYIKIVBAOVKPJ-AVVWSFFYSA-N -1 0 334.391 3.180 20 30 EGEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]CC2CCCCCCC2)c(F)c1 ZINC001309079016 1384168845 /nfs/dbraw/zinc/16/88/45/1384168845.db2.gz GKJMYLITGGKEEB-UHFFFAOYSA-N -1 0 342.411 3.475 20 30 EGEDRM COc1cc(Nc2ncc(C#N)cc2Br)ccc1C(=O)[O-] ZINC001174681723 1385133691 /nfs/dbraw/zinc/13/36/91/1385133691.db2.gz XMAVJBLGJHPPTO-UHFFFAOYSA-N -1 0 348.156 3.166 20 30 EGEDRM Cc1ccc(C(=O)[O-])cc1Nc1ccc(C#N)nc1Br ZINC001174981248 1385178359 /nfs/dbraw/zinc/17/83/59/1385178359.db2.gz HFTDWPYFWQWMHM-UHFFFAOYSA-N -1 0 332.157 3.466 20 30 EGEDRM N#Cc1cnn(-c2ccccn2)c1Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001175315959 1385250176 /nfs/dbraw/zinc/25/01/76/1385250176.db2.gz HVEZCTNTAQZMKJ-UHFFFAOYSA-N -1 0 339.742 3.234 20 30 EGEDRM CS(=O)(=O)Nc1ccccc1C/N=C/c1cc(Cl)ccc1O ZINC001317903937 1385565697 /nfs/dbraw/zinc/56/56/97/1385565697.db2.gz UDKONWAZUHMGPW-LICLKQGHSA-N -1 0 338.816 3.036 20 30 EGEDRM COC(=O)c1cccc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC001319119465 1385966680 /nfs/dbraw/zinc/96/66/80/1385966680.db2.gz QCAUWRGNTAKIPR-UHFFFAOYSA-N -1 0 332.743 3.271 20 30 EGEDRM C=CC[C@H](NC(=O)Nc1cccc(-c2nc(C)c(C)o2)c1)C(=O)[O-] ZINC001321108850 1386811266 /nfs/dbraw/zinc/81/12/66/1386811266.db2.gz GFGBOYZXZKDLQO-AWEZNQCLSA-N -1 0 329.356 3.109 20 30 EGEDRM N#Cc1ccccc1CC(=O)Nc1ccc(F)c(Br)c1[O-] ZINC001181802301 1387057609 /nfs/dbraw/zinc/05/76/09/1387057609.db2.gz GWFIOPIATRYXFV-UHFFFAOYSA-N -1 0 349.159 3.347 20 30 EGEDRM CC(C)(C)OC(=O)N[C@@H]1CCC(N=Nc2ccccc2C(=O)[O-])C1 ZINC001329192694 1389014817 /nfs/dbraw/zinc/01/48/17/1389014817.db2.gz WRYTXOPVURRKFK-LLVKDONJSA-N -1 0 333.388 3.230 20 30 EGEDRM COc1nc(Cl)c(/C=C\C(=O)c2ccc([O-])c(Cl)c2)n1C ZINC001338093082 1389541214 /nfs/dbraw/zinc/54/12/14/1389541214.db2.gz HEQYOKUCVWEZCB-XQRVVYSFSA-N -1 0 327.167 3.337 20 30 EGEDRM CC#CC[C@@H](NCc1oc2ccccc2c1Br)C(=O)[O-] ZINC001332032463 1389953444 /nfs/dbraw/zinc/95/34/44/1389953444.db2.gz KYXFVRGVYUEHPH-LLVKDONJSA-N -1 0 336.185 3.152 20 30 EGEDRM C#CC[C@@H](NC(=O)N1CCCC[C@H]1CCC(=O)[O-])c1ccccc1 ZINC001339859233 1390177077 /nfs/dbraw/zinc/17/70/77/1390177077.db2.gz VAMQOYVXJOSBFN-DLBZAZTESA-N -1 0 328.412 3.180 20 30 EGEDRM C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC001339946132 1390196003 /nfs/dbraw/zinc/19/60/03/1390196003.db2.gz LCVCWGGNOABVDK-INIZCTEOSA-N -1 0 330.428 3.070 20 30 EGEDRM CCn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N(C)c1cccc(C)c1C ZINC001340993362 1390421423 /nfs/dbraw/zinc/42/14/23/1390421423.db2.gz ODOLASPRZKWNQL-UHFFFAOYSA-N -1 0 348.410 3.322 20 30 EGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)c1cn2c(n1)CCCC2 ZINC001342034052 1390563549 /nfs/dbraw/zinc/56/35/49/1390563549.db2.gz FNRGSHXNORYVBE-CQSZACIVSA-N -1 0 346.390 3.215 20 30 EGEDRM N#CC(=C([O-])c1cnc(Oc2ccccc2)cn1)c1cccc(F)n1 ZINC001342665190 1390638891 /nfs/dbraw/zinc/63/88/91/1390638891.db2.gz VHNVMEHTVOCBCA-CYBMUJFWSA-N -1 0 334.310 3.293 20 30 EGEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1ccc(Cn2cccc2)cc1 ZINC001343330564 1390707594 /nfs/dbraw/zinc/70/75/94/1390707594.db2.gz KSISMGZCOPXGTK-IBGZPJMESA-N -1 0 349.434 3.308 20 30 EGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)C1SCCS1 ZINC001343778769 1390736352 /nfs/dbraw/zinc/73/63/52/1390736352.db2.gz SJSALXLJQYQMEH-LLVKDONJSA-N -1 0 330.434 3.174 20 30 EGEDRM Cn1ccnc1C(C#N)=C([O-])C1(C(=O)OC(C)(C)C)CCCCCC1 ZINC001343841054 1390739169 /nfs/dbraw/zinc/73/91/69/1390739169.db2.gz BKXYYZGYWHDAHN-CQSZACIVSA-N -1 0 345.443 3.279 20 30 EGEDRM Cc1cc(C)n2ncc(C([O-])=C(C#N)c3nc(C4CC4)cs3)c2n1 ZINC001344836783 1390818108 /nfs/dbraw/zinc/81/81/08/1390818108.db2.gz MPKDBSLQHVUACT-GFCCVEGCSA-N -1 0 337.408 3.170 20 30 EGEDRM CN(C)c1nc2sc(C([O-])=C(C#N)c3cccc(F)n3)cc2s1 ZINC001347153772 1391014549 /nfs/dbraw/zinc/01/45/49/1391014549.db2.gz SCVGZIRLXCFRDE-MRVPVSSYSA-N -1 0 346.412 3.448 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2c(CC)oc3ccccc32)CC1 ZINC001347361703 1391060688 /nfs/dbraw/zinc/06/06/88/1391060688.db2.gz MUQBATFSGVQGCH-UHFFFAOYSA-N -1 0 333.409 3.164 20 30 EGEDRM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1cnn(-c2ccccc2)c1 ZINC000822930412 1428263330 /nfs/dbraw/zinc/26/33/30/1428263330.db2.gz ZSEGSCWKMSMUSI-SOFGYWHQSA-N -1 0 348.391 3.010 20 30 EGEDRM C[C@@H]1C[C@@H](C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)CC(C)(C)C1 ZINC000824864400 1429264566 /nfs/dbraw/zinc/26/45/66/1429264566.db2.gz BBDPTAUVNCTGMI-VXGBXAGGSA-N -1 0 338.415 3.139 20 30 EGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H](CCC)C(C)C ZINC000823909699 1429574019 /nfs/dbraw/zinc/57/40/19/1429574019.db2.gz NWCHDJNKNXYQFS-KRWDZBQOSA-N -1 0 341.459 3.454 20 30 EGEDRM COc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1-c1nn[n-]n1 ZINC000737082486 1424115469 /nfs/dbraw/zinc/11/54/69/1424115469.db2.gz VWZKTTLUONCKFL-KXFIGUGUSA-N -1 0 342.305 3.050 20 30 EGEDRM C=CC[C@@H](C)NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000735409746 1424900266 /nfs/dbraw/zinc/90/02/66/1424900266.db2.gz KADLVRYHOZXXLZ-CYBMUJFWSA-N -1 0 333.395 3.228 20 30 EGEDRM N#Cc1cc(NC(=O)CCC=Cc2ccccc2)ccc1-c1nn[n-]n1 ZINC000737704457 1425604233 /nfs/dbraw/zinc/60/42/33/1425604233.db2.gz IRKJLUOQPADFDF-XBXARRHUSA-N -1 0 344.378 3.170 20 30 EGEDRM CCC(=CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1ccccc1 ZINC000736304217 1425751135 /nfs/dbraw/zinc/75/11/35/1425751135.db2.gz MDEPXDKFXLZZQW-ACCUITESSA-N -1 0 344.378 3.170 20 30 EGEDRM C[C@H]1c2c(c(O)ccc2F)C(=O)C1=Cc1ccc(-c2nn[n-]n2)s1 ZINC000820642379 1425926743 /nfs/dbraw/zinc/92/67/43/1425926743.db2.gz IFFAUICIUHLRQY-TUOMEMKJSA-N -1 0 342.355 3.156 20 30 EGEDRM CC1(C)CCC(CSc2nc(N)c(C#N)cc2-c2nn[n-]n2)CC1 ZINC000824801742 1426415401 /nfs/dbraw/zinc/41/54/01/1426415401.db2.gz HTOAWGNFRYPVHN-UHFFFAOYSA-N -1 0 343.460 3.024 20 30 EGEDRM O=C(C=CC1=Cc2ccccc2OC1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826399877 1426588626 /nfs/dbraw/zinc/58/86/26/1426588626.db2.gz IWEPHNOMNXWFJD-VMPITWQZSA-N -1 0 348.337 3.221 20 30 EGEDRM O=C(C=Cc1ccc(F)cc1F)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826401049 1426799580 /nfs/dbraw/zinc/79/95/80/1426799580.db2.gz OAKSDFMDMSVYCR-ZZXKWVIFSA-N -1 0 330.269 3.180 20 30 EGEDRM FC(F)(F)c1ccc(NN=Cc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000826369251 1426981371 /nfs/dbraw/zinc/98/13/71/1426981371.db2.gz UEBXDLINMNFSHD-UHFFFAOYSA-N -1 0 338.318 3.393 20 30 EGEDRM COc1ccsc1C=C1CCc2cc(-c3nn[n-]n3)ccc2C1=O ZINC000821910732 1427562232 /nfs/dbraw/zinc/56/22/32/1427562232.db2.gz GCGRJCZVBFMCEY-PKNBQFBNSA-N -1 0 338.392 3.149 20 30 EGEDRM CC(=NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)c(F)c1 ZINC000823958387 1427630137 /nfs/dbraw/zinc/63/01/37/1427630137.db2.gz MBGUJNQKMDFRKU-UHFFFAOYSA-N -1 0 330.754 3.495 20 30 EGEDRM COc1cc(C)ccc1C(=O)C=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826178423 1427713102 /nfs/dbraw/zinc/71/31/02/1427713102.db2.gz XNRDZLVYAGYUQX-VMPITWQZSA-N -1 0 338.342 3.219 20 30 EGEDRM C[C@@H](Nc1ccc2cc(-c3nn[n-]n3)ccc2n1)c1ccc(C#N)cc1 ZINC000824658644 1429983350 /nfs/dbraw/zinc/98/33/50/1429983350.db2.gz ZEDUCHPPOSNAFI-GFCCVEGCSA-N -1 0 341.378 3.460 20 30 EGEDRM Cc1ccc2c(c1)OCCC(=Cc1cccc(-c3nn[n-]n3)c1)C2=O ZINC000822280399 1441723998 /nfs/dbraw/zinc/72/39/98/1441723998.db2.gz MGXBKLBQGRXYQJ-GXDHUFHOSA-N -1 0 332.363 3.224 20 30 EGEDRM Cc1cc(C)c2c(c1)OCC(=Cc1cc(-c3nnn[n-]3)cs1)C2=O ZINC000822195237 1442072074 /nfs/dbraw/zinc/07/20/74/1442072074.db2.gz LGNVMZAMYACQEV-WZUFQYTHSA-N -1 0 338.392 3.204 20 30 EGEDRM CCOc1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc1 ZINC000821418301 1442121847 /nfs/dbraw/zinc/12/18/47/1442121847.db2.gz ZDFGNNYCLPCMJK-RVDMUPIBSA-N -1 0 346.390 3.478 20 30 EGEDRM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1nc2ccccc2s1 ZINC000822929295 1442301836 /nfs/dbraw/zinc/30/18/36/1442301836.db2.gz RWBCNDNIFJOAHD-FNORWQNLSA-N -1 0 339.405 3.434 20 30 EGEDRM Cc1nc(-c2nn[n-]n2)c(N=NCc2c(Cl)oc3ccccc32)o1 ZINC000826323264 1442335872 /nfs/dbraw/zinc/33/58/72/1442335872.db2.gz XNYSWMAPAMIJNO-UHFFFAOYSA-N -1 0 343.734 3.009 20 30 EGEDRM O=C1c2ccc(Cl)cc2CC1=Cc1ccc(-c2nn[n-]n2)s1 ZINC000823504780 1443304463 /nfs/dbraw/zinc/30/44/63/1443304463.db2.gz UNGAIBGMHMGSEH-CLFYSBASSA-N -1 0 328.784 3.404 20 30 EGEDRM COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1F ZINC000826190868 1443717519 /nfs/dbraw/zinc/71/75/19/1443717519.db2.gz POFCTDCSJYIYQA-QHHAFSJGSA-N -1 0 342.305 3.050 20 30 EGEDRM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC[C@@H]2CCCC[C@H]2C)o1 ZINC000824280637 1443752227 /nfs/dbraw/zinc/75/22/27/1443752227.db2.gz RQEJOTFDMHRLFA-NEPJUHHUSA-N -1 0 331.424 3.277 20 30 EGEDRM COc1cccc(C(C)=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000826214871 1443763537 /nfs/dbraw/zinc/76/35/37/1443763537.db2.gz ZKYNDDPPHIQXID-UHFFFAOYSA-N -1 0 342.790 3.365 20 30 EGEDRM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1ccccc1OC(F)F ZINC000826402016 1446529079 /nfs/dbraw/zinc/52/90/79/1446529079.db2.gz LKJWKYQBAPHJAA-KTKRTIGZSA-N -1 0 342.305 3.364 20 30 EGEDRM COc1cc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)ccc1F ZINC000826177189 1446536596 /nfs/dbraw/zinc/53/65/96/1446536596.db2.gz VYPQESMHELBTNW-FNORWQNLSA-N -1 0 342.305 3.050 20 30 EGEDRM CC(=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccc[nH]1 ZINC000735451106 1446564493 /nfs/dbraw/zinc/56/44/93/1446564493.db2.gz OWHVEXBAZKDNAZ-UHFFFAOYSA-N -1 0 335.293 3.050 20 30 EGEDRM Cc1ccc(F)c(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000826289087 1447118978 /nfs/dbraw/zinc/11/89/78/1447118978.db2.gz KFHPCYQEKBETOZ-DAXSKMNVSA-N -1 0 326.306 3.349 20 30 EGEDRM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC001602709484 971347101 /nfs/dbraw/zinc/34/71/01/971347101.db2.gz CMHKRCYIRVWKCK-QGZVFWFLSA-N -1 0 347.459 3.260 20 30 EGEDRM CC(C)(C)c1cc2cccnc2c(NC(=O)[C@](C)(C#N)CC(=O)[O-])c1 ZINC001602782369 971528458 /nfs/dbraw/zinc/52/84/58/971528458.db2.gz UIOKKVPGRRLLNX-IBGZPJMESA-N -1 0 339.395 3.475 20 30 EGEDRM CCN(C(=O)Cc1ccccc1C(=O)[O-])[C@H](C)c1ccc(C#N)cc1 ZINC001589703678 950254198 /nfs/dbraw/zinc/25/41/98/950254198.db2.gz LOFZPHMJEJPDFH-CQSZACIVSA-N -1 0 336.391 3.409 20 30 EGEDRM N#CCCC[C@H](NC(=O)NC1CCC(C(=O)[O-])CC1)c1ccccc1 ZINC000263338907 950380501 /nfs/dbraw/zinc/38/05/01/950380501.db2.gz DXSZNKBUHNDTEH-JCYILVPMSA-N -1 0 343.427 3.364 20 30 EGEDRM CC(C)(C)CC[C@H](NC(=O)C[C@@H](CC#N)c1ccccc1)C(=O)[O-] ZINC001602859317 971709119 /nfs/dbraw/zinc/70/91/19/971709119.db2.gz GHPJXXDZTPBLTO-CVEARBPZSA-N -1 0 330.428 3.470 20 30 EGEDRM CC(C)(C)c1csc(NC(=O)c2ccc(C(=O)[O-])cn2)c1C#N ZINC001602925769 971890363 /nfs/dbraw/zinc/89/03/63/971890363.db2.gz WIEODIKSNXXTRA-UHFFFAOYSA-N -1 0 329.381 3.263 20 30 EGEDRM N#Cc1ccc(CSCC(=O)NC2(CC(=O)[O-])CCCCC2)cc1 ZINC000532004544 953561135 /nfs/dbraw/zinc/56/11/35/953561135.db2.gz NJKKSQQIZXJEOF-UHFFFAOYSA-N -1 0 346.452 3.085 20 30 EGEDRM C[C@@H]1CCc2nc(NC(=O)c3ccc(C(=O)[O-])cc3)c(C#N)cc2C1 ZINC001589365111 954183783 /nfs/dbraw/zinc/18/37/83/954183783.db2.gz GKUQOEIJQYJWNT-LLVKDONJSA-N -1 0 335.363 3.029 20 30 EGEDRM C[C@@H]1CCc2sc(NC(=O)[C@H]3CC[C@H]3C(=O)[O-])c(C#N)c2[C@@H]1C ZINC001589365787 954190624 /nfs/dbraw/zinc/19/06/24/954190624.db2.gz WBIHRCPLTFKRRG-CHWFTXMASA-N -1 0 332.425 3.355 20 30 EGEDRM C[C@@H]1CCc2sc(NC(=O)[C@H]3CC[C@H]3C(=O)[O-])c(C#N)c2[C@H]1C ZINC001589365788 954190715 /nfs/dbraw/zinc/19/07/15/954190715.db2.gz WBIHRCPLTFKRRG-VPOLOUISSA-N -1 0 332.425 3.355 20 30 EGEDRM CC(C)(C)CN(CC(=O)[O-])c1ccc(C#N)c(Br)c1F ZINC000692111320 954692907 /nfs/dbraw/zinc/69/29/07/954692907.db2.gz IZINUACIGRZPHV-UHFFFAOYSA-N -1 0 343.196 3.397 20 30 EGEDRM CCC(CC)(C(=O)[O-])C(=O)Nc1ccc(C#N)c(Br)c1 ZINC001589477978 954965947 /nfs/dbraw/zinc/96/59/47/954965947.db2.gz UTLWARSPPMHLIS-UHFFFAOYSA-N -1 0 339.189 3.150 20 30 EGEDRM C[C@H](COC(=O)[C@@](C)(C#N)CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001589075286 955804344 /nfs/dbraw/zinc/80/43/44/955804344.db2.gz MCXAOZFLSHBVMF-MEBBXXQBSA-N -1 0 343.301 3.357 20 30 EGEDRM C[C@H](NC(=O)[C@H](C#N)CCc1ccccc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589086705 955906583 /nfs/dbraw/zinc/90/65/83/955906583.db2.gz SQASIANXLXFBKQ-QSPRXWTASA-N -1 0 342.439 3.011 20 30 EGEDRM C[C@@H](NC(=O)[C@H](C#N)CCc1ccccc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589086702 955907210 /nfs/dbraw/zinc/90/72/10/955907210.db2.gz SQASIANXLXFBKQ-BSWAZPDLSA-N -1 0 342.439 3.011 20 30 EGEDRM C[C@@H](NC(=O)[C@@H](C#N)CCc1ccccc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589086703 955907283 /nfs/dbraw/zinc/90/72/83/955907283.db2.gz SQASIANXLXFBKQ-MXASKKJJSA-N -1 0 342.439 3.011 20 30 EGEDRM C[C@@H](NC(=O)C[C@H](CC#N)c1ccccc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589094667 955975849 /nfs/dbraw/zinc/97/58/49/955975849.db2.gz YSLDVWGMGUSRIT-BSWAZPDLSA-N -1 0 342.439 3.326 20 30 EGEDRM N#Cc1cc(N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)c([N+](=O)[O-])s1 ZINC001594616731 956243681 /nfs/dbraw/zinc/24/36/81/956243681.db2.gz YTNZCBWRQAMSQX-VXGBXAGGSA-N -1 0 329.337 3.253 20 30 EGEDRM N#Cc1cc(Cl)ccc1CN1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001594616913 956244181 /nfs/dbraw/zinc/24/41/81/956244181.db2.gz SYPKKXSMQJFFSR-QGZVFWFLSA-N -1 0 326.783 3.396 20 30 EGEDRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 ZINC001589217165 956732101 /nfs/dbraw/zinc/73/21/01/956732101.db2.gz GKRUSUCFUNOLNL-KRWDZBQOSA-N -1 0 341.392 3.121 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)Nc1ccc(S[C@H](C)CC)cc1C ZINC001588412907 958155040 /nfs/dbraw/zinc/15/50/40/958155040.db2.gz MSJZUSBRIDACRW-CYBMUJFWSA-N -1 0 334.441 3.437 20 30 EGEDRM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H](C(=O)[O-])C(C)(C)C ZINC001588439730 958322764 /nfs/dbraw/zinc/32/27/64/958322764.db2.gz FVGBZYJKYIRXSZ-HNNXBMFYSA-N -1 0 335.448 3.116 20 30 EGEDRM C=CCCc1ccccc1NC(=O)N[C@@H](Cc1ccncc1)C(=O)[O-] ZINC001588460521 958476631 /nfs/dbraw/zinc/47/66/31/958476631.db2.gz MYAXAGOHJSEVHQ-KRWDZBQOSA-N -1 0 339.395 3.018 20 30 EGEDRM C=CCOc1ccc(CNC(=O)Nc2ccccc2CC(=O)[O-])cc1 ZINC001588466549 958515138 /nfs/dbraw/zinc/51/51/38/958515138.db2.gz YWPUDXJSEMOYIA-UHFFFAOYSA-N -1 0 340.379 3.200 20 30 EGEDRM C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C(=O)[O-])CC1 ZINC001573379143 958659691 /nfs/dbraw/zinc/65/96/91/958659691.db2.gz VDVZZCRBPOPUMR-UHFFFAOYSA-N -1 0 346.818 3.086 20 30 EGEDRM C[C@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001573624683 959534427 /nfs/dbraw/zinc/53/44/27/959534427.db2.gz JVRVEEQLYDQKHZ-VBNZEHGJSA-N -1 0 340.423 3.107 20 30 EGEDRM Cc1c2cc(C#N)ccc2sc1C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC001594256522 959650780 /nfs/dbraw/zinc/65/07/80/959650780.db2.gz KAXQAYYWRKVZSN-GFCCVEGCSA-N -1 0 328.393 3.018 20 30 EGEDRM Cc1c2cc(C#N)ccc2sc1C(=O)Nc1ncccc1C(=O)[O-] ZINC001594261091 959695565 /nfs/dbraw/zinc/69/55/65/959695565.db2.gz ZJSZYGRFYIPZLP-UHFFFAOYSA-N -1 0 337.360 3.427 20 30 EGEDRM N#Cc1c(NC(=O)C2(C(=O)[O-])CCC2)sc2c1CCCCCC2 ZINC001574479997 961656350 /nfs/dbraw/zinc/65/63/50/961656350.db2.gz SAHSPAKVZPSXAS-UHFFFAOYSA-N -1 0 332.425 3.472 20 30 EGEDRM C#Cc1cccc(CNC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)c1 ZINC001573313894 962739242 /nfs/dbraw/zinc/73/92/42/962739242.db2.gz SYDBCQJXOMVVNB-UHFFFAOYSA-N -1 0 327.315 3.219 20 30 EGEDRM C=C(C)C[C@H](NC(=O)c1ccc(OC)cc1OCCCC)C(=O)[O-] ZINC001573324164 962781693 /nfs/dbraw/zinc/78/16/93/962781693.db2.gz NSCXJMGXFJSFTH-HNNXBMFYSA-N -1 0 335.400 3.023 20 30 EGEDRM C=CC1CCN(c2nnc(C)n2Cc2cccc(NC(=O)[O-])c2)CC1 ZINC001573351003 962974215 /nfs/dbraw/zinc/97/42/15/962974215.db2.gz OUTRQHNNRJSDCL-UHFFFAOYSA-N -1 0 341.415 3.127 20 30 EGEDRM C=CCO[C@@H]1CCN([C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)C1 ZINC001573368959 963089625 /nfs/dbraw/zinc/08/96/25/963089625.db2.gz MGXIWGWYLWMALG-ZIAGYGMSSA-N -1 0 329.318 3.108 20 30 EGEDRM C#CCCCCC(=O)N[C@@H](C[C@@H]1CCCc2ccccc21)C(=O)[O-] ZINC001588440519 964039051 /nfs/dbraw/zinc/03/90/51/964039051.db2.gz YOCRVXDXBOONAR-WMZOPIPTSA-N -1 0 327.424 3.260 20 30 EGEDRM C[C@H](C(=O)[O-])c1noc(-c2cccc(COc3cccc(C#N)c3)c2)n1 ZINC001609717719 970492041 /nfs/dbraw/zinc/49/20/41/970492041.db2.gz BBGIYSCWVRAMLU-LBPRGKRZSA-N -1 0 349.346 3.375 20 30 EGEDRM N#Cc1ccc(N2CCC3(C[C@H]3C(=O)[O-])CC2)c(Br)c1 ZINC000405368145 973851855 /nfs/dbraw/zinc/85/18/55/973851855.db2.gz MCNULOMCIXPDDA-NSHDSACASA-N -1 0 335.201 3.012 20 30 EGEDRM N#Cc1c(NC(=O)c2cccc(C(=O)[O-])c2)sc2c1CCCC2 ZINC001605590381 973883117 /nfs/dbraw/zinc/88/31/17/973883117.db2.gz CIPNMDLUSQCYGI-UHFFFAOYSA-N -1 0 326.377 3.449 20 30 EGEDRM N#Cc1cc(C(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)cs1 ZINC001605592058 973892832 /nfs/dbraw/zinc/89/28/32/973892832.db2.gz RANIYWXQNNGTPT-UHFFFAOYSA-N -1 0 340.404 3.338 20 30 EGEDRM N#CCc1ccc(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC001605601612 973906520 /nfs/dbraw/zinc/90/65/20/973906520.db2.gz XMVBYXURVFADSA-SJORKVTESA-N -1 0 335.363 3.187 20 30 EGEDRM CC(C)n1cc2c(n1)[C@H](N[C@H](C(=O)[O-])c1ccc(C#N)cc1)CCC2 ZINC001592130730 976960374 /nfs/dbraw/zinc/96/03/74/976960374.db2.gz HQBAXELZPNAGJE-AEFFLSMTSA-N -1 0 338.411 3.129 20 30 EGEDRM C[C@@](CC(=O)[O-])(NC(=O)c1cccc(CC#N)c1)c1cccc(F)c1 ZINC001592309351 977678787 /nfs/dbraw/zinc/67/87/87/977678787.db2.gz SDDJQVQNZOVBRW-IBGZPJMESA-N -1 0 340.354 3.012 20 30 EGEDRM CC(CC(C)(C)CC(=O)[O-])N=Nc1nnc(-c2ccccc2)n1C ZINC001592444233 978101836 /nfs/dbraw/zinc/10/18/36/978101836.db2.gz LYSQMPVKCANVEG-UHFFFAOYSA-N -1 0 329.404 3.161 20 30 EGEDRM Cn1c(C=NNc2cccc(C(=O)[O-])c2)nc2cc(Cl)ccc21 ZINC000755473062 978696702 /nfs/dbraw/zinc/69/67/02/978696702.db2.gz TVQVVHKDIPJOLE-UHFFFAOYSA-N -1 0 328.759 3.371 20 30 EGEDRM COCCc1nc(C)c(C(C)=NNc2cccc(C(=O)[O-])c2)s1 ZINC000770597208 978743634 /nfs/dbraw/zinc/74/36/34/978743634.db2.gz BUPREDPLFNVGBY-UHFFFAOYSA-N -1 0 333.413 3.175 20 30 EGEDRM CC(=NNc1cccc(C(=O)[O-])c1)c1ccc(Br)cn1 ZINC000794451944 978812626 /nfs/dbraw/zinc/81/26/26/978812626.db2.gz JRHXOSKINQIWQK-UHFFFAOYSA-N -1 0 334.173 3.378 20 30 EGEDRM C[C@@H](Oc1ccc(/C=C2/CCc3cc(C#N)cnc3C2=O)cc1)C(=O)[O-] ZINC000794711212 978817416 /nfs/dbraw/zinc/81/74/16/978817416.db2.gz BAZBNRCQCZXBBK-VJMCZWTHSA-N -1 0 348.358 3.018 20 30 EGEDRM C[C@@H](Oc1ccc(/C=C2\Cc3ccc(C#N)cc3C2=O)cc1)C(=O)[O-] ZINC000811696605 978855099 /nfs/dbraw/zinc/85/50/99/978855099.db2.gz UQYRDDYJBMEPRI-GGNJANJASA-N -1 0 333.343 3.233 20 30 EGEDRM COC(=O)c1ccc(N=NC2CC[C@@H](CC(=O)[O-])[C@@H]2C)cc1Cl ZINC000814902302 978897443 /nfs/dbraw/zinc/89/74/43/978897443.db2.gz RZGWPJZWYKWJFH-UWVGGRQHSA-N -1 0 338.791 3.415 20 30 EGEDRM C=CC[C@@H](C)NC(=O)Nc1cc(C(=O)[O-])c(F)cc1Br ZINC000825660055 978940466 /nfs/dbraw/zinc/94/04/66/978940466.db2.gz PEMDTRLFSZDFFK-SSDOTTSWSA-N -1 0 345.168 3.373 20 30 EGEDRM C=CCCO[C@@H](C)C(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC000841501733 979303506 /nfs/dbraw/zinc/30/35/06/979303506.db2.gz QWQQGIDSJFOBDS-AWEZNQCLSA-N -1 0 346.427 3.295 20 30 EGEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)NC[C@H](C(=O)[O-])C1CCCCC1 ZINC001592834885 979581414 /nfs/dbraw/zinc/58/14/14/979581414.db2.gz ZHFVCKWNIISMCF-KSSFIOAISA-N -1 0 342.439 3.134 20 30 EGEDRM CC[C@@](CNc1cc(C#N)nc(C2CC2)n1)(C(=O)[O-])c1ccccc1 ZINC001595172922 979747536 /nfs/dbraw/zinc/74/75/36/979747536.db2.gz UTNWBWXVJWHDOH-IBGZPJMESA-N -1 0 336.395 3.070 20 30 EGEDRM C[C@H](NC(=O)/C=C/c1ccccc1C#N)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593011048 980244954 /nfs/dbraw/zinc/24/49/54/980244954.db2.gz LYROHJSVAOAZNK-BSODZPPDSA-N -1 0 348.402 3.020 20 30 EGEDRM C=CCOC[C@H](NCc1ccc(-c2ccc(F)cc2C)o1)C(=O)[O-] ZINC000901810669 980531763 /nfs/dbraw/zinc/53/17/63/980531763.db2.gz MZRWVNQDLKEVDK-INIZCTEOSA-N -1 0 333.359 3.140 20 30 EGEDRM CC[C@H](OC1CCCC1)C(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC001595355568 980703695 /nfs/dbraw/zinc/70/36/95/980703695.db2.gz DHUNLSBKZLZANP-INIZCTEOSA-N -1 0 331.368 3.037 20 30 EGEDRM CCC1CCC(NC(=O)c2[nH]c3ccccc3c2C#N)(C(=O)[O-])CC1 ZINC001595422017 981040441 /nfs/dbraw/zinc/04/04/41/981040441.db2.gz FNUYETYNKFRBMH-UHFFFAOYSA-N -1 0 339.395 3.193 20 30 EGEDRM CCC(C)(C)C1CCC(NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)CC1 ZINC001594797124 981885452 /nfs/dbraw/zinc/88/54/52/981885452.db2.gz VBJGWGUUZOLNAJ-UHFFFAOYSA-N -1 0 349.475 3.381 20 30 EGEDRM C=CCSc1ccccc1C(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC000910391551 981914936 /nfs/dbraw/zinc/91/49/36/981914936.db2.gz MLGITBMXHJFSMI-QAPCUYQASA-N -1 0 331.437 3.434 20 30 EGEDRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC001594977114 982754768 /nfs/dbraw/zinc/75/47/68/982754768.db2.gz FLXLKVHEOHKLPA-INIZCTEOSA-N -1 0 335.403 3.412 20 30 EGEDRM CC[C@H](C)NN=Cc1ccc(OCc2ccc(C(=O)[O-])o2)c(OC)c1 ZINC001594994910 982885238 /nfs/dbraw/zinc/88/52/38/982885238.db2.gz RKDGRNWSKHKNFC-LBPRGKRZSA-N -1 0 346.383 3.287 20 30 EGEDRM CCCOc1ccc2c(c1)C(=O)/C(=C\c1ccc(C(=O)[O-])o1)CO2 ZINC001595965065 983165601 /nfs/dbraw/zinc/16/56/01/983165601.db2.gz FIXRRKWFTPZZLM-FLIBITNWSA-N -1 0 328.320 3.425 20 30 EGEDRM C#C[C@@H](NC(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1)c1ccccc1 ZINC001588374114 983341527 /nfs/dbraw/zinc/34/15/27/983341527.db2.gz OTQWDSIFGZZANE-KBXCAEBGSA-N -1 0 336.391 3.446 20 30 EGEDRM C#C[C@H]1CCCN(C(=O)Nc2cc(C(F)(F)F)ccc2C(=O)[O-])C1 ZINC001588383351 983380783 /nfs/dbraw/zinc/38/07/83/983380783.db2.gz WOCAJWZHOGPEAN-JTQLQIEISA-N -1 0 340.301 3.281 20 30 EGEDRM C#CCC(C)(C)C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC001588383636 983383389 /nfs/dbraw/zinc/38/33/89/983383389.db2.gz GHNJDGMROZSFCW-UHFFFAOYSA-N -1 0 325.364 3.291 20 30 EGEDRM C#CC[C@@H](NC(=O)C1(c2cccc(Cl)c2)CCCCC1)C(=O)[O-] ZINC001588399279 983415290 /nfs/dbraw/zinc/41/52/90/983415290.db2.gz SSXUEHOJPCCSAP-OAHLLOKOSA-N -1 0 333.815 3.135 20 30 EGEDRM C#CCCOc1ccc(C(=O)Nc2ccc(CCC(=O)[O-])cc2)cc1 ZINC001588455530 983480051 /nfs/dbraw/zinc/48/00/51/983480051.db2.gz PAALVPWYHQCFKZ-UHFFFAOYSA-N -1 0 337.375 3.358 20 30 EGEDRM C#CCCOc1ccc(C(=O)N[C@H](CC(=O)[O-])c2cccs2)cc1 ZINC001588455989 983481162 /nfs/dbraw/zinc/48/11/62/983481162.db2.gz YAERPUSNRBWRAW-OAHLLOKOSA-N -1 0 343.404 3.096 20 30 EGEDRM CCN(C(=O)C[C@H](CC#N)c1ccccc1)c1ncc(C(=O)[O-])s1 ZINC001596134144 983483128 /nfs/dbraw/zinc/48/31/28/983483128.db2.gz UQODMILCXTXDOU-ZDUSSCGKSA-N -1 0 343.408 3.282 20 30 EGEDRM C#CCN(C(=O)c1ccoc1CC(=O)[O-])[C@@H]1CCCc2ccccc21 ZINC001588461702 983490992 /nfs/dbraw/zinc/49/09/92/983490992.db2.gz XTXCWCYIVJBUFS-QGZVFWFLSA-N -1 0 337.375 3.060 20 30 EGEDRM C#CCN(CC#CC)Cc1ccccc1OCc1ccc(C(=O)[O-])cc1 ZINC001588464735 983494228 /nfs/dbraw/zinc/49/42/28/983494228.db2.gz HGEAOIWZYWTPHE-UHFFFAOYSA-N -1 0 347.414 3.422 20 30 EGEDRM C#CCOc1ccc(C(=O)O[C@@H](C(=O)[O-])c2ccccc2Cl)cc1 ZINC001588497577 983539523 /nfs/dbraw/zinc/53/95/23/983539523.db2.gz OJWGFWFMKRADNO-MRXNPFEDSA-N -1 0 344.750 3.335 20 30 EGEDRM C#C[C@H]1CC[C@H](NC(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])CC1 ZINC001588510996 983558490 /nfs/dbraw/zinc/55/84/90/983558490.db2.gz QTZFGWBCHOBSBI-XIRDDKMYSA-N -1 0 342.439 3.330 20 30 EGEDRM C#Cc1cncc(C(=O)Nc2nc(-c3ccc(C(=O)[O-])cc3)cs2)c1 ZINC001588529341 983581102 /nfs/dbraw/zinc/58/11/02/983581102.db2.gz VOAWXUUCSLUHEC-UHFFFAOYSA-N -1 0 349.371 3.137 20 30 EGEDRM C=C(Br)CN1CCC[C@H]1c1nc(C(=O)[O-])c(C)s1 ZINC001588529438 983581391 /nfs/dbraw/zinc/58/13/91/983581391.db2.gz YXENALUCGGVLPK-VIFPVBQESA-N -1 0 331.235 3.195 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)CCCSc1ccc(OC)cc1)C(=O)[O-] ZINC001588540867 983605328 /nfs/dbraw/zinc/60/53/28/983605328.db2.gz NWGALELBNCINIA-OAHLLOKOSA-N -1 0 337.441 3.103 20 30 EGEDRM C=C(C)C[C@H](NC(=O)c1cc(Br)ccc1CC)C(=O)[O-] ZINC001588543115 983610681 /nfs/dbraw/zinc/61/06/81/983610681.db2.gz DOIQSLTUAXLJCL-ZDUSSCGKSA-N -1 0 340.217 3.161 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)c1ccc(Oc2ccccc2C)cn1)C(=O)[O-] ZINC001588547296 983619111 /nfs/dbraw/zinc/61/91/11/983619111.db2.gz WPDMULBWMUIKQS-MRXNPFEDSA-N -1 0 340.379 3.332 20 30 EGEDRM C=C(C)Cc1cccc(C(=O)[O-])c1OCc1cn(C(C)(C)C)nn1 ZINC001588576990 983655378 /nfs/dbraw/zinc/65/53/78/983655378.db2.gz KCBAPOBRFMENHX-UHFFFAOYSA-N -1 0 329.400 3.429 20 30 EGEDRM C=C(CC(C)C)C(=O)Nc1cc(CCC(=O)[O-])ccc1OCOC ZINC001588605751 983694295 /nfs/dbraw/zinc/69/42/95/983694295.db2.gz LQICFKLQIREVMT-UHFFFAOYSA-N -1 0 335.400 3.227 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H](C)c1ccc(-n2nc(C)cc2C)cc1 ZINC001588619499 983716956 /nfs/dbraw/zinc/71/69/56/983716956.db2.gz VSYNVYDLTARHRI-HNNXBMFYSA-N -1 0 341.411 3.087 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H](C)COc1ccc(C(C)(C)C)cc1 ZINC001588619544 983717484 /nfs/dbraw/zinc/71/74/84/983717484.db2.gz WWBUSPONHQKVPE-AWEZNQCLSA-N -1 0 333.428 3.289 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H](C)c1oc2ccc(OC)cc2c1C ZINC001588621688 983720254 /nfs/dbraw/zinc/72/02/54/983720254.db2.gz IIVWIXCFCCOULE-LBPRGKRZSA-N -1 0 331.368 3.348 20 30 EGEDRM C=C[C@](C)(CCOC)C(=O)OCc1c(Cl)cccc1C(=O)[O-] ZINC001588682198 983842994 /nfs/dbraw/zinc/84/29/94/983842994.db2.gz IUVIWGNWSCFDAE-MRXNPFEDSA-N -1 0 326.776 3.310 20 30 EGEDRM C=C[C@](C)(CCOC)C(=O)OCc1ccc(C(=O)[O-])c(Cl)c1 ZINC001588683340 983847278 /nfs/dbraw/zinc/84/72/78/983847278.db2.gz XKAMTZUNFWNNQX-MRXNPFEDSA-N -1 0 326.776 3.310 20 30 EGEDRM C=C[C@@](C)(CC)C(=O)Nc1ccc(OCC(=O)[O-])c2ncccc12 ZINC001588683336 983847755 /nfs/dbraw/zinc/84/77/55/983847755.db2.gz XGKWWBASUVKSTL-SFHVURJKSA-N -1 0 328.368 3.239 20 30 EGEDRM C=C[C@H](Nc1cc(Cl)ccc1OC[C@H]1CCCCO1)C(=O)[O-] ZINC001588702181 983918742 /nfs/dbraw/zinc/91/87/42/983918742.db2.gz LRSPJKIIHRZLHL-OLZOCXBDSA-N -1 0 325.792 3.339 20 30 EGEDRM C=C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)[O-])c2ccccc21 ZINC001588719052 983958429 /nfs/dbraw/zinc/95/84/29/983958429.db2.gz JWLAQCBQWFIJGN-ZDUSSCGKSA-N -1 0 345.420 3.267 20 30 EGEDRM C=CC[C@H](CC)NC(=O)C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC001588736066 984022964 /nfs/dbraw/zinc/02/29/64/984022964.db2.gz RCJRLEMVBSAOTC-NSHDSACASA-N -1 0 346.408 3.009 20 30 EGEDRM C=CC[C@H](Sc1nnc(-c2ccncc2)n1CC(=C)C)C(=O)[O-] ZINC001588762216 984115368 /nfs/dbraw/zinc/11/53/68/984115368.db2.gz GUPTYWIQDRICBG-ZDUSSCGKSA-N -1 0 330.413 3.038 20 30 EGEDRM C=CCC1(C(=O)Nc2ccc(C(=O)[O-])cc2OCC)CCOCC1 ZINC001588764557 984122742 /nfs/dbraw/zinc/12/27/42/984122742.db2.gz FEGJPFFRJOGRAZ-UHFFFAOYSA-N -1 0 333.384 3.095 20 30 EGEDRM C=CCC1(C(=O)Oc2cc(/C=C\C(=O)[O-])ccc2OC)CCOCC1 ZINC001588767239 984129519 /nfs/dbraw/zinc/12/95/19/984129519.db2.gz QBPKSWKTDYMDSH-ALCCZGGFSA-N -1 0 346.379 3.071 20 30 EGEDRM C=CC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC001588770588 984135049 /nfs/dbraw/zinc/13/50/49/984135049.db2.gz BFWSCPQLTWLPRY-UKRRQHHQSA-N -1 0 337.441 3.106 20 30 EGEDRM C=CC[C@@H]1CCCC[C@H]1NC(=O)NCCc1ccccc1C(=O)[O-] ZINC001588771513 984140173 /nfs/dbraw/zinc/14/01/73/984140173.db2.gz WTCSRFRVWALFOP-NVXWUHKLSA-N -1 0 330.428 3.361 20 30 EGEDRM C=CC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC001588771695 984140900 /nfs/dbraw/zinc/14/09/00/984140900.db2.gz YBGBGQJJJVBHAK-UKRRQHHQSA-N -1 0 337.441 3.106 20 30 EGEDRM C=CC[C@H]1CCN(C(=O)Nc2ccc(O[C@H](C)C(=O)[O-])c(F)c2)C1 ZINC001588772283 984141968 /nfs/dbraw/zinc/14/19/68/984141968.db2.gz CEZNYZDXWRLSBA-NEPJUHHUSA-N -1 0 336.363 3.108 20 30 EGEDRM C=CC[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)C1 ZINC001588773083 984146503 /nfs/dbraw/zinc/14/65/03/984146503.db2.gz WBLYKRJAPPZVHL-LLVKDONJSA-N -1 0 343.832 3.015 20 30 EGEDRM C=CCC[C@@H]1CCCN1C(=O)NCc1ccc(OC)c(C(=O)[O-])c1 ZINC001588782028 984169622 /nfs/dbraw/zinc/16/96/22/984169622.db2.gz NELBIWILMKYWIW-CQSZACIVSA-N -1 0 332.400 3.034 20 30 EGEDRM C=CCCC1(CNC(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)CCCC1 ZINC001588782432 984172230 /nfs/dbraw/zinc/17/22/30/984172230.db2.gz UXMKUTFTHWKCRV-FPCVCCKLSA-N -1 0 334.460 3.312 20 30 EGEDRM C=CCCC[C@H](NC(=O)C[C@@H](c1cccs1)n1cccc1)C(=O)[O-] ZINC001588789282 984197868 /nfs/dbraw/zinc/19/78/68/984197868.db2.gz ALJORAJLAHGQPZ-GJZGRUSLSA-N -1 0 346.452 3.455 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1cccc(F)c1Br)C(=O)[O-] ZINC001588793142 984216481 /nfs/dbraw/zinc/21/64/81/984216481.db2.gz LIZDISKKZDTAJF-NSHDSACASA-N -1 0 344.180 3.128 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)[O-] ZINC001588793640 984220404 /nfs/dbraw/zinc/22/04/04/984220404.db2.gz VOQPKZYMPSVQIX-LBPRGKRZSA-N -1 0 331.290 3.125 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1c(Cl)c2ccccc2n1C)C(=O)[O-] ZINC001588794440 984227022 /nfs/dbraw/zinc/22/70/22/984227022.db2.gz UMDRQZZMDJXDDJ-GFCCVEGCSA-N -1 0 334.803 3.371 20 30 EGEDRM C=CCN(CC=C)C(=O)N[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001588825556 984301187 /nfs/dbraw/zinc/30/11/87/984301187.db2.gz UGOCDMIDAKGXDP-CYBMUJFWSA-N -1 0 342.317 3.372 20 30 EGEDRM C=CCN(CCc1ccccc1)C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001588828734 984309117 /nfs/dbraw/zinc/30/91/17/984309117.db2.gz LPNPBEOXLQMSOU-SJORKVTESA-N -1 0 330.428 3.070 20 30 EGEDRM C=CCOc1cccc(NC(=O)N[C@H](CC(=O)[O-])C2CCCC2)c1 ZINC001588872696 984441553 /nfs/dbraw/zinc/44/15/53/984441553.db2.gz CGYRUSFEGFYJEP-MRXNPFEDSA-N -1 0 332.400 3.406 20 30 EGEDRM C=CCOc1ccc(CC(=O)NC2(C(=O)[O-])CCCCCC2)cc1 ZINC001588873769 984445927 /nfs/dbraw/zinc/44/59/27/984445927.db2.gz LGNWMLRAXMXNHY-UHFFFAOYSA-N -1 0 331.412 3.088 20 30 EGEDRM C=CCOc1ccc(/C=C/C(=O)c2cc(C(=O)[O-])co2)cc1OC ZINC001588874959 984449999 /nfs/dbraw/zinc/44/99/99/984449999.db2.gz MEIONPUZOXUQJD-GQCTYLIASA-N -1 0 328.320 3.447 20 30 EGEDRM C=CC[S@@](=O)(=NC(=O)Cc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC001588879194 984457324 /nfs/dbraw/zinc/45/73/24/984457324.db2.gz VQRHRVHXUGDXAZ-DEOSSOPVSA-N -1 0 343.404 3.167 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001588882441 984463014 /nfs/dbraw/zinc/46/30/14/984463014.db2.gz SOXLGMXATBKZEY-MRVWCRGKSA-N -1 0 330.380 3.464 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@H](CCC)OCC ZINC001588882567 984464186 /nfs/dbraw/zinc/46/41/86/984464186.db2.gz ZKTCBZDBOOAHRQ-AWEZNQCLSA-N -1 0 336.384 3.233 20 30 EGEDRM C=CCn1c(SCC2(C(=O)[O-])CCCC2)nnc1-c1ccncc1 ZINC001588907133 984538157 /nfs/dbraw/zinc/53/81/57/984538157.db2.gz BRBKRALKLUPCOB-UHFFFAOYSA-N -1 0 344.440 3.263 20 30 EGEDRM C[C@H](CC(=O)[O-])OC(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC001599890946 984693676 /nfs/dbraw/zinc/69/36/76/984693676.db2.gz ZDZMENPWUKABLA-CYBMUJFWSA-N -1 0 339.347 3.157 20 30 EGEDRM CCOC(=O)Nc1ccc(NCc2ccoc2C(=O)[O-])cc1C#N ZINC001596667322 984734411 /nfs/dbraw/zinc/73/44/11/984734411.db2.gz XERDLDRWHBQXGC-UHFFFAOYSA-N -1 0 329.312 3.030 20 30 EGEDRM CC(=NNc1ccc(C)c(C(=O)[O-])c1)c1cnnn1-c1ccccc1 ZINC001589016329 984994460 /nfs/dbraw/zinc/99/44/60/984994460.db2.gz HECKEPZTFLYEIC-UHFFFAOYSA-N -1 0 335.367 3.110 20 30 EGEDRM CC(=NOCc1nc(C)sc1C)c1ccc(OCC(=O)[O-])cc1 ZINC001589021602 985013121 /nfs/dbraw/zinc/01/31/21/985013121.db2.gz QKFZQGYMLXJUFB-UHFFFAOYSA-N -1 0 334.397 3.164 20 30 EGEDRM CCOC(=O)c1oc2c(c1C)C(=O)/C(=C\c1ccc(C(=O)[O-])o1)CC2 ZINC001596755177 985123868 /nfs/dbraw/zinc/12/38/68/985123868.db2.gz MUWXMGNYFVCBRB-NTMALXAHSA-N -1 0 344.319 3.268 20 30 EGEDRM Cc1c2cc(C#N)ccc2sc1C(=O)N1C2CCC1(C(=O)[O-])CC2 ZINC001599975132 986078163 /nfs/dbraw/zinc/07/81/63/986078163.db2.gz FXSBVRPIGQLWHV-UHFFFAOYSA-N -1 0 340.404 3.303 20 30 EGEDRM Cc1c2cc(C#N)ccc2sc1C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001599983813 986201836 /nfs/dbraw/zinc/20/18/36/986201836.db2.gz FANGEHBLCCVFIW-UHFFFAOYSA-N -1 0 337.360 3.427 20 30 EGEDRM CCOc1cc(C#N)ccc1OCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001596993809 986289306 /nfs/dbraw/zinc/28/93/06/986289306.db2.gz ZRSORUCKICGIEB-UHFFFAOYSA-N -1 0 342.307 3.142 20 30 EGEDRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)C[C@@H](CC#N)c2ccccc2)C1 ZINC001589605157 987448788 /nfs/dbraw/zinc/44/87/88/987448788.db2.gz GBRDLVRNZNKREM-SJORKVTESA-N -1 0 342.439 3.423 20 30 EGEDRM CSc1c(F)cccc1C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001599806392 988262433 /nfs/dbraw/zinc/26/24/33/988262433.db2.gz UDSORCCEQWUTOM-CQSZACIVSA-N -1 0 345.351 3.402 20 30 EGEDRM CC(C)(C)OC1CC(CC(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC001590374024 989864596 /nfs/dbraw/zinc/86/45/96/989864596.db2.gz BPNKVZHMCNGQHE-PUJMQQBBSA-N -1 0 345.395 3.211 20 30 EGEDRM CC(C)(C)O[C@H]1C[C@@H](Nc2ccc(C(=O)[O-])nc2C#N)C12CCC2 ZINC001590379710 989893140 /nfs/dbraw/zinc/89/31/40/989893140.db2.gz ZEMHIVPIIOHAKM-CABCVRRESA-N -1 0 329.400 3.190 20 30 EGEDRM CC(C)(CCC#N)CNC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001590653716 990344594 /nfs/dbraw/zinc/34/45/94/990344594.db2.gz FSEUMNAFADRLSI-HNNXBMFYSA-N -1 0 345.443 3.468 20 30 EGEDRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)c1ccc2c(C#N)c[nH]c2c1 ZINC001591312985 992273790 /nfs/dbraw/zinc/27/37/90/992273790.db2.gz HZJOOJGBSCFVHY-UHFFFAOYSA-N -1 0 341.411 3.249 20 30 EGEDRM C[C@H](Nc1ccc(C#N)cc1[N+](=O)[O-])c1ccc(OCC(=O)[O-])cc1 ZINC001593359363 995015276 /nfs/dbraw/zinc/01/52/76/995015276.db2.gz COXFLGMWRWPAKY-NSHDSACASA-N -1 0 341.323 3.103 20 30 EGEDRM C[C@@H](Nc1cc(C#N)sc1[N+](=O)[O-])[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593359729 995019952 /nfs/dbraw/zinc/01/99/52/995019952.db2.gz LDEJMUOCPVKTTE-MFKMUULPSA-N -1 0 345.380 3.272 20 30 EGEDRM COc1ccc(C(=O)[O-])c(NC(=O)c2ccc(C3(C#N)CC3)cc2)c1 ZINC001599489830 996918833 /nfs/dbraw/zinc/91/88/33/996918833.db2.gz HQDNNLAWANZRGM-UHFFFAOYSA-N -1 0 336.347 3.201 20 30 EGEDRM COc1ccc([C@H](NC(=O)CCCCCC#N)C(=O)[O-])cc1Cl ZINC001599515359 997374066 /nfs/dbraw/zinc/37/40/66/997374066.db2.gz FBAYEHDZKASLFG-HNNXBMFYSA-N -1 0 338.791 3.065 20 30 EGEDRM COc1cc(CN[C@H](C(=O)[O-])c2c(F)cccc2Cl)ccc1C#N ZINC001599414765 997487063 /nfs/dbraw/zinc/48/70/63/997487063.db2.gz SFMJKMXYWPTWBC-INIZCTEOSA-N -1 0 348.761 3.275 20 30 EGEDRM COC(=O)c1cc(Cl)ccc1C(=O)/C=C/c1c[nH]c(C(=O)[O-])c1 ZINC001598935814 997862943 /nfs/dbraw/zinc/86/29/43/997862943.db2.gz MXOVPZMTSKDPCF-GORDUTHDSA-N -1 0 333.727 3.049 20 30 EGEDRM COc1ccc(CNc2ccc3cc(C#N)ccc3n2)cc1C(=O)[O-] ZINC001599574750 998423730 /nfs/dbraw/zinc/42/37/30/998423730.db2.gz PGAIHTKZFIYGSM-UHFFFAOYSA-N -1 0 333.347 3.425 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1OC(=O)c1ccc(Cl)c(C#N)c1 ZINC001599378644 998530554 /nfs/dbraw/zinc/53/05/54/998530554.db2.gz CUWSLTMNVDKQMF-UHFFFAOYSA-N -1 0 331.711 3.138 20 30 EGEDRM COC(=O)c1cccc(CSCc2cccc(C(=O)[O-])c2C#N)c1 ZINC001598999961 998815442 /nfs/dbraw/zinc/81/54/42/998815442.db2.gz QAXPPLOUKWKSRM-UHFFFAOYSA-N -1 0 341.388 3.476 20 30 EGEDRM C[C@@H]1CC(n2nc(C(=O)[O-])cc2-c2ccc(C#N)cc2)C[C@@H](C)O1 ZINC001594271899 999052178 /nfs/dbraw/zinc/05/21/78/999052178.db2.gz MCSIXZQKFKBKPL-VXGBXAGGSA-N -1 0 325.368 3.248 20 30 EGEDRM C[C@@H]1CC[C@](NC(=O)C#Cc2ccccc2)(C(=O)[O-])c2ccccc21 ZINC001594324302 999250864 /nfs/dbraw/zinc/25/08/64/999250864.db2.gz WRDHWDZRASXUJY-QVKFZJNVSA-N -1 0 333.387 3.032 20 30 EGEDRM C=C(C)C[C@@H](C)C(=O)N[C@H](C(=O)[O-])c1ccc(OC)c(Cl)c1 ZINC000263209528 245361320 /nfs/dbraw/zinc/36/13/20/245361320.db2.gz ZMKLPEOCOVNDMK-YGRLFVJLSA-N -1 0 325.792 3.193 20 30 EGEDRM C=C(C)C[C@H](C)C(=O)N[C@H](C(=O)[O-])c1ccc(OC)c(Cl)c1 ZINC000263209525 245361939 /nfs/dbraw/zinc/36/19/39/245361939.db2.gz ZMKLPEOCOVNDMK-HZMBPMFUSA-N -1 0 325.792 3.193 20 30 EGEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccccc1SC ZINC000184770782 144099700 /nfs/dbraw/zinc/09/97/00/144099700.db2.gz CWWUSYHUZRHGBD-UHFFFAOYSA-N -1 0 334.422 3.090 20 30 EGEDRM COc1cc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)ccc1F ZINC000186748825 144142524 /nfs/dbraw/zinc/14/25/24/144142524.db2.gz ABXXTIGKEXZDDL-UHFFFAOYSA-N -1 0 340.763 3.160 20 30 EGEDRM Cc1[nH]nc([N-]S(=O)(=O)c2cccc(-c3ccccc3)c2)c1C#N ZINC000351392771 144263844 /nfs/dbraw/zinc/26/38/44/144263844.db2.gz AWSRXTVPAZRIQF-UHFFFAOYSA-N -1 0 338.392 3.058 20 30 EGEDRM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)N=c1[n-]n(C(C)C)cc1C#N ZINC000330971866 154192637 /nfs/dbraw/zinc/19/26/37/154192637.db2.gz UFAKXBBCBRLBBS-KBMXLJTQSA-N -1 0 332.448 3.070 20 30 EGEDRM N#Cc1cccc(S(=O)(=O)[N-]c2noc3cc(Cl)ccc32)c1 ZINC000342644086 163931225 /nfs/dbraw/zinc/93/12/25/163931225.db2.gz BRFQEFWPAFQBDV-UHFFFAOYSA-N -1 0 333.756 3.154 20 30 EGEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccnn1[C@@H](C)CC(C)C ZINC000359152405 167082153 /nfs/dbraw/zinc/08/21/53/167082153.db2.gz ZOXILGJTFIBPPY-AWEZNQCLSA-N -1 0 346.456 3.471 20 30 EGEDRM N#Cc1csc(CN=c2[n-]nc(-c3cccc(OC(F)F)c3)o2)c1 ZINC000359478094 167167888 /nfs/dbraw/zinc/16/78/88/167167888.db2.gz XYKOEIMUDYLHSY-UHFFFAOYSA-N -1 0 348.334 3.305 20 30 EGEDRM Cc1nc(N(C)Cc2nc(=O)c3sccc3[n-]2)c(Cl)cc1C#N ZINC000359841303 167245542 /nfs/dbraw/zinc/24/55/42/167245542.db2.gz NVLVSRUNPBKIJT-UHFFFAOYSA-N -1 0 345.815 3.262 20 30 EGEDRM CSc1cc(C(=O)N=c2[nH][n-]c(C)c2C#N)c(Cl)cc1Cl ZINC000431695608 269810617 /nfs/dbraw/zinc/81/06/17/269810617.db2.gz KAWVOFMIFFRPIG-UHFFFAOYSA-N -1 0 341.223 3.293 20 30 EGEDRM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1cc(C#N)ccc1C ZINC000531321361 269925682 /nfs/dbraw/zinc/92/56/82/269925682.db2.gz FLMJWDFSYFZGHV-UHFFFAOYSA-N -1 0 332.429 3.062 20 30 EGEDRM N#Cc1ccc(C(=O)N=c2[n-]nc(-c3cc4ccccc4o3)s2)o1 ZINC000505301580 269958990 /nfs/dbraw/zinc/95/89/90/269958990.db2.gz KAUHIPWMNBRMLN-UHFFFAOYSA-N -1 0 336.332 3.090 20 30 EGEDRM N#Cc1cc([N-]S(=O)(=O)c2cnc3ccc(F)cc3c2)ccc1F ZINC000436478949 270051679 /nfs/dbraw/zinc/05/16/79/270051679.db2.gz SMWRPMQFKZUMPW-UHFFFAOYSA-N -1 0 345.330 3.185 20 30 EGEDRM CCCN(Cc1ccc(C#N)cc1)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179418451 266050266 /nfs/dbraw/zinc/05/02/66/266050266.db2.gz JNCDDUUWNSFXHC-UHFFFAOYSA-N -1 0 339.351 3.224 20 30 EGEDRM CCCc1n[n-]c(=NCc2cccn2Cc2ccccc2C#N)s1 ZINC000438241911 267043292 /nfs/dbraw/zinc/04/32/92/267043292.db2.gz SVAFIYHVLDYGJO-UHFFFAOYSA-N -1 0 337.452 3.246 20 30 EGEDRM CCOc1ccc(OC)cc1[N-]S(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000435722007 267172330 /nfs/dbraw/zinc/17/23/30/267172330.db2.gz GODFLWCRXZUJLO-UHFFFAOYSA-N -1 0 346.408 3.075 20 30 EGEDRM CC[C@H]1CCc2nc(NC(=O)c3ccc(C#N)c([O-])c3)sc2C1 ZINC000442729504 267228926 /nfs/dbraw/zinc/22/89/26/267228926.db2.gz AGAWFXDSJUCISD-JTQLQIEISA-N -1 0 327.409 3.488 20 30 EGEDRM Cc1c(C#N)cccc1NC(=O)CC1(C(=O)[O-])Cc2ccccc2C1 ZINC000178989558 267284105 /nfs/dbraw/zinc/28/41/05/267284105.db2.gz JZABVZWDXBNKAK-UHFFFAOYSA-N -1 0 334.375 3.065 20 30 EGEDRM CN(CCCC(=O)[O-])c1c(C#N)cnc2ccc(OC(F)F)cc21 ZINC000416423174 267306207 /nfs/dbraw/zinc/30/62/07/267306207.db2.gz SLPHDJDHACZFBR-UHFFFAOYSA-N -1 0 335.310 3.009 20 30 EGEDRM Cc1oc(C#N)cc1C([O-])=C(C#N)c1nc(-c2ccncc2)cs1 ZINC000435779520 268103339 /nfs/dbraw/zinc/10/33/39/268103339.db2.gz RGOXAEICLOTVDF-CQSZACIVSA-N -1 0 334.360 3.468 20 30 EGEDRM N#Cc1cc(NC(=O)c2c(O)cccc2O)ccc1OC(F)(F)F ZINC000443388235 268188217 /nfs/dbraw/zinc/18/82/17/268188217.db2.gz SUXCSEUJZLGKLE-UHFFFAOYSA-N -1 0 338.241 3.120 20 30 EGEDRM N#Cc1ccc(C(=O)[O-])nc1/C=C\c1ccc(F)c(C#N)c1Cl ZINC000431570077 268207130 /nfs/dbraw/zinc/20/71/30/268207130.db2.gz LEYMLZOOMMADIZ-DJWKRKHSSA-N -1 0 327.702 3.486 20 30 EGEDRM N#Cc1ccc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)c(Cl)c1 ZINC000494584183 268247451 /nfs/dbraw/zinc/24/74/51/268247451.db2.gz USVCGJXZOLAIOG-UHFFFAOYSA-N -1 0 341.714 3.248 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)(F)F)s1 ZINC000521963720 268258296 /nfs/dbraw/zinc/25/82/96/268258296.db2.gz WPTPYLUZUVZWOK-LBPRGKRZSA-N -1 0 346.355 3.202 20 30 EGEDRM Cc1cc(Cl)c2ncc(C#N)c(N3CCC(C(=O)[O-])CC3)c2c1 ZINC000263525202 301285746 /nfs/dbraw/zinc/28/57/46/301285746.db2.gz SXDHYISLBBWQQP-UHFFFAOYSA-N -1 0 329.787 3.369 20 30 EGEDRM CC(C)c1[n-]n(-c2ccccc2)c(=O)c1C(=O)Nc1ccc(C#N)cc1 ZINC000155598811 307817178 /nfs/dbraw/zinc/81/71/78/307817178.db2.gz CAZHNPNWNOYFEW-KRWDZBQOSA-N -1 0 346.390 3.172 20 30 EGEDRM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1cccc(C)c1C#N ZINC000538361999 314242440 /nfs/dbraw/zinc/24/24/40/314242440.db2.gz HQLDEASKZFFGPH-UHFFFAOYSA-N -1 0 332.429 3.062 20 30 EGEDRM Cc1cccc([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)c1F ZINC000180019919 323419508 /nfs/dbraw/zinc/41/95/08/323419508.db2.gz FHYQOQNVEBMINF-UHFFFAOYSA-N -1 0 326.299 3.085 20 30 EGEDRM CCCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)o2)cc1Cl ZINC000581153326 325335491 /nfs/dbraw/zinc/33/54/91/325335491.db2.gz QLSMTJDDUSENIO-UHFFFAOYSA-N -1 0 340.788 3.394 20 30 EGEDRM Cc1cc(-c2cccc(C#N)c2)ccc1C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000581895749 325397290 /nfs/dbraw/zinc/39/72/90/325397290.db2.gz OJUNKUDJOPXJLF-GOSISDBHSA-N -1 0 348.402 3.471 20 30 EGEDRM COCC1(C#N)CCN(C(=O)c2c([O-])cc(Cl)cc2Cl)CC1 ZINC000436729574 458369486 /nfs/dbraw/zinc/36/94/86/458369486.db2.gz RWWSQGUHABJGAJ-UHFFFAOYSA-N -1 0 343.210 3.091 20 30 EGEDRM O=C([O-])c1cccc(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)c1 ZINC000238126325 455255783 /nfs/dbraw/zinc/25/57/83/455255783.db2.gz LDBSHXIQISIJNC-UHFFFAOYSA-N -1 0 347.292 3.185 20 30 EGEDRM CSC1(C/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])CCOCC1 ZINC000158162482 455275947 /nfs/dbraw/zinc/27/59/47/455275947.db2.gz KCXRZGBAHJFEAF-LZYBPNLTSA-N -1 0 344.820 3.285 20 30 EGEDRM Cc1sc([C@@H]2CCCN2c2ccc(Cl)c(C#N)n2)nc1C(=O)[O-] ZINC000600675891 460565360 /nfs/dbraw/zinc/56/53/60/460565360.db2.gz ORUGYVYDMJSPRA-NSHDSACASA-N -1 0 348.815 3.411 20 30 EGEDRM CCOc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C#N)c(C)c1 ZINC000183397609 455287294 /nfs/dbraw/zinc/28/72/94/455287294.db2.gz FUSMQERCZBWXOF-UHFFFAOYSA-N -1 0 334.372 3.205 20 30 EGEDRM CC[C@@H](CC#N)NC(=O)c1cc(Cl)cc(Br)c1[O-] ZINC000184162807 455358240 /nfs/dbraw/zinc/35/82/40/455358240.db2.gz SNEMYDABECWBDD-QMMMGPOBSA-N -1 0 331.597 3.230 20 30 EGEDRM N#Cc1cccc([N-]S(=O)(=O)c2ccc(Br)s2)c1 ZINC000016147460 453597257 /nfs/dbraw/zinc/59/72/57/453597257.db2.gz MEYQPNGBMSDDPE-UHFFFAOYSA-N -1 0 343.227 3.183 20 30 EGEDRM CC(C)(C#N)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1 ZINC000025439403 453773214 /nfs/dbraw/zinc/77/32/14/453773214.db2.gz AGDFRQCZMJSLBI-UHFFFAOYSA-N -1 0 325.324 3.354 20 30 EGEDRM N#Cc1nc(NC(=O)c2cccc(OCc3cccs3)c2)[n-]c1C#N ZINC000030861111 453840077 /nfs/dbraw/zinc/84/00/77/453840077.db2.gz QWKIGYSLVNWXML-UHFFFAOYSA-N -1 0 349.375 3.046 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2ncccc2OCC(F)(F)F)n1 ZINC000083937539 453961598 /nfs/dbraw/zinc/96/15/98/453961598.db2.gz SQLHHYHVOMTQQV-VIFPVBQESA-N -1 0 341.314 3.278 20 30 EGEDRM CNc1ccc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)cc1[N+](=O)[O-] ZINC000041497373 453969546 /nfs/dbraw/zinc/96/95/46/453969546.db2.gz XWPVEFZEWTVATI-LLVKDONJSA-N -1 0 335.323 3.003 20 30 EGEDRM Cc1cccc(S(=O)(=O)[N-]c2cc(C#N)ccc2OC(F)F)c1 ZINC000076195368 453978074 /nfs/dbraw/zinc/97/80/74/453978074.db2.gz MUSDPAAXVWJTCT-UHFFFAOYSA-N -1 0 338.335 3.269 20 30 EGEDRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)CCC1CCCCC1 ZINC000042326044 454006172 /nfs/dbraw/zinc/00/61/72/454006172.db2.gz BPWNIOBKHVETKN-UHFFFAOYSA-N -1 0 327.450 3.043 20 30 EGEDRM CC(C)(C#N)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1 ZINC000184640260 455418865 /nfs/dbraw/zinc/41/88/65/455418865.db2.gz IRNFRFZLOJTLOW-UHFFFAOYSA-N -1 0 325.324 3.354 20 30 EGEDRM N#CC1CCN(C(=O)c2cc(OCc3ccccc3)ccc2O)CC1 ZINC000130681714 454212552 /nfs/dbraw/zinc/21/25/52/454212552.db2.gz BWZLEAWEBAIHLR-UHFFFAOYSA-N -1 0 336.391 3.347 20 30 EGEDRM C[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000071883910 454241650 /nfs/dbraw/zinc/24/16/50/454241650.db2.gz XOGDRPKBPMDNCO-HTRCEHHLSA-N -1 0 325.283 3.146 20 30 EGEDRM N#CC(=C([O-])c1cnc(-c2ccc3c(c2)OCO3)s1)c1ccccn1 ZINC000072270928 454279821 /nfs/dbraw/zinc/27/98/21/454279821.db2.gz SSUIGDJJGRZBLR-GFCCVEGCSA-N -1 0 349.371 3.424 20 30 EGEDRM N#CC(=C([O-])c1cnc(-c2ccc3c(c2)OCO3)s1)c1ccccn1 ZINC000072270929 454280180 /nfs/dbraw/zinc/28/01/80/454280180.db2.gz SSUIGDJJGRZBLR-LBPRGKRZSA-N -1 0 349.371 3.424 20 30 EGEDRM CCSCc1ccnc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000090367858 454297875 /nfs/dbraw/zinc/29/78/75/454297875.db2.gz KHIXEFDSJDIGPO-UHFFFAOYSA-N -1 0 333.438 3.007 20 30 EGEDRM CCc1cc(C([O-])=C(C#N)c2nnc3n2CCCCC3)sc1C ZINC000060851541 454317687 /nfs/dbraw/zinc/31/76/87/454317687.db2.gz BGKDRVUEDNCSDT-CYBMUJFWSA-N -1 0 328.441 3.427 20 30 EGEDRM C=CCOc1ccccc1C(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000120740999 454340815 /nfs/dbraw/zinc/34/08/15/454340815.db2.gz NKADDBJKSUALCJ-UHFFFAOYSA-N -1 0 329.352 3.123 20 30 EGEDRM CC(C)Oc1ccc(S(=O)(=O)[N-]C(=O)C=Cc2ccncc2)cc1 ZINC000091127346 454387546 /nfs/dbraw/zinc/38/75/46/454387546.db2.gz KYDVLVHQUGSEGT-FPYGCLRLSA-N -1 0 346.408 3.227 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ncc(-c3ccccc3)s2)cc1 ZINC000073803367 454485326 /nfs/dbraw/zinc/48/53/26/454485326.db2.gz OOTKTVIJASMBGO-UHFFFAOYSA-N -1 0 341.417 3.483 20 30 EGEDRM COc1ccc(COCCC/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000066255503 454672752 /nfs/dbraw/zinc/67/27/52/454672752.db2.gz BEYAMQIUQNIUMD-XDHOZWIPSA-N -1 0 344.367 3.335 20 30 EGEDRM C=CCCO[C@@H](C)C(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000191473638 455488079 /nfs/dbraw/zinc/48/80/79/455488079.db2.gz BHKVYKWRCMKWIE-GUYCJALGSA-N -1 0 327.380 3.063 20 30 EGEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(F)cc2Cl)c(F)c1 ZINC000128024019 455019696 /nfs/dbraw/zinc/01/96/96/455019696.db2.gz OKHMOACWBRLAKV-UHFFFAOYSA-N -1 0 346.717 3.430 20 30 EGEDRM C=C[C@H](CC(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1)c1ccccc1 ZINC000179262570 455025519 /nfs/dbraw/zinc/02/55/19/455025519.db2.gz IFJOZGNFLUSDFB-CYBMUJFWSA-N -1 0 335.363 3.328 20 30 EGEDRM CC(C)(C)c1[n-]n(CC(=O)Nc2cccc(F)c2)c(=O)c1CCC#N ZINC000151839637 455037365 /nfs/dbraw/zinc/03/73/65/455037365.db2.gz FGWFRNQCDGBODE-UHFFFAOYSA-N -1 0 344.390 3.120 20 30 EGEDRM N#CC(=C([O-])c1ccc(OCC(F)F)nc1)c1nc2ccccc2o1 ZINC000179457853 455049321 /nfs/dbraw/zinc/04/93/21/455049321.db2.gz SRHWQGYKLSNKSB-LLVKDONJSA-N -1 0 343.289 3.357 20 30 EGEDRM COC(=O)Nc1cccc(C([O-])=C(C#N)c2nc3ccccc3o2)c1 ZINC000171402850 455067321 /nfs/dbraw/zinc/06/73/21/455067321.db2.gz RGRHFPAMJFLBAX-CYBMUJFWSA-N -1 0 335.319 3.496 20 30 EGEDRM Cc1cccc(S(=O)(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1C#N ZINC000156326041 455104875 /nfs/dbraw/zinc/10/48/75/455104875.db2.gz HOQMFRGVVTXLBT-VXGBXAGGSA-N -1 0 346.374 3.266 20 30 EGEDRM N#Cc1nc(NC(=O)c2cc(-c3ccccn3)ccc2Cl)[n-]c1C#N ZINC000129868244 455130737 /nfs/dbraw/zinc/13/07/37/455130737.db2.gz AYKJSGKINFFYCA-UHFFFAOYSA-N -1 0 348.753 3.121 20 30 EGEDRM CC(C)n1cc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)cn1 ZINC000157613013 455213106 /nfs/dbraw/zinc/21/31/06/455213106.db2.gz UIQSCPBZYDOPIG-UHFFFAOYSA-N -1 0 332.429 3.066 20 30 EGEDRM CC[C@@H](CC#N)NC(=O)c1nn(-c2ccc(C(C)C)cc2)cc1[O-] ZINC000183859964 455333412 /nfs/dbraw/zinc/33/34/12/455333412.db2.gz MAUNZOMQZPZXDE-AWEZNQCLSA-N -1 0 326.400 3.123 20 30 EGEDRM N#CCCN(Cc1ccco1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000159572187 455386046 /nfs/dbraw/zinc/38/60/46/455386046.db2.gz MQGXVOHTLCLOGA-UHFFFAOYSA-N -1 0 335.747 3.463 20 30 EGEDRM N#C[C@@H](NC(=O)c1c([O-])cccc1F)c1cccc(Br)c1 ZINC000184515427 455395095 /nfs/dbraw/zinc/39/50/95/455395095.db2.gz PIOKRGUTWHUGHM-GFCCVEGCSA-N -1 0 349.159 3.288 20 30 EGEDRM Cc1c(C([O-])=C(C#N)c2cnc3ccccc3n2)cnn1C(C)(C)C ZINC000190906556 455402163 /nfs/dbraw/zinc/40/21/63/455402163.db2.gz NJZVDKLVXWEEEM-ZDUSSCGKSA-N -1 0 333.395 3.380 20 30 EGEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N/C[C@H]2COC3(CCCC3)O2)c1[O-] ZINC000271570526 455687788 /nfs/dbraw/zinc/68/77/88/455687788.db2.gz VPPBTWXGEDIFTA-SMWBLXLWSA-N -1 0 340.763 3.058 20 30 EGEDRM COC(=O)c1cc(Cn2[n-]c(C(C)(C)C)c(CCC#N)c2=O)oc1C ZINC000271725189 455735956 /nfs/dbraw/zinc/73/59/56/455735956.db2.gz LILAJDVAEINAKT-UHFFFAOYSA-N -1 0 345.399 3.079 20 30 EGEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)C1CCC(C(=O)[O-])CC1 ZINC000194429705 455841311 /nfs/dbraw/zinc/84/13/11/455841311.db2.gz XRQRMSASMQEIGN-UHFFFAOYSA-N -1 0 331.412 3.101 20 30 EGEDRM CCCCCCCC(=O)Nc1ccc(C(=O)N[C@@H](C)C(=O)[O-])cc1 ZINC000296843504 456051171 /nfs/dbraw/zinc/05/11/71/456051171.db2.gz UUSHOUPETXPHKZ-ZDUSSCGKSA-N -1 0 334.416 3.189 20 30 EGEDRM CC1CCN(c2ccc([N-]S(=O)(=O)c3ccc(C#N)o3)cc2)CC1 ZINC000288455792 456096409 /nfs/dbraw/zinc/09/64/09/456096409.db2.gz PNTUETKVUSDSGI-UHFFFAOYSA-N -1 0 345.424 3.188 20 30 EGEDRM C=CCC[C@H](NC(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1)c1ccccc1 ZINC000263153851 456102122 /nfs/dbraw/zinc/10/21/22/456102122.db2.gz FPHJYTWRTGQJEW-UAGQMJEPSA-N -1 0 330.428 3.446 20 30 EGEDRM COc1ccc(NC(=O)c2ccc(C#N)c([O-])c2)cc1OC(C)C ZINC000188800366 456141385 /nfs/dbraw/zinc/14/13/85/456141385.db2.gz AWWLOZOERRBJDL-UHFFFAOYSA-N -1 0 326.352 3.312 20 30 EGEDRM C=C[C@@H](C)Nc1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2)cn1 ZINC000301617673 456163955 /nfs/dbraw/zinc/16/39/55/456163955.db2.gz WJWRDRHWHICRJU-SNVBAGLBSA-N -1 0 339.367 3.147 20 30 EGEDRM CCCC[C@H](Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)C(=O)[O-] ZINC000263556934 456166975 /nfs/dbraw/zinc/16/69/75/456166975.db2.gz OYLOMDAJVLUXKH-AWEZNQCLSA-N -1 0 328.328 3.070 20 30 EGEDRM Cc1nc(-c2ccc(C([O-])=C(C#N)c3nc4ccccc4o3)cc2)n[nH]1 ZINC000347796376 456372320 /nfs/dbraw/zinc/37/23/20/456372320.db2.gz FXTRIOWWERHMNS-CQSZACIVSA-N -1 0 343.346 3.411 20 30 EGEDRM C=CCOc1ccc(CN=c2[n-]nc(Cc3ccsc3)o2)cc1 ZINC000347872227 456417862 /nfs/dbraw/zinc/41/78/62/456417862.db2.gz HLAUROIRIXGWKN-UHFFFAOYSA-N -1 0 327.409 3.321 20 30 EGEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(SC)c1 ZINC000337747075 456520909 /nfs/dbraw/zinc/52/09/09/456520909.db2.gz GWYGJZJIQKYTLH-UHFFFAOYSA-N -1 0 334.422 3.090 20 30 EGEDRM N#CCc1ccccc1[N-]S(=O)(=O)c1ccccc1-c1ccno1 ZINC000337860214 456573795 /nfs/dbraw/zinc/57/37/95/456573795.db2.gz MFKXYJBHRMOCJJ-UHFFFAOYSA-N -1 0 339.376 3.208 20 30 EGEDRM C=CCOc1ccccc1C(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC000324435251 456667216 /nfs/dbraw/zinc/66/72/16/456667216.db2.gz WOODBJPAEGOPFZ-UHFFFAOYSA-N -1 0 331.412 3.406 20 30 EGEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C(F)F)cc1 ZINC000340805080 456694302 /nfs/dbraw/zinc/69/43/02/456694302.db2.gz BXCBVUMOVBKNGY-UHFFFAOYSA-N -1 0 338.335 3.305 20 30 EGEDRM CCOC(=O)c1cnc(/C=C/c2ccc(C#N)s2)c(C(=O)[O-])c1 ZINC000340952438 456781384 /nfs/dbraw/zinc/78/13/84/456781384.db2.gz JSRUJNHEJLQQRE-AATRIKPKSA-N -1 0 328.349 3.060 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)N[C@@H](C)Cc2ccccc2C)cc1C#N ZINC000341854492 456973304 /nfs/dbraw/zinc/97/33/04/456973304.db2.gz NIYVKXNTLNBALO-LBPRGKRZSA-N -1 0 341.436 3.050 20 30 EGEDRM N#Cc1cccc(COc2ccc(NC(=O)c3ncccc3[O-])cc2)c1 ZINC000341978959 457038864 /nfs/dbraw/zinc/03/88/64/457038864.db2.gz XMTKEMMFPLWZRI-UHFFFAOYSA-N -1 0 345.358 3.490 20 30 EGEDRM CCCSc1nc(=NC(=O)N[C@@H](C)c2ccc(C#N)cc2)s[n-]1 ZINC000356569676 457061572 /nfs/dbraw/zinc/06/15/72/457061572.db2.gz WZIIDJJHKHLEAZ-JTQLQIEISA-N -1 0 347.469 3.216 20 30 EGEDRM CC(C)(C#N)c1ccc(C(=O)N=c2nc(-c3cccnc3)[n-]s2)cc1 ZINC000359902371 457140142 /nfs/dbraw/zinc/14/01/42/457140142.db2.gz PKFHATOFVPPGTH-UHFFFAOYSA-N -1 0 349.419 3.075 20 30 EGEDRM CN(C)c1ccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)nc1 ZINC000342332524 457242223 /nfs/dbraw/zinc/24/22/23/457242223.db2.gz JCFMSBVQTPUGPO-CQSZACIVSA-N -1 0 349.419 3.156 20 30 EGEDRM C=C(C)[C@@H](NC(=O)N=c1ccc(C2CC2)n[n-]1)c1ccc(F)c(F)c1 ZINC000360209052 457295186 /nfs/dbraw/zinc/29/51/86/457295186.db2.gz XVAOJJIPTGTDCG-QGZVFWFLSA-N -1 0 344.365 3.493 20 30 EGEDRM Cc1[n-][nH]c(=NC(=O)c2csc(-c3ccc(C)cc3C)n2)c1C#N ZINC000357227973 457386104 /nfs/dbraw/zinc/38/61/04/457386104.db2.gz HSUFWPHFUYNZLS-UHFFFAOYSA-N -1 0 337.408 3.004 20 30 EGEDRM N#CCCCOc1cccc(N=c2[n-]nc(-c3ccccn3)s2)c1 ZINC000360965756 457473113 /nfs/dbraw/zinc/47/31/13/457473113.db2.gz JLCMFJOPORKGED-UHFFFAOYSA-N -1 0 337.408 3.448 20 30 EGEDRM C=CCC[C@H](C(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1)c1ccccc1 ZINC000425298176 457487162 /nfs/dbraw/zinc/48/71/62/457487162.db2.gz IZMZBKVUEKFOFG-CVEARBPZSA-N -1 0 341.411 3.231 20 30 EGEDRM Cc1nc([C@H]2CCCO2)sc1C([O-])=C(C#N)c1cc(C)nc(C)n1 ZINC000347569054 457515569 /nfs/dbraw/zinc/51/55/69/457515569.db2.gz ANYRNUUKNYAVFT-GXTWGEPZSA-N -1 0 342.424 3.200 20 30 EGEDRM Cc1nc([C@@H]2CCCO2)sc1C([O-])=C(C#N)c1cc(C)nc(C)n1 ZINC000347569057 457515802 /nfs/dbraw/zinc/51/58/02/457515802.db2.gz ANYRNUUKNYAVFT-JSGCOSHPSA-N -1 0 342.424 3.200 20 30 EGEDRM CCOC(=O)c1cc(NC(=O)c2ccc(C#N)c([O-])c2)c(F)cc1C ZINC000356388667 457600992 /nfs/dbraw/zinc/60/09/92/457600992.db2.gz HTBNIQBXDGBHSP-UHFFFAOYSA-N -1 0 342.326 3.140 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(C(C)C)nc2)n1 ZINC000435744862 458195134 /nfs/dbraw/zinc/19/51/34/458195134.db2.gz ZSMBVSQUJMMWJB-LBPRGKRZSA-N -1 0 343.408 3.328 20 30 EGEDRM CCOC(=O)c1cnc(/C=C\c2ccc(C#N)c(C)c2)c(C(=O)[O-])c1 ZINC000435757947 458197248 /nfs/dbraw/zinc/19/72/48/458197248.db2.gz DDXZURBOUOSBAJ-ALCCZGGFSA-N -1 0 336.347 3.307 20 30 EGEDRM CCCc1c(C([O-])=C(C#N)c2ccncn2)cnn1-c1ccc(C)cc1 ZINC000429276070 458305234 /nfs/dbraw/zinc/30/52/34/458305234.db2.gz CZZBOKZNQCWZKY-INIZCTEOSA-N -1 0 345.406 3.413 20 30 EGEDRM Cc1ccc(-c2cc(=NC(=O)c3cccc(SCC#N)c3)[nH][n-]2)o1 ZINC000447800352 458342883 /nfs/dbraw/zinc/34/28/83/458342883.db2.gz RTLVFDRGNRXAFB-UHFFFAOYSA-N -1 0 338.392 3.268 20 30 EGEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc2nc(C(F)F)sc2c1 ZINC000416969004 458358307 /nfs/dbraw/zinc/35/83/07/458358307.db2.gz ZPTOVCUXWNBFAW-QMMMGPOBSA-N -1 0 331.369 3.278 20 30 EGEDRM CCOc1nc2cc(C([O-])=C(C#N)c3nc(C)cs3)ccc2[nH]1 ZINC000436697827 458362201 /nfs/dbraw/zinc/36/22/01/458362201.db2.gz OEGNJSHSSMQGMP-LLVKDONJSA-N -1 0 326.381 3.217 20 30 EGEDRM CC(C)(C#N)CNC(=O)c1cc(Cl)cc(Br)c1[O-] ZINC000436713415 458366778 /nfs/dbraw/zinc/36/67/78/458366778.db2.gz FGPAASQEFVRJFC-UHFFFAOYSA-N -1 0 331.597 3.088 20 30 EGEDRM Cc1cc(C)cc(-c2n[n-]c(=NC(=O)NCC(C)(C)CC#N)s2)c1 ZINC000459514149 458396779 /nfs/dbraw/zinc/39/67/79/458396779.db2.gz SCNNMDIVJADCRM-UHFFFAOYSA-N -1 0 343.456 3.305 20 30 EGEDRM Cc1csc(S(=O)(=O)[N-]c2nc(C)c(SCC#N)s2)c1 ZINC000450968839 458461488 /nfs/dbraw/zinc/46/14/88/458461488.db2.gz LDWJQOJXDKRMFF-UHFFFAOYSA-N -1 0 345.496 3.238 20 30 EGEDRM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1sc(C)cc1C ZINC000431164284 458537863 /nfs/dbraw/zinc/53/78/63/458537863.db2.gz UZQWQIPTZOUJAQ-UHFFFAOYSA-N -1 0 335.454 3.469 20 30 EGEDRM C=CCOc1cccnc1C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000431353875 458560326 /nfs/dbraw/zinc/56/03/26/458560326.db2.gz XEATVNDMYXXILF-UHFFFAOYSA-N -1 0 332.743 3.250 20 30 EGEDRM C=CCc1cc(CN=c2[n-]nc(-c3ccccc3)o2)cc(OC)c1O ZINC000508579658 458760902 /nfs/dbraw/zinc/76/09/02/458760902.db2.gz QLDVDRMHPWDIKD-UHFFFAOYSA-N -1 0 337.379 3.213 20 30 EGEDRM COc1cc([N+](=O)[O-])ccc1C([O-])=C(C#N)c1cnc2ccccc2n1 ZINC000495252818 458820658 /nfs/dbraw/zinc/82/06/58/458820658.db2.gz UWIKVDGBUDJPJW-CYBMUJFWSA-N -1 0 348.318 3.037 20 30 EGEDRM CC(C)(C)OC(=O)Nc1cccc(C([O-])=C(C#N)c2ccncn2)c1 ZINC000495312509 458832490 /nfs/dbraw/zinc/83/24/90/458832490.db2.gz NSBGXTRBKSMJQR-CQSZACIVSA-N -1 0 338.367 3.314 20 30 EGEDRM Cc1cc(C#N)cnc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000551926021 458889400 /nfs/dbraw/zinc/88/94/00/458889400.db2.gz UAWVVTLNRKVCIY-LBPRGKRZSA-N -1 0 330.269 3.166 20 30 EGEDRM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]c1cc(CC#N)ccn1 ZINC000531652784 458954340 /nfs/dbraw/zinc/95/43/40/458954340.db2.gz YYLYMFNEAKUAGE-UHFFFAOYSA-N -1 0 345.355 3.142 20 30 EGEDRM C=CCC[C@H](NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1)C(=O)[O-] ZINC000495959861 459019590 /nfs/dbraw/zinc/01/95/90/459019590.db2.gz DBNJDJVWZJEZCU-AWEZNQCLSA-N -1 0 348.399 3.183 20 30 EGEDRM C=CCn1c(-c2ccc(Cl)cc2Cl)n[n-]c1=Nc1cnn(C)c1 ZINC000557524923 459080308 /nfs/dbraw/zinc/08/03/08/459080308.db2.gz GHJIRPQTNNEPBA-UHFFFAOYSA-N -1 0 349.225 3.337 20 30 EGEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ncn(C(C)(C)C)n2)s1 ZINC000579660765 459249198 /nfs/dbraw/zinc/24/91/98/459249198.db2.gz LBCRTMRCJGUUQW-SNVBAGLBSA-N -1 0 331.445 3.277 20 30 EGEDRM C=CCCCCNC(=O)N=c1[n-]nc(-c2ccc(OC)cc2)s1 ZINC000481953483 459283105 /nfs/dbraw/zinc/28/31/05/459283105.db2.gz XDQJPZFOCZTIBJ-UHFFFAOYSA-N -1 0 332.429 3.113 20 30 EGEDRM C=CCn1c(-c2ccccc2OC)n[n-]c1=Nc1cccc(OC)c1 ZINC000581971844 459285027 /nfs/dbraw/zinc/28/50/27/459285027.db2.gz MFAVJJBOWHYHDB-UHFFFAOYSA-N -1 0 336.395 3.314 20 30 EGEDRM CC(C)c1ccc2c(c1)[C@H](NS(=O)(=O)c1ccc(C#N)o1)CC2 ZINC000561526872 459460712 /nfs/dbraw/zinc/46/07/12/459460712.db2.gz AYOVYDVCIZEYIJ-MRXNPFEDSA-N -1 0 330.409 3.240 20 30 EGEDRM C[S@@](=O)Cc1cccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)c1 ZINC000592399096 459592534 /nfs/dbraw/zinc/59/25/34/459592534.db2.gz MMGOOGYXWQMNBS-QKFKETGDSA-N -1 0 344.461 3.389 20 30 EGEDRM C=C(C)Cn1c(Cc2ccccc2F)n[n-]c1=Nc1c(C)n[nH]c1C ZINC000572900277 459593742 /nfs/dbraw/zinc/59/37/42/459593742.db2.gz FRFUBEZSRIIIFT-UHFFFAOYSA-N -1 0 340.406 3.090 20 30 EGEDRM C=CCC[C@@H](NC(=O)/C=C/c1ccc(OC(C)C)c(OC)c1)C(=O)[O-] ZINC000493201073 459736329 /nfs/dbraw/zinc/73/63/29/459736329.db2.gz PDKDYSYWEBRSHP-SLZMIMFISA-N -1 0 347.411 3.031 20 30 EGEDRM C=C(C)[C@H]1OCC[C@H]1C(=O)N=c1nc(-c2ccccc2Cl)[n-]s1 ZINC000574109070 459779297 /nfs/dbraw/zinc/77/92/97/459779297.db2.gz DZQSEONSRDNJFT-DGCLKSJQSA-N -1 0 349.843 3.200 20 30 EGEDRM C=C(C)COc1cccc(NC(=O)N2CC[C@@H](C)C[C@H]2C(=O)[O-])c1 ZINC000574389120 459812581 /nfs/dbraw/zinc/81/25/81/459812581.db2.gz VCQQCMXIFOIWQZ-CJNGLKHVSA-N -1 0 332.400 3.359 20 30 EGEDRM CCC(C#N)(CC)C(=O)[N-]S(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000528985817 459819392 /nfs/dbraw/zinc/81/93/92/459819392.db2.gz XQBRPQAOXWMRCH-UHFFFAOYSA-N -1 0 336.457 3.020 20 30 EGEDRM CC(=O)Nc1cc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)ccn1 ZINC000529007952 459820915 /nfs/dbraw/zinc/82/09/15/459820915.db2.gz HKURPIJKZVZXGE-GFCCVEGCSA-N -1 0 342.424 3.284 20 30 EGEDRM CC(C)c1c(C([O-])=C(C#N)c2ccncn2)cnn1-c1ccccc1 ZINC000545447006 459832670 /nfs/dbraw/zinc/83/26/70/459832670.db2.gz HRDALXWOCOXOOM-HNNXBMFYSA-N -1 0 331.379 3.276 20 30 EGEDRM N#CC1(CC(=O)N=c2nc(Cc3ccccc3)[n-]s2)CCCCC1 ZINC000597171654 459861628 /nfs/dbraw/zinc/86/16/28/459861628.db2.gz YZAYJCREWQSVAX-UHFFFAOYSA-N -1 0 340.452 3.353 20 30 EGEDRM N#CCc1cccc(C(=O)N2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)c1 ZINC000598661604 459982794 /nfs/dbraw/zinc/98/27/94/459982794.db2.gz JQFMCONXDDRDMW-ROUUACIJSA-N -1 0 334.375 3.183 20 30 EGEDRM Cc1[n-][nH]c(=NC(=O)[C@H](CC(C)C)c2ccc(Cl)cc2)c1C#N ZINC000598702537 459999695 /nfs/dbraw/zinc/99/96/95/459999695.db2.gz ZYYFKPIWIGWHRV-CQSZACIVSA-N -1 0 330.819 3.434 20 30 EGEDRM CCc1cccc(CC)c1S(=O)(=O)[N-]c1cc(C#N)ccc1OC ZINC000609876281 460033194 /nfs/dbraw/zinc/03/31/94/460033194.db2.gz LFPLSBJYDJQYGK-UHFFFAOYSA-N -1 0 344.436 3.492 20 30 EGEDRM C=CCOc1cccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c1 ZINC000607614462 460874854 /nfs/dbraw/zinc/87/48/54/460874854.db2.gz PTSASAQKNLQVNW-UHFFFAOYSA-N -1 0 343.326 3.470 20 30 EGEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)C1(c2ccc(F)cc2)CCCC1 ZINC000601735426 460886424 /nfs/dbraw/zinc/88/64/24/460886424.db2.gz DDAZNYGROHXDSV-UHFFFAOYSA-N -1 0 338.386 3.170 20 30 EGEDRM C[C@H]1CCc2[n-]n(-c3cc(C#N)ccc3Br)c(=O)c2C1 ZINC000601947112 460957059 /nfs/dbraw/zinc/95/70/59/460957059.db2.gz JFFDQRULVUGUBA-GXSJLCMTSA-N -1 0 332.201 3.460 20 30 EGEDRM C[C@H]1CCc2[n-]n(-c3cc(C#N)ccc3Br)c(=O)c2C1 ZINC000601947118 460957529 /nfs/dbraw/zinc/95/75/29/460957529.db2.gz JFFDQRULVUGUBA-ONGXEEELSA-N -1 0 332.201 3.460 20 30 EGEDRM C=CCOC[C@@H](NC(=O)C1(c2ccccc2)CCCCCC1)C(=O)[O-] ZINC000630186591 461054376 /nfs/dbraw/zinc/05/43/76/461054376.db2.gz VYZAXESSDHLXTM-QGZVFWFLSA-N -1 0 345.439 3.051 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)[C@H](C)Sc1ccccc1Cl)C(=O)[O-] ZINC000630319238 461094130 /nfs/dbraw/zinc/09/41/30/461094130.db2.gz WISXTHQCSGOHAB-CMPLNLGQSA-N -1 0 327.833 3.356 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)c1ccc(NC(=O)CC(C)C)c(C)c1)C(=O)[O-] ZINC000630327009 461095968 /nfs/dbraw/zinc/09/59/68/461095968.db2.gz UXWUQPMVLIMZFD-MRXNPFEDSA-N -1 0 346.427 3.129 20 30 EGEDRM C=CC[C@@H]1CCCN(C(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)C1 ZINC000659170461 461199507 /nfs/dbraw/zinc/19/95/07/461199507.db2.gz WVSZUXYHCDPQOL-OAHLLOKOSA-N -1 0 331.412 3.195 20 30 EGEDRM C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC000655890763 461522466 /nfs/dbraw/zinc/52/24/66/461522466.db2.gz QFFSJOJEHDWJEA-GFCCVEGCSA-N -1 0 344.864 3.456 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)CCCc2ccccc2)cc1 ZINC000048503360 526679189 /nfs/dbraw/zinc/67/91/89/526679189.db2.gz BSJUQVSWDYFMNI-UHFFFAOYSA-N -1 0 328.393 3.226 20 30 EGEDRM CCCNc1ccc(C#N)cc1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356819549 535194293 /nfs/dbraw/zinc/19/42/93/535194293.db2.gz IGYWRNRAZGYLPH-UHFFFAOYSA-N -1 0 340.339 3.246 20 30 EGEDRM O=C(c1c([O-])cccc1F)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000681235625 549970946 /nfs/dbraw/zinc/97/09/46/549970946.db2.gz YKEOUKHESFBMQR-RNFRBKRXSA-N -1 0 345.214 3.344 20 30 EGEDRM Cn1cc(C([O-])=C(C#N)c2nc3ccccc3o2)c(-c2ccncc2)n1 ZINC000681352998 549985671 /nfs/dbraw/zinc/98/56/71/549985671.db2.gz FKLCSDCWLDRIQL-ZDUSSCGKSA-N -1 0 343.346 3.113 20 30 EGEDRM Cc1nn2cccnc2c1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1 ZINC000684675999 550354348 /nfs/dbraw/zinc/35/43/48/550354348.db2.gz RNRKKBASUTUJRG-LLVKDONJSA-N -1 0 339.424 3.282 20 30 EGEDRM COc1ccc([C@H](CC(=O)[O-])/N=C/c2cccc(OC)c2O)cc1 ZINC000737951632 574520926 /nfs/dbraw/zinc/52/09/26/574520926.db2.gz WXUGRJQUWVDMDU-BKQORJHRSA-N -1 0 329.352 3.044 20 30 EGEDRM Cc1ccc(N(CCC#N)C(=O)[C@@H](C)S[C@H](C)CC(=O)[O-])cc1 ZINC000738281233 574561240 /nfs/dbraw/zinc/56/12/40/574561240.db2.gz XARGQXUKNBVODY-ZIAGYGMSSA-N -1 0 334.441 3.227 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2csc(C(C)C)n2)n1 ZINC000726688103 574566149 /nfs/dbraw/zinc/56/61/49/574566149.db2.gz OZWZBUXRVHALBZ-JTQLQIEISA-N -1 0 349.437 3.065 20 30 EGEDRM COc1ccc(Cl)cc1C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000738017213 574899419 /nfs/dbraw/zinc/89/94/19/574899419.db2.gz VHUCPUVLXNBINN-HNNXBMFYSA-N -1 0 345.738 3.203 20 30 EGEDRM CCOc1ccc(C=Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)c(O)c1 ZINC000730549713 575000170 /nfs/dbraw/zinc/00/01/70/575000170.db2.gz IVJBMPYPDHSWOI-LLVKDONJSA-N -1 0 326.352 3.261 20 30 EGEDRM COc1cc(/C=C\C(=O)c2ccc(C(=O)[O-])s2)ccc1OCC#N ZINC000730589578 575003984 /nfs/dbraw/zinc/00/39/84/575003984.db2.gz KMOQIMFQMHRWST-RQOWECAXSA-N -1 0 343.360 3.253 20 30 EGEDRM O=C([O-])COc1cccc(/C=C2/COc3c(F)cc(F)cc3C2=O)c1 ZINC000733207143 575320702 /nfs/dbraw/zinc/32/07/02/575320702.db2.gz VOOVSLKFXSBSBS-WCIBSUBMSA-N -1 0 346.285 3.087 20 30 EGEDRM C=CCN(Cc1ccc(Cl)s1)C(=O)CCSCC(=O)[O-] ZINC000736108474 575896992 /nfs/dbraw/zinc/89/69/92/575896992.db2.gz HJBFSMZUXQDYOH-UHFFFAOYSA-N -1 0 333.862 3.124 20 30 EGEDRM C=CCN(CC=C)CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC000736108594 575897497 /nfs/dbraw/zinc/89/74/97/575897497.db2.gz IPPQGLRJCMFLTI-UHFFFAOYSA-N -1 0 343.210 3.304 20 30 EGEDRM C#CCOc1ccc(NC(=O)Nc2cccc(NC(=O)[O-])c2)cc1 ZINC000736089201 575898142 /nfs/dbraw/zinc/89/81/42/575898142.db2.gz HQYLHERPSICVHD-UHFFFAOYSA-N -1 0 325.324 3.433 20 30 EGEDRM C=CCOc1ccc(C(=O)Oc2cccc(CC(=O)[O-])c2)cc1OC ZINC000736113775 575900232 /nfs/dbraw/zinc/90/02/32/575900232.db2.gz FQMVMJBVUXVOTI-UHFFFAOYSA-N -1 0 342.347 3.106 20 30 EGEDRM C=CCOc1ccc(C(=O)Oc2ccc(C)cc2C(=O)[O-])cc1OC ZINC000736113750 575900380 /nfs/dbraw/zinc/90/03/80/575900380.db2.gz DAUNZZZUPHEVQS-UHFFFAOYSA-N -1 0 342.347 3.486 20 30 EGEDRM C=CCOc1ccccc1C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736114262 575900761 /nfs/dbraw/zinc/90/07/61/575900761.db2.gz QVXBAZYOFBRKMS-QGZVFWFLSA-N -1 0 337.331 3.106 20 30 EGEDRM CC(C)[C@H](OC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)C(=O)[O-] ZINC000736391995 575948966 /nfs/dbraw/zinc/94/89/66/575948966.db2.gz WFWSVPUUDOGINE-INIZCTEOSA-N -1 0 340.335 3.012 20 30 EGEDRM C[C@H]1CCc2c(C#N)c(NC(=O)CCCN(C)C(=O)[O-])sc2C1 ZINC000736803062 576034776 /nfs/dbraw/zinc/03/47/76/576034776.db2.gz SDQPKGWFQQUTHH-JTQLQIEISA-N -1 0 335.429 3.073 20 30 EGEDRM CC[C@](NC(=O)/C=C\c1ccccc1C#N)(C(=O)[O-])c1ccccc1 ZINC000736908345 576057157 /nfs/dbraw/zinc/05/71/57/576057157.db2.gz WPGZYZJGXIYRBM-GHYICZDASA-N -1 0 334.375 3.078 20 30 EGEDRM CCCOc1cccc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000737034390 576085733 /nfs/dbraw/zinc/08/57/33/576085733.db2.gz IWVSTXJUBJKPCC-KRWDZBQOSA-N -1 0 339.347 3.330 20 30 EGEDRM CCCc1c(C(=O)OCc2ccc(F)cc2C#N)[nH]c(C)c1C(=O)[O-] ZINC000737042928 576088262 /nfs/dbraw/zinc/08/82/62/576088262.db2.gz FQUJOGLFGFTVSX-UHFFFAOYSA-N -1 0 344.342 3.342 20 30 EGEDRM COc1ccc([C@@H](CC(=O)[O-])/N=C/c2ccccc2O)cc1OC ZINC000737945982 576275352 /nfs/dbraw/zinc/27/53/52/576275352.db2.gz FPLPYYGTOKERNU-HIPSJFSSSA-N -1 0 329.352 3.044 20 30 EGEDRM Cc1[nH]c(C(=O)COc2c(C)cc(C#N)cc2C)c(C)c1C(=O)[O-] ZINC000738200824 576299129 /nfs/dbraw/zinc/29/91/29/576299129.db2.gz HHTIXURFFQYCJQ-UHFFFAOYSA-N -1 0 326.352 3.080 20 30 EGEDRM CSc1ccccc1C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000738214625 576300717 /nfs/dbraw/zinc/30/07/17/576300717.db2.gz OQWNGNTZAZDHOJ-HNNXBMFYSA-N -1 0 327.361 3.263 20 30 EGEDRM Cc1c(C(=O)/C=C/c2ccc(C(=O)[O-])o2)cnn1-c1ccc(C#N)cc1 ZINC000738253844 576306636 /nfs/dbraw/zinc/30/66/36/576306636.db2.gz QKZFSESJIWMPID-SOFGYWHQSA-N -1 0 347.330 3.240 20 30 EGEDRM N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)OCC(=O)[O-])c1 ZINC000738424892 576323899 /nfs/dbraw/zinc/32/38/99/576323899.db2.gz FWWGEGMYLMWXNO-UHFFFAOYSA-N -1 0 331.711 3.245 20 30 EGEDRM N#Cc1ccc(Nc2cccc(C(=O)N3CCCC[C@H]3C(=O)[O-])c2)cc1 ZINC000738430915 576325188 /nfs/dbraw/zinc/32/51/88/576325188.db2.gz LTNVWEJSQLMYJO-SFHVURJKSA-N -1 0 349.390 3.381 20 30 EGEDRM N#Cc1ccc(NC(=S)N2CCC(CC(=O)[O-])CC2)cc1Cl ZINC000738431606 576325288 /nfs/dbraw/zinc/32/52/88/576325288.db2.gz YJMUKRSLYLRPJK-UHFFFAOYSA-N -1 0 337.832 3.095 20 30 EGEDRM N#Cc1ccc(CNC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c(F)c1 ZINC000738432513 576325534 /nfs/dbraw/zinc/32/55/34/576325534.db2.gz MLOBMKDCQLTSTP-UHFFFAOYSA-N -1 0 347.733 3.371 20 30 EGEDRM N#Cc1ccccc1-c1ccccc1C(=O)NCC1(C(=O)[O-])CCC1 ZINC000738434182 576325723 /nfs/dbraw/zinc/32/57/23/576325723.db2.gz VZQCFTSPIZQBIC-UHFFFAOYSA-N -1 0 334.375 3.210 20 30 EGEDRM N#CCOc1ccccc1C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000739093124 576377564 /nfs/dbraw/zinc/37/75/64/576377564.db2.gz ZRJGCCZOOGCAPS-UHFFFAOYSA-N -1 0 330.727 3.193 20 30 EGEDRM N#Cc1ccc(-c2ccn(CN3Cc4ccc(C(=O)[O-])cc4C3)n2)cc1 ZINC000739102068 576377990 /nfs/dbraw/zinc/37/79/90/576377990.db2.gz PTPVXQCIDCFPRH-UHFFFAOYSA-N -1 0 344.374 3.093 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)cc1 ZINC000739102203 576378038 /nfs/dbraw/zinc/37/80/38/576378038.db2.gz SSCVGOGKDOSUAM-UHFFFAOYSA-N -1 0 332.262 3.110 20 30 EGEDRM N#Cc1ccc([C@@H](NCc2coc(-c3cccs3)n2)C(=O)[O-])cc1 ZINC000739107130 576378330 /nfs/dbraw/zinc/37/83/30/576378330.db2.gz PMPJAIGHJRJYKL-OAHLLOKOSA-N -1 0 339.376 3.190 20 30 EGEDRM N#Cc1ccc([C@@H](OC(=O)c2nccc3ccccc32)C(=O)[O-])cc1 ZINC000739116682 576378866 /nfs/dbraw/zinc/37/88/66/576378866.db2.gz CGYMRVVWODEXHZ-QGZVFWFLSA-N -1 0 332.315 3.089 20 30 EGEDRM N#Cc1ccc(CCC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)cc1 ZINC000739118534 576378947 /nfs/dbraw/zinc/37/89/47/576378947.db2.gz STWJMKBBVUQXPP-UHFFFAOYSA-N -1 0 328.755 3.481 20 30 EGEDRM N#Cc1ccc(Oc2cccc(NC(=O)CCCNC(=O)[O-])c2)cc1 ZINC000739129694 576379189 /nfs/dbraw/zinc/37/91/89/576379189.db2.gz AIPCCHNPSJSCDZ-UHFFFAOYSA-N -1 0 339.351 3.337 20 30 EGEDRM N#Cc1ccc(OCCCOc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1 ZINC000739129008 576379219 /nfs/dbraw/zinc/37/92/19/576379219.db2.gz OHYQYWFZRSXDSF-UHFFFAOYSA-N -1 0 342.307 3.013 20 30 EGEDRM COc1cccc(O)c1/C=N/Cc1cccc(NC(=O)N(C)C)c1 ZINC000741463547 576688327 /nfs/dbraw/zinc/68/83/27/576688327.db2.gz GPLNSGCHNLVHQQ-XDHOZWIPSA-N -1 0 327.384 3.113 20 30 EGEDRM C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1cc(C)ccc1C ZINC000741659063 576709282 /nfs/dbraw/zinc/70/92/82/576709282.db2.gz CQTOPRNOHVCQLB-UHFFFAOYSA-N -1 0 333.384 3.255 20 30 EGEDRM Cc1cccc2oc(CC/N=C/c3cc([N+](=O)[O-])ccc3[O-])nc21 ZINC000743045718 576800647 /nfs/dbraw/zinc/80/06/47/576800647.db2.gz VJAURPUYMGCBJP-VCHYOVAHSA-N -1 0 325.324 3.412 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccc(OC3CCCC3)cc2)nc1 ZINC000743047277 576800722 /nfs/dbraw/zinc/80/07/22/576800722.db2.gz GXKSZFWMFFBKCW-UHFFFAOYSA-N -1 0 343.408 3.075 20 30 EGEDRM CCCCCCCCOCC(=O)[N-]S(=O)(=O)C1CCCCC1 ZINC000744079726 576820022 /nfs/dbraw/zinc/82/00/22/576820022.db2.gz OBLPPAGMIBYHLJ-UHFFFAOYSA-N -1 0 333.494 3.142 20 30 EGEDRM CN(CCC(=O)[O-])C(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000818447803 597006722 /nfs/dbraw/zinc/00/67/22/597006722.db2.gz LUKUGOXOWAHFET-UHFFFAOYSA-N -1 0 340.404 3.256 20 30 EGEDRM C=CCN(CCc1ccco1)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000819713444 598212314 /nfs/dbraw/zinc/21/23/14/598212314.db2.gz NLCHKGJVZOFEEU-UHFFFAOYSA-N -1 0 328.368 3.169 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000819857042 598223168 /nfs/dbraw/zinc/22/31/68/598223168.db2.gz QVUVPXVVWWBPIH-QGZVFWFLSA-N -1 0 344.367 3.061 20 30 EGEDRM CC(C)Cn1ccc2cc(NC(=O)[C@](C)(C#N)CC(=O)[O-])ccc21 ZINC000819992879 598225548 /nfs/dbraw/zinc/22/55/48/598225548.db2.gz IGLJJILYYLXPQO-SFHVURJKSA-N -1 0 327.384 3.240 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccccc1CCC(F)(F)F ZINC000819856280 598229983 /nfs/dbraw/zinc/22/99/83/598229983.db2.gz IGABZPKKSSCPNH-CQSZACIVSA-N -1 0 328.290 3.125 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NCCc1cccc(-c2ccccc2)c1 ZINC000819842440 598230388 /nfs/dbraw/zinc/23/03/88/598230388.db2.gz PZHJSOPBGZLBKY-FQEVSTJZSA-N -1 0 336.391 3.017 20 30 EGEDRM N#Cc1ccc(SCC(=O)OCc2cccc(C(=O)[O-])c2)cc1 ZINC000739133085 600003155 /nfs/dbraw/zinc/00/31/55/600003155.db2.gz ZQNLFDXOORDOOH-UHFFFAOYSA-N -1 0 327.361 3.092 20 30 EGEDRM C=CCOCCCC(=O)Oc1ccc(Br)cc1C(=O)[O-] ZINC000825699109 600944435 /nfs/dbraw/zinc/94/44/35/600944435.db2.gz RSBOSOAQHOFAPC-UHFFFAOYSA-N -1 0 343.173 3.036 20 30 EGEDRM C=CCOc1ccc(C(=O)Oc2ccccc2CC(=O)[O-])cc1OC ZINC000825698293 600959888 /nfs/dbraw/zinc/95/98/88/600959888.db2.gz BPPYHWLCSUJDGI-UHFFFAOYSA-N -1 0 342.347 3.106 20 30 EGEDRM C=CCOc1cccc(NC(=O)NC[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000825702244 601028221 /nfs/dbraw/zinc/02/82/21/601028221.db2.gz FYNSUGATISDVRY-QGZVFWFLSA-N -1 0 340.379 3.241 20 30 EGEDRM Cc1ccc(C)c(NC(=O)[C@@H](C)ON=Cc2ccc(C(=O)[O-])cc2)c1 ZINC000832926387 601220831 /nfs/dbraw/zinc/22/08/31/601220831.db2.gz OXMDFEVNXMWUBB-CQSZACIVSA-N -1 0 340.379 3.379 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2cccc(CSCC(=O)[O-])c2)s1 ZINC000833071281 601283182 /nfs/dbraw/zinc/28/31/82/601283182.db2.gz FDBVRUFNFJDEAP-UHFFFAOYSA-N -1 0 332.406 3.190 20 30 EGEDRM CCOc1cc(N[C@H](C(=O)[O-])c2cccc(C#N)c2)ccc1OC ZINC000830050000 601301714 /nfs/dbraw/zinc/30/17/14/601301714.db2.gz UWVZGYQDJNKTCS-KRWDZBQOSA-N -1 0 326.352 3.203 20 30 EGEDRM N#Cc1cccc([C@H](OC(=O)c2ccc3ncccc3c2)C(=O)[O-])c1 ZINC000833075509 601351262 /nfs/dbraw/zinc/35/12/62/601351262.db2.gz BXSZRVNABHXUID-KRWDZBQOSA-N -1 0 332.315 3.089 20 30 EGEDRM CCSc1ccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cn1 ZINC000830169017 601351971 /nfs/dbraw/zinc/35/19/71/601351971.db2.gz LHABXFLMDDGXJA-OAHLLOKOSA-N -1 0 342.376 3.048 20 30 EGEDRM C=CCOc1ccc(C(F)(F)F)cc1C(=O)OC/C=C(\C)C(=O)[O-] ZINC000825699076 601427059 /nfs/dbraw/zinc/42/70/59/601427059.db2.gz REUKKIAKYNSEFY-UXBLZVDNSA-N -1 0 344.285 3.458 20 30 EGEDRM N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(C(=O)[O-])cc1 ZINC000821320340 601427378 /nfs/dbraw/zinc/42/73/78/601427378.db2.gz LUHXFXNPEARVQS-ZWKOTPCHSA-N -1 0 334.375 3.297 20 30 EGEDRM N#Cc1ccccc1/C=C/C(=O)N[C@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000833075169 601586830 /nfs/dbraw/zinc/58/68/30/601586830.db2.gz NAELLOYFPPHRJT-JEJOPICUSA-N -1 0 340.766 3.167 20 30 EGEDRM CCc1oc(C(=O)[O-])cc1COC(=O)c1c(F)cc(C#N)cc1F ZINC000830389664 601607379 /nfs/dbraw/zinc/60/73/79/601607379.db2.gz QJRYCPDZFRYSST-UHFFFAOYSA-N -1 0 335.262 3.047 20 30 EGEDRM Cc1cc(C(=O)Nc2ccc(F)cc2C#N)cc(C)c1OCC(=O)[O-] ZINC000832864981 601662993 /nfs/dbraw/zinc/66/29/93/601662993.db2.gz KERUALFKBQWOBU-UHFFFAOYSA-N -1 0 342.326 3.030 20 30 EGEDRM Cc1cc(C#N)ccc1Oc1ccc(C(=O)NC(C)(C)C(=O)[O-])cc1 ZINC000832858831 601664893 /nfs/dbraw/zinc/66/48/93/601664893.db2.gz HNJWJLYCQPRIQO-UHFFFAOYSA-N -1 0 338.363 3.252 20 30 EGEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)NCC1(C(=O)[O-])CCCC1 ZINC000827038804 601700425 /nfs/dbraw/zinc/70/04/25/601700425.db2.gz UUBJRCGUVIBLFQ-UHFFFAOYSA-N -1 0 345.399 3.112 20 30 EGEDRM Cc1sc(C(=O)[O-])cc1COC(=O)[C@H](C)Oc1ccccc1C#N ZINC000833030933 601721983 /nfs/dbraw/zinc/72/19/83/601721983.db2.gz COOUHARBCWECAO-JTQLQIEISA-N -1 0 345.376 3.137 20 30 EGEDRM C[C@H]1CN(C(=O)Nc2ccccc2C#Cc2ccccc2)C[C@H]1C(=O)[O-] ZINC000828378147 601796291 /nfs/dbraw/zinc/79/62/91/601796291.db2.gz OSTWEJWLKHSWTM-MAUKXSAKSA-N -1 0 348.402 3.271 20 30 EGEDRM Cc1cc(OCC(=O)[O-])ccc1NCCCOc1cccc(C#N)c1 ZINC000832902194 601961721 /nfs/dbraw/zinc/96/17/21/601961721.db2.gz GGXNGSAPNFVMPM-UHFFFAOYSA-N -1 0 340.379 3.211 20 30 EGEDRM N#CCc1ccc(NC(=O)N[C@@H]2CCCCCC[C@@H]2C(=O)[O-])cc1 ZINC000833069214 602028778 /nfs/dbraw/zinc/02/87/78/602028778.db2.gz PSIQQQKDZURYOU-JKSUJKDBSA-N -1 0 329.400 3.298 20 30 EGEDRM C[C@H](Oc1ccc(C=NNc2cc(F)c(F)cc2F)cc1)C(=O)[O-] ZINC000794908964 602074930 /nfs/dbraw/zinc/07/49/30/602074930.db2.gz OXJMEOUHKWVVHD-VIFPVBQESA-N -1 0 338.285 3.402 20 30 EGEDRM C[C@@H](Oc1ccc(/C=C\C(=O)c2ccc3c(c2)COC3)cc1)C(=O)[O-] ZINC000794698778 602111704 /nfs/dbraw/zinc/11/17/04/602111704.db2.gz BUICLWDQJFCTHX-VVOKDJNJSA-N -1 0 338.359 3.465 20 30 EGEDRM Cc1ccc(NCc2nnc(-c3ccc(C#N)cc3)o2)cc1C(=O)[O-] ZINC000832952324 602128794 /nfs/dbraw/zinc/12/87/94/602128794.db2.gz XRQHRTPULUNRAB-UHFFFAOYSA-N -1 0 334.335 3.227 20 30 EGEDRM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000826723879 602187996 /nfs/dbraw/zinc/18/79/96/602187996.db2.gz ZIGDEAQWPNXBPO-OAHLLOKOSA-N -1 0 344.392 3.360 20 30 EGEDRM C[C@H](CN(Cc1ccccc1)c1ccc([N+](=O)[O-])cc1C#N)C(=O)[O-] ZINC000827454559 602237402 /nfs/dbraw/zinc/23/74/02/602237402.db2.gz CLNJUDOJPZZAKC-CYBMUJFWSA-N -1 0 339.351 3.194 20 30 EGEDRM N#Cc1cc(CN(CCC(=O)[O-])Cc2cccc(F)c2F)ccc1F ZINC000833068898 602238844 /nfs/dbraw/zinc/23/88/44/602238844.db2.gz PIXDWYJGDOHLEK-UHFFFAOYSA-N -1 0 348.324 3.452 20 30 EGEDRM C[C@@H](OC1CCCCCC1)C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000827873196 602264691 /nfs/dbraw/zinc/26/46/91/602264691.db2.gz DXCYPOOKRDWIBW-CXAGYDPISA-N -1 0 345.395 3.355 20 30 EGEDRM CC[C@H](OC1CCCCC1)C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000829009712 602271337 /nfs/dbraw/zinc/27/13/37/602271337.db2.gz MLZDKCHNPUFVTE-IRXDYDNUSA-N -1 0 345.395 3.355 20 30 EGEDRM N#C[C@H](NC(=O)c1ccc(C(=O)[O-])c(F)c1)c1ccc(Cl)cc1 ZINC000833064978 604310578 /nfs/dbraw/zinc/31/05/78/604310578.db2.gz POIFZIUZNMXMTC-AWEZNQCLSA-N -1 0 332.718 3.172 20 30 EGEDRM C=CCN(Cc1cccs1)Cc1c(C)nn(CCC(=O)[O-])c1C ZINC000833376524 604522263 /nfs/dbraw/zinc/52/22/63/604522263.db2.gz ZBCLBFIPDHGIDA-UHFFFAOYSA-N -1 0 333.457 3.224 20 30 EGEDRM C=C(C)[C@H](CC(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1)OCC ZINC000833367304 604562914 /nfs/dbraw/zinc/56/29/14/604562914.db2.gz KHFXYOILAJXNPS-JTQLQIEISA-N -1 0 340.445 3.449 20 30 EGEDRM C#Cc1cccc(N=C2NN=C(c3cccc(C(=O)[O-])c3)CS2)c1 ZINC000833367263 604741926 /nfs/dbraw/zinc/74/19/26/604741926.db2.gz JURHRYBYTBKKOU-UHFFFAOYSA-N -1 0 335.388 3.094 20 30 EGEDRM C#CCOc1ccc(F)cc1NCc1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC000833367439 604774502 /nfs/dbraw/zinc/77/45/02/604774502.db2.gz YBJSGLMXUSNWJY-CYBMUJFWSA-N -1 0 343.354 3.302 20 30 EGEDRM CC(=NNc1ccccc1C(=O)[O-])c1cnn(-c2ccccn2)c1C ZINC000748244122 605099759 /nfs/dbraw/zinc/09/97/59/605099759.db2.gz JIEKUTINVLPWEU-UHFFFAOYSA-N -1 0 335.367 3.110 20 30 EGEDRM C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(NC(=O)[O-])c(F)c1 ZINC000833541961 605275472 /nfs/dbraw/zinc/27/54/72/605275472.db2.gz XUOYLLRBQWUHRU-SNVBAGLBSA-N -1 0 343.314 3.193 20 30 EGEDRM C=CCCOCC(=O)O[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000833374898 605713126 /nfs/dbraw/zinc/71/31/26/605713126.db2.gz MPWVWMKZSLQACO-CYBMUJFWSA-N -1 0 333.167 3.255 20 30 EGEDRM Cc1cc(CN=Nc2oc(C(C)C)nc2-c2nnn[n-]2)ccc1Cl ZINC000826266507 609518176 /nfs/dbraw/zinc/51/81/76/609518176.db2.gz QOQVMLORULVOHK-UHFFFAOYSA-N -1 0 345.794 3.386 20 30 EGEDRM CCOc1cccc(F)c1C=Nn1c(=S)[n-]nc1C(F)(F)F ZINC000872329647 1296915618 /nfs/dbraw/zinc/91/56/18/1296915618.db2.gz RTIUUVJDPAVREX-UHFFFAOYSA-N -1 0 334.298 3.006 20 30 EGEDRM COc1cc(/C=C/C(=O)c2ccccc2F)ccc1OCC(=O)[O-] ZINC000007741310 1291087526 /nfs/dbraw/zinc/08/75/26/1291087526.db2.gz VZSGPYJZPVJGBM-SOFGYWHQSA-N -1 0 330.311 3.194 20 30 EGEDRM CCCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000046927681 1291556962 /nfs/dbraw/zinc/55/69/62/1291556962.db2.gz VFCGMRVYBTVMSZ-NSHDSACASA-N -1 0 328.390 3.456 20 30 EGEDRM COCc1ccccc1C(=O)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000048461393 1291605331 /nfs/dbraw/zinc/60/53/31/1291605331.db2.gz QZVCKFRTCCETJJ-UHFFFAOYSA-N -1 0 345.829 3.241 20 30 EGEDRM COc1ccc(CC(=O)[N-]S(=O)(=O)c2ccccc2Cl)cc1 ZINC000048576018 1291611553 /nfs/dbraw/zinc/61/15/53/1291611553.db2.gz XKQLGOJFEWATQL-UHFFFAOYSA-N -1 0 339.800 3.237 20 30 EGEDRM Cc1ccc(CC(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1 ZINC000048612469 1291613086 /nfs/dbraw/zinc/61/30/86/1291613086.db2.gz VHQGNNUBXTVODZ-UHFFFAOYSA-N -1 0 329.421 3.372 20 30 EGEDRM Cc1cc(C)cc(C(=O)[N-]S(=O)(=O)Cc2ccc(Cl)nc2)c1 ZINC000058151026 1291881511 /nfs/dbraw/zinc/88/15/11/1291881511.db2.gz VNOWVPDBXBQHRT-UHFFFAOYSA-N -1 0 338.816 3.186 20 30 EGEDRM Cc1nn(C)c(C)c1[C@H](C)C(=O)[N-]S(=O)(=O)c1cc(C)ccc1C ZINC000060765566 1291940873 /nfs/dbraw/zinc/94/08/73/1291940873.db2.gz ILTPVMNCAGGNQK-LBPRGKRZSA-N -1 0 349.456 3.103 20 30 EGEDRM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000065643250 1292084288 /nfs/dbraw/zinc/08/42/88/1292084288.db2.gz MIZWZKGSEICWEG-UHFFFAOYSA-N -1 0 348.380 3.214 20 30 EGEDRM CC(C)CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000069282949 1292237891 /nfs/dbraw/zinc/23/78/91/1292237891.db2.gz DVHULCWYVFASSB-LLVKDONJSA-N -1 0 333.837 3.436 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)OCCC(C)C)cc1C ZINC000069282714 1292238030 /nfs/dbraw/zinc/23/80/30/1292238030.db2.gz CWNZHNWOXOIILV-CQSZACIVSA-N -1 0 327.446 3.400 20 30 EGEDRM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)[C@@H]2COc3ccccc32)c1 ZINC000073086891 1292305512 /nfs/dbraw/zinc/30/55/12/1292305512.db2.gz CCMIUTCVTKGXJK-CQSZACIVSA-N -1 0 331.393 3.125 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)C2CC=CC2)c(Br)c1 ZINC000075040584 1292380507 /nfs/dbraw/zinc/38/05/07/1292380507.db2.gz NAZRRKPBCCRVQO-UHFFFAOYSA-N -1 0 344.230 3.369 20 30 EGEDRM C[C@@H]1CC[C@H](CCC(=O)[N-]S(=O)(=O)c2ccc(Cl)s2)O1 ZINC000076757329 1292440184 /nfs/dbraw/zinc/44/01/84/1292440184.db2.gz SLDLESKDRXHAOS-RKDXNWHRSA-N -1 0 337.850 3.394 20 30 EGEDRM C[C@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000076756238 1292440408 /nfs/dbraw/zinc/44/04/08/1292440408.db2.gz AXDSBHAFHYJOEY-QWRGUYRKSA-N -1 0 326.374 3.066 20 30 EGEDRM O=C(Cc1cc(F)ccc1F)[N-]S(=O)(=O)C=Cc1ccccc1 ZINC000076760789 1292441654 /nfs/dbraw/zinc/44/16/54/1292441654.db2.gz SMOGJOLANOSYRQ-CMDGGOBGSA-N -1 0 337.347 3.465 20 30 EGEDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)C1=Cc2ccccc2OC1 ZINC000077942294 1292491028 /nfs/dbraw/zinc/49/10/28/1292491028.db2.gz GYSAZUAFHFLXJY-UHFFFAOYSA-N -1 0 329.377 3.116 20 30 EGEDRM N#Cc1ccc(F)c(CNC(=O)c2ccc3[n-]c(=S)oc3c2)c1 ZINC000081466761 1292660245 /nfs/dbraw/zinc/66/02/45/1292660245.db2.gz HUQXNXYAWQITQK-UHFFFAOYSA-N -1 0 327.340 3.431 20 30 EGEDRM CC[C@@H](Oc1cccc(C)c1)C(=O)[N-]S(=O)(=O)C1CCCC1 ZINC000086054436 1292727065 /nfs/dbraw/zinc/72/70/65/1292727065.db2.gz ISYTZZGTCUIVIE-OAHLLOKOSA-N -1 0 325.430 3.381 20 30 EGEDRM Cc1ccc(-c2nc(C(=O)[N-]S(=O)(=O)C3CCCC3)cs2)o1 ZINC000086055328 1292727084 /nfs/dbraw/zinc/72/70/84/1292727084.db2.gz HBBMWOPMIBQXSA-UHFFFAOYSA-N -1 0 340.426 3.289 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)C=C2CCC2)cc1C(F)(F)F ZINC000088800267 1292756425 /nfs/dbraw/zinc/75/64/25/1292756425.db2.gz MXBUMFKELKNWAQ-UHFFFAOYSA-N -1 0 344.314 3.333 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2cncc(OC(C)C)c2)c(C)c1 ZINC000093242131 1292912722 /nfs/dbraw/zinc/91/27/22/1292912722.db2.gz JSDMWUDTWYEYDA-UHFFFAOYSA-N -1 0 348.424 3.179 20 30 EGEDRM COc1cc(OC)c(OC)cc1/C=C/C(=O)c1cc(O)ccc1O ZINC000095591668 1292945208 /nfs/dbraw/zinc/94/52/08/1292945208.db2.gz WZNCRHMYJUKWHS-GQCTYLIASA-N -1 0 330.336 3.020 20 30 EGEDRM C[C@@H](Oc1cccc(C=NN[C@@H]2CCc3c2cccc3F)c1)C(=O)[O-] ZINC000835020519 1293189583 /nfs/dbraw/zinc/18/95/83/1293189583.db2.gz NFUFHJNKGFDRKV-KZULUSFZSA-N -1 0 342.370 3.289 20 30 EGEDRM CCC(CC)Oc1ccc(C([O-])=C(C#N)C(=O)N2CCCC2)cc1 ZINC000835059116 1293194590 /nfs/dbraw/zinc/19/45/90/1293194590.db2.gz XYWUFAKSBRJARI-KRWDZBQOSA-N -1 0 328.412 3.199 20 30 EGEDRM CC(C)NC(=O)C(C#N)=C([O-])c1ccc([C@@H](C)C(F)(F)F)cc1 ZINC000835064163 1293196577 /nfs/dbraw/zinc/19/65/77/1293196577.db2.gz FAULPPPNOALWGI-ZWNOBZJWSA-N -1 0 326.318 3.199 20 30 EGEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1ccc(OCC2CC2)cc1 ZINC000121269496 1293362121 /nfs/dbraw/zinc/36/21/21/1293362121.db2.gz YRGPUAIBOURSBC-GOSISDBHSA-N -1 0 340.423 3.247 20 30 EGEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1coc(-c2ccccc2)n1 ZINC000121671716 1293383108 /nfs/dbraw/zinc/38/31/08/1293383108.db2.gz IVLDSGBVSCOVOK-OAHLLOKOSA-N -1 0 337.379 3.113 20 30 EGEDRM N#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccccc1Cl ZINC000122364108 1293410352 /nfs/dbraw/zinc/41/03/52/1293410352.db2.gz QHJGJYRHABWFSR-UHFFFAOYSA-N -1 0 340.763 3.182 20 30 EGEDRM COc1cc(C(=O)/C=C/c2cnc3c(C)cccn23)c(OC)cc1O ZINC000122518851 1293415866 /nfs/dbraw/zinc/41/58/66/1293415866.db2.gz ONPJRRQDEUHASL-VOTSOKGWSA-N -1 0 338.363 3.262 20 30 EGEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000123006654 1293431449 /nfs/dbraw/zinc/43/14/49/1293431449.db2.gz CHCZZZPIYIENFB-INIZCTEOSA-N -1 0 337.423 3.242 20 30 EGEDRM Cc1csc(-c2cccc(C([O-])=C(C#N)C(=O)N3CCCC3)c2)n1 ZINC000123898254 1293459848 /nfs/dbraw/zinc/45/98/48/1293459848.db2.gz QNDDSDCEDMIYLF-OAHLLOKOSA-N -1 0 339.420 3.063 20 30 EGEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1cc2c(s1)CCCCCC2 ZINC000124500269 1293477060 /nfs/dbraw/zinc/47/70/60/1293477060.db2.gz UCSPBCNMONBVIM-AWEZNQCLSA-N -1 0 330.453 3.352 20 30 EGEDRM C=CCNC(=O)C(C#N)=C([O-])c1cncc(-c2ccc(Cl)cc2)c1 ZINC000124552392 1293479279 /nfs/dbraw/zinc/47/92/79/1293479279.db2.gz YPPLUBALIFYWAP-MRXNPFEDSA-N -1 0 339.782 3.027 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(OC(F)F)cc1 ZINC000125591749 1293511841 /nfs/dbraw/zinc/51/18/41/1293511841.db2.gz DYAFGMBZUULBSJ-AWEZNQCLSA-N -1 0 338.354 3.307 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cccc(-n2cccc2)c1 ZINC000125690033 1293514237 /nfs/dbraw/zinc/51/42/37/1293514237.db2.gz VUXMLHAZRGKVEB-GOSISDBHSA-N -1 0 337.423 3.496 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cc(OC)c(C)c(OC)c1 ZINC000125678867 1293514517 /nfs/dbraw/zinc/51/45/17/1293514517.db2.gz JNXONRSUWAHQBA-OAHLLOKOSA-N -1 0 346.427 3.031 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cccc(NC(=O)CC)c1 ZINC000125714489 1293514985 /nfs/dbraw/zinc/51/49/85/1293514985.db2.gz NTHSCUMRLOUOLD-INIZCTEOSA-N -1 0 343.427 3.054 20 30 EGEDRM Cn1c(Cl)c(Cl)cc1C([O-])=C(C#N)C(=O)NC1CCCCC1 ZINC000127348737 1293560745 /nfs/dbraw/zinc/56/07/45/1293560745.db2.gz RIEFHBZYKRIZLL-JTQLQIEISA-N -1 0 342.226 3.103 20 30 EGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CCc1cnn(C)c1C ZINC000136142284 1293809671 /nfs/dbraw/zinc/80/96/71/1293809671.db2.gz QQLOPJWKMJJNKG-INIZCTEOSA-N -1 0 348.406 3.043 20 30 EGEDRM O=C(/C=C/c1c(Cl)nc2ccccn12)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000136499639 1293816459 /nfs/dbraw/zinc/81/64/59/1293816459.db2.gz SMTWIHSWKPZLBO-FNORWQNLSA-N -1 0 343.726 3.498 20 30 EGEDRM COc1cccc(/C=C/C(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1OC ZINC000136505679 1293817187 /nfs/dbraw/zinc/81/71/87/1293817187.db2.gz UIXSFZGXGFHXBN-SOFGYWHQSA-N -1 0 329.308 3.214 20 30 EGEDRM COc1cc(C([O-])=C(C#N)C(=O)NC2CCCCC2)ccc1Cl ZINC000136584109 1293818079 /nfs/dbraw/zinc/81/80/79/1293818079.db2.gz SNNUVINOKYMLBE-CYBMUJFWSA-N -1 0 334.803 3.120 20 30 EGEDRM CC(C)Cc1ccc(CCC(=O)C(C#N)=C([O-])c2nccn2C)cc1 ZINC000156230963 1294134005 /nfs/dbraw/zinc/13/40/05/1294134005.db2.gz UWAQEBHRYXHSLJ-KRWDZBQOSA-N -1 0 337.423 3.143 20 30 EGEDRM COc1ccc(/C=C/C(=O)c2ccc(F)cc2[O-])c(OC)c1OC ZINC000156719890 1294156909 /nfs/dbraw/zinc/15/69/09/1294156909.db2.gz WLMKCOMFAYJTHB-XBXARRHUSA-N -1 0 332.327 3.453 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)n2)cc1Cl ZINC000162280775 1294311582 /nfs/dbraw/zinc/31/15/82/1294311582.db2.gz SLNZZUAPFZOHIR-UHFFFAOYSA-N -1 0 328.180 3.061 20 30 EGEDRM N#CC(C(=O)NC1CC1)=C([O-])c1csc(-c2ccccc2Cl)n1 ZINC000171366013 1294404043 /nfs/dbraw/zinc/40/40/43/1294404043.db2.gz ZFEIJYJQKIIYRL-NSHDSACASA-N -1 0 345.811 3.065 20 30 EGEDRM COc1cc(/C=C2/Cc3cc(F)ccc3C2=O)cc([N+](=O)[O-])c1[O-] ZINC000172044994 1294427168 /nfs/dbraw/zinc/42/71/68/1294427168.db2.gz JNBMJPJCQNRKIR-WCIBSUBMSA-N -1 0 329.283 3.271 20 30 EGEDRM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1F ZINC000172889728 1294447586 /nfs/dbraw/zinc/44/75/86/1294447586.db2.gz FLNNLJCYRJVAEE-UHFFFAOYSA-N -1 0 349.343 3.023 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)Cc2cccc(Br)c2)c1 ZINC000176409327 1294605335 /nfs/dbraw/zinc/60/53/35/1294605335.db2.gz IGWIRILGPXSLJL-UHFFFAOYSA-N -1 0 331.169 3.208 20 30 EGEDRM CCOc1ccccc1C(F)(F)C(=O)Nc1cc(C#N)ccc1[O-] ZINC000179731556 1294819931 /nfs/dbraw/zinc/81/99/31/1294819931.db2.gz MWVBRWIURVRTBS-UHFFFAOYSA-N -1 0 332.306 3.393 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)[C@H]2CCCN2Cc2ccc(F)cc2)c1 ZINC000179738653 1294820958 /nfs/dbraw/zinc/82/09/58/1294820958.db2.gz RWZLXSRXXHCADE-QGZVFWFLSA-N -1 0 339.370 3.006 20 30 EGEDRM CCCc1c(C(=O)Nc2cc(C#N)ccc2[O-])[nH]c(C)c1C(C)=O ZINC000179738486 1294821067 /nfs/dbraw/zinc/82/10/67/1294821067.db2.gz WFJIAMKNMCEFOY-UHFFFAOYSA-N -1 0 325.368 3.308 20 30 EGEDRM Cc1ccc(C2(C(=O)Nc3cc(C#N)ccc3[O-])CCOCC2)cc1 ZINC000179737025 1294821673 /nfs/dbraw/zinc/82/16/73/1294821673.db2.gz GTFCLFWWARETTJ-UHFFFAOYSA-N -1 0 336.391 3.259 20 30 EGEDRM C[C@H](CC(=O)C(C#N)=C([O-])c1nccn1C)Cc1ccc(Cl)cc1 ZINC000179843975 1294831892 /nfs/dbraw/zinc/83/18/92/1294831892.db2.gz ZVSLHCRJVOSWCC-SWLSCSKDSA-N -1 0 343.814 3.234 20 30 EGEDRM COc1ccsc1C(=O)/C=C/c1cc(OC)c([O-])c([N+](=O)[O-])c1 ZINC000184767457 1295216731 /nfs/dbraw/zinc/21/67/31/1295216731.db2.gz PGQMRFXMCDLXKU-ONEGZZNKSA-N -1 0 335.337 3.275 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)/C=C/c1cccc(OC2CCCC2)c1 ZINC000191260248 1295661629 /nfs/dbraw/zinc/66/16/29/1295661629.db2.gz NOZCYJZLJPDJGC-ZHACJKMWSA-N -1 0 329.396 3.120 20 30 EGEDRM C=CCC1(C(=O)[N-]S(=O)(=O)c2ccc(OCCC)cc2)CCC1 ZINC000192288886 1295749612 /nfs/dbraw/zinc/74/96/12/1295749612.db2.gz IWDGFWVEAYLOQS-UHFFFAOYSA-N -1 0 337.441 3.027 20 30 EGEDRM COc1cccc(C=Nn2c(-c3ccc(F)cc3)n[n-]c2=S)c1O ZINC000254412363 1296472293 /nfs/dbraw/zinc/47/22/93/1296472293.db2.gz SJRUTJNIGUJUFW-UHFFFAOYSA-N -1 0 344.371 3.343 20 30 EGEDRM COc1cccc(C=Nn2c(=S)[n-]nc2-c2ccco2)c1OC ZINC000254589152 1296475014 /nfs/dbraw/zinc/47/50/14/1296475014.db2.gz FGTAQUQRHFZAAX-UHFFFAOYSA-N -1 0 330.369 3.100 20 30 EGEDRM C=CCc1cc(/C=C\C(=O)c2cc(O)ccc2O)cc(OC)c1O ZINC000255088706 1296497646 /nfs/dbraw/zinc/49/76/46/1296497646.db2.gz UGJVZQYXTJJAIN-ALCCZGGFSA-N -1 0 326.348 3.437 20 30 EGEDRM COc1ccc(C(=O)/C=C\c2ccc([N+](=O)[O-])c([O-])c2)c(OC)c1 ZINC000255132816 1296503202 /nfs/dbraw/zinc/50/32/02/1296503202.db2.gz SWXPOPPEEZLKJT-YWEYNIOJSA-N -1 0 329.308 3.214 20 30 EGEDRM COCCCOc1cccc(/C=C\C(=O)c2ccc(O)cc2[O-])c1 ZINC000255319790 1296518616 /nfs/dbraw/zinc/51/86/16/1296518616.db2.gz FKKQPVYUFYGODF-TWGQIWQCSA-N -1 0 328.364 3.409 20 30 EGEDRM CON=Cc1ccc(C(=O)Nc2cc(Br)ccc2O)cc1 ZINC000255834662 1296570017 /nfs/dbraw/zinc/57/00/17/1296570017.db2.gz SHZOJYKZIOLAPH-UHFFFAOYSA-N -1 0 349.184 3.387 20 30 EGEDRM C=CCC[C@@H](NC(=O)C1(c2cccc(OC)c2)CCCC1)C(=O)[O-] ZINC000262981277 1296655246 /nfs/dbraw/zinc/65/52/46/1296655246.db2.gz UJCIUKYBUXHBCA-MRXNPFEDSA-N -1 0 331.412 3.043 20 30 EGEDRM C=CCC[C@@H](NC(=O)Nc1cccc(Br)c1C)C(=O)[O-] ZINC000316203702 1297140533 /nfs/dbraw/zinc/14/05/33/1297140533.db2.gz YYHIESIJPMOHBN-GFCCVEGCSA-N -1 0 341.205 3.298 20 30 EGEDRM CC(C)C[C@](C)(CC(=O)[O-])C(=O)Nc1ccc(F)cc1OCC#N ZINC000872855239 1297143974 /nfs/dbraw/zinc/14/39/74/1297143974.db2.gz ZMBXNLJIYAVSQB-QGZVFWFLSA-N -1 0 336.363 3.194 20 30 EGEDRM C[C@H](Oc1cccc(/C=C2/Oc3cc(F)cc(F)c3C2=O)c1)C(=O)[O-] ZINC000588450160 1298067790 /nfs/dbraw/zinc/06/77/90/1298067790.db2.gz FFODQPSBXFPUMU-JBZZFUPASA-N -1 0 346.285 3.433 20 30 EGEDRM CN1C(=O)CCc2cc(/C=C\C(=O)c3csc(C(=O)[O-])c3)ccc21 ZINC000588508631 1298074641 /nfs/dbraw/zinc/07/46/41/1298074641.db2.gz AHTRTIPWIYUQJW-UTCJRWHESA-N -1 0 341.388 3.251 20 30 EGEDRM O=C([O-])c1cccc(C=C2CCc3[nH]c(=O)ccc3C2=O)c1Cl ZINC000588559726 1298083980 /nfs/dbraw/zinc/08/39/80/1298083980.db2.gz YHRUBESMGMUQGF-NTMALXAHSA-N -1 0 329.739 3.351 20 30 EGEDRM CC(C)N(C)c1ccc(/C=C\C(=O)c2ccc([O-])c([N+](=O)[O-])c2)cn1 ZINC000588579759 1298086857 /nfs/dbraw/zinc/08/68/57/1298086857.db2.gz MGVVWLJQYVQAIV-DAXSKMNVSA-N -1 0 341.367 3.436 20 30 EGEDRM N#Cc1ccccc1/C=C\C(=O)Nc1nc(Br)ccc1[O-] ZINC000588611271 1298092436 /nfs/dbraw/zinc/09/24/36/1298092436.db2.gz HDOGLFWDWVSWJU-YVMONPNESA-N -1 0 344.168 3.073 20 30 EGEDRM N#Cc1cc(Nc2nc[n-]c(=O)c2Br)ccc1Cl ZINC000690186119 1298129134 /nfs/dbraw/zinc/12/91/34/1298129134.db2.gz OEZMHKUXMJXABR-UHFFFAOYSA-N -1 0 325.553 3.213 20 30 EGEDRM C=CCN1c2ccccc2C(=N[N-]c2oc(CC(C)C)nc2C#N)C1=O ZINC000745614016 1298430248 /nfs/dbraw/zinc/43/02/48/1298430248.db2.gz WDFPSFGLQGMCHT-UHFFFAOYSA-N -1 0 349.394 3.094 20 30 EGEDRM Cc1ccc([N+](=O)[O-])cc1NN=Cc1cccc(OCCC(=O)[O-])c1 ZINC000747060567 1298718893 /nfs/dbraw/zinc/71/88/93/1298718893.db2.gz XWUOKKHOCRDNFI-UHFFFAOYSA-N -1 0 343.339 3.203 20 30 EGEDRM N#CC(C(=O)Nc1ccccn1)=C([O-])c1cc(-c2ccccc2)ns1 ZINC000747213768 1298741858 /nfs/dbraw/zinc/74/18/58/1298741858.db2.gz VUCYCAQVDNRDSP-ZDUSSCGKSA-N -1 0 348.387 3.166 20 30 EGEDRM Cc1cc(C)n(-c2ccc(CC(=O)Nc3cc(C#N)ccc3[O-])cc2)n1 ZINC000748410255 1299002629 /nfs/dbraw/zinc/00/26/29/1299002629.db2.gz FZTLRNUHOPRYSQ-UHFFFAOYSA-N -1 0 346.390 3.248 20 30 EGEDRM COc1ccc(-c2nc(S[C@@H]3CCCOC3)[n-]c(=O)c2C#N)cc1 ZINC000751558130 1299566513 /nfs/dbraw/zinc/56/65/13/1299566513.db2.gz NUNPEYNAUAUETD-CYBMUJFWSA-N -1 0 343.408 3.001 20 30 EGEDRM CC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1ccc(Cl)c(Cl)c1[O-] ZINC000753937813 1300047266 /nfs/dbraw/zinc/04/72/66/1300047266.db2.gz HNQPMQDGYXPLNO-RYUDHWBXSA-N -1 0 341.242 3.283 20 30 EGEDRM CC(C)(C)n1ncc2c1nc(N=NCCCc1ccccc1)[n-]c2=O ZINC000755726593 1300385710 /nfs/dbraw/zinc/38/57/10/1300385710.db2.gz NWDCGNOIUIGQPD-UHFFFAOYSA-N -1 0 338.415 3.317 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1[N-][NH+]=Cc1ccc(N2CCCCC2)o1 ZINC000756899056 1300585421 /nfs/dbraw/zinc/58/54/21/1300585421.db2.gz NOFUGCZOKVJQPW-UHFFFAOYSA-N -1 0 343.383 3.423 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1NN=C1CCc2c1c(F)ccc2F ZINC000756899419 1300586102 /nfs/dbraw/zinc/58/61/02/1300586102.db2.gz ZTMBAEWVXZQHHF-UHFFFAOYSA-N -1 0 332.306 3.434 20 30 EGEDRM C=CCNC(=O)C(C#N)=C([O-])c1cccc(-c2c(F)cccc2F)c1 ZINC000757410730 1300670212 /nfs/dbraw/zinc/67/02/12/1300670212.db2.gz VCMOVASHPPLQDQ-AWEZNQCLSA-N -1 0 340.329 3.256 20 30 EGEDRM CC(N=Nc1ncccc1C(F)(F)F)c1cc(C(=O)[O-])ccc1O ZINC000757460061 1300671405 /nfs/dbraw/zinc/67/14/05/1300671405.db2.gz MYIUNIVPZOSKLR-UHFFFAOYSA-N -1 0 339.273 3.340 20 30 EGEDRM O=C(/C=C/c1ccc(N2CCOCC2)cc1)c1cc(F)cc(F)c1[O-] ZINC000757474961 1300675772 /nfs/dbraw/zinc/67/57/72/1300675772.db2.gz DUXKLUWGYOQZFR-ZZXKWVIFSA-N -1 0 345.345 3.403 20 30 EGEDRM O=C(/C=C/c1ccc(-n2cncn2)c(F)c1)c1ccc(F)cc1[O-] ZINC000757476300 1300676318 /nfs/dbraw/zinc/67/63/18/1300676318.db2.gz PLJKERXDPFQKPP-QHHAFSJGSA-N -1 0 327.290 3.147 20 30 EGEDRM C=C[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc(C)cc1F)c1ccccc1 ZINC000759407056 1301082836 /nfs/dbraw/zinc/08/28/36/1301082836.db2.gz XNSXINMVQDZESA-AWEZNQCLSA-N -1 0 347.411 3.299 20 30 EGEDRM N#Cc1c(COC(=O)c2cc(F)c([O-])c(F)c2)cn2ccccc12 ZINC000759546454 1301112222 /nfs/dbraw/zinc/11/22/22/1301112222.db2.gz SLEFACNATBEMAI-UHFFFAOYSA-N -1 0 328.274 3.152 20 30 EGEDRM CC(=NNc1ccccc1C(=O)[O-])c1cnn(Cc2ccccc2)c1 ZINC000760240199 1301237430 /nfs/dbraw/zinc/23/74/30/1301237430.db2.gz ADRDSVSHTDYHHT-UHFFFAOYSA-N -1 0 334.379 3.466 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])c(/C=N\C[C@@H](O)c2ccc(Cl)c(F)c2)c1 ZINC000762436066 1301679129 /nfs/dbraw/zinc/67/91/29/1301679129.db2.gz KGHOUBAVZQISLL-RWMLIFJVSA-N -1 0 338.722 3.245 20 30 EGEDRM CCC(N=Nc1nccc(N(CC)CC)n1)c1ccc(C(=O)[O-])cc1 ZINC000762617072 1301713733 /nfs/dbraw/zinc/71/37/33/1301713733.db2.gz KPCPWUUYJMADSF-UHFFFAOYSA-N -1 0 341.415 3.247 20 30 EGEDRM CC[C@@H](/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-])C(=O)OC(C)(C)C ZINC000763098006 1301823640 /nfs/dbraw/zinc/82/36/40/1301823640.db2.gz STFQVJUCMUPQRJ-SXGUVYOMSA-N -1 0 342.779 3.493 20 30 EGEDRM CC(N=Nc1cnccn1)c1cc(Br)cc(Cl)c1[O-] ZINC000764683649 1302117532 /nfs/dbraw/zinc/11/75/32/1302117532.db2.gz MXHRPDRLIJBFGA-UHFFFAOYSA-N -1 0 341.596 3.434 20 30 EGEDRM COc1cc(C(=O)/C=C\c2cc(C(=O)[O-])cs2)cc(OC)c1OC ZINC000765822617 1302335372 /nfs/dbraw/zinc/33/53/72/1302335372.db2.gz AZYQUMGIMXDBFM-PLNGDYQASA-N -1 0 348.376 3.368 20 30 EGEDRM N#C[C@H]([N-]C(=O)C(F)(F)C1(O)CCC1)c1c(Cl)cccc1Cl ZINC000767429520 1302673022 /nfs/dbraw/zinc/67/30/22/1302673022.db2.gz AVFQWCLYSQRKDY-JTQLQIEISA-N -1 0 349.164 3.225 20 30 EGEDRM Cn1ncc2c1nc(N=NC1CCC(c3ccccc3)CC1)[n-]c2=O ZINC000769809667 1303177725 /nfs/dbraw/zinc/17/77/25/1303177725.db2.gz YYWSZKJNPXPSHM-UHFFFAOYSA-N -1 0 336.399 3.195 20 30 EGEDRM N#Cc1ccc(/C=C(/C(=O)C(=O)[O-])c2ccc3ccccc3n2)c(F)c1 ZINC000772806262 1303580681 /nfs/dbraw/zinc/58/06/81/1303580681.db2.gz MEQLBIOQUZKFTK-XNTDXEJSSA-N -1 0 346.317 3.440 20 30 EGEDRM COc1ccc(C=NN[C@H]2CCCCC2(C)C)c(OCC(=O)[O-])c1 ZINC000773125094 1303629364 /nfs/dbraw/zinc/62/93/64/1303629364.db2.gz MUGNPEYNVNKDBM-INIZCTEOSA-N -1 0 334.416 3.051 20 30 EGEDRM O=C(C=Cc1c[nH]nc1-c1ccc2c(c1)OCO2)c1sccc1[O-] ZINC000773142852 1303632798 /nfs/dbraw/zinc/63/27/98/1303632798.db2.gz GWQUJQKHOJWLKQ-HNQUOIGGSA-N -1 0 340.360 3.469 20 30 EGEDRM CC(=O)c1ccc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)o1 ZINC000774052232 1303768467 /nfs/dbraw/zinc/76/84/67/1303768467.db2.gz LTVIVARRMVYELI-JTQLQIEISA-N -1 0 330.727 3.097 20 30 EGEDRM CN(C)c1cc(C(=O)Nc2cc(C#N)ccc2[O-])nc2ccccc21 ZINC000774082275 1303772380 /nfs/dbraw/zinc/77/23/80/1303772380.db2.gz PXUUAYHWHHXFDG-UHFFFAOYSA-N -1 0 332.363 3.130 20 30 EGEDRM CN1C(=O)CCc2cc(/C=C/C(=O)c3ccc(CC(=O)[O-])cc3)ccc21 ZINC000774117697 1303775734 /nfs/dbraw/zinc/77/57/34/1303775734.db2.gz GMSPKTOKIHIJIQ-BJMVGYQFSA-N -1 0 349.386 3.119 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)n2)ccc1C#N ZINC000775089643 1303906647 /nfs/dbraw/zinc/90/66/47/1303906647.db2.gz OEWQHAMYMOFIIW-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM C#CCOc1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1Cl ZINC000775295423 1303935973 /nfs/dbraw/zinc/93/59/73/1303935973.db2.gz JMHCFKBLUCNGBW-UHFFFAOYSA-N -1 0 335.812 3.461 20 30 EGEDRM C#CCOc1ccc([N-]S(=O)(=O)c2cccc(C)c2Cl)cc1 ZINC000775672370 1304012076 /nfs/dbraw/zinc/01/20/76/1304012076.db2.gz RJIHLRGNQTULAV-UHFFFAOYSA-N -1 0 335.812 3.461 20 30 EGEDRM CCCC(CC)N=Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cn1 ZINC000776186774 1304108715 /nfs/dbraw/zinc/10/87/15/1304108715.db2.gz ZNJSUYAJVAVVDM-UHFFFAOYSA-N -1 0 347.444 3.255 20 30 EGEDRM COc1cc(/C=C\C(=O)c2ccc(C#N)c(F)c2)cc([N+](=O)[O-])c1[O-] ZINC000776725476 1304188248 /nfs/dbraw/zinc/18/82/48/1304188248.db2.gz BJKUXAUGHKNFFG-DJWKRKHSSA-N -1 0 342.282 3.216 20 30 EGEDRM CC(N=Nc1nc(-c2ccccc2)no1)c1ccc(C(=O)[O-])c(F)c1 ZINC000776768697 1304195996 /nfs/dbraw/zinc/19/59/96/1304195996.db2.gz QZBZQEUABLWCJJ-UHFFFAOYSA-N -1 0 340.314 3.410 20 30 EGEDRM CC(=NNc1nc2ccccc2c(=O)[nH]1)c1ccc(C(=O)[O-])c(F)c1 ZINC000776778821 1304198447 /nfs/dbraw/zinc/19/84/47/1304198447.db2.gz WZVHFTZREYVDOR-UHFFFAOYSA-N -1 0 340.314 3.009 20 30 EGEDRM CCCCCC(C)(C)C(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC000779320903 1304556208 /nfs/dbraw/zinc/55/62/08/1304556208.db2.gz FXLYLPXWOOZENW-UHFFFAOYSA-N -1 0 328.478 3.123 20 30 EGEDRM Cc1nnc(NN=Cc2cc(Cl)cc(C(F)(F)F)c2)[n-]c1=O ZINC000780197724 1304652406 /nfs/dbraw/zinc/65/24/06/1304652406.db2.gz QLYMCTCWSKWTPG-UHFFFAOYSA-N -1 0 331.685 3.004 20 30 EGEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)[C@H](C)[C@@H](C)CC ZINC000780320302 1304675637 /nfs/dbraw/zinc/67/56/37/1304675637.db2.gz YAQSQESJKCLGCM-MISXGVKJSA-N -1 0 346.427 3.382 20 30 EGEDRM O=C([O-])COc1cccc(C(=O)/C=C\c2scnc2C2CC2)c1 ZINC000782306140 1304951184 /nfs/dbraw/zinc/95/11/84/1304951184.db2.gz KNCPNDWWTHTDRQ-SREVYHEPSA-N -1 0 329.377 3.380 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1NN=Cc1ccc([N+](=O)[O-])cc1Cl ZINC000783862712 1305153401 /nfs/dbraw/zinc/15/34/01/1305153401.db2.gz MNOGHLDFDBIDNQ-UHFFFAOYSA-N -1 0 349.730 3.401 20 30 EGEDRM COc1cc(C=NNc2ccc(C#N)c(Cl)c2)cc([N+](=O)[O-])c1[O-] ZINC000783876935 1305156099 /nfs/dbraw/zinc/15/60/99/1305156099.db2.gz GGCWWESNAKQYKH-UHFFFAOYSA-N -1 0 346.730 3.280 20 30 EGEDRM C=CCCN(OCc1ccccc1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000783873241 1305156305 /nfs/dbraw/zinc/15/63/05/1305156305.db2.gz LNYSZGZFJMDQIP-UHFFFAOYSA-N -1 0 342.351 3.451 20 30 EGEDRM CN(C)C(=O)Sc1cccc(NC(=O)c2ccc(C#N)c([O-])c2)c1 ZINC000785416013 1305348280 /nfs/dbraw/zinc/34/82/80/1305348280.db2.gz RQGOLYGYYOHOIN-UHFFFAOYSA-N -1 0 341.392 3.290 20 30 EGEDRM C[C@@H](NS(=O)(=O)c1cccc(F)c1C#N)c1cc2ccccc2o1 ZINC000785533972 1305372549 /nfs/dbraw/zinc/37/25/49/1305372549.db2.gz LOCUYFLFOTYPJR-LLVKDONJSA-N -1 0 344.367 3.483 20 30 EGEDRM C=Cc1ccc(C(=O)OCC([O-])=C(C#N)c2nc(C)cs2)cc1 ZINC000785625214 1305397859 /nfs/dbraw/zinc/39/78/59/1305397859.db2.gz LVZXOODQBHGPOA-AWEZNQCLSA-N -1 0 326.377 3.128 20 30 EGEDRM Cc1cc(F)cc(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)c1 ZINC000786534324 1305591380 /nfs/dbraw/zinc/59/13/80/1305591380.db2.gz JORURISQXKSGBA-INIZCTEOSA-N -1 0 344.773 3.426 20 30 EGEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2cc(F)cc(Cl)c2)c1 ZINC000786537826 1305593015 /nfs/dbraw/zinc/59/30/15/1305593015.db2.gz AKTXWOAAOSCOCY-INIZCTEOSA-N -1 0 344.773 3.426 20 30 EGEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2cc3occc3s2)c1 ZINC000786540880 1305593962 /nfs/dbraw/zinc/59/39/62/1305593962.db2.gz NCPUZRRMPGMWOU-ZDUSSCGKSA-N -1 0 338.388 3.442 20 30 EGEDRM Cc1ccc(C([O-])=C(C#N)C(=O)NCc2ccc(F)cc2F)c(C)c1 ZINC000786563141 1305599654 /nfs/dbraw/zinc/59/96/54/1305599654.db2.gz KZNBVKWXBXEIPM-INIZCTEOSA-N -1 0 342.345 3.221 20 30 EGEDRM C=C1CCC(C(=O)[N-]S(=O)(=O)c2ccc(OC(C)C)cc2)CC1 ZINC000892921986 1305609060 /nfs/dbraw/zinc/60/90/60/1305609060.db2.gz BYQSNDMYNGZAHD-UHFFFAOYSA-N -1 0 337.441 3.025 20 30 EGEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1ccn(C(C)C)n1)c1ccccc1 ZINC000787041066 1305681749 /nfs/dbraw/zinc/68/17/49/1305681749.db2.gz YEKKRNYHOUAJQS-HOTGVXAUSA-N -1 0 338.411 3.054 20 30 EGEDRM C[C@H]1CCc2[nH]nc(C([O-])=C(C#N)c3cc(C(F)(F)F)ccn3)c2C1 ZINC000893061340 1305685047 /nfs/dbraw/zinc/68/50/47/1305685047.db2.gz KXQOLMSFRQYPBO-JOYOIKCWSA-N -1 0 348.328 3.438 20 30 EGEDRM C=C1CCC(C(=O)[N-]S(=O)(=O)c2cc(C)ccc2Cl)CC1 ZINC000893695778 1306034552 /nfs/dbraw/zinc/03/45/52/1306034552.db2.gz BVODMYMDUDTKKN-UHFFFAOYSA-N -1 0 327.833 3.200 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1N=NC(C)CN1Cc2ccccc2C1 ZINC000792635991 1309200378 /nfs/dbraw/zinc/20/03/78/1309200378.db2.gz ZYQGSJLORXGSGT-UHFFFAOYSA-N -1 0 339.395 3.197 20 30 EGEDRM CC[C@H](NN=Cc1cc(C)c(OCc2ccccn2)c(C)c1)C(=O)[O-] ZINC000793055285 1309287784 /nfs/dbraw/zinc/28/77/84/1309287784.db2.gz LCTPXTVFOLUZIO-KRWDZBQOSA-N -1 0 341.411 3.064 20 30 EGEDRM CC[C@@H](NN=Cc1ccc(OC)c(OCc2ccccc2)c1)C(=O)[O-] ZINC000793081139 1309293183 /nfs/dbraw/zinc/29/31/83/1309293183.db2.gz HJIFJBITYHULJB-MRXNPFEDSA-N -1 0 342.395 3.061 20 30 EGEDRM C[C@H](Oc1ccc(/C=C2\CCc3ccc(O)cc3C2=O)cc1)C(=O)[O-] ZINC000794713694 1309580110 /nfs/dbraw/zinc/58/01/10/1309580110.db2.gz OITXYYUJQMUVGL-XBUHWIKASA-N -1 0 338.359 3.457 20 30 EGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)C[C@@H]1CCC(=O)[C@H]1C ZINC000796628633 1310049006 /nfs/dbraw/zinc/04/90/06/1310049006.db2.gz LFPITWOGPIDSFJ-CORIIIEPSA-N -1 0 336.391 3.373 20 30 EGEDRM N#Cc1ccc(O)c([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)c1 ZINC000797431540 1310188638 /nfs/dbraw/zinc/18/86/38/1310188638.db2.gz QNRKTJNVFCRUPQ-UHFFFAOYSA-N -1 0 343.191 3.371 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)Nc1cc(Cl)c(OC)c(Cl)c1 ZINC000797743413 1310240044 /nfs/dbraw/zinc/24/00/44/1310240044.db2.gz QDPNHNVHEZCXEW-UHFFFAOYSA-N -1 0 333.171 3.107 20 30 EGEDRM C=CC[C@H](CC)[N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000798469811 1310366853 /nfs/dbraw/zinc/36/68/53/1310366853.db2.gz YMGIAHZLBMANOK-LURJTMIESA-N -1 0 329.290 3.015 20 30 EGEDRM COC(=O)[C@H](OC(=O)c1cc([S-])ccc1F)c1cccc(C#N)c1 ZINC000798725395 1310430858 /nfs/dbraw/zinc/43/08/58/1310430858.db2.gz ZAKTXGHGYIKRNF-OAHLLOKOSA-N -1 0 345.351 3.057 20 30 EGEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1ccc(Oc2ccccc2)cn1 ZINC000799603439 1310588162 /nfs/dbraw/zinc/58/81/62/1310588162.db2.gz HXBLPTYQCPJCPC-KRWDZBQOSA-N -1 0 349.390 3.255 20 30 EGEDRM COc1ccc(-c2csc(C(C#N)=C([O-])C3=CCOCC3)n2)cc1 ZINC000802052662 1316976935 /nfs/dbraw/zinc/97/69/35/1316976935.db2.gz DCFRRTRAVXRTFT-OAHLLOKOSA-N -1 0 340.404 3.342 20 30 EGEDRM CCc1onc(C)c1/C=C\C(=O)c1ccc(OC)c(CC(=O)[O-])c1 ZINC000899342647 1316996332 /nfs/dbraw/zinc/99/63/32/1316996332.db2.gz BVGFUNKBWLTLFA-SREVYHEPSA-N -1 0 329.352 3.077 20 30 EGEDRM Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C\c1cnn(C3CCC3)c1)CC2 ZINC000899348436 1316997439 /nfs/dbraw/zinc/99/74/39/1316997439.db2.gz YPGFHCNMLWTUKS-GHXNOFRVSA-N -1 0 326.352 3.420 20 30 EGEDRM CCn1cncc1/C=C/C(=O)c1ccc(OCCCC(=O)[O-])cc1 ZINC000901426801 1317424526 /nfs/dbraw/zinc/42/45/26/1317424526.db2.gz RGAPKGXXGYPYCG-JXMROGBWSA-N -1 0 328.368 3.043 20 30 EGEDRM Cc1c2ccc(F)cc2sc1C([O-])=C(C#N)C(=O)c1nccn1C ZINC000805898143 1317436118 /nfs/dbraw/zinc/43/61/18/1317436118.db2.gz AVCAZIYRNUQQGG-GFCCVEGCSA-N -1 0 341.367 3.288 20 30 EGEDRM O=C([O-])c1ccc2c(c1)CCC/C(=C\c1cnn(CC(F)F)c1)C2=O ZINC000901522998 1317440333 /nfs/dbraw/zinc/44/03/33/1317440333.db2.gz AXYNGROCXGPJGL-AWNIVKPZSA-N -1 0 346.333 3.449 20 30 EGEDRM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1cn(C)nc1C1CCCC1 ZINC000901874378 1317491730 /nfs/dbraw/zinc/49/17/30/1317491730.db2.gz PZBKAMHUBCDWJV-UHFFFAOYSA-N -1 0 344.440 3.059 20 30 EGEDRM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1cn(C)nc1C1CCCC1 ZINC000901907419 1317495736 /nfs/dbraw/zinc/49/57/36/1317495736.db2.gz LTNHIVKQFQVKCC-UHFFFAOYSA-N -1 0 344.440 3.059 20 30 EGEDRM C=CCCc1ccccc1[N-]S(=O)(=O)c1cnc2n1CCCC2 ZINC000901918755 1317498450 /nfs/dbraw/zinc/49/84/50/1317498450.db2.gz DRIKCVMFSSPAKO-UHFFFAOYSA-N -1 0 331.441 3.139 20 30 EGEDRM O=C([O-])c1cccc(C(=O)/C=C\c2ccc(N3CCOCC3)cc2)c1 ZINC000806558636 1317500695 /nfs/dbraw/zinc/50/06/95/1317500695.db2.gz IARZKVBWPQEWKH-TWGQIWQCSA-N -1 0 337.375 3.118 20 30 EGEDRM COc1cc(/C=C/C(=O)c2cccc(C(=O)[O-])c2)ccc1OCC#N ZINC000806559063 1317500892 /nfs/dbraw/zinc/50/08/92/1317500892.db2.gz SYKUSOWFDGWIGF-FNORWQNLSA-N -1 0 337.331 3.192 20 30 EGEDRM Cc1cc(C#N)c([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)s1 ZINC000903169567 1317667564 /nfs/dbraw/zinc/66/75/64/1317667564.db2.gz LRWGEJTULALZBY-UHFFFAOYSA-N -1 0 334.422 3.054 20 30 EGEDRM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1ocnc1C1CC1 ZINC000808980208 1317755616 /nfs/dbraw/zinc/75/56/16/1317755616.db2.gz WKXYCBBWEHKDHI-JTQLQIEISA-N -1 0 329.743 3.167 20 30 EGEDRM C#CCCS(=O)(=O)[N-]C(=O)c1ccc(-c2cccc(C(C)C)c2)o1 ZINC000810781441 1318056024 /nfs/dbraw/zinc/05/60/24/1318056024.db2.gz QRQNSIHHNHTCGN-UHFFFAOYSA-N -1 0 345.420 3.153 20 30 EGEDRM COc1cc(C)nc(N=NC2CCCCc3cc(C(=O)[O-])ccc32)n1 ZINC000811644493 1318218300 /nfs/dbraw/zinc/21/83/00/1318218300.db2.gz YISPCVCJQGMDOQ-UHFFFAOYSA-N -1 0 340.383 3.034 20 30 EGEDRM O=C([O-])COc1ccc(Br)cc1C=NOC/C=C\Cl ZINC000811670230 1318224627 /nfs/dbraw/zinc/22/46/27/1318224627.db2.gz ZVENUXKMVANXRF-ZQPYHITOSA-N -1 0 348.580 3.016 20 30 EGEDRM C[C@@H](Oc1cccc(C(=O)/C=C\c2cccc(F)c2C#N)c1)C(=O)[O-] ZINC000811689549 1318227335 /nfs/dbraw/zinc/22/73/35/1318227335.db2.gz GOJFVHDXCVOQLH-JLVNDZCYSA-N -1 0 339.322 3.445 20 30 EGEDRM COc1ccc(C(=O)/C=C/c2cccc(F)c2C#N)cc1CC(=O)[O-] ZINC000811688914 1318227369 /nfs/dbraw/zinc/22/73/69/1318227369.db2.gz TWRXLJYZOBAWBU-FNORWQNLSA-N -1 0 339.322 3.229 20 30 EGEDRM C#C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccc(Cl)cc1 ZINC000812351566 1318373808 /nfs/dbraw/zinc/37/38/08/1318373808.db2.gz OWBCHEYQVOKXMO-CYBMUJFWSA-N -1 0 330.727 3.058 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)c1cccn1[C@H](C)Cc1ccccc1 ZINC000909514925 1318485743 /nfs/dbraw/zinc/48/57/43/1318485743.db2.gz NARKQKFLUNZZMK-OAHLLOKOSA-N -1 0 326.396 3.005 20 30 EGEDRM C=CCC(C)(C)C(=O)NCc1ccc(C(=O)[O-])cc1Br ZINC000909672296 1318513374 /nfs/dbraw/zinc/51/33/74/1318513374.db2.gz ZPBRLJDJDFYQPG-UHFFFAOYSA-N -1 0 340.217 3.366 20 30 EGEDRM N#CC1(C(=O)Nc2ccc(Br)c(C(=O)[O-])c2)CCCC1 ZINC000910707665 1318660631 /nfs/dbraw/zinc/66/06/31/1318660631.db2.gz KFEMQPWMVCCLNM-UHFFFAOYSA-N -1 0 337.173 3.170 20 30 EGEDRM C=CCSc1ccccc1C(=O)N[C@H](CC(=O)[O-])C(F)(F)F ZINC000911157096 1318722282 /nfs/dbraw/zinc/72/22/82/1318722282.db2.gz IQXJVBUNZBFGAI-LLVKDONJSA-N -1 0 333.331 3.100 20 30 EGEDRM Cc1ccc(C)c(NC(=S)NN=C2CC[C@H](C(=O)[O-])C[C@H]2C)c1 ZINC000814706880 1318802146 /nfs/dbraw/zinc/80/21/46/1318802146.db2.gz GPEBXXJANBKRPB-OLZOCXBDSA-N -1 0 333.457 3.467 20 30 EGEDRM CCCCC1N=NC(=S)N1N=Cc1cc(C(=O)[O-])c(C)cc1C ZINC000814723456 1318806032 /nfs/dbraw/zinc/80/60/32/1318806032.db2.gz PGCGCNXGJIYELV-UHFFFAOYSA-N -1 0 332.429 3.107 20 30 EGEDRM CC(CCCCCCC(=O)[O-])N=Nc1nc2ccccc2c(=O)n1C ZINC000814771167 1318812213 /nfs/dbraw/zinc/81/22/13/1318812213.db2.gz MBOFHSKOZMVILE-UHFFFAOYSA-N -1 0 344.415 3.147 20 30 EGEDRM Cc1ccc(F)c(NC(=S)NN=C2CC[C@H](CC(=O)[O-])[C@H]2C)c1 ZINC000814820322 1318824027 /nfs/dbraw/zinc/82/40/27/1318824027.db2.gz YLXBCISPONATJL-GHMZBOCLSA-N -1 0 337.420 3.297 20 30 EGEDRM COc1ccc(N=NC(C)c2cc(C(=O)[O-])cs2)c([N+](=O)[O-])c1 ZINC000814882967 1318838919 /nfs/dbraw/zinc/83/89/19/1318838919.db2.gz UXDOZLMDFIDGBM-UHFFFAOYSA-N -1 0 335.341 3.199 20 30 EGEDRM C[C@H]1C(N=Nc2ccc(C(F)(F)F)nn2)CC[C@H](C(=O)[O-])C1(C)C ZINC000814886805 1318840095 /nfs/dbraw/zinc/84/00/95/1318840095.db2.gz CYDWTHOEGYBUEF-DTWKUNHWSA-N -1 0 344.337 3.420 20 30 EGEDRM C[C@H](CCc1ccc2c(c1)OCO2)NN=C1CC[C@H](CC(=O)[O-])[C@H]1C ZINC000814924547 1318850307 /nfs/dbraw/zinc/85/03/07/1318850307.db2.gz RHNYPSUZUHMUOH-UMVBOHGHSA-N -1 0 346.427 3.203 20 30 EGEDRM COc1cc(C(C)=NOC/C=C/Cl)ccc1OCCCC(=O)[O-] ZINC000814933812 1318853291 /nfs/dbraw/zinc/85/32/91/1318853291.db2.gz AWZKPJQYPADZEC-HHHYQMJBSA-N -1 0 341.791 3.432 20 30 EGEDRM CCc1ccc(-c2nn(-c3ccccc3)cc2C=NNCC(=O)[O-])cc1 ZINC000814957122 1318860154 /nfs/dbraw/zinc/86/01/54/1318860154.db2.gz VFIWQYDPBBGUBC-UHFFFAOYSA-N -1 0 348.406 3.110 20 30 EGEDRM O=C([O-])CNN=Cc1ccc(-c2cccc(Br)c2)s1 ZINC000814958296 1318860363 /nfs/dbraw/zinc/86/03/63/1318860363.db2.gz KAJYTJPVZBAIPG-UHFFFAOYSA-N -1 0 339.214 3.186 20 30 EGEDRM O=C([O-])COc1ccccc1CN=Nc1ncccc1C(F)(F)F ZINC000915050952 1319414915 /nfs/dbraw/zinc/41/49/15/1319414915.db2.gz HDFDROVOOULKBE-UHFFFAOYSA-N -1 0 339.273 3.010 20 30 EGEDRM C=CCNC(=S)NN=C(C)c1ccc(-c2ccc(C(=O)[O-])o2)cc1 ZINC000915923652 1319562678 /nfs/dbraw/zinc/56/26/78/1319562678.db2.gz JVFRZHABHUHXQZ-UHFFFAOYSA-N -1 0 343.408 3.019 20 30 EGEDRM Cc1c(C(=O)[O-])oc2c1C(=NNc1ccccc1[N+](=O)[O-])CCC2 ZINC000915933785 1319564975 /nfs/dbraw/zinc/56/49/75/1319564975.db2.gz IIWLMNOJNWXJAU-UHFFFAOYSA-N -1 0 329.312 3.347 20 30 EGEDRM CCC(=O)Nc1cccc(C/N=C/c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000915983096 1319579716 /nfs/dbraw/zinc/57/97/16/1319579716.db2.gz PSTKMHNAZZWAKN-WOJGMQOQSA-N -1 0 327.340 3.268 20 30 EGEDRM CCC(=NNc1nnc(C)c(=O)[n-]1)c1ccc2cc(OC)ccc2c1 ZINC000916280103 1319631240 /nfs/dbraw/zinc/63/12/40/1319631240.db2.gz WRFDACKGDFASFM-UHFFFAOYSA-N -1 0 337.383 3.274 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(COC(C)C)cc1 ZINC000916877451 1319718513 /nfs/dbraw/zinc/71/85/13/1319718513.db2.gz FLXIAYQVNYXANP-QGZVFWFLSA-N -1 0 330.428 3.240 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(Br)s1 ZINC000916878031 1319719003 /nfs/dbraw/zinc/71/90/03/1319719003.db2.gz ZTWOBDGKIDFZFI-SECBINFHSA-N -1 0 343.246 3.139 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)C(=O)NC2CCCCC2)c(C)n1C(C)C ZINC000916893576 1319721398 /nfs/dbraw/zinc/72/13/98/1319721398.db2.gz DSMFWRDJORJVFF-KRWDZBQOSA-N -1 0 329.444 3.457 20 30 EGEDRM N#CC(C(=O)NC1CC1)=C([O-])c1ccc2[nH]c3c(c2c1)CCCCC3 ZINC000916931042 1319726195 /nfs/dbraw/zinc/72/61/95/1319726195.db2.gz MLWIQVCOCIDPRB-INIZCTEOSA-N -1 0 335.407 3.038 20 30 EGEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1cc2c(cccc2F)s1 ZINC000917040197 1319742685 /nfs/dbraw/zinc/74/26/85/1319742685.db2.gz CYOYCKKVFTYSBY-LBPRGKRZSA-N -1 0 330.384 3.422 20 30 EGEDRM CC(=NN[C@H](C)c1ccncc1)c1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000819819420 1319790845 /nfs/dbraw/zinc/79/08/45/1319790845.db2.gz ZFSKGQHRIMVLSH-OCCSQVGLSA-N -1 0 327.384 3.008 20 30 EGEDRM CC(=NN[C@@H](C)c1ccncc1)c1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000819819418 1319791441 /nfs/dbraw/zinc/79/14/41/1319791441.db2.gz ZFSKGQHRIMVLSH-GXTWGEPZSA-N -1 0 327.384 3.008 20 30 EGEDRM C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000819937764 1319807759 /nfs/dbraw/zinc/80/77/59/1319807759.db2.gz XKQVINVGEGVQQX-UHFFFAOYSA-N -1 0 342.269 3.462 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(-c2cnco2)cc1 ZINC000918485728 1319955364 /nfs/dbraw/zinc/95/53/64/1319955364.db2.gz WUEZMDWZNDHDBH-INIZCTEOSA-N -1 0 339.395 3.361 20 30 EGEDRM COc1ccc(C(=O)/C=C/c2ccc3oncc3c2)cc1CC(=O)[O-] ZINC000821032282 1319995493 /nfs/dbraw/zinc/99/54/93/1319995493.db2.gz RSIRYBLACFDMCJ-GORDUTHDSA-N -1 0 337.331 3.360 20 30 EGEDRM C=CCC[C@H](NC(=O)/C=C(/C)c1ccccc1OC(F)F)C(=O)[O-] ZINC000823368946 1320172497 /nfs/dbraw/zinc/17/24/97/1320172497.db2.gz FJCCTQNJNCKLIJ-OEYXZAGESA-N -1 0 339.338 3.227 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@@H]2CC[C@H](C)[C@@H](C)C2)n1 ZINC000837824200 1320689081 /nfs/dbraw/zinc/68/90/81/1320689081.db2.gz IXMJZANAPKTNAJ-CDGCEXEKSA-N -1 0 334.441 3.243 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])c(/C=N\[C@@H]2CCO[C@H](c3ccncc3)C2)c1 ZINC000840708949 1321132415 /nfs/dbraw/zinc/13/24/15/1321132415.db2.gz JURRVROOOBFVDF-QCLBZORBSA-N -1 0 327.340 3.035 20 30 EGEDRM N#Cc1cccc([N-]S(=O)(=O)c2ccc(OC3CCCC3)cc2)n1 ZINC000842820907 1321435753 /nfs/dbraw/zinc/43/57/53/1321435753.db2.gz JRZRVWMENHVQNX-UHFFFAOYSA-N -1 0 343.408 3.075 20 30 EGEDRM Cc1nc(C([O-])=C(C#N)c2nc(C3CC3)cs2)nn1-c1ccccc1 ZINC000842942106 1321451616 /nfs/dbraw/zinc/45/16/16/1321451616.db2.gz NCRJWDNEEYSHHQ-AWEZNQCLSA-N -1 0 349.419 3.400 20 30 EGEDRM CC(C)Cn1nccc1/C=C\C(=O)c1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000843268312 1321496463 /nfs/dbraw/zinc/49/64/63/1321496463.db2.gz HNRUFSSSEVAGTI-WBTMPAOCSA-N -1 0 342.395 3.287 20 30 EGEDRM CCCOc1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)c(C)c1 ZINC000849241768 1322100064 /nfs/dbraw/zinc/10/00/64/1322100064.db2.gz NAVRRIXYSJXOGJ-IWHGQQBYSA-N -1 0 328.364 3.012 20 30 EGEDRM CCCC[C@@](C)(F)C(=O)OCC([O-])=C(C#N)c1nc(C)cs1 ZINC000849847544 1322155444 /nfs/dbraw/zinc/15/54/44/1322155444.db2.gz YLCIDUYZEILBHJ-IAQYHMDHSA-N -1 0 326.393 3.089 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])C=C(C)c2ccco2)n1 ZINC000850794799 1322294535 /nfs/dbraw/zinc/29/45/35/1322294535.db2.gz PWVLFFVNPUYTED-PFEDMVJOSA-N -1 0 330.365 3.193 20 30 EGEDRM C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CC1(C#N)CCCCC1 ZINC000850852900 1322301331 /nfs/dbraw/zinc/30/13/31/1322301331.db2.gz ZNJSJWXYGMBNHZ-CQSZACIVSA-N -1 0 334.441 3.058 20 30 EGEDRM CCCCCCCC[C@H](C)C(=O)[N-]S(=O)(=O)C[C@@H]1CCCOC1 ZINC000851018593 1322324323 /nfs/dbraw/zinc/32/43/23/1322324323.db2.gz OYXUVBAJPYNALN-JKSUJKDBSA-N -1 0 347.521 3.246 20 30 EGEDRM CCCc1ccccc1S(=O)(=O)[N-]C(=O)CC1(C#N)CCCCC1 ZINC000851067748 1322330948 /nfs/dbraw/zinc/33/09/48/1322330948.db2.gz SBGLKPNVTVWPGT-UHFFFAOYSA-N -1 0 348.468 3.308 20 30 EGEDRM CC(C)C[C@H](CNc1cc(Br)cnc1C#N)CC(=O)[O-] ZINC000852912532 1323252629 /nfs/dbraw/zinc/25/26/29/1323252629.db2.gz SLDMLZUEOFDQAB-JTQLQIEISA-N -1 0 340.221 3.265 20 30 EGEDRM C=CCCO[N-]C(=O)[C@H](NC(=O)OC(C)(C)C)c1ccc(C)cc1 ZINC000856035042 1325441833 /nfs/dbraw/zinc/44/18/33/1325441833.db2.gz RDFBCBZMZUXKNO-OAHLLOKOSA-N -1 0 334.416 3.185 20 30 EGEDRM C=CC[C@H](NC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-])c1ccncc1 ZINC000929033228 1328492488 /nfs/dbraw/zinc/49/24/88/1328492488.db2.gz KXNJQKWJJJLLJT-IRXDYDNUSA-N -1 0 345.443 3.422 20 30 EGEDRM O=C([O-])c1cc(/C=C2/S/C(=N\C3CCCCC3)NC2=O)ccc1F ZINC000863181121 1329532308 /nfs/dbraw/zinc/53/23/08/1329532308.db2.gz VVAVMSMQHZFBJL-NTEUORMPSA-N -1 0 348.399 3.417 20 30 EGEDRM COc1cc(OC)c(C(=O)[O-])cc1/C=C\C(=O)c1cnn(C(C)C)c1 ZINC000863184723 1329532611 /nfs/dbraw/zinc/53/26/11/1329532611.db2.gz IGVPJONSEIVJKX-WAYWQWQTSA-N -1 0 344.367 3.076 20 30 EGEDRM COc1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc1C(C)(C)C ZINC000865213509 1329676373 /nfs/dbraw/zinc/67/63/73/1329676373.db2.gz BBFYWCFSJYQKKE-IWHGQQBYSA-N -1 0 342.391 3.221 20 30 EGEDRM N#Cc1cccc(OC2CCN(C(=O)c3cccc(F)c3[O-])CC2)c1 ZINC000932005385 1329778036 /nfs/dbraw/zinc/77/80/36/1329778036.db2.gz QLERHKHUSDLWEH-UHFFFAOYSA-N -1 0 340.354 3.087 20 30 EGEDRM N#CC1(NC(=O)c2cc(Cl)cc(Cl)c2[O-])CCSCC1 ZINC000935080987 1330027373 /nfs/dbraw/zinc/02/73/73/1330027373.db2.gz MYMRSPLSUUMCAX-UHFFFAOYSA-N -1 0 331.224 3.218 20 30 EGEDRM CCCCCCCCCCS(=O)(=O)[N-]c1scnc1C(N)=O ZINC001201834225 1369630809 /nfs/dbraw/zinc/63/08/09/1369630809.db2.gz LFMNGUKLQIWJAO-UHFFFAOYSA-N -1 0 347.506 3.124 20 30 EGEDRM N#CCC1CCN(Cc2cc(F)c([O-])c(Br)c2)CC1 ZINC001232633121 1376493309 /nfs/dbraw/zinc/49/33/09/1376493309.db2.gz FJUNXQGQYSAMSQ-UHFFFAOYSA-N -1 0 327.197 3.419 20 30 EGEDRM N#Cc1ncc(NC(=O)Cc2ccc([S-])cc2)cc1C(F)(F)F ZINC001183186348 1387274419 /nfs/dbraw/zinc/27/44/19/1387274419.db2.gz PNMRYFBTPBZHOR-UHFFFAOYSA-N -1 0 337.326 3.442 20 30 EGEDRM CC(C)(C)c1cnn2cc(NC(=O)CCC(=O)C3=CC=C[CH]3)cnc12 ZINC001184241207 1387418850 /nfs/dbraw/zinc/41/88/50/1387418850.db2.gz NXZHQOFYKZQBGD-UHFFFAOYSA-N -1 0 337.403 3.015 20 30 EGEDRM Cc1csc([N-]S(=O)(=O)c2ccc(-c3cnco3)cc2)c1C#N ZINC001185186692 1387640763 /nfs/dbraw/zinc/64/07/63/1387640763.db2.gz XNABPCONZYVUOI-UHFFFAOYSA-N -1 0 345.405 3.384 20 30 EGEDRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccsc2C#N)c1 ZINC001189577111 1367059571 /nfs/dbraw/zinc/05/95/71/1367059571.db2.gz LKQRMXZXNQYBNE-UHFFFAOYSA-N -1 0 328.802 3.083 20 30 EGEDRM Cc1nc2ccccc2cc1[N-]S(=O)(=O)c1cc(C#N)ccc1F ZINC001190615957 1367310221 /nfs/dbraw/zinc/31/02/21/1367310221.db2.gz FIUCFNATPUOKOA-UHFFFAOYSA-N -1 0 341.367 3.355 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(C3CCC3)nc2)c1 ZINC001190619639 1367310270 /nfs/dbraw/zinc/31/02/70/1367310270.db2.gz XHAVVGKESAOPJG-UHFFFAOYSA-N -1 0 331.372 3.161 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cccc3ncsc32)c1 ZINC001190647967 1367315152 /nfs/dbraw/zinc/31/51/52/1367315152.db2.gz ORMHRAZLIXUSQX-UHFFFAOYSA-N -1 0 333.369 3.108 20 30 EGEDRM C[C@H](C#N)c1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2F)cc1 ZINC001190648190 1367315449 /nfs/dbraw/zinc/31/54/49/1367315449.db2.gz VJWIUUAMVZUNMH-LLVKDONJSA-N -1 0 329.356 3.125 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc3cccnc3c2)c1 ZINC001190647805 1367315540 /nfs/dbraw/zinc/31/55/40/1367315540.db2.gz BDCVYVYGGSOQCL-UHFFFAOYSA-N -1 0 327.340 3.046 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(-c3ncco3)cc2)c1 ZINC001190656219 1367320381 /nfs/dbraw/zinc/32/03/81/1367320381.db2.gz VYGNOKGVPAXASI-UHFFFAOYSA-N -1 0 343.339 3.153 20 30 EGEDRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cccc(CC#N)c2)c1 ZINC001191192238 1367442958 /nfs/dbraw/zinc/44/29/58/1367442958.db2.gz HRWDIVKNRYNVRA-UHFFFAOYSA-N -1 0 337.404 3.410 20 30 EGEDRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(C#N)cc1C ZINC001191779946 1367583656 /nfs/dbraw/zinc/58/36/56/1367583656.db2.gz KULHWEQSYICZQD-UHFFFAOYSA-N -1 0 330.409 3.375 20 30 EGEDRM C[C@H](C#N)S(=O)(=O)[N-]c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001193150583 1367953779 /nfs/dbraw/zinc/95/37/79/1367953779.db2.gz HUBKFYMAARIFQR-ZCFIWIBFSA-N -1 0 346.252 3.378 20 30 EGEDRM CCc1cc2c(cc1CC)CC(NC(=O)c1ccc([O-])c(C#N)c1)C2 ZINC001193519394 1368052264 /nfs/dbraw/zinc/05/22/64/1368052264.db2.gz XVEJCYUYJWMSOK-UHFFFAOYSA-N -1 0 334.419 3.286 20 30 EGEDRM N#Cc1cccc(C(=O)NCCCc2cncc(C(F)(F)F)c2)c1[O-] ZINC001193635554 1368080538 /nfs/dbraw/zinc/08/05/38/1368080538.db2.gz WLFNVSCAPMXSAP-UHFFFAOYSA-N -1 0 349.312 3.040 20 30 EGEDRM N#Cc1ccc(NC(=O)c2ccc(F)c([O-])c2F)c2cccnc12 ZINC001193789689 1368116666 /nfs/dbraw/zinc/11/66/66/1368116666.db2.gz VQWSFAWQQCAIOA-UHFFFAOYSA-N -1 0 325.274 3.343 20 30 EGEDRM CNc1ccc(C#N)cc1NC(=O)c1c([O-])c(F)c(F)c(F)c1F ZINC001195302335 1368417070 /nfs/dbraw/zinc/41/70/70/1368417070.db2.gz DTTMRQWVHYCZNL-UHFFFAOYSA-N -1 0 339.248 3.114 20 30 EGEDRM N#CC12CCC(NC(=S)Nc3ccc(C(=O)[O-])cc3)(CC1)CC2 ZINC001197130900 1368750912 /nfs/dbraw/zinc/75/09/12/1368750912.db2.gz OEJQOLMHVHHZAP-UHFFFAOYSA-N -1 0 329.425 3.288 20 30 EGEDRM N#Cc1c(F)c(Cl)ccc1[N-]S(=O)(=O)c1cccc(Cl)n1 ZINC001198237971 1368986575 /nfs/dbraw/zinc/98/65/75/1368986575.db2.gz NYRHVFXEYURVDB-UHFFFAOYSA-N -1 0 346.170 3.200 20 30 EGEDRM COc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2C#N)ccc1F ZINC001200509590 1369383761 /nfs/dbraw/zinc/38/37/61/1369383761.db2.gz IRCNPTOBVFDPKY-UHFFFAOYSA-N -1 0 340.763 3.160 20 30 EGEDRM C#CCCCCC(=O)N(CCC)Cc1nc(=O)c2sccc2[n-]1 ZINC001116460985 1370917474 /nfs/dbraw/zinc/91/74/74/1370917474.db2.gz CGUBWZHMINMHCA-UHFFFAOYSA-N -1 0 331.441 3.329 20 30 EGEDRM C=CC[C@H](NC(=O)C[C@H](C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC001116922731 1371001456 /nfs/dbraw/zinc/00/14/56/1371001456.db2.gz ZUMFYIDRJOBSJU-GWCFXTLKSA-N -1 0 329.318 3.345 20 30 EGEDRM CC(C)([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)C1CCCCC1 ZINC001209195203 1372034310 /nfs/dbraw/zinc/03/43/10/1372034310.db2.gz ONZOYVYVZYBTQO-UHFFFAOYSA-N -1 0 342.411 3.474 20 30 EGEDRM CC(C)c1ccc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)cn1 ZINC001122499808 1372260596 /nfs/dbraw/zinc/26/05/96/1372260596.db2.gz KSWDAMHGNHDNST-AWEZNQCLSA-N -1 0 331.379 3.220 20 30 EGEDRM Cc1cc(S(=O)(=O)[O-])c(Nc2ccc(O)c(C#N)c2)cc1Cl ZINC001210532269 1372372953 /nfs/dbraw/zinc/37/29/53/1372372953.db2.gz DRELGSYKYDWOAK-UHFFFAOYSA-N -1 0 338.772 3.216 20 30 EGEDRM N#Cc1cc(F)cc([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)c1 ZINC001187960896 1388198648 /nfs/dbraw/zinc/19/86/48/1388198648.db2.gz JGQHXPGUQNGLJD-UHFFFAOYSA-N -1 0 346.170 3.200 20 30 EGEDRM COC(=O)c1cc(C#N)cc(C)c1Nc1ccc(C(=O)[O-])c(F)c1F ZINC001212516612 1372718691 /nfs/dbraw/zinc/71/86/91/1372718691.db2.gz IWQDFBODQVZXOE-UHFFFAOYSA-N -1 0 346.289 3.373 20 30 EGEDRM N#CCOc1ccc(Nc2ccc(S(=O)(=O)[O-])cc2Cl)cc1 ZINC001212611038 1372737227 /nfs/dbraw/zinc/73/72/27/1372737227.db2.gz APOWGEYGZHWXQD-UHFFFAOYSA-N -1 0 338.772 3.233 20 30 EGEDRM C=CCC1(C(=O)Nc2cccc(-n3ccc(C(=O)[O-])n3)c2)CCC1 ZINC001326503197 1388222126 /nfs/dbraw/zinc/22/21/26/1388222126.db2.gz UBPXICBAAQXZML-UHFFFAOYSA-N -1 0 325.368 3.255 20 30 EGEDRM COc1cc(C#N)ccc1Nc1ccc(NC(=O)CCC(=O)[O-])cc1 ZINC001213189952 1372856481 /nfs/dbraw/zinc/85/64/81/1372856481.db2.gz OYXSXNSKESERLS-UHFFFAOYSA-N -1 0 339.351 3.114 20 30 EGEDRM N#Cc1cc(F)c(Nc2ccc(NC(=O)CCC(=O)[O-])cc2)cc1F ZINC001213187456 1372856539 /nfs/dbraw/zinc/85/65/39/1372856539.db2.gz QLUPZAQKLLFMQF-UHFFFAOYSA-N -1 0 345.305 3.383 20 30 EGEDRM N#Cc1cc(F)ccc1Nc1ccc(NC(=O)CCC(=O)[O-])cc1 ZINC001213191479 1372856894 /nfs/dbraw/zinc/85/68/94/1372856894.db2.gz BOZUHSBUMMCUEC-UHFFFAOYSA-N -1 0 327.315 3.244 20 30 EGEDRM CNc1ccc(C#N)cc1Nc1ccc(NC(=O)CCC(=O)[O-])cc1 ZINC001213194199 1372857272 /nfs/dbraw/zinc/85/72/72/1372857272.db2.gz GMRINWGKEADAQW-UHFFFAOYSA-N -1 0 338.367 3.147 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)s1 ZINC001188048047 1388228192 /nfs/dbraw/zinc/22/81/92/1388228192.db2.gz SLEKKORMDUODIZ-UHFFFAOYSA-N -1 0 334.209 3.122 20 30 EGEDRM COC(=O)c1scc(C#N)c1Nc1ccc(CCC(=O)[O-])cc1 ZINC001213623561 1372935955 /nfs/dbraw/zinc/93/59/55/1372935955.db2.gz SDQPAVKYVOVGEH-UHFFFAOYSA-N -1 0 330.365 3.167 20 30 EGEDRM N#CCc1ccccc1[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC001188071036 1388235136 /nfs/dbraw/zinc/23/51/36/1388235136.db2.gz HXLXOIQBAQTIGJ-UHFFFAOYSA-N -1 0 342.207 3.255 20 30 EGEDRM C[Si](C)(C)C#Cc1ncccc1Nc1cnc(F)c(C(=O)[O-])c1 ZINC001215101967 1373169755 /nfs/dbraw/zinc/16/97/55/1373169755.db2.gz RXRAHJUUTLRVKK-UHFFFAOYSA-N -1 0 329.407 3.286 20 30 EGEDRM N#Cc1c(Br)cccc1Nc1cnc(F)c(C(=O)[O-])c1 ZINC001215111469 1373171500 /nfs/dbraw/zinc/17/15/00/1373171500.db2.gz SYEHSLIAOGOZOU-UHFFFAOYSA-N -1 0 336.120 3.297 20 30 EGEDRM C/C(=N\C#N)N(C)Cc1ccc(-c2c(F)cc(C(=O)[O-])cc2F)nc1 ZINC001222379969 1373829375 /nfs/dbraw/zinc/82/93/75/1373829375.db2.gz LQVDVCVXYMMWHO-LSHDLFTRSA-N -1 0 344.321 3.056 20 30 EGEDRM C=CC[C@H](NC(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC001326931956 1388353794 /nfs/dbraw/zinc/35/37/94/1388353794.db2.gz WOZWOQFMTBPLSK-CABZTGNLSA-N -1 0 330.306 3.095 20 30 EGEDRM C[C@@H](Oc1[n-]c(=O)c(F)cc1C#N)c1cccc(Br)n1 ZINC001226014470 1375190567 /nfs/dbraw/zinc/19/05/67/1375190567.db2.gz XSJBOBIRMFMQHB-SSDOTTSWSA-N -1 0 338.136 3.095 20 30 EGEDRM N#Cc1c(OC[C@H]2Cc3ccccc3O2)[n-]c(=O)cc1C(F)(F)F ZINC001226063570 1375198666 /nfs/dbraw/zinc/19/86/66/1375198666.db2.gz JFNBPAFCJZBPBL-SNVBAGLBSA-N -1 0 336.269 3.060 20 30 EGEDRM C=CC[C@H](NC(=O)COc1ccc(Cl)c2ccccc12)C(=O)[O-] ZINC001327014434 1388365362 /nfs/dbraw/zinc/36/53/62/1388365362.db2.gz VABWNDGXBGVAKX-AWEZNQCLSA-N -1 0 333.771 3.018 20 30 EGEDRM C=C[C@@]1(C)CC[C@H](C(C)(C)Oc2n[n-]c(=O)cc2Br)O1 ZINC001226849173 1375345713 /nfs/dbraw/zinc/34/57/13/1375345713.db2.gz LWDRCESZJJXRPI-YGRLFVJLSA-N -1 0 343.221 3.226 20 30 EGEDRM C=C[C@@H](CC)Oc1c([O-])c(C(=O)OCC)sc1C(=O)OCC ZINC001227493545 1375437979 /nfs/dbraw/zinc/43/79/79/1375437979.db2.gz ITHXVIAUZSTJCK-VIFPVBQESA-N -1 0 328.386 3.151 20 30 EGEDRM C#C[C@@H](CC(C)C)Oc1cc2cc(S(=O)(=O)[O-])ccc2cc1O ZINC001227638931 1375458186 /nfs/dbraw/zinc/45/81/86/1375458186.db2.gz CXLYFYYZYBDZDU-AWEZNQCLSA-N -1 0 334.393 3.219 20 30 EGEDRM C#C[C@H](C)Oc1cc(OC)ccc1C(=O)c1ccc(OC)cc1[O-] ZINC001228112074 1375519294 /nfs/dbraw/zinc/51/92/94/1375519294.db2.gz FHPNDLMHXZTJFB-LBPRGKRZSA-N -1 0 326.348 3.041 20 30 EGEDRM Cc1cc2nc3nc(=O)[n-]c(OC4CCC(C#N)CC4)c3nc2cc1C ZINC001228685299 1375639475 /nfs/dbraw/zinc/63/94/75/1375639475.db2.gz DMYHWXATMUHSLM-UHFFFAOYSA-N -1 0 349.394 3.357 20 30 EGEDRM C=C[C@@H](CCCCCC)OC1=C([O-])C(C(=O)OC)N=C1C(=O)OC ZINC001234353593 1376815830 /nfs/dbraw/zinc/81/58/30/1376815830.db2.gz BVOJVRZXJDIBHQ-NSHDSACASA-N -1 0 339.388 3.197 20 30 EGEDRM C=CC[C@H](NC(=O)[C@@H](CC)Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001327984091 1388639135 /nfs/dbraw/zinc/63/91/35/1388639135.db2.gz BMTDHQDKRWZRJP-JSGCOSHPSA-N -1 0 343.345 3.420 20 30 EGEDRM N#Cc1ccc(F)c(C(=O)Nc2ccc(Br)c([O-])c2)c1 ZINC001154321153 1380254974 /nfs/dbraw/zinc/25/49/74/1380254974.db2.gz CNFNCASAYNCSRP-UHFFFAOYSA-N -1 0 335.132 3.418 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1Nc1cc(OC)c(OC)cc1C#N ZINC001174678193 1385133071 /nfs/dbraw/zinc/13/30/71/1385133071.db2.gz ZTIGDPCBJCUUFG-UHFFFAOYSA-N -1 0 328.324 3.026 20 30 EGEDRM CCOC(=O)c1cc(C#N)c(Nc2ccc(C(=O)[O-])s2)c(C)c1O ZINC001174809630 1385151859 /nfs/dbraw/zinc/15/18/59/1385151859.db2.gz NTHIWAHICXDMHQ-UHFFFAOYSA-N -1 0 346.364 3.252 20 30 EGEDRM CC(C)(O)C#Cc1cccc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC001176681268 1385657657 /nfs/dbraw/zinc/65/76/57/1385657657.db2.gz ZOPRVZCMIQHSLS-UHFFFAOYSA-N -1 0 340.335 3.159 20 30 EGEDRM CON=C(C(=O)Nc1ccc2[n-]c(=S)sc2c1)c1ccco1 ZINC001177352045 1385925403 /nfs/dbraw/zinc/92/54/03/1385925403.db2.gz DWDHMNMYCLZCSW-ATVHPVEESA-N -1 0 333.394 3.167 20 30 EGEDRM Cc1cccc(S(=O)(=O)[N-]c2ccn(C3CCCCC3)n2)c1C#N ZINC001321169694 1386829147 /nfs/dbraw/zinc/82/91/47/1386829147.db2.gz MKBMNXBHVRWYHM-UHFFFAOYSA-N -1 0 344.440 3.369 20 30 EGEDRM N#CCOc1ccc([N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)cc1 ZINC001321283470 1386867130 /nfs/dbraw/zinc/86/71/30/1386867130.db2.gz FBJTXWPHVNMNMI-UHFFFAOYSA-N -1 0 345.355 3.010 20 30 EGEDRM C=CCN(C)C(=O)c1cc(Br)cc(Br)c1[O-] ZINC001336369228 1389081417 /nfs/dbraw/zinc/08/14/17/1389081417.db2.gz KYELQURITAACML-UHFFFAOYSA-N -1 0 349.022 3.175 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)N(c2ccccc2)[C@@H]2C[C@H]2C)cc1C#N ZINC001338198824 1389582514 /nfs/dbraw/zinc/58/25/14/1389582514.db2.gz JJTBMLQFKQPQRP-IAQYHMDHSA-N -1 0 339.420 3.436 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)N(c2ccccc2)[C@H]2C[C@@H]2C)cc1C#N ZINC001338198826 1389582836 /nfs/dbraw/zinc/58/28/36/1389582836.db2.gz JJTBMLQFKQPQRP-NHYWBVRUSA-N -1 0 339.420 3.436 20 30 EGEDRM CC(C)=CCC[C@H](C)CC(=O)[N-]S(=O)(=O)c1ccccc1C#N ZINC001332324026 1390087088 /nfs/dbraw/zinc/08/70/88/1390087088.db2.gz HHSWBUVPLCSDKF-AWEZNQCLSA-N -1 0 334.441 3.136 20 30 EGEDRM C#CC[C@H](NC(=O)N1CCCC[C@@H]1CCC(=O)[O-])c1ccccc1 ZINC001339859242 1390177238 /nfs/dbraw/zinc/17/72/38/1390177238.db2.gz VAMQOYVXJOSBFN-SJORKVTESA-N -1 0 328.412 3.180 20 30 EGEDRM C=C(C)Cn1c(-c2c[n-]n(CC)c2=O)nnc1N1CCC[C@H]1CCC ZINC001342257706 1390592094 /nfs/dbraw/zinc/59/20/94/1390592094.db2.gz LPOYXMMFHYNBGP-CQSZACIVSA-N -1 0 344.463 3.212 20 30 EGEDRM CC(C)c1cccc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)n1 ZINC001343355557 1390709244 /nfs/dbraw/zinc/70/92/44/1390709244.db2.gz SOGUOTOJNOXKTB-CYBMUJFWSA-N -1 0 331.379 3.220 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)C(=O)NC2CCCCC2)c(C)n1CC1CC1 ZINC001343367732 1390709554 /nfs/dbraw/zinc/70/95/54/1390709554.db2.gz VBSZIVDZIPWWAB-GOSISDBHSA-N -1 0 341.455 3.286 20 30 EGEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc(-c2cccs2)s1 ZINC001344616414 1390803416 /nfs/dbraw/zinc/80/34/16/1390803416.db2.gz HYBTXRZEAOXTHE-JTQLQIEISA-N -1 0 341.417 3.415 20 30 EGEDRM O=C(C=Cc1cc(F)c(F)cc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000822923580 1428741535 /nfs/dbraw/zinc/74/15/35/1428741535.db2.gz SYKUWBYDUKGYNF-PLNGDYQASA-N -1 0 330.269 3.180 20 30 EGEDRM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1ccc(F)cc1F ZINC000823503890 1428945574 /nfs/dbraw/zinc/94/55/74/1428945574.db2.gz KBJMDRVESDBJJW-WQLSENKSSA-N -1 0 338.317 3.357 20 30 EGEDRM O=C(C=Cc1ccc(OC(F)F)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000826400977 1429309389 /nfs/dbraw/zinc/30/93/89/1429309389.db2.gz MITFKXNSQHZWBC-ZZXKWVIFSA-N -1 0 348.334 3.426 20 30 EGEDRM CC(=NNCc1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823953923 1429395805 /nfs/dbraw/zinc/39/58/05/1429395805.db2.gz VRPNPLFBJGBNIM-UHFFFAOYSA-N -1 0 344.781 3.173 20 30 EGEDRM C=C[C@@H](CC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000823883509 1424354630 /nfs/dbraw/zinc/35/46/30/1424354630.db2.gz RQYKEVLIKJQLAW-INIZCTEOSA-N -1 0 347.422 3.185 20 30 EGEDRM CCc1ccc(C(C)N=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)o1 ZINC000821476896 1424529416 /nfs/dbraw/zinc/52/94/16/1424529416.db2.gz SZRYJEJWWBWZMM-UHFFFAOYSA-N -1 0 343.391 3.144 20 30 EGEDRM N#Cc1ccc(SCc2ccc(F)c(-c3nn[n-]n3)c2)c(F)c1 ZINC000822832716 1425022830 /nfs/dbraw/zinc/02/28/30/1425022830.db2.gz FBFYMJNJXLIRBU-UHFFFAOYSA-N -1 0 329.335 3.309 20 30 EGEDRM CC(C)(C#N)C(=O)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000819891627 1425929537 /nfs/dbraw/zinc/92/95/37/1425929537.db2.gz DXRKOVQAPHDBBA-UHFFFAOYSA-N -1 0 349.350 3.114 20 30 EGEDRM N#Cc1ccc(C2=CC[N@H+](Cc3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000826384586 1425976119 /nfs/dbraw/zinc/97/61/19/1425976119.db2.gz BGQIQXSDNFXJLK-UHFFFAOYSA-N -1 0 342.406 3.028 20 30 EGEDRM Cc1ccc(F)c(N=NCc2c[nH]c3ccc(-c4nn[n-]n4)cc23)c1 ZINC000822239864 1426284738 /nfs/dbraw/zinc/28/47/38/1426284738.db2.gz IGEURIIWFAEFKC-UHFFFAOYSA-N -1 0 335.346 3.242 20 30 EGEDRM C[C@H]1C[C@@H](C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)CC(C)(C)C1 ZINC000824865390 1426324656 /nfs/dbraw/zinc/32/46/56/1426324656.db2.gz IFQQDGVWFXPBGG-WCQYABFASA-N -1 0 338.415 3.139 20 30 EGEDRM C[C@H](Nc1nc2ccccc2cc1-c1nn[n-]n1)c1ccc(C#N)cc1 ZINC000820462501 1427661405 /nfs/dbraw/zinc/66/14/05/1427661405.db2.gz YABYOAUTMXPJQE-LBPRGKRZSA-N -1 0 341.378 3.460 20 30 EGEDRM COc1ccc(NN=C(C)c2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000826210467 1441766386 /nfs/dbraw/zinc/76/63/86/1441766386.db2.gz SQOVMAJGCSJVFJ-UHFFFAOYSA-N -1 0 342.790 3.365 20 30 EGEDRM N#Cc1ccc(Sc2ncccc2-c2nn[n-]n2)cc1C(F)(F)F ZINC000826386109 1441781343 /nfs/dbraw/zinc/78/13/43/1441781343.db2.gz PGEPDJRTOVLZAI-UHFFFAOYSA-N -1 0 348.313 3.303 20 30 EGEDRM Cc1cc(F)ccc1C(=O)C=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000822204408 1442107362 /nfs/dbraw/zinc/10/73/62/1442107362.db2.gz OCRMNOFZVZSMHF-DAXSKMNVSA-N -1 0 326.306 3.349 20 30 EGEDRM COc1ccc2[nH]cc(C(=O)C=Cc3ccc(-c4nn[n-]n4)cc3)c2c1 ZINC000737113825 1442119899 /nfs/dbraw/zinc/11/98/99/1442119899.db2.gz GWENCPJFEUKORQ-WTKPLQERSA-N -1 0 345.362 3.253 20 30 EGEDRM C#CCCCCNC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000819693897 1443136157 /nfs/dbraw/zinc/13/61/57/1443136157.db2.gz YGYHHTFWNFWBIZ-UHFFFAOYSA-N -1 0 345.406 3.067 20 30 EGEDRM O=C(C=Cc1cnc(C2CCC2)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000822934720 1443313564 /nfs/dbraw/zinc/31/35/64/1443313564.db2.gz CYWPVMKMBJKZSY-FPLPWBNLSA-N -1 0 337.408 3.487 20 30 EGEDRM CCC(=NNc1ccc(-c2nn[n-]n2)cc1)c1cc(F)ccc1F ZINC000820833462 1443521347 /nfs/dbraw/zinc/52/13/47/1443521347.db2.gz XYSYZVKVGOHNCY-UHFFFAOYSA-N -1 0 328.326 3.371 20 30 EGEDRM N#Cc1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)s1 ZINC000822825690 1443535395 /nfs/dbraw/zinc/53/53/95/1443535395.db2.gz LNIDZNQZEXRWPK-DHZHZOJOSA-N -1 0 333.376 3.012 20 30 EGEDRM N#CCOc1ccc(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000737698335 1443667636 /nfs/dbraw/zinc/66/76/36/1443667636.db2.gz XJVDYDUQVNOFAB-UHFFFAOYSA-N -1 0 340.774 3.035 20 30 EGEDRM CN(CC#Cc1ccccc1Cl)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000825888265 1443815710 /nfs/dbraw/zinc/81/57/10/1443815710.db2.gz PIPGFZTUHFCAKA-UHFFFAOYSA-N -1 0 337.814 3.004 20 30 EGEDRM CCCn1c2ccc(C#N)cc2nc1-c1ccc(-c2nn[n-]n2)cc1F ZINC000825352242 1443940628 /nfs/dbraw/zinc/94/06/28/1443940628.db2.gz KUBVVEGCFKKYLV-UHFFFAOYSA-N -1 0 347.357 3.304 20 30 EGEDRM Clc1cc(Cl)cc(C=NNCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822567551 1446542182 /nfs/dbraw/zinc/54/21/82/1446542182.db2.gz DDGBHYKSKNKVMJ-UHFFFAOYSA-N -1 0 347.209 3.297 20 30 EGEDRM Cc1cc(C)c2c(c1)C(=O)C(=Cc1ccc(-c3nn[n-]n3)s1)CO2 ZINC000822195537 1446551167 /nfs/dbraw/zinc/55/11/67/1446551167.db2.gz VFPSOOKPHBBDMV-YRNVUSSQSA-N -1 0 338.392 3.204 20 30 EGEDRM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC(C)Cc2ccsc2)o1 ZINC000736066244 1446734425 /nfs/dbraw/zinc/73/44/25/1446734425.db2.gz MGOSLCPQODUGJW-UHFFFAOYSA-N -1 0 345.432 3.145 20 30 EGEDRM C=CCCO[C@H](C)C(=O)N[C@](CC)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000262165950 939061414 /nfs/dbraw/zinc/06/14/14/939061414.db2.gz QCJZMDLKGUSPOZ-PXAZEXFGSA-N -1 0 339.819 3.127 20 30 EGEDRM C#CCCCNC(=O)N[C@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000909028670 939371841 /nfs/dbraw/zinc/37/18/41/939371841.db2.gz USNNXISOSWHXHV-HNNXBMFYSA-N -1 0 343.210 3.006 20 30 EGEDRM C#CCCCCC(=O)N[C@@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000911063729 939769696 /nfs/dbraw/zinc/76/96/96/939769696.db2.gz NAVPKKDVVIVASK-CQSZACIVSA-N -1 0 327.302 3.141 20 30 EGEDRM C=CCCC(C)(C)CNC(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC001602718921 971379667 /nfs/dbraw/zinc/37/96/67/971379667.db2.gz GETDKMBFZCXEAK-IBGZPJMESA-N -1 0 332.444 3.321 20 30 EGEDRM CC[C@H]1CCc2c(sc(NC(=O)CSCC#N)c2C(=O)[O-])C1 ZINC001589622385 949432734 /nfs/dbraw/zinc/43/27/34/949432734.db2.gz DEWDIYYULGUROP-VIFPVBQESA-N -1 0 338.454 3.156 20 30 EGEDRM CCCC[C@H](ON=C(C)C)C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001589639933 949675771 /nfs/dbraw/zinc/67/57/71/949675771.db2.gz PZMJQFHIDPMYOX-BBWFWOEESA-N -1 0 346.427 3.387 20 30 EGEDRM CCN(C(=O)/C=C/c1ccc(C(=O)[O-])o1)[C@H](C)c1ccc(C#N)cc1 ZINC001589700863 950238669 /nfs/dbraw/zinc/23/86/69/950238669.db2.gz YWVPTSMILMOEMQ-YGNAEDSMSA-N -1 0 338.363 3.472 20 30 EGEDRM C[C@H](CN(C)C(=O)Nc1ccccc1SC[C@@H](C)C#N)C(=O)[O-] ZINC000263480370 950486666 /nfs/dbraw/zinc/48/66/66/950486666.db2.gz KQKNMHLDCYQUIE-NWDGAFQWSA-N -1 0 335.429 3.123 20 30 EGEDRM CC[C@]1(C(=O)[O-])CCCN(C(=O)c2ccccc2SCC#N)C1 ZINC000320500192 950989533 /nfs/dbraw/zinc/98/95/33/950989533.db2.gz XWTUNHPLPYNDOZ-KRWDZBQOSA-N -1 0 332.425 3.019 20 30 EGEDRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)c2c(Cl)cc(C#N)cc2Cl)C1 ZINC001589271744 953414135 /nfs/dbraw/zinc/41/41/35/953414135.db2.gz GLQPHMYTZIUVKT-SCZZXKLOSA-N -1 0 341.194 3.048 20 30 EGEDRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)C1(c2ccc(C#N)cc2)CCCC1 ZINC001589299864 953684776 /nfs/dbraw/zinc/68/47/76/953684776.db2.gz OILVMOCNJZJUCE-GDBMZVCRSA-N -1 0 340.423 3.082 20 30 EGEDRM CC(C)[C@H](CNC(=O)c1ccccc1-c1ccccc1C#N)C(=O)[O-] ZINC001602983171 972004165 /nfs/dbraw/zinc/00/41/65/972004165.db2.gz IMHBWQBECXOWGQ-SFHVURJKSA-N -1 0 336.391 3.312 20 30 EGEDRM CCC(CC)(C(=O)[O-])C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC001589480435 954968770 /nfs/dbraw/zinc/96/87/70/954968770.db2.gz VUCKFNNJTUKZNA-UHFFFAOYSA-N -1 0 336.391 3.311 20 30 EGEDRM CCCCCCCS(=O)(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000846770613 955728969 /nfs/dbraw/zinc/72/89/69/955728969.db2.gz VPFQMQJFXYIFBP-MELADBBJSA-N -1 0 333.494 3.012 20 30 EGEDRM N#CC(C(=O)CCC(=O)[O-])c1nc2cc(C(F)(F)F)ccc2s1 ZINC001594602175 956142859 /nfs/dbraw/zinc/14/28/59/956142859.db2.gz ROAQTTMOUURBIX-QMMMGPOBSA-N -1 0 342.298 3.356 20 30 EGEDRM N#C[C@H](CCc1ccccc1)C(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21 ZINC001594602807 956152370 /nfs/dbraw/zinc/15/23/70/956152370.db2.gz ZJQZVOJWLFZAJY-FUHWJXTLSA-N -1 0 348.402 3.364 20 30 EGEDRM N#Cc1c[nH]c2cc(C(=O)N[C@@H]3C[C@H](C(=O)[O-])c4ccccc43)ccc12 ZINC001594614379 956230109 /nfs/dbraw/zinc/23/01/09/956230109.db2.gz SZJVJXGMAYBNIA-FUHWJXTLSA-N -1 0 345.358 3.083 20 30 EGEDRM N#Cc1cc(NC(=O)N[C@H](Cc2ccccc2)C(=O)[O-])ccc1C1CC1 ZINC001594616719 956243514 /nfs/dbraw/zinc/24/35/14/956243514.db2.gz YLZOAOJYDXAECA-GOSISDBHSA-N -1 0 349.390 3.253 20 30 EGEDRM N#Cc1ccsc1C(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC001594631404 956341991 /nfs/dbraw/zinc/34/19/91/956341991.db2.gz FKUICZDQEHDMMH-UHFFFAOYSA-N -1 0 340.404 3.338 20 30 EGEDRM CCOc1ccc(/C=C/C(=O)c2ccc(OCC(=O)[O-])cc2)cc1 ZINC000013344125 957029387 /nfs/dbraw/zinc/02/93/87/957029387.db2.gz GMCFAVWIQIWDON-LFYBBSHMSA-N -1 0 326.348 3.445 20 30 EGEDRM COc1ccc(C(=O)/C=C\c2ccc(OCC(=O)[O-])cc2)c(OC)c1 ZINC000035146057 957199721 /nfs/dbraw/zinc/19/97/21/957199721.db2.gz ZGKMVSQNQGRYFR-YHYXMXQVSA-N -1 0 342.347 3.063 20 30 EGEDRM Cc1cc(C(=O)[O-])cc(C(=O)Nc2ncccc2OCCCC#N)c1 ZINC001594289455 957814648 /nfs/dbraw/zinc/81/46/48/957814648.db2.gz XHWWGJSNLSTNMX-UHFFFAOYSA-N -1 0 339.351 3.023 20 30 EGEDRM C#C[C@@H](NC(=O)Cc1ccccc1C(=O)[O-])c1ccc(Cl)cc1 ZINC001588372100 957965429 /nfs/dbraw/zinc/96/54/29/957965429.db2.gz DBFRYVYDFSNBOJ-MRXNPFEDSA-N -1 0 327.767 3.071 20 30 EGEDRM C#CC[C@@H]1CCCN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)C1 ZINC001588391329 958021784 /nfs/dbraw/zinc/02/17/84/958021784.db2.gz FNOTWCLHKRYZRM-SNVBAGLBSA-N -1 0 338.766 3.445 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)Nc1ccc(Oc2ccccc2)cc1C ZINC001588413325 958159522 /nfs/dbraw/zinc/15/95/22/958159522.db2.gz ZBQBKXYVCPSMBN-UHFFFAOYSA-N -1 0 338.363 3.339 20 30 EGEDRM C#CCSCC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](CC)C2 ZINC001588433166 958293387 /nfs/dbraw/zinc/29/33/87/958293387.db2.gz LYNJQUKDGNYHTP-JTQLQIEISA-N -1 0 337.466 3.266 20 30 EGEDRM Cc1ccc(C#N)cc1NC(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001594342781 958308503 /nfs/dbraw/zinc/30/85/03/958308503.db2.gz VGZKFJUZFOOEFN-WBVHZDCISA-N -1 0 335.363 3.301 20 30 EGEDRM C#Cc1ccc(CNC(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)cc1 ZINC001588439450 958317516 /nfs/dbraw/zinc/31/75/16/958317516.db2.gz VTJWFIBBMDZHDD-UHFFFAOYSA-N -1 0 346.745 3.480 20 30 EGEDRM C=CCN(C(=O)[C@H]1CC[C@H]1C(=O)[O-])c1nc(-c2ccccc2)cs1 ZINC001588463255 958483376 /nfs/dbraw/zinc/48/33/76/958483376.db2.gz IOHXSNMDGAQWRH-UONOGXRCSA-N -1 0 342.420 3.440 20 30 EGEDRM C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001573328158 958496486 /nfs/dbraw/zinc/49/64/86/958496486.db2.gz CBKFCQKZOVXBQI-OXFYSEKESA-N -1 0 344.455 3.463 20 30 EGEDRM C=CC[C@@H]1CCCC[C@H]1NC(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC001573328156 958496729 /nfs/dbraw/zinc/49/67/29/958496729.db2.gz CBKFCQKZOVXBQI-MDYRTPRTSA-N -1 0 344.455 3.463 20 30 EGEDRM C=CCCN(OCc1ccccc1)C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001573328203 958496872 /nfs/dbraw/zinc/49/68/72/958496872.db2.gz COKUWGWTUPIGSB-UHFFFAOYSA-N -1 0 341.367 3.322 20 30 EGEDRM C=C[C@@H](CC)CC(=O)Nc1sc(C(=O)OCC)c(C)c1C(=O)[O-] ZINC001573329812 958513445 /nfs/dbraw/zinc/51/34/45/958513445.db2.gz NMFQOCNHQXBQBI-JTQLQIEISA-N -1 0 339.413 3.472 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc([C@H](F)C(F)(F)F)cc1 ZINC001588541956 958967566 /nfs/dbraw/zinc/96/75/66/958967566.db2.gz OUAKEEMYVANTDW-AAEUAGOBSA-N -1 0 332.253 3.203 20 30 EGEDRM Cc1ccc(C)c2c1OC/C(=C\c1ccc(OCC(=O)[O-])cc1)C2=O ZINC000141653082 958975312 /nfs/dbraw/zinc/97/53/12/958975312.db2.gz QCCUFYIYEZITQF-OQLLNIDSSA-N -1 0 338.359 3.426 20 30 EGEDRM C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001588545351 958994783 /nfs/dbraw/zinc/99/47/83/958994783.db2.gz RHGXCCSVDOKKKV-KBPBESRZSA-N -1 0 345.399 3.086 20 30 EGEDRM Cc1ccccc1C1(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])CCCCC1 ZINC001594417177 959013907 /nfs/dbraw/zinc/01/39/07/959013907.db2.gz XARQJRSBCQYJGQ-LJQANCHMSA-N -1 0 342.439 3.318 20 30 EGEDRM CC(C)Oc1ccc(NC(=O)/C=C\c2ccc(C(=O)[O-])o2)cc1C#N ZINC001573554806 959247847 /nfs/dbraw/zinc/24/78/47/959247847.db2.gz GJSJBKFYLPHHTN-YVMONPNESA-N -1 0 340.335 3.289 20 30 EGEDRM Cc1nc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)ccc1C#N ZINC001594447692 959344347 /nfs/dbraw/zinc/34/43/47/959344347.db2.gz URFCPEBGFUUFKA-UHFFFAOYSA-N -1 0 333.706 3.005 20 30 EGEDRM COc1cccc(/C=C\C(=O)c2ccc(OCC(=O)[O-])cc2)c1OC ZINC000213653385 959723471 /nfs/dbraw/zinc/72/34/71/959723471.db2.gz XKPVOUDSCPDGRC-FLIBITNWSA-N -1 0 342.347 3.063 20 30 EGEDRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2ccccc2-c2ccccc2C#N)C1 ZINC001573699975 959821700 /nfs/dbraw/zinc/82/17/00/959821700.db2.gz YGIKJEZVIUBEOL-GDBMZVCRSA-N -1 0 348.402 3.408 20 30 EGEDRM C[C@]1(C(=O)[O-])CCCN(c2ccc(C#N)c(Br)c2F)C1 ZINC000231842240 960211028 /nfs/dbraw/zinc/21/10/28/960211028.db2.gz AOSUADHLLLOAHJ-AWEZNQCLSA-N -1 0 341.180 3.151 20 30 EGEDRM CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001588748847 961207565 /nfs/dbraw/zinc/20/75/65/961207565.db2.gz AOQZZXUPKLBJAX-ZDUSSCGKSA-N -1 0 346.431 3.223 20 30 EGEDRM C=CCO[C@H]1CCN([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C1 ZINC001328744565 961223395 /nfs/dbraw/zinc/22/33/95/961223395.db2.gz OGGPJMSAILEFQR-KBPBESRZSA-N -1 0 330.211 3.396 20 30 EGEDRM Cc1ccc(NC(=S)NN=Cc2ccc(C(=O)[O-])cc2)c(C)c1 ZINC000254311792 961320660 /nfs/dbraw/zinc/32/06/60/961320660.db2.gz LVIAHJZJVSWACZ-UHFFFAOYSA-N -1 0 327.409 3.322 20 30 EGEDRM N#Cc1ccc(NC2CC2)c(NC(=O)Cc2ccccc2C(=O)[O-])c1 ZINC001574487933 961692591 /nfs/dbraw/zinc/69/25/91/961692591.db2.gz KOLWVRWVWCBMLD-UHFFFAOYSA-N -1 0 335.363 3.012 20 30 EGEDRM C#CC[C@H](NC(=O)c1ccccc1NCCC1=CCCCC1)C(=O)[O-] ZINC001573303847 962683583 /nfs/dbraw/zinc/68/35/83/962683583.db2.gz UAEFQHNBEQLECW-SFHVURJKSA-N -1 0 340.423 3.195 20 30 EGEDRM C#CCOc1ccc(COC(=O)c2ccc(NC(=O)[O-])cc2C)cc1 ZINC001573312287 962721779 /nfs/dbraw/zinc/72/17/79/962721779.db2.gz QVDHOYFAJISAAS-UHFFFAOYSA-N -1 0 339.347 3.454 20 30 EGEDRM C=C(C)C[C@H](NC(=O)c1c(Cl)cccc1OCC1CC1)C(=O)[O-] ZINC001573321435 962757962 /nfs/dbraw/zinc/75/79/62/962757962.db2.gz MXXGUGXYDXQIAI-ZDUSSCGKSA-N -1 0 337.803 3.278 20 30 EGEDRM C=CCC(F)(F)C(=O)Nc1cccc(C(=O)[O-])c1Br ZINC001573351985 962983176 /nfs/dbraw/zinc/98/31/76/962983176.db2.gz ZPMDJMFRAAQRJJ-UHFFFAOYSA-N -1 0 334.116 3.297 20 30 EGEDRM C=CCCC[C@H](NC(=O)C(C)(C)Cc1nc2ccccc2[nH]1)C(=O)[O-] ZINC001573356633 963009216 /nfs/dbraw/zinc/00/92/16/963009216.db2.gz FKBIGVAAJVNVJK-HNNXBMFYSA-N -1 0 343.427 3.057 20 30 EGEDRM N#Cc1cc(Br)cnc1NCc1cccc(C(=O)[O-])c1 ZINC000312391805 963559066 /nfs/dbraw/zinc/55/90/66/963559066.db2.gz CWXZFEVBFIKOAB-UHFFFAOYSA-N -1 0 332.157 3.026 20 30 EGEDRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC001594218154 970194487 /nfs/dbraw/zinc/19/44/87/970194487.db2.gz ANXXTCHCWNXOQV-FZKQIMNGSA-N -1 0 349.390 3.380 20 30 EGEDRM Cc1c2cc(C#N)ccc2sc1C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC001605076763 972706996 /nfs/dbraw/zinc/70/69/96/972706996.db2.gz DQDASPCDDKVILR-CYBMUJFWSA-N -1 0 342.420 3.408 20 30 EGEDRM Cc1ccc(C(=O)/C=C/C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])cc1 ZINC001605244969 973009323 /nfs/dbraw/zinc/00/93/23/973009323.db2.gz SCGLCRPBMYNQCS-BOLDSZDNSA-N -1 0 331.412 3.130 20 30 EGEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001591759124 975839399 /nfs/dbraw/zinc/83/93/99/975839399.db2.gz VIYMGJDXGZOFBY-UHFFFAOYSA-N -1 0 342.355 3.026 20 30 EGEDRM C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001592225534 977409353 /nfs/dbraw/zinc/40/93/53/977409353.db2.gz AGDCYNFFZVSSLH-SDDRHHMPSA-N -1 0 333.413 3.066 20 30 EGEDRM C[C@H]1CN(c2ccc(C#N)c(Br)c2F)C[C@]1(C)C(=O)[O-] ZINC000710222000 977495184 /nfs/dbraw/zinc/49/51/84/977495184.db2.gz PSRMZEVHBTYVIQ-RTHLEPHNSA-N -1 0 341.180 3.007 20 30 EGEDRM C[C@H](CN(Cc1ccccc1)c1nc(C#N)c(Cl)s1)C(=O)[O-] ZINC001592610048 978559289 /nfs/dbraw/zinc/55/92/89/978559289.db2.gz PZZIAUSXYZSZQU-SNVBAGLBSA-N -1 0 335.816 3.395 20 30 EGEDRM CC(CSc1ccccc1[N+](=O)[O-])N=Nc1ccc(C(=O)[O-])cn1 ZINC000765584775 978723681 /nfs/dbraw/zinc/72/36/81/978723681.db2.gz RODNKRSIIIPIQD-UHFFFAOYSA-N -1 0 346.368 3.268 20 30 EGEDRM CC1(C)C(N=Nc2ccc(C(=O)[O-])cn2)C[C@H]1Oc1ccccc1 ZINC000789032950 978797902 /nfs/dbraw/zinc/79/79/02/978797902.db2.gz AQONDAWHABKLDE-OAHLLOKOSA-N -1 0 325.368 3.425 20 30 EGEDRM C=CCCc1ccccc1NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000799928210 978845978 /nfs/dbraw/zinc/84/59/78/978845978.db2.gz SEQLOWMDLRZADP-UHFFFAOYSA-N -1 0 349.383 3.443 20 30 EGEDRM O=C([O-])c1ccc(N=NC2CCc3ccc(Br)cc32)nc1 ZINC000800815433 978847394 /nfs/dbraw/zinc/84/73/94/978847394.db2.gz YGCXNWIAIFBTAU-UHFFFAOYSA-N -1 0 346.184 3.305 20 30 EGEDRM COc1ccc(C=NNc2ccccc2C(=O)[O-])cc1OC(F)F ZINC000812444810 978870004 /nfs/dbraw/zinc/87/00/04/978870004.db2.gz GTKFHGOFIYLOCD-UHFFFAOYSA-N -1 0 336.294 3.441 20 30 EGEDRM C[C@@H](CC(=O)[O-])C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000827295342 978955159 /nfs/dbraw/zinc/95/51/59/978955159.db2.gz JGPCDRUZPHHMGN-NSHDSACASA-N -1 0 328.393 3.014 20 30 EGEDRM CC[C@H](CC(=O)N1CCC(C#N)(C(=O)[O-])CC1)c1ccc(C)cc1 ZINC001595033685 979178102 /nfs/dbraw/zinc/17/81/02/979178102.db2.gz PVQXKUZLWLIYOA-OAHLLOKOSA-N -1 0 328.412 3.096 20 30 EGEDRM O=C([O-])c1ccc(NN=Cc2cnc([C@@H]3CCCO3)s2)cc1F ZINC000835009833 979244146 /nfs/dbraw/zinc/24/41/46/979244146.db2.gz DXCCFFUJVCYIFO-ZDUSSCGKSA-N -1 0 335.360 3.278 20 30 EGEDRM C[C@H]1C(N=Nc2cccc(Br)n2)CC[C@@H]1CC(=O)[O-] ZINC000835023726 979245500 /nfs/dbraw/zinc/24/55/00/979245500.db2.gz OHIYEGZNMULQNV-RKDXNWHRSA-N -1 0 326.194 3.133 20 30 EGEDRM CC[C@H](CNC(=O)Nc1ccccc1S[C@H](C)CC#N)C(=O)[O-] ZINC001595154549 979659693 /nfs/dbraw/zinc/65/96/93/979659693.db2.gz OBVDNOZEGOHXDX-VXGBXAGGSA-N -1 0 335.429 3.313 20 30 EGEDRM CC[C@](CNc1cc(C#N)nc(C2CC2)n1)(C(=O)[O-])c1ccccc1 ZINC001595172923 979747489 /nfs/dbraw/zinc/74/74/89/979747489.db2.gz UTNWBWXVJWHDOH-LJQANCHMSA-N -1 0 336.395 3.070 20 30 EGEDRM C=C(C)C[C@H](NC(=O)C(F)(F)c1ccccc1OC(C)C)C(=O)[O-] ZINC000864187534 979833805 /nfs/dbraw/zinc/83/38/05/979833805.db2.gz MTRMAOSEWTXPNV-ZDUSSCGKSA-N -1 0 341.354 3.101 20 30 EGEDRM N#Cc1cnc2c(Cl)cccc2c1N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000900987639 980257562 /nfs/dbraw/zinc/25/75/62/980257562.db2.gz NJKFVQNWUKSZAQ-UONOGXRCSA-N -1 0 341.798 3.307 20 30 EGEDRM C#CCCCCC(=O)N(CC(=O)[O-])Cc1ccc(C(F)(F)F)cc1 ZINC000908908860 981387955 /nfs/dbraw/zinc/38/79/55/981387955.db2.gz PGVQAJDYEDBBFW-UHFFFAOYSA-N -1 0 341.329 3.312 20 30 EGEDRM CCC[C@](C)(NC(=O)c1cn(CCCC#N)c2ccccc12)C(=O)[O-] ZINC001595554445 981436673 /nfs/dbraw/zinc/43/66/73/981436673.db2.gz YGDDNXWMJHWUQR-IBGZPJMESA-N -1 0 341.411 3.318 20 30 EGEDRM CCCC[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)C(=O)[O-] ZINC001595644828 981981696 /nfs/dbraw/zinc/98/16/96/981981696.db2.gz DCHZNISODUPQAS-MRXNPFEDSA-N -1 0 343.427 3.325 20 30 EGEDRM C=CCCC[C@@H](NC(=O)Cc1nc(-c2ccsc2)oc1C)C(=O)[O-] ZINC000910914699 982162588 /nfs/dbraw/zinc/16/25/88/982162588.db2.gz NCKRVJBOXFRIPD-CYBMUJFWSA-N -1 0 348.424 3.180 20 30 EGEDRM C=CCCC[C@@H](NC(=O)[C@H](C)c1cn(C)c2ccccc12)C(=O)[O-] ZINC000910917768 982164445 /nfs/dbraw/zinc/16/44/45/982164445.db2.gz VIKXGRGNEJKUJM-CZUORRHYSA-N -1 0 328.412 3.208 20 30 EGEDRM CCCCCCCNS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F ZINC001595704646 982277868 /nfs/dbraw/zinc/27/78/68/982277868.db2.gz UVWBVNNWGGGDPL-UHFFFAOYSA-N -1 0 331.409 3.081 20 30 EGEDRM CC[C@@H](C)C[C@@H](NC(=O)C#Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001594937592 982601094 /nfs/dbraw/zinc/60/10/94/982601094.db2.gz WUFMLWMJXMWVDM-BXUZGUMPSA-N -1 0 341.329 3.063 20 30 EGEDRM C#C[C@H](Nc1nc(C(=O)[O-])ccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC001588376708 983353126 /nfs/dbraw/zinc/35/31/26/983353126.db2.gz WWEHUCSELXPAOB-NSHDSACASA-N -1 0 331.715 3.128 20 30 EGEDRM C#CC1(NC(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)CCCC1 ZINC001588380005 983366462 /nfs/dbraw/zinc/36/64/62/983366462.db2.gz XJOSPHLZMBZGBK-UHFFFAOYSA-N -1 0 341.411 3.053 20 30 EGEDRM C#C[C@@H]1CCCN(C(=O)Nc2cc(C(F)(F)F)ccc2C(=O)[O-])C1 ZINC001588383352 983380544 /nfs/dbraw/zinc/38/05/44/983380544.db2.gz WOCAJWZHOGPEAN-SNVBAGLBSA-N -1 0 340.301 3.281 20 30 EGEDRM C#CC[C@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2)c1)C(=O)[O-] ZINC001588416199 983436342 /nfs/dbraw/zinc/43/63/42/983436342.db2.gz KUSAJLGDZVTGQD-INIZCTEOSA-N -1 0 343.766 3.339 20 30 EGEDRM C#CC[C@H]1CCCN(C(=O)Nc2cccc(C(=O)[O-])c2OC(C)C)C1 ZINC001588433956 983468520 /nfs/dbraw/zinc/46/85/20/983468520.db2.gz DLLSHDZUJIGUCP-AWEZNQCLSA-N -1 0 344.411 3.439 20 30 EGEDRM C#CCOc1ccc(C(=O)Oc2ccc(C(=O)[O-])cc2Cl)cc1 ZINC001588497727 983541265 /nfs/dbraw/zinc/54/12/65/983541265.db2.gz XMTMVLGQXNYARB-UHFFFAOYSA-N -1 0 330.723 3.269 20 30 EGEDRM C#Cc1ccc(C(=O)Nc2cc(C(=O)[O-])cc(Cl)c2Cl)nc1 ZINC001588516440 983561269 /nfs/dbraw/zinc/56/12/69/983561269.db2.gz NCBJDTUWPSGBKZ-UHFFFAOYSA-N -1 0 335.146 3.320 20 30 EGEDRM C#Cc1ccccc1CC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001588529095 983579644 /nfs/dbraw/zinc/57/96/44/983579644.db2.gz PZACAISLOOWFLD-UHFFFAOYSA-N -1 0 331.730 3.340 20 30 EGEDRM C#Cc1ccccc1CC(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001588529377 983581060 /nfs/dbraw/zinc/58/10/60/983581060.db2.gz XVWPKGYASBIAOM-UHFFFAOYSA-N -1 0 331.730 3.340 20 30 EGEDRM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC001588534939 983587447 /nfs/dbraw/zinc/58/74/47/983587447.db2.gz DCJZGDNFEQNPQC-QRTARXTBSA-N -1 0 346.427 3.053 20 30 EGEDRM C=C(C)C[C@@H](C)C(=O)O[C@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001588536135 983592502 /nfs/dbraw/zinc/59/25/02/983592502.db2.gz PLZKNDATGVWIRI-CHWSQXEVSA-N -1 0 333.384 3.166 20 30 EGEDRM C=C(C)C[C@H](NC(=O)/C=C/Sc1cc(F)ccc1F)C(=O)[O-] ZINC001588541054 983606280 /nfs/dbraw/zinc/60/62/80/983606280.db2.gz RISWNXBVMQUOOI-FYJFLYSWSA-N -1 0 327.352 3.106 20 30 EGEDRM C=C(C)C[C@H](NC(=O)c1cc2ccc(C(F)(F)F)cc2[nH]1)C(=O)[O-] ZINC001588547322 983619436 /nfs/dbraw/zinc/61/94/36/983619436.db2.gz XPGHPWSLHJETRU-ZDUSSCGKSA-N -1 0 340.301 3.336 20 30 EGEDRM C=C(C)C[C@H](Nc1ccc([N+](=O)[O-])cc1Br)C(=O)[O-] ZINC001588554578 983631122 /nfs/dbraw/zinc/63/11/22/983631122.db2.gz KAXTVBAWBUQUJR-NSHDSACASA-N -1 0 329.150 3.189 20 30 EGEDRM C=C(C)CN(Cc1ccccc1)C(=O)NCC1(C(=O)[O-])CCCC1 ZINC001588567249 983646447 /nfs/dbraw/zinc/64/64/47/983646447.db2.gz GLYBKTNSAKBUOL-UHFFFAOYSA-N -1 0 330.428 3.419 20 30 EGEDRM C=C(CC(C)C)C(=O)N[C@@H](C(=O)[O-])c1ccccc1Br ZINC001588605509 983693212 /nfs/dbraw/zinc/69/32/12/983693212.db2.gz KHKWATFMXZBHCX-CYBMUJFWSA-N -1 0 340.217 3.293 20 30 EGEDRM C=C(CC(C)C)C(=O)N[C@H](C(=O)[O-])c1ccccc1OC(F)(F)F ZINC001588605887 983695139 /nfs/dbraw/zinc/69/51/39/983695139.db2.gz QHGCNVPFYNOPMK-ZDUSSCGKSA-N -1 0 345.317 3.429 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N(C)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001588607260 983700185 /nfs/dbraw/zinc/70/01/85/983700185.db2.gz XMPJPRARTILWBR-CVEARBPZSA-N -1 0 331.412 3.112 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N(CCCC)[C@H]1CCc2ncsc2C1 ZINC001588612246 983702174 /nfs/dbraw/zinc/70/21/74/983702174.db2.gz LODKWTWSLQYGKN-ZDUSSCGKSA-N -1 0 336.457 3.050 20 30 EGEDRM CCN(CC)c1ccnc(N=NCc2cc(C(=O)[O-])ccc2Cl)n1 ZINC001596292321 983712413 /nfs/dbraw/zinc/71/24/13/983712413.db2.gz JAJFZHGLJMPWTG-UHFFFAOYSA-N -1 0 347.806 3.120 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N[C@H](c1cccc(Cl)c1)c1ccccn1 ZINC001588622079 983721898 /nfs/dbraw/zinc/72/18/98/983721898.db2.gz OGWMFIQLFZAALR-QGZVFWFLSA-N -1 0 344.798 3.362 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)NCc1ccc(OC2CCCCC2)cc1 ZINC001588629484 983737803 /nfs/dbraw/zinc/73/78/03/983737803.db2.gz CBNDLNCWWMLZKL-UHFFFAOYSA-N -1 0 331.412 3.435 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(-n2cnc3ccccc32)cc1 ZINC001588629922 983740389 /nfs/dbraw/zinc/74/03/89/983740389.db2.gz XRXKKBOMIKBLNW-UHFFFAOYSA-N -1 0 335.363 3.385 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1cccc(CNC(=O)OC(C)(C)C)c1 ZINC001588634065 983751639 /nfs/dbraw/zinc/75/16/39/983751639.db2.gz QLDUNHOIUKCZBC-UHFFFAOYSA-N -1 0 348.399 3.071 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccccc1NC(=O)C[C@@H]1C=CCC1 ZINC001588634035 983751642 /nfs/dbraw/zinc/75/16/42/983751642.db2.gz PUVHXAXNVIWHOG-CQSZACIVSA-N -1 0 342.395 3.341 20 30 EGEDRM C=C[C@@H](C(=O)NC[C@@H](Cc1cccc(C)c1)C(=O)[O-])c1ccccc1 ZINC001588663517 983795478 /nfs/dbraw/zinc/79/54/78/983795478.db2.gz IPJSDVNNSLKXFZ-RTBURBONSA-N -1 0 337.419 3.324 20 30 EGEDRM C=CC(C)(C)CCCNC(=O)N(C)Cc1ccc(OCC(=O)[O-])cc1 ZINC001588672866 983827449 /nfs/dbraw/zinc/82/74/49/983827449.db2.gz BPUHQZSBKYSKFZ-UHFFFAOYSA-N -1 0 348.443 3.284 20 30 EGEDRM C=C[C@@H](Nc1cc(Cl)ccc1OC[C@@H]1CCCCO1)C(=O)[O-] ZINC001588702182 983918654 /nfs/dbraw/zinc/91/86/54/983918654.db2.gz LRSPJKIIHRZLHL-QWHCGFSZSA-N -1 0 325.792 3.339 20 30 EGEDRM C=CC1(CC(=O)N2[C@H]3C[C@H](C(=O)[O-])O[C@H]3CC[C@H]2C)CCCCC1 ZINC001588714334 983951240 /nfs/dbraw/zinc/95/12/40/983951240.db2.gz FVDLLXLBKBNXCN-FXUDXRNXSA-N -1 0 335.444 3.135 20 30 EGEDRM C=CC[C@H](C(=O)NCc1nc2cc(C(=O)[O-])ccc2[nH]1)c1ccccc1 ZINC001588721007 983971439 /nfs/dbraw/zinc/97/14/39/983971439.db2.gz KXEGABMTGLJUAF-HNNXBMFYSA-N -1 0 349.390 3.237 20 30 EGEDRM C=CC[C@@H](CC)NC(=O)C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC001588736063 984022796 /nfs/dbraw/zinc/02/27/96/984022796.db2.gz RCJRLEMVBSAOTC-LLVKDONJSA-N -1 0 346.408 3.009 20 30 EGEDRM C=CC[C@H](Cc1ccccc1)NC(=O)NCc1cc(C)c(C(=O)[O-])o1 ZINC001588744808 984045813 /nfs/dbraw/zinc/04/58/13/984045813.db2.gz QXBORJFQFWWKGQ-OAHLLOKOSA-N -1 0 342.395 3.273 20 30 EGEDRM C=CC[C@H](Cc1ccccc1)NC(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001588745066 984048815 /nfs/dbraw/zinc/04/88/15/984048815.db2.gz URCZDISQDCYAAG-CQSZACIVSA-N -1 0 327.384 3.032 20 30 EGEDRM C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCCc1ccccc1C(=O)[O-] ZINC001588771515 984140318 /nfs/dbraw/zinc/14/03/18/984140318.db2.gz WTCSRFRVWALFOP-WBVHZDCISA-N -1 0 330.428 3.361 20 30 EGEDRM C=CCCC(=O)N[C@@](C)(CC(=O)[O-])c1ccc(Br)cc1 ZINC001588774004 984150454 /nfs/dbraw/zinc/15/04/54/984150454.db2.gz OOLGKGAIKNSNKC-HNNXBMFYSA-N -1 0 340.217 3.221 20 30 EGEDRM C=CCC[C@H](C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1)c1ccccc1 ZINC001588777004 984155011 /nfs/dbraw/zinc/15/50/11/984155011.db2.gz QLRJZTWGWASQBC-DLBZAZTESA-N -1 0 327.424 3.450 20 30 EGEDRM C=CCC[C@@H](C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1)c1ccccc1 ZINC001588777005 984155055 /nfs/dbraw/zinc/15/50/55/984155055.db2.gz QLRJZTWGWASQBC-IAGOWNOFSA-N -1 0 327.424 3.450 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1ccncc1Oc1ccccc1)C(=O)[O-] ZINC001588792976 984214921 /nfs/dbraw/zinc/21/49/21/984214921.db2.gz JCFPPDUXRCFSKI-MRXNPFEDSA-N -1 0 340.379 3.413 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1cccc(-c2cscn2)c1)C(=O)[O-] ZINC001588793133 984216318 /nfs/dbraw/zinc/21/63/18/984216318.db2.gz LFULGHKNSYTVSX-AWEZNQCLSA-N -1 0 330.409 3.349 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1ccccc1NCC(F)(F)F)C(=O)[O-] ZINC001588793628 984220776 /nfs/dbraw/zinc/22/07/76/984220776.db2.gz VCPULSNKTZUCKA-ZDUSSCGKSA-N -1 0 344.333 3.200 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1csc(-c2ccc(O)cc2)n1)C(=O)[O-] ZINC001588798212 984234499 /nfs/dbraw/zinc/23/44/99/984234499.db2.gz XSQIFRPLOIRENT-CYBMUJFWSA-N -1 0 346.408 3.055 20 30 EGEDRM C=CCN(CC1CCCCC1)C(=O)Nc1cccc(CC(=O)[O-])n1 ZINC001588824251 984298353 /nfs/dbraw/zinc/29/83/53/984298353.db2.gz ZHFUJNYMPZHTMP-UHFFFAOYSA-N -1 0 331.416 3.309 20 30 EGEDRM C=CCN(CCC#N)C(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC001588826608 984304944 /nfs/dbraw/zinc/30/49/44/984304944.db2.gz MRUAVTPRSNNVJW-UHFFFAOYSA-N -1 0 333.413 3.187 20 30 EGEDRM C=CCN(CCc1ccccc1)C(=O)C1(C(=O)[O-])CC2(CCC2)C1 ZINC001588829008 984310819 /nfs/dbraw/zinc/31/08/19/984310819.db2.gz YCXIIVDUUYUSER-UHFFFAOYSA-N -1 0 327.424 3.279 20 30 EGEDRM C=CCN1C(=O)N[C@@H](c2cccc(-c3cccnc3)c2)C(C(=O)[O-])=C1C ZINC001588836791 984329474 /nfs/dbraw/zinc/32/94/74/984329474.db2.gz IAWCPPXDJJXGML-SFHVURJKSA-N -1 0 349.390 3.360 20 30 EGEDRM C=CCOc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc(C)c(C)c2)cc1 ZINC001588869612 984439894 /nfs/dbraw/zinc/43/98/94/984439894.db2.gz PNWOGWGRDMCDCM-SFHVURJKSA-N -1 0 339.391 3.424 20 30 EGEDRM C=CCOc1ccc(CC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)cc1 ZINC001588874169 984448089 /nfs/dbraw/zinc/44/80/89/984448089.db2.gz YZYAJPAFAADZPD-UHFFFAOYSA-N -1 0 347.317 3.409 20 30 EGEDRM C=CC[S@@](=O)(=NC(=O)Cc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC001588878777 984455052 /nfs/dbraw/zinc/45/50/52/984455052.db2.gz IBDHRRZHAIWRSZ-DEOSSOPVSA-N -1 0 343.404 3.167 20 30 EGEDRM C=CCSCCNC(=O)Nc1ccc(SC)c(C(=O)[O-])c1 ZINC001588879523 984457845 /nfs/dbraw/zinc/45/78/45/984457845.db2.gz CYSNBHKMKNMYJL-UHFFFAOYSA-N -1 0 326.443 3.147 20 30 EGEDRM C=CCn1c(C2CCCC2)nnc1N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC001588898097 984515857 /nfs/dbraw/zinc/51/58/57/984515857.db2.gz ZJDCAFQBYYVLGC-UHFFFAOYSA-N -1 0 344.415 3.358 20 30 EGEDRM C=CCn1c(SCC2(C(=O)[O-])CC2)nnc1-c1ccc(OC)cc1 ZINC001588907684 984539932 /nfs/dbraw/zinc/53/99/32/984539932.db2.gz UDXJEOAMWGTIGE-UHFFFAOYSA-N -1 0 345.424 3.097 20 30 EGEDRM C/C(=C/CN(Cc1cccc(C(F)(F)F)c1)[C@H](C)C#N)C(=O)[O-] ZINC001588958862 984716203 /nfs/dbraw/zinc/71/62/03/984716203.db2.gz SVWSCGDUADRXEO-HUMZTAOYSA-N -1 0 326.318 3.450 20 30 EGEDRM CC(=NOCc1csc(C2CC2)n1)c1ccc(OCC(=O)[O-])cc1 ZINC001589021145 985009851 /nfs/dbraw/zinc/00/98/51/985009851.db2.gz LZTUGBSOHCRTFD-UHFFFAOYSA-N -1 0 346.408 3.425 20 30 EGEDRM CC(=O)CCC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC001589030785 985065150 /nfs/dbraw/zinc/06/51/50/985065150.db2.gz QZEUEWMNIMOUEU-UHFFFAOYSA-N -1 0 335.359 3.092 20 30 EGEDRM C[C@H]1CN(C(=O)Nc2ccc(C#N)cc2C2CC2)CC[C@H]1C(=O)[O-] ZINC001599922635 985157512 /nfs/dbraw/zinc/15/75/12/985157512.db2.gz MJCHPCFESHMUQM-SMDDNHRTSA-N -1 0 327.384 3.010 20 30 EGEDRM Cc1[nH]c(-c2ccccc2)nc1C(=O)C=Cc1cccc(C(=O)[O-])n1 ZINC001599939667 985438509 /nfs/dbraw/zinc/43/85/09/985438509.db2.gz OEZZZJJRXZDXTE-ZHACJKMWSA-N -1 0 333.347 3.374 20 30 EGEDRM C[C@H]1CN(Cc2cccc(C(=O)[O-])c2C#N)c2cccc(F)c2O1 ZINC001594542115 986178427 /nfs/dbraw/zinc/17/84/27/986178427.db2.gz CYTUCDGTESAWHD-NSHDSACASA-N -1 0 326.327 3.183 20 30 EGEDRM CCOc1ccc(O)c(/C=N\[C@H]2CCSC3(CC(C(=O)[O-])C3)C2)c1 ZINC001597129579 986839959 /nfs/dbraw/zinc/83/99/59/986839959.db2.gz FFLBVNWUDYCALL-AVOSXBEYSA-N -1 0 349.452 3.339 20 30 EGEDRM CCOc1cccc(/C=N/[C@H](CC(=O)[O-])Cc2ccccc2)c1O ZINC001597149770 986921790 /nfs/dbraw/zinc/92/17/90/986921790.db2.gz KOKUMFHAHMAFHO-UOEVCUDDSA-N -1 0 327.380 3.296 20 30 EGEDRM C[C@H](C(=O)[O-])c1ccc(NC(=O)C2(c3ccc(C#N)cc3)CC2)cc1 ZINC001589504570 987115292 /nfs/dbraw/zinc/11/52/92/987115292.db2.gz RWSAULHRBVRPJB-ZDUSSCGKSA-N -1 0 334.375 3.417 20 30 EGEDRM C[C@H](C(=O)[O-])c1ccc(NC(=O)c2ncc(C#N)cc2Cl)cc1 ZINC001589521000 987163896 /nfs/dbraw/zinc/16/38/96/987163896.db2.gz FNXIHSDZPNFARM-VIFPVBQESA-N -1 0 329.743 3.047 20 30 EGEDRM CC[C@@H](C#N)C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC001594722189 987210247 /nfs/dbraw/zinc/21/02/47/987210247.db2.gz LFEZAMKMTZGGBM-INIZCTEOSA-N -1 0 332.359 3.273 20 30 EGEDRM CC[C@H](C#N)[C@H](OC(=O)c1ccc(C(=O)[O-])n1C)c1cccs1 ZINC001594722745 987216374 /nfs/dbraw/zinc/21/63/74/987216374.db2.gz TYOYEGMTCPZBLW-YGRLFVJLSA-N -1 0 332.381 3.233 20 30 EGEDRM CC(C)(C(=O)Nc1cc(C(=O)[O-])cs1)c1cc(F)cc(C#N)c1 ZINC001589579073 987357589 /nfs/dbraw/zinc/35/75/89/987357589.db2.gz BIMRTAAWDGXFTD-UHFFFAOYSA-N -1 0 332.356 3.373 20 30 EGEDRM CC(C)(C(=O)O[C@@H]1CCC[C@H](C(=O)[O-])C1)c1cc(F)cc(C#N)c1 ZINC001589681136 987709950 /nfs/dbraw/zinc/70/99/50/987709950.db2.gz UBBSCQXIOGRJRW-SWLSCSKDSA-N -1 0 333.359 3.162 20 30 EGEDRM CCc1cc(C(=O)[O-])ccc1NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 ZINC001597446903 987825390 /nfs/dbraw/zinc/82/53/90/987825390.db2.gz NEAYPTNNGOCABF-QGZVFWFLSA-N -1 0 347.374 3.140 20 30 EGEDRM CCc1ccc(C#CC(=O)N[C@H](CC(=O)[O-])c2ccc(C)cc2)cc1 ZINC001597495034 988040567 /nfs/dbraw/zinc/04/05/67/988040567.db2.gz OYRZFQUDPLFUPD-LJQANCHMSA-N -1 0 335.403 3.241 20 30 EGEDRM CCc1ccc([C@H](C#N)N(C)C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC001597509079 988089104 /nfs/dbraw/zinc/08/91/04/988089104.db2.gz WPVXCTZVPOOGBK-IKGGRYGDSA-N -1 0 328.412 3.163 20 30 EGEDRM COc1cccc([C@H](NCC#Cc2cccc(Cl)c2)C(=O)[O-])c1 ZINC001599687489 991010755 /nfs/dbraw/zinc/01/07/55/991010755.db2.gz VHRCSQBXBYINJC-KRWDZBQOSA-N -1 0 329.783 3.116 20 30 EGEDRM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Oc1cccc(C(=O)[O-])c1 ZINC001591052399 991459305 /nfs/dbraw/zinc/45/93/05/991459305.db2.gz QPIHLBXHVOKZRX-QGZVFWFLSA-N -1 0 339.347 3.265 20 30 EGEDRM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1cc(C(=O)[O-])co1 ZINC001591342832 992322817 /nfs/dbraw/zinc/32/28/17/992322817.db2.gz MOBKVSMQXDLSMI-UHFFFAOYSA-N -1 0 326.352 3.148 20 30 EGEDRM CN(Cc1ccc(C#N)cc1)c1ncc(C(=O)[O-])cc1C(F)(F)F ZINC001598509346 992549322 /nfs/dbraw/zinc/54/93/22/992549322.db2.gz SGIMKVAMEFSLIY-UHFFFAOYSA-N -1 0 335.285 3.307 20 30 EGEDRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)Nc1cc(C#N)c(F)cc1F ZINC001598512446 992577585 /nfs/dbraw/zinc/57/75/85/992577585.db2.gz HORZTSFMIHKKNN-UHFFFAOYSA-N -1 0 345.305 3.199 20 30 EGEDRM COc1cccc(CC(=O)[O-])c1OCCCOc1ccc(C#N)cc1 ZINC001599664474 994706410 /nfs/dbraw/zinc/70/64/10/994706410.db2.gz IAHHXQSAEPKJRA-UHFFFAOYSA-N -1 0 341.363 3.042 20 30 EGEDRM C[C@@H](NCc1ccccc1C(C)(C)C#N)c1ncc(C(=O)[O-])s1 ZINC001593303562 994735801 /nfs/dbraw/zinc/73/58/01/994735801.db2.gz GJLQONZGAPVXJD-LLVKDONJSA-N -1 0 329.425 3.493 20 30 EGEDRM C[C@H](OC(=O)[C@]1(C(=O)[O-])C[C@H]1c1ccccc1)c1ccc(C#N)cc1 ZINC001593491279 995461121 /nfs/dbraw/zinc/46/11/21/995461121.db2.gz MCDSBOOTCNQLCQ-QKMWGZLOSA-N -1 0 335.359 3.421 20 30 EGEDRM C[C@H](Sc1ccc(C(=O)[O-])cc1)C(=O)NC1(C#N)CCCCC1 ZINC001593664510 996052475 /nfs/dbraw/zinc/05/24/75/996052475.db2.gz WQMVXSKGNGWMTE-LBPRGKRZSA-N -1 0 332.425 3.208 20 30 EGEDRM C[C@H](Sc1ccccc1C(=O)N1CCC[C@@](C)(C#N)C1)C(=O)[O-] ZINC001593668334 996062732 /nfs/dbraw/zinc/06/27/32/996062732.db2.gz QNMOUJWVSPHAFP-SJCJKPOMSA-N -1 0 332.425 3.018 20 30 EGEDRM C[C@H](Sc1ccccc1C(=O)OCc1ccccc1C#N)C(=O)[O-] ZINC001593673704 996087353 /nfs/dbraw/zinc/08/73/53/996087353.db2.gz QAQMWSRDEMDCFI-LBPRGKRZSA-N -1 0 341.388 3.480 20 30 EGEDRM C[C@@H](c1cccc(C#N)c1)N(C)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC001593697943 996159980 /nfs/dbraw/zinc/15/99/80/996159980.db2.gz BUCHWSFYHAJCQY-AWEZNQCLSA-N -1 0 336.391 3.409 20 30 EGEDRM C[C@H](c1cccc(C#N)c1)n1cc(CC2(C(=O)[O-])CCCCC2)nn1 ZINC001593698395 996164050 /nfs/dbraw/zinc/16/40/50/996164050.db2.gz IUKXRCOWRNMTDP-CQSZACIVSA-N -1 0 338.411 3.337 20 30 EGEDRM C[C@]1(C#N)CCCN([C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)C1 ZINC001593743175 996366032 /nfs/dbraw/zinc/36/60/32/996366032.db2.gz PYPXRANKZCZQMC-DZGCQCFKSA-N -1 0 326.318 3.457 20 30 EGEDRM CON(Cc1ccccc1Cl)[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001599318630 997542342 /nfs/dbraw/zinc/54/23/42/997542342.db2.gz OFAZWRMDOCKJQS-MRXNPFEDSA-N -1 0 330.771 3.401 20 30 EGEDRM COc1cc(CNc2nc(C)c(C#N)cc2Cl)ccc1C(=O)[O-] ZINC001599418410 997551516 /nfs/dbraw/zinc/55/15/16/997551516.db2.gz HRGQPGZJCWVGEY-UHFFFAOYSA-N -1 0 331.759 3.234 20 30 EGEDRM CON=Cc1ccc(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)cc1 ZINC001599320465 997572443 /nfs/dbraw/zinc/57/24/43/997572443.db2.gz GETRDLGAYLIHGD-CYBMUJFWSA-N -1 0 340.379 3.182 20 30 EGEDRM COc1cc(F)c(NCc2cccc(C(=O)[O-])c2C#N)cc1OC ZINC001599424656 997653196 /nfs/dbraw/zinc/65/31/96/997653196.db2.gz XGAPZAIXSWKDGC-UHFFFAOYSA-N -1 0 330.315 3.025 20 30 EGEDRM C[C@]1(NC(=O)C[C@@H](CC#N)c2ccccc2)CCCC[C@@H]1C(=O)[O-] ZINC001594054021 997781273 /nfs/dbraw/zinc/78/12/73/997781273.db2.gz ZSHQMECXGCWYQN-MDZRGWNJSA-N -1 0 328.412 3.224 20 30 EGEDRM CC1=C(Br)CN([C@@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC001594090071 998034546 /nfs/dbraw/zinc/03/45/46/998034546.db2.gz DJPVVNAOBNXKLU-CQSZACIVSA-N -1 0 335.201 3.059 20 30 EGEDRM COCCOCc1ccc(CN=Nc2cccc(C(=O)[O-])c2F)cc1 ZINC001599252910 998262759 /nfs/dbraw/zinc/26/27/59/998262759.db2.gz JUSQINCQMFFYKN-UHFFFAOYSA-N -1 0 346.358 3.133 20 30 EGEDRM O=C([O-])COc1ccc(/C=C/C(=O)c2ccsc2)cc1[N+](=O)[O-] ZINC000068042276 215272106 /nfs/dbraw/zinc/27/21/06/215272106.db2.gz RRMMMKSKECXZFK-HNQUOIGGSA-N -1 0 333.321 3.016 20 30 EGEDRM C=CCOCCCC(=O)N[C@H](CC(=O)[O-])c1cccc2ccccc21 ZINC000262923694 245253983 /nfs/dbraw/zinc/25/39/83/245253983.db2.gz FMJFCBQNMNPGPR-GOSISDBHSA-N -1 0 341.407 3.455 20 30 EGEDRM C[C@@H]1CCC[C@@H](OCCCCCC(=O)Nc2nc(C#N)c(C#N)[n-]2)C1 ZINC000153482841 224111327 /nfs/dbraw/zinc/11/13/27/224111327.db2.gz DLLUMUZNZOUIKN-ZIAGYGMSSA-N -1 0 343.431 3.247 20 30 EGEDRM O=C([O-])C(=O)/C(=C\c1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2n1 ZINC000004869453 210308504 /nfs/dbraw/zinc/30/85/04/210308504.db2.gz PSAKHUYUMWVJHU-PTNGSMBKSA-N -1 0 348.314 3.337 20 30 EGEDRM N#Cc1cccnc1[N-]S(=O)(=O)c1ccccc1-c1ccccc1 ZINC000186702225 144141607 /nfs/dbraw/zinc/14/16/07/144141607.db2.gz CURFCMHSKHHNQD-UHFFFAOYSA-N -1 0 335.388 3.421 20 30 EGEDRM N#Cc1cc([N-]S(=O)(=O)c2cc(F)cc(F)c2)nc2ccccc12 ZINC000351216284 144259404 /nfs/dbraw/zinc/25/94/04/144259404.db2.gz ARZUAXALRONQHX-UHFFFAOYSA-N -1 0 345.330 3.185 20 30 EGEDRM N#Cc1cc([N-]S(=O)(=O)c2ccc(F)cc2F)nc2ccccc12 ZINC000351217260 144259496 /nfs/dbraw/zinc/25/94/96/144259496.db2.gz CGFZKQQMMSXUCW-UHFFFAOYSA-N -1 0 345.330 3.185 20 30 EGEDRM N#Cc1cncc(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)c1 ZINC000336883095 154229511 /nfs/dbraw/zinc/22/95/11/154229511.db2.gz YFKXIBINCLFEKD-UHFFFAOYSA-N -1 0 335.388 3.421 20 30 EGEDRM Cc1ccnc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)c1 ZINC000337125778 163135180 /nfs/dbraw/zinc/13/51/80/163135180.db2.gz FKWKBDDODOSFNS-UHFFFAOYSA-N -1 0 341.314 3.081 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2ncccc2C#N)ccc1C(F)(F)F ZINC000357383716 166663526 /nfs/dbraw/zinc/66/35/26/166663526.db2.gz GRFQLFKMFFITQE-UHFFFAOYSA-N -1 0 341.314 3.081 20 30 EGEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1nc2c(s1)CCCC2 ZINC000172674797 227834074 /nfs/dbraw/zinc/83/40/74/227834074.db2.gz UPPDKLDURFGYBN-UHFFFAOYSA-N -1 0 333.438 3.003 20 30 EGEDRM N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)CC1(CC(=O)[O-])CCCC1 ZINC000416384744 269969357 /nfs/dbraw/zinc/96/93/57/269969357.db2.gz FFWZDJAVRYPPAX-KRWDZBQOSA-N -1 0 340.423 3.477 20 30 EGEDRM N#Cc1ccnc([N-]c2cnn(-c3ccccc3Cl)c2)c1[N+](=O)[O-] ZINC000301678642 270044222 /nfs/dbraw/zinc/04/42/22/270044222.db2.gz UFPNDCMVBOTISQ-UHFFFAOYSA-N -1 0 340.730 3.444 20 30 EGEDRM CC(=Cc1cccc(OCCCC#N)c1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000435335377 270051234 /nfs/dbraw/zinc/05/12/34/270051234.db2.gz HRFOZBOTTPOABE-RAXLEYEMSA-N -1 0 334.379 3.193 20 30 EGEDRM CC(=Cc1ccc(Oc2cnccn2)cc1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000435335367 270051356 /nfs/dbraw/zinc/05/13/56/270051356.db2.gz HPWXSXOBCJAVMF-FMIVXFBMSA-N -1 0 345.362 3.093 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)c2cnc3ccc(F)cc3c2)cc1 ZINC000436477220 270051674 /nfs/dbraw/zinc/05/16/74/270051674.db2.gz HXRIXYWIZWFLJC-UHFFFAOYSA-N -1 0 327.340 3.046 20 30 EGEDRM CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000185649540 265840019 /nfs/dbraw/zinc/84/00/19/265840019.db2.gz CBIINQTYJYHGNT-UHFFFAOYSA-N -1 0 339.351 3.223 20 30 EGEDRM CC(C)Oc1ccc(C(=O)N=c2[n-]n(C(C)C)cc2C#N)c(Cl)c1 ZINC000410543281 265878720 /nfs/dbraw/zinc/87/87/20/265878720.db2.gz SSDSJQWVINOVDJ-UHFFFAOYSA-N -1 0 346.818 3.450 20 30 EGEDRM CCc1cc(C#N)c([N-]S(=O)(=O)c2ccccc2COC)s1 ZINC000517033360 267244988 /nfs/dbraw/zinc/24/49/88/267244988.db2.gz IHCSLMYMQXFFTN-UHFFFAOYSA-N -1 0 336.438 3.129 20 30 EGEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)nn1C(C)C ZINC000421171389 268012571 /nfs/dbraw/zinc/01/25/71/268012571.db2.gz GQRNUJQESXBKJG-UHFFFAOYSA-N -1 0 338.820 3.098 20 30 EGEDRM N#Cc1ccc(C(=O)[O-])nc1/C=C/c1ccc(F)c(C#N)c1Cl ZINC000431570078 268207675 /nfs/dbraw/zinc/20/76/75/268207675.db2.gz LEYMLZOOMMADIZ-GORDUTHDSA-N -1 0 327.702 3.486 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)on2)cc1F ZINC000427786850 268259877 /nfs/dbraw/zinc/25/98/77/268259877.db2.gz HSKLCEMFSSXTOW-UHFFFAOYSA-N -1 0 343.339 3.153 20 30 EGEDRM Cc1c([N-]S(=O)(=O)c2cccc(C)c2C#N)cnn1C1CCCC1 ZINC000194225063 300981038 /nfs/dbraw/zinc/98/10/38/300981038.db2.gz BHNCSMCXBJEJAN-UHFFFAOYSA-N -1 0 344.440 3.288 20 30 EGEDRM N#Cc1cnc2c(F)ccc(Cl)c2c1N1CCC[C@H](C(=O)[O-])C1 ZINC000263400109 303213458 /nfs/dbraw/zinc/21/34/58/303213458.db2.gz ITSDAZGXGWZMJX-VIFPVBQESA-N -1 0 333.750 3.200 20 30 EGEDRM N#Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000180734836 455236073 /nfs/dbraw/zinc/23/60/73/455236073.db2.gz PNJUAYBWKFUUFB-UHFFFAOYSA-N -1 0 328.727 3.291 20 30 EGEDRM CC(C)Oc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000158044825 455262590 /nfs/dbraw/zinc/26/25/90/455262590.db2.gz OECUNUMUTWBZBZ-UHFFFAOYSA-N -1 0 334.372 3.285 20 30 EGEDRM C=CC1CCN(C(=O)C[C@@](C)(C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC000634904501 460593868 /nfs/dbraw/zinc/59/38/68/460593868.db2.gz QVZQFFVNVWHXRY-GOSISDBHSA-N -1 0 335.831 3.497 20 30 EGEDRM N#CC1CCN(C(=O)c2cc(Br)cc(Cl)c2[O-])CC1 ZINC000174260351 455374858 /nfs/dbraw/zinc/37/48/58/455374858.db2.gz SOCVNHMKCFNERU-UHFFFAOYSA-N -1 0 343.608 3.184 20 30 EGEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1 ZINC000033717487 453916627 /nfs/dbraw/zinc/91/66/27/453916627.db2.gz LQHMHGIWFMGNAF-UHFFFAOYSA-N -1 0 326.299 3.378 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2nnn(-c3cccc(C)c3)c2C)n1 ZINC000054428389 453930094 /nfs/dbraw/zinc/93/00/94/453930094.db2.gz FSDPWZJSEFXWAH-AWEZNQCLSA-N -1 0 337.408 3.139 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2ccn(-c3ccc(F)cc3)n2)n1 ZINC000041515182 453969852 /nfs/dbraw/zinc/96/98/52/453969852.db2.gz HSYVPTJAXBTLMW-ZDUSSCGKSA-N -1 0 326.356 3.266 20 30 EGEDRM COc1cn(-c2ccccc2)nc1C([O-])=C(C#N)c1nc(C)cs1 ZINC000041518936 453969998 /nfs/dbraw/zinc/96/99/98/453969998.db2.gz JYQZTXUNOGBANK-CYBMUJFWSA-N -1 0 338.392 3.136 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]C(=O)C(C)C)sc1Br ZINC000084852170 454012810 /nfs/dbraw/zinc/01/28/10/454012810.db2.gz VSONHHRRGHQKIX-UHFFFAOYSA-N -1 0 326.237 3.120 20 30 EGEDRM C=CCOc1cccc([N-]S(=O)(=O)c2ccc(F)cc2F)c1 ZINC000057124073 454103218 /nfs/dbraw/zinc/10/32/18/454103218.db2.gz LMLQQHNXLYGYIR-UHFFFAOYSA-N -1 0 325.336 3.330 20 30 EGEDRM Cc1ccc2nc([N-]S(=O)(=O)c3cccc(C#N)c3)sc2c1 ZINC000057717565 454143601 /nfs/dbraw/zinc/14/36/01/454143601.db2.gz KFQIEYQSCIYBCM-UHFFFAOYSA-N -1 0 329.406 3.277 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)C=Cc2ccnc(Cl)c2)cc1 ZINC000089492456 454156080 /nfs/dbraw/zinc/15/60/80/454156080.db2.gz VWJOKVSXUCTFFA-QPJJXVBHSA-N -1 0 336.800 3.402 20 30 EGEDRM O=C([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C1CCOCC1 ZINC000077941786 454171463 /nfs/dbraw/zinc/17/14/63/454171463.db2.gz AAZWQRZHTBNKTK-UHFFFAOYSA-N -1 0 338.212 3.065 20 30 EGEDRM O=C(C=Cc1cc2ccccc2o1)[N-]S(=O)(=O)c1cccnc1 ZINC000077945206 454171533 /nfs/dbraw/zinc/17/15/33/454171533.db2.gz GJVLRVLURSWNSR-BQYQJAHWSA-N -1 0 328.349 3.186 20 30 EGEDRM O=C(C=Cc1cncc(F)c1)[N-]S(=O)(=O)c1ccccc1Cl ZINC000095443025 454213313 /nfs/dbraw/zinc/21/33/13/454213313.db2.gz CEKWQZQLJCXENW-AATRIKPKSA-N -1 0 340.763 3.233 20 30 EGEDRM CC(C)=CC(=O)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000071883912 454242126 /nfs/dbraw/zinc/24/21/26/454242126.db2.gz ZCGQVPIHKPURNR-UHFFFAOYSA-N -1 0 325.283 3.456 20 30 EGEDRM C=CCCS(=O)(=O)[N-]c1ccccc1Oc1ncccc1C#N ZINC000120059774 454254022 /nfs/dbraw/zinc/25/40/22/454254022.db2.gz UWBAHUGUOKMAHD-UHFFFAOYSA-N -1 0 329.381 3.063 20 30 EGEDRM Cc1cccc(S(=O)(=O)[N-]c2cccc(-c3cn[nH]c3)c2)c1C#N ZINC000090166424 454288284 /nfs/dbraw/zinc/28/82/84/454288284.db2.gz CCZZEVXCDHQPCQ-UHFFFAOYSA-N -1 0 338.392 3.058 20 30 EGEDRM C=CCOc1cccc([N-]S(=O)(=O)c2sccc2OC)c1 ZINC000120996429 454375002 /nfs/dbraw/zinc/37/50/02/454375002.db2.gz QJZMWRLEMFKZPT-UHFFFAOYSA-N -1 0 325.411 3.122 20 30 EGEDRM O=C(/C=C/c1ccc(O)c(F)c1)c1cccc(N2CCOC2=O)c1 ZINC000121118568 454394111 /nfs/dbraw/zinc/39/41/11/454394111.db2.gz WRICLQPRJXFFHB-GQCTYLIASA-N -1 0 327.311 3.384 20 30 EGEDRM CC(C)c1csc(C(C#N)=C([O-])c2ncn(-c3ccccc3)n2)n1 ZINC000091865699 454483596 /nfs/dbraw/zinc/48/35/96/454483596.db2.gz BXVMEEVKXHZUHQ-CYBMUJFWSA-N -1 0 337.408 3.337 20 30 EGEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C)c(Cl)c1 ZINC000064478994 454485476 /nfs/dbraw/zinc/48/54/76/454485476.db2.gz GIGFWFSOSTUQIQ-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM CCC(CC)S(=O)(=O)[N-]C(=O)C=Cc1cccc([N+](=O)[O-])c1 ZINC000073838462 454489342 /nfs/dbraw/zinc/48/93/42/454489342.db2.gz NRQWLBFXMCWQIK-CMDGGOBGSA-N -1 0 326.374 3.083 20 30 EGEDRM N#CCCn1ccc(NC(=O)c2c([O-])cc(Cl)cc2Cl)n1 ZINC000080028865 454521526 /nfs/dbraw/zinc/52/15/26/454521526.db2.gz ILCRTGSOKOVONK-UHFFFAOYSA-N -1 0 325.155 3.061 20 30 EGEDRM CC(C)c1cc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)nn1C ZINC000080252890 454556497 /nfs/dbraw/zinc/55/64/97/454556497.db2.gz AZLNBWHCLKADRZ-LLVKDONJSA-N -1 0 336.317 3.447 20 30 EGEDRM CC(C)c1csc(C(C#N)=C([O-])c2cccc3c2OCC(=O)N3)n1 ZINC000080451944 454583126 /nfs/dbraw/zinc/58/31/26/454583126.db2.gz GPTZOQYXMZJJTO-LLVKDONJSA-N -1 0 341.392 3.087 20 30 EGEDRM C[C@H](/N=C/c1cc(Cl)cc(Cl)c1[O-])[C@H](C)N1CCOCC1 ZINC000105356564 454636067 /nfs/dbraw/zinc/63/60/67/454636067.db2.gz VKPFJJLFWBQVJX-WCLGICPRSA-N -1 0 331.243 3.227 20 30 EGEDRM CC(C)(C)c1[n-]n(CC(=O)Nc2ccc(F)cc2)c(=O)c1CCC#N ZINC000153495344 454799930 /nfs/dbraw/zinc/79/99/30/454799930.db2.gz HBRHOWARABBVHH-UHFFFAOYSA-N -1 0 344.390 3.120 20 30 EGEDRM N#C[C@H](NS(=O)(=O)c1cc(F)ccc1Cl)C1CCCCC1 ZINC000125580030 454832545 /nfs/dbraw/zinc/83/25/45/454832545.db2.gz NLAGCRWWGYQEMF-ZDUSSCGKSA-N -1 0 330.812 3.230 20 30 EGEDRM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c1 ZINC000182991819 455205948 /nfs/dbraw/zinc/20/59/48/455205948.db2.gz GAOLOXLWAMZAGN-UHFFFAOYSA-N -1 0 334.784 3.215 20 30 EGEDRM COc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c(C)c1 ZINC000183043651 455215700 /nfs/dbraw/zinc/21/57/00/455215700.db2.gz RVBOHWAZTMOUDY-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccccc1F ZINC000174255906 455374123 /nfs/dbraw/zinc/37/41/23/455374123.db2.gz OQZGNTJSMJOIOB-UHFFFAOYSA-N -1 0 333.388 3.320 20 30 EGEDRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ncccc2C#N)cc1 ZINC000191106114 455444194 /nfs/dbraw/zinc/44/41/94/455444194.db2.gz XDCMDOVENHNROZ-UHFFFAOYSA-N -1 0 329.425 3.442 20 30 EGEDRM CCCn1nc(C)c(/C=C/C(=O)c2cccc(OCC(=O)[O-])c2)c1C ZINC000268326309 455651938 /nfs/dbraw/zinc/65/19/38/455651938.db2.gz OOODSPVDYBJGEI-CMDGGOBGSA-N -1 0 342.395 3.269 20 30 EGEDRM N#C[C@@H]1CSCCN1C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000271808933 455768548 /nfs/dbraw/zinc/76/85/48/455768548.db2.gz YDJIQCFLWOQMFI-SNVBAGLBSA-N -1 0 332.812 3.280 20 30 EGEDRM CC(C)n1cc(C(=O)/C=C/c2ccc(O[C@H](C)C(=O)[O-])cc2)cn1 ZINC000285308968 455821549 /nfs/dbraw/zinc/82/15/49/455821549.db2.gz YVAJSIRWCFFKEK-YSKGHYERSA-N -1 0 328.368 3.212 20 30 EGEDRM CC(C)(C)c1cccc([N-]S(=O)(=O)c2ccccc2C#N)c1O ZINC000187081902 455868999 /nfs/dbraw/zinc/86/89/99/455868999.db2.gz QOJICELYAVFCTC-UHFFFAOYSA-N -1 0 330.409 3.362 20 30 EGEDRM C=CCC[C@@H](NC(=O)CCSc1ccccc1Cl)C(=O)[O-] ZINC000263040894 456082153 /nfs/dbraw/zinc/08/21/53/456082153.db2.gz ZQQYZKSTLFHAMV-GFCCVEGCSA-N -1 0 327.833 3.358 20 30 EGEDRM CCc1nnc(-c2cccc(NC(=O)c3ccc(C#N)c([O-])c3)c2)o1 ZINC000188591662 456090363 /nfs/dbraw/zinc/09/03/63/456090363.db2.gz QDPXBEJMXUNVMO-UHFFFAOYSA-N -1 0 334.335 3.129 20 30 EGEDRM C[C@H]1C[C@@H](NC(=O)c2ccc(C#N)c(O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000188623137 456097801 /nfs/dbraw/zinc/09/78/01/456097801.db2.gz DQSKYBBCHALWHD-KXBFYZLASA-N -1 0 349.434 3.047 20 30 EGEDRM C=C(C)[C@@H](NC(=O)N1CCC(C(=O)[O-])CC1)c1ccc(F)c(F)c1 ZINC000263398759 456142853 /nfs/dbraw/zinc/14/28/53/456142853.db2.gz RTGACWHHXCNFHB-OAHLLOKOSA-N -1 0 338.354 3.088 20 30 EGEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000263458718 456151147 /nfs/dbraw/zinc/15/11/47/456151147.db2.gz CWSHEBIOHCPLLU-YVEFUNNKSA-N -1 0 347.440 3.267 20 30 EGEDRM C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000263487851 456156123 /nfs/dbraw/zinc/15/61/23/456156123.db2.gz NKMGIUIPILBQPB-RYUDHWBXSA-N -1 0 333.413 3.019 20 30 EGEDRM C=CCOc1ccc(C(=O)Nc2ccc(CC(=O)[O-])cc2)cc1OC ZINC000347725104 456329628 /nfs/dbraw/zinc/32/96/28/456329628.db2.gz CRYKNPPSYGYZDS-UHFFFAOYSA-N -1 0 341.363 3.139 20 30 EGEDRM COc1nc(C)ccc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000337246190 456340903 /nfs/dbraw/zinc/34/09/03/456340903.db2.gz JGQTXNGZXGGKFO-GFCCVEGCSA-N -1 0 335.285 3.303 20 30 EGEDRM COc1ccc(C(=O)Nc2sc3c(c2C#N)[C@H](C)[C@@H](C)CC3)nn1 ZINC000298002196 456341595 /nfs/dbraw/zinc/34/15/95/456341595.db2.gz YWHHDDQUXDZEIC-VHSXEESVSA-N -1 0 342.424 3.356 20 30 EGEDRM CCN(CCC#N)C(=O)N=c1[n-]nc(-c2cc3ccccc3o2)s1 ZINC000347747857 456347260 /nfs/dbraw/zinc/34/72/60/456347260.db2.gz YIDNARWSMYYLQF-UHFFFAOYSA-N -1 0 341.396 3.141 20 30 EGEDRM C=C(C)CSc1nc([O-])c(CC)c(=O)n1-c1ccccc1OC ZINC000303205518 456451691 /nfs/dbraw/zinc/45/16/91/456451691.db2.gz PIVQLZPRXDTKBU-UHFFFAOYSA-N -1 0 332.425 3.177 20 30 EGEDRM CCCCCCCS(=O)(=O)[N-]c1cnc(C(=O)OCC)s1 ZINC000282396551 456500582 /nfs/dbraw/zinc/50/05/82/456500582.db2.gz JMODNQBXQFOORW-UHFFFAOYSA-N -1 0 334.463 3.032 20 30 EGEDRM Cc1cc(F)ccc1S(=O)(=O)[N-]c1c(C#N)cnn1C1CCCC1 ZINC000337749383 456522078 /nfs/dbraw/zinc/52/20/78/456522078.db2.gz FDOBVZPFBDVACJ-UHFFFAOYSA-N -1 0 348.403 3.118 20 30 EGEDRM O=C1CC[C@H](/N=C/c2cc(Cl)cc(Cl)c2[O-])C2(CCC2)N1 ZINC000282687276 456592403 /nfs/dbraw/zinc/59/24/03/456592403.db2.gz QWZGGUDEHIIGPB-MEBUONCMSA-N -1 0 327.211 3.319 20 30 EGEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(F)cc(Cl)c1O ZINC000319936812 456625351 /nfs/dbraw/zinc/62/53/51/456625351.db2.gz IEQPSMBMZDDJMM-UHFFFAOYSA-N -1 0 340.763 3.166 20 30 EGEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)c1cccc2c1N=S=N2 ZINC000322702705 456649121 /nfs/dbraw/zinc/64/91/21/456649121.db2.gz QTWVIBNPWPQAEI-UHFFFAOYSA-N -1 0 346.393 3.094 20 30 EGEDRM N#Cc1cccc([N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)c1 ZINC000340727855 456652794 /nfs/dbraw/zinc/65/27/94/456652794.db2.gz XJJMFUFILVEBLP-UHFFFAOYSA-N -1 0 328.727 3.291 20 30 EGEDRM Cc1cccc([N-]S(=O)(=O)c2ccc(C#N)o2)c1Br ZINC000340977308 456795006 /nfs/dbraw/zinc/79/50/06/456795006.db2.gz OQIFOZNWZWYDDW-UHFFFAOYSA-N -1 0 341.186 3.023 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2csc(C(C)C)n2)n1 ZINC000338866261 456864703 /nfs/dbraw/zinc/86/47/03/456864703.db2.gz UORHTBQLMBUFGQ-VIFPVBQESA-N -1 0 349.437 3.390 20 30 EGEDRM N#CCCCOc1cccc(N=c2nc(C(F)(F)F)[n-]s2)c1 ZINC000341564595 456875893 /nfs/dbraw/zinc/87/58/93/456875893.db2.gz XXDRORFHJHWURE-UHFFFAOYSA-N -1 0 328.319 3.405 20 30 EGEDRM CCCSc1nc(=NC(=O)N2CCOC3(CCCC3)C2)s[n-]1 ZINC000330130402 456988793 /nfs/dbraw/zinc/98/87/93/456988793.db2.gz OZEWLDTVXMBQIZ-UHFFFAOYSA-N -1 0 342.490 3.231 20 30 EGEDRM C=CCN=c1[n-]nc(SCc2csc([C@H](C)OC)n2)s1 ZINC000356612992 457084159 /nfs/dbraw/zinc/08/41/59/457084159.db2.gz SPUSEKKLIJGRQS-QMMMGPOBSA-N -1 0 328.488 3.014 20 30 EGEDRM CC(C)c1c(C([O-])=C(C#N)c2ccncn2)cnn1-c1ccc(F)cc1 ZINC000354471510 457244747 /nfs/dbraw/zinc/24/47/47/457244747.db2.gz OBRDRLLTATWHJE-OAHLLOKOSA-N -1 0 349.369 3.415 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cccc(C(C)C)n2)n1 ZINC000354588304 457290160 /nfs/dbraw/zinc/29/01/60/457290160.db2.gz VYMMMWZVJPCIHZ-NSHDSACASA-N -1 0 343.408 3.328 20 30 EGEDRM CC(=O)Nc1ccc(C([O-])=C(C#N)c2nc3ccccc3s2)nc1 ZINC000360325606 457301986 /nfs/dbraw/zinc/30/19/86/457301986.db2.gz POXUAZUGTZWAFD-GFCCVEGCSA-N -1 0 336.376 3.140 20 30 EGEDRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N[C@@H]3CCC[C@H]3C#N)n2)cc1 ZINC000332103192 457305416 /nfs/dbraw/zinc/30/54/16/457305416.db2.gz DCBLUKGCKPDGME-GOEBONIOSA-N -1 0 338.411 3.123 20 30 EGEDRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N[C@H]3CCC[C@H]3C#N)n2)c1 ZINC000332142168 457312345 /nfs/dbraw/zinc/31/23/45/457312345.db2.gz NSPMEZJUUUQFBE-HOCLYGCPSA-N -1 0 338.411 3.123 20 30 EGEDRM N#CC(=C([O-])c1ccc2c(c1)SCC(=O)N2)c1nc2ccccc2o1 ZINC000355104221 457341571 /nfs/dbraw/zinc/34/15/71/457341571.db2.gz MBLXRUCEODRSFZ-LLVKDONJSA-N -1 0 349.371 3.362 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3ccc(Cl)cc3n2)o1 ZINC000342600146 457393199 /nfs/dbraw/zinc/39/31/99/457393199.db2.gz WEDDLHAVBGXZCK-UHFFFAOYSA-N -1 0 333.756 3.154 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3c(Cl)cccc3n2)o1 ZINC000342647910 457427584 /nfs/dbraw/zinc/42/75/84/457427584.db2.gz FHYRQJPUVOVATH-UHFFFAOYSA-N -1 0 333.756 3.154 20 30 EGEDRM C=CCC(CC=C)C(=O)N1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)[O-])C1 ZINC000425261991 457474202 /nfs/dbraw/zinc/47/42/02/457474202.db2.gz XITRZUGZXXELPD-JKSUJKDBSA-N -1 0 349.377 3.360 20 30 EGEDRM COc1cc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)nn1C ZINC000357994612 457735326 /nfs/dbraw/zinc/73/53/26/457735326.db2.gz QZTYZKMBJJLEGQ-SECBINFHSA-N -1 0 346.799 3.182 20 30 EGEDRM CC(C)Oc1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)cn1 ZINC000361523913 457769892 /nfs/dbraw/zinc/76/98/92/457769892.db2.gz HHRAVBXOWDPZFE-CQSZACIVSA-N -1 0 332.363 3.302 20 30 EGEDRM CCCCn1ncc(C([O-])=C(C#N)c2cnc3ccccc3n2)c1C ZINC000361529023 457773479 /nfs/dbraw/zinc/77/34/79/457773479.db2.gz WXDUYEXHIHSYCT-AWEZNQCLSA-N -1 0 333.395 3.425 20 30 EGEDRM COc1ccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)nc1 ZINC000361958927 457978648 /nfs/dbraw/zinc/97/86/48/457978648.db2.gz ISPZTPKFVCSIRD-ZDUSSCGKSA-N -1 0 336.376 3.099 20 30 EGEDRM N#CC(=C([O-])c1ccc2cc[nH]c2n1)c1cc(C(F)(F)F)ccn1 ZINC000362130643 458032518 /nfs/dbraw/zinc/03/25/18/458032518.db2.gz RHWOEWOWOLURAF-LLVKDONJSA-N -1 0 330.269 3.467 20 30 EGEDRM Cc1cccc([C@H]([N-]S(=O)(=O)CCCCC#N)C(F)(F)F)c1 ZINC000358522033 458055068 /nfs/dbraw/zinc/05/50/68/458055068.db2.gz PXTBMDTVHNIHNF-ZDUSSCGKSA-N -1 0 334.363 3.212 20 30 EGEDRM N#Cc1cccc(C2(C(=O)N=c3nc(-c4ccccc4)[n-]s3)CC2)c1 ZINC000435065129 458088944 /nfs/dbraw/zinc/08/89/44/458088944.db2.gz HYIZRTWCZJYALI-UHFFFAOYSA-N -1 0 346.415 3.169 20 30 EGEDRM C=CC[C@@H]1N(S(=O)(=O)c2cc(C(=O)[O-])oc2C)CCCC1(C)C ZINC000435467729 458151876 /nfs/dbraw/zinc/15/18/76/458151876.db2.gz KBXZCDNADYBWLS-AWEZNQCLSA-N -1 0 341.429 3.042 20 30 EGEDRM Cc1cc(CN=c2[n-]nc(Cc3cccc(F)c3)s2)ccc1C#N ZINC000446971963 458251703 /nfs/dbraw/zinc/25/17/03/458251703.db2.gz PQGJWARVBIVHQF-UHFFFAOYSA-N -1 0 338.411 3.482 20 30 EGEDRM C=CCC[C@@H](NC(=O)NCCC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000414620947 458324612 /nfs/dbraw/zinc/32/46/12/458324612.db2.gz FWEAZNGDYCAWRY-CYBMUJFWSA-N -1 0 344.333 3.487 20 30 EGEDRM C=C(C)Cn1c(-c2c(OC)cccc2OC)n[n-]c1=NC(C)(C)C ZINC000417497720 458364277 /nfs/dbraw/zinc/36/42/77/458364277.db2.gz DOJGOJYJQMITKY-UHFFFAOYSA-N -1 0 330.432 3.171 20 30 EGEDRM CC(C)(CC#N)CNC(=O)N=c1nc(Sc2ccccc2)[n-]s1 ZINC000459444562 458373948 /nfs/dbraw/zinc/37/39/48/458373948.db2.gz CCEKMOFVUVUEPO-UHFFFAOYSA-N -1 0 347.469 3.173 20 30 EGEDRM C=CCC[C@@H](NC(=O)c1cc(C)cc(C)c1Br)C(=O)[O-] ZINC000448994651 458418712 /nfs/dbraw/zinc/41/87/12/458418712.db2.gz OSGBNAUVHRYVRN-GFCCVEGCSA-N -1 0 340.217 3.215 20 30 EGEDRM CC(C)c1cc([N-]S(=O)(=O)c2ccc(CC#N)cc2Cl)no1 ZINC000450974103 458461110 /nfs/dbraw/zinc/46/11/10/458461110.db2.gz LPRUNDXHBURRPJ-UHFFFAOYSA-N -1 0 339.804 3.318 20 30 EGEDRM CC(=O)Nc1nc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)cs1 ZINC000430597957 458469370 /nfs/dbraw/zinc/46/93/70/458469370.db2.gz BKGYAKMZZFVKDQ-SECBINFHSA-N -1 0 348.453 3.346 20 30 EGEDRM Cn1c(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)ccc1[N+](=O)[O-] ZINC000430645072 458474446 /nfs/dbraw/zinc/47/44/46/458474446.db2.gz NNBYIOKMSNMMTB-VIFPVBQESA-N -1 0 332.385 3.177 20 30 EGEDRM C=C(C)Cn1c(-c2cccc(C)n2)n[n-]c1=Nc1cccc(OC)c1 ZINC000460385816 458514913 /nfs/dbraw/zinc/51/49/13/458514913.db2.gz GLONRMKJCJCYKS-UHFFFAOYSA-N -1 0 335.411 3.399 20 30 EGEDRM CNc1nc(C([O-])=C(C#N)c2nc(C(C)C)cs2)ccc1[N+](=O)[O-] ZINC000453701968 458543335 /nfs/dbraw/zinc/54/33/35/458543335.db2.gz XTGGWRPMVIFLGJ-VIFPVBQESA-N -1 0 345.384 3.101 20 30 EGEDRM C=CC[C@@H](C)NC(=O)N=c1[n-]nc(-c2cc3ccccc3o2)s1 ZINC000470508802 458636650 /nfs/dbraw/zinc/63/66/50/458636650.db2.gz XWXSIXWRHAOLBX-SNVBAGLBSA-N -1 0 328.397 3.459 20 30 EGEDRM C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC000424426897 458641264 /nfs/dbraw/zinc/64/12/64/458641264.db2.gz ULGQZUMHOCXCBL-QGZVFWFLSA-N -1 0 343.427 3.003 20 30 EGEDRM C=CCN(c1ccccc1)S(=O)(=O)c1cc(C)c(C)c(C(=O)[O-])c1 ZINC000546968251 458691252 /nfs/dbraw/zinc/69/12/52/458691252.db2.gz YMQRRNGKJCMUNG-UHFFFAOYSA-N -1 0 345.420 3.383 20 30 EGEDRM C=CC[C@H](CC)NC(=O)N=c1[n-]nc(Cc2ccccc2F)s1 ZINC000439496884 458717614 /nfs/dbraw/zinc/71/76/14/458717614.db2.gz WLTLZHPZXLPJOF-LBPRGKRZSA-N -1 0 334.420 3.166 20 30 EGEDRM C=C[C@@H](CC(=O)NC1(C(=O)[O-])Cc2ccccc2C1)c1ccccc1 ZINC000516703110 458820720 /nfs/dbraw/zinc/82/07/20/458820720.db2.gz HIUGTVJDQGTIEJ-HNNXBMFYSA-N -1 0 335.403 3.085 20 30 EGEDRM CCOC(=O)N1CC[C@@H](/N=C\c2cc(Cl)cc(Cl)c2[O-])C1 ZINC000495464568 458863125 /nfs/dbraw/zinc/86/31/25/458863125.db2.gz XFJDIALJWQCPAQ-OWHAOFTHSA-N -1 0 331.199 3.349 20 30 EGEDRM CCOc1cc(C)ccc1[N-]S(=O)(=O)c1cccc(C)c1C#N ZINC000441331552 458921100 /nfs/dbraw/zinc/92/11/00/458921100.db2.gz JJWQDOHBCKBLAD-UHFFFAOYSA-N -1 0 330.409 3.375 20 30 EGEDRM CC(C)Oc1ccc(CC#N)cc1-c1cc(C(=O)[O-])ccc1CO ZINC000566571924 458963280 /nfs/dbraw/zinc/96/32/80/458963280.db2.gz HAISFPDGNIYGQM-UHFFFAOYSA-N -1 0 325.364 3.397 20 30 EGEDRM C=CCOc1cc(OC)ccc1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000468025682 458997027 /nfs/dbraw/zinc/99/70/27/458997027.db2.gz RSZFPJKGDZHTDC-UHFFFAOYSA-N -1 0 344.323 3.126 20 30 EGEDRM N#CC1(c2ccc(-c3cc(C(=O)[O-])ccc3CO)cc2)CCOCC1 ZINC000566865823 459014096 /nfs/dbraw/zinc/01/40/96/459014096.db2.gz DZQZQWVVJGIUGN-UHFFFAOYSA-N -1 0 337.375 3.116 20 30 EGEDRM C=CCC[C@@H](NC(=O)N[C@@H](C)c1cccc(OC(C)C)c1)C(=O)[O-] ZINC000520352553 459051326 /nfs/dbraw/zinc/05/13/26/459051326.db2.gz JBAIRQPLFKHCIW-XJKSGUPXSA-N -1 0 334.416 3.253 20 30 EGEDRM COC(=O)c1ccc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)[nH]1 ZINC000590031727 459068948 /nfs/dbraw/zinc/06/89/48/459068948.db2.gz CUDCBYNJOBSSTE-VIFPVBQESA-N -1 0 343.339 3.040 20 30 EGEDRM COc1cc(CN=c2[n-]nc(-c3ccc(C)s3)o2)ccc1C#N ZINC000443078303 459085525 /nfs/dbraw/zinc/08/55/25/459085525.db2.gz WODHXFNLANTDCL-UHFFFAOYSA-N -1 0 326.381 3.021 20 30 EGEDRM C[C@@H]1CCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)C[C@@H]1C(=O)[O-] ZINC000577953279 459122027 /nfs/dbraw/zinc/12/20/27/459122027.db2.gz YSMWTJAZUYDQHT-DOMZBBRYSA-N -1 0 329.400 3.062 20 30 EGEDRM CCc1cc(C#N)c([N-]S(=O)(=O)C[C@@H](OC)C2CCCC2)s1 ZINC000594729049 459144000 /nfs/dbraw/zinc/14/40/00/459144000.db2.gz UHXHJXXUUWZWIF-CQSZACIVSA-N -1 0 342.486 3.129 20 30 EGEDRM Cc1ccc(-c2ccc(CN3C(=O)CC[C@@H]3C(=O)[O-])cc2)c(C#N)c1 ZINC000594872145 459164111 /nfs/dbraw/zinc/16/41/11/459164111.db2.gz YBBMLOCSEZXJHO-GOSISDBHSA-N -1 0 334.375 3.109 20 30 EGEDRM C=C(C)Cn1c([C@@H]2CC[C@H](C)O2)n[n-]c1=Nc1cnn(C(C)C)c1 ZINC000568239490 459255233 /nfs/dbraw/zinc/25/52/33/459255233.db2.gz NBZYVYRQLNKVGO-ZFWWWQNUSA-N -1 0 330.436 3.037 20 30 EGEDRM N#CCC[C@H](NC(=O)N1CCC(CCC(=O)[O-])CC1)c1ccccc1 ZINC000595260944 459263479 /nfs/dbraw/zinc/26/34/79/459263479.db2.gz OROGCEDQYIXRPO-KRWDZBQOSA-N -1 0 343.427 3.318 20 30 EGEDRM CC(C)[C@@H](CNS(=O)(=O)c1ccc(C#N)cc1F)c1ccccc1 ZINC000523569708 459313182 /nfs/dbraw/zinc/31/31/82/459313182.db2.gz DHMGDDUQZLEJTI-MRXNPFEDSA-N -1 0 346.427 3.415 20 30 EGEDRM CC(C)(C)Oc1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])cc1C#N ZINC000591240006 459339448 /nfs/dbraw/zinc/33/94/48/459339448.db2.gz VRKBAOUILTUJPH-HUUCEWRRSA-N -1 0 342.395 3.341 20 30 EGEDRM C=CCC[C@@H](NC(=O)Nc1ccc2oc(C3CC3)nc2c1)C(=O)[O-] ZINC000560487148 459357545 /nfs/dbraw/zinc/35/75/45/459357545.db2.gz SXZZLWLRGZFKOU-GFCCVEGCSA-N -1 0 329.356 3.246 20 30 EGEDRM CC(C)(C)c1cnc([N-]S(=O)(=O)c2ccc(C#N)cc2F)s1 ZINC000525725790 459483311 /nfs/dbraw/zinc/48/33/11/459483311.db2.gz GAFPYJFTDPJXJJ-UHFFFAOYSA-N -1 0 339.417 3.252 20 30 EGEDRM COc1ccc2ncc(C#N)c(N3CCC(CCC(=O)[O-])CC3)c2c1 ZINC000595967608 459490195 /nfs/dbraw/zinc/49/01/95/459490195.db2.gz JNQXAQGQUZNNHO-UHFFFAOYSA-N -1 0 339.395 3.196 20 30 EGEDRM C=CCOc1ccccc1C(=O)NC[C@H](C(=O)[O-])c1ccc(C)cc1 ZINC000486384789 459500006 /nfs/dbraw/zinc/50/00/06/459500006.db2.gz YGYVSSFJWJQERY-KRWDZBQOSA-N -1 0 339.391 3.158 20 30 EGEDRM CCn1ccc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)n1 ZINC000571325498 459567437 /nfs/dbraw/zinc/56/74/37/459567437.db2.gz RSVPODBMYJACSQ-SNVBAGLBSA-N -1 0 329.310 3.138 20 30 EGEDRM CCc1ccc([C@H](C#N)NC(=O)c2cc(F)c(F)c([O-])c2F)cc1 ZINC000489948956 459573042 /nfs/dbraw/zinc/57/30/42/459573042.db2.gz BDQWEXHZQKOPFA-ZDUSSCGKSA-N -1 0 334.297 3.367 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2n[nH]c3c2cccc3Cl)ccc1C#N ZINC000562578796 459592356 /nfs/dbraw/zinc/59/23/56/459592356.db2.gz MYIHCDLBJUNIFA-UHFFFAOYSA-N -1 0 346.799 3.197 20 30 EGEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1nc(C2CCC2)cs1 ZINC000572945224 459600595 /nfs/dbraw/zinc/60/05/95/459600595.db2.gz KAAAAYAZGCDBOD-UHFFFAOYSA-N -1 0 333.438 3.392 20 30 EGEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cn3c(n2)CCCC3)s1 ZINC000573190239 459639286 /nfs/dbraw/zinc/63/92/86/459639286.db2.gz OGVRNHMXELDVOA-NSHDSACASA-N -1 0 328.441 3.463 20 30 EGEDRM Cc1cc(-c2ccc(C#N)cc2)ccc1C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000584124758 459661750 /nfs/dbraw/zinc/66/17/50/459661750.db2.gz PPGZOTMYGCOJBM-GOSISDBHSA-N -1 0 348.402 3.471 20 30 EGEDRM C=CCc1cc(CN[C@H](C)c2ncc(C(=O)[O-])s2)cc(OC)c1O ZINC000563146547 459723158 /nfs/dbraw/zinc/72/31/58/459723158.db2.gz NZFFIJOJGCLMDW-SNVBAGLBSA-N -1 0 348.424 3.135 20 30 EGEDRM N#CCc1ccc(CSc2n[n-]c(=NCC(F)(F)F)s2)cc1 ZINC000544083163 459725224 /nfs/dbraw/zinc/72/52/24/459725224.db2.gz INNZQARGWXZPGZ-UHFFFAOYSA-N -1 0 344.387 3.293 20 30 EGEDRM C=CCC[C@H](NC(=O)NCc1ccc(C)cc1OCCC)C(=O)[O-] ZINC000563940020 459769498 /nfs/dbraw/zinc/76/94/98/459769498.db2.gz IRRLQWYWIRGTNZ-HNNXBMFYSA-N -1 0 334.416 3.002 20 30 EGEDRM N#CCc1ccnc([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)c1 ZINC000565443996 459784554 /nfs/dbraw/zinc/78/45/54/459784554.db2.gz NXOVYTDTPPUQNF-UHFFFAOYSA-N -1 0 342.207 3.255 20 30 EGEDRM C=CCn1c(-c2sccc2C)n[n-]c1=Nc1cnn(C(C)C)c1 ZINC000566019283 459795332 /nfs/dbraw/zinc/79/53/32/459795332.db2.gz DADIKCXCVXFAHQ-UHFFFAOYSA-N -1 0 328.445 3.444 20 30 EGEDRM N#CC(=C([O-])c1cn2c(n1)CCCC2)c1cc(C(F)(F)F)ccn1 ZINC000574250058 459795580 /nfs/dbraw/zinc/79/55/80/459795580.db2.gz JRWNUNFVGNFKIE-LLVKDONJSA-N -1 0 334.301 3.123 20 30 EGEDRM Cn1cc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)c(C2CC2)n1 ZINC000575631222 459989771 /nfs/dbraw/zinc/98/97/71/459989771.db2.gz CQVMCNQSHKFLPG-NSHDSACASA-N -1 0 334.301 3.201 20 30 EGEDRM Cc1[n-][nH]c(=NC(=O)[C@@H](CC(C)C)c2ccc(Cl)cc2)c1C#N ZINC000598702536 460000422 /nfs/dbraw/zinc/00/04/22/460000422.db2.gz ZYYFKPIWIGWHRV-AWEZNQCLSA-N -1 0 330.819 3.434 20 30 EGEDRM CC(C)(CCC#N)CNC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000597657560 460019077 /nfs/dbraw/zinc/01/90/77/460019077.db2.gz ASVPXXFXOLOMRO-UHFFFAOYSA-N -1 0 346.818 3.291 20 30 EGEDRM CCn1ncc(Cl)c1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000621720347 460027423 /nfs/dbraw/zinc/02/74/23/460027423.db2.gz VLTIZANKXOEMAV-VIFPVBQESA-N -1 0 342.708 3.460 20 30 EGEDRM CCc1cc(C#N)c([N-]S(=O)(=O)c2c(F)cccc2F)s1 ZINC000576202986 460089516 /nfs/dbraw/zinc/08/95/16/460089516.db2.gz QNSKXYGFSRURMO-UHFFFAOYSA-N -1 0 328.365 3.261 20 30 EGEDRM N#CCc1cccc(S(=O)(=O)[N-]c2cc(C3CCCCC3)[nH]n2)c1 ZINC000589586781 460105961 /nfs/dbraw/zinc/10/59/61/460105961.db2.gz AYKZMMSIUJJGNS-UHFFFAOYSA-N -1 0 344.440 3.324 20 30 EGEDRM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2)c(C#N)cc1N(C)C ZINC000589594585 460108050 /nfs/dbraw/zinc/10/80/50/460108050.db2.gz LVWOGWOGKXOVDY-UHFFFAOYSA-N -1 0 349.843 3.387 20 30 EGEDRM CCC(CC)[C@H](NC(=O)N=c1[n-]n(C)cc1C#N)c1ccccc1 ZINC000610563599 460184491 /nfs/dbraw/zinc/18/44/91/460184491.db2.gz BWWJPBAPPZWHCK-INIZCTEOSA-N -1 0 325.416 3.013 20 30 EGEDRM N#CCC[C@H](NC(=O)C[C@@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000610968005 460267523 /nfs/dbraw/zinc/26/75/23/460267523.db2.gz SMJGDWZERNPZLD-MSOLQXFVSA-N -1 0 336.391 3.406 20 30 EGEDRM CC(C)c1ccc2c(c1)[C@H](NC(=O)N=c1[n-]n(C)cc1C#N)CCC2 ZINC000611195567 460306125 /nfs/dbraw/zinc/30/61/25/460306125.db2.gz DITYUHAEQCIGFJ-QGZVFWFLSA-N -1 0 337.427 3.036 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C3CC3)cc2)c([N+](=O)[O-])c1 ZINC000611305092 460333700 /nfs/dbraw/zinc/33/37/00/460333700.db2.gz OALCQQYKROMFAQ-UHFFFAOYSA-N -1 0 343.364 3.145 20 30 EGEDRM COc1cc(Cl)ccc1S(=O)(=O)[N-]c1cccc(C)c1C#N ZINC000611437792 460365347 /nfs/dbraw/zinc/36/53/47/460365347.db2.gz FMDUKEXMEIFOSD-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM CCCc1cc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)n[nH]1 ZINC000604005486 460368370 /nfs/dbraw/zinc/36/83/70/460368370.db2.gz YMFWMBSEOBRNBK-ZDUSSCGKSA-N -1 0 337.408 3.371 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2c(C)oc(C)c2C)n1 ZINC000604432377 460426536 /nfs/dbraw/zinc/42/65/36/460426536.db2.gz XXPQBMIWZOWECR-LLVKDONJSA-N -1 0 332.381 3.328 20 30 EGEDRM CCc1nocc1C([O-])=C(C#N)c1nc2ccccc2n1C(F)F ZINC000626299901 460469244 /nfs/dbraw/zinc/46/92/44/460469244.db2.gz CVTQSOVSHXTGJC-VIFPVBQESA-N -1 0 330.294 3.472 20 30 EGEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)C1(C(F)(F)F)CCCCC1 ZINC000601740166 460886929 /nfs/dbraw/zinc/88/69/29/460886929.db2.gz XXJICWRZAREBCU-UHFFFAOYSA-N -1 0 326.322 3.032 20 30 EGEDRM CCOc1ccc(C#N)cc1NC(=O)[C@](C)(CC(=O)[O-])CC(C)C ZINC000601987095 460973158 /nfs/dbraw/zinc/97/31/58/460973158.db2.gz QOZUBZWIAQVOJF-SFHVURJKSA-N -1 0 332.400 3.423 20 30 EGEDRM C[C@@H](NC(=O)[C@@](C)(CC(=O)[O-])c1ccsc1)c1cccc(C#N)c1 ZINC000601991794 460975901 /nfs/dbraw/zinc/97/59/01/460975901.db2.gz PWROUTZFYKBBQN-XIKOKIGWSA-N -1 0 342.420 3.230 20 30 EGEDRM C[C@@H](S[C@@H](C)C(=O)[O-])C(=O)Nc1scc(C(C)(C)C)c1C#N ZINC000601994345 460977150 /nfs/dbraw/zinc/97/71/50/460977150.db2.gz QLATWHLBIFWEHO-BDAKNGLRSA-N -1 0 340.470 3.451 20 30 EGEDRM C=C(C)C[C@H](NC(=O)CCc1ccc(OC(F)(F)F)cc1)C(=O)[O-] ZINC000630326951 461095962 /nfs/dbraw/zinc/09/59/62/461095962.db2.gz UKRVPKVOPZPEAN-ZDUSSCGKSA-N -1 0 345.317 3.053 20 30 EGEDRM C=CCn1c(=N)[n-]nc1SCCOc1ccc(C(C)C)c(C)c1 ZINC000641980693 461423034 /nfs/dbraw/zinc/42/30/34/461423034.db2.gz KBCQIOYIWFJSPP-UHFFFAOYSA-N -1 0 332.473 3.480 20 30 EGEDRM C=C(C)C[C@H](C)C(=O)N[C@H](CC(=O)[O-])Cc1cc(F)c(F)cc1F ZINC000666370661 461598458 /nfs/dbraw/zinc/59/84/58/461598458.db2.gz PCYOLXZTXONVMN-JQWIXIFHSA-N -1 0 343.345 3.208 20 30 EGEDRM Cc1c(C([O-])=C(C#N)c2nc(C3CC3)cs2)cnn1-c1ccccn1 ZINC000647378649 461668218 /nfs/dbraw/zinc/66/82/18/461668218.db2.gz OBYFGBJTYMMGGH-CYBMUJFWSA-N -1 0 349.419 3.400 20 30 EGEDRM C=CCC1(C(=O)NC[C@@H](Cc2ccc(OCC)cc2)C(=O)[O-])CCC1 ZINC000263095192 534588787 /nfs/dbraw/zinc/58/87/87/534588787.db2.gz IGNYKYZZGAQYIR-MRXNPFEDSA-N -1 0 345.439 3.191 20 30 EGEDRM COc1cc(C(=O)/C=C/c2cccc(O[C@H](C)C(=O)[O-])c2)ccc1O ZINC000058357310 522049688 /nfs/dbraw/zinc/04/96/88/522049688.db2.gz DJEVCOVAWPBIKU-WAFBPQNNSA-N -1 0 342.347 3.149 20 30 EGEDRM COc1cccc(S(=O)(=O)[N-]C(=O)C2(c3cccc(C)c3)CC2)c1 ZINC000058188033 526243247 /nfs/dbraw/zinc/24/32/47/526243247.db2.gz DFPOSGCTZGGWBT-UHFFFAOYSA-N -1 0 345.420 3.381 20 30 EGEDRM C=CCc1cc(C(=O)Nc2ccccc2C(=O)[O-])cc(OC)c1OC ZINC000681680794 550026644 /nfs/dbraw/zinc/02/66/44/550026644.db2.gz YOQGSFQNRFCPRT-UHFFFAOYSA-N -1 0 341.363 3.383 20 30 EGEDRM Cc1cc([O-])cc2c1C(=O)C(=NNc1ccc(OC(F)F)cc1)O2 ZINC000726426798 574553798 /nfs/dbraw/zinc/55/37/98/574553798.db2.gz HZRKCWVYFBPSAW-UHFFFAOYSA-N -1 0 334.278 3.303 20 30 EGEDRM CC(C)(C)c1nc(C([O-])=C(C#N)C(=O)NCc2ccccc2)cs1 ZINC000726732076 574568689 /nfs/dbraw/zinc/56/86/89/574568689.db2.gz ACRWBUONSGBDNR-ZDUSSCGKSA-N -1 0 341.436 3.079 20 30 EGEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1ccc(C(F)F)cc1 ZINC000726733341 574568692 /nfs/dbraw/zinc/56/86/92/574568692.db2.gz WMFAYSNYSCPEPY-HNNXBMFYSA-N -1 0 328.318 3.263 20 30 EGEDRM COc1cc(/C=C2\CCc3sccc3C2=O)ccc1OCC(=O)[O-] ZINC000726891406 574598053 /nfs/dbraw/zinc/59/80/53/574598053.db2.gz JAOJKEPEFKGFJW-XYOKQWHBSA-N -1 0 344.388 3.433 20 30 EGEDRM Cc1sc2ncn(N=Cc3cccc(Cl)c3[O-])c(=O)c2c1C ZINC000753160681 574827029 /nfs/dbraw/zinc/82/70/29/574827029.db2.gz LVRWSNMSEFCCBK-UHFFFAOYSA-N -1 0 333.800 3.316 20 30 EGEDRM C[C@H]1CCc2c(sc(NC(=O)c3ccc(C#N)cn3)c2C(=O)[O-])C1 ZINC000737754438 574855430 /nfs/dbraw/zinc/85/54/30/574855430.db2.gz QJMUEYUYQMOFNC-VIFPVBQESA-N -1 0 341.392 3.090 20 30 EGEDRM CON=Cc1ccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000737839815 574968124 /nfs/dbraw/zinc/96/81/24/574968124.db2.gz OKRRWJBLDNOSBL-OAHLLOKOSA-N -1 0 347.754 3.303 20 30 EGEDRM CON=Cc1ccc(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)cc1 ZINC000737840204 574971029 /nfs/dbraw/zinc/97/10/29/574971029.db2.gz SZQTWABHFZJLBB-UHFFFAOYSA-N -1 0 332.743 3.271 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2ccc3c(c2)CCC(C)(C)O3)C(=O)O1 ZINC000731563751 575080546 /nfs/dbraw/zinc/08/05/46/575080546.db2.gz TXTSFOSKKHFDJT-MJICGBHWSA-N -1 0 340.375 3.018 20 30 EGEDRM COc1cc(/C=C2/Cc3cc(F)ccc3C2=O)ccc1OCC(=O)[O-] ZINC000734305635 575464393 /nfs/dbraw/zinc/46/43/93/575464393.db2.gz YXLJHVLMZZMEMM-MLPAPPSSSA-N -1 0 342.322 3.120 20 30 EGEDRM COc1ccc(C=NNc2cc(C)cc(C)c2)c(OCC(=O)[O-])c1 ZINC000734362750 575474053 /nfs/dbraw/zinc/47/40/53/575474053.db2.gz BXOCHUZZUBTFEZ-UHFFFAOYSA-N -1 0 328.368 3.221 20 30 EGEDRM C#CC[C@@H](OC(=O)Cn1cc(C(=O)[O-])c2ccccc21)c1ccccn1 ZINC000736076561 575896157 /nfs/dbraw/zinc/89/61/57/575896157.db2.gz IYWCSTZPSFBVOX-GOSISDBHSA-N -1 0 348.358 3.042 20 30 EGEDRM C=CCN1C(=O)N[C@H](c2cnc(C(C)(C)C)s2)C(C(=O)[O-])=C1C ZINC000736107189 575896959 /nfs/dbraw/zinc/89/69/59/575896959.db2.gz SVADUSBHAFSWOM-GFCCVEGCSA-N -1 0 335.429 3.052 20 30 EGEDRM C=CCN(CC1CCCCC1)S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000736107920 575897015 /nfs/dbraw/zinc/89/70/15/575897015.db2.gz ASCBMIWTVSPXQF-UHFFFAOYSA-N -1 0 343.470 3.203 20 30 EGEDRM C#CCOc1cccc(COC(=O)CCc2ccc(C(=O)[O-])cc2)c1 ZINC000736089866 575898130 /nfs/dbraw/zinc/89/81/30/575898130.db2.gz REGAUAHXTRWGBF-UHFFFAOYSA-N -1 0 338.359 3.073 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)C[C@@H](C)n1cccc1 ZINC000736115056 575900746 /nfs/dbraw/zinc/90/07/46/575900746.db2.gz UTAZLBQWTNQWIB-CYBMUJFWSA-N -1 0 343.379 3.480 20 30 EGEDRM C=CCOc1ccc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000736114218 575900759 /nfs/dbraw/zinc/90/07/59/575900759.db2.gz OGLVNQRBTUBLBW-QGZVFWFLSA-N -1 0 337.331 3.106 20 30 EGEDRM C/C(=C\C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1cccc(F)c1 ZINC000736121826 575902500 /nfs/dbraw/zinc/90/25/00/575902500.db2.gz UVMZYDYHJAIRPL-PEKVBPLLSA-N -1 0 339.322 3.470 20 30 EGEDRM CC(C)[C@H](NC(=O)[O-])C(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000736201190 575914309 /nfs/dbraw/zinc/91/43/09/575914309.db2.gz GZOGIVGQNUMIBI-RISCZKNCSA-N -1 0 335.429 3.169 20 30 EGEDRM C[C@@](C#N)(CCc1ccccc1)NC(=O)c1ccc(NC(=O)[O-])cc1 ZINC000736202582 575914928 /nfs/dbraw/zinc/91/49/28/575914928.db2.gz ORIXPHZCCYEFBM-IBGZPJMESA-N -1 0 337.379 3.421 20 30 EGEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)CCCN(C)C(=O)[O-] ZINC000736202374 575914971 /nfs/dbraw/zinc/91/49/71/575914971.db2.gz MWACBDWBWDSCLV-LBPRGKRZSA-N -1 0 335.429 3.267 20 30 EGEDRM C[C@@H](C#N)CN(C)C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000736202012 575914995 /nfs/dbraw/zinc/91/49/95/575914995.db2.gz LRSLLUBWJFFIFJ-LBPRGKRZSA-N -1 0 335.429 3.018 20 30 EGEDRM CC(C)C[C@@H](NC(=O)[O-])C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 ZINC000736414812 575953534 /nfs/dbraw/zinc/95/35/34/575953534.db2.gz JPDYCYPIBFOWIV-CMPLNLGQSA-N -1 0 349.387 3.294 20 30 EGEDRM C[C@@H](CSCC(=O)C=C1N(C)c2ccccc2C1(C)C)C(=O)[O-] ZINC000736619465 575990739 /nfs/dbraw/zinc/99/07/39/575990739.db2.gz UIHYFOVDVMLYMW-PFSWGADMSA-N -1 0 333.453 3.321 20 30 EGEDRM C[C@H](Oc1ccccc1C#N)c1nc(-c2ccc(C(=O)[O-])cc2)no1 ZINC000736708877 576010804 /nfs/dbraw/zinc/01/08/04/576010804.db2.gz XTCIJHSTIMXHOJ-NSHDSACASA-N -1 0 335.319 3.446 20 30 EGEDRM CC[C@@H](Nc1ccccc1)C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736924684 576061625 /nfs/dbraw/zinc/06/16/25/576061625.db2.gz NZLLRPOHMIJBBB-IAGOWNOFSA-N -1 0 338.363 3.118 20 30 EGEDRM CCOC(=O)Nc1ccc(N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000737146499 576124371 /nfs/dbraw/zinc/12/43/71/576124371.db2.gz MHQLXWREJNMVEB-MRXNPFEDSA-N -1 0 339.351 3.364 20 30 EGEDRM CCSc1cc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)ccn1 ZINC000737231694 576140262 /nfs/dbraw/zinc/14/02/62/576140262.db2.gz QFWAOITYKPLRBL-HNNXBMFYSA-N -1 0 342.376 3.048 20 30 EGEDRM CCc1[nH]c(C(=O)N(CCC#N)c2ccc(F)cc2)c(C)c1C(=O)[O-] ZINC000737241136 576146329 /nfs/dbraw/zinc/14/63/29/576146329.db2.gz KBQTZHGURCJSNS-UHFFFAOYSA-N -1 0 343.358 3.283 20 30 EGEDRM Cc1[nH]c2ccccc2c1C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000738247208 576305549 /nfs/dbraw/zinc/30/55/49/576305549.db2.gz WUHHJDSTLUXFLV-KRWDZBQOSA-N -1 0 334.331 3.331 20 30 EGEDRM Cc1cccc(OCCC(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000738733715 576356706 /nfs/dbraw/zinc/35/67/06/576356706.db2.gz CUUBLDONDGPJLN-SFHVURJKSA-N -1 0 339.347 3.005 20 30 EGEDRM N#C[C@H](C(=O)c1ccc(C(=O)[O-])cc1)c1nc(-c2ccncc2)cs1 ZINC000739074487 576376911 /nfs/dbraw/zinc/37/69/11/576376911.db2.gz KHYWOCJCGQGYAD-CQSZACIVSA-N -1 0 349.371 3.393 20 30 EGEDRM N#Cc1cc(NCCOc2ccc(C(=O)[O-])cc2)nc2ccccc12 ZINC000739098883 576377897 /nfs/dbraw/zinc/37/78/97/576377897.db2.gz JNJHUGGLISYXDC-UHFFFAOYSA-N -1 0 333.347 3.296 20 30 EGEDRM N#Cc1ccc([C@@H](OC(=O)C23CC4CC(CC(C4)C2)C3)C(=O)[O-])cc1 ZINC000739107350 576378352 /nfs/dbraw/zinc/37/83/52/576378352.db2.gz AOEBIAXOVMKDEA-SJFHUFEGSA-N -1 0 339.391 3.444 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)[C@@H]2CCCc3ccccc32)C(=O)[O-])cc1 ZINC000739109523 576378480 /nfs/dbraw/zinc/37/84/80/576378480.db2.gz LSNVUIIGZDQDKO-MSOLQXFVSA-N -1 0 335.359 3.347 20 30 EGEDRM N#Cc1ccc(CNC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)c(F)c1 ZINC000739118516 576378936 /nfs/dbraw/zinc/37/89/36/576378936.db2.gz UEVVKKNRXOAGPQ-UHFFFAOYSA-N -1 0 347.733 3.371 20 30 EGEDRM N#Cc1ccc(Oc2cccc(C(=O)NCCCCC(=O)[O-])c2)cc1 ZINC000739129848 576379221 /nfs/dbraw/zinc/37/92/21/576379221.db2.gz HOLAOAAASPLADA-UHFFFAOYSA-N -1 0 338.363 3.335 20 30 EGEDRM N#Cc1cccc(OCCCCC(=O)Oc2ccccc2C(=O)[O-])c1 ZINC000739139882 576379554 /nfs/dbraw/zinc/37/95/54/576379554.db2.gz LFGRUCVYCCUILI-UHFFFAOYSA-N -1 0 339.347 3.411 20 30 EGEDRM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1 ZINC000739573923 576430857 /nfs/dbraw/zinc/43/08/57/576430857.db2.gz MVSCJYAEDVOPRU-IRXDYDNUSA-N -1 0 348.402 3.311 20 30 EGEDRM O=C([O-])c1ccc(COc2ccccc2C=NNCC(F)F)cc1 ZINC000740136764 576553468 /nfs/dbraw/zinc/55/34/68/576553468.db2.gz PHXDDYUHSSVRAK-UHFFFAOYSA-N -1 0 334.322 3.152 20 30 EGEDRM O=C([O-])c1ccc2[nH]cc(C=NNCc3cc(F)ccc3F)c2c1 ZINC000740188566 576562232 /nfs/dbraw/zinc/56/22/32/576562232.db2.gz BXXSXWQOJWQWSL-UHFFFAOYSA-N -1 0 329.306 3.268 20 30 EGEDRM O=C([O-])c1ccc2[nH]cc(C=NNC(=S)Nc3ccccc3)c2c1 ZINC000740190185 576562480 /nfs/dbraw/zinc/56/24/80/576562480.db2.gz LUDYXSXXBNNKFS-UHFFFAOYSA-N -1 0 338.392 3.187 20 30 EGEDRM O=C([O-])c1occc1CN=Nc1nc(-c2ccc(Cl)cc2)no1 ZINC000740282389 576573894 /nfs/dbraw/zinc/57/38/94/576573894.db2.gz WFYFENTXDVUWSJ-UHFFFAOYSA-N -1 0 332.703 3.127 20 30 EGEDRM CCOc1ccc(/C=N\[C@@H]2CCN(c3ccc(C)cc3)C2=O)c(O)c1 ZINC000741465897 576688238 /nfs/dbraw/zinc/68/82/38/576688238.db2.gz ZGQZMJMMZNWINP-LZAZYHHXSA-N -1 0 338.407 3.324 20 30 EGEDRM C[C@H](Oc1cccc(C(=O)/C=C\c2cccc3c2OCO3)c1)C(=O)[O-] ZINC000745020286 576838649 /nfs/dbraw/zinc/83/86/49/576838649.db2.gz CXRDWUKNOMYDRH-LAUAKBEESA-N -1 0 340.331 3.163 20 30 EGEDRM N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCCC(=O)[O-])cc1 ZINC000819084634 597308546 /nfs/dbraw/zinc/30/85/46/597308546.db2.gz VWVQMUTXZVBKFN-KRWDZBQOSA-N -1 0 337.379 3.328 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)OCc1cccc(SC(F)(F)F)c1 ZINC000819875225 597672676 /nfs/dbraw/zinc/67/26/76/597672676.db2.gz VSUYADFXYDBMQE-CYBMUJFWSA-N -1 0 347.314 3.346 20 30 EGEDRM N#Cc1cc(NC(=O)c2cccc(C(=O)[O-])c2)c(Cl)c([N+](=O)[O-])c1 ZINC000821329653 598151001 /nfs/dbraw/zinc/15/10/01/598151001.db2.gz DPZUITXOLIQDHE-UHFFFAOYSA-N -1 0 345.698 3.070 20 30 EGEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000820071592 598206871 /nfs/dbraw/zinc/20/68/71/598206871.db2.gz BJTNBJRGQNBLDF-DGCLKSJQSA-N -1 0 333.413 3.162 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000819847122 598221533 /nfs/dbraw/zinc/22/15/33/598221533.db2.gz KDGVPWPXMKOQPC-LJQANCHMSA-N -1 0 348.362 3.173 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1cccc(COc2ccccc2)c1 ZINC000819857482 598224712 /nfs/dbraw/zinc/22/47/12/598224712.db2.gz XQKOSHTZDHZZES-LJQANCHMSA-N -1 0 338.363 3.209 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccccc1CCC(F)(F)F ZINC000819856278 598230034 /nfs/dbraw/zinc/23/00/34/598230034.db2.gz IGABZPKKSSCPNH-AWEZNQCLSA-N -1 0 328.290 3.125 20 30 EGEDRM C=CCOc1ccc(C(=O)Nc2cc(OC)ccc2C(=O)[O-])cc1 ZINC000325803356 600002034 /nfs/dbraw/zinc/00/20/34/600002034.db2.gz PTJMFIRDNLYVOT-UHFFFAOYSA-N -1 0 327.336 3.211 20 30 EGEDRM C=CCn1c(SC/C=C(/C)C(=O)[O-])nnc1-c1ccc(F)cc1 ZINC000825711131 600726196 /nfs/dbraw/zinc/72/61/96/600726196.db2.gz PVFGKNNQRNVNOH-FLIBITNWSA-N -1 0 333.388 3.393 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)CC[C@H]1CC[C@@H](C)O1 ZINC000825702514 600967009 /nfs/dbraw/zinc/96/70/09/600967009.db2.gz PIGMCQVEDQRTCT-IUODEOHRSA-N -1 0 348.395 3.375 20 30 EGEDRM C=CCN(CC1CCCCC1)S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000825681568 601221185 /nfs/dbraw/zinc/22/11/85/601221185.db2.gz CFGAYTRDLBRQRI-UHFFFAOYSA-N -1 0 341.429 3.043 20 30 EGEDRM C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccnc(C(=O)[O-])c1 ZINC000827218662 601285739 /nfs/dbraw/zinc/28/57/39/601285739.db2.gz ROFXBWIQEVJGEV-NSHDSACASA-N -1 0 341.392 3.426 20 30 EGEDRM CC(C)C(=O)Nc1ccc(N[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000826658382 601297246 /nfs/dbraw/zinc/29/72/46/601297246.db2.gz OWKZEIIMEUJSQC-QGZVFWFLSA-N -1 0 337.379 3.391 20 30 EGEDRM CC(C)C(=O)Nc1ccc(N[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000826658381 601297432 /nfs/dbraw/zinc/29/74/32/601297432.db2.gz OWKZEIIMEUJSQC-KRWDZBQOSA-N -1 0 337.379 3.391 20 30 EGEDRM N#Cc1cccc([C@H](Nc2ccc(OCC(F)F)cc2)C(=O)[O-])c1 ZINC000833075906 601307184 /nfs/dbraw/zinc/30/71/84/601307184.db2.gz OEBWUPPTISDBSM-INIZCTEOSA-N -1 0 332.306 3.440 20 30 EGEDRM CN(Cc1nc2ccccc2s1)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830879606 601310432 /nfs/dbraw/zinc/31/04/32/601310432.db2.gz RLOHPWKGSWZDHE-KRWDZBQOSA-N -1 0 337.404 3.426 20 30 EGEDRM Cc1cc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c2ccccc2n1 ZINC000832867927 601343413 /nfs/dbraw/zinc/34/34/13/601343413.db2.gz GGKMANBDNYQLOL-SFHVURJKSA-N -1 0 346.342 3.398 20 30 EGEDRM N#Cc1cccc([C@@H](OC(=O)c2ccc3ncsc3c2)C(=O)[O-])c1 ZINC000833075456 601343880 /nfs/dbraw/zinc/34/38/80/601343880.db2.gz BJZAGWSNAIPABW-OAHLLOKOSA-N -1 0 338.344 3.151 20 30 EGEDRM N#Cc1cccc([C@H](OC(=O)c2ccc(OC(F)F)cc2)C(=O)[O-])c1 ZINC000833077188 601343914 /nfs/dbraw/zinc/34/39/14/601343914.db2.gz MMBZZELNCIVWND-AWEZNQCLSA-N -1 0 347.273 3.142 20 30 EGEDRM Cc1cccc(OCCC(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000832972060 601344260 /nfs/dbraw/zinc/34/42/60/601344260.db2.gz HVOPBFKHPQDPBH-GOSISDBHSA-N -1 0 339.347 3.005 20 30 EGEDRM Cn1cc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c2ccccc21 ZINC000833042263 601346889 /nfs/dbraw/zinc/34/68/89/601346889.db2.gz LFSHKIHSYWDNRA-KRWDZBQOSA-N -1 0 334.331 3.033 20 30 EGEDRM Cc1cccc(O[C@H](C)C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000832972488 601347002 /nfs/dbraw/zinc/34/70/02/601347002.db2.gz CHMILMMNIPJEIM-CXAGYDPISA-N -1 0 339.347 3.003 20 30 EGEDRM CCCc1nc(C)c(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)s1 ZINC000829571030 601349014 /nfs/dbraw/zinc/34/90/14/601349014.db2.gz ODHFFJKJDBCYHB-AWEZNQCLSA-N -1 0 344.392 3.258 20 30 EGEDRM COc1cc(Cl)ccc1C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832004232 601351004 /nfs/dbraw/zinc/35/10/04/601351004.db2.gz MFWNSIGJXTZZDI-OAHLLOKOSA-N -1 0 345.738 3.203 20 30 EGEDRM Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(C(=O)[O-])[nH]3)S2)c(C)c1 ZINC000832949114 601445593 /nfs/dbraw/zinc/44/55/93/601445593.db2.gz PGAWSODNNMBXHF-ZSOIEALJSA-N -1 0 341.392 3.221 20 30 EGEDRM C[C@H](C#N)CSc1ccccc1NC(=O)NCC(C)(C)C(=O)[O-] ZINC000825966790 601756388 /nfs/dbraw/zinc/75/63/88/601756388.db2.gz NFNKWFUBESVLQV-LLVKDONJSA-N -1 0 335.429 3.171 20 30 EGEDRM COc1cc(C(=O)/C=C\c2c[nH]c(C(=O)[O-])c2)ccc1OC(F)F ZINC000831860853 601791940 /nfs/dbraw/zinc/79/19/40/601791940.db2.gz GHVVPXFZLXTBHO-RQOWECAXSA-N -1 0 337.278 3.219 20 30 EGEDRM O=C([O-])c1cc(/C=C2/Oc3ccc(Br)cc3C2=O)c[nH]1 ZINC000833297490 601793388 /nfs/dbraw/zinc/79/33/88/601793388.db2.gz GVGNAYZNCDXQBJ-UUILKARUSA-N -1 0 334.125 3.092 20 30 EGEDRM C=CCOCC(=O)Nc1cc(C(=O)[O-])ccc1OCc1ccccc1 ZINC000825691879 602062208 /nfs/dbraw/zinc/06/22/08/602062208.db2.gz BZBZQRMGZQWIKP-UHFFFAOYSA-N -1 0 341.363 3.105 20 30 EGEDRM N#Cc1ccc([C@@H](OC(=O)c2c[nH]c3ccc(F)cc32)C(=O)[O-])cc1 ZINC000833073109 602104680 /nfs/dbraw/zinc/10/46/80/602104680.db2.gz VRIBUOUVDWSCNT-MRXNPFEDSA-N -1 0 338.294 3.161 20 30 EGEDRM CCn1nc(C)c(C(=O)/C=C/c2ccc(O[C@@H](C)C(=O)[O-])cc2)c1C ZINC000830440814 602110196 /nfs/dbraw/zinc/11/01/96/602110196.db2.gz IDYFZYCBGGTTSC-ZHZWZMEUSA-N -1 0 342.395 3.268 20 30 EGEDRM C[C@@H](CC(=O)[O-])C(=O)Oc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000827349019 602195756 /nfs/dbraw/zinc/19/57/56/602195756.db2.gz NFDBWHSDGLKDMI-LBPRGKRZSA-N -1 0 325.320 3.367 20 30 EGEDRM N#Cc1cccc(S[C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)c1 ZINC000833075008 602290571 /nfs/dbraw/zinc/29/05/71/602290571.db2.gz IWCUMDPPKJRSKG-CYBMUJFWSA-N -1 0 344.417 3.216 20 30 EGEDRM Cc1ccc(CC(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c(Cl)c1 ZINC000832928188 602341980 /nfs/dbraw/zinc/34/19/80/602341980.db2.gz ANYDDOTWCNPVJP-KRWDZBQOSA-N -1 0 343.766 3.432 20 30 EGEDRM Cc1cc(COC(=O)C(C)(C)Oc2ccc(C#N)cc2)oc1C(=O)[O-] ZINC000832885320 604411820 /nfs/dbraw/zinc/41/18/20/604411820.db2.gz MGYIAEDFYFBKTJ-UHFFFAOYSA-N -1 0 343.335 3.059 20 30 EGEDRM C=CCC[C@H](NC(=O)N[C@H]1CCCN(C(=O)[O-])C1)c1ccccc1 ZINC000825664777 604507633 /nfs/dbraw/zinc/50/76/33/604507633.db2.gz KYIQDGGXBRWXCH-HOTGVXAUSA-N -1 0 331.416 3.136 20 30 EGEDRM C=CCC[C@@H](NC(=O)N[C@@H]1CCCN(C(=O)[O-])C1)c1ccccc1 ZINC000825664778 604507822 /nfs/dbraw/zinc/50/78/22/604507822.db2.gz KYIQDGGXBRWXCH-HZPDHXFCSA-N -1 0 331.416 3.136 20 30 EGEDRM C=CCN(Cc1c(C)nn(CCC(=O)[O-])c1C)Cc1ccccc1 ZINC000833375921 604551835 /nfs/dbraw/zinc/55/18/35/604551835.db2.gz JKEWFZROBZIYNE-UHFFFAOYSA-N -1 0 327.428 3.163 20 30 EGEDRM Cc1c(C#N)cccc1NC(=O)N[C@@H]1CCCCCC[C@H]1C(=O)[O-] ZINC000832849568 604557617 /nfs/dbraw/zinc/55/76/17/604557617.db2.gz JHZCTSOTTZAJFC-GDBMZVCRSA-N -1 0 329.400 3.412 20 30 EGEDRM CC(C)c1nc([C@H]2CCCN2Cc2cccc(C(=O)[O-])c2C#N)no1 ZINC000833512289 604607724 /nfs/dbraw/zinc/60/77/24/604607724.db2.gz KPQBAHGUVAYOEF-OAHLLOKOSA-N -1 0 340.383 3.100 20 30 EGEDRM CC(C)(Oc1ccc(C#N)cc1)C(=O)OCc1ccc(C(=O)[O-])cc1 ZINC000826641743 604616316 /nfs/dbraw/zinc/61/63/16/604616316.db2.gz GYRXYAWEFLAKRL-UHFFFAOYSA-N -1 0 339.347 3.157 20 30 EGEDRM CC(C)Oc1ccc(NC(=O)NCC2(C(=O)[O-])CCCC2)cc1C#N ZINC000827054619 604639223 /nfs/dbraw/zinc/63/92/23/604639223.db2.gz MFCRKAUMAFQJTG-UHFFFAOYSA-N -1 0 345.399 3.112 20 30 EGEDRM CC(N=Nc1ccc(C(=O)[O-])cn1)c1ccc(Br)s1 ZINC000763369005 604666887 /nfs/dbraw/zinc/66/68/87/604666887.db2.gz DPELOSSUQZOLPR-UHFFFAOYSA-N -1 0 340.202 3.440 20 30 EGEDRM Cc1nn(-c2ccccc2)c(C)c1C(C)N=Nc1ccc(C(=O)[O-])cn1 ZINC000763371714 604669265 /nfs/dbraw/zinc/66/92/65/604669265.db2.gz JHFSUXNUNYACER-UHFFFAOYSA-N -1 0 349.394 3.418 20 30 EGEDRM Cc1ccc2ncc(/C=C\C(=O)c3ccc(OCC(=O)[O-])cc3)n2c1 ZINC000832959840 604973816 /nfs/dbraw/zinc/97/38/16/604973816.db2.gz ITYAOMJSHVTUAI-YVMONPNESA-N -1 0 336.347 3.002 20 30 EGEDRM C=CCC[C@H](NC(=O)CCNC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000833373310 605003168 /nfs/dbraw/zinc/00/31/68/605003168.db2.gz KVTITPRRYUVQEZ-ZDUSSCGKSA-N -1 0 344.333 3.487 20 30 EGEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)c1cncc(C(=O)[O-])c1 ZINC000833515877 605030056 /nfs/dbraw/zinc/03/00/56/605030056.db2.gz OBDQLPATMNSQRV-LLVKDONJSA-N -1 0 341.392 3.426 20 30 EGEDRM CC(=NNc1ccc(C(=O)[O-])c(Cl)c1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000833386740 605158637 /nfs/dbraw/zinc/15/86/37/605158637.db2.gz WILVSWIOBGKBHX-UHFFFAOYSA-N -1 0 344.758 3.456 20 30 EGEDRM CC(C)(C#N)CCN1CCN([C@H](C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC000833407340 605190184 /nfs/dbraw/zinc/19/01/84/605190184.db2.gz JXIOOPONTDVGFE-INIZCTEOSA-N -1 0 349.862 3.023 20 30 EGEDRM C=CCOc1cccc(N[C@H](C(=O)[O-])c2cccc(C(=O)OC)c2)c1 ZINC000833378515 605193859 /nfs/dbraw/zinc/19/38/59/605193859.db2.gz IKWVMXZUPDVXQY-KRWDZBQOSA-N -1 0 341.363 3.276 20 30 EGEDRM C=CCCCCCN(C)S(=O)(=O)c1ccc(C)cc1C(=O)[O-] ZINC000833374350 605205847 /nfs/dbraw/zinc/20/58/47/605205847.db2.gz YNNVZQKVBXPLIJ-UHFFFAOYSA-N -1 0 325.430 3.060 20 30 EGEDRM CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)c2c[nH]c(C#N)c2)cc1 ZINC000833450768 605216208 /nfs/dbraw/zinc/21/62/08/605216208.db2.gz ZPDACMHFHJLRFW-MRXNPFEDSA-N -1 0 339.395 3.130 20 30 EGEDRM C=CCn1c(C)nnc1S[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000833379978 605334580 /nfs/dbraw/zinc/33/45/80/605334580.db2.gz SEICOUHUHDZACL-GFCCVEGCSA-N -1 0 341.795 3.483 20 30 EGEDRM C[C@]1(C#N)CCCN([C@H](C(=O)[O-])c2cccc(Br)c2)C1 ZINC000833551040 605416347 /nfs/dbraw/zinc/41/63/47/605416347.db2.gz GCXLZPZETSQZOO-DZGCQCFKSA-N -1 0 337.217 3.200 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@H]1CCO[C@@H](CC)C1 ZINC000833379451 605577881 /nfs/dbraw/zinc/57/78/81/605577881.db2.gz CQCMJKHVGSQMSA-ZFWWWQNUSA-N -1 0 348.395 3.233 20 30 EGEDRM CC(=NNc1cccc(C(=O)[O-])c1)c1ccc(N2CCOC2=O)cc1 ZINC000748579452 605592588 /nfs/dbraw/zinc/59/25/88/605592588.db2.gz HOZBBWXRMHBRQX-UHFFFAOYSA-N -1 0 339.351 3.178 20 30 EGEDRM O=C([N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1cccs1 ZINC000042241244 1291437205 /nfs/dbraw/zinc/43/72/05/1291437205.db2.gz ABFCZGNXVOJBAW-UHFFFAOYSA-N -1 0 346.773 3.003 20 30 EGEDRM COc1cccc(CCC(=O)[N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000042249908 1291438307 /nfs/dbraw/zinc/43/83/07/1291438307.db2.gz CGGVQROBVPURMY-UHFFFAOYSA-N -1 0 337.372 3.112 20 30 EGEDRM O=C(CC1CCCCC1)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000042339495 1291441435 /nfs/dbraw/zinc/44/14/35/1291441435.db2.gz SCBXMZYRYONTQO-UHFFFAOYSA-N -1 0 340.401 3.352 20 30 EGEDRM Cc1ccc(OCC(=O)[N-]S(=O)(=O)c2ccccc2C)cc1C ZINC000046928012 1291556503 /nfs/dbraw/zinc/55/65/03/1291556503.db2.gz MKFDFSWAMOKLSZ-UHFFFAOYSA-N -1 0 333.409 3.336 20 30 EGEDRM COCCCC(=O)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000048409355 1291603706 /nfs/dbraw/zinc/60/37/06/1291603706.db2.gz KWRGSWFQJDQGMS-UHFFFAOYSA-N -1 0 326.201 3.065 20 30 EGEDRM CCC(=O)Nc1cccc(C(=O)[N-]S(=O)(=O)c2ccccc2C)c1 ZINC000048426176 1291604547 /nfs/dbraw/zinc/60/45/47/1291604547.db2.gz OEBYIRXBFCEXSU-UHFFFAOYSA-N -1 0 346.408 3.037 20 30 EGEDRM O=C(COC1CCCCC1)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000048418181 1291604575 /nfs/dbraw/zinc/60/45/75/1291604575.db2.gz VASDDUQSYFYRND-UHFFFAOYSA-N -1 0 331.821 3.335 20 30 EGEDRM CS[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000048519751 1291608838 /nfs/dbraw/zinc/60/88/38/1291608838.db2.gz VUDJLGGJHOAWIW-SSDOTTSWSA-N -1 0 327.349 3.102 20 30 EGEDRM O=C(COc1ccc2c(c1)CCC2)[N-]S(=O)(=O)c1ccccc1F ZINC000048587573 1291612184 /nfs/dbraw/zinc/61/21/84/1291612184.db2.gz SVIXLFPDRGZGFJ-UHFFFAOYSA-N -1 0 349.383 3.039 20 30 EGEDRM O=C(Cc1c[nH]c2ccccc12)[N-]S(=O)(=O)c1ccccc1F ZINC000048587298 1291612798 /nfs/dbraw/zinc/61/27/98/1291612798.db2.gz LFPULHDPGXSBCY-UHFFFAOYSA-N -1 0 332.356 3.195 20 30 EGEDRM CN(Cc1ccccc1)S(=O)(=O)[N-]C(=O)CCc1ccsc1 ZINC000048677122 1291615754 /nfs/dbraw/zinc/61/57/54/1291615754.db2.gz UDWYAHIZAWVCSY-UHFFFAOYSA-N -1 0 338.454 3.014 20 30 EGEDRM CC(=CC(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000054422305 1291751351 /nfs/dbraw/zinc/75/13/51/1291751351.db2.gz QTQURQMYQCENKK-ZRDIBKRKSA-N -1 0 346.364 3.344 20 30 EGEDRM CCOc1cccc(C(=O)[N-]S(=O)(=O)C=Cc2ccccc2)c1 ZINC000054801415 1291763127 /nfs/dbraw/zinc/76/31/27/1291763127.db2.gz XWOGCWGEBSWWLS-QXMHVHEDSA-N -1 0 331.393 3.391 20 30 EGEDRM COc1ccc(CCC(=O)[N-]S(=O)(=O)C2CCCCC2)cc1 ZINC000058070773 1291876851 /nfs/dbraw/zinc/87/68/51/1291876851.db2.gz KYLXMHNXYYIGMP-UHFFFAOYSA-N -1 0 325.430 3.247 20 30 EGEDRM Cn1cc(CC(=O)[N-]S(=O)(=O)c2cccs2)c2ccccc21 ZINC000062674064 1291996437 /nfs/dbraw/zinc/99/64/37/1291996437.db2.gz HGSWTJQKHOHWOT-UHFFFAOYSA-N -1 0 334.422 3.128 20 30 EGEDRM CCO[C@@H](CC)C(=O)[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000066002753 1292103457 /nfs/dbraw/zinc/10/34/57/1292103457.db2.gz YIYPZCXFJWRRDO-NSHDSACASA-N -1 0 339.335 3.166 20 30 EGEDRM CCO[C@H](CC)C(=O)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000066504376 1292118689 /nfs/dbraw/zinc/11/86/89/1292118689.db2.gz WCUPNEDZKUDJPI-SNVBAGLBSA-N -1 0 339.335 3.166 20 30 EGEDRM CCO[C@@H](CC)C(=O)[N-]S(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000066504375 1292119092 /nfs/dbraw/zinc/11/90/92/1292119092.db2.gz BMIVQVKLOKAOLY-AWEZNQCLSA-N -1 0 327.446 3.381 20 30 EGEDRM C[C@@H](Cc1cccc(F)c1)C(=O)[N-]S(=O)(=O)c1cccs1 ZINC000069282384 1292238137 /nfs/dbraw/zinc/23/81/37/1292238137.db2.gz BSDKQOSLHQSHOQ-JTQLQIEISA-N -1 0 327.402 3.411 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)COCc2ccccc2)cc1C ZINC000069534797 1292244903 /nfs/dbraw/zinc/24/49/03/1292244903.db2.gz VMGKTRHFUJNKQM-UHFFFAOYSA-N -1 0 333.409 3.165 20 30 EGEDRM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(Cl)nc1 ZINC000071080485 1292267114 /nfs/dbraw/zinc/26/71/14/1292267114.db2.gz NSQHSWJTTBQCFX-UHFFFAOYSA-N -1 0 328.180 3.061 20 30 EGEDRM COc1cc(C)sc1C(=O)[N-]S(=O)(=O)CC1CCCCC1 ZINC000073266384 1292312425 /nfs/dbraw/zinc/31/24/25/1292312425.db2.gz XSIQPWOJIBFQPQ-UHFFFAOYSA-N -1 0 331.459 3.280 20 30 EGEDRM CCc1ccc([C@H](C)NC(=O)c2cc(C#N)c(SC)[n-]c2=O)cc1 ZINC000074343997 1292345248 /nfs/dbraw/zinc/34/52/48/1292345248.db2.gz GZQHCBSWEQLFEY-NSHDSACASA-N -1 0 341.436 3.434 20 30 EGEDRM CCc1ccc([C@@H](C)NC(=O)c2cc(C#N)c(SC)[n-]c2=O)cc1 ZINC000074343996 1292345446 /nfs/dbraw/zinc/34/54/46/1292345446.db2.gz GZQHCBSWEQLFEY-LLVKDONJSA-N -1 0 341.436 3.434 20 30 EGEDRM O=C([N-]S(=O)(=O)c1ccccc1)c1cccn1Cc1ccccc1 ZINC000075777240 1292410879 /nfs/dbraw/zinc/41/08/79/1292410879.db2.gz BMKQHIRMYBJWQY-UHFFFAOYSA-N -1 0 340.404 3.230 20 30 EGEDRM C[C@@H]1CC[C@@H](CCC(=O)[N-]S(=O)(=O)c2ccccc2Cl)O1 ZINC000076764988 1292441913 /nfs/dbraw/zinc/44/19/13/1292441913.db2.gz JTAQVVXUQPXJBI-MNOVXSKESA-N -1 0 331.821 3.333 20 30 EGEDRM O=C([N-]S(=O)(=O)Cc1ccccc1Cl)c1cccc(F)c1F ZINC000083791775 1292690111 /nfs/dbraw/zinc/69/01/11/1292690111.db2.gz BGGQQSBXAJMMDK-UHFFFAOYSA-N -1 0 345.754 3.453 20 30 EGEDRM Cc1cc(C(=O)[N-]S(=O)(=O)C2CCCC2)cc(C)c1OC(F)F ZINC000086054483 1292727533 /nfs/dbraw/zinc/72/75/33/1292727533.db2.gz LXFSDWYXHOFDEW-UHFFFAOYSA-N -1 0 347.383 3.482 20 30 EGEDRM O=C(CCc1cnn(-c2ccccc2)c1)[N-]S(=O)(=O)C1CCCC1 ZINC000086055599 1292728305 /nfs/dbraw/zinc/72/83/05/1292728305.db2.gz AUUKKKRQBWGDKJ-UHFFFAOYSA-N -1 0 347.440 3.034 20 30 EGEDRM COc1ccc([C@@H](C)CC(=O)[N-]S(=O)(=O)C2CCCC2)cc1 ZINC000086055620 1292728478 /nfs/dbraw/zinc/72/84/78/1292728478.db2.gz NOJAPAKMOFOEHF-LBPRGKRZSA-N -1 0 325.430 3.418 20 30 EGEDRM Cc1cc(OCC(=O)[N-]S(=O)(=O)C2CCCC2)ccc1Cl ZINC000086056408 1292728557 /nfs/dbraw/zinc/72/85/57/1292728557.db2.gz WMHQJHLROJGYQU-UHFFFAOYSA-N -1 0 331.821 3.256 20 30 EGEDRM COc1ccc(-n2nc(C(=O)Nc3cc(C#N)ccc3[O-])cc2C)cc1 ZINC000092551849 1292875315 /nfs/dbraw/zinc/87/53/15/1292875315.db2.gz OEBOCVJWHSETHP-UHFFFAOYSA-N -1 0 348.362 3.019 20 30 EGEDRM CC(C)(C)CCCC(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000107022503 1293057941 /nfs/dbraw/zinc/05/79/41/1293057941.db2.gz YTKQEMFRLUVONL-UHFFFAOYSA-N -1 0 342.848 3.233 20 30 EGEDRM COCCOc1ccc(/C=C/C(=O)c2ccc(O)c(OC)c2)cc1 ZINC000107099235 1293060051 /nfs/dbraw/zinc/06/00/51/1293060051.db2.gz QRRSHDLQZPBRPF-WEVVVXLNSA-N -1 0 328.364 3.322 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2cccc(Cl)c2Cl)C(=O)O1 ZINC000107976665 1293073676 /nfs/dbraw/zinc/07/36/76/1293073676.db2.gz HBMSTBYEEFSHPA-SZZPACECSA-N -1 0 325.147 3.222 20 30 EGEDRM C[C@@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1 ZINC000114622021 1293174094 /nfs/dbraw/zinc/17/40/94/1293174094.db2.gz XPPUBAKYOOWHBA-AWEZNQCLSA-N -1 0 348.468 3.111 20 30 EGEDRM CC(=NN[C@@H]1CCOC1(C)C)c1cc(Br)cc(F)c1[O-] ZINC000835015209 1293188608 /nfs/dbraw/zinc/18/86/08/1293188608.db2.gz BWDZQDLJLXZXRZ-GFCCVEGCSA-N -1 0 345.212 3.175 20 30 EGEDRM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ccn(CCC#N)n1 ZINC000117740934 1293224693 /nfs/dbraw/zinc/22/46/93/1293224693.db2.gz ZDNXPTRVORMBKC-UHFFFAOYSA-N -1 0 346.456 3.204 20 30 EGEDRM CC(=Cc1ccccc1Cl)C(O)=C(C#N)C(=O)c1nccn1C ZINC000119054935 1293252464 /nfs/dbraw/zinc/25/24/64/1293252464.db2.gz WNPSKTGFMLHSBA-PRWOLLLXSA-N -1 0 327.771 3.069 20 30 EGEDRM C[C@H](Oc1cccc(C(=O)/C=C/c2cnc3ccccn23)c1)C(=O)[O-] ZINC000119135539 1293256758 /nfs/dbraw/zinc/25/67/58/1293256758.db2.gz ZDLWWELIWILPMK-XEHSLEBBSA-N -1 0 336.347 3.082 20 30 EGEDRM CCCCOc1ccc(C([O-])=C(C#N)C(=O)NC2CCCC2)cc1 ZINC000119708675 1293284724 /nfs/dbraw/zinc/28/47/24/1293284724.db2.gz HOACQRYGJBOXMV-KRWDZBQOSA-N -1 0 328.412 3.247 20 30 EGEDRM Cc1nc(-c2ccccc2)sc1C([O-])=C(C#N)C(=O)N1CCCC1 ZINC000124581103 1293479817 /nfs/dbraw/zinc/47/98/17/1293479817.db2.gz DGZJXBYZFUPBRV-AWEZNQCLSA-N -1 0 339.420 3.063 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cccc(OC(F)F)c1 ZINC000125672686 1293514244 /nfs/dbraw/zinc/51/42/44/1293514244.db2.gz GSOXQJHHSRXPQM-CQSZACIVSA-N -1 0 338.354 3.307 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)C(=O)NCc2ccccc2)c(C)n1C(C)C ZINC000126720008 1293542417 /nfs/dbraw/zinc/54/24/17/1293542417.db2.gz PWBPLDQCOWLYBV-SFHVURJKSA-N -1 0 337.423 3.325 20 30 EGEDRM N#CC(C(=O)NC1CC1)=C([O-])c1cc2c(s1)-c1ccccc1CC2 ZINC000129176926 1293616062 /nfs/dbraw/zinc/61/60/62/1293616062.db2.gz WQRPDQOKVASRFL-OAHLLOKOSA-N -1 0 336.416 3.115 20 30 EGEDRM Cc1cc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)c(C)n1-c1ccccc1C ZINC000130092576 1293644582 /nfs/dbraw/zinc/64/45/82/1293644582.db2.gz XJFCBDZLWHTLME-UHFFFAOYSA-N -1 0 344.378 3.121 20 30 EGEDRM CC(C)NC(=O)C(C#N)=C([O-])c1ccc(C2SCCS2)cc1 ZINC000130632143 1293662764 /nfs/dbraw/zinc/66/27/64/1293662764.db2.gz SOKBKNBVXPPOEF-CYBMUJFWSA-N -1 0 334.466 3.012 20 30 EGEDRM Cc1cc(Cl)ccc1C([O-])=C(C#N)C(=O)NCc1ccccc1 ZINC000132317437 1293716068 /nfs/dbraw/zinc/71/60/68/1293716068.db2.gz FHZZDSRVVCUPHS-INIZCTEOSA-N -1 0 326.783 3.287 20 30 EGEDRM C[C@H](Oc1cccc(/C=C/C(=O)c2ccc(C#N)s2)c1)C(=O)[O-] ZINC000134496993 1293774338 /nfs/dbraw/zinc/77/43/38/1293774338.db2.gz UVYYDPMQIJYRGX-ZRQQLDRUSA-N -1 0 327.361 3.368 20 30 EGEDRM C=C[C@@H](C)O[N-]C(=O)[C@@H](C)Oc1ccc(Cl)cc1Br ZINC000846543004 1321792141 /nfs/dbraw/zinc/79/21/41/1321792141.db2.gz FGHXUIYMVWMOQN-RKDXNWHRSA-N -1 0 348.624 3.492 20 30 EGEDRM C=C[C@@H](C)O[N-]C(=O)C1(c2cc(F)cc(Br)c2)CC1 ZINC000846552972 1321792739 /nfs/dbraw/zinc/79/27/39/1321792739.db2.gz UGMPFSMKIUDYHX-SECBINFHSA-N -1 0 328.181 3.242 20 30 EGEDRM COc1ccc(N[C@@H](C)c2ccc(C#N)cc2)cc1NS(C)(=O)=O ZINC000173879738 1294472602 /nfs/dbraw/zinc/47/26/02/1294472602.db2.gz YFEYOPBPNIFLTI-LBPRGKRZSA-N -1 0 345.424 3.111 20 30 EGEDRM COc1ccc(C(=O)/C=C/c2cc([O-])ccc2[N+](=O)[O-])c(OC)c1 ZINC000176378841 1294602321 /nfs/dbraw/zinc/60/23/21/1294602321.db2.gz PUDGDKLZJBBNHF-FPYGCLRLSA-N -1 0 329.308 3.214 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)Cc2csc(-c3ccoc3)n2)c1 ZINC000176409849 1294605108 /nfs/dbraw/zinc/60/51/08/1294605108.db2.gz CGUIFSPHOQTXPF-UHFFFAOYSA-N -1 0 325.349 3.162 20 30 EGEDRM CCc1nn(C)c(Cl)c1C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000179489537 1294797572 /nfs/dbraw/zinc/79/75/72/1294797572.db2.gz RVXWOXXAQDKNCY-SECBINFHSA-N -1 0 328.759 3.267 20 30 EGEDRM COc1c(C)cc(C([O-])=C(C#N)C(=O)NC2CCCCC2)cc1C ZINC000180736663 1294912331 /nfs/dbraw/zinc/91/23/31/1294912331.db2.gz SGXOCNOYLFGJIX-INIZCTEOSA-N -1 0 328.412 3.083 20 30 EGEDRM C#CCN(Cc1ccc(F)cc1)C(=O)c1cc(F)c(F)c([O-])c1F ZINC000183503352 1295125807 /nfs/dbraw/zinc/12/58/07/1295125807.db2.gz CZOHOWXSVNEALO-UHFFFAOYSA-N -1 0 337.272 3.224 20 30 EGEDRM CC#CCCCC(=O)[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000186298660 1295315844 /nfs/dbraw/zinc/31/58/44/1295315844.db2.gz BDPFMTLSYNDFEI-UHFFFAOYSA-N -1 0 341.432 3.352 20 30 EGEDRM COc1cc(/C=C2/Cc3cc(O)ccc3C2=O)cc(OC)c1OC ZINC000187223711 1295376084 /nfs/dbraw/zinc/37/60/84/1295376084.db2.gz HYTHBFRCPGPAPQ-MLPAPPSSSA-N -1 0 326.348 3.240 20 30 EGEDRM O=C([O-])COc1cccc(C(=O)/C=C/c2nccn2-c2ccccc2)c1 ZINC000191230226 1295659433 /nfs/dbraw/zinc/65/94/33/1295659433.db2.gz WGXRXNBXQFYHMM-MDZDMXLPSA-N -1 0 348.358 3.232 20 30 EGEDRM Cc1nc(-c2ccc(C([O-])=C(C#N)C(=O)NC(C)C)s2)cs1 ZINC000870142383 1295699388 /nfs/dbraw/zinc/69/93/88/1295699388.db2.gz IKKKGBRJFDGRNL-SNVBAGLBSA-N -1 0 333.438 3.027 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1csc(-c2ccccc2)n1 ZINC000193373201 1295858187 /nfs/dbraw/zinc/85/81/87/1295858187.db2.gz FLQKVRGRVQVHSJ-CQSZACIVSA-N -1 0 341.436 3.439 20 30 EGEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1cc2cc(F)ccc2s1 ZINC000193761503 1295908134 /nfs/dbraw/zinc/90/81/34/1295908134.db2.gz LHMUTWLXBYCVKW-CYBMUJFWSA-N -1 0 330.384 3.422 20 30 EGEDRM CCCCCCCCC(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000193956785 1295928063 /nfs/dbraw/zinc/92/80/63/1295928063.db2.gz UTIKVDCFVWXXSW-UHFFFAOYSA-N -1 0 342.417 3.150 20 30 EGEDRM CCCCCCCCC(=O)[N-]S(=O)(=O)c1ccc(OC)cc1 ZINC000193993703 1295930297 /nfs/dbraw/zinc/93/02/97/1295930297.db2.gz BVJOECGFJMPROM-UHFFFAOYSA-N -1 0 327.446 3.251 20 30 EGEDRM C=CC[C@H](NC(=O)Nc1ccc(Br)c(Cl)c1)C(=O)[O-] ZINC000232178345 1296172701 /nfs/dbraw/zinc/17/27/01/1296172701.db2.gz HQHFSNYXGONXTB-JTQLQIEISA-N -1 0 347.596 3.253 20 30 EGEDRM COC(=O)Cc1cccc(N=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])c1 ZINC000254994750 1296486783 /nfs/dbraw/zinc/48/67/83/1296486783.db2.gz JRZLQMQCOSGBDM-UHFFFAOYSA-N -1 0 348.742 3.420 20 30 EGEDRM C=CCc1cc(/C=C\C(=O)c2ccc(O)cc2[O-])cc(OC)c1O ZINC000255414581 1296529889 /nfs/dbraw/zinc/52/98/89/1296529889.db2.gz SQDXVEGUTFPYDE-YVMONPNESA-N -1 0 326.348 3.437 20 30 EGEDRM COC(=O)[C@@H](C/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-])CC(C)C ZINC000255842701 1296570905 /nfs/dbraw/zinc/57/09/05/1296570905.db2.gz HZIGBEGHDGQVBT-OWHAOFTHSA-N -1 0 342.779 3.208 20 30 EGEDRM O=C(/C=C\c1ccc([O-])c([N+](=O)[O-])c1)c1cnn(Cc2ccccc2)c1 ZINC000255891373 1296577124 /nfs/dbraw/zinc/57/71/24/1296577124.db2.gz SPEOOIPLAVPSMB-VURMDHGXSA-N -1 0 349.346 3.441 20 30 EGEDRM C=CCC[C@@H](NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000262952367 1296654845 /nfs/dbraw/zinc/65/48/45/1296654845.db2.gz QSBXJZZOPAUVCQ-CYBMUJFWSA-N -1 0 334.372 3.042 20 30 EGEDRM C=CCC[C@@H](NC(=O)[C@H](C)Oc1cccc2ccccc21)C(=O)[O-] ZINC000263519674 1296688329 /nfs/dbraw/zinc/68/83/29/1296688329.db2.gz GNDNDOMXNXGXFP-XJKSGUPXSA-N -1 0 327.380 3.143 20 30 EGEDRM C#CCCCCC(=O)[N-]S(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000873582631 1297609571 /nfs/dbraw/zinc/60/95/71/1297609571.db2.gz ORPYKZCOLIIOPZ-UHFFFAOYSA-N -1 0 348.251 3.133 20 30 EGEDRM O=C([O-])c1cc(C(=O)/C=C\c2nccn2CC(F)(F)F)cs1 ZINC000606443355 1298096649 /nfs/dbraw/zinc/09/66/49/1298096649.db2.gz QDAQAXTUVAZEDP-UPHRSURJSA-N -1 0 330.287 3.101 20 30 EGEDRM C[C@@H](CCc1ccc2c(c1)OCO2)/N=C\c1cc([N+](=O)[O-])ccc1[O-] ZINC000745624101 1298435976 /nfs/dbraw/zinc/43/59/76/1298435976.db2.gz FMTZSYRTSFUWQY-ZTPSMGMTSA-N -1 0 342.351 3.469 20 30 EGEDRM C[C@@H](Oc1cccc(C=NNCc2cccc3cccnc32)c1)C(=O)[O-] ZINC000746679271 1298639937 /nfs/dbraw/zinc/63/99/37/1298639937.db2.gz BUDTXIUTCSQAIJ-CQSZACIVSA-N -1 0 349.390 3.210 20 30 EGEDRM CCOC(=O)c1ccc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)o1 ZINC000748245894 1298968047 /nfs/dbraw/zinc/96/80/47/1298968047.db2.gz FQPRLBXMTYHDNW-UHFFFAOYSA-N -1 0 336.731 3.254 20 30 EGEDRM CC(=NNC(=S)Nc1ccccc1F)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000749605426 1299244507 /nfs/dbraw/zinc/24/45/07/1299244507.db2.gz RXENDPNJTKVXFD-UHFFFAOYSA-N -1 0 348.359 3.150 20 30 EGEDRM CC(N=Nc1ncnc2ccsc21)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000749626674 1299249696 /nfs/dbraw/zinc/24/96/96/1299249696.db2.gz TYOQHUKWJYQBMC-UHFFFAOYSA-N -1 0 329.341 3.141 20 30 EGEDRM [O-]c1c(F)cc(C=NNC(=S)Nc2ccccc2F)cc1F ZINC000749858674 1299286858 /nfs/dbraw/zinc/28/68/58/1299286858.db2.gz MWAFQXLKZFLIDJ-UHFFFAOYSA-N -1 0 325.315 3.130 20 30 EGEDRM C=CCNC(=O)C(C#N)=C([O-])c1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC000750683245 1299439771 /nfs/dbraw/zinc/43/97/71/1299439771.db2.gz APRIYZPYVXIWNQ-IBGZPJMESA-N -1 0 349.434 3.336 20 30 EGEDRM CCCCC[C@H](/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-])C(=O)OC ZINC000751890386 1299645407 /nfs/dbraw/zinc/64/54/07/1299645407.db2.gz MSEDOWNNCVOVSJ-CHROMADKSA-N -1 0 342.779 3.495 20 30 EGEDRM C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000753981481 1300057619 /nfs/dbraw/zinc/05/76/19/1300057619.db2.gz JAWFNICLDJWWMJ-UHFFFAOYSA-N -1 0 345.351 3.385 20 30 EGEDRM Cc1nnc(N=NC[C@@H](C)Cc2ccc(C(C)(C)C)cc2)[n-]c1=O ZINC000754701242 1300194192 /nfs/dbraw/zinc/19/41/92/1300194192.db2.gz QBUMUERQERDEAK-LBPRGKRZSA-N -1 0 327.432 3.460 20 30 EGEDRM C=C(C)CN(CC)C(=O)c1cccc(I)c1[O-] ZINC000755012929 1300268220 /nfs/dbraw/zinc/26/82/20/1300268220.db2.gz OTSXRNKTVIRIKY-UHFFFAOYSA-N -1 0 345.180 3.035 20 30 EGEDRM O=C([O-])CCOc1cccc(C=NNCc2cccc(Cl)c2)c1 ZINC000756827474 1300572487 /nfs/dbraw/zinc/57/24/87/1300572487.db2.gz NVYYUDGKCWJKIV-UHFFFAOYSA-N -1 0 332.787 3.317 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1N=NCc1ccc(O[C@H](C)C#N)cc1 ZINC000756899352 1300585813 /nfs/dbraw/zinc/58/58/13/1300585813.db2.gz XPAPEUFPACOGEM-GFCCVEGCSA-N -1 0 339.351 3.130 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1N=NC1CSCc2ccccc21 ZINC000756905877 1300587614 /nfs/dbraw/zinc/58/76/14/1300587614.db2.gz OIXVZVDIYRYXIE-UHFFFAOYSA-N -1 0 328.393 3.456 20 30 EGEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1cc(F)cc(Cl)c1 ZINC000757307111 1300664373 /nfs/dbraw/zinc/66/43/73/1300664373.db2.gz VDDLXBANJCTOLJ-OAHLLOKOSA-N -1 0 330.746 3.118 20 30 EGEDRM CC(=NNc1ccc([N+](=O)[O-])cc1Cl)c1cc(C(=O)[O-])ccc1O ZINC000757461119 1300671798 /nfs/dbraw/zinc/67/17/98/1300671798.db2.gz KGUQPPCGYSPWBF-UHFFFAOYSA-N -1 0 349.730 3.488 20 30 EGEDRM Cc1ccc(O)c(C(=O)/C=C/c2cccc(O[C@@H](C)C(=O)[O-])c2)c1 ZINC000757467742 1300673018 /nfs/dbraw/zinc/67/30/18/1300673018.db2.gz JGJCQYIUDVNMAA-XOVSCCBYSA-N -1 0 326.348 3.449 20 30 EGEDRM O=C(/C=C\c1cccc2c1OCCCO2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000759091184 1301013874 /nfs/dbraw/zinc/01/38/74/1301013874.db2.gz PLIXOAMNCBAUFD-ALCCZGGFSA-N -1 0 341.319 3.358 20 30 EGEDRM COc1cc(F)cc(NN=Cc2ccc(OCCC(=O)[O-])cc2)c1 ZINC000759212776 1301044141 /nfs/dbraw/zinc/04/41/41/1301044141.db2.gz NDQNFCCKPMRHBZ-UHFFFAOYSA-N -1 0 332.331 3.134 20 30 EGEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)C[C@@H](C)C1CC1 ZINC000759240356 1301048299 /nfs/dbraw/zinc/04/82/99/1301048299.db2.gz SKGYIHUFYLKLDC-QMTHXVAHSA-N -1 0 344.411 3.136 20 30 EGEDRM CC(C)c1c(C(=O)Nc2cc(C#N)ccc2[O-])cnn1-c1ccccn1 ZINC000759713099 1301146459 /nfs/dbraw/zinc/14/64/59/1301146459.db2.gz GYJKHWGVWATBPH-UHFFFAOYSA-N -1 0 347.378 3.220 20 30 EGEDRM COc1cc(/C=C\C(=O)c2cccc(O)c2)ccc1OCCC(=O)[O-] ZINC000763369573 1301887861 /nfs/dbraw/zinc/88/78/61/1301887861.db2.gz NNJUPRDPGOROFQ-ALCCZGGFSA-N -1 0 342.347 3.150 20 30 EGEDRM COc1ccsc1/C=C(\C(=O)C(=O)[O-])c1ccc2ccccc2n1 ZINC000764433909 1302062225 /nfs/dbraw/zinc/06/22/25/1302062225.db2.gz IBSRBFQAQSCBAD-BENRWUELSA-N -1 0 339.372 3.499 20 30 EGEDRM C[C@@H](Oc1cccc(C=NNCc2ccc(Cl)cc2)c1)C(=O)[O-] ZINC000764718577 1302122107 /nfs/dbraw/zinc/12/21/07/1302122107.db2.gz NTBAFYDKAJAQEF-GFCCVEGCSA-N -1 0 332.787 3.316 20 30 EGEDRM N#CC(=C([O-])c1sc(N2CCCC2)nc1Cl)c1ccccn1 ZINC000764763749 1302129440 /nfs/dbraw/zinc/12/94/40/1302129440.db2.gz WKBJPNJULOGCRQ-SNVBAGLBSA-N -1 0 332.816 3.282 20 30 EGEDRM O=C(/C=C/c1cncc(Br)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000767356748 1302650081 /nfs/dbraw/zinc/65/00/81/1302650081.db2.gz BSTWLNNOPRBJAV-HNQUOIGGSA-N -1 0 349.140 3.354 20 30 EGEDRM O=C([O-])Cc1ccc(C(=O)/C=C\c2cncc(Br)c2)cc1 ZINC000767361530 1302650392 /nfs/dbraw/zinc/65/03/92/1302650392.db2.gz YILHEGZRYLILBU-UTCJRWHESA-N -1 0 346.180 3.367 20 30 EGEDRM O=C([O-])c1ccc(C(=O)/C=C/c2cncc(Br)c2)s1 ZINC000767356783 1302650532 /nfs/dbraw/zinc/65/05/32/1302650532.db2.gz BYFOHPDJNQHAFE-OWOJBTEDSA-N -1 0 338.182 3.500 20 30 EGEDRM COc1cc(/C=C/C(=O)c2cncc(C)c2)ccc1OCCC(=O)[O-] ZINC000767368138 1302653599 /nfs/dbraw/zinc/65/35/99/1302653599.db2.gz ZQBXRFKQIOIHQU-HWKANZROSA-N -1 0 341.363 3.148 20 30 EGEDRM Cc1nc2sccc2c(=O)n1N=Cc1cc(Cl)cc(F)c1[O-] ZINC000768355272 1302885829 /nfs/dbraw/zinc/88/58/29/1302885829.db2.gz ORXKPDMNZPZIHQ-UHFFFAOYSA-N -1 0 337.763 3.147 20 30 EGEDRM CCCCCC[C@H](C)CC(=O)[N-]S(=O)(=O)CC1(C#N)CCC1 ZINC000771075958 1303357421 /nfs/dbraw/zinc/35/74/21/1303357421.db2.gz NRTVYTLDQXGXFK-AWEZNQCLSA-N -1 0 328.478 3.123 20 30 EGEDRM CCC1(O)CCC(/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000771520653 1303416220 /nfs/dbraw/zinc/41/62/20/1303416220.db2.gz OQNLTZCGEIZGJM-RQZCQDPDSA-N -1 0 326.780 3.456 20 30 EGEDRM C=CCNC(=O)C(C#N)=C([O-])c1cccc(-c2ccccc2OCC)c1 ZINC000772643668 1303558152 /nfs/dbraw/zinc/55/81/52/1303558152.db2.gz CNMLULWVYIHLMV-GOSISDBHSA-N -1 0 348.402 3.377 20 30 EGEDRM O=C(C=Cc1c[nH]nc1-c1ccc2c(c1)OCO2)c1sccc1[O-] ZINC000773142853 1303633214 /nfs/dbraw/zinc/63/32/14/1303633214.db2.gz GWQUJQKHOJWLKQ-IWQZZHSRSA-N -1 0 340.360 3.469 20 30 EGEDRM O=C([O-])Cc1ccc(C(=O)/C=C\c2ccn(-c3ccccc3)n2)cc1 ZINC000773151813 1303634495 /nfs/dbraw/zinc/63/44/95/1303634495.db2.gz WWMHZJBPIAGHBY-KHPPLWFESA-N -1 0 332.359 3.396 20 30 EGEDRM CCOc1nc(C([O-])=C(C#N)C(=O)Nc2cccc3ccccc32)co1 ZINC000773979633 1303759671 /nfs/dbraw/zinc/75/96/71/1303759671.db2.gz JECSULJYUQUQCD-CQSZACIVSA-N -1 0 349.346 3.188 20 30 EGEDRM COc1ccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)cc1C1CC1 ZINC000774042800 1303767210 /nfs/dbraw/zinc/76/72/10/1303767210.db2.gz KMRQHDMHHRNMFI-KRWDZBQOSA-N -1 0 340.423 3.344 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])c(/C=N\C[C@@H](O)c2cc(F)cc(Cl)c2)c1 ZINC000775741967 1304026619 /nfs/dbraw/zinc/02/66/19/1304026619.db2.gz UWADKFYGZDBNGC-RWMLIFJVSA-N -1 0 338.722 3.245 20 30 EGEDRM CCc1cnccc1C(=O)/C=C/c1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000776192353 1304110774 /nfs/dbraw/zinc/11/07/74/1304110774.db2.gz PCOTYCVLNDNZQN-GWJCSSMESA-N -1 0 325.364 3.392 20 30 EGEDRM N#Cc1ccc(C(=O)/C=C/c2ccc(OCC(=O)[O-])cc2)cc1F ZINC000776726156 1304188038 /nfs/dbraw/zinc/18/80/38/1304188038.db2.gz HCTVDVFURSOTSY-FPYGCLRLSA-N -1 0 325.295 3.057 20 30 EGEDRM CC[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC000779319461 1304556299 /nfs/dbraw/zinc/55/62/99/1304556299.db2.gz VGCSJROJDGNISB-HNNXBMFYSA-N -1 0 340.489 3.123 20 30 EGEDRM CCc1ccc(S(=O)(=O)[N-]c2ccccc2O[C@@H](C)C#N)cc1 ZINC000779847724 1304614126 /nfs/dbraw/zinc/61/41/26/1304614126.db2.gz BQHFQEZLTDZCNK-ZDUSSCGKSA-N -1 0 330.409 3.341 20 30 EGEDRM C#CCCCCCC(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000780290439 1304672426 /nfs/dbraw/zinc/67/24/26/1304672426.db2.gz MJVIKNXZYQCILF-UHFFFAOYSA-N -1 0 329.421 3.228 20 30 EGEDRM COc1cccc(NN=Cc2ccc(OCCC(=O)[O-])c(OC)c2)c1 ZINC000783815022 1305149089 /nfs/dbraw/zinc/14/90/89/1305149089.db2.gz ABQZMFPDEZLYHU-UHFFFAOYSA-N -1 0 344.367 3.003 20 30 EGEDRM C=C1CCC(C(=O)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000892425295 1305367277 /nfs/dbraw/zinc/36/72/77/1305367277.db2.gz XPTUQNLBXYVDAX-UHFFFAOYSA-N -1 0 347.358 3.257 20 30 EGEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2cc3occc3s2)c1 ZINC000786540879 1305593718 /nfs/dbraw/zinc/59/37/18/1305593718.db2.gz NCPUZRRMPGMWOU-CYBMUJFWSA-N -1 0 338.388 3.442 20 30 EGEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2cn(C)c3ccccc23)c1 ZINC000786552430 1305596295 /nfs/dbraw/zinc/59/62/95/1305596295.db2.gz MGOFLXOONJEHRK-QGZVFWFLSA-N -1 0 345.402 3.126 20 30 EGEDRM Cc1nnc(NN=Cc2c[nH]c3cc(Cl)cc(Cl)c23)[n-]c1=O ZINC000790149570 1306267637 /nfs/dbraw/zinc/26/76/37/1306267637.db2.gz YNDNZLNMSCLGAK-UHFFFAOYSA-N -1 0 337.170 3.120 20 30 EGEDRM C[C@@H](Oc1cccc(CN=Nc2cccc(F)c2[N+](=O)[O-])c1)C(=O)[O-] ZINC000790310673 1306298619 /nfs/dbraw/zinc/29/86/19/1306298619.db2.gz JZFQCGJYLUITFE-SNVBAGLBSA-N -1 0 347.302 3.032 20 30 EGEDRM C#CCN(C)C(=O)c1ccsc1NC(=O)c1ccc(Cl)cc1[O-] ZINC000790962716 1308896738 /nfs/dbraw/zinc/89/67/38/1308896738.db2.gz MMBBUSLZBUSIFS-UHFFFAOYSA-N -1 0 348.811 3.065 20 30 EGEDRM CC[C@@H](NN=Cc1ccc(-c2cccc([N+](=O)[O-])c2)s1)C(=O)[O-] ZINC000793057188 1309287769 /nfs/dbraw/zinc/28/77/69/1309287769.db2.gz MFFBPVBFDHWGTC-CYBMUJFWSA-N -1 0 333.369 3.110 20 30 EGEDRM CC[C@H](NN=Cc1c(Cl)n(-c2ccccc2)nc1C(C)C)C(=O)[O-] ZINC000793072818 1309291175 /nfs/dbraw/zinc/29/11/75/1309291175.db2.gz PQNWAXRMELPDHS-AWEZNQCLSA-N -1 0 348.834 3.436 20 30 EGEDRM Cn1ncc(C([O-])=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)n1 ZINC000793126528 1309301164 /nfs/dbraw/zinc/30/11/64/1309301164.db2.gz SWDNZZVKXJJESF-NSHDSACASA-N -1 0 343.799 3.082 20 30 EGEDRM N#CC1(CS(=O)(=O)[N-]C(=O)c2ccc(C3CCCCC3)cc2)CC1 ZINC000793194491 1309315623 /nfs/dbraw/zinc/31/56/23/1309315623.db2.gz MNRLMYFHMFKCNG-UHFFFAOYSA-N -1 0 346.452 3.098 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])c(/C=N\[C@@H]2CCN(c3ccccc3F)C2)c1 ZINC000793666500 1309425339 /nfs/dbraw/zinc/42/53/39/1309425339.db2.gz FSCOVZXSXLNDDC-XTBHVRTMSA-N -1 0 329.331 3.137 20 30 EGEDRM C=CCCCS(=O)(=O)[N-]c1nc2c(cc(F)c(F)c2F)s1 ZINC000794002826 1309463776 /nfs/dbraw/zinc/46/37/76/1309463776.db2.gz QWUWMCSPXCYTNX-UHFFFAOYSA-N -1 0 336.360 3.422 20 30 EGEDRM COc1cc(OC)c(/C=C\C(=O)c2ccc([O-])c(F)c2)c(OC)c1 ZINC000794707842 1309579191 /nfs/dbraw/zinc/57/91/91/1309579191.db2.gz NTWRTBDZTJUGHI-ALCCZGGFSA-N -1 0 332.327 3.453 20 30 EGEDRM O=C(/C=C/c1cc(F)c([O-])c(F)c1)c1ccccc1-n1ccnn1 ZINC000794731507 1309586729 /nfs/dbraw/zinc/58/67/29/1309586729.db2.gz JZRZDOSUOZUKFF-AATRIKPKSA-N -1 0 327.290 3.147 20 30 EGEDRM CC(C)Cc1cccc([C@@H](C)C(=O)C(C#N)=C([O-])c2nccn2C)c1 ZINC000797161580 1310149188 /nfs/dbraw/zinc/14/91/88/1310149188.db2.gz FEAWCGDEAOCJLP-RHSMWYFYSA-N -1 0 337.423 3.314 20 30 EGEDRM CC(C)c1c(Cl)ncnc1NN=Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000797405329 1310185238 /nfs/dbraw/zinc/18/52/38/1310185238.db2.gz QMAKISFHBKLKRG-UHFFFAOYSA-N -1 0 335.751 3.313 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)N[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000797704456 1310234396 /nfs/dbraw/zinc/23/43/96/1310234396.db2.gz WDQWTQGZXMKVDG-SNVBAGLBSA-N -1 0 330.306 3.049 20 30 EGEDRM Cc1cc(OCCCC(C)N=Nc2nnc(C)c(=O)[n-]2)ccc1Cl ZINC000800806520 1310809124 /nfs/dbraw/zinc/80/91/24/1310809124.db2.gz HEBVLSPELZRNDT-UHFFFAOYSA-N -1 0 349.822 3.494 20 30 EGEDRM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1coc(C2CC2)n1 ZINC000802041989 1316975374 /nfs/dbraw/zinc/97/53/74/1316975374.db2.gz KNXGUACMNPOFTL-JTQLQIEISA-N -1 0 347.733 3.306 20 30 EGEDRM COc1ccc(-c2csc(C(C#N)=C([O-])C3=CCOCC3)n2)cc1 ZINC000802052660 1316977116 /nfs/dbraw/zinc/97/71/16/1316977116.db2.gz DCFRRTRAVXRTFT-HNNXBMFYSA-N -1 0 340.404 3.342 20 30 EGEDRM C[C@@H](Oc1ccc(/C=C\C(=O)c2cnn(C3CCC3)c2)cc1)C(=O)[O-] ZINC000899401238 1317020211 /nfs/dbraw/zinc/02/02/11/1317020211.db2.gz SMIISSGCYWWRLC-PGJNLMOESA-N -1 0 340.379 3.356 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)Nc1cccc(OCC(F)(F)F)c1C ZINC000900333726 1317275245 /nfs/dbraw/zinc/27/52/45/1317275245.db2.gz QBTNVCHSQUZGRP-UHFFFAOYSA-N -1 0 346.305 3.041 20 30 EGEDRM COc1cc(/C=C/C(=O)c2cccc(C(=O)[O-])c2)cc(OC)c1OC ZINC000806558824 1317500379 /nfs/dbraw/zinc/50/03/79/1317500379.db2.gz MYARGSCZUBRQCZ-BQYQJAHWSA-N -1 0 342.347 3.307 20 30 EGEDRM O=C([O-])[C@H]1C/C(=C\c2ccc3c(c2)OCCO3)C(=O)c2ccccc21 ZINC000806561030 1317501422 /nfs/dbraw/zinc/50/14/22/1317501422.db2.gz QSOUKWAQIZULME-WQMJKPAKSA-N -1 0 336.343 3.296 20 30 EGEDRM Cc1cccc([N-]S(=O)(=O)C[C@@]2(C)CC2(Cl)Cl)c1C#N ZINC000903106647 1317654393 /nfs/dbraw/zinc/65/43/93/1317654393.db2.gz UCVSNAQRPVHHLQ-GFCCVEGCSA-N -1 0 333.240 3.192 20 30 EGEDRM CO[C@H](CS(=O)(=O)[N-]c1sc(C)cc1C#N)c1ccccc1 ZINC000903169237 1317667328 /nfs/dbraw/zinc/66/73/28/1317667328.db2.gz CYUOOIBPGOPZHU-CQSZACIVSA-N -1 0 336.438 3.058 20 30 EGEDRM COCc1ccccc1S(=O)(=O)[N-]c1sc(C)c(C)c1C#N ZINC000903168462 1317667682 /nfs/dbraw/zinc/66/76/82/1317667682.db2.gz JWDSPKWJQUNQHE-UHFFFAOYSA-N -1 0 336.438 3.184 20 30 EGEDRM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1ocnc1C1CC1 ZINC000808978740 1317755926 /nfs/dbraw/zinc/75/59/26/1317755926.db2.gz AKUDDOFUZDTWNB-LBPRGKRZSA-N -1 0 329.743 3.167 20 30 EGEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1ocnc1C1CC1)c1ccccc1 ZINC000809003065 1317757720 /nfs/dbraw/zinc/75/77/20/1317757720.db2.gz LPOPYRNMRUTDIY-LSDHHAIUSA-N -1 0 337.379 3.142 20 30 EGEDRM CCc1nn(C)c(Cl)c1C(=O)N(O)Cc1ccccc1Cl ZINC000904190861 1317807727 /nfs/dbraw/zinc/80/77/27/1317807727.db2.gz RXJKOAAEVCXBLQ-UHFFFAOYSA-N -1 0 328.199 3.321 20 30 EGEDRM CO[C@H](CS(=O)(=O)[N-]c1scc(C(C)(C)C)c1C#N)C1CC1 ZINC000906067919 1318033616 /nfs/dbraw/zinc/03/36/16/1318033616.db2.gz WKWNNZFZEVTZQD-CYBMUJFWSA-N -1 0 342.486 3.084 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)C[C@@H]2C[C@H](C)CC(C)(C)C2)CC1 ZINC000810981292 1318085189 /nfs/dbraw/zinc/08/51/89/1318085189.db2.gz PJPVXIIRZWROLB-KBPBESRZSA-N -1 0 327.490 3.394 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2csc3c2CC[C@H](C)C3)CC1 ZINC000810980460 1318086087 /nfs/dbraw/zinc/08/60/87/1318086087.db2.gz ZAQGIOPMDMNPBH-NSHDSACASA-N -1 0 339.482 3.041 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)/C=C\c2cc(C)c(C)cc2C)CC1 ZINC000810986256 1318086490 /nfs/dbraw/zinc/08/64/90/1318086490.db2.gz STHDJBPVGUTGLG-SREVYHEPSA-N -1 0 333.453 3.180 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CC1 ZINC000810986422 1318086728 /nfs/dbraw/zinc/08/67/28/1318086728.db2.gz ZBBQRVGTYBWMOM-SOUVJXGZSA-N -1 0 325.474 3.148 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@H](C)Cc2cccc(Cl)c2)CC1 ZINC000810987167 1318087372 /nfs/dbraw/zinc/08/73/72/1318087372.db2.gz AMHLMYKLCVRTDH-GFCCVEGCSA-N -1 0 341.860 3.073 20 30 EGEDRM COc1ccc(N=NC2CCCCc3cc(C(=O)[O-])ccc32)nc1 ZINC000811648047 1318219259 /nfs/dbraw/zinc/21/92/59/1318219259.db2.gz DCNHKXYGKTZLRI-UHFFFAOYSA-N -1 0 325.368 3.331 20 30 EGEDRM C=C[C@H](CC(=O)NC(C)(C)c1cc(C(=O)[O-])on1)c1ccccc1 ZINC000909920176 1318537596 /nfs/dbraw/zinc/53/75/96/1318537596.db2.gz CSFFKPMDYWTAKF-GFCCVEGCSA-N -1 0 328.368 3.084 20 30 EGEDRM C#CCCCC(=O)N(Cc1ccoc1C(=O)[O-])[C@H](C)c1ccccn1 ZINC000911327920 1318736102 /nfs/dbraw/zinc/73/61/02/1318736102.db2.gz GNIFMBQLZGKNQI-CQSZACIVSA-N -1 0 340.379 3.266 20 30 EGEDRM O=C([O-])c1ccc(NN=Cc2ccc(Cl)cc2-n2cncn2)cc1 ZINC000814680882 1318799430 /nfs/dbraw/zinc/79/94/30/1318799430.db2.gz MPJJSSHTAFXMET-UHFFFAOYSA-N -1 0 341.758 3.065 20 30 EGEDRM Cc1ccc(NC(=S)NN=C2CC[C@@H](C(=O)[O-])C[C@@H]2C)cc1C ZINC000814713616 1318802798 /nfs/dbraw/zinc/80/27/98/1318802798.db2.gz SCJRSIHXHXNFGH-QWHCGFSZSA-N -1 0 333.457 3.467 20 30 EGEDRM COc1ccccc1NC(=S)NN=C(C)CC1(C(=O)[O-])CCC1 ZINC000814715577 1318803035 /nfs/dbraw/zinc/80/30/35/1318803035.db2.gz CMQNKPVKDOSXCF-UHFFFAOYSA-N -1 0 335.429 3.003 20 30 EGEDRM Cc1ccc(NC(=S)NN=C2CC[C@@H](C(=O)[O-])C[C@H]2C)cc1C ZINC000814713614 1318803571 /nfs/dbraw/zinc/80/35/71/1318803571.db2.gz SCJRSIHXHXNFGH-CHWSQXEVSA-N -1 0 333.457 3.467 20 30 EGEDRM C=CCOCCSc1nc(-c2ccc(OC)cc2)c(C#N)c(=O)[n-]1 ZINC000814737791 1318807992 /nfs/dbraw/zinc/80/79/92/1318807992.db2.gz KJUVJZRRAISUSL-UHFFFAOYSA-N -1 0 343.408 3.024 20 30 EGEDRM CCCCCNC(=S)NN=C1CC[C@@H](C(=O)[O-])C(C)(C)[C@H]1C ZINC000814763465 1318811550 /nfs/dbraw/zinc/81/15/50/1318811550.db2.gz DPRCQKGGDQBZKI-RYUDHWBXSA-N -1 0 327.494 3.154 20 30 EGEDRM Cc1nc2sccc2c(=O)n1N=Cc1cc(Cl)c(F)cc1[O-] ZINC000814771573 1318813045 /nfs/dbraw/zinc/81/30/45/1318813045.db2.gz YHGQATLIVMARNB-UHFFFAOYSA-N -1 0 337.763 3.147 20 30 EGEDRM C[C@H]1C(=NNc2cnnc([O-])c2Cl)CCCN1Cc1ccccc1 ZINC000814782202 1318814548 /nfs/dbraw/zinc/81/45/48/1318814548.db2.gz GUGKHVJIFSTIMN-LBPRGKRZSA-N -1 0 345.834 3.288 20 30 EGEDRM C[C@H]1CC(N=Nc2cncc(Br)c2)CC[C@H]1C(=O)[O-] ZINC000814887828 1318839194 /nfs/dbraw/zinc/83/91/94/1318839194.db2.gz YUPAHKRXZOPLPA-QPUJVOFHSA-N -1 0 326.194 3.133 20 30 EGEDRM COC(=O)c1c(F)cccc1NN=C(C)c1csc(C(=O)[O-])c1 ZINC000814923627 1318850302 /nfs/dbraw/zinc/85/03/02/1318850302.db2.gz VWNRBOMDGSWVKD-UHFFFAOYSA-N -1 0 336.344 3.208 20 30 EGEDRM CC(=NNC[C@@H]1CCSC1)c1oc2cc(C)ccc2c1CC(=O)[O-] ZINC000814935623 1318853998 /nfs/dbraw/zinc/85/39/98/1318853998.db2.gz PWRBMTUOLCYEIA-ZDUSSCGKSA-N -1 0 346.452 3.435 20 30 EGEDRM COC(=O)c1cc(NN=C(C)c2csc(C(=O)[O-])c2)ccc1C ZINC000814938154 1318854692 /nfs/dbraw/zinc/85/46/92/1318854692.db2.gz XAUFYOGARSPROC-UHFFFAOYSA-N -1 0 332.381 3.377 20 30 EGEDRM O=C1Nc2cc(F)ccc2C1=N[N-]c1nnc(-c2ccccc2)s1 ZINC000814946917 1318857607 /nfs/dbraw/zinc/85/76/07/1318857607.db2.gz TZGCBVCUTJHUAA-UHFFFAOYSA-N -1 0 339.355 3.113 20 30 EGEDRM O=C1Nc2c(cccc2F)C1=N[N-]c1nnc(-c2ccccc2)s1 ZINC000814947178 1318857980 /nfs/dbraw/zinc/85/79/80/1318857980.db2.gz FPNUIMBTIMNEQA-UHFFFAOYSA-N -1 0 339.355 3.113 20 30 EGEDRM CC(=NNCC(=O)[O-])c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000814959314 1318859883 /nfs/dbraw/zinc/85/98/83/1318859883.db2.gz ZRFPAOOEXMRWQQ-UHFFFAOYSA-N -1 0 328.212 3.122 20 30 EGEDRM O=C1CCc2cc(F)c(N=Cc3cc([N+](=O)[O-])ccc3[O-])cc2N1 ZINC000914702792 1319365992 /nfs/dbraw/zinc/36/59/92/1319365992.db2.gz MWUAQPGTBRUZNJ-UHFFFAOYSA-N -1 0 329.287 3.075 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2cc3ccsc3[nH]2)n1 ZINC000914891322 1319395203 /nfs/dbraw/zinc/39/52/03/1319395203.db2.gz OCEXUKUMYWNSOL-JTQLQIEISA-N -1 0 345.405 3.028 20 30 EGEDRM O=[N+]([O-])c1cc(C=NNc2ncccc2C(F)(F)F)ccc1[O-] ZINC000915050328 1319414555 /nfs/dbraw/zinc/41/45/55/1319414555.db2.gz KHXXEONRIVKLOO-UHFFFAOYSA-N -1 0 326.234 3.160 20 30 EGEDRM Cc1ccc(NC(=S)NN=Cc2ccc([O-])c([N+](=O)[O-])c2)c(C)c1 ZINC000915911818 1319560121 /nfs/dbraw/zinc/56/01/21/1319560121.db2.gz IYIAUDNMIJIWBH-UHFFFAOYSA-N -1 0 344.396 3.238 20 30 EGEDRM COCCOc1ccc(C(C)=NNc2ccc(C(=O)[O-])cc2)cc1 ZINC000915933326 1319565566 /nfs/dbraw/zinc/56/55/66/1319565566.db2.gz IGECVMDUKWAUGH-UHFFFAOYSA-N -1 0 328.368 3.246 20 30 EGEDRM COc1cc(/C=C\C(=O)c2cccc(F)c2)ccc1OCC(=O)[O-] ZINC000916134089 1319607596 /nfs/dbraw/zinc/60/75/96/1319607596.db2.gz AOXVAYVREHZDOH-ALCCZGGFSA-N -1 0 330.311 3.194 20 30 EGEDRM Oc1ccc2ccccc2c1C=Nn1c(=S)[n-]nc1C(F)(F)F ZINC000916304815 1319636284 /nfs/dbraw/zinc/63/62/84/1319636284.db2.gz CJIAWFOOTWVZFI-UHFFFAOYSA-N -1 0 338.314 3.327 20 30 EGEDRM COc1cccc2cc(C=Nn3c(=S)[n-]nc3C(F)(F)F)oc21 ZINC000916304853 1319636735 /nfs/dbraw/zinc/63/67/35/1319636735.db2.gz FBAZOXJFHBTWSP-UHFFFAOYSA-N -1 0 342.302 3.223 20 30 EGEDRM FC(F)(F)c1n[n-]c(=S)n1N=Cc1ccc(C(F)(F)F)cc1 ZINC000916304915 1319637089 /nfs/dbraw/zinc/63/70/89/1319637089.db2.gz HDCXRLYFFRXUHU-UHFFFAOYSA-N -1 0 340.252 3.487 20 30 EGEDRM CC(C)Oc1ccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)cc1 ZINC000916892728 1319719928 /nfs/dbraw/zinc/71/99/28/1319719928.db2.gz MABGNVTXEXCOEY-QGZVFWFLSA-N -1 0 328.412 3.245 20 30 EGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)C[C@@H](C)n1cccn1 ZINC000819937718 1319807012 /nfs/dbraw/zinc/80/70/12/1319807012.db2.gz VLUJABKRXOLOBS-IUODEOHRSA-N -1 0 334.379 3.216 20 30 EGEDRM Cc1nnc(NN=Cc2ccc(-c3cccs3)cc2F)[n-]c1=O ZINC000917538280 1319830200 /nfs/dbraw/zinc/83/02/00/1319830200.db2.gz GZWLBYASVKMVPA-UHFFFAOYSA-N -1 0 329.360 3.199 20 30 EGEDRM CON=Cc1ccc(C(=O)Nc2c(=O)[nH][n-]c2-c2ccccc2)cc1 ZINC000820465149 1319894586 /nfs/dbraw/zinc/89/45/86/1319894586.db2.gz FRCRUJPSWNZCCG-UHFFFAOYSA-N -1 0 336.351 3.015 20 30 EGEDRM CC(C)CCCCC(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000838797579 1320818270 /nfs/dbraw/zinc/81/82/70/1320818270.db2.gz QVJXBFARLQRQCY-UHFFFAOYSA-N -1 0 342.848 3.233 20 30 EGEDRM O=C([N-][C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)C(F)(F)F ZINC000840527314 1321104168 /nfs/dbraw/zinc/10/41/68/1321104168.db2.gz QTWWKCISFKGSFD-SSDOTTSWSA-N -1 0 334.147 3.016 20 30 EGEDRM Cc1cccc2[nH]c(C(C#N)=C([O-])[C@@H](C)C(=O)OC(C)(C)C)nc21 ZINC000842308880 1321370009 /nfs/dbraw/zinc/37/00/09/1321370009.db2.gz WBHFEKLISDQYLQ-VXGBXAGGSA-N -1 0 327.384 3.025 20 30 EGEDRM CCCON=C1CC(C(=O)[O-])(c2cccc(Br)c2)C1 ZINC000842550588 1321401477 /nfs/dbraw/zinc/40/14/77/1321401477.db2.gz IEZSQJYYJXCCSU-UHFFFAOYSA-N -1 0 326.190 3.348 20 30 EGEDRM N#CC(=C([O-])c1coc(C2CCOCC2)n1)c1nc(C2CC2)cs1 ZINC000842944090 1321452744 /nfs/dbraw/zinc/45/27/44/1321452744.db2.gz IMFDTIGFXUNUFF-LBPRGKRZSA-N -1 0 343.408 3.393 20 30 EGEDRM Cc1c([N-][NH+]=Cc2ccc(N(C)C(C)C)nc2)cccc1C(=O)[O-] ZINC000844624001 1321626285 /nfs/dbraw/zinc/62/62/85/1321626285.db2.gz ROFVVOPDSUJCQW-UHFFFAOYSA-N -1 0 326.400 3.379 20 30 EGEDRM CCCCCCC[C@@H](CC(=O)[O-])NS(=O)(=O)c1ccc(C)o1 ZINC000844796643 1321647744 /nfs/dbraw/zinc/64/77/44/1321647744.db2.gz ZFWZQJOOPMJJAQ-ZDUSSCGKSA-N -1 0 331.434 3.070 20 30 EGEDRM CC(C)c1[nH]ccc1C([O-])=C(C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC000845526217 1321716202 /nfs/dbraw/zinc/71/62/02/1321716202.db2.gz DWJVBWDQESPENZ-CYBMUJFWSA-N -1 0 345.349 3.055 20 30 EGEDRM CC(C)c1[nH]ccc1C([O-])=C(C#N)C(=O)NCc1ccc(F)cc1F ZINC000845526092 1321716225 /nfs/dbraw/zinc/71/62/25/1321716225.db2.gz CVKZLTIZBQCQLG-AWEZNQCLSA-N -1 0 345.349 3.055 20 30 EGEDRM C=C[C@@H](C)O[N-]C(=O)COc1ccc(Br)cc1Cl ZINC000846544387 1321792151 /nfs/dbraw/zinc/79/21/51/1321792151.db2.gz WUNLLKLNGFMCSB-MRVPVSSYSA-N -1 0 334.597 3.104 20 30 EGEDRM C=C[C@H](C)O[N-]C(=O)[C@@H](C)Oc1ccc(Cl)cc1Br ZINC000846543002 1321792637 /nfs/dbraw/zinc/79/26/37/1321792637.db2.gz FGHXUIYMVWMOQN-DTWKUNHWSA-N -1 0 348.624 3.492 20 30 EGEDRM CC(C)OCCCNC(=O)C(C#N)=C([O-])c1cccc(C(C)C)c1 ZINC000850753138 1322284971 /nfs/dbraw/zinc/28/49/71/1322284971.db2.gz YKDVLGHNUBVSDC-KRWDZBQOSA-N -1 0 330.428 3.064 20 30 EGEDRM CC(C)(C#N)C(=O)N1CCC(c2c[nH]c3ccc(C(=O)[O-])cc32)CC1 ZINC000923107222 1322693236 /nfs/dbraw/zinc/69/32/36/1322693236.db2.gz ZGQVTGNCUBFMQB-UHFFFAOYSA-N -1 0 339.395 3.122 20 30 EGEDRM N#CC[C@@H]1CCCN(Cc2cc(=O)oc3cc([O-])c(Cl)cc23)C1 ZINC000852319392 1323178541 /nfs/dbraw/zinc/17/85/41/1323178541.db2.gz LRQVZDSDBLAZGE-NSHDSACASA-N -1 0 332.787 3.278 20 30 EGEDRM CC(C)Oc1ccc(C(=O)[O-])cc1C(C)N=Nc1ncncc1Cl ZINC000853336777 1325082405 /nfs/dbraw/zinc/08/24/05/1325082405.db2.gz MCSKTTBDOJKRRQ-UHFFFAOYSA-N -1 0 348.790 3.452 20 30 EGEDRM C[C@H]1C[C@H](C(=O)[O-])CCC1=NNCc1ccc(Br)cc1 ZINC000853384556 1325086930 /nfs/dbraw/zinc/08/69/30/1325086930.db2.gz LSQNWQZRIXUBPK-CMPLNLGQSA-N -1 0 339.233 3.416 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]c2sc(C)c(C)c2C(=O)OC)CC1 ZINC001190765913 1367344961 /nfs/dbraw/zinc/34/49/61/1367344961.db2.gz JCNNWPYXZXVLNH-UHFFFAOYSA-N -1 0 329.443 3.002 20 30 EGEDRM C=CCC[C@@H](NC(=O)N(C)[C@@H](COC(C)C)C(=O)[O-])c1ccccc1 ZINC000929042469 1328495302 /nfs/dbraw/zinc/49/53/02/1328495302.db2.gz FLPRWXGNMBGNFN-SJORKVTESA-N -1 0 348.443 3.214 20 30 EGEDRM O=C(CCC(=O)C1=CC=C[CH]1)Nc1nc(Cl)c(Cl)nc1Cl ZINC001184241647 1387418778 /nfs/dbraw/zinc/41/87/78/1387418778.db2.gz WNQMQLQNUMZUEP-UHFFFAOYSA-N -1 0 345.593 3.425 20 30 EGEDRM O=C(CCC(=O)N1CCOC[C@H]1c1ccc(Cl)cc1)C1=CC=C[CH]1 ZINC001184243167 1387418840 /nfs/dbraw/zinc/41/88/40/1387418840.db2.gz DXSAQLKKISPMGM-KRWDZBQOSA-N -1 0 344.818 3.290 20 30 EGEDRM Cc1ccc(C#N)c([N-]S(=O)(=O)c2ccc(-c3cnco3)cc2)c1 ZINC001185184344 1387639839 /nfs/dbraw/zinc/63/98/39/1387639839.db2.gz ALXZEZVRTQDCAC-UHFFFAOYSA-N -1 0 339.376 3.323 20 30 EGEDRM COc1ccc2c(c1[N-]S(=O)(=O)c1ccc(CC#N)cc1)CCC2 ZINC001324496519 1387650797 /nfs/dbraw/zinc/65/07/97/1387650797.db2.gz UJLUDVSVZKZVLA-UHFFFAOYSA-N -1 0 342.420 3.051 20 30 EGEDRM N#Cc1c([N-]S(=O)(=O)c2ccsc2)cccc1C(F)(F)F ZINC001185391510 1387702222 /nfs/dbraw/zinc/70/22/22/1387702222.db2.gz NUGPCBCSPJOCIL-UHFFFAOYSA-N -1 0 332.328 3.439 20 30 EGEDRM Cc1c(F)cccc1S(=O)(=O)[N-]c1cc(F)c(F)cc1C#N ZINC001185836727 1387811218 /nfs/dbraw/zinc/81/12/18/1387811218.db2.gz VNICHQNMXHGECQ-UHFFFAOYSA-N -1 0 326.299 3.085 20 30 EGEDRM CC(=O)c1ccc([N-]S(=O)(=O)c2cccc(F)c2C)c(C#N)c1 ZINC001185836195 1387810700 /nfs/dbraw/zinc/81/07/00/1387810700.db2.gz HZVTUABEHYUASN-UHFFFAOYSA-N -1 0 332.356 3.009 20 30 EGEDRM C#Cc1cccnc1[N-]S(=O)(=O)c1cc(F)cc(C(F)(F)F)c1 ZINC001189956991 1367140353 /nfs/dbraw/zinc/14/03/53/1367140353.db2.gz CRTHGPNSPXLOPO-UHFFFAOYSA-N -1 0 344.289 3.022 20 30 EGEDRM Cc1ccc(C#N)c([N-]S(=O)(=O)c2cc(F)cc(F)c2F)c1 ZINC001190347161 1367234897 /nfs/dbraw/zinc/23/48/97/1367234897.db2.gz ADNGKHORFOCBPS-UHFFFAOYSA-N -1 0 326.299 3.085 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cc3ccccc3cn2)c1 ZINC001190616589 1367309561 /nfs/dbraw/zinc/30/95/61/1367309561.db2.gz YLHYWFNLKCMANF-UHFFFAOYSA-N -1 0 327.340 3.046 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2ccnc(C3CCC3)c2)c1 ZINC001190619664 1367309765 /nfs/dbraw/zinc/30/97/65/1367309765.db2.gz YLCHAHATPPWILC-UHFFFAOYSA-N -1 0 331.372 3.161 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cnc3ccc(F)cc3c2)c1 ZINC001190619191 1367309881 /nfs/dbraw/zinc/30/98/81/1367309881.db2.gz ASSFZIPYDKILAC-UHFFFAOYSA-N -1 0 345.330 3.185 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc3c(c2)CCCC3)c1 ZINC001190655767 1367319292 /nfs/dbraw/zinc/31/92/92/1367319292.db2.gz OPIDROMWIFLAGN-UHFFFAOYSA-N -1 0 330.384 3.377 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)N[C@@H]2CCC[C@H]3CCCC[C@@H]32)c1 ZINC001190665503 1367321831 /nfs/dbraw/zinc/32/18/31/1367321831.db2.gz NPTBFBHPPIWHJH-IJEWVQPXSA-N -1 0 336.432 3.335 20 30 EGEDRM C[C@H](NS(=O)(=O)c1cc(C#N)ccc1F)c1cc(F)ccc1F ZINC001190677228 1367327038 /nfs/dbraw/zinc/32/70/38/1367327038.db2.gz LLZMKKQBXGOGSY-VIFPVBQESA-N -1 0 340.326 3.015 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-][C@@H](c2cccc(F)c2)C(F)(F)F)CC1 ZINC001190821807 1367360427 /nfs/dbraw/zinc/36/04/27/1367360427.db2.gz LPISXBQFVHGKGY-LBPRGKRZSA-N -1 0 337.338 3.457 20 30 EGEDRM CC(C)c1cc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)on1 ZINC001190932727 1367384127 /nfs/dbraw/zinc/38/41/27/1367384127.db2.gz YESYYDUCTPGTHI-UHFFFAOYSA-N -1 0 325.777 3.124 20 30 EGEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(-c3ccco3)no2)c1 ZINC001190939215 1367386564 /nfs/dbraw/zinc/38/65/64/1367386564.db2.gz USEPLMWQFRFGSD-UHFFFAOYSA-N -1 0 349.755 3.260 20 30 EGEDRM N#Cc1cc(NC(=O)c2csc(C(F)(F)F)n2)c([O-])cc1F ZINC001191016897 1367403335 /nfs/dbraw/zinc/40/33/35/1367403335.db2.gz SCTAEMXICDBCEY-UHFFFAOYSA-N -1 0 331.250 3.131 20 30 EGEDRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(CC#N)cc1 ZINC001191821982 1367602005 /nfs/dbraw/zinc/60/20/05/1367602005.db2.gz ZAEMAJDRYUCOSN-UHFFFAOYSA-N -1 0 330.409 3.261 20 30 EGEDRM N#Cc1c(F)cccc1[N-]S(=O)(=O)Cc1ccc(Cl)cc1F ZINC001191894061 1367628615 /nfs/dbraw/zinc/62/86/15/1367628615.db2.gz PPUIJVIPJMOGSB-UHFFFAOYSA-N -1 0 342.754 3.432 20 30 EGEDRM C=CC[C@@H](NC(=O)c1ccc(C2SCCCS2)cc1)C(=O)[O-] ZINC001325145329 1387905264 /nfs/dbraw/zinc/90/52/64/1387905264.db2.gz YXJPLRLTDPIWNI-CYBMUJFWSA-N -1 0 337.466 3.314 20 30 EGEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cccc(C(C)C)c2)c1 ZINC001193636040 1368080622 /nfs/dbraw/zinc/08/06/22/1368080622.db2.gz JLLAHRISTSWJBJ-UHFFFAOYSA-N -1 0 330.409 3.491 20 30 EGEDRM CC1(C)COC(c2ccccc2NC(=O)c2cccc(C#N)c2[O-])=N1 ZINC001193652869 1368086156 /nfs/dbraw/zinc/08/61/56/1368086156.db2.gz QGJCCFKKRVRDRK-UHFFFAOYSA-N -1 0 335.363 3.072 20 30 EGEDRM Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)c(C#N)c1 ZINC001194293838 1368226027 /nfs/dbraw/zinc/22/60/27/1368226027.db2.gz FYCWYEOHUPYBEL-UHFFFAOYSA-N -1 0 341.314 3.081 20 30 EGEDRM CC(C)c1cccc(S(=O)(=O)[N-]c2cc(C#N)c(F)cc2O)c1 ZINC001195160043 1368391460 /nfs/dbraw/zinc/39/14/60/1368391460.db2.gz YYCSEQLJWJFPJM-UHFFFAOYSA-N -1 0 334.372 3.327 20 30 EGEDRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1cc(C#N)c(F)cc1O ZINC001195317014 1368420286 /nfs/dbraw/zinc/42/02/86/1368420286.db2.gz KTIOBWOXVHPIIX-UHFFFAOYSA-N -1 0 340.763 3.166 20 30 EGEDRM N#Cc1cc(NC(=O)c2snc(Cl)c2Cl)c([O-])cc1F ZINC001196341616 1368592158 /nfs/dbraw/zinc/59/21/58/1368592158.db2.gz HKCGFTXYXBDRPZ-UHFFFAOYSA-N -1 0 332.143 3.419 20 30 EGEDRM C[C@@H](O)c1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)c1 ZINC001196639897 1368654529 /nfs/dbraw/zinc/65/45/29/1368654529.db2.gz TVWRQZWEPHJSFJ-SNVBAGLBSA-N -1 0 336.800 3.066 20 30 EGEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2c(c1)COC2 ZINC001196639756 1368654641 /nfs/dbraw/zinc/65/46/41/1368654641.db2.gz PVRCOKLETFQSCV-UHFFFAOYSA-N -1 0 334.784 3.043 20 30 EGEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cnc(Cl)c(F)c1 ZINC001196649879 1368655142 /nfs/dbraw/zinc/65/51/42/1368655142.db2.gz BRASMUUGWDQLJG-UHFFFAOYSA-N -1 0 346.170 3.200 20 30 EGEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ncccc1Cl ZINC001196650556 1368656064 /nfs/dbraw/zinc/65/60/64/1368656064.db2.gz PNVYQIBHIGUJMM-UHFFFAOYSA-N -1 0 328.180 3.061 20 30 EGEDRM N#Cc1oc2ccccc2c1[N-]C(=O)c1ncn(Cc2ccccc2)n1 ZINC001197177325 1368760593 /nfs/dbraw/zinc/76/05/93/1368760593.db2.gz QCGSICZBPPWTHM-UHFFFAOYSA-N -1 0 343.346 3.197 20 30 EGEDRM CCCCCCCC(=O)c1ccc([O-])c(C(=O)NC[C@H]2C[C@@H](O)C2)c1 ZINC001197366402 1368799804 /nfs/dbraw/zinc/79/98/04/1368799804.db2.gz XEMWFVNCNCBYDH-FZNQNYSPSA-N -1 0 347.455 3.436 20 30 EGEDRM N#Cc1cc(Cl)ccc1[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC001197600506 1368850967 /nfs/dbraw/zinc/85/09/67/1368850967.db2.gz QQCNISWMCIWAIZ-UHFFFAOYSA-N -1 0 342.754 3.432 20 30 EGEDRM Cc1c(Cl)c(C#N)ccc1[N-]S(=O)(=O)c1cccc(Cl)n1 ZINC001198233732 1368984968 /nfs/dbraw/zinc/98/49/68/1368984968.db2.gz SGTNZRAMTHHZCL-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2C#N)cn1 ZINC001198315520 1369007490 /nfs/dbraw/zinc/00/74/90/1369007490.db2.gz YYJMCMOAXJEFKD-UHFFFAOYSA-N -1 0 341.314 3.081 20 30 EGEDRM COc1cccc([N-]S(=O)(=O)c2ccc3occc3c2)c1C#N ZINC001198859219 1369133355 /nfs/dbraw/zinc/13/33/55/1369133355.db2.gz RROBWRYTSWRJIY-UHFFFAOYSA-N -1 0 328.349 3.114 20 30 EGEDRM COc1cc(S(=O)(=O)[N-]c2c(C#N)oc3ccccc32)ccc1F ZINC001200376021 1369356990 /nfs/dbraw/zinc/35/69/90/1369356990.db2.gz YVLZVFQNVBPBHS-UHFFFAOYSA-N -1 0 346.339 3.253 20 30 EGEDRM Cc1nc(Cl)sc1S(=O)(=O)[N-]c1cc(F)c(C#N)cc1F ZINC001201756476 1369616920 /nfs/dbraw/zinc/61/69/20/1369616920.db2.gz TZZCUHOHOMPPCC-UHFFFAOYSA-N -1 0 349.771 3.056 20 30 EGEDRM COC(=O)c1sc(Nc2ccc(C(=O)[O-])cc2F)c(C#N)c1C ZINC001203286464 1370062808 /nfs/dbraw/zinc/06/28/08/1370062808.db2.gz SCIAMNGEHLUTRF-UHFFFAOYSA-N -1 0 334.328 3.296 20 30 EGEDRM N#Cc1c([O-])csc1Nc1ccc(C2(N3CCOCC3)CC2)cc1 ZINC001205798315 1370875939 /nfs/dbraw/zinc/87/59/39/1370875939.db2.gz HKTVGKOMPQWIEM-UHFFFAOYSA-N -1 0 341.436 3.390 20 30 EGEDRM O=C([O-])c1cccc(COc2cccc(C=Nn3ccccc3=O)c2)c1 ZINC001116482207 1370922004 /nfs/dbraw/zinc/92/20/04/1370922004.db2.gz JJXMSINVMAZWRT-UHFFFAOYSA-N -1 0 348.358 3.008 20 30 EGEDRM C=CC[C@H](NC(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC001116906158 1370998079 /nfs/dbraw/zinc/99/80/79/1370998079.db2.gz GEVPJBZIIQNPRX-XQQFMLRXSA-N -1 0 328.195 3.242 20 30 EGEDRM C=CC[C@H](NC(=O)CCc1cccc(OC2CCCC2)c1)C(=O)[O-] ZINC001116921811 1371001234 /nfs/dbraw/zinc/00/12/34/1371001234.db2.gz JBGXQMYVZXQJHD-KRWDZBQOSA-N -1 0 331.412 3.086 20 30 EGEDRM C=CCC[C@@H](NC(=O)N[C@@H](C)c1ccc(Cl)c(F)c1)C(=O)[O-] ZINC001117851296 1371101016 /nfs/dbraw/zinc/10/10/16/1371101016.db2.gz BXTUTGRDSANBOV-TVQRCGJNSA-N -1 0 328.771 3.259 20 30 EGEDRM N#Cc1ccc(Nc2cc(F)cc(C(=O)[O-])c2)c(Br)n1 ZINC001209887278 1372222797 /nfs/dbraw/zinc/22/27/97/1372222797.db2.gz WITXYSLMDPVEOK-UHFFFAOYSA-N -1 0 336.120 3.297 20 30 EGEDRM Cc1oc(C(C)(C)C)cc1C([O-])=C(C#N)C(=O)NCCCOC(C)C ZINC001122533354 1372268064 /nfs/dbraw/zinc/26/80/64/1372268064.db2.gz KQNAIJYXXRPQAQ-OAHLLOKOSA-N -1 0 348.443 3.139 20 30 EGEDRM COc1ccc2cc(C([O-])=C(C#N)C(=O)NC3CCCC3)ccc2c1 ZINC001122624794 1372286606 /nfs/dbraw/zinc/28/66/06/1372286606.db2.gz IGYKHRQMPBIJPU-GOSISDBHSA-N -1 0 336.391 3.230 20 30 EGEDRM COc1ccc(C(=O)[O-])cc1Nc1c(C#N)cnn1-c1ccccc1 ZINC001210255420 1372307198 /nfs/dbraw/zinc/30/71/98/1372307198.db2.gz ULWDKJGDKIAHIT-UHFFFAOYSA-N -1 0 334.335 3.194 20 30 EGEDRM N#Cc1ccc(Nc2ccc([O-])c([N+](=O)[O-])c2)c(Br)n1 ZINC001210393152 1372341220 /nfs/dbraw/zinc/34/12/20/1372341220.db2.gz PRWGZXNWRARVJG-UHFFFAOYSA-N -1 0 335.117 3.073 20 30 EGEDRM COC(=O)c1cc(C#N)cc(C)c1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210399790 1372343184 /nfs/dbraw/zinc/34/31/84/1372343184.db2.gz UUWCELPUWOWIQQ-UHFFFAOYSA-N -1 0 327.296 3.011 20 30 EGEDRM CCOC(=O)c1c(C)oc(Nc2ccc(C(=O)[O-])c(C)c2)c1C#N ZINC001211652692 1372596216 /nfs/dbraw/zinc/59/62/16/1372596216.db2.gz LJAOMEJIOSDTHW-UHFFFAOYSA-N -1 0 328.324 3.387 20 30 EGEDRM COc1ccc(Nc2ccc(C#N)cc2Cl)c(S(=O)(=O)[O-])c1 ZINC001213997698 1372992241 /nfs/dbraw/zinc/99/22/41/1372992241.db2.gz JJCHJYQGTMSXKS-UHFFFAOYSA-N -1 0 338.772 3.211 20 30 EGEDRM N#Cc1cc(N)c(Nc2cc(C(=O)[O-])cnc2F)cc1C(F)(F)F ZINC001215135625 1373176168 /nfs/dbraw/zinc/17/61/68/1373176168.db2.gz KFWWEAMKNRWIMD-UHFFFAOYSA-N -1 0 340.236 3.135 20 30 EGEDRM COc1ncc(Nc2cc(F)c(Br)cc2C#N)cc1O ZINC001216210316 1373280462 /nfs/dbraw/zinc/28/04/62/1373280462.db2.gz DOBHYPBVARBKLA-UHFFFAOYSA-N -1 0 338.136 3.313 20 30 EGEDRM N#Cc1cccc(Nc2cc(S(=O)(=O)[O-])ccc2Cl)c1F ZINC001216416986 1373306477 /nfs/dbraw/zinc/30/64/77/1373306477.db2.gz IONHIOZEUNDSEQ-UHFFFAOYSA-N -1 0 326.736 3.341 20 30 EGEDRM N#Cc1cccc(-c2nc(-c3cccc(-c4ccccn4)n3)no2)c1[O-] ZINC001216979541 1373374655 /nfs/dbraw/zinc/37/46/55/1373374655.db2.gz BMFGTGOGSCPMJU-UHFFFAOYSA-N -1 0 341.330 3.438 20 30 EGEDRM N#Cc1ccc(-c2nc(-c3ccc(-n4cccn4)cc3)no2)c([O-])c1 ZINC001217039247 1373382127 /nfs/dbraw/zinc/38/21/27/1373382127.db2.gz POGWNKLMXRGSPX-UHFFFAOYSA-N -1 0 329.319 3.167 20 30 EGEDRM N#Cc1ccc(-c2noc(-c3c(O)cc4ccccc4c3[O-])n2)nc1 ZINC001217452069 1373446521 /nfs/dbraw/zinc/44/65/21/1373446521.db2.gz BGLXOCJWDMRDHS-UHFFFAOYSA-N -1 0 330.303 3.235 20 30 EGEDRM O=C(NC1=C(c2ccccc2)C(=O)c2ccccc21)c1ccncc1[O-] ZINC001188639220 1388350937 /nfs/dbraw/zinc/35/09/37/1388350937.db2.gz WHIFANBCRHMCMC-UHFFFAOYSA-N -1 0 342.354 3.282 20 30 EGEDRM CCC1=C(Oc2c(O)cc(Br)cc2F)C(=O)[C@H](C)O1 ZINC001227588136 1375448243 /nfs/dbraw/zinc/44/82/43/1375448243.db2.gz PGNCJKHHNFRXBY-LURJTMIESA-N -1 0 331.137 3.282 20 30 EGEDRM C=CCC[C@H](CC)Oc1c([O-])c(C(=O)OC)sc1C(=O)OC ZINC001227621894 1375456023 /nfs/dbraw/zinc/45/60/23/1375456023.db2.gz IWCRPJLWHALEKM-VIFPVBQESA-N -1 0 328.386 3.151 20 30 EGEDRM C=C[C@@]1(C)CC[C@H](Oc2nc(C3CC3)[n-]c(=O)c2[N+](=O)[O-])C(C)(C)O1 ZINC001228609780 1375615586 /nfs/dbraw/zinc/61/55/86/1375615586.db2.gz IMGOBJILQUTTNL-GTNSWQLSSA-N -1 0 349.387 3.249 20 30 EGEDRM Cc1cc([S-])ccc1O[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC001229634751 1375870208 /nfs/dbraw/zinc/87/02/08/1375870208.db2.gz LZENQVYILFUIOW-WFASDCNBSA-N -1 0 334.441 3.422 20 30 EGEDRM COc1ccc2nc(=O)[n-]c(O[C@H](C#N)c3ccccc3F)c2c1 ZINC001230861472 1376168410 /nfs/dbraw/zinc/16/84/10/1376168410.db2.gz BDNIATPDBBUSBS-OAHLLOKOSA-N -1 0 325.299 3.127 20 30 EGEDRM COc1ccc2nc(=O)[n-]c(O[C@@H](C#N)c3ccccc3F)c2c1 ZINC001230861471 1376168512 /nfs/dbraw/zinc/16/85/12/1376168512.db2.gz BDNIATPDBBUSBS-HNNXBMFYSA-N -1 0 325.299 3.127 20 30 EGEDRM C#C[C@H](C)Oc1nc(SC)[n-]c(=O)c1Oc1ccc(OC)cc1 ZINC001231120105 1376206208 /nfs/dbraw/zinc/20/62/08/1376206208.db2.gz HCXBSUFVRVRNIR-JTQLQIEISA-N -1 0 332.381 3.106 20 30 EGEDRM N#Cc1ccc([O-])c(CN(Cc2ccccn2)Cc2ccccn2)c1 ZINC001232674370 1376498615 /nfs/dbraw/zinc/49/86/15/1376498615.db2.gz YIQPUHWVPMUHHU-UHFFFAOYSA-N -1 0 330.391 3.256 20 30 EGEDRM CC(C)(C)OC(=O)[C@H](C#N)c1nccnc1-c1cc(F)cc(F)c1[O-] ZINC001243501632 1377032083 /nfs/dbraw/zinc/03/20/83/1377032083.db2.gz MCXDAOIUZHHKRK-LLVKDONJSA-N -1 0 347.321 3.076 20 30 EGEDRM CC[C@H](C(=O)Nc1nc(C#N)c(C#N)[n-]1)c1cccc(C(F)(F)F)c1 ZINC001143815432 1378649453 /nfs/dbraw/zinc/64/94/53/1378649453.db2.gz VZTJQOHLYYBIQL-NSHDSACASA-N -1 0 347.300 3.304 20 30 EGEDRM CC(=O)Nc1ccc(NC(=O)c2ccc3cccnc3c2[O-])cc1C#N ZINC001149322428 1379364871 /nfs/dbraw/zinc/36/48/71/1379364871.db2.gz MOYHDGLXFSUTEI-UHFFFAOYSA-N -1 0 346.346 3.023 20 30 EGEDRM N#Cc1cc(NC(=O)c2cc3c[nH]c(Cl)cc-3n2)c([O-])cc1F ZINC001151416038 1379715634 /nfs/dbraw/zinc/71/56/34/1379715634.db2.gz MRXVJDOCWHZCSQ-UHFFFAOYSA-N -1 0 330.706 3.185 20 30 EGEDRM N#CCc1cc(NC(=O)c2cc(=O)c3cccc(O)c3[n-]2)ccc1F ZINC001152680279 1379968895 /nfs/dbraw/zinc/96/88/95/1379968895.db2.gz MRFUDAGCXOGTNX-UHFFFAOYSA-N -1 0 337.310 3.103 20 30 EGEDRM Cc1cc(C#N)c(F)cc1NC(=O)c1cc(=O)c2cccc(O)c2[n-]1 ZINC001152680028 1379969129 /nfs/dbraw/zinc/96/91/29/1379969129.db2.gz JXBMZAIJZYQWSR-UHFFFAOYSA-N -1 0 337.310 3.218 20 30 EGEDRM N#Cc1cnn(-c2ccccc2)c1Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001174502828 1385114526 /nfs/dbraw/zinc/11/45/26/1385114526.db2.gz JMJPGVXVLNFERM-UHFFFAOYSA-N -1 0 349.306 3.094 20 30 EGEDRM C=CCOC(=O)c1ccccc1Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001174505603 1385114863 /nfs/dbraw/zinc/11/48/63/1385114863.db2.gz YXQTUKBDDCVYAV-UHFFFAOYSA-N -1 0 342.307 3.379 20 30 EGEDRM COC(=O)c1sc(Nc2cc(C(=O)[O-])ccc2C)c(C#N)c1C ZINC001174982501 1385178612 /nfs/dbraw/zinc/17/86/12/1385178612.db2.gz ZNTJITNHNPIOHB-UHFFFAOYSA-N -1 0 330.365 3.465 20 30 EGEDRM CCCCCCCS(=O)(=O)[N-]c1nnc(-c2cccnc2)s1 ZINC001321218271 1386844166 /nfs/dbraw/zinc/84/41/66/1386844166.db2.gz OVDQWSGFQZCMMQ-UHFFFAOYSA-N -1 0 340.474 3.312 20 30 EGEDRM COc1ccc2[nH]c(C)c(CC(=O)Nc3ccc(O)c(C#N)c3)c2c1 ZINC001181198511 1386957831 /nfs/dbraw/zinc/95/78/31/1386957831.db2.gz JFHPAUZDTSUGNG-UHFFFAOYSA-N -1 0 335.363 3.243 20 30 EGEDRM C=CC[C@@H](NC(=O)c1ccc2[nH]c3c(c2c1)CCCCC3)C(=O)[O-] ZINC001322601432 1387211742 /nfs/dbraw/zinc/21/17/42/1387211742.db2.gz REQGJVJEUIPXKY-QGZVFWFLSA-N -1 0 326.396 3.196 20 30 EGEDRM C=CCn1c(-c2c[n-]n(CC)c2=O)nnc1N1CCC[C@@H](CCC)C1 ZINC001338694326 1389734718 /nfs/dbraw/zinc/73/47/18/1389734718.db2.gz VMAFTLYPECVRKI-CQSZACIVSA-N -1 0 344.463 3.070 20 30 EGEDRM C=CC[C@H](NC(=O)N1CCCC[C@H]1CCC(=O)[O-])c1ccncc1 ZINC001340476628 1390294436 /nfs/dbraw/zinc/29/44/36/1390294436.db2.gz IOYKOXXXPUHZID-HOTGVXAUSA-N -1 0 331.416 3.128 20 30 EGEDRM CC(C)c1cccc(N(C)c2nnc(-c3c[n-]c(=O)c(C#N)c3)n2C)c1 ZINC001341378908 1390479126 /nfs/dbraw/zinc/47/91/26/1390479126.db2.gz ZYZNBTRQECXBCW-UHFFFAOYSA-N -1 0 348.410 3.346 20 30 EGEDRM CC(C)(C)c1cc(C([O-])=C(C#N)c2nccn2Cc2ccccc2)n[nH]1 ZINC001342925050 1390673775 /nfs/dbraw/zinc/67/37/75/1390673775.db2.gz QHGNWZBHWRMYRF-HNNXBMFYSA-N -1 0 347.422 3.442 20 30 EGEDRM CCCc1nc(C([O-])=C(C#N)c2nccn2Cc2ccccc2)co1 ZINC001343703683 1390731909 /nfs/dbraw/zinc/73/19/09/1390731909.db2.gz CMJFDMWZYXMVGO-OAHLLOKOSA-N -1 0 334.379 3.362 20 30 EGEDRM CSc1ccc([N+](=O)[O-])c(C([O-])=C(C#N)c2cccc(F)n2)c1 ZINC001344002400 1390749360 /nfs/dbraw/zinc/74/93/60/1390749360.db2.gz ASWAZCBXAJVPDN-LLVKDONJSA-N -1 0 331.328 3.341 20 30 EGEDRM Cc1ccc(-c2nc(C([O-])=C(C#N)c3cccc(F)n3)cs2)n1C ZINC001344597444 1390802070 /nfs/dbraw/zinc/80/20/70/1390802070.db2.gz VTVGSCLNTHXDPG-LLVKDONJSA-N -1 0 340.383 3.481 20 30 EGEDRM CCO[C@@H](C)c1ncc(C([O-])=C(C#N)c2ncc(Cl)n2C)s1 ZINC001346095577 1390907041 /nfs/dbraw/zinc/90/70/41/1390907041.db2.gz GOUIEAVOUOEDST-IUCAKERBSA-N -1 0 338.820 3.118 20 30 EGEDRM COc1cc(C)ccc1C(=O)C=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000821707898 1428614297 /nfs/dbraw/zinc/61/42/97/1428614297.db2.gz HAQQMCBKCHUBOC-SOFGYWHQSA-N -1 0 338.342 3.219 20 30 EGEDRM CC(=NNc1cc(-c2nn[n-]n2)cc(Cl)n1)c1c(F)cccc1F ZINC000823953591 1428780272 /nfs/dbraw/zinc/78/02/72/1428780272.db2.gz IJZVLVFMGGPZMQ-UHFFFAOYSA-N -1 0 349.732 3.029 20 30 EGEDRM C=CCN(CC=C)C(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000819739789 1429241378 /nfs/dbraw/zinc/24/13/78/1429241378.db2.gz HPLUPMWXVQIEBF-UHFFFAOYSA-N -1 0 345.406 3.348 20 30 EGEDRM C=CCC(CC=C)C(=O)N(CCC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000819734371 1423492045 /nfs/dbraw/zinc/49/20/45/1423492045.db2.gz NERVGQBXLXIZQH-UHFFFAOYSA-N -1 0 339.443 3.374 20 30 EGEDRM Cc1ccc2c(c1C)C(=O)C(=Cc1ccc(-c3nn[n-]n3)s1)CO2 ZINC000822279882 1423776035 /nfs/dbraw/zinc/77/60/35/1423776035.db2.gz FCFVXVPPQVGWOY-XFFZJAGNSA-N -1 0 338.392 3.204 20 30 EGEDRM Fc1ccc(C(F)(F)F)cc1N=NCc1ccc(-c2nn[n-]n2)o1 ZINC000826373617 1429687689 /nfs/dbraw/zinc/68/76/89/1429687689.db2.gz SZQSWOVHOJDKSZ-UHFFFAOYSA-N -1 0 340.240 3.064 20 30 EGEDRM N#Cc1ccc2c(c1)CCC(=Cc1ccc(-c3nn[n-]n3)s1)C2=O ZINC000822837358 1424588957 /nfs/dbraw/zinc/58/89/57/1424588957.db2.gz LFWHCKFFXFAPGF-WQLSENKSSA-N -1 0 333.376 3.012 20 30 EGEDRM C[C@@H]1CCC[C@H](CCSc2nc(N)c(-c3nn[n-]n3)cc2C#N)C1 ZINC000820697104 1425767635 /nfs/dbraw/zinc/76/76/35/1425767635.db2.gz DXLXOAACINJGCG-GHMZBOCLSA-N -1 0 343.460 3.024 20 30 EGEDRM CCc1noc(C)c1C(C)=NNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825772071 1426166085 /nfs/dbraw/zinc/16/60/85/1426166085.db2.gz YPXOCQOVXNNTJM-UHFFFAOYSA-N -1 0 345.794 3.215 20 30 EGEDRM N#Cc1c(Cl)nsc1Sc1ccc(-c2nnn[n-]2)cc1F ZINC000826383041 1427426345 /nfs/dbraw/zinc/42/63/45/1427426345.db2.gz HQGWRWDEKXXZIH-UHFFFAOYSA-N -1 0 338.780 3.139 20 30 EGEDRM CCO[C@H]1CC(N=Nc2cccc(-c3nn[n-]n3)c2)C12CCCC2 ZINC000821350948 1427527202 /nfs/dbraw/zinc/52/72/02/1427527202.db2.gz HCZLMKWVCQODBU-HNNXBMFYSA-N -1 0 326.404 3.004 20 30 EGEDRM COc1cc(-c2nn[n-]n2)ccc1OCc1ccccc1C(C)(C)C#N ZINC000821702391 1427591994 /nfs/dbraw/zinc/59/19/94/1427591994.db2.gz ROIYXAYTNKYISU-UHFFFAOYSA-N -1 0 349.394 3.255 20 30 EGEDRM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)[C@@H](C)C#N ZINC000737281470 1427713226 /nfs/dbraw/zinc/71/32/26/1427713226.db2.gz ZVHWTOAXLKBIFH-LBPRGKRZSA-N -1 0 348.366 3.066 20 30 EGEDRM O=C(C=Cc1cccc2cnccc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000826401257 1429912768 /nfs/dbraw/zinc/91/27/68/1429912768.db2.gz TWJIYWRQQYNKBN-HJWRWDBZSA-N -1 0 327.347 3.311 20 30 EGEDRM CCCCCCCCNC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000825272115 1429964081 /nfs/dbraw/zinc/96/40/81/1429964081.db2.gz VFESFWGIIGLUAO-UHFFFAOYSA-N -1 0 344.463 3.369 20 30 EGEDRM COc1ccc(C=C2C(=O)c3ccccc3C2(C)C)cc1-c1nn[n-]n1 ZINC000737083553 1441429721 /nfs/dbraw/zinc/42/97/21/1441429721.db2.gz PVYTYLHRLOPWDH-LFIBNONCSA-N -1 0 346.390 3.433 20 30 EGEDRM O=C(C=Cc1cc(F)c(F)c(F)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826399960 1441457348 /nfs/dbraw/zinc/45/73/48/1441457348.db2.gz LJMUFHKZNTWNOX-DAFODLJHSA-N -1 0 348.259 3.319 20 30 EGEDRM CCCCC[C@H](CC)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000825268420 1441651270 /nfs/dbraw/zinc/65/12/70/1441651270.db2.gz UVOAEFAHPPFUPL-LBPRGKRZSA-N -1 0 326.404 3.283 20 30 EGEDRM COc1ccc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)s1 ZINC000826190989 1441687977 /nfs/dbraw/zinc/68/79/77/1441687977.db2.gz SXHQTGLATHJKBV-UHFFFAOYSA-N -1 0 334.792 3.036 20 30 EGEDRM C=CCN(Cc1ccc(-c2nn[n-]n2)o1)Cc1ccc(Cl)s1 ZINC000823909948 1443271965 /nfs/dbraw/zinc/27/19/65/1443271965.db2.gz TWWQLSSJRPTFPV-UHFFFAOYSA-N -1 0 335.820 3.363 20 30 EGEDRM C[C@@H](Nc1ccccc1O[C@@H](C)C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000824035047 1443710552 /nfs/dbraw/zinc/71/05/52/1443710552.db2.gz SDZBTGMUAWYMRT-QWHCGFSZSA-N -1 0 334.383 3.331 20 30 EGEDRM Cc1cc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)cnc1Cl ZINC000826266487 1444012632 /nfs/dbraw/zinc/01/26/32/1444012632.db2.gz QCQCLHVBDRELLQ-UHFFFAOYSA-N -1 0 348.197 3.323 20 30 EGEDRM Oc1ccc2ccccc2c1C=NCc1cc(-c2nn[n-]n2)ccc1F ZINC000823731865 1446152592 /nfs/dbraw/zinc/15/25/92/1446152592.db2.gz GISVOZRJKOUWEU-SRZZPIQSSA-N -1 0 347.353 3.484 20 30 EGEDRM Cc1cccc(C(C)N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)c1 ZINC000823958799 1446459070 /nfs/dbraw/zinc/45/90/70/1446459070.db2.gz XFBNCOALZAPLKG-UHFFFAOYSA-N -1 0 327.779 3.060 20 30 EGEDRM C=CCNC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823925230 1446577767 /nfs/dbraw/zinc/57/77/67/1446577767.db2.gz GGTJOYCPYLNUPG-ZDUSSCGKSA-N -1 0 348.410 3.080 20 30 EGEDRM C#CCCCCNC(=O)N[C@](CC)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000837299570 939227491 /nfs/dbraw/zinc/22/74/91/939227491.db2.gz VUTLEWNDLCEXSD-KRWDZBQOSA-N -1 0 336.819 3.133 20 30 EGEDRM CC(C)c1nc(-c2nnn[n-]2)c(N=NC[C@@H](C)Cc2ccccc2)o1 ZINC000824384455 946674608 /nfs/dbraw/zinc/67/46/08/946674608.db2.gz BTIFPRXZNBAUQY-LBPRGKRZSA-N -1 0 339.403 3.255 20 30 EGEDRM O=C([O-])c1ccc(C(=O)N2CCCSC2=Nc2ccccc2)nc1 ZINC001595215793 949223927 /nfs/dbraw/zinc/22/39/27/949223927.db2.gz AHJXGELANAYCHB-UHFFFAOYSA-N -1 0 341.392 3.047 20 30 EGEDRM C=C(C)COc1cccc(NC(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)c1 ZINC000263151131 950296555 /nfs/dbraw/zinc/29/65/55/950296555.db2.gz PLQNDRDNLRKLOC-ZIAGYGMSSA-N -1 0 332.400 3.216 20 30 EGEDRM N#CCSc1ccccc1C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000321599774 951018384 /nfs/dbraw/zinc/01/83/84/951018384.db2.gz QYFVSUHNWRTQNH-ZDUSSCGKSA-N -1 0 332.425 3.019 20 30 EGEDRM O=C(Nc1ccccc1C#Cc1ccccc1)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001594811004 953819887 /nfs/dbraw/zinc/81/98/87/953819887.db2.gz RDGLXUWLIUJRTD-QAQDUYKDSA-N -1 0 334.375 3.071 20 30 EGEDRM CN(CCCC(=O)[O-])C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC001593746234 954389393 /nfs/dbraw/zinc/38/93/93/954389393.db2.gz VMANFEZRGRIUMN-UHFFFAOYSA-N -1 0 336.391 3.415 20 30 EGEDRM CCC(CC)(C(=O)[O-])C(=O)Nc1cccc(C#N)c1Br ZINC001589479834 954967720 /nfs/dbraw/zinc/96/77/20/954967720.db2.gz BKIABNDMAORLCQ-UHFFFAOYSA-N -1 0 339.189 3.150 20 30 EGEDRM CCC(CC)(CNC(=O)N[C@H]1CCCc2cc(C#N)ccc21)C(=O)[O-] ZINC001589489492 955011420 /nfs/dbraw/zinc/01/14/20/955011420.db2.gz OYVCBMNLWBVFBV-INIZCTEOSA-N -1 0 343.427 3.126 20 30 EGEDRM C[C@@H](NC(=O)C[C@@H](CC#N)c1ccccc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589094668 955975448 /nfs/dbraw/zinc/97/54/48/955975448.db2.gz YSLDVWGMGUSRIT-MXASKKJJSA-N -1 0 342.439 3.326 20 30 EGEDRM N#CC[C@H](CC(=O)NC1(CC(=O)[O-])CCCCC1)c1ccccc1 ZINC001594606236 956179913 /nfs/dbraw/zinc/17/99/13/956179913.db2.gz QRIRBVOBNMMOPK-MRXNPFEDSA-N -1 0 328.412 3.368 20 30 EGEDRM N#CCCC[C@H](NC(=O)Nc1ccnc(C(=O)[O-])c1)c1ccccc1 ZINC001594609251 956192411 /nfs/dbraw/zinc/19/24/11/956192411.db2.gz ZGGROSXGNIQJNZ-HNNXBMFYSA-N -1 0 338.367 3.336 20 30 EGEDRM N#Cc1c[nH]c2cc(C(=O)N[C@H]3C[C@H](C(=O)[O-])c4ccccc43)ccc12 ZINC001594614381 956230648 /nfs/dbraw/zinc/23/06/48/956230648.db2.gz SZJVJXGMAYBNIA-WMZOPIPTSA-N -1 0 345.358 3.083 20 30 EGEDRM N#Cc1cc(C(F)(F)F)cc(N2Cc3ccccc3[C@H](C(=O)[O-])C2)n1 ZINC001594616183 956238194 /nfs/dbraw/zinc/23/81/94/956238194.db2.gz KQZBSWGUESAQIU-CQSZACIVSA-N -1 0 347.296 3.160 20 30 EGEDRM N#Cc1cc(C(F)(F)F)cc(N2Cc3ccccc3[C@@H](C(=O)[O-])C2)n1 ZINC001594616180 956238269 /nfs/dbraw/zinc/23/82/69/956238269.db2.gz KQZBSWGUESAQIU-AWEZNQCLSA-N -1 0 347.296 3.160 20 30 EGEDRM N#Cc1ccc(NC2CC2)c(NC(=O)c2coc(/C=C\C(=O)[O-])c2)c1 ZINC001594622649 956290918 /nfs/dbraw/zinc/29/09/18/956290918.db2.gz CVRDTVFIAXJAIM-XQRVVYSFSA-N -1 0 337.335 3.076 20 30 EGEDRM N#Cc1ccc(N[C@@H](Cc2ccccc2)C(=O)[O-])cc1Br ZINC001594624237 956303012 /nfs/dbraw/zinc/30/30/12/956303012.db2.gz UKVOOPKMMKOLKP-HNNXBMFYSA-N -1 0 345.196 3.429 20 30 EGEDRM Cc1cc(N(CCC#N)C(=O)CS[C@@H](C)C(=O)[O-])ccc1Cl ZINC001594311894 958037950 /nfs/dbraw/zinc/03/79/50/958037950.db2.gz QEWLJJVGGMXPTD-NSHDSACASA-N -1 0 340.832 3.101 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC001588397679 958061924 /nfs/dbraw/zinc/06/19/24/958061924.db2.gz QNPXRUVAMWDJNL-GOSISDBHSA-N -1 0 341.794 3.018 20 30 EGEDRM Cc1ccc(C#N)cc1NC(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001594342778 958308395 /nfs/dbraw/zinc/30/83/95/958308395.db2.gz VGZKFJUZFOOEFN-DOTOQJQBSA-N -1 0 335.363 3.301 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC(C)(c2cccc(Cl)c2)CC1 ZINC001588536251 958934141 /nfs/dbraw/zinc/93/41/41/958934141.db2.gz UYVQUPTVEREPTM-SFHVURJKSA-N -1 0 348.830 3.225 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1CCc2ccc(-c3ccccc3)cc2C1 ZINC001588539096 958951273 /nfs/dbraw/zinc/95/12/73/958951273.db2.gz XATFPBNSTRFMFV-OAQYLSRUSA-N -1 0 348.402 3.243 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1cc(Cl)cc(Br)c1 ZINC001588542177 958968791 /nfs/dbraw/zinc/96/87/91/958968791.db2.gz TYHRDQMFXWHENC-GFCCVEGCSA-N -1 0 345.580 3.046 20 30 EGEDRM C[C@@H](C(=O)[O-])c1noc(-c2cccc(COc3ccccc3C#N)c2)n1 ZINC001588602670 959446640 /nfs/dbraw/zinc/44/66/40/959446640.db2.gz JLCIJPLNFSFZSD-GFCCVEGCSA-N -1 0 349.346 3.375 20 30 EGEDRM Cc1c2cc(C#N)ccc2sc1C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC001594255752 959645302 /nfs/dbraw/zinc/64/53/02/959645302.db2.gz KYDLPKYWTVSJJJ-ZWNOBZJWSA-N -1 0 342.420 3.264 20 30 EGEDRM CCN(Cc1ccc(C(=O)[O-])cc1Br)C[C@@H](C)C#N ZINC000226724646 959897807 /nfs/dbraw/zinc/89/78/07/959897807.db2.gz OQWCAAMGYVLHEB-JTQLQIEISA-N -1 0 325.206 3.129 20 30 EGEDRM CC[C@H](CNC(=O)Nc1ccccc1C#Cc1ccccc1)C(=O)[O-] ZINC001573804244 960839716 /nfs/dbraw/zinc/83/97/16/960839716.db2.gz NYQOWZRVZOCQJB-MRXNPFEDSA-N -1 0 336.391 3.319 20 30 EGEDRM Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@H](C)C(=O)[O-] ZINC001574333295 960899450 /nfs/dbraw/zinc/89/94/50/960899450.db2.gz NSDKFJPIEWSBFI-ZDUSSCGKSA-N -1 0 340.354 3.260 20 30 EGEDRM CCCC[C@@H](ON=C(C)C)C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC001573841514 961082318 /nfs/dbraw/zinc/08/23/18/961082318.db2.gz UPUXCMXTYKYCMM-APWZRJJASA-N -1 0 348.443 3.116 20 30 EGEDRM CC(C)[C@H](C(=O)[O-])C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl ZINC001588804075 961454684 /nfs/dbraw/zinc/45/46/84/961454684.db2.gz MQXMMXCHMKKXSI-MNOVXSKESA-N -1 0 329.183 3.031 20 30 EGEDRM N#CCSc1cccc(C(=O)Nc2ccccc2CC(=O)[O-])c1 ZINC001574480992 961668013 /nfs/dbraw/zinc/66/80/13/961668013.db2.gz SHMKHPNEUYDNTN-UHFFFAOYSA-N -1 0 326.377 3.182 20 30 EGEDRM CC(C)[C@H](CNC(=O)c1ccc(C#Cc2ccccc2)cc1)C(=O)[O-] ZINC001588829500 961683839 /nfs/dbraw/zinc/68/38/39/961683839.db2.gz GYOJPTDMUXCIEI-IBGZPJMESA-N -1 0 335.403 3.173 20 30 EGEDRM N#Cc1ccc(Oc2cccc(NC(=O)[C@H](C(=O)[O-])C3CC3)c2)cc1 ZINC001574487764 961690114 /nfs/dbraw/zinc/69/01/14/961690114.db2.gz GFLIPMKWHVCNKS-QGZVFWFLSA-N -1 0 336.347 3.400 20 30 EGEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C ZINC001588936191 962504642 /nfs/dbraw/zinc/50/46/42/962504642.db2.gz MOOLDNOOFBDXIG-OCCSQVGLSA-N -1 0 345.399 3.062 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)c1cc(-c2ccc(CC)cc2)on1)C(=O)[O-] ZINC001573322028 962764398 /nfs/dbraw/zinc/76/43/98/962764398.db2.gz UFPXGKAWLKEGDZ-OAHLLOKOSA-N -1 0 328.368 3.053 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H](C)COc1ccccc1C(F)(F)F ZINC001573332997 962847895 /nfs/dbraw/zinc/84/78/95/962847895.db2.gz VFDZECBNRXTAIQ-NSHDSACASA-N -1 0 345.317 3.010 20 30 EGEDRM C=CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)CC1(C(=O)[O-])CCCCC1 ZINC001573352901 962994643 /nfs/dbraw/zinc/99/46/43/962994643.db2.gz MSEABMQXGAWVBG-CABCVRRESA-N -1 0 343.489 3.076 20 30 EGEDRM C=CC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001573353376 963001184 /nfs/dbraw/zinc/00/11/84/963001184.db2.gz UDNYBBJXBAVZMD-CZUORRHYSA-N -1 0 337.441 3.106 20 30 EGEDRM C=CCC[C@H](NCc1cc(C(=O)[O-])ccc1Cl)C(=O)OCC ZINC001573357792 963021765 /nfs/dbraw/zinc/02/17/65/963021765.db2.gz SPGUEXKECYDNRC-AWEZNQCLSA-N -1 0 325.792 3.026 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1ccc(Br)c(C)c1)C(=O)[O-] ZINC001573367495 963066708 /nfs/dbraw/zinc/06/67/08/963066708.db2.gz XDGJDPPDACHVIP-CYBMUJFWSA-N -1 0 340.217 3.297 20 30 EGEDRM CCCCCCCCC(=O)N1C[C@@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1 ZINC000868452066 969341060 /nfs/dbraw/zinc/34/10/60/969341060.db2.gz SKVNYHMIYUXLMV-CVEARBPZSA-N -1 0 349.475 3.187 20 30 EGEDRM Cc1cc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)ncc1C#N ZINC001600098740 970757184 /nfs/dbraw/zinc/75/71/84/970757184.db2.gz BKZSNYQHRFUQFA-UHFFFAOYSA-N -1 0 333.706 3.005 20 30 EGEDRM C=CC[C@@H](CC)NS(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC000393756112 972636786 /nfs/dbraw/zinc/63/67/86/972636786.db2.gz GBDXFOPKIXWZRF-SNVBAGLBSA-N -1 0 339.438 3.233 20 30 EGEDRM Cc1cc(Cl)ccc1C1=CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC1 ZINC001605174035 972886165 /nfs/dbraw/zinc/88/61/65/972886165.db2.gz XTRSUJXSSMJWKF-SFHVURJKSA-N -1 0 346.814 3.269 20 30 EGEDRM N#Cc1cc(F)c(NC[C@H](CC(=O)[O-])C2CC2)cc1Br ZINC000690424076 976292825 /nfs/dbraw/zinc/29/28/25/976292825.db2.gz OKXOZTSDXXLNJX-JTQLQIEISA-N -1 0 341.180 3.373 20 30 EGEDRM Cc1cc(CN=Nc2ccc(C(=O)[O-])cn2)c(C)n1-c1nccs1 ZINC000763369142 978721446 /nfs/dbraw/zinc/72/14/46/978721446.db2.gz QJIFHRVXAXSPEY-UHFFFAOYSA-N -1 0 341.396 3.090 20 30 EGEDRM CC(=NNc1ccnc(Br)c1)c1ccc(C(=O)[O-])cc1 ZINC000769810253 978743080 /nfs/dbraw/zinc/74/30/80/978743080.db2.gz KGJXBWSMCCBPQW-UHFFFAOYSA-N -1 0 334.173 3.378 20 30 EGEDRM CCCCC[C@@H](C)CNC(=S)NN=C1CCC(C(=O)[O-])CC1 ZINC000814731166 978877728 /nfs/dbraw/zinc/87/77/28/978877728.db2.gz XYIYVWSXDCQRGA-PZORYLMUSA-N -1 0 327.494 3.298 20 30 EGEDRM CC(N=Nc1nc(-c2ccccc2)no1)c1cc(C(=O)[O-])cs1 ZINC000814829443 978889935 /nfs/dbraw/zinc/88/99/35/978889935.db2.gz UWPQTZUMWBWKKG-UHFFFAOYSA-N -1 0 328.353 3.332 20 30 EGEDRM CCOC(=O)c1ccc(N=NC2CC[C@H](CC(=O)[O-])[C@@H]2C)cc1C ZINC000814935283 978899390 /nfs/dbraw/zinc/89/93/90/978899390.db2.gz OEMGFIGCSJPELZ-QWHCGFSZSA-N -1 0 332.400 3.460 20 30 EGEDRM CC[C@@H](CNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)C(=O)[O-] ZINC001595163596 979699365 /nfs/dbraw/zinc/69/93/65/979699365.db2.gz ROWYJNHGTYLSMD-AWEZNQCLSA-N -1 0 338.363 3.191 20 30 EGEDRM C=CCC[C@@H](NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)c1ccccc1 ZINC000872740514 980134271 /nfs/dbraw/zinc/13/42/71/980134271.db2.gz XMDGDDGEQGOSOS-GVDBMIGSSA-N -1 0 331.412 3.080 20 30 EGEDRM CC(=NNc1ccc(CC(=O)[O-])cc1)c1ccnn1CC1CCC1 ZINC000901261056 980260746 /nfs/dbraw/zinc/26/07/46/980260746.db2.gz BQFAYHWFWHAXMS-UHFFFAOYSA-N -1 0 326.400 3.146 20 30 EGEDRM CCC[C@@](C)(NC(=O)c1cn(CCCC#N)c2ccccc12)C(=O)[O-] ZINC001595554446 981436688 /nfs/dbraw/zinc/43/66/88/981436688.db2.gz YGDDNXWMJHWUQR-LJQANCHMSA-N -1 0 341.411 3.318 20 30 EGEDRM CC[C@@](C)(C#N)C(=O)N1CCC(Cc2ccccc2C(=O)[O-])CC1 ZINC001594778275 981774916 /nfs/dbraw/zinc/77/49/16/981774916.db2.gz NBHVKUNIIKPDHE-IBGZPJMESA-N -1 0 328.412 3.106 20 30 EGEDRM CCCC[C@@H](ON=C(C)C)C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC001595650953 982015303 /nfs/dbraw/zinc/01/53/03/982015303.db2.gz ACKIDMYXLPYQDC-MRXNPFEDSA-N -1 0 332.400 3.198 20 30 EGEDRM CCCC[C@H](ON=C(C)C)C(=O)NC1(C(=O)[O-])CCCCCC1 ZINC001595652969 982037651 /nfs/dbraw/zinc/03/76/51/982037651.db2.gz ZDZMVVKVUKOGBE-AWEZNQCLSA-N -1 0 326.437 3.251 20 30 EGEDRM CCCC[C@@H](Sc1ncc(Br)cc1C#N)C(=O)[O-] ZINC001595657934 982067315 /nfs/dbraw/zinc/06/73/15/982067315.db2.gz VIZUDWSEYYNBPC-SNVBAGLBSA-N -1 0 329.219 3.451 20 30 EGEDRM CCCCC[C@H](NC(=O)N1CCC(C#N)(C(=O)[O-])CC1)C(C)(C)C ZINC001595673430 982141910 /nfs/dbraw/zinc/14/19/10/982141910.db2.gz XBDDBPSFGMIMPC-AWEZNQCLSA-N -1 0 337.464 3.381 20 30 EGEDRM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000911746292 982627819 /nfs/dbraw/zinc/62/78/19/982627819.db2.gz HGKYVSZUXRHPGT-SJORKVTESA-N -1 0 347.459 3.260 20 30 EGEDRM C[C@@H]1CCC[C@H](NC(=S)NN=Cc2ccc(C(=O)[O-])cc2)[C@@H]1C ZINC000916352077 982675592 /nfs/dbraw/zinc/67/55/92/982675592.db2.gz IMZQDDMQRCCRNC-JMSVASOKSA-N -1 0 333.457 3.008 20 30 EGEDRM CCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001595886006 982912714 /nfs/dbraw/zinc/91/27/14/982912714.db2.gz RWRPMBVWETXUOD-UHFFFAOYSA-N -1 0 326.352 3.210 20 30 EGEDRM CC[C@H](C)Oc1ccc(NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)cc1 ZINC001595008232 982928006 /nfs/dbraw/zinc/92/80/06/982928006.db2.gz LPHZYLICOQJGKI-ZDUSSCGKSA-N -1 0 345.399 3.086 20 30 EGEDRM CCCc1c(C(=O)N[C@@H](C)c2ccc(C#N)cc2)[nH]c(C)c1C(=O)[O-] ZINC001596036827 983315011 /nfs/dbraw/zinc/31/50/11/983315011.db2.gz QCDIUNZONDFFPT-NSHDSACASA-N -1 0 339.395 3.337 20 30 EGEDRM C#C[C@H](NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F)c1ccc(F)cc1 ZINC001588374403 983344148 /nfs/dbraw/zinc/34/41/48/983344148.db2.gz WTMUJSDFTAPPPY-AWEZNQCLSA-N -1 0 348.280 3.298 20 30 EGEDRM C#C[C@H]1CCCCN1Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC001588382399 983371138 /nfs/dbraw/zinc/37/11/38/983371138.db2.gz OLZAECDGSJBZHE-INIZCTEOSA-N -1 0 326.421 3.496 20 30 EGEDRM C#CCC(C)(C)C(=O)Nc1cc(C(=O)[O-])c(Br)cc1C ZINC001588384180 983387684 /nfs/dbraw/zinc/38/76/84/983387684.db2.gz YDFCIGUNHUILIB-UHFFFAOYSA-N -1 0 338.201 3.444 20 30 EGEDRM C#CC[C@H](Cc1ccccc1)NC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001588393444 983398247 /nfs/dbraw/zinc/39/82/47/983398247.db2.gz BSUYVYAYEIECIQ-OAHLLOKOSA-N -1 0 341.794 3.403 20 30 EGEDRM C#CC[C@@H]1CCCN(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)C1 ZINC001588434506 983470568 /nfs/dbraw/zinc/47/05/68/983470568.db2.gz LTBIRYXUDZJLSG-XOKHGSTOSA-N -1 0 326.396 3.142 20 30 EGEDRM C#CCN(Cc1ccccc1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC001588469323 983501190 /nfs/dbraw/zinc/50/11/90/983501190.db2.gz DXEWUHXVEWRXMM-UHFFFAOYSA-N -1 0 326.327 3.191 20 30 EGEDRM CCN(C(=O)[C@H]1CCCC[C@H]1C(=O)[O-])[C@@H](C)c1ccc(C#N)cc1 ZINC001596157100 983517577 /nfs/dbraw/zinc/51/75/77/983517577.db2.gz XMRAMEQDNHVPRP-RRQGHBQHSA-N -1 0 328.412 3.359 20 30 EGEDRM CCN(C(=O)c1cccc(SCC#N)c1)c1ncc(C(=O)[O-])s1 ZINC001596170652 983536031 /nfs/dbraw/zinc/53/60/31/983536031.db2.gz LBLCOPMBXNBTJM-UHFFFAOYSA-N -1 0 347.421 3.124 20 30 EGEDRM C#CCOc1ccccc1NC(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC001588504961 983549349 /nfs/dbraw/zinc/54/93/49/983549349.db2.gz PUZMJOPSAIBSKW-ZDUSSCGKSA-N -1 0 344.392 3.098 20 30 EGEDRM C=C(C)C[C@H](NC(=O)[C@@H](C)c1cccc(Br)c1)C(=O)[O-] ZINC001588537678 983601309 /nfs/dbraw/zinc/60/13/09/983601309.db2.gz VVQUHHSAAIRKOG-GWCFXTLKSA-N -1 0 340.217 3.088 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)c1ccc(Br)c(Cl)c1)C(=O)[O-] ZINC001588546576 983616180 /nfs/dbraw/zinc/61/61/80/983616180.db2.gz NOKMQUVDWIYPFB-LLVKDONJSA-N -1 0 346.608 3.252 20 30 EGEDRM C=C(C)C[C@H](NC(=O)c1ccc(Br)c(Cl)c1)C(=O)[O-] ZINC001588546578 983616233 /nfs/dbraw/zinc/61/62/33/983616233.db2.gz NOKMQUVDWIYPFB-NSHDSACASA-N -1 0 346.608 3.252 20 30 EGEDRM C=C(C)C[C@@H](Nc1ccc([N+](=O)[O-])cc1Br)C(=O)[O-] ZINC001588554577 983630939 /nfs/dbraw/zinc/63/09/39/983630939.db2.gz KAXTVBAWBUQUJR-LLVKDONJSA-N -1 0 329.150 3.189 20 30 EGEDRM C=C(C)Cn1c(C2CC2)nnc1N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001588591680 983673817 /nfs/dbraw/zinc/67/38/17/983673817.db2.gz LNSDNMQNPHSUPC-AWEZNQCLSA-N -1 0 332.448 3.059 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N[C@H](C)c1cc2cccc(OCC)c2o1 ZINC001588619286 983715914 /nfs/dbraw/zinc/71/59/14/983715914.db2.gz PVZDZUYRDXYDNC-GFCCVEGCSA-N -1 0 331.368 3.430 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)NC[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC001588622694 983724541 /nfs/dbraw/zinc/72/45/41/983724541.db2.gz CLLHJOJQJUBUQD-NSHDSACASA-N -1 0 329.318 3.346 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(-c2noc(C(F)F)n2)cc1 ZINC001588629627 983738675 /nfs/dbraw/zinc/73/86/75/983738675.db2.gz PANVNTORRCCVRK-UHFFFAOYSA-N -1 0 337.282 3.034 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)NCc1ccccc1OCc1ccccc1 ZINC001588630304 983742860 /nfs/dbraw/zinc/74/28/60/983742860.db2.gz WUEWOOOZYWABIZ-UHFFFAOYSA-N -1 0 339.391 3.303 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc2c(c1)nc1n2CCCCC1 ZINC001588634080 983752109 /nfs/dbraw/zinc/75/21/09/983752109.db2.gz QTTLECFNPDNVBF-UHFFFAOYSA-N -1 0 327.384 3.122 20 30 EGEDRM C=C(Cn1c(C(C)C)nnc1N1CC[C@H](C(=O)[O-])C1)c1ccccc1 ZINC001588643563 983766653 /nfs/dbraw/zinc/76/66/53/983766653.db2.gz LLSGKQSIUBPPOZ-INIZCTEOSA-N -1 0 340.427 3.026 20 30 EGEDRM C=C[C@@H](C(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F)c1ccccc1 ZINC001588663754 983796641 /nfs/dbraw/zinc/79/66/41/983796641.db2.gz KJGDORMVYDYLBD-CZUORRHYSA-N -1 0 331.318 3.177 20 30 EGEDRM C=C[C@](C)(CCOC)COC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001588683366 983848330 /nfs/dbraw/zinc/84/83/30/983848330.db2.gz YOXDHCACEARDPS-MRXNPFEDSA-N -1 0 326.776 3.424 20 30 EGEDRM C=C[C@@H](Sc1nnc(NCc2ccc(F)cc2)s1)C(=O)[O-] ZINC001588714163 983950223 /nfs/dbraw/zinc/95/02/23/983950223.db2.gz AGKZSACQLQMREW-SNVBAGLBSA-N -1 0 325.390 3.021 20 30 EGEDRM C=CC1(CC(=O)N2[C@@H]3C[C@H](C(=O)[O-])O[C@H]3CC[C@H]2C)CCCCC1 ZINC001588714335 983951254 /nfs/dbraw/zinc/95/12/54/983951254.db2.gz FVDLLXLBKBNXCN-LVQVYYBASA-N -1 0 335.444 3.135 20 30 EGEDRM C=C[C@H]1CCCCN1S(=O)(=O)c1sc(C(=O)[O-])c(Cl)c1C ZINC001588718492 983957042 /nfs/dbraw/zinc/95/70/42/983957042.db2.gz CEMPBYLGALYLRH-VIFPVBQESA-N -1 0 349.861 3.137 20 30 EGEDRM C=C[C@@H]1CCCCN1C(=O)Nc1sc2c(c1C(=O)[O-])CCOC2 ZINC001588718475 983957155 /nfs/dbraw/zinc/95/71/55/983957155.db2.gz CCGJYBYSUITDJZ-SNVBAGLBSA-N -1 0 336.413 3.091 20 30 EGEDRM C=CC[C@@H](Cc1ccccc1)NC(=O)NCc1cc(C(=O)[O-])c(C)o1 ZINC001588744407 984042031 /nfs/dbraw/zinc/04/20/31/984042031.db2.gz KLLHMWNJFLXUCV-HNNXBMFYSA-N -1 0 342.395 3.273 20 30 EGEDRM C=CC[C@@H](OC(=O)c1cc(Br)cn1C(C)C)C(=O)[O-] ZINC001588755574 984094490 /nfs/dbraw/zinc/09/44/90/984094490.db2.gz AOLYVKIRCHYFMS-LLVKDONJSA-N -1 0 330.178 3.018 20 30 EGEDRM C=CC[C@@H](Sc1ncnc2c1cnn2-c1ccc(F)cc1)C(=O)[O-] ZINC001588758694 984107481 /nfs/dbraw/zinc/10/74/81/984107481.db2.gz IAFIIIDDRPKOPM-CYBMUJFWSA-N -1 0 344.371 3.076 20 30 EGEDRM C=CC[C@H]1CCN(C(=O)NC[C@](CC)(C(=O)[O-])c2ccccc2)C1 ZINC001588772204 984141313 /nfs/dbraw/zinc/14/13/13/984141313.db2.gz AFIUDENRQKSSMQ-KXBFYZLASA-N -1 0 330.428 3.027 20 30 EGEDRM C=CCC[C@H](C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21)c1ccccc1 ZINC001588776750 984153168 /nfs/dbraw/zinc/15/31/68/984153168.db2.gz DQUDBJZLJVSSFK-SFFUCWETSA-N -1 0 327.424 3.352 20 30 EGEDRM C=CCC[C@H]1CCCN1C(=O)NCc1ccc(OC)c(C(=O)[O-])c1 ZINC001588782026 984169878 /nfs/dbraw/zinc/16/98/78/984169878.db2.gz NELBIWILMKYWIW-AWEZNQCLSA-N -1 0 332.400 3.034 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1ccn(C)c1-c1ccccc1)C(=O)[O-] ZINC001588792681 984211824 /nfs/dbraw/zinc/21/18/24/984211824.db2.gz CHFOUYOCMSJYNM-MRXNPFEDSA-N -1 0 326.396 3.231 20 30 EGEDRM C=CCCC[C@@H](NS(=O)(=O)c1ccc2cc(C)ccc2c1)C(=O)[O-] ZINC001588798975 984239953 /nfs/dbraw/zinc/23/99/53/984239953.db2.gz WVLGMCSVIRPUQM-QGZVFWFLSA-N -1 0 347.436 3.236 20 30 EGEDRM C=CCCn1cc(C(=O)Nc2sc(C(C)(C)C)cc2C(=O)[O-])nn1 ZINC001588817562 984276467 /nfs/dbraw/zinc/27/64/67/984276467.db2.gz MKDQRNZRWQEQTR-UHFFFAOYSA-N -1 0 348.428 3.164 20 30 EGEDRM C=CCN(CC=C)C(=O)c1ccc(NCc2ccoc2C(=O)[O-])cc1 ZINC001588826564 984304236 /nfs/dbraw/zinc/30/42/36/984304236.db2.gz KOUDVHGLLXWLRC-UHFFFAOYSA-N -1 0 340.379 3.404 20 30 EGEDRM C=CCNC(=O)Nc1ccc(NCc2cc(C(=O)[O-])c(CC)o2)cc1 ZINC001588844412 984357446 /nfs/dbraw/zinc/35/74/46/984357446.db2.gz XZWPYQKFCORELB-UHFFFAOYSA-N -1 0 343.383 3.460 20 30 EGEDRM C=CCOc1ccc(OC(=O)[C@]2(C(=O)[O-])C[C@H]2c2ccccc2)cc1 ZINC001588872859 984442656 /nfs/dbraw/zinc/44/26/56/984442656.db2.gz ODSPNPYXVJYLRY-FXAWDEMLSA-N -1 0 338.359 3.415 20 30 EGEDRM C=CCOc1cccnc1C(=O)Nc1ccc(F)c(C(=O)[O-])c1C ZINC001588878627 984455035 /nfs/dbraw/zinc/45/50/35/984455035.db2.gz GIVJHRWRRZLASX-UHFFFAOYSA-N -1 0 330.315 3.044 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)Cc1ccc(F)cc1 ZINC001588885055 984465060 /nfs/dbraw/zinc/46/50/60/984465060.db2.gz KEIXRZFOHWVLQR-UHFFFAOYSA-N -1 0 344.338 3.409 20 30 EGEDRM C=CCc1cc(C(=O)Oc2ccc(C(=O)[O-])cc2)cc(OC)c1OC ZINC001588885642 984468805 /nfs/dbraw/zinc/46/88/05/984468805.db2.gz QFAQBBASSODEJS-UHFFFAOYSA-N -1 0 342.347 3.350 20 30 EGEDRM C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001588914023 984556721 /nfs/dbraw/zinc/55/67/21/984556721.db2.gz OKPBGMLNJLEHBI-NEPJUHHUSA-N -1 0 342.754 3.032 20 30 EGEDRM Cc1[nH]c(C#N)cc1C(=O)Nc1cccc2cc(C(=O)[O-])sc21 ZINC001599942684 985475170 /nfs/dbraw/zinc/47/51/70/985475170.db2.gz RJDRKQQMHCNSBT-UHFFFAOYSA-N -1 0 325.349 3.360 20 30 EGEDRM Cc1[nH]c(C(=O)[C@H](C)SCc2ccc(C#N)o2)c(C)c1C(=O)[O-] ZINC001599948311 985565555 /nfs/dbraw/zinc/56/55/55/985565555.db2.gz MLLJFZCKMHTCTK-JTQLQIEISA-N -1 0 332.381 3.299 20 30 EGEDRM Cc1c(C(=O)/C=C/c2ccc(/C=C\C(=O)[O-])o2)c(C#N)c2n1CCC2 ZINC001599974784 986072271 /nfs/dbraw/zinc/07/22/71/986072271.db2.gz IRYLPKKCJSXNPY-FFELTBSMSA-N -1 0 336.347 3.201 20 30 EGEDRM C[C@H](C#N)CN(Cc1cc(Br)ccc1C(=O)[O-])C1CC1 ZINC001589330414 986172073 /nfs/dbraw/zinc/17/20/73/986172073.db2.gz DKYMUKMGUXBOAH-SNVBAGLBSA-N -1 0 337.217 3.271 20 30 EGEDRM C[C@H](C#N)CSc1ccccc1NC(=O)c1cc(C(=O)[O-])ccn1 ZINC001589331496 986186688 /nfs/dbraw/zinc/18/66/88/986186688.db2.gz GJTIPLMINNOQAM-LLVKDONJSA-N -1 0 341.392 3.284 20 30 EGEDRM CCOc1ccc(C#N)cc1NCc1cc(C(=O)[O-])c2n1CCCC2 ZINC001597055874 986536322 /nfs/dbraw/zinc/53/63/22/986536322.db2.gz MIXAWRHCKRHMPU-UHFFFAOYSA-N -1 0 339.395 3.405 20 30 EGEDRM CCOc1cccc(/C=N\[C@H](CC(=O)[O-])Cc2ccccc2)c1O ZINC001597149768 986921771 /nfs/dbraw/zinc/92/17/71/986921771.db2.gz KOKUMFHAHMAFHO-SMEDBKPVSA-N -1 0 327.380 3.296 20 30 EGEDRM CC[C@@H](C#N)C(=O)N(C)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001594722083 987208731 /nfs/dbraw/zinc/20/87/31/987208731.db2.gz ICOLDQOJBBDQCU-UFBFGSQYSA-N -1 0 329.183 3.127 20 30 EGEDRM CC[C@H](C#N)Oc1cccc(CNc2ccc(C(=O)[O-])c(OC)n2)c1 ZINC001594724689 987221693 /nfs/dbraw/zinc/22/16/93/987221693.db2.gz AYIWZFDTPPRCMF-CYBMUJFWSA-N -1 0 341.367 3.081 20 30 EGEDRM CC(C)(C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1)c1ccc(C#N)cc1 ZINC001589563131 987323526 /nfs/dbraw/zinc/32/35/26/987323526.db2.gz YSDSGBJHJLXFTD-INIZCTEOSA-N -1 0 342.439 3.185 20 30 EGEDRM CC(C)(C(=O)[O-])[C@H](NC(=O)c1ccc(C#N)cc1F)c1ccccc1 ZINC001589599432 987422883 /nfs/dbraw/zinc/42/28/83/987422883.db2.gz WUQBDRBXJNCAJA-MRXNPFEDSA-N -1 0 340.354 3.279 20 30 EGEDRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)[C@@H](CC#N)c2ccccc2)C1 ZINC001589603699 987443699 /nfs/dbraw/zinc/44/36/99/987443699.db2.gz UGPVALVKNHVXHD-CVEARBPZSA-N -1 0 328.412 3.033 20 30 EGEDRM CCc1ccc(C#CC(=O)Nc2ccc(OCC(=O)[O-])cc2C)cc1 ZINC001597494839 988038551 /nfs/dbraw/zinc/03/85/51/988038551.db2.gz IUVZVMGGMONAHH-UHFFFAOYSA-N -1 0 337.375 3.011 20 30 EGEDRM CC(C)(C)c1ccc(C#N)c(N(CCC(=O)[O-])Cc2ccncc2)n1 ZINC001590471945 990042818 /nfs/dbraw/zinc/04/28/18/990042818.db2.gz GBJQRLMQHKFZIF-UHFFFAOYSA-N -1 0 338.411 3.127 20 30 EGEDRM CC(C)(C)c1ccc(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)cc1Cl ZINC001590472202 990043483 /nfs/dbraw/zinc/04/34/83/990043483.db2.gz LSBULPQGVJECAL-UHFFFAOYSA-N -1 0 348.830 3.468 20 30 EGEDRM CN(CC(=O)c1c[nH]c2ccc(C(=O)[O-])cc12)Cc1cccc(C#N)c1 ZINC001598419463 991753294 /nfs/dbraw/zinc/75/32/94/991753294.db2.gz HYATUEFKGJOOGY-UHFFFAOYSA-N -1 0 347.374 3.052 20 30 EGEDRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1c[nH]c2cccc(C#N)c12 ZINC001598511952 992574248 /nfs/dbraw/zinc/57/42/48/992574248.db2.gz GMIOSQQTUNRRFL-UHFFFAOYSA-N -1 0 333.347 3.010 20 30 EGEDRM CN(Cc1cccc(C(F)(F)F)c1)c1ccc(C(=O)[O-])nc1C#N ZINC001598527166 992734476 /nfs/dbraw/zinc/73/44/76/992734476.db2.gz JMYFOJUADNDXJQ-UHFFFAOYSA-N -1 0 335.285 3.307 20 30 EGEDRM CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001591596859 992825082 /nfs/dbraw/zinc/82/50/82/992825082.db2.gz RINHGCGXZPNXFT-UHFFFAOYSA-N -1 0 340.354 3.446 20 30 EGEDRM C[C@@H](NC(=O)NCCCCC1(C(=O)[O-])CCC1)c1ccc(C#N)cc1 ZINC001593089396 993706959 /nfs/dbraw/zinc/70/69/59/993706959.db2.gz VMBDNQMEIXFQFL-CQSZACIVSA-N -1 0 343.427 3.344 20 30 EGEDRM C[C@@](NC(=O)c1cc(C#N)ccc1Cl)(C(=O)[O-])c1ccc(F)cc1 ZINC001593146882 993947522 /nfs/dbraw/zinc/94/75/22/993947522.db2.gz SZYVSYOMQDWHKH-KRWDZBQOSA-N -1 0 346.745 3.081 20 30 EGEDRM C[C@H](Nc1ncc(C#N)cc1Cl)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593373351 995065353 /nfs/dbraw/zinc/06/53/53/995065353.db2.gz BNPPAKGWCQDXDY-FZMZJTMJSA-N -1 0 329.787 3.351 20 30 EGEDRM CC(C)(C(=O)[O-])[C@H](NC(=O)N1CCC[C@@](C)(C#N)C1)c1ccccc1 ZINC001593739935 996354684 /nfs/dbraw/zinc/35/46/84/996354684.db2.gz MSYZHNHUUIKNIC-BEFAXECRSA-N -1 0 343.427 3.174 20 30 EGEDRM CC1(C)C[C@H](n2nc(C(=O)[O-])cc2-c2ccc(C#N)cc2)CCO1 ZINC001593864329 996665683 /nfs/dbraw/zinc/66/56/83/996665683.db2.gz SEZVKJAXERUFEW-CQSZACIVSA-N -1 0 325.368 3.250 20 30 EGEDRM CC1(C)CN(Cc2cccc(C(=O)[O-])c2C#N)Cc2ccccc2O1 ZINC001593942975 996978433 /nfs/dbraw/zinc/97/84/33/996978433.db2.gz XVOVKDAWJDPJGW-UHFFFAOYSA-N -1 0 336.391 3.430 20 30 EGEDRM COc1ccc([C@@H](CC(=O)[O-])/N=C\c2ccccc2O)c(OC)c1 ZINC001599508273 997250691 /nfs/dbraw/zinc/25/06/91/997250691.db2.gz NNNXHTWSOVZTQQ-MXDDHBLUSA-N -1 0 329.352 3.044 20 30 EGEDRM COc1ccc([C@H](NCC#Cc2ccccc2Cl)C(=O)[O-])cc1 ZINC001599526561 997570619 /nfs/dbraw/zinc/57/06/19/997570619.db2.gz IXKQLVRJNCYPRY-KRWDZBQOSA-N -1 0 329.783 3.116 20 30 EGEDRM C[C@]1(NC(=O)c2cccc(SCC#N)c2)CCCC[C@@H]1C(=O)[O-] ZINC001594055457 997783524 /nfs/dbraw/zinc/78/35/24/997783524.db2.gz CCQBNBGFGLCGBT-PBHICJAKSA-N -1 0 332.425 3.066 20 30 EGEDRM COc1ccc(C=NNc2ccc(C(=O)[O-])c(Cl)c2)cc1C#N ZINC001599544815 997905979 /nfs/dbraw/zinc/90/59/79/997905979.db2.gz ZWWAKFLFWFSAMO-UHFFFAOYSA-N -1 0 329.743 3.364 20 30 EGEDRM COC(=O)c1cc(OCc2ccc(C#N)cc2Cl)cc(C(=O)[O-])c1 ZINC001598951338 998158561 /nfs/dbraw/zinc/15/85/61/998158561.db2.gz FNBSPVIHERTVAZ-UHFFFAOYSA-N -1 0 345.738 3.275 20 30 EGEDRM COCCOc1ccccc1/C=C/C(=O)c1cc(C(=O)[O-])cs1 ZINC001599260640 998378847 /nfs/dbraw/zinc/37/88/47/998378847.db2.gz STUIVCHYHLVRGP-VOTSOKGWSA-N -1 0 332.377 3.368 20 30 EGEDRM COc1ccc(C#N)cc1NC(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC001599476648 998543999 /nfs/dbraw/zinc/54/39/99/998543999.db2.gz IBXLUWUVIKRWHL-NSHDSACASA-N -1 0 339.351 3.399 20 30 EGEDRM COC(=O)c1ccc(C=NNc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC001598972587 998544646 /nfs/dbraw/zinc/54/46/46/998544646.db2.gz DZZSGWFPZKBJTI-UHFFFAOYSA-N -1 0 332.743 3.271 20 30 EGEDRM CC(C)n1cc(C#N)c(=NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)[n-]1 ZINC000369322818 168430631 /nfs/dbraw/zinc/43/06/31/168430631.db2.gz TWSXOLDUPTYHBW-GHMZBOCLSA-N -1 0 334.832 3.215 20 30 EGEDRM CCCCOc1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc1 ZINC000003581917 210058237 /nfs/dbraw/zinc/05/82/37/210058237.db2.gz WQEGPJQOWCVLJN-HKMNZKMDSA-N -1 0 328.364 3.094 20 30 EGEDRM N#Cc1nc(NC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)[n-]c1C#N ZINC000069376615 215393715 /nfs/dbraw/zinc/39/37/15/215393715.db2.gz XPSOZNIEWCPYKL-RKDXNWHRSA-N -1 0 346.177 3.202 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2F)cc1F ZINC000357480340 241864430 /nfs/dbraw/zinc/86/44/30/241864430.db2.gz YLZAQGNZVDHUCB-UHFFFAOYSA-N -1 0 328.727 3.291 20 30 EGEDRM N#Cc1cccnc1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000186703062 144141922 /nfs/dbraw/zinc/14/19/22/144141922.db2.gz ZPCYHHRWVMOPCS-UHFFFAOYSA-N -1 0 328.180 3.061 20 30 EGEDRM N#Cc1cc([N-]S(=O)(=O)c2ccccc2F)nc2ccccc12 ZINC000351229920 144260782 /nfs/dbraw/zinc/26/07/82/144260782.db2.gz ZLYICQKQTDHEBV-UHFFFAOYSA-N -1 0 327.340 3.046 20 30 EGEDRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2nn(C(C)C)cc2C#N)c1 ZINC000120436861 152275735 /nfs/dbraw/zinc/27/57/35/152275735.db2.gz LQOWJZKRKIJDEA-UHFFFAOYSA-N -1 0 338.820 3.098 20 30 EGEDRM C[C@@](CC(=O)Nc1ccc(C#N)c(F)c1)(C(=O)[O-])c1ccccc1 ZINC000307915861 154136778 /nfs/dbraw/zinc/13/67/78/154136778.db2.gz KJYWKBSEJXLJCR-SFHVURJKSA-N -1 0 326.327 3.068 20 30 EGEDRM N#Cc1ccc(CSCC(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000096582323 162042793 /nfs/dbraw/zinc/04/27/93/162042793.db2.gz MZFUGTQJROYMKE-UHFFFAOYSA-N -1 0 326.377 3.128 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)NCC[C@H](C)c2ccccc2)cc1C#N ZINC000337145308 163143282 /nfs/dbraw/zinc/14/32/82/163143282.db2.gz PFIRWCXGZOOKAQ-LBPRGKRZSA-N -1 0 341.436 3.304 20 30 EGEDRM CC(C)n1cc(C#N)c([N-]S(=O)(=O)c2ccc(C(F)F)cc2)n1 ZINC000340950539 163700847 /nfs/dbraw/zinc/70/08/47/163700847.db2.gz JEVJFQQVMZUTDN-UHFFFAOYSA-N -1 0 340.355 3.074 20 30 EGEDRM COc1ccc2cc([C@@H](C)C(=O)Nc3nc(C#N)c(C#N)[n-]3)ccc2c1 ZINC000355041252 166091896 /nfs/dbraw/zinc/09/18/96/166091896.db2.gz JECQLKFPCWAYGT-LLVKDONJSA-N -1 0 345.362 3.057 20 30 EGEDRM C[C@H](Sc1ccc(Cl)cc1)C(=O)N=c1[nH][n-]c(C2CC2)c1C#N ZINC000359720596 167214168 /nfs/dbraw/zinc/21/41/68/167214168.db2.gz VZZGMHOYOHPMIN-VIFPVBQESA-N -1 0 346.843 3.353 20 30 EGEDRM Cc1[n-][nH]c(=NC(=O)c2csc(-c3ccccc3Cl)n2)c1C#N ZINC000431689806 270050042 /nfs/dbraw/zinc/05/00/42/270050042.db2.gz CQZYMXCFTSTBDG-UHFFFAOYSA-N -1 0 343.799 3.041 20 30 EGEDRM N#Cc1cccnc1[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000191105645 265888047 /nfs/dbraw/zinc/88/80/47/265888047.db2.gz VGLMJVYYKXFWTE-UHFFFAOYSA-N -1 0 335.388 3.421 20 30 EGEDRM CCNc1ccc(C#N)cc1NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000354101824 266173085 /nfs/dbraw/zinc/17/30/85/266173085.db2.gz WPZMFAASLMEKKS-UHFFFAOYSA-N -1 0 335.285 3.365 20 30 EGEDRM C=CCN(Cc1cccc(C#N)c1)C(=O)NCC(CC)(CC)C(=O)[O-] ZINC000424411107 266818906 /nfs/dbraw/zinc/81/89/06/266818906.db2.gz KBVKCBXCVPVFCP-UHFFFAOYSA-N -1 0 343.427 3.147 20 30 EGEDRM CC(=O)c1ccc([O-])c(NC(=O)CSc2ccc(C#N)cc2)c1 ZINC000436877378 266846661 /nfs/dbraw/zinc/84/66/61/266846661.db2.gz OSUAMHOFZUCYLO-UHFFFAOYSA-N -1 0 326.377 3.197 20 30 EGEDRM CCCOc1cc(C)ccc1[N-]S(=O)(=O)c1ccccc1C#N ZINC000511151910 267027973 /nfs/dbraw/zinc/02/79/73/267027973.db2.gz XPVDAISSCIGKET-UHFFFAOYSA-N -1 0 330.409 3.456 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2nnc(CC3CCCCC3)s2)cc1[O-] ZINC000188271632 268048989 /nfs/dbraw/zinc/04/89/89/268048989.db2.gz ZNHLSLRUENWDSQ-UHFFFAOYSA-N -1 0 342.424 3.490 20 30 EGEDRM Cc1cccc(S(=O)(=O)[N-]c2cc3[nH]ccc3cc2C)c1C#N ZINC000436169597 268056415 /nfs/dbraw/zinc/05/64/15/268056415.db2.gz HHHVLTQTIFLYHE-UHFFFAOYSA-N -1 0 325.393 3.457 20 30 EGEDRM N#Cc1ccc(CNC(=O)CC2(CC(=O)[O-])CCCCC2)cc1F ZINC000404272251 268066855 /nfs/dbraw/zinc/06/68/55/268066855.db2.gz PZXIIUIBXJORJY-UHFFFAOYSA-N -1 0 332.375 3.129 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ncc(C3CCCCC3)s2)o1 ZINC000288672984 268209177 /nfs/dbraw/zinc/20/91/77/268209177.db2.gz WFUBQQCYJBZMEG-UHFFFAOYSA-N -1 0 337.426 3.456 20 30 EGEDRM Cc1cc(F)cc2c1ncc(C#N)c2N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263086071 301307134 /nfs/dbraw/zinc/30/71/34/301307134.db2.gz BSPFEQJTZKCWMO-PWSUYJOCSA-N -1 0 327.359 3.101 20 30 EGEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000057125726 307346049 /nfs/dbraw/zinc/34/60/49/307346049.db2.gz ZUJHEVZZUJIGEC-UHFFFAOYSA-N -1 0 342.829 3.473 20 30 EGEDRM Cc1ccc(F)c([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)c1 ZINC000128065166 307594578 /nfs/dbraw/zinc/59/45/78/307594578.db2.gz XMTJXHMGZRGHTL-UHFFFAOYSA-N -1 0 326.299 3.085 20 30 EGEDRM CCOc1ccc([N-]S(=O)(=O)c2cccc(C)c2C#N)cc1OC ZINC000137214379 307716481 /nfs/dbraw/zinc/71/64/81/307716481.db2.gz XZQXWUMADAZMAY-UHFFFAOYSA-N -1 0 346.408 3.075 20 30 EGEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cc(-c2ccccc2)on1 ZINC000154017216 307786308 /nfs/dbraw/zinc/78/63/08/307786308.db2.gz IIKKQKNPZQWPDN-UHFFFAOYSA-N -1 0 339.376 3.323 20 30 EGEDRM CC(C)c1cccc(S(=O)(=O)[N-]c2nn(C(C)C)cc2C#N)c1 ZINC000164018871 307925761 /nfs/dbraw/zinc/92/57/61/307925761.db2.gz SKFOQUSYRNRLBB-UHFFFAOYSA-N -1 0 332.429 3.260 20 30 EGEDRM N#Cc1cc(Br)ccc1N1CCC(CCC(=O)[O-])CC1 ZINC000229156167 456125622 /nfs/dbraw/zinc/12/56/22/456125622.db2.gz WHNPOFJDKKUHIQ-UHFFFAOYSA-N -1 0 337.217 3.402 20 30 EGEDRM COc1ccc(C(=O)/C=C/c2ccccc2[N+](=O)[O-])cc1CC(=O)[O-] ZINC000013066824 453442434 /nfs/dbraw/zinc/44/24/34/453442434.db2.gz FNTMMSQFRLRIPT-SOFGYWHQSA-N -1 0 341.319 3.127 20 30 EGEDRM CSc1ncc(Cl)c(C([O-])=C(C#N)c2nc3ccccc3[nH]2)n1 ZINC000013107510 453445173 /nfs/dbraw/zinc/44/51/73/453445173.db2.gz QVVSFZFOTROFBW-MRVPVSSYSA-N -1 0 343.799 3.218 20 30 EGEDRM CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000026547642 453802730 /nfs/dbraw/zinc/80/27/30/453802730.db2.gz GHLJIWIYAATDIT-UHFFFAOYSA-N -1 0 345.380 3.197 20 30 EGEDRM Cn1cc(-c2nc(C([O-])=C(C#N)c3nc4ccccc4o3)cs2)cn1 ZINC000066516657 453849660 /nfs/dbraw/zinc/84/96/60/453849660.db2.gz XKECMPFCWSCLJE-NSHDSACASA-N -1 0 349.375 3.175 20 30 EGEDRM O=C([N-]c1n[nH]c(-c2ccccn2)n1)c1cc(-c2ccccc2)no1 ZINC000053527287 453884546 /nfs/dbraw/zinc/88/45/46/453884546.db2.gz UDUQJGUELLYBCY-UHFFFAOYSA-N -1 0 332.323 3.158 20 30 EGEDRM N#Cc1cccc([N-]S(=O)(=O)c2sccc2Br)c1 ZINC000042350501 454007382 /nfs/dbraw/zinc/00/73/82/454007382.db2.gz MJHCQJLBOXRCFV-UHFFFAOYSA-N -1 0 343.227 3.183 20 30 EGEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(-c2ccccc2)on1 ZINC000085235205 454020076 /nfs/dbraw/zinc/02/00/76/454020076.db2.gz SPTJDEGUBXHSHB-UHFFFAOYSA-N -1 0 339.376 3.323 20 30 EGEDRM COCCOc1ccc(C(=O)[C@H](C#N)c2cnc3ccccc3n2)cc1 ZINC000190889377 455398222 /nfs/dbraw/zinc/39/82/22/455398222.db2.gz DDFYPHNDMOENEM-MRXNPFEDSA-N -1 0 347.374 3.145 20 30 EGEDRM Cc1nscc1C([O-])=C(C#N)c1nc(-c2ccncc2)cs1 ZINC000184556837 455401601 /nfs/dbraw/zinc/40/16/01/455401601.db2.gz JDMMLQLBJVRFHH-LLVKDONJSA-N -1 0 326.406 3.460 20 30 EGEDRM O=C(C[C@@H]1CCCCO1)[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000088800724 454121458 /nfs/dbraw/zinc/12/14/58/454121458.db2.gz NZJPZESLWPKJKB-HNNXBMFYSA-N -1 0 337.441 3.170 20 30 EGEDRM O=C([N-]S(=O)(=O)c1cc(Cl)sc1Cl)C1CCOCC1 ZINC000069641633 454127511 /nfs/dbraw/zinc/12/75/11/454127511.db2.gz QATQUEYKZCZWNX-UHFFFAOYSA-N -1 0 344.241 3.127 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2ncccc2OCCCC#N)ccc1F ZINC000069677639 454132427 /nfs/dbraw/zinc/13/24/27/454132427.db2.gz DZNNHBIKSRFUIP-UHFFFAOYSA-N -1 0 349.387 3.013 20 30 EGEDRM Cc1ccc(-c2ncc(C(=O)Nc3nc(C#N)c(C#N)[n-]3)s2)c(C)c1 ZINC000058229872 454173789 /nfs/dbraw/zinc/17/37/89/454173789.db2.gz XFCXIAPQMDSAOE-UHFFFAOYSA-N -1 0 348.391 3.146 20 30 EGEDRM N#CCC[C@@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccccc1 ZINC000119326765 454186753 /nfs/dbraw/zinc/18/67/53/454186753.db2.gz IFSJUVYZWFLLAR-CQSZACIVSA-N -1 0 325.324 3.075 20 30 EGEDRM CCC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000071850164 454231263 /nfs/dbraw/zinc/23/12/63/454231263.db2.gz NTOGGFHQJPHTSG-GFCCVEGCSA-N -1 0 341.429 3.319 20 30 EGEDRM CCSCc1ccnc([N-]S(=O)(=O)c2ccc(C#N)cc2C)c1 ZINC000090367823 454297894 /nfs/dbraw/zinc/29/78/94/454297894.db2.gz IXJSYPBYPYKCHR-UHFFFAOYSA-N -1 0 347.465 3.316 20 30 EGEDRM CC(C)Oc1ccc(S(=O)(=O)[N-]C(=O)C=Cc2cccnc2)cc1 ZINC000091127338 454387596 /nfs/dbraw/zinc/38/75/96/454387596.db2.gz JXLWDSJXRDTBGR-BJMVGYQFSA-N -1 0 346.408 3.227 20 30 EGEDRM CN(CC(=O)[N-]S(=O)(=O)c1ccccc1Cl)c1ccccc1 ZINC000091437713 454435511 /nfs/dbraw/zinc/43/55/11/454435511.db2.gz VDFYIGKECOBUPN-UHFFFAOYSA-N -1 0 338.816 3.122 20 30 EGEDRM Cc1ncsc1C([O-])=C(C#N)c1nc(-c2ccncc2)cs1 ZINC000121511070 454445061 /nfs/dbraw/zinc/44/50/61/454445061.db2.gz LVSLWJXYXUHIMS-LLVKDONJSA-N -1 0 326.406 3.460 20 30 EGEDRM O=C([N-]S(=O)(=O)c1cccnc1)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000048532888 454496625 /nfs/dbraw/zinc/49/66/25/454496625.db2.gz DABCLOCRHBERGP-ZJUUUORDSA-N -1 0 336.335 3.096 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2c[nH]c3cc([N+](=O)[O-])ccc32)n1 ZINC000048787548 454516258 /nfs/dbraw/zinc/51/62/58/454516258.db2.gz JIHVVUKXMRFVNJ-NSHDSACASA-N -1 0 326.337 3.331 20 30 EGEDRM N#CC(=C([O-])c1noc2c1CCCC2)c1ccc(C(F)(F)F)cn1 ZINC000048848403 454519141 /nfs/dbraw/zinc/51/91/41/454519141.db2.gz YELFFDYEORNZSB-LLVKDONJSA-N -1 0 335.285 3.457 20 30 EGEDRM CC(C)S(=O)(=O)[N-]C(=O)C=Cc1ccc(Br)cc1 ZINC000049417828 454548159 /nfs/dbraw/zinc/54/81/59/454548159.db2.gz XFFMNWDQGRBIJX-VMPITWQZSA-N -1 0 332.219 3.157 20 30 EGEDRM CC(C)CCN(CCC#N)C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000176321696 454728748 /nfs/dbraw/zinc/72/87/48/454728748.db2.gz MHQJPNRRSKPSKX-UHFFFAOYSA-N -1 0 344.390 3.119 20 30 EGEDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(F)cc2C#N)c1C ZINC000124581922 454750481 /nfs/dbraw/zinc/75/04/81/454750481.db2.gz MKDSJDPHARZIRG-UHFFFAOYSA-N -1 0 349.343 3.023 20 30 EGEDRM CC(C)(C)c1[n-]n(Cc2ccc(C#N)cc2F)c(=O)c1CCC#N ZINC000153528648 454803296 /nfs/dbraw/zinc/80/32/96/454803296.db2.gz DDVIZEVJUDQIOT-UHFFFAOYSA-N -1 0 326.375 3.401 20 30 EGEDRM Cc1nc(NC(=O)c2cc(F)c([O-])c(F)c2)sc1SCC#N ZINC000177073716 454819973 /nfs/dbraw/zinc/81/99/73/454819973.db2.gz QUABREIJPKDSLC-UHFFFAOYSA-N -1 0 341.364 3.303 20 30 EGEDRM COC(=O)c1[nH]c(C)c(C([O-])=C(C#N)c2nc3ccccc3o2)c1C ZINC000178318201 454948441 /nfs/dbraw/zinc/94/84/41/454948441.db2.gz PTWLSMNLUSDZGV-NSHDSACASA-N -1 0 337.335 3.049 20 30 EGEDRM C=CCC[C@H](NC(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1)c1ccccc1 ZINC000626757548 460659322 /nfs/dbraw/zinc/65/93/22/460659322.db2.gz XLUJMUMBJOFTSC-PVAVHDDUSA-N -1 0 330.428 3.446 20 30 EGEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000181918682 455399130 /nfs/dbraw/zinc/39/91/30/455399130.db2.gz SRMQHQGCBQLMMM-UHFFFAOYSA-N -1 0 341.323 3.212 20 30 EGEDRM Cc1ccc([N+](=O)[O-])cc1C([O-])=C(C#N)c1cnc2ccccc2n1 ZINC000190951728 455413218 /nfs/dbraw/zinc/41/32/18/455413218.db2.gz GVUOEGGUYUCPOC-AWEZNQCLSA-N -1 0 332.319 3.337 20 30 EGEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(C(F)(F)F)cn1 ZINC000182746801 455580290 /nfs/dbraw/zinc/58/02/90/455580290.db2.gz VHMSSVYTQADHNM-UHFFFAOYSA-N -1 0 341.314 3.081 20 30 EGEDRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N(C)[C@@H](C)CC#N)n2)c1 ZINC000268149322 455602543 /nfs/dbraw/zinc/60/25/43/455602543.db2.gz FXONLWUCRWYUKA-ZDUSSCGKSA-N -1 0 326.400 3.075 20 30 EGEDRM Cc1ccc(-c2cc(C([O-])=C(C#N)c3nc4ccccc4[nH]3)n[nH]2)o1 ZINC000194088997 455801295 /nfs/dbraw/zinc/80/12/95/455801295.db2.gz SAUFQDMLDSKLII-NSHDSACASA-N -1 0 331.335 3.345 20 30 EGEDRM CCOc1ccccc1N=c1[n-]nc(S[C@@H](C#N)C2CC2)s1 ZINC000601070343 460698127 /nfs/dbraw/zinc/69/81/27/460698127.db2.gz QBRLSUFEWJMTHR-ZDUSSCGKSA-N -1 0 332.454 3.497 20 30 EGEDRM CCC(=O)c1ccc(Cl)c(S(=O)(=O)N[C@H](C#N)C(C)(C)C)c1 ZINC000280255627 455928908 /nfs/dbraw/zinc/92/89/08/455928908.db2.gz JHZRBXWECOQTBX-CQSZACIVSA-N -1 0 342.848 3.149 20 30 EGEDRM N#Cc1nc(NC(=O)CCCCCc2ccc(F)cc2)[n-]c1C#N ZINC000188200367 456020118 /nfs/dbraw/zinc/02/01/18/456020118.db2.gz JSYODALKSJLMCG-UHFFFAOYSA-N -1 0 325.347 3.034 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2cccc(C(=O)N3CCCCC3)c2)cc1[O-] ZINC000188339765 456046727 /nfs/dbraw/zinc/04/67/27/456046727.db2.gz FEAFQBKZUAURJD-UHFFFAOYSA-N -1 0 349.390 3.142 20 30 EGEDRM C=CCC[C@@H](NC(=O)[C@H](C)CSc1ccc(F)cc1)C(=O)[O-] ZINC000262844016 456062319 /nfs/dbraw/zinc/06/23/19/456062319.db2.gz HEQUETGRICKPST-BXUZGUMPSA-N -1 0 325.405 3.090 20 30 EGEDRM C=CCC[C@@H](NC(=O)CCc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000262849325 456062913 /nfs/dbraw/zinc/06/29/13/456062913.db2.gz HQNNSUVDGPOTRX-CYBMUJFWSA-N -1 0 330.211 3.462 20 30 EGEDRM COc1ccc(Br)c(NC(=O)c2ccc(C#N)c([O-])c2)c1 ZINC000188466624 456068207 /nfs/dbraw/zinc/06/82/07/456068207.db2.gz RXHMPGZBUVGQSC-UHFFFAOYSA-N -1 0 347.168 3.287 20 30 EGEDRM C=CCC[C@@H](NC(=O)c1sc(-c2cccs2)nc1C)C(=O)[O-] ZINC000262925905 456068971 /nfs/dbraw/zinc/06/89/71/456068971.db2.gz OLVFTYFYHZEMLC-SNVBAGLBSA-N -1 0 336.438 3.329 20 30 EGEDRM C=CC[C@@H]1N(CC2=Nc3ccccc3S(=O)(=O)[N-]2)CCCC1(C)C ZINC000332533727 456088301 /nfs/dbraw/zinc/08/83/01/456088301.db2.gz WWVDPODMZQGROG-INIZCTEOSA-N -1 0 347.484 3.075 20 30 EGEDRM Cc1cc2cccnc2c(S(=O)(=O)[N-]c2ccc(F)cc2C#N)c1 ZINC000612735292 460714823 /nfs/dbraw/zinc/71/48/23/460714823.db2.gz RDMGJZZKUAYZNA-UHFFFAOYSA-N -1 0 341.367 3.355 20 30 EGEDRM Cc1c(C(=O)/C=C/c2ccc(OCC(=O)[O-])cc2)cnn1C(C)(C)C ZINC000188875066 456157189 /nfs/dbraw/zinc/15/71/89/456157189.db2.gz IXPKBYVOLLDEDX-JXMROGBWSA-N -1 0 342.395 3.306 20 30 EGEDRM COc1cc(C)nc(Cn2[n-]c(C(C)(C)C)c(CCC#N)c2=O)c1 ZINC000271225937 456182006 /nfs/dbraw/zinc/18/20/06/456182006.db2.gz QXRMDQRQKSADEU-UHFFFAOYSA-N -1 0 328.416 3.103 20 30 EGEDRM CC(C)c1ccccc1S(=O)(=O)[N-]c1nn(C(C)C)cc1C#N ZINC000189035502 456206369 /nfs/dbraw/zinc/20/63/69/456206369.db2.gz JACNRVDXCISSCR-UHFFFAOYSA-N -1 0 332.429 3.260 20 30 EGEDRM C=CCCS(=O)(=O)[N-]c1cc(Cl)ccc1O[C@H](C)COC ZINC000189075710 456218931 /nfs/dbraw/zinc/21/89/31/456218931.db2.gz IRRAJEHGVLMNMU-LLVKDONJSA-N -1 0 333.837 3.072 20 30 EGEDRM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]c1cc(C#N)ccn1 ZINC000352882938 456388310 /nfs/dbraw/zinc/38/83/10/456388310.db2.gz LTVAEBDHKRVMFU-UHFFFAOYSA-N -1 0 347.783 3.462 20 30 EGEDRM Cn1nc(C([O-])=C(C#N)c2ccc3ccccc3n2)c2c1CCCC2 ZINC000651584863 462269697 /nfs/dbraw/zinc/26/96/97/462269697.db2.gz YLMSPEKYNQXWQZ-OAHLLOKOSA-N -1 0 330.391 3.337 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2c(C#N)cnn2C2CCCC2)cc1C ZINC000337772290 456536467 /nfs/dbraw/zinc/53/64/67/456536467.db2.gz ORQUYPWNFRZMEJ-UHFFFAOYSA-N -1 0 344.440 3.288 20 30 EGEDRM Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1ccccc1CC#N ZINC000337793381 456550341 /nfs/dbraw/zinc/55/03/41/456550341.db2.gz CCPZWBDSCRDFTR-UHFFFAOYSA-N -1 0 337.404 3.410 20 30 EGEDRM CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)n[nH]1 ZINC000317365024 456616391 /nfs/dbraw/zinc/61/63/91/456616391.db2.gz CLFUHQLJJGGCJB-UHFFFAOYSA-N -1 0 338.820 3.033 20 30 EGEDRM C=CCSc1ccccc1C(=O)N=c1nc([C@H](C)OC)[n-]s1 ZINC000338023816 456655422 /nfs/dbraw/zinc/65/54/22/456655422.db2.gz WXFDXIAWKJJIMV-JTQLQIEISA-N -1 0 335.454 3.198 20 30 EGEDRM Cc1cc(C(C#N)=C([O-])c2ccn(-c3ccc(F)cc3C)n2)nc(C)n1 ZINC000340871555 456731788 /nfs/dbraw/zinc/73/17/88/456731788.db2.gz HOQZSHUQURHOIG-OAHLLOKOSA-N -1 0 349.369 3.217 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cccnc2C2CC2)n1 ZINC000344444887 456828939 /nfs/dbraw/zinc/82/89/39/456828939.db2.gz WJKGWVLAXSBUOB-LBPRGKRZSA-N -1 0 341.392 3.082 20 30 EGEDRM N#CC(=C([O-])c1cc(F)cc([N+](=O)[O-])c1)c1nc2ccccc2o1 ZINC000344550755 456836918 /nfs/dbraw/zinc/83/69/18/456836918.db2.gz LBKPPUSICVYKMN-GFCCVEGCSA-N -1 0 325.255 3.365 20 30 EGEDRM C=C(CNC(=O)N=c1[n-]nc(-c2ccco2)s1)c1ccccc1 ZINC000348826122 456872506 /nfs/dbraw/zinc/87/25/06/456872506.db2.gz FKNPQDPTAVUDIS-UHFFFAOYSA-N -1 0 326.381 3.055 20 30 EGEDRM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3cc(Cl)ccc3C#N)ccc2O1 ZINC000353797499 456910396 /nfs/dbraw/zinc/91/03/96/456910396.db2.gz XYFGFKRWJUFUOW-SNVBAGLBSA-N -1 0 348.811 3.336 20 30 EGEDRM COc1ccc(O)c(C(=O)N[C@@H]2CCCN(C3CCCCC3)C2=O)c1 ZINC000329837143 456948804 /nfs/dbraw/zinc/94/88/04/456948804.db2.gz MTBIMQSZXAKDTR-MRXNPFEDSA-N -1 0 346.427 3.029 20 30 EGEDRM C=CCN(Cc1ccccc1F)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356463664 457002470 /nfs/dbraw/zinc/00/24/70/457002470.db2.gz QGLZZIJAPMHWTA-UHFFFAOYSA-N -1 0 330.315 3.268 20 30 EGEDRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N(C)C3(C#N)CCC3)n2)c1 ZINC000346226825 457026156 /nfs/dbraw/zinc/02/61/56/457026156.db2.gz WWPNBWQPMNKJMV-UHFFFAOYSA-N -1 0 338.411 3.220 20 30 EGEDRM C=CCC[C@@H](NC(=O)N=c1nc([C@@H](C)OC)[n-]s1)c1ccccc1 ZINC000350635971 457195179 /nfs/dbraw/zinc/19/51/79/457195179.db2.gz FQNDIWKEGFKSOA-TZMCWYRMSA-N -1 0 346.456 3.496 20 30 EGEDRM CCc1noc2ncc(C([O-])=C(C#N)c3nc4ccccc4n3C)cc12 ZINC000342270920 457201819 /nfs/dbraw/zinc/20/18/19/457201819.db2.gz GYMCRWRHLGSXNY-ZDUSSCGKSA-N -1 0 345.362 3.162 20 30 EGEDRM COc1ccccc1Nc1ncccc1C([O-])=C(C#N)c1ccncn1 ZINC000354461574 457237703 /nfs/dbraw/zinc/23/77/03/457237703.db2.gz GBAAIGXAONIWNA-CQSZACIVSA-N -1 0 345.362 3.114 20 30 EGEDRM Cc1nn(C)c2nc(C([O-])=C(C#N)c3nc(C(C)C)cs3)ccc12 ZINC000342361935 457256131 /nfs/dbraw/zinc/25/61/31/457256131.db2.gz AICUYYQCUWUQPW-GFCCVEGCSA-N -1 0 339.424 3.347 20 30 EGEDRM Cc1oc2ccc([N-]S(=O)(=O)c3cncc(C#N)c3)cc2c1C ZINC000357081146 457311351 /nfs/dbraw/zinc/31/13/51/457311351.db2.gz NBHFIMGSHUYEPL-UHFFFAOYSA-N -1 0 327.365 3.117 20 30 EGEDRM C=CCC(C)(C)CNC(=O)c1ccccc1[N-]S(=O)(=O)CCC ZINC000352475498 457396839 /nfs/dbraw/zinc/39/68/39/457396839.db2.gz CUJOOODWMZNHRY-UHFFFAOYSA-N -1 0 338.473 3.170 20 30 EGEDRM N#CCc1ccccc1S(=O)(=O)[N-]c1cnoc1-c1ccccc1 ZINC000355876955 457425382 /nfs/dbraw/zinc/42/53/82/457425382.db2.gz CGPQWFNEPWBFLJ-UHFFFAOYSA-N -1 0 339.376 3.208 20 30 EGEDRM C=CCN=c1[n-]nc(SCc2cnc3c(cnn3C(C)C)c2)s1 ZINC000355927593 457431441 /nfs/dbraw/zinc/43/14/41/457431441.db2.gz OELSAORJMCYBKA-UHFFFAOYSA-N -1 0 346.485 3.176 20 30 EGEDRM Cc1cc(C(F)(F)F)ncc1[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000357339404 457457232 /nfs/dbraw/zinc/45/72/32/457457232.db2.gz LQXXRNPNOURJPO-UHFFFAOYSA-N -1 0 347.343 3.143 20 30 EGEDRM C=C(C)C(C)(C)C(=O)N=c1nc(Cc2ccc(F)cc2F)[n-]s1 ZINC000425259242 457474587 /nfs/dbraw/zinc/47/45/87/457474587.db2.gz SMSVZSKUZONVMI-UHFFFAOYSA-N -1 0 337.395 3.370 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(SC)o2)n1 ZINC000352742705 457574523 /nfs/dbraw/zinc/57/45/23/457574523.db2.gz DDRAJIJBURIRSY-MRVPVSSYSA-N -1 0 336.394 3.125 20 30 EGEDRM C=CCc1cc(CN=c2nc(C3CC3)[n-]s2)cc(OC)c1OC ZINC000426532556 457850905 /nfs/dbraw/zinc/85/09/05/457850905.db2.gz LVQFAZIDTHVFSQ-UHFFFAOYSA-N -1 0 331.441 3.195 20 30 EGEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(SC)c1C ZINC000361779673 457855061 /nfs/dbraw/zinc/85/50/61/457855061.db2.gz DPSYNPZGIXZLIY-UHFFFAOYSA-N -1 0 348.449 3.398 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3ccccc3n2)cc1F ZINC000427792684 458036981 /nfs/dbraw/zinc/03/69/81/458036981.db2.gz LDABTMZTRGUHCH-UHFFFAOYSA-N -1 0 327.340 3.046 20 30 EGEDRM N#CCc1ccc(S(=O)(=O)[N-]c2cnoc2C2CC2)c(Cl)c1 ZINC000414386671 458318445 /nfs/dbraw/zinc/31/84/45/458318445.db2.gz HPOVTVLVKQAPJC-UHFFFAOYSA-N -1 0 337.788 3.072 20 30 EGEDRM CCCc1c(C([O-])=C(C#N)c2ccncn2)cnn1-c1cccc(C)c1 ZINC000447604970 458320199 /nfs/dbraw/zinc/32/01/99/458320199.db2.gz FIRPCSXZSDHPEJ-MRXNPFEDSA-N -1 0 345.406 3.413 20 30 EGEDRM O=C(NCC#Cc1ccc(C(F)(F)F)cc1)c1ccc(F)cc1[O-] ZINC000436573003 458336009 /nfs/dbraw/zinc/33/60/09/458336009.db2.gz GQXPAGRLYMIFNH-UHFFFAOYSA-N -1 0 337.272 3.332 20 30 EGEDRM CCc1ccc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)cc1[N+](=O)[O-] ZINC000429573097 458347663 /nfs/dbraw/zinc/34/76/63/458347663.db2.gz KKLXNOGUQIYTDH-ZDUSSCGKSA-N -1 0 349.350 3.227 20 30 EGEDRM CC1(C)CCc2sc([N-]S(=O)(=O)c3ccc(C#N)cc3)nc21 ZINC000421257369 458409543 /nfs/dbraw/zinc/40/95/43/458409543.db2.gz KUCODMLJJBTHDE-UHFFFAOYSA-N -1 0 333.438 3.039 20 30 EGEDRM C[C@H](C(=O)N=c1nc(-c2ccsc2)[n-]s1)c1cccc(C#N)c1 ZINC000462066105 458591464 /nfs/dbraw/zinc/59/14/64/458591464.db2.gz DYQATQQTZUHWMB-JTQLQIEISA-N -1 0 340.433 3.302 20 30 EGEDRM C=CCCO[C@H](C)C(=O)N[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000455941911 458624329 /nfs/dbraw/zinc/62/43/29/458624329.db2.gz YKAULLXBIHMJHD-ZWNOBZJWSA-N -1 0 345.317 3.086 20 30 EGEDRM C=C[C@H](CC(=O)Nc1ccc(OCC(=O)[O-])cc1)c1ccccc1 ZINC000431992803 458658181 /nfs/dbraw/zinc/65/81/81/458658181.db2.gz GZGQNXGUXJHPIC-CQSZACIVSA-N -1 0 325.364 3.448 20 30 EGEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)c1ccc(C)cc1Cl ZINC000546707093 458661895 /nfs/dbraw/zinc/66/18/95/458661895.db2.gz GYAVVQGIIPJGRL-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM C=CC[C@H](CC)NC(=O)N=c1[n-]nc(-c2ccc(OC)cc2)s1 ZINC000439365254 458693555 /nfs/dbraw/zinc/69/35/55/458693555.db2.gz MRAMDMPCBAYWND-LBPRGKRZSA-N -1 0 332.429 3.112 20 30 EGEDRM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000439628182 458734098 /nfs/dbraw/zinc/73/40/98/458734098.db2.gz XNSSYUPRUWKUJL-UHFFFAOYSA-N -1 0 337.351 3.069 20 30 EGEDRM C=CCC[C@H](C(=O)N=c1nc([C@H](C)OC)[n-]s1)c1ccccc1 ZINC000511118512 458777358 /nfs/dbraw/zinc/77/73/58/458777358.db2.gz CLJXQVCAPZNNIP-JSGCOSHPSA-N -1 0 331.441 3.356 20 30 EGEDRM C=C[C@@H]1OCCC[C@H]1C(=O)N=c1cc(-c2ccc(Cl)s2)[nH][nH]1 ZINC000516921889 458824352 /nfs/dbraw/zinc/82/43/52/458824352.db2.gz UJIXIJHPOJXQQJ-KOLCDFICSA-N -1 0 337.832 3.133 20 30 EGEDRM CCc1cc(C#N)c([N-]S(=O)(=O)c2cc(F)cc(F)c2)s1 ZINC000566594534 458964880 /nfs/dbraw/zinc/96/48/80/458964880.db2.gz MQNMYQCJHOYGER-UHFFFAOYSA-N -1 0 328.365 3.261 20 30 EGEDRM COC(=O)c1ccc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)[nH]1 ZINC000590031726 459068889 /nfs/dbraw/zinc/06/88/89/459068889.db2.gz CUDCBYNJOBSSTE-SECBINFHSA-N -1 0 343.339 3.040 20 30 EGEDRM C=CC[C@H](CC)NC(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000567328494 459086476 /nfs/dbraw/zinc/08/64/76/459086476.db2.gz UAWNZQDFXWETCY-GXFFZTMASA-N -1 0 328.771 3.259 20 30 EGEDRM N#Cc1ccc(CCC(=O)Nc2c(=O)[nH][n-]c2-c2ccccc2)cc1 ZINC000590400053 459124283 /nfs/dbraw/zinc/12/42/83/459124283.db2.gz QQYACDFFFOWEFN-UHFFFAOYSA-N -1 0 332.363 3.225 20 30 EGEDRM C=CCCSCCNC(=O)N[C@H](C(=O)[O-])c1ccc(C)c(C)c1 ZINC000594690168 459131675 /nfs/dbraw/zinc/13/16/75/459131675.db2.gz GPUKDSBUQICCAR-HNNXBMFYSA-N -1 0 336.457 3.038 20 30 EGEDRM N#Cc1ccc(C(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)cc1 ZINC000590644438 459171276 /nfs/dbraw/zinc/17/12/76/459171276.db2.gz LEQFCALHEOTHNL-UHFFFAOYSA-N -1 0 334.375 3.276 20 30 EGEDRM C=CCC[C@@H](NC(=O)Nc1cccc(-c2nc(C)c(C)o2)c1)C(=O)[O-] ZINC000578840786 459239219 /nfs/dbraw/zinc/23/92/19/459239219.db2.gz MSTRCPDLAXRJAM-OAHLLOKOSA-N -1 0 343.383 3.499 20 30 EGEDRM C=CCN(C(=O)N=c1[n-]nc(-c2cc(C)cc(C)c2)s1)C1CC1 ZINC000481945997 459283529 /nfs/dbraw/zinc/28/35/29/459283529.db2.gz KNHQJZQFXUFLJM-UHFFFAOYSA-N -1 0 328.441 3.426 20 30 EGEDRM C[C@@H]1CCc2onc(C([O-])=C(C#N)c3cnc4ccccc4n3)c2C1 ZINC000560001024 459290345 /nfs/dbraw/zinc/29/03/45/459290345.db2.gz TZDNQRRRXCOROC-YPMHNXCESA-N -1 0 332.363 3.233 20 30 EGEDRM CC(=O)Nc1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)cc1F ZINC000559989409 459290758 /nfs/dbraw/zinc/29/07/58/459290758.db2.gz LQCSCFMFZRFABV-LBPRGKRZSA-N -1 0 337.310 3.415 20 30 EGEDRM Cn1nc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)c2c1CCCC2 ZINC000568476796 459292556 /nfs/dbraw/zinc/29/25/56/459292556.db2.gz BMBJAYXYYMHJPR-LBPRGKRZSA-N -1 0 348.328 3.203 20 30 EGEDRM C=CCC[C@@H](NC(=O)N[C@@H](C)c1nc(C(C)(C)C)cs1)C(=O)[O-] ZINC000560487176 459357598 /nfs/dbraw/zinc/35/75/98/459357598.db2.gz UALSUTLSTJJGPM-WDEREUQCSA-N -1 0 339.461 3.220 20 30 EGEDRM N#Cc1ccc(NC(=O)N([C@H](Cc2ccccc2)C(=O)[O-])C2CC2)cc1 ZINC000562412276 459557944 /nfs/dbraw/zinc/55/79/44/459557944.db2.gz NKQSTZRWWUMCKP-GOSISDBHSA-N -1 0 349.390 3.250 20 30 EGEDRM C=CCCCS(=O)(=O)[N-][C@@H](c1c(F)cccc1F)C(F)(F)F ZINC000489655410 459569120 /nfs/dbraw/zinc/56/91/20/459569120.db2.gz XPWRMQKYIRELEE-LBPRGKRZSA-N -1 0 343.317 3.454 20 30 EGEDRM C#C[C@H](NC(=O)c1cccc([O-])c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000491553991 459636792 /nfs/dbraw/zinc/63/67/92/459636792.db2.gz FMNAXGUBAGWWCF-ZDUSSCGKSA-N -1 0 330.727 3.058 20 30 EGEDRM C=CCN(Cc1ccccc1)C(=O)N=c1nc2cc(Cl)ccn2[n-]1 ZINC000573734602 459725791 /nfs/dbraw/zinc/72/57/91/459725791.db2.gz ZVPFRPAFUDAWMN-UHFFFAOYSA-N -1 0 341.802 3.025 20 30 EGEDRM N#CC(=C([O-])c1ccc(C(N)=O)s1)c1nc2cc(F)ccc2s1 ZINC000592973225 459725924 /nfs/dbraw/zinc/72/59/24/459725924.db2.gz AWWZWLPFMIRHRU-QMMMGPOBSA-N -1 0 345.380 3.086 20 30 EGEDRM C[C@](C#N)(NC(=O)c1cc(F)c(F)c([O-])c1F)C1CCCCC1 ZINC000573962394 459763118 /nfs/dbraw/zinc/76/31/18/459763118.db2.gz ZPKMNTWRKJHPFS-MRXNPFEDSA-N -1 0 326.318 3.402 20 30 EGEDRM C=CC(C)(C)CNc1nc(CN(C)C)nc2sc(C(=O)[O-])c(C)c21 ZINC000574919098 459893920 /nfs/dbraw/zinc/89/39/20/459893920.db2.gz LBEMPNKKGBZKNZ-UHFFFAOYSA-N -1 0 348.472 3.384 20 30 EGEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000598735577 460012941 /nfs/dbraw/zinc/01/29/41/460012941.db2.gz UNWMPAUOPLUMJD-HZPDHXFCSA-N -1 0 334.423 3.178 20 30 EGEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)C1(c2ccccc2Cl)CCC1 ZINC000593897750 460013969 /nfs/dbraw/zinc/01/39/69/460013969.db2.gz WFUQMFNJVWGGEG-UHFFFAOYSA-N -1 0 340.814 3.294 20 30 EGEDRM C[C@H](NC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000593953258 460024967 /nfs/dbraw/zinc/02/49/67/460024967.db2.gz SVMBERCWESKOEM-TVYUQYBPSA-N -1 0 349.818 3.469 20 30 EGEDRM CC(C)[C@@H](CNC(=O)Nc1ccccc1SC[C@H](C)C#N)C(=O)[O-] ZINC000593956678 460026584 /nfs/dbraw/zinc/02/65/84/460026584.db2.gz PTUPNEMIHINKJC-CHWSQXEVSA-N -1 0 349.456 3.417 20 30 EGEDRM CCCCN(C(=O)N=c1[n-]n(C)cc1C#N)[C@@H](C)c1ccc(C)o1 ZINC000610561585 460183846 /nfs/dbraw/zinc/18/38/46/460183846.db2.gz NJTSCAQEUNHKSZ-ZDUSSCGKSA-N -1 0 329.404 3.010 20 30 EGEDRM CC(C)[C@@H](NC(=O)N=c1[n-]n(C)cc1C#N)c1ccc(Cl)cc1F ZINC000611621308 460416221 /nfs/dbraw/zinc/41/62/21/460416221.db2.gz OAGLOCWXVVSXQN-CQSZACIVSA-N -1 0 349.797 3.025 20 30 EGEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)C1(c2ccccc2F)CCCC1 ZINC000601735351 460886211 /nfs/dbraw/zinc/88/62/11/460886211.db2.gz ANSVJSCZYXHVFZ-UHFFFAOYSA-N -1 0 338.386 3.170 20 30 EGEDRM CC(C)(CCC#N)CNC(=O)C[C@]1(C(=O)[O-])CCCc2ccccc21 ZINC000601980911 460968583 /nfs/dbraw/zinc/96/85/83/460968583.db2.gz BORSHOBBNVSWCC-HXUWFJFHSA-N -1 0 342.439 3.182 20 30 EGEDRM C[C@@H](S[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCC2)C(=O)[O-] ZINC000601985549 460971361 /nfs/dbraw/zinc/97/13/61/460971361.db2.gz YGZNKLBUDVUZDQ-RKDXNWHRSA-N -1 0 338.454 3.032 20 30 EGEDRM C=CCCC(C)(C)NC(=O)c1ccc(-n2ncc(C(=O)[O-])c2C)cc1 ZINC000659244097 461245656 /nfs/dbraw/zinc/24/56/56/461245656.db2.gz DVSNVZVKUHZFMK-UHFFFAOYSA-N -1 0 341.411 3.354 20 30 EGEDRM C=C[C@@H](CC(=O)N=c1nc(C(C)(C)OC)[n-]s1)c1ccccc1 ZINC000634151800 461444570 /nfs/dbraw/zinc/44/45/70/461444570.db2.gz LHNUXPIBFJQVNL-LBPRGKRZSA-N -1 0 331.441 3.140 20 30 EGEDRM C=C(C)[C@@H](NC(=O)NC[C@@H](C(=O)[O-])C(C)C)c1ccc(F)c(F)c1 ZINC000655874935 461516850 /nfs/dbraw/zinc/51/68/50/461516850.db2.gz BSQRCWSVELPEJN-IUODEOHRSA-N -1 0 340.370 3.238 20 30 EGEDRM C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(C)[C@H](CC)C(=O)[O-] ZINC000653336563 461637493 /nfs/dbraw/zinc/63/74/93/461637493.db2.gz HLGVDRDNNYLGBH-GFCCVEGCSA-N -1 0 345.317 3.205 20 30 EGEDRM C=CCOc1cccc(NC(=O)N2CCC(CCC(=O)[O-])CC2)c1 ZINC000656601902 461801626 /nfs/dbraw/zinc/80/16/26/461801626.db2.gz BBRKZFNJQRFSBW-UHFFFAOYSA-N -1 0 332.400 3.360 20 30 EGEDRM C=CCC[C@H](NC(=O)N[C@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000654803269 462386973 /nfs/dbraw/zinc/38/69/73/462386973.db2.gz YKHSCSPVSVPKGW-MFKMUULPSA-N -1 0 344.333 3.485 20 30 EGEDRM CCCc1ccc(S(=O)(=O)[N-]C(=O)CC[C@@H]2CCCO2)cc1 ZINC000048563350 521404569 /nfs/dbraw/zinc/40/45/69/521404569.db2.gz NXGQRMIIMDOUHX-AWEZNQCLSA-N -1 0 325.430 3.244 20 30 EGEDRM CC[C@@H](C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1)c1ccccc1 ZINC000048599892 521802772 /nfs/dbraw/zinc/80/27/72/521802772.db2.gz DLTBCECURFPPCB-MRXNPFEDSA-N -1 0 328.393 3.397 20 30 EGEDRM Cc1ccccc1CC(=O)[N-]S(=O)(=O)c1cccc2ncccc21 ZINC000075127659 525073395 /nfs/dbraw/zinc/07/33/95/525073395.db2.gz HRRDETSNCUATQQ-UHFFFAOYSA-N -1 0 340.404 3.431 20 30 EGEDRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C#N)ccc2C)c1 ZINC000171789167 536544936 /nfs/dbraw/zinc/54/49/36/536544936.db2.gz SRWCQLNYYOTKPK-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM CC(C)c1ncc(C([O-])=C(C#N)c2nnc3n2CCCCC3)s1 ZINC000122683086 546734728 /nfs/dbraw/zinc/73/47/28/546734728.db2.gz FEPZLEYKFLXHHY-LLVKDONJSA-N -1 0 329.429 3.074 20 30 EGEDRM Cc1noc(C(F)F)c1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000673811815 548632802 /nfs/dbraw/zinc/63/28/02/548632802.db2.gz MAKHONRVBFQIMJ-SECBINFHSA-N -1 0 330.294 3.297 20 30 EGEDRM C=CCNC(=O)C(C#N)=C([O-])c1cc(C)c(-c2ccc(F)cc2)s1 ZINC000726733047 574568586 /nfs/dbraw/zinc/56/85/86/574568586.db2.gz OZVVGDKSLFBOOI-CQSZACIVSA-N -1 0 342.395 3.487 20 30 EGEDRM CC(C)(C)c1nc(C([O-])=C(C#N)C(=O)NCc2ccccc2)cs1 ZINC000726732074 574568697 /nfs/dbraw/zinc/56/86/97/574568697.db2.gz ACRWBUONSGBDNR-CYBMUJFWSA-N -1 0 341.436 3.079 20 30 EGEDRM COc1ccc2c(c1)CCC[C@H]2[NH2+][C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000738073583 574650566 /nfs/dbraw/zinc/65/05/66/574650566.db2.gz HMNBQWVYHBRFDR-MOPGFXCFSA-N -1 0 336.391 3.360 20 30 EGEDRM CC(=NNc1cccc([N+](=O)[O-])c1C)c1ccc(CC(=O)[O-])cc1 ZINC000727973462 574707975 /nfs/dbraw/zinc/70/79/75/574707975.db2.gz MNFHTVYHRFMLJZ-UHFFFAOYSA-N -1 0 327.340 3.366 20 30 EGEDRM Cc1cc(C(=O)/C=C\c2cccc(O[C@@H](C)C(=O)[O-])c2)ccc1O ZINC000728231593 574732009 /nfs/dbraw/zinc/73/20/09/574732009.db2.gz LYEVGONQFDDMKM-WOLRVDTOSA-N -1 0 326.348 3.449 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)CCc2ccccc2C)n1 ZINC000729013767 574804913 /nfs/dbraw/zinc/80/49/13/574804913.db2.gz VQSWOKKEVYLKLB-HNNXBMFYSA-N -1 0 342.420 3.112 20 30 EGEDRM COc1ccc(/C=C2/Oc3cc(O)cc(C)c3C2=O)cc1[N+](=O)[O-] ZINC000730149905 574925569 /nfs/dbraw/zinc/92/55/69/574925569.db2.gz LYRNPPWLBDLDRV-VIZOYTHASA-N -1 0 327.292 3.234 20 30 EGEDRM O=C([O-])C(F)(F)Oc1ccc(/C=C\C(=O)c2cccc(O)c2)cc1 ZINC000730730113 575013415 /nfs/dbraw/zinc/01/34/15/575013415.db2.gz VCBGFBXGCARPFH-TWGQIWQCSA-N -1 0 334.274 3.345 20 30 EGEDRM Cc1nn(C)c(C)c1C(=NNc1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000733902152 575407452 /nfs/dbraw/zinc/40/74/52/575407452.db2.gz MTTLJXAXDYXAJE-UHFFFAOYSA-N -1 0 340.305 3.114 20 30 EGEDRM C=CCN(CC1CCCCC1)S(=O)(=O)c1ccccc1C(=O)[O-] ZINC000736108169 575896970 /nfs/dbraw/zinc/89/69/70/575896970.db2.gz MTSPBHKCFNXXTP-UHFFFAOYSA-N -1 0 337.441 3.142 20 30 EGEDRM C=CCN(CC1CCCCC1)S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000736108031 575896972 /nfs/dbraw/zinc/89/69/72/575896972.db2.gz HCLFMPLPIDKUNI-UHFFFAOYSA-N -1 0 343.470 3.203 20 30 EGEDRM C#Cc1cccc(NC(=S)N(C)Cc2cc(C(=O)[O-])c(C)o2)c1 ZINC000736090621 575898563 /nfs/dbraw/zinc/89/85/63/575898563.db2.gz FERDZZRBPQKXPH-UHFFFAOYSA-N -1 0 328.393 3.096 20 30 EGEDRM C#Cc1ccc(C(=O)Nc2sc3c(c2C(=O)[O-])CCCCC3)cn1 ZINC000736093560 575898681 /nfs/dbraw/zinc/89/86/81/575898681.db2.gz VZYLMHNFAOXLKN-UHFFFAOYSA-N -1 0 340.404 3.344 20 30 EGEDRM C=CC1CCN(C(=O)NCc2ccc(OCCCC(=O)[O-])cc2)CC1 ZINC000736096716 575899281 /nfs/dbraw/zinc/89/92/81/575899281.db2.gz RYZPUDGAOPYIDJ-UHFFFAOYSA-N -1 0 346.427 3.038 20 30 EGEDRM CC(=NOCc1cc(C(=O)[O-])co1)c1ccc(NC(=O)C2CC2)cc1 ZINC000736126703 575902929 /nfs/dbraw/zinc/90/29/29/575902929.db2.gz QOMYNJKPZUUJPS-UHFFFAOYSA-N -1 0 342.351 3.267 20 30 EGEDRM CC(C)Cc1nc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)cs1 ZINC000736453136 575965335 /nfs/dbraw/zinc/96/53/35/575965335.db2.gz HSFZQVSNESFNCB-HNNXBMFYSA-N -1 0 344.392 3.196 20 30 EGEDRM C[C@@H]1C[C@H]1NC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000736765593 576023821 /nfs/dbraw/zinc/02/38/21/576023821.db2.gz LSEYLLDGPTXVTH-FZKQIMNGSA-N -1 0 334.375 3.315 20 30 EGEDRM CN(C(=O)CSCc1ccc(C#N)cc1)c1ccccc1C(=O)[O-] ZINC000737323376 576205558 /nfs/dbraw/zinc/20/55/58/576205558.db2.gz PXHSTKLVMXUBBA-UHFFFAOYSA-N -1 0 340.404 3.153 20 30 EGEDRM CSc1ccc([C@@H](CC(=O)[O-])/N=C/c2ccc(O)c(O)c2O)cc1 ZINC000738199676 576299098 /nfs/dbraw/zinc/29/90/98/576299098.db2.gz PUAUALZQBLQEBD-AGZSBTIMSA-N -1 0 347.392 3.160 20 30 EGEDRM Cc1cc(NC(=O)NCc2ccc(C#N)cc2F)ccc1C(=O)[O-] ZINC000738442681 576326974 /nfs/dbraw/zinc/32/69/74/576326974.db2.gz YJKZACHJXNPKKX-UHFFFAOYSA-N -1 0 327.315 3.026 20 30 EGEDRM Cc1ccc(N(CCC#N)C(=O)[C@@H](C)SC[C@@H](C)C(=O)[O-])cc1 ZINC000738608143 576341690 /nfs/dbraw/zinc/34/16/90/576341690.db2.gz CWNABBUUUYIOQH-ZIAGYGMSSA-N -1 0 334.441 3.084 20 30 EGEDRM Cc1ccc(OC(=O)c2cc3ccccc3n2CC#N)c(C(=O)[O-])c1 ZINC000738636872 576344651 /nfs/dbraw/zinc/34/46/51/576344651.db2.gz FECIMVGWGDBLKV-UHFFFAOYSA-N -1 0 334.331 3.391 20 30 EGEDRM Cc1cccc2[nH]cc(CC(=O)O[C@H](C(=O)[O-])c3ccc(C#N)cc3)c21 ZINC000738747270 576358729 /nfs/dbraw/zinc/35/87/29/576358729.db2.gz RFRNNSFGLXSUSI-IBGZPJMESA-N -1 0 348.358 3.260 20 30 EGEDRM N#C[C@@H](C(=O)Nc1ccccc1C(=O)[O-])c1nc2ccccc2s1 ZINC000739074477 576376838 /nfs/dbraw/zinc/37/68/38/576376838.db2.gz KCRRCZYTVRZEDB-NSHDSACASA-N -1 0 337.360 3.240 20 30 EGEDRM N#Cc1c(COC(=O)c2ccccc2NC(=O)[O-])cn2ccccc12 ZINC000739093347 576377620 /nfs/dbraw/zinc/37/76/20/576377620.db2.gz PKIHBUUBRNGKKW-UHFFFAOYSA-N -1 0 335.319 3.258 20 30 EGEDRM N#CCn1c(C(=O)Nc2cc(C(=O)[O-])ccc2F)cc2ccccc21 ZINC000739093036 576377652 /nfs/dbraw/zinc/37/76/52/576377652.db2.gz YOTOOKJJWIRPPG-UHFFFAOYSA-N -1 0 337.310 3.254 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2cccc(CSCC(=O)[O-])c2)cc1 ZINC000739105368 576378137 /nfs/dbraw/zinc/37/81/37/576378137.db2.gz LJMZULGMRTYFTG-UHFFFAOYSA-N -1 0 326.377 3.128 20 30 EGEDRM N#Cc1ccc([C@@H](OC(=O)CCc2c[nH]c3ccccc23)C(=O)[O-])cc1 ZINC000739107309 576378373 /nfs/dbraw/zinc/37/83/73/576378373.db2.gz AJXWTRXLSXELBZ-LJQANCHMSA-N -1 0 348.358 3.341 20 30 EGEDRM N#Cc1cccc(C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)c1 ZINC000739132392 576379252 /nfs/dbraw/zinc/37/92/52/576379252.db2.gz NWLAMDFWGLXTEW-UHFFFAOYSA-N -1 0 332.262 3.110 20 30 EGEDRM N#Cc1ccccc1OCCSCCOc1cccc(C(=O)[O-])c1 ZINC000739147705 576379746 /nfs/dbraw/zinc/37/97/46/576379746.db2.gz ZGSDQCKMUBAUJN-UHFFFAOYSA-N -1 0 343.404 3.447 20 30 EGEDRM O=C([O-])N1CCC(N=Nc2c(F)cc(F)cc2Br)CC1 ZINC000739918827 576519622 /nfs/dbraw/zinc/51/96/22/576519622.db2.gz CMYQKHAFQHLIIA-UHFFFAOYSA-N -1 0 348.147 3.269 20 30 EGEDRM O=C([O-])[C@H](Cc1ccccc1)/N=C\c1cc(Br)ccc1O ZINC000740057194 576540670 /nfs/dbraw/zinc/54/06/70/576540670.db2.gz UUHQDEOPODHGNZ-KPYNCUPYSA-N -1 0 348.196 3.270 20 30 EGEDRM O=C([O-])c1ccc2[nH]cc(C=Nn3cnnc3-c3ccccc3)c2c1 ZINC000740191268 576562732 /nfs/dbraw/zinc/56/27/32/576562732.db2.gz XCGQDGPNXUBUAR-UHFFFAOYSA-N -1 0 331.335 3.007 20 30 EGEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1cccc(Nc2ccccc2)c1 ZINC000741110639 576655217 /nfs/dbraw/zinc/65/52/17/576655217.db2.gz KVHBPPADHIRHCF-GOSISDBHSA-N -1 0 333.391 3.375 20 30 EGEDRM C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(CC)cc1 ZINC000741657712 576709031 /nfs/dbraw/zinc/70/90/31/576709031.db2.gz VCPQJBQCQHKTMR-UHFFFAOYSA-N -1 0 333.384 3.201 20 30 EGEDRM C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C)c(F)c1 ZINC000741658246 576709080 /nfs/dbraw/zinc/70/90/80/576709080.db2.gz QFXHNKCDBRWTBC-UHFFFAOYSA-N -1 0 337.347 3.086 20 30 EGEDRM COc1ccc2c(c1)OCC[C@@H]2/N=C/c1cc([N+](=O)[O-])ccc1[O-] ZINC000741755501 576717562 /nfs/dbraw/zinc/71/75/62/576717562.db2.gz DNLCZYXCCBBAGD-ZNBBLSJYSA-N -1 0 328.324 3.252 20 30 EGEDRM Cc1cc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)n(CCC#N)n1 ZINC000742030004 576743827 /nfs/dbraw/zinc/74/38/27/576743827.db2.gz NJELIACGRWVDOC-UHFFFAOYSA-N -1 0 346.456 3.204 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(COc2ccccc2)cc1 ZINC000819846944 597608922 /nfs/dbraw/zinc/60/89/22/597608922.db2.gz INRUESBGCADHIO-IBGZPJMESA-N -1 0 338.363 3.209 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000819855258 597644272 /nfs/dbraw/zinc/64/42/72/597644272.db2.gz AGFDPWCMIGGPRP-GOSISDBHSA-N -1 0 329.400 3.010 20 30 EGEDRM N#Cc1cc(NC(=O)c2ccc(C(=O)[O-])cc2)c(Cl)c([N+](=O)[O-])c1 ZINC000821330208 598157211 /nfs/dbraw/zinc/15/72/11/598157211.db2.gz WKAWKATUFBJUOA-UHFFFAOYSA-N -1 0 345.698 3.070 20 30 EGEDRM N#Cc1ccsc1C(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC000739141852 599870711 /nfs/dbraw/zinc/87/07/11/599870711.db2.gz APHYTQDLWOHTHD-UHFFFAOYSA-N -1 0 342.401 3.463 20 30 EGEDRM N#Cc1ccc([C@@H](OC(=O)c2ccc(F)cc2Cl)C(=O)[O-])cc1 ZINC000739116046 600604728 /nfs/dbraw/zinc/60/47/28/600604728.db2.gz YAPGYEFALQDUKK-CQSZACIVSA-N -1 0 333.702 3.333 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1ccncc1Cl ZINC000825705273 600806807 /nfs/dbraw/zinc/80/68/07/600806807.db2.gz ANQPREUSPAJPOH-UHFFFAOYSA-N -1 0 347.754 3.390 20 30 EGEDRM C=CCOc1ccc(C(=O)O[C@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000825699319 601098888 /nfs/dbraw/zinc/09/88/88/601098888.db2.gz XDCHXZXOGXXWMU-INIZCTEOSA-N -1 0 330.311 3.373 20 30 EGEDRM Cc1c(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)cnc2ccccc12 ZINC000832853717 601188925 /nfs/dbraw/zinc/18/89/25/601188925.db2.gz MFGJXFMEQLPNQX-SFHVURJKSA-N -1 0 346.342 3.398 20 30 EGEDRM C#CCOc1ccccc1[C@H](C)OC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000825631312 601238944 /nfs/dbraw/zinc/23/89/44/601238944.db2.gz BDRADRNBKPVIEG-KKUMJFAQSA-N -1 0 330.380 3.194 20 30 EGEDRM CCC(CC)(CC(=O)[O-])NC(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000828784720 601271145 /nfs/dbraw/zinc/27/11/45/601271145.db2.gz IHCYVODXPIUWCW-UHFFFAOYSA-N -1 0 334.420 3.270 20 30 EGEDRM N#Cc1ccc(C(=O)N2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)[O-])s1 ZINC000833070417 601287917 /nfs/dbraw/zinc/28/79/17/601287917.db2.gz FORPDNBTPCGPGN-GXTWGEPZSA-N -1 0 332.425 3.115 20 30 EGEDRM CC(=O)N1CCCc2cc(N[C@@H](C(=O)[O-])c3cccc(C#N)c3)ccc21 ZINC000825834171 601303557 /nfs/dbraw/zinc/30/35/57/601303557.db2.gz LRRKENVZWLACNR-LJQANCHMSA-N -1 0 349.390 3.095 20 30 EGEDRM N#Cc1cccc([C@H](OC(=O)c2cc3ccsc3[nH]2)C(=O)[O-])c1 ZINC000833076005 601346095 /nfs/dbraw/zinc/34/60/95/601346095.db2.gz GBLNGKLQHVFABP-ZDUSSCGKSA-N -1 0 326.333 3.084 20 30 EGEDRM N#Cc1cccc([C@@H](OC(=O)c2ccc3cc(O)ccc3c2)C(=O)[O-])c1 ZINC000833077668 601348116 /nfs/dbraw/zinc/34/81/16/601348116.db2.gz YRMNLUYSSRSTMP-GOSISDBHSA-N -1 0 347.326 3.400 20 30 EGEDRM C[C@@H](Cc1cccc(F)c1)C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000827586115 601350968 /nfs/dbraw/zinc/35/09/68/601350968.db2.gz GPKPAYXKSBUEFP-YVEFUNNKSA-N -1 0 341.338 3.245 20 30 EGEDRM CSc1ccsc1C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832790596 601352714 /nfs/dbraw/zinc/35/27/14/601352714.db2.gz NLMBZSFIYVBNRS-GFCCVEGCSA-N -1 0 333.390 3.324 20 30 EGEDRM CC[C@H](Cc1ccccc1)C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000828901173 601352727 /nfs/dbraw/zinc/35/27/27/601352727.db2.gz QIYYLVXMZYUEJP-SJLPKXTDSA-N -1 0 337.375 3.496 20 30 EGEDRM CCc1oc(C(=O)[O-])cc1CN(CCOC)Cc1ccc(C#N)cc1 ZINC000830363116 601414403 /nfs/dbraw/zinc/41/44/03/601414403.db2.gz OQZFPLXWRDRWNE-UHFFFAOYSA-N -1 0 342.395 3.060 20 30 EGEDRM O=C([O-])[C@H](NCC#Cc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000833166761 601416403 /nfs/dbraw/zinc/41/64/03/601416403.db2.gz JVTROGYQVBXKSL-MRXNPFEDSA-N -1 0 333.309 3.472 20 30 EGEDRM C/C(=C/c1ccc(F)cc1)C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000825798717 601472555 /nfs/dbraw/zinc/47/25/55/601472555.db2.gz UUTXOBMEUAXQSH-XSLBHYSZSA-N -1 0 339.322 3.470 20 30 EGEDRM Cc1cccc(C)c1N=C1NC(=O)/C(=C\c2c[nH]c(C(=O)[O-])c2)S1 ZINC000832963997 601789640 /nfs/dbraw/zinc/78/96/40/601789640.db2.gz BMTCJFBEYYUVGU-NTUHNPAUSA-N -1 0 341.392 3.221 20 30 EGEDRM O=C([O-])c1cc(/C=C2/COc3c(Br)cccc3C2=O)c[nH]1 ZINC000833298128 601793523 /nfs/dbraw/zinc/79/35/23/601793523.db2.gz OIDDPPCYWASALX-WTKPLQERSA-N -1 0 348.152 3.134 20 30 EGEDRM C[C@@H]1CN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)C[C@H](c2ccsc2)O1 ZINC000828411095 601886084 /nfs/dbraw/zinc/88/60/84/601886084.db2.gz DMKXSCRZURWBHQ-CSMYWGQOSA-N -1 0 342.420 3.207 20 30 EGEDRM CN(CC(F)(F)C(F)F)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830702113 601898785 /nfs/dbraw/zinc/89/87/85/601898785.db2.gz MZULLIWXCWVVJN-VIFPVBQESA-N -1 0 333.203 3.062 20 30 EGEDRM COc1ccc(C#N)cc1NC(=O)N[C@H]1CCCCCC[C@@H]1C(=O)[O-] ZINC000832152898 602036318 /nfs/dbraw/zinc/03/63/18/602036318.db2.gz PUBWEFSDAZQCPL-KBPBESRZSA-N -1 0 345.399 3.112 20 30 EGEDRM C#CCOc1ccc(F)cc1NC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000817675366 602105236 /nfs/dbraw/zinc/10/52/36/602105236.db2.gz SJKSDHBRJBWLFQ-UHFFFAOYSA-N -1 0 342.326 3.109 20 30 EGEDRM C[C@H](Oc1ccc(/C=C\C(=O)c2ccc([N+](=O)[O-])cc2)cc1)C(=O)[O-] ZINC000794692790 602105494 /nfs/dbraw/zinc/10/54/94/602105494.db2.gz WQAJJBVVHGQGGU-MCWZUMHDSA-N -1 0 341.319 3.343 20 30 EGEDRM Cc1cc(C(=O)/C=C\c2ccc(O[C@H](C)C(=O)[O-])cc2)ccc1O ZINC000794706646 602110584 /nfs/dbraw/zinc/11/05/84/602110584.db2.gz GZUMIRFDAMGQBS-WYOARUQKSA-N -1 0 326.348 3.449 20 30 EGEDRM N#Cc1cccc(-c2nnc(CNc3cc(C(=O)[O-])ccc3F)o2)c1 ZINC000833074099 602127649 /nfs/dbraw/zinc/12/76/49/602127649.db2.gz OOXBPXWLRIZKPX-UHFFFAOYSA-N -1 0 338.298 3.058 20 30 EGEDRM Cc1ccc(-c2csc(C(C#N)C(=O)[C@@H](C)CC(=O)[O-])n2)cc1 ZINC000832907207 602183240 /nfs/dbraw/zinc/18/32/40/602183240.db2.gz OXDDCRJSFWEEIL-AAEUAGOBSA-N -1 0 328.393 3.406 20 30 EGEDRM CC[C@@H](OC1CCCCC1)C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000829009784 602271491 /nfs/dbraw/zinc/27/14/91/602271491.db2.gz PYJZNYUGIQXXDA-IAGOWNOFSA-N -1 0 345.395 3.355 20 30 EGEDRM COc1cc(F)cc(NN=Cc2ccc(O[C@@H](C)C(=O)[O-])cc2)c1 ZINC000794919464 602312012 /nfs/dbraw/zinc/31/20/12/602312012.db2.gz YYUAIUPZLQJPGF-NSHDSACASA-N -1 0 332.331 3.132 20 30 EGEDRM C[C@@H](Sc1ccccc1C(=O)Oc1ccc(C#N)cc1F)C(=O)[O-] ZINC000827922343 604394010 /nfs/dbraw/zinc/39/40/10/604394010.db2.gz PNHDCOKJBHPLOD-SNVBAGLBSA-N -1 0 345.351 3.482 20 30 EGEDRM CCC(CC)n1ccc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)n1 ZINC000828870691 604434522 /nfs/dbraw/zinc/43/45/22/604434522.db2.gz UWSYUQXLRXBLFN-MRXNPFEDSA-N -1 0 341.367 3.099 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)Cc1ccc(C)o1 ZINC000833379617 604469231 /nfs/dbraw/zinc/46/92/31/604469231.db2.gz IZYIGAPENVKZAK-UHFFFAOYSA-N -1 0 330.336 3.171 20 30 EGEDRM CC1=C(C(=O)[O-])[C@@H](c2ccc(C#N)o2)NC(=O)N1CC1CCCCC1 ZINC000833575731 604542534 /nfs/dbraw/zinc/54/25/34/604542534.db2.gz BYOCAKRQZGNTKO-MRXNPFEDSA-N -1 0 343.383 3.156 20 30 EGEDRM C=C(C)[C@@H](CC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-])OCC ZINC000833367285 604570264 /nfs/dbraw/zinc/57/02/64/604570264.db2.gz KABGOXUWJQWYLW-NVXWUHKLSA-N -1 0 333.428 3.326 20 30 EGEDRM Cn1c(Cl)nc(Cl)c1/C=C/C(=O)c1ccc(C(=O)[O-])cc1 ZINC000833040251 604630779 /nfs/dbraw/zinc/63/07/79/604630779.db2.gz XITZDAZGLHEXBL-VOTSOKGWSA-N -1 0 325.151 3.321 20 30 EGEDRM CC(N=Nc1nc(-c2ccncc2)no1)[C@H](C)CCCCC(=O)[O-] ZINC000814827595 604638601 /nfs/dbraw/zinc/63/86/01/604638601.db2.gz QPUUCVFKOKHIRX-LLVKDONJSA-N -1 0 331.376 3.201 20 30 EGEDRM C#CC[C@H](NC(=O)Nc1ccc(OCC(=O)[O-])cc1)c1ccccc1 ZINC000833360517 604655988 /nfs/dbraw/zinc/65/59/88/604655988.db2.gz KVECJZVLIBWMBG-KRWDZBQOSA-N -1 0 338.363 3.036 20 30 EGEDRM C=C(C)COc1cc(CN=Nc2ccc(C(=O)[O-])cn2)ccc1OC ZINC000763367692 604667517 /nfs/dbraw/zinc/66/75/17/604667517.db2.gz FWEJNWBOFHINBF-UHFFFAOYSA-N -1 0 341.367 3.189 20 30 EGEDRM CCOc1ccc(CN=Nc2ccc(C(=O)[O-])cn2)cc1OCC ZINC000763368101 604670250 /nfs/dbraw/zinc/67/02/50/604670250.db2.gz KGLXXAVFVJYEDD-UHFFFAOYSA-N -1 0 329.356 3.023 20 30 EGEDRM N#Cc1ccc([C@@H](C(=O)[O-])N2CCc3ccc(F)c(F)c3C2)cc1 ZINC000833072278 604680165 /nfs/dbraw/zinc/68/01/65/604680165.db2.gz QTORPCBBVSMKLZ-KRWDZBQOSA-N -1 0 328.318 3.020 20 30 EGEDRM C#CCCCCC(=O)NC[C@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000833362693 605012973 /nfs/dbraw/zinc/01/29/73/605012973.db2.gz FSMMRMSTJOYEQF-SFHVURJKSA-N -1 0 337.419 3.393 20 30 EGEDRM C[C@H](C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1)c1c(F)cccc1F ZINC000833407193 605035970 /nfs/dbraw/zinc/03/59/70/605035970.db2.gz SFCWNLMVLBLGLD-QFYYESIMSA-N -1 0 345.301 3.309 20 30 EGEDRM C=CCn1c(SCCOc2ccccc2C(=O)[O-])nnc1C1CC1 ZINC000833380271 605149381 /nfs/dbraw/zinc/14/93/81/605149381.db2.gz ANNIVEHPEJYKPE-UHFFFAOYSA-N -1 0 345.424 3.211 20 30 EGEDRM C[C@@]1(NC(=O)c2ccc(C3(C#N)CC3)cc2)CCCC[C@H]1C(=O)[O-] ZINC000833567265 605221382 /nfs/dbraw/zinc/22/13/82/605221382.db2.gz KEOSRJZUFTWUBL-MAUKXSAKSA-N -1 0 326.396 3.005 20 30 EGEDRM CC(C)(C)OC(=O)c1cccc(CN=Nc2ccc(C(=O)[O-])cn2)c1 ZINC000777891173 605286827 /nfs/dbraw/zinc/28/68/27/605286827.db2.gz YFIVLYJHAVICEA-UHFFFAOYSA-N -1 0 341.367 3.181 20 30 EGEDRM C[C@@]1(C#N)CCCN([C@H](C(=O)[O-])c2ccccc2C(F)(F)F)C1 ZINC000833550818 605421385 /nfs/dbraw/zinc/42/13/85/605421385.db2.gz DOGWESJTIFZNQJ-ZFWWWQNUSA-N -1 0 326.318 3.457 20 30 EGEDRM C#CCCCCCC(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000833362079 605628100 /nfs/dbraw/zinc/62/81/00/605628100.db2.gz YMWVDTCFYMNXBI-HNNXBMFYSA-N -1 0 325.767 3.305 20 30 EGEDRM O=C([N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C1CCCC1 ZINC000042241213 1291437028 /nfs/dbraw/zinc/43/70/28/1291437028.db2.gz PUGDJJGBPDXTMO-UHFFFAOYSA-N -1 0 332.765 3.084 20 30 EGEDRM O=C(COc1ccc2c(c1)CCC2)[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000042248945 1291438360 /nfs/dbraw/zinc/43/83/60/1291438360.db2.gz WJTZSWFZULGTPX-UHFFFAOYSA-N -1 0 349.383 3.039 20 30 EGEDRM O=C([N-]S(=O)(=O)c1cccnc1)c1ccc(-c2ccccc2)cc1 ZINC000042323105 1291440306 /nfs/dbraw/zinc/44/03/06/1291440306.db2.gz RSQREDNBJSXGFW-UHFFFAOYSA-N -1 0 338.388 3.442 20 30 EGEDRM CC(C)(C)c1ccccc1OCC(=O)[N-]S(=O)(=O)c1cccnc1 ZINC000042322348 1291440361 /nfs/dbraw/zinc/44/03/61/1291440361.db2.gz ZNSAOAQNIQLOCU-UHFFFAOYSA-N -1 0 348.424 3.103 20 30 EGEDRM COc1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)c2ccccc12 ZINC000044013272 1291467071 /nfs/dbraw/zinc/46/70/71/1291467071.db2.gz RYLICBCUIDCBJS-XSBJJCPUSA-N -1 0 336.343 3.077 20 30 EGEDRM CCCc1ccc(S(=O)(=O)[N-]C(=O)c2cccc(C#N)c2)cc1 ZINC000045098442 1291505083 /nfs/dbraw/zinc/50/50/83/1291505083.db2.gz OLGVITKUOVAWAY-UHFFFAOYSA-N -1 0 328.393 3.204 20 30 EGEDRM O=C([N-]S(=O)(=O)Cc1ccc(F)cc1)c1cc(Cl)ccc1F ZINC000045099858 1291505142 /nfs/dbraw/zinc/50/51/42/1291505142.db2.gz NHFWHDWKPDNESK-UHFFFAOYSA-N -1 0 345.754 3.453 20 30 EGEDRM O=C(CCc1ccsc1)[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC000045099799 1291505209 /nfs/dbraw/zinc/50/52/09/1291505209.db2.gz BZIPEBCKASESEE-UHFFFAOYSA-N -1 0 327.402 3.306 20 30 EGEDRM O=C(CSc1ccc(F)cc1)[N-]S(=O)(=O)c1ccccc1F ZINC000048587745 1291612544 /nfs/dbraw/zinc/61/25/44/1291612544.db2.gz WNRLBIZIKLOMCZ-UHFFFAOYSA-N -1 0 343.376 3.402 20 30 EGEDRM N#Cc1cccc(S(=O)(=O)[N-]C(=O)CCCc2cccs2)c1 ZINC000048598389 1291612649 /nfs/dbraw/zinc/61/26/49/1291612649.db2.gz PBWZZCVMKLZLRK-UHFFFAOYSA-N -1 0 334.422 3.288 20 30 EGEDRM CCOCCCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000048615866 1291613688 /nfs/dbraw/zinc/61/36/88/1291613688.db2.gz OQAZNRNUEBWIME-UHFFFAOYSA-N -1 0 325.430 3.027 20 30 EGEDRM CC(C)S(=O)(=O)[N-]C(=O)[C@@H](C)Oc1cccc(Cl)c1Cl ZINC000049417364 1291627995 /nfs/dbraw/zinc/62/79/95/1291627995.db2.gz QNUWXOKVIBPHJC-MRVPVSSYSA-N -1 0 340.228 3.455 20 30 EGEDRM CC(C)S(=O)(=O)[N-]C(=O)[C@H](C)Oc1cccc(Cl)c1Cl ZINC000049417365 1291628828 /nfs/dbraw/zinc/62/88/28/1291628828.db2.gz QNUWXOKVIBPHJC-QMMMGPOBSA-N -1 0 340.228 3.455 20 30 EGEDRM O=C(CC1CCCCC1)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000054492204 1291754192 /nfs/dbraw/zinc/75/41/92/1291754192.db2.gz YSOTTZOWGYNYCF-UHFFFAOYSA-N -1 0 344.364 3.350 20 30 EGEDRM C=C(C)COC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000061495336 1291973308 /nfs/dbraw/zinc/97/33/08/1291973308.db2.gz MKHPXPUCRREVSL-UHFFFAOYSA-N -1 0 337.422 3.282 20 30 EGEDRM C[C@]1(C([O-])=C(C#N)c2nc3ccccc3o2)Cc2ccccc2C(=O)O1 ZINC000066516856 1292119741 /nfs/dbraw/zinc/11/97/41/1292119741.db2.gz HOIWNSVBZRAETJ-JLTOFOAXSA-N -1 0 346.342 3.176 20 30 EGEDRM CCCCO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000068490802 1292205128 /nfs/dbraw/zinc/20/51/28/1292205128.db2.gz QEDFIDYLGTTYDV-CYBMUJFWSA-N -1 0 339.457 3.416 20 30 EGEDRM CC(C)Oc1cccc(CC(=O)[N-]S(=O)(=O)c2cccs2)c1 ZINC000069282378 1292237777 /nfs/dbraw/zinc/23/77/77/1292237777.db2.gz BNKDPWQTFFMJNY-UHFFFAOYSA-N -1 0 339.438 3.423 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)CC[C@H]2CC[C@H](C)O2)c(C)c1 ZINC000076757980 1292440289 /nfs/dbraw/zinc/44/02/89/1292440289.db2.gz NXRBUOLEOALCDM-UONOGXRCSA-N -1 0 325.430 3.296 20 30 EGEDRM CC(C)(C)c1ncc(/C=C2\CCc3occ(C(=O)[O-])c3C2=O)cn1 ZINC000828234762 1292444815 /nfs/dbraw/zinc/44/48/15/1292444815.db2.gz WWVHKJBEINHHEW-IZZDOVSWSA-N -1 0 326.352 3.278 20 30 EGEDRM CCn1nc(C)c(C([O-])=C(C#N)c2nc3ccccc3o2)c1Cl ZINC000076843140 1292445347 /nfs/dbraw/zinc/44/53/47/1292445347.db2.gz WTVCRVCJCUWYAQ-JTQLQIEISA-N -1 0 328.759 3.496 20 30 EGEDRM CCCC(=O)[N-]S(=O)(=O)c1cc(C)c(Br)s1 ZINC000084852128 1292713983 /nfs/dbraw/zinc/71/39/83/1292713983.db2.gz PNSHIRUCOWGQAS-UHFFFAOYSA-N -1 0 326.237 3.264 20 30 EGEDRM CC(C)Oc1ccccc1CC(=O)[N-]S(=O)(=O)C1CCCC1 ZINC000086054914 1292727744 /nfs/dbraw/zinc/72/77/44/1292727744.db2.gz CPAITYFXJVSYJL-UHFFFAOYSA-N -1 0 325.430 3.245 20 30 EGEDRM O=C(Cc1coc(-c2cccs2)n1)[N-]S(=O)(=O)C1CCCC1 ZINC000086056709 1292728296 /nfs/dbraw/zinc/72/82/96/1292728296.db2.gz UYGIPQLMRVQSCK-UHFFFAOYSA-N -1 0 340.426 3.175 20 30 EGEDRM O=C(Cc1ccc(F)c(F)c1)[N-]S(=O)(=O)C=Cc1ccccc1 ZINC000088800295 1292756867 /nfs/dbraw/zinc/75/68/67/1292756867.db2.gz AAVQBEJQPJUEGT-CMDGGOBGSA-N -1 0 337.347 3.465 20 30 EGEDRM CC=C(C)C(=O)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000089969931 1292782483 /nfs/dbraw/zinc/78/24/83/1292782483.db2.gz UDCOYNDCTHQSRA-CLTKARDFSA-N -1 0 325.283 3.456 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)C2(Cc3ccccc3)CC2)cc1 ZINC000092693387 1292883818 /nfs/dbraw/zinc/88/38/18/1292883818.db2.gz FHFDMUPVKHUZRQ-UHFFFAOYSA-N -1 0 340.404 3.226 20 30 EGEDRM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2cscn2)cc1 ZINC000103330128 1293002424 /nfs/dbraw/zinc/00/24/24/1293002424.db2.gz NOOJLCTTWCPHIQ-AWEZNQCLSA-N -1 0 327.409 3.447 20 30 EGEDRM N#CC(=C([O-])C=CC1CCOCC1)c1nc(-c2ccncc2)cs1 ZINC000114619669 1293173339 /nfs/dbraw/zinc/17/33/39/1293173339.db2.gz UNGOFDGHNQLFKI-BGTMTDRBSA-N -1 0 339.420 3.364 20 30 EGEDRM CC(C)(C)OC(=O)N[C@@H](CN=Nc1ccccc1C(=O)[O-])CC1CC1 ZINC000834934638 1293177567 /nfs/dbraw/zinc/17/75/67/1293177567.db2.gz GEFYHASZTBFZTR-CYBMUJFWSA-N -1 0 347.415 3.476 20 30 EGEDRM CC(=O)N(c1nc(/C=C/C(=O)c2ccc([O-])c(F)c2)cs1)C1CC1 ZINC000114991683 1293181115 /nfs/dbraw/zinc/18/11/15/1293181115.db2.gz UAGVWMOTNJDJOO-XVNBXDOJSA-N -1 0 346.383 3.399 20 30 EGEDRM CCOC(=O)C[C@@H]1CCCCC1N=Nc1ccc(C(=O)[O-])c(F)c1 ZINC000835008312 1293186601 /nfs/dbraw/zinc/18/66/01/1293186601.db2.gz FGXGJKHQPPBEKD-NSHDSACASA-N -1 0 336.363 3.435 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cccc(C(F)(F)F)n1 ZINC000835057278 1293195185 /nfs/dbraw/zinc/19/51/85/1293195185.db2.gz NDPSQHXJJMRNFW-NSHDSACASA-N -1 0 341.333 3.119 20 30 EGEDRM C=CCC1(C(=O)[N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)CCCC1 ZINC000835336859 1293266486 /nfs/dbraw/zinc/26/64/86/1293266486.db2.gz MAAMEIUKDVSGNI-UHFFFAOYSA-N -1 0 339.432 3.384 20 30 EGEDRM C=CCOc1cccc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000120124290 1293305968 /nfs/dbraw/zinc/30/59/68/1293305968.db2.gz SXUHCACDDSSNEE-UHFFFAOYSA-N -1 0 340.382 3.022 20 30 EGEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(COc2ccccc2)cc1 ZINC000124466396 1293476030 /nfs/dbraw/zinc/47/60/30/1293476030.db2.gz PZSIOHDEEQSWCA-IBGZPJMESA-N -1 0 348.402 3.210 20 30 EGEDRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(N(C)C)ccc2C#N)c1 ZINC000124768289 1293485427 /nfs/dbraw/zinc/48/54/27/1293485427.db2.gz UBMLOOWXVNMNNI-UHFFFAOYSA-N -1 0 349.843 3.387 20 30 EGEDRM C#Cc1cccc([N-]S(=O)(=O)c2cc(C(C)=O)ccc2Cl)c1 ZINC000130489605 1293658391 /nfs/dbraw/zinc/65/83/91/1293658391.db2.gz GGYHGZAUOWLPOH-UHFFFAOYSA-N -1 0 333.796 3.325 20 30 EGEDRM C=C[C@@H](CC(=O)[N-]S(=O)(=O)c1ccccc1C)c1ccccc1 ZINC000135964361 1293804956 /nfs/dbraw/zinc/80/49/56/1293804956.db2.gz KYZZAYAXETZECC-HNNXBMFYSA-N -1 0 329.421 3.160 20 30 EGEDRM COc1ccc(/C=C/C(=O)c2ccc([O-])c([N+](=O)[O-])c2)c(OC)c1 ZINC000136496281 1293817285 /nfs/dbraw/zinc/81/72/85/1293817285.db2.gz SHIORCRXEIMBMF-QPJJXVBHSA-N -1 0 329.308 3.214 20 30 EGEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(Cl)c(C(F)(F)F)c1 ZINC000156428745 1294143599 /nfs/dbraw/zinc/14/35/99/1294143599.db2.gz LQEWXBLHQCQQLY-JTQLQIEISA-N -1 0 344.720 3.304 20 30 EGEDRM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2O)s1 ZINC000161457906 1294293316 /nfs/dbraw/zinc/29/33/16/1294293316.db2.gz QMHSUIKTJGRNJN-UHFFFAOYSA-N -1 0 336.438 3.424 20 30 EGEDRM C=CCCC(=O)[N-]S(=O)(=O)c1ccc(OCC)c2ccccc21 ZINC000174697203 1294517292 /nfs/dbraw/zinc/51/72/92/1294517292.db2.gz NRTAZJSNBWCKOY-UHFFFAOYSA-N -1 0 333.409 3.010 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(O[C@H](C)CC)cc1 ZINC000175096506 1294539433 /nfs/dbraw/zinc/53/94/33/1294539433.db2.gz FBAGJLAVHGUULW-PBHICJAKSA-N -1 0 330.428 3.493 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)C(=O)NC2CC2)c(C)n1-c1cc(C)cc(C)c1 ZINC000175110693 1294540129 /nfs/dbraw/zinc/54/01/29/1294540129.db2.gz CMGANSJVDVTLPB-IBGZPJMESA-N -1 0 349.434 3.312 20 30 EGEDRM N#Cc1ccc(O)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000175685692 1294568975 /nfs/dbraw/zinc/56/89/75/1294568975.db2.gz UIPUKDYYHNPGNH-UHFFFAOYSA-N -1 0 342.298 3.083 20 30 EGEDRM N#Cc1ccc(/C=C(\C(=O)C(=O)[O-])c2ccc3ccccc3n2)s1 ZINC000176400738 1294603156 /nfs/dbraw/zinc/60/31/56/1294603156.db2.gz JFOSYCXXBAPRPI-ZROIWOOFSA-N -1 0 334.356 3.362 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)c2ccc(Br)cc2F)c1 ZINC000176828550 1294636748 /nfs/dbraw/zinc/63/67/48/1294636748.db2.gz BUFONVZQFPNOAL-UHFFFAOYSA-N -1 0 335.132 3.418 20 30 EGEDRM CCCCCCCC(=O)[N-]S(=O)(=O)Cc1cccc(OC)c1 ZINC000181996284 1295012198 /nfs/dbraw/zinc/01/21/98/1295012198.db2.gz LLIKLOQAEPMZGD-UHFFFAOYSA-N -1 0 327.446 3.002 20 30 EGEDRM C#CCOc1ccccc1[N-]S(=O)(=O)c1ccc(SC)cc1 ZINC000187085972 1295367233 /nfs/dbraw/zinc/36/72/33/1295367233.db2.gz DIGFDRKTPGPXHN-UHFFFAOYSA-N -1 0 333.434 3.221 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)C[C@@H](C)c1ccccc1C(F)(F)F ZINC000191267707 1295664208 /nfs/dbraw/zinc/66/42/08/1295664208.db2.gz DUXJESXFQFSOIZ-LLVKDONJSA-N -1 0 329.318 3.298 20 30 EGEDRM C=CCC1(C(=O)[N-]S(=O)(=O)c2ccc3ccccc3c2)CCC1 ZINC000192184244 1295742389 /nfs/dbraw/zinc/74/23/89/1295742389.db2.gz IJQNOYFTHKIJON-UHFFFAOYSA-N -1 0 329.421 3.391 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc2[nH]c(C)c(C)c2c1 ZINC000193371108 1295857577 /nfs/dbraw/zinc/85/75/77/1295857577.db2.gz FMNOTXGPGSQYNN-MRXNPFEDSA-N -1 0 325.412 3.414 20 30 EGEDRM CCCOc1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc1C ZINC000871653871 1296469613 /nfs/dbraw/zinc/46/96/13/1296469613.db2.gz DPWCUQAODUCIJS-LZCIBIBXSA-N -1 0 328.364 3.012 20 30 EGEDRM CCCOc1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc1C ZINC000871653873 1296469724 /nfs/dbraw/zinc/46/97/24/1296469724.db2.gz DPWCUQAODUCIJS-YEODSOHDSA-N -1 0 328.364 3.012 20 30 EGEDRM C=C[C@@H](CC(=O)[N-]S(=O)(=O)/C=C\c1ccccc1)c1ccccc1 ZINC000254942177 1296481406 /nfs/dbraw/zinc/48/14/06/1296481406.db2.gz HVHCCODHILYUOS-NJWFCXLTSA-N -1 0 341.432 3.463 20 30 EGEDRM O=[N+]([O-])c1cc(Cl)cc(C=Nc2cccc(-n3ccnn3)c2)c1[O-] ZINC000255118683 1296500606 /nfs/dbraw/zinc/50/06/06/1296500606.db2.gz WPVATJMBGVNHTK-UHFFFAOYSA-N -1 0 343.730 3.285 20 30 EGEDRM COc1ccc(-c2n[nH]cc2C=CC(=O)c2ccc(O)cc2[O-])cc1 ZINC000255164795 1296505745 /nfs/dbraw/zinc/50/57/45/1296505745.db2.gz FMUVHXIGUBIXEC-WTKPLQERSA-N -1 0 336.347 3.393 20 30 EGEDRM Cc1cccc([C@@H](O)C/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])c1 ZINC000255830745 1296569745 /nfs/dbraw/zinc/56/97/45/1296569745.db2.gz GUDLSKUGIUCHKG-VHXYRJIDSA-N -1 0 334.759 3.415 20 30 EGEDRM C=CCC[C@H](NC(=O)C1(c2ccc(OC)cc2)CCCC1)C(=O)[O-] ZINC000262907143 1296651757 /nfs/dbraw/zinc/65/17/57/1296651757.db2.gz MVYJISAYPUDFFM-INIZCTEOSA-N -1 0 331.412 3.043 20 30 EGEDRM C=CCC[C@@H](NC(=O)CCSc1ccc(Cl)cc1)C(=O)[O-] ZINC000262982499 1296654294 /nfs/dbraw/zinc/65/42/94/1296654294.db2.gz UNEVBRIGLSKAHO-CYBMUJFWSA-N -1 0 327.833 3.358 20 30 EGEDRM C=CCC[C@@H](NC(=O)[C@H](F)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000263524233 1296688608 /nfs/dbraw/zinc/68/86/08/1296688608.db2.gz IWTZLWGMIGUAMC-VXGBXAGGSA-N -1 0 333.281 3.252 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])c(/C=N/C[C@H](O)c2ccc(Cl)c(F)c2)c1 ZINC000305673682 1297021757 /nfs/dbraw/zinc/02/17/57/1297021757.db2.gz KGHOUBAVZQISLL-CRIIERLBSA-N -1 0 338.722 3.245 20 30 EGEDRM CC#CCCCC(=O)[N-]S(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000873582634 1297608995 /nfs/dbraw/zinc/60/89/95/1297608995.db2.gz OTGYVDMVVFCAAW-UHFFFAOYSA-N -1 0 348.251 3.133 20 30 EGEDRM CC(C)Oc1ccc(C(=O)[O-])cc1C(=O)/C=C\c1cn(C(C)C)nn1 ZINC000876498224 1298794748 /nfs/dbraw/zinc/79/47/48/1298794748.db2.gz RWTKXRZRZODQAV-SREVYHEPSA-N -1 0 343.383 3.241 20 30 EGEDRM O=c1c2ccccc2[n-]c(=S)n1N=CC=Cc1ccc(F)cc1 ZINC000747750614 1298853744 /nfs/dbraw/zinc/85/37/44/1298853744.db2.gz BVCMDAWEIWEGFB-KMMPQYOHSA-N -1 0 325.368 3.372 20 30 EGEDRM N#Cc1csc(/C=C(\C(=O)C(=O)[O-])c2ccc3ccccc3n2)c1 ZINC000748438931 1299008563 /nfs/dbraw/zinc/00/85/63/1299008563.db2.gz HTTYGOZUMTZUHV-ZSOIEALJSA-N -1 0 334.356 3.362 20 30 EGEDRM COc1ccc2c(c1)O/C(=C/c1cccc(O[C@H](C)C(=O)[O-])c1)C2=O ZINC000749133422 1299149937 /nfs/dbraw/zinc/14/99/37/1299149937.db2.gz ZIXIGVKUKHNFKS-LBFZPMSMSA-N -1 0 340.331 3.163 20 30 EGEDRM O=C(/C=C/c1cnc2ccc(Cl)cn12)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000749591258 1299241694 /nfs/dbraw/zinc/24/16/94/1299241694.db2.gz VCNOWVMAMGSKHN-HWKANZROSA-N -1 0 343.726 3.498 20 30 EGEDRM Cc1ccc(C2N=NC(=S)N2N=Cc2cc(F)c([O-])c(F)c2)cc1 ZINC000749858711 1299286725 /nfs/dbraw/zinc/28/67/25/1299286725.db2.gz NVWVKEJOGDVFMB-UHFFFAOYSA-N -1 0 346.362 3.408 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2cc(Cl)ccc2C)n1 ZINC000753447451 1299936422 /nfs/dbraw/zinc/93/64/22/1299936422.db2.gz NNLXJXADVKSERZ-ZDUSSCGKSA-N -1 0 348.811 3.447 20 30 EGEDRM Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)C(C#N)=C([O-])c1nccn1C ZINC000753993618 1300059708 /nfs/dbraw/zinc/05/97/08/1300059708.db2.gz GMJFIEIHQSVFQM-YCPHGPKFSA-N -1 0 335.407 3.301 20 30 EGEDRM Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)C(C#N)=C([O-])c1nccn1C ZINC000753993603 1300060595 /nfs/dbraw/zinc/06/05/95/1300060595.db2.gz GMJFIEIHQSVFQM-FMKPAKJESA-N -1 0 335.407 3.301 20 30 EGEDRM COC(=O)[C@@H](CC1CCCCC1)/N=C\c1cc([N+](=O)[O-])ccc1[O-] ZINC000754827492 1300223679 /nfs/dbraw/zinc/22/36/79/1300223679.db2.gz MJAUOMLTAQUGDA-JQFNYASXSA-N -1 0 334.372 3.231 20 30 EGEDRM CCC(CC)NN=Cc1cc(C(F)(F)F)ccc1N(C)CC(=O)[O-] ZINC000755729678 1300386829 /nfs/dbraw/zinc/38/68/29/1300386829.db2.gz BOPJQCJPAGNKBQ-UHFFFAOYSA-N -1 0 345.365 3.338 20 30 EGEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1ccc([C@@H](C)CC)cc1 ZINC000756222559 1300453949 /nfs/dbraw/zinc/45/39/49/1300453949.db2.gz DQQLHTICGDFFFW-WMLDXEAASA-N -1 0 330.428 3.065 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1NN=C(C)c1cccc([N+](=O)[O-])c1C ZINC000756898848 1300585581 /nfs/dbraw/zinc/58/55/81/1300585581.db2.gz DLTHYSWGFBKJJS-UHFFFAOYSA-N -1 0 343.339 3.446 20 30 EGEDRM O=C(C=Cc1c[nH]nc1-c1ccc2c(c1)OCO2)c1ccccc1[O-] ZINC000757476657 1300677210 /nfs/dbraw/zinc/67/72/10/1300677210.db2.gz YDCPTVQHZBDMSL-FNORWQNLSA-N -1 0 334.331 3.407 20 30 EGEDRM COC(=O)c1cccc(C/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])c1 ZINC000757526788 1300680903 /nfs/dbraw/zinc/68/09/03/1300680903.db2.gz MUEYOOGGCZBFLQ-NVMNQCDNSA-N -1 0 348.742 3.360 20 30 EGEDRM C#CC[C@@H](NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-])c1ccccc1 ZINC000757925715 1300759575 /nfs/dbraw/zinc/75/95/75/1300759575.db2.gz RJLXQPAQMDEWEU-QGZVFWFLSA-N -1 0 349.365 3.211 20 30 EGEDRM CC(=NNCc1cnc2ccccc2c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000758117577 1300789829 /nfs/dbraw/zinc/78/98/29/1300789829.db2.gz LWRRAPPSRMLQRE-UHFFFAOYSA-N -1 0 336.351 3.362 20 30 EGEDRM O=C([O-])Cn1cc(/C=C\C(=O)c2cc3c(ccc4ccccc34)o2)nn1 ZINC000759074743 1301010055 /nfs/dbraw/zinc/01/00/55/1301010055.db2.gz HWQGFAJUZXBDEV-SREVYHEPSA-N -1 0 347.330 3.158 20 30 EGEDRM O=C([O-])Cn1cc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)nn1 ZINC000759074472 1301010199 /nfs/dbraw/zinc/01/01/99/1301010199.db2.gz WWBINUZKMXKBIN-DHZHZOJOSA-N -1 0 349.346 3.051 20 30 EGEDRM C=CCCCC(=O)C(C#N)=C([O-])c1c(C)[nH]c(C)c1C(=O)OCC ZINC000759241719 1301047519 /nfs/dbraw/zinc/04/75/19/1301047519.db2.gz XKHGOBNEEPQLBO-CYBMUJFWSA-N -1 0 330.384 3.056 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)c2ccc(CN3CCCCC3=O)cc2)c1 ZINC000759720476 1301148169 /nfs/dbraw/zinc/14/81/69/1301148169.db2.gz HLMOQBINVGTCSG-UHFFFAOYSA-N -1 0 349.390 3.029 20 30 EGEDRM Cc1nnc(NN=C2CCCc3c(Cl)sc(Cl)c32)[n-]c1=O ZINC000760234546 1301237483 /nfs/dbraw/zinc/23/74/83/1301237483.db2.gz HGQXNHMIQJFDTG-UHFFFAOYSA-N -1 0 344.227 3.406 20 30 EGEDRM COc1cc(F)ccc1NN=Cc1cccc(OCCC(=O)[O-])c1 ZINC000761884553 1301560573 /nfs/dbraw/zinc/56/05/73/1301560573.db2.gz JLPYYUZRNPFXHS-UHFFFAOYSA-N -1 0 332.331 3.134 20 30 EGEDRM CC1(C)OCc2cc(C=NNc3ccc(C(=O)[O-])cc3)ccc2O1 ZINC000766007785 1302368312 /nfs/dbraw/zinc/36/83/12/1302368312.db2.gz BMMYRMAIBLEAMB-UHFFFAOYSA-N -1 0 326.352 3.476 20 30 EGEDRM CCCCCCCCCC(=O)[N-]S(=O)(=O)c1cn(C(C)C)cn1 ZINC000767506687 1302696420 /nfs/dbraw/zinc/69/64/20/1302696420.db2.gz JTMVWHBBVUTSAB-UHFFFAOYSA-N -1 0 343.493 3.410 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2ccc(Cl)cc2C)n1 ZINC000767577806 1302713777 /nfs/dbraw/zinc/71/37/77/1302713777.db2.gz QOEMPOGIZAHNSR-ZDUSSCGKSA-N -1 0 348.811 3.447 20 30 EGEDRM [O-]c1c(F)cc(C=NNc2ccnc(Br)c2)cc1F ZINC000769810326 1303178312 /nfs/dbraw/zinc/17/83/12/1303178312.db2.gz LPMPWZAZFCRCCS-UHFFFAOYSA-N -1 0 328.116 3.274 20 30 EGEDRM COc1ccc(C(=O)/C=C\c2ccc([N+](=O)[O-])c(OC)c2)c([O-])c1 ZINC000770571908 1303286736 /nfs/dbraw/zinc/28/67/36/1303286736.db2.gz JTTSDPNZTCHQRO-YWEYNIOJSA-N -1 0 329.308 3.214 20 30 EGEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc2c(c1)-c1ccccc1C2 ZINC000770876592 1303323994 /nfs/dbraw/zinc/32/39/94/1303323994.db2.gz NSCIUGGJAULHQK-GOSISDBHSA-N -1 0 341.370 3.197 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(OC)c(C2CC2)c1 ZINC000774042795 1303767352 /nfs/dbraw/zinc/76/73/52/1303767352.db2.gz KLGSXIXDKGATGI-MRXNPFEDSA-N -1 0 328.412 3.201 20 30 EGEDRM CCCCCCCC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1cnccn1 ZINC000775256108 1303930438 /nfs/dbraw/zinc/93/04/38/1303930438.db2.gz VKSANQHYPANVPP-CQSZACIVSA-N -1 0 341.477 3.058 20 30 EGEDRM C#CCCCCCC(=O)[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000780292581 1304672526 /nfs/dbraw/zinc/67/25/26/1304672526.db2.gz MCXALOHGQWVHDN-UHFFFAOYSA-N -1 0 347.358 3.094 20 30 EGEDRM C#CC[C@@H](NC(=O)N1CCc2ccccc2[C@H]1C(=O)[O-])c1ccccc1 ZINC000780697763 1304726140 /nfs/dbraw/zinc/72/61/40/1304726140.db2.gz QRUDIGCWTADZJB-MOPGFXCFSA-N -1 0 348.402 3.145 20 30 EGEDRM C=C[C@@H](C)OC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000781576801 1304844032 /nfs/dbraw/zinc/84/40/32/1304844032.db2.gz OOLDPPFUWODVBH-GFCCVEGCSA-N -1 0 349.383 3.358 20 30 EGEDRM N#Cc1cc(Cl)c(C(=O)[N-]N2Cc3ccccc3C2=O)c(Cl)c1 ZINC000782069654 1304911396 /nfs/dbraw/zinc/91/13/96/1304911396.db2.gz MPMYVZREPZGNAZ-UHFFFAOYSA-N -1 0 346.173 3.166 20 30 EGEDRM COC(=O)COc1ccc(/C=C/C(=O)c2ccc(O)c(C)c2)cc1 ZINC000782192449 1304928289 /nfs/dbraw/zinc/92/82/89/1304928289.db2.gz WVIULEAAXOWTTJ-WEVVVXLNSA-N -1 0 326.348 3.149 20 30 EGEDRM COc1cc(C)cc2c1OC/C(=C\c1cc(C(=O)[O-])cs1)C2=O ZINC000782199541 1304930285 /nfs/dbraw/zinc/93/02/85/1304930285.db2.gz GTQYPAHIFGAYGY-BJMVGYQFSA-N -1 0 330.361 3.422 20 30 EGEDRM Cc1c(C(=O)/C=C/c2cc(C(=O)[O-])cs2)nnn1-c1ccccc1 ZINC000782199116 1304930332 /nfs/dbraw/zinc/93/03/32/1304930332.db2.gz BKTRQWYPYZOJEW-BQYQJAHWSA-N -1 0 339.376 3.232 20 30 EGEDRM O=C([O-])COc1cccc(C(=O)/C=C/c2scnc2C2CC2)c1 ZINC000782306141 1304951534 /nfs/dbraw/zinc/95/15/34/1304951534.db2.gz KNCPNDWWTHTDRQ-VOTSOKGWSA-N -1 0 329.377 3.380 20 30 EGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@@H]1CCC(=O)[C@H](C)C1 ZINC000783340946 1305082125 /nfs/dbraw/zinc/08/21/25/1305082125.db2.gz LHGOUJLFJPTARK-UXIGCNINSA-N -1 0 336.391 3.373 20 30 EGEDRM CC(=NNCCOC(C)C)c1cc(Br)cc(F)c1[O-] ZINC000783863248 1305153696 /nfs/dbraw/zinc/15/36/96/1305153696.db2.gz QQPYYVHQYVRHPL-UHFFFAOYSA-N -1 0 333.201 3.032 20 30 EGEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)C(C)(C)C(C)C ZINC000784491661 1305250925 /nfs/dbraw/zinc/25/09/25/1305250925.db2.gz GMSXAEHCSROTFU-CYBMUJFWSA-N -1 0 346.427 3.382 20 30 EGEDRM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc(C4CC4)nc3C)nc1-2 ZINC000892741266 1305531999 /nfs/dbraw/zinc/53/19/99/1305531999.db2.gz RPHWIORFMHZQRD-CQSZACIVSA-N -1 0 331.379 3.337 20 30 EGEDRM N#CC(C(=O)NCc1cccc(Cl)c1)=C([O-])c1cccc(F)c1 ZINC000786541061 1305593955 /nfs/dbraw/zinc/59/39/55/1305593955.db2.gz VPQLQNRRRPOIMR-HNNXBMFYSA-N -1 0 330.746 3.118 20 30 EGEDRM CCc1ccsc1C([O-])=C(C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC000786573058 1305602885 /nfs/dbraw/zinc/60/28/85/1305602885.db2.gz ZAQFDQVWLCONLF-LBPRGKRZSA-N -1 0 348.374 3.228 20 30 EGEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1cnn(C(C)C)c1)c1ccccc1 ZINC000787034126 1305678636 /nfs/dbraw/zinc/67/86/36/1305678636.db2.gz JPVFARXXQVUPME-IAGOWNOFSA-N -1 0 338.411 3.054 20 30 EGEDRM O=c1c2ccccc2[n-]c(=S)n1N=Cc1c(O)ccc(Cl)c1F ZINC000790156074 1306269591 /nfs/dbraw/zinc/26/95/91/1306269591.db2.gz XOTZKWAREHEYFE-UHFFFAOYSA-N -1 0 349.774 3.066 20 30 EGEDRM CC(N=Nc1cccc(F)c1[N+](=O)[O-])c1ccc(CC(=O)[O-])cc1 ZINC000790310475 1306298533 /nfs/dbraw/zinc/29/85/33/1306298533.db2.gz ILYRKIGLDCXVEX-UHFFFAOYSA-N -1 0 331.303 3.197 20 30 EGEDRM CC(C)(C)n1ncc2c1nc(N=NC1CCC3(CC3)CC1)[n-]c2=O ZINC000792633497 1309200483 /nfs/dbraw/zinc/20/04/83/1309200483.db2.gz JSZZVUJFCVSHQW-UHFFFAOYSA-N -1 0 328.420 3.409 20 30 EGEDRM CC[C@@H](NN=Cc1ccc(OCc2ccccc2F)cc1)C(=O)[O-] ZINC000793077694 1309292009 /nfs/dbraw/zinc/29/20/09/1309292009.db2.gz GTPOCTNZOGPNMF-QGZVFWFLSA-N -1 0 330.359 3.191 20 30 EGEDRM CC[C@@H](C)CON=Cc1ccc(OCC(=O)[O-])c(Br)c1 ZINC000793159331 1309307477 /nfs/dbraw/zinc/30/74/77/1309307477.db2.gz NHLSEBIIIZJYEG-SNVBAGLBSA-N -1 0 344.205 3.309 20 30 EGEDRM COCCCON=Cc1cccc(OCc2ccccc2C(=O)[O-])c1 ZINC000795053554 1309659391 /nfs/dbraw/zinc/65/93/91/1309659391.db2.gz RDCDGECCCLRAQP-UHFFFAOYSA-N -1 0 343.379 3.351 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000797734637 1310238750 /nfs/dbraw/zinc/23/87/50/1310238750.db2.gz PPUCUPXVPNGAPB-UHFFFAOYSA-N -1 0 334.706 3.046 20 30 EGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)c1cc(C#N)oc1C ZINC000797938920 1310273477 /nfs/dbraw/zinc/27/34/77/1310273477.db2.gz PAYYOGFHZXGFKQ-OAHLLOKOSA-N -1 0 331.331 3.455 20 30 EGEDRM C=C[C@@H](CC(=O)[N-]S(=O)(=O)Cc1ccccc1C)c1ccccc1 ZINC000798898357 1310456099 /nfs/dbraw/zinc/45/60/99/1310456099.db2.gz JDBQIMWQWYFSHY-INIZCTEOSA-N -1 0 343.448 3.301 20 30 EGEDRM Cc1ccc(/C=C2\S/C(=N/C3CCCC3)NC2=O)cc1C(=O)[O-] ZINC000899341063 1316996550 /nfs/dbraw/zinc/99/65/50/1316996550.db2.gz SILJDHQOZLIIJY-ZROIWOOFSA-N -1 0 330.409 3.196 20 30 EGEDRM O=C(/C=C\c1cnn(CC2CCC2)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000899363300 1317000992 /nfs/dbraw/zinc/00/09/92/1317000992.db2.gz AUBZQKLRDZZJKT-XQRVVYSFSA-N -1 0 327.340 3.193 20 30 EGEDRM C=CCOc1cccc(NC(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C(=O)[O-])c1 ZINC000899766524 1317150150 /nfs/dbraw/zinc/15/01/50/1317150150.db2.gz UCNDIMWEAOIOKY-HAELCTKSSA-N -1 0 327.380 3.103 20 30 EGEDRM CC(C)n1cncc1/C=C/C(=O)c1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000901468886 1317432559 /nfs/dbraw/zinc/43/25/59/1317432559.db2.gz OYGYHAZHRODQEV-GWJCSSMESA-N -1 0 328.368 3.212 20 30 EGEDRM CCCn1nc(C)c(/C=C2/CCc3occ(C(=O)[O-])c3C2=O)c1C ZINC000901516230 1317437451 /nfs/dbraw/zinc/43/74/51/1317437451.db2.gz SKXYLJRYTAADOE-WQLSENKSSA-N -1 0 328.368 3.414 20 30 EGEDRM Cc1cc(C#N)cc([N-]S(=O)(=O)c2cn(C)nc2C2CCCC2)c1 ZINC000901929969 1317498255 /nfs/dbraw/zinc/49/82/55/1317498255.db2.gz DMOVSDVEDHYAMR-UHFFFAOYSA-N -1 0 344.440 3.059 20 30 EGEDRM Cc1nn(C)c(/C=C\C(=O)c2cccc(C(=O)[O-])c2)c1Br ZINC000806559245 1317500780 /nfs/dbraw/zinc/50/07/80/1317500780.db2.gz XPIWXCZATSGJHT-SREVYHEPSA-N -1 0 349.184 3.085 20 30 EGEDRM Cc1cccn2c(/C=C3/C[C@@H](C(=O)[O-])c4ccccc4C3=O)cnc12 ZINC000806562307 1317501905 /nfs/dbraw/zinc/50/19/05/1317501905.db2.gz IHRWFGFUVVSZLN-HOFZKYPUSA-N -1 0 332.359 3.481 20 30 EGEDRM O=C([O-])CCOc1cccc(/C=C2/Cc3nc(Cl)ccc3C2=O)c1 ZINC000806579300 1317505959 /nfs/dbraw/zinc/50/59/59/1317505959.db2.gz BXONGFGIGNISRB-WQLSENKSSA-N -1 0 343.766 3.411 20 30 EGEDRM COc1ccc(-c2nc(SCCOC3CC3)[n-]c(=O)c2C#N)cc1 ZINC000902189545 1317540215 /nfs/dbraw/zinc/54/02/15/1317540215.db2.gz BFUPHUHXLGRCAY-UHFFFAOYSA-N -1 0 343.408 3.001 20 30 EGEDRM CC(=NNc1ccc([N+](=O)[O-])cc1C)c1cc(C(=O)[O-])ccc1O ZINC000807991032 1317608775 /nfs/dbraw/zinc/60/87/75/1317608775.db2.gz QPPVXHMEAIDUTJ-UHFFFAOYSA-N -1 0 329.312 3.143 20 30 EGEDRM CC(C)(C)c1[n-]n(CC[C@H](O)c2ccccc2)c(=O)c1CCC#N ZINC000808258960 1317653244 /nfs/dbraw/zinc/65/32/44/1317653244.db2.gz CSMCYEZVFIDUFV-INIZCTEOSA-N -1 0 327.428 3.466 20 30 EGEDRM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1ocnc1C1CC1 ZINC000808980209 1317755802 /nfs/dbraw/zinc/75/58/02/1317755802.db2.gz WKXYCBBWEHKDHI-SNVBAGLBSA-N -1 0 329.743 3.167 20 30 EGEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1cc2cc(C)ccc2s1 ZINC000810526304 1318017287 /nfs/dbraw/zinc/01/72/87/1318017287.db2.gz BIOHMDMLVWVKTL-CQSZACIVSA-N -1 0 344.436 3.075 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)/C(C)=C/c2ccccc2Cl)CC1 ZINC000810981113 1318086029 /nfs/dbraw/zinc/08/60/29/1318086029.db2.gz MHIGYRXDWIBEGK-VAWYXSNFSA-N -1 0 339.844 3.298 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)/C=C(/C)c2ccccc2Cl)CC1 ZINC000810987086 1318088226 /nfs/dbraw/zinc/08/82/26/1318088226.db2.gz XVKRKUDLIHIJSH-QXMHVHEDSA-N -1 0 339.844 3.298 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2ncsc2C(C)C)n1 ZINC000811264670 1318137717 /nfs/dbraw/zinc/13/77/17/1318137717.db2.gz JWMVPKDBAQGHAZ-SNVBAGLBSA-N -1 0 349.437 3.065 20 30 EGEDRM O=C([O-])c1ccc2c(c1)CCCCC2N=Nc1ncncc1Cl ZINC000811648377 1318219567 /nfs/dbraw/zinc/21/95/67/1318219567.db2.gz JGNPVNFIPPNINC-UHFFFAOYSA-N -1 0 330.775 3.371 20 30 EGEDRM C=CCSc1ccccc1C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000908649997 1318380835 /nfs/dbraw/zinc/38/08/35/1318380835.db2.gz GTXLAOYCAGKGLL-AWEZNQCLSA-N -1 0 331.437 3.292 20 30 EGEDRM C=CCC(C)(C)C(=O)NC[C@@H](Cc1ccc(OCC)cc1)C(=O)[O-] ZINC000909171132 1318445406 /nfs/dbraw/zinc/44/54/06/1318445406.db2.gz BWFCUJWXSAKHSH-OAHLLOKOSA-N -1 0 333.428 3.047 20 30 EGEDRM COC[C@H](C)[C@H](C)C(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21 ZINC000813058467 1318492829 /nfs/dbraw/zinc/49/28/29/1318492829.db2.gz YGOXUOOTLOWSPI-HUBLWGQQSA-N -1 0 326.396 3.287 20 30 EGEDRM C#CCC1(C(=O)NC[C@@H](C(=O)[O-])c2ccc(F)cc2)CCCCC1 ZINC000909702291 1318517476 /nfs/dbraw/zinc/51/74/76/1318517476.db2.gz HCDBNRZUWKRSJH-MRXNPFEDSA-N -1 0 331.387 3.084 20 30 EGEDRM C#Cc1cccc(N(CC)C(=O)c2nn(-c3ccccc3)cc2[O-])c1 ZINC000813439374 1318564581 /nfs/dbraw/zinc/56/45/81/1318564581.db2.gz RKCUFEVTTZREPO-UHFFFAOYSA-N -1 0 331.375 3.226 20 30 EGEDRM O=C(/C=C/c1cc([O-])ccc1[N+](=O)[O-])c1cc([N+](=O)[O-])ccc1F ZINC000814190110 1318694318 /nfs/dbraw/zinc/69/43/18/1318694318.db2.gz BZSKIQXSNRHPPD-LZCJLJQNSA-N -1 0 332.243 3.244 20 30 EGEDRM Cc1cc(C=Nn2c(=O)[n-][nH]c2=O)c(C)n1-c1ccc(C(C)C)cc1 ZINC000814232806 1318707155 /nfs/dbraw/zinc/70/71/55/1318707155.db2.gz MVQXNJQMCXCYQA-UHFFFAOYSA-N -1 0 339.399 3.102 20 30 EGEDRM C=C[C@H](CC(=O)N[C@](C)(CC(=O)[O-])c1ccncc1)c1ccccc1 ZINC000911625612 1318754528 /nfs/dbraw/zinc/75/45/28/1318754528.db2.gz TVOTTZZAGRZJJP-FOIQADDNSA-N -1 0 338.407 3.248 20 30 EGEDRM CC(N=Nc1ccc(Cl)nn1)c1cccc(OCCCC(=O)[O-])c1 ZINC000814698266 1318801063 /nfs/dbraw/zinc/80/10/63/1318801063.db2.gz XEWIEENZNFIYMO-UHFFFAOYSA-N -1 0 348.790 3.210 20 30 EGEDRM C[C@@H]1C(=NNC(=S)Nc2ccccc2)CC[C@@H](C(=O)[O-])C1(C)C ZINC000814714184 1318802892 /nfs/dbraw/zinc/80/28/92/1318802892.db2.gz VJAYVORYNWXPOM-YPMHNXCESA-N -1 0 333.457 3.486 20 30 EGEDRM C[C@@H]1C[C@H](C(=O)[O-])CCC1=NNC(=S)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000814758502 1318811167 /nfs/dbraw/zinc/81/11/67/1318811167.db2.gz BOMKMDYRVDFFHP-GGAZOKNXSA-N -1 0 339.505 3.152 20 30 EGEDRM CC(=NNc1ccnc2ccccc21)c1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000814841231 1318829704 /nfs/dbraw/zinc/82/97/04/1318829704.db2.gz HQHQBSOMDTYUGH-CQSZACIVSA-N -1 0 349.390 3.345 20 30 EGEDRM Cc1cc(N=NC(C)CCc2ccc(O[C@@H](C)C(=O)[O-])cc2)ncn1 ZINC000814846620 1318829975 /nfs/dbraw/zinc/82/99/75/1318829975.db2.gz VYFHXPDBCXNZCR-AWEZNQCLSA-N -1 0 342.399 3.058 20 30 EGEDRM COc1ccc(CCNN=C2CC[C@@H](C(=O)[O-])C(C)(C)[C@@H]2C)cc1 ZINC000814855544 1318831411 /nfs/dbraw/zinc/83/14/11/1318831411.db2.gz PGQWABREUYFRKI-CJNGLKHVSA-N -1 0 332.444 3.340 20 30 EGEDRM Cc1cccnc1N=NC(C)c1cccc(OCCCC(=O)[O-])c1 ZINC000814911392 1318847561 /nfs/dbraw/zinc/84/75/61/1318847561.db2.gz FNDCGHDTDBYLFA-UHFFFAOYSA-N -1 0 327.384 3.470 20 30 EGEDRM CC(N=Nc1ncccc1F)c1cccc(OCCCC(=O)[O-])c1 ZINC000814927418 1318852219 /nfs/dbraw/zinc/85/22/19/1318852219.db2.gz NPMOAXGQCSRSNI-UHFFFAOYSA-N -1 0 331.347 3.300 20 30 EGEDRM CC[C@H](NN=C(C)c1sc(-c2ccc(OC)cc2)nc1C)C(=O)[O-] ZINC000814937049 1318854782 /nfs/dbraw/zinc/85/47/82/1318854782.db2.gz SFQAZRSSRROHNS-AWEZNQCLSA-N -1 0 347.440 3.304 20 30 EGEDRM CCOc1ccc(NN=Cc2cccc(O[C@@H](C)C(=O)[O-])c2)cc1 ZINC000814983796 1318862445 /nfs/dbraw/zinc/86/24/45/1318862445.db2.gz FHJHZJQEJLEFBS-ZDUSSCGKSA-N -1 0 328.368 3.383 20 30 EGEDRM N#C[C@@H]([N-]C(=O)[C@H](F)C(F)(F)F)c1ccc(OC(F)(F)F)cc1 ZINC000815538068 1319011974 /nfs/dbraw/zinc/01/19/74/1319011974.db2.gz SMBYIDRYIMBVKK-BDAKNGLRSA-N -1 0 344.186 3.166 20 30 EGEDRM CCc1nc(C)c(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)o1 ZINC000815908189 1319072294 /nfs/dbraw/zinc/07/22/94/1319072294.db2.gz VIKUEHNPSGGTMQ-SNVBAGLBSA-N -1 0 331.759 3.160 20 30 EGEDRM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1ncoc1C1CC1 ZINC000815909243 1319072578 /nfs/dbraw/zinc/07/25/78/1319072578.db2.gz VPZHJAHZPZAFSM-JTQLQIEISA-N -1 0 347.733 3.306 20 30 EGEDRM CC(C)[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CCCCCC#N ZINC000816109772 1319103318 /nfs/dbraw/zinc/10/33/18/1319103318.db2.gz LLKZBAWVSVOKRU-QGZVFWFLSA-N -1 0 336.457 3.304 20 30 EGEDRM CC(C)[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1cc(C#N)cs1 ZINC000816110887 1319103429 /nfs/dbraw/zinc/10/34/29/1319103429.db2.gz LFJPRNPNLGESNE-HNNXBMFYSA-N -1 0 348.449 3.077 20 30 EGEDRM C#CCOc1ccc(C(=O)Nc2c(=O)[nH][n-]c2-c2ccccc2)cc1 ZINC000816752296 1319216331 /nfs/dbraw/zinc/21/63/31/1319216331.db2.gz XVBOLQRXEBEDKQ-UHFFFAOYSA-N -1 0 333.347 3.047 20 30 EGEDRM CCC(N=Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cn1)C(C)C ZINC000914699772 1319364045 /nfs/dbraw/zinc/36/40/45/1319364045.db2.gz FZAZSQIHJQDOLA-UHFFFAOYSA-N -1 0 347.444 3.111 20 30 EGEDRM CCCCC(C)N=Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cn1 ZINC000914700473 1319364164 /nfs/dbraw/zinc/36/41/64/1319364164.db2.gz UHXLTZWBIIYVDM-UHFFFAOYSA-N -1 0 347.444 3.255 20 30 EGEDRM CCOc1cc(/C=C\C(=O)c2cccc(OCC(=O)[O-])c2)ccc1O ZINC000916157819 1319611290 /nfs/dbraw/zinc/61/12/90/1319611290.db2.gz VWWYYABDSRYZQN-VURMDHGXSA-N -1 0 342.347 3.150 20 30 EGEDRM COc1ccc(CC(C)N=Nc2ccc(C(=O)[O-])cc2)cc1OC ZINC000916240658 1319623896 /nfs/dbraw/zinc/62/38/96/1319623896.db2.gz SNCYISBXLIHBFE-UHFFFAOYSA-N -1 0 328.368 3.433 20 30 EGEDRM CC(C)OCCCNC(=O)C(C#N)=C([O-])c1ccc(C(C)(C)C)cc1 ZINC000916870885 1319717800 /nfs/dbraw/zinc/71/78/00/1319717800.db2.gz NMMWSVUXJHGWRC-KRWDZBQOSA-N -1 0 344.455 3.238 20 30 EGEDRM CC(C)Oc1ccc(C([O-])=C(C#N)C(=O)NCc2ccccc2)cc1 ZINC000916886919 1319719813 /nfs/dbraw/zinc/71/98/13/1319719813.db2.gz QJJRHTCAUOTPGV-SFHVURJKSA-N -1 0 336.391 3.113 20 30 EGEDRM CNC(=O)C(C#N)=C([O-])c1sc2cccc(Cl)c2c1Cl ZINC000917002852 1319735983 /nfs/dbraw/zinc/73/59/83/1319735983.db2.gz VDHVDZZRMMVDQC-LURJTMIESA-N -1 0 327.192 3.277 20 30 EGEDRM CCCOc1cccc(C=Nn2c(=S)[n-]nc2C(F)(F)F)c1 ZINC000917533837 1319828625 /nfs/dbraw/zinc/82/86/25/1319828625.db2.gz AGZPDRMIVSNQDF-UHFFFAOYSA-N -1 0 330.335 3.257 20 30 EGEDRM C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000820281341 1319862211 /nfs/dbraw/zinc/86/22/11/1319862211.db2.gz HAKYNLXLVVSKQW-UHFFFAOYSA-N -1 0 333.812 3.195 20 30 EGEDRM O=C(/C=C\c1ccc([O-])c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1F ZINC000821008929 1319992452 /nfs/dbraw/zinc/99/24/52/1319992452.db2.gz UUPISMYIEPUURK-KTAJNNJTSA-N -1 0 332.243 3.244 20 30 EGEDRM C[NH+](C)Cc1cccc(C(=O)/C=C/c2ccc([N+](=O)[O-])c([O-])c2)c1 ZINC000821022267 1319994131 /nfs/dbraw/zinc/99/41/31/1319994131.db2.gz QCKUMMFFKWIGIF-VQHVLOKHSA-N -1 0 326.352 3.258 20 30 EGEDRM C=C(C)CO[N-]C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 ZINC000824028392 1320223431 /nfs/dbraw/zinc/22/34/31/1320223431.db2.gz GYWIGRRYADWOHY-CQSZACIVSA-N -1 0 332.400 3.149 20 30 EGEDRM COCCCON=Cc1cccc(O[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000842532913 1321400164 /nfs/dbraw/zinc/40/01/64/1321400164.db2.gz IDHHCLIKUPKUIT-SFHVURJKSA-N -1 0 343.379 3.278 20 30 EGEDRM CC(C)=CCC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000842676164 1321416392 /nfs/dbraw/zinc/41/63/92/1321416392.db2.gz SLIVCBJYFPOXQM-CQSZACIVSA-N -1 0 334.441 3.136 20 30 EGEDRM COC[C@](C)(C#N)[N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl ZINC000843566891 1321528606 /nfs/dbraw/zinc/52/86/06/1321528606.db2.gz LRMPZYHRQOZOPR-LBPRGKRZSA-N -1 0 337.153 3.130 20 30 EGEDRM C=C(C)CO[N-]C(=O)C(=O)Nc1ccc(SC(C)(C)C)c(F)c1 ZINC000846147463 1321771935 /nfs/dbraw/zinc/77/19/35/1321771935.db2.gz QVMZUTLFLLJZEX-UHFFFAOYSA-N -1 0 340.420 3.279 20 30 EGEDRM Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C\c1ccnn1CC1CC1)CC2 ZINC000849243633 1322100913 /nfs/dbraw/zinc/10/09/13/1322100913.db2.gz LXKOYBIIZRRPBG-WQLSENKSSA-N -1 0 326.352 3.105 20 30 EGEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1cccc(SC(F)(F)F)c1 ZINC000850753106 1322284512 /nfs/dbraw/zinc/28/45/12/1322284512.db2.gz WRJRJPXVKAJSSU-GFCCVEGCSA-N -1 0 342.342 3.243 20 30 EGEDRM C=CCCO[N-]C(=O)C1(c2cc(Br)ccc2OC)CC1 ZINC000856027435 1325439554 /nfs/dbraw/zinc/43/95/54/1325439554.db2.gz MCKDLEUPWQAYCM-UHFFFAOYSA-N -1 0 340.217 3.113 20 30 EGEDRM CCn1cc(C(=O)C(C#N)=C([O-])c2c(C)[nH]c3ccccc32)c(C)n1 ZINC000860451970 1329319094 /nfs/dbraw/zinc/31/90/94/1329319094.db2.gz QDKVPBWSZOAOHY-AWEZNQCLSA-N -1 0 334.379 3.207 20 30 EGEDRM CCOC(=O)c1[nH]c(C)c(/C=C\C(=O)c2ccc(O)c(OC)c2)c1C ZINC000863181306 1329532321 /nfs/dbraw/zinc/53/23/21/1329532321.db2.gz ZNCFQZFJFAVWSW-CLFYSBASSA-N -1 0 343.379 3.419 20 30 EGEDRM N#CC[C@H]1CCCN(Cc2cc(F)c([O-])c(Br)c2)C1 ZINC001232633279 1376493212 /nfs/dbraw/zinc/49/32/12/1376493212.db2.gz IOCQJLFCMJJKMJ-SNVBAGLBSA-N -1 0 327.197 3.419 20 30 EGEDRM O=C(CCC(=O)N(Cc1cccnc1)Cc1ccccn1)C1=CC=C[CH]1 ZINC001184244240 1387418606 /nfs/dbraw/zinc/41/86/06/1387418606.db2.gz RXSLTDKOHKVLHL-UHFFFAOYSA-N -1 0 346.410 3.055 20 30 EGEDRM Cc1cc(C)c(NC(=O)CCC(=O)C2=CC=C[CH]2)c(Br)n1 ZINC001184240873 1387418736 /nfs/dbraw/zinc/41/87/36/1387418736.db2.gz GQHBJVUHNXYFDO-UHFFFAOYSA-N -1 0 348.220 3.449 20 30 EGEDRM N#Cc1ccc(F)c(F)c1[N-]S(=O)(=O)Cc1cc(F)cc(F)c1 ZINC001185137870 1387625115 /nfs/dbraw/zinc/62/51/15/1387625115.db2.gz OHIKFXUSXDTBDY-UHFFFAOYSA-N -1 0 344.289 3.057 20 30 EGEDRM N#Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(-c2cnco2)cc1 ZINC001185227576 1387656908 /nfs/dbraw/zinc/65/69/08/1387656908.db2.gz PUWCEBQCYCOJFT-UHFFFAOYSA-N -1 0 343.339 3.153 20 30 EGEDRM C=CCN(C1CCCCC1)S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC001185899470 1387825646 /nfs/dbraw/zinc/82/56/46/1387825646.db2.gz LLFXJFGRFYVWLF-UHFFFAOYSA-N -1 0 337.441 3.203 20 30 EGEDRM N#Cc1c(F)cc(F)cc1[N-]S(=O)(=O)Cc1ccc(F)c(F)c1 ZINC001189318059 1366987408 /nfs/dbraw/zinc/98/74/08/1366987408.db2.gz BVMQLGJZYCUPHL-UHFFFAOYSA-N -1 0 344.289 3.057 20 30 EGEDRM N#Cc1c(F)ccc(F)c1[N-]S(=O)(=O)Cc1ccc(F)c(F)c1 ZINC001189319480 1366988954 /nfs/dbraw/zinc/98/89/54/1366988954.db2.gz OVWKOFSOITULFF-UHFFFAOYSA-N -1 0 344.289 3.057 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cncc(C3CCC3)c2)c1 ZINC001190619562 1367309822 /nfs/dbraw/zinc/30/98/22/1367309822.db2.gz SPVCDMRAEQZIKX-UHFFFAOYSA-N -1 0 331.372 3.161 20 30 EGEDRM CC1(C)Oc2ccc([N-]S(=O)(=O)c3cc(C#N)ccc3F)cc2O1 ZINC001190648475 1367315525 /nfs/dbraw/zinc/31/55/25/1367315525.db2.gz RAPAHFFDJWETAJ-UHFFFAOYSA-N -1 0 348.355 3.005 20 30 EGEDRM C[C@@H](C#N)c1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2F)cc1 ZINC001190648191 1367315804 /nfs/dbraw/zinc/31/58/04/1367315804.db2.gz VJWIUUAMVZUNMH-NSHDSACASA-N -1 0 329.356 3.125 20 30 EGEDRM CC(=O)c1cc(C)ccc1[N-]S(=O)(=O)c1cc(C#N)ccc1F ZINC001190657575 1367321108 /nfs/dbraw/zinc/32/11/08/1367321108.db2.gz DBOXQBQCNHZAGU-UHFFFAOYSA-N -1 0 332.356 3.009 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]c2sc(C)nc2C(F)(F)F)CC1 ZINC001190772724 1367346262 /nfs/dbraw/zinc/34/62/62/1367346262.db2.gz KALDMBHTAPRPSY-UHFFFAOYSA-N -1 0 326.365 3.321 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]c2cccc(Cl)c2C(=O)OCC)CC1 ZINC001190813373 1367356120 /nfs/dbraw/zinc/35/61/20/1367356120.db2.gz HQVFLTCGKXTTQQ-UHFFFAOYSA-N -1 0 343.832 3.367 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]c2ccccc2C(=O)OC(C)(C)C)CC1 ZINC001190815622 1367356871 /nfs/dbraw/zinc/35/68/71/1367356871.db2.gz SIPRZHVZFKWGBV-UHFFFAOYSA-N -1 0 337.441 3.492 20 30 EGEDRM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1ccc(C#N)nc1C ZINC001191662093 1367556461 /nfs/dbraw/zinc/55/64/61/1367556461.db2.gz MESZLQOYSUEGMD-UHFFFAOYSA-N -1 0 345.424 3.195 20 30 EGEDRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1cc(C#N)cc(OC)c1 ZINC001191828954 1367605388 /nfs/dbraw/zinc/60/53/88/1367605388.db2.gz NCWDGCQHHZGELB-UHFFFAOYSA-N -1 0 346.408 3.075 20 30 EGEDRM CCCCCCCN(C)S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC001186164896 1387887629 /nfs/dbraw/zinc/88/76/29/1387887629.db2.gz PBBBSKDXJIUZPP-UHFFFAOYSA-N -1 0 331.409 3.115 20 30 EGEDRM Cc1cc(Cl)ncc1S(=O)(=O)[N-]c1cc(Cl)cc(C#N)c1 ZINC001192357665 1367762355 /nfs/dbraw/zinc/76/23/55/1367762355.db2.gz FKAWYGNDZCFBFC-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2C#N)cnc1Cl ZINC001192571887 1367821743 /nfs/dbraw/zinc/82/17/43/1367821743.db2.gz OUCDSJQAVCLSRJ-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM C#Cc1cc([N-]S(=O)(=O)c2cc(CC)ccc2OC)ccc1F ZINC001192821365 1367881886 /nfs/dbraw/zinc/88/18/86/1367881886.db2.gz OKMFUBIVWZYPQN-UHFFFAOYSA-N -1 0 333.384 3.179 20 30 EGEDRM CC(C)(C#N)c1cccc([N-]S(=O)(=O)c2cnccc2Cl)c1 ZINC001192894111 1367898252 /nfs/dbraw/zinc/89/82/52/1367898252.db2.gz YQZDATLXSYWMLC-UHFFFAOYSA-N -1 0 335.816 3.337 20 30 EGEDRM N#Cc1cc(C(=O)Nc2cc(F)cc(Br)c2)ccc1[O-] ZINC001193506866 1368047958 /nfs/dbraw/zinc/04/79/58/1368047958.db2.gz ZVUKXRKOLGLCCH-UHFFFAOYSA-N -1 0 335.132 3.418 20 30 EGEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2ccccc2C2CC2)c1 ZINC001193635941 1368080525 /nfs/dbraw/zinc/08/05/25/1368080525.db2.gz HMIPXQHIEIVQED-UHFFFAOYSA-N -1 0 328.393 3.245 20 30 EGEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2c(C)ccnc2C(C)C)c1 ZINC001193654914 1368086559 /nfs/dbraw/zinc/08/65/59/1368086559.db2.gz CDIHHGHLKNHWMU-UHFFFAOYSA-N -1 0 345.424 3.195 20 30 EGEDRM Cc1ccc([N-]S(=O)(=O)c2ncccc2C(F)(F)F)cc1C#N ZINC001194568949 1368288382 /nfs/dbraw/zinc/28/83/82/1368288382.db2.gz UFRBCVNBOGNGKN-UHFFFAOYSA-N -1 0 341.314 3.081 20 30 EGEDRM Cc1cc(NC(=O)c2ccc(C#N)cc2[O-])n(-c2ccccc2F)n1 ZINC001195740544 1368481243 /nfs/dbraw/zinc/48/12/43/1368481243.db2.gz HAMKOTARRUFSSG-UHFFFAOYSA-N -1 0 336.326 3.149 20 30 EGEDRM CCc1nccc(C)c1[N-]S(=O)(=O)c1cc(Cl)ccc1C#N ZINC001196651878 1368656454 /nfs/dbraw/zinc/65/64/54/1368656454.db2.gz LPXWOOMWCHMDMW-UHFFFAOYSA-N -1 0 335.816 3.278 20 30 EGEDRM CSc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)ccn1 ZINC001196652394 1368656559 /nfs/dbraw/zinc/65/65/59/1368656559.db2.gz YPBWKMPTQJPXLA-UHFFFAOYSA-N -1 0 339.829 3.129 20 30 EGEDRM Cc1cc(Cl)nc(NC(=S)Nc2ccc(C(=O)[O-])cc2)c1C#N ZINC001197083957 1368742409 /nfs/dbraw/zinc/74/24/09/1368742409.db2.gz QPJSPPFQNJWWDY-UHFFFAOYSA-N -1 0 346.799 3.422 20 30 EGEDRM COc1cccc(CS(=O)(=O)[N-]c2c(Cl)cccc2C#N)c1 ZINC001197379922 1368802386 /nfs/dbraw/zinc/80/23/86/1368802386.db2.gz GFXHEPXDWQXCFI-UHFFFAOYSA-N -1 0 336.800 3.162 20 30 EGEDRM COc1ccc(C#N)c([N-]S(=O)(=O)c2ccc3occc3c2)c1 ZINC001198862419 1369133473 /nfs/dbraw/zinc/13/34/73/1369133473.db2.gz UGLVNPMFEYUBQF-UHFFFAOYSA-N -1 0 328.349 3.114 20 30 EGEDRM CC(C)COc1cnccc1C(=O)Nc1cc(C#N)c(F)cc1[O-] ZINC001199106565 1369181371 /nfs/dbraw/zinc/18/13/71/1369181371.db2.gz ODYPAVXJVIOMJW-UHFFFAOYSA-N -1 0 329.331 3.085 20 30 EGEDRM Cc1nc(Cl)sc1S(=O)(=O)[N-]c1cccc(Cl)c1C#N ZINC001201760854 1369618666 /nfs/dbraw/zinc/61/86/66/1369618666.db2.gz UXPLNHRINIHHKD-UHFFFAOYSA-N -1 0 348.236 3.431 20 30 EGEDRM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2cccnc2C#N)c(C)c1C ZINC001201792564 1369624424 /nfs/dbraw/zinc/62/44/24/1369624424.db2.gz KVWURMFKTFTBMT-UHFFFAOYSA-N -1 0 329.425 3.296 20 30 EGEDRM CCCCCCCCCCS(=O)(=O)[N-]c1ncnn2cccc12 ZINC001201834218 1369631036 /nfs/dbraw/zinc/63/10/36/1369631036.db2.gz LAMKWONZDMTQPI-UHFFFAOYSA-N -1 0 338.477 3.034 20 30 EGEDRM C[C@@H](C#N)N(C)Cc1cc(Br)cc(Br)c1[O-] ZINC001203572115 1370174516 /nfs/dbraw/zinc/17/45/16/1370174516.db2.gz VYNJUPDPBALBLO-ZETCQYMHSA-N -1 0 348.038 3.261 20 30 EGEDRM C=CC[C@@H](NC(=O)c1ccc(OC)c(-c2ccccc2)c1)C(=O)[O-] ZINC001116921471 1371001211 /nfs/dbraw/zinc/00/12/11/1371001211.db2.gz BOLMGYNMSXCQEI-MRXNPFEDSA-N -1 0 325.364 3.121 20 30 EGEDRM N#Cc1ccc(Nc2ccc3ccc(S(=O)(=O)[O-])cc3c2)cn1 ZINC001209615413 1372151533 /nfs/dbraw/zinc/15/15/33/1372151533.db2.gz CIJFIOLQGBEBLO-UHFFFAOYSA-N -1 0 325.349 3.097 20 30 EGEDRM COc1ccc(Nc2cc(Br)cnc2C#N)cc1C(=O)[O-] ZINC001209896501 1372225834 /nfs/dbraw/zinc/22/58/34/1372225834.db2.gz IBTFRDRNVQQBSJ-UHFFFAOYSA-N -1 0 348.156 3.166 20 30 EGEDRM Cc1sc(Br)c(C([O-])=C(C#N)c2nccn2C)c1C ZINC001122517526 1372265483 /nfs/dbraw/zinc/26/54/83/1372265483.db2.gz DJGAUXHJVCKKNZ-SECBINFHSA-N -1 0 338.230 3.351 20 30 EGEDRM N#Cc1cncc(Nc2ccc3ccc(S(=O)(=O)[O-])cc3c2)c1 ZINC001210086735 1372268744 /nfs/dbraw/zinc/26/87/44/1372268744.db2.gz TUBDFAGCQOHTPS-UHFFFAOYSA-N -1 0 325.349 3.097 20 30 EGEDRM COc1cccc(Nc2c(C)cc(C)cc2S(=O)(=O)[O-])c1C#N ZINC001210124773 1372276190 /nfs/dbraw/zinc/27/61/90/1372276190.db2.gz KNAVCMHSHRXXOL-UHFFFAOYSA-N -1 0 332.381 3.174 20 30 EGEDRM COc1c(Nc2ncc(C#N)cc2Br)cccc1C(=O)[O-] ZINC001211034043 1372474105 /nfs/dbraw/zinc/47/41/05/1372474105.db2.gz RNCTZGXYZFLWKT-UHFFFAOYSA-N -1 0 348.156 3.166 20 30 EGEDRM CCCCCCCCS(=O)(=O)[N-]c1ncsc1C(=O)OCC ZINC001187993415 1388207589 /nfs/dbraw/zinc/20/75/89/1388207589.db2.gz VKYNOVUGVIYCIO-UHFFFAOYSA-N -1 0 348.490 3.422 20 30 EGEDRM Cc1cc(C(=O)[O-])ccc1Nc1ncc(C#N)cc1Br ZINC001211616778 1372590838 /nfs/dbraw/zinc/59/08/38/1372590838.db2.gz XFFFFUZWLMQYRE-UHFFFAOYSA-N -1 0 332.157 3.466 20 30 EGEDRM N#Cc1ccc(-c2noc(-c3cc([O-])[nH]c(=O)c3)n2)c2ccccc12 ZINC001212566420 1372729281 /nfs/dbraw/zinc/72/92/81/1372729281.db2.gz SMOFCGZTHDQGDB-UHFFFAOYSA-N -1 0 330.303 3.235 20 30 EGEDRM COc1cccc(C#N)c1Nc1ccc(NC(=O)CCC(=O)[O-])cc1 ZINC001213189870 1372855949 /nfs/dbraw/zinc/85/59/49/1372855949.db2.gz NNPBDLVMYKEEJN-UHFFFAOYSA-N -1 0 339.351 3.114 20 30 EGEDRM N#Cc1ccc(Nc2cccc3cc(S(=O)(=O)[O-])ccc32)c(N)c1 ZINC001213363937 1372893312 /nfs/dbraw/zinc/89/33/12/1372893312.db2.gz QJOZGNLYTFDKAX-UHFFFAOYSA-N -1 0 339.376 3.284 20 30 EGEDRM CC(=O)c1ccc(F)c([N-]c2nc(C#N)c(C#N)nc2Cl)c1F ZINC001214757930 1373115897 /nfs/dbraw/zinc/11/58/97/1373115897.db2.gz BOHFITOQEYGDDH-UHFFFAOYSA-N -1 0 333.685 3.098 20 30 EGEDRM CCOC(=O)c1c(C)oc(Nc2cc(CC(=O)[O-])ccc2F)c1C#N ZINC001216679413 1373331038 /nfs/dbraw/zinc/33/10/38/1373331038.db2.gz SBULYZPQGHRQAO-UHFFFAOYSA-N -1 0 346.314 3.146 20 30 EGEDRM C=C[C@@]1(C)CC[C@@H](Oc2[nH]c(=O)ncc2C(F)(F)F)C(C)(C)O1 ZINC001225576848 1375126787 /nfs/dbraw/zinc/12/67/87/1375126787.db2.gz NOXATGVOSUVYPY-YGRLFVJLSA-N -1 0 332.322 3.482 20 30 EGEDRM C#C[C@@H]1CCC[C@@H]1Oc1[n-]c(=O)nc2nc3cc(C)c(C)cc3nc21 ZINC001228685429 1375639172 /nfs/dbraw/zinc/63/91/72/1375639172.db2.gz GYYWPSNWHBETEV-DOMZBBRYSA-N -1 0 334.379 3.076 20 30 EGEDRM N#C[C@@H](c1ccc(-c2cncc(C(=O)[O-])c2)nn1)c1ccccc1F ZINC001241799816 1377020296 /nfs/dbraw/zinc/02/02/96/1377020296.db2.gz FGAZLBJMWSCROC-CQSZACIVSA-N -1 0 334.310 3.031 20 30 EGEDRM Cc1c(=O)[n-]n(-c2ccccc2)c1Nc1nc2c(cc1C#N)CCC2 ZINC001163115438 1382969326 /nfs/dbraw/zinc/96/93/26/1382969326.db2.gz CGGCWIWVMVTOAZ-UHFFFAOYSA-N -1 0 331.379 3.385 20 30 EGEDRM C=CCOC(=O)c1ccccc1Nc1ccc(C(=O)[O-])c(OC)c1 ZINC001174686448 1385134594 /nfs/dbraw/zinc/13/45/94/1385134594.db2.gz DBQLUHVWEHXQFU-UHFFFAOYSA-N -1 0 327.336 3.480 20 30 EGEDRM N#CCc1nn(-c2ccccc2)c(Nc2csc(C(=O)[O-])c2)c1C#N ZINC001176437563 1385587840 /nfs/dbraw/zinc/58/78/40/1385587840.db2.gz UPNUKQOELDZLCD-UHFFFAOYSA-N -1 0 349.375 3.313 20 30 EGEDRM C[S@@](=O)c1ccc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC001319378981 1386092178 /nfs/dbraw/zinc/09/21/78/1386092178.db2.gz DGDUFDDMVMDGKO-JOCHJYFZSA-N -1 0 336.800 3.222 20 30 EGEDRM C=CC[C@@H](NC(=O)Nc1cccc(-c2nc(C)c(C)o2)c1)C(=O)[O-] ZINC001321108851 1386812002 /nfs/dbraw/zinc/81/20/02/1386812002.db2.gz GFGBOYZXZKDLQO-CQSZACIVSA-N -1 0 329.356 3.109 20 30 EGEDRM Cc1c(C#N)cccc1C(=O)[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC001321789595 1386984854 /nfs/dbraw/zinc/98/48/54/1386984854.db2.gz UPDCACKEMDJZEM-UHFFFAOYSA-N -1 0 342.420 3.109 20 30 EGEDRM C=CC[C@H](NC(=O)C(C)(C)c1ccc(OCC(C)C)cc1)C(=O)[O-] ZINC001339860732 1390177785 /nfs/dbraw/zinc/17/77/85/1390177785.db2.gz BUBZDHDMVKZGIJ-INIZCTEOSA-N -1 0 333.428 3.145 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(Cn2cccc2)cc1 ZINC001342561902 1390626651 /nfs/dbraw/zinc/62/66/51/1390626651.db2.gz VATGOTPGIVRCJF-GOSISDBHSA-N -1 0 337.423 3.165 20 30 EGEDRM CC(C)CC(CC(C)C)C(=O)[N-]S(=O)(=O)c1ccccc1C#N ZINC001344436893 1390791155 /nfs/dbraw/zinc/79/11/55/1390791155.db2.gz BIGNIUQPWQPMDJ-UHFFFAOYSA-N -1 0 336.457 3.072 20 30 EGEDRM CCn1ccnc1C(C#N)=C([O-])[C@H](C(=O)OC(C)(C)C)C1CCCC1 ZINC001345647263 1390871947 /nfs/dbraw/zinc/87/19/47/1390871947.db2.gz UMZYWBKIHOTXGK-HUUCEWRRSA-N -1 0 345.443 3.227 20 30 EGEDRM Cn1cc(C([O-])=C(C#N)c2cccc(F)n2)c(C2CCCCC2)n1 ZINC001347126119 1391004828 /nfs/dbraw/zinc/00/48/28/1391004828.db2.gz ZLUMAMIZHDTPGL-CYBMUJFWSA-N -1 0 326.375 3.492 20 30 EGEDRM N#Cc1cc(F)ccc1CSCc1ccc(-c2nn[n-]n2)cc1F ZINC000737703915 1427097591 /nfs/dbraw/zinc/09/75/91/1427097591.db2.gz GKBZCZMEHPHVES-UHFFFAOYSA-N -1 0 343.362 3.450 20 30 EGEDRM C[C@@H](Nc1ccc2cc(C#N)ccc2n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824662169 1428247381 /nfs/dbraw/zinc/24/73/81/1428247381.db2.gz FAKXOLQWEVVTNC-GFCCVEGCSA-N -1 0 341.378 3.460 20 30 EGEDRM CCC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1cccs1 ZINC000825029459 1428988747 /nfs/dbraw/zinc/98/87/47/1428988747.db2.gz SUUSRLCKSZVASZ-UHFFFAOYSA-N -1 0 333.808 3.203 20 30 EGEDRM COCc1ccc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000826164420 1429573182 /nfs/dbraw/zinc/57/31/82/1429573182.db2.gz YSUSQRURMKNUSS-UHFFFAOYSA-N -1 0 342.790 3.113 20 30 EGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H](C)[C@H](C)CC ZINC000823909739 1423717263 /nfs/dbraw/zinc/71/72/63/1423717263.db2.gz PEZONHMOJIJAIJ-KGLIPLIRSA-N -1 0 327.432 3.064 20 30 EGEDRM Clc1ccc2c(c1)nccc2NN=Cc1ccc(-c2nn[n-]n2)o1 ZINC000822581158 1425816156 /nfs/dbraw/zinc/81/61/56/1425816156.db2.gz CKXTUOJNABHAKW-UHFFFAOYSA-N -1 0 339.746 3.107 20 30 EGEDRM Cc1cc(F)ccc1NN=Cc1c[nH]c2ccc(-c3nn[n-]n3)cc12 ZINC000826268546 1425937830 /nfs/dbraw/zinc/93/78/30/1425937830.db2.gz BUVHPCVWJKCFMU-UHFFFAOYSA-N -1 0 335.346 3.242 20 30 EGEDRM O=C1c2cccc(F)c2SCC1=Cc1ccccc1-c1nn[n-]n1 ZINC000826477262 1426150606 /nfs/dbraw/zinc/15/06/06/1426150606.db2.gz YPZAOUWXRNNPLT-FLIBITNWSA-N -1 0 338.367 3.378 20 30 EGEDRM c1cc(-c2nn[n-]n2)oc1CN=Nc1nc(-c2ccccc2)cs1 ZINC000819719025 1426286540 /nfs/dbraw/zinc/28/65/40/1426286540.db2.gz XJCSOEPQOSEDPJ-UHFFFAOYSA-N -1 0 337.368 3.029 20 30 EGEDRM O=C1C(=Cc2ccc(-c3nn[n-]n3)s2)CCc2cc(F)ccc21 ZINC000823505319 1426644393 /nfs/dbraw/zinc/64/43/93/1426644393.db2.gz ZXUOXBYFYVZOCO-CSKARUKUSA-N -1 0 326.356 3.280 20 30 EGEDRM O=C(C=Cc1cncc2ccccc12)c1ccc(-c2nn[n-]n2)cc1F ZINC000826402778 1426693402 /nfs/dbraw/zinc/69/34/02/1426693402.db2.gz BOCDMZCJTPHZEL-VURMDHGXSA-N -1 0 345.337 3.450 20 30 EGEDRM N#Cc1ccc(OCCCSc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822832727 1427361030 /nfs/dbraw/zinc/36/10/30/1427361030.db2.gz FNGBHPHWLXYRJL-UHFFFAOYSA-N -1 0 337.408 3.300 20 30 EGEDRM O=C1c2cc(F)ccc2CCC1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826475802 1428040872 /nfs/dbraw/zinc/04/08/72/1428040872.db2.gz RBSLIQMVYZRREG-KPKJPENVSA-N -1 0 338.317 3.357 20 30 EGEDRM O=C1c2ccc(Cl)cc2CC1=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000823504341 1429858053 /nfs/dbraw/zinc/85/80/53/1429858053.db2.gz PBILLVPVONAJKL-LFYBBSHMSA-N -1 0 340.745 3.482 20 30 EGEDRM O=C1c2cccc(Cl)c2CC1=Cc1ccc(-c2nn[n-]n2)s1 ZINC000823503738 1429975903 /nfs/dbraw/zinc/97/59/03/1429975903.db2.gz IATBANFLBNFZDY-VURMDHGXSA-N -1 0 328.784 3.404 20 30 EGEDRM CC(=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cccnc1 ZINC000735450927 1430152845 /nfs/dbraw/zinc/15/28/45/1430152845.db2.gz KJXQBJCVMAVVJD-UHFFFAOYSA-N -1 0 347.304 3.117 20 30 EGEDRM Cc1nc(-c2nn[n-]n2)c(N=NC2C[C@H](c3ccccc3)C2(C)C)o1 ZINC000822423284 1441902842 /nfs/dbraw/zinc/90/28/42/1441902842.db2.gz JAEQFYWSUREPJN-GFCCVEGCSA-N -1 0 337.387 3.145 20 30 EGEDRM C=CCCCN(C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000735413679 1442160234 /nfs/dbraw/zinc/16/02/34/1442160234.db2.gz XGGLCTPJUXZQIY-UHFFFAOYSA-N -1 0 344.419 3.084 20 30 EGEDRM C=C[C@@H](CC(=O)N(C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000823882715 1443321703 /nfs/dbraw/zinc/32/17/03/1443321703.db2.gz CAZKQNPTNYXJAR-AWEZNQCLSA-N -1 0 333.395 3.189 20 30 EGEDRM COc1ccc(C=CC(=O)c2ccc(C)c(C)c2)cc1-c1nn[n-]n1 ZINC000737081210 1443445678 /nfs/dbraw/zinc/44/56/78/1443445678.db2.gz LSBTUNKDQXKXPI-YVMONPNESA-N -1 0 334.379 3.388 20 30 EGEDRM COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)cc1C ZINC000826190740 1443483478 /nfs/dbraw/zinc/48/34/78/1443483478.db2.gz LWYIROQHLDFRNG-CLTKARDFSA-N -1 0 338.342 3.219 20 30 EGEDRM CCN(C)c1ccc(C(C)=NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821164401 1443694752 /nfs/dbraw/zinc/69/47/52/1443694752.db2.gz DOWNRZOIYWKQDU-UHFFFAOYSA-N -1 0 335.415 3.159 20 30 EGEDRM C=C(CC)CNc1ccn(-c2ccc(-c3nnn[n-]3)cc2Cl)n1 ZINC000823877882 1443747682 /nfs/dbraw/zinc/74/76/82/1443747682.db2.gz JVWMBMQVFRSFMO-UHFFFAOYSA-N -1 0 329.795 3.084 20 30 EGEDRM C[C@H](OC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1cccc(C#N)c1 ZINC000736153055 1444002298 /nfs/dbraw/zinc/00/22/98/1444002298.db2.gz PNTCUNXCUSVUPR-LXKVQUBZSA-N -1 0 345.362 3.056 20 30 EGEDRM COc1ccc(C=CC(=O)c2c[nH]c3ccccc23)cc1-c1nn[n-]n1 ZINC000737081683 1444020303 /nfs/dbraw/zinc/02/03/03/1444020303.db2.gz RJRUSUXQSOZZNU-SOFGYWHQSA-N -1 0 345.362 3.253 20 30 EGEDRM O=C1c2cccc(Cl)c2CC1=Cc1ccc(-c2nn[n-]n2)s1 ZINC000823503737 1446256794 /nfs/dbraw/zinc/25/67/94/1446256794.db2.gz IATBANFLBNFZDY-SOFGYWHQSA-N -1 0 328.784 3.404 20 30 EGEDRM N#Cc1ccc(CNC(=O)Nc2cccc(C(=O)[O-])c2)cc1Cl ZINC001601101389 970931891 /nfs/dbraw/zinc/93/18/91/970931891.db2.gz NVSZMTKHNJTITG-UHFFFAOYSA-N -1 0 329.743 3.232 20 30 EGEDRM N#Cc1c(NC(=O)CSCCC(=O)[O-])sc2c1CCCCC2 ZINC001611295828 970979813 /nfs/dbraw/zinc/97/98/13/970979813.db2.gz KWKKVBCPGJXPES-UHFFFAOYSA-N -1 0 338.454 3.035 20 30 EGEDRM C#C[C@H](NC(=O)[C@@]1(C(=O)[O-])CC=CCC1)c1ccc(Cl)cc1F ZINC001602673444 971240193 /nfs/dbraw/zinc/24/01/93/971240193.db2.gz URWNSKKGFZJBKB-WMLDXEAASA-N -1 0 335.762 3.081 20 30 EGEDRM C#CCOc1ccc(NC(=O)Nc2cccc(CCC(=O)[O-])c2)cc1 ZINC001602704340 971334310 /nfs/dbraw/zinc/33/43/10/971334310.db2.gz FEZYAQOCWDHUHR-UHFFFAOYSA-N -1 0 338.363 3.360 20 30 EGEDRM C=CCOc1ccc(CC(=O)Nc2c(C)cccc2C(=O)[O-])cc1 ZINC001602728862 971397595 /nfs/dbraw/zinc/39/75/95/971397595.db2.gz KYFUOYMYFXXQRL-UHFFFAOYSA-N -1 0 325.364 3.439 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC(C)(C)[C@@H](c2ccccc2)C1 ZINC001602778203 971510996 /nfs/dbraw/zinc/51/09/96/971510996.db2.gz CZQAGBTWERZSKK-BEFAXECRSA-N -1 0 328.412 3.033 20 30 EGEDRM CCCC[C@@H](ON=C(C)C)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001589640098 949680457 /nfs/dbraw/zinc/68/04/57/949680457.db2.gz ZGPGSXFVYUYGAB-HUUCEWRRSA-N -1 0 326.437 3.061 20 30 EGEDRM N#Cc1ccc(NCC2(C(=O)[O-])CCC2)c(F)c1Br ZINC000231842733 949757399 /nfs/dbraw/zinc/75/73/99/949757399.db2.gz OVJFFWLVUFWDAY-UHFFFAOYSA-N -1 0 327.153 3.127 20 30 EGEDRM CC(C)(C)CC[C@H](NC(=O)C(F)(F)c1ccccc1C#N)C(=O)[O-] ZINC001602859899 971712384 /nfs/dbraw/zinc/71/23/84/971712384.db2.gz QSZUCPJPJHMVLJ-ZDUSSCGKSA-N -1 0 338.354 3.046 20 30 EGEDRM CC[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)C(=O)[O-] ZINC001593603895 953418319 /nfs/dbraw/zinc/41/83/19/953418319.db2.gz LJIXCCFYDADYPY-MRXNPFEDSA-N -1 0 339.351 3.335 20 30 EGEDRM CC[C@@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)C(=O)[O-] ZINC001593604028 953419335 /nfs/dbraw/zinc/41/93/35/953419335.db2.gz PGEJOLBBQLSJMB-MRXNPFEDSA-N -1 0 339.351 3.335 20 30 EGEDRM C[C@H]1CN(C(=O)c2c(Cl)cc(C#N)cc2Cl)CC[C@H]1C(=O)[O-] ZINC001589381785 954282798 /nfs/dbraw/zinc/28/27/98/954282798.db2.gz CGOKCAYTIBRAIJ-WCBMZHEXSA-N -1 0 341.194 3.048 20 30 EGEDRM CCC(CC)(CNC(=O)Nc1ccc(C2CC2)c(C#N)c1)C(=O)[O-] ZINC001589497737 955022101 /nfs/dbraw/zinc/02/21/01/955022101.db2.gz VRFAOLWQOWETHF-UHFFFAOYSA-N -1 0 329.400 3.448 20 30 EGEDRM O=C([O-])c1cccc(/C=C/C(=O)c2cc3c(s2)SCC(=O)N3)c1 ZINC000774128927 955325692 /nfs/dbraw/zinc/32/56/92/955325692.db2.gz BCUMMRVBTISWLG-SNAWJCMRSA-N -1 0 345.401 3.387 20 30 EGEDRM N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CC[C@H]2C(=O)[O-])cc1 ZINC001594600937 956127157 /nfs/dbraw/zinc/12/71/57/956127157.db2.gz CVSLWXAFCZWNRL-KZNAEPCWSA-N -1 0 334.375 3.391 20 30 EGEDRM N#Cc1cc(F)c(C(F)(F)F)cc1NCC1(C(=O)[O-])CCOCC1 ZINC001594616069 956237506 /nfs/dbraw/zinc/23/75/06/956237506.db2.gz GVDGZGDRWXAYSM-UHFFFAOYSA-N -1 0 346.280 3.009 20 30 EGEDRM N#Cc1cc(NCc2ccccc2C(=O)[O-])ncc1Br ZINC001594617636 956251662 /nfs/dbraw/zinc/25/16/62/956251662.db2.gz RJRCKCDJJGYMJD-UHFFFAOYSA-N -1 0 332.157 3.026 20 30 EGEDRM N#Cc1ccc(C2(C(=O)Nc3ccc(C(=O)[O-])cn3)CCCC2)cc1 ZINC001594618186 956261876 /nfs/dbraw/zinc/26/18/76/956261876.db2.gz HWLPTCDEFQPHQC-UHFFFAOYSA-N -1 0 335.363 3.102 20 30 EGEDRM N#Cc1ccc(Cc2cnc(NC(=O)CCCCC(=O)[O-])s2)cc1 ZINC001594619380 956267030 /nfs/dbraw/zinc/26/70/30/956267030.db2.gz AMVMBBFCJDNVMY-UHFFFAOYSA-N -1 0 343.408 3.189 20 30 EGEDRM N#Cc1ccc(CNC(=O)C2(C(=O)[O-])CCCCCC2)cc1Cl ZINC001594620878 956278639 /nfs/dbraw/zinc/27/86/39/956278639.db2.gz TYJNBMWCRUHZAV-UHFFFAOYSA-N -1 0 334.803 3.253 20 30 EGEDRM N#Cc1ccc(NC(=O)N[C@H](C(=O)[O-])c2ccc(F)cc2)c(Cl)c1 ZINC001594622723 956292139 /nfs/dbraw/zinc/29/21/39/956292139.db2.gz IJHYAMOKUXZJHP-AWEZNQCLSA-N -1 0 347.733 3.298 20 30 EGEDRM N#Cc1ccc(NC(=O)NC2CCC(C(=O)[O-])CC2)c(C2CC2)c1 ZINC001594622725 956292585 /nfs/dbraw/zinc/29/25/85/956292585.db2.gz IKUZJVYPEDHOIJ-UHFFFAOYSA-N -1 0 327.384 3.201 20 30 EGEDRM N#Cc1cccc([C@@H](NC(=O)c2ccc(C(=O)[O-])cc2)C(F)(F)F)c1 ZINC001594626048 956315065 /nfs/dbraw/zinc/31/50/65/956315065.db2.gz RYUXZMCPAYTPNH-CQSZACIVSA-N -1 0 348.280 3.290 20 30 EGEDRM N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)NCc1cccc(C(=O)[O-])c1 ZINC001594627316 956322654 /nfs/dbraw/zinc/32/26/54/956322654.db2.gz PDORKHRNDCGQDH-GOSISDBHSA-N -1 0 349.390 3.133 20 30 EGEDRM CCC(C#N)(CC)C(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000901552488 956337799 /nfs/dbraw/zinc/33/77/99/956337799.db2.gz SOMARCFPVIUHCX-UHFFFAOYSA-N -1 0 328.412 3.421 20 30 EGEDRM C#C[C@@H](NC(=O)Nc1ccnc(C(=O)[O-])c1)c1ccc(Cl)cc1F ZINC001588386341 957976184 /nfs/dbraw/zinc/97/61/84/957976184.db2.gz OUAHLXCVAUPJKE-CYBMUJFWSA-N -1 0 347.733 3.068 20 30 EGEDRM C=C1CCC(CNC(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)CC1 ZINC001588445119 958370637 /nfs/dbraw/zinc/37/06/37/958370637.db2.gz BDTUIGCDKHFCPV-IBGZPJMESA-N -1 0 330.428 3.075 20 30 EGEDRM Cc1ccc(C2(CNC(=O)[C@](C)(C#N)CC(=O)[O-])CCCC2)c(C)c1 ZINC001594353054 958376175 /nfs/dbraw/zinc/37/61/75/958376175.db2.gz AHPJJGDPOXLDLI-IBGZPJMESA-N -1 0 342.439 3.236 20 30 EGEDRM C=CCCOCCCCC(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001588460478 958476325 /nfs/dbraw/zinc/47/63/25/958476325.db2.gz KDTGDDITNCXOEO-IAGOWNOFSA-N -1 0 331.412 3.179 20 30 EGEDRM C#Cc1ccc([C@H](OC(=O)CCCCC(=O)[O-])C(F)(F)F)cc1 ZINC001573327021 958482651 /nfs/dbraw/zinc/48/26/51/958482651.db2.gz AHXNRHXOWDLIAJ-HNNXBMFYSA-N -1 0 328.286 3.460 20 30 EGEDRM C=CCOc1ccc(CNC(=O)C2(C(=O)[O-])CCCCCC2)cc1 ZINC001588466387 958511631 /nfs/dbraw/zinc/51/16/31/958511631.db2.gz NIMJRQQVKMSXBP-UHFFFAOYSA-N -1 0 331.412 3.293 20 30 EGEDRM C=CCOc1ccc(CC(=O)Nc2ccc(C(=O)[O-])cc2F)cc1 ZINC001588466453 958513541 /nfs/dbraw/zinc/51/35/41/958513541.db2.gz QNYZRAVFYCPNND-UHFFFAOYSA-N -1 0 329.327 3.270 20 30 EGEDRM CC(C)(C(=O)Nc1cccc(C(=O)[O-])c1)c1cc(F)cc(C#N)c1 ZINC001573382193 958669906 /nfs/dbraw/zinc/66/99/06/958669906.db2.gz UVYCOWTWUJXIJE-UHFFFAOYSA-N -1 0 326.327 3.312 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N(CCc1ccc(Cl)cc1)CC1CC1 ZINC001588533927 958915043 /nfs/dbraw/zinc/91/50/43/958915043.db2.gz AJUDFRUJUBLRNZ-SFHVURJKSA-N -1 0 348.830 3.126 20 30 EGEDRM C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001588545354 958994507 /nfs/dbraw/zinc/99/45/07/958994507.db2.gz RHGXCCSVDOKKKV-UONOGXRCSA-N -1 0 345.399 3.086 20 30 EGEDRM Cc1c(C(=O)[O-])cc(CNc2cccc(OCCCC#N)c2)n1C ZINC000392199184 972426564 /nfs/dbraw/zinc/42/65/64/972426564.db2.gz OATASKAHVOORHA-UHFFFAOYSA-N -1 0 327.384 3.326 20 30 EGEDRM C[C@@H](C(=O)[O-])c1noc(-c2cccc(OCc3ccccc3C#N)c2)n1 ZINC001588602753 959448125 /nfs/dbraw/zinc/44/81/25/959448125.db2.gz LFOULKNNXZEZTQ-GFCCVEGCSA-N -1 0 349.346 3.375 20 30 EGEDRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)Oc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC001594231502 959474851 /nfs/dbraw/zinc/47/48/51/959474851.db2.gz RFXSKLCOWYXALJ-CWTRNNRKSA-N -1 0 337.331 3.367 20 30 EGEDRM C=C(C)[C@H](CC(=O)N1CCCC[C@H]1c1ccc(C(=O)[O-])n1C)OCC ZINC001123296684 960451767 /nfs/dbraw/zinc/45/17/67/960451767.db2.gz IYPFWSNKJKPAPQ-RDJZCZTQSA-N -1 0 348.443 3.148 20 30 EGEDRM Cc1cc(C)c(C#N)c(SCCOc2ccccc2C(=O)[O-])n1 ZINC001574319424 960817962 /nfs/dbraw/zinc/81/79/62/960817962.db2.gz OJVJXQUOMSWJEW-UHFFFAOYSA-N -1 0 328.393 3.439 20 30 EGEDRM N#Cc1ccccc1/C=C\C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001574489069 961701431 /nfs/dbraw/zinc/70/14/31/961701431.db2.gz GIJGNSWAJWGUDZ-ZWHYWQQASA-N -1 0 332.359 3.001 20 30 EGEDRM C=C(C)C[C@H](NCc1nc(-c2cccc(OC)c2)cs1)C(=O)[O-] ZINC001343426681 962165259 /nfs/dbraw/zinc/16/52/59/962165259.db2.gz BEHQXNHHKQXKMJ-AWEZNQCLSA-N -1 0 332.425 3.328 20 30 EGEDRM CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cccnc1C(=O)[O-] ZINC001588920868 962374696 /nfs/dbraw/zinc/37/46/96/962374696.db2.gz ZHIUFWPESVEFJZ-UHFFFAOYSA-N -1 0 338.367 3.094 20 30 EGEDRM C#CCN(C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12)C(C)C ZINC001573301743 962636383 /nfs/dbraw/zinc/63/63/83/962636383.db2.gz JMQYSLGJAGALML-UHFFFAOYSA-N -1 0 340.379 3.179 20 30 EGEDRM C=C(C)CCC(=O)Nc1cc(OC)c(Br)cc1C(=O)[O-] ZINC001573323746 962776937 /nfs/dbraw/zinc/77/69/37/962776937.db2.gz GQIGLAUSSVJYNE-UHFFFAOYSA-N -1 0 342.189 3.451 20 30 EGEDRM C=CC[C@H](C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)[O-])c1ccccc1 ZINC001573350092 962963816 /nfs/dbraw/zinc/96/38/16/962963816.db2.gz BBYFLVMDRLQEDQ-ROUUACIJSA-N -1 0 341.382 3.298 20 30 EGEDRM C=CCCN(CC(=O)c1cc(C(=O)[O-])[nH]c1C)OCc1ccccc1 ZINC001573360798 963043426 /nfs/dbraw/zinc/04/34/26/963043426.db2.gz XFOREBNNFNUFPT-UHFFFAOYSA-N -1 0 342.395 3.214 20 30 EGEDRM C=CCOC[C@H](NC(=O)CC1CCC(C(C)(C)CC)CC1)C(=O)[O-] ZINC001573369753 963101421 /nfs/dbraw/zinc/10/14/21/963101421.db2.gz ZIBHOVAJBXUSQK-GPANFISMSA-N -1 0 339.476 3.391 20 30 EGEDRM C[C@@H]1C[C@H](C(=O)[O-])CCN1Cc1ccc(Br)cc1C#N ZINC000312235515 963546130 /nfs/dbraw/zinc/54/61/30/963546130.db2.gz BGMXHSYOIBGWSL-GHMZBOCLSA-N -1 0 337.217 3.006 20 30 EGEDRM N#Cc1cc(Br)ccc1CN1CCCCC[C@@H]1C(=O)[O-] ZINC000312849145 963599214 /nfs/dbraw/zinc/59/92/14/963599214.db2.gz XLFYVTNJJGRSOT-CQSZACIVSA-N -1 0 337.217 3.150 20 30 EGEDRM CSc1ccc(CNC(=O)Nc2ccccc2C(=O)[O-])cc1C#N ZINC001604964769 972552040 /nfs/dbraw/zinc/55/20/40/972552040.db2.gz FTURQYJKBHCITE-UHFFFAOYSA-N -1 0 341.392 3.300 20 30 EGEDRM Cc1c2cc(C#N)ccc2sc1C(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC001605074667 972702271 /nfs/dbraw/zinc/70/22/71/972702271.db2.gz WKSHXACPNKNBAF-GWCFXTLKSA-N -1 0 342.420 3.264 20 30 EGEDRM Cc1cc(Cl)ccc1C1=CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC1 ZINC001605174034 972886180 /nfs/dbraw/zinc/88/61/80/972886180.db2.gz XTRSUJXSSMJWKF-GOSISDBHSA-N -1 0 346.814 3.269 20 30 EGEDRM Cc1cc(F)c(C#N)cc1NC(=O)NC[C@H](CC(=O)[O-])CC(C)C ZINC001605178650 972888039 /nfs/dbraw/zinc/88/80/39/972888039.db2.gz BOGYJUHESGVEQW-LBPRGKRZSA-N -1 0 335.379 3.264 20 30 EGEDRM N#Cc1ccc(Br)cc1N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000405375092 973856726 /nfs/dbraw/zinc/85/67/26/973856726.db2.gz SPTZQGCTURLIBC-LBPRGKRZSA-N -1 0 335.201 3.012 20 30 EGEDRM N#Cc1cc(F)c(NC[C@H](CC2CC2)C(=O)[O-])cc1Br ZINC000405385966 973862980 /nfs/dbraw/zinc/86/29/80/973862980.db2.gz FBMYAYYBYLBIOJ-JTQLQIEISA-N -1 0 341.180 3.373 20 30 EGEDRM N#Cc1cc(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)ccc1Cl ZINC001605592122 973893027 /nfs/dbraw/zinc/89/30/27/973893027.db2.gz WHWKMYBELUWRLL-ONERCXAPSA-N -1 0 332.787 3.070 20 30 EGEDRM N#CCc1ccc(NC(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC001605601609 973906556 /nfs/dbraw/zinc/90/65/56/973906556.db2.gz XMVBYXURVFADSA-DLBZAZTESA-N -1 0 335.363 3.187 20 30 EGEDRM CCCN(C(=O)Cc1ccccc1C(=O)[O-])c1snc(C)c1C#N ZINC001603654922 974025665 /nfs/dbraw/zinc/02/56/65/974025665.db2.gz MFBMRMTXNHGSAV-UHFFFAOYSA-N -1 0 343.408 3.007 20 30 EGEDRM CC(C)c1sc(NC(=O)/C=C/c2ccccc2C#N)nc1C(=O)[O-] ZINC001592111683 976902019 /nfs/dbraw/zinc/90/20/19/976902019.db2.gz KFHQDDXYNBWQHL-BQYQJAHWSA-N -1 0 341.392 3.488 20 30 EGEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001592225535 977409057 /nfs/dbraw/zinc/40/90/57/977409057.db2.gz AGDCYNFFZVSSLH-UTUOFQBUSA-N -1 0 333.413 3.066 20 30 EGEDRM C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc(C(=O)[O-])no1 ZINC001592226219 977416238 /nfs/dbraw/zinc/41/62/38/977416238.db2.gz VGHVXAMFRFFNDC-VIFPVBQESA-N -1 0 331.353 3.019 20 30 EGEDRM N#Cc1ccc(N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)c(F)c1Br ZINC000712993064 977626837 /nfs/dbraw/zinc/62/68/37/977626837.db2.gz GPFDULBOLLKSDQ-ITMYJUKJSA-N -1 0 339.164 3.125 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1NN=Cc1coc(-c2ccccc2)n1 ZINC000756901065 978701202 /nfs/dbraw/zinc/70/12/02/978701202.db2.gz IHYVKBFJUHVMTG-UHFFFAOYSA-N -1 0 337.335 3.494 20 30 EGEDRM C[C@H](Oc1ccc(/C=C2\Oc3cc(F)cc(F)c3C2=O)cc1)C(=O)[O-] ZINC000794714003 978818247 /nfs/dbraw/zinc/81/82/47/978818247.db2.gz TVXMSPUUIGZYKV-JEHWNMSRSA-N -1 0 346.285 3.433 20 30 EGEDRM C[C@H]1C(N=Nc2ccc(Br)cn2)CC[C@H]1CC(=O)[O-] ZINC000814832548 978890569 /nfs/dbraw/zinc/89/05/69/978890569.db2.gz QROJUQQZHKZKOQ-BDAKNGLRSA-N -1 0 326.194 3.133 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1N=NC1Cc2[nH]c3ccccc3c2C1 ZINC000814886864 978895967 /nfs/dbraw/zinc/89/59/67/978895967.db2.gz FVGUFCCAJVEDID-UHFFFAOYSA-N -1 0 335.363 3.441 20 30 EGEDRM C[C@@H](Oc1ccc(C=NN[C@H]2CCc3c2cccc3F)cc1)C(=O)[O-] ZINC000835022350 979245320 /nfs/dbraw/zinc/24/53/20/979245320.db2.gz ZSSZKACQVPXWGO-XIKOKIGWSA-N -1 0 342.370 3.289 20 30 EGEDRM C=CCc1cc(C(=O)N[C@@H](C[C@@H](C)CC)C(=O)[O-])cc(OC)c1OC ZINC000844158836 979350273 /nfs/dbraw/zinc/35/02/73/979350273.db2.gz UDYJLMNPUQRBTC-WFASDCNBSA-N -1 0 349.427 3.052 20 30 EGEDRM C[C@](COC(=O)/C=C/c1ccccc1C#N)(C(=O)[O-])c1ccccc1 ZINC001592765269 979369368 /nfs/dbraw/zinc/36/93/68/979369368.db2.gz QKHZZYFEILPPFS-YVNCXZRQSA-N -1 0 335.359 3.157 20 30 EGEDRM C=CC1(CC(=O)N[C@](C)(CC(=O)[O-])c2ccccn2)CCCCC1 ZINC000907841582 981230890 /nfs/dbraw/zinc/23/08/90/981230890.db2.gz JSVYBXKMDPDBNG-GOSISDBHSA-N -1 0 330.428 3.414 20 30 EGEDRM C#CCC1(C(=O)N2CCOc3cc(C(=O)[O-])ccc3C2)CCCCC1 ZINC000908153058 981270596 /nfs/dbraw/zinc/27/05/96/981270596.db2.gz HZLVFZYQPKLUKE-UHFFFAOYSA-N -1 0 341.407 3.080 20 30 EGEDRM CC[C@](C)(C#N)C(=O)Nc1ncc(Cc2cccc(C(=O)[O-])c2)s1 ZINC001594778455 981776871 /nfs/dbraw/zinc/77/68/71/981776871.db2.gz SBHHHKBYJFEVKZ-QGZVFWFLSA-N -1 0 343.408 3.310 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1cccnc1SC(F)(F)F)C(=O)[O-] ZINC000910913084 982161650 /nfs/dbraw/zinc/16/16/50/982161650.db2.gz RSMBIJFFEDZLRT-SNVBAGLBSA-N -1 0 348.346 3.233 20 30 EGEDRM C=CCCC[C@H](NC(=O)Cc1c[nH]c2cccc(OCC)c12)C(=O)[O-] ZINC000910916827 982163365 /nfs/dbraw/zinc/16/33/65/982163365.db2.gz IVJRCDIHBRDACO-HNNXBMFYSA-N -1 0 344.411 3.035 20 30 EGEDRM CCCCCCCCOCC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC001595704365 982274514 /nfs/dbraw/zinc/27/45/14/982274514.db2.gz IBQWBGWVPUZCFW-GOSISDBHSA-N -1 0 347.455 3.402 20 30 EGEDRM CCCCCCC[C@H](C)CN1C(=O)[C@H]2C[C@@H](C(=O)[O-])CCN2C1=O ZINC001595704931 982280520 /nfs/dbraw/zinc/28/05/20/982280520.db2.gz LNCJFCCJLITZNQ-SOUVJXGZSA-N -1 0 338.448 3.110 20 30 EGEDRM C=C[C@](C)(CC)C(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1 ZINC000911597653 982530171 /nfs/dbraw/zinc/53/01/71/982530171.db2.gz JRECKADJLWMRLW-LJQANCHMSA-N -1 0 330.428 3.390 20 30 EGEDRM CC[C@H](C)C[C@H](NC(=O)C1(c2ccc(C#N)cc2)CCCC1)C(=O)[O-] ZINC001594936315 982593308 /nfs/dbraw/zinc/59/33/08/982593308.db2.gz JTMMIGXCWZIIDK-YOEHRIQHSA-N -1 0 342.439 3.376 20 30 EGEDRM CCCN(C(=O)c1ccc(C(=O)[O-])c(F)c1)c1snc(C)c1C#N ZINC001595827322 982712133 /nfs/dbraw/zinc/71/21/33/982712133.db2.gz OZFYATBLKOCTCD-UHFFFAOYSA-N -1 0 347.371 3.217 20 30 EGEDRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1sc2ccc(C#N)cc2c1C ZINC001594978206 982758777 /nfs/dbraw/zinc/75/87/77/982758777.db2.gz LSEVZEDRFLAUQR-JTQLQIEISA-N -1 0 330.409 3.407 20 30 EGEDRM CCCc1c(C(=O)N(C)Cc2cccc(C#N)c2)[nH]c(C)c1C(=O)[O-] ZINC001596029086 983293769 /nfs/dbraw/zinc/29/37/69/983293769.db2.gz HSEZTNFUTIALGD-UHFFFAOYSA-N -1 0 339.395 3.118 20 30 EGEDRM C#C[C@@H](NC(=O)Nc1ccc(F)c(C(=O)[O-])c1)c1ccc(F)cc1 ZINC001588374469 983344451 /nfs/dbraw/zinc/34/44/51/983344451.db2.gz XSJGYYAFUBRRFT-OAHLLOKOSA-N -1 0 330.290 3.159 20 30 EGEDRM C#C[C@H](NCc1cc(C)c(C(=O)[O-])[nH]1)c1ccc(Br)cc1 ZINC001588376674 983353065 /nfs/dbraw/zinc/35/30/65/983353065.db2.gz FYUNUGDLUYCIOK-AWEZNQCLSA-N -1 0 347.212 3.248 20 30 EGEDRM C#C[C@H](OC(=O)c1cnc(C(=O)[O-])cn1)c1ccc(C(C)(C)C)cc1 ZINC001588376839 983353955 /nfs/dbraw/zinc/35/39/55/983353955.db2.gz YHQCVSLEAFEVGG-INIZCTEOSA-N -1 0 338.363 3.004 20 30 EGEDRM C#C[C@@H](NC(=O)c1ccc(/C=C/C(=O)[O-])o1)c1ccc(Cl)cc1F ZINC001588377493 983357376 /nfs/dbraw/zinc/35/73/76/983357376.db2.gz MWEVYRGQVUNVFH-LHRNQBEKSA-N -1 0 347.729 3.274 20 30 EGEDRM C#CC1CCN(C(=O)Nc2cccc(C(=O)[O-])c2OC(C)C)CC1 ZINC001588383403 983380831 /nfs/dbraw/zinc/38/08/31/983380831.db2.gz YOFSHBLCJRFXDB-UHFFFAOYSA-N -1 0 330.384 3.049 20 30 EGEDRM C#CC[C@@H](NC(=O)[C@@H](C)Sc1cc(Cl)ccc1Cl)C(=O)[O-] ZINC001588398307 983411777 /nfs/dbraw/zinc/41/17/77/983411777.db2.gz GTJXVIXVUCLUPZ-LDYMZIIASA-N -1 0 346.235 3.067 20 30 EGEDRM C#CC[C@@H](NC(=O)[C@H](C)Sc1cc(Cl)ccc1Cl)C(=O)[O-] ZINC001588398304 983411913 /nfs/dbraw/zinc/41/19/13/983411913.db2.gz GTJXVIXVUCLUPZ-GZMMTYOYSA-N -1 0 346.235 3.067 20 30 EGEDRM C#CCN(Cc1ccc(-c2ccccc2C(=O)[O-])o1)C1CSC1 ZINC001588469681 983502836 /nfs/dbraw/zinc/50/28/36/983502836.db2.gz MRHGNTDZGSAXHX-UHFFFAOYSA-N -1 0 327.405 3.195 20 30 EGEDRM C#CCOc1ccc(C(=O)Nc2cc(F)cc(Cl)c2C(=O)[O-])cc1 ZINC001588497600 983540182 /nfs/dbraw/zinc/54/01/82/983540182.db2.gz PWRJAWUPXQXGAK-UHFFFAOYSA-N -1 0 347.729 3.442 20 30 EGEDRM C#CCOc1ccccc1NC(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001588504506 983547897 /nfs/dbraw/zinc/54/78/97/983547897.db2.gz CDENSSCTLYLCFI-UHFFFAOYSA-N -1 0 342.326 3.109 20 30 EGEDRM C=C(C)[C@@H](CC(=O)Nc1cc(F)cc(Cl)c1C(=O)[O-])OCC ZINC001588534778 983586637 /nfs/dbraw/zinc/58/66/37/983586637.db2.gz IXAOGNJCOYYNNV-GFCCVEGCSA-N -1 0 329.755 3.487 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)CCOc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC001588540375 983603544 /nfs/dbraw/zinc/60/35/44/983603544.db2.gz DZNGBLIPWPBOAK-GFCCVEGCSA-N -1 0 346.210 3.298 20 30 EGEDRM C=C(C)C[C@H](NC(=O)c1cccc2c1ccn2CC(C)C)C(=O)[O-] ZINC001588549055 983626526 /nfs/dbraw/zinc/62/65/26/983626526.db2.gz WQEYTTBDXOVDKT-INIZCTEOSA-N -1 0 328.412 3.447 20 30 EGEDRM C=C(C)CCC(=O)N(C)[C@H](C(=O)[O-])c1ccc(Br)s1 ZINC001588555150 983633034 /nfs/dbraw/zinc/63/30/34/983633034.db2.gz ZRDWRLOBENKHAK-LBPRGKRZSA-N -1 0 346.246 3.451 20 30 EGEDRM C=C(CC(C)C)C(=O)N[C@H](C(=O)[O-])c1ccccc1Br ZINC001588605510 983693140 /nfs/dbraw/zinc/69/31/40/983693140.db2.gz KHKWATFMXZBHCX-ZDUSSCGKSA-N -1 0 340.217 3.293 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)NCc1ccc(COc2ccccc2)cc1 ZINC001588629482 983737762 /nfs/dbraw/zinc/73/77/62/983737762.db2.gz CAOQQLSIUBPYCK-UHFFFAOYSA-N -1 0 339.391 3.303 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Oc1ccc(NC(=O)c2ccsc2)cc1 ZINC001588633751 983750822 /nfs/dbraw/zinc/75/08/22/983750822.db2.gz RBJFGNOXNDBOBZ-UHFFFAOYSA-N -1 0 345.376 3.327 20 30 EGEDRM C=C[C@@H](OC(=O)Cc1[nH]c(C(C)=O)c(C)c1C(=O)[O-])c1ccccc1 ZINC001588712676 983945962 /nfs/dbraw/zinc/94/59/62/983945962.db2.gz YJXFIVNGKZWSCL-OAHLLOKOSA-N -1 0 341.363 3.237 20 30 EGEDRM C=CC[C@H](Sc1nnc(-c2cccc(OC)c2)n1CC=C)C(=O)[O-] ZINC001588757525 984103304 /nfs/dbraw/zinc/10/33/04/984103304.db2.gz ALGBMTOMKFFHFX-AWEZNQCLSA-N -1 0 345.424 3.261 20 30 EGEDRM C=CCCC[C@H](NC(=O)[C@H](CC)O[C@H]1CCC[C@@H](C)C1)C(=O)[O-] ZINC001588784969 984179194 /nfs/dbraw/zinc/17/91/94/984179194.db2.gz DPCDODKQJXUMBO-UGUYLWEFSA-N -1 0 325.449 3.286 20 30 EGEDRM C=CCCC[C@H](NC(=O)C[C@@H]1OCc2cc(Cl)ccc21)C(=O)[O-] ZINC001588789014 984195269 /nfs/dbraw/zinc/19/52/69/984195269.db2.gz UXTRJJWFWNAPCN-GJZGRUSLSA-N -1 0 337.803 3.227 20 30 EGEDRM C=CCCC[C@H](NC(=O)Cc1ccccc1C(F)(F)F)C(=O)[O-] ZINC001588789058 984196102 /nfs/dbraw/zinc/19/61/02/984196102.db2.gz WNSSQVTWXDVKFZ-ZDUSSCGKSA-N -1 0 329.318 3.174 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1ccc(OC)c2ccccc12)C(=O)[O-] ZINC001588792540 984210604 /nfs/dbraw/zinc/21/06/04/984210604.db2.gz AFQZKSBUJOBFSM-MRXNPFEDSA-N -1 0 327.380 3.388 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1ccccc1NC(=O)C(C)(C)C)C(=O)[O-] ZINC001588793259 984217772 /nfs/dbraw/zinc/21/77/72/984217772.db2.gz NJVFRSBRKPXCSA-OAHLLOKOSA-N -1 0 346.427 3.211 20 30 EGEDRM C=CCCCCCCNC(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001588798803 984238845 /nfs/dbraw/zinc/23/88/45/984238845.db2.gz RIPRUEYSBIGHOI-NSHDSACASA-N -1 0 325.434 3.338 20 30 EGEDRM C=CCCSCCNC(=O)Nc1ccc(F)c(C(=O)[O-])c1C ZINC001588814877 984274107 /nfs/dbraw/zinc/27/41/07/984274107.db2.gz WRNKYDCXBBFPSJ-UHFFFAOYSA-N -1 0 326.393 3.263 20 30 EGEDRM C=CCN(CC1CCCCC1)S(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC001588825785 984302069 /nfs/dbraw/zinc/30/20/69/984302069.db2.gz XYZHRVUDYNFSMW-HOTGVXAUSA-N -1 0 343.489 3.028 20 30 EGEDRM C=CCN(CC=C)C(=O)c1ccc(NCc2ccc(C(=O)[O-])o2)cc1 ZINC001588826435 984303441 /nfs/dbraw/zinc/30/34/41/984303441.db2.gz DTFXDXMUFAADIZ-UHFFFAOYSA-N -1 0 340.379 3.404 20 30 EGEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC001588832325 984321398 /nfs/dbraw/zinc/32/13/98/984321398.db2.gz CTJFUXTZOSYJJC-LUAWRHEFSA-N -1 0 341.363 3.214 20 30 EGEDRM C=CCN1C(=O)N[C@H](c2ccc(C(C)(C)C#N)cc2)C(C(=O)[O-])=C1C ZINC001588832397 984322339 /nfs/dbraw/zinc/32/23/39/984322339.db2.gz LXYIVGDQECBCHW-MRXNPFEDSA-N -1 0 339.395 3.099 20 30 EGEDRM C=CCN(Cc1ccccc1)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001588832913 984327657 /nfs/dbraw/zinc/32/76/57/984327657.db2.gz XIXFLRUSPLROMG-UHFFFAOYSA-N -1 0 326.352 3.481 20 30 EGEDRM C=CCOc1ccc(-c2nnc(S[C@H](CC=C)C(=O)[O-])o2)cc1 ZINC001588869699 984440926 /nfs/dbraw/zinc/44/09/26/984440926.db2.gz VPKCMXBKWUMJPQ-CYBMUJFWSA-N -1 0 332.381 3.423 20 30 EGEDRM CCOC(=O)[C@H]1C/C(=C/c2ccc(C(=O)[O-])[nH]2)C(=O)c2ccccc21 ZINC001596567710 984453602 /nfs/dbraw/zinc/45/36/02/984453602.db2.gz ALHFCQODRHQDNR-KLQCNHIUSA-N -1 0 339.347 3.030 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1cc(C)nc(C)c1 ZINC001588885450 984467713 /nfs/dbraw/zinc/46/77/13/984467713.db2.gz RRXRUEYDOOTEDK-UHFFFAOYSA-N -1 0 341.363 3.353 20 30 EGEDRM C=CCc1cccc(F)c1OS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001588887016 984474836 /nfs/dbraw/zinc/47/48/36/984474836.db2.gz YCAAJOFWZUIQGO-UHFFFAOYSA-N -1 0 336.340 3.020 20 30 EGEDRM C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cccc2cc(C(=O)[O-])sc21 ZINC001588917868 984567632 /nfs/dbraw/zinc/56/76/32/984567632.db2.gz FWVYSOSOVBDLGO-AAEUAGOBSA-N -1 0 346.408 3.312 20 30 EGEDRM CC(N=Nc1cccc(C(=O)[O-])c1F)c1ccnn1CC1CCC1 ZINC001589017534 985005057 /nfs/dbraw/zinc/00/50/57/985005057.db2.gz UKRIWMKQAIQCSB-UHFFFAOYSA-N -1 0 330.363 3.357 20 30 EGEDRM CC(=NOCC1(C(=O)[O-])CC1)c1ccc(Br)cc1F ZINC001589021588 985012705 /nfs/dbraw/zinc/01/27/05/985012705.db2.gz QBTWNCBDMSCRLM-UHFFFAOYSA-N -1 0 330.153 3.194 20 30 EGEDRM CCO[C@H]1CC(N=Nc2ccc(C(=O)[O-])c(Cl)c2)[C@H]1SC ZINC001596804638 985326959 /nfs/dbraw/zinc/32/69/59/985326959.db2.gz KFQIWJFCVZSCNL-QWHCGFSZSA-N -1 0 328.821 3.347 20 30 EGEDRM Cc1c(C#N)cccc1C(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC001599973222 986044203 /nfs/dbraw/zinc/04/42/03/986044203.db2.gz MCUHBXKIOXUWJJ-INIZCTEOSA-N -1 0 342.782 3.466 20 30 EGEDRM Cc1c(C#N)cccc1NC(=O)NCc1ccc(C(=O)[O-])cc1F ZINC001599975018 986075968 /nfs/dbraw/zinc/07/59/68/986075968.db2.gz PBQARHZPYDRTTO-UHFFFAOYSA-N -1 0 327.315 3.026 20 30 EGEDRM Cc1c(C(=O)[O-])cc(C=NNc2cccc(Br)c2)n1C ZINC001599984458 986209268 /nfs/dbraw/zinc/20/92/68/986209268.db2.gz LSQZFUHIBVEVFT-UHFFFAOYSA-N -1 0 336.189 3.240 20 30 EGEDRM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1Cc1csc(C#N)c1 ZINC001594570765 986397247 /nfs/dbraw/zinc/39/72/47/986397247.db2.gz YRUHIJYDSKQVNA-CYBMUJFWSA-N -1 0 341.436 3.029 20 30 EGEDRM C[C@H](C(=O)[O-])[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)c1ccccc1 ZINC001589462405 986917679 /nfs/dbraw/zinc/91/76/79/986917679.db2.gz PDBFPIZAZXQHNC-NOENWEJRSA-N -1 0 348.402 3.240 20 30 EGEDRM CC(C)(C#N)CC(=O)O[C@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC001589554253 987299472 /nfs/dbraw/zinc/29/94/72/987299472.db2.gz ZSQCVBXPMSUJHL-LBPRGKRZSA-N -1 0 329.274 3.314 20 30 EGEDRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)C[C@H](CC#N)c2ccccc2)C1 ZINC001589605150 987448596 /nfs/dbraw/zinc/44/85/96/987448596.db2.gz GBRDLVRNZNKREM-DLBZAZTESA-N -1 0 342.439 3.423 20 30 EGEDRM CC(C)(C(=O)[O-])c1ccc(NC(=O)Nc2cc(CC#N)ccn2)cc1 ZINC001589637798 987557103 /nfs/dbraw/zinc/55/71/03/987557103.db2.gz MHAXVACBECIIRS-UHFFFAOYSA-N -1 0 338.367 3.154 20 30 EGEDRM CCc1ccc(C#CC(=O)N2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)cc1 ZINC001597495011 988040992 /nfs/dbraw/zinc/04/09/92/988040992.db2.gz NZKHSWDWAWQZND-PMACEKPBSA-N -1 0 347.414 3.417 20 30 EGEDRM CCc1nnc(Nc2ccc(C[C@H](C)C(=O)[O-])cc2)c(C#N)c1CC ZINC001597736044 989084575 /nfs/dbraw/zinc/08/45/75/989084575.db2.gz QASGJXUELZQFOL-LBPRGKRZSA-N -1 0 338.411 3.480 20 30 EGEDRM CCc1oc(C(=O)[O-])cc1Cn1cc(CC2(C#N)CCCCC2)nn1 ZINC001597773326 989247669 /nfs/dbraw/zinc/24/76/69/989247669.db2.gz XEQJWDMBYMCRQK-UHFFFAOYSA-N -1 0 342.399 3.197 20 30 EGEDRM C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)C1(c2ccc(C#N)cc2)CCCC1 ZINC001599877562 989438923 /nfs/dbraw/zinc/43/89/23/989438923.db2.gz IXRASJRMGXHMFF-GDBMZVCRSA-N -1 0 340.423 3.082 20 30 EGEDRM CC(C)(C)c1nc(NC(=O)C2(C#N)CC3(CC3)C2)sc1C(=O)[O-] ZINC001590541847 990167133 /nfs/dbraw/zinc/16/71/33/990167133.db2.gz JENIYZJOKKCGCZ-UHFFFAOYSA-N -1 0 333.413 3.161 20 30 EGEDRM CC(C)[C@@H]1C[C@H](CC(=O)OCc2cccc(C(=O)[O-])c2C#N)CCO1 ZINC001591072555 991535732 /nfs/dbraw/zinc/53/57/32/991535732.db2.gz NOFZBFJJWWMOSW-DYVFJYSZSA-N -1 0 345.395 3.141 20 30 EGEDRM CC(C)CN(C(=O)c1ccc(C(C)(C)C#N)cc1)C(C)(C)C(=O)[O-] ZINC001591285180 992222591 /nfs/dbraw/zinc/22/25/91/992222591.db2.gz NWXJLQRBJBHKLR-UHFFFAOYSA-N -1 0 330.428 3.449 20 30 EGEDRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)/C=C\c1ccccc1C#N ZINC001591309276 992265780 /nfs/dbraw/zinc/26/57/80/992265780.db2.gz RBMXKJNTKFFHQW-KTKRTIGZSA-N -1 0 328.412 3.167 20 30 EGEDRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC001598512266 992576725 /nfs/dbraw/zinc/57/67/25/992576725.db2.gz WYFSFQLJWGDAOU-UHFFFAOYSA-N -1 0 334.375 3.212 20 30 EGEDRM C[C@H](NC(=O)NCCCCC1(C(=O)[O-])CCC1)c1ccc(C#N)cc1 ZINC001593089395 993706400 /nfs/dbraw/zinc/70/64/00/993706400.db2.gz VMBDNQMEIXFQFL-AWEZNQCLSA-N -1 0 343.427 3.344 20 30 EGEDRM CC1(C)CCC[C@@](NC(=O)c2[nH]c3ccccc3c2C#N)(C(=O)[O-])C1 ZINC001593892273 996740649 /nfs/dbraw/zinc/74/06/49/996740649.db2.gz KSFKJHSNZXUVOZ-IBGZPJMESA-N -1 0 339.395 3.193 20 30 EGEDRM COC(=O)c1cc(/C=C\C(=O)c2ccc(Cl)cc2C(=O)[O-])c[nH]1 ZINC001598927726 997680978 /nfs/dbraw/zinc/68/09/78/997680978.db2.gz BQSJGUVLRNUOLM-DJWKRKHSSA-N -1 0 333.727 3.049 20 30 EGEDRM COc1ccc(C=NNc2ccc(C(=O)[O-])c(Cl)c2)cc1[N+](=O)[O-] ZINC001599543194 997878740 /nfs/dbraw/zinc/87/87/40/997878740.db2.gz BWJIQJMNUQHINP-UHFFFAOYSA-N -1 0 349.730 3.401 20 30 EGEDRM COc1c(NC(=O)Nc2ccc(CCC#N)cc2)cccc1C(=O)[O-] ZINC001599343359 997959225 /nfs/dbraw/zinc/95/92/25/997959225.db2.gz YGTXWZOTYIPZFI-UHFFFAOYSA-N -1 0 339.351 3.494 20 30 EGEDRM COCCOc1ccc(Nc2ccc(C(=O)[O-])nc2C#N)cc1Cl ZINC001599259859 998366613 /nfs/dbraw/zinc/36/66/13/998366613.db2.gz DQJYUWSXZUBTDN-UHFFFAOYSA-N -1 0 347.758 3.074 20 30 EGEDRM COc1ccc(C#N)cc1NC(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC001599476521 998541643 /nfs/dbraw/zinc/54/16/43/998541643.db2.gz DJKIOZVECIXSPP-UHFFFAOYSA-N -1 0 345.399 3.114 20 30 EGEDRM C[C@H]1C[C@@H](CON=C(CCCCC(=O)[O-])C(F)(F)F)CCO1 ZINC001594242392 998920499 /nfs/dbraw/zinc/92/04/99/998920499.db2.gz HIIJNXZJJQQWNT-QWRGUYRKSA-N -1 0 325.327 3.381 20 30 EGEDRM COC(=O)c1coc(/C=C2/CC/C(=C\c3cc(C(=O)[O-])co3)C2=O)c1 ZINC001599013948 998922333 /nfs/dbraw/zinc/92/23/33/998922333.db2.gz HKYWNNHHZXVAIQ-CYQDLDFOSA-N -1 0 342.303 3.187 20 30 EGEDRM C[C@@H]1CCN(C(=O)C2(c3ccc(C#N)cc3)CCCC2)[C@@H](C(=O)[O-])C1 ZINC001594395623 999490293 /nfs/dbraw/zinc/49/02/93/999490293.db2.gz RHBCWBUPCIZOPX-RHSMWYFYSA-N -1 0 340.423 3.082 20 30 EGEDRM COc1ccc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)cc1-c1ccccc1 ZINC000051342726 214089776 /nfs/dbraw/zinc/08/97/76/214089776.db2.gz DVODOYJCAHEVNE-UHFFFAOYSA-N -1 0 343.346 3.081 20 30 EGEDRM C=C(C)COc1cccc([N-]S(=O)(=O)c2c(C)nn(CC)c2C)c1 ZINC000266076036 248079450 /nfs/dbraw/zinc/07/94/50/248079450.db2.gz MHPIPWSFSYOVLC-UHFFFAOYSA-N -1 0 349.456 3.276 20 30 EGEDRM CC[C@H](C(=O)N=c1[n-]n(C(C)(C)C)cc1C#N)c1ccc(F)cc1 ZINC000415252118 269680069 /nfs/dbraw/zinc/68/00/69/269680069.db2.gz GGDNANDEJMEXOA-HNNXBMFYSA-N -1 0 328.391 3.203 20 30 EGEDRM C[C@H]1CCC[C@H](OCCCCCC(=O)Nc2nc(C#N)c(C#N)[n-]2)C1 ZINC000153482726 224111526 /nfs/dbraw/zinc/11/15/26/224111526.db2.gz DLLUMUZNZOUIKN-KBPBESRZSA-N -1 0 343.431 3.247 20 30 EGEDRM Cn1cc(-c2ccc(/C=C\c3nc(C(=O)[O-])ccc3C#N)s2)cn1 ZINC000337848232 141066546 /nfs/dbraw/zinc/06/65/46/141066546.db2.gz ICSYGPJFXAXMBC-UTCJRWHESA-N -1 0 336.376 3.284 20 30 EGEDRM N#Cc1ccc(C(=O)[O-])nc1/C=C\c1csc(-c2ccccn2)n1 ZINC000341344931 155244565 /nfs/dbraw/zinc/24/45/65/155244565.db2.gz KKBBALGAFFLVTG-ALCCZGGFSA-N -1 0 334.360 3.340 20 30 EGEDRM CC(C)(C)CC[C@@H](NC(=O)CSCc1ccc(C#N)cc1)C(=O)[O-] ZINC000263021781 153887033 /nfs/dbraw/zinc/88/70/33/153887033.db2.gz UCNBQFYHUWLBQN-OAHLLOKOSA-N -1 0 348.468 3.187 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2C#N)ccc1C#N ZINC000319873454 154161888 /nfs/dbraw/zinc/16/18/88/154161888.db2.gz BNCILDBICWFITR-UHFFFAOYSA-N -1 0 331.784 3.193 20 30 EGEDRM N#Cc1nc(NC(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)[n-]c1C#N ZINC000108890075 162087251 /nfs/dbraw/zinc/08/72/51/162087251.db2.gz NHCFSDUVPARVGS-HUUCEWRRSA-N -1 0 327.347 3.048 20 30 EGEDRM Cc1nc(-c2ccccc2)c([N-]S(=O)(=O)c2ccc(C#N)o2)s1 ZINC000342447074 163882425 /nfs/dbraw/zinc/88/24/25/163882425.db2.gz LACYSTYYQGWGHU-UHFFFAOYSA-N -1 0 345.405 3.384 20 30 EGEDRM CC(=Cc1cc(Br)cs1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000435338752 270051290 /nfs/dbraw/zinc/05/12/90/270051290.db2.gz JFANJLYAPDXKSO-XVNBXDOJSA-N -1 0 336.214 3.335 20 30 EGEDRM CCCN(C(=O)c1ccc(C#N)c(O)c1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000442975265 270052033 /nfs/dbraw/zinc/05/20/33/270052033.db2.gz JSLZWBDDBYVHKY-DLBZAZTESA-N -1 0 330.428 3.320 20 30 EGEDRM Cc1cccc(S(=O)(=O)[N-]c2ccc3ccn(C)c3c2)c1C#N ZINC000178601558 265328782 /nfs/dbraw/zinc/32/87/82/265328782.db2.gz BEWALBAPTMAKBU-UHFFFAOYSA-N -1 0 325.393 3.159 20 30 EGEDRM CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1C1CC1 ZINC000534235960 270061310 /nfs/dbraw/zinc/06/13/10/270061310.db2.gz RUEGDPBOEQTBMZ-GFCCVEGCSA-N -1 0 344.440 3.404 20 30 EGEDRM CCCN=c1[n-]nc(Sc2ccc(C(F)(F)F)c(C#N)n2)s1 ZINC000443426061 267020482 /nfs/dbraw/zinc/02/04/82/267020482.db2.gz CDMNVPDHACLBCD-UHFFFAOYSA-N -1 0 345.375 3.219 20 30 EGEDRM CCCN=c1[n-]nc(Sc2nc(C)c(C#N)cc2Cl)s1 ZINC000461730481 267020516 /nfs/dbraw/zinc/02/05/16/267020516.db2.gz KGWQJODCYOAVNN-UHFFFAOYSA-N -1 0 325.850 3.162 20 30 EGEDRM CCCOc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000427115671 267028436 /nfs/dbraw/zinc/02/84/36/267028436.db2.gz VZNCISBLWCUKII-UHFFFAOYSA-N -1 0 334.372 3.287 20 30 EGEDRM CCSc1n[n-]c(=NC(=O)N(C)[C@H](C)c2cccc(C#N)c2)s1 ZINC000425626757 267181540 /nfs/dbraw/zinc/18/15/40/267181540.db2.gz UMOXCNQUBMOTMR-SNVBAGLBSA-N -1 0 347.469 3.169 20 30 EGEDRM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c2cccnc12 ZINC000427750938 268039564 /nfs/dbraw/zinc/03/95/64/268039564.db2.gz YTJWBJFEJBIGOK-UHFFFAOYSA-N -1 0 341.367 3.355 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2ccnn2-c2cccc(Cl)c2)cc1[O-] ZINC000188249294 268048403 /nfs/dbraw/zinc/04/84/03/268048403.db2.gz CNPIFBFZFDFJEJ-UHFFFAOYSA-N -1 0 338.754 3.355 20 30 EGEDRM N#Cc1ccc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)cc1Cl ZINC000281897879 268106186 /nfs/dbraw/zinc/10/61/86/268106186.db2.gz PCJFPZCNWGMWID-UHFFFAOYSA-N -1 0 345.752 3.107 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)c(Cl)c1 ZINC000169250775 268208121 /nfs/dbraw/zinc/20/81/21/268208121.db2.gz PWEWXKJHCIQBKH-UHFFFAOYSA-N -1 0 328.727 3.291 20 30 EGEDRM N#CC(=C([O-])c1ccc(COc2ccccc2C#N)o1)c1ccncn1 ZINC000354479968 268283918 /nfs/dbraw/zinc/28/39/18/268283918.db2.gz WQDJFNINRJVIPC-OAHLLOKOSA-N -1 0 344.330 3.010 20 30 EGEDRM N#Cc1ccc(Cl)cc1N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000290623380 276521160 /nfs/dbraw/zinc/52/11/60/276521160.db2.gz GOIBNTULIJZQMB-SNVBAGLBSA-N -1 0 345.752 3.107 20 30 EGEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]c2cc(F)c(F)c(F)c2)c(F)c1 ZINC000130072714 307623765 /nfs/dbraw/zinc/62/37/65/307623765.db2.gz AJGJHQUHKNTETI-UHFFFAOYSA-N -1 0 348.252 3.055 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2OC(F)F)cc1 ZINC000161108907 307898593 /nfs/dbraw/zinc/89/85/93/307898593.db2.gz NNOLPANMRLZCQM-UHFFFAOYSA-N -1 0 342.298 3.100 20 30 EGEDRM N#Cc1sccc1-c1ccc(C(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000565237156 316297431 /nfs/dbraw/zinc/29/74/31/316297431.db2.gz QJIFKZQIAQHIAX-UHFFFAOYSA-N -1 0 340.404 3.224 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2ncc(C(C)(C)C)s2)ccc1C#N ZINC000573313850 317466787 /nfs/dbraw/zinc/46/67/87/317466787.db2.gz FKYCWORFRADXCH-UHFFFAOYSA-N -1 0 335.454 3.422 20 30 EGEDRM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1cccc(C)c1C#N ZINC000182546507 323559759 /nfs/dbraw/zinc/55/97/59/323559759.db2.gz VVXMOTWWWFUIDX-UHFFFAOYSA-N -1 0 346.456 3.137 20 30 EGEDRM C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC000237800431 455220490 /nfs/dbraw/zinc/22/04/90/455220490.db2.gz ZBNFGTDXFAZKJG-UHFFFAOYSA-N -1 0 345.420 3.383 20 30 EGEDRM C[C@@H](CN(C)c1c(Br)cc(Cl)cc1C#N)C(=O)[O-] ZINC000416436310 458347109 /nfs/dbraw/zinc/34/71/09/458347109.db2.gz CHWHSBRVFPDBOR-ZETCQYMHSA-N -1 0 331.597 3.131 20 30 EGEDRM COc1cc(Br)cc(NC(=O)c2ccc(C#N)c([O-])c2)c1 ZINC000443070844 459084448 /nfs/dbraw/zinc/08/44/48/459084448.db2.gz ZORCGNBCYBPOMB-UHFFFAOYSA-N -1 0 347.168 3.287 20 30 EGEDRM C=CCC[C@H](NC(=O)Nc1cc(F)c(SC)c(F)c1)C(=O)[O-] ZINC000581532814 459273602 /nfs/dbraw/zinc/27/36/02/459273602.db2.gz FITHFADHEHYPPL-NSHDSACASA-N -1 0 330.356 3.228 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)NCc2ccc(Cl)s2)cc1C#N ZINC000025527143 453776154 /nfs/dbraw/zinc/77/61/54/453776154.db2.gz WERKDBVRADXCHK-UHFFFAOYSA-N -1 0 339.829 3.026 20 30 EGEDRM O=C(Cc1c[nH]c2ccccc12)[N-]S(=O)(=O)c1ccc(Cl)cn1 ZINC000075610600 453911369 /nfs/dbraw/zinc/91/13/69/453911369.db2.gz PTCBCRSDMRFLNV-UHFFFAOYSA-N -1 0 349.799 3.104 20 30 EGEDRM C[S@](=O)Cc1cccc(C([O-])=C(C#N)c2nc3ccccc3o2)c1 ZINC000041542192 453971620 /nfs/dbraw/zinc/97/16/20/453971620.db2.gz TWLJLEBSITVSRV-LFPIHBKWSA-N -1 0 338.388 3.196 20 30 EGEDRM CSCCc1ccc([N-]S(=O)(=O)c2ccccc2C#N)cc1 ZINC000067899592 453978871 /nfs/dbraw/zinc/97/88/71/453978871.db2.gz BOLHACWTLVJZIP-UHFFFAOYSA-N -1 0 332.450 3.265 20 30 EGEDRM C[C@H](CC(=O)Nc1nc(C#N)c(C#N)[n-]1)c1ccc(C(F)(F)F)cc1 ZINC000057431350 454128127 /nfs/dbraw/zinc/12/81/27/454128127.db2.gz YCSMJBUOWLVHPR-SECBINFHSA-N -1 0 347.300 3.304 20 30 EGEDRM CCCCS[C@@H](C)C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000058246468 454174633 /nfs/dbraw/zinc/17/46/33/454174633.db2.gz DPNAQEZUXHZBNO-NSHDSACASA-N -1 0 326.443 3.125 20 30 EGEDRM CC(C)c1ccc(NS(=O)(=O)c2cccc(C#N)c2)c(C(=O)[O-])c1 ZINC000071977181 454264290 /nfs/dbraw/zinc/26/42/90/454264290.db2.gz UUTIRMAPDKOQOS-UHFFFAOYSA-N -1 0 344.392 3.181 20 30 EGEDRM O=C([O-])CCOc1cccc(/C=C2\CCc3cc(O)ccc3C2=O)c1 ZINC000060364424 454281433 /nfs/dbraw/zinc/28/14/33/454281433.db2.gz UYRHMMURJCKQIU-XNTDXEJSSA-N -1 0 338.359 3.458 20 30 EGEDRM Cc1cccc(S(=O)(=O)[N-]C(=O)C=Cc2ccccc2[N+](=O)[O-])c1 ZINC000073121476 454397516 /nfs/dbraw/zinc/39/75/16/454397516.db2.gz QKNUOIPJAFMACO-MDZDMXLPSA-N -1 0 346.364 3.262 20 30 EGEDRM O=C([N-]S(=O)(=O)c1cccnc1)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000048532889 454496312 /nfs/dbraw/zinc/49/63/12/454496312.db2.gz DABCLOCRHBERGP-UWVGGRQHSA-N -1 0 336.335 3.096 20 30 EGEDRM CNC(=O)c1cccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)c1 ZINC000080457414 454583601 /nfs/dbraw/zinc/58/36/01/454583601.db2.gz BXKLHQFSNUJUQB-CYBMUJFWSA-N -1 0 327.409 3.116 20 30 EGEDRM CNC(=O)c1cccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)c1 ZINC000080457409 454583956 /nfs/dbraw/zinc/58/39/56/454583956.db2.gz BXKLHQFSNUJUQB-ZDUSSCGKSA-N -1 0 327.409 3.116 20 30 EGEDRM Cc1nc([N-]S(=O)(=O)c2cccc(F)c2)sc1SCC#N ZINC000066253616 454672552 /nfs/dbraw/zinc/67/25/52/454672552.db2.gz FPNRBDDJZUPVOY-UHFFFAOYSA-N -1 0 343.430 3.007 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2cnc(-c3ccccn3)s2)n1 ZINC000136092973 454720078 /nfs/dbraw/zinc/72/00/78/454720078.db2.gz SSPJQFRCTJJNPK-SNVBAGLBSA-N -1 0 326.406 3.460 20 30 EGEDRM N#Cc1ccc(CSc2nc(=O)cc([O-])n2C2CCCC2)cc1 ZINC000137033933 454766023 /nfs/dbraw/zinc/76/60/23/454766023.db2.gz XYUPDZHNXMCAOZ-UHFFFAOYSA-N -1 0 327.409 3.228 20 30 EGEDRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(CC#N)cc2)c1 ZINC000112266226 454883731 /nfs/dbraw/zinc/88/37/31/454883731.db2.gz JTFJTPFJGJYOPE-UHFFFAOYSA-N -1 0 336.800 3.215 20 30 EGEDRM N#Cc1c(Br)cccc1N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000168381929 454925624 /nfs/dbraw/zinc/92/56/24/454925624.db2.gz WZGWCKUBGHCLEN-NSHDSACASA-N -1 0 337.217 3.402 20 30 EGEDRM Cc1[n-]n(-c2cc(C)ccc2C)c(=O)c1C(=O)Nc1cccc(C#N)c1 ZINC000155578604 455018995 /nfs/dbraw/zinc/01/89/95/455018995.db2.gz KRXVDDGNUDFJEH-GOSISDBHSA-N -1 0 346.390 3.153 20 30 EGEDRM CC(C)CCc1ccc(S(=O)(=O)[N-]c2ccn(CCC#N)n2)cc1 ZINC000117740972 455093626 /nfs/dbraw/zinc/09/36/26/455093626.db2.gz PUNBBJMHCZWNFS-UHFFFAOYSA-N -1 0 346.456 3.186 20 30 EGEDRM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000174256324 455374133 /nfs/dbraw/zinc/37/41/33/455374133.db2.gz JJPVUSCYQACJAM-UHFFFAOYSA-N -1 0 333.388 3.320 20 30 EGEDRM N#C[C@H](NC(=O)c1c([O-])cccc1F)c1cccc(Br)c1 ZINC000184515444 455394859 /nfs/dbraw/zinc/39/48/59/455394859.db2.gz PIOKRGUTWHUGHM-LBPRGKRZSA-N -1 0 349.159 3.288 20 30 EGEDRM N#CC(=C([O-])c1ccn(-c2ccccc2)n1)c1cnc2ccccc2n1 ZINC000190936632 455409762 /nfs/dbraw/zinc/40/97/62/455409762.db2.gz YAAJSGIALGXKGZ-OAHLLOKOSA-N -1 0 339.358 3.306 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)cc1Cl ZINC000192704435 455673855 /nfs/dbraw/zinc/67/38/55/455673855.db2.gz HKPOOVZZIBDTNX-UHFFFAOYSA-N -1 0 328.727 3.291 20 30 EGEDRM N#Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000192730551 455681009 /nfs/dbraw/zinc/68/10/09/455681009.db2.gz QSSLQSAMHQWYTQ-UHFFFAOYSA-N -1 0 328.727 3.291 20 30 EGEDRM N#CCc1ccccc1[N-]S(=O)(=O)c1ccccc1OC(F)F ZINC000193362497 455753824 /nfs/dbraw/zinc/75/38/24/455753824.db2.gz QHKYIRDCRBOPDC-UHFFFAOYSA-N -1 0 338.335 3.155 20 30 EGEDRM COc1cc(/C=C\C(=O)Nc2c(C)cccc2O)ccc1OCC#N ZINC000255332301 455865613 /nfs/dbraw/zinc/86/56/13/455865613.db2.gz OPOREGHTOFYNSS-CLFYSBASSA-N -1 0 338.363 3.264 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2ccccc2O[C@@H](C)C#N)sc1C ZINC000272373646 455930392 /nfs/dbraw/zinc/93/03/92/455930392.db2.gz AIOUJRYMQSJGFY-NSHDSACASA-N -1 0 336.438 3.457 20 30 EGEDRM CCc1cc(C)cc(CC)c1[N-]S(=O)(=O)c1ccc(C#N)nc1 ZINC000280371104 455957444 /nfs/dbraw/zinc/95/74/44/455957444.db2.gz UUHVOGSVQIPNHN-UHFFFAOYSA-N -1 0 329.425 3.187 20 30 EGEDRM C=CCC[C@@H](NC(=O)[C@H](C)c1ccc(Br)cc1)C(=O)[O-] ZINC000262799632 456059084 /nfs/dbraw/zinc/05/90/84/456059084.db2.gz COGPLOVMDSDBEV-ZWNOBZJWSA-N -1 0 340.217 3.088 20 30 EGEDRM CC(C)(C)c1nc2cc([N-]S(=O)(=O)c3ccc(C#N)o3)ccc2o1 ZINC000288524982 456098458 /nfs/dbraw/zinc/09/84/58/456098458.db2.gz NXANCEGHVAPUPI-UHFFFAOYSA-N -1 0 345.380 3.391 20 30 EGEDRM C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000263458715 456151605 /nfs/dbraw/zinc/15/16/05/456151605.db2.gz CWSHEBIOHCPLLU-PXAZEXFGSA-N -1 0 347.440 3.267 20 30 EGEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000263485247 456156225 /nfs/dbraw/zinc/15/62/25/456156225.db2.gz MJWBHAVPBXZZNN-SJKOYZFVSA-N -1 0 347.440 3.409 20 30 EGEDRM C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000263487850 456156890 /nfs/dbraw/zinc/15/68/90/456156890.db2.gz NKMGIUIPILBQPB-NWDGAFQWSA-N -1 0 333.413 3.019 20 30 EGEDRM C=CCn1c(=O)c2ccc(C(=O)N(C)[C@@H](C)CCC)cc2[n-]c1=S ZINC000298426421 456453835 /nfs/dbraw/zinc/45/38/35/456453835.db2.gz QGLXPEAMPOFKTI-LBPRGKRZSA-N -1 0 345.468 3.132 20 30 EGEDRM COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1ccccc1CC#N ZINC000337796021 456551971 /nfs/dbraw/zinc/55/19/71/456551971.db2.gz DGCZUIJGMVKLFC-UHFFFAOYSA-N -1 0 330.409 3.179 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccccc3)c2)cn1 ZINC000340969618 456790572 /nfs/dbraw/zinc/79/05/72/456790572.db2.gz LRZOREUSSYHEOM-UHFFFAOYSA-N -1 0 335.388 3.421 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccco3)cc2F)o1 ZINC000340987898 456800914 /nfs/dbraw/zinc/80/09/14/456800914.db2.gz FJLNKKQCLVXPDP-UHFFFAOYSA-N -1 0 332.312 3.351 20 30 EGEDRM C[C@@]1(c2ccc(CNC(=O)C3CCC(=O)CC3)cc2)NC(=O)NC1=O ZINC000329836861 456948592 /nfs/dbraw/zinc/94/85/92/456948592.db2.gz HZMILHZPPKSVNU-SFHVURJKSA-N -1 0 343.383 3.002 20 30 EGEDRM O=C(N=c1[n-]nc(CC(F)(F)F)s1)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000330134588 456990142 /nfs/dbraw/zinc/99/01/42/456990142.db2.gz RZIUVQPBUBUFJW-IVZWLZJFSA-N -1 0 348.394 3.360 20 30 EGEDRM CC(C)(C)c1nc(=NC(=O)N[C@@H]2CCOC3(CCCC3)C2)s[n-]1 ZINC000330273086 457018148 /nfs/dbraw/zinc/01/81/48/457018148.db2.gz YQOFNZQEBCEAQL-LLVKDONJSA-N -1 0 338.477 3.075 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)N[C@H](C)CC2CCCCC2)cc1C#N ZINC000331221752 457149307 /nfs/dbraw/zinc/14/93/07/457149307.db2.gz YSGQJIROHWZNKU-LLVKDONJSA-N -1 0 333.457 3.469 20 30 EGEDRM CC(C)Oc1ncccc1C([O-])=C(C#N)c1cnc2ccccc2n1 ZINC000342391370 457275454 /nfs/dbraw/zinc/27/54/54/457275454.db2.gz ZAOHSPUFXJCCDO-CQSZACIVSA-N -1 0 332.363 3.302 20 30 EGEDRM Cc1nn(C)c2nc(C([O-])=C(C#N)c3nc4ccccc4s3)ccc12 ZINC000342395912 457278428 /nfs/dbraw/zinc/27/84/28/457278428.db2.gz NKSYDHGKWFZMAV-GFCCVEGCSA-N -1 0 347.403 3.377 20 30 EGEDRM C=C(C)[C@H](NC(=O)N=c1ccc(C2CC2)n[n-]1)c1ccc(F)c(F)c1 ZINC000360209038 457295155 /nfs/dbraw/zinc/29/51/55/457295155.db2.gz XVAOJJIPTGTDCG-KRWDZBQOSA-N -1 0 344.365 3.493 20 30 EGEDRM CC(=O)Nc1ccc(C([O-])=C(C#N)c2nc3ccccc3s2)nc1 ZINC000360325607 457302079 /nfs/dbraw/zinc/30/20/79/457302079.db2.gz POXUAZUGTZWAFD-LBPRGKRZSA-N -1 0 336.376 3.140 20 30 EGEDRM C=CCCOCCNC(=O)c1nn(-c2ccc(C(C)C)cc2)cc1[O-] ZINC000339886705 457312877 /nfs/dbraw/zinc/31/28/77/457312877.db2.gz HTKDLHZFVRGLCG-UHFFFAOYSA-N -1 0 343.427 3.024 20 30 EGEDRM C=CCC1(C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)CCOCC1 ZINC000425241219 457468603 /nfs/dbraw/zinc/46/86/03/457468603.db2.gz MWWHPCYJLBPGIW-AWEZNQCLSA-N -1 0 331.412 3.261 20 30 EGEDRM CCOc1nc(C)ccc1C([O-])=C(C#N)c1cnc2ccccc2n1 ZINC000361531001 457774758 /nfs/dbraw/zinc/77/47/58/457774758.db2.gz NOHUHVFPQWKPPV-AWEZNQCLSA-N -1 0 332.363 3.222 20 30 EGEDRM C=CCN(CCc1ccco1)C(=O)c1cnc2c(C)cccc2c1O ZINC000361622797 457809154 /nfs/dbraw/zinc/80/91/54/457809154.db2.gz LDEFATJTKREMBD-UHFFFAOYSA-N -1 0 336.391 3.300 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc3ccc(O)cc32)cc1F ZINC000427269630 457969215 /nfs/dbraw/zinc/96/92/15/457969215.db2.gz LVRWXOZGJJQOSF-UHFFFAOYSA-N -1 0 342.351 3.357 20 30 EGEDRM CCCCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cn1 ZINC000427317795 457974063 /nfs/dbraw/zinc/97/40/63/457974063.db2.gz YQGQJPIXGDUQRQ-UHFFFAOYSA-N -1 0 349.387 3.072 20 30 EGEDRM COc1ccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)nc1 ZINC000361958926 457978821 /nfs/dbraw/zinc/97/88/21/457978821.db2.gz ISPZTPKFVCSIRD-CYBMUJFWSA-N -1 0 336.376 3.099 20 30 EGEDRM COc1ccc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)c(Cl)c1OC ZINC000435338198 458117842 /nfs/dbraw/zinc/11/78/42/458117842.db2.gz AWYZPZLRJUKMDE-CLFYSBASSA-N -1 0 345.786 3.181 20 30 EGEDRM CCCCn1ncc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)c1C ZINC000435804574 458207830 /nfs/dbraw/zinc/20/78/30/458207830.db2.gz SGRYFYQLJLLMME-CYBMUJFWSA-N -1 0 336.399 3.061 20 30 EGEDRM CCC(=O)c1ccc([O-])c(NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)c1 ZINC000436650497 458352728 /nfs/dbraw/zinc/35/27/28/458352728.db2.gz RQVUNZGMJNCBDI-INIZCTEOSA-N -1 0 347.374 3.178 20 30 EGEDRM C[C@@H]1C[C@H](C(=O)[O-])CN(c2nc3c(cc2C#N)CCCC3(C)C)C1 ZINC000422556642 458428693 /nfs/dbraw/zinc/42/86/93/458428693.db2.gz GHPLDKXYRXSQTR-DOMZBBRYSA-N -1 0 327.428 3.114 20 30 EGEDRM N#CC(=C([O-])c1ccc(-c2nc[nH]n2)cc1)c1nc2ccccc2o1 ZINC000430650867 458475896 /nfs/dbraw/zinc/47/58/96/458475896.db2.gz DTGZLOSNBVFLAK-CYBMUJFWSA-N -1 0 329.319 3.103 20 30 EGEDRM C=CCOc1cccnc1C(=O)Nc1cc(C)c(C)c(C(=O)[O-])c1 ZINC000431683898 458606579 /nfs/dbraw/zinc/60/65/79/458606579.db2.gz DJUKAOLEKSLDII-UHFFFAOYSA-N -1 0 326.352 3.214 20 30 EGEDRM C=C[C@@H]1CCCCN1C(=O)N=c1[n-]nc(-c2ccccc2OC)s1 ZINC000455759154 458612605 /nfs/dbraw/zinc/61/26/05/458612605.db2.gz KPIAZMTZCAFNSN-GFCCVEGCSA-N -1 0 344.440 3.208 20 30 EGEDRM Cc1cc(C(=O)N=c2[n-]n(C(C)(C)C)cc2C#N)c(C(F)(F)F)o1 ZINC000472334795 458786555 /nfs/dbraw/zinc/78/65/55/458786555.db2.gz JKVYQMPQNOULJF-UHFFFAOYSA-N -1 0 340.305 3.104 20 30 EGEDRM Cn1ncc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)c1C(F)F ZINC000515026134 458804648 /nfs/dbraw/zinc/80/46/48/458804648.db2.gz SAIFPCNJABOOGR-QMMMGPOBSA-N -1 0 344.243 3.262 20 30 EGEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cnc3nccnc3c2)s1 ZINC000515582205 458810613 /nfs/dbraw/zinc/81/06/13/458810613.db2.gz FIGOUBKRBWUPTO-LLVKDONJSA-N -1 0 337.408 3.269 20 30 EGEDRM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)c3ccccn3)c2)c1 ZINC000517194417 458826117 /nfs/dbraw/zinc/82/61/17/458826117.db2.gz FZAXNLRDJJUOAG-UHFFFAOYSA-N -1 0 342.354 3.432 20 30 EGEDRM N#CCC[C@@H](NC(=O)N=c1[n-]nc(C2CC2)s1)c1ccccc1 ZINC000555903525 458918594 /nfs/dbraw/zinc/91/85/94/458918594.db2.gz RJNNQUVWFFJKSA-CYBMUJFWSA-N -1 0 327.413 3.004 20 30 EGEDRM C=CCC[C@@H](NC(=O)NCc1ccc(F)cc1C(F)(F)F)C(=O)[O-] ZINC000556708559 458994286 /nfs/dbraw/zinc/99/42/86/458994286.db2.gz JNTNEYXGIXYNPP-GFCCVEGCSA-N -1 0 348.296 3.063 20 30 EGEDRM C=CC[C@@H](CC)NC(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000567328495 459086506 /nfs/dbraw/zinc/08/65/06/459086506.db2.gz UAWNZQDFXWETCY-MFKMUULPSA-N -1 0 328.771 3.259 20 30 EGEDRM Cc1nc([N-]S(=O)(=O)c2cccc(C#N)c2)sc1C(F)(F)F ZINC000520713608 459087168 /nfs/dbraw/zinc/08/71/68/459087168.db2.gz ZBBBRCSFHFNWAB-UHFFFAOYSA-N -1 0 347.343 3.143 20 30 EGEDRM N#Cc1ccc(CCNC(=O)CC2(C(=O)[O-])CCCCCC2)cc1 ZINC000594661917 459124621 /nfs/dbraw/zinc/12/46/21/459124621.db2.gz RMDXVCNCUQIJGM-UHFFFAOYSA-N -1 0 328.412 3.032 20 30 EGEDRM Cc1ccc([C@@H](NC(=O)NCC2(C#N)CCCCC2)C(=O)[O-])cc1C ZINC000594691182 459131206 /nfs/dbraw/zinc/13/12/06/459131206.db2.gz QYIGWPZPRJVYAT-MRXNPFEDSA-N -1 0 343.427 3.202 20 30 EGEDRM CO[C@@H](CS(=O)(=O)[N-]c1ccc(F)cc1C#N)C1CCCCC1 ZINC000594722152 459139584 /nfs/dbraw/zinc/13/95/84/459139584.db2.gz DTYDUTZQPWMNLN-INIZCTEOSA-N -1 0 340.420 3.034 20 30 EGEDRM CC1(C)CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@@H]1C#N ZINC000567955278 459197857 /nfs/dbraw/zinc/19/78/57/459197857.db2.gz ZJBCAMMGKOBVBP-GFCCVEGCSA-N -1 0 337.763 3.108 20 30 EGEDRM Cc1cc(C(=O)Cn2[n-]c(C(C)(C)C)c(CCC#N)c2=O)c(C)n1C ZINC000534632540 459338726 /nfs/dbraw/zinc/33/87/26/459338726.db2.gz DBVVUCRYQXUMFW-UHFFFAOYSA-N -1 0 342.443 3.181 20 30 EGEDRM C=CCC[C@@H](NC(=O)Nc1ccc(OC2CCC2)c(F)c1)C(=O)[O-] ZINC000560486012 459356940 /nfs/dbraw/zinc/35/69/40/459356940.db2.gz HGESOVUQRLMTIV-CQSZACIVSA-N -1 0 336.363 3.298 20 30 EGEDRM O=C([O-])CC1(NC(=O)c2ccc(C#Cc3ccccc3)cc2)CCC1 ZINC000540703668 459383762 /nfs/dbraw/zinc/38/37/62/459383762.db2.gz HFEHZPYHSUYQHA-UHFFFAOYSA-N -1 0 333.387 3.214 20 30 EGEDRM CC(C)Oc1ccc(CC#N)cc1-c1ccc(C(=O)[O-])cc1CO ZINC000569237547 459420581 /nfs/dbraw/zinc/42/05/81/459420581.db2.gz LMXUYLYMTRJPNE-UHFFFAOYSA-N -1 0 325.364 3.397 20 30 EGEDRM N#CC1(CSc2n[n-]c(=NCCc3ccccc3)s2)CCC1 ZINC000569544587 459467921 /nfs/dbraw/zinc/46/79/21/459467921.db2.gz IVSQFZMJTAGCGV-UHFFFAOYSA-N -1 0 330.482 3.401 20 30 EGEDRM N#CC1(CC(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)CCCCC1 ZINC000595998884 459492832 /nfs/dbraw/zinc/49/28/32/459492832.db2.gz GOLSCJZCHNHAJW-CVEARBPZSA-N -1 0 326.396 3.280 20 30 EGEDRM Cc1cn2ccnc(C([O-])=C(C#N)c3ncc(C(C)(C)C)s3)c2n1 ZINC000562389193 459551294 /nfs/dbraw/zinc/55/12/94/459551294.db2.gz WUDOSUBCLJMTDB-LLVKDONJSA-N -1 0 339.424 3.282 20 30 EGEDRM C#CCN(CC)Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1 ZINC000490841718 459588671 /nfs/dbraw/zinc/58/86/71/459588671.db2.gz XBTVCJSXNFEQIB-UHFFFAOYSA-N -1 0 341.411 3.246 20 30 EGEDRM CC(C)(C)c1ccc(C(=O)[O-])c(NS(=O)(=O)CCCCC#N)c1 ZINC000573624829 459707233 /nfs/dbraw/zinc/70/72/33/459707233.db2.gz RVNTYWYNZLJKTF-UHFFFAOYSA-N -1 0 338.429 3.118 20 30 EGEDRM N#Cc1cccc(Oc2ccc([N-]S(=O)(=O)c3ccoc3)cn2)c1 ZINC000586474732 459859981 /nfs/dbraw/zinc/85/99/81/459859981.db2.gz AKUFBLCTNLXBMO-UHFFFAOYSA-N -1 0 341.348 3.139 20 30 EGEDRM C[C@H](NCc1ccc(C(C)(C)C#N)cc1)c1ncc(C(=O)[O-])s1 ZINC000593948396 460023468 /nfs/dbraw/zinc/02/34/68/460023468.db2.gz XZWVWHXYTJMUCM-NSHDSACASA-N -1 0 329.425 3.493 20 30 EGEDRM N#CCCSc1ccccc1NC(=O)c1noc2c1COCC2 ZINC000598933693 460094995 /nfs/dbraw/zinc/09/49/95/460094995.db2.gz YVYAIWBYOXLYCG-UHFFFAOYSA-N -1 0 329.381 3.005 20 30 EGEDRM Cc1cccc(C)c1CN(CC(C)C)C(=O)N=c1[n-]n(C)cc1C#N ZINC000602886155 460170619 /nfs/dbraw/zinc/17/06/19/460170619.db2.gz JSMXHWZCNWAGTM-UHFFFAOYSA-N -1 0 339.443 3.021 20 30 EGEDRM CC(C)Sc1ccc([C@@H](C)NC(=O)N=c2[n-]n(C)cc2C#N)cc1 ZINC000610564953 460185701 /nfs/dbraw/zinc/18/57/01/460185701.db2.gz USSSYCYHAZNBKM-GFCCVEGCSA-N -1 0 343.456 3.097 20 30 EGEDRM C[C@H](NC(=O)N=c1ccc(-c2ccccc2)n[n-]1)c1cccc(C#N)c1 ZINC000610949323 460265327 /nfs/dbraw/zinc/26/53/27/460265327.db2.gz FNHPOBRVGJCHAR-AWEZNQCLSA-N -1 0 343.390 3.320 20 30 EGEDRM Cc1n[nH]c(C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1[O-] ZINC000611899304 460486397 /nfs/dbraw/zinc/48/63/97/460486397.db2.gz NUASUAPNUGPXSU-GFCCVEGCSA-N -1 0 346.390 3.453 20 30 EGEDRM C=C(C)C[C@H](NC(=O)c1cc(Br)cc(C)c1C)C(=O)[O-] ZINC000630321388 461095048 /nfs/dbraw/zinc/09/50/48/461095048.db2.gz IHBPZJIVXFNQRX-ZDUSSCGKSA-N -1 0 340.217 3.215 20 30 EGEDRM C=C(C)C[C@H](NC(=O)[C@@H](C)c1ccc(Br)cc1)C(=O)[O-] ZINC000630319934 461095125 /nfs/dbraw/zinc/09/51/25/461095125.db2.gz LJEFXESJURJJSR-GWCFXTLKSA-N -1 0 340.217 3.088 20 30 EGEDRM N#CC(=C([O-])c1ccn(C(F)F)n1)c1cc(C(F)(F)F)ccn1 ZINC000643778753 461803226 /nfs/dbraw/zinc/80/32/26/461803226.db2.gz GBIFJPZJXNAPHQ-MRVPVSSYSA-N -1 0 330.216 3.182 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2cc(CCc3ccccc3)[nH]n2)cc1[O-] ZINC000615478539 469246770 /nfs/dbraw/zinc/24/67/70/469246770.db2.gz REDZQJGQUMSVCJ-UHFFFAOYSA-N -1 0 332.363 3.024 20 30 EGEDRM CCCCc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)[nH]n1 ZINC000186608675 535080549 /nfs/dbraw/zinc/08/05/49/535080549.db2.gz UCKIXDNIODYXIL-UHFFFAOYSA-N -1 0 338.820 3.078 20 30 EGEDRM C=C[C@H](CC(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1)c1ccccc1 ZINC000127149240 546767332 /nfs/dbraw/zinc/76/73/32/546767332.db2.gz VEAHMIHXSSXRJC-CYBMUJFWSA-N -1 0 335.363 3.328 20 30 EGEDRM O=C([O-])COc1ccc(C=NNc2ccc(OC(F)F)cc2)cc1 ZINC000726428547 574552736 /nfs/dbraw/zinc/55/27/36/574552736.db2.gz CZKYGIMUHZOOPI-UHFFFAOYSA-N -1 0 336.294 3.197 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)Cc2cc(C)ccc2C)n1 ZINC000728113860 574718715 /nfs/dbraw/zinc/71/87/15/574718715.db2.gz OVCRPMFLOXMMHQ-OAHLLOKOSA-N -1 0 342.420 3.031 20 30 EGEDRM Cn1c(Cl)nc(Cl)c1/C=C/C(=O)c1ccc(C(=O)[O-])s1 ZINC000728439448 574749375 /nfs/dbraw/zinc/74/93/75/574749375.db2.gz LAEKDIWEYIHCTB-NSCUHMNNSA-N -1 0 331.180 3.383 20 30 EGEDRM O=C([O-])CCOc1ccc(C=NNCCCc2ccccc2)cc1 ZINC000729146405 574818628 /nfs/dbraw/zinc/81/86/28/574818628.db2.gz VLFFMUSQYMRFHA-UHFFFAOYSA-N -1 0 326.396 3.096 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])c(/C=N/C[C@@H](O)c2c(F)cccc2Cl)c1 ZINC000741166163 574998451 /nfs/dbraw/zinc/99/84/51/574998451.db2.gz XLYQPDBVKRIZCH-LLVIWDJBSA-N -1 0 338.722 3.245 20 30 EGEDRM C[C@@H]1c2c(c(O)ccc2F)C(=O)/C1=C/c1ccc(OCC(=O)[O-])cc1 ZINC000730590663 575004163 /nfs/dbraw/zinc/00/41/63/575004163.db2.gz QIFOVEQXMVRDCY-XNFYSYIQSA-N -1 0 342.322 3.378 20 30 EGEDRM O=C([O-])COc1cccc(C=NNc2ccccc2Br)c1 ZINC000733203331 575319767 /nfs/dbraw/zinc/31/97/67/575319767.db2.gz DPRHMHYHJMCAHM-UHFFFAOYSA-N -1 0 349.184 3.359 20 30 EGEDRM C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H](NC(=O)[O-])C(C)C ZINC000736108755 575897660 /nfs/dbraw/zinc/89/76/60/575897660.db2.gz RMVYDOSOSLSEST-GFCCVEGCSA-N -1 0 330.837 3.208 20 30 EGEDRM C=CCn1c(-c2cc(C(=O)[O-])co2)csc1=Nc1cnn(CC)c1 ZINC000736115165 575900748 /nfs/dbraw/zinc/90/07/48/575900748.db2.gz WJZQQXWSAYRCMN-UHFFFAOYSA-N -1 0 344.396 3.143 20 30 EGEDRM C=CCn1c(SCc2cc(C(=O)[O-])co2)nnc1-c1cccnc1 ZINC000736118128 575901372 /nfs/dbraw/zinc/90/13/72/575901372.db2.gz QPIMHUBFSUPSIG-UHFFFAOYSA-N -1 0 342.380 3.110 20 30 EGEDRM C[C@H](C#N)CNC(=O)c1ccccc1SCc1occc1C(=O)[O-] ZINC000736201966 575914636 /nfs/dbraw/zinc/91/46/36/575914636.db2.gz LFQZXDRRJFETMB-LLVKDONJSA-N -1 0 344.392 3.160 20 30 EGEDRM CC(C)(C)c1ccc(CCCCC(=O)N(CC#N)CC(=O)[O-])cc1 ZINC000736296983 575928942 /nfs/dbraw/zinc/92/89/42/575928942.db2.gz BINAGVTZUYUDDW-UHFFFAOYSA-N -1 0 330.428 3.134 20 30 EGEDRM C[C@H](OC(=O)c1cc2ccccc2n1CC#N)c1ccc(C(=O)[O-])o1 ZINC000736692890 576007739 /nfs/dbraw/zinc/00/77/39/576007739.db2.gz YHGKGMCWKFOXMD-NSHDSACASA-N -1 0 338.319 3.374 20 30 EGEDRM CCc1[nH]c(C(=O)Nc2cc(C#N)cn2C(C)(C)C)c(C)c1C(=O)[O-] ZINC000737244068 576145726 /nfs/dbraw/zinc/14/57/26/576145726.db2.gz KJUNQGAMQJMSIL-UHFFFAOYSA-N -1 0 342.399 3.264 20 30 EGEDRM CON=Cc1ccc(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)cc1 ZINC000737838787 576266540 /nfs/dbraw/zinc/26/65/40/576266540.db2.gz BYITVAWMSZOTLC-UHFFFAOYSA-N -1 0 340.379 3.281 20 30 EGEDRM COc1cccc(C=Nc2cccc(CSCC(=O)[O-])c2)c1O ZINC000738095865 576288080 /nfs/dbraw/zinc/28/80/80/576288080.db2.gz KSDDJACBYAINPN-UHFFFAOYSA-N -1 0 331.393 3.469 20 30 EGEDRM CS[C@H](C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccccc1 ZINC000738183535 576297800 /nfs/dbraw/zinc/29/78/00/576297800.db2.gz YUVOZHJWUCNGCU-HOTGVXAUSA-N -1 0 341.388 3.331 20 30 EGEDRM Cc1[nH]c(C2=NNC(=Nc3ccccc3)S[C@@H]2C)c(C)c1C(=O)[O-] ZINC000738247204 576305537 /nfs/dbraw/zinc/30/55/37/576305537.db2.gz WSBSTDRDWYWCLC-LLVKDONJSA-N -1 0 342.424 3.446 20 30 EGEDRM Cc1c(N)c(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)ccc1Cl ZINC000738290665 576310806 /nfs/dbraw/zinc/31/08/06/576310806.db2.gz UUHYGWDIMFAUSR-HNNXBMFYSA-N -1 0 344.754 3.085 20 30 EGEDRM N#CCOc1ccc(COc2cn(-c3ccccc3)nc2C(=O)[O-])cc1 ZINC000738425157 576324121 /nfs/dbraw/zinc/32/41/21/576324121.db2.gz BVQTXNLWKSUHIH-UHFFFAOYSA-N -1 0 349.346 3.052 20 30 EGEDRM Cc1ccc(OC(=O)CSCc2ccc(C#N)cc2)c(C(=O)[O-])c1 ZINC000738637205 576344662 /nfs/dbraw/zinc/34/46/62/576344662.db2.gz BAEDOFDSCKLVPP-UHFFFAOYSA-N -1 0 341.388 3.404 20 30 EGEDRM Cc1nn(CCC(=O)[O-])c(C)c1C=NNc1cccc2c1CCCC2 ZINC000738922397 576369390 /nfs/dbraw/zinc/36/93/90/576369390.db2.gz HFEBPRMPEBALLZ-UHFFFAOYSA-N -1 0 340.427 3.299 20 30 EGEDRM N#CC1(C(=O)Nc2nc(-c3ccccc3)c(CC(=O)[O-])s2)CCC1 ZINC000739066881 576376621 /nfs/dbraw/zinc/37/66/21/576376621.db2.gz UEECXARCYLYKIS-UHFFFAOYSA-N -1 0 341.392 3.070 20 30 EGEDRM N#Cc1ccc([C@@H](OC(=O)c2sccc2C2CC2)C(=O)[O-])cc1 ZINC000739117331 576378913 /nfs/dbraw/zinc/37/89/13/576378913.db2.gz LHIKLSSFEXNOHV-CQSZACIVSA-N -1 0 327.361 3.480 20 30 EGEDRM N#Cc1ccc(SCC(=O)Nc2ccc(F)cc2C(=O)[O-])cc1 ZINC000739132828 576379336 /nfs/dbraw/zinc/37/93/36/576379336.db2.gz UUDBXVAZGIOIIZ-UHFFFAOYSA-N -1 0 330.340 3.126 20 30 EGEDRM N#Cc1cn(Cc2cccc(C(=O)[O-])c2)c2ccc(Cl)cc2c1=O ZINC000739141919 576379485 /nfs/dbraw/zinc/37/94/85/576379485.db2.gz DQYUJRHUDAFSHR-UHFFFAOYSA-N -1 0 338.750 3.273 20 30 EGEDRM N#Cc1ccccc1NC(=S)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC000739146383 576379747 /nfs/dbraw/zinc/37/97/47/576379747.db2.gz CKGRQZRQIIYUIT-MRXNPFEDSA-N -1 0 339.420 3.451 20 30 EGEDRM N#Cc1cnc2c(F)cc(F)cc2c1N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000739145305 576379765 /nfs/dbraw/zinc/37/97/65/576379765.db2.gz LBMMKQKHWDMCNY-ZDUSSCGKSA-N -1 0 343.333 3.076 20 30 EGEDRM O=C([O-])c1ccc2[nH]cc(C=NNCCCOc3ccccc3)c2c1 ZINC000740189269 576562227 /nfs/dbraw/zinc/56/22/27/576562227.db2.gz ILLUXLUOLRWVKJ-UHFFFAOYSA-N -1 0 337.379 3.259 20 30 EGEDRM N#C[C@H](c1ccccc1)c1ccc(NC(=O)CSCC(=O)[O-])cc1 ZINC000740308830 576575933 /nfs/dbraw/zinc/57/59/33/576575933.db2.gz CNCPJCBKLMVVKY-MRXNPFEDSA-N -1 0 340.404 3.098 20 30 EGEDRM N#Cc1ccc(CSc2ccccc2C(=O)NCCC(=O)[O-])cc1 ZINC000740315432 576576654 /nfs/dbraw/zinc/57/66/54/576576654.db2.gz MFHBLBKBOCTJFN-UHFFFAOYSA-N -1 0 340.404 3.055 20 30 EGEDRM N#Cc1ccccc1Oc1ccc(NC(=O)CSCC(=O)[O-])cc1 ZINC000740321568 576577142 /nfs/dbraw/zinc/57/71/42/576577142.db2.gz DJCQRPLQTVUVLI-UHFFFAOYSA-N -1 0 342.376 3.107 20 30 EGEDRM C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccccc1Cl ZINC000741657657 576708936 /nfs/dbraw/zinc/70/89/36/576708936.db2.gz UHDIBRPUTKZXBM-UHFFFAOYSA-N -1 0 339.775 3.292 20 30 EGEDRM C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000741657406 576709025 /nfs/dbraw/zinc/70/90/25/576709025.db2.gz PZIADRRUNHDFQO-UHFFFAOYSA-N -1 0 345.395 3.127 20 30 EGEDRM C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(C)cc1C ZINC000741657081 576709125 /nfs/dbraw/zinc/70/91/25/576709125.db2.gz IZRJMMUQADDBCP-UHFFFAOYSA-N -1 0 333.384 3.255 20 30 EGEDRM C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cccc(F)c1C ZINC000743265168 576804786 /nfs/dbraw/zinc/80/47/86/576804786.db2.gz RKEXQSZJKPMTKT-UHFFFAOYSA-N -1 0 337.347 3.086 20 30 EGEDRM CN(CCC(=O)[O-])C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 ZINC000737991480 597009655 /nfs/dbraw/zinc/00/96/55/597009655.db2.gz LQYHJLNPHSLGAK-UHFFFAOYSA-N -1 0 338.363 3.092 20 30 EGEDRM N#Cc1ccc(CN(C(=O)Nc2ccccc2CC(=O)[O-])C2CC2)cc1 ZINC000819095721 597326492 /nfs/dbraw/zinc/32/64/92/597326492.db2.gz IIXVXIMMDZPGNC-UHFFFAOYSA-N -1 0 349.390 3.382 20 30 EGEDRM C[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1cc(Cl)ccc1Cl ZINC000820114172 598223649 /nfs/dbraw/zinc/22/36/49/598223649.db2.gz KUZXRTXEWOEBAJ-XLKFXECMSA-N -1 0 329.183 3.175 20 30 EGEDRM Cc1nc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])sc1-c1ccccc1 ZINC000821176399 598223987 /nfs/dbraw/zinc/22/39/87/598223987.db2.gz XFWOZRMLDJIZIG-MRXNPFEDSA-N -1 0 329.381 3.062 20 30 EGEDRM C[C@H](CNC(=O)[C@@](C)(C#N)CC(=O)[O-])c1c(Cl)cccc1Cl ZINC000820101625 598226305 /nfs/dbraw/zinc/22/63/05/598226305.db2.gz ABGKNWPVQPSIEF-RFAUZJTJSA-N -1 0 343.210 3.218 20 30 EGEDRM Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000820979610 598230360 /nfs/dbraw/zinc/23/03/60/598230360.db2.gz ABWAMSMYTFBNGZ-LIRRHRJNSA-N -1 0 343.427 3.317 20 30 EGEDRM COc1ccc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)c(Cl)c1 ZINC000737946049 600617686 /nfs/dbraw/zinc/61/76/86/600617686.db2.gz AMYOZDJFXSXNPL-HNNXBMFYSA-N -1 0 345.738 3.203 20 30 EGEDRM N#Cc1ccsc1C(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000833076495 600801410 /nfs/dbraw/zinc/80/14/10/600801410.db2.gz HLGSDWSWLIZEPZ-LBPRGKRZSA-N -1 0 334.784 3.219 20 30 EGEDRM C=CCn1c(S[C@@H](C(=O)[O-])c2ccccc2F)nnc1C1CC1 ZINC000825711135 600833245 /nfs/dbraw/zinc/83/32/45/600833245.db2.gz QBYBWULYDIWQLX-CYBMUJFWSA-N -1 0 333.388 3.399 20 30 EGEDRM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000826881098 600915213 /nfs/dbraw/zinc/91/52/13/600915213.db2.gz DPLGUKLGHVSSGP-ZWKOTPCHSA-N -1 0 342.439 3.434 20 30 EGEDRM N#Cc1ccc(Oc2ccc(OC(=O)CCCNC(=O)[O-])cc2)cc1 ZINC000833071736 601132777 /nfs/dbraw/zinc/13/27/77/601132777.db2.gz OGCCEWQHEMNMRJ-UHFFFAOYSA-N -1 0 340.335 3.304 20 30 EGEDRM O=C([O-])c1ccc(/C=C2/Oc3ccc(Br)cc3C2=O)[nH]1 ZINC000833312692 601332315 /nfs/dbraw/zinc/33/23/15/601332315.db2.gz TWBLIMPPHCTVNC-WUXMJOGZSA-N -1 0 334.125 3.092 20 30 EGEDRM CCCOc1cccc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000829537717 601349159 /nfs/dbraw/zinc/34/91/59/601349159.db2.gz BCEOULXZZHHOBA-KRWDZBQOSA-N -1 0 339.347 3.330 20 30 EGEDRM CC(C)c1nc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cs1 ZINC000827144101 601351393 /nfs/dbraw/zinc/35/13/93/601351393.db2.gz BYWQWOVTIRKBRF-ZDUSSCGKSA-N -1 0 330.365 3.121 20 30 EGEDRM Cc1cc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c(F)cc1F ZINC000832868586 601355700 /nfs/dbraw/zinc/35/57/00/601355700.db2.gz PLKORUIGBOOBOI-HNNXBMFYSA-N -1 0 331.274 3.128 20 30 EGEDRM O=C([O-])C1(C/N=C/c2cc(Br)ccc2O)CCCC1 ZINC000833174704 601366261 /nfs/dbraw/zinc/36/62/61/601366261.db2.gz VDYJZRDGXLIJII-LZYBPNLTSA-N -1 0 326.190 3.219 20 30 EGEDRM C=CCCCC(=O)N[C@H](C(=O)[O-])c1ccc(Br)cc1 ZINC000825671425 601449912 /nfs/dbraw/zinc/44/99/12/601449912.db2.gz PNIORBIBAKISSS-ZDUSSCGKSA-N -1 0 326.190 3.047 20 30 EGEDRM Cc1cc(C(=O)N(CCC#N)CC(C)(C)C)cc(C)c1OCC(=O)[O-] ZINC000832860325 601562797 /nfs/dbraw/zinc/56/27/97/601562797.db2.gz NCLOQBFXFTVJFP-UHFFFAOYSA-N -1 0 346.427 3.169 20 30 EGEDRM C=CCCCCCN(C)S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000825671328 601579745 /nfs/dbraw/zinc/57/97/45/601579745.db2.gz MGZMYFWLWBFYPA-UHFFFAOYSA-N -1 0 347.383 3.030 20 30 EGEDRM N#Cc1ccsc1C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000833076524 601621619 /nfs/dbraw/zinc/62/16/19/601621619.db2.gz HZJWLDXRXWHKJU-LBPRGKRZSA-N -1 0 334.784 3.219 20 30 EGEDRM C[C@H](C(=O)[O-])[C@@H](NC(=O)Nc1ccc(F)c(C#N)c1)c1ccccc1 ZINC000826039747 601623574 /nfs/dbraw/zinc/62/35/74/601623574.db2.gz YLKGPIRAHPZWPJ-MEDUHNTESA-N -1 0 341.342 3.281 20 30 EGEDRM CC[C@H](NC(=O)c1ccc(Sc2ccccc2C#N)cc1)C(=O)[O-] ZINC000828976599 601752456 /nfs/dbraw/zinc/75/24/56/601752456.db2.gz RJTAREOSBIKBMU-HNNXBMFYSA-N -1 0 340.404 3.302 20 30 EGEDRM C[C@H]1CN(C(=O)Nc2cccc(C#Cc3ccccc3)c2)C[C@@H]1C(=O)[O-] ZINC000828377465 601775647 /nfs/dbraw/zinc/77/56/47/601775647.db2.gz JPKUTJNQPHOKNX-KXBFYZLASA-N -1 0 348.402 3.271 20 30 EGEDRM Cc1cc(/C=C/C(=O)c2cc(O)ccc2O)cc(C)c1OCC(=O)[O-] ZINC000832881632 601826127 /nfs/dbraw/zinc/82/61/27/601826127.db2.gz UAMUPFWVEZTNRE-HWKANZROSA-N -1 0 342.347 3.074 20 30 EGEDRM C[C@@H]1CN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)C[C@@H](c2ccsc2)O1 ZINC000828411098 601886148 /nfs/dbraw/zinc/88/61/48/601886148.db2.gz DMKXSCRZURWBHQ-OAUYIBNBSA-N -1 0 342.420 3.207 20 30 EGEDRM C[C@@H](Oc1ccc(/C=C2\COc3c(F)cccc3C2=O)cc1)C(=O)[O-] ZINC000606443744 602109145 /nfs/dbraw/zinc/10/91/45/602109145.db2.gz RGFURALZZDEDQD-VSXLWIIGSA-N -1 0 342.322 3.336 20 30 EGEDRM Cc1ccc(O)c(C(=O)/C=C\c2ccc(O[C@@H](C)C(=O)[O-])cc2)c1 ZINC000794703549 602112283 /nfs/dbraw/zinc/11/22/83/602112283.db2.gz VQJURHLUOQWXJH-HKBVPSITSA-N -1 0 326.348 3.449 20 30 EGEDRM N#Cc1ccc(-c2nnc(CNc3cccc(NC(=O)[O-])c3)o2)cc1 ZINC000833070523 602127473 /nfs/dbraw/zinc/12/74/73/602127473.db2.gz KOVCXKLZFZYOLP-UHFFFAOYSA-N -1 0 335.323 3.310 20 30 EGEDRM CN(C)c1nc2cc(N[C@@H](C(=O)[O-])c3cccc(C#N)c3)ccc2o1 ZINC000830651658 602177966 /nfs/dbraw/zinc/17/79/66/602177966.db2.gz YTSUYMJSNIXPBM-MRXNPFEDSA-N -1 0 336.351 3.003 20 30 EGEDRM COc1ccc(-c2csc(C(C#N)C(=O)[C@H](C)CC(=O)[O-])n2)cc1 ZINC000832124513 602186334 /nfs/dbraw/zinc/18/63/34/602186334.db2.gz PTBWWCHBUILLPF-ZWNOBZJWSA-N -1 0 344.392 3.106 20 30 EGEDRM C=CC[C@@H](C)NC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000825660082 602228756 /nfs/dbraw/zinc/22/87/56/602228756.db2.gz RLJKGQPHZRJNKW-GFCCVEGCSA-N -1 0 328.368 3.389 20 30 EGEDRM Cc1[nH]c(C(=O)COc2cc(Cl)ccc2C#N)c(C)c1C(=O)[O-] ZINC000832843912 602311908 /nfs/dbraw/zinc/31/19/08/602311908.db2.gz SWCZJHLKDAZTKX-UHFFFAOYSA-N -1 0 332.743 3.117 20 30 EGEDRM COc1cc(F)cc(NN=Cc2ccc(O[C@H](C)C(=O)[O-])cc2)c1 ZINC000794919463 602312034 /nfs/dbraw/zinc/31/20/34/602312034.db2.gz YYUAIUPZLQJPGF-LLVKDONJSA-N -1 0 332.331 3.132 20 30 EGEDRM CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000826951489 604295911 /nfs/dbraw/zinc/29/59/11/604295911.db2.gz KJRALMPYQKBIJZ-UHFFFAOYSA-N -1 0 340.354 3.446 20 30 EGEDRM N#CCSc1ccccc1C(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC000833069133 604345984 /nfs/dbraw/zinc/34/59/84/604345984.db2.gz NMFSZYMVODORKZ-UHFFFAOYSA-N -1 0 347.421 3.028 20 30 EGEDRM Cc1cc([C@H](C)OC(=O)[C@H](C)Oc2ccc(C#N)cc2)oc1C(=O)[O-] ZINC000832877054 604555083 /nfs/dbraw/zinc/55/50/83/604555083.db2.gz SCDUEJSCKAUVAH-RYUDHWBXSA-N -1 0 343.335 3.230 20 30 EGEDRM N#CCCN(C(=O)CCc1ccccc1C(=O)[O-])c1ccc(F)cc1 ZINC000833760216 604741314 /nfs/dbraw/zinc/74/13/14/604741314.db2.gz KXWZZIQZJJXFOW-UHFFFAOYSA-N -1 0 340.354 3.403 20 30 EGEDRM C=CCn1c(SC/C=C(/C)C(=O)[O-])nnc1-c1cccc(OC)c1 ZINC000825711064 604752071 /nfs/dbraw/zinc/75/20/71/604752071.db2.gz NHHWMRGUNAYIDR-WQLSENKSSA-N -1 0 345.424 3.263 20 30 EGEDRM C=C[C@H](CC(=O)Nc1nc(CCC(=O)[O-])cs1)c1ccccc1 ZINC000833370353 604790292 /nfs/dbraw/zinc/79/02/92/604790292.db2.gz CEQSFKNVPVGUBM-GFCCVEGCSA-N -1 0 330.409 3.459 20 30 EGEDRM N#Cc1c(COC(=O)c2ccc(C(=O)[O-])c(F)c2)cn2ccccc12 ZINC000833068951 604857273 /nfs/dbraw/zinc/85/72/73/604857273.db2.gz IJMCDARHBMAKTR-UHFFFAOYSA-N -1 0 338.294 3.005 20 30 EGEDRM C=CCn1c(C)cc(C(=O)Cn2nc(C)c([C@@H](C)C(=O)[O-])c2C)c1C ZINC000833380083 604924996 /nfs/dbraw/zinc/92/49/96/604924996.db2.gz UFTFGAFMABFBRL-GFCCVEGCSA-N -1 0 343.427 3.175 20 30 EGEDRM Cc1ccc(NC(=O)N(CCC#N)Cc2ccco2)cc1C(=O)[O-] ZINC000832944568 604961428 /nfs/dbraw/zinc/96/14/28/604961428.db2.gz HJRSMOLMXCKKAM-UHFFFAOYSA-N -1 0 327.340 3.234 20 30 EGEDRM C[C@H](C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1c(F)cccc1F ZINC000833408403 605035966 /nfs/dbraw/zinc/03/59/66/605035966.db2.gz YJWGZCOKRWXZIP-QFYYESIMSA-N -1 0 345.301 3.309 20 30 EGEDRM C[C@H](C(=O)[O-])n1cccc1CN=Nc1ncnc2c3ccccc3oc21 ZINC000833405030 605038753 /nfs/dbraw/zinc/03/87/53/605038753.db2.gz BMWOUUZPSMUVJB-LLVKDONJSA-N -1 0 349.350 3.269 20 30 EGEDRM C[C@@H](C(=O)[O-])n1cccc1C=NNc1ccc(OC(F)(F)F)cc1 ZINC000833407591 605039136 /nfs/dbraw/zinc/03/91/36/605039136.db2.gz TWCLMZZKOIVNGO-JTQLQIEISA-N -1 0 341.289 3.478 20 30 EGEDRM C=CCn1c(S[C@H](C(=O)[O-])C2CC2)nnc1-c1ccccc1F ZINC000833380266 605069435 /nfs/dbraw/zinc/06/94/35/605069435.db2.gz AFJDZRXXGJBOCU-ZDUSSCGKSA-N -1 0 333.388 3.226 20 30 EGEDRM C=CCn1c(S[C@@H](C(=O)[O-])C2CC2)nnc1-c1ccccc1C ZINC000833380837 605072189 /nfs/dbraw/zinc/07/21/89/605072189.db2.gz QDUMMQBPFYOAHL-CQSZACIVSA-N -1 0 329.425 3.395 20 30 EGEDRM C[C@H](Oc1ccc(/C=C/C(=O)c2ccnc(Cl)c2)cc1)C(=O)[O-] ZINC000794709499 605145622 /nfs/dbraw/zinc/14/56/22/605145622.db2.gz BQQOMXDWBDAUGT-ZPMKCOPCSA-N -1 0 331.755 3.483 20 30 EGEDRM N#CCCCOc1cccc(NC(=O)Nc2cncc(C(=O)[O-])c2)c1 ZINC000833760127 605173423 /nfs/dbraw/zinc/17/34/23/605173423.db2.gz GBLYBKFQWXKJFL-UHFFFAOYSA-N -1 0 340.339 3.106 20 30 EGEDRM C=CCCO[C@@H](C)C(=O)O[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000833373900 605505068 /nfs/dbraw/zinc/50/50/68/605505068.db2.gz IJUQTADURBXZBK-ZANVPECISA-N -1 0 330.739 3.129 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@@H]1CCO[C@@H](CC)C1 ZINC000833379448 605577831 /nfs/dbraw/zinc/57/78/31/605577831.db2.gz CQCMJKHVGSQMSA-HIFRSBDPSA-N -1 0 348.395 3.233 20 30 EGEDRM N#Cc1c(F)cccc1-n1ccc(NCc2cccc(C(=O)[O-])c2)n1 ZINC000833761289 605785773 /nfs/dbraw/zinc/78/57/73/605785773.db2.gz SLFPANPQDXFMMY-UHFFFAOYSA-N -1 0 336.326 3.193 20 30 EGEDRM Cc1cccc(O[C@H](C)C(=O)[N-]S(=O)(=O)c2ccccc2C)c1 ZINC000046928092 1291557928 /nfs/dbraw/zinc/55/79/28/1291557928.db2.gz GQLVETASVNYJEG-CQSZACIVSA-N -1 0 333.409 3.416 20 30 EGEDRM Cc1ccc(O[C@@H](C)C(=O)[N-]S(=O)(=O)c2ccccc2C)cc1 ZINC000046928089 1291558116 /nfs/dbraw/zinc/55/81/16/1291558116.db2.gz BVVWCVBJSWXLOA-AWEZNQCLSA-N -1 0 333.409 3.416 20 30 EGEDRM COc1ccc(C(=O)/C=C/c2cc(OC)c([O-])c([N+](=O)[O-])c2)c(F)c1 ZINC000048417924 1291604418 /nfs/dbraw/zinc/60/44/18/1291604418.db2.gz HUIAQJAAUDUDLN-ZZXKWVIFSA-N -1 0 347.298 3.353 20 30 EGEDRM CCCCS(=O)(=O)[N-]C(=O)Cc1nc(-c2cccs2)oc1C ZINC000048553991 1291611358 /nfs/dbraw/zinc/61/13/58/1291611358.db2.gz MJEZPUZSOGFBGE-UHFFFAOYSA-N -1 0 342.442 3.340 20 30 EGEDRM Cc1noc(C)c1CCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000048612397 1291613539 /nfs/dbraw/zinc/61/35/39/1291613539.db2.gz CMVUGPNHZNVAAK-UHFFFAOYSA-N -1 0 348.424 3.058 20 30 EGEDRM Cc1ccc(OCC(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1 ZINC000048612298 1291613763 /nfs/dbraw/zinc/61/37/63/1291613763.db2.gz DYBUALPDIGTUGK-UHFFFAOYSA-N -1 0 345.420 3.208 20 30 EGEDRM CCOc1cccc(C(=O)[N-]S(=O)(=O)C=Cc2ccccc2)c1 ZINC000054801416 1291763235 /nfs/dbraw/zinc/76/32/35/1291763235.db2.gz XWOGCWGEBSWWLS-VAWYXSNFSA-N -1 0 331.393 3.391 20 30 EGEDRM O=C(C=Cc1cccs1)[N-]S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000058151225 1291880597 /nfs/dbraw/zinc/88/05/97/1291880597.db2.gz ZWIJSTAOPHYOIS-GQCTYLIASA-N -1 0 342.829 3.296 20 30 EGEDRM O=C(CCc1cccs1)[N-]S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000058152340 1291881677 /nfs/dbraw/zinc/88/16/77/1291881677.db2.gz KPRQKRMQRVVUOC-UHFFFAOYSA-N -1 0 344.845 3.216 20 30 EGEDRM CCCCO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000068490800 1292204393 /nfs/dbraw/zinc/20/43/93/1292204393.db2.gz MVXISYIOWKXGOW-GFCCVEGCSA-N -1 0 325.430 3.026 20 30 EGEDRM CCc1ccc([C@@H](C)C(=O)[N-]S(=O)(=O)C[C@@H]2CCCCO2)cc1 ZINC000070036546 1292255048 /nfs/dbraw/zinc/25/50/48/1292255048.db2.gz BWESVINFAUGFIC-CJNGLKHVSA-N -1 0 339.457 3.208 20 30 EGEDRM COc1cc(C)sc1C(=O)[N-]S(=O)(=O)c1ccccc1Cl ZINC000073264053 1292312073 /nfs/dbraw/zinc/31/20/73/1292312073.db2.gz CFDSSSWXVPZACO-UHFFFAOYSA-N -1 0 345.829 3.412 20 30 EGEDRM C[C@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000076761507 1292441166 /nfs/dbraw/zinc/44/11/66/1292441166.db2.gz APCHAUPKFDJUNE-AAEUAGOBSA-N -1 0 340.401 3.207 20 30 EGEDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@@H](C)C1 ZINC000076843564 1292445112 /nfs/dbraw/zinc/44/51/12/1292445112.db2.gz AMNAQUCBDNEZJM-ZYHUDNBSSA-N -1 0 340.401 3.375 20 30 EGEDRM CCOc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(Cl)s2)cc1 ZINC000077942406 1292491177 /nfs/dbraw/zinc/49/11/77/1292491177.db2.gz XMFRUTNRLAJVAY-UHFFFAOYSA-N -1 0 345.829 3.494 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2cc(C#N)ccc2O)ccc1OC(C)C ZINC000080941433 1292631305 /nfs/dbraw/zinc/63/13/05/1292631305.db2.gz XRNKGNUKFVHTGR-UHFFFAOYSA-N -1 0 346.408 3.160 20 30 EGEDRM O=C([N-]S(=O)(=O)C1CCCC1)[C@@H]1COc2ccc(Cl)cc2C1 ZINC000086055068 1292727337 /nfs/dbraw/zinc/72/73/37/1292727337.db2.gz DQDJAOLJVPBKFP-NSHDSACASA-N -1 0 343.832 3.120 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]C(=O)c2ccc(F)cc2F)c(F)cc1F ZINC000086068044 1292728470 /nfs/dbraw/zinc/72/84/70/1292728470.db2.gz RVRRDHIXACVWAM-UHFFFAOYSA-N -1 0 347.289 3.245 20 30 EGEDRM O=C([N-]S(=O)(=O)C1CCCC1)c1cccn1Cc1ccccc1 ZINC000086055550 1292728977 /nfs/dbraw/zinc/72/89/77/1292728977.db2.gz JRRHMICJWNVBCW-UHFFFAOYSA-N -1 0 332.425 3.113 20 30 EGEDRM O=C(CCSc1ccccn1)[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000088799720 1292756157 /nfs/dbraw/zinc/75/61/57/1292756157.db2.gz VIOPRDCMMSGRKO-UHFFFAOYSA-N -1 0 340.401 3.048 20 30 EGEDRM O=C(Cc1ccc(F)cc1F)[N-]S(=O)(=O)C=Cc1ccccc1 ZINC000088800305 1292756589 /nfs/dbraw/zinc/75/65/89/1292756589.db2.gz SMWOGLJBHSSZNC-CMDGGOBGSA-N -1 0 337.347 3.465 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])c(/C=N/C2CCN(c3ccccc3)CC2)c1 ZINC000098161446 1292964458 /nfs/dbraw/zinc/96/44/58/1292964458.db2.gz HBZHCNUTCZHCAM-CPNJWEJPSA-N -1 0 325.368 3.388 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2nc(-c3ccccc3)cs2)C(=O)O1 ZINC000102713746 1292981152 /nfs/dbraw/zinc/98/11/52/1292981152.db2.gz NJIBLZSYUVOVAK-IWAYRVGRSA-N -1 0 339.372 3.038 20 30 EGEDRM CC[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)C(C)C ZINC000107022655 1293057851 /nfs/dbraw/zinc/05/78/51/1293057851.db2.gz XZHPLFBLPOUJIP-NSHDSACASA-N -1 0 342.848 3.089 20 30 EGEDRM O=C([O-])c1ccc(N=NCC[C@@H]2CCCCC23OCCO3)cc1F ZINC000835008848 1293186743 /nfs/dbraw/zinc/18/67/43/1293186743.db2.gz JVRGMLSKRVRARP-LBPRGKRZSA-N -1 0 336.363 3.245 20 30 EGEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1cccc2c1CCCC2 ZINC000835062757 1293196603 /nfs/dbraw/zinc/19/66/03/1293196603.db2.gz WYUHPXYXNRVRFT-IBGZPJMESA-N -1 0 332.403 3.204 20 30 EGEDRM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1ccsn1 ZINC000835064596 1293197653 /nfs/dbraw/zinc/19/76/53/1293197653.db2.gz XERYTPCWIKZNAQ-CYBMUJFWSA-N -1 0 327.409 3.229 20 30 EGEDRM C[C@@H](c1ccc(C([O-])=C(C#N)C(=O)c2nccn2C)cc1)C(F)(F)F ZINC000835234498 1293239812 /nfs/dbraw/zinc/23/98/12/1293239812.db2.gz CECNURSCZOCAMZ-GXFFZTMASA-N -1 0 349.312 3.291 20 30 EGEDRM CCc1cccc(C([O-])=C(C#N)C(=O)N[C@@H](CC)c2ccccc2)n1 ZINC000835342057 1293268500 /nfs/dbraw/zinc/26/85/00/1293268500.db2.gz YEXHKGRQAQKSEM-SJORKVTESA-N -1 0 335.407 3.234 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cccc(OC(F)(F)F)c1 ZINC000121465743 1293372602 /nfs/dbraw/zinc/37/26/02/1293372602.db2.gz UTLFQBJJLKSZLS-CYBMUJFWSA-N -1 0 342.317 3.214 20 30 EGEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1ccc(-n2cccc2)cc1 ZINC000126746856 1293543208 /nfs/dbraw/zinc/54/32/08/1293543208.db2.gz VQAMZCLYJNZDRC-LJQANCHMSA-N -1 0 343.386 3.116 20 30 EGEDRM COc1cc(/C=C2/Cc3c(cc(F)cc3F)C2=O)cc([N+](=O)[O-])c1[O-] ZINC000131164504 1293682094 /nfs/dbraw/zinc/68/20/94/1293682094.db2.gz MXEMINUTXVYDNZ-MBXJOHMKSA-N -1 0 347.273 3.410 20 30 EGEDRM N#C[C@H](c1ccccc1)N1CCN(Cc2cc(Cl)ccc2O)CC1 ZINC000155284117 1294091196 /nfs/dbraw/zinc/09/11/96/1294091196.db2.gz IDGCKUIGFBCAND-GOSISDBHSA-N -1 0 341.842 3.428 20 30 EGEDRM COc1cc(/C=C/C(=O)c2ccc(F)cc2[O-])c([N+](=O)[O-])cc1OC ZINC000156718083 1294156521 /nfs/dbraw/zinc/15/65/21/1294156521.db2.gz YSRVJPZSBITMFC-ZZXKWVIFSA-N -1 0 347.298 3.353 20 30 EGEDRM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2ccc(CC#N)cc2)n[nH]1 ZINC000159876267 1294249565 /nfs/dbraw/zinc/24/95/65/1294249565.db2.gz SENKSUNFDLFEHE-GFCCVEGCSA-N -1 0 332.429 3.180 20 30 EGEDRM CC(C)(C)c1ccc(S(=O)(=O)[N-]C(=O)c2cccc(C#N)c2)s1 ZINC000160483245 1294268888 /nfs/dbraw/zinc/26/88/88/1294268888.db2.gz UKEMGIINJJEBMB-UHFFFAOYSA-N -1 0 348.449 3.036 20 30 EGEDRM CCCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(CC#N)cc1 ZINC000161300397 1294289150 /nfs/dbraw/zinc/28/91/50/1294289150.db2.gz UUVFEUPDABFPJD-UHFFFAOYSA-N -1 0 348.399 3.481 20 30 EGEDRM CC[C@H](C)Oc1ccc(C([O-])=C(C#N)C(=O)NC2CCCC2)cc1 ZINC000175118900 1294540858 /nfs/dbraw/zinc/54/08/58/1294540858.db2.gz MBPPHKHMOSTETN-SUMWQHHRSA-N -1 0 328.412 3.245 20 30 EGEDRM COc1ccccc1-c1ccc(C([O-])=C(C#N)C(=O)NC(C)C)s1 ZINC000870142755 1295700173 /nfs/dbraw/zinc/70/01/73/1295700173.db2.gz MHSBQOGSSYVOBP-ZDUSSCGKSA-N -1 0 342.420 3.271 20 30 EGEDRM O=C(/C=C/c1ccccc1F)c1ccc([O-])c(CN2CCOCC2)c1 ZINC000192757034 1295796870 /nfs/dbraw/zinc/79/68/70/1295796870.db2.gz DXZSMFTYBXVVNO-FNORWQNLSA-N -1 0 341.382 3.260 20 30 EGEDRM COc1cc(/C=C\C(=O)c2ccc(F)c(F)c2)ccc1OCC(=O)[O-] ZINC000211154221 1296103839 /nfs/dbraw/zinc/10/38/39/1296103839.db2.gz REOKMQUWBYFBDV-KXFIGUGUSA-N -1 0 348.301 3.333 20 30 EGEDRM COc1cccc(/C=C\C(=O)c2cccc(OCC(=O)[O-])c2)c1OC ZINC000213720816 1296111743 /nfs/dbraw/zinc/11/17/43/1296111743.db2.gz VJBJBWPAJYABED-KTKRTIGZSA-N -1 0 342.347 3.063 20 30 EGEDRM N#CCOc1cc(F)ccc1NC(=O)CC1(C(=O)[O-])CCCCCC1 ZINC000238069730 1296277939 /nfs/dbraw/zinc/27/79/39/1296277939.db2.gz ODNZSDUZAZFNBH-UHFFFAOYSA-N -1 0 348.374 3.482 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])c(/C=N\Cc2ccc3c(c2)OCCCO3)c1 ZINC000255079779 1296496652 /nfs/dbraw/zinc/49/66/52/1296496652.db2.gz VTWRDSZWYRVZSB-WQRHYEAKSA-N -1 0 328.324 3.081 20 30 EGEDRM COc1ccc(C(=O)/C=C\c2ccc(OC)c([N+](=O)[O-])c2)c([O-])c1 ZINC000255506363 1296539918 /nfs/dbraw/zinc/53/99/18/1296539918.db2.gz WZFUTXGGUIZMRD-CLTKARDFSA-N -1 0 329.308 3.214 20 30 EGEDRM C[C@H](Oc1cccc(C(=O)/C=C\c2cnc3ccccn23)c1)C(=O)[O-] ZINC000255589969 1296550916 /nfs/dbraw/zinc/55/09/16/1296550916.db2.gz ZDLWWELIWILPMK-YXVBKTCISA-N -1 0 336.347 3.082 20 30 EGEDRM C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@@H](C)CC(=O)[O-] ZINC000262267607 1296624887 /nfs/dbraw/zinc/62/48/87/1296624887.db2.gz VQLDVUCDDMPYAG-JTQLQIEISA-N -1 0 345.317 3.111 20 30 EGEDRM CC(=NNC[C@H]1CCCC1(F)F)c1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000872407549 1296941565 /nfs/dbraw/zinc/94/15/65/1296941565.db2.gz WSEAMLUHFFHBFU-GXTWGEPZSA-N -1 0 340.370 3.288 20 30 EGEDRM CC(C)(C)c1csc(NC(=O)C(C)(C)SCC(=O)[O-])c1C#N ZINC000872870052 1297149747 /nfs/dbraw/zinc/14/97/47/1297149747.db2.gz VYYUDPXJWBYFHI-UHFFFAOYSA-N -1 0 340.470 3.452 20 30 EGEDRM O=C([O-])c1cc(C(=O)/C=C\c2cncc(Br)c2)cs1 ZINC000588476746 1298070542 /nfs/dbraw/zinc/07/05/42/1298070542.db2.gz CMHXRDUGYCSKBQ-UPHRSURJSA-N -1 0 338.182 3.500 20 30 EGEDRM COc1cc(C=CC(=O)c2sccc2[O-])c([N+](=O)[O-])cc1OC ZINC000588599081 1298090705 /nfs/dbraw/zinc/09/07/05/1298090705.db2.gz PBMLGBMQVXOHRZ-ARJAWSKDSA-N -1 0 335.337 3.275 20 30 EGEDRM C#CCOc1ccccc1CNC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000746267782 1298558681 /nfs/dbraw/zinc/55/86/81/1298558681.db2.gz UMVYMKZCHZLVRH-UHFFFAOYSA-N -1 0 338.388 3.059 20 30 EGEDRM C=CCN1c2ccccc2C(=N[N-]c2oc(C(C)(C)C)nc2C#N)C1=O ZINC000746498606 1298597788 /nfs/dbraw/zinc/59/77/88/1298597788.db2.gz XYMZYBLMNWGSNA-UHFFFAOYSA-N -1 0 349.394 3.193 20 30 EGEDRM O=C([O-])COc1cccc(/C=C2/Cc3c(c(F)ccc3F)C2=O)c1 ZINC000749581955 1299240367 /nfs/dbraw/zinc/24/03/67/1299240367.db2.gz HNWBNCVHLWWWDP-WDZFZDKYSA-N -1 0 330.286 3.251 20 30 EGEDRM CC(C)Cc1nc(C#N)c([N-]N=C2C(=O)Nc3cccc(Cl)c32)o1 ZINC000750936547 1299481417 /nfs/dbraw/zinc/48/14/17/1299481417.db2.gz URJUVEYJIWCAON-UHFFFAOYSA-N -1 0 343.774 3.166 20 30 EGEDRM CC(C)c1nc(C#N)c([N-]N=C2C(=O)Nc3cccc(Cl)c32)o1 ZINC000750937479 1299481789 /nfs/dbraw/zinc/48/17/89/1299481789.db2.gz TUJHGYKVHUTLCE-UHFFFAOYSA-N -1 0 329.747 3.091 20 30 EGEDRM COc1cccc2c1OCC[C@@H]2/N=C\c1cc([N+](=O)[O-])ccc1[O-] ZINC000750950681 1299486860 /nfs/dbraw/zinc/48/68/60/1299486860.db2.gz ZFBREMYNUQRVNJ-KPYNCUPYSA-N -1 0 328.324 3.252 20 30 EGEDRM COc1cc2c(c(C=NNc3cccc(C(=O)[O-])c3)c1)O[C@H](C)C2 ZINC000755473488 1300343811 /nfs/dbraw/zinc/34/38/11/1300343811.db2.gz XCVXZMIBTSOMAD-LLVKDONJSA-N -1 0 326.352 3.163 20 30 EGEDRM Cc1nn(C(C)(C)C)c(C)c1C=Nn1c(C(F)(F)F)n[n-]c1=S ZINC000755511946 1300351626 /nfs/dbraw/zinc/35/16/26/1300351626.db2.gz ZZTKKTVRJNWFRM-UHFFFAOYSA-N -1 0 346.382 3.036 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1N=NC(C)c1ccc(OCC#N)cc1 ZINC000756901064 1300585271 /nfs/dbraw/zinc/58/52/71/1300585271.db2.gz IGYDVMBFSVHLJD-UHFFFAOYSA-N -1 0 339.351 3.132 20 30 EGEDRM COc1cccc(NC(=S)NN=C(C)c2ccccc2C(=O)[O-])c1 ZINC000757451266 1300671579 /nfs/dbraw/zinc/67/15/79/1300671579.db2.gz LSJUMCDNDZNCNE-UHFFFAOYSA-N -1 0 343.408 3.104 20 30 EGEDRM C#CCOc1ccc(/C=C/C(=O)c2ccc(O)cc2[O-])cc1OCC ZINC000757466977 1300672734 /nfs/dbraw/zinc/67/27/34/1300672734.db2.gz AIZLXMSOSCGRAK-WEVVVXLNSA-N -1 0 338.359 3.405 20 30 EGEDRM O=C(/C=C\c1cnc(N2CCCC2)nc1)c1cc(Cl)ccc1[O-] ZINC000757467752 1300674032 /nfs/dbraw/zinc/67/40/32/1300674032.db2.gz JTIQVXKJUMLUMY-HYXAFXHYSA-N -1 0 329.787 3.332 20 30 EGEDRM O=c1[n-]c(N=NC=CCc2ccccc2[N+](=O)[O-])nc2ccccc12 ZINC000757585104 1300688591 /nfs/dbraw/zinc/68/85/91/1300688591.db2.gz YPEORMALBKGWGT-XSACCCDWSA-N -1 0 335.323 3.355 20 30 EGEDRM C#CC[C@@H](NC(=O)c1nn(-c2ccccc2)cc1[O-])c1ccccc1 ZINC000757613989 1300693739 /nfs/dbraw/zinc/69/37/39/1300693739.db2.gz GMAYOKZYBPOHKU-QGZVFWFLSA-N -1 0 331.375 3.072 20 30 EGEDRM CCCCc1noc(Cn2[n-]c(C(C)(C)C)c(CCC#N)c2=O)n1 ZINC000758424717 1300880336 /nfs/dbraw/zinc/88/03/36/1300880336.db2.gz SSSUHYTZGXXCLC-UHFFFAOYSA-N -1 0 331.420 3.116 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2ccc(Cl)c(C)c2)n1 ZINC000759390761 1301079147 /nfs/dbraw/zinc/07/91/47/1301079147.db2.gz IBDHQZRELLXRKM-GFCCVEGCSA-N -1 0 348.811 3.447 20 30 EGEDRM CC(=NNc1cnn(C)c1)c1cc(Br)cc(Cl)c1[O-] ZINC000761865796 1301558540 /nfs/dbraw/zinc/55/85/40/1301558540.db2.gz DGAYGADIILCSGB-UHFFFAOYSA-N -1 0 343.612 3.378 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1N=NCc1c[nH]c2cccc(F)c12 ZINC000763368350 1301887664 /nfs/dbraw/zinc/88/76/64/1301887664.db2.gz AHQILIWXCUTNEJ-UHFFFAOYSA-N -1 0 327.315 3.460 20 30 EGEDRM Cc1nc2ccc(C([O-])=C(C#N)C(=O)NCc3ccccc3)cc2s1 ZINC000763934264 1301984817 /nfs/dbraw/zinc/98/48/17/1301984817.db2.gz YJEOAMMGVJPWCZ-OAHLLOKOSA-N -1 0 349.415 3.244 20 30 EGEDRM COc1cc(/C=C\C(=O)c2cncc(C)c2)ccc1OCCC(=O)[O-] ZINC000767368141 1302653273 /nfs/dbraw/zinc/65/32/73/1302653273.db2.gz ZQBXRFKQIOIHQU-HYXAFXHYSA-N -1 0 341.363 3.148 20 30 EGEDRM CC(C)(C)Oc1cccc(C/N=C/c2cc([N+](=O)[O-])ccc2[O-])n1 ZINC000767877533 1302777679 /nfs/dbraw/zinc/77/76/79/1302777679.db2.gz GJBULWDTKXXCRW-VCHYOVAHSA-N -1 0 329.356 3.492 20 30 EGEDRM CCN1C(=O)C(=NN=Cc2cc(Cl)cc(F)c2[O-])c2ccccc21 ZINC000768350896 1302885036 /nfs/dbraw/zinc/88/50/36/1302885036.db2.gz WJVRMMPPXVKFSD-UHFFFAOYSA-N -1 0 345.761 3.374 20 30 EGEDRM Cc1ncc(CC/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])s1 ZINC000771836526 1303448127 /nfs/dbraw/zinc/44/81/27/1303448127.db2.gz PTMJDSDENAOPAZ-UUASQNMZSA-N -1 0 325.777 3.380 20 30 EGEDRM Cc1c(C(=O)/C=C\c2cc([O-])ccc2[N+](=O)[O-])c(C#N)c2n1CCC2 ZINC000772805394 1303579125 /nfs/dbraw/zinc/57/91/25/1303579125.db2.gz GTGRAGSIWFGMPD-DAXSKMNVSA-N -1 0 337.335 3.124 20 30 EGEDRM CC(=NNc1ncnc2sc3c(c21)CCC3)c1ccc(C(=O)[O-])o1 ZINC000773006115 1303605603 /nfs/dbraw/zinc/60/56/03/1303605603.db2.gz QDJNACSPHRIVCY-UHFFFAOYSA-N -1 0 342.380 3.307 20 30 EGEDRM CC(C)NC(=O)C(C#N)=C([O-])c1cccn1[C@H](C)Cc1ccccc1 ZINC000773767317 1303737182 /nfs/dbraw/zinc/73/71/82/1303737182.db2.gz BDIYKSSXIWDFHJ-WBVHZDCISA-N -1 0 337.423 3.139 20 30 EGEDRM CC(C)NC(=O)C(C#N)=C([O-])c1cccn1[C@H](C)Cc1ccccc1 ZINC000773767312 1303737264 /nfs/dbraw/zinc/73/72/64/1303737264.db2.gz BDIYKSSXIWDFHJ-NVXWUHKLSA-N -1 0 337.423 3.139 20 30 EGEDRM CCO[C@@H]1CC(N=Nc2ccc(C(=O)[O-])cc2)[C@H]1Oc1ccccc1 ZINC000774302171 1303795449 /nfs/dbraw/zinc/79/54/49/1303795449.db2.gz QNMYHNRYHXNZEH-QZTJIDSGSA-N -1 0 340.379 3.409 20 30 EGEDRM CCO[C@H]1CC(N=Nc2ccc(C(=O)[O-])cc2)[C@@H]1Oc1ccccc1 ZINC000774302172 1303795564 /nfs/dbraw/zinc/79/55/64/1303795564.db2.gz QNMYHNRYHXNZEH-ROUUACIJSA-N -1 0 340.379 3.409 20 30 EGEDRM CC(=NOC1CCOCC1)c1cc(Br)c(F)cc1[O-] ZINC000774434866 1303809547 /nfs/dbraw/zinc/80/95/47/1303809547.db2.gz SJTUDHLOIVFSMD-UHFFFAOYSA-N -1 0 332.169 3.213 20 30 EGEDRM C=CCNC(=O)C(C#N)=C([O-])c1sc(C2CCCCC2)nc1C ZINC000775226432 1303926478 /nfs/dbraw/zinc/92/64/78/1303926478.db2.gz DKIJJGRUBQSXNM-CYBMUJFWSA-N -1 0 331.441 3.124 20 30 EGEDRM C#CCOc1ccccc1[N-]S(=O)(=O)c1cc(C)c(OC)c(C)c1 ZINC000775297955 1303936608 /nfs/dbraw/zinc/93/66/08/1303936608.db2.gz FUTMHGOVJSYTGC-UHFFFAOYSA-N -1 0 345.420 3.125 20 30 EGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)c1ccn(C(F)F)n1 ZINC000776074574 1304090121 /nfs/dbraw/zinc/09/01/21/1304090121.db2.gz KYIYWEGWDSYAQE-NSHDSACASA-N -1 0 342.305 3.273 20 30 EGEDRM CC(=NNc1cccc([N+](=O)[O-])c1)c1cc(C(=O)[O-])c(C)nc1C ZINC000776721169 1304187158 /nfs/dbraw/zinc/18/71/58/1304187158.db2.gz ZFHVZWOHEPNVKI-UHFFFAOYSA-N -1 0 328.328 3.141 20 30 EGEDRM CC(C)[C@H](Cc1ccccc1)NN=Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000777448402 1304298502 /nfs/dbraw/zinc/29/85/02/1304298502.db2.gz OOCJGFGBNCFJJF-KRWDZBQOSA-N -1 0 327.384 3.491 20 30 EGEDRM O=C([O-])COc1cccc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2F)c1 ZINC000777915145 1304365330 /nfs/dbraw/zinc/36/53/30/1304365330.db2.gz QKGQOBATTPWZMR-FNORWQNLSA-N -1 0 345.282 3.093 20 30 EGEDRM O=C([O-])COc1cccc(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2F)c1 ZINC000777915144 1304365706 /nfs/dbraw/zinc/36/57/06/1304365706.db2.gz QKGQOBATTPWZMR-ALCCZGGFSA-N -1 0 345.282 3.093 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(C)nc(Cl)c2)n1 ZINC000778617827 1304474711 /nfs/dbraw/zinc/47/47/11/1304474711.db2.gz KKJSUMGSLJLRJM-SNVBAGLBSA-N -1 0 349.799 3.167 20 30 EGEDRM C#CCCCCCC(=O)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000780291298 1304672691 /nfs/dbraw/zinc/67/26/91/1304672691.db2.gz TWENAVFNGYVGSK-UHFFFAOYSA-N -1 0 348.251 3.382 20 30 EGEDRM O=C1c2ccc(F)cc2OCC/C1=C\c1cc([O-])ccc1[N+](=O)[O-] ZINC000781554359 1304841255 /nfs/dbraw/zinc/84/12/55/1304841255.db2.gz NJJYJNZFSSTJCT-JXMROGBWSA-N -1 0 329.283 3.488 20 30 EGEDRM Cn1cc(-c2ccc(F)c(C(=O)Nc3cc(C#N)ccc3[O-])c2)cn1 ZINC000782755258 1305009517 /nfs/dbraw/zinc/00/95/17/1305009517.db2.gz QHKBXWIWUWNREU-UHFFFAOYSA-N -1 0 336.326 3.056 20 30 EGEDRM C=CCCN(OCc1ccccc1)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000783871291 1305155410 /nfs/dbraw/zinc/15/54/10/1305155410.db2.gz HFJWEYRWIGSYTM-UHFFFAOYSA-N -1 0 342.351 3.451 20 30 EGEDRM CN(C)C(=O)Sc1ccc(NC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000785407979 1305346081 /nfs/dbraw/zinc/34/60/81/1305346081.db2.gz FWNCYADMGRTPIF-UHFFFAOYSA-N -1 0 341.392 3.290 20 30 EGEDRM Cc1ccccc1C([O-])=C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786541758 1305594106 /nfs/dbraw/zinc/59/41/06/1305594106.db2.gz WPNMIRARIFJJAD-MRXNPFEDSA-N -1 0 326.783 3.287 20 30 EGEDRM N#CC(C(=O)NCc1ccc(F)c(F)c1)=C([O-])c1cccc(Cl)c1 ZINC000786570148 1305601221 /nfs/dbraw/zinc/60/12/21/1305601221.db2.gz HVVPUHYIMKCSIT-CYBMUJFWSA-N -1 0 348.736 3.257 20 30 EGEDRM CN(Cc1nc(=O)c2sccc2[n-]1)c1nc(Cl)c(C#N)s1 ZINC000787895188 1305819717 /nfs/dbraw/zinc/81/97/17/1305819717.db2.gz RRMPBGGVWRHCMS-UHFFFAOYSA-N -1 0 337.817 3.015 20 30 EGEDRM C=CCNC(=O)C(C#N)=C([O-])c1ccc(O[C@H](C)c2ccccc2)cc1 ZINC000788350703 1305927000 /nfs/dbraw/zinc/92/70/00/1305927000.db2.gz HGIZKEHOVIFBCU-DNVCBOLYSA-N -1 0 348.402 3.451 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc3ocnc32)c(Cl)c1 ZINC000790005972 1306246814 /nfs/dbraw/zinc/24/68/14/1306246814.db2.gz ZPQKEROQKURGOF-UHFFFAOYSA-N -1 0 333.756 3.154 20 30 EGEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)C[C@H](C)CC ZINC000791781770 1309063730 /nfs/dbraw/zinc/06/37/30/1309063730.db2.gz DCXCVCIQKCQLIR-MFKMUULPSA-N -1 0 332.400 3.136 20 30 EGEDRM CC[C@H](NN=Cc1ccc(OCc2ccc(F)cc2)cc1)C(=O)[O-] ZINC000793072897 1309290981 /nfs/dbraw/zinc/29/09/81/1309290981.db2.gz RBSBTYWJWSXPPD-KRWDZBQOSA-N -1 0 330.359 3.191 20 30 EGEDRM COc1cc(CN=Nc2cccc(Cl)n2)ccc1OCCC(=O)[O-] ZINC000793174941 1309312055 /nfs/dbraw/zinc/31/20/55/1309312055.db2.gz NQJQPMRNSCOGKG-UHFFFAOYSA-N -1 0 349.774 3.043 20 30 EGEDRM CC(C)Oc1cc(O)ccc1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000794594133 1309550460 /nfs/dbraw/zinc/55/04/60/1309550460.db2.gz JIQGFLCKSVXZLM-UHFFFAOYSA-N -1 0 346.408 3.046 20 30 EGEDRM O=c1c2ccccc2[n-]c(=S)n1N=CCc1cccc(Cl)c1 ZINC000794889647 1309616428 /nfs/dbraw/zinc/61/64/28/1309616428.db2.gz UMKOFSJAVXPZRS-UHFFFAOYSA-N -1 0 329.812 3.415 20 30 EGEDRM Cc1cc(C)c(C(=O)[O-])cc1/C=C\C(=O)c1cn(-c2ccccc2)nn1 ZINC000794940823 1309627648 /nfs/dbraw/zinc/62/76/48/1309627648.db2.gz CXSROPVBYRJLEJ-HJWRWDBZSA-N -1 0 347.374 3.478 20 30 EGEDRM O=C([O-])CCOc1cccc(/C=C2\CCc3ccc(O)cc3C2=O)c1 ZINC000794960830 1309633278 /nfs/dbraw/zinc/63/32/78/1309633278.db2.gz XGUSTWOHYHCSMP-XNTDXEJSSA-N -1 0 338.359 3.458 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2ccoc2C(C)C)n1 ZINC000796394955 1309991193 /nfs/dbraw/zinc/99/11/93/1309991193.db2.gz JWLPWNKJBDBJAT-GFCCVEGCSA-N -1 0 332.381 3.201 20 30 EGEDRM C=CCC(C)(C)C(=O)[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1C ZINC000797200775 1310156977 /nfs/dbraw/zinc/15/69/77/1310156977.db2.gz VMLRFONJTAJQLX-UHFFFAOYSA-N -1 0 345.848 3.064 20 30 EGEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1cc(C#N)oc1C)c1ccccc1 ZINC000797961252 1310276916 /nfs/dbraw/zinc/27/69/16/1310276916.db2.gz HSHTWUWVRNPHFA-SJORKVTESA-N -1 0 335.363 3.050 20 30 EGEDRM CC(C)COc1ccc(C(=O)/C=C/c2c(C(=O)[O-])cnn2C)cc1 ZINC000901435470 1317425561 /nfs/dbraw/zinc/42/55/61/1317425561.db2.gz ATXFGGYTXRBXRX-CMDGGOBGSA-N -1 0 328.368 3.049 20 30 EGEDRM Cc1nc(C(C)(C)C)sc1C(=O)/C=C/c1c(C(=O)[O-])cnn1C ZINC000901457429 1317429056 /nfs/dbraw/zinc/42/90/56/1317429056.db2.gz LDOWPBNYDCRQQA-VOTSOKGWSA-N -1 0 333.413 3.077 20 30 EGEDRM COCCCNC(=O)C(C#N)=C([O-])c1coc2ccc(C(C)C)cc12 ZINC000805851685 1317431623 /nfs/dbraw/zinc/43/16/23/1317431623.db2.gz NXGNENOFOSUWSG-HNNXBMFYSA-N -1 0 342.395 3.031 20 30 EGEDRM Cn1ncc(C(=O)[O-])c1/C=C\C(=O)c1ccc(OC(C)(C)C)cc1 ZINC000901492071 1317435590 /nfs/dbraw/zinc/43/55/90/1317435590.db2.gz YJFKSQKFEIMLIR-KTKRTIGZSA-N -1 0 328.368 3.192 20 30 EGEDRM Cc1nc2c(cccc2C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)o1 ZINC000805925852 1317440150 /nfs/dbraw/zinc/44/01/50/1317440150.db2.gz HRSZCTQRFINFTK-INIZCTEOSA-N -1 0 347.374 3.084 20 30 EGEDRM Cc1cccn2c(/C=C3\C[C@H](C(=O)[O-])c4ccccc4C3=O)cnc12 ZINC000806562309 1317501821 /nfs/dbraw/zinc/50/18/21/1317501821.db2.gz IHRWFGFUVVSZLN-VEMDQMBVSA-N -1 0 332.359 3.481 20 30 EGEDRM Cc1oc(C#N)cc1C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000807840561 1317591084 /nfs/dbraw/zinc/59/10/84/1317591084.db2.gz DSAREBREMQCUMZ-UHFFFAOYSA-N -1 0 325.151 3.402 20 30 EGEDRM CCCCn1cc(S(=O)(=O)[N-]c2sc(C)cc2C#N)c(C)n1 ZINC000903170195 1317667727 /nfs/dbraw/zinc/66/77/27/1317667727.db2.gz XUJPEYDPZOEVPD-UHFFFAOYSA-N -1 0 338.458 3.034 20 30 EGEDRM COc1ncc(C(=O)/C=C/c2ccc(O)c(C(=O)[O-])c2)cc1Cl ZINC000809155955 1317776208 /nfs/dbraw/zinc/77/62/08/1317776208.db2.gz AJMWZBRYQAIOEI-DUXPYHPUSA-N -1 0 333.727 3.044 20 30 EGEDRM COc1ccccc1S(=O)(=O)[N-]c1sc2c(c1C#N)CCCC2 ZINC000906074052 1318035025 /nfs/dbraw/zinc/03/50/25/1318035025.db2.gz SRUVQZZNIAGPOZ-UHFFFAOYSA-N -1 0 348.449 3.308 20 30 EGEDRM CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2ccccc2F)C1=O ZINC000906485329 1318108200 /nfs/dbraw/zinc/10/82/00/1318108200.db2.gz FWEUBANJPCUXGH-SFHVURJKSA-N -1 0 349.406 3.142 20 30 EGEDRM C[C@@H]1CCCN(c2cc(C(=O)Nc3cc(C#N)ccc3[O-])ccn2)C1 ZINC000812525804 1318405823 /nfs/dbraw/zinc/40/58/23/1318405823.db2.gz NHGCPWQUVCBFPM-CYBMUJFWSA-N -1 0 336.395 3.147 20 30 EGEDRM C#CCO[N-]C(=O)[C@@H](Sc1ccc(F)cc1F)c1ccccc1 ZINC000812785118 1318455420 /nfs/dbraw/zinc/45/54/20/1318455420.db2.gz UXZZTKCVIJVITI-INIZCTEOSA-N -1 0 333.359 3.479 20 30 EGEDRM O=C([O-])c1cc(NN=Cc2ccccc2-n2cncn2)ccc1Cl ZINC000814689743 1318800265 /nfs/dbraw/zinc/80/02/65/1318800265.db2.gz DQYKMTYENLTQFC-UHFFFAOYSA-N -1 0 341.758 3.065 20 30 EGEDRM Cc1cccc(NC(=S)NN=C2CC[C@@H](C(=O)[O-])[C@H](C)C2)c1C ZINC000814707373 1318801670 /nfs/dbraw/zinc/80/16/70/1318801670.db2.gz PKNSCFQEQQDPIF-BXUZGUMPSA-N -1 0 333.457 3.467 20 30 EGEDRM Cc1cccc(NC(=S)NN=C2CC[C@H](C(=O)[O-])[C@H](C)C2)c1C ZINC000814707377 1318802369 /nfs/dbraw/zinc/80/23/69/1318802369.db2.gz PKNSCFQEQQDPIF-RISCZKNCSA-N -1 0 333.457 3.467 20 30 EGEDRM C[C@@H]1C(=NNC(=S)NCc2ccccc2)CC[C@H](C(=O)[O-])C1(C)C ZINC000814715011 1318803380 /nfs/dbraw/zinc/80/33/80/1318803380.db2.gz WUQMRTABRFELLS-TZMCWYRMSA-N -1 0 347.484 3.164 20 30 EGEDRM C[C@@H]1C(=NNC(=S)NC2CCCCC2)CC[C@@H](C(=O)[O-])C1(C)C ZINC000814715881 1318804408 /nfs/dbraw/zinc/80/44/08/1318804408.db2.gz PAWBFVSBTVRXCT-YPMHNXCESA-N -1 0 339.505 3.296 20 30 EGEDRM CC(CCCCCCC(=O)[O-])N=Nc1ccc(S(C)(=O)=O)cc1 ZINC000814802428 1318821501 /nfs/dbraw/zinc/82/15/01/1318821501.db2.gz HEESOCKRCAABSQ-UHFFFAOYSA-N -1 0 340.445 3.303 20 30 EGEDRM CC(N=Nc1ccc(F)cn1)c1cccc(OCCCC(=O)[O-])c1 ZINC000814842534 1318830081 /nfs/dbraw/zinc/83/00/81/1318830081.db2.gz KZEBFZVFVSMYGI-UHFFFAOYSA-N -1 0 331.347 3.300 20 30 EGEDRM CC(CCc1ccc(O[C@@H](C)C(=O)[O-])cc1)N=Nc1ccc(F)cn1 ZINC000814843117 1318830621 /nfs/dbraw/zinc/83/06/21/1318830621.db2.gz ZKIIIEVSHWDWGU-ZDUSSCGKSA-N -1 0 345.374 3.493 20 30 EGEDRM CC(N=Nc1ccc(C(F)(F)F)nn1)c1csc(C(=O)[O-])c1 ZINC000814886735 1318839589 /nfs/dbraw/zinc/83/95/89/1318839589.db2.gz BXVBXZXZZBSYTP-UHFFFAOYSA-N -1 0 330.291 3.091 20 30 EGEDRM COC(=O)c1ccccc1N=NC1CC(C(=O)[O-])(c2ccccc2)C1 ZINC000814893853 1318841187 /nfs/dbraw/zinc/84/11/87/1318841187.db2.gz FFERRFVKVLEZBJ-UHFFFAOYSA-N -1 0 338.363 3.058 20 30 EGEDRM CC[C@@H](C)NN=C(C)c1cc(Br)ccc1OCC(=O)[O-] ZINC000814912776 1318847856 /nfs/dbraw/zinc/84/78/56/1318847856.db2.gz AOLKNANSWORVCU-SECBINFHSA-N -1 0 343.221 3.025 20 30 EGEDRM C[C@H](CCc1ccc2c(c1)OCO2)NN=C1CC[C@@H](CC(=O)[O-])[C@H]1C ZINC000814924546 1318849774 /nfs/dbraw/zinc/84/97/74/1318849774.db2.gz RHNYPSUZUHMUOH-NFAWXSAZSA-N -1 0 346.427 3.203 20 30 EGEDRM COC(=O)c1c(F)cccc1NN=Cc1cc(C(=O)[O-])c(C)cc1C ZINC000814923131 1318850702 /nfs/dbraw/zinc/85/07/02/1318850702.db2.gz MBXRGZQBEAQVRA-UHFFFAOYSA-N -1 0 344.342 3.373 20 30 EGEDRM CC(=NNC[C@H]1CCSC1)c1oc2cc(C)ccc2c1CC(=O)[O-] ZINC000814935622 1318854425 /nfs/dbraw/zinc/85/44/25/1318854425.db2.gz PWRBMTUOLCYEIA-CYBMUJFWSA-N -1 0 346.452 3.435 20 30 EGEDRM C[C@H](COc1ccccc1)NN=C1CC(C(=O)[O-])(c2ccccc2)C1 ZINC000814935898 1318854723 /nfs/dbraw/zinc/85/47/23/1318854723.db2.gz SNGIXNDABQTPDC-IWPPFLRJSA-N -1 0 338.407 3.216 20 30 EGEDRM C[C@@H](COc1ccccc1)NN=C1CC(C(=O)[O-])(c2ccccc2)C1 ZINC000814935899 1318854790 /nfs/dbraw/zinc/85/47/90/1318854790.db2.gz SNGIXNDABQTPDC-OOJLDXBWSA-N -1 0 338.407 3.216 20 30 EGEDRM C=CCC(F)(F)C(=O)[N-]OCc1ccc(F)cc1Br ZINC000816343708 1319140619 /nfs/dbraw/zinc/14/06/19/1319140619.db2.gz QJRGZHMSEYUVKZ-UHFFFAOYSA-N -1 0 338.123 3.347 20 30 EGEDRM COc1cccc(/C=C\C(=O)c2ccc(CC(=O)[O-])cc2)c1OC ZINC000915106268 1319422585 /nfs/dbraw/zinc/42/25/85/1319422585.db2.gz OSAREBBPHJVXHI-KHPPLWFESA-N -1 0 326.348 3.227 20 30 EGEDRM COc1cccc(/C=C/C(=O)c2ccc(CC(=O)[O-])cc2)c1OC ZINC000915106270 1319422680 /nfs/dbraw/zinc/42/26/80/1319422680.db2.gz OSAREBBPHJVXHI-ZHACJKMWSA-N -1 0 326.348 3.227 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cc([N+](=O)[O-])c(C)cc1C ZINC000817714598 1319427918 /nfs/dbraw/zinc/42/79/18/1319427918.db2.gz VAVTWIXSQZBYRZ-HNNXBMFYSA-N -1 0 345.399 3.231 20 30 EGEDRM O=C([O-])COc1ccccc1CN=Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000915976677 1319576002 /nfs/dbraw/zinc/57/60/02/1319576002.db2.gz XOJLNCCVFICFQY-UHFFFAOYSA-N -1 0 349.730 3.158 20 30 EGEDRM O=C(/C=C\c1ccc([O-])c([N+](=O)[O-])c1)c1ccc2c(c1)CCC(=O)N2 ZINC000915993139 1319580540 /nfs/dbraw/zinc/58/05/40/1319580540.db2.gz KJMIDEBDTFDXGB-BHQIHCQQSA-N -1 0 338.319 3.081 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cc(-c2ccccc2)[nH]n1 ZINC000916875858 1319719346 /nfs/dbraw/zinc/71/93/46/1319719346.db2.gz KPWNPVKTQKHJCO-OAHLLOKOSA-N -1 0 338.411 3.096 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)C(=O)NC2CCCCC2)c(C)n1C(C)C ZINC000916893578 1319721239 /nfs/dbraw/zinc/72/12/39/1319721239.db2.gz DSMFWRDJORJVFF-QGZVFWFLSA-N -1 0 329.444 3.457 20 30 EGEDRM O=C([O-])c1cc(NN=Cc2csc([N+](=O)[O-])c2)ccc1Cl ZINC000917532706 1319829828 /nfs/dbraw/zinc/82/98/28/1319829828.db2.gz PUOIPCBAYVBDSC-UHFFFAOYSA-N -1 0 325.733 3.454 20 30 EGEDRM C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1C ZINC000820326427 1319869720 /nfs/dbraw/zinc/86/97/20/1319869720.db2.gz SRNMDFMMSHJJEI-UHFFFAOYSA-N -1 0 349.374 3.421 20 30 EGEDRM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NCc2ccc(C#N)o2)c1 ZINC000825011576 1320303903 /nfs/dbraw/zinc/30/39/03/1320303903.db2.gz OXVITIAVVMZNON-UHFFFAOYSA-N -1 0 337.301 3.250 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc2c(c1)CC(C)(C)O2 ZINC000842683117 1321418231 /nfs/dbraw/zinc/41/82/31/1321418231.db2.gz GWWSDNXVFLZEPS-MRXNPFEDSA-N -1 0 342.439 3.419 20 30 EGEDRM N#CC1([N-]C(=O)C(F)(F)c2cccc(Cl)c2Cl)CCOCC1 ZINC000843568120 1321528772 /nfs/dbraw/zinc/52/87/72/1321528772.db2.gz NJTNUCDOROINDC-UHFFFAOYSA-N -1 0 349.164 3.274 20 30 EGEDRM CCOC(=O)[C@@H]1CCC(N=Nc2cccc(C(=O)[O-])c2C)C[C@H]1C ZINC000844624446 1321626115 /nfs/dbraw/zinc/62/61/15/1321626115.db2.gz PYUKSYPMDSDYCO-BXUZGUMPSA-N -1 0 332.400 3.460 20 30 EGEDRM C=C[C@@H](C)O[N-]C(=O)[C@H](CC(C)C)NC(=O)c1ccc(Cl)cc1 ZINC000846542243 1321791956 /nfs/dbraw/zinc/79/19/56/1321791956.db2.gz XPNTYMYBKBGLEQ-DOMZBBRYSA-N -1 0 338.835 3.107 20 30 EGEDRM CC(C)c1nn(C)c(Cl)c1C=NNc1ccc(CC(=O)[O-])cc1 ZINC000848416029 1321958459 /nfs/dbraw/zinc/95/84/59/1321958459.db2.gz WSGIHUSOFHORKR-UHFFFAOYSA-N -1 0 334.807 3.270 20 30 EGEDRM COC(=O)c1cccc(N=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])c1 ZINC000920942042 1322237213 /nfs/dbraw/zinc/23/72/13/1322237213.db2.gz HLUXOASVBPNRDR-UHFFFAOYSA-N -1 0 334.715 3.491 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccn(C)c1-c1ccccc1 ZINC000850751483 1322284236 /nfs/dbraw/zinc/28/42/36/1322284236.db2.gz CDUAGPBMDHXNEW-KRWDZBQOSA-N -1 0 337.423 3.321 20 30 EGEDRM CSc1cc(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)c(C)o1 ZINC000850977382 1322318555 /nfs/dbraw/zinc/31/85/55/1322318555.db2.gz SUUGIACFKIEWRH-HNNXBMFYSA-N -1 0 342.420 3.257 20 30 EGEDRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CCC[C@@H](C#N)C3)n2)cc1 ZINC000928221410 1328241184 /nfs/dbraw/zinc/24/11/84/1328241184.db2.gz OZNFOLYOLXWJKL-AWEZNQCLSA-N -1 0 338.411 3.077 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)N[C@H](C)c1cc2cccc(OCC)c2o1 ZINC000929026817 1328490631 /nfs/dbraw/zinc/49/06/31/1328490631.db2.gz UBGFLPZFFDXRNP-GFCCVEGCSA-N -1 0 346.383 3.175 20 30 EGEDRM C=C[C@]1(C)CC[C@@H](C(C)(C)Oc2n[n-]c(=O)cc2Br)O1 ZINC001226849171 1375345217 /nfs/dbraw/zinc/34/52/17/1375345217.db2.gz LWDRCESZJJXRPI-IINYFYTJSA-N -1 0 343.221 3.226 20 30 EGEDRM CC(C)C[C@H](C#N)NC(=O)CCC(=O)C=C([O-])c1ccc(Cl)cc1 ZINC001184119018 1387395511 /nfs/dbraw/zinc/39/55/11/1387395511.db2.gz TZKZDOAELJQYDO-OAHLLOKOSA-N -1 0 348.830 3.317 20 30 EGEDRM Cc1ccc(C)c([N-]S(=O)(=O)Cc2cc(F)cc(F)c2)c1C#N ZINC001185152308 1387626776 /nfs/dbraw/zinc/62/67/76/1387626776.db2.gz HUSBAEOBDAPUOS-UHFFFAOYSA-N -1 0 336.363 3.395 20 30 EGEDRM N#Cc1c(Br)cccc1[N-]S(=O)(=O)c1ccsc1 ZINC001185384274 1387699224 /nfs/dbraw/zinc/69/92/24/1387699224.db2.gz SUHYZFUBKPBRRH-UHFFFAOYSA-N -1 0 343.227 3.183 20 30 EGEDRM Cc1nsc([N-]S(=O)(=O)c2cc3ccccc3s2)c1C#N ZINC001185421093 1387710867 /nfs/dbraw/zinc/71/08/67/1387710867.db2.gz ICJOZWCIRIEFFY-UHFFFAOYSA-N -1 0 335.435 3.339 20 30 EGEDRM N#Cc1cc(NC(=O)c2cnc(-c3ccccc3)nc2)c([O-])cc1F ZINC001190021515 1367153941 /nfs/dbraw/zinc/15/39/41/1367153941.db2.gz DPKCUCNFBHLNAP-UHFFFAOYSA-N -1 0 334.310 3.112 20 30 EGEDRM COc1cccc(C#N)c1[N-]S(=O)(=O)c1ccc(C2CC2)cc1 ZINC001190500161 1367278516 /nfs/dbraw/zinc/27/85/16/1367278516.db2.gz PIVYKENNAQEEHS-UHFFFAOYSA-N -1 0 328.393 3.245 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(Cl)cc2C#N)c1 ZINC001190647993 1367315623 /nfs/dbraw/zinc/31/56/23/1367315623.db2.gz PRIOVUDZNASQCN-UHFFFAOYSA-N -1 0 335.747 3.023 20 30 EGEDRM COc1cc(C(=O)Nc2cccc(OC)c2C#N)cc(Cl)c1[O-] ZINC001191148845 1367433343 /nfs/dbraw/zinc/43/33/43/1367433343.db2.gz RWVCQEDHMJZJKK-UHFFFAOYSA-N -1 0 332.743 3.187 20 30 EGEDRM CCCCc1ccc(S(=O)(=O)[N-]c2c(O)cccc2C#N)cc1 ZINC001191253371 1367459841 /nfs/dbraw/zinc/45/98/41/1367459841.db2.gz OBWBZDGQFBAJHP-UHFFFAOYSA-N -1 0 330.409 3.407 20 30 EGEDRM Cc1ccc(-c2ccc(S(=O)(=O)[N-]c3oncc3C#N)cc2)cc1 ZINC001192064451 1367678450 /nfs/dbraw/zinc/67/84/50/1367678450.db2.gz UPQMFQDZDMHQRP-UHFFFAOYSA-N -1 0 339.376 3.323 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2ccc([C@H](C)C#N)cc2)cnc1Cl ZINC001192570513 1367820223 /nfs/dbraw/zinc/82/02/23/1367820223.db2.gz LOSYQHQIEZBRSF-LLVKDONJSA-N -1 0 335.816 3.471 20 30 EGEDRM C[C@H](C#N)S(=O)(=O)[N-]c1cc(Br)cc2ccccc21 ZINC001193160851 1367957016 /nfs/dbraw/zinc/95/70/16/1367957016.db2.gz IQUWXSVXLCEHQA-SECBINFHSA-N -1 0 339.214 3.256 20 30 EGEDRM Cc1cc(C)c(NC(=O)c2ccc([O-])c(C#N)c2)c(Br)n1 ZINC001193498271 1368046273 /nfs/dbraw/zinc/04/62/73/1368046273.db2.gz JRAOVRKQTGEXQL-UHFFFAOYSA-N -1 0 346.184 3.291 20 30 EGEDRM N#Cc1cc(C(=O)Nc2cc(F)c(Cl)nc2Cl)ccc1[O-] ZINC001193499014 1368045590 /nfs/dbraw/zinc/04/55/90/1368045590.db2.gz OVAMMAAOYZYWEM-UHFFFAOYSA-N -1 0 326.114 3.357 20 30 EGEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cccc(Cl)c2C)c1 ZINC001193635990 1368080557 /nfs/dbraw/zinc/08/05/57/1368080557.db2.gz IJKIBMKBKTZXLG-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM N#Cc1cccc(C(=O)NCc2cc3cc(Cl)ccc3[nH]2)c1[O-] ZINC001193658056 1368086999 /nfs/dbraw/zinc/08/69/99/1368086999.db2.gz RFLHIEJCEOVXOT-UHFFFAOYSA-N -1 0 325.755 3.329 20 30 EGEDRM N#Cc1cc(-c2ccccc2)oc1[N-]S(=O)(=O)c1ccccc1N ZINC001193895992 1368141636 /nfs/dbraw/zinc/14/16/36/1368141636.db2.gz QKECELZNTIRWLM-UHFFFAOYSA-N -1 0 339.376 3.201 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccc(-c3cccs3)cc2)cn1 ZINC001194141906 1368191598 /nfs/dbraw/zinc/19/15/98/1368191598.db2.gz LAKDTVVHYJAWJS-UHFFFAOYSA-N -1 0 341.417 3.483 20 30 EGEDRM Cc1cc(C#N)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)s1 ZINC001194262034 1368218628 /nfs/dbraw/zinc/21/86/28/1368218628.db2.gz YVVLCWANJUOVKW-UHFFFAOYSA-N -1 0 347.343 3.143 20 30 EGEDRM N#Cc1cc(NC(=O)c2cc(F)ccc2N2CCCC2)c([O-])cc1F ZINC001194467152 1368269510 /nfs/dbraw/zinc/26/95/10/1368269510.db2.gz DOXRELAHJCJJPY-UHFFFAOYSA-N -1 0 343.333 3.395 20 30 EGEDRM CCC[C@H](C(=O)c1ccccc1)N(C)C(=O)c1ccc(C#N)cc1[O-] ZINC001195751652 1368482888 /nfs/dbraw/zinc/48/28/88/1368482888.db2.gz WMXHYJBHSVLKLS-QGZVFWFLSA-N -1 0 336.391 3.387 20 30 EGEDRM COc1ccc(CNC(=O)c2ccc(C#N)cc2[O-])c2ccccc12 ZINC001195768182 1368485672 /nfs/dbraw/zinc/48/56/72/1368485672.db2.gz HZLPYXOMEJGFHF-UHFFFAOYSA-N -1 0 332.359 3.356 20 30 EGEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cnccc1C1CC1 ZINC001196650749 1368656188 /nfs/dbraw/zinc/65/61/88/1368656188.db2.gz YWVCQSBISDEURI-UHFFFAOYSA-N -1 0 333.800 3.285 20 30 EGEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1O ZINC001196679735 1368660768 /nfs/dbraw/zinc/66/07/68/1368660768.db2.gz IOUWVAZCEHOXFB-UHFFFAOYSA-N -1 0 343.191 3.371 20 30 EGEDRM N#Cc1cccc(C#N)c1[N-]S(=O)(=O)c1csc2ccccc21 ZINC001186493720 1387954814 /nfs/dbraw/zinc/95/48/14/1387954814.db2.gz JZAWDWLHGMRTPI-UHFFFAOYSA-N -1 0 339.401 3.445 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)c2csc3ccccc32)c(C#N)c1 ZINC001186509216 1387957788 /nfs/dbraw/zinc/95/77/88/1387957788.db2.gz UYUCXIIBZLWFET-UHFFFAOYSA-N -1 0 339.401 3.445 20 30 EGEDRM Cc1ccnc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2C#N)c1 ZINC001198004828 1368939918 /nfs/dbraw/zinc/93/99/18/1368939918.db2.gz WDZCYBJMXWMMDO-UHFFFAOYSA-N -1 0 341.314 3.081 20 30 EGEDRM N#Cc1cc([N-]S(=O)(=O)c2cccc(Cl)n2)ccc1Cl ZINC001198234184 1368986005 /nfs/dbraw/zinc/98/60/05/1368986005.db2.gz JVEQQWOTVKVURZ-UHFFFAOYSA-N -1 0 328.180 3.061 20 30 EGEDRM N#Cc1cc(Cl)cc([N-]S(=O)(=O)c2cccc(Cl)n2)c1 ZINC001198234540 1368985860 /nfs/dbraw/zinc/98/58/60/1368985860.db2.gz ODJQSLUXRXXCEH-UHFFFAOYSA-N -1 0 328.180 3.061 20 30 EGEDRM COc1ccc(S(=O)(=O)[N-]c2cc(C#N)cn2C(C)(C)C)c(C)c1 ZINC001198905137 1369146253 /nfs/dbraw/zinc/14/62/53/1369146253.db2.gz LOMFBSHRDZSGFC-UHFFFAOYSA-N -1 0 347.440 3.233 20 30 EGEDRM N#Cc1cccc2c1CC[C@H]2NC(=O)c1cc(F)c(F)c([O-])c1F ZINC001186798829 1388009871 /nfs/dbraw/zinc/00/98/71/1388009871.db2.gz WWLNBGKVOCKSTO-CYBMUJFWSA-N -1 0 332.281 3.098 20 30 EGEDRM N#Cc1cccc([N-]S(=O)(=O)c2cc3c(s2)CCCC3)c1F ZINC001187207329 1388071393 /nfs/dbraw/zinc/07/13/93/1388071393.db2.gz ZFAQYLHVEQWLIF-UHFFFAOYSA-N -1 0 336.413 3.438 20 30 EGEDRM N#CCc1ccc([N-]S(=O)(=O)c2cc3c(s2)CCCC3)cc1 ZINC001187207210 1388071407 /nfs/dbraw/zinc/07/14/07/1388071407.db2.gz UMMIIDFVJXNDNT-UHFFFAOYSA-N -1 0 332.450 3.494 20 30 EGEDRM N#Cc1cc(O)ccc1[N-]S(=O)(=O)c1cc2c(s1)CCCC2 ZINC001187214707 1388073940 /nfs/dbraw/zinc/07/39/40/1388073940.db2.gz CIRWKCVWGOLPGM-UHFFFAOYSA-N -1 0 334.422 3.005 20 30 EGEDRM COc1cc(/C=C/C(=O)c2ccc(OC)c(CC(=O)[O-])c2)ccc1F ZINC001116377142 1370898036 /nfs/dbraw/zinc/89/80/36/1370898036.db2.gz DIJRLCCFVPGZTN-QPJJXVBHSA-N -1 0 344.338 3.366 20 30 EGEDRM N#CCc1ccc(S(=O)(=O)[N-]c2nc(C3CCC3)cs2)cc1 ZINC001116811092 1370978726 /nfs/dbraw/zinc/97/87/26/1370978726.db2.gz AZDMLAHZWKVJPN-UHFFFAOYSA-N -1 0 333.438 3.277 20 30 EGEDRM N#Cc1cccnc1[N-]S(=O)(=O)CCc1cccc2ccccc21 ZINC001187614077 1388129883 /nfs/dbraw/zinc/12/98/83/1388129883.db2.gz BRENTEZKBWJRAC-UHFFFAOYSA-N -1 0 337.404 3.091 20 30 EGEDRM COC(=O)c1scc(C#N)c1[N-]C(=O)c1ccoc1C(F)(F)F ZINC001187712174 1388148818 /nfs/dbraw/zinc/14/88/18/1388148818.db2.gz YZIPSGNDSBNNEE-UHFFFAOYSA-N -1 0 344.270 3.270 20 30 EGEDRM N#Cc1c([O-])csc1Nc1ccc(F)c(C(=O)N2CCCC2)c1 ZINC001187855054 1388178084 /nfs/dbraw/zinc/17/80/84/1388178084.db2.gz GEWJPTNJPBZHRI-UHFFFAOYSA-N -1 0 331.372 3.444 20 30 EGEDRM N#Cc1ccc(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)cn1 ZINC001209616431 1372152888 /nfs/dbraw/zinc/15/28/88/1372152888.db2.gz VALLMVVLCVXSLF-UHFFFAOYSA-N -1 0 341.326 3.178 20 30 EGEDRM CC(C)(C)OC(=O)c1ccc(C([O-])=C(C#N)c2cccc(F)n2)cn1 ZINC001122732133 1372309609 /nfs/dbraw/zinc/30/96/09/1372309609.db2.gz RQDGSCAGVGIXSY-GFCCVEGCSA-N -1 0 341.342 3.061 20 30 EGEDRM COC(=O)c1sc(Nc2cccc(C(=O)[O-])c2OC)c(C#N)c1C ZINC001211033625 1372474058 /nfs/dbraw/zinc/47/40/58/1372474058.db2.gz NDTKTMBRFBIWDX-UHFFFAOYSA-N -1 0 346.364 3.165 20 30 EGEDRM Cc1cc(C)c(Nc2cc(C#N)cc([N+](=O)[O-])c2)c(S(=O)(=O)[O-])c1 ZINC001211333008 1372533231 /nfs/dbraw/zinc/53/32/31/1372533231.db2.gz ORMVUKYLCWCFFO-UHFFFAOYSA-N -1 0 347.352 3.074 20 30 EGEDRM CCCCCCCCS(=O)(=O)[N-]c1ncsc1C(=O)OC ZINC001187994255 1388208286 /nfs/dbraw/zinc/20/82/86/1388208286.db2.gz HKQOXRTVNWLIQY-UHFFFAOYSA-N -1 0 334.463 3.032 20 30 EGEDRM N#Cc1cc(Br)ccc1-c1noc(-c2ncccc2[O-])n1 ZINC001212480754 1372712726 /nfs/dbraw/zinc/71/27/26/1372712726.db2.gz GNJCPWRYKKSZFF-UHFFFAOYSA-N -1 0 343.140 3.138 20 30 EGEDRM CC(C)(C)c1ccc(-c2noc(-c3cc([O-])[nH]c(=O)c3)n2)c(C#N)c1 ZINC001212566345 1372729072 /nfs/dbraw/zinc/72/90/72/1372729072.db2.gz PNVOIVQZPUUMNA-UHFFFAOYSA-N -1 0 336.351 3.379 20 30 EGEDRM N#Cc1ccc(Br)c(Nc2cnc(F)c(C(=O)[O-])c2)c1 ZINC001215117569 1373172931 /nfs/dbraw/zinc/17/29/31/1373172931.db2.gz DYXCJEXINPJTGZ-UHFFFAOYSA-N -1 0 336.120 3.297 20 30 EGEDRM CCc1cc(Nc2ccc(OC)cc2S(=O)(=O)[O-])ccc1C#N ZINC001216316609 1373298747 /nfs/dbraw/zinc/29/87/47/1373298747.db2.gz KMAQNXMVWBPPNB-UHFFFAOYSA-N -1 0 332.381 3.120 20 30 EGEDRM COc1c(F)cc(F)cc1-c1noc(-c2ccc([O-])c(C#N)c2)n1 ZINC001216969883 1373373547 /nfs/dbraw/zinc/37/35/47/1373373547.db2.gz TYDYFYZTWDYWIQ-UHFFFAOYSA-N -1 0 329.262 3.268 20 30 EGEDRM N#Cc1cccc(-c2nc(-c3cccc(C4OCCO4)c3)no2)c1[O-] ZINC001216980140 1373374848 /nfs/dbraw/zinc/37/48/48/1373374848.db2.gz RDGVCEBPZNNTFD-UHFFFAOYSA-N -1 0 335.319 3.026 20 30 EGEDRM Cc1cc(-c2noc(-c3cc4ccc([O-])cc4oc3=O)n2)ccc1C#N ZINC001217438408 1373444482 /nfs/dbraw/zinc/44/44/82/1373444482.db2.gz JISWIMODWYRPCA-UHFFFAOYSA-N -1 0 345.314 3.396 20 30 EGEDRM N#Cc1cnoc1[N-]S(=O)(=O)c1ccc(-c2ccc(F)cc2)cc1 ZINC001188430132 1388308861 /nfs/dbraw/zinc/30/88/61/1388308861.db2.gz LGWHNAOFPFSLDF-UHFFFAOYSA-N -1 0 343.339 3.153 20 30 EGEDRM C[C@H](Oc1[n-]c(=O)c(F)cc1C#N)c1ncc(C(F)(F)F)cc1F ZINC001226008365 1375189850 /nfs/dbraw/zinc/18/98/50/1375189850.db2.gz GXRDTUGATLKQJK-LURJTMIESA-N -1 0 345.227 3.491 20 30 EGEDRM CCC[C@H](C#Cc1ccccc1)Oc1nc(C(=O)OC)ccc1O ZINC001227824643 1375480147 /nfs/dbraw/zinc/48/01/47/1375480147.db2.gz IUCALWJLJHAVMM-OAHLLOKOSA-N -1 0 325.364 3.173 20 30 EGEDRM C#C[C@@H]1CCC[C@H]1Oc1[n-]c(=O)nc2nc3cc(C)c(C)cc3nc21 ZINC001228685430 1375639430 /nfs/dbraw/zinc/63/94/30/1375639430.db2.gz GYYWPSNWHBETEV-IUODEOHRSA-N -1 0 334.379 3.076 20 30 EGEDRM C#CC(C#C)Oc1cc([O-])c(OC)c2oc(-c3ccccc3)cc(=O)c12 ZINC001229980208 1375925165 /nfs/dbraw/zinc/92/51/65/1375925165.db2.gz NZBHOCPSVWXHAG-UHFFFAOYSA-N -1 0 346.338 3.188 20 30 EGEDRM COC(=O)c1ccc2c(c1)nc(=O)[n-]c2O[C@@H](C)c1ccccc1C#N ZINC001230205134 1375966452 /nfs/dbraw/zinc/96/64/52/1375966452.db2.gz POCAROZUHKNVIX-NSHDSACASA-N -1 0 349.346 3.134 20 30 EGEDRM CC(C)(C(=O)Nc1nc(C#N)c(C#N)[n-]1)c1ccc(Cl)c(Cl)c1 ZINC001143814235 1378649581 /nfs/dbraw/zinc/64/95/81/1378649581.db2.gz AGHRNCLOZPHAMF-UHFFFAOYSA-N -1 0 348.193 3.376 20 30 EGEDRM N#Cc1nc(NC(=O)c2ccc(-c3cccc(F)c3)s2)[n-]c1C#N ZINC001143815465 1378649609 /nfs/dbraw/zinc/64/96/09/1378649609.db2.gz WLJUKHDHNVPPGI-UHFFFAOYSA-N -1 0 337.339 3.273 20 30 EGEDRM CC1(C#N)CCN(Cc2cc(Br)c(F)cc2[O-])CC1 ZINC001144306874 1378714137 /nfs/dbraw/zinc/71/41/37/1378714137.db2.gz VBLPQBAPWFJQLI-UHFFFAOYSA-N -1 0 327.197 3.419 20 30 EGEDRM COc1cc(C#N)c(F)cc1NC(=O)c1ccc2cccnc2c1[O-] ZINC001149322698 1379364946 /nfs/dbraw/zinc/36/49/46/1379364946.db2.gz PXHVJJSWGJBNMW-UHFFFAOYSA-N -1 0 337.310 3.212 20 30 EGEDRM N#Cc1cccc2[nH]nc(NC(=O)c3c(O)cc4ccccc4c3[O-])c21 ZINC001154023604 1380182951 /nfs/dbraw/zinc/18/29/51/1380182951.db2.gz ZCQNVYKFUXJLCN-UHFFFAOYSA-N -1 0 344.330 3.251 20 30 EGEDRM N#C[C@@H](CCc1ccccc1)C(=O)Nc1c(=O)[nH][n-]c1-c1ccccc1 ZINC001159366834 1381778080 /nfs/dbraw/zinc/77/80/80/1381778080.db2.gz SWBTWGKZFLNVKX-MRXNPFEDSA-N -1 0 346.390 3.493 20 30 EGEDRM CCOC(=O)c1c(C)oc(Nc2ccc(C(=O)[O-])cc2OC)c1C#N ZINC001174674931 1385132930 /nfs/dbraw/zinc/13/29/30/1385132930.db2.gz QQANIKUFGVSHQQ-UHFFFAOYSA-N -1 0 344.323 3.087 20 30 EGEDRM COc1cc(C#N)c(F)cc1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176679069 1385656882 /nfs/dbraw/zinc/65/68/82/1385656882.db2.gz BVWGLYWAYJOZNT-UHFFFAOYSA-N -1 0 331.259 3.056 20 30 EGEDRM N#Cc1cc(NC(=O)C2(c3ccccc3)CCOCC2)c([O-])cc1F ZINC001178719043 1386289822 /nfs/dbraw/zinc/28/98/22/1386289822.db2.gz CAYVHYLSPPATAD-UHFFFAOYSA-N -1 0 340.354 3.090 20 30 EGEDRM Cc1nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3C#N)cc2o1 ZINC001320651735 1386680346 /nfs/dbraw/zinc/68/03/46/1386680346.db2.gz YLYJOSGRJPXCON-UHFFFAOYSA-N -1 0 327.365 3.117 20 30 EGEDRM N#Cc1nc2ccc(NC(=O)C3(C(=O)[O-])CCCCC3)cc2s1 ZINC001180436763 1386796281 /nfs/dbraw/zinc/79/62/81/1386796281.db2.gz SSILZFJLZNBKBK-UHFFFAOYSA-N -1 0 329.381 3.142 20 30 EGEDRM C#Cc1cccc(NC(=O)N[C@H](Cc2ccccc2Cl)C(=O)[O-])c1 ZINC001321108870 1386811840 /nfs/dbraw/zinc/81/18/40/1386811840.db2.gz GQQMZIQLSAVMDR-MRXNPFEDSA-N -1 0 342.782 3.139 20 30 EGEDRM C=CC[C@@H](NC(=O)c1cc(SC)c(Cl)cc1Cl)C(=O)[O-] ZINC001321167074 1386828219 /nfs/dbraw/zinc/82/82/19/1386828219.db2.gz POPDTPNPDIXCAF-SNVBAGLBSA-N -1 0 334.224 3.474 20 30 EGEDRM C=CC[C@@H](NC(=O)Nc1ccc(OC(F)F)c(Cl)c1)C(=O)[O-] ZINC001321276917 1386863998 /nfs/dbraw/zinc/86/39/98/1386863998.db2.gz LJYMLCCSZRYZBQ-SECBINFHSA-N -1 0 334.706 3.092 20 30 EGEDRM COC(=O)C[C@@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])c1ccc(C)cc1 ZINC001321414481 1386897606 /nfs/dbraw/zinc/89/76/06/1386897606.db2.gz CBZLOPISJUFRPL-VXIUPONVSA-N -1 0 342.351 3.332 20 30 EGEDRM C=CC[C@@H](NC(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC001322603322 1387212182 /nfs/dbraw/zinc/21/21/82/1387212182.db2.gz ZMFGQMXEYKFLPY-LLVKDONJSA-N -1 0 336.800 3.223 20 30 EGEDRM N#CCc1ccc(S(=O)(=O)[N-]c2noc3ccc(Cl)cc32)cc1 ZINC001330194977 1389336553 /nfs/dbraw/zinc/33/65/53/1389336553.db2.gz XZMKZRWCWKXCSW-UHFFFAOYSA-N -1 0 347.783 3.348 20 30 EGEDRM CC[C@H](C(=O)[N-]S(=O)(=O)c1ccccc1C#N)C1CCC(C)CC1 ZINC001337988226 1389506090 /nfs/dbraw/zinc/50/60/90/1389506090.db2.gz NTFVIRHEOGRMLK-XUJLQICISA-N -1 0 348.468 3.216 20 30 EGEDRM COc1nc(Cl)c(/C=C/C(=O)c2ccc([O-])c(Cl)c2)n1C ZINC001338093081 1389541192 /nfs/dbraw/zinc/54/11/92/1389541192.db2.gz HEQYOKUCVWEZCB-GQCTYLIASA-N -1 0 327.167 3.337 20 30 EGEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1ccc2scnc2c1 ZINC001342037561 1390563953 /nfs/dbraw/zinc/56/39/53/1390563953.db2.gz VKCMJMYNRYRWNC-CYBMUJFWSA-N -1 0 327.409 3.068 20 30 EGEDRM Cn1nc(C([O-])=C(C#N)c2nccn2Cc2ccccc2)cc1C1CC1 ZINC001342926367 1390673544 /nfs/dbraw/zinc/67/35/44/1390673544.db2.gz YMLIPPVJDKTCLA-MRXNPFEDSA-N -1 0 345.406 3.032 20 30 EGEDRM CCCc1noc2nc(C3CC3)cc(C([O-])=C(C#N)c3nccn3C)c12 ZINC001343850844 1390740152 /nfs/dbraw/zinc/74/01/52/1390740152.db2.gz GVTKEFLEDAKFML-ZDUSSCGKSA-N -1 0 349.394 3.276 20 30 EGEDRM C=CC[C@@H](NC(=O)c1cnn(-c2ccccc2C)c1C(C)C)C(=O)[O-] ZINC001347049059 1390996096 /nfs/dbraw/zinc/99/60/96/1390996096.db2.gz MTMAITUHKPGCEB-OAHLLOKOSA-N -1 0 341.411 3.063 20 30 EGEDRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1cccc(C#N)c1C ZINC001347550515 1391091769 /nfs/dbraw/zinc/09/17/69/1391091769.db2.gz IDHXGDBCDIAIRG-QGZVFWFLSA-N -1 0 342.420 3.078 20 30 EGEDRM CCn1ccnc1[C@@H](C#N)C(=O)c1nn(-c2ccccc2)c2c1CCC2 ZINC001349701606 1391355266 /nfs/dbraw/zinc/35/52/66/1391355266.db2.gz HIFRNNIWUJBHPA-INIZCTEOSA-N -1 0 345.406 3.067 20 30 EGEDRM Clc1cc(-c2nn[n-]n2)cc(NN=Cc2coc3ccccc23)n1 ZINC000826350628 1428804215 /nfs/dbraw/zinc/80/42/15/1428804215.db2.gz FFSGWWZGFPWAKQ-UHFFFAOYSA-N -1 0 339.746 3.107 20 30 EGEDRM Clc1cc(NN=Cc2csc(C3CC3)n2)ccc1-c1nn[n-]n1 ZINC000826351470 1423460275 /nfs/dbraw/zinc/46/02/75/1423460275.db2.gz NSJCAGABASOXSF-UHFFFAOYSA-N -1 0 345.819 3.300 20 30 EGEDRM C=C[C@@H](CC(=O)OCc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000823883181 1423827335 /nfs/dbraw/zinc/82/73/35/1423827335.db2.gz KIDPNWISTDPEPA-AWEZNQCLSA-N -1 0 334.379 3.270 20 30 EGEDRM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1oc2ccccc2c1C ZINC000819773549 1424414959 /nfs/dbraw/zinc/41/49/59/1424414959.db2.gz UDIYFSFTCUOEDU-UHFFFAOYSA-N -1 0 346.394 3.435 20 30 EGEDRM CC(=NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccccc1F ZINC000823958305 1425499098 /nfs/dbraw/zinc/49/90/98/1425499098.db2.gz IFAAUWBRNJDUNI-UHFFFAOYSA-N -1 0 330.754 3.495 20 30 EGEDRM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1cc(Cl)ccc1[O-] ZINC000822922498 1425691784 /nfs/dbraw/zinc/69/17/84/1425691784.db2.gz GPRJCJPUBPQCQO-HWKANZROSA-N -1 0 344.733 3.261 20 30 EGEDRM O=C(C=Cc1cc(F)ccc1F)c1ccc(-c2nn[n-]n2)cc1F ZINC000826400462 1425954506 /nfs/dbraw/zinc/95/45/06/1425954506.db2.gz ZNTSILRZLKOACU-QHHAFSJGSA-N -1 0 330.269 3.180 20 30 EGEDRM C=C[C@@H](CC(=O)OCc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000823883209 1426109263 /nfs/dbraw/zinc/10/92/63/1426109263.db2.gz KVAOFJUSDYVUBM-HNNXBMFYSA-N -1 0 334.379 3.270 20 30 EGEDRM Cc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1F ZINC000826285699 1426975714 /nfs/dbraw/zinc/97/57/14/1426975714.db2.gz HOOHAOHPDUYGEJ-QPJJXVBHSA-N -1 0 326.306 3.349 20 30 EGEDRM N#Cc1ccc(F)cc1CSCc1ccc(F)cc1-c1nn[n-]n1 ZINC000822829982 1427031761 /nfs/dbraw/zinc/03/17/61/1427031761.db2.gz RUSOTVFAKPFSOY-UHFFFAOYSA-N -1 0 343.362 3.450 20 30 EGEDRM Cc1c(NCc2cccc(OCCCC#N)c2)cccc1-c1nn[n-]n1 ZINC000826242123 1427169609 /nfs/dbraw/zinc/16/96/09/1427169609.db2.gz ASKJKEXHYOFNBZ-UHFFFAOYSA-N -1 0 348.410 3.470 20 30 EGEDRM Clc1cc(-c2nn[n-]n2)cc(N=NC[C@@H]2C[C@@H]2c2ccccc2)n1 ZINC000826349966 1427363402 /nfs/dbraw/zinc/36/34/02/1427363402.db2.gz BIAVYLQCRPZMFN-QWHCGFSZSA-N -1 0 339.790 3.117 20 30 EGEDRM N#Cc1c(Cl)nsc1Oc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000826383209 1427543156 /nfs/dbraw/zinc/54/31/56/1427543156.db2.gz PBNGTLYLBGJHRH-UHFFFAOYSA-N -1 0 339.167 3.294 20 30 EGEDRM C=CCC(CC=C)C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000819734314 1427631479 /nfs/dbraw/zinc/63/14/79/1427631479.db2.gz LQOLJNXZTDZBOX-UHFFFAOYSA-N -1 0 341.415 3.361 20 30 EGEDRM Clc1ccnc(NN=C2CCCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC000826353992 1428111416 /nfs/dbraw/zinc/11/14/16/1428111416.db2.gz LUCVFLMWMFDTQL-UHFFFAOYSA-N -1 0 339.790 3.068 20 30 EGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H](C)C(CC)CC ZINC000823910030 1429867401 /nfs/dbraw/zinc/86/74/01/1429867401.db2.gz WLODWAWQOJJOPC-CQSZACIVSA-N -1 0 341.459 3.454 20 30 EGEDRM CC(C)(C#N)C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735571581 1429911833 /nfs/dbraw/zinc/91/18/33/1429911833.db2.gz FSULYQILSOAKMB-UHFFFAOYSA-N -1 0 348.366 3.147 20 30 EGEDRM N#C[C@H](Cc1ccccc1)Sc1ccc(-c2nn[n-]n2)cc1F ZINC000737674865 1429917688 /nfs/dbraw/zinc/91/76/88/1429917688.db2.gz MACIGATUPSIKEM-ZDUSSCGKSA-N -1 0 325.372 3.233 20 30 EGEDRM CC(=NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1scnc1C ZINC000823958069 1429974726 /nfs/dbraw/zinc/97/47/26/1429974726.db2.gz AOPONFKMQRNRFD-UHFFFAOYSA-N -1 0 333.808 3.121 20 30 EGEDRM FC(F)(F)c1ccc(CON=Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826368194 1429996646 /nfs/dbraw/zinc/99/66/46/1429996646.db2.gz GFUMDWBHUGLEAC-UHFFFAOYSA-N -1 0 347.300 3.436 20 30 EGEDRM Cn1cc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)c2ccccc21 ZINC000822669999 1441614255 /nfs/dbraw/zinc/61/42/55/1441614255.db2.gz XVOGPIISWUFZJB-SREVYHEPSA-N -1 0 335.392 3.316 20 30 EGEDRM CCOc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821418263 1442163314 /nfs/dbraw/zinc/16/33/14/1442163314.db2.gz YISXINHIQQSSHI-VQHVLOKHSA-N -1 0 326.381 3.223 20 30 EGEDRM Cc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)ccc1F ZINC000826266428 1443089676 /nfs/dbraw/zinc/08/96/76/1443089676.db2.gz OGIFZMYILJTESM-XVNBXDOJSA-N -1 0 326.306 3.349 20 30 EGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C=CC(=CC)CC ZINC000819743676 1443454454 /nfs/dbraw/zinc/45/44/54/1443454454.db2.gz NXKLCQHVHLEJCR-VAGDOFJSSA-N -1 0 337.427 3.294 20 30 EGEDRM N#Cc1ccc(CNc2ccc(-c3nn[n-]n3)cc2Cl)c(F)c1 ZINC000822826082 1443757511 /nfs/dbraw/zinc/75/75/11/1443757511.db2.gz UILYUOSEMFAXAN-UHFFFAOYSA-N -1 0 328.738 3.143 20 30 EGEDRM C[C@@H]1C[C@H](C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)CC(C)(C)C1 ZINC000824865392 1443826405 /nfs/dbraw/zinc/82/64/05/1443826405.db2.gz IFQQDGVWFXPBGG-YPMHNXCESA-N -1 0 338.415 3.139 20 30 EGEDRM C=CCOc1ccc(Oc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1 ZINC000819758790 1446318034 /nfs/dbraw/zinc/31/80/34/1446318034.db2.gz HIGHEAQIGLQYEH-UHFFFAOYSA-N -1 0 329.747 3.272 20 30 EGEDRM Cc1nc(-c2nn[n-]n2)c(N=NC2CC(c3cccc(Cl)c3)C2)o1 ZINC000826322852 1446547096 /nfs/dbraw/zinc/54/70/96/1446547096.db2.gz DPLKKLBDXLULDD-UHFFFAOYSA-N -1 0 343.778 3.162 20 30 EGEDRM C=CCCCC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000819734892 1446717355 /nfs/dbraw/zinc/71/73/55/1446717355.db2.gz WXOALDIFDZMIQP-UHFFFAOYSA-N -1 0 327.432 3.208 20 30 EGEDRM COc1ccc(CNc2cc(Cl)ccc2C#N)cc1-c1nn[n-]n1 ZINC000826203315 1446977480 /nfs/dbraw/zinc/97/74/80/1446977480.db2.gz IZDKVCUVMPLSHQ-UHFFFAOYSA-N -1 0 340.774 3.012 20 30 EGEDRM O=C1c2cccc(F)c2SCC1=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000823503017 1447309878 /nfs/dbraw/zinc/30/98/78/1447309878.db2.gz AHBVUFWFZYZLAC-WQLSENKSSA-N -1 0 338.367 3.378 20 30 EGEDRM CCCCCCCC(=O)N[C@H](C(=O)[O-])c1ccc(OC)c(F)c1 ZINC000836754909 939225901 /nfs/dbraw/zinc/22/59/01/939225901.db2.gz WDNWZZSMNHUNHF-INIZCTEOSA-N -1 0 325.380 3.437 20 30 EGEDRM C#CCCCCC(=O)N[C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000910379912 939755068 /nfs/dbraw/zinc/75/50/68/939755068.db2.gz LYPWUSOFAIRDST-AWEZNQCLSA-N -1 0 327.302 3.141 20 30 EGEDRM N#Cc1ccc(C(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)s1 ZINC001611295845 970980158 /nfs/dbraw/zinc/98/01/58/970980158.db2.gz NQEHRNSZAVHYTJ-UHFFFAOYSA-N -1 0 340.404 3.338 20 30 EGEDRM C=C(C)CN(CC)C(=O)COc1c(C(=O)[O-])ccc2ccccc21 ZINC000324666359 971145312 /nfs/dbraw/zinc/14/53/12/971145312.db2.gz FLLFXQZJANVRPS-UHFFFAOYSA-N -1 0 327.380 3.341 20 30 EGEDRM C#CCCOc1ccc(C(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC001602675850 971255107 /nfs/dbraw/zinc/25/51/07/971255107.db2.gz WOFGWNVQRFXMBO-GOSISDBHSA-N -1 0 349.386 3.307 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)Nc1cc(-c2ccc(C)o2)ccc1C ZINC001602688353 971289871 /nfs/dbraw/zinc/28/98/71/971289871.db2.gz KXQOSXZNIYTFDI-UHFFFAOYSA-N -1 0 326.352 3.115 20 30 EGEDRM CC[C@]1(C(=O)[O-])CCCN(C(=O)C[C@@H](CC#N)c2ccccc2)C1 ZINC001589592558 949107200 /nfs/dbraw/zinc/10/72/00/949107200.db2.gz YHAXICPFFIPVES-APWZRJJASA-N -1 0 328.412 3.177 20 30 EGEDRM CCCCN(Cc1c(C)oc(C)c1C)C(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC001589650194 949768387 /nfs/dbraw/zinc/76/83/87/949768387.db2.gz CGCBFTKAUOGRNB-GOSISDBHSA-N -1 0 334.416 3.338 20 30 EGEDRM CC(C)(C)CCN(CCc1ccccc1)C(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC001602861830 971725716 /nfs/dbraw/zinc/72/57/16/971725716.db2.gz OXQFKZNDNYTZBD-HXUWFJFHSA-N -1 0 344.455 3.498 20 30 EGEDRM N#Cc1ccc(C2(C(=O)N[C@H]3C[C@H](C(=O)[O-])c4ccccc43)CC2)cc1 ZINC001594618360 956263247 /nfs/dbraw/zinc/26/32/47/956263247.db2.gz KQYZMGPSPFYQRN-ROUUACIJSA-N -1 0 346.386 3.019 20 30 EGEDRM N#Cc1ccc(NC(=O)[C@]2(C(=O)[O-])CC=CCC2)cc1C(F)(F)F ZINC001594623153 956296162 /nfs/dbraw/zinc/29/61/62/956296162.db2.gz WXIKOOQZKGRKNN-HNNXBMFYSA-N -1 0 338.285 3.327 20 30 EGEDRM N#Cc1ccccc1N(Cc1ccco1)C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001594632469 956352507 /nfs/dbraw/zinc/35/25/07/956352507.db2.gz ZWARWEDIHKMXAI-UONOGXRCSA-N -1 0 338.363 3.185 20 30 EGEDRM C[C@@H](OC(=O)[C@@](C)(C#N)CC(=O)[O-])c1ccc(Br)cc1 ZINC001589154407 956362820 /nfs/dbraw/zinc/36/28/20/956362820.db2.gz UDRSTSGBVWAQIK-YMTOWFKASA-N -1 0 340.173 3.058 20 30 EGEDRM C[C@H](S[C@@H](C)C(=O)C=C1N(C)c2ccccc2C1(C)C)C(=O)[O-] ZINC001589168900 956449376 /nfs/dbraw/zinc/44/93/76/956449376.db2.gz TVEZUVLDTHTWOO-MJQZAILXSA-N -1 0 333.453 3.462 20 30 EGEDRM N#CCSc1ccccc1NC(=O)COc1ccc(C(=O)[O-])cc1 ZINC000013413050 957055160 /nfs/dbraw/zinc/05/51/60/957055160.db2.gz XLVPQLRTCWOKDU-UHFFFAOYSA-N -1 0 342.376 3.018 20 30 EGEDRM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cccc(C(=O)[O-])c1 ZINC000911747723 957090756 /nfs/dbraw/zinc/09/07/56/957090756.db2.gz MSLDWZOFPIUHRF-UHFFFAOYSA-N -1 0 341.411 3.381 20 30 EGEDRM COc1cc(C#N)cc(Cl)c1OC(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001594050096 957973046 /nfs/dbraw/zinc/97/30/46/957973046.db2.gz QPFXOJGYVJSCSC-IHWYPQMZSA-N -1 0 347.710 3.130 20 30 EGEDRM Cc1ccc(C#N)cc1NC(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001594342816 958309921 /nfs/dbraw/zinc/30/99/21/958309921.db2.gz WYSGPJKPVDAAPM-LJQANCHMSA-N -1 0 337.379 3.031 20 30 EGEDRM C#Cc1ccccc1CC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC001588439350 958316406 /nfs/dbraw/zinc/31/64/06/958316406.db2.gz MYYODBIZFFJXAA-UHFFFAOYSA-N -1 0 339.416 3.488 20 30 EGEDRM C[C@@H](C(=O)[O-])C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC001573372337 958636375 /nfs/dbraw/zinc/63/63/75/958636375.db2.gz OVNXGLQTERSNDR-SNVBAGLBSA-N -1 0 328.299 3.149 20 30 EGEDRM C[C@H](C#N)CSc1ccccc1NC(=O)N([C@@H](C)C(=O)[O-])C1CC1 ZINC001588543424 958977662 /nfs/dbraw/zinc/97/76/62/958977662.db2.gz LQCIGKPXRXJHRK-NEPJUHHUSA-N -1 0 347.440 3.408 20 30 EGEDRM C[C@H](C(=O)[O-])C(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 ZINC001588584465 959287949 /nfs/dbraw/zinc/28/79/49/959287949.db2.gz DSZFKNHEPVHGDD-VHSXEESVSA-N -1 0 334.441 3.430 20 30 EGEDRM C=CCOc1ccccc1C(=O)Nc1ccc(C(=O)[O-])c(OC)c1 ZINC000392186932 972422699 /nfs/dbraw/zinc/42/26/99/972422699.db2.gz GEMGPOCMYMHHDA-UHFFFAOYSA-N -1 0 327.336 3.211 20 30 EGEDRM CC(C)(C(=O)Nc1ccc(O)c(C(=O)[O-])c1)c1cc(F)cc(C#N)c1 ZINC001588611017 959506372 /nfs/dbraw/zinc/50/63/72/959506372.db2.gz IEWDCJVQVXORLX-UHFFFAOYSA-N -1 0 342.326 3.017 20 30 EGEDRM CCC(CC)(C(=O)[O-])C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC001573777882 960706643 /nfs/dbraw/zinc/70/66/43/960706643.db2.gz IWTZZHZGRDSCTM-UHFFFAOYSA-N -1 0 341.329 3.064 20 30 EGEDRM C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC(CCC(=O)[O-])CC1 ZINC001263072744 960868436 /nfs/dbraw/zinc/86/84/36/960868436.db2.gz IYUSPRYHADKUQY-GOSISDBHSA-N -1 0 344.455 3.460 20 30 EGEDRM CC(C)(CCNC(=O)c1cn(CCCC#N)c2ccccc12)C(=O)[O-] ZINC001588775461 961280563 /nfs/dbraw/zinc/28/05/63/961280563.db2.gz LCGWJQSEIXSJJS-UHFFFAOYSA-N -1 0 341.411 3.176 20 30 EGEDRM N#Cc1ccc(NC(=O)[C@H](C(=O)[O-])C2CCCC2)cc1C(F)(F)F ZINC001574487670 961687544 /nfs/dbraw/zinc/68/75/44/961687544.db2.gz DZIFCIBEOVFNKQ-CYBMUJFWSA-N -1 0 340.301 3.407 20 30 EGEDRM CCC(CC)(CNC(=O)N(C)[C@H](C)c1cccc(C#N)c1)C(=O)[O-] ZINC001341254421 962121983 /nfs/dbraw/zinc/12/19/83/962121983.db2.gz ADOGPAPOIKXKMK-CYBMUJFWSA-N -1 0 331.416 3.152 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1c(C)onc1-c1cccs1)C(=O)[O-] ZINC001349953702 962502818 /nfs/dbraw/zinc/50/28/18/962502818.db2.gz GOVMPJINNYKTOW-NSHDSACASA-N -1 0 334.397 3.251 20 30 EGEDRM C=C(C)C[C@H](NCc1ccc(C(=O)[O-])c(Cl)c1)C(=O)OCC ZINC001573323371 962770468 /nfs/dbraw/zinc/77/04/68/962770468.db2.gz ANZGLINSEWSXEW-AWEZNQCLSA-N -1 0 325.792 3.026 20 30 EGEDRM C=C(C)COCCNC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC001573326383 962802983 /nfs/dbraw/zinc/80/29/83/962802983.db2.gz VMFVSNKRBGBXNO-UHFFFAOYSA-N -1 0 334.397 3.314 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N(CCC(F)(F)F)Cc1ccccc1 ZINC001573326565 962804594 /nfs/dbraw/zinc/80/45/94/962804594.db2.gz YQDWSDCIJYFGEJ-UHFFFAOYSA-N -1 0 329.318 3.389 20 30 EGEDRM C=C[C@@H](C(=O)NC[C@H](C(=O)[O-])c1ccc(F)cc1)c1ccccc1 ZINC001573345416 962933500 /nfs/dbraw/zinc/93/35/00/962933500.db2.gz SKGPGUVYMYGUFL-SJORKVTESA-N -1 0 327.355 3.080 20 30 EGEDRM C=CC(C)(C)CNC(=O)Nc1ccc(OCC(=O)[O-])c2ncccc12 ZINC001573347576 962949428 /nfs/dbraw/zinc/94/94/28/962949428.db2.gz MJTBNPLPQIFFDO-UHFFFAOYSA-N -1 0 343.383 3.032 20 30 EGEDRM C=CCCC[C@@H](NC(=O)CCOc1ccc(F)c(Cl)c1)C(=O)[O-] ZINC001573358480 963027677 /nfs/dbraw/zinc/02/76/77/963027677.db2.gz ZZKLQPYELMWFDQ-CQSZACIVSA-N -1 0 343.782 3.174 20 30 EGEDRM C=CCN(CC1CCCCC1)C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 ZINC001573360649 963041813 /nfs/dbraw/zinc/04/18/13/963041813.db2.gz TZLRUHSSRCNDMD-VQHPVUNQSA-N -1 0 334.460 3.264 20 30 EGEDRM C#CCCCCCC(=O)N1CCCC[C@@H]1c1ccc(C(=O)[O-])n1C ZINC001588440591 964040645 /nfs/dbraw/zinc/04/06/45/964040645.db2.gz BWCPRAGQABCSDT-MRXNPFEDSA-N -1 0 330.428 3.361 20 30 EGEDRM CN1C(=O)CCc2cc(C(=O)/C=C\c3ccc(C(=O)[O-])cc3)ccc21 ZINC000754689807 969156585 /nfs/dbraw/zinc/15/65/85/969156585.db2.gz NDRAGNQFKVXXBL-WMZJFQQLSA-N -1 0 335.359 3.190 20 30 EGEDRM CCCCCCCCC(=O)N1C[C@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1 ZINC000868452070 969340889 /nfs/dbraw/zinc/34/08/89/969340889.db2.gz SKVNYHMIYUXLMV-HZPDHXFCSA-N -1 0 349.475 3.187 20 30 EGEDRM CC[C@H](CNC(=O)Nc1cccc(C#Cc2cccs2)c1)C(=O)[O-] ZINC001603565824 973686673 /nfs/dbraw/zinc/68/66/73/973686673.db2.gz LBPWYYPKFCTMSL-CQSZACIVSA-N -1 0 342.420 3.380 20 30 EGEDRM N#Cc1ccsc1NC(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001605622889 973944694 /nfs/dbraw/zinc/94/46/94/973944694.db2.gz HNUHMWUQSBBDCQ-QWHCGFSZSA-N -1 0 327.365 3.054 20 30 EGEDRM COc1ccc(NC(=O)Nc2cccc(CCC(=O)[O-])c2)cc1C#N ZINC001604820732 974057054 /nfs/dbraw/zinc/05/70/54/974057054.db2.gz PGHZIWGCTRUVNB-UHFFFAOYSA-N -1 0 339.351 3.228 20 30 EGEDRM CC(C)Oc1ccc(NC(=O)N[C@H](CC(=O)[O-])C(C)(C)C)cc1C#N ZINC001591786577 975957893 /nfs/dbraw/zinc/95/78/93/975957893.db2.gz ITBFFIKZCPNPAG-OAHLLOKOSA-N -1 0 347.415 3.356 20 30 EGEDRM C[C@@](CC(=O)[O-])(NCc1ccc(F)cc1C#N)c1cccc(F)c1 ZINC001592329324 977756762 /nfs/dbraw/zinc/75/67/62/977756762.db2.gz VJIHYBZZOJIOFQ-SFHVURJKSA-N -1 0 330.334 3.316 20 30 EGEDRM CC(CC(C)(C)CC(=O)[O-])=NNC(=S)NCCc1cccs1 ZINC001592444175 978100836 /nfs/dbraw/zinc/10/08/36/978100836.db2.gz KYNYUYUYCVTMGM-UHFFFAOYSA-N -1 0 341.502 3.022 20 30 EGEDRM COc1ccc(C)cc1C(=O)/C=C/c1ccc(OCC(=O)[O-])cc1 ZINC000747168493 978686292 /nfs/dbraw/zinc/68/62/92/978686292.db2.gz NCODEAKCWVQWIZ-RMKNXTFCSA-N -1 0 326.348 3.363 20 30 EGEDRM CCOc1ccc([N+](=O)[O-])cc1C=NNc1ccccc1C(=O)[O-] ZINC000748582815 978687669 /nfs/dbraw/zinc/68/76/69/978687669.db2.gz JPRDEOWWSVYWGA-UHFFFAOYSA-N -1 0 329.312 3.138 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1N=NCCCc1ccc2c(c1)CCO2 ZINC000774394306 978746968 /nfs/dbraw/zinc/74/69/68/978746968.db2.gz NMCHUGAWDNQIBE-UHFFFAOYSA-N -1 0 340.379 3.359 20 30 EGEDRM O=C([O-])Cn1cc(C=NNc2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000799865558 978841763 /nfs/dbraw/zinc/84/17/63/978841763.db2.gz RXRHAFKQFCNDJZ-UHFFFAOYSA-N -1 0 338.323 3.080 20 30 EGEDRM COc1ccc2c(c1F)CCC2=NNc1ccc(C(=O)[O-])cc1OC ZINC000807981533 978851669 /nfs/dbraw/zinc/85/16/69/978851669.db2.gz JELLVXDUMJRYCC-UHFFFAOYSA-N -1 0 344.342 3.304 20 30 EGEDRM C[C@H]1C(N=Nc2ccnc(Br)c2)CC[C@H]1CC(=O)[O-] ZINC000814904448 978898062 /nfs/dbraw/zinc/89/80/62/978898062.db2.gz JURYYVXGBNQETA-BDAKNGLRSA-N -1 0 326.194 3.133 20 30 EGEDRM C[C@](COC(=O)c1ccc(C#N)c(Cl)c1)(C(=O)[O-])c1ccccc1 ZINC001592772504 979392052 /nfs/dbraw/zinc/39/20/52/979392052.db2.gz PEANQXFGAZKKNX-GOSISDBHSA-N -1 0 343.766 3.411 20 30 EGEDRM O=C([O-])Cc1ccc(NN=Cc2ccc3c(c2)OCCCCO3)cc1 ZINC000848414399 979467005 /nfs/dbraw/zinc/46/70/05/979467005.db2.gz OJKGQWLAJQEMGC-UHFFFAOYSA-N -1 0 340.379 3.311 20 30 EGEDRM C#CC[C@H]1CCCN(C(=O)c2ccccc2S[C@H](C)C(=O)[O-])C1 ZINC000851615902 979537903 /nfs/dbraw/zinc/53/79/03/979537903.db2.gz KRBYETLHHMPBOH-KGLIPLIRSA-N -1 0 331.437 3.127 20 30 EGEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCc2cccc(C(=O)[O-])c2C1 ZINC001592833078 979568205 /nfs/dbraw/zinc/56/82/05/979568205.db2.gz AFJXEBCNSNOVQX-CQSZACIVSA-N -1 0 348.402 3.020 20 30 EGEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)OCc1cc(C(=O)[O-])cs1 ZINC001592833152 979568541 /nfs/dbraw/zinc/56/85/41/979568541.db2.gz CCOQOIXXVHROQU-LLVKDONJSA-N -1 0 329.377 3.240 20 30 EGEDRM C[C@@](Cc1ccc(F)cc1)(NC(=O)CC1(C#N)CCCCC1)C(=O)[O-] ZINC001592845455 979614143 /nfs/dbraw/zinc/61/41/43/979614143.db2.gz BAQLTHBVEGXITQ-SFHVURJKSA-N -1 0 346.402 3.192 20 30 EGEDRM CC[C@@H](COC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)C(=O)[O-] ZINC001595184133 979827058 /nfs/dbraw/zinc/82/70/58/979827058.db2.gz WGHYNTLQVCIUIW-ZDUSSCGKSA-N -1 0 340.335 3.013 20 30 EGEDRM C=CCSc1ccccc1C(=O)N[C@@H](CC(F)(F)F)C(=O)[O-] ZINC000909665280 981561353 /nfs/dbraw/zinc/56/13/53/981561353.db2.gz DEHYHURLRYPDEP-JTQLQIEISA-N -1 0 333.331 3.100 20 30 EGEDRM CCC[C@@H](NC(=O)N1CCC(C#N)(C(=O)[O-])CC1)C1CCCCC1 ZINC001595598359 981568317 /nfs/dbraw/zinc/56/83/17/981568317.db2.gz KNIWZUYLNNVBIP-OAHLLOKOSA-N -1 0 335.448 3.135 20 30 EGEDRM CC[C@H](C(=O)OCc1cccc(C(=O)[O-])c1C#N)c1c(C)noc1C ZINC001594774804 981755055 /nfs/dbraw/zinc/75/50/55/981755055.db2.gz IBQVAZPKAHUISU-ZDUSSCGKSA-N -1 0 342.351 3.098 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)Cc1ccccc1OC1CCCC1)C(=O)[O-] ZINC000910291737 981846797 /nfs/dbraw/zinc/84/67/97/981846797.db2.gz AREYHQIYFNWSOR-MRXNPFEDSA-N -1 0 331.412 3.086 20 30 EGEDRM CCCC[C@H](ON=C(C)C)C(=O)N(Cc1ccccc1)[C@H](C)C(=O)[O-] ZINC001595650957 982015354 /nfs/dbraw/zinc/01/53/54/982015354.db2.gz AFTNKEYVPVURTH-WBVHZDCISA-N -1 0 348.443 3.460 20 30 EGEDRM CCCC[C@H](ON=C(C)C)C(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC001595651796 982027131 /nfs/dbraw/zinc/02/71/31/982027131.db2.gz KOZZFMDTOAQRJK-AWEZNQCLSA-N -1 0 346.387 3.171 20 30 EGEDRM CCCC[C@@H](ON=C(C)C)C(=O)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC001595652639 982035549 /nfs/dbraw/zinc/03/55/49/982035549.db2.gz VWKGMMIUKOHYNU-QGZVFWFLSA-N -1 0 346.427 3.241 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1cccc(C)c1Br)C(=O)[O-] ZINC000910910909 982160670 /nfs/dbraw/zinc/16/06/70/982160670.db2.gz BAOVUCMMIJVAEH-GFCCVEGCSA-N -1 0 340.217 3.297 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1ccc([C@@H]2CCCOC2)cc1)C(=O)[O-] ZINC000910923872 982166135 /nfs/dbraw/zinc/16/61/35/982166135.db2.gz WLXOAEFOHKUOMG-SJORKVTESA-N -1 0 331.412 3.120 20 30 EGEDRM CCCCCCCNS(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC001595704289 982273705 /nfs/dbraw/zinc/27/37/05/982273705.db2.gz CRPXRMVIXVJVRT-XFXZXTDPSA-N -1 0 325.430 3.033 20 30 EGEDRM CCCCCCCS(=O)(=O)N1CCc2cccc(C(=O)[O-])c2C1 ZINC001595709272 982292575 /nfs/dbraw/zinc/29/25/75/982292575.db2.gz YYYUIOFVARIHFO-UHFFFAOYSA-N -1 0 339.457 3.043 20 30 EGEDRM CCCN(C(=O)/C=C\c1cc(C(=O)[O-])co1)c1snc(C)c1C#N ZINC001595816077 982670041 /nfs/dbraw/zinc/67/00/41/982670041.db2.gz GHIDSZPFAOZJQQ-PLNGDYQASA-N -1 0 345.380 3.071 20 30 EGEDRM COCCOc1ccc(C(C)N=Nc2ccccc2C(=O)[O-])cc1 ZINC000915956643 982670471 /nfs/dbraw/zinc/67/04/71/982670471.db2.gz XOXFUQTXRREOGP-UHFFFAOYSA-N -1 0 328.368 3.246 20 30 EGEDRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)[C@]2(C#N)CC3CCC2CC3)C1 ZINC000923068215 982705292 /nfs/dbraw/zinc/70/52/92/982705292.db2.gz CYULGMNOYUHHTA-XRZUKUFWSA-N -1 0 332.444 3.056 20 30 EGEDRM CCC(C#N)(CC)C(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC000923094088 982719066 /nfs/dbraw/zinc/71/90/66/982719066.db2.gz RGJJVSXGPQRDID-OAHLLOKOSA-N -1 0 328.412 3.251 20 30 EGEDRM C=CCO[C@H]1CCN([C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)C1 ZINC001118320182 982952884 /nfs/dbraw/zinc/95/28/84/982952884.db2.gz UFKKWSOWLRVNIW-SMDDNHRTSA-N -1 0 330.211 3.396 20 30 EGEDRM Cc1c2cc(C#N)ccc2sc1C(=O)N[C@H](C(=O)[O-])C(C)(C)C ZINC001574665073 983267800 /nfs/dbraw/zinc/26/78/00/983267800.db2.gz ZMQZLXOWZXKFLW-CQSZACIVSA-N -1 0 330.409 3.311 20 30 EGEDRM O=C([O-])c1cccc(CNC(=O)C#Cc2ccc(C(F)(F)F)cc2)c1 ZINC001574805979 983277572 /nfs/dbraw/zinc/27/75/72/983277572.db2.gz HRFXGJWUIOERKU-UHFFFAOYSA-N -1 0 347.292 3.072 20 30 EGEDRM C#C[C@H](C)N(C)c1cc(C(=O)[O-])nc2ccc(Br)cc21 ZINC001588368874 983308845 /nfs/dbraw/zinc/30/88/45/983308845.db2.gz VAVVADOGEKDZAQ-VIFPVBQESA-N -1 0 333.185 3.153 20 30 EGEDRM C#CC[C@H](Cc1ccccc1)OC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001588393975 983400744 /nfs/dbraw/zinc/40/07/44/983400744.db2.gz IAGVIOLPEKCVJB-OAHLLOKOSA-N -1 0 326.323 3.315 20 30 EGEDRM C#Cc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)cc1 ZINC001588511536 983559940 /nfs/dbraw/zinc/55/99/40/983559940.db2.gz YABHUBRGLXISOC-HNNXBMFYSA-N -1 0 347.292 3.242 20 30 EGEDRM C#Cc1ccc(CNC(=O)Nc2cc(C(=O)[O-])cc3cccnc32)cc1 ZINC001588517075 983563681 /nfs/dbraw/zinc/56/36/81/983563681.db2.gz KBAUTOQJEZHTCY-UHFFFAOYSA-N -1 0 345.358 3.236 20 30 EGEDRM C#Cc1cccc(NC(=O)NC[C@@](CC)(C(=O)[O-])c2ccccc2)c1 ZINC001588524208 983574150 /nfs/dbraw/zinc/57/41/50/983574150.db2.gz BZBZUXMRNWQVQN-HXUWFJFHSA-N -1 0 336.391 3.222 20 30 EGEDRM C=C(C)[C@H](CC(=O)N(CC(=O)[O-])[C@H](CC)c1ccccc1)OCC ZINC001588530321 983584299 /nfs/dbraw/zinc/58/42/99/983584299.db2.gz ZEQLIQPAGIVJOL-SJORKVTESA-N -1 0 333.428 3.422 20 30 EGEDRM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC001588534982 983587416 /nfs/dbraw/zinc/58/74/16/983587416.db2.gz DQSSWGACXASIFI-CJNGLKHVSA-N -1 0 346.427 3.152 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)[C@@H](C)Oc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC001588537490 983600257 /nfs/dbraw/zinc/60/02/57/983600257.db2.gz QLNYZFVXZNMUJC-NOZJJQNGSA-N -1 0 346.210 3.296 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)Cc1csc(-c2cccc(C)c2)n1)C(=O)[O-] ZINC001588543596 983611998 /nfs/dbraw/zinc/61/19/98/983611998.db2.gz KTIYMKBUNDAQSM-OAHLLOKOSA-N -1 0 344.436 3.197 20 30 EGEDRM C=C(C)C[C@H](NC(=O)c1csc(Cc2cccc(F)c2)n1)C(=O)[O-] ZINC001588548964 983626036 /nfs/dbraw/zinc/62/60/36/983626036.db2.gz VAOGNOWUSZBGOO-ZDUSSCGKSA-N -1 0 348.399 3.022 20 30 EGEDRM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccsc1C(=O)[O-] ZINC001588567728 983647871 /nfs/dbraw/zinc/64/78/71/983647871.db2.gz RGYQVBNKUYMFAO-UHFFFAOYSA-N -1 0 347.440 3.442 20 30 EGEDRM C=C(C)Cc1cccc(C(=O)[O-])c1OCc1ncnn1CC(C)C ZINC001588577402 983656748 /nfs/dbraw/zinc/65/67/48/983656748.db2.gz VESZHBZJMSWWEM-UHFFFAOYSA-N -1 0 329.400 3.330 20 30 EGEDRM C=C(C)Cn1c(C(F)F)nnc1N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001588589451 983667350 /nfs/dbraw/zinc/66/73/50/983667350.db2.gz NRUVWRPHKKAHLD-NSHDSACASA-N -1 0 342.390 3.119 20 30 EGEDRM C=C(CC(C)C)C(=O)N(CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC001588606323 983697198 /nfs/dbraw/zinc/69/71/98/983697198.db2.gz WSQHXQNSUJTCTQ-UHFFFAOYSA-N -1 0 325.355 3.370 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N[C@H](C)c1ccc(-n2nc(C)cc2C)cc1 ZINC001588619500 983717086 /nfs/dbraw/zinc/71/70/86/983717086.db2.gz VSYNVYDLTARHRI-OAHLLOKOSA-N -1 0 341.411 3.087 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)NC(C)(C)c1ccc(Br)cc1 ZINC001588619516 983717098 /nfs/dbraw/zinc/71/70/98/983717098.db2.gz WLOFQYSCWOVKBW-UHFFFAOYSA-N -1 0 340.217 3.221 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)NC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC001588622435 983723801 /nfs/dbraw/zinc/72/38/01/983723801.db2.gz YEBSZVQNLIXMIV-UHFFFAOYSA-N -1 0 327.302 3.232 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)NCCSc1c(C)[nH]c2ccccc21 ZINC001588624358 983731503 /nfs/dbraw/zinc/73/15/03/983731503.db2.gz GJDQMKQLWBFHMJ-UHFFFAOYSA-N -1 0 332.425 3.106 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1ncc(Cc2cccc(F)c2)s1 ZINC001588633603 983750561 /nfs/dbraw/zinc/75/05/61/983750561.db2.gz PXUWCOFZZQYDEC-UHFFFAOYSA-N -1 0 334.372 3.233 20 30 EGEDRM C=C[C@@H](C(=O)Nc1cc(OC)c(OC)cc1C(=O)[O-])c1ccccc1 ZINC001588663971 983797852 /nfs/dbraw/zinc/79/78/52/983797852.db2.gz MJFVWUSAYSVMRA-CYBMUJFWSA-N -1 0 341.363 3.310 20 30 EGEDRM C=C[C@H](C(=O)[O-])N(CCC)CC(=O)Nc1cc(Cl)ccc1Cl ZINC001588664936 983806614 /nfs/dbraw/zinc/80/66/14/983806614.db2.gz ZYVGQEBXTRDPSV-CYBMUJFWSA-N -1 0 345.226 3.283 20 30 EGEDRM C=CC(C)(C)CCCNC(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC001588673091 983828382 /nfs/dbraw/zinc/82/83/82/983828382.db2.gz IKEZNEJEFHNKBB-UHFFFAOYSA-N -1 0 333.428 3.489 20 30 EGEDRM C=C[C@H](OC(=O)Cc1[nH]c(C(C)=O)c(C)c1C(=O)[O-])c1ccccc1 ZINC001588712674 983945852 /nfs/dbraw/zinc/94/58/52/983945852.db2.gz YJXFIVNGKZWSCL-HNNXBMFYSA-N -1 0 341.363 3.237 20 30 EGEDRM C=CCC(C)(C)CNS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001588736245 984024210 /nfs/dbraw/zinc/02/42/10/984024210.db2.gz FTUJSNMFRBJTQS-UHFFFAOYSA-N -1 0 349.811 3.058 20 30 EGEDRM C=CCC1(NS(=O)(=O)c2cc(C(=O)[O-])cs2)CCCCC1 ZINC001588768751 984131158 /nfs/dbraw/zinc/13/11/58/984131158.db2.gz DPPYSVYFOUVAEV-UHFFFAOYSA-N -1 0 329.443 3.004 20 30 EGEDRM C=CC[C@@H]1CCCC[C@H]1NC(=O)NC(C)(C)c1cc(C(=O)[O-])on1 ZINC001588770894 984136851 /nfs/dbraw/zinc/13/68/51/984136851.db2.gz KJIFHNJXAOZBQO-VXGBXAGGSA-N -1 0 335.404 3.042 20 30 EGEDRM C=CC[C@H]1CCN(C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)C1 ZINC001588772428 984142882 /nfs/dbraw/zinc/14/28/82/984142882.db2.gz FRXWDQZALMJADW-JTQLQIEISA-N -1 0 340.326 3.416 20 30 EGEDRM C=CCCC[C@@H](NC(=O)COc1cc(C)c(Cl)c(C)c1)C(=O)[O-] ZINC001588788734 984192536 /nfs/dbraw/zinc/19/25/36/984192536.db2.gz LMGCRRKDJRKVEJ-CQSZACIVSA-N -1 0 339.819 3.261 20 30 EGEDRM C=CCCC[C@@H](NC(=O)Cc1cc(Cl)ccc1Cl)C(=O)[O-] ZINC001588788863 984193889 /nfs/dbraw/zinc/19/38/89/984193889.db2.gz QCLWBJSNROAIKC-CYBMUJFWSA-N -1 0 330.211 3.462 20 30 EGEDRM C=CCCC[C@@H](NC(=O)Cc1c[nH]c2cc(Cl)ccc12)C(=O)[O-] ZINC001588789080 984196048 /nfs/dbraw/zinc/19/60/48/984196048.db2.gz XLUNHEMFUDPZQC-CQSZACIVSA-N -1 0 334.803 3.290 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1cc(Cl)ccc1OC(F)F)C(=O)[O-] ZINC001588793232 984216913 /nfs/dbraw/zinc/21/69/13/984216913.db2.gz USQXHQKSZICFRS-LLVKDONJSA-N -1 0 347.745 3.481 20 30 EGEDRM C=CCCC[C@H](NC(=O)Cc1coc2cc3c(cc12)CCC3)C(=O)[O-] ZINC001588794254 984225889 /nfs/dbraw/zinc/22/58/89/984225889.db2.gz PJWQSYXHFKVXNP-KRWDZBQOSA-N -1 0 341.407 3.390 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1c(C)[nH]c2ccc(OC)cc21)C(=O)[O-] ZINC001588794342 984226285 /nfs/dbraw/zinc/22/62/85/984226285.db2.gz RLPOQPKBADFOEI-HNNXBMFYSA-N -1 0 330.384 3.024 20 30 EGEDRM C=CCCN(OCc1ccccc1)C(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC001588807168 984258264 /nfs/dbraw/zinc/25/82/64/984258264.db2.gz ASJPIGSERAGZOX-DLBZAZTESA-N -1 0 346.427 3.349 20 30 EGEDRM C=CCN(Cc1ccccc1F)C(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC001588831554 984314953 /nfs/dbraw/zinc/31/49/53/984314953.db2.gz AAEXCIGMMHRVSY-UHFFFAOYSA-N -1 0 331.387 3.375 20 30 EGEDRM C=CCNC(=O)c1cccc(-c2noc(-c3ccc(C(=O)[O-])cc3)n2)c1 ZINC001588845279 984361535 /nfs/dbraw/zinc/36/15/35/984361535.db2.gz BNPANZPUWRINPM-UHFFFAOYSA-N -1 0 349.346 3.018 20 30 EGEDRM C=CCOc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(C)c(C)c2)cc1 ZINC001588869611 984439759 /nfs/dbraw/zinc/43/97/59/984439759.db2.gz PNWOGWGRDMCDCM-GOSISDBHSA-N -1 0 339.391 3.424 20 30 EGEDRM C=CCOc1ccc(CC(=O)Nc2ccc(CC(=O)[O-])c(F)c2)cc1 ZINC001588873669 984445339 /nfs/dbraw/zinc/44/53/39/984445339.db2.gz GDXVSPHZWYSPOO-UHFFFAOYSA-N -1 0 343.354 3.199 20 30 EGEDRM C=CC[S@](=O)(=NC(=O)c1ccccc1C(=O)[O-])c1ccccc1 ZINC001588879208 984457246 /nfs/dbraw/zinc/45/72/46/984457246.db2.gz VWHXCKQVKZLHLM-HSZRJFAPSA-N -1 0 329.377 3.238 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)CCc1nccs1 ZINC001588881958 984461627 /nfs/dbraw/zinc/46/16/27/984461627.db2.gz JOUQYWDXNHFPBZ-UHFFFAOYSA-N -1 0 347.392 3.117 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1cncc(CC)c1 ZINC001588885382 984466948 /nfs/dbraw/zinc/46/69/48/984466948.db2.gz PYEUCWVJPOPPMO-UHFFFAOYSA-N -1 0 341.363 3.299 20 30 EGEDRM C=CCc1ccccc1OC(=O)Cc1[nH]c(C(C)=O)c(C)c1C(=O)[O-] ZINC001588886497 984472539 /nfs/dbraw/zinc/47/25/39/984472539.db2.gz JDXMZKHSHAJEPT-UHFFFAOYSA-N -1 0 341.363 3.101 20 30 EGEDRM C=CCn1c([C@H](C)CC)nnc1N1CCc2cccc(C(=O)[O-])c2C1 ZINC001588896861 984505713 /nfs/dbraw/zinc/50/57/13/984505713.db2.gz VCGAGOVKYMTTJL-CYBMUJFWSA-N -1 0 340.427 3.239 20 30 EGEDRM C=CCn1cc2ccc(NC(=O)c3cc(C)cc(C(=O)[O-])c3)cc2n1 ZINC001588909564 984545238 /nfs/dbraw/zinc/54/52/38/984545238.db2.gz YNKBRFOIWXEIEW-UHFFFAOYSA-N -1 0 335.363 3.481 20 30 EGEDRM C=C[C@@H]1OCC[C@H]1C(=O)Nc1sc2c(c1C(=O)[O-])CCCCC2 ZINC001588916217 984558934 /nfs/dbraw/zinc/55/89/34/984558934.db2.gz AMNORGVLWQKMJH-PWSUYJOCSA-N -1 0 335.425 3.245 20 30 EGEDRM CCOC(=O)c1ccc(C=NNc2ccc(C(=O)[O-])c(Cl)c2)o1 ZINC001596720730 984965305 /nfs/dbraw/zinc/96/53/05/984965305.db2.gz NWENDCVRNFCCFJ-UHFFFAOYSA-N -1 0 336.731 3.254 20 30 EGEDRM CC(=NN[C@@H](C)CCc1ccc2c(c1)OCO2)c1cc(C(=O)[O-])co1 ZINC001589017032 984999654 /nfs/dbraw/zinc/99/96/54/984999654.db2.gz SMZFRHKVHBGZLR-NSHDSACASA-N -1 0 344.367 3.041 20 30 EGEDRM Cc1[nH]c(C(=O)COc2ccc(C#N)cc2Cl)c(C)c1C(=O)[O-] ZINC001599947159 985547868 /nfs/dbraw/zinc/54/78/68/985547868.db2.gz CNDVJQDPRONCFI-UHFFFAOYSA-N -1 0 332.743 3.117 20 30 EGEDRM Cc1c2cc(C#N)ccc2sc1C(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001599976878 986105091 /nfs/dbraw/zinc/10/50/91/986105091.db2.gz JTPQVNKNAOMJAX-ZWNOBZJWSA-N -1 0 342.420 3.264 20 30 EGEDRM CC(=O)c1ccccc1OCCON=Cc1ccc(C(=O)[O-])cc1 ZINC001589316583 986112013 /nfs/dbraw/zinc/11/20/13/986112013.db2.gz UAUYEIOIQWTDNF-UHFFFAOYSA-N -1 0 327.336 3.017 20 30 EGEDRM C[C@@H](C#N)OCCSCc1ccc(C(=O)[O-])cc1Br ZINC001589331959 986194563 /nfs/dbraw/zinc/19/45/63/986194563.db2.gz USFPEXMJTIBKBC-VIFPVBQESA-N -1 0 344.230 3.309 20 30 EGEDRM CCOc1ccc(NC(=O)c2cccc(C#N)c2)c(C(=O)[O-])c1F ZINC001597123053 986822371 /nfs/dbraw/zinc/82/23/71/986822371.db2.gz PPHFAUAOYZJPLY-UHFFFAOYSA-N -1 0 328.299 3.047 20 30 EGEDRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)c1ccccc1 ZINC001589462406 986917708 /nfs/dbraw/zinc/91/77/08/986917708.db2.gz PDBFPIZAZXQHNC-VUKOWNLVSA-N -1 0 348.402 3.240 20 30 EGEDRM CCC(=O)N1CCc2ccc(N[C@H](C(=O)[O-])c3cccc(C#N)c3)cc21 ZINC001594705828 987149702 /nfs/dbraw/zinc/14/97/02/987149702.db2.gz NDLHESYKOWMHRO-IBGZPJMESA-N -1 0 349.390 3.095 20 30 EGEDRM C[C@H](C(=O)[O-])c1ccc(NC(=O)NCc2ccc(CC#N)cc2)cc1 ZINC001589512759 987151685 /nfs/dbraw/zinc/15/16/85/987151685.db2.gz WJCNOZNSTADZIR-ZDUSSCGKSA-N -1 0 337.379 3.262 20 30 EGEDRM CC(C)(C(=O)[O-])[C@H](NC(=O)N1CCC[C@H](CC#N)C1)c1ccccc1 ZINC001589593938 987409126 /nfs/dbraw/zinc/40/91/26/987409126.db2.gz JOUJFMPKHHQVIG-GDBMZVCRSA-N -1 0 343.427 3.174 20 30 EGEDRM CCc1c(C)sc(NC(=O)c2ccc(/C=C/C(=O)[O-])o2)c1C#N ZINC001597416566 987721601 /nfs/dbraw/zinc/72/16/01/987721601.db2.gz RCXIUOKHKKLJER-FNORWQNLSA-N -1 0 330.365 3.434 20 30 EGEDRM CCc1ccc([C@H](C#N)N(C)C(=O)c2oc(C(=O)[O-])cc2C)cc1 ZINC001597508148 988084155 /nfs/dbraw/zinc/08/41/55/988084155.db2.gz DFPVUIDJAXMEGA-AWEZNQCLSA-N -1 0 326.352 3.186 20 30 EGEDRM CCc1ccc([C@@H](C#N)N(C)C(=O)/C=C/c2cc(C(=O)[O-])co2)cc1 ZINC001597508299 988085800 /nfs/dbraw/zinc/08/58/00/988085800.db2.gz LYXUOYGFMMKTNA-KBOKABMXSA-N -1 0 338.363 3.277 20 30 EGEDRM CSc1ccc(CNC(=O)c2ccc(C(=O)[O-])cc2F)cc1C#N ZINC001599813497 988379463 /nfs/dbraw/zinc/37/94/63/988379463.db2.gz VVIDUHILGPPDJQ-UHFFFAOYSA-N -1 0 344.367 3.047 20 30 EGEDRM C[C@@H](CC(=O)[O-])NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC001599832705 988697726 /nfs/dbraw/zinc/69/77/26/988697726.db2.gz NLJXCZOFADGDCQ-LBPRGKRZSA-N -1 0 339.351 3.335 20 30 EGEDRM CN(C(=O)CCCCCC#N)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001598013328 990192742 /nfs/dbraw/zinc/19/27/42/990192742.db2.gz UVUDSMLDZSRJKV-OAHLLOKOSA-N -1 0 342.317 3.162 20 30 EGEDRM CC(C)(CCC#N)CNC(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC001590656638 990355713 /nfs/dbraw/zinc/35/57/13/990355713.db2.gz YUHRLNIJSGDFFE-UHFFFAOYSA-N -1 0 349.456 3.456 20 30 EGEDRM CC(C)(Cc1ccc(C#N)cc1)NC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001590822185 990664273 /nfs/dbraw/zinc/66/42/73/990664273.db2.gz YYSMAKYMKZMXPD-UHFFFAOYSA-N -1 0 337.379 3.399 20 30 EGEDRM CC(C)C[C@H](CNc1ccc(C(=O)[O-])nc1C#N)C(=O)OC(C)(C)C ZINC001591162013 991918668 /nfs/dbraw/zinc/91/86/68/991918668.db2.gz AVLJBUPVFPENFE-GFCCVEGCSA-N -1 0 347.415 3.067 20 30 EGEDRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1cc(C#N)ccc1Cl ZINC001598512099 992575190 /nfs/dbraw/zinc/57/51/90/992575190.db2.gz KRCUZZXHKFNNBC-UHFFFAOYSA-N -1 0 328.755 3.182 20 30 EGEDRM CN(Cc1ccc(OC(F)F)cc1)Cc1cccc(C(=O)[O-])c1C#N ZINC001598519693 992664734 /nfs/dbraw/zinc/66/47/34/992664734.db2.gz AGYQLAINAXVPPR-UHFFFAOYSA-N -1 0 346.333 3.490 20 30 EGEDRM C[C@@H](NCc1cc(C#N)ccc1F)c1ccccc1OCC(=O)[O-] ZINC001593289800 994667768 /nfs/dbraw/zinc/66/77/68/994667768.db2.gz XSUNDCAJCJQGRI-GFCCVEGCSA-N -1 0 328.343 3.012 20 30 EGEDRM COc1cccc(C=Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)c1O ZINC001599663670 994694434 /nfs/dbraw/zinc/69/44/34/994694434.db2.gz BYLSQJSBCGABSA-UHFFFAOYSA-N -1 0 330.296 3.066 20 30 EGEDRM C[C@@H](Sc1ccccc1C(=O)Nc1cccc(C#N)c1)C(=O)[O-] ZINC001593672757 996078741 /nfs/dbraw/zinc/07/87/41/996078741.db2.gz XPFJBFXJNQPNID-LLVKDONJSA-N -1 0 326.377 3.376 20 30 EGEDRM COCc1cc(NC(=O)[C@@H](CC#N)c2ccccc2)cc(C(=O)[O-])c1 ZINC001599283657 996936290 /nfs/dbraw/zinc/93/62/90/996936290.db2.gz DROWYLPCABUMPU-KRWDZBQOSA-N -1 0 338.363 3.167 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC001599386240 996950715 /nfs/dbraw/zinc/95/07/15/996950715.db2.gz IRBGWVDNHVIJKN-UHFFFAOYSA-N -1 0 336.347 3.201 20 30 EGEDRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)c1ccc(C)c(C#N)c1 ZINC001599396841 997141481 /nfs/dbraw/zinc/14/14/81/997141481.db2.gz ASKFBWGSPYCUCZ-YVMONPNESA-N -1 0 337.331 3.192 20 30 EGEDRM COc1cc(C=NO[C@@H](C)c2nc(C(=O)[O-])co2)ccc1OC(C)C ZINC001599400519 997206554 /nfs/dbraw/zinc/20/65/54/997206554.db2.gz NSKQPNMOLPWEGQ-NSHDSACASA-N -1 0 348.355 3.280 20 30 EGEDRM COc1cc(C(=O)/C=C\c2cc(C(=O)[O-])n(C)c2)ccc1SC ZINC001599349834 998074378 /nfs/dbraw/zinc/07/43/78/998074378.db2.gz FLNYBVNDNDXQCD-XQRVVYSFSA-N -1 0 331.393 3.350 20 30 EGEDRM COc1cc(Oc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])ccc1C#N ZINC001599456000 998189434 /nfs/dbraw/zinc/18/94/34/998189434.db2.gz HTZAUKISNOEWHX-CLTKARDFSA-N -1 0 340.291 3.365 20 30 EGEDRM COc1ccc(C#N)cc1NC(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC001599476647 998543697 /nfs/dbraw/zinc/54/36/97/998543697.db2.gz IBXLUWUVIKRWHL-LLVKDONJSA-N -1 0 339.351 3.399 20 30 EGEDRM C[C@@H]1[C@H](C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC001594172849 998663769 /nfs/dbraw/zinc/66/37/69/998663769.db2.gz HZJCEGPYHZOUIX-PSMGESJCSA-N -1 0 335.359 3.277 20 30 EGEDRM CC1CC(C#N)(C(=O)N2CCC(Cc3ccccc3C(=O)[O-])CC2)C1 ZINC001594200534 998774963 /nfs/dbraw/zinc/77/49/63/998774963.db2.gz LYPXNKBHLLEXBC-UHFFFAOYSA-N -1 0 340.423 3.106 20 30 EGEDRM C[C@@H]1C[C@@H](CCNC(=O)N2CCC(C#N)(C(=O)[O-])CC2)CC(C)(C)C1 ZINC001594231199 998878477 /nfs/dbraw/zinc/87/84/77/998878477.db2.gz BHNWEWOSISPBPU-HUUCEWRRSA-N -1 0 349.475 3.239 20 30 EGEDRM CO[C@@H](CNc1ccc(C(=O)[O-])nc1C#N)c1cccc(Cl)c1 ZINC001599056367 999233066 /nfs/dbraw/zinc/23/30/66/999233066.db2.gz VFUMHUUYWCZIPY-HNNXBMFYSA-N -1 0 331.759 3.104 20 30 EGEDRM CO[C@@H](CNc1ccc(C(=O)[O-])nc1C#N)c1ccc(Cl)cc1 ZINC001599056741 999235287 /nfs/dbraw/zinc/23/52/87/999235287.db2.gz YTBXURRKCVQUTK-HNNXBMFYSA-N -1 0 331.759 3.104 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2ccc(OCCC(C)C)cc2)C(=O)O1 ZINC000003543697 210050503 /nfs/dbraw/zinc/05/05/03/210050503.db2.gz LFRBXEMUIZPQHJ-MBNRZODZSA-N -1 0 342.391 3.340 20 30 EGEDRM C=CCCO[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])c1ccc2ccccc2c1 ZINC000263148917 245343379 /nfs/dbraw/zinc/34/33/79/245343379.db2.gz USIGVQBGAODVCF-KSSFIOAISA-N -1 0 341.407 3.453 20 30 EGEDRM CCN(C)[C@@H](C(=O)[N-]S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000097033626 284365363 /nfs/dbraw/zinc/36/53/63/284365363.db2.gz LDSISWSLXARUDM-MRXNPFEDSA-N -1 0 332.425 3.025 20 30 EGEDRM Cc1ncc(-c2ccccc2)cc1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000377582305 169044842 /nfs/dbraw/zinc/04/48/42/169044842.db2.gz DFKIUUSWEDHCOX-UHFFFAOYSA-N -1 0 339.376 3.323 20 30 EGEDRM COc1cc(C#N)ccc1Cn1[n-]c(C(C)(C)C)c(CCC#N)c1=O ZINC000159854163 533498522 /nfs/dbraw/zinc/49/85/22/533498522.db2.gz SRUPMZNFXYLFAZ-UHFFFAOYSA-N -1 0 338.411 3.271 20 30 EGEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(SC)cc1 ZINC000184784848 144099749 /nfs/dbraw/zinc/09/97/49/144099749.db2.gz OETCTOKDOMIKGE-UHFFFAOYSA-N -1 0 334.422 3.090 20 30 EGEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(C)c1F ZINC000180491455 162747000 /nfs/dbraw/zinc/74/70/00/162747000.db2.gz RCTSHVLPUVPMSX-UHFFFAOYSA-N -1 0 334.372 3.205 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2noc3cc(Cl)ccc32)cc1 ZINC000342667186 163937696 /nfs/dbraw/zinc/93/76/96/163937696.db2.gz RHZKZSUXOGEPPW-UHFFFAOYSA-N -1 0 333.756 3.154 20 30 EGEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccnc1C(F)(F)F ZINC000342750472 163956490 /nfs/dbraw/zinc/95/64/90/163956490.db2.gz LTIKZBBLJPZYKK-UHFFFAOYSA-N -1 0 341.314 3.081 20 30 EGEDRM N#Cc1cc([N-]S(=O)(=O)c2ccsc2)ccc1OC(F)(F)F ZINC000350896600 165078221 /nfs/dbraw/zinc/07/82/21/165078221.db2.gz NLMNAZGNEVIZPA-UHFFFAOYSA-N -1 0 348.327 3.319 20 30 EGEDRM C[C@H](Cc1ccccc1)n1cccc1C(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC000359186729 167090176 /nfs/dbraw/zinc/09/01/76/167090176.db2.gz QRYWUNQAJNGPRI-CYBMUJFWSA-N -1 0 344.378 3.011 20 30 EGEDRM C=CCOc1cccc(NC(=O)c2cc(C#N)c(SC)[n-]c2=O)c1 ZINC000065749606 264932274 /nfs/dbraw/zinc/93/22/74/264932274.db2.gz HUQOGSZPTABNFY-UHFFFAOYSA-N -1 0 341.392 3.198 20 30 EGEDRM N#Cc1cccc(S(=O)(=O)[N-]C(=O)C=Cc2ccc(F)cc2)c1 ZINC000048597822 270037799 /nfs/dbraw/zinc/03/77/99/270037799.db2.gz MAPYYKYRNQLTTC-RMKNXTFCSA-N -1 0 330.340 3.056 20 30 EGEDRM CCc1ccc(O)c([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000176505691 265182957 /nfs/dbraw/zinc/18/29/57/265182957.db2.gz DIIUVUYNXAZGTF-UHFFFAOYSA-N -1 0 336.800 3.280 20 30 EGEDRM C[C@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000340967184 267146502 /nfs/dbraw/zinc/14/65/02/267146502.db2.gz UJAMWXMMGIPKMK-LLVKDONJSA-N -1 0 347.421 3.346 20 30 EGEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ncc(C(C)(C)C)s1 ZINC000437339932 267974615 /nfs/dbraw/zinc/97/46/15/267974615.db2.gz VSLLEBSGUPSXIW-UHFFFAOYSA-N -1 0 335.454 3.422 20 30 EGEDRM N#Cc1cc(NC(=O)c2cc(Br)ccc2[O-])ccc1F ZINC000220701939 268011748 /nfs/dbraw/zinc/01/17/48/268011748.db2.gz DWFVWHURSILYJD-UHFFFAOYSA-N -1 0 335.132 3.418 20 30 EGEDRM N#Cc1ccc(CN(C(=O)c2cc(F)c(F)c([O-])c2F)C2CC2)cc1 ZINC000184970894 268063232 /nfs/dbraw/zinc/06/32/32/268063232.db2.gz UWJDGELETUOEPA-UHFFFAOYSA-N -1 0 346.308 3.486 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2ccc(Br)c(F)c2)cc1[O-] ZINC000443297585 268205270 /nfs/dbraw/zinc/20/52/70/268205270.db2.gz GBXYIVIBZIPDJR-UHFFFAOYSA-N -1 0 335.132 3.418 20 30 EGEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1ccc2nc(C3CC3)oc2c1 ZINC000175971322 268286577 /nfs/dbraw/zinc/28/65/77/268286577.db2.gz QZYYZWKZQXFSQZ-UHFFFAOYSA-N -1 0 339.376 3.378 20 30 EGEDRM Cc1cc(-c2cccc(C#N)c2)ccc1C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000581895750 325397256 /nfs/dbraw/zinc/39/72/56/325397256.db2.gz OJUNKUDJOPXJLF-SFHVURJKSA-N -1 0 348.402 3.471 20 30 EGEDRM Cc1cc(/N=C/c2cc([N+](=O)[O-])ccc2[O-])ccc1N1CCOCC1 ZINC000180918942 455263817 /nfs/dbraw/zinc/26/38/17/455263817.db2.gz OEMPNMZAMSHXIM-XDHOZWIPSA-N -1 0 341.367 3.196 20 30 EGEDRM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2cccc(C#N)c2)c1 ZINC000007055851 453026792 /nfs/dbraw/zinc/02/67/92/453026792.db2.gz LFZGLTHTOOCQEG-UHFFFAOYSA-N -1 0 346.408 3.156 20 30 EGEDRM O=C([O-])c1ccc(/C=C/C(=O)c2ccc(N3CCOCC3)cc2)cc1 ZINC000007587009 453090266 /nfs/dbraw/zinc/09/02/66/453090266.db2.gz KTSYZPOIHJEWBV-XCVCLJGOSA-N -1 0 337.375 3.118 20 30 EGEDRM CSCc1c2ccccc2oc1C(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC000026275821 453796095 /nfs/dbraw/zinc/79/60/95/453796095.db2.gz AZNLBIJOBFASTM-UHFFFAOYSA-N -1 0 337.364 3.015 20 30 EGEDRM C=C(C)COc1cccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000066587689 453853637 /nfs/dbraw/zinc/85/36/37/453853637.db2.gz RFABRSVXTBIBOT-UHFFFAOYSA-N -1 0 348.380 3.351 20 30 EGEDRM N#CC(=C([O-])c1ccc2c(c1)CCC(=O)N2)c1nc2ccccc2o1 ZINC000041543009 453971386 /nfs/dbraw/zinc/97/13/86/453971386.db2.gz GXCIHAACCVGQDB-CYBMUJFWSA-N -1 0 331.331 3.203 20 30 EGEDRM N#CC(=C([O-])c1cncc(Br)c1)c1nc2ccccc2o1 ZINC000041545850 453971645 /nfs/dbraw/zinc/97/16/45/453971645.db2.gz WUBOVYQJRZFKAS-LLVKDONJSA-N -1 0 342.152 3.475 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)c(F)cc1F ZINC000084650127 454003646 /nfs/dbraw/zinc/00/36/46/454003646.db2.gz YQLJQTSKOYOQPB-UHFFFAOYSA-N -1 0 326.299 3.085 20 30 EGEDRM C=CCN(Cc1cccc(C#N)c1)Cc1nc(=O)c2sccc2[n-]1 ZINC000068827216 454057491 /nfs/dbraw/zinc/05/74/91/454057491.db2.gz MCIKCKHBUJLWAE-UHFFFAOYSA-N -1 0 336.420 3.457 20 30 EGEDRM CC(C)Oc1cncc(C([O-])=C(C#N)c2cnc3ccccc3n2)c1 ZINC000190931870 455408767 /nfs/dbraw/zinc/40/87/67/455408767.db2.gz JAHBOFZZLZBJHA-HNNXBMFYSA-N -1 0 332.363 3.302 20 30 EGEDRM N#CC(=C([O-])c1cc2c(s1)CCOC2)c1cnc2ccccc2n1 ZINC000190903041 455401454 /nfs/dbraw/zinc/40/14/54/455401454.db2.gz CDTFMTXKUVCLTB-LBPRGKRZSA-N -1 0 335.388 3.254 20 30 EGEDRM CC(C)n1cc(C#N)c([N-]S(=O)(=O)c2cccc3ccccc32)n1 ZINC000089894022 454227518 /nfs/dbraw/zinc/22/75/18/454227518.db2.gz QXFXUASQMJUAPW-UHFFFAOYSA-N -1 0 340.408 3.290 20 30 EGEDRM N#CC(=C([O-])c1ccc(Br)o1)c1nc2ccccc2[nH]1 ZINC000060477041 454293816 /nfs/dbraw/zinc/29/38/16/454293816.db2.gz XVUIKDYGXXNEAS-QMMMGPOBSA-N -1 0 330.141 3.408 20 30 EGEDRM CCc1cccc(C)c1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000120512162 454313034 /nfs/dbraw/zinc/31/30/34/454313034.db2.gz SUGZTRNOXZQGML-UHFFFAOYSA-N -1 0 345.380 3.138 20 30 EGEDRM C=CCN(Cc1c([O-])nnn1-c1ccccc1)Cc1cccc(C#N)c1 ZINC000063280844 454401390 /nfs/dbraw/zinc/40/13/90/454401390.db2.gz ILCQLERQCSXGGA-UHFFFAOYSA-N -1 0 345.406 3.033 20 30 EGEDRM O=C(C=Cc1ccc(Cl)nc1)[N-]S(=O)(=O)C1CCCCC1 ZINC000091442259 454436851 /nfs/dbraw/zinc/43/68/51/454436851.db2.gz IOVWXPOXTJLAIR-VQHVLOKHSA-N -1 0 328.821 3.367 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nc3c(s2)CCCCCC3)cc1 ZINC000098037504 454450422 /nfs/dbraw/zinc/45/04/22/454450422.db2.gz SVSJSZUHZPZBAR-UHFFFAOYSA-N -1 0 347.465 3.475 20 30 EGEDRM CN(C)c1ccc(C#N)c([N-]S(=O)(=O)c2cc3ccccc3o2)c1 ZINC000121733996 454470613 /nfs/dbraw/zinc/47/06/13/454470613.db2.gz CENNNWVQHBVVAF-UHFFFAOYSA-N -1 0 341.392 3.171 20 30 EGEDRM COc1ccc(C#N)cc1NC(=O)CC1(C(=O)[O-])CCCCCC1 ZINC000064611674 454493850 /nfs/dbraw/zinc/49/38/50/454493850.db2.gz QNYXPCKUMZHYHO-UHFFFAOYSA-N -1 0 330.384 3.321 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)N(C)[C@H](C)c2ccccc2F)cc1C#N ZINC000074379261 454572150 /nfs/dbraw/zinc/57/21/50/454572150.db2.gz QTKZDLBQLMACMH-SNVBAGLBSA-N -1 0 345.399 3.353 20 30 EGEDRM CCC(=O)Nc1cccc(C(=O)[C@H](C#N)c2nc3ccccc3n2C)c1 ZINC000123001199 454590860 /nfs/dbraw/zinc/59/08/60/454590860.db2.gz NXZCYULRABJLNY-HNNXBMFYSA-N -1 0 346.390 3.412 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2nc(C)c(SCC#N)s2)s1 ZINC000066253642 454672458 /nfs/dbraw/zinc/67/24/58/454672458.db2.gz MOUVDZHYUWAHNR-UHFFFAOYSA-N -1 0 345.496 3.238 20 30 EGEDRM C=CCCS(=O)(=O)[N-]c1ccccc1C(=O)N(CCC)C(C)C ZINC000135414167 454674598 /nfs/dbraw/zinc/67/45/98/454674598.db2.gz LPGYQDNTDIYGJL-UHFFFAOYSA-N -1 0 338.473 3.265 20 30 EGEDRM COc1ccc(OC(C)C)c([N-]S(=O)(=O)c2ccccc2C#N)c1 ZINC000106722782 454714520 /nfs/dbraw/zinc/71/45/20/454714520.db2.gz UICAPRZOJZHFQF-UHFFFAOYSA-N -1 0 346.408 3.155 20 30 EGEDRM CC(C)(C)c1nc(Cn2[n-]c(C(C)(C)C)c(CCC#N)c2=O)no1 ZINC000153534988 454804529 /nfs/dbraw/zinc/80/45/29/454804529.db2.gz YAAYZYUYKQLUQD-UHFFFAOYSA-N -1 0 331.420 3.071 20 30 EGEDRM C=C[C@H](C)NC(=O)c1cc(Br)c([O-])c(Br)c1 ZINC000153861693 454841196 /nfs/dbraw/zinc/84/11/96/454841196.db2.gz XDGAWXMRLPQESI-LURJTMIESA-N -1 0 349.022 3.222 20 30 EGEDRM Cc1cc(F)cc2c(O)c(C(=O)N(C)Cc3ccc(C#N)cc3)cnc12 ZINC000155378043 454993511 /nfs/dbraw/zinc/99/35/11/454993511.db2.gz FGUZPZFMELRMRU-UHFFFAOYSA-N -1 0 349.365 3.120 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)Nc2ccc3[nH]c(C)cc3c2)cc1C#N ZINC000128183254 455032325 /nfs/dbraw/zinc/03/23/25/455032325.db2.gz XLAMWLGMMQVJCZ-UHFFFAOYSA-N -1 0 338.392 3.011 20 30 EGEDRM C=CCN(Cc1ccccc1F)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179445471 455048733 /nfs/dbraw/zinc/04/87/33/455048733.db2.gz LADCLZKSDYTJMN-UHFFFAOYSA-N -1 0 330.315 3.268 20 30 EGEDRM CCN(C[C@@H](C)C#N)C(=O)c1cc(Cl)cc(Br)c1[O-] ZINC000119057481 455123241 /nfs/dbraw/zinc/12/32/41/455123241.db2.gz DKONBYDEKRHWFB-QMMMGPOBSA-N -1 0 345.624 3.430 20 30 EGEDRM C=CCn1c(=O)c2ccc(C(=O)N[C@H]3CC=CCC3)cc2[n-]c1=S ZINC000172392383 455150749 /nfs/dbraw/zinc/15/07/49/455150749.db2.gz RNCHPUTZEBCHJH-ZDUSSCGKSA-N -1 0 341.436 3.084 20 30 EGEDRM N#CCc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cc1 ZINC000183004964 455208495 /nfs/dbraw/zinc/20/84/95/455208495.db2.gz DVGAVOROFGGQCT-UHFFFAOYSA-N -1 0 331.784 3.079 20 30 EGEDRM COc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cc1F ZINC000183007895 455208845 /nfs/dbraw/zinc/20/88/45/455208845.db2.gz MLVNKXHGHJSGPF-UHFFFAOYSA-N -1 0 340.763 3.160 20 30 EGEDRM CCCCn1cc(C([O-])=C(C#N)c2cnc3ccccc3n2)c(C)n1 ZINC000190987150 455419602 /nfs/dbraw/zinc/41/96/02/455419602.db2.gz WXYDGPRSJYPNJW-AWEZNQCLSA-N -1 0 333.395 3.425 20 30 EGEDRM C=CCN(CCOC)C(=O)c1cc(Cl)cc(Br)c1[O-] ZINC000191789690 455520226 /nfs/dbraw/zinc/52/02/26/455520226.db2.gz DBAZQNMWLLPGTL-UHFFFAOYSA-N -1 0 348.624 3.083 20 30 EGEDRM C=C(C)C[C@H](C)C(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)[O-] ZINC000192902348 455714707 /nfs/dbraw/zinc/71/47/07/455714707.db2.gz RUFPWQUDAWBOPH-ZBEGNZNMSA-N -1 0 332.375 3.021 20 30 EGEDRM N#C[C@@H](NC(=O)c1cc(F)c(F)c([O-])c1F)c1ccccc1Cl ZINC000186349429 455749600 /nfs/dbraw/zinc/74/96/00/455749600.db2.gz DQNFNKCKBJSVPX-LLVKDONJSA-N -1 0 340.688 3.458 20 30 EGEDRM COc1cc(SC)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000193267791 455750629 /nfs/dbraw/zinc/75/06/29/455750629.db2.gz ICIVIXLQLCKHST-UHFFFAOYSA-N -1 0 348.449 3.398 20 30 EGEDRM N#CCc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000193358184 455754797 /nfs/dbraw/zinc/75/47/97/455754797.db2.gz YDYNWLZMFQEDFF-UHFFFAOYSA-N -1 0 331.784 3.079 20 30 EGEDRM Cc1cccc(CS(=O)(=O)[N-]c2ncccc2OCCCC#N)c1 ZINC000186583111 455799095 /nfs/dbraw/zinc/79/90/95/455799095.db2.gz WRWKNRGZKHVYRT-UHFFFAOYSA-N -1 0 345.424 3.015 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2cnn(Cc3ccccc3)c2C)n1 ZINC000194081636 455799766 /nfs/dbraw/zinc/79/97/66/455799766.db2.gz KLNKNXRWIUNXMZ-HNNXBMFYSA-N -1 0 336.420 3.495 20 30 EGEDRM CCCN(CC#N)C(=O)c1nn(-c2cccc(C(C)C)c2)cc1[O-] ZINC000279232469 455861421 /nfs/dbraw/zinc/86/14/21/455861421.db2.gz PDCCTZZREUDECM-UHFFFAOYSA-N -1 0 326.400 3.077 20 30 EGEDRM CCn1ncc(C#N)c1[N-]S(=O)(=O)c1ccc(C(C)(C)CC)cc1 ZINC000187765011 455949985 /nfs/dbraw/zinc/94/99/85/455949985.db2.gz LYZHAYDJLWBCBJ-UHFFFAOYSA-N -1 0 346.456 3.263 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2OC2CCCC2)cn1 ZINC000195444000 455961980 /nfs/dbraw/zinc/96/19/80/455961980.db2.gz OAIXCSRGXHHQJO-UHFFFAOYSA-N -1 0 343.408 3.075 20 30 EGEDRM N#CCc1cccc(C(=O)N(CCCC(=O)[O-])Cc2ccccc2)c1 ZINC000262196709 456010237 /nfs/dbraw/zinc/01/02/37/456010237.db2.gz UFRCXPNYERHVIE-UHFFFAOYSA-N -1 0 336.391 3.260 20 30 EGEDRM COc1cc(OC)c(NC(=O)c2ccc(C#N)c([O-])c2)cc1Cl ZINC000188219860 456023876 /nfs/dbraw/zinc/02/38/76/456023876.db2.gz AZUPFEKVCDCGFX-UHFFFAOYSA-N -1 0 332.743 3.187 20 30 EGEDRM CC#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000219283802 456035646 /nfs/dbraw/zinc/03/56/46/456035646.db2.gz PVYRHLYBXKFNPL-LJQANCHMSA-N -1 0 349.386 3.392 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)cc1[O-] ZINC000188328047 456044414 /nfs/dbraw/zinc/04/44/14/456044414.db2.gz BHCMKTKCZBIXMQ-QGZVFWFLSA-N -1 0 338.363 3.074 20 30 EGEDRM C=CCC[C@@H](NC(=O)[C@@H](C)c1ccc(Br)cc1)C(=O)[O-] ZINC000262799629 456059171 /nfs/dbraw/zinc/05/91/71/456059171.db2.gz COGPLOVMDSDBEV-GXFFZTMASA-N -1 0 340.217 3.088 20 30 EGEDRM C=CCC[C@@H](NC(=O)[C@@H](C)CSc1ccc(F)cc1)C(=O)[O-] ZINC000262844020 456062111 /nfs/dbraw/zinc/06/21/11/456062111.db2.gz HEQUETGRICKPST-SMDDNHRTSA-N -1 0 325.405 3.090 20 30 EGEDRM Cc1ccccc1-c1cc(NC(=O)c2ccc(C#N)c([O-])c2)n(C)n1 ZINC000188596722 456091950 /nfs/dbraw/zinc/09/19/50/456091950.db2.gz XMNSOHMKLKPKHJ-UHFFFAOYSA-N -1 0 332.363 3.225 20 30 EGEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000263471499 456153952 /nfs/dbraw/zinc/15/39/52/456153952.db2.gz HYTDFYNPMGLLRQ-VXGBXAGGSA-N -1 0 335.429 3.265 20 30 EGEDRM C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(CNC(=O)C(F)(F)F)CC1 ZINC000281263935 456182821 /nfs/dbraw/zinc/18/28/21/456182821.db2.gz HQISENHJYMBJQC-LBPRGKRZSA-N -1 0 339.361 3.010 20 30 EGEDRM C=CCCCCNC(=O)N1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000274696254 456264148 /nfs/dbraw/zinc/26/41/48/456264148.db2.gz WRQNTPPWFDESBN-UHFFFAOYSA-N -1 0 345.443 3.109 20 30 EGEDRM CCc1c([N-]c2nccc(C#N)c2[N+](=O)[O-])cnn1CCC(C)C ZINC000276888707 456610571 /nfs/dbraw/zinc/61/05/71/456610571.db2.gz JTVRSVYLXUMAMA-UHFFFAOYSA-N -1 0 328.376 3.410 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(C(C)=O)cc2)n1 ZINC000340867999 456730602 /nfs/dbraw/zinc/73/06/02/456730602.db2.gz CBXVWNWESBCJCC-ZDUSSCGKSA-N -1 0 342.376 3.012 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2sc(CC)nc2C)n1 ZINC000353542194 456744503 /nfs/dbraw/zinc/74/45/03/456744503.db2.gz AYGZFGYFCFMGOG-VIFPVBQESA-N -1 0 349.437 3.137 20 30 EGEDRM C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000353857112 456937980 /nfs/dbraw/zinc/93/79/80/456937980.db2.gz LHUMWOCZSXTDCD-VIFPVBQESA-N -1 0 334.734 3.462 20 30 EGEDRM C=CCOc1ccc(C(=O)N(C)Cc2cc(C(=O)[O-])c(C)o2)cc1 ZINC000362749344 457076372 /nfs/dbraw/zinc/07/63/72/457076372.db2.gz XJILPHRQDLXFQF-UHFFFAOYSA-N -1 0 329.352 3.123 20 30 EGEDRM CC(C)(C)c1nc(=NC(=O)NCc2ccc(Cl)s2)s[n-]1 ZINC000330799429 457088564 /nfs/dbraw/zinc/08/85/64/457088564.db2.gz IHRIMWJRAIXGNM-UHFFFAOYSA-N -1 0 330.866 3.499 20 30 EGEDRM Cc1occc1-c1cc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)no1 ZINC000362874946 457136967 /nfs/dbraw/zinc/13/69/67/457136967.db2.gz MRCQHOBAOYCRKP-UHFFFAOYSA-N -1 0 343.364 3.224 20 30 EGEDRM CCC(CC)c1n[n-]c(=NC(=O)NCCc2cccc(C#N)c2)s1 ZINC000342200651 457164966 /nfs/dbraw/zinc/16/49/66/457164966.db2.gz BDRUZZHDQQVLDZ-UHFFFAOYSA-N -1 0 343.456 3.099 20 30 EGEDRM Cc1nc(Cc2ccccc2)sc1C([O-])=C(C#N)c1ccncn1 ZINC000354463509 457239898 /nfs/dbraw/zinc/23/98/98/457239898.db2.gz ICNXGRRBPAWKDL-AWEZNQCLSA-N -1 0 334.404 3.322 20 30 EGEDRM CC(C)Sc1ccc([N+](=O)[O-])cc1C([O-])=C(C#N)c1ccncn1 ZINC000354467858 457242123 /nfs/dbraw/zinc/24/21/23/457242123.db2.gz OHEAYKVKDGPCQZ-ZDUSSCGKSA-N -1 0 342.380 3.375 20 30 EGEDRM CC(C)CC(=O)Nc1ccc(C([O-])=C(C#N)c2ccncn2)cc1F ZINC000354469167 457243675 /nfs/dbraw/zinc/24/36/75/457243675.db2.gz MSMDHICZBIAMAV-ZDUSSCGKSA-N -1 0 340.358 3.090 20 30 EGEDRM COc1ccc(-c2nc(C([O-])=C(C#N)c3ccncn3)cs2)cc1 ZINC000354472643 457245871 /nfs/dbraw/zinc/24/58/71/457245871.db2.gz PDSFAZJIWBFCCA-ZDUSSCGKSA-N -1 0 336.376 3.099 20 30 EGEDRM N#Cc1ccc(C(F)(F)F)nc1N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000347237335 457304841 /nfs/dbraw/zinc/30/48/41/457304841.db2.gz POCLVCUUGZQGNZ-GFCCVEGCSA-N -1 0 335.285 3.080 20 30 EGEDRM C=C[C@H](CC(=O)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1)c1ccccc1 ZINC000355754317 457414904 /nfs/dbraw/zinc/41/49/04/457414904.db2.gz SLSUTAAZADKYNX-CYBMUJFWSA-N -1 0 334.379 3.476 20 30 EGEDRM C=CCCn1cc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)nn1 ZINC000425319752 457495692 /nfs/dbraw/zinc/49/56/92/457495692.db2.gz WHXJXJKXZSRHKX-LLVKDONJSA-N -1 0 329.429 3.098 20 30 EGEDRM C=CCCC[C@H](C)NC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000398238911 457497134 /nfs/dbraw/zinc/49/71/34/457497134.db2.gz XUQKCHQPZPVGCM-SUMWQHHRSA-N -1 0 343.427 3.208 20 30 EGEDRM Cn1cc(C([O-])=C(C#N)c2nc3ccccc3n2C)c(-c2ccoc2)n1 ZINC000434620655 458024260 /nfs/dbraw/zinc/02/42/60/458024260.db2.gz YVCPXEAYHPSRIU-CYBMUJFWSA-N -1 0 345.362 3.057 20 30 EGEDRM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000427767606 458032268 /nfs/dbraw/zinc/03/22/68/458032268.db2.gz CMNNVZUSAWFZEC-UHFFFAOYSA-N -1 0 349.343 3.023 20 30 EGEDRM Cc1c([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)cnn1CCC(C)C ZINC000435731979 458193056 /nfs/dbraw/zinc/19/30/56/458193056.db2.gz NPJQTRFECWKKRP-UHFFFAOYSA-N -1 0 346.456 3.219 20 30 EGEDRM C=C(C)Cn1c(-c2cc(C)oc2C)n[n-]c1=Nc1c(C)n[nH]c1C ZINC000358825210 458240408 /nfs/dbraw/zinc/24/04/08/458240408.db2.gz FYJGSQSTNRBUFU-UHFFFAOYSA-N -1 0 326.404 3.236 20 30 EGEDRM CC(C)(C#N)CCCCSc1n[n-]c(=NC[C@H]2CCCO2)s1 ZINC000436210173 458269674 /nfs/dbraw/zinc/26/96/74/458269674.db2.gz ZBNXAXJUPWJFFV-GFCCVEGCSA-N -1 0 340.518 3.363 20 30 EGEDRM C=CC[C@@H]1N(C(=O)NCc2nc(C(F)(F)F)n[nH]2)CCCC1(C)C ZINC000447833490 458351434 /nfs/dbraw/zinc/35/14/34/458351434.db2.gz ONJMZBNIRLCHHV-JTQLQIEISA-N -1 0 345.369 3.100 20 30 EGEDRM CCc1cccc(Oc2ccc([N-]S(=O)(=O)[C@@H](C#N)CC)cn2)c1 ZINC000416942832 458357655 /nfs/dbraw/zinc/35/76/55/458357655.db2.gz SKTGOOISTQGTLZ-MRXNPFEDSA-N -1 0 345.424 3.480 20 30 EGEDRM CC(=O)c1ccc([O-])c(NC(=O)C(C)(C)Oc2ccc(C#N)cc2)c1 ZINC000436679108 458357769 /nfs/dbraw/zinc/35/77/69/458357769.db2.gz INVMPQUJIMEXQE-UHFFFAOYSA-N -1 0 338.363 3.263 20 30 EGEDRM CC(C)(C)Oc1ccc(NC(=O)N2CC[C@](C)(C(=O)[O-])C2)cc1C#N ZINC000417769777 458367257 /nfs/dbraw/zinc/36/72/57/458367257.db2.gz BDICXFGDVNISCZ-SFHVURJKSA-N -1 0 345.399 3.064 20 30 EGEDRM C=CCC[C@@H](NC(=O)[C@H](OC1CCCC1)c1ccccc1)C(=O)[O-] ZINC000448991654 458418583 /nfs/dbraw/zinc/41/85/83/458418583.db2.gz JNFVFGWAHZTOFR-IAGOWNOFSA-N -1 0 331.412 3.223 20 30 EGEDRM C=CC(C)(C)CNC(=O)N=c1[n-]nc(Cc2ccccc2F)s1 ZINC000454740796 458573128 /nfs/dbraw/zinc/57/31/28/458573128.db2.gz AXYMOSPYNJBVMQ-UHFFFAOYSA-N -1 0 334.420 3.024 20 30 EGEDRM CC(C)C[C@H](CNC(=O)Nc1ccc(CC#N)cc1Cl)C(=O)[O-] ZINC000424387025 458630930 /nfs/dbraw/zinc/63/09/30/458630930.db2.gz IHPHHVNHBGNIBY-GFCCVEGCSA-N -1 0 337.807 3.274 20 30 EGEDRM CCSc1n[n-]c(=NC(=O)N[C@@H](CCC#N)c2ccccc2)s1 ZINC000439307163 458688175 /nfs/dbraw/zinc/68/81/75/458688175.db2.gz VKPDUJHIBZCUHM-LBPRGKRZSA-N -1 0 347.469 3.239 20 30 EGEDRM C=CC[C@@H](CC)NC(=O)N=c1[n-]nc(Cc2ccccc2F)s1 ZINC000439496883 458717370 /nfs/dbraw/zinc/71/73/70/458717370.db2.gz WLTLZHPZXLPJOF-GFCCVEGCSA-N -1 0 334.420 3.166 20 30 EGEDRM C=CCc1cc(CN=c2[n-]nc(C3CC3)s2)cc(OC)c1OC ZINC000432360887 458723546 /nfs/dbraw/zinc/72/35/46/458723546.db2.gz BMSHAPAESLHZSN-UHFFFAOYSA-N -1 0 331.441 3.195 20 30 EGEDRM C=C(C)C[C@H](C)C(=O)N[C@@H](C(=O)[O-])c1ccc(OC(F)F)cc1 ZINC000439932555 458766832 /nfs/dbraw/zinc/76/68/32/458766832.db2.gz XIZXPJXMFGKAIR-GXFFZTMASA-N -1 0 327.327 3.132 20 30 EGEDRM CC(C)(C)OC(=O)NC1(C/N=C/c2cc([N+](=O)[O-])ccc2[O-])CCC1 ZINC000495136854 458803177 /nfs/dbraw/zinc/80/31/77/458803177.db2.gz DHZUQFCDYHHJON-VCHYOVAHSA-N -1 0 349.387 3.167 20 30 EGEDRM C=CCn1c(Cc2ccccc2F)n[n-]c1=Nc1cccc(OC)c1 ZINC000514972391 458804014 /nfs/dbraw/zinc/80/40/14/458804014.db2.gz MMPRMOBWZYWYEI-UHFFFAOYSA-N -1 0 338.386 3.368 20 30 EGEDRM C=CCOc1ccccc1C(=O)N=c1nc(-c2ccccc2)[n-]s1 ZINC000515706083 458812358 /nfs/dbraw/zinc/81/23/58/458812358.db2.gz VBVHHTKJCVLONF-UHFFFAOYSA-N -1 0 337.404 3.444 20 30 EGEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]c2cccc3ccncc32)c(F)c1 ZINC000531555193 458935259 /nfs/dbraw/zinc/93/52/59/458935259.db2.gz KDNKDNJLIZVKTM-UHFFFAOYSA-N -1 0 345.330 3.185 20 30 EGEDRM N#CCc1ccnc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000532162686 459040314 /nfs/dbraw/zinc/04/03/14/459040314.db2.gz ZTKFQUAXLHSSBE-UHFFFAOYSA-N -1 0 342.207 3.255 20 30 EGEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2nnc3ccccc3n2)s1 ZINC000578807835 459239538 /nfs/dbraw/zinc/23/95/38/459239538.db2.gz DFFDWMNAZUWFEE-JTQLQIEISA-N -1 0 337.408 3.269 20 30 EGEDRM C=C[C@H](CC(=O)NCCOc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000579071162 459242604 /nfs/dbraw/zinc/24/26/04/459242604.db2.gz OFEWTRQAPYFSJV-OAHLLOKOSA-N -1 0 339.391 3.240 20 30 EGEDRM C=CCN(C(=O)c1nn(-c2ccc(C(C)C)cc2)cc1[O-])C1CC1 ZINC000540132664 459379888 /nfs/dbraw/zinc/37/98/88/459379888.db2.gz ICZIOZGSCCWAEF-UHFFFAOYSA-N -1 0 325.412 3.492 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cnc3c(c2)CCCC3)cc1Cl ZINC000541073198 459425241 /nfs/dbraw/zinc/42/52/41/459425241.db2.gz QWRJSLCCXXDWQX-UHFFFAOYSA-N -1 0 347.827 3.286 20 30 EGEDRM CC(CCCCNC(=O)OC(C)(C)C)=NN=c1ccc(Cl)n[n-]1 ZINC000497193155 459479810 /nfs/dbraw/zinc/47/98/10/459479810.db2.gz JVCSYVVEGBRAIZ-UHFFFAOYSA-N -1 0 341.843 3.035 20 30 EGEDRM C#CCN(Cc1ccc(F)cc1)C(=O)CCc1ccccc1C(=O)[O-] ZINC000490913223 459589900 /nfs/dbraw/zinc/58/99/00/459589900.db2.gz CQZJVBOUUCAQGG-UHFFFAOYSA-N -1 0 339.366 3.119 20 30 EGEDRM COC(=O)c1cccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)c1 ZINC000592398750 459591995 /nfs/dbraw/zinc/59/19/95/459591995.db2.gz JKGGDHAWFIDJGP-ZDUSSCGKSA-N -1 0 326.377 3.297 20 30 EGEDRM C=CC[C@@H]1N(C(=O)N=c2nc3cc(Cl)ccn3[n-]2)CCCC1(C)C ZINC000584142639 459664459 /nfs/dbraw/zinc/66/44/59/459664459.db2.gz JQROSYUTYXNRJJ-ZDUSSCGKSA-N -1 0 347.850 3.403 20 30 EGEDRM C=CCSc1ccccc1NC(=O)CN1C[C@H](C(=O)[O-])CC[C@H]1C ZINC000566219470 459824701 /nfs/dbraw/zinc/82/47/01/459824701.db2.gz DBDOAKULMZPRRQ-ZIAGYGMSSA-N -1 0 348.468 3.088 20 30 EGEDRM CC(C)c1ccc(Cl)c(S(=O)(=O)[N-]c2ncc(C#N)s2)c1 ZINC000585729680 459837841 /nfs/dbraw/zinc/83/78/41/459837841.db2.gz AXCXTAWQCQJZJR-UHFFFAOYSA-N -1 0 341.845 3.014 20 30 EGEDRM CCN(CC#N)Cc1cc(Br)c([O-])c(Br)c1 ZINC000589820420 460142693 /nfs/dbraw/zinc/14/26/93/460142693.db2.gz NFJHBVDVNXDVET-UHFFFAOYSA-N -1 0 348.038 3.263 20 30 EGEDRM CCCN(C(=O)N=c1[n-]n(C)cc1C#N)[C@@H](CC)c1ccccc1 ZINC000610561136 460183651 /nfs/dbraw/zinc/18/36/51/460183651.db2.gz PQTDJPDOWZLMAS-INIZCTEOSA-N -1 0 325.416 3.109 20 30 EGEDRM CC(C)c1ccc([C@@H](NC(=O)N=c2[n-]n(C)cc2C#N)C(C)C)cc1 ZINC000610564827 460185429 /nfs/dbraw/zinc/18/54/29/460185429.db2.gz XAIUVEFEQBWQNT-KRWDZBQOSA-N -1 0 339.443 3.356 20 30 EGEDRM CC(C)Cc1nc(=NC(=O)C[C@H](CC#N)c2ccccc2)s[n-]1 ZINC000598190737 460199130 /nfs/dbraw/zinc/19/91/30/460199130.db2.gz FQFRQAFMOQIVQR-AWEZNQCLSA-N -1 0 328.441 3.185 20 30 EGEDRM N#CCC[C@@H](NC(=O)C[C@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000610968008 460268129 /nfs/dbraw/zinc/26/81/29/460268129.db2.gz SMJGDWZERNPZLD-ZWKOTPCHSA-N -1 0 336.391 3.406 20 30 EGEDRM N#Cc1ccccc1Oc1ccc(NC(=O)CCC(=O)[O-])cc1F ZINC000611092673 460287992 /nfs/dbraw/zinc/28/79/92/460287992.db2.gz HWENDWVEJXWNRR-UHFFFAOYSA-N -1 0 328.299 3.293 20 30 EGEDRM CC(C)(CCC#N)CNC(=O)[C@@](C)(CC(=O)[O-])c1ccc(F)cc1 ZINC000601981502 460969710 /nfs/dbraw/zinc/96/97/10/460969710.db2.gz FLBPJYOKFQNVII-SFHVURJKSA-N -1 0 334.391 3.004 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)CCc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000630319132 461094125 /nfs/dbraw/zinc/09/41/25/461094125.db2.gz SRAKRPYOJGRLOQ-CYBMUJFWSA-N -1 0 330.211 3.462 20 30 EGEDRM C=C(C)C[C@H](NC(=O)c1cc(C)c(Br)cc1C)C(=O)[O-] ZINC000630319781 461094835 /nfs/dbraw/zinc/09/48/35/461094835.db2.gz HTZAOGOEEWQZKN-ZDUSSCGKSA-N -1 0 340.217 3.215 20 30 EGEDRM CSc1cc(C)c(C([O-])=C(C#N)c2nnc3n2CCCCC3)o1 ZINC000663360938 461589988 /nfs/dbraw/zinc/58/99/88/461589988.db2.gz RWQIECYFTHYHBA-NSHDSACASA-N -1 0 330.413 3.118 20 30 EGEDRM Cc1cc2ncc(C([O-])=C(C#N)c3nc(C4CC4)cs3)c(C)n2n1 ZINC000647374447 461665159 /nfs/dbraw/zinc/66/51/59/461665159.db2.gz DCKLCBKUAWZGAX-LBPRGKRZSA-N -1 0 337.408 3.170 20 30 EGEDRM CN(C)C(=O)c1cccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)c1 ZINC000647377870 461668797 /nfs/dbraw/zinc/66/87/97/461668797.db2.gz YQQWAALWMJSBRH-CQSZACIVSA-N -1 0 339.420 3.212 20 30 EGEDRM C=CCCNC(=O)N[C@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000656588716 461799337 /nfs/dbraw/zinc/79/93/37/461799337.db2.gz RDJUGVQBWJEVAY-AWEZNQCLSA-N -1 0 331.199 3.169 20 30 EGEDRM C=C(C)COc1cccc(NC(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)c1 ZINC000647695313 461806502 /nfs/dbraw/zinc/80/65/02/461806502.db2.gz AWNXTQXABLPSLI-BBRMVZONSA-N -1 0 332.400 3.216 20 30 EGEDRM C=CCN1C(=O)c2ccccc2N[C@@H]1c1ccc(C(=O)[O-])c(F)c1 ZINC000639402792 461912157 /nfs/dbraw/zinc/91/21/57/461912157.db2.gz CCYAMLJLBHUYPN-INIZCTEOSA-N -1 0 326.327 3.276 20 30 EGEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C)ccc1Cl ZINC000345524753 536657979 /nfs/dbraw/zinc/65/79/79/536657979.db2.gz ZNJRLYHNOSKBBM-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM COc1ccc2c(c1[N-]S(=O)(=O)c1cc(C#N)ccc1C)CCC2 ZINC000359655762 537023854 /nfs/dbraw/zinc/02/38/54/537023854.db2.gz ZUUZKIZJFPGKOM-UHFFFAOYSA-N -1 0 342.420 3.165 20 30 EGEDRM O=C(C/N=C\c1cc(Cl)ccc1O)N1CCc2ccccc2C1 ZINC000726428397 574552733 /nfs/dbraw/zinc/55/27/33/574552733.db2.gz AGXCVELRTMXQKH-JMIUGGIZSA-N -1 0 328.799 3.049 20 30 EGEDRM C=CCNC(=O)C(C#N)=C([O-])c1cc(C)c(-c2ccc(F)cc2)s1 ZINC000726733046 574568643 /nfs/dbraw/zinc/56/86/43/574568643.db2.gz OZVVGDKSLFBOOI-AWEZNQCLSA-N -1 0 342.395 3.487 20 30 EGEDRM CCc1cc(N=NCc2ccc(C(=O)[O-])cc2)nc(-c2ccccn2)n1 ZINC000730464092 574990111 /nfs/dbraw/zinc/99/01/11/574990111.db2.gz GFPAUVIQOAXODS-UHFFFAOYSA-N -1 0 347.378 3.245 20 30 EGEDRM COc1cc(OC)c(/C=C/C(=O)c2ccc(C(=O)[O-])s2)c(OC)c1 ZINC000730590682 575004131 /nfs/dbraw/zinc/00/41/31/575004131.db2.gz QYBSXIGIAPMJRV-SNAWJCMRSA-N -1 0 348.376 3.368 20 30 EGEDRM O=c1c2ccccc2[n-]c(=S)n1N=Cc1ccnc2ccccc12 ZINC000731314250 575064997 /nfs/dbraw/zinc/06/49/97/575064997.db2.gz HWNDOQRHXVFPIC-UHFFFAOYSA-N -1 0 332.388 3.116 20 30 EGEDRM C[C@@H]1C[C@@H]1c1ccc(C=Nn2c(=O)c3ccccc3[n-]c2=S)o1 ZINC000732769463 575287082 /nfs/dbraw/zinc/28/70/82/575287082.db2.gz IZFGHRNMIIJDNN-MFKMUULPSA-N -1 0 325.393 3.284 20 30 EGEDRM COc1ccc(C=NNc2cc(C)ccc2C)c(OCC(=O)[O-])c1 ZINC000734363702 575474247 /nfs/dbraw/zinc/47/42/47/575474247.db2.gz NMFMUALIIKJSOE-UHFFFAOYSA-N -1 0 328.368 3.221 20 30 EGEDRM CNc1cc(C([O-])=C(C#N)c2nc3ccccc3o2)cc(Cl)n1 ZINC000735911771 575731087 /nfs/dbraw/zinc/73/10/87/575731087.db2.gz UYNAQKNZGPFMHZ-SNVBAGLBSA-N -1 0 326.743 3.408 20 30 EGEDRM C=CCn1c(C)cc(C(=O)COC(=O)c2c(F)cc([O-])cc2F)c1C ZINC000735949292 575739224 /nfs/dbraw/zinc/73/92/24/575739224.db2.gz AUASYPDXLOCPQO-UHFFFAOYSA-N -1 0 349.333 3.314 20 30 EGEDRM C=CC1CCN(C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)CC1 ZINC000736096378 575899136 /nfs/dbraw/zinc/89/91/36/575899136.db2.gz MKBKGZFHOIRXIK-UHFFFAOYSA-N -1 0 340.326 3.416 20 30 EGEDRM C=CCOc1ccc(C(=O)O[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000736113740 575900176 /nfs/dbraw/zinc/90/01/76/575900176.db2.gz CIFRCLZYBQHEKH-MRXNPFEDSA-N -1 0 330.311 3.373 20 30 EGEDRM C[C@H](C#N)CN(C)C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000736202009 575914837 /nfs/dbraw/zinc/91/48/37/575914837.db2.gz LRSLLUBWJFFIFJ-GFCCVEGCSA-N -1 0 335.429 3.018 20 30 EGEDRM CC1(C)CCC(C)(C)c2cc(C(=O)N(CC#N)CC(=O)[O-])ccc21 ZINC000736726528 576014227 /nfs/dbraw/zinc/01/42/27/576014227.db2.gz LMNLBIHFWZZNJE-UHFFFAOYSA-N -1 0 328.412 3.086 20 30 EGEDRM CCCN(CC(=O)[O-])C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000737012699 576079419 /nfs/dbraw/zinc/07/94/19/576079419.db2.gz OOVYEJMSDLJEEE-UHFFFAOYSA-N -1 0 338.363 3.287 20 30 EGEDRM CN(C(=O)c1cc2ccccc2n1CC#N)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737336697 576209514 /nfs/dbraw/zinc/20/95/14/576209514.db2.gz QKLWOEIOASYBEQ-GOSISDBHSA-N -1 0 347.374 3.063 20 30 EGEDRM CN(CC(=O)[O-])C(=O)c1ccccc1SCc1ccc(C#N)cc1 ZINC000737402266 576221648 /nfs/dbraw/zinc/22/16/48/576221648.db2.gz DHZXDMFDWASVDN-UHFFFAOYSA-N -1 0 340.404 3.007 20 30 EGEDRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(C#N)cc2)cc1 ZINC000738203058 576299395 /nfs/dbraw/zinc/29/93/95/576299395.db2.gz OFEANGPLOGGQSW-INIZCTEOSA-N -1 0 340.404 3.226 20 30 EGEDRM Cc1[nH]c(C2=NNC(=Nc3ccccc3)S[C@H]2C)c(C)c1C(=O)[O-] ZINC000738247206 576305469 /nfs/dbraw/zinc/30/54/69/576305469.db2.gz WSBSTDRDWYWCLC-NSHDSACASA-N -1 0 342.424 3.446 20 30 EGEDRM Cc1oc(CN(C)Cc2cc(Cl)ccc2OCC#N)cc1C(=O)[O-] ZINC000738967089 576371188 /nfs/dbraw/zinc/37/11/88/576371188.db2.gz NIQJCRDECKUUHX-UHFFFAOYSA-N -1 0 348.786 3.474 20 30 EGEDRM N#CCN(CC(=O)[O-])C(=O)CCCc1ccc2c(c1)-c1ccccc1C2 ZINC000739077047 576376995 /nfs/dbraw/zinc/37/69/95/576376995.db2.gz GRUPBEPMHJHMDY-UHFFFAOYSA-N -1 0 348.402 3.017 20 30 EGEDRM N#CCOc1ccc(CC(=O)Oc2ccc(C(=O)[O-])cc2Cl)cc1 ZINC000739086952 576377306 /nfs/dbraw/zinc/37/73/06/576377306.db2.gz DZWYLRPKBVUHHV-UHFFFAOYSA-N -1 0 345.738 3.089 20 30 EGEDRM N#Cc1ccc([C@@H](OC(=O)c2ccc(OC(F)F)cc2)C(=O)[O-])cc1 ZINC000739114419 576378752 /nfs/dbraw/zinc/37/87/52/576378752.db2.gz GRZDLDYVWIPUCH-CQSZACIVSA-N -1 0 347.273 3.142 20 30 EGEDRM N#Cc1ccc(CSCC(=O)Nc2ccc(C(=O)[O-])cc2F)cc1 ZINC000739118521 576378949 /nfs/dbraw/zinc/37/89/49/576378949.db2.gz UGDFUYTUASNDFF-UHFFFAOYSA-N -1 0 344.367 3.267 20 30 EGEDRM COC(=O)[C@H](C/N=C\c1cc(Br)ccc1O)CC(C)C ZINC000741464070 576688341 /nfs/dbraw/zinc/68/83/41/576688341.db2.gz KMAYHDPXRDHSRF-OYZNXWOWSA-N -1 0 342.233 3.409 20 30 EGEDRM CCOc1cccc(C(=O)/C=C\c2ccc(OCC(=O)[O-])cc2)c1 ZINC000743539109 576811469 /nfs/dbraw/zinc/81/14/69/576811469.db2.gz UFKUPKNSXDADJQ-FLIBITNWSA-N -1 0 326.348 3.445 20 30 EGEDRM C[C@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)C(=O)[O-] ZINC000737688770 597330788 /nfs/dbraw/zinc/33/07/88/597330788.db2.gz GGXPZOATCPDXOL-LBPRGKRZSA-N -1 0 340.404 3.053 20 30 EGEDRM Cc1c(Cl)c(COC(=O)[C@@](C)(C#N)CC(=O)[O-])nc2ccccc12 ZINC000820945051 597617789 /nfs/dbraw/zinc/61/77/89/597617789.db2.gz QUQWJZGSGRIUIP-QGZVFWFLSA-N -1 0 346.770 3.244 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)OCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000819874723 597624659 /nfs/dbraw/zinc/62/46/59/597624659.db2.gz PPQACDZRCZCAAR-INIZCTEOSA-N -1 0 348.742 3.043 20 30 EGEDRM Cc1ccc(-c2csc(NC(=O)[C@](C)(C#N)CC(=O)[O-])n2)cc1 ZINC000821052227 598221931 /nfs/dbraw/zinc/22/19/31/598221931.db2.gz KXMAEPSVCVPEAP-INIZCTEOSA-N -1 0 329.381 3.062 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000819846447 598223047 /nfs/dbraw/zinc/22/30/47/598223047.db2.gz CTSKXKVTCXSMGT-IBGZPJMESA-N -1 0 349.346 3.438 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1sc2c(c1C#N)CCCCCC2 ZINC000819865249 598224694 /nfs/dbraw/zinc/22/46/94/598224694.db2.gz JMSORXVHDCBMRZ-QGZVFWFLSA-N -1 0 345.424 3.222 20 30 EGEDRM C[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1c(Cl)ccc(F)c1Cl ZINC000820113536 598224735 /nfs/dbraw/zinc/22/47/35/598224735.db2.gz BNOSELOJILDXCT-NXSYQRQQSA-N -1 0 347.173 3.314 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000819834426 598227501 /nfs/dbraw/zinc/22/75/01/598227501.db2.gz NDDWBVSPVKVIDV-ABAIWWIYSA-N -1 0 341.194 3.101 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NCCCc1ccc(Cl)cc1Cl ZINC000819834883 598229476 /nfs/dbraw/zinc/22/94/76/598229476.db2.gz QEVXCDPVLPQNLO-HNNXBMFYSA-N -1 0 343.210 3.047 20 30 EGEDRM N#Cc1ccc(SCC(=O)N[C@H](CC(=O)[O-])c2cccs2)cc1 ZINC000739133072 599901333 /nfs/dbraw/zinc/90/13/33/599901333.db2.gz ZKOYFKSYAPKRGO-CYBMUJFWSA-N -1 0 346.433 3.044 20 30 EGEDRM C=CCn1c(S[C@H](C(=O)[O-])c2ccccc2F)nnc1C1CC1 ZINC000825711136 600833063 /nfs/dbraw/zinc/83/30/63/600833063.db2.gz QBYBWULYDIWQLX-ZDUSSCGKSA-N -1 0 333.388 3.399 20 30 EGEDRM C#CCOc1ccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000825631424 600947581 /nfs/dbraw/zinc/94/75/81/600947581.db2.gz DLJOAIHHVYGURC-MRXNPFEDSA-N -1 0 344.750 3.335 20 30 EGEDRM C#CCOc1ccc(C(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000825631423 600947583 /nfs/dbraw/zinc/94/75/83/600947583.db2.gz DLJOAIHHVYGURC-INIZCTEOSA-N -1 0 344.750 3.335 20 30 EGEDRM COCCCOc1cccc(N[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000831705193 601229321 /nfs/dbraw/zinc/22/93/21/601229321.db2.gz ANTUIBJHBFZRPM-SFHVURJKSA-N -1 0 340.379 3.211 20 30 EGEDRM CCC1CCC(NC(=O)CCc2ccc(C#N)cc2)(C(=O)[O-])CC1 ZINC000829086323 601274104 /nfs/dbraw/zinc/27/41/04/601274104.db2.gz KVKLRBJOPQXEST-UHFFFAOYSA-N -1 0 328.412 3.031 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2nc(-c3c[nH]c(C(=O)[O-])c3)cs2)s1 ZINC000833072364 601276764 /nfs/dbraw/zinc/27/67/64/601276764.db2.gz SGICGYVUIBJHFS-UHFFFAOYSA-N -1 0 344.377 3.022 20 30 EGEDRM CC(=O)Nc1cc(N[C@@H](C(=O)[O-])c2cccc(C#N)c2)ccc1Cl ZINC000825890441 601302853 /nfs/dbraw/zinc/30/28/53/601302853.db2.gz LEXCHYWMRGRPPN-MRXNPFEDSA-N -1 0 343.770 3.408 20 30 EGEDRM COC(=O)Nc1cc(N[C@@H](C(=O)[O-])c2cccc(C#N)c2)ccc1F ZINC000831206277 601304101 /nfs/dbraw/zinc/30/41/01/601304101.db2.gz DMKJTDJPRXAPAL-OAHLLOKOSA-N -1 0 343.314 3.113 20 30 EGEDRM C[C@@H](CC#N)Sc1ccccc1NC(=O)CS[C@@H](C)C(=O)[O-] ZINC000827218583 601344919 /nfs/dbraw/zinc/34/49/19/601344919.db2.gz RIVPVROMJSPVHY-QWRGUYRKSA-N -1 0 338.454 3.226 20 30 EGEDRM C/C(=C/C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(F)cc1 ZINC000825724872 601350557 /nfs/dbraw/zinc/35/05/57/601350557.db2.gz WJRYQDQMOKWFOP-ZVBPTUHVSA-N -1 0 339.322 3.470 20 30 EGEDRM CCO[C@@H](C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1)c1ccccc1 ZINC000829901564 601350822 /nfs/dbraw/zinc/35/08/22/601350822.db2.gz PAMNVOQZZXDSGW-DLBZAZTESA-N -1 0 339.347 3.005 20 30 EGEDRM Cn1ccc2c1cccc2C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000833055141 601352132 /nfs/dbraw/zinc/35/21/32/601352132.db2.gz FJLNDCZTAWLVAU-QGZVFWFLSA-N -1 0 334.331 3.033 20 30 EGEDRM C/C(=C/C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1)c1cccc(F)c1 ZINC000825723873 601352586 /nfs/dbraw/zinc/35/25/86/601352586.db2.gz CRQJBWJIWGAFBJ-QCSXQHJISA-N -1 0 339.322 3.470 20 30 EGEDRM C[C@@H](Cc1ccccc1F)C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000827592730 601353383 /nfs/dbraw/zinc/35/33/83/601353383.db2.gz TVSHVULZQKYLOF-SJCJKPOMSA-N -1 0 341.338 3.245 20 30 EGEDRM Cc1c(C(=O)[O-])c2cc(OC(=O)c3ccc(C#N)s3)ccc2n1C ZINC000832851809 601450589 /nfs/dbraw/zinc/45/05/89/601450589.db2.gz HKZAEIZMDLIKIE-UHFFFAOYSA-N -1 0 340.360 3.337 20 30 EGEDRM C[C@H](C#N)CNC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000825966370 601556842 /nfs/dbraw/zinc/55/68/42/601556842.db2.gz BBFLFHJJPLGADQ-CQSZACIVSA-N -1 0 347.374 3.066 20 30 EGEDRM O=C([O-])c1ccc(CON=Cc2c(Cl)nc3ccccn32)cc1F ZINC000833315655 601637012 /nfs/dbraw/zinc/63/70/12/601637012.db2.gz ZCXLYTBIBPXCTL-UHFFFAOYSA-N -1 0 347.733 3.376 20 30 EGEDRM N#Cc1cc(F)c(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c(F)c1 ZINC000833069117 601652503 /nfs/dbraw/zinc/65/25/03/601652503.db2.gz VESSKOYVCDWJRN-UHFFFAOYSA-N -1 0 336.681 3.440 20 30 EGEDRM Cc1sc(C(=O)[O-])cc1COC(=O)CCc1ccc(C#N)cc1 ZINC000833032330 601720565 /nfs/dbraw/zinc/72/05/65/601720565.db2.gz ZUEDRVYHWYMRMR-UHFFFAOYSA-N -1 0 329.377 3.302 20 30 EGEDRM C[C@H]1CN(C(=O)Nc2cccc(C#Cc3ccccc3)c2)C[C@H]1C(=O)[O-] ZINC000828377464 601775675 /nfs/dbraw/zinc/77/56/75/601775675.db2.gz JPKUTJNQPHOKNX-HNAYVOBHSA-N -1 0 348.402 3.271 20 30 EGEDRM O=C([O-])c1cc(/C=C/C(=O)c2ccc(Br)s2)c[nH]1 ZINC000833297860 601791507 /nfs/dbraw/zinc/79/15/07/601791507.db2.gz KRAHAAJFHLXBAC-OWOJBTEDSA-N -1 0 326.171 3.433 20 30 EGEDRM CCC[C@@H](C#N)NC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000829183977 601993281 /nfs/dbraw/zinc/99/32/81/601993281.db2.gz DIRGSVPTRIQSBR-JTQLQIEISA-N -1 0 329.278 3.217 20 30 EGEDRM CC(C)[C@@H](C#N)NC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000826669909 602006064 /nfs/dbraw/zinc/00/60/64/602006064.db2.gz WXCCHVZMJAFPSM-LLVKDONJSA-N -1 0 329.278 3.073 20 30 EGEDRM N#C[C@@H]1CCC[C@H]1NC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000833064280 602026845 /nfs/dbraw/zinc/02/68/45/602026845.db2.gz HBTVMEYFSNQYBY-QPUJVOFHSA-N -1 0 341.289 3.217 20 30 EGEDRM Cc1ccc([N+](=O)[O-])cc1NN=Cc1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000794900114 602073914 /nfs/dbraw/zinc/07/39/14/602073914.db2.gz VMGBNIHZKAOQMI-LBPRGKRZSA-N -1 0 343.339 3.201 20 30 EGEDRM C[C@H](Oc1ccc(/C=C\C(=O)c2ccc3c(c2)OCO3)cc1)C(=O)[O-] ZINC000794689809 602105070 /nfs/dbraw/zinc/10/50/70/602105070.db2.gz FDJYIVZOULGTRR-LDJOOVGUSA-N -1 0 340.331 3.163 20 30 EGEDRM COc1cccc(C(=O)/C=C/c2ccc(O[C@@H](C)C(=O)[O-])cc2)c1 ZINC000794692919 602105589 /nfs/dbraw/zinc/10/55/89/602105589.db2.gz ZGEBVWDSMHTHRE-YKWSONSWSA-N -1 0 326.348 3.443 20 30 EGEDRM C[C@H](Oc1ccc(/C=C2\COc3c(F)cccc3C2=O)cc1)C(=O)[O-] ZINC000606443743 602109173 /nfs/dbraw/zinc/10/91/73/602109173.db2.gz RGFURALZZDEDQD-GJSJWPQCSA-N -1 0 342.322 3.336 20 30 EGEDRM N#Cc1ccc(-c2nnc(CNc3ccc(F)c(C(=O)[O-])c3)o2)cc1 ZINC000833071113 602127455 /nfs/dbraw/zinc/12/74/55/602127455.db2.gz XDHFHNBVDMOVGO-UHFFFAOYSA-N -1 0 338.298 3.058 20 30 EGEDRM N#Cc1cccc(-c2nnc(CNc3ccc(F)c(C(=O)[O-])c3)o2)c1 ZINC000833073418 602127511 /nfs/dbraw/zinc/12/75/11/602127511.db2.gz BAUWOXBOQKQGHC-UHFFFAOYSA-N -1 0 338.298 3.058 20 30 EGEDRM C[C@@H](CC#N)N(C)C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000827213201 602230539 /nfs/dbraw/zinc/23/05/39/602230539.db2.gz KWECFJFALQNTBG-LBPRGKRZSA-N -1 0 341.367 3.069 20 30 EGEDRM CC[C@@H](OC1CCCCC1)C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000829009713 602271507 /nfs/dbraw/zinc/27/15/07/602271507.db2.gz MLZDKCHNPUFVTE-SJORKVTESA-N -1 0 345.395 3.355 20 30 EGEDRM CC(C)(C(=O)[O-])[C@@H](NC(=O)c1ccc(C#N)s1)c1ccccc1 ZINC000826103736 604388933 /nfs/dbraw/zinc/38/89/33/604388933.db2.gz VUHNWMBMBLUYFN-AWEZNQCLSA-N -1 0 328.393 3.202 20 30 EGEDRM CC(C)(Oc1ccc(C#N)cc1)C(=O)OCc1cccc(C(=O)[O-])c1 ZINC000826642399 604410189 /nfs/dbraw/zinc/41/01/89/604410189.db2.gz YAFJDXCQEDSVQR-UHFFFAOYSA-N -1 0 339.347 3.157 20 30 EGEDRM C=CCSCCNC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000825702690 604482033 /nfs/dbraw/zinc/48/20/33/604482033.db2.gz UUJQVQQSGRUSBJ-CQSZACIVSA-N -1 0 336.457 3.057 20 30 EGEDRM C=C(C)[C@H](CC(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C)OCC ZINC000833368003 604545744 /nfs/dbraw/zinc/54/57/44/604545744.db2.gz ZFSXIEBPBGEKAA-INIZCTEOSA-N -1 0 335.400 3.482 20 30 EGEDRM CC(C)OC(=O)c1ccc(OCc2cccc(C(=O)[O-])c2C#N)cc1 ZINC000833501949 604546035 /nfs/dbraw/zinc/54/60/35/604546035.db2.gz DROKTBLZTAURME-UHFFFAOYSA-N -1 0 339.347 3.401 20 30 EGEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC000825966483 604627142 /nfs/dbraw/zinc/62/71/42/604627142.db2.gz DYONBIXSYNANSU-QWHCGFSZSA-N -1 0 347.440 3.409 20 30 EGEDRM CN(Cc1cc(C#N)cs1)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000833694531 604675679 /nfs/dbraw/zinc/67/56/79/604675679.db2.gz LFIQFXMEYUXIKD-CQSZACIVSA-N -1 0 340.326 3.295 20 30 EGEDRM Cc1ccc(Cl)c(N)c1C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000832935385 604692548 /nfs/dbraw/zinc/69/25/48/604692548.db2.gz ZYQQETPXPFUDRQ-OAHLLOKOSA-N -1 0 344.754 3.085 20 30 EGEDRM C=CCN(Cc1cccc(C#N)c1)C(=O)CCc1ccccc1C(=O)[O-] ZINC000833375810 604724202 /nfs/dbraw/zinc/72/42/02/604724202.db2.gz GXEQBKLVPRWRBZ-UHFFFAOYSA-N -1 0 348.402 3.404 20 30 EGEDRM CC(C)c1ncc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)s1 ZINC000827158189 604840414 /nfs/dbraw/zinc/84/04/14/604840414.db2.gz AGTVPRZFBVLSSW-CYBMUJFWSA-N -1 0 330.365 3.121 20 30 EGEDRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=S)Nc2ccccc2C#N)C1 ZINC000833417774 604857433 /nfs/dbraw/zinc/85/74/33/604857433.db2.gz XMZRGGCNEOWPFQ-ZDUSSCGKSA-N -1 0 331.441 3.078 20 30 EGEDRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)[C@H](C#N)c1ccc2ccccc2n1 ZINC000832846548 604879139 /nfs/dbraw/zinc/87/91/39/604879139.db2.gz VDTNXIPKTONURT-CYBMUJFWSA-N -1 0 333.347 3.368 20 30 EGEDRM Cc1cccc2[nH]c([C@H](C#N)C(=O)c3ccc(C(=O)[O-])c(F)c3)nc21 ZINC000832975598 604885894 /nfs/dbraw/zinc/88/58/94/604885894.db2.gz DSFJYVCBRUZZHX-GFCCVEGCSA-N -1 0 337.310 3.199 20 30 EGEDRM C[C@@H](CC#N)NN=Cc1ccccc1OCc1ccc(C(=O)[O-])cc1 ZINC000827218521 604984210 /nfs/dbraw/zinc/98/42/10/604984210.db2.gz QYXAASUSUCLCEJ-AWEZNQCLSA-N -1 0 337.379 3.189 20 30 EGEDRM C=CCC[C@@H](NC(=O)CN(C)C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000833373418 605003181 /nfs/dbraw/zinc/00/31/81/605003181.db2.gz NZIHEMDJWZSEQU-CYBMUJFWSA-N -1 0 344.333 3.439 20 30 EGEDRM C[C@H](C(=O)OCc1cccc(C(=O)[O-])c1C#N)c1c(F)cccc1F ZINC000833409433 605036188 /nfs/dbraw/zinc/03/61/88/605036188.db2.gz LTDYVJYSMFEVJR-JTQLQIEISA-N -1 0 345.301 3.382 20 30 EGEDRM C=CCOc1cccnc1C(=O)Oc1ccc(C(=O)[O-])cc1Cl ZINC000833378989 605146913 /nfs/dbraw/zinc/14/69/13/605146913.db2.gz SLSJZPAAGVNXSB-UHFFFAOYSA-N -1 0 333.727 3.217 20 30 EGEDRM C[C@]1(NC(=O)c2ccc(C3(C#N)CC3)cc2)CCCC[C@H]1C(=O)[O-] ZINC000833567267 605221212 /nfs/dbraw/zinc/22/12/12/605221212.db2.gz KEOSRJZUFTWUBL-YJBOKZPZSA-N -1 0 326.396 3.005 20 30 EGEDRM N#Cc1c(Cl)nsc1N(CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC000833760813 605241861 /nfs/dbraw/zinc/24/18/61/605241861.db2.gz DGQVKUQDEFMYSQ-UHFFFAOYSA-N -1 0 342.207 3.413 20 30 EGEDRM N#CCCN(Cc1ccco1)C(=O)Nc1ccc(NC(=O)[O-])c(F)c1 ZINC000833760037 605284314 /nfs/dbraw/zinc/28/43/14/605284314.db2.gz FISOGFIRDIEUTL-UHFFFAOYSA-N -1 0 346.318 3.456 20 30 EGEDRM C=CCC[C@H](NC(=O)NC1CCN(C(=O)[O-])CC1)c1ccccc1 ZINC000823496293 605519170 /nfs/dbraw/zinc/51/91/70/605519170.db2.gz HJBUGWFNWGSTFF-INIZCTEOSA-N -1 0 331.416 3.136 20 30 EGEDRM CC1(C#N)CCN(C(=O)Nc2scc(C3CC3)c2C(=O)[O-])CC1 ZINC000833551173 605715391 /nfs/dbraw/zinc/71/53/91/605715391.db2.gz IACOKNLMDAUAIY-UHFFFAOYSA-N -1 0 333.413 3.481 20 30 EGEDRM C=CCNN=Cc1cc(Br)c([O-])c(Br)c1 ZINC000795004229 1309648495 /nfs/dbraw/zinc/64/84/95/1309648495.db2.gz YRIBXUHZVRZCTP-UHFFFAOYSA-N -1 0 334.011 3.027 20 30 EGEDRM N#Cc1nc(NC(=O)c2sc3ccccc3c2Cl)[n-]c1C#N ZINC000026272812 1291269412 /nfs/dbraw/zinc/26/94/12/1291269412.db2.gz YEPZTXFODDNOPO-UHFFFAOYSA-N -1 0 327.756 3.273 20 30 EGEDRM COc1ccc(CCC(=O)[N-]S(=O)(=O)c2cccs2)cc1 ZINC000042243260 1291437357 /nfs/dbraw/zinc/43/73/57/1291437357.db2.gz JRPQQBYQHVLBEP-UHFFFAOYSA-N -1 0 325.411 3.035 20 30 EGEDRM O=C([N-]S(=O)(=O)c1cccs1)c1ccc(C(F)(F)F)cc1 ZINC000042243706 1291437562 /nfs/dbraw/zinc/43/75/62/1291437562.db2.gz YVSODESFOLFHTF-UHFFFAOYSA-N -1 0 335.328 3.460 20 30 EGEDRM COCc1ccc(C(=O)[N-]S(=O)(=O)C=Cc2ccccc2)cc1 ZINC000042319066 1291440631 /nfs/dbraw/zinc/44/06/31/1291440631.db2.gz MSRBKINJRXWIEG-VAWYXSNFSA-N -1 0 331.393 3.138 20 30 EGEDRM COc1ccc2oc(C)c(C(=O)[N-]S(=O)(=O)c3ccccc3)c2c1 ZINC000048407001 1291603057 /nfs/dbraw/zinc/60/30/57/1291603057.db2.gz WBWCZWYZEAQGMQ-UHFFFAOYSA-N -1 0 345.376 3.443 20 30 EGEDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)[C@H](C)Oc1cccc(F)c1 ZINC000048425932 1291604754 /nfs/dbraw/zinc/60/47/54/1291604754.db2.gz PIEKVTUZAYVYQD-LBPRGKRZSA-N -1 0 337.372 3.247 20 30 EGEDRM O=C([N-]S(=O)(=O)c1cccs1)c1cccc(OC(F)F)c1 ZINC000048427057 1291604909 /nfs/dbraw/zinc/60/49/09/1291604909.db2.gz SXJNOCKNWCODTG-UHFFFAOYSA-N -1 0 333.337 3.043 20 30 EGEDRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)CCCC1CCCCC1 ZINC000048533598 1291609835 /nfs/dbraw/zinc/60/98/35/1291609835.db2.gz UBXKDCMHAQQCHY-UHFFFAOYSA-N -1 0 341.477 3.433 20 30 EGEDRM COc1cccc(C(=O)[N-]S(=O)(=O)C2=Cc3ccccc3CC2)c1 ZINC000058035502 1291875048 /nfs/dbraw/zinc/87/50/48/1291875048.db2.gz DAGQPTRANLJCNX-UHFFFAOYSA-N -1 0 343.404 3.317 20 30 EGEDRM CCCc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)OCC2CC2)cc1 ZINC000064666963 1292062063 /nfs/dbraw/zinc/06/20/63/1292062063.db2.gz JXRZYTQLUUMGKR-GFCCVEGCSA-N -1 0 325.430 3.099 20 30 EGEDRM Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C/c1csc([N+](=O)[O-])c1)CC2 ZINC000066407791 1292115675 /nfs/dbraw/zinc/11/56/75/1292115675.db2.gz UBOJIHBTSHDGEZ-RUDMXATFSA-N -1 0 333.321 3.468 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)OCCC(C)C)c(C)c1 ZINC000069282748 1292237986 /nfs/dbraw/zinc/23/79/86/1292237986.db2.gz UYYAUFQUZMINLD-AWEZNQCLSA-N -1 0 327.446 3.400 20 30 EGEDRM CC(C)[C@@H](C)C(=O)[N-]S(=O)(=O)c1sccc1Br ZINC000073288916 1292313467 /nfs/dbraw/zinc/31/34/67/1292313467.db2.gz CVHGGMOWQPLHIX-SSDOTTSWSA-N -1 0 340.264 3.448 20 30 EGEDRM C[C@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000076761513 1292441500 /nfs/dbraw/zinc/44/15/00/1292441500.db2.gz APCHAUPKFDJUNE-WCQYABFASA-N -1 0 340.401 3.207 20 30 EGEDRM CCn1nc(C)c(C([O-])=C(C#N)c2nc3ccccc3o2)c1Cl ZINC000076843137 1292445248 /nfs/dbraw/zinc/44/52/48/1292445248.db2.gz WTVCRVCJCUWYAQ-SNVBAGLBSA-N -1 0 328.759 3.496 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)CC2CCC2)c(C(F)(F)F)c1 ZINC000076877096 1292447913 /nfs/dbraw/zinc/44/79/13/1292447913.db2.gz CJLAQDNUFIIEIB-UHFFFAOYSA-N -1 0 346.330 3.412 20 30 EGEDRM COc1cccc(S(=O)(=O)[N-]C(=O)C2(c3ccccc3F)CC2)c1 ZINC000077867766 1292488813 /nfs/dbraw/zinc/48/88/13/1292488813.db2.gz YPKVUSJUFOGSFI-UHFFFAOYSA-N -1 0 349.383 3.211 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)CSc2ccncc2)c(C)c1 ZINC000077943229 1292490943 /nfs/dbraw/zinc/49/09/43/1292490943.db2.gz PVJFAXBQKZWSGZ-UHFFFAOYSA-N -1 0 336.438 3.136 20 30 EGEDRM C[C@@H](C(=O)[N-]S(=O)(=O)N1CCCCC1)c1ccc(Cl)s1 ZINC000079148843 1292544089 /nfs/dbraw/zinc/54/40/89/1292544089.db2.gz IXCQNSBBAPCLLX-SECBINFHSA-N -1 0 336.866 3.192 20 30 EGEDRM Cc1cc(C)c(C(=O)[N-]S(=O)(=O)CCSc2ccccc2)o1 ZINC000079168741 1292545899 /nfs/dbraw/zinc/54/58/99/1292545899.db2.gz IJVMNDCSXUTFII-UHFFFAOYSA-N -1 0 339.438 3.323 20 30 EGEDRM C[C@@H](CC(=O)[N-]S(=O)(=O)c1ccccc1)C(=O)c1cccc(F)c1 ZINC000080250158 1292592189 /nfs/dbraw/zinc/59/21/89/1292592189.db2.gz HUTFFWKVFPDKGZ-LBPRGKRZSA-N -1 0 349.383 3.380 20 30 EGEDRM O=C([N-]S(=O)(=O)C1CCCC1)c1occc1COc1ccccc1 ZINC000086054999 1292727805 /nfs/dbraw/zinc/72/78/05/1292727805.db2.gz IZBYREQBOZZPQE-UHFFFAOYSA-N -1 0 349.408 3.436 20 30 EGEDRM Cc1ccc(F)cc1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000091125583 1292821032 /nfs/dbraw/zinc/82/10/32/1292821032.db2.gz YQADUCJFLQUNIZ-UHFFFAOYSA-N -1 0 349.383 3.153 20 30 EGEDRM CCC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000091125566 1292821529 /nfs/dbraw/zinc/82/15/29/1292821529.db2.gz IYRWLIVHOMBBAH-GFCCVEGCSA-N -1 0 325.430 3.483 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2cn(C)nc2C(C)(C)C)c(C)c1 ZINC000092313693 1292862244 /nfs/dbraw/zinc/86/22/44/1292862244.db2.gz HHPRXZKCRCYUJW-UHFFFAOYSA-N -1 0 349.456 3.028 20 30 EGEDRM CC(C)CC(CC(C)C)C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000835032204 1293191256 /nfs/dbraw/zinc/19/12/56/1293191256.db2.gz SXNIGGGZHNPNFB-UHFFFAOYSA-N -1 0 336.457 3.072 20 30 EGEDRM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)cnc1Cl ZINC000117227637 1293218204 /nfs/dbraw/zinc/21/82/04/1293218204.db2.gz OEVDEYVSPOKOOJ-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM C#CCCCOC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000119276276 1293263038 /nfs/dbraw/zinc/26/30/38/1293263038.db2.gz OZJMWFPCDNDGKK-UHFFFAOYSA-N -1 0 349.433 3.119 20 30 EGEDRM CC(C)COc1cccc(C([O-])=C(C#N)C(=O)NC2CCCC2)c1 ZINC000119758202 1293287077 /nfs/dbraw/zinc/28/70/77/1293287077.db2.gz LLVYEPAXELNAEJ-KRWDZBQOSA-N -1 0 328.412 3.103 20 30 EGEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1ccc(SC(F)F)cc1 ZINC000119808782 1293289978 /nfs/dbraw/zinc/28/99/78/1293289978.db2.gz HDOWMWRWTCZJJY-CYBMUJFWSA-N -1 0 338.379 3.383 20 30 EGEDRM CC(C)(C)c1ncc(C([O-])=C(C#N)C(=O)NCc2ccccc2)s1 ZINC000119898781 1293293444 /nfs/dbraw/zinc/29/34/44/1293293444.db2.gz WDTLTFPRDPFFCD-ZDUSSCGKSA-N -1 0 341.436 3.079 20 30 EGEDRM Cc1nc(-c2cccs2)sc1C([O-])=C(C#N)C(=O)N1CCCC1 ZINC000124581585 1293479796 /nfs/dbraw/zinc/47/97/96/1293479796.db2.gz POCPRIVSOIYZEK-NSHDSACASA-N -1 0 345.449 3.125 20 30 EGEDRM N#C[C@@H]([N-]C(=O)C(F)(F)C1(O)CCC1)c1ccc(Cl)c(Cl)c1 ZINC000131023121 1293677256 /nfs/dbraw/zinc/67/72/56/1293677256.db2.gz OLBZDDJKZCEVPY-LLVKDONJSA-N -1 0 349.164 3.225 20 30 EGEDRM C[C@@H](C#N)Oc1ccc(/C=C/C(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000136507445 1293816714 /nfs/dbraw/zinc/81/67/14/1293816714.db2.gz BCJBEJOBUNYKGM-GXWOQWCDSA-N -1 0 338.319 3.487 20 30 EGEDRM Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000152980468 1293993904 /nfs/dbraw/zinc/99/39/04/1293993904.db2.gz PSEQOOGDQNMUBW-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM COCCOc1cccc(/C=C/C(=O)c2ccc(OC)cc2[O-])c1 ZINC000156617204 1294151138 /nfs/dbraw/zinc/15/11/38/1294151138.db2.gz FHTMCOYNTFZVCR-RMKNXTFCSA-N -1 0 328.364 3.322 20 30 EGEDRM Cc1ccccc1-c1nc(C([O-])=C(C#N)C(=O)N2CCCC2)cs1 ZINC000171363684 1294403992 /nfs/dbraw/zinc/40/39/92/1294403992.db2.gz VDAYXHBDNOPYHZ-CQSZACIVSA-N -1 0 339.420 3.063 20 30 EGEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1ccc(-c2ccccc2)[nH]1 ZINC000171796914 1294417437 /nfs/dbraw/zinc/41/74/37/1294417437.db2.gz YUJGSIWUEQCCOO-MRXNPFEDSA-N -1 0 335.407 3.453 20 30 EGEDRM CCOc1cn(-c2ccccc2)nc1C(=O)Nc1cc(C#N)ccc1[O-] ZINC000176393125 1294603607 /nfs/dbraw/zinc/60/36/07/1294603607.db2.gz OWPGWARGDNBVNM-UHFFFAOYSA-N -1 0 348.362 3.101 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)CSc2nc3ccccc3o2)c1 ZINC000176396632 1294604247 /nfs/dbraw/zinc/60/42/47/1294604247.db2.gz ZJIKZEHEJDYRKO-UHFFFAOYSA-N -1 0 325.349 3.136 20 30 EGEDRM C=CCOC(=O)c1sc2[n-]c(-c3nc(C)cs3)nc(=O)c2c1C ZINC000183641823 1295134650 /nfs/dbraw/zinc/13/46/50/1295134650.db2.gz RHEPDBSENMCSTH-UHFFFAOYSA-N -1 0 347.421 3.068 20 30 EGEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2sc(C)cc2C)cc1 ZINC000870157671 1295708958 /nfs/dbraw/zinc/70/89/58/1295708958.db2.gz JXNWTGFBCYHSLW-HNNXBMFYSA-N -1 0 342.420 3.012 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cc(C2CC2)n(C(C)(C)C)n1 ZINC000193382717 1295860188 /nfs/dbraw/zinc/86/01/88/1295860188.db2.gz IJAAUCXCKPATQX-AWEZNQCLSA-N -1 0 344.459 3.144 20 30 EGEDRM COc1cccc(/C=C\C(=O)c2ccc(OC)c(CC(=O)[O-])c2)c1 ZINC000207707265 1296097007 /nfs/dbraw/zinc/09/70/07/1296097007.db2.gz KQGBOAWGIRUEOB-VURMDHGXSA-N -1 0 326.348 3.227 20 30 EGEDRM COc1cc(/C=C\C(=O)c2cccc(O)c2)c([N+](=O)[O-])cc1OC ZINC000213697434 1296110224 /nfs/dbraw/zinc/11/02/24/1296110224.db2.gz LQLHCDZUUVAQES-SREVYHEPSA-N -1 0 329.308 3.214 20 30 EGEDRM COC(=O)[C@@H](C)Oc1ccc(/C=C\C(=O)c2ccccc2[O-])cc1 ZINC000255035673 1296491191 /nfs/dbraw/zinc/49/11/91/1296491191.db2.gz VRPWQNIRGFHDBE-KIWPFMIBSA-N -1 0 326.348 3.229 20 30 EGEDRM CCCNC(=O)c1cccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000255267264 1296512000 /nfs/dbraw/zinc/51/20/00/1296512000.db2.gz FPEUKRCGWKVVFC-UHFFFAOYSA-N -1 0 327.340 3.191 20 30 EGEDRM Cc1c(C(=O)/C=C\c2ccc([N+](=O)[O-])c([O-])c2)cccc1[N+](=O)[O-] ZINC000255518791 1296541532 /nfs/dbraw/zinc/54/15/32/1296541532.db2.gz JNNRILWPSWHCLE-VURMDHGXSA-N -1 0 328.280 3.413 20 30 EGEDRM C=CCC[C@H](NC(=O)CCc1ccc(OC(F)(F)F)cc1)C(=O)[O-] ZINC000262896010 1296652447 /nfs/dbraw/zinc/65/24/47/1296652447.db2.gz LVSKHQCIFWRUNO-ZDUSSCGKSA-N -1 0 345.317 3.053 20 30 EGEDRM C[C@@H](CC(=O)[O-])CC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000872846901 1297138928 /nfs/dbraw/zinc/13/89/28/1297138928.db2.gz JYIFDCINQLVCSW-GFCCVEGCSA-N -1 0 342.420 3.404 20 30 EGEDRM COc1ccc(O)c(C(=O)/C=C\c2ccc3c(c2)CCC(=O)N3C)c1 ZINC000588508673 1298074812 /nfs/dbraw/zinc/07/48/12/1298074812.db2.gz DLZAAVORZFJFRF-YWEYNIOJSA-N -1 0 337.375 3.206 20 30 EGEDRM COc1ccc(C(=O)/C=C\c2ccc(C#N)s2)cc1CC(=O)[O-] ZINC000606443105 1298096507 /nfs/dbraw/zinc/09/65/07/1298096507.db2.gz WLVJXDAOEBGVKV-WAYWQWQTSA-N -1 0 327.361 3.152 20 30 EGEDRM C[C@@H](CCc1ccc2c(c1)OCO2)/N=C/c1cc([N+](=O)[O-])ccc1[O-] ZINC000745624100 1298436654 /nfs/dbraw/zinc/43/66/54/1298436654.db2.gz FMTZSYRTSFUWQY-NJDFMEINSA-N -1 0 342.351 3.469 20 30 EGEDRM O=C([O-])CCOc1cccc(/C=C2/COc3c(F)cccc3C2=O)c1 ZINC000746684348 1298639077 /nfs/dbraw/zinc/63/90/77/1298639077.db2.gz NMNAFTJFUALJOA-LCYFTJDESA-N -1 0 342.322 3.338 20 30 EGEDRM COc1cc(/C=C2\Cc3c(c(F)ccc3F)C2=O)cc([N+](=O)[O-])c1[O-] ZINC000749582925 1299239375 /nfs/dbraw/zinc/23/93/75/1299239375.db2.gz SQCCASSASPACAJ-RUDMXATFSA-N -1 0 347.273 3.410 20 30 EGEDRM O=C(/C=C\c1cccc(-n2cccn2)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000749592210 1299241382 /nfs/dbraw/zinc/24/13/82/1299241382.db2.gz ZAYAOQNJJIKJGG-ALCCZGGFSA-N -1 0 335.319 3.382 20 30 EGEDRM CC(=NNc1cc([N+](=O)[O-])ccc1C)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000749608480 1299246068 /nfs/dbraw/zinc/24/60/68/1299246068.db2.gz NOXWZMXZMJJTJY-UHFFFAOYSA-N -1 0 330.300 3.353 20 30 EGEDRM Cc1c(C(=O)/C=C\c2cc(F)c([O-])c(F)c2)nnn1-c1ccccc1 ZINC000749891490 1299293910 /nfs/dbraw/zinc/29/39/10/1299293910.db2.gz LPOUJCYLWUVLOT-FPLPWBNLSA-N -1 0 341.317 3.456 20 30 EGEDRM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1ccc(C#N)s1 ZINC000750684095 1299440071 /nfs/dbraw/zinc/44/00/71/1299440071.db2.gz MDOPJCCHSFNTRR-JTQLQIEISA-N -1 0 329.768 3.234 20 30 EGEDRM Cc1ccc(F)c2c1NC(=O)C2=N[N-]c1oc(C(C)(C)C)nc1C#N ZINC000750936870 1299481697 /nfs/dbraw/zinc/48/16/97/1299481697.db2.gz JKLRZOIHMDSEDW-UHFFFAOYSA-N -1 0 341.346 3.060 20 30 EGEDRM O=C([O-])c1ccccc1NN=C1C(=O)Nc2ccc(C(F)(F)F)cc21 ZINC000754260679 1300112299 /nfs/dbraw/zinc/11/22/99/1300112299.db2.gz WFYDHLUPZXIDET-UHFFFAOYSA-N -1 0 349.268 3.172 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)C2(CC(C)C)CCC2)n1 ZINC000757144658 1300653701 /nfs/dbraw/zinc/65/37/01/1300653701.db2.gz VWRFVQIPHSIQPA-CYBMUJFWSA-N -1 0 334.441 3.387 20 30 EGEDRM Cc1ccc(/C=C/C(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1[N+](=O)[O-] ZINC000759089926 1301013207 /nfs/dbraw/zinc/01/32/07/1301013207.db2.gz ILXJKEJMPFWWIJ-GQCTYLIASA-N -1 0 328.280 3.413 20 30 EGEDRM O=C([O-])Cc1ccc(C(=O)/C=C/c2cccc(-n3cccn3)c2)cc1 ZINC000760264195 1301241596 /nfs/dbraw/zinc/24/15/96/1301241596.db2.gz QRSCSBLKZCMZDI-JXMROGBWSA-N -1 0 332.359 3.396 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cccc([C@@H]2CCOC2)c1 ZINC000762025736 1301594412 /nfs/dbraw/zinc/59/44/12/1301594412.db2.gz VIVDCUYCZDGDGS-MSOLQXFVSA-N -1 0 342.439 3.209 20 30 EGEDRM COc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000766569922 1302478923 /nfs/dbraw/zinc/47/89/23/1302478923.db2.gz HYQQCHZMIUERBL-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM C[C@H](Oc1cccc(C=NNc2ccc(F)c([N+](=O)[O-])c2)c1)C(=O)[O-] ZINC000769829517 1303182462 /nfs/dbraw/zinc/18/24/62/1303182462.db2.gz RWBXLPUPJLOXQH-JTQLQIEISA-N -1 0 347.302 3.032 20 30 EGEDRM C[C@@H](C(=O)C(C#N)=C([O-])c1nccn1C)c1ccccc1C(F)(F)F ZINC000770871513 1303323942 /nfs/dbraw/zinc/32/39/42/1303323942.db2.gz NIKGLZICNOWYLB-PWSUYJOCSA-N -1 0 349.312 3.134 20 30 EGEDRM CC[C@@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1 ZINC000771079352 1303357534 /nfs/dbraw/zinc/35/75/34/1303357534.db2.gz SDZZMCUABAOQHQ-HNNXBMFYSA-N -1 0 340.489 3.123 20 30 EGEDRM COc1cc(C=NN[C@@H]2CCCCC2(C)C)ccc1OCCC(=O)[O-] ZINC000773125690 1303629587 /nfs/dbraw/zinc/62/95/87/1303629587.db2.gz PYTMGLJCEPTSJJ-QGZVFWFLSA-N -1 0 348.443 3.441 20 30 EGEDRM O=C([O-])CCOc1cccc(/C=C2/Oc3cc(F)ccc3C2=O)c1 ZINC000773171054 1303637117 /nfs/dbraw/zinc/63/71/17/1303637117.db2.gz GRNOJAOMMGOYPQ-CXUHLZMHSA-N -1 0 328.295 3.295 20 30 EGEDRM Cc1nc(-c2ccccc2C)sc1C([O-])=C(C#N)C(=O)NC(C)C ZINC000773976036 1303759135 /nfs/dbraw/zinc/75/91/35/1303759135.db2.gz HVFUCTSDEOBQKB-AWEZNQCLSA-N -1 0 341.436 3.274 20 30 EGEDRM C=CCCC[C@H](C)[N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000775748035 1304028150 /nfs/dbraw/zinc/02/81/50/1304028150.db2.gz VFZMCZIPXXETGO-ZETCQYMHSA-N -1 0 343.317 3.405 20 30 EGEDRM O=c1c2ccccc2[n-]c(=S)n1N=Cc1cc(F)cc(Cl)c1 ZINC000776724853 1304188334 /nfs/dbraw/zinc/18/83/34/1304188334.db2.gz VACSUVPMEPEHGS-UHFFFAOYSA-N -1 0 333.775 3.360 20 30 EGEDRM O=C(/C=C/c1cccc(Br)n1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000777921390 1304366530 /nfs/dbraw/zinc/36/65/30/1304366530.db2.gz VVSWUGBGLGTBGO-GQCTYLIASA-N -1 0 349.140 3.354 20 30 EGEDRM C=CCS(=O)(=O)[N-]C(=O)C1(c2ccc(Cl)cc2)CCCCC1 ZINC000779233874 1304544918 /nfs/dbraw/zinc/54/49/18/1304544918.db2.gz IRYAMRLVOKODJD-UHFFFAOYSA-N -1 0 341.860 3.174 20 30 EGEDRM CC1(C)CCCC[C@@H]1CC(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC000779315294 1304555269 /nfs/dbraw/zinc/55/52/69/1304555269.db2.gz RNKJZVDJEAEEJR-CQSZACIVSA-N -1 0 340.489 3.123 20 30 EGEDRM CCCC(=CC(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1)CCC ZINC000779315504 1304555329 /nfs/dbraw/zinc/55/53/29/1304555329.db2.gz YDKYUCWMWLPCSL-UHFFFAOYSA-N -1 0 326.462 3.043 20 30 EGEDRM COc1ccc(C(=O)/C=C\c2ccc(O)c(C(=O)[O-])c2)c(OC)c1 ZINC000779358115 1304560785 /nfs/dbraw/zinc/56/07/85/1304560785.db2.gz MUVHEZTXFNCALP-CLTKARDFSA-N -1 0 328.320 3.004 20 30 EGEDRM C[C@H](C#N)Oc1ccccc1NC(=O)C[C@H](C(=O)[O-])c1ccccc1 ZINC000779703679 1304594028 /nfs/dbraw/zinc/59/40/28/1304594028.db2.gz KEPDFQULVLFPKH-HIFRSBDPSA-N -1 0 338.363 3.174 20 30 EGEDRM C#CC[C@H](NC(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-])c1ccccc1 ZINC000780697765 1304726316 /nfs/dbraw/zinc/72/63/16/1304726316.db2.gz QRUDIGCWTADZJB-RBUKOAKNSA-N -1 0 348.402 3.145 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(OC2CCCC2)nc1 ZINC000781763955 1304870761 /nfs/dbraw/zinc/87/07/61/1304870761.db2.gz ADDSXLVYBNSLBX-MRXNPFEDSA-N -1 0 343.427 3.032 20 30 EGEDRM O=C([O-])c1cc(NN=Cc2ccc([N+](=O)[O-])s2)ccc1Cl ZINC000782219923 1304933741 /nfs/dbraw/zinc/93/37/41/1304933741.db2.gz UQCBWCDBJNSRKX-UHFFFAOYSA-N -1 0 325.733 3.454 20 30 EGEDRM CC(=O)c1ccc(F)cc1[N-]S(=O)(=O)c1cccc(C)c1C#N ZINC000783872454 1305155104 /nfs/dbraw/zinc/15/51/04/1305155104.db2.gz FJQVGUGTJGRPSF-UHFFFAOYSA-N -1 0 332.356 3.009 20 30 EGEDRM N#Cc1ccc(NN=Cc2ccccc2OCC(=O)[O-])cc1Cl ZINC000783881165 1305157325 /nfs/dbraw/zinc/15/73/25/1305157325.db2.gz SCGVXISDLMBMOL-UHFFFAOYSA-N -1 0 329.743 3.121 20 30 EGEDRM Cc1ccc(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)s1 ZINC000786535701 1305593075 /nfs/dbraw/zinc/59/30/75/1305593075.db2.gz TXOGGMHOEQSJSA-CYBMUJFWSA-N -1 0 332.812 3.349 20 30 EGEDRM Cc1cscc1C([O-])=C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786540747 1305593988 /nfs/dbraw/zinc/59/39/88/1305593988.db2.gz YNMVQNBQVLIBEY-ZDUSSCGKSA-N -1 0 332.812 3.349 20 30 EGEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2cc3ccsc3[nH]2)c1 ZINC000786551791 1305596783 /nfs/dbraw/zinc/59/67/83/1305596783.db2.gz HBXGUDITKGOXSQ-AWEZNQCLSA-N -1 0 337.404 3.177 20 30 EGEDRM C=CC(C)(C)CC(=O)[N-]S(=O)(=O)Cc1cc(F)ccc1Cl ZINC000893167187 1305741531 /nfs/dbraw/zinc/74/15/31/1305741531.db2.gz JKMJEVWEFHHUEB-UHFFFAOYSA-N -1 0 333.812 3.027 20 30 EGEDRM O=C([O-])[C@@H]1CCC(=NNc2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000788950033 1306047856 /nfs/dbraw/zinc/04/78/56/1306047856.db2.gz CIFONYNKJFBZQR-OAHLLOKOSA-N -1 0 325.324 3.373 20 30 EGEDRM CC=C(CC)C(=O)C(C#N)=C([O-])c1c(C)[nH]c(C)c1C(=O)OCC ZINC000789350323 1306144380 /nfs/dbraw/zinc/14/43/80/1306144380.db2.gz FJOJIFLAHQGVJR-XEVNVYFWSA-N -1 0 330.384 3.056 20 30 EGEDRM C=CCc1cccc(C(C)C)c1NC(=O)C(=O)[N-]OC1CCCC1 ZINC000789579094 1306186941 /nfs/dbraw/zinc/18/69/41/1306186941.db2.gz FOFXQWAUUJQQAU-UHFFFAOYSA-N -1 0 330.428 3.467 20 30 EGEDRM CC[C@@H](NN=C1CCCc2nc(-c3ccccc3)sc21)C(=O)[O-] ZINC000793071473 1309290844 /nfs/dbraw/zinc/29/08/44/1309290844.db2.gz JNJVHHQEVDTOLG-GFCCVEGCSA-N -1 0 329.425 3.303 20 30 EGEDRM COc1cc(Cl)ccc1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000794595828 1309549431 /nfs/dbraw/zinc/54/94/31/1309549431.db2.gz KPRHNGMUZVNMOZ-UHFFFAOYSA-N -1 0 336.800 3.215 20 30 EGEDRM COc1cc(OC)c(/C=C\C(=O)c2cc(F)ccc2[O-])c(OC)c1 ZINC000794703179 1309577494 /nfs/dbraw/zinc/57/74/94/1309577494.db2.gz SWQAIFQXBGECQS-ALCCZGGFSA-N -1 0 332.327 3.453 20 30 EGEDRM COc1ccc(C=Nn2c(=O)c3ccccc3[n-]c2=S)c(Cl)c1 ZINC000794773529 1309591476 /nfs/dbraw/zinc/59/14/76/1309591476.db2.gz KDCAMAUZLRTPSL-UHFFFAOYSA-N -1 0 345.811 3.229 20 30 EGEDRM CC(C)n1nccc1/C=C/C(=O)c1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000794935398 1309626101 /nfs/dbraw/zinc/62/61/01/1309626101.db2.gz QRJYBHJHBXSTLY-GWJCSSMESA-N -1 0 328.368 3.212 20 30 EGEDRM CC[C@H](C)[C@H](OC)C(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21 ZINC000796629918 1310049700 /nfs/dbraw/zinc/04/97/00/1310049700.db2.gz RTDMXDJXHAYKFL-KLRAXDNASA-N -1 0 326.396 3.429 20 30 EGEDRM CCCCCCCCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000797251588 1310163896 /nfs/dbraw/zinc/16/38/96/1310163896.db2.gz QYKPLRYUAKMHPE-UHFFFAOYSA-N -1 0 339.457 3.177 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)N[C@@H](C)c1ccccc1C(F)(F)F ZINC000797727944 1310238170 /nfs/dbraw/zinc/23/81/70/1310238170.db2.gz VDSFYDVOCWIOAE-JTQLQIEISA-N -1 0 330.306 3.049 20 30 EGEDRM CC(=NNCC(C)(C)CO)c1cc(Br)cc(Cl)c1[O-] ZINC000799115672 1310488756 /nfs/dbraw/zinc/48/87/56/1310488756.db2.gz KQJRBUMXOOIQBO-UHFFFAOYSA-N -1 0 349.656 3.140 20 30 EGEDRM C[C@@H](Oc1cccc(C(=O)/C=C\c2cn(C)nc2C2CC2)c1)C(=O)[O-] ZINC000899350253 1316998029 /nfs/dbraw/zinc/99/80/29/1316998029.db2.gz BGTWOJQHJNMHNA-JLVNDZCYSA-N -1 0 340.379 3.046 20 30 EGEDRM CCn1nc(C)c(C(=O)/C=C\c2ccccc2OCCC(=O)[O-])c1C ZINC000901463938 1317430147 /nfs/dbraw/zinc/43/01/47/1317430147.db2.gz CNOKGOPVLPEDTB-KTKRTIGZSA-N -1 0 342.395 3.269 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(OC)c(OC)c1C ZINC000805852078 1317431819 /nfs/dbraw/zinc/43/18/19/1317431819.db2.gz SYCSALHZXRZASP-HNNXBMFYSA-N -1 0 346.427 3.031 20 30 EGEDRM COCCOc1ccc(/C=C2\CCc3occ(C(=O)[O-])c3C2=O)cc1 ZINC000901515673 1317437538 /nfs/dbraw/zinc/43/75/38/1317437538.db2.gz OVWVPOLOMHRNML-JLHYYAGUSA-N -1 0 342.347 3.216 20 30 EGEDRM CCOC(=O)c1ccc(/C=C2/C[C@H](C(=O)[O-])c3ccccc3C2=O)o1 ZINC000806563226 1317502418 /nfs/dbraw/zinc/50/24/18/1317502418.db2.gz UCKRXYVVIJHYGG-KLQCNHIUSA-N -1 0 340.331 3.295 20 30 EGEDRM Cc1ccccc1-n1cc(/C=C\C(=O)c2ccc(CC(=O)[O-])cc2)nn1 ZINC000806571834 1317503359 /nfs/dbraw/zinc/50/33/59/1317503359.db2.gz OMDYRQDVORXWJA-KHPPLWFESA-N -1 0 347.374 3.099 20 30 EGEDRM CC(=NNc1nccnc1C1CCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000807993618 1317608820 /nfs/dbraw/zinc/60/88/20/1317608820.db2.gz BIRIIFDCWQJLOC-UHFFFAOYSA-N -1 0 327.344 3.194 20 30 EGEDRM C=CCOc1ccc(/C=C/C(=O)NC(CC)(CC)C(=O)[O-])cc1OC ZINC000808519994 1317691011 /nfs/dbraw/zinc/69/10/11/1317691011.db2.gz JLBXWUBKAWXTHJ-PKNBQFBNSA-N -1 0 347.411 3.033 20 30 EGEDRM Cc1c(C(=O)/C=C\c2ccc(O)c(C(=O)[O-])c2)cnn1-c1ccccc1 ZINC000809155050 1317775965 /nfs/dbraw/zinc/77/59/65/1317775965.db2.gz NGGLVNPEWSPCET-NTMALXAHSA-N -1 0 348.358 3.481 20 30 EGEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1ccc(C2CCCC2)cc1 ZINC000810527367 1318017698 /nfs/dbraw/zinc/01/76/98/1318017698.db2.gz KUDUMOWMDQTASM-SFHVURJKSA-N -1 0 342.439 3.209 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)/C(C)=C\c2cccc(Cl)c2)CC1 ZINC000810980421 1318085727 /nfs/dbraw/zinc/08/57/27/1318085727.db2.gz XBMGNBMJNBUPCB-BENRWUELSA-N -1 0 339.844 3.298 20 30 EGEDRM Cc1c(Cl)nccc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000811835735 1318275434 /nfs/dbraw/zinc/27/54/34/1318275434.db2.gz MFILAXINROBIEL-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM C#CCO[N-]C(=O)[C@H](Sc1cc(F)ccc1F)c1ccccc1 ZINC000812784741 1318453706 /nfs/dbraw/zinc/45/37/06/1318453706.db2.gz GIFUOZCAHKAJRS-MRXNPFEDSA-N -1 0 333.359 3.479 20 30 EGEDRM C#CCCCCC(=O)Nc1cccc(-n2ncc(C(=O)[O-])c2C)c1 ZINC000909639002 1318509305 /nfs/dbraw/zinc/50/93/05/1318509305.db2.gz AKPBVHMWJGKKPP-UHFFFAOYSA-N -1 0 325.368 3.011 20 30 EGEDRM C=C1CCC(C(=O)Nc2ccc(C(=O)[O-])cc2OCCOC)CC1 ZINC000910695600 1318660198 /nfs/dbraw/zinc/66/01/98/1318660198.db2.gz UHORXWAYXRMNEY-UHFFFAOYSA-N -1 0 333.384 3.095 20 30 EGEDRM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C(C)(C)CCC(=O)[O-] ZINC000911746286 1318764651 /nfs/dbraw/zinc/76/46/51/1318764651.db2.gz HCFJVSLNHTZPFW-UHFFFAOYSA-N -1 0 335.448 3.260 20 30 EGEDRM Cc1ccc(C)c(NC(=S)NN=C2CC[C@@H](C(=O)[O-])C[C@H]2C)c1 ZINC000814706879 1318801586 /nfs/dbraw/zinc/80/15/86/1318801586.db2.gz GPEBXXJANBKRPB-CHWSQXEVSA-N -1 0 333.457 3.467 20 30 EGEDRM O=C([O-])c1cccc(C=NNC(=S)Nc2ccccc2)c1Cl ZINC000814714112 1318803003 /nfs/dbraw/zinc/80/30/03/1318803003.db2.gz RUTGERXQKHRUMV-UHFFFAOYSA-N -1 0 333.800 3.359 20 30 EGEDRM Cc1ccc(NC(=S)NN=C2CC[C@H](C(=O)[O-])C[C@@H]2C)cc1C ZINC000814713617 1318803585 /nfs/dbraw/zinc/80/35/85/1318803585.db2.gz SCJRSIHXHXNFGH-STQMWFEESA-N -1 0 333.457 3.467 20 30 EGEDRM C[C@@H]1C[C@H](C(=O)[O-])CCC1=NNC(=S)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000814758504 1318810316 /nfs/dbraw/zinc/81/03/16/1318810316.db2.gz BOMKMDYRVDFFHP-KMCWBVRRSA-N -1 0 339.505 3.152 20 30 EGEDRM CCC(N=Nc1cnccn1)c1ccc(OCCCCC(=O)[O-])cc1 ZINC000814797419 1318820591 /nfs/dbraw/zinc/82/05/91/1318820591.db2.gz NRKZEYXQLLFGSE-UHFFFAOYSA-N -1 0 342.399 3.337 20 30 EGEDRM Cc1ccc(F)c(NC(=S)NN=C2CC[C@H](C(=O)[O-])[C@@H](C)C2)c1 ZINC000814820048 1318824629 /nfs/dbraw/zinc/82/46/29/1318824629.db2.gz RKQJJJAUNLFELW-JQWIXIFHSA-N -1 0 337.420 3.297 20 30 EGEDRM O=C([O-])CNN=Cc1ccc(-c2ccc(Br)cc2)s1 ZINC000814958945 1318860125 /nfs/dbraw/zinc/86/01/25/1318860125.db2.gz BJWVCJVWSUCMKO-UHFFFAOYSA-N -1 0 339.214 3.186 20 30 EGEDRM N#C[C@H]([N-]C(=O)[C@@H](F)C(F)(F)F)c1ccc(OC(F)(F)F)cc1 ZINC000815538069 1319012111 /nfs/dbraw/zinc/01/21/11/1319012111.db2.gz SMBYIDRYIMBVKK-DTWKUNHWSA-N -1 0 344.186 3.166 20 30 EGEDRM C[C@H](Cc1cnc2ccccc2n1)C(=O)Nc1cc(C#N)ccc1[O-] ZINC000815877924 1319067052 /nfs/dbraw/zinc/06/70/52/1319067052.db2.gz LXZABJAJSSYCDF-GFCCVEGCSA-N -1 0 332.363 3.024 20 30 EGEDRM CCc1nc(C)c(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)o1 ZINC000815908888 1319073221 /nfs/dbraw/zinc/07/32/21/1319073221.db2.gz MBSILLOKQXXFLQ-SNVBAGLBSA-N -1 0 349.749 3.299 20 30 EGEDRM C=CCC(C)(C)CNC(=O)c1ccc2c(c1)[n-]c(=S)n(CC)c2=O ZINC000817457801 1319367301 /nfs/dbraw/zinc/36/73/01/1319367301.db2.gz XTDQMQRSSPNCSY-UHFFFAOYSA-N -1 0 345.468 3.037 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])c(C=NNc2ncccc2C(F)(F)F)c1 ZINC000915050215 1319414596 /nfs/dbraw/zinc/41/45/96/1319414596.db2.gz GTVHRCYXEDUKAJ-UHFFFAOYSA-N -1 0 326.234 3.160 20 30 EGEDRM O=C(C/N=C\c1cc(Cl)cc(Cl)c1[O-])NCc1ccccc1 ZINC000915114044 1319423808 /nfs/dbraw/zinc/42/38/08/1319423808.db2.gz ADONYHCFKZHTDO-OCKHKDLRSA-N -1 0 337.206 3.434 20 30 EGEDRM O=C([O-])Cc1ccc(C(=O)/C=C\c2cnn(Cc3ccccc3)c2)cc1 ZINC000915988213 1319578803 /nfs/dbraw/zinc/57/88/03/1319578803.db2.gz SHOIRVRWLVKRGR-FLIBITNWSA-N -1 0 346.386 3.455 20 30 EGEDRM O=[N+]([O-])c1cc(Cl)cc(C=NNc2ncnc3sccc32)c1[O-] ZINC000916368509 1319645778 /nfs/dbraw/zinc/64/57/78/1319645778.db2.gz RZUULBXUECLAKW-UHFFFAOYSA-N -1 0 349.759 3.405 20 30 EGEDRM CSCc1c2ccccc2oc1C([O-])=C(C#N)C(=O)N1CCCC1 ZINC000916866730 1319717629 /nfs/dbraw/zinc/71/76/29/1319717629.db2.gz DFFUHRBZKAEVCS-ZDUSSCGKSA-N -1 0 342.420 3.241 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1nc(-c2ccccc2)oc1C ZINC000916876583 1319718507 /nfs/dbraw/zinc/71/85/07/1319718507.db2.gz BWNJSHHLVBPVMK-HNNXBMFYSA-N -1 0 339.395 3.279 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(Br)s1 ZINC000916878038 1319719116 /nfs/dbraw/zinc/71/91/16/1319719116.db2.gz ZTWOBDGKIDFZFI-VIFPVBQESA-N -1 0 343.246 3.139 20 30 EGEDRM C=CCO[N-]C(=O)CSc1nnc(-c2ccccc2)n1[C@H](C)CC ZINC000837046018 1320568714 /nfs/dbraw/zinc/56/87/14/1320568714.db2.gz DHOGFWNAGFESRT-CYBMUJFWSA-N -1 0 346.456 3.242 20 30 EGEDRM C=CCC(C)(C)CNS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000840889482 1321171476 /nfs/dbraw/zinc/17/14/76/1321171476.db2.gz IACGBESULYYPLT-UHFFFAOYSA-N -1 0 349.811 3.058 20 30 EGEDRM CC(=NN(C)C[C@@H](C)O)c1ccc(Oc2ccc(C(=O)[O-])cc2)cc1 ZINC000841652210 1321292145 /nfs/dbraw/zinc/29/21/45/1321292145.db2.gz QYVODOQPNXJECL-CYBMUJFWSA-N -1 0 342.395 3.214 20 30 EGEDRM C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cccc(COC(C)(C)CC)c1C ZINC000846154226 1321772743 /nfs/dbraw/zinc/77/27/43/1321772743.db2.gz LUGYUHDSVLKDFM-CYBMUJFWSA-N -1 0 348.443 3.261 20 30 EGEDRM C=C[C@H](C)O[N-]C(=O)Cc1sc(SC(F)(F)F)nc1C ZINC000846554092 1321792841 /nfs/dbraw/zinc/79/28/41/1321792841.db2.gz HKSKISNGZJFAQE-LURJTMIESA-N -1 0 326.365 3.228 20 30 EGEDRM C=C[C@@H](C)O[N-]C(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccc(C)cc1 ZINC000846552406 1321793206 /nfs/dbraw/zinc/79/32/06/1321793206.db2.gz GYECSXVBBVSMON-HIFRSBDPSA-N -1 0 334.416 3.183 20 30 EGEDRM N#Cc1cccc(S(=O)(=O)[N-]C(=O)CCC2CCCCCC2)c1 ZINC000847620581 1321884984 /nfs/dbraw/zinc/88/49/84/1321884984.db2.gz YTMCZUZLWWVVBR-UHFFFAOYSA-N -1 0 334.441 3.114 20 30 EGEDRM CN(C(=O)OC(C)(C)C)C(C)(C)CN=Nc1ccc(CC(=O)[O-])cc1 ZINC000848414013 1321957853 /nfs/dbraw/zinc/95/78/53/1321957853.db2.gz HKOOYXNHASWALS-UHFFFAOYSA-N -1 0 349.431 3.357 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2cc(C)c(C)s2)n1 ZINC000919236585 1322043213 /nfs/dbraw/zinc/04/32/13/1322043213.db2.gz AGFLYAZDSQKVDR-LLVKDONJSA-N -1 0 334.422 3.163 20 30 EGEDRM Cc1cccc(-c2ccc(N3C[C@@H](C(=O)[O-])CC3=O)cc2C)c1C#N ZINC000849476520 1322123734 /nfs/dbraw/zinc/12/37/34/1322123734.db2.gz SALSIDSMCXAGLR-AWEZNQCLSA-N -1 0 334.375 3.280 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)C2CCC3(CC3)CC2)n1 ZINC000850265654 1322218496 /nfs/dbraw/zinc/21/84/96/1322218496.db2.gz HEBQKFKPCMWAOK-CYBMUJFWSA-N -1 0 332.425 3.141 20 30 EGEDRM Cn1ccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)c1-c1ccccc1 ZINC000850758088 1322285384 /nfs/dbraw/zinc/28/53/84/1322285384.db2.gz YDIPRYFPPIUWPT-SFHVURJKSA-N -1 0 349.434 3.463 20 30 EGEDRM C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)Cc1cc(F)ccc1Cl ZINC000851170452 1322343787 /nfs/dbraw/zinc/34/37/87/1322343787.db2.gz VAEGZPIDUJEBAL-UHFFFAOYSA-N -1 0 333.812 3.027 20 30 EGEDRM C=CCCC(=O)O[C@@H]1C[C@@H]([N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000851176326 1322345188 /nfs/dbraw/zinc/34/51/88/1322345188.db2.gz OMEJCKSZADITFC-CHWSQXEVSA-N -1 0 327.302 3.360 20 30 EGEDRM C=CCCC(=O)O[C@H]1C[C@H]([N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000851176329 1322345580 /nfs/dbraw/zinc/34/55/80/1322345580.db2.gz OMEJCKSZADITFC-STQMWFEESA-N -1 0 327.302 3.360 20 30 EGEDRM N#CCCCC(=O)O[C@@H]1C[C@H]([N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000851179081 1322346326 /nfs/dbraw/zinc/34/63/26/1322346326.db2.gz PEEYDGQVDKREJU-QWHCGFSZSA-N -1 0 340.301 3.088 20 30 EGEDRM CC(=NN=C(C)c1cc(C(=O)[O-])ccc1OC(C)C)c1cnccn1 ZINC000853314518 1325079895 /nfs/dbraw/zinc/07/98/95/1325079895.db2.gz MRIOWBHDBKOURH-UHFFFAOYSA-N -1 0 340.383 3.195 20 30 EGEDRM COC[C@H](C)Oc1ccc(C=NNc2ccc(CC(=O)[O-])cc2)cc1 ZINC000853370838 1325085978 /nfs/dbraw/zinc/08/59/78/1325085978.db2.gz YGDPIUCWPZYZLZ-AWEZNQCLSA-N -1 0 342.395 3.173 20 30 EGEDRM CCn1cc(C(=O)C(C#N)=C([O-])c2c(C)[nH]c3ccccc32)c(C)n1 ZINC000860451972 1329319006 /nfs/dbraw/zinc/31/90/06/1329319006.db2.gz QDKVPBWSZOAOHY-CQSZACIVSA-N -1 0 334.379 3.207 20 30 EGEDRM CC(C)(CCC#N)CNC(=O)c1cc(Br)cc(F)c1[O-] ZINC000868360788 1330273800 /nfs/dbraw/zinc/27/38/00/1330273800.db2.gz YRPYSUROMPOOLW-UHFFFAOYSA-N -1 0 343.196 3.354 20 30 EGEDRM O=C(CCC(=O)C1=CC=C[CH]1)NCC1(CC2CCC2)CCOCC1 ZINC001184247547 1387419770 /nfs/dbraw/zinc/41/97/70/1387419770.db2.gz UGNXXRNVVLZBIK-UHFFFAOYSA-N -1 0 330.448 3.139 20 30 EGEDRM Cc1ccc(O)c2c1[C@H](C)CC2=NNS(=O)(=O)Cc1ccccc1 ZINC001324231083 1387562355 /nfs/dbraw/zinc/56/23/55/1387562355.db2.gz NLFIWWYECHXTRO-CYBMUJFWSA-N -1 0 344.436 3.032 20 30 EGEDRM C=CC[C@H](NC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1)C(=O)[O-] ZINC001324425381 1387619796 /nfs/dbraw/zinc/61/97/96/1387619796.db2.gz RLJGZIDFVCSEQR-SJCJKPOMSA-N -1 0 327.380 3.097 20 30 EGEDRM Cc1cccc(C#N)c1[N-]S(=O)(=O)c1ccc(-c2cnco2)cc1 ZINC001185227980 1387657180 /nfs/dbraw/zinc/65/71/80/1387657180.db2.gz YTMFDFNVZVVVFN-UHFFFAOYSA-N -1 0 339.376 3.323 20 30 EGEDRM Cc1nsc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2)c1C#N ZINC001185484660 1387728235 /nfs/dbraw/zinc/72/82/35/1387728235.db2.gz HNBXGEVAAACPSF-UHFFFAOYSA-N -1 0 327.818 3.086 20 30 EGEDRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2csc(C#N)c2)c1 ZINC001189586453 1367061886 /nfs/dbraw/zinc/06/18/86/1367061886.db2.gz AUKNTDBLLOPUQM-UHFFFAOYSA-N -1 0 328.802 3.083 20 30 EGEDRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(F)ccc2C#N)c1 ZINC001189610917 1367068159 /nfs/dbraw/zinc/06/81/59/1367068159.db2.gz QPXXCKUWUVWZRP-UHFFFAOYSA-N -1 0 340.763 3.160 20 30 EGEDRM Cc1cc(C#N)c([N-]S(=O)(=O)Cc2ccc(F)cc2F)s1 ZINC001189780215 1367107772 /nfs/dbraw/zinc/10/77/72/1367107772.db2.gz HMIIBLBCJDYILY-UHFFFAOYSA-N -1 0 328.365 3.148 20 30 EGEDRM C[C@@H]1CCC[C@@H](C[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)[C@H]1C ZINC001189794634 1367109985 /nfs/dbraw/zinc/10/99/85/1367109985.db2.gz RYRNGGJGJMBZAP-MDZLAQPJSA-N -1 0 342.411 3.187 20 30 EGEDRM Cc1cccc([N-]S(=O)(=O)c2cc(F)cc(F)c2F)c1C#N ZINC001190388770 1367248822 /nfs/dbraw/zinc/24/88/22/1367248822.db2.gz XVLMVMSEJQZGQT-UHFFFAOYSA-N -1 0 326.299 3.085 20 30 EGEDRM COc1ccc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)c(C#N)c1 ZINC001190501015 1367278163 /nfs/dbraw/zinc/27/81/63/1367278163.db2.gz UNVGQHORDHPNNY-UHFFFAOYSA-N -1 0 328.393 3.245 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2csc3ncccc23)c1 ZINC001190615786 1367310326 /nfs/dbraw/zinc/31/03/26/1367310326.db2.gz BZXZPSCIYIPOKA-UHFFFAOYSA-N -1 0 333.369 3.108 20 30 EGEDRM CCCOc1ccccc1[N-]S(=O)(=O)c1cc(C#N)ccc1F ZINC001190655287 1367318521 /nfs/dbraw/zinc/31/85/21/1367318521.db2.gz CIFXBWQSKRFAML-UHFFFAOYSA-N -1 0 334.372 3.287 20 30 EGEDRM CCC(=O)c1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2F)cc1 ZINC001190655729 1367319132 /nfs/dbraw/zinc/31/91/32/1367319132.db2.gz MLADZRKIWDSRID-UHFFFAOYSA-N -1 0 332.356 3.091 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cccc3cc(O)ccc32)c1 ZINC001190656103 1367319597 /nfs/dbraw/zinc/31/95/97/1367319597.db2.gz STTSOMXPMYYGOL-UHFFFAOYSA-N -1 0 342.351 3.357 20 30 EGEDRM Cc1ccc(C#N)c([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC001190932501 1367384252 /nfs/dbraw/zinc/38/42/52/1367384252.db2.gz XOHFTHKPUGCNSN-UHFFFAOYSA-N -1 0 331.784 3.193 20 30 EGEDRM Cc1cc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)n(C(C)C)n1 ZINC001190937444 1367386967 /nfs/dbraw/zinc/38/69/67/1367386967.db2.gz LUYTTXKMSDHERX-UHFFFAOYSA-N -1 0 338.820 3.098 20 30 EGEDRM COc1cc(C(=O)Nc2cc(C#N)c(F)cc2[O-])cc(Cl)c1O ZINC001191148346 1367433027 /nfs/dbraw/zinc/43/30/27/1367433027.db2.gz LTEUYKOBKUTGCX-UHFFFAOYSA-N -1 0 336.706 3.023 20 30 EGEDRM C#Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2Cl)cn1 ZINC001191736530 1367574874 /nfs/dbraw/zinc/57/48/74/1367574874.db2.gz RQTBXTRXJUMOKQ-UHFFFAOYSA-N -1 0 341.219 3.479 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)C(Cl)(Cl)Cl)cc1Cl ZINC001191997181 1367660497 /nfs/dbraw/zinc/66/04/97/1367660497.db2.gz NYQIMRDMNQVFQE-UHFFFAOYSA-N -1 0 334.011 3.281 20 30 EGEDRM N#Cc1ccc2c(c1)CCN(C(=O)c1cc(Cl)nc(Cl)c1[O-])C2 ZINC001193083731 1367939641 /nfs/dbraw/zinc/93/96/41/1367939641.db2.gz XPOWUBXKBKARED-UHFFFAOYSA-N -1 0 348.189 3.164 20 30 EGEDRM Cc1cn(-c2ccc(NC(=O)c3cccc(C#N)c3[O-])cc2F)cn1 ZINC001193652395 1368085647 /nfs/dbraw/zinc/08/56/47/1368085647.db2.gz HEBFQDLTURDBJG-UHFFFAOYSA-N -1 0 336.326 3.149 20 30 EGEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)c1 ZINC001193679991 1368092849 /nfs/dbraw/zinc/09/28/49/1368092849.db2.gz UNAITXMQOSPNJX-UHFFFAOYSA-N -1 0 340.763 3.160 20 30 EGEDRM N#Cc1nc2ccc(NC(=O)c3ccc(F)c([O-])c3F)cc2s1 ZINC001193783802 1368114756 /nfs/dbraw/zinc/11/47/56/1368114756.db2.gz FHDYPNMZZJEJCT-UHFFFAOYSA-N -1 0 331.303 3.404 20 30 EGEDRM Cc1sc([N-]S(=O)(=O)Cc2noc3ccccc23)c(C#N)c1C ZINC001194049869 1368174790 /nfs/dbraw/zinc/17/47/90/1368174790.db2.gz IVYOTRKJZLUKMC-UHFFFAOYSA-N -1 0 347.421 3.320 20 30 EGEDRM C[C@H](NC(=O)c1c([O-])c(F)c(F)c(F)c1F)c1cccc(C#N)c1 ZINC001195302294 1368416693 /nfs/dbraw/zinc/41/66/93/1368416693.db2.gz CUQJSLPZEKBWRA-ZETCQYMHSA-N -1 0 338.260 3.311 20 30 EGEDRM COc1cc([N-]S(=O)(=O)c2c(C)cccc2Cl)ccc1C#N ZINC001195310202 1368418297 /nfs/dbraw/zinc/41/82/97/1368418297.db2.gz USCYFTNCHSOBPB-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM COc1cc(C#N)cc([N-]S(=O)(=O)c2c(C)cccc2Cl)c1 ZINC001195317040 1368420113 /nfs/dbraw/zinc/42/01/13/1368420113.db2.gz LIKURBBYXPUEGQ-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM N#Cc1ccc(C(=O)N(Cc2ccccc2)C2CCOCC2)c([O-])c1 ZINC001195740936 1368480963 /nfs/dbraw/zinc/48/09/63/1368480963.db2.gz FYCZDNIEVAVWEJ-UHFFFAOYSA-N -1 0 336.391 3.085 20 30 EGEDRM N#Cc1ccc(C(=O)NC(=N)Cc2cccc(C(F)(F)F)c2)c([O-])c1 ZINC001195767837 1368486062 /nfs/dbraw/zinc/48/60/62/1368486062.db2.gz AQMWODLEWKJCRU-UHFFFAOYSA-N -1 0 347.296 3.232 20 30 EGEDRM C#Cc1nccnc1[N-]S(=O)(=O)c1ccc2cc(Cl)ccc2c1 ZINC001196413989 1368611233 /nfs/dbraw/zinc/61/12/33/1368611233.db2.gz FQXHGYYRTOYKRZ-UHFFFAOYSA-N -1 0 343.795 3.065 20 30 EGEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccnc(C2CC2)c1 ZINC001196651591 1368656351 /nfs/dbraw/zinc/65/63/51/1368656351.db2.gz GDGDAGDBVSIHLP-UHFFFAOYSA-N -1 0 333.800 3.285 20 30 EGEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc2c1OCCC2 ZINC001196680481 1368660920 /nfs/dbraw/zinc/66/09/20/1368660920.db2.gz NAEBCRXNOOZJMM-UHFFFAOYSA-N -1 0 348.811 3.337 20 30 EGEDRM CC(C)(NC(=S)Nc1ccc(C(=O)[O-])cc1)c1ccc(C#N)cc1 ZINC001197129432 1368751055 /nfs/dbraw/zinc/75/10/55/1368751055.db2.gz YOOCUQASZHCJST-UHFFFAOYSA-N -1 0 339.420 3.478 20 30 EGEDRM N#Cc1c(F)cc(F)cc1[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC001197607691 1368853657 /nfs/dbraw/zinc/85/36/57/1368853657.db2.gz KPHKZBJMMKLOAX-UHFFFAOYSA-N -1 0 344.289 3.057 20 30 EGEDRM C#Cc1cc(=NC(=O)c2cc(OCc3ccccc3)ccc2[O-])cc[nH]1 ZINC001197701045 1368876262 /nfs/dbraw/zinc/87/62/62/1368876262.db2.gz USQQNKUAHBHHNM-UHFFFAOYSA-N -1 0 344.370 3.022 20 30 EGEDRM N#Cc1ccncc1[N-]S(=O)(=O)Cc1cccc(Cl)c1Cl ZINC001197717486 1368879341 /nfs/dbraw/zinc/87/93/41/1368879341.db2.gz DSNYGXSGYOMITO-UHFFFAOYSA-N -1 0 342.207 3.202 20 30 EGEDRM Cc1cccc2c(CC(=O)Nc3cc(C#N)c(F)cc3[O-])noc21 ZINC001186543874 1387967562 /nfs/dbraw/zinc/96/75/62/1387967562.db2.gz SOPDXUMCHNUUNO-UHFFFAOYSA-N -1 0 325.299 3.034 20 30 EGEDRM N#Cc1cc(Cl)c(Cl)cc1[N-]S(=O)(=O)Cc1ccccn1 ZINC001197834347 1368909198 /nfs/dbraw/zinc/90/91/98/1368909198.db2.gz DBXRYLYJFHEPMQ-UHFFFAOYSA-N -1 0 342.207 3.202 20 30 EGEDRM COc1ccc(S(=O)(=O)[N-]c2c(C)ccc(C)c2C#N)c(C)c1 ZINC001198950109 1369156210 /nfs/dbraw/zinc/15/62/10/1369156210.db2.gz GBHSYXSLUNSIHE-UHFFFAOYSA-N -1 0 330.409 3.293 20 30 EGEDRM N#Cc1ccncc1[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1F ZINC001201246593 1369504053 /nfs/dbraw/zinc/50/40/53/1369504053.db2.gz IZAIBCGNKSHNJS-UHFFFAOYSA-N -1 0 346.170 3.200 20 30 EGEDRM CC(C)(C)n1cc(C#N)cc1NC(=O)c1cc(F)c(F)c([O-])c1F ZINC001186771467 1388007241 /nfs/dbraw/zinc/00/72/41/1388007241.db2.gz XYKJGRFDUDFYKP-UHFFFAOYSA-N -1 0 337.301 3.490 20 30 EGEDRM COc1ccc(C#N)cc1Nc1ccc(Cl)cc1S(=O)(=O)[O-] ZINC001201588576 1369583561 /nfs/dbraw/zinc/58/35/61/1369583561.db2.gz UDEIBOBYJAUQFQ-UHFFFAOYSA-N -1 0 338.772 3.211 20 30 EGEDRM N#Cc1ncc(Nc2cccc3cc(S(=O)(=O)[O-])ccc32)cc1F ZINC001203059676 1369969617 /nfs/dbraw/zinc/96/96/17/1369969617.db2.gz FCPRKXDDXSJUGQ-UHFFFAOYSA-N -1 0 343.339 3.236 20 30 EGEDRM Cc1nc(C#N)c([N-]S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)o1 ZINC001187044314 1388044697 /nfs/dbraw/zinc/04/46/97/1388044697.db2.gz NZKITVJRQGWLDR-UHFFFAOYSA-N -1 0 346.195 3.103 20 30 EGEDRM Cc1cnc(C#N)c([N-]S(=O)(=O)c2cc3c(s2)CCCC3)c1 ZINC001187184743 1388066341 /nfs/dbraw/zinc/06/63/41/1388066341.db2.gz KDILQFHWUQIXQS-UHFFFAOYSA-N -1 0 333.438 3.003 20 30 EGEDRM N#CCOc1ccc(NC(=O)c2ccc3[n-]c(=S)oc3c2)cc1 ZINC001116097024 1370836650 /nfs/dbraw/zinc/83/66/50/1370836650.db2.gz MTHAYQNEOOHNKD-UHFFFAOYSA-N -1 0 325.349 3.271 20 30 EGEDRM Cc1occc1-c1cc([N-]S(=O)(=O)c2ccc(CC#N)cc2)no1 ZINC001116829120 1370982891 /nfs/dbraw/zinc/98/28/91/1370982891.db2.gz BDSDNTZMKHBZEH-UHFFFAOYSA-N -1 0 343.364 3.110 20 30 EGEDRM C=CC[C@H](NC(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC001116906068 1370998251 /nfs/dbraw/zinc/99/82/51/1370998251.db2.gz GEVPJBZIIQNPRX-AGIUHOORSA-N -1 0 328.195 3.242 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1N=NCc1nc2c(s1)C[C@@H](C)CC2 ZINC001117742645 1371072619 /nfs/dbraw/zinc/07/26/19/1371072619.db2.gz TWLQMEXUJHRMCE-JTQLQIEISA-N -1 0 345.424 3.421 20 30 EGEDRM C=CC[C@H](NC(=O)Nc1cccc(OCC(F)(F)F)c1C)C(=O)[O-] ZINC001120004675 1371450974 /nfs/dbraw/zinc/45/09/74/1371450974.db2.gz VUPABKVMOXLTRJ-NSHDSACASA-N -1 0 346.305 3.087 20 30 EGEDRM CC(C)c1ccc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)cn1 ZINC001122499809 1372260513 /nfs/dbraw/zinc/26/05/13/1372260513.db2.gz KSWDAMHGNHDNST-CQSZACIVSA-N -1 0 331.379 3.220 20 30 EGEDRM CC(C)Cc1ncc(C([O-])=C(C#N)c2nnc3n2CCCCC3)s1 ZINC001122601706 1372282365 /nfs/dbraw/zinc/28/23/65/1372282365.db2.gz JBFLKQCFJAOPDS-GFCCVEGCSA-N -1 0 343.456 3.150 20 30 EGEDRM COC(=O)c1sc(Nc2cccc(C(=O)[O-])c2F)c(C#N)c1C ZINC001210239972 1372301938 /nfs/dbraw/zinc/30/19/38/1372301938.db2.gz ZPWJAFLEAGPQSQ-UHFFFAOYSA-N -1 0 334.328 3.296 20 30 EGEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1ncc(C)cc1C)c1ccccc1 ZINC001122954777 1372347096 /nfs/dbraw/zinc/34/70/96/1372347096.db2.gz FKKXIDKBQGDWIV-IRXDYDNUSA-N -1 0 335.407 3.288 20 30 EGEDRM C[C@H]1CC(=O)C=C(Nc2cccc3cc(S(=O)(=O)[O-])ccc32)C1 ZINC001210772975 1372424355 /nfs/dbraw/zinc/42/43/55/1372424355.db2.gz PADBBQXXMMIPMX-LLVKDONJSA-N -1 0 331.393 3.381 20 30 EGEDRM Cc1cc(Nc2ncc(C#N)cc2Br)ccc1C(=O)[O-] ZINC001211647678 1372595543 /nfs/dbraw/zinc/59/55/43/1372595543.db2.gz CJQGGOHLQHZHRB-UHFFFAOYSA-N -1 0 332.157 3.466 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCCC[C@H]2c2ccccc2)o1 ZINC001211866243 1372624283 /nfs/dbraw/zinc/62/42/83/1372624283.db2.gz YWHQFZOVNQTGPV-RDJZCZTQSA-N -1 0 344.436 3.404 20 30 EGEDRM CCN(CC)C(=O)c1ccc(Nc2cc(C#N)c(F)cc2[O-])cn1 ZINC001212826513 1372780877 /nfs/dbraw/zinc/78/08/77/1372780877.db2.gz NQIGAHRHZZYFAT-UHFFFAOYSA-N -1 0 328.347 3.024 20 30 EGEDRM COc1ncnc(Nc2c(Cl)cc(C(=O)[O-])cc2Cl)c1C#N ZINC001214514508 1373072454 /nfs/dbraw/zinc/07/24/54/1373072454.db2.gz GFPVRLJVOBZONY-UHFFFAOYSA-N -1 0 339.138 3.105 20 30 EGEDRM Cc1ccc(-n2ncc(C#N)c2Nc2cnc(F)c(C(=O)[O-])c2)cc1 ZINC001215102010 1373169632 /nfs/dbraw/zinc/16/96/32/1373169632.db2.gz UZMSKAWMWKHLJF-UHFFFAOYSA-N -1 0 337.314 3.028 20 30 EGEDRM N#Cc1ccc(Nc2cnc(F)c(C(=O)[O-])c2)c(Br)c1 ZINC001215107352 1373171068 /nfs/dbraw/zinc/17/10/68/1373171068.db2.gz FMGMTKHDWFZZET-UHFFFAOYSA-N -1 0 336.120 3.297 20 30 EGEDRM N#Cc1cc(Br)ccc1Nc1cnc(F)c(C(=O)[O-])c1 ZINC001215109882 1373171507 /nfs/dbraw/zinc/17/15/07/1373171507.db2.gz QBZSOROSNFFEAB-UHFFFAOYSA-N -1 0 336.120 3.297 20 30 EGEDRM COc1cc(C#N)c(Nc2ccc(F)c(C(=O)[O-])c2F)cc1OC ZINC001215276276 1373193495 /nfs/dbraw/zinc/19/34/95/1373193495.db2.gz AOSFWQNCMBFNAE-UHFFFAOYSA-N -1 0 334.278 3.295 20 30 EGEDRM Cc1c2cccc(-c3noc(-c4cccc(C#N)c4[O-])n3)c2nn1C ZINC001216980128 1373374542 /nfs/dbraw/zinc/37/45/42/1373374542.db2.gz QSNVGPWQEJZJQE-UHFFFAOYSA-N -1 0 331.335 3.176 20 30 EGEDRM N#Cc1cccc(-c2noc(-c3c[n-]c4ccc(F)cc4c3=O)n2)c1 ZINC001217161272 1373397425 /nfs/dbraw/zinc/39/74/25/1373397425.db2.gz AWNDEWCIWQFNCX-UHFFFAOYSA-N -1 0 332.294 3.256 20 30 EGEDRM C=C[C@@]1(C)CC[C@H](C(C)(C)Oc2nc(C(F)(F)F)cc(=O)[n-]2)O1 ZINC001225980929 1375183314 /nfs/dbraw/zinc/18/33/14/1375183314.db2.gz RWFXIULHRDWLJO-YGRLFVJLSA-N -1 0 332.322 3.482 20 30 EGEDRM N#Cc1c(O[C@H]2COCc3ccccc32)[n-]c(=O)cc1C(F)(F)F ZINC001226066112 1375198431 /nfs/dbraw/zinc/19/84/31/1375198431.db2.gz YSCHEPXYEVCXDN-ZDUSSCGKSA-N -1 0 336.269 3.328 20 30 EGEDRM C=C[C@H](Oc1c(C(=O)OCC)c[nH]c(=O)c1[N+](=O)[O-])c1ccccc1 ZINC001226323647 1375239954 /nfs/dbraw/zinc/23/99/54/1375239954.db2.gz DXOBATQSXNELOJ-ZDUSSCGKSA-N -1 0 344.323 3.178 20 30 EGEDRM C=C[C@@H](CCCC)Oc1c([O-])c(C(=O)OCC)oc1C(=O)OCC ZINC001227638227 1375458547 /nfs/dbraw/zinc/45/85/47/1375458547.db2.gz RXFUGXDVQBBUIW-NSHDSACASA-N -1 0 340.372 3.462 20 30 EGEDRM N#CCCN1CC(Oc2ccccc2C([O-])=CC(=O)c2ccccc2)C1 ZINC001228511403 1375584396 /nfs/dbraw/zinc/58/43/96/1375584396.db2.gz FLKSCYKVTWFCCC-UHFFFAOYSA-N -1 0 348.402 3.119 20 30 EGEDRM Cc1cc([S-])ccc1O[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC001229634750 1375869826 /nfs/dbraw/zinc/86/98/26/1375869826.db2.gz LZENQVYILFUIOW-SWLSCSKDSA-N -1 0 334.441 3.422 20 30 EGEDRM C=CCOC[C@@H]1c2c(ncn2C)CCN1Cc1cccc(Cl)c1[O-] ZINC001231912288 1376349834 /nfs/dbraw/zinc/34/98/34/1376349834.db2.gz YRSHOENPDOVIPC-MRXNPFEDSA-N -1 0 347.846 3.081 20 30 EGEDRM CCc1nc(C#N)c(C#N)nc1-c1ccc(C(=O)[O-])c(C)c1Cl ZINC001236114103 1376933354 /nfs/dbraw/zinc/93/33/54/1376933354.db2.gz QSBWWWRXMILRRX-UHFFFAOYSA-N -1 0 326.743 3.109 20 30 EGEDRM COc1nc(-c2ccc(-c3ccc(C(=O)[O-])cc3)cc2)ncc1C#N ZINC001245666460 1377048281 /nfs/dbraw/zinc/04/82/81/1377048281.db2.gz ZPCQIJGHADFWON-UHFFFAOYSA-N -1 0 331.331 3.389 20 30 EGEDRM C=C[C@H]1C[C@@]1(NC(=S)[N-]c1ccccc1SC)C(=O)OCC ZINC001249713876 1377077987 /nfs/dbraw/zinc/07/79/87/1377077987.db2.gz ZZFFSEWOQSAORT-ZBEGNZNMSA-N -1 0 336.482 3.203 20 30 EGEDRM N#Cc1cccc(O)c1[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC001258881128 1377120790 /nfs/dbraw/zinc/12/07/90/1377120790.db2.gz SQBWYXNABUIJNC-UHFFFAOYSA-N -1 0 343.191 3.371 20 30 EGEDRM COc1c(F)c(F)cc(C(=O)Nc2cc(C#N)c(F)cc2[O-])c1F ZINC001148785454 1379267739 /nfs/dbraw/zinc/26/77/39/1379267739.db2.gz CFESTAHTBQKCBG-UHFFFAOYSA-N -1 0 340.232 3.081 20 30 EGEDRM C=CCOc1ccccc1[C@H](C)NC(=O)c1ccc2[nH][nH]c(=O)c2c1 ZINC001154212126 1380228945 /nfs/dbraw/zinc/22/89/45/1380228945.db2.gz KDXBBQXHTUHYDW-LBPRGKRZSA-N -1 0 337.379 3.324 20 30 EGEDRM N#Cc1cc(NC(=O)c2c[nH]c3cnc(Cl)cc32)c([O-])cc1F ZINC001154231676 1380235066 /nfs/dbraw/zinc/23/50/66/1380235066.db2.gz TYCBBZLVYXTAKV-UHFFFAOYSA-N -1 0 330.706 3.185 20 30 EGEDRM C#C[C@@](C)(CC)Nc1ncccc1S(=O)(=O)[N-]c1cccc(F)c1 ZINC001158743276 1381378465 /nfs/dbraw/zinc/37/84/65/1381378465.db2.gz SQKQCXSWNHSJIG-KRWDZBQOSA-N -1 0 347.415 3.235 20 30 EGEDRM CCCC1(C[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)CCC1 ZINC001309308290 1384177283 /nfs/dbraw/zinc/17/72/83/1384177283.db2.gz VBXDEHZGANGXMG-UHFFFAOYSA-N -1 0 328.384 3.085 20 30 EGEDRM CCOC(=O)c1cc(C#N)c(Nc2csc(C(=O)[O-])c2)c(C)c1O ZINC001176439390 1385588708 /nfs/dbraw/zinc/58/87/08/1385588708.db2.gz UPEKRXGPNUVDEL-UHFFFAOYSA-N -1 0 346.364 3.252 20 30 EGEDRM C=CCn1cc(Nc2cc(Cl)c(C)cc2S(=O)(=O)[O-])cn1 ZINC001176548985 1385621720 /nfs/dbraw/zinc/62/17/20/1385621720.db2.gz XUUCEQLYGRJZDA-UHFFFAOYSA-N -1 0 327.793 3.021 20 30 EGEDRM N#Cc1cc(Nc2cc(S(=O)(=O)[O-])ccc2Cl)ccc1F ZINC001176618282 1385642704 /nfs/dbraw/zinc/64/27/04/1385642704.db2.gz LVCVIYIZFRHLOE-UHFFFAOYSA-N -1 0 326.736 3.341 20 30 EGEDRM CC(C)(C)c1ccc(N=NCc2ccc(OCCC(=O)[O-])cc2)nn1 ZINC001318575196 1385765869 /nfs/dbraw/zinc/76/58/69/1385765869.db2.gz KQNHOXNDMALTPT-UHFFFAOYSA-N -1 0 342.399 3.074 20 30 EGEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1ccn(C2CCCCC2)n1 ZINC001320800507 1386722483 /nfs/dbraw/zinc/72/24/83/1386722483.db2.gz SIBAXTFNAPGAKC-UHFFFAOYSA-N -1 0 330.413 3.061 20 30 EGEDRM C=CCOCCCC(=O)N(CCC)Cc1nc(=O)c2sccc2[n-]1 ZINC001330112567 1389310221 /nfs/dbraw/zinc/31/02/21/1389310221.db2.gz CELXQCUHGPPKCG-UHFFFAOYSA-N -1 0 349.456 3.118 20 30 EGEDRM CC#CC[C@H](NCc1oc2ccccc2c1Br)C(=O)[O-] ZINC001332032464 1389953475 /nfs/dbraw/zinc/95/34/75/1389953475.db2.gz KYXFVRGVYUEHPH-NSHDSACASA-N -1 0 336.185 3.152 20 30 EGEDRM C=CC[C@@H](NC(=O)C(C)(C)c1ccc(OCC(C)C)cc1)C(=O)[O-] ZINC001339860737 1390177687 /nfs/dbraw/zinc/17/76/87/1390177687.db2.gz BUBZDHDMVKZGIJ-MRXNPFEDSA-N -1 0 333.428 3.145 20 30 EGEDRM C=CCn1c(-c2c[n-]n(CC)c2=O)nnc1N1C[C@H](CC)CC[C@H]1C ZINC001340207507 1390250173 /nfs/dbraw/zinc/25/01/73/1390250173.db2.gz SAJLFCIRUMSJDL-ZIAGYGMSSA-N -1 0 344.463 3.068 20 30 EGEDRM CC(C)c1ccc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)nc1 ZINC001341820864 1390533655 /nfs/dbraw/zinc/53/36/55/1390533655.db2.gz JVGBYDZNNUPARE-CQSZACIVSA-N -1 0 331.379 3.220 20 30 EGEDRM C=C(C)Cn1c(-c2c[n-]n(CC)c2=O)nnc1N1CCC(C)(C)CC1 ZINC001342355459 1390604325 /nfs/dbraw/zinc/60/43/25/1390604325.db2.gz PDZFYHHTRXFKDJ-UHFFFAOYSA-N -1 0 344.463 3.070 20 30 EGEDRM CSc1ccc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)cc1 ZINC001343272054 1390704097 /nfs/dbraw/zinc/70/40/97/1390704097.db2.gz GTZZKZDYTMRVNA-CQSZACIVSA-N -1 0 334.404 3.424 20 30 EGEDRM Cc1sc(Cl)nc1C([O-])=C(C#N)C(=O)NCc1cccc(C)c1 ZINC001343409141 1390711944 /nfs/dbraw/zinc/71/19/44/1390711944.db2.gz AEAJBFMZEZKSEE-GFCCVEGCSA-N -1 0 347.827 3.052 20 30 EGEDRM C=CC[C@@H](NC(=O)c1cccc(OCc2cccc(C)c2)c1)C(=O)[O-] ZINC001344551808 1390799141 /nfs/dbraw/zinc/79/91/41/1390799141.db2.gz GJAVUQJSFAYHCP-GOSISDBHSA-N -1 0 339.391 3.333 20 30 EGEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1cccc(C#N)c1C)c1ccccc1 ZINC001344799950 1390815686 /nfs/dbraw/zinc/81/56/86/1390815686.db2.gz WKHPQZUKPFEXOL-RBUKOAKNSA-N -1 0 345.402 3.457 20 30 EGEDRM N#CC1(CNC(=O)c2cc(Cl)c3ccccc3c2[O-])CCOCC1 ZINC001347608305 1391099122 /nfs/dbraw/zinc/09/91/22/1391099122.db2.gz FPJWHUUEUXFEBW-UHFFFAOYSA-N -1 0 344.798 3.249 20 30 EGEDRM C=CC[C@H](NC(=O)c1c(C)cc(C)c(Br)c1C)C(=O)[O-] ZINC001348489781 1391227537 /nfs/dbraw/zinc/22/75/37/1391227537.db2.gz CNIXVGCHQMQQCQ-NSHDSACASA-N -1 0 340.217 3.133 20 30 EGEDRM CCn1ccnc1C(C#N)=C([O-])c1ncc(C(F)(F)F)cc1Cl ZINC001349702774 1391355817 /nfs/dbraw/zinc/35/58/17/1391355817.db2.gz SNCYJMAVOIEBON-VIFPVBQESA-N -1 0 342.708 3.460 20 30 EGEDRM C=CCn1c(-c2c[n-]n(CC)c2=O)nnc1N1CCC[C@](C)(CC)C1 ZINC001351545996 1391650517 /nfs/dbraw/zinc/65/05/17/1391650517.db2.gz YTSHDNXHYYPNTD-SFHVURJKSA-N -1 0 344.463 3.070 20 30 EGEDRM CC[C@@H](C)CCCCC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000825061713 1428444453 /nfs/dbraw/zinc/44/44/53/1428444453.db2.gz YLIDFLJYGKXOIG-GFCCVEGCSA-N -1 0 326.404 3.283 20 30 EGEDRM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1nc2ccccc2s1 ZINC000822923317 1429011729 /nfs/dbraw/zinc/01/17/29/1429011729.db2.gz PRYPCRQJBSOROB-AATRIKPKSA-N -1 0 339.405 3.434 20 30 EGEDRM CCCC[C@H](CC)CC=Nn1c(C)cc(C)c(-c2nn[n-]n2)c1=O ZINC000825261447 1429427844 /nfs/dbraw/zinc/42/78/44/1429427844.db2.gz ZRJXRVDHCKWGEF-AWEZNQCLSA-N -1 0 330.436 3.086 20 30 EGEDRM O=C1c2ccc(F)cc2OCCC1=Cc1ccc(-c2nn[n-]n2)s1 ZINC000826475669 1423217446 /nfs/dbraw/zinc/21/74/46/1423217446.db2.gz MPXNKRNHLNGXEZ-CLFYSBASSA-N -1 0 342.355 3.116 20 30 EGEDRM COc1ccc(C)cc1C=NNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826190105 1425316466 /nfs/dbraw/zinc/31/64/66/1425316466.db2.gz PSBFFWZXNOBFER-UHFFFAOYSA-N -1 0 342.790 3.283 20 30 EGEDRM N#Cc1ccc(Cl)cc1Oc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000822826467 1426593419 /nfs/dbraw/zinc/59/34/19/1426593419.db2.gz ZWUGCNIEAVIIFF-UHFFFAOYSA-N -1 0 333.138 3.232 20 30 EGEDRM C[C@@H](C#N)Oc1ccc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735502304 1427155979 /nfs/dbraw/zinc/15/59/79/1427155979.db2.gz DPLLVQFXDGWNRI-RSPDNQDQSA-N -1 0 345.362 3.054 20 30 EGEDRM C=CCOc1ccccc1CNc1ccc(F)cc1-c1nn[n-]n1 ZINC000819759392 1442085005 /nfs/dbraw/zinc/08/50/05/1442085005.db2.gz VZJNVRTWXVRTQH-UHFFFAOYSA-N -1 0 325.347 3.183 20 30 EGEDRM CC1=CCC[C@H](C)[C@@H]1CN=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000824852883 1442115265 /nfs/dbraw/zinc/11/52/65/1442115265.db2.gz SSNQZWXMKTZTDD-CMPLNLGQSA-N -1 0 331.811 3.305 20 30 EGEDRM CC(=NNc1ccc(C#N)c(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000823958837 1442419684 /nfs/dbraw/zinc/41/96/84/1442419684.db2.gz YRDJZKBVMUBNCB-UHFFFAOYSA-N -1 0 337.774 3.228 20 30 EGEDRM COc1ccc(C=CC(=O)c2sccc2C)cc1-c1nn[n-]n1 ZINC000737080865 1442486216 /nfs/dbraw/zinc/48/62/16/1442486216.db2.gz IBYXNWADPKMNHH-HWKANZROSA-N -1 0 326.381 3.141 20 30 EGEDRM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2cccc(Cl)c2F)o1 ZINC000820202733 1443097484 /nfs/dbraw/zinc/09/74/84/1443097484.db2.gz KKLIOTMEBZOQEK-UHFFFAOYSA-N -1 0 349.757 3.217 20 30 EGEDRM N#CCOc1ccc(CSc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000737697205 1443146332 /nfs/dbraw/zinc/14/63/32/1443146332.db2.gz DNFVTZUQFBKOSA-UHFFFAOYSA-N -1 0 341.371 3.200 20 30 EGEDRM COc1ccc2[nH]cc(C(=O)C=Cc3ccc(-c4nn[n-]n4)cc3)c2c1 ZINC000737113822 1446298460 /nfs/dbraw/zinc/29/84/60/1446298460.db2.gz GWENCPJFEUKORQ-RUDMXATFSA-N -1 0 345.362 3.253 20 30 EGEDRM CC[C@H](C)CCCCC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000825061716 1446915794 /nfs/dbraw/zinc/91/57/94/1446915794.db2.gz YLIDFLJYGKXOIG-LBPRGKRZSA-N -1 0 326.404 3.283 20 30 EGEDRM C#CCCCCCC(=O)N(CCC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000823842037 1447011013 /nfs/dbraw/zinc/01/10/13/1447011013.db2.gz XQJBJSWQHFQLLJ-UHFFFAOYSA-N -1 0 339.443 3.189 20 30 EGEDRM C#CCCOc1ccc(CNc2cc(-c3nn[n-]n3)ccc2C)cc1 ZINC000823844559 1447061534 /nfs/dbraw/zinc/06/15/34/1447061534.db2.gz AVEKHHVLIAKWMY-UHFFFAOYSA-N -1 0 333.395 3.189 20 30 EGEDRM C=CC[C@@H](NC(=O)N[C@@H](C(=O)[O-])C1CCCCC1)c1ccncc1 ZINC000780578846 939138105 /nfs/dbraw/zinc/13/81/05/939138105.db2.gz ZOUVBLJLIYHOBG-HZPDHXFCSA-N -1 0 331.416 3.032 20 30 EGEDRM C=CCSCCNC(=O)N[C@H](C(=O)[O-])c1cccc2ccccc21 ZINC000797716495 939177888 /nfs/dbraw/zinc/17/78/88/939177888.db2.gz YHVFMZZJEKEBLR-INIZCTEOSA-N -1 0 344.436 3.184 20 30 EGEDRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)Nc2ccc(CC#N)cc2)C1 ZINC000325259843 971198428 /nfs/dbraw/zinc/19/84/28/971198428.db2.gz JMEGRQTUEYYCHG-AWEZNQCLSA-N -1 0 329.400 3.107 20 30 EGEDRM C#Cc1ccc(NC(=O)NCc2ccc(C(=O)[O-])cc2)c(Cl)c1 ZINC001602707183 971341781 /nfs/dbraw/zinc/34/17/81/971341781.db2.gz KUZDLUFKSKPPEH-UHFFFAOYSA-N -1 0 328.755 3.341 20 30 EGEDRM C=CCCO[C@@H](C)C(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](C)C2 ZINC001602721954 971384700 /nfs/dbraw/zinc/38/47/00/971384700.db2.gz JUXXZXMZCJRREG-MNOVXSKESA-N -1 0 337.441 3.491 20 30 EGEDRM C=CCc1cc(OC)ccc1OC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001602730093 971406340 /nfs/dbraw/zinc/40/63/40/971406340.db2.gz RVMLTXZMRJLSLR-UHFFFAOYSA-N -1 0 342.347 3.106 20 30 EGEDRM CCCC[C@@H](ON=C(C)C)C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589639566 949665998 /nfs/dbraw/zinc/66/59/98/949665998.db2.gz CAXPQNWXNZTJSE-LXTVHRRPSA-N -1 0 340.464 3.209 20 30 EGEDRM CCCC[C@H](ON=C(C)C)C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001589639936 949675753 /nfs/dbraw/zinc/67/57/53/949675753.db2.gz PZMJQFHIDPMYOX-ZACQAIPSSA-N -1 0 346.427 3.387 20 30 EGEDRM CC(C)(C)CN(CC(=O)[O-])C(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC001602861791 971724875 /nfs/dbraw/zinc/72/48/75/971724875.db2.gz MNRMHCJRSQAEJG-UHFFFAOYSA-N -1 0 341.329 3.016 20 30 EGEDRM C=C1CCN(C(=O)Nc2cc(C(=O)[O-])ccc2Br)CC1 ZINC000382547907 951225075 /nfs/dbraw/zinc/22/50/75/951225075.db2.gz AUOBNEIALBCDLL-UHFFFAOYSA-N -1 0 339.189 3.331 20 30 EGEDRM CCOc1c(Cl)cc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])cc1Cl ZINC001592009198 951291807 /nfs/dbraw/zinc/29/18/07/951291807.db2.gz KHUFAXZNOOOFRB-CQSZACIVSA-N -1 0 345.182 3.335 20 30 EGEDRM C=C(Cl)CNC(=O)Nc1cc(C(=O)[O-])c(Br)cc1C ZINC000381731206 971773550 /nfs/dbraw/zinc/77/35/50/971773550.db2.gz NFZRRHDEJXLIPR-UHFFFAOYSA-N -1 0 347.596 3.330 20 30 EGEDRM C[C@@H]1CCCN(CC#Cc2ccc(OC(F)(F)F)cc2)[C@H]1C(=O)[O-] ZINC001589327934 953928129 /nfs/dbraw/zinc/92/81/29/953928129.db2.gz LNZAMPMOTGCSIF-IUODEOHRSA-N -1 0 341.329 3.122 20 30 EGEDRM C=CC[C@@H](NC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1ccncc1 ZINC000848579587 955751774 /nfs/dbraw/zinc/75/17/74/955751774.db2.gz IMWGPFJDNMFGKF-SLBVQIDZSA-N -1 0 345.443 3.133 20 30 EGEDRM N#C[C@@H](NC(=O)C1(CC(=O)[O-])CCC1)c1cccc(Cl)c1Cl ZINC001594602547 956148675 /nfs/dbraw/zinc/14/86/75/956148675.db2.gz XQABMYUGBPDYGQ-LLVKDONJSA-N -1 0 341.194 3.319 20 30 EGEDRM N#Cc1c(F)cccc1Oc1ccc(-c2nc(CC(=O)[O-])no2)cc1 ZINC001594612055 956224080 /nfs/dbraw/zinc/22/40/80/956224080.db2.gz VTHUIHDOFTUJAB-UHFFFAOYSA-N -1 0 339.282 3.167 20 30 EGEDRM N#Cc1cc(NC(=O)[C@H]2CC[C@H]2C(=O)[O-])ccc1Oc1ccccc1 ZINC001594615825 956235564 /nfs/dbraw/zinc/23/55/64/956235564.db2.gz HXDGDQVXXGEILC-JKSUJKDBSA-N -1 0 336.347 3.400 20 30 EGEDRM N#Cc1cc(N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)c([N+](=O)[O-])s1 ZINC001594616729 956244110 /nfs/dbraw/zinc/24/41/10/956244110.db2.gz YTNZCBWRQAMSQX-NWDGAFQWSA-N -1 0 329.337 3.253 20 30 EGEDRM N#Cc1ccc(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)cc1Cl ZINC001594617549 956250344 /nfs/dbraw/zinc/25/03/44/956250344.db2.gz FBMBHIJRBRCMBY-ONERCXAPSA-N -1 0 332.787 3.070 20 30 EGEDRM N#Cc1cccc(Oc2ccnc(NCCCCCC(=O)[O-])n2)c1 ZINC001594628938 956338413 /nfs/dbraw/zinc/33/84/13/956338413.db2.gz XRVHGGCJPSRMDJ-UHFFFAOYSA-N -1 0 326.356 3.197 20 30 EGEDRM N#Cc1ccsc1C(=O)N1C[C@@H](CCC(=O)[O-])Cc2ccccc21 ZINC001594631853 956347049 /nfs/dbraw/zinc/34/70/49/956347049.db2.gz OUUWEZOKDZJXAR-LBPRGKRZSA-N -1 0 340.404 3.304 20 30 EGEDRM Cc1cc(C#N)cc(C)c1C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001594273847 957696769 /nfs/dbraw/zinc/69/67/69/957696769.db2.gz CIVNULOJLCDFPE-ZWKOTPCHSA-N -1 0 348.402 3.116 20 30 EGEDRM C#C[C@H](NC(=O)Nc1ccc(C(=O)[O-])c(C)c1)c1ccc(F)cc1 ZINC001588385799 957973409 /nfs/dbraw/zinc/97/34/09/957973409.db2.gz JEZYJLICPWUFCV-INIZCTEOSA-N -1 0 326.327 3.328 20 30 EGEDRM Cc1cc(F)c(C#N)cc1NC(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001594310730 958013859 /nfs/dbraw/zinc/01/38/59/958013859.db2.gz KTHKTJXMVNSWJM-GFCCVEGCSA-N -1 0 333.363 3.115 20 30 EGEDRM Cc1cc(OC(=O)c2cccc(OCC(=O)[O-])c2)c(C)c(C)c1C#N ZINC001594326711 958179881 /nfs/dbraw/zinc/17/98/81/958179881.db2.gz ILPNFUAQURTWAR-UHFFFAOYSA-N -1 0 339.347 3.166 20 30 EGEDRM C#CCN(CC(=O)[O-])Cc1cc(Cl)c(OC(C)C)cc1Cl ZINC001588423643 958208120 /nfs/dbraw/zinc/20/81/20/958208120.db2.gz AULKLDCALADYPK-UHFFFAOYSA-N -1 0 330.211 3.300 20 30 EGEDRM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@]1(C(=O)[O-])CC=CCC1 ZINC001588440032 958325761 /nfs/dbraw/zinc/32/57/61/958325761.db2.gz LIXWGQPSBYRUMT-IBGZPJMESA-N -1 0 345.443 3.180 20 30 EGEDRM C=CC[C@@H](Cc1ccccc1)NC(=O)NCC(CC)(CC)C(=O)[O-] ZINC001588452868 958428253 /nfs/dbraw/zinc/42/82/53/958428253.db2.gz LNBXMBOKDCYRMF-INIZCTEOSA-N -1 0 332.444 3.364 20 30 EGEDRM C=C1CCC(CNC(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)CC1 ZINC001573329525 958509765 /nfs/dbraw/zinc/50/97/65/958509765.db2.gz IACBXKYXWFHCNO-DLBZAZTESA-N -1 0 328.412 3.345 20 30 EGEDRM C[C@@H](NC(=O)c1ccc(C#N)c(Cl)c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001603239328 972378320 /nfs/dbraw/zinc/37/83/20/972378320.db2.gz DLTCAQNJYPRNGP-JIMOISOXSA-N -1 0 334.803 3.077 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1cccc(-c2nc3ccccc3o2)c1 ZINC001588540099 958958006 /nfs/dbraw/zinc/95/80/06/958958006.db2.gz QQNODAYIXJZZNZ-LJQANCHMSA-N -1 0 349.346 3.438 20 30 EGEDRM Cc1c(CN(C)C(=O)[C@@](C)(C#N)CC(=O)[O-])oc2c1cccc2C ZINC001594261583 959697980 /nfs/dbraw/zinc/69/79/80/959697980.db2.gz IJLNNXSZPZDBLI-GOSISDBHSA-N -1 0 328.368 3.013 20 30 EGEDRM N#Cc1ccc(N2CCCC[C@H]2CC(=O)[O-])c(F)c1Br ZINC000231842049 960210898 /nfs/dbraw/zinc/21/08/98/960210898.db2.gz DZAXUQSZWRAPCI-JTQLQIEISA-N -1 0 341.180 3.293 20 30 EGEDRM C=CCCO[C@H](C)C(=O)N[C@H](CC(=O)[O-])c1ccc(SC)cc1 ZINC000262083175 961443075 /nfs/dbraw/zinc/44/30/75/961443075.db2.gz DUTOJXRUIPCVOK-IUODEOHRSA-N -1 0 337.441 3.022 20 30 EGEDRM N#Cc1ccc(Oc2ccc(NC(=O)[C@H](C(=O)[O-])C3CC3)cc2)cc1 ZINC001574487360 961688205 /nfs/dbraw/zinc/68/82/05/961688205.db2.gz AIEZPVTZLNFCNA-QGZVFWFLSA-N -1 0 336.347 3.400 20 30 EGEDRM CC(C)Oc1ccc(COC(=O)[C@@](C)(C#N)CC(=O)[O-])cc1Cl ZINC001588938102 962513452 /nfs/dbraw/zinc/51/34/52/962513452.db2.gz LJRVNTCQOBODHH-MRXNPFEDSA-N -1 0 339.775 3.175 20 30 EGEDRM CC(C)Oc1ccc(NC(=O)[C@@]2(C(=O)[O-])CC=CCC2)cc1C#N ZINC001588938231 962518077 /nfs/dbraw/zinc/51/80/77/962518077.db2.gz VSCDCGOIPYEZLM-GOSISDBHSA-N -1 0 328.368 3.095 20 30 EGEDRM C#CCN(Cc1ccc(F)cc1)[C@@H](C(=O)[O-])c1cccc(OC)c1 ZINC001573311559 962706226 /nfs/dbraw/zinc/70/62/26/962706226.db2.gz UDFAZUNNCLSODX-GOSISDBHSA-N -1 0 327.355 3.095 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)[C@@H](C)Oc1ccc(C(C)C)c(C)c1)C(=O)[O-] ZINC001573320660 962750800 /nfs/dbraw/zinc/75/08/00/962750800.db2.gz DOYCYPKAASXIJN-RHSMWYFYSA-N -1 0 333.428 3.421 20 30 EGEDRM C=CCCC[C@H](NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1)c1ccccc1 ZINC001573366565 963059518 /nfs/dbraw/zinc/05/95/18/963059518.db2.gz MSHJRGLENMEDJT-HNNXBMFYSA-N -1 0 348.424 3.089 20 30 EGEDRM CC(C)C[C@H](CNC(=O)N(C)[C@H](C)c1cccc(C#N)c1)C(=O)[O-] ZINC001121899183 969681966 /nfs/dbraw/zinc/68/19/66/969681966.db2.gz AAZCGORDFVLCJZ-CZUORRHYSA-N -1 0 331.416 3.008 20 30 EGEDRM CC[C@]1(C(=O)[O-])CCCN(C(=O)N[C@@H](CCC#N)c2ccccc2)C1 ZINC001336848194 969734197 /nfs/dbraw/zinc/73/41/97/969734197.db2.gz KWGZCLJEBHRKHO-LPHOPBHVSA-N -1 0 343.427 3.318 20 30 EGEDRM N#Cc1cc(C(=O)N2C[C@@H](CCC(=O)[O-])Cc3ccccc32)cs1 ZINC001605591901 973891042 /nfs/dbraw/zinc/89/10/42/973891042.db2.gz HNXGCAOTSYIVPE-LBPRGKRZSA-N -1 0 340.404 3.304 20 30 EGEDRM N#Cc1cccc(Oc2ccc(NC(=O)C3(C(=O)[O-])CC=CC3)cn2)c1 ZINC001605619992 973941206 /nfs/dbraw/zinc/94/12/06/973941206.db2.gz QDLNSXLQYZINNJ-UHFFFAOYSA-N -1 0 349.346 3.105 20 30 EGEDRM CCN(C(=O)Nc1ccccc1S[C@@H](C)CC#N)[C@@H](C)C(=O)[O-] ZINC001603715122 974131486 /nfs/dbraw/zinc/13/14/86/974131486.db2.gz BYYUIXNBGDGZIA-RYUDHWBXSA-N -1 0 335.429 3.408 20 30 EGEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001591758435 975835495 /nfs/dbraw/zinc/83/54/95/975835495.db2.gz DSJPTWIIQKJLDD-UONOGXRCSA-N -1 0 330.384 3.175 20 30 EGEDRM C[C@H](CC(=O)[O-])CC(=O)N[C@H](C#N)c1c(Cl)cccc1Cl ZINC001592374784 977903599 /nfs/dbraw/zinc/90/35/99/977903599.db2.gz GODRDPLBVYXSGJ-GZMMTYOYSA-N -1 0 329.183 3.175 20 30 EGEDRM COc1cc(NC(C)=O)ccc1C(C)=NNc1cccc(C(=O)[O-])c1 ZINC000747735688 978686893 /nfs/dbraw/zinc/68/68/93/978686893.db2.gz HQUZRDLOZLSBED-UHFFFAOYSA-N -1 0 341.367 3.188 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1NN=Cc1c[nH]nc1-c1ccccc1 ZINC000756901047 978701086 /nfs/dbraw/zinc/70/10/86/978701086.db2.gz HCHBWHCMQSOYKQ-UHFFFAOYSA-N -1 0 336.351 3.230 20 30 EGEDRM CC(=NNc1ccc(C(=O)[O-])cn1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000758128860 978703943 /nfs/dbraw/zinc/70/39/43/978703943.db2.gz KKFIQLQSUWQVFX-UHFFFAOYSA-N -1 0 334.719 3.178 20 30 EGEDRM COc1cc(C(C)N=Nc2ccc(C(=O)[O-])cc2OC)ccc1F ZINC000765584244 978723766 /nfs/dbraw/zinc/72/37/66/978723766.db2.gz LZMSOIONZLEQLO-UHFFFAOYSA-N -1 0 332.331 3.377 20 30 EGEDRM CC(C)(C)OC(=O)N1CC[C@@](C)(CN=Nc2ccccc2C(=O)[O-])C1 ZINC000776724991 978774950 /nfs/dbraw/zinc/77/49/50/978774950.db2.gz XTPKPJVAWIQPAM-SFHVURJKSA-N -1 0 347.415 3.430 20 30 EGEDRM COc1ccc2c(c1OC)O/C(=C/c1cccc(C(=O)[O-])c1)C2=O ZINC000799499014 978841631 /nfs/dbraw/zinc/84/16/31/978841631.db2.gz MZUDDMKVVZAZHW-NTEUORMPSA-N -1 0 326.304 3.018 20 30 EGEDRM CCOC(=O)c1ccc(N=NC2CC[C@H](CC(=O)[O-])[C@H]2C)cc1C ZINC000814935278 978899334 /nfs/dbraw/zinc/89/93/34/978899334.db2.gz OEMGFIGCSJPELZ-CHWSQXEVSA-N -1 0 332.400 3.460 20 30 EGEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC001592833805 979572759 /nfs/dbraw/zinc/57/27/59/979572759.db2.gz KBZUHMKVTOSSRD-RHSMWYFYSA-N -1 0 348.402 3.342 20 30 EGEDRM CC[C@@H](CNc1ccc(C(=O)[O-])nc1C#N)Oc1ccccc1C ZINC001595172401 979740893 /nfs/dbraw/zinc/74/08/93/979740893.db2.gz BZAFIXCMUDNYGE-ZDUSSCGKSA-N -1 0 325.368 3.229 20 30 EGEDRM C=C[C@@H](CC)CC(=O)N(CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000907575962 981195135 /nfs/dbraw/zinc/19/51/35/981195135.db2.gz WMIGXULXLDCYJK-LBPRGKRZSA-N -1 0 325.355 3.370 20 30 EGEDRM C#CCC1(C(=O)N[C@H](CC(=O)[O-])Cc2ccccc2)CCCCC1 ZINC000908237909 981287029 /nfs/dbraw/zinc/28/70/29/981287029.db2.gz SHMHGSZMQCSQOB-KRWDZBQOSA-N -1 0 327.424 3.162 20 30 EGEDRM C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000909228102 981438099 /nfs/dbraw/zinc/43/80/99/981438099.db2.gz SJUBBVNRIBHZCJ-RDJZCZTQSA-N -1 0 349.452 3.314 20 30 EGEDRM C=C(C)[C@@H](CC(=O)N1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1)OCC ZINC000910096802 981757109 /nfs/dbraw/zinc/75/71/09/981757109.db2.gz BUEYJVZQBAKDCU-YESZJQIVSA-N -1 0 331.412 3.175 20 30 EGEDRM C=CC(C)(C)C(=O)N1Cc2sc(C(=O)[O-])c(Br)c2C1 ZINC000910164437 981770144 /nfs/dbraw/zinc/77/01/44/981770144.db2.gz ZJKAPBJTYWXGHY-UHFFFAOYSA-N -1 0 344.230 3.263 20 30 EGEDRM CCCC[C@H](ON=C(C)C)C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC001595652557 982035292 /nfs/dbraw/zinc/03/52/92/982035292.db2.gz VKFBQROHKSSYSV-VGWMRTNUSA-N -1 0 338.448 3.202 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1sccc1Br)C(=O)[O-] ZINC000910914114 982161494 /nfs/dbraw/zinc/16/14/94/982161494.db2.gz HUEFUVSSFHEOHC-SECBINFHSA-N -1 0 332.219 3.050 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1oc2ccccc2c1COC)C(=O)[O-] ZINC000910916396 982163496 /nfs/dbraw/zinc/16/34/96/982163496.db2.gz VQOUPMGEYSFNIF-CQSZACIVSA-N -1 0 331.368 3.119 20 30 EGEDRM CCCCCCCNC(=O)N1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001595704311 982273610 /nfs/dbraw/zinc/27/36/10/982273610.db2.gz DTZCLCHKOCNKSE-LBPRGKRZSA-N -1 0 339.461 3.311 20 30 EGEDRM CCCCN1C(=O)N[C@H](c2c(F)cc(C#N)cc2F)C(C(=O)[O-])=C1C ZINC001595749587 982426074 /nfs/dbraw/zinc/42/60/74/982426074.db2.gz NUIOSTBMVFGIIR-HNNXBMFYSA-N -1 0 349.337 3.061 20 30 EGEDRM C=CCC(C)(C)C(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1 ZINC000911597605 982529773 /nfs/dbraw/zinc/52/97/73/982529773.db2.gz JIIWGLLFOOXYEM-UHFFFAOYSA-N -1 0 330.428 3.390 20 30 EGEDRM C=CCO[C@H]1CCN([C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)C1 ZINC001118320175 982952832 /nfs/dbraw/zinc/95/28/32/982952832.db2.gz UFKKWSOWLRVNIW-FZMZJTMJSA-N -1 0 330.211 3.396 20 30 EGEDRM C#C[C@@H](C)Oc1ccc(COC(=O)Cc2cccc(C(=O)[O-])c2)cc1 ZINC001588369621 983316182 /nfs/dbraw/zinc/31/61/82/983316182.db2.gz RDWAKLWHASRRCX-CQSZACIVSA-N -1 0 338.359 3.071 20 30 EGEDRM C#C[C@H](NC(=O)NCc1cccc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC001588373698 983339418 /nfs/dbraw/zinc/33/94/18/983339418.db2.gz IYQMYUWJODJCAW-INIZCTEOSA-N -1 0 342.782 3.212 20 30 EGEDRM C#C[C@H](NC(=O)Nc1ccc(F)c(C(=O)[O-])c1F)c1ccccc1 ZINC001588374542 983345236 /nfs/dbraw/zinc/34/52/36/983345236.db2.gz YWKFQGRALSNUDT-LBPRGKRZSA-N -1 0 330.290 3.159 20 30 EGEDRM C#CCC(C)(C)C(=O)Nc1cc(Br)cc(C(=O)[O-])c1C ZINC001588383523 983381888 /nfs/dbraw/zinc/38/18/88/983381888.db2.gz CGYZUSZAVFPPRH-UHFFFAOYSA-N -1 0 338.201 3.444 20 30 EGEDRM C#CCC(C)(C)C(=O)Nc1cc(Br)c(F)c(C(=O)[O-])c1 ZINC001588383825 983384369 /nfs/dbraw/zinc/38/43/69/983384369.db2.gz LYDFVATWCVQWDZ-UHFFFAOYSA-N -1 0 342.164 3.274 20 30 EGEDRM CCCn1c(C)cc(C(=O)CON=Cc2ccc(C(=O)[O-])cc2)c1C ZINC001596107639 983432133 /nfs/dbraw/zinc/43/21/33/983432133.db2.gz HLSSROIXVBNPOZ-UHFFFAOYSA-N -1 0 342.395 3.447 20 30 EGEDRM C#CC[C@@H](NC(=O)c1cc(-c2ccc(F)cc2)c(C)s1)C(=O)[O-] ZINC001588414663 983434833 /nfs/dbraw/zinc/43/48/33/983434833.db2.gz XPJASMGVGWOJNM-CQSZACIVSA-N -1 0 331.368 3.069 20 30 EGEDRM C#CCN1C(=O)c2ccccc2N[C@]12CCC[C@@H](CCCC(=O)[O-])C2 ZINC001588471442 983506030 /nfs/dbraw/zinc/50/60/30/983506030.db2.gz OBPJKMZEXULFJR-FOIQADDNSA-N -1 0 340.423 3.329 20 30 EGEDRM C#CCOc1ccc([C@H](C)OC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)cc1 ZINC001588497693 983540740 /nfs/dbraw/zinc/54/07/40/983540740.db2.gz VZAJPCKIJSJAPC-BPUTZDHNSA-N -1 0 330.380 3.194 20 30 EGEDRM C=C(C)C[C@H](C)C(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC001588537096 983597470 /nfs/dbraw/zinc/59/74/70/983597470.db2.gz YFDCLRVHIZIMMS-NSHDSACASA-N -1 0 325.792 3.061 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)Cc1nc(-c2ccc(F)cc2)cs1)C(=O)[O-] ZINC001588543397 983611719 /nfs/dbraw/zinc/61/17/19/983611719.db2.gz IMGVXUVZMAZXCF-CYBMUJFWSA-N -1 0 348.399 3.027 20 30 EGEDRM C=C(C)C[C@H](NC(=O)c1ccc(C)c(Oc2ccncc2)c1)C(=O)[O-] ZINC001588547309 983619606 /nfs/dbraw/zinc/61/96/06/983619606.db2.gz XKYBTGHDOZMCIE-INIZCTEOSA-N -1 0 340.379 3.332 20 30 EGEDRM C=C(C)CN(CC)C(=O)[C@H](C)Oc1ccc(C(=O)[O-])c(Cl)c1 ZINC001588562878 983644064 /nfs/dbraw/zinc/64/40/64/983644064.db2.gz KIBPDFBAKUNJFS-NSHDSACASA-N -1 0 325.792 3.230 20 30 EGEDRM C=C(C)CN(Cc1ccc(CO)o1)[C@@H](C(=O)[O-])c1ccccc1F ZINC001588568010 983648876 /nfs/dbraw/zinc/64/88/76/983648876.db2.gz ZHQWXERNPFZVKH-QGZVFWFLSA-N -1 0 333.359 3.115 20 30 EGEDRM C=C(C)COc1cc(/C=C\c2ncncc2C(=O)[O-])ccc1OC ZINC001588573543 983653179 /nfs/dbraw/zinc/65/31/79/983653179.db2.gz PRAGUUNTVLITJV-XQRVVYSFSA-N -1 0 326.352 3.309 20 30 EGEDRM C=C(C)Cn1c(C(C)C)nnc1N1CCc2ccc(C(=O)[O-])cc2C1 ZINC001588590068 983669351 /nfs/dbraw/zinc/66/93/51/983669351.db2.gz YAZHDHUGPIWSEK-UHFFFAOYSA-N -1 0 340.427 3.239 20 30 EGEDRM C=C(C)Cn1c([C@@H]2C[C@H]2C)nnc1N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001588592237 983676308 /nfs/dbraw/zinc/67/63/08/983676308.db2.gz UKVCSJPTXSLSQZ-QLFBSQMISA-N -1 0 332.448 3.059 20 30 EGEDRM C=C(C)Cn1c(SCC2(CC(=O)[O-])CC2)nnc1-c1ccncc1 ZINC001588599558 983690508 /nfs/dbraw/zinc/69/05/08/983690508.db2.gz WUTUKOPOMNSTCB-UHFFFAOYSA-N -1 0 344.440 3.263 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC001588615241 983710942 /nfs/dbraw/zinc/71/09/42/983710942.db2.gz NZIPWNRZBOOGIW-OAHLLOKOSA-N -1 0 326.396 3.295 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1cc(F)ccc1OCC(F)(F)F ZINC001588629832 983739348 /nfs/dbraw/zinc/73/93/48/983739348.db2.gz VYMSYMOBRGLLQB-UHFFFAOYSA-N -1 0 335.253 3.126 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1cccc(NC(=O)c2ccccc2)c1 ZINC001588633614 983750313 /nfs/dbraw/zinc/75/03/13/983750313.db2.gz KEJLJMDBYNNDCW-UHFFFAOYSA-N -1 0 338.363 3.298 20 30 EGEDRM C=C[C@@H](C(=O)[O-])N1CCN(c2ccc(C(F)(F)F)cc2Cl)CC1 ZINC001588669304 983811155 /nfs/dbraw/zinc/81/11/55/983811155.db2.gz INDPPSVNHSCAKX-LBPRGKRZSA-N -1 0 348.752 3.120 20 30 EGEDRM C=C[C@](C)(CC)C(=O)NCc1ccc(C(=O)[O-])cc1Br ZINC001588681622 983840521 /nfs/dbraw/zinc/84/05/21/983840521.db2.gz BMLGGLZQAXJIKE-OAHLLOKOSA-N -1 0 340.217 3.366 20 30 EGEDRM C=C[C@H](CC)CC(=O)Nc1cc(C(=O)[O-])ccc1-n1cc(C)cn1 ZINC001588691217 983878421 /nfs/dbraw/zinc/87/84/21/983878421.db2.gz UFPPTJJEXCMCEL-CYBMUJFWSA-N -1 0 327.384 3.420 20 30 EGEDRM C=CC[C@H](C)NC(=O)N1CCC(Cc2ccccc2C(=O)[O-])CC1 ZINC001588736743 984026695 /nfs/dbraw/zinc/02/66/95/984026695.db2.gz TZKSBKCOUJGIDP-AWEZNQCLSA-N -1 0 330.428 3.314 20 30 EGEDRM C=CCC1(C(=O)N2CC[C@@H](c3ncc(C(=O)[O-])s3)C2)CCCC1 ZINC001588762909 984117334 /nfs/dbraw/zinc/11/73/34/984117334.db2.gz NCSHPNPRYZYQHJ-GFCCVEGCSA-N -1 0 334.441 3.294 20 30 EGEDRM C=CC[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)C1 ZINC001588772684 984144775 /nfs/dbraw/zinc/14/47/75/984144775.db2.gz LPTCUZAVXNXFCC-LLVKDONJSA-N -1 0 343.832 3.015 20 30 EGEDRM C=CCC[C@@H](C(=O)Nc1nnc(CCC(=O)[O-])s1)c1ccccc1 ZINC001588776833 984153484 /nfs/dbraw/zinc/15/34/84/984153484.db2.gz JARMAXDBLXLUJE-CYBMUJFWSA-N -1 0 345.424 3.244 20 30 EGEDRM C=CCC[C@H](C(=O)N[C@@H](Cc1cncs1)C(=O)[O-])c1ccccc1 ZINC001588776795 984153661 /nfs/dbraw/zinc/15/36/61/984153661.db2.gz GXZRKXVLHZRSQB-HOTGVXAUSA-N -1 0 344.436 3.005 20 30 EGEDRM C=CCCC[C@@H](C(=O)Nc1cc(C(=O)[O-])nn1C)c1ccccc1 ZINC001588783025 984176232 /nfs/dbraw/zinc/17/62/32/984176232.db2.gz UITRBDCAQAQAOE-CQSZACIVSA-N -1 0 327.384 3.197 20 30 EGEDRM C=CCCC[C@H](NC(=O)CCc1cncc2ccccc21)C(=O)[O-] ZINC001588788717 984192486 /nfs/dbraw/zinc/19/24/86/984192486.db2.gz LEBWBGHLZBHKCL-KRWDZBQOSA-N -1 0 326.396 3.093 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1cc(Br)c(C)s1)C(=O)[O-] ZINC001588792299 984208015 /nfs/dbraw/zinc/20/80/15/984208015.db2.gz CGFPNRHPTATCKV-JTQLQIEISA-N -1 0 346.246 3.358 20 30 EGEDRM C=CCCC[C@H](NS(=O)(=O)c1ccc(C(C)(C)C)s1)C(=O)[O-] ZINC001588798727 984238237 /nfs/dbraw/zinc/23/82/37/984238237.db2.gz PVMTWWRYFRBLNG-NSHDSACASA-N -1 0 345.486 3.133 20 30 EGEDRM C=CCCCCNC(=O)NCCc1cc2ccc(C(=O)[O-])cc2o1 ZINC001588802321 984249076 /nfs/dbraw/zinc/24/90/76/984249076.db2.gz HFZFWMXGBAAXOR-UHFFFAOYSA-N -1 0 330.384 3.329 20 30 EGEDRM C=CCCSCCNC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001588814913 984274243 /nfs/dbraw/zinc/27/42/43/984274243.db2.gz YEGLWYHQEVVSPC-LSDHHAIUSA-N -1 0 334.441 3.306 20 30 EGEDRM C=CCN(CCc1ccccc1)C(=O)Nc1cnc(C)c(C(=O)[O-])c1 ZINC001588828692 984308518 /nfs/dbraw/zinc/30/85/18/984308518.db2.gz JJQKQGSWOSWAMP-UHFFFAOYSA-N -1 0 339.395 3.351 20 30 EGEDRM C=CCO[C@@H]1CCN(C(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)C1 ZINC001588850050 984378500 /nfs/dbraw/zinc/37/85/00/984378500.db2.gz UYAIOVUXBWLGPR-OAHLLOKOSA-N -1 0 340.379 3.347 20 30 EGEDRM C=CCOc1ccc(OC(=O)[C@@]2(C(=O)[O-])C[C@H]2c2ccccc2)cc1 ZINC001588872860 984442578 /nfs/dbraw/zinc/44/25/78/984442578.db2.gz ODSPNPYXVJYLRY-PXNSSMCTSA-N -1 0 338.359 3.415 20 30 EGEDRM C=CCOc1ccc(COC(=O)C23CCC(C(=O)[O-])(CC2)C3)cc1 ZINC001588872808 984442768 /nfs/dbraw/zinc/44/27/68/984442768.db2.gz LCEUCKMHULLQGC-UHFFFAOYSA-N -1 0 330.380 3.330 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)COCC1CCCC1 ZINC001588881606 984460532 /nfs/dbraw/zinc/46/05/32/984460532.db2.gz CFKNBUWIGUXECJ-UHFFFAOYSA-N -1 0 348.395 3.234 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)C(F)(F)CC=C ZINC001588882075 984462170 /nfs/dbraw/zinc/46/21/70/984462170.db2.gz LTVHGPUWPSXOTG-UHFFFAOYSA-N -1 0 326.295 3.239 20 30 EGEDRM C=CCn1cnnc1S[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC001588909031 984541654 /nfs/dbraw/zinc/54/16/54/984541654.db2.gz GFPXBZLUDIPDJF-LLVKDONJSA-N -1 0 327.768 3.175 20 30 EGEDRM C[C@H](CC(=O)[O-])NC(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC001599887848 984657762 /nfs/dbraw/zinc/65/77/62/984657762.db2.gz VZVSAYHWGYCODC-GFCCVEGCSA-N -1 0 339.351 3.335 20 30 EGEDRM C/C(=C/COC(=O)c1cn(CCCC#N)c2ccccc12)C(=O)[O-] ZINC001588991969 984917602 /nfs/dbraw/zinc/91/76/02/984917602.db2.gz MIJLROOJQFNPSF-JYRVWZFOSA-N -1 0 326.352 3.133 20 30 EGEDRM Cc1c2cc(C#N)ccc2sc1C(=O)N(C[C@H](C)C(=O)[O-])C1CC1 ZINC001599974240 986062846 /nfs/dbraw/zinc/06/28/46/986062846.db2.gz IRHHLGNBNXPCCN-JTQLQIEISA-N -1 0 342.420 3.407 20 30 EGEDRM C[C@H](C#N)CN(C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1)C1CC1 ZINC001589329074 986160914 /nfs/dbraw/zinc/16/09/14/986160914.db2.gz IGENKEDTXZPSNA-XFBWCDHKSA-N -1 0 327.384 3.031 20 30 EGEDRM CCOc1ccc(O)c(/C=N/[C@@H]2CCSC3(CC(C(=O)[O-])C3)C2)c1 ZINC001597129585 986839537 /nfs/dbraw/zinc/83/95/37/986839537.db2.gz FFLBVNWUDYCALL-QQJYFMPNSA-N -1 0 349.452 3.339 20 30 EGEDRM C[C@H](C(=O)[O-])[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)c1ccccc1 ZINC001589462407 986918192 /nfs/dbraw/zinc/91/81/92/986918192.db2.gz PDBFPIZAZXQHNC-YFYLHZKVSA-N -1 0 348.402 3.240 20 30 EGEDRM CC[C@H](C#N)Oc1cc(CNc2cc(C(=O)[O-])ccn2)ccc1OC ZINC001594724736 987222618 /nfs/dbraw/zinc/22/26/18/987222618.db2.gz CCRGLAWODGJZQC-CQSZACIVSA-N -1 0 341.367 3.081 20 30 EGEDRM CC(C)(C(=O)N1CCc2cc(C(=O)[O-])ccc2C1)c1ccc(C#N)cc1 ZINC001589563715 987326594 /nfs/dbraw/zinc/32/65/94/987326594.db2.gz LFGCVAGOTWKBPI-UHFFFAOYSA-N -1 0 348.402 3.119 20 30 EGEDRM CC(C)(C)C#CC(=O)N[C@H](C[C@@H]1CCCc2ccccc21)C(=O)[O-] ZINC001589684558 987721985 /nfs/dbraw/zinc/72/19/85/987721985.db2.gz JIZLRWDQMQQPSK-DOTOQJQBSA-N -1 0 327.424 3.116 20 30 EGEDRM CCn1cc(-c2ccc(OCc3cccc(C(=O)[O-])c3C#N)cc2)nn1 ZINC001597868337 989661181 /nfs/dbraw/zinc/66/11/81/989661181.db2.gz FMMWYQSVANGZNW-UHFFFAOYSA-N -1 0 348.362 3.114 20 30 EGEDRM CC(C)(C)Oc1ccc(CCNc2ccc(C(=O)[O-])nc2C#N)cc1 ZINC001590408518 989941302 /nfs/dbraw/zinc/94/13/02/989941302.db2.gz APEVXAUYZZCTQU-UHFFFAOYSA-N -1 0 339.395 3.483 20 30 EGEDRM CC(C)(C)c1ccc(C#N)c(N2CC[C@](C(=O)[O-])(c3ccccc3)C2)n1 ZINC001590472159 990043585 /nfs/dbraw/zinc/04/35/85/990043585.db2.gz KROIQQLWFOHAHA-OAQYLSRUSA-N -1 0 349.434 3.483 20 30 EGEDRM CN(C(=O)/C=C/c1ccc(C(=O)[O-])o1)c1cc(Cl)ccc1C#N ZINC001598006134 990158011 /nfs/dbraw/zinc/15/80/11/990158011.db2.gz IYCRYYFLAWHPJV-FNORWQNLSA-N -1 0 330.727 3.179 20 30 EGEDRM CC(C)C[C@@H](C(=O)N(CC#N)CCC(=O)[O-])c1ccc(Cl)cc1 ZINC001591118149 991781633 /nfs/dbraw/zinc/78/16/33/991781633.db2.gz MPLKWJABKMGBHF-OAHLLOKOSA-N -1 0 336.819 3.297 20 30 EGEDRM CN(Cc1cc(-c2ccccc2)n[nH]1)[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001598505009 992491612 /nfs/dbraw/zinc/49/16/12/992491612.db2.gz VCIHSIFECDJMJP-LJQANCHMSA-N -1 0 346.390 3.206 20 30 EGEDRM CN(Cc1cc(-c2ccccc2)n[nH]1)[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001598505007 992491718 /nfs/dbraw/zinc/49/17/18/992491718.db2.gz VCIHSIFECDJMJP-IBGZPJMESA-N -1 0 346.390 3.206 20 30 EGEDRM CN(Cc1cccc(C#N)c1)C(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC001598525759 992718727 /nfs/dbraw/zinc/71/87/27/992718727.db2.gz YJJHDYDJXKYCKK-UHFFFAOYSA-N -1 0 343.427 3.125 20 30 EGEDRM COc1ccc(NC(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)cc1C#N ZINC001599593507 993718715 /nfs/dbraw/zinc/71/87/15/993718715.db2.gz YDAVEPDAGPMMFE-LLVKDONJSA-N -1 0 339.351 3.399 20 30 EGEDRM COc1cccc(CON=C(C)c2ccc(OCC(=O)[O-])cc2)c1 ZINC001599676556 994906687 /nfs/dbraw/zinc/90/66/87/994906687.db2.gz LKMXCUQKNRUARP-UHFFFAOYSA-N -1 0 329.352 3.099 20 30 EGEDRM C[C@@]1(C(=O)[O-])CCCN(C(=O)N[C@H](CCCC#N)c2ccccc2)C1 ZINC001593767380 996449606 /nfs/dbraw/zinc/44/96/06/996449606.db2.gz BANLRHWETJHJTF-VQIMIIECSA-N -1 0 343.427 3.318 20 30 EGEDRM CC1(C)CCC[C@@](NC(=O)c2ccc(C#N)c(Cl)c2)(C(=O)[O-])C1 ZINC001593892057 996739258 /nfs/dbraw/zinc/73/92/58/996739258.db2.gz JYHFNMHQPHZXJC-KRWDZBQOSA-N -1 0 334.803 3.365 20 30 EGEDRM COC(=O)Nc1ccc(N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1F ZINC001598886740 996914361 /nfs/dbraw/zinc/91/43/61/996914361.db2.gz OUBZYAVSLQGQRP-OAHLLOKOSA-N -1 0 343.314 3.113 20 30 EGEDRM CON=Cc1ccc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2C)cc1 ZINC001599320828 997578127 /nfs/dbraw/zinc/57/81/27/997578127.db2.gz NXZGPJUYHMMUPZ-UHFFFAOYSA-N -1 0 330.315 3.065 20 30 EGEDRM COc1ccc(C2CCN(c3ccc(C(=O)[O-])nc3C#N)CC2)cc1 ZINC001599540139 997823209 /nfs/dbraw/zinc/82/32/09/997823209.db2.gz HHQRGYCGQDATFU-UHFFFAOYSA-N -1 0 337.379 3.044 20 30 EGEDRM COc1ccc(/C=C\C(=O)c2cc(C(=O)[O-])cs2)cc1[N+](=O)[O-] ZINC001599544476 997900603 /nfs/dbraw/zinc/90/06/03/997900603.db2.gz SBMPTXMIHGBJBU-RQOWECAXSA-N -1 0 333.321 3.259 20 30 EGEDRM COc1cc(OC)c(OC)cc1/C=C/C(=O)c1cc(C(=O)[O-])cs1 ZINC001599448999 998059447 /nfs/dbraw/zinc/05/94/47/998059447.db2.gz QCGBZEVCBBHWOK-SNAWJCMRSA-N -1 0 348.376 3.368 20 30 EGEDRM C[C@H]1[C@H](C(=O)[O-])CCN1c1c(C#N)cnc2ccc(OC(F)F)cc21 ZINC001594170989 998656823 /nfs/dbraw/zinc/65/68/23/998656823.db2.gz NZAYOCAASWBSPD-JOYOIKCWSA-N -1 0 347.321 3.007 20 30 EGEDRM C[C@H]1CC[C@](NC(=O)CC#Cc2ccccc2)(C(=O)[O-])c2ccccc21 ZINC001594313851 999208250 /nfs/dbraw/zinc/20/82/50/999208250.db2.gz NEGDBWDWBIWZIF-KSFYIVLOSA-N -1 0 347.414 3.422 20 30 EGEDRM CCc1sc(C([O-])=C(C#N)C(=O)NCc2ccccc2)cc1C ZINC000103503587 219308713 /nfs/dbraw/zinc/30/87/13/219308713.db2.gz JOJSRMURGDFJSN-AWEZNQCLSA-N -1 0 326.421 3.258 20 30 EGEDRM CC[C@H](C)n1ncc([N-]S(=O)(=O)c2cc(C#N)ccc2C)c1C ZINC000359635269 141393755 /nfs/dbraw/zinc/39/37/55/141393755.db2.gz GPRDIXAFJUILBB-LBPRGKRZSA-N -1 0 332.429 3.143 20 30 EGEDRM CC(C)Cn1cc([N-]c2ncc([N+](=O)[O-])cc2C#N)c(C(F)F)n1 ZINC000341335157 155239166 /nfs/dbraw/zinc/23/91/66/155239166.db2.gz NJDWXPWFQOOVKU-UHFFFAOYSA-N -1 0 336.302 3.395 20 30 EGEDRM N#Cc1ccc(NC(=O)NCCCCCC(=O)[O-])cc1C(F)(F)F ZINC000336877632 154227527 /nfs/dbraw/zinc/22/75/27/154227527.db2.gz RRGYJVTVSPMMCP-UHFFFAOYSA-N -1 0 343.305 3.344 20 30 EGEDRM CCN(C(=O)c1cc(F)cc2n[nH]nc21)[C@@H](C)c1ccc(C#N)cc1 ZINC000337436151 154351441 /nfs/dbraw/zinc/35/14/41/154351441.db2.gz HRHPMTVQTKFDQM-NSHDSACASA-N -1 0 337.358 3.192 20 30 EGEDRM N#Cc1cscc1C(=O)N=c1nc(-c2ccccc2Cl)[n-]s1 ZINC000340161878 155118035 /nfs/dbraw/zinc/11/80/35/155118035.db2.gz MVZZPDFMLXEZCT-UHFFFAOYSA-N -1 0 346.824 3.466 20 30 EGEDRM Cc1nc(C)c([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)s1 ZINC000355811632 166316938 /nfs/dbraw/zinc/31/69/38/166316938.db2.gz HOMGYPJUFZQDMG-UHFFFAOYSA-N -1 0 327.818 3.086 20 30 EGEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccnn1[C@H](C)CC(C)C ZINC000359152407 167082670 /nfs/dbraw/zinc/08/26/70/167082670.db2.gz ZOXILGJTFIBPPY-CQSZACIVSA-N -1 0 346.456 3.471 20 30 EGEDRM Cc1ccc(-c2c[nH]cc2C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)s1 ZINC000359727000 167216183 /nfs/dbraw/zinc/21/61/83/167216183.db2.gz RIIURAGOFDDYJN-UHFFFAOYSA-N -1 0 337.408 3.198 20 30 EGEDRM CC(C)COc1ccc(-c2cccc(OCC(=O)[O-])c2C#N)cn1 ZINC000517395785 270059313 /nfs/dbraw/zinc/05/93/13/270059313.db2.gz PZZBQPXXSMCTGR-UHFFFAOYSA-N -1 0 326.352 3.118 20 30 EGEDRM CCCCCCCS(=O)(=O)[N-]c1nnc(-c2cccc(C#N)c2)o1 ZINC000284960726 266024646 /nfs/dbraw/zinc/02/46/46/266024646.db2.gz CCMLBOSYXRZMIU-UHFFFAOYSA-N -1 0 348.428 3.320 20 30 EGEDRM CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000157531159 266050877 /nfs/dbraw/zinc/05/08/77/266050877.db2.gz ZNASQRMWXQHRMN-UHFFFAOYSA-N -1 0 339.351 3.224 20 30 EGEDRM CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000188357430 266362189 /nfs/dbraw/zinc/36/21/89/266362189.db2.gz RNKPBAIGBOVQDI-GFCCVEGCSA-N -1 0 337.379 3.044 20 30 EGEDRM CCC(CC)(CC(=O)N[C@H]1CCCc2cc(C#N)ccc21)C(=O)[O-] ZINC000416383079 266994878 /nfs/dbraw/zinc/99/48/78/266994878.db2.gz BQHWANKXVLPAIT-INIZCTEOSA-N -1 0 328.412 3.333 20 30 EGEDRM CCCNc1ccc(C#N)cc1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436996287 267026059 /nfs/dbraw/zinc/02/60/59/267026059.db2.gz GJICLEYMCSGTFQ-UHFFFAOYSA-N -1 0 340.339 3.246 20 30 EGEDRM Cc1cc(NC(=O)c2ccc(C#N)c([O-])c2)nn1-c1ccc(C)cc1 ZINC000189141834 267345745 /nfs/dbraw/zinc/34/57/45/267345745.db2.gz FSBWWIXPUHRZHU-UHFFFAOYSA-N -1 0 332.363 3.319 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(COC3CCCC3)cc2)o1 ZINC000288644461 268207832 /nfs/dbraw/zinc/20/78/32/268207832.db2.gz XRVCCLTUYPEKFC-UHFFFAOYSA-N -1 0 346.408 3.411 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cnccc2-c2ccccc2)cc1 ZINC000432348676 268261601 /nfs/dbraw/zinc/26/16/01/268261601.db2.gz UKUGXOWCCOADKC-UHFFFAOYSA-N -1 0 335.388 3.421 20 30 EGEDRM N#Cc1nc(NC(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)[n-]c1C#N ZINC000175293361 268324189 /nfs/dbraw/zinc/32/41/89/268324189.db2.gz CMCYAYVYHKBSSS-QWRGUYRKSA-N -1 0 346.177 3.202 20 30 EGEDRM CCOc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435473961 269672230 /nfs/dbraw/zinc/67/22/30/269672230.db2.gz LCECDINPDZQCFV-UHFFFAOYSA-N -1 0 342.829 3.473 20 30 EGEDRM CCCc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2OC)cc1 ZINC000322129211 308768109 /nfs/dbraw/zinc/76/81/09/308768109.db2.gz NUTSGJJEBFZBGY-UHFFFAOYSA-N -1 0 330.409 3.320 20 30 EGEDRM CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2cccc(C#N)c2)c1C1CC1 ZINC000534971866 314009218 /nfs/dbraw/zinc/00/92/18/314009218.db2.gz ISYUTULTBDBPDO-GFCCVEGCSA-N -1 0 344.440 3.404 20 30 EGEDRM Cc1ccc(C#N)c(Sc2n[n-]c(=NC3CCCCC3)s2)n1 ZINC000553246301 315252904 /nfs/dbraw/zinc/25/29/04/315252904.db2.gz PKSQWPNODRZBHF-UHFFFAOYSA-N -1 0 331.470 3.431 20 30 EGEDRM CCCc1cnc([N-]S(=O)(=O)c2cccc(Cl)c2C#N)s1 ZINC000183197768 323600774 /nfs/dbraw/zinc/60/07/74/323600774.db2.gz JGRDBGPWLLJWEL-UHFFFAOYSA-N -1 0 341.845 3.421 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)N2CC3(CCCC3)[C@H]2C(C)C)cc1C#N ZINC000583737432 325547532 /nfs/dbraw/zinc/54/75/32/325547532.db2.gz WXXCPYRMMWAZIW-CQSZACIVSA-N -1 0 345.468 3.422 20 30 EGEDRM N#Cc1cc(F)ccc1[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000180734430 455236257 /nfs/dbraw/zinc/23/62/57/455236257.db2.gz HCTSIDHECWPWMH-UHFFFAOYSA-N -1 0 335.747 3.023 20 30 EGEDRM C=CCN(Cc1ccccc1)C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000237976422 455240631 /nfs/dbraw/zinc/24/06/31/455240631.db2.gz ZNSPJWDAYXISBL-UHFFFAOYSA-N -1 0 340.335 3.121 20 30 EGEDRM C=CCCCS(=O)(=O)N[C@@H](CC(=O)[O-])c1ccc(C(C)C)cc1 ZINC000581643747 459275911 /nfs/dbraw/zinc/27/59/11/459275911.db2.gz DMYLVRPBHQPEAU-INIZCTEOSA-N -1 0 339.457 3.211 20 30 EGEDRM C=CCN(C)C(=O)C[C@@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000634914468 460602331 /nfs/dbraw/zinc/60/23/31/460602331.db2.gz VRQGAUOQDJMTJL-OAHLLOKOSA-N -1 0 330.211 3.370 20 30 EGEDRM COc1ccccc1OCCn1[n-]c(C(C)(C)C)c(CCC#N)c1=O ZINC000181689127 455372358 /nfs/dbraw/zinc/37/23/58/455372358.db2.gz TYKMMTZQUMKAFR-UHFFFAOYSA-N -1 0 343.427 3.430 20 30 EGEDRM C=C[C@@H](CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])c1ccccc1 ZINC000190731178 455374837 /nfs/dbraw/zinc/37/48/37/455374837.db2.gz NMOQONYLVWBLNA-KXBFYZLASA-N -1 0 335.403 3.384 20 30 EGEDRM CC(C)(C)c1ncc(C([O-])=C(C#N)c2nnc3n2CCCCC3)s1 ZINC000069346152 454096415 /nfs/dbraw/zinc/09/64/15/454096415.db2.gz YYPOGAXAKDEOLS-NSHDSACASA-N -1 0 343.456 3.249 20 30 EGEDRM COCCOc1ccc(C(=O)[C@@H](C#N)c2cnc3ccccc3n2)cc1 ZINC000190889353 455398404 /nfs/dbraw/zinc/39/84/04/455398404.db2.gz DDFYPHNDMOENEM-INIZCTEOSA-N -1 0 347.374 3.145 20 30 EGEDRM C=CCOc1cccc([N-]S(=O)(=O)c2cc(F)ccc2F)c1 ZINC000057124099 454103675 /nfs/dbraw/zinc/10/36/75/454103675.db2.gz MSAJRMZMUVSSTM-UHFFFAOYSA-N -1 0 325.336 3.330 20 30 EGEDRM Cc1nc([N-]S(=O)(=O)Cc2ccccc2)sc1SCC#N ZINC000089562685 454162501 /nfs/dbraw/zinc/16/25/01/454162501.db2.gz UXOGBAPMJZIOIM-UHFFFAOYSA-N -1 0 339.467 3.009 20 30 EGEDRM C[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000071883902 454241971 /nfs/dbraw/zinc/24/19/71/454241971.db2.gz OVKUIJLNPORBGS-POYBYMJQSA-N -1 0 325.283 3.146 20 30 EGEDRM COc1cc(/C=C\c2nc(C(=O)[O-])ccc2C#N)cc(Cl)c1O ZINC000097040476 454394083 /nfs/dbraw/zinc/39/40/83/454394083.db2.gz IJJGMGVYFVLQII-RQOWECAXSA-N -1 0 330.727 3.189 20 30 EGEDRM O=C(C=Cc1ccc(Cl)nc1)[N-]S(=O)(=O)Cc1ccccc1 ZINC000091437776 454435566 /nfs/dbraw/zinc/43/55/66/454435566.db2.gz AIRIOOLLCMZYQF-VQHVLOKHSA-N -1 0 336.800 3.235 20 30 EGEDRM COCCOc1ncccc1C([O-])=C(C#N)c1nc(C(C)C)cs1 ZINC000091698081 454460917 /nfs/dbraw/zinc/46/09/17/454460917.db2.gz ZMKUYJDZJOZVMV-ZDUSSCGKSA-N -1 0 345.424 3.177 20 30 EGEDRM N#Cc1cccc(C=CC(=O)[N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000048454778 454491371 /nfs/dbraw/zinc/49/13/71/454491371.db2.gz BTZSMUYMRQHMAR-RUDMXATFSA-N -1 0 330.340 3.056 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2ccc(S(=O)(=O)C(C)C)cc2)n1 ZINC000048788799 454515712 /nfs/dbraw/zinc/51/57/12/454515712.db2.gz PSUFLDGVYXGCDA-CQSZACIVSA-N -1 0 348.449 3.124 20 30 EGEDRM COc1ccccc1S(=O)(=O)[N-]c1ccc(OC(C)C)c(C#N)c1 ZINC000152647878 454706064 /nfs/dbraw/zinc/70/60/64/454706064.db2.gz AGXHFEBIGHJJHF-UHFFFAOYSA-N -1 0 346.408 3.155 20 30 EGEDRM C=CCCO[C@H](C)C(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000191473678 455487851 /nfs/dbraw/zinc/48/78/51/455487851.db2.gz BHKVYKWRCMKWIE-CXAGYDPISA-N -1 0 327.380 3.063 20 30 EGEDRM C[C@@H]1CCCC[C@@H]1NC(=O)Cn1[n-]c(C(C)(C)C)c(CCC#N)c1=O ZINC000151841758 455038059 /nfs/dbraw/zinc/03/80/59/455038059.db2.gz WIAPULFYFFGNFR-HIFRSBDPSA-N -1 0 346.475 3.037 20 30 EGEDRM Cn1cnc(-c2ccc(C([O-])=C(C#N)c3nc4ccccc4o3)cc2)n1 ZINC000182872500 455182326 /nfs/dbraw/zinc/18/23/26/455182326.db2.gz CUTWBRNQICGFRE-CQSZACIVSA-N -1 0 343.346 3.113 20 30 EGEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1nccc2sccc21 ZINC000182021157 455418604 /nfs/dbraw/zinc/41/86/04/455418604.db2.gz AQHPGJGUVUCUNX-UHFFFAOYSA-N -1 0 329.406 3.277 20 30 EGEDRM COc1ccc([N+](=O)[O-])c(C([O-])=C(C#N)c2cnc3ccccc3n2)c1 ZINC000190996368 455421720 /nfs/dbraw/zinc/42/17/20/455421720.db2.gz VGZWKSJFBSPEDI-ZDUSSCGKSA-N -1 0 348.318 3.037 20 30 EGEDRM COc1ccc([N+](=O)[O-])c(C([O-])=C(C#N)c2cnc3ccccc3n2)c1 ZINC000190996384 455421820 /nfs/dbraw/zinc/42/18/20/455421820.db2.gz VGZWKSJFBSPEDI-CYBMUJFWSA-N -1 0 348.318 3.037 20 30 EGEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccccc1OC(C)C ZINC000184806056 455451610 /nfs/dbraw/zinc/45/16/10/455451610.db2.gz ABOIBOYLOUAWIR-UHFFFAOYSA-N -1 0 346.408 3.155 20 30 EGEDRM CC(C)[C@H](O)C1(C/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000271855390 455787559 /nfs/dbraw/zinc/78/75/59/455787559.db2.gz XFWPKMVGZRCWQC-NOICUEDQSA-N -1 0 326.780 3.170 20 30 EGEDRM COc1cccc([C@@H](C)CCCC(=O)Nc2nc(C#N)c(C#N)[n-]2)c1 ZINC000279150591 455858876 /nfs/dbraw/zinc/85/88/76/455858876.db2.gz BRGWUPVWSNJWNG-LBPRGKRZSA-N -1 0 337.383 3.074 20 30 EGEDRM N#CCCCCS(=O)(=O)[N-]CC(F)(F)c1ccc(Cl)cc1 ZINC000285690395 455896960 /nfs/dbraw/zinc/89/69/60/455896960.db2.gz RTULBGWHPNPXFJ-UHFFFAOYSA-N -1 0 336.791 3.045 20 30 EGEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)c1cccc2n[nH]nc21 ZINC000187824443 455958031 /nfs/dbraw/zinc/95/80/31/455958031.db2.gz GCZUJKUXXBRHGO-NSHDSACASA-N -1 0 337.408 3.462 20 30 EGEDRM C=CCC[C@H](NC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1)C(=O)[O-] ZINC000262821805 456061393 /nfs/dbraw/zinc/06/13/93/456061393.db2.gz FCXYNCFYOHXODI-UGSOOPFHSA-N -1 0 341.407 3.488 20 30 EGEDRM C=CCC[C@@H](NC(=O)[C@H](C)Sc1ccc(Cl)cc1)C(=O)[O-] ZINC000262893095 456066523 /nfs/dbraw/zinc/06/65/23/456066523.db2.gz LQAWBCAJFLTVIQ-GXFFZTMASA-N -1 0 327.833 3.356 20 30 EGEDRM C=CCC[C@@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)C(=O)[O-] ZINC000263005304 456076673 /nfs/dbraw/zinc/07/66/73/456076673.db2.gz WSMXXEWOSZXUQY-CYBMUJFWSA-N -1 0 325.792 3.033 20 30 EGEDRM C=CCN(CC=C)C(=O)c1ccc(NC(=O)CCCCC(=O)[O-])cc1 ZINC000289910733 456178308 /nfs/dbraw/zinc/17/83/08/456178308.db2.gz ZFSFLQQNAFTVEE-UHFFFAOYSA-N -1 0 344.411 3.084 20 30 EGEDRM CCCCCCCC(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000236841844 456191383 /nfs/dbraw/zinc/19/13/83/456191383.db2.gz JVNKWFVPIRKQKD-UHFFFAOYSA-N -1 0 334.416 3.190 20 30 EGEDRM N#C[C@H]1CCC[C@@H]1NC(=O)c1cc(Br)cc(Cl)c1[O-] ZINC000334086431 456298893 /nfs/dbraw/zinc/29/88/93/456298893.db2.gz DXKORQPZYYSZRJ-HQJQHLMTSA-N -1 0 343.608 3.230 20 30 EGEDRM C=CCOc1ccc(CN=c2[n-]nc(CC(C)C)s2)cc1OC ZINC000347820251 456386137 /nfs/dbraw/zinc/38/61/37/456386137.db2.gz WSQWAMIQLXQZGY-UHFFFAOYSA-N -1 0 333.457 3.344 20 30 EGEDRM CCc1ocnc1C([O-])=C(C#N)c1nc2ccccc2n1C(F)F ZINC000353024521 456447055 /nfs/dbraw/zinc/44/70/55/456447055.db2.gz INBRUCSPDKWOKV-SECBINFHSA-N -1 0 330.294 3.472 20 30 EGEDRM Cc1cc(=NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)[n-]nc1C ZINC000343601696 456734960 /nfs/dbraw/zinc/73/49/60/456734960.db2.gz CAASEBLJNKHTBQ-UHFFFAOYSA-N -1 0 337.427 3.077 20 30 EGEDRM CC[C@@H](CC#N)NC(=O)N=c1nc(Sc2ccc(C)cc2)[n-]s1 ZINC000353529788 456738618 /nfs/dbraw/zinc/73/86/18/456738618.db2.gz LKDVFMOKHSXTBI-NSHDSACASA-N -1 0 347.469 3.233 20 30 EGEDRM Cc1c([N-]S(=O)(=O)c2ccc(C#N)o2)cccc1C(F)(F)F ZINC000340960552 456785715 /nfs/dbraw/zinc/78/57/15/456785715.db2.gz OYUJXOGQFIEGFX-UHFFFAOYSA-N -1 0 330.287 3.279 20 30 EGEDRM C[C@@H]1C[C@H](C([O-])=Nc2cccc(-c3nnnn3C3CC3)c2)CC(=O)N1 ZINC000329355202 456878294 /nfs/dbraw/zinc/87/82/94/456878294.db2.gz VPYVTNUOGGXGLC-PWSUYJOCSA-N -1 0 340.387 3.018 20 30 EGEDRM O=C(N[C@@H]1CCCC[C@@H]1c1ccccc1)c1cccn2c([O-])nnc12 ZINC000329496411 456900964 /nfs/dbraw/zinc/90/09/64/456900964.db2.gz JAARGQONCUVJEV-GDBMZVCRSA-N -1 0 336.395 3.466 20 30 EGEDRM CCCc1nc(C)c([N-]S(=O)(=O)c2cc(C#N)ccc2C)s1 ZINC000362721623 457061074 /nfs/dbraw/zinc/06/10/74/457061074.db2.gz BWRYZAONQLUJQG-UHFFFAOYSA-N -1 0 335.454 3.385 20 30 EGEDRM CCC(CC)c1n[n-]c(=NC(=O)NC[C@@H]2CCO[C@@H](C)C2)s1 ZINC000330625862 457062438 /nfs/dbraw/zinc/06/24/38/457062438.db2.gz IDHAZSVUXYVUER-WDEREUQCSA-N -1 0 326.466 3.005 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(C)c(C)s2)n1 ZINC000354657048 457300941 /nfs/dbraw/zinc/30/09/41/457300941.db2.gz PBSTUICUIWZEFZ-JTQLQIEISA-N -1 0 334.422 3.488 20 30 EGEDRM Cc1cc2cccnc2c([N-]S(=O)(=O)c2ccccc2CC#N)c1 ZINC000355838695 457422018 /nfs/dbraw/zinc/42/20/18/457422018.db2.gz WNDWRIYPKLERMN-UHFFFAOYSA-N -1 0 337.404 3.410 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)c2cnc3ccc(F)cc3c2)cc1F ZINC000357469971 457549016 /nfs/dbraw/zinc/54/90/16/457549016.db2.gz JAGIRTAGZPFGHV-UHFFFAOYSA-N -1 0 345.330 3.185 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)cc1F ZINC000357491569 457562237 /nfs/dbraw/zinc/56/22/37/457562237.db2.gz WNXYQMCQFIZCND-UHFFFAOYSA-N -1 0 328.727 3.291 20 30 EGEDRM COC(=O)c1cc(NC(=O)c2ccc(C#N)c([O-])c2)cc(Cl)c1F ZINC000361251405 457666843 /nfs/dbraw/zinc/66/68/43/457666843.db2.gz WJDOLUYJPOUZDH-UHFFFAOYSA-N -1 0 348.717 3.095 20 30 EGEDRM C=CCC(C)(C)CNC(=O)N=c1[n-]nc(Cc2cccc(F)c2)s1 ZINC000433144677 457764475 /nfs/dbraw/zinc/76/44/75/457764475.db2.gz DDWKXMMOSIENGQ-UHFFFAOYSA-N -1 0 348.447 3.414 20 30 EGEDRM N#CC(=C([O-])c1cnn(-c2ccccc2)c1)c1cnc2ccccc2n1 ZINC000361538139 457778850 /nfs/dbraw/zinc/77/88/50/457778850.db2.gz BOWLEMSXVNANPW-MRXNPFEDSA-N -1 0 339.358 3.306 20 30 EGEDRM C=CCOc1ccc(C(=O)Nc2cc(COC)cc(C(=O)[O-])c2)cc1 ZINC000427712790 458025056 /nfs/dbraw/zinc/02/50/56/458025056.db2.gz DYHSYZWVKFAMNP-UHFFFAOYSA-N -1 0 341.363 3.348 20 30 EGEDRM CCC(=O)c1ccc([O-])c(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)c1 ZINC000436653752 458354798 /nfs/dbraw/zinc/35/47/98/458354798.db2.gz VIDBCMXOZRNGNW-LBPRGKRZSA-N -1 0 338.363 3.263 20 30 EGEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(Cl)cc1OCC(F)F ZINC000416953299 458358517 /nfs/dbraw/zinc/35/85/17/458358517.db2.gz HPZULAZVVIJVEZ-VIFPVBQESA-N -1 0 338.763 3.028 20 30 EGEDRM CCCc1[nH]ccc1C([O-])=C(C#N)c1nc(C(=O)OCC)cs1 ZINC000422120993 458425820 /nfs/dbraw/zinc/42/58/20/458425820.db2.gz NOTMJTQJOVKOOO-LLVKDONJSA-N -1 0 331.397 3.090 20 30 EGEDRM C[C@@H]1C[C@@]1(C#N)C(=O)Nc1cc(Cl)cc(Br)c1[O-] ZINC000450049096 458438083 /nfs/dbraw/zinc/43/80/83/458438083.db2.gz YCBDPTRROMCQKE-INWYIAFRSA-N -1 0 329.581 3.296 20 30 EGEDRM C=C(C)Cn1c(-c2cc3ccccc3o2)n[n-]c1=Nc1cnn(C)c1 ZINC000460924426 458540011 /nfs/dbraw/zinc/54/00/11/458540011.db2.gz GDSBJIOPAQCLKN-UHFFFAOYSA-N -1 0 334.383 3.166 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3cnco3)c2)s1 ZINC000373752557 458591611 /nfs/dbraw/zinc/59/16/11/458591611.db2.gz OQBBCTTXDUYDBY-UHFFFAOYSA-N -1 0 331.378 3.076 20 30 EGEDRM C=CCCO[C@@H](C)C(=O)N[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000455941908 458623787 /nfs/dbraw/zinc/62/37/87/458623787.db2.gz YKAULLXBIHMJHD-GWCFXTLKSA-N -1 0 345.317 3.086 20 30 EGEDRM C=CCN=c1[n-]nc(SCCOc2ccccc2OCC)s1 ZINC000463040291 458671873 /nfs/dbraw/zinc/67/18/73/458671873.db2.gz VAERAOTYBOIGJX-UHFFFAOYSA-N -1 0 337.470 3.128 20 30 EGEDRM C=C[C@@H](C)NC(=O)N=c1[n-]nc(-c2ccc(Cl)cc2F)s1 ZINC000471315446 458689506 /nfs/dbraw/zinc/68/95/06/458689506.db2.gz RJYMARQROVKCJJ-SSDOTTSWSA-N -1 0 326.784 3.116 20 30 EGEDRM C=CCOc1cc(OC)ccc1C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000463714589 458716162 /nfs/dbraw/zinc/71/61/62/458716162.db2.gz WXFSNKPJDYIGEH-UHFFFAOYSA-N -1 0 347.440 3.083 20 30 EGEDRM COc1cc([N+](=O)[O-])ccc1C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000495210226 458812740 /nfs/dbraw/zinc/81/27/40/458812740.db2.gz DCWIQJCQDYGLIO-LBPRGKRZSA-N -1 0 337.291 3.235 20 30 EGEDRM O=C([O-])c1cccc(/C=C\C(=O)c2cccc(N3CCOC3=O)c2)c1 ZINC000495326239 458836256 /nfs/dbraw/zinc/83/62/56/458836256.db2.gz IEZZIPZLWWHHIU-FPLPWBNLSA-N -1 0 337.331 3.238 20 30 EGEDRM C=CC[C@@H](CC)NC(=O)N=c1[n-]nc(Cc2ccc(C)cc2)s1 ZINC000466367248 458896116 /nfs/dbraw/zinc/89/61/16/458896116.db2.gz RKSVLWVPPBICGX-CQSZACIVSA-N -1 0 330.457 3.335 20 30 EGEDRM N#CCC1(CSc2n[n-]c(=NCc3ccc(F)cc3)s2)CC1 ZINC000594881090 459165309 /nfs/dbraw/zinc/16/53/09/459165309.db2.gz DEGIGSWGDYGUEP-UHFFFAOYSA-N -1 0 334.445 3.497 20 30 EGEDRM N#CCC1(CSc2n[n-]c(=NCCc3ccccc3)s2)CC1 ZINC000594881637 459165351 /nfs/dbraw/zinc/16/53/51/459165351.db2.gz MKPHIOQYMGGSNP-UHFFFAOYSA-N -1 0 330.482 3.401 20 30 EGEDRM C=CCC[C@H](NC(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000580712457 459263265 /nfs/dbraw/zinc/26/32/65/459263265.db2.gz GSIOJBYABSINNM-PVAVHDDUSA-N -1 0 330.428 3.446 20 30 EGEDRM C=CCC[C@H](NC(=O)NCc1ccc(C)cc1OCC1CC1)C(=O)[O-] ZINC000581473101 459272820 /nfs/dbraw/zinc/27/28/20/459272820.db2.gz DZTPVDWDUFHLDI-INIZCTEOSA-N -1 0 346.427 3.002 20 30 EGEDRM CCCn1ncc([N-]S(=O)(=O)c2cccc(C)c2C#N)c1C1CC1 ZINC000560254686 459315959 /nfs/dbraw/zinc/31/59/59/459315959.db2.gz YAXSAMWRVOTJEM-UHFFFAOYSA-N -1 0 344.440 3.151 20 30 EGEDRM N#Cc1cccc(NC(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c1 ZINC000582159173 459316604 /nfs/dbraw/zinc/31/66/04/459316604.db2.gz XYPSFWBAONPYCL-CQSZACIVSA-N -1 0 347.733 3.298 20 30 EGEDRM C=CCC[C@H](NC(=O)N[C@H](C)c1nc(C(C)(C)C)cs1)C(=O)[O-] ZINC000560487173 459356737 /nfs/dbraw/zinc/35/67/37/459356737.db2.gz UALSUTLSTJJGPM-MNOVXSKESA-N -1 0 339.461 3.220 20 30 EGEDRM C=CCCOCCCCC(=O)N=c1nc(-c2ccccc2)[n-]s1 ZINC000539519265 459376733 /nfs/dbraw/zinc/37/67/33/459376733.db2.gz OZIXIEFIYRJNJM-UHFFFAOYSA-N -1 0 331.441 3.329 20 30 EGEDRM C=C(C)COc1cc(CN=c2[n-]nc(C3CC3)s2)ccc1OC ZINC000561979181 459498408 /nfs/dbraw/zinc/49/84/08/459498408.db2.gz VHYLPAPNAFGSBK-UHFFFAOYSA-N -1 0 331.441 3.413 20 30 EGEDRM C[C@H]1CCn2ncc(C([O-])=C(C#N)c3ccc(C(F)(F)F)cn3)c2C1 ZINC000574039530 459771924 /nfs/dbraw/zinc/77/19/24/459771924.db2.gz RIVFGQMCRRXWOE-JQWIXIFHSA-N -1 0 348.328 3.369 20 30 EGEDRM C=C(C)Cn1c(-c2scnc2C)n[n-]c1=Nc1cnn(C(C)C)c1 ZINC000564742507 459776289 /nfs/dbraw/zinc/77/62/89/459776289.db2.gz ZYGZNFSSTPZTSM-UHFFFAOYSA-N -1 0 343.460 3.229 20 30 EGEDRM C[C@@](CNc1nc2c(cc1C#N)CCCC2)(C(=O)[O-])c1ccccc1 ZINC000593327445 459845730 /nfs/dbraw/zinc/84/57/30/459845730.db2.gz NCZWNSDLAWWRAV-FQEVSTJZSA-N -1 0 335.407 3.286 20 30 EGEDRM N#CCc1cccc(C(=O)N2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)[O-])c1 ZINC000598660703 459983102 /nfs/dbraw/zinc/98/31/02/459983102.db2.gz DGKQPLDSOGPKSY-ZWKOTPCHSA-N -1 0 340.423 3.248 20 30 EGEDRM CC(C)(C)C1CCC(C#N)(NC(=O)c2ccc3oc(=O)nc-3[n-]2)CC1 ZINC000597519238 459983744 /nfs/dbraw/zinc/98/37/44/459983744.db2.gz LLUCFJCGVIBOPF-UHFFFAOYSA-N -1 0 342.399 3.157 20 30 EGEDRM N#CCCCC(=O)N=c1nc(-c2ccccc2C(F)(F)F)[n-]s1 ZINC000598770842 460028360 /nfs/dbraw/zinc/02/83/60/460028360.db2.gz ZUOVDKKRQSYTGQ-UHFFFAOYSA-N -1 0 340.330 3.278 20 30 EGEDRM CSc1ccncc1[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000610657449 460206939 /nfs/dbraw/zinc/20/69/39/460206939.db2.gz XFEFVEUZJIOJTK-UHFFFAOYSA-N -1 0 339.829 3.129 20 30 EGEDRM CC(C)[C@H](NC(=O)N=c1[n-]n(C)cc1C#N)c1ccc(Cl)cc1F ZINC000611621304 460416310 /nfs/dbraw/zinc/41/63/10/460416310.db2.gz OAGLOCWXVVSXQN-AWEZNQCLSA-N -1 0 349.797 3.025 20 30 EGEDRM Cc1[n-][nH]c(=NC(=O)C2(Sc3ccc(C)cc3)CCCC2)c1C#N ZINC000601678783 460866122 /nfs/dbraw/zinc/86/61/22/460866122.db2.gz FTLGUFYORZBMGK-UHFFFAOYSA-N -1 0 340.452 3.364 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2sc(C)cc2C)n1 ZINC000601730774 460884998 /nfs/dbraw/zinc/88/49/98/460884998.db2.gz RGFCAHSRSCFGRM-SNVBAGLBSA-N -1 0 334.422 3.488 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)c1cc(Br)cc(C)c1C)C(=O)[O-] ZINC000630321387 461094955 /nfs/dbraw/zinc/09/49/55/461094955.db2.gz IHBPZJIVXFNQRX-CYBMUJFWSA-N -1 0 340.217 3.215 20 30 EGEDRM C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@H](C(=O)[O-])C(C)C ZINC000655890764 461522207 /nfs/dbraw/zinc/52/22/07/461522207.db2.gz QFFSJOJEHDWJEA-LBPRGKRZSA-N -1 0 344.864 3.456 20 30 EGEDRM Cn1cc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)c(C2CC2)n1 ZINC000643777970 461803164 /nfs/dbraw/zinc/80/31/64/461803164.db2.gz FELYEELCIYWGAC-LLVKDONJSA-N -1 0 334.301 3.201 20 30 EGEDRM N#CC(=C([O-])c1cnn2c1CCC2)c1nc2cc(F)ccc2s1 ZINC000651639409 462286157 /nfs/dbraw/zinc/28/61/57/462286157.db2.gz VIRITVMJNDOTGB-SNVBAGLBSA-N -1 0 326.356 3.068 20 30 EGEDRM C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@H](CC)C(=O)[O-] ZINC000649262379 462460467 /nfs/dbraw/zinc/46/04/67/462460467.db2.gz FNVLCZUFENTDAA-JTQLQIEISA-N -1 0 345.317 3.111 20 30 EGEDRM Cc1cc(Cl)ccc1OCC(=O)[N-]S(=O)(=O)c1ccccc1 ZINC000039930243 524901775 /nfs/dbraw/zinc/90/17/75/524901775.db2.gz VFCQDEPFFWSDGR-UHFFFAOYSA-N -1 0 339.800 3.373 20 30 EGEDRM COc1cc(C)c([N-]S(=O)(=O)c2cccc(C)c2C#N)cc1F ZINC000187072791 536606886 /nfs/dbraw/zinc/60/68/86/536606886.db2.gz GIGONFHUPBGRML-UHFFFAOYSA-N -1 0 334.372 3.124 20 30 EGEDRM COc1ccccc1-c1nc(C([O-])=C(C#N)c2ccncn2)cs1 ZINC000680617038 549885884 /nfs/dbraw/zinc/88/58/84/549885884.db2.gz BWFCEVVKEBJPOL-LBPRGKRZSA-N -1 0 336.376 3.099 20 30 EGEDRM CC(C)(C)n1cc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)nn1 ZINC000682990921 550174252 /nfs/dbraw/zinc/17/42/52/550174252.db2.gz AQCIRZROWAUUHM-JTQLQIEISA-N -1 0 343.387 3.272 20 30 EGEDRM Cc1cn2ccnc(C([O-])=C(C#N)c3ccc4ccccc4n3)c2n1 ZINC000683372482 550223087 /nfs/dbraw/zinc/22/30/87/550223087.db2.gz LLMQQPIDPCOUMQ-AWEZNQCLSA-N -1 0 327.347 3.076 20 30 EGEDRM COC(=O)N1CCC[C@@H](/N=C/c2cc(Cl)cc(Cl)c2[O-])C1 ZINC000726429513 574552892 /nfs/dbraw/zinc/55/28/92/574552892.db2.gz OXZYKWJVZVKOQR-RGOWCBCBSA-N -1 0 331.199 3.349 20 30 EGEDRM O=C([O-])c1ccc(C=NNCc2ccc(Br)cc2)cc1 ZINC000726740170 574569407 /nfs/dbraw/zinc/56/94/07/574569407.db2.gz VZKIGXGDAZEDGK-UHFFFAOYSA-N -1 0 333.185 3.271 20 30 EGEDRM Cc1c(C(=O)[O-])oc2c1C(=NNc1cnc3ccccc3n1)CCC2 ZINC000727256617 574656197 /nfs/dbraw/zinc/65/61/97/574656197.db2.gz RTQXAWLFMYQQBU-UHFFFAOYSA-N -1 0 336.351 3.382 20 30 EGEDRM Cc1cc(SC[C@@H](C)C(=O)[O-])n2c3ccccc3nc2c1C#N ZINC000738481592 574726955 /nfs/dbraw/zinc/72/69/55/574726955.db2.gz JOFDRXWMHZCKDZ-LLVKDONJSA-N -1 0 325.393 3.480 20 30 EGEDRM COc1ccc(C(=O)/C=C\c2cccnc2Cl)cc1CC(=O)[O-] ZINC000728700081 574767458 /nfs/dbraw/zinc/76/74/58/574767458.db2.gz LYFPOTARRMFFQP-XQRVVYSFSA-N -1 0 331.755 3.267 20 30 EGEDRM CON=Cc1ccc(C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)cc1 ZINC000737839826 574968196 /nfs/dbraw/zinc/96/81/96/574968196.db2.gz PFNLCFGKYIYTMM-UHFFFAOYSA-N -1 0 341.367 3.029 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2ccc3c(c2)CCC(C)(C)O3)C(=O)O1 ZINC000731563750 575080573 /nfs/dbraw/zinc/08/05/73/575080573.db2.gz TXTSFOSKKHFDJT-JXTAAOLFSA-N -1 0 340.375 3.018 20 30 EGEDRM COc1cc(Cl)ccc1C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737888288 575310099 /nfs/dbraw/zinc/31/00/99/575310099.db2.gz CQQSPIRFAAAKPZ-OAHLLOKOSA-N -1 0 345.738 3.203 20 30 EGEDRM C[C@H]1c2c(c(O)ccc2F)C(=O)/C1=C/c1cccc(OCC(=O)[O-])c1 ZINC000733206800 575320569 /nfs/dbraw/zinc/32/05/69/575320569.db2.gz QNQFCIIGFOHMIJ-SEEODLKFSA-N -1 0 342.322 3.378 20 30 EGEDRM O=C([O-])CCOc1cccc(C=NNc2cc(F)c(F)cc2F)c1 ZINC000734303012 575463978 /nfs/dbraw/zinc/46/39/78/575463978.db2.gz ZVBNBXWYADTYGP-UHFFFAOYSA-N -1 0 338.285 3.403 20 30 EGEDRM C=CCN1C(=O)N[C@@H](c2ccc(OCC(C)C)cc2)C(C(=O)[O-])=C1C ZINC000736106852 575897059 /nfs/dbraw/zinc/89/70/59/575897059.db2.gz MSSNVGYEQSZMRN-KRWDZBQOSA-N -1 0 344.411 3.332 20 30 EGEDRM C=CC[C@H](C)NC(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC000736097208 575899227 /nfs/dbraw/zinc/89/92/27/575899227.db2.gz XXJDGZUAAYEZDU-VIFPVBQESA-N -1 0 346.305 3.412 20 30 EGEDRM C#Cc1cccc(NC(=S)Nc2ccc(OCCC(=O)[O-])cc2)c1 ZINC000736095468 575899259 /nfs/dbraw/zinc/89/92/59/575899259.db2.gz YWQYWKLHDPSHFF-UHFFFAOYSA-N -1 0 340.404 3.330 20 30 EGEDRM C=CCOc1ccccc1C(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000736114330 575900700 /nfs/dbraw/zinc/90/07/00/575900700.db2.gz SNKBQGACKZFBIR-UHFFFAOYSA-N -1 0 340.379 3.314 20 30 EGEDRM CC(C)C(=O)Nc1cccc(N[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000736347189 575941209 /nfs/dbraw/zinc/94/12/09/575941209.db2.gz GBWNTVYNWGRBCH-KRWDZBQOSA-N -1 0 337.379 3.391 20 30 EGEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000736486015 575971189 /nfs/dbraw/zinc/97/11/89/575971189.db2.gz IQPLUKUEHGPRTQ-KBPBESRZSA-N -1 0 330.384 3.175 20 30 EGEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)CCCN(C)C(=O)[O-] ZINC000736545501 575982144 /nfs/dbraw/zinc/98/21/44/575982144.db2.gz QLHMHFRJPIFKSK-GFCCVEGCSA-N -1 0 335.429 3.409 20 30 EGEDRM C[C@H](CC(=O)[O-])S[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000736553743 575983565 /nfs/dbraw/zinc/98/35/65/575983565.db2.gz UEIIIWYITMZCHS-RKDXNWHRSA-N -1 0 338.454 3.032 20 30 EGEDRM C[C@@](NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1)(C(=O)[O-])C1CC1 ZINC000736659747 576000638 /nfs/dbraw/zinc/00/06/38/576000638.db2.gz WQMFXSYUYURECG-FQEVSTJZSA-N -1 0 349.390 3.285 20 30 EGEDRM CCc1ccc(CN=Nc2oc(CC(C)C)nc2-c2nnn[n-]2)s1 ZINC000736681657 576004587 /nfs/dbraw/zinc/00/45/87/576004587.db2.gz DDXIYSZJBHIVIJ-UHFFFAOYSA-N -1 0 345.432 3.123 20 30 EGEDRM C[C@@H](OC(=O)CSc1ccc(C#N)cc1)c1ccc(C(=O)[O-])o1 ZINC000736693232 576007800 /nfs/dbraw/zinc/00/78/00/576007800.db2.gz NNELKXBSNIVKCH-SNVBAGLBSA-N -1 0 331.349 3.246 20 30 EGEDRM CC[C@@H](Cc1ccccc1)C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736904327 576058422 /nfs/dbraw/zinc/05/84/22/576058422.db2.gz SBFGAHCOYGADNB-WMZOPIPTSA-N -1 0 337.375 3.496 20 30 EGEDRM CCOc1ccc(/C=N\[C@H](CC(=O)[O-])c2ccc(OC)cc2)c(O)c1 ZINC000737200416 576134735 /nfs/dbraw/zinc/13/47/35/576134735.db2.gz RZFMKIYOMKENAF-SYERDGIWSA-N -1 0 343.379 3.434 20 30 EGEDRM CCn1cc(/C=C\C(=O)c2cnc3sc(C(=O)[O-])c(C)c3c2)cn1 ZINC000737301804 576201319 /nfs/dbraw/zinc/20/13/19/576201319.db2.gz ATBNPADCVREEOP-PLNGDYQASA-N -1 0 341.392 3.415 20 30 EGEDRM CN(Cc1ccc(NCCOc2ccc(C#N)cc2)cc1)C(=O)[O-] ZINC000737485689 576237061 /nfs/dbraw/zinc/23/70/61/576237061.db2.gz BFYUYBFXUIDRRO-UHFFFAOYSA-N -1 0 325.368 3.159 20 30 EGEDRM Cc1cc(C)c(C#N)c(SCc2cn3cccc(C(=O)[O-])c3n2)n1 ZINC000738350891 576316487 /nfs/dbraw/zinc/31/64/87/576316487.db2.gz FFGSVVCWTYKHIH-UHFFFAOYSA-N -1 0 338.392 3.208 20 30 EGEDRM Cc1cc(N[C@H]2CCCN(C(=O)[O-])C2)n2c3ccccc3nc2c1C#N ZINC000738453292 576328078 /nfs/dbraw/zinc/32/80/78/576328078.db2.gz XZNXPFLBORXEDU-ZDUSSCGKSA-N -1 0 349.394 3.222 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2c(C)cccc2C)n1 ZINC000738705945 576353169 /nfs/dbraw/zinc/35/31/69/576353169.db2.gz LSXHJGGTWITSKG-ZDUSSCGKSA-N -1 0 328.393 3.102 20 30 EGEDRM N#CCN(CC(=O)[O-])C(=O)c1ccc(SCc2ccccc2)cc1 ZINC000739085474 576377245 /nfs/dbraw/zinc/37/72/45/576377245.db2.gz ACNFHQGLNWNRJG-UHFFFAOYSA-N -1 0 340.404 3.029 20 30 EGEDRM N#CCOc1ccc(Cl)cc1COC(=O)c1ccc(C(=O)[O-])cc1 ZINC000739087538 576377397 /nfs/dbraw/zinc/37/73/97/576377397.db2.gz JWSZIHXTXQFFEP-UHFFFAOYSA-N -1 0 345.738 3.298 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)c2ccc3ccccc3c2O)C(=O)[O-])cc1 ZINC000739113961 576378582 /nfs/dbraw/zinc/37/85/82/576378582.db2.gz CZHBVNAVBYENLY-SFHVURJKSA-N -1 0 347.326 3.400 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)c2cccc(OC(F)F)c2)C(=O)[O-])cc1 ZINC000739114850 576378721 /nfs/dbraw/zinc/37/87/21/576378721.db2.gz KXOOIAMVAILCNW-AWEZNQCLSA-N -1 0 347.273 3.142 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)Cc2cccc3cccnc32)C(=O)[O-])cc1 ZINC000739116063 576378775 /nfs/dbraw/zinc/37/87/75/576378775.db2.gz YVKBAEQFRYCJCD-IBGZPJMESA-N -1 0 346.342 3.018 20 30 EGEDRM N#Cc1cccc(OCCCCC(=O)Nc2cccc(C(=O)[O-])c2)c1 ZINC000739140722 576379553 /nfs/dbraw/zinc/37/95/53/576379553.db2.gz ZIFPBMQGZCSATJ-UHFFFAOYSA-N -1 0 338.363 3.444 20 30 EGEDRM N#Cc1cnc(NC[C@H](Cc2cccc(F)c2)C(=O)[O-])c(Cl)c1 ZINC000739142417 576379629 /nfs/dbraw/zinc/37/96/29/576379629.db2.gz LJMGAMAYQKSULT-LBPRGKRZSA-N -1 0 333.750 3.101 20 30 EGEDRM O=C([O-])CN1C/C(=C\c2ccccc2)C(=O)/C(=C\c2ccccc2)C1 ZINC000739799571 576506711 /nfs/dbraw/zinc/50/67/11/576506711.db2.gz VWVLUYUZWDBARY-VHVWWYSBSA-N -1 0 333.387 3.123 20 30 EGEDRM O=C([O-])c1ccc2[nH]cc(CN=Nc3ncnc4sccc43)c2c1 ZINC000740190177 576562444 /nfs/dbraw/zinc/56/24/44/576562444.db2.gz LIOBYFXLHWQYSQ-UHFFFAOYSA-N -1 0 337.364 3.317 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@H](C)c2cccc(C)c2)n1 ZINC000740346144 576578075 /nfs/dbraw/zinc/57/80/75/576578075.db2.gz FBSOFNKTUBOHOF-UKRRQHHQSA-N -1 0 342.420 3.283 20 30 EGEDRM C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1cc(F)ccc1C ZINC000741657184 576708970 /nfs/dbraw/zinc/70/89/70/576708970.db2.gz LFJNCEKKCAMDBG-UHFFFAOYSA-N -1 0 337.347 3.086 20 30 EGEDRM C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(F)c(C)c1 ZINC000741657121 576709074 /nfs/dbraw/zinc/70/90/74/576709074.db2.gz KCBUDAJLEHCHBG-UHFFFAOYSA-N -1 0 337.347 3.086 20 30 EGEDRM C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000741657464 576709159 /nfs/dbraw/zinc/70/91/59/576709159.db2.gz RWAVUBZQSNAASS-UHFFFAOYSA-N -1 0 345.804 3.353 20 30 EGEDRM C=CC[C@@H](NC(=O)c1nn(-c2ccccc2)cc1[O-])c1ccncc1 ZINC000743415082 576808906 /nfs/dbraw/zinc/80/89/06/576808906.db2.gz LUMRMMMKIAFXAZ-MRXNPFEDSA-N -1 0 334.379 3.020 20 30 EGEDRM CCO[C@H](C)c1ncc(C([O-])=C(C#N)C(=O)NC2CCCCC2)s1 ZINC000744027408 576819089 /nfs/dbraw/zinc/81/90/89/576819089.db2.gz SUUUVGUYRLBYET-DGCLKSJQSA-N -1 0 349.456 3.012 20 30 EGEDRM COc1cc(/C=C\C(=O)c2cccc(O[C@H](C)C(=O)[O-])c2)ccc1O ZINC000745021946 576838724 /nfs/dbraw/zinc/83/87/24/576838724.db2.gz VLKTXQPBYAOOER-XYLWRLHESA-N -1 0 342.347 3.149 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@H](C)c2cccc(F)c2)n1 ZINC000745367401 576846551 /nfs/dbraw/zinc/84/65/51/576846551.db2.gz BYFAUMQPPQTPKV-RISCZKNCSA-N -1 0 346.383 3.114 20 30 EGEDRM N#Cc1ccc(CNc2cccc(CC(=O)[O-])c2)c(OC(F)F)c1 ZINC000819100674 596936972 /nfs/dbraw/zinc/93/69/72/596936972.db2.gz ZICVDDUPEFDGBU-UHFFFAOYSA-N -1 0 332.306 3.399 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)OCc1coc(-c2cccc(Cl)c2)n1 ZINC000819873773 597621715 /nfs/dbraw/zinc/62/17/15/597621715.db2.gz CUFIACWTWIAXPL-MRXNPFEDSA-N -1 0 348.742 3.043 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000819821419 597631398 /nfs/dbraw/zinc/63/13/98/597631398.db2.gz GBRRGPGHSPTCJV-WIYYLYMNSA-N -1 0 348.402 3.165 20 30 EGEDRM C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cccc(C(=O)[O-])c1 ZINC000819705782 598150971 /nfs/dbraw/zinc/15/09/71/598150971.db2.gz GDZGBWKMAJVABS-UHFFFAOYSA-N -1 0 345.358 3.134 20 30 EGEDRM Cc1ccc(-c2csc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])n2)cc1C ZINC000821052951 598221943 /nfs/dbraw/zinc/22/19/43/598221943.db2.gz ZFPGZGIBAZSZNP-QGZVFWFLSA-N -1 0 343.408 3.370 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NCCc1cccc(-c2ccccc2)c1 ZINC000819842441 598230417 /nfs/dbraw/zinc/23/04/17/598230417.db2.gz PZHJSOPBGZLBKY-HXUWFJFHSA-N -1 0 336.391 3.017 20 30 EGEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000263493956 600482665 /nfs/dbraw/zinc/48/26/65/600482665.db2.gz PYAUJZOBQWNOHG-CHWSQXEVSA-N -1 0 347.440 3.409 20 30 EGEDRM N#CC1(C(=O)Nc2ncc(Cc3cccc(C(=O)[O-])c3)s2)CCC1 ZINC000739067262 600587038 /nfs/dbraw/zinc/58/70/38/600587038.db2.gz ZMISCRJTRIKBCW-UHFFFAOYSA-N -1 0 341.392 3.064 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)[C@H]2C[C@@H]2C2CCCCC2)C(=O)[O-])cc1 ZINC000833071833 600697327 /nfs/dbraw/zinc/69/73/27/600697327.db2.gz JCQIAESGJQIJFZ-IKGGRYGDSA-N -1 0 327.380 3.444 20 30 EGEDRM N#CCN(CC(=O)[O-])Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000833067545 601003908 /nfs/dbraw/zinc/00/39/08/601003908.db2.gz VJFQBDPVFHSOKL-UHFFFAOYSA-N -1 0 332.306 3.167 20 30 EGEDRM N#Cc1ccccc1/C=C/C(=O)O[C@@H](C(=O)[O-])c1ccccc1F ZINC000833074762 601096188 /nfs/dbraw/zinc/09/61/88/601096188.db2.gz BGCPGPIULCQBLV-OAGJVSPASA-N -1 0 325.295 3.080 20 30 EGEDRM Cc1cccc(C[C@@H](CNc2ccc(Cl)c(C#N)n2)C(=O)[O-])c1 ZINC000832968375 601252059 /nfs/dbraw/zinc/25/20/59/601252059.db2.gz DMKAZHMBCZKICU-ZDUSSCGKSA-N -1 0 329.787 3.271 20 30 EGEDRM COCc1nc2cc(N[C@H](C(=O)[O-])c3cccc(C#N)c3)ccc2o1 ZINC000831831498 601307933 /nfs/dbraw/zinc/30/79/33/601307933.db2.gz KSRCOQAGBZCOGM-KRWDZBQOSA-N -1 0 337.335 3.084 20 30 EGEDRM N#Cc1cccc([C@H](OC(=O)c2cccc(C(F)F)c2)C(=O)[O-])c1 ZINC000833077588 601353306 /nfs/dbraw/zinc/35/33/06/601353306.db2.gz XCJMCZZUEPDVLR-AWEZNQCLSA-N -1 0 331.274 3.479 20 30 EGEDRM N#Cc1ccc([C@@H](Nc2ccc(OCC(F)F)cc2)C(=O)[O-])cc1 ZINC000833071339 601433962 /nfs/dbraw/zinc/43/39/62/601433962.db2.gz FCWPRERVKCDGQK-MRXNPFEDSA-N -1 0 332.306 3.440 20 30 EGEDRM C[C@H](C(=O)[O-])[C@H](NC(=O)Nc1ccc(CC#N)cc1)c1ccccc1 ZINC000826039183 601616154 /nfs/dbraw/zinc/61/61/54/601616154.db2.gz OPAJFDXWERYPQI-GUYCJALGSA-N -1 0 337.379 3.336 20 30 EGEDRM C[C@@H](CNC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)C(=O)[O-] ZINC000827492544 601621109 /nfs/dbraw/zinc/62/11/09/601621109.db2.gz DQUPOVAQMYNEEP-LBPRGKRZSA-N -1 0 339.351 3.193 20 30 EGEDRM Cc1c(C(=O)[O-])c2cc(OC(=O)c3cc(C#N)cs3)ccc2n1C ZINC000832852541 601625552 /nfs/dbraw/zinc/62/55/52/601625552.db2.gz YZVSDMLFXCHNJY-UHFFFAOYSA-N -1 0 340.360 3.337 20 30 EGEDRM CCOc1ccc(C=NOCc2ccc(C(=O)[O-])c(F)c2)cc1OC ZINC000830064175 601628651 /nfs/dbraw/zinc/62/86/51/601628651.db2.gz OXVGGFYZJNLKBZ-UHFFFAOYSA-N -1 0 347.342 3.482 20 30 EGEDRM N#Cc1cc(F)c(C(=O)Oc2ccc(Cl)cc2C(=O)[O-])c(F)c1 ZINC000833069712 601671556 /nfs/dbraw/zinc/67/15/56/601671556.db2.gz NFCHBRSCMNZZSZ-UHFFFAOYSA-N -1 0 337.665 3.407 20 30 EGEDRM C[C@@H](CC#N)Sc1ccccc1NC(=O)NCC(C)(C)C(=O)[O-] ZINC000827217809 601756481 /nfs/dbraw/zinc/75/64/81/601756481.db2.gz JVCKQMJSVVMKOT-NSHDSACASA-N -1 0 335.429 3.313 20 30 EGEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)N1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000827219055 601792380 /nfs/dbraw/zinc/79/23/80/601792380.db2.gz WDILBPVJIWXOAJ-UPJWGTAASA-N -1 0 347.440 3.265 20 30 EGEDRM CC(C)[C@@](C)(C#N)NC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000826676735 601992049 /nfs/dbraw/zinc/99/20/49/601992049.db2.gz KEPJDZTVBLGTCK-CQSZACIVSA-N -1 0 343.305 3.463 20 30 EGEDRM N#Cc1cc(F)ccc1NC(=O)N[C@@H]1CCCCCC[C@H]1C(=O)[O-] ZINC000833069481 602047466 /nfs/dbraw/zinc/04/74/66/602047466.db2.gz ACXORVBVPZSHLK-UKRRQHHQSA-N -1 0 333.363 3.242 20 30 EGEDRM COc1cc(F)c(C(=O)/C=C\c2ccc(C(=O)[O-])cc2)cc1OC ZINC000760271119 602098811 /nfs/dbraw/zinc/09/88/11/602098811.db2.gz YMTOTCLXQXSYCQ-YVMONPNESA-N -1 0 330.311 3.437 20 30 EGEDRM N#Cc1cccc([C@H](OC(=O)c2cccc(Cl)c2F)C(=O)[O-])c1 ZINC000833076998 602100755 /nfs/dbraw/zinc/10/07/55/602100755.db2.gz KKSZOUYLMXKHSE-AWEZNQCLSA-N -1 0 333.702 3.333 20 30 EGEDRM CC[C@H](OC1CCCCC1)C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000829009785 602271543 /nfs/dbraw/zinc/27/15/43/602271543.db2.gz PYJZNYUGIQXXDA-IRXDYDNUSA-N -1 0 345.395 3.355 20 30 EGEDRM Cc1cc(NC(=O)N(CCC#N)Cc2ccccn2)ccc1C(=O)[O-] ZINC000821018665 602277207 /nfs/dbraw/zinc/27/72/07/602277207.db2.gz GSWXGDSLABBPFV-UHFFFAOYSA-N -1 0 338.367 3.036 20 30 EGEDRM CC(C)(C(=O)[O-])[C@H](NC(=O)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000826089028 604374545 /nfs/dbraw/zinc/37/45/45/604374545.db2.gz GUXIHSRMCINGEF-GOSISDBHSA-N -1 0 336.391 3.069 20 30 EGEDRM Cc1cc(N2CCC[C@H]2CC(=O)[O-])n2c3ccccc3nc2c1C#N ZINC000832890508 604469357 /nfs/dbraw/zinc/46/93/57/604469357.db2.gz GZLYHDWXGQTHEM-ZDUSSCGKSA-N -1 0 334.379 3.111 20 30 EGEDRM C=CCCCN(C)C(=O)Nc1cc(C(=O)[O-])ccc1-n1cc(C)cn1 ZINC000833374211 604490752 /nfs/dbraw/zinc/49/07/52/604490752.db2.gz UQVICDNZQIXYFW-UHFFFAOYSA-N -1 0 342.399 3.309 20 30 EGEDRM C#CCN(C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-])C1CCCC1 ZINC000825608767 604533416 /nfs/dbraw/zinc/53/34/16/604533416.db2.gz KIPUIZAOAJPAEQ-QGZVFWFLSA-N -1 0 342.439 3.426 20 30 EGEDRM C[C@H]1CN(Cc2cccc(C(=O)[O-])c2C#N)[C@H](c2ccccc2)CO1 ZINC000833628838 604610521 /nfs/dbraw/zinc/61/05/21/604610521.db2.gz BQYNMXSWXCOFSC-LIRRHRJNSA-N -1 0 336.391 3.218 20 30 EGEDRM COCCOc1ccccc1/C=C/C(=O)c1ccc(C(=O)[O-])cc1 ZINC000831783433 604627376 /nfs/dbraw/zinc/62/73/76/604627376.db2.gz LCVHIENPWHCNLI-ZHACJKMWSA-N -1 0 326.348 3.306 20 30 EGEDRM C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000825681908 604962718 /nfs/dbraw/zinc/96/27/18/604962718.db2.gz MDTLRPKOWSCLFY-UHFFFAOYSA-N -1 0 338.338 3.224 20 30 EGEDRM C=CCC[C@@H](NC(=O)CNC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000833373422 605003203 /nfs/dbraw/zinc/00/32/03/605003203.db2.gz OCZBWIKFPNUOMA-GFCCVEGCSA-N -1 0 330.306 3.097 20 30 EGEDRM CC(C)(C#N)CNC(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000833413121 605095390 /nfs/dbraw/zinc/09/53/90/605095390.db2.gz KBFUJIMEHHBHCV-UHFFFAOYSA-N -1 0 335.429 3.066 20 30 EGEDRM N#CCCN(CC1CC1)C(=O)Nc1scc(C2CC2)c1C(=O)[O-] ZINC000833760426 605140644 /nfs/dbraw/zinc/14/06/44/605140644.db2.gz RLOKSLWZXIJDAW-UHFFFAOYSA-N -1 0 333.413 3.481 20 30 EGEDRM CC(C)(C(=O)[O-])c1ccc(NC(=O)Cc2ccccc2CC#N)cc1 ZINC000833420039 605215497 /nfs/dbraw/zinc/21/54/97/605215497.db2.gz XJBVHARZEDEBQI-UHFFFAOYSA-N -1 0 336.391 3.296 20 30 EGEDRM C[C@@]1(NC(=O)c2ccc(C3(C#N)CC3)cc2)CCCC[C@@H]1C(=O)[O-] ZINC000833567264 605221354 /nfs/dbraw/zinc/22/13/54/605221354.db2.gz KEOSRJZUFTWUBL-CRAIPNDOSA-N -1 0 326.396 3.005 20 30 EGEDRM CC(=NN[C@@H]1CCO[C@@H](C)C1)c1cnc2sc(C(=O)[O-])c(C)c2c1 ZINC000833386450 605581822 /nfs/dbraw/zinc/58/18/22/605581822.db2.gz GKUIDWCKVWHDAS-TVQRCGJNSA-N -1 0 347.440 3.184 20 30 EGEDRM CC(=NNc1cccc(C(=O)[O-])c1)c1cnn(Cc2ccccc2)c1 ZINC000760217268 605593694 /nfs/dbraw/zinc/59/36/94/605593694.db2.gz UOMMIQUYIPLXAR-UHFFFAOYSA-N -1 0 334.379 3.466 20 30 EGEDRM C#CCCCCCC(=O)N(C)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000833361749 605625466 /nfs/dbraw/zinc/62/54/66/605625466.db2.gz JYGQLWMPLRCXFS-MRXNPFEDSA-N -1 0 341.329 3.272 20 30 EGEDRM O=C(C=Cc1cccc(-c2nn[nH]n2)c1)c1cc(Cl)ccc1[O-] ZINC000822928776 606857516 /nfs/dbraw/zinc/85/75/16/606857516.db2.gz MMTVASFKCASHDF-GQCTYLIASA-N -1 0 326.743 3.122 20 30 EGEDRM COc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OCC(=O)[O-] ZINC000007741485 1291087257 /nfs/dbraw/zinc/08/72/57/1291087257.db2.gz FKSMCFBKCUYTPS-KRXBUXKQSA-N -1 0 330.311 3.194 20 30 EGEDRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)Cc1ccc2c(c1)CCCC2 ZINC000042289978 1291439562 /nfs/dbraw/zinc/43/95/62/1291439562.db2.gz ZYWJBMCENYZOGT-UHFFFAOYSA-N -1 0 348.424 3.058 20 30 EGEDRM COc1ccccc1CC(=O)[N-]S(=O)(=O)C=Cc1ccccc1 ZINC000042319515 1291440068 /nfs/dbraw/zinc/44/00/68/1291440068.db2.gz HLOGLZVMBYYHEY-VAWYXSNFSA-N -1 0 331.393 3.195 20 30 EGEDRM Cc1ccc(OCCC(=O)[N-]S(=O)(=O)c2cccs2)c(C)c1 ZINC000048449087 1291605250 /nfs/dbraw/zinc/60/52/50/1291605250.db2.gz CBAPSZQGUVODKZ-UHFFFAOYSA-N -1 0 339.438 3.479 20 30 EGEDRM Cc1ccc(Br)cc1S(=O)(=O)[N-]C(=O)[C@H]1C[C@H]1C ZINC000048487555 1291606448 /nfs/dbraw/zinc/60/64/48/1291606448.db2.gz SQMHYGMFYVCERU-SCZZXKLOSA-N -1 0 332.219 3.059 20 30 EGEDRM CC(=CC(=O)[N-]S(=O)(=O)c1ccccc1Br)C1CC1 ZINC000048519672 1291609136 /nfs/dbraw/zinc/60/91/36/1291609136.db2.gz WOCGCXLVYNYNDH-CMDGGOBGSA-N -1 0 344.230 3.451 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2ccc(Cl)c(Cl)c2)C(=O)O1 ZINC000048520698 1291609177 /nfs/dbraw/zinc/60/91/77/1291609177.db2.gz YGGUNZUKGHNGDN-MFBWXBCUSA-N -1 0 325.147 3.222 20 30 EGEDRM O=C([N-]S(=O)(=O)c1ccccc1F)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000048592521 1291612282 /nfs/dbraw/zinc/61/22/82/1291612282.db2.gz JBPOOBOUGRMUPT-CHWSQXEVSA-N -1 0 337.347 3.414 20 30 EGEDRM O=C([N-]S(=O)(=O)c1ccc2c(c1)CCC2)c1cc(F)ccc1F ZINC000048612848 1291613018 /nfs/dbraw/zinc/61/30/18/1291613018.db2.gz HECYORGTIQMSTK-UHFFFAOYSA-N -1 0 337.347 3.147 20 30 EGEDRM CCCSCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000048616024 1291613413 /nfs/dbraw/zinc/61/34/13/1291613413.db2.gz HZYGGESYPWQALZ-UHFFFAOYSA-N -1 0 327.471 3.354 20 30 EGEDRM CN(Cc1ccccc1)S(=O)(=O)[N-]C(=O)c1ccc(Cl)cc1 ZINC000048676824 1291615745 /nfs/dbraw/zinc/61/57/45/1291615745.db2.gz ICNJMCNVIVXNNO-UHFFFAOYSA-N -1 0 338.816 3.021 20 30 EGEDRM O=C(CCc1ccco1)[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000058039040 1291874658 /nfs/dbraw/zinc/87/46/58/1291874658.db2.gz PTNXOVKCCQOTPP-UHFFFAOYSA-N -1 0 331.393 3.486 20 30 EGEDRM CCc1nc(CC(=O)[N-]S(=O)(=O)C=Cc2ccccc2)cs1 ZINC000066002839 1292103961 /nfs/dbraw/zinc/10/39/61/1292103961.db2.gz KYFYAAVHZOBUHE-CMDGGOBGSA-N -1 0 336.438 3.205 20 30 EGEDRM CSC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000067001201 1292138686 /nfs/dbraw/zinc/13/86/86/1292138686.db2.gz DZQOSTONZUNXMS-MRVPVSSYSA-N -1 0 341.376 3.350 20 30 EGEDRM CC(C)CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000069284117 1292238948 /nfs/dbraw/zinc/23/89/48/1292238948.db2.gz MEDMDJXMHRGPIU-CYBMUJFWSA-N -1 0 339.457 3.272 20 30 EGEDRM COc1cccc2cc(C(=O)[N-]S(=O)(=O)c3ccc(F)cc3)oc21 ZINC000069525474 1292244175 /nfs/dbraw/zinc/24/41/75/1292244175.db2.gz USJOTNPISVIOEI-UHFFFAOYSA-N -1 0 349.339 3.274 20 30 EGEDRM CN(Cc1ccccc1)S(=O)(=O)[N-]C(=O)c1ccc(Cl)s1 ZINC000069643072 1292246854 /nfs/dbraw/zinc/24/68/54/1292246854.db2.gz LQOQMEKUHMQWDV-UHFFFAOYSA-N -1 0 344.845 3.083 20 30 EGEDRM CN(Cc1ccccc1)S(=O)(=O)[N-]C(=O)c1coc2ccccc12 ZINC000073087640 1292305614 /nfs/dbraw/zinc/30/56/14/1292305614.db2.gz WVMYHWFMBBSXDB-UHFFFAOYSA-N -1 0 344.392 3.114 20 30 EGEDRM O=C(CSc1ccncc1)[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000075799632 1292410544 /nfs/dbraw/zinc/41/05/44/1292410544.db2.gz DWSAMQKKLNHKRC-UHFFFAOYSA-N -1 0 348.449 3.008 20 30 EGEDRM CCO[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000075778112 1292411517 /nfs/dbraw/zinc/41/15/17/1292411517.db2.gz PYTHENCRTRRFDY-PSASIEDQSA-N -1 0 338.212 3.064 20 30 EGEDRM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)CC[C@H]2CC[C@H](C)O2)c1 ZINC000076757594 1292440107 /nfs/dbraw/zinc/44/01/07/1292440107.db2.gz DYNDQWZUAZXEPC-UONOGXRCSA-N -1 0 325.430 3.296 20 30 EGEDRM C[C@@H]1CC[C@H](CCC(=O)[N-]S(=O)(=O)c2ccccc2Cl)O1 ZINC000076764980 1292441313 /nfs/dbraw/zinc/44/13/13/1292441313.db2.gz JTAQVVXUQPXJBI-GHMZBOCLSA-N -1 0 331.821 3.333 20 30 EGEDRM N#Cc1c(F)cccc1-n1ccc([N-]S(=O)(=O)C2=CCCCC2)n1 ZINC000829906262 1292640862 /nfs/dbraw/zinc/64/08/62/1292640862.db2.gz GPWYWHVWEPRPKO-UHFFFAOYSA-N -1 0 346.387 3.083 20 30 EGEDRM CC(C)=CC(=O)[N-]S(=O)(=O)c1cc(C)c(Br)s1 ZINC000084852169 1292713781 /nfs/dbraw/zinc/71/37/81/1292713781.db2.gz XJHNVYNHQSUGHZ-UHFFFAOYSA-N -1 0 338.248 3.430 20 30 EGEDRM CCC[C@H](C)CS(=O)(=O)[N-]C(=O)c1cnc([C@@H]2CCCO2)s1 ZINC000089970595 1292782826 /nfs/dbraw/zinc/78/28/26/1292782826.db2.gz YEONDEJDLUITED-QWRGUYRKSA-N -1 0 346.474 3.065 20 30 EGEDRM CC(C)(C)OC(=O)c1ccc(C(=O)Nc2cc(C#N)ccc2[O-])cc1 ZINC000092551847 1292874056 /nfs/dbraw/zinc/87/40/56/1292874056.db2.gz JPPMSIOVVWLESW-UHFFFAOYSA-N -1 0 338.363 3.471 20 30 EGEDRM CC(C)n1cc(/C=C\C(=O)c2cccc(O[C@@H](C)C(=O)[O-])c2)cn1 ZINC000098055919 1292962991 /nfs/dbraw/zinc/96/29/91/1292962991.db2.gz GLSMKCTZWVAPIE-WSROAFLRSA-N -1 0 328.368 3.212 20 30 EGEDRM N#Cc1cccc(/C=C(\C(=O)C(=O)[O-])c2ccc3ccccc3n2)c1 ZINC000834697346 1293133804 /nfs/dbraw/zinc/13/38/04/1293133804.db2.gz JEBNOKKAWDUOFX-WJDWOHSUSA-N -1 0 328.327 3.301 20 30 EGEDRM CC(CCc1ccc(O[C@@H](C)C(=O)[O-])cc1)N=N[C@@H](C)C(F)(F)F ZINC000834999852 1293184681 /nfs/dbraw/zinc/18/46/81/1293184681.db2.gz YODOXXFNIDXKSC-RYUDHWBXSA-N -1 0 346.349 3.387 20 30 EGEDRM CC(=NN[C@H]1CCOC1(C)C)c1cc(Br)c(F)cc1[O-] ZINC000835017622 1293188252 /nfs/dbraw/zinc/18/82/52/1293188252.db2.gz QJQBETITNAYFBK-ZDUSSCGKSA-N -1 0 345.212 3.175 20 30 EGEDRM C=CC(C)(C)C(=O)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000835041676 1293193271 /nfs/dbraw/zinc/19/32/71/1293193271.db2.gz ZMBRTCMOYUSMKL-UHFFFAOYSA-N -1 0 328.242 3.072 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cccc(C(F)(F)F)n1 ZINC000835057273 1293194979 /nfs/dbraw/zinc/19/49/79/1293194979.db2.gz NDPSQHXJJMRNFW-LLVKDONJSA-N -1 0 341.333 3.119 20 30 EGEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)C=C(C)CC ZINC000835077093 1293202034 /nfs/dbraw/zinc/20/20/34/1293202034.db2.gz OIJYRVXRIXOIQG-CHOZFAJLSA-N -1 0 330.384 3.056 20 30 EGEDRM CCC[C@H]1CCC[C@@H]1C(=O)[N-]S(=O)(=O)CC1(C#N)CCCCC1 ZINC000835302286 1293257337 /nfs/dbraw/zinc/25/73/37/1293257337.db2.gz JQFGYCVYTSUGFK-GJZGRUSLSA-N -1 0 340.489 3.123 20 30 EGEDRM Cc1ccccc1/C=C/C(=O)c1ccc([O-])c(CN2CCOCC2)c1 ZINC000119819434 1293289599 /nfs/dbraw/zinc/28/95/99/1293289599.db2.gz IQRZERZGFVGMOE-SOFGYWHQSA-N -1 0 337.419 3.429 20 30 EGEDRM C[C@H](C(=O)C(C#N)=C([O-])c1nccn1C)c1ccc2ccccc2c1 ZINC000123129372 1293434137 /nfs/dbraw/zinc/43/41/37/1293434137.db2.gz JYEHMGYFZIWOTE-SUMWQHHRSA-N -1 0 331.375 3.269 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2cc(N(C)C)ccc2C#N)c(Cl)c1 ZINC000123991402 1293462972 /nfs/dbraw/zinc/46/29/72/1293462972.db2.gz NLHSTUSCIYKYGK-UHFFFAOYSA-N -1 0 349.843 3.387 20 30 EGEDRM Cc1c2cc(Cl)ccc2oc1C([O-])=C(C#N)C(=O)N1CCCC1 ZINC000124567274 1293478711 /nfs/dbraw/zinc/47/87/11/1293478711.db2.gz MNDHDTNOKYSILI-ZDUSSCGKSA-N -1 0 330.771 3.340 20 30 EGEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(-c2ccc(F)cc2)s1 ZINC000124554942 1293478998 /nfs/dbraw/zinc/47/89/98/1293478998.db2.gz NAFYXGUVSWWDPC-AWEZNQCLSA-N -1 0 342.395 3.499 20 30 EGEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1ccc(OC(F)F)cc1 ZINC000127254111 1293556994 /nfs/dbraw/zinc/55/69/94/1293556994.db2.gz ABQUDAIPKYSLDV-AWEZNQCLSA-N -1 0 336.338 3.059 20 30 EGEDRM COCCCOc1cccc(C/N=C/c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000129560763 1293627535 /nfs/dbraw/zinc/62/75/35/1293627535.db2.gz WPKRFONMQCSZOO-CPNJWEJPSA-N -1 0 344.367 3.335 20 30 EGEDRM CC(C)NC(=O)C(C#N)=C([O-])c1csc(-c2ccc(Cl)cc2)n1 ZINC000130737163 1293666618 /nfs/dbraw/zinc/66/66/18/1293666618.db2.gz CXFHHVKWWWULOZ-LBPRGKRZSA-N -1 0 347.827 3.311 20 30 EGEDRM COc1cc(/C=C/C(=O)c2ccc(F)cc2[O-])cc(OC)c1OC ZINC000156719596 1294157273 /nfs/dbraw/zinc/15/72/73/1294157273.db2.gz CGRSMBMEPYHKPJ-QPJJXVBHSA-N -1 0 332.327 3.453 20 30 EGEDRM CC(C)(C)c1ccc(S(=O)(=O)[N-]C(=O)c2ccc(C#N)cc2)s1 ZINC000160519671 1294270324 /nfs/dbraw/zinc/27/03/24/1294270324.db2.gz FBOXCOJYIBITQX-UHFFFAOYSA-N -1 0 348.449 3.036 20 30 EGEDRM Cc1c(C([O-])=C(C#N)C(=O)N2CCCC2)cccc1-c1ccccn1 ZINC000166785149 1294363536 /nfs/dbraw/zinc/36/35/36/1294363536.db2.gz RYTNSIFJKBDIQK-QGZVFWFLSA-N -1 0 333.391 3.002 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(O[C@@H](C)CC)cc1 ZINC000175096467 1294538536 /nfs/dbraw/zinc/53/85/36/1294538536.db2.gz FBAGJLAVHGUULW-YOEHRIQHSA-N -1 0 330.428 3.493 20 30 EGEDRM CCCCCC(C)(C)C(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1 ZINC000175961375 1294581729 /nfs/dbraw/zinc/58/17/29/1294581729.db2.gz CRUQTALBMLGTJL-UHFFFAOYSA-N -1 0 336.457 3.111 20 30 EGEDRM CCOc1ccc(C(=O)CCC(=O)Nc2cc(C#N)ccc2[O-])cc1 ZINC000176819729 1294634075 /nfs/dbraw/zinc/63/40/75/1294634075.db2.gz GREYUIDKNGDQRN-UHFFFAOYSA-N -1 0 338.363 3.264 20 30 EGEDRM Cc1oc(-c2ccccc2)nc1CC(=O)Nc1cc(C#N)ccc1[O-] ZINC000176828003 1294636086 /nfs/dbraw/zinc/63/60/86/1294636086.db2.gz OQGLASDPSWEWKA-UHFFFAOYSA-N -1 0 333.347 3.409 20 30 EGEDRM Cc1cc(C)n(-c2ccc(C(=O)Nc3cc(C#N)ccc3[O-])cc2)n1 ZINC000176832466 1294638105 /nfs/dbraw/zinc/63/81/05/1294638105.db2.gz XPCMQDFEOHZPKP-UHFFFAOYSA-N -1 0 332.363 3.319 20 30 EGEDRM CCCC(=CC(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1)CCC ZINC000181274891 1294952652 /nfs/dbraw/zinc/95/26/52/1294952652.db2.gz JUJXTGRSYOMBJZ-UHFFFAOYSA-N -1 0 334.441 3.031 20 30 EGEDRM C[C@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000183133273 1295101222 /nfs/dbraw/zinc/10/12/22/1295101222.db2.gz DWBXKKHTGSTJHI-SNVBAGLBSA-N -1 0 338.335 3.056 20 30 EGEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)nc2)c1 ZINC000186407861 1295323734 /nfs/dbraw/zinc/32/37/34/1295323734.db2.gz RXQPARMIXIREFT-UHFFFAOYSA-N -1 0 328.180 3.061 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)/C=C(\C)c1ccc(C(F)(F)F)cc1 ZINC000191261041 1295662093 /nfs/dbraw/zinc/66/20/93/1295662093.db2.gz IQWQBQIYUOOCLY-PKNBQFBNSA-N -1 0 327.302 3.208 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)c1ccc(-c2nc3ccccc3s2)o1 ZINC000191255249 1295662670 /nfs/dbraw/zinc/66/26/70/1295662670.db2.gz SWOIDGLGWPXQQV-UHFFFAOYSA-N -1 0 342.376 3.269 20 30 EGEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1cc(Cl)cc(Cl)c1F ZINC000870132693 1295690666 /nfs/dbraw/zinc/69/06/66/1295690666.db2.gz KXCDURGMOFHDQC-SNVBAGLBSA-N -1 0 329.158 3.077 20 30 EGEDRM C[C@H]1CCc2[nH]c3ccc(C([O-])=C(C#N)C(=O)N4CCCC4)cc3c2C1 ZINC000193356131 1295856064 /nfs/dbraw/zinc/85/60/64/1295856064.db2.gz PBADTZAPMCKOIM-SUMWQHHRSA-N -1 0 349.434 3.238 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cn(CC)c2ccccc12 ZINC000193373867 1295858261 /nfs/dbraw/zinc/85/82/61/1295858261.db2.gz DWOCCGQIPBMIHL-OAHLLOKOSA-N -1 0 325.412 3.290 20 30 EGEDRM CCCCCCCC(=O)[N-]S(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000195305084 1296055218 /nfs/dbraw/zinc/05/52/18/1296055218.db2.gz VPURKKKURMCYLL-UHFFFAOYSA-N -1 0 349.456 3.038 20 30 EGEDRM N#CCc1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)cc1 ZINC000195441377 1296068592 /nfs/dbraw/zinc/06/85/92/1296068592.db2.gz DAUPXRXSMNQIIG-UHFFFAOYSA-N -1 0 342.207 3.255 20 30 EGEDRM COc1cc(C)ccc1C(=O)/C=C\c1ccc(OCC(=O)[O-])cc1 ZINC000209440197 1296099875 /nfs/dbraw/zinc/09/98/75/1296099875.db2.gz YWPNZGDMBQYGQE-POHAHGRESA-N -1 0 326.348 3.363 20 30 EGEDRM COc1ccc(-c2n[n-]c(=S)n2N=Cc2ccc(C)o2)cc1OC ZINC000254624436 1296474636 /nfs/dbraw/zinc/47/46/36/1296474636.db2.gz PQIACLNHQCSAGR-UHFFFAOYSA-N -1 0 344.396 3.409 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])c(C=Nc2cc3c(cc2Cl)OCCO3)c1 ZINC000254974154 1296484136 /nfs/dbraw/zinc/48/41/36/1296484136.db2.gz GSYBRVLMMRKHII-UHFFFAOYSA-N -1 0 334.715 3.476 20 30 EGEDRM O=C(Nc1ccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])cc1)C1CC1 ZINC000255154699 1296504142 /nfs/dbraw/zinc/50/41/42/1296504142.db2.gz ZPMIRIJKRHSQNS-UHFFFAOYSA-N -1 0 325.324 3.400 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])c(C=Nc2ccc(O[C@H]3CCOC3)cc2)c1 ZINC000255393680 1296528835 /nfs/dbraw/zinc/52/88/35/1296528835.db2.gz NSPMUIWFSKLPFQ-INIZCTEOSA-N -1 0 328.324 3.219 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])c(/C=N\C2CCN(c3cccs3)CC2)c1 ZINC000255509769 1296539250 /nfs/dbraw/zinc/53/92/50/1296539250.db2.gz AKGQSOWQCFNXRJ-BOPFTXTBSA-N -1 0 331.397 3.450 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2cc(C(F)(F)F)ccc2F)C(=O)O1 ZINC000255506503 1296539750 /nfs/dbraw/zinc/53/97/50/1296539750.db2.gz IBSIJOOFULUSCY-DQWBNOTDSA-N -1 0 342.244 3.073 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])c(C=Nc2cc(F)cc(N3CCOCC3)c2)c1 ZINC000255547797 1296544515 /nfs/dbraw/zinc/54/45/15/1296544515.db2.gz SMVYJEIBUNGTOB-UHFFFAOYSA-N -1 0 345.330 3.027 20 30 EGEDRM O=C(/C=C\c1c(Cl)nc2ccccn12)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000255557951 1296545557 /nfs/dbraw/zinc/54/55/57/1296545557.db2.gz SMTWIHSWKPZLBO-ALCCZGGFSA-N -1 0 343.726 3.498 20 30 EGEDRM COc1ccc([O-])c(C(=O)/C=C\c2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000255740039 1296566025 /nfs/dbraw/zinc/56/60/25/1296566025.db2.gz IGCJNMQHPGHHFH-UTCJRWHESA-N -1 0 329.308 3.214 20 30 EGEDRM [O-]c1c(Br)cc(Br)cc1/C=N\[C@H]1CCOC1 ZINC000255908688 1296579896 /nfs/dbraw/zinc/57/98/96/1296579896.db2.gz ICBPCTUZKIMDAB-HXNQLNRQSA-N -1 0 349.022 3.125 20 30 EGEDRM C=CCC[C@H](NC(=O)c1ccc(NC(=O)CC(C)C)c(C)c1)C(=O)[O-] ZINC000262797925 1296648293 /nfs/dbraw/zinc/64/82/93/1296648293.db2.gz CKIXXLWKHLDSEM-INIZCTEOSA-N -1 0 346.427 3.129 20 30 EGEDRM Cc1nn(C)c2nc(Cl)cc(N=NC3CC[C@H](C(=O)[O-])C[C@H]3C)c12 ZINC000872422733 1296953064 /nfs/dbraw/zinc/95/30/64/1296953064.db2.gz SFUFRYQFIXFNBG-SCZZXKLOSA-N -1 0 349.822 3.219 20 30 EGEDRM C=CCCCCCCNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000320486366 1297165376 /nfs/dbraw/zinc/16/53/76/1297165376.db2.gz HPCWLGPVXDHWSJ-UHFFFAOYSA-N -1 0 330.381 3.149 20 30 EGEDRM O=C1c2c(F)ccc(F)c2OC/C1=C\c1ccc([N+](=O)[O-])c([O-])c1 ZINC000588425790 1298066454 /nfs/dbraw/zinc/06/64/54/1298066454.db2.gz NEHGAOCPVFMPKO-WEVVVXLNSA-N -1 0 333.246 3.237 20 30 EGEDRM O=C1CCc2cc(N=Cc3cc([N+](=O)[O-])ccc3[O-])c(F)cc2N1 ZINC000588523092 1298077928 /nfs/dbraw/zinc/07/79/28/1298077928.db2.gz CLKSAJGOYUDHJY-UHFFFAOYSA-N -1 0 329.287 3.075 20 30 EGEDRM Cc1nnc(N=NC(=CCc2ccccc2)c2ccccc2)[n-]c1=O ZINC000725726009 1298354483 /nfs/dbraw/zinc/35/44/83/1298354483.db2.gz ABODFUWUIAMWBH-DLCGHWKFSA-N -1 0 331.379 3.415 20 30 EGEDRM O=C(/C=C/c1ccc([O-])c([N+](=O)[O-])c1)c1cnn(-c2ccccc2)c1 ZINC000746348260 1298573675 /nfs/dbraw/zinc/57/36/75/1298573675.db2.gz OEXIUISDLRUDKP-SOFGYWHQSA-N -1 0 335.319 3.382 20 30 EGEDRM CN(C)c1nc(C/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])cs1 ZINC000746815368 1298664745 /nfs/dbraw/zinc/66/47/45/1298664745.db2.gz IDLCICAOVNQARA-PJQLUOCWSA-N -1 0 340.792 3.095 20 30 EGEDRM CC(C)Oc1ccc(C(=O)[O-])cc1C(=O)/C=C/c1cn(C(C)C)nn1 ZINC000876498225 1298794903 /nfs/dbraw/zinc/79/49/03/1298794903.db2.gz RWTKXRZRZODQAV-VOTSOKGWSA-N -1 0 343.383 3.241 20 30 EGEDRM Cc1ccc(F)c(NC(=S)NN=Cc2ccc([N+](=O)[O-])c([O-])c2)c1 ZINC000748132935 1298933346 /nfs/dbraw/zinc/93/33/46/1298933346.db2.gz HTOMYEIPRUDHGU-UHFFFAOYSA-N -1 0 348.359 3.068 20 30 EGEDRM CCOc1ccc(OCCCC(=O)Nc2cc(C#N)ccc2[O-])cc1 ZINC000748410963 1299004625 /nfs/dbraw/zinc/00/46/25/1299004625.db2.gz PRJJZEQMXHABPW-UHFFFAOYSA-N -1 0 340.379 3.460 20 30 EGEDRM C[C@H](CC(=O)c1ccccc1F)C(=O)Nc1cc(C#N)ccc1[O-] ZINC000748411110 1299004838 /nfs/dbraw/zinc/00/48/38/1299004838.db2.gz WGSCZKTXCQEEGR-LLVKDONJSA-N -1 0 326.327 3.251 20 30 EGEDRM C[C@@H](CC(=O)c1ccccc1F)C(=O)Nc1cc(C#N)ccc1[O-] ZINC000748411113 1299005157 /nfs/dbraw/zinc/00/51/57/1299005157.db2.gz WGSCZKTXCQEEGR-NSHDSACASA-N -1 0 326.327 3.251 20 30 EGEDRM O=C([O-])C(=O)/C(=C\c1ccc(Cl)nc1)c1ccc2ccccc2n1 ZINC000748993931 1299122643 /nfs/dbraw/zinc/12/26/43/1299122643.db2.gz DUYLDRRZVVUJII-LCYFTJDESA-N -1 0 338.750 3.478 20 30 EGEDRM C[C@@H](CC#N)Sc1ccccc1[N-]C(=S)NC[C@H]1CCOC1 ZINC000749709757 1299258556 /nfs/dbraw/zinc/25/85/56/1299258556.db2.gz ZPICCCPTRFNDCA-QWHCGFSZSA-N -1 0 335.498 3.404 20 30 EGEDRM CC(C)c1ccc(NC(=S)NN=Cc2ccc(C(=O)[O-])[nH]2)cc1 ZINC000749812269 1299277762 /nfs/dbraw/zinc/27/77/62/1299277762.db2.gz LPVWSQNNBAFUNV-UHFFFAOYSA-N -1 0 330.413 3.157 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)C[C@@H]2CCC[C@H](C)C2)n1 ZINC000750239831 1299363231 /nfs/dbraw/zinc/36/32/31/1299363231.db2.gz IBCGCWJDCCVVTM-IACUBPJLSA-N -1 0 334.441 3.387 20 30 EGEDRM CCc1ccc(C(=O)/C=C\c2ccc(OCC(=O)[O-])c(OC)c2)o1 ZINC000752237639 1299713133 /nfs/dbraw/zinc/71/31/33/1299713133.db2.gz HTCPKILCBIXDTK-DAXSKMNVSA-N -1 0 330.336 3.210 20 30 EGEDRM CCn1c(=O)c2ccccc2nc1NN=Cc1cccc(Cl)c1[O-] ZINC000753161575 1299885894 /nfs/dbraw/zinc/88/58/94/1299885894.db2.gz JELUPELWLMQQLD-UHFFFAOYSA-N -1 0 342.786 3.221 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1NN=Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000756901068 1300585482 /nfs/dbraw/zinc/58/54/82/1300585482.db2.gz ILOPNNIBPSLDHZ-UHFFFAOYSA-N -1 0 349.730 3.401 20 30 EGEDRM COc1ccc(C(=O)/C=C\c2ccc(OCC#N)c(OC)c2)c([O-])c1 ZINC000757472003 1300673395 /nfs/dbraw/zinc/67/33/95/1300673395.db2.gz KIODYOKLUMGTDF-CLTKARDFSA-N -1 0 339.347 3.208 20 30 EGEDRM COc1cccc2c1C/C(=C/c1cccc(O[C@H](C)C(=O)[O-])c1)C2=O ZINC000759667253 1301137578 /nfs/dbraw/zinc/13/75/78/1301137578.db2.gz WZRFLSNRILJRKB-OJLMPMFISA-N -1 0 338.359 3.370 20 30 EGEDRM Cc1ccc(-c2nc(C(=O)Nc3cc(C#N)ccc3[O-])cs2)n1C ZINC000759713318 1301146718 /nfs/dbraw/zinc/14/67/18/1301146718.db2.gz KZUCPHQJIJHEOX-UHFFFAOYSA-N -1 0 338.392 3.287 20 30 EGEDRM COc1cc(F)c(C(=O)/C=C\c2ccc([N+](=O)[O-])c([O-])c2)cc1OC ZINC000760270244 1301242919 /nfs/dbraw/zinc/24/29/19/1301242919.db2.gz NPQYXTXKTGILDE-XQRVVYSFSA-N -1 0 347.298 3.353 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2csc(Cl)c2Cl)C(=O)O1 ZINC000761476088 1301479270 /nfs/dbraw/zinc/47/92/70/1301479270.db2.gz RCTJSVLUHJUTOA-ZMWSMAPVSA-N -1 0 331.176 3.283 20 30 EGEDRM CC(=NNCC(F)F)c1cc(Br)cc(Cl)c1[O-] ZINC000764690759 1302118654 /nfs/dbraw/zinc/11/86/54/1302118654.db2.gz VYBVVJXXRYDDSI-UHFFFAOYSA-N -1 0 327.556 3.387 20 30 EGEDRM O=C([O-])c1csc(/C=C2\S/C(=N\C3CCCCC3)NC2=O)c1 ZINC000765823444 1302336027 /nfs/dbraw/zinc/33/60/27/1302336027.db2.gz FFSZYLLTKPSWGH-GHXNOFRVSA-N -1 0 336.438 3.339 20 30 EGEDRM O=C(C=Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1sccc1[O-] ZINC000773142777 1303633162 /nfs/dbraw/zinc/63/31/62/1303633162.db2.gz FLRYGYFBBJBZJE-OWOJBTEDSA-N -1 0 333.321 3.029 20 30 EGEDRM COc1ccc(NC(=O)C(C#N)=C([O-])c2cc(C)sn2)cc1Cl ZINC000774052129 1303768636 /nfs/dbraw/zinc/76/86/36/1303768636.db2.gz KUQQWZYMIYFTQI-JTQLQIEISA-N -1 0 349.799 3.075 20 30 EGEDRM CCc1cnccc1C(=O)/C=C/c1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000776192355 1304110057 /nfs/dbraw/zinc/11/00/57/1304110057.db2.gz PCOTYCVLNDNZQN-SBDDDAINSA-N -1 0 325.364 3.392 20 30 EGEDRM COc1cccc(OC)c1/C=C\C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000776190796 1304110691 /nfs/dbraw/zinc/11/06/91/1304110691.db2.gz YYBQEKDUNBIEOQ-CLFYSBASSA-N -1 0 329.308 3.214 20 30 EGEDRM CC[C@H](C)Oc1cc(C/N=C/c2cc([N+](=O)[O-])ccc2[O-])ccn1 ZINC000776725297 1304187999 /nfs/dbraw/zinc/18/79/99/1304187999.db2.gz IXBQGWNTCWEMHN-HWQJWEFDSA-N -1 0 329.356 3.492 20 30 EGEDRM O=C(/C=C/c1ccc([N+](=O)[O-])cc1F)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000777920565 1304366400 /nfs/dbraw/zinc/36/64/00/1304366400.db2.gz OZUKARQMPALOFD-GORDUTHDSA-N -1 0 332.243 3.244 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@H]2C[C@H](C)C[C@H](C)C2)n1 ZINC000780232248 1304659377 /nfs/dbraw/zinc/65/93/77/1304659377.db2.gz KOTJXFXUQHWLTK-UVLXDEKHSA-N -1 0 334.441 3.243 20 30 EGEDRM Cc1c(C(=O)/C=C\c2cc(C(=O)[O-])cs2)nnn1-c1ccccc1 ZINC000782199117 1304930242 /nfs/dbraw/zinc/93/02/42/1304930242.db2.gz BKTRQWYPYZOJEW-FPLPWBNLSA-N -1 0 339.376 3.232 20 30 EGEDRM CCOC(=O)Cc1ccc(C(=O)/C=C\c2cc(C(=O)[O-])cs2)cc1 ZINC000782201715 1304930387 /nfs/dbraw/zinc/93/03/87/1304930387.db2.gz XTLLHIKFFIKGOB-FPLPWBNLSA-N -1 0 344.388 3.448 20 30 EGEDRM Cc1nc(C(C)C)ncc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000892419777 1305363398 /nfs/dbraw/zinc/36/33/98/1305363398.db2.gz HQLDLRNGYLXVBB-CYBMUJFWSA-N -1 0 333.395 3.285 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1nc(Cl)sc1C ZINC000892465625 1305387825 /nfs/dbraw/zinc/38/78/25/1305387825.db2.gz TYOFYNGRLKTFNY-JTQLQIEISA-N -1 0 327.837 3.124 20 30 EGEDRM N#CC(C(=O)NCc1ccc(F)cc1F)=C([O-])c1cccc(Cl)c1 ZINC000786561172 1305599367 /nfs/dbraw/zinc/59/93/67/1305599367.db2.gz OEQDWJMXGJGVQT-CQSZACIVSA-N -1 0 348.736 3.257 20 30 EGEDRM CCc1ccc(C([O-])=C(C#N)C(=O)NCc2ccc(F)c(F)c2)cc1 ZINC000786567854 1305600934 /nfs/dbraw/zinc/60/09/34/1305600934.db2.gz FHAOLTXOVHMVEV-HNNXBMFYSA-N -1 0 342.345 3.166 20 30 EGEDRM CCc1ncc(C([O-])=C(C#N)C(=O)N[C@H](CC)c2ccccc2)s1 ZINC000787040535 1305681468 /nfs/dbraw/zinc/68/14/68/1305681468.db2.gz LXXVNYXNRUOVTE-UONOGXRCSA-N -1 0 341.436 3.295 20 30 EGEDRM O=C([O-])[C@@H]1CCC(N=Nc2ncnc3sccc32)c2ccccc21 ZINC000788981092 1306056751 /nfs/dbraw/zinc/05/67/51/1306056751.db2.gz PGEHIHAKKWPRJW-GFCCVEGCSA-N -1 0 338.392 3.470 20 30 EGEDRM CCCCCCCC(=O)[N-]S(=O)(=O)c1cc(C)c(OC)cc1C ZINC000789523962 1306176776 /nfs/dbraw/zinc/17/67/76/1306176776.db2.gz BWERPXDYIAKQLV-UHFFFAOYSA-N -1 0 341.473 3.477 20 30 EGEDRM C#CCn1ccc(CN(CC)C(=O)c2ccc(C(C)C)cc2O)n1 ZINC000790118443 1306262737 /nfs/dbraw/zinc/26/27/37/1306262737.db2.gz ZTGYACXQUJNTAB-UHFFFAOYSA-N -1 0 325.412 3.008 20 30 EGEDRM CC[C@@H](NN=C(C)c1ccc(Br)cc1Cl)C(=O)[O-] ZINC000793055744 1309288184 /nfs/dbraw/zinc/28/81/84/1309288184.db2.gz OOXGRIUGTMEHKI-LLVKDONJSA-N -1 0 333.613 3.279 20 30 EGEDRM CC[C@@H](NN=C1CCc2c1cc(Br)cc2Cl)C(=O)[O-] ZINC000793073264 1309290541 /nfs/dbraw/zinc/29/05/41/1309290541.db2.gz ZURCDYYENNHRQQ-LLVKDONJSA-N -1 0 345.624 3.206 20 30 EGEDRM CC[C@H](NN=Cc1ccc(OCc2ccccc2)c(OC)c1)C(=O)[O-] ZINC000793080445 1309292772 /nfs/dbraw/zinc/29/27/72/1309292772.db2.gz ZEFJGTQUZSWEHV-INIZCTEOSA-N -1 0 342.395 3.061 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])c(/C=N/[C@@H]2CCN(c3ccccc3F)C2)c1 ZINC000793666497 1309425307 /nfs/dbraw/zinc/42/53/07/1309425307.db2.gz FSCOVZXSXLNDDC-BUESGFEBSA-N -1 0 329.331 3.137 20 30 EGEDRM C=CCCCS(=O)(=O)[N-]c1c(C(=O)OC)ccc2ccccc21 ZINC000794029157 1309466223 /nfs/dbraw/zinc/46/62/23/1309466223.db2.gz NDHFZRXMOZUYAR-UHFFFAOYSA-N -1 0 333.409 3.334 20 30 EGEDRM COc1cc(OC)c(/C=C\C(=O)c2ccc(O)cc2[O-])c(OC)c1 ZINC000794703245 1309578196 /nfs/dbraw/zinc/57/81/96/1309578196.db2.gz UESUNKIGVUSUHJ-SREVYHEPSA-N -1 0 330.336 3.020 20 30 EGEDRM CCc1cccc2c1OC/C(=C\c1cccc(OCC(=O)[O-])c1)C2=O ZINC000794729142 1309584758 /nfs/dbraw/zinc/58/47/58/1309584758.db2.gz YILPCDNYOHLLMZ-OQLLNIDSSA-N -1 0 338.359 3.371 20 30 EGEDRM C[C@H](Oc1ccc(/C=C2\COc3cc(F)ccc3C2=O)cc1)C(=O)[O-] ZINC000794728425 1309585205 /nfs/dbraw/zinc/58/52/05/1309585205.db2.gz PODXXOINQMNWPM-ZWSXMNCCSA-N -1 0 342.322 3.336 20 30 EGEDRM Cc1c(NN=Cc2ccc(O[C@H](C)C(=O)[O-])cc2)cccc1[N+](=O)[O-] ZINC000794904595 1309620387 /nfs/dbraw/zinc/62/03/87/1309620387.db2.gz LIEGEMXADKOUFD-GFCCVEGCSA-N -1 0 343.339 3.201 20 30 EGEDRM C[C@H](Oc1ccc(C=NNc2ccc(F)c([N+](=O)[O-])c2)cc1)C(=O)[O-] ZINC000794931632 1309624070 /nfs/dbraw/zinc/62/40/70/1309624070.db2.gz ZPUSQNLPVUUASH-JTQLQIEISA-N -1 0 347.302 3.032 20 30 EGEDRM O=C([O-])CCOc1ccc(/C=C2/CCc3ccc(O)cc3C2=O)cc1 ZINC000794960092 1309633173 /nfs/dbraw/zinc/63/31/73/1309633173.db2.gz KNCXKQCWGAHAFP-PTNGSMBKSA-N -1 0 338.359 3.458 20 30 EGEDRM O=C([O-])CCOc1cccc(/C=C2/CCc3ccc(O)cc3C2=O)c1 ZINC000794960829 1309633525 /nfs/dbraw/zinc/63/35/25/1309633525.db2.gz XGUSTWOHYHCSMP-GDNBJRDFSA-N -1 0 338.359 3.458 20 30 EGEDRM C=CCC(CC=C)C(=O)[N-]S(=O)(=O)c1cc(C(C)=O)c(C)cc1C ZINC000797188454 1310154369 /nfs/dbraw/zinc/15/43/69/1310154369.db2.gz CSNZDXGXVIFXSZ-UHFFFAOYSA-N -1 0 349.452 3.079 20 30 EGEDRM C=CCC[C@@H](C(=O)[N-]S(=O)(=O)CCC(F)(F)F)c1ccccc1 ZINC000797256000 1310164554 /nfs/dbraw/zinc/16/45/54/1310164554.db2.gz XYCHWUNTRLSRIL-CYBMUJFWSA-N -1 0 349.374 3.135 20 30 EGEDRM CC(C)c1c(Cl)ncnc1N=NCc1ccc(OCC(=O)[O-])cc1 ZINC000797405313 1310184935 /nfs/dbraw/zinc/18/49/35/1310184935.db2.gz PZRRVHORVSWQRO-UHFFFAOYSA-N -1 0 348.790 3.163 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)NCc1cccc(-c2cccc(C)c2)c1 ZINC000797719074 1310237042 /nfs/dbraw/zinc/23/70/42/1310237042.db2.gz YJAIKSFSKGBQTP-UHFFFAOYSA-N -1 0 338.407 3.444 20 30 EGEDRM N#Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000798212346 1310317665 /nfs/dbraw/zinc/31/76/65/1310317665.db2.gz YSMQOLVOEQHCBK-UHFFFAOYSA-N -1 0 328.180 3.061 20 30 EGEDRM CC[C@](O)(C(=O)Nc1cc(C#N)ccc1[O-])c1cccc(Cl)c1 ZINC000800525253 1310777976 /nfs/dbraw/zinc/77/79/76/1310777976.db2.gz UCENMZIDEMFDBV-QGZVFWFLSA-N -1 0 330.771 3.154 20 30 EGEDRM C#Cc1cccc([N-]S(=O)(=O)c2cc3c(cc2Cl)CCC3=O)c1 ZINC000800833186 1310815478 /nfs/dbraw/zinc/81/54/78/1310815478.db2.gz XJUWWJOQKTZGLQ-UHFFFAOYSA-N -1 0 345.807 3.251 20 30 EGEDRM CCCOc1cccc(C=Nn2c(=O)c3ccccc3[n-]c2=S)c1 ZINC000917540983 1319831922 /nfs/dbraw/zinc/83/19/22/1319831922.db2.gz IRGDFTNSDCYTCF-UHFFFAOYSA-N -1 0 339.420 3.356 20 30 EGEDRM C=CCC(C)(C)C(=O)[N-]S(=O)(=O)Cc1c(F)cccc1Cl ZINC000839028820 1320852845 /nfs/dbraw/zinc/85/28/45/1320852845.db2.gz AONSFXPOFLNPJE-UHFFFAOYSA-N -1 0 333.812 3.027 20 30 EGEDRM C[C@H](Oc1ccc(/C=C\C(=O)c2ccnn2C2CCC2)cc1)C(=O)[O-] ZINC000899397832 1317019485 /nfs/dbraw/zinc/01/94/85/1317019485.db2.gz VTSJBJFWTXIPDL-SZNGSJQDSA-N -1 0 340.379 3.356 20 30 EGEDRM C[C@@H](CCc1ccc2c(c1)OCO2)NN=Cc1cc(F)c([O-])c(F)c1 ZINC000802713888 1317028450 /nfs/dbraw/zinc/02/84/50/1317028450.db2.gz XPIVQKBLARAKEN-NSHDSACASA-N -1 0 348.349 3.344 20 30 EGEDRM N#Cc1ccc(NC2CC2)c(NC(=O)c2n[n-]c3ccccc3c2=O)c1 ZINC000803320416 1317106433 /nfs/dbraw/zinc/10/64/33/1317106433.db2.gz VBNDACBKVBYBPJ-UHFFFAOYSA-N -1 0 345.362 3.034 20 30 EGEDRM C#C[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccc(Cl)cc1F ZINC000804419685 1317232711 /nfs/dbraw/zinc/23/27/11/1317232711.db2.gz TWHBHXAYFUSKNF-ZDUSSCGKSA-N -1 0 348.717 3.197 20 30 EGEDRM C#C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccc(Cl)cc1F ZINC000804419684 1317232837 /nfs/dbraw/zinc/23/28/37/1317232837.db2.gz TWHBHXAYFUSKNF-CYBMUJFWSA-N -1 0 348.717 3.197 20 30 EGEDRM C#CC[C@@H](NC(=O)Nc1ccc(SC(C)(C)C)cc1C)C(=O)[O-] ZINC000900332648 1317275186 /nfs/dbraw/zinc/27/51/86/1317275186.db2.gz DDUZHVFNWWPDST-CQSZACIVSA-N -1 0 334.441 3.484 20 30 EGEDRM C=CCC(CC=C)C(=O)[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000809008963 1317758488 /nfs/dbraw/zinc/75/84/88/1317758488.db2.gz NASCCTIJGQQQGF-UHFFFAOYSA-N -1 0 349.786 3.192 20 30 EGEDRM CCc1c(C([O-])=C(C#N)C(=O)N[C@@H](CC)c2ccccc2)ccn1C ZINC000810710918 1318046837 /nfs/dbraw/zinc/04/68/37/1318046837.db2.gz WUZNIVQYHOPYHG-SJORKVTESA-N -1 0 337.423 3.177 20 30 EGEDRM C#CCCS(=O)(=O)[N-]C(=O)c1cc(-c2ccccc2)ccc1Cl ZINC000810782032 1318056562 /nfs/dbraw/zinc/05/65/62/1318056562.db2.gz JWINMADDKPWKBT-UHFFFAOYSA-N -1 0 347.823 3.090 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)C[C@H](C)c2ccc(F)cc2F)CC1 ZINC000810980808 1318085829 /nfs/dbraw/zinc/08/58/29/1318085829.db2.gz FWWLJVPQOHOUBL-NSHDSACASA-N -1 0 343.395 3.013 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2cc3cc(F)ccc3s2)CC1 ZINC000810983938 1318086296 /nfs/dbraw/zinc/08/62/96/1318086296.db2.gz MMURZLOORYMPGV-UHFFFAOYSA-N -1 0 339.413 3.209 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)/C=C/c2cc(C)c(C)cc2C)CC1 ZINC000810986257 1318086333 /nfs/dbraw/zinc/08/63/33/1318086333.db2.gz STHDJBPVGUTGLG-VOTSOKGWSA-N -1 0 333.453 3.180 20 30 EGEDRM COc1ccc(C(=O)/C=C\c2cccc(OCCC(=O)[O-])c2)cc1O ZINC000811697522 1318229517 /nfs/dbraw/zinc/22/95/17/1318229517.db2.gz DZAFKTHJTYXNBQ-ALCCZGGFSA-N -1 0 342.347 3.150 20 30 EGEDRM C#C[C@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000812352914 1318373162 /nfs/dbraw/zinc/37/31/62/1318373162.db2.gz YBZMEVFYVXGGQF-HNNXBMFYSA-N -1 0 330.727 3.058 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])c(/C=N/C[C@H]2CCN(c3ccccc3F)C2)c1 ZINC000812444403 1318394387 /nfs/dbraw/zinc/39/43/87/1318394387.db2.gz GIMRYYNZYFJYTI-AYPRBGQRSA-N -1 0 343.358 3.385 20 30 EGEDRM O=c1c2ccccc2[n-]c(=S)n1N=Cc1ccc2ccccc2c1O ZINC000814781074 1318814306 /nfs/dbraw/zinc/81/43/06/1318814306.db2.gz VMIJFUDPXWZPRC-UHFFFAOYSA-N -1 0 347.399 3.426 20 30 EGEDRM CC(=NNCCCc1ccccc1)c1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000814837851 1318829129 /nfs/dbraw/zinc/82/91/29/1318829129.db2.gz OCNUJNWKZCDMRB-MRXNPFEDSA-N -1 0 340.423 3.485 20 30 EGEDRM CC(N=Nc1ccc(C(F)(F)F)nn1)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C ZINC000814887565 1318840076 /nfs/dbraw/zinc/84/00/76/1318840076.db2.gz KPWLPOXUIXSQGP-ZJUUUORDSA-N -1 0 344.337 3.420 20 30 EGEDRM Cc1ccc2c(c1)oc(C(C)N=Nc1ncc(F)cn1)c2CC(=O)[O-] ZINC000814889432 1318841909 /nfs/dbraw/zinc/84/19/09/1318841909.db2.gz LXJGJJWCVRNPKJ-UHFFFAOYSA-N -1 0 342.330 3.134 20 30 EGEDRM CC(=NNc1ccc2n[nH]cc2c1)c1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000814900244 1318842911 /nfs/dbraw/zinc/84/29/11/1318842911.db2.gz JZAPUCDLDUTNPO-GFCCVEGCSA-N -1 0 338.367 3.251 20 30 EGEDRM CC(CCc1ccc(O[C@@H](C)C(=O)[O-])cc1)=NOC1CCOCC1 ZINC000814906292 1318843749 /nfs/dbraw/zinc/84/37/49/1318843749.db2.gz NWLZXIWBCHIHHK-AWEZNQCLSA-N -1 0 335.400 3.043 20 30 EGEDRM CC(CCc1ccc(O[C@@H](C)C(=O)[O-])cc1)=NNCCC(F)(F)F ZINC000814920740 1318849266 /nfs/dbraw/zinc/84/92/66/1318849266.db2.gz UWOJEXFIQMIHMS-LBPRGKRZSA-N -1 0 346.349 3.389 20 30 EGEDRM CC(=NNc1ccc2c(cc[nH]c2=O)c1)c1csc(C(=O)[O-])c1 ZINC000814924639 1318850144 /nfs/dbraw/zinc/85/01/44/1318850144.db2.gz VZDYMWDPHWSAGQ-UHFFFAOYSA-N -1 0 327.365 3.124 20 30 EGEDRM CC(N=Nc1ccc(F)c(F)c1F)c1cccc(OCC(=O)[O-])c1 ZINC000814945450 1318856839 /nfs/dbraw/zinc/85/68/39/1318856839.db2.gz XGCMCEPTWHVTNY-UHFFFAOYSA-N -1 0 338.285 3.403 20 30 EGEDRM CCn1nc(C)c(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)n1 ZINC000815913700 1319073503 /nfs/dbraw/zinc/07/35/03/1319073503.db2.gz YZRBGZFROUFIKP-SNVBAGLBSA-N -1 0 345.815 3.360 20 30 EGEDRM O=[N+]([O-])c1cc(Cl)cc(C=NNc2nncc3ccccc32)c1[O-] ZINC000915909494 1319559481 /nfs/dbraw/zinc/55/94/81/1319559481.db2.gz KUXGNDNYWVPQNV-UHFFFAOYSA-N -1 0 343.730 3.343 20 30 EGEDRM COc1cccc(C=NNc2ccc(C(=O)[O-])cc2)c1OC(F)F ZINC000916240929 1319623455 /nfs/dbraw/zinc/62/34/55/1319623455.db2.gz WSJGZSKESNXUPD-UHFFFAOYSA-N -1 0 336.294 3.441 20 30 EGEDRM CC(=NNc1nnc(C)c(=O)[n-]1)c1cc(F)c(Cl)cc1Cl ZINC000916282625 1319631548 /nfs/dbraw/zinc/63/15/48/1319631548.db2.gz LVANDYDKOANWNP-UHFFFAOYSA-N -1 0 330.150 3.168 20 30 EGEDRM FC(F)Oc1ccccc1C=Nn1c(=S)[n-]nc1C(F)(F)F ZINC000916304878 1319636120 /nfs/dbraw/zinc/63/61/20/1319636120.db2.gz FYIFIYZWZPZGEY-UHFFFAOYSA-N -1 0 338.261 3.069 20 30 EGEDRM C=CCNC(=S)NN=C(CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000916581224 1319677588 /nfs/dbraw/zinc/67/75/88/1319677588.db2.gz UGZWQWOELGKXHV-UHFFFAOYSA-N -1 0 332.256 3.463 20 30 EGEDRM CCCCCCCC(=O)[N-]S(=O)(=O)c1cccc(C(C)=O)c1 ZINC000916794164 1319708992 /nfs/dbraw/zinc/70/89/92/1319708992.db2.gz ZFKIGAPISPFOFC-UHFFFAOYSA-N -1 0 325.430 3.055 20 30 EGEDRM CCCCCCCCC(=O)[N-]S(=O)(=O)c1cccc(C(C)=O)c1 ZINC000916792149 1319709066 /nfs/dbraw/zinc/70/90/66/1319709066.db2.gz BQEOMPNXJSVXIP-UHFFFAOYSA-N -1 0 339.457 3.445 20 30 EGEDRM CC(C)=CCC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000842676632 1321416874 /nfs/dbraw/zinc/41/68/74/1321416874.db2.gz DNUGYAUMJPBOIJ-CQSZACIVSA-N -1 0 334.441 3.136 20 30 EGEDRM CCCc1ccc(CCCC(=O)C(C#N)=C([O-])c2nccn2C)cc1 ZINC000842739436 1321426352 /nfs/dbraw/zinc/42/63/52/1321426352.db2.gz AFRNBSICSLDVSJ-QGZVFWFLSA-N -1 0 337.423 3.287 20 30 EGEDRM C=C(C)CO[N-]C(=O)C(=O)Nc1ccc(SC2CCCC2)cc1 ZINC000846146905 1321772244 /nfs/dbraw/zinc/77/22/44/1321772244.db2.gz SEBOXUHSZFZANY-UHFFFAOYSA-N -1 0 334.441 3.284 20 30 EGEDRM CCOC(=O)[C@@H]1CCC(N=Nc2ccc(CC(=O)[O-])cc2)[C@@H](C)C1 ZINC000848415341 1321958403 /nfs/dbraw/zinc/95/84/03/1321958403.db2.gz ZSISHMVYBUDJOB-GXTWGEPZSA-N -1 0 332.400 3.081 20 30 EGEDRM CCCOc1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)c(C)c1 ZINC000849241769 1322099956 /nfs/dbraw/zinc/09/99/56/1322099956.db2.gz NAVRRIXYSJXOGJ-JHTBKMLMSA-N -1 0 328.364 3.012 20 30 EGEDRM C[C@@H](Oc1cccc(C(=O)/C=C\c2c(C3CC3)cnn2C)c1)C(=O)[O-] ZINC000849245337 1322101008 /nfs/dbraw/zinc/10/10/08/1322101008.db2.gz HEWKEXFQBNVCJI-JLVNDZCYSA-N -1 0 340.379 3.046 20 30 EGEDRM Cn1cc(C([O-])=C(C#N)c2nc3ccccc3o2)c(C(F)(F)F)n1 ZINC000920115845 1322138879 /nfs/dbraw/zinc/13/88/79/1322138879.db2.gz MHGLGBDRTDFGLJ-QMMMGPOBSA-N -1 0 334.257 3.070 20 30 EGEDRM CC(C)(C)c1ncc(C=Nn2c(=S)[n-]nc2C(F)(F)F)s1 ZINC000920360635 1322168146 /nfs/dbraw/zinc/16/81/46/1322168146.db2.gz DLTAYLNEHHSJRC-UHFFFAOYSA-N -1 0 335.380 3.222 20 30 EGEDRM CCOC(=O)C[C@@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000920834199 1322227792 /nfs/dbraw/zinc/22/77/92/1322227792.db2.gz ZGCHUVHRASDKAU-BKAYVGFPSA-N -1 0 342.351 3.414 20 30 EGEDRM N#CC1(CC(=O)[N-]S(=O)(=O)c2ccc(Cl)s2)CCCCC1 ZINC000850732482 1322279638 /nfs/dbraw/zinc/27/96/38/1322279638.db2.gz WJKCKWOMSMKVKH-UHFFFAOYSA-N -1 0 346.861 3.071 20 30 EGEDRM CCCCCCCC[C@H](C)C(=O)[N-]S(=O)(=O)Cc1cccnc1 ZINC000850939531 1322314066 /nfs/dbraw/zinc/31/40/66/1322314066.db2.gz WMTIDFAQGNACCX-HNNXBMFYSA-N -1 0 340.489 3.414 20 30 EGEDRM C#CCCCC(=O)O[C@@H]1C[C@@H]([N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000851176758 1322345035 /nfs/dbraw/zinc/34/50/35/1322345035.db2.gz CHZCHUFVGIUUMY-ZIAGYGMSSA-N -1 0 339.313 3.198 20 30 EGEDRM CC[C@](C)(C#N)C(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000923106750 1322693699 /nfs/dbraw/zinc/69/36/99/1322693699.db2.gz JOBGMDVCGRTNLB-CYBMUJFWSA-N -1 0 325.162 3.026 20 30 EGEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])C=Cc2ccc(C(N)=O)o2)s1 ZINC000853121508 1325051572 /nfs/dbraw/zinc/05/15/72/1325051572.db2.gz GBEWDDPHLXUYNQ-DUMNWFOQSA-N -1 0 343.408 3.022 20 30 EGEDRM CC[C@H](NN=C(C)c1ccc2cc(OC)c(OC)cc2c1)C(=O)[O-] ZINC000853349365 1325083574 /nfs/dbraw/zinc/08/35/74/1325083574.db2.gz YZOPGAFXGCHYTE-HNNXBMFYSA-N -1 0 330.384 3.034 20 30 EGEDRM C[C@@H]1CCN(c2cc(Cl)ccc2C#N)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000853989794 1325198083 /nfs/dbraw/zinc/19/80/83/1325198083.db2.gz SDGVZJBSHZUPTA-SKDRFNHKSA-N -1 0 345.752 3.105 20 30 EGEDRM C=CCCO[N-]C(=O)CSc1nncn1-c1ccc(C(C)C)cc1 ZINC000856030452 1325440881 /nfs/dbraw/zinc/44/08/81/1325440881.db2.gz ZXWRZJLUEKZWCG-UHFFFAOYSA-N -1 0 346.456 3.107 20 30 EGEDRM CCCCCCCCCC(=O)[N-]S(=O)(=O)C1(C(F)F)CC1 ZINC000861164664 1329393415 /nfs/dbraw/zinc/39/34/15/1329393415.db2.gz AUJNZPCVWSONCR-UHFFFAOYSA-N -1 0 325.421 3.371 20 30 EGEDRM C=CCC[C@@H](NC(=O)N[C@@H](C)c1nc2ccccc2s1)C(=O)[O-] ZINC000929028279 1328491573 /nfs/dbraw/zinc/49/15/73/1328491573.db2.gz HJBYPEOOMLSCGB-CMPLNLGQSA-N -1 0 333.413 3.076 20 30 EGEDRM CCc1cc(C(=O)OC)c(NC(=O)CCC(=O)C2=CC=C[CH]2)s1 ZINC001184241885 1387418529 /nfs/dbraw/zinc/41/85/29/1387418529.db2.gz SGIZVVWMAHBEPS-UHFFFAOYSA-N -1 0 332.401 3.085 20 30 EGEDRM O=C(CCC(=O)N1C[C@H]2[C@@H](C1)CCC[C@H]2OCC1CC1)C1=CC=C[CH]1 ZINC001184245595 1387419259 /nfs/dbraw/zinc/41/92/59/1387419259.db2.gz ZBCSFNUYNIGVCL-WSTZPKSXSA-N -1 0 342.459 3.090 20 30 EGEDRM COc1ccc(CC2(NC(=O)CCC(=O)C3=CC=C[CH]3)CCC2)cc1 ZINC001184246925 1387419630 /nfs/dbraw/zinc/41/96/30/1387419630.db2.gz BPWQIZJCHZVLSU-UHFFFAOYSA-N -1 0 338.427 3.326 20 30 EGEDRM C=CCOc1cccc([N-]S(=O)(=O)c2c[nH]c(C(F)(F)F)c2)c1 ZINC001324518193 1387658672 /nfs/dbraw/zinc/65/86/72/1387658672.db2.gz KAFVBBVSJMPGAM-UHFFFAOYSA-N -1 0 346.330 3.399 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)c2cc3ccccc3s2)c(O)c1 ZINC001185462941 1387721821 /nfs/dbraw/zinc/72/18/21/1387721821.db2.gz QJLPNUOUGQETSW-UHFFFAOYSA-N -1 0 330.390 3.279 20 30 EGEDRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C)cc(C#N)c2)c1 ZINC001189614033 1367069340 /nfs/dbraw/zinc/06/93/40/1367069340.db2.gz WFUDHUFRJQVILH-UHFFFAOYSA-N -1 0 336.800 3.330 20 30 EGEDRM N#Cc1ccc(NC(=O)c2cccc(OC(F)(F)F)c2[O-])c(C#N)c1 ZINC001189766440 1367105105 /nfs/dbraw/zinc/10/51/05/1367105105.db2.gz JCZMVGLCCPOSIW-UHFFFAOYSA-N -1 0 347.252 3.286 20 30 EGEDRM C[C@@H]1CCC[C@H](C[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)[C@H]1C ZINC001189794636 1367110719 /nfs/dbraw/zinc/11/07/19/1367110719.db2.gz RYRNGGJGJMBZAP-NTZNESFSSA-N -1 0 342.411 3.187 20 30 EGEDRM C#Cc1ccc([N-]S(=O)(=O)c2cc(F)cc(C(F)(F)F)c2)cn1 ZINC001189958863 1367139971 /nfs/dbraw/zinc/13/99/71/1367139971.db2.gz LIQWZPZTMKGCLB-UHFFFAOYSA-N -1 0 344.289 3.022 20 30 EGEDRM Cc1cc([N-]S(=O)(=O)c2cc(F)cc(F)c2F)ccc1C#N ZINC001190392072 1367250401 /nfs/dbraw/zinc/25/04/01/1367250401.db2.gz LHBRTTFGSHJMGT-UHFFFAOYSA-N -1 0 326.299 3.085 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cccc3ncccc23)c1 ZINC001190607880 1367306997 /nfs/dbraw/zinc/30/69/97/1367306997.db2.gz CBORCMRPRXMDTK-UHFFFAOYSA-N -1 0 327.340 3.046 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]c2sc(C)c(CC)c2C(=O)OC)CC1 ZINC001190765970 1367345004 /nfs/dbraw/zinc/34/50/04/1367345004.db2.gz JWPKXOXCUGXHLH-UHFFFAOYSA-N -1 0 343.470 3.256 20 30 EGEDRM Cc1oc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c(C#N)c1C ZINC001190937393 1367386911 /nfs/dbraw/zinc/38/69/11/1367386911.db2.gz JJFBXZUCAITHSV-UHFFFAOYSA-N -1 0 335.772 3.094 20 30 EGEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc3c2CCCO3)c1 ZINC001190981665 1367394893 /nfs/dbraw/zinc/39/48/93/1367394893.db2.gz ORNLVFMHCXBVQQ-UHFFFAOYSA-N -1 0 348.811 3.337 20 30 EGEDRM Cc1nc(C(=O)[N-]c2cc(-c3ccc(F)cc3)sc2C#N)no1 ZINC001191983948 1367655688 /nfs/dbraw/zinc/65/56/88/1367655688.db2.gz XOEJCDCPEVRAOG-UHFFFAOYSA-N -1 0 328.328 3.370 20 30 EGEDRM C=CC[C@@H](NC(=O)Nc1cccc(C(=O)c2ccccc2)c1)C(=O)[O-] ZINC001325067288 1387894385 /nfs/dbraw/zinc/89/43/85/1387894385.db2.gz WLMAQFXKGRNWDT-MRXNPFEDSA-N -1 0 338.363 3.068 20 30 EGEDRM C=CC[C@@H](NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1)c1ccccc1 ZINC001186217413 1387897748 /nfs/dbraw/zinc/89/77/48/1387897748.db2.gz SVMSQPSWDBGQTO-MRXNPFEDSA-N -1 0 349.383 3.120 20 30 EGEDRM COc1cc2c(cc1[N-]S(=O)(=O)CC#N)C(C)(C)CCC2(C)C ZINC001192982770 1367916170 /nfs/dbraw/zinc/91/61/70/1367916170.db2.gz XDNILAMHLSKZKK-UHFFFAOYSA-N -1 0 336.457 3.309 20 30 EGEDRM Cc1sc([N-]S(=O)(=O)[C@H](C)C#N)c(C(=O)c2ccccc2)c1C ZINC001193104070 1367945489 /nfs/dbraw/zinc/94/54/89/1367945489.db2.gz FIUNWGWSXVNHFT-SNVBAGLBSA-N -1 0 348.449 3.250 20 30 EGEDRM C[C@H](C#N)S(=O)(=O)[N-][C@@H](c1cccc2ccccc21)C(F)(F)F ZINC001193194644 1367962465 /nfs/dbraw/zinc/96/24/65/1367962465.db2.gz VCSQSXPKZULDFU-YGRLFVJLSA-N -1 0 342.342 3.275 20 30 EGEDRM N#Cc1c[nH]c2cc(NC(=O)c3ccc(O)c([O-])c3Cl)ccc12 ZINC001193230645 1367972692 /nfs/dbraw/zinc/97/26/92/1367972692.db2.gz ZDVWOSMTBJLLTD-UHFFFAOYSA-N -1 0 327.727 3.356 20 30 EGEDRM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2cc(OC)ccc2C#N)on1 ZINC001193639658 1368081954 /nfs/dbraw/zinc/08/19/54/1368081954.db2.gz AHFWSUXXCDFYLB-LLVKDONJSA-N -1 0 349.412 3.259 20 30 EGEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2ccc(Cl)s2)c1 ZINC001193653955 1368085919 /nfs/dbraw/zinc/08/59/19/1368085919.db2.gz PBJOJIXBWIJHBI-UHFFFAOYSA-N -1 0 328.802 3.083 20 30 EGEDRM NC(=NC(=O)c1ccc(F)c([O-])c1F)c1ccc2cc(O)ccc2c1 ZINC001193794061 1368116495 /nfs/dbraw/zinc/11/64/95/1368116495.db2.gz WPOMABZWNUPAHT-UHFFFAOYSA-N -1 0 342.301 3.075 20 30 EGEDRM Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)N(CC#N)Cc1ccccc1 ZINC001194268985 1368219919 /nfs/dbraw/zinc/21/99/19/1368219919.db2.gz HFLCFAZIFPFGAX-UHFFFAOYSA-N -1 0 346.390 3.052 20 30 EGEDRM Cc1cc(C#N)c([N-]S(=O)(=O)c2ncccc2C(F)(F)F)s1 ZINC001194529882 1368279692 /nfs/dbraw/zinc/27/96/92/1368279692.db2.gz ITYSXLQTXCYYDQ-UHFFFAOYSA-N -1 0 347.343 3.143 20 30 EGEDRM Cc1cccc(C)c1S(=O)(=O)[N-]c1c(C)cc(C#N)cc1C#N ZINC001194639017 1368300393 /nfs/dbraw/zinc/30/03/93/1368300393.db2.gz ORGKJBLERBBDRX-UHFFFAOYSA-N -1 0 325.393 3.156 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2c(F)cc(F)cc2C#N)c(F)c1 ZINC001196383871 1368602971 /nfs/dbraw/zinc/60/29/71/1368602971.db2.gz LQERNPCFXLZYTQ-UHFFFAOYSA-N -1 0 326.299 3.085 20 30 EGEDRM Cc1csc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)c1C#N ZINC001196639632 1368654238 /nfs/dbraw/zinc/65/42/38/1368654238.db2.gz MNYRGBJUJGFHMI-UHFFFAOYSA-N -1 0 337.813 3.254 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)c2csc3ccccc32)c(O)c1 ZINC001186499571 1387955431 /nfs/dbraw/zinc/95/54/31/1387955431.db2.gz YTUDJQUXVOKGSO-UHFFFAOYSA-N -1 0 330.390 3.279 20 30 EGEDRM N#Cc1cc([N-]S(=O)(=O)c2csc3ccccc32)ccc1O ZINC001186495975 1387956017 /nfs/dbraw/zinc/95/60/17/1387956017.db2.gz YMKDVCPREHWMHH-UHFFFAOYSA-N -1 0 330.390 3.279 20 30 EGEDRM N#Cc1cnc(NC(=S)Nc2ccc(C(=O)[O-])cc2)c(Cl)c1 ZINC001197075832 1368741292 /nfs/dbraw/zinc/74/12/92/1368741292.db2.gz WKEKLRVVYXAEQR-UHFFFAOYSA-N -1 0 332.772 3.114 20 30 EGEDRM N#Cc1cc(NC(=S)Nc2ccc(C(=O)[O-])cc2)cc(F)c1F ZINC001197115661 1368747741 /nfs/dbraw/zinc/74/77/41/1368747741.db2.gz LPSVUTVEGBEAQH-UHFFFAOYSA-N -1 0 333.319 3.344 20 30 EGEDRM COc1cc(C#N)ccc1NC(=S)Nc1ccc(C(=O)[O-])cc1 ZINC001197112694 1368747770 /nfs/dbraw/zinc/74/77/70/1368747770.db2.gz HGDHWFDWCQMNQN-UHFFFAOYSA-N -1 0 327.365 3.074 20 30 EGEDRM N#Cc1c(F)cc(F)cc1NC(=S)Nc1ccc(C(=O)[O-])cc1 ZINC001197119548 1368748248 /nfs/dbraw/zinc/74/82/48/1368748248.db2.gz NDEIKNVQXZSUKP-UHFFFAOYSA-N -1 0 333.319 3.344 20 30 EGEDRM N#Cc1cc(F)cc(F)c1NC(=S)Nc1ccc(C(=O)[O-])cc1 ZINC001197116642 1368748541 /nfs/dbraw/zinc/74/85/41/1368748541.db2.gz WHFRRZGITJZGIE-UHFFFAOYSA-N -1 0 333.319 3.344 20 30 EGEDRM CCCCCCCC(=O)c1ccc([O-])c(C(=O)N2CCN(C)CC2)c1 ZINC001197356962 1368796896 /nfs/dbraw/zinc/79/68/96/1368796896.db2.gz JBCCSKVYJPHUMR-UHFFFAOYSA-N -1 0 346.471 3.323 20 30 EGEDRM Cc1nsc([N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)c1C#N ZINC001197637040 1368860087 /nfs/dbraw/zinc/86/00/87/1368860087.db2.gz WIMPCPKNDYAQHB-UHFFFAOYSA-N -1 0 345.808 3.058 20 30 EGEDRM N#CC1=C([N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)SCC1=O ZINC001197646103 1368862193 /nfs/dbraw/zinc/86/21/93/1368862193.db2.gz OZGIENOIULRXFG-UHFFFAOYSA-N -1 0 346.792 3.060 20 30 EGEDRM N#Cc1oc2ccccc2c1[N-]C(=O)c1nccnc1OCC1CC1 ZINC001198011046 1368941955 /nfs/dbraw/zinc/94/19/55/1368941955.db2.gz WXMRVDBQWSVCMG-UHFFFAOYSA-N -1 0 334.335 3.136 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2c(Cl)cc(Cl)cc2C#N)cn1 ZINC001198314279 1369006746 /nfs/dbraw/zinc/00/67/46/1369006746.db2.gz UCVOOAMHEPKCHY-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM N#Cc1oc2ccccc2c1[N-]C(=O)c1cc(OC2CCC2)ncn1 ZINC001199469063 1369227964 /nfs/dbraw/zinc/22/79/64/1369227964.db2.gz IEEDXLSWIXCULN-UHFFFAOYSA-N -1 0 334.335 3.278 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2-c2cnco2)cc1C#N ZINC001201317005 1369517263 /nfs/dbraw/zinc/51/72/63/1369517263.db2.gz LLZRIFSJNVXOLK-UHFFFAOYSA-N -1 0 339.376 3.323 20 30 EGEDRM N#Cc1cc(NC(=O)C2CC(Oc3ccccc3)C2)c([O-])cc1F ZINC001186869462 1388019069 /nfs/dbraw/zinc/01/90/69/1388019069.db2.gz POIROZNPSCBFBF-UHFFFAOYSA-N -1 0 326.327 3.199 20 30 EGEDRM N#Cc1c(F)cc(Nc2ccc(S(=O)(=O)[O-])cc2Cl)cc1F ZINC001203681645 1370216013 /nfs/dbraw/zinc/21/60/13/1370216013.db2.gz IQIQKJQXNQVEDR-UHFFFAOYSA-N -1 0 344.726 3.480 20 30 EGEDRM C=C(C)CO[N-]C(=O)COc1ccc(Cl)cc1Br ZINC001118333085 1371164589 /nfs/dbraw/zinc/16/45/89/1371164589.db2.gz HDSOHUBNEWXGBD-UHFFFAOYSA-N -1 0 334.597 3.105 20 30 EGEDRM N#Cc1cnc(Nc2cc(F)cc(C(=O)[O-])c2)c(Br)c1 ZINC001209885230 1372222370 /nfs/dbraw/zinc/22/23/70/1372222370.db2.gz IBRATVQWJARIBI-UHFFFAOYSA-N -1 0 336.120 3.297 20 30 EGEDRM COC(=O)c1scc(C#N)c1Nc1cc(C(=O)[O-])cc(F)c1C ZINC001210006541 1372253480 /nfs/dbraw/zinc/25/34/80/1372253480.db2.gz DDKCKKKMAKXRKZ-UHFFFAOYSA-N -1 0 334.328 3.296 20 30 EGEDRM N#Cc1cncc(Nc2ccc3c(cccc3S(=O)(=O)[O-])c2)c1 ZINC001210086416 1372269063 /nfs/dbraw/zinc/26/90/63/1372269063.db2.gz IKVBXGWTAATYJU-UHFFFAOYSA-N -1 0 325.349 3.097 20 30 EGEDRM CC(C)Cn1ncc(C([O-])=C(C#N)c2nccn2C)c1-c1ccccc1 ZINC001122605755 1372282336 /nfs/dbraw/zinc/28/23/36/1372282336.db2.gz BCHWXAQNFICQFY-INIZCTEOSA-N -1 0 347.422 3.430 20 30 EGEDRM N#Cc1cnn(-c2ccc(Cl)cc2)c1Nc1ccc(C(=O)[O-])nc1 ZINC001210171382 1372287714 /nfs/dbraw/zinc/28/77/14/1372287714.db2.gz HQEUTUVOIQODEM-UHFFFAOYSA-N -1 0 339.742 3.234 20 30 EGEDRM COc1ccc(C(=O)[O-])cc1Nc1cc(OC)c(OC)cc1C#N ZINC001210257467 1372307135 /nfs/dbraw/zinc/30/71/35/1372307135.db2.gz CQHDFQKSSGJHPG-UHFFFAOYSA-N -1 0 328.324 3.026 20 30 EGEDRM Cn1nc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)cc1C(F)F ZINC001122954062 1372347221 /nfs/dbraw/zinc/34/72/21/1372347221.db2.gz VJHFZWBCWVZNLU-MRVPVSSYSA-N -1 0 344.243 3.262 20 30 EGEDRM N#Cc1cc(Nc2cc(Br)cnc2F)c([O-])cc1F ZINC001211272839 1372517762 /nfs/dbraw/zinc/51/77/62/1372517762.db2.gz VYIMYMBYZCCQTL-UHFFFAOYSA-N -1 0 326.100 3.443 20 30 EGEDRM CCOC(=O)c1cc(Nc2cc(C#N)c(F)cc2[O-])cc([N+](=O)[O-])c1 ZINC001211375313 1372543823 /nfs/dbraw/zinc/54/38/23/1372543823.db2.gz AWQQZSZEERUBIL-UHFFFAOYSA-N -1 0 345.286 3.231 20 30 EGEDRM CCCCCCCCS(=O)(=O)[N-]c1cnc(Cl)nc1OC ZINC001187994727 1388207501 /nfs/dbraw/zinc/20/75/01/1388207501.db2.gz RCRASZVMDBPEQF-UHFFFAOYSA-N -1 0 335.857 3.241 20 30 EGEDRM CCCCCCCCS(=O)(=O)[N-]c1cc2n(n1)CC1(CC1)CO2 ZINC001188001019 1388210393 /nfs/dbraw/zinc/21/03/93/1388210393.db2.gz CNTNJSITPJSFHV-UHFFFAOYSA-N -1 0 341.477 3.158 20 30 EGEDRM Cc1cc(-c2noc(-c3ccc(N(C)CC(=O)[O-])cc3)n2)ccc1C#N ZINC001211942402 1372638239 /nfs/dbraw/zinc/63/82/39/1372638239.db2.gz LMIIADBKZPPNGU-UHFFFAOYSA-N -1 0 348.362 3.105 20 30 EGEDRM N#CCOc1ccc(Nc2cc(S(=O)(=O)[O-])ccc2Cl)cc1 ZINC001212611272 1372737073 /nfs/dbraw/zinc/73/70/73/1372737073.db2.gz OCAUUBBLEWTLQW-UHFFFAOYSA-N -1 0 338.772 3.233 20 30 EGEDRM Cc1oc([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)c(C#N)c1C ZINC001188041818 1388225255 /nfs/dbraw/zinc/22/52/55/1388225255.db2.gz TWOCDCMKIRKYJZ-UHFFFAOYSA-N -1 0 346.195 3.271 20 30 EGEDRM C=CCOC(=O)c1ccc(Nc2cnc(F)c(C(=O)[O-])c2)c(F)c1 ZINC001215111428 1373171497 /nfs/dbraw/zinc/17/14/97/1373171497.db2.gz RGUJGVAYCFHGIZ-UHFFFAOYSA-N -1 0 334.278 3.144 20 30 EGEDRM N#Cc1ccc(Nc2cc(C(=O)[O-])cnc2F)c(Br)c1 ZINC001215128305 1373174482 /nfs/dbraw/zinc/17/44/82/1373174482.db2.gz OTHSLJJJIGIXIF-UHFFFAOYSA-N -1 0 336.120 3.297 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)N[C@@H](C)C2CCCCCC2)cc1C#N ZINC001127958126 1373204645 /nfs/dbraw/zinc/20/46/45/1373204645.db2.gz VZNBYAPXMALLFN-NSHDSACASA-N -1 0 333.457 3.469 20 30 EGEDRM N#Cc1c([O-])csc1Nc1cccc(CN2CCOCC2)c1F ZINC001216215624 1373281941 /nfs/dbraw/zinc/28/19/41/1373281941.db2.gz YWFAESWXZRFHNJ-UHFFFAOYSA-N -1 0 333.388 3.040 20 30 EGEDRM N#Cc1cc(-c2nc(-c3ccccc3-n3ccnc3)no2)ccc1[O-] ZINC001216969700 1373373029 /nfs/dbraw/zinc/37/30/29/1373373029.db2.gz NGIYEZLROGAJAX-UHFFFAOYSA-N -1 0 329.319 3.167 20 30 EGEDRM N#Cc1cc(-c2nc(-c3ccc(C(F)(F)F)nc3)no2)ccc1[O-] ZINC001216969383 1373373085 /nfs/dbraw/zinc/37/30/85/1373373085.db2.gz CWJIPXSVGQOZMW-UHFFFAOYSA-N -1 0 332.241 3.395 20 30 EGEDRM O/N=C(\OC1CC[NH+](CCF)CC1)c1ccccc1Br ZINC001223884543 1375047081 /nfs/dbraw/zinc/04/70/81/1375047081.db2.gz MRAOPBTXZASUHP-VKAVYKQESA-N -1 0 345.212 3.035 20 30 EGEDRM C[C@@H](CC(C)(C)S)Oc1ccc(S(=O)(=O)[O-])c2cccnc12 ZINC001227440807 1375431221 /nfs/dbraw/zinc/43/12/21/1375431221.db2.gz OOYFKKWKSLWUHX-JTQLQIEISA-N -1 0 341.454 3.347 20 30 EGEDRM C=C[C@@H](C#CC(C)(C)C)Oc1ccc(S(=O)(=O)[O-])c2cccnc12 ZINC001227441831 1375431269 /nfs/dbraw/zinc/43/12/69/1375431269.db2.gz XVAYLZPUZLATRC-ZDUSSCGKSA-N -1 0 345.420 3.464 20 30 EGEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1c(C)cccc1C(C)(C)C ZINC001227992017 1375500127 /nfs/dbraw/zinc/50/01/27/1375500127.db2.gz KFSOSSOWWOHZST-AWEZNQCLSA-N -1 0 342.457 3.130 20 30 EGEDRM C=C[C@H](CC)Oc1cc(O)cc([O-])c1C(=O)c1ccc(O)c(O)c1 ZINC001228520126 1375585660 /nfs/dbraw/zinc/58/56/60/1375585660.db2.gz WBEXYIOZMDQTAW-GFCCVEGCSA-N -1 0 330.336 3.083 20 30 EGEDRM C[C@@H](C#C[Si](C)(C)C)Oc1ccc(C[C@H]2SC(=O)[N-]C2=O)cc1 ZINC001229624323 1375867599 /nfs/dbraw/zinc/86/75/99/1375867599.db2.gz MRGSFPSOJVHYEN-SWLSCSKDSA-N -1 0 347.512 3.229 20 30 EGEDRM CC[C@H]1OC(C)=C(Oc2nc3cc(Cl)[n-]c(Cl)c-3n2)C1=O ZINC001231047685 1376199025 /nfs/dbraw/zinc/19/90/25/1376199025.db2.gz AXLQYQMQHFWZPO-SSDOTTSWSA-N -1 0 328.155 3.253 20 30 EGEDRM N#Cc1cccc(F)c1[N-]S(=O)(=O)CCc1ccc(Cl)cc1 ZINC001189101056 1388458744 /nfs/dbraw/zinc/45/87/44/1388458744.db2.gz RUXPHQYOZPECDJ-UHFFFAOYSA-N -1 0 338.791 3.335 20 30 EGEDRM N#CC1(NC(=O)c2cc(Cl)cc(Cl)c2[O-])Cc2ccccc2C1 ZINC001148813770 1379274020 /nfs/dbraw/zinc/27/40/20/1379274020.db2.gz GZJCKNDJSZTPSR-UHFFFAOYSA-N -1 0 347.201 3.490 20 30 EGEDRM N#Cc1cc(NC(=O)Cc2coc3cc(O)ccc23)c([O-])cc1F ZINC001149601181 1379413152 /nfs/dbraw/zinc/41/31/52/1379413152.db2.gz OFTUDXOFHCGSNC-UHFFFAOYSA-N -1 0 326.283 3.036 20 30 EGEDRM Cn1c(C(=O)Nc2cc(C#N)c(F)cc2[O-])cc2ccc(F)cc21 ZINC001153848307 1380143057 /nfs/dbraw/zinc/14/30/57/1380143057.db2.gz HQDHTMCSNIYBDT-UHFFFAOYSA-N -1 0 327.290 3.286 20 30 EGEDRM N#Cc1cnn(-c2ccc(F)cc2)c1Nc1ccc(CC(=O)[O-])cc1 ZINC001174947828 1385173297 /nfs/dbraw/zinc/17/32/97/1385173297.db2.gz QCXUIAZYMKVAOS-UHFFFAOYSA-N -1 0 336.326 3.254 20 30 EGEDRM N#Cc1ncc(Br)cc1Nc1ccc(CC(=O)[O-])cc1 ZINC001174950253 1385173379 /nfs/dbraw/zinc/17/33/79/1385173379.db2.gz UAZWMWCQWZGJGX-UHFFFAOYSA-N -1 0 332.157 3.086 20 30 EGEDRM CCOC(=O)c1cc(C#N)c(Nc2cccc(C(=O)[O-])c2)c(C)c1O ZINC001175331270 1385254820 /nfs/dbraw/zinc/25/48/20/1385254820.db2.gz KIHHZRGSBATHHZ-UHFFFAOYSA-N -1 0 340.335 3.191 20 30 EGEDRM COC(=O)C1(c2ccc(Nc3cc(C#N)c(F)cc3[O-])cc2)CC1 ZINC001175922295 1385438046 /nfs/dbraw/zinc/43/80/46/1385438046.db2.gz XDDDEOIYHMJCPB-UHFFFAOYSA-N -1 0 326.327 3.351 20 30 EGEDRM O=C1OCCN1c1ccc(F)c(N=Cc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC001321971206 1387021886 /nfs/dbraw/zinc/02/18/86/1387021886.db2.gz NXOUXAKZBYXTBG-UHFFFAOYSA-N -1 0 345.286 3.147 20 30 EGEDRM CCOC(=O)COc1ccc(/C=C\C(=O)c2cc(F)ccc2[O-])cc1 ZINC001332222587 1390055356 /nfs/dbraw/zinc/05/53/56/1390055356.db2.gz FXXYXNUEKRZZJV-UITAMQMPSA-N -1 0 344.338 3.369 20 30 EGEDRM N#CC(=C([O-])c1cc(F)cc(Cl)c1)c1nc(N)c2ccccc2n1 ZINC001341785662 1390529600 /nfs/dbraw/zinc/52/96/00/1390529600.db2.gz MCPRTRISEUWRSE-CYBMUJFWSA-N -1 0 340.745 3.495 20 30 EGEDRM CC(C)n1ccc(C([O-])=C(C#N)c2nccn2Cc2ccccc2)n1 ZINC001342165381 1390580400 /nfs/dbraw/zinc/58/04/00/1390580400.db2.gz LBMGFLXEKNPJFQ-INIZCTEOSA-N -1 0 333.395 3.199 20 30 EGEDRM Cc1nc(Cl)ccc1C([O-])=C(C#N)c1nc(N)c2ccccc2n1 ZINC001343469905 1390716110 /nfs/dbraw/zinc/71/61/10/1390716110.db2.gz JGJJHTOBGRHNJY-LBPRGKRZSA-N -1 0 337.770 3.059 20 30 EGEDRM CCCc1nc(C([O-])=C(C#N)c2nccn2Cc2ccccc2)co1 ZINC001343703682 1390731941 /nfs/dbraw/zinc/73/19/41/1390731941.db2.gz CMJFDMWZYXMVGO-HNNXBMFYSA-N -1 0 334.379 3.362 20 30 EGEDRM Cc1cc(F)ccc1-n1ccc(C([O-])=C(C#N)c2cccc(F)n2)n1 ZINC001344021452 1390750610 /nfs/dbraw/zinc/75/06/10/1390750610.db2.gz KCQDUENDEFFDMP-CYBMUJFWSA-N -1 0 338.317 3.344 20 30 EGEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1cnc(C2CC2)o1)c1ccccc1 ZINC001344525888 1390797398 /nfs/dbraw/zinc/79/73/98/1390797398.db2.gz GHEOSYSSUKAEQU-LSDHHAIUSA-N -1 0 337.379 3.142 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)c2ncc(Cl)n2C)nn1[C@H](C)C1CC1 ZINC001345642381 1390871388 /nfs/dbraw/zinc/87/13/88/1390871388.db2.gz IPMZLBSNSCSZHJ-ZYHUDNBSSA-N -1 0 331.807 3.040 20 30 EGEDRM C=C(C)CCC(=O)N(C)[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC001347564938 1391093565 /nfs/dbraw/zinc/09/35/65/1391093565.db2.gz WIVHNEONQMWTCK-AWEZNQCLSA-N -1 0 340.217 3.390 20 30 EGEDRM C[C@H](OC(=O)C=Cc1ccccc1C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000820486747 1428210720 /nfs/dbraw/zinc/21/07/20/1428210720.db2.gz CPSKRNIPTDPQBT-OEYXZAGESA-N -1 0 345.362 3.056 20 30 EGEDRM C[C@@H](Nc1cc(-c2nn[n-]n2)nc2ccccc21)c1ccc(C#N)cc1 ZINC000736140525 1428349033 /nfs/dbraw/zinc/34/90/33/1428349033.db2.gz XDZDBHFOCFLKKT-GFCCVEGCSA-N -1 0 341.378 3.460 20 30 EGEDRM COc1ccc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000737080692 1428769062 /nfs/dbraw/zinc/76/90/62/1428769062.db2.gz GHGNGSNVGQIXHR-FNORWQNLSA-N -1 0 340.770 3.425 20 30 EGEDRM N#Cc1ccc(Sc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)nc1 ZINC000826385820 1429125997 /nfs/dbraw/zinc/12/59/97/1429125997.db2.gz CFDRFKJNONKBML-UHFFFAOYSA-N -1 0 348.313 3.303 20 30 EGEDRM CC[C@H](C#N)Oc1cccc(CNc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736309463 1429338508 /nfs/dbraw/zinc/33/85/08/1429338508.db2.gz OSVKGJGCZHIPSI-MRXNPFEDSA-N -1 0 334.383 3.160 20 30 EGEDRM COc1ccc2c(c1)C(=O)C(=Cc1ccc(-c3nn[n-]n3)s1)CC2 ZINC000821850155 1424403026 /nfs/dbraw/zinc/40/30/26/1424403026.db2.gz XLBKJUSMGHURII-FLIBITNWSA-N -1 0 338.392 3.149 20 30 EGEDRM O=C(C=Cc1nc(Cl)cs1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826403694 1424527938 /nfs/dbraw/zinc/52/79/38/1424527938.db2.gz ZNJQGXYZFGBKEZ-ONEGZZNKSA-N -1 0 335.751 3.012 20 30 EGEDRM C[C@@H](CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)CC(C)(C)C ZINC000735974798 1425357911 /nfs/dbraw/zinc/35/79/11/1425357911.db2.gz JFUQXXSUYRFJOV-NSHDSACASA-N -1 0 326.404 3.139 20 30 EGEDRM CC(C)c1ccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC000735922013 1426413550 /nfs/dbraw/zinc/41/35/50/1426413550.db2.gz FGKPMOSWGFOMKI-UHFFFAOYSA-N -1 0 332.367 3.114 20 30 EGEDRM Cc1ccc2c(c1)OCCC(=Cc1cccc(-c3nn[n-]n3)c1)C2=O ZINC000822280400 1426416032 /nfs/dbraw/zinc/41/60/32/1426416032.db2.gz MGXBKLBQGRXYQJ-UVTDQMKNSA-N -1 0 332.363 3.224 20 30 EGEDRM Cc1c(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cccc1[N+](=O)[O-] ZINC000822016280 1426484512 /nfs/dbraw/zinc/48/45/12/1426484512.db2.gz WVGGYBBMSFPGTF-AATRIKPKSA-N -1 0 341.352 3.041 20 30 EGEDRM CCCCCCCCNC(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000825272281 1427611741 /nfs/dbraw/zinc/61/17/41/1427611741.db2.gz ZNTGKZFWAITDJU-UHFFFAOYSA-N -1 0 336.827 3.005 20 30 EGEDRM C=CCOc1ccc(Oc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000819759303 1427820801 /nfs/dbraw/zinc/82/08/01/1427820801.db2.gz SROUVQXBARHBSE-UHFFFAOYSA-N -1 0 339.311 3.132 20 30 EGEDRM O=C(C=Cc1nccc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000737809971 1442391757 /nfs/dbraw/zinc/39/17/57/1442391757.db2.gz WIXOJFISVNSGKS-CMDGGOBGSA-N -1 0 327.347 3.311 20 30 EGEDRM N#Cc1cc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)ccc1F ZINC000826383766 1443195156 /nfs/dbraw/zinc/19/51/56/1443195156.db2.gz PEGNHPIFORRXOJ-QPEQYQDCSA-N -1 0 345.337 3.090 20 30 EGEDRM CC(CCc1n[nH]c2ccccc21)N=Nc1ccc(-c2nn[n-]n2)cc1 ZINC000824413673 1443300824 /nfs/dbraw/zinc/30/08/24/1443300824.db2.gz OGBRTXSXSRATLY-UHFFFAOYSA-N -1 0 346.398 3.164 20 30 EGEDRM FC(F)(F)c1ccccc1ON=Cc1ccc(-c2nn[n-]n2)s1 ZINC000826369333 1443491867 /nfs/dbraw/zinc/49/18/67/1443491867.db2.gz YEHFYQNLKXMHMC-UHFFFAOYSA-N -1 0 339.302 3.360 20 30 EGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C=C1CC[C@@H](C)C1 ZINC000819743850 1443748357 /nfs/dbraw/zinc/74/83/57/1443748357.db2.gz RBESHKDCKHEEKG-FQZGENGWSA-N -1 0 337.427 3.128 20 30 EGEDRM Cc1ccccc1[C@@H](C)CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000737424079 1447166074 /nfs/dbraw/zinc/16/60/74/1447166074.db2.gz VCDHAWCVWMNDCN-ZDUSSCGKSA-N -1 0 346.394 3.179 20 30 EGEDRM N#CC1(C(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)CCSCC1 ZINC001601050757 970923087 /nfs/dbraw/zinc/92/30/87/970923087.db2.gz JPJORQAZLRGBCP-UHFFFAOYSA-N -1 0 342.779 3.153 20 30 EGEDRM N#CC[C@H](C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21)c1ccccc1 ZINC001601061569 970926405 /nfs/dbraw/zinc/92/64/05/970926405.db2.gz WYVFFJKAPRCMKS-QGTPRVQTSA-N -1 0 334.375 3.113 20 30 EGEDRM C#CCN(C(=O)Nc1ccnc(C(=O)[O-])c1)[C@H]1CCCc2ccccc21 ZINC001602675700 971253289 /nfs/dbraw/zinc/25/32/89/971253289.db2.gz JTRODRURPZBVHZ-SFHVURJKSA-N -1 0 349.390 3.325 20 30 EGEDRM C=C1CCC(CNC(=O)Nc2cccc(-c3nn[nH]n3)c2C)CC1 ZINC001573296321 947043699 /nfs/dbraw/zinc/04/36/99/947043699.db2.gz MZXWVROQUTXABJ-UHFFFAOYSA-N -1 0 326.404 3.043 20 30 EGEDRM C=CC[C@H]1CCN1C(=O)Nc1cc(C(=O)[O-])ccc1Br ZINC001602719108 971381828 /nfs/dbraw/zinc/38/18/28/971381828.db2.gz PUTSWPQRSYFJFI-JTQLQIEISA-N -1 0 339.189 3.330 20 30 EGEDRM CC[C@]1(C(=O)[O-])CCCN(C(=O)Nc2ccccc2O[C@H](C)C#N)C1 ZINC001589598512 949186948 /nfs/dbraw/zinc/18/69/48/949186948.db2.gz OMWZLFDXCWSORI-ACJLOTCBSA-N -1 0 345.399 3.086 20 30 EGEDRM C=C(C)[C@H](NC(=O)N1CCC[C@@H](C(=O)[O-])C1)c1ccc(F)c(F)c1 ZINC000263376015 950419024 /nfs/dbraw/zinc/41/90/24/950419024.db2.gz OETAEBVBNYIEDS-DOMZBBRYSA-N -1 0 338.354 3.088 20 30 EGEDRM CCOC(=O)Nc1ccc(NCc2ccc(C(=O)[O-])cc2)cc1C#N ZINC001590957091 951020722 /nfs/dbraw/zinc/02/07/22/951020722.db2.gz BTDXUPPXHAYLDG-UHFFFAOYSA-N -1 0 339.351 3.437 20 30 EGEDRM O=C([O-])CCc1cccc(NC(=O)C(=O)/C=C\c2ccc(F)cc2)c1 ZINC001595063052 951520647 /nfs/dbraw/zinc/52/06/47/951520647.db2.gz CPFLYFVJKCGGHM-POHAHGRESA-N -1 0 341.338 3.064 20 30 EGEDRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2c(Cl)cc(C#N)cc2Cl)C1 ZINC001589271745 953414127 /nfs/dbraw/zinc/41/41/27/953414127.db2.gz GLQPHMYTZIUVKT-WCBMZHEXSA-N -1 0 341.194 3.048 20 30 EGEDRM C=CC[C@@H](NC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1ccncc1 ZINC000848579584 955752127 /nfs/dbraw/zinc/75/21/27/955752127.db2.gz IMWGPFJDNMFGKF-ARLBYUKCSA-N -1 0 345.443 3.133 20 30 EGEDRM N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H](C(=O)[O-])C2CC2)cc1 ZINC001594600946 956127919 /nfs/dbraw/zinc/12/79/19/956127919.db2.gz DPMLEIVEGCYENN-MSOLQXFVSA-N -1 0 334.375 3.391 20 30 EGEDRM N#CCCC[C@@H](NC(=O)Cc1ccccc1C(=O)[O-])c1ccccc1 ZINC001594605884 956173488 /nfs/dbraw/zinc/17/34/88/956173488.db2.gz KCKIMCYZTDLZBJ-GOSISDBHSA-N -1 0 336.391 3.479 20 30 EGEDRM N#CCC1CCN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)CC1 ZINC001594606334 956180989 /nfs/dbraw/zinc/18/09/89/956180989.db2.gz RTTPQMXCFBQTHS-UHFFFAOYSA-N -1 0 339.754 3.335 20 30 EGEDRM N#Cc1ccc(C(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])cc1Cl ZINC001594617912 956255921 /nfs/dbraw/zinc/25/59/21/956255921.db2.gz RCCHWBUBMOXYCW-INIZCTEOSA-N -1 0 340.766 3.036 20 30 EGEDRM N#Cc1ccc(C2(NC(=O)c3coc(/C=C/C(=O)[O-])c3)CCC2)cc1 ZINC001594618107 956260455 /nfs/dbraw/zinc/26/04/55/956260455.db2.gz CWIKVDGOOMFGGL-VOTSOKGWSA-N -1 0 336.347 3.058 20 30 EGEDRM N#Cc1ccc(N(C(=O)/C=C\c2ccc(C(=O)[O-])o2)C2CCC2)cc1 ZINC001594621427 956286305 /nfs/dbraw/zinc/28/63/05/956286305.db2.gz LXNZWTKBUPAAGW-LUAWRHEFSA-N -1 0 336.347 3.448 20 30 EGEDRM N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001594626717 956319915 /nfs/dbraw/zinc/31/99/15/956319915.db2.gz FXAALQNQVDGRBF-YXMGTMDOSA-N -1 0 336.347 3.056 20 30 EGEDRM N#Cc1cccc(CNC(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)c1 ZINC001594628363 956330061 /nfs/dbraw/zinc/33/00/61/956330061.db2.gz MQRPEIYLZRFAGK-UHFFFAOYSA-N -1 0 347.733 3.371 20 30 EGEDRM N#Cc1cccc([N+](=O)[O-])c1CNc1cccc(CCC(=O)[O-])c1 ZINC001594628642 956333759 /nfs/dbraw/zinc/33/37/59/956333759.db2.gz HRPFZFVUFBBGHK-UHFFFAOYSA-N -1 0 325.324 3.096 20 30 EGEDRM C#CCOc1ccc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)cc1 ZINC001588433403 958295576 /nfs/dbraw/zinc/29/55/76/958295576.db2.gz MEIQCAKSGPZGQM-UHFFFAOYSA-N -1 0 347.729 3.442 20 30 EGEDRM C#CCOc1ccc(F)cc1NC(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC001588433529 958299400 /nfs/dbraw/zinc/29/94/00/958299400.db2.gz ONSCYDJFRQYNJU-CQSZACIVSA-N -1 0 348.374 3.089 20 30 EGEDRM C=C(C)[C@@H](CC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl)OCC ZINC001588441496 958337417 /nfs/dbraw/zinc/33/74/17/958337417.db2.gz JBGDUPLNHVNCOE-LLVKDONJSA-N -1 0 329.755 3.487 20 30 EGEDRM C=C(C)[C@@H](CC(=O)N1C[C@@H](CCC(=O)[O-])Cc2ccccc21)OCC ZINC001588443125 958351104 /nfs/dbraw/zinc/35/11/04/958351104.db2.gz YFMFKFFJGROEQX-MAUKXSAKSA-N -1 0 345.439 3.428 20 30 EGEDRM C=CC[S@](=O)(=NC(=O)C1(C(=O)[O-])CCCCC1)c1ccccc1 ZINC001588469399 958515453 /nfs/dbraw/zinc/51/54/53/958515453.db2.gz DWKUDLJZOBXOML-HSZRJFAPSA-N -1 0 335.425 3.261 20 30 EGEDRM C=CCOc1ccc(CN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])C(C)(C)C)cc1 ZINC001573337223 958521362 /nfs/dbraw/zinc/52/13/62/958521362.db2.gz MDRRUCYJBRYQLM-DLBZAZTESA-N -1 0 345.439 3.489 20 30 EGEDRM C=CCn1cc2ccc(NC(=O)/C=C\c3ccc(C(=O)[O-])o3)cc2n1 ZINC001588474293 958554920 /nfs/dbraw/zinc/55/49/20/958554920.db2.gz GVCALQWOXZMBGY-VURMDHGXSA-N -1 0 337.335 3.165 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC001573365650 958621893 /nfs/dbraw/zinc/62/18/93/958621893.db2.gz WOADUXIMKOJGBA-FQEVSTJZSA-N -1 0 332.359 3.029 20 30 EGEDRM Cc1cccc([C@@H](NC(=O)[C@H](C#N)CCc2ccccc2)C(=O)[O-])c1 ZINC001594390226 958703502 /nfs/dbraw/zinc/70/35/02/958703502.db2.gz GWUJHJFYOZORPY-ZWKOTPCHSA-N -1 0 336.391 3.010 20 30 EGEDRM CC(C)(C)n1cc(C#N)cc1NC(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001573463534 958927924 /nfs/dbraw/zinc/92/79/24/958927924.db2.gz GKOMDHRAAFBHMM-FNORWQNLSA-N -1 0 327.340 3.058 20 30 EGEDRM CC(C)(C)[C@H](C(=O)[O-])C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1 ZINC001588635329 959652107 /nfs/dbraw/zinc/65/21/07/959652107.db2.gz IIQTZFJDGGRFQZ-NEPJUHHUSA-N -1 0 342.317 3.133 20 30 EGEDRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC001573712177 959856863 /nfs/dbraw/zinc/85/68/63/959856863.db2.gz RENXGZBWPKXHKX-UZLBHIALSA-N -1 0 347.414 3.412 20 30 EGEDRM CN(CC(C)(C)C#N)C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001604121634 972519568 /nfs/dbraw/zinc/51/95/68/972519568.db2.gz PBHWYXSGVUQQNB-UHFFFAOYSA-N -1 0 327.743 3.191 20 30 EGEDRM CC(C)(C)Oc1ccc(NC(=O)[C@]2(C(=O)[O-])CC2(C)C)cc1C#N ZINC001588734293 961117823 /nfs/dbraw/zinc/11/78/23/961117823.db2.gz GXLDKSZTZNSYLF-SFHVURJKSA-N -1 0 330.384 3.175 20 30 EGEDRM N#Cc1ccc(Br)c(CNCc2ccc(C(=O)[O-])cc2)c1 ZINC001574486105 961681911 /nfs/dbraw/zinc/68/19/11/961681911.db2.gz QNQIJABYUDPDBP-UHFFFAOYSA-N -1 0 345.196 3.309 20 30 EGEDRM N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001574488643 961697711 /nfs/dbraw/zinc/69/77/11/961697711.db2.gz DDAYRJBFWAGQIB-SFHVURJKSA-N -1 0 349.390 3.384 20 30 EGEDRM C[C@H](NC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1)c1ccc(C#N)cc1 ZINC001341353043 962132071 /nfs/dbraw/zinc/13/20/71/962132071.db2.gz JJETWZJTUVFWMN-UGSOOPFHSA-N -1 0 349.390 3.013 20 30 EGEDRM C#CCCCCCC(=O)N(CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC001573301871 962639170 /nfs/dbraw/zinc/63/91/70/962639170.db2.gz LHTAFNLIPKKWCP-UHFFFAOYSA-N -1 0 337.366 3.352 20 30 EGEDRM C=C(C)C[C@H](NC(=O)[C@H](C)Oc1ccc(C(C)C)c(C)c1)C(=O)[O-] ZINC001573320667 962750438 /nfs/dbraw/zinc/75/04/38/962750438.db2.gz DOYCYPKAASXIJN-YOEHRIQHSA-N -1 0 333.428 3.421 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N1CCC(Cc2c(F)cccc2F)CC1 ZINC001573331942 962819685 /nfs/dbraw/zinc/81/96/85/962819685.db2.gz FBHIMPAAHVEZFK-UHFFFAOYSA-N -1 0 337.366 3.167 20 30 EGEDRM C=C[C@H](C)NC(=O)Nc1cc(C(=O)[O-])c(Br)cc1C ZINC000311917573 963522621 /nfs/dbraw/zinc/52/26/21/963522621.db2.gz DDCFZSBRRVOOIP-QMMMGPOBSA-N -1 0 327.178 3.152 20 30 EGEDRM C=C(C)[C@@H](NC(=O)c1ccc(C(=O)[O-])cn1)c1ccc(F)c(F)c1 ZINC001588442973 964059431 /nfs/dbraw/zinc/05/94/31/964059431.db2.gz VZIBRNNHLHUAIY-OAHLLOKOSA-N -1 0 332.306 3.105 20 30 EGEDRM N#Cc1ccc(N2CCC[C@@H](CC(=O)[O-])C2)c(F)c1Br ZINC000231842170 967739960 /nfs/dbraw/zinc/73/99/60/967739960.db2.gz WXABAFMSPLIFII-VIFPVBQESA-N -1 0 341.180 3.151 20 30 EGEDRM CC[C@@H](CNC(=O)Nc1cccc(C#Cc2cccs2)c1)C(=O)[O-] ZINC001603565823 973686733 /nfs/dbraw/zinc/68/67/33/973686733.db2.gz LBPWYYPKFCTMSL-AWEZNQCLSA-N -1 0 342.420 3.380 20 30 EGEDRM N#Cc1c(F)cc(C(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)cc1F ZINC001605590820 973886205 /nfs/dbraw/zinc/88/62/05/973886205.db2.gz NTDSFYWYYCTYMM-GFCCVEGCSA-N -1 0 342.301 3.055 20 30 EGEDRM N#Cc1cccc(C2(C(=O)N3CCCc4cc(C(=O)[O-])ccc43)CC2)c1 ZINC001605617832 973937575 /nfs/dbraw/zinc/93/75/75/973937575.db2.gz XWSNNXMRWCHHNU-UHFFFAOYSA-N -1 0 346.386 3.267 20 30 EGEDRM N#Cc1cc(F)c(NC[C@@H](CC(=O)[O-])C2CC2)cc1Br ZINC000690424078 976292765 /nfs/dbraw/zinc/29/27/65/976292765.db2.gz OKXOZTSDXXLNJX-SNVBAGLBSA-N -1 0 341.180 3.373 20 30 EGEDRM CCOc1c(OC)cc(C=NNc2cccc(C(=O)[O-])c2)cc1OC ZINC000750912205 978691090 /nfs/dbraw/zinc/69/10/90/978691090.db2.gz LMAMCOSLJPKTGX-UHFFFAOYSA-N -1 0 344.367 3.247 20 30 EGEDRM Cc1cc(C)c(C(=O)/C=C/c2ccc(OCC(=O)[O-])cc2)c(O)c1 ZINC000799895588 978845338 /nfs/dbraw/zinc/84/53/38/978845338.db2.gz QAECIWJCQRDAQD-VMPITWQZSA-N -1 0 326.348 3.369 20 30 EGEDRM Cn1cc(-c2ccc(C=NNc3ccccc3C(=O)[O-])s2)cn1 ZINC000800808218 978846636 /nfs/dbraw/zinc/84/66/36/978846636.db2.gz HIPDSSPBNRDCCH-UHFFFAOYSA-N -1 0 326.381 3.293 20 30 EGEDRM Cc1ccc(C)c(NC(=S)NN=C2CC[C@@H](CC(=O)[O-])[C@H]2C)c1 ZINC000814707740 978875394 /nfs/dbraw/zinc/87/53/94/978875394.db2.gz VEAMUGCVFFLPHS-OLZOCXBDSA-N -1 0 333.457 3.467 20 30 EGEDRM COC(=O)c1ccc(NN=C(C)c2cc(C(=O)[O-])cs2)c(OC)c1 ZINC000814887966 978895882 /nfs/dbraw/zinc/89/58/82/978895882.db2.gz UNRUQKOAHBSSBV-UHFFFAOYSA-N -1 0 348.380 3.078 20 30 EGEDRM C[C@@H](Oc1ccc(C=NNc2ccc(F)c(F)c2F)cc1)C(=O)[O-] ZINC000814944982 978899420 /nfs/dbraw/zinc/89/94/20/978899420.db2.gz GBJHRBVROFWOCK-SECBINFHSA-N -1 0 338.285 3.402 20 30 EGEDRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)CC#Cc1ccccc1 ZINC001595361573 980763187 /nfs/dbraw/zinc/76/31/87/980763187.db2.gz JQMCVNIXOVFAGH-IBGZPJMESA-N -1 0 335.403 3.493 20 30 EGEDRM CC[C@@](C)(C#N)C(=O)OCc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC001594778206 981773514 /nfs/dbraw/zinc/77/35/14/981773514.db2.gz KRSHFVRUBYRJNN-KRWDZBQOSA-N -1 0 344.392 3.491 20 30 EGEDRM C=CCCC[C@@H](NC(=O)CCCc1c[nH]c2ccccc12)C(=O)[O-] ZINC000910918696 982164180 /nfs/dbraw/zinc/16/41/80/982164180.db2.gz NZQINMFELQXYPT-QGZVFWFLSA-N -1 0 328.412 3.416 20 30 EGEDRM C=CCn1ncc2ccc(NC(=O)[C@H]3CCCC[C@H]3C(=O)[O-])cc21 ZINC000911081875 982229281 /nfs/dbraw/zinc/22/92/81/982229281.db2.gz HEBVOJKVLAGSLU-LSDHHAIUSA-N -1 0 327.384 3.052 20 30 EGEDRM CCCCCCCS(=O)(=O)Nc1cnc(C(=O)[O-])c(Cl)c1 ZINC001595709310 982292388 /nfs/dbraw/zinc/29/23/88/982292388.db2.gz ZIGMMRHATKOYGD-UHFFFAOYSA-N -1 0 334.825 3.145 20 30 EGEDRM N#C[C@]1(C(=O)NC[C@H](C(=O)[O-])C2CCCCC2)CC2CCC1CC2 ZINC000923098107 982722575 /nfs/dbraw/zinc/72/25/75/982722575.db2.gz FYOFMZZGTOEULJ-MUXCANPHSA-N -1 0 332.444 3.104 20 30 EGEDRM CCCOC(=O)C[C@@H](CNc1ccc(C(=O)[O-])nc1C#N)CC(C)C ZINC001595940225 983092120 /nfs/dbraw/zinc/09/21/20/983092120.db2.gz QZBCXZPBWQVERJ-ZDUSSCGKSA-N -1 0 347.415 3.069 20 30 EGEDRM CCCOc1cccc(/C=C2\CCn3nc(C(=O)[O-])cc3C2=O)c1 ZINC001595967237 983177743 /nfs/dbraw/zinc/17/77/43/983177743.db2.gz GXOSVQUFASJTPH-UKTHLTGXSA-N -1 0 326.352 3.040 20 30 EGEDRM C#C[C@@H](NC(=O)c1c(C)[nH]c(C(=O)[O-])c1C)c1ccc(Cl)cc1 ZINC001588373275 983337239 /nfs/dbraw/zinc/33/72/39/983337239.db2.gz CKUFHPJKSVMZPV-CYBMUJFWSA-N -1 0 330.771 3.087 20 30 EGEDRM C#C[C@@H](NC(=O)Nc1cc(C)cc(C(=O)[O-])c1)c1ccc(F)cc1 ZINC001588373400 983337862 /nfs/dbraw/zinc/33/78/62/983337862.db2.gz FVTRXJMKHDDRCA-MRXNPFEDSA-N -1 0 326.327 3.328 20 30 EGEDRM C#C[C@@H](NC(=O)Nc1ccc(OCCC(=O)[O-])cc1)c1ccccc1 ZINC001588374107 983341436 /nfs/dbraw/zinc/34/14/36/983341436.db2.gz OPAKSCMZSOXRME-QGZVFWFLSA-N -1 0 338.363 3.036 20 30 EGEDRM C#C[C@H](NC(=O)c1ccccc1C(=O)[O-])c1ccc(Cl)cc1F ZINC001588377345 983356370 /nfs/dbraw/zinc/35/63/70/983356370.db2.gz KSRVIDILKLYIQG-HNNXBMFYSA-N -1 0 331.730 3.282 20 30 EGEDRM C#C[C@H](NC(=O)c1cc(F)cc(C(=O)[O-])c1)c1ccc(Cl)cc1F ZINC001588377272 983356720 /nfs/dbraw/zinc/35/67/20/983356720.db2.gz KJOADNPZOOBCAN-HNNXBMFYSA-N -1 0 349.720 3.421 20 30 EGEDRM C#C[C@@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(Cl)cc1F ZINC001588378499 983362874 /nfs/dbraw/zinc/36/28/74/983362874.db2.gz YZZNUKFZSNCREC-IAGOWNOFSA-N -1 0 342.757 3.441 20 30 EGEDRM C#CCC(C)(C)C(=O)Nc1nc(-c2ccc(C(=O)[O-])cc2)cs1 ZINC001588384241 983388444 /nfs/dbraw/zinc/38/84/44/983388444.db2.gz ZWGPNOOHGUHBBH-UHFFFAOYSA-N -1 0 328.393 3.496 20 30 EGEDRM C#CC[C@@H](NC(=O)C(C)(C)c1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC001588395442 983405898 /nfs/dbraw/zinc/40/58/98/983405898.db2.gz QYUGTPXJLXHYMN-GOSISDBHSA-N -1 0 335.403 3.224 20 30 EGEDRM C#CC[C@H](Cc1ccccc1)NC(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001588396534 983408946 /nfs/dbraw/zinc/40/89/46/983408946.db2.gz ZMNFAPALQQVIMK-GOSISDBHSA-N -1 0 336.391 3.070 20 30 EGEDRM C#CCOc1cccc([C@H](C)OC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)c1 ZINC001588497986 983542631 /nfs/dbraw/zinc/54/26/31/983542631.db2.gz OMOOGDLNTSFQFU-KKUMJFAQSA-N -1 0 330.380 3.194 20 30 EGEDRM C#Cc1ccc(C(=O)N[C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)cc1 ZINC001588511248 983558925 /nfs/dbraw/zinc/55/89/25/983558925.db2.gz UFWPENFAKBVZGJ-OAHLLOKOSA-N -1 0 347.292 3.242 20 30 EGEDRM C#Cc1ccc(C(=O)Nc2cccc(CSCC(=O)[O-])c2)cc1 ZINC001588516427 983561244 /nfs/dbraw/zinc/56/12/44/983561244.db2.gz MIVDWYVTPWYIAL-UHFFFAOYSA-N -1 0 325.389 3.238 20 30 EGEDRM C=C(C)[C@H](NC(=O)NC1CC(CC(=O)[O-])C1)c1ccc(F)c(F)c1 ZINC001588536608 983594859 /nfs/dbraw/zinc/59/48/59/983594859.db2.gz ZHAFJVCZQTUEKV-MLHMAEKDSA-N -1 0 338.354 3.135 20 30 EGEDRM C=C(C)C[C@H](NC(=O)c1cc(C(C)C)n(-c2ccccc2)n1)C(=O)[O-] ZINC001588543529 983611661 /nfs/dbraw/zinc/61/16/61/983611661.db2.gz JQOIIOOTMKRPJZ-INIZCTEOSA-N -1 0 341.411 3.145 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)c1ccc(Br)c(CC)c1)C(=O)[O-] ZINC001588546553 983615881 /nfs/dbraw/zinc/61/58/81/983615881.db2.gz NGCJGAIVANYHRY-CYBMUJFWSA-N -1 0 340.217 3.161 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)c1ccc(N2CCCCCC2)cc1)C(=O)[O-] ZINC001588546631 983616384 /nfs/dbraw/zinc/61/63/84/983616384.db2.gz OSTARCNWWRFGME-QGZVFWFLSA-N -1 0 330.428 3.216 20 30 EGEDRM C=C(C)C[C@H](NS(=O)(=O)c1ccc(C(C)(C)CC)cc1)C(=O)[O-] ZINC001588555600 983636268 /nfs/dbraw/zinc/63/62/68/983636268.db2.gz NANLBLWQEVDBKP-HNNXBMFYSA-N -1 0 339.457 3.072 20 30 EGEDRM C=C(C)CN(Cc1noc(CCCC(=O)[O-])n1)Cc1ccccc1 ZINC001588567048 983645931 /nfs/dbraw/zinc/64/59/31/983645931.db2.gz AFXDWTBXXFNTSJ-UHFFFAOYSA-N -1 0 329.400 3.055 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N(C)CCOc1ccccc1C(C)(C)C ZINC001588606639 983697761 /nfs/dbraw/zinc/69/77/61/983697761.db2.gz CDPBYIYOGPGENG-UHFFFAOYSA-N -1 0 333.428 3.242 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N(Cc1ccco1)c1ccc(OC)c(F)c1 ZINC001588612065 983701827 /nfs/dbraw/zinc/70/18/27/983701827.db2.gz HRTABUPJFQXKCB-UHFFFAOYSA-N -1 0 347.342 3.382 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N(Cc1cccc(C)c1)Cc1ccccn1 ZINC001588612678 983703639 /nfs/dbraw/zinc/70/36/39/983703639.db2.gz VPPCYUGCWHYHQC-UHFFFAOYSA-N -1 0 338.407 3.340 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC001588615186 983710560 /nfs/dbraw/zinc/71/05/60/983710560.db2.gz MEVJLMMJTVLGBY-ZDUSSCGKSA-N -1 0 348.468 3.149 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1cc(-c2cc(C)c(C)cc2C)[nH]n1 ZINC001588630548 983744885 /nfs/dbraw/zinc/74/48/85/983744885.db2.gz QMJOBYVLYRFAFZ-UHFFFAOYSA-N -1 0 327.384 3.361 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H](C)c1ccc(F)cc1OC(F)F ZINC001588630564 983745062 /nfs/dbraw/zinc/74/50/62/983745062.db2.gz REUUKDVFMLURCW-VIFPVBQESA-N -1 0 331.290 3.025 20 30 EGEDRM C=C[C@H]1CCCCN1CC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC001588719080 983958047 /nfs/dbraw/zinc/95/80/47/983958047.db2.gz KSGSEAPAUYHOOW-LBPRGKRZSA-N -1 0 348.468 3.304 20 30 EGEDRM C=CC[C@H](C(=O)NCc1ccc(OC)c(C(=O)[O-])c1)c1ccccc1 ZINC001588722343 983974229 /nfs/dbraw/zinc/97/42/29/983974229.db2.gz YSGHSJRXASKCPX-INIZCTEOSA-N -1 0 339.391 3.370 20 30 EGEDRM C=CCC(C)(C)Cn1c(C2CCC2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001588736394 984024557 /nfs/dbraw/zinc/02/45/57/984024557.db2.gz IVMIDBMGESKSIK-CQSZACIVSA-N -1 0 332.448 3.059 20 30 EGEDRM C=CC[C@H](Cc1ccccc1)NC(=O)c1ccsc1CC(=O)[O-] ZINC001588744083 984041123 /nfs/dbraw/zinc/04/11/23/984041123.db2.gz HIJPMGWSYHZKRG-CQSZACIVSA-N -1 0 329.421 3.292 20 30 EGEDRM C=CCC1(NC(=O)Nc2cc(C(=O)[O-])c(C)cc2C)CCOCC1 ZINC001588767001 984127076 /nfs/dbraw/zinc/12/70/76/984127076.db2.gz CYFSSRKYPFMTQL-UHFFFAOYSA-N -1 0 332.400 3.248 20 30 EGEDRM C=CC[C@H]1CCCC[C@@H]1NC(=O)NCCc1ccccc1C(=O)[O-] ZINC001588771514 984140234 /nfs/dbraw/zinc/14/02/34/984140234.db2.gz WTCSRFRVWALFOP-RDJZCZTQSA-N -1 0 330.428 3.361 20 30 EGEDRM C=CCC[C@@H](C(=O)NCc1ncc(C(=O)[O-])s1)c1ccccc1 ZINC001588776739 984153171 /nfs/dbraw/zinc/15/31/71/984153171.db2.gz DEMDCCPWBMWRBT-CYBMUJFWSA-N -1 0 330.409 3.208 20 30 EGEDRM C=CCC[C@@H]1CCCN1S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC001588781785 984167998 /nfs/dbraw/zinc/16/79/98/984167998.db2.gz HEQWGVDFEISDGG-OAHLLOKOSA-N -1 0 337.441 3.121 20 30 EGEDRM C=CCCC[C@@H](NC(=O)CCOc1ccccc1Cl)C(=O)[O-] ZINC001588788565 984191094 /nfs/dbraw/zinc/19/10/94/984191094.db2.gz HESRYRPKCCOYHT-CYBMUJFWSA-N -1 0 325.792 3.035 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1ccc(C)c(Br)c1)C(=O)[O-] ZINC001588792428 984209217 /nfs/dbraw/zinc/20/92/17/984209217.db2.gz HBWVGDHFNVGBET-ZDUSSCGKSA-N -1 0 340.217 3.297 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1cc(-c2cccc(F)c2)no1)C(=O)[O-] ZINC001588792707 984211980 /nfs/dbraw/zinc/21/19/80/984211980.db2.gz MERZFNLQXQXKBR-CYBMUJFWSA-N -1 0 332.331 3.020 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1cc(C)sc1Br)C(=O)[O-] ZINC001588792695 984212241 /nfs/dbraw/zinc/21/22/41/984212241.db2.gz LQTPCMWFNINAMH-JTQLQIEISA-N -1 0 346.246 3.358 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1cc(C)ccc1Br)C(=O)[O-] ZINC001588792686 984212270 /nfs/dbraw/zinc/21/22/70/984212270.db2.gz LLWHSYPGMZYXQS-ZDUSSCGKSA-N -1 0 340.217 3.297 20 30 EGEDRM C=CCCC[C@H](NC(=O)Cn1ccc2ccc(Cl)cc21)C(=O)[O-] ZINC001588794128 984224692 /nfs/dbraw/zinc/22/46/92/984224692.db2.gz MCWGGZZZEFVRCC-AWEZNQCLSA-N -1 0 334.803 3.220 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1cnn(-c2ccc(C)cc2)c1C)C(=O)[O-] ZINC001588797464 984229411 /nfs/dbraw/zinc/22/94/11/984229411.db2.gz FMDOIYIKTOQBLR-KRWDZBQOSA-N -1 0 341.411 3.028 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1[nH]c(-c2cccc(C)c2)nc1C)C(=O)[O-] ZINC001588798010 984232814 /nfs/dbraw/zinc/23/28/14/984232814.db2.gz RDSFKGSRCLXTHK-HNNXBMFYSA-N -1 0 341.411 3.233 20 30 EGEDRM C=CCCCCCCNC(=O)Nc1cc(C(=O)[O-])cc(C(=O)OC)c1 ZINC001588798434 984235962 /nfs/dbraw/zinc/23/59/62/984235962.db2.gz FLKUKOLSFBDKIO-UHFFFAOYSA-N -1 0 348.399 3.429 20 30 EGEDRM C=CCCCCCN(C)C(=O)Nc1ccc2cnn(CC(=O)[O-])c2c1 ZINC001588799892 984242898 /nfs/dbraw/zinc/24/28/98/984242898.db2.gz NZWGYALKWNDXIN-UHFFFAOYSA-N -1 0 344.415 3.331 20 30 EGEDRM CCNc1ccc(C#N)cc1NC(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001596501385 984254816 /nfs/dbraw/zinc/25/48/16/984254816.db2.gz SFRWBERYJKTVJB-UHFFFAOYSA-N -1 0 327.315 3.080 20 30 EGEDRM C=CCCOCCCCC(=O)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001588810236 984265752 /nfs/dbraw/zinc/26/57/52/984265752.db2.gz FUOGPOGEEGQQJR-FQEVSTJZSA-N -1 0 345.439 3.004 20 30 EGEDRM C=CCCOCCCCC(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC001588810322 984266490 /nfs/dbraw/zinc/26/64/90/984266490.db2.gz IXOOGHCSEZVBLJ-OAHLLOKOSA-N -1 0 331.412 3.355 20 30 EGEDRM C=CCN1C(=O)N[C@@H](c2ccc(C(F)(F)F)s2)C(C(=O)[O-])=C1C ZINC001588832538 984323529 /nfs/dbraw/zinc/32/35/29/984323529.db2.gz RGLYVLHKKHYQNB-NSHDSACASA-N -1 0 346.330 3.378 20 30 EGEDRM C=CCN1C(=O)N[C@H](c2ccc(OCC3CC3)cc2)C(C(=O)[O-])=C1C ZINC001588837173 984332588 /nfs/dbraw/zinc/33/25/88/984332588.db2.gz SQOOBNBLVNDPJD-QGZVFWFLSA-N -1 0 342.395 3.086 20 30 EGEDRM C=CCOc1cc(OC)ccc1C(=O)OCc1cc(C(=O)[O-])oc1C ZINC001588869530 984439174 /nfs/dbraw/zinc/43/91/74/984439174.db2.gz JBESHGOBIKUWFM-UHFFFAOYSA-N -1 0 346.335 3.217 20 30 EGEDRM CCOC(=O)[C@@H]1C/C(=C/c2ccc(C(=O)[O-])[nH]2)C(=O)c2ccccc21 ZINC001596567712 984453599 /nfs/dbraw/zinc/45/35/99/984453599.db2.gz ALHFCQODRHQDNR-ZHUYAKLQSA-N -1 0 339.347 3.030 20 30 EGEDRM C=CCSc1ccccc1NC(=O)CN([C@H](C)C(=O)[O-])C1CCC1 ZINC001588879915 984460161 /nfs/dbraw/zinc/46/01/61/984460161.db2.gz YSDPMWHTCYAYAR-CYBMUJFWSA-N -1 0 348.468 3.231 20 30 EGEDRM C=CCn1c(-c2cc(C)oc2C)nnc1N1CCC[C@](C)(C(=O)[O-])C1 ZINC001588886159 984471024 /nfs/dbraw/zinc/47/10/24/984471024.db2.gz BJOSLIWCUIMNSF-SFHVURJKSA-N -1 0 344.415 3.032 20 30 EGEDRM C=CCn1c(C)cc(C(=O)COc2cnc(Cl)cc2C(=O)[O-])c1C ZINC001588896491 984502017 /nfs/dbraw/zinc/50/20/17/984502017.db2.gz KELBEOHJEHPEJJ-UHFFFAOYSA-N -1 0 348.786 3.299 20 30 EGEDRM C=CCn1c(C)cc(C(=O)CON=Cc2ccc(C(=O)[O-])cc2)c1C ZINC001588898033 984515369 /nfs/dbraw/zinc/51/53/69/984515369.db2.gz YBRFDCPWYYGIDB-UHFFFAOYSA-N -1 0 340.379 3.223 20 30 EGEDRM C=CCn1c(S[C@H](C(=O)[O-])C(C)(C)C)nc2ccccc2c1=O ZINC001588905067 984535169 /nfs/dbraw/zinc/53/51/69/984535169.db2.gz ORQYRWGIFIMTIK-CYBMUJFWSA-N -1 0 332.425 3.174 20 30 EGEDRM C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC001588914437 984558393 /nfs/dbraw/zinc/55/83/93/984558393.db2.gz WIDZOEDRCQRABT-OLZOCXBDSA-N -1 0 346.408 3.455 20 30 EGEDRM Cc1[nH]c(C(=O)CSCCc2ccc(C#N)cc2)c(C)c1C(=O)[O-] ZINC001599949589 985585046 /nfs/dbraw/zinc/58/50/46/985585046.db2.gz JSJXBXITZBOTKW-UHFFFAOYSA-N -1 0 342.420 3.360 20 30 EGEDRM CCOCCCN(C[C@@H](C)C(=O)[O-])c1nc(C(C)(C)C)ccc1C#N ZINC001596914721 985931619 /nfs/dbraw/zinc/93/16/19/985931619.db2.gz GZDBDLVQROANBQ-CQSZACIVSA-N -1 0 347.459 3.204 20 30 EGEDRM C[C@H](C#N)OCCSCc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001589331964 986194886 /nfs/dbraw/zinc/19/48/86/986194886.db2.gz UVUPUWQENNEUED-LLVKDONJSA-N -1 0 332.381 3.202 20 30 EGEDRM CCOc1cc(C(=O)[O-])ccc1NC(=O)c1cc(C#N)ccc1F ZINC001597023181 986428072 /nfs/dbraw/zinc/42/80/72/986428072.db2.gz YQOBNBIWXLKYAV-UHFFFAOYSA-N -1 0 328.299 3.047 20 30 EGEDRM C[C@H]1CO[C@H](C(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)C1 ZINC001594587761 986487165 /nfs/dbraw/zinc/48/71/65/986487165.db2.gz RJMVHCYKFKFDRM-KUHUBIRLSA-N -1 0 349.386 3.148 20 30 EGEDRM CCOc1ccc(C#N)cc1NC(=O)c1[nH]c(CC)c(C(=O)[O-])c1C ZINC001597055772 986534863 /nfs/dbraw/zinc/53/48/63/986534863.db2.gz IPOWCAJKLJGLPY-UHFFFAOYSA-N -1 0 341.367 3.106 20 30 EGEDRM CCOc1ccc(NC(=S)NN=C2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC001597123013 986822619 /nfs/dbraw/zinc/82/26/19/986822619.db2.gz JRAJGHGDXRNMTC-LLVKDONJSA-N -1 0 335.429 3.003 20 30 EGEDRM CCOc1ccc(NC(=O)c2csc(C#N)c2)c(C(=O)[O-])c1F ZINC001597123683 986826833 /nfs/dbraw/zinc/82/68/33/986826833.db2.gz PSRWKKKUZDDRIL-UHFFFAOYSA-N -1 0 334.328 3.108 20 30 EGEDRM CC[C@@H](C#N)C(=O)N(Cc1ccoc1C(=O)[O-])[C@H](C)c1ccccn1 ZINC001594722405 987212341 /nfs/dbraw/zinc/21/23/41/987212341.db2.gz OUDCMWIUZWCIOP-OLZOCXBDSA-N -1 0 341.367 3.012 20 30 EGEDRM CC[C@@H](C#N)[C@@H](OC(=O)c1ccc(C(=O)[O-])n1C)c1cccs1 ZINC001594722743 987216791 /nfs/dbraw/zinc/21/67/91/987216791.db2.gz TYOYEGMTCPZBLW-IINYFYTJSA-N -1 0 332.381 3.233 20 30 EGEDRM CC[C@H](C#N)[C@@H](OC(=O)c1cc(C(=O)[O-])ccn1)c1cccs1 ZINC001594722854 987217464 /nfs/dbraw/zinc/21/74/64/987217464.db2.gz XGIWKRNAISFECR-QMTHXVAHSA-N -1 0 330.365 3.289 20 30 EGEDRM CC(C)(C#N)c1ccc(C(=O)N[C@@H](CC(=O)[O-])C2CCCC2)cc1 ZINC001589557687 987306850 /nfs/dbraw/zinc/30/68/50/987306850.db2.gz FFQNEGMXDOXZBK-INIZCTEOSA-N -1 0 328.412 3.251 20 30 EGEDRM CC(C)(C(=O)[O-])[C@H](NC(=O)c1csc(C#N)c1)c1ccccc1 ZINC001589602038 987430436 /nfs/dbraw/zinc/43/04/36/987430436.db2.gz UOOJWGJGEGPHCD-CQSZACIVSA-N -1 0 328.393 3.202 20 30 EGEDRM CC(C)(C(=O)[O-])c1ccc(NC(=O)N2Cc3cccc(C#N)c3C2)cc1 ZINC001589636401 987553494 /nfs/dbraw/zinc/55/34/94/987553494.db2.gz QNMLFGHJGOXHHF-UHFFFAOYSA-N -1 0 349.390 3.468 20 30 EGEDRM CC(C)(C)C#CC(=O)N[C@@H](C[C@@H]1CCCc2ccccc21)C(=O)[O-] ZINC001589684561 987722241 /nfs/dbraw/zinc/72/22/41/987722241.db2.gz JIZLRWDQMQQPSK-RDJZCZTQSA-N -1 0 327.424 3.116 20 30 EGEDRM CCc1ccc([C@H](C#N)N(C)C(=O)/C=C\c2cc(C(=O)[O-])co2)cc1 ZINC001597508298 988086111 /nfs/dbraw/zinc/08/61/11/988086111.db2.gz LYXUOYGFMMKTNA-JJEJIETFSA-N -1 0 338.363 3.277 20 30 EGEDRM CSCc1cc(F)ccc1CNc1ccc(C(=O)[O-])nc1C#N ZINC001599802164 988194391 /nfs/dbraw/zinc/19/43/91/988194391.db2.gz DOOGBVOMGPVGCP-UHFFFAOYSA-N -1 0 331.372 3.266 20 30 EGEDRM C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)/C=C/c1ccccc1C#N ZINC001599831716 988685368 /nfs/dbraw/zinc/68/53/68/988685368.db2.gz OCEJHZDTLZCYQG-RUMSDORHSA-N -1 0 334.375 3.073 20 30 EGEDRM CC(C)(C)c1cc(C(=O)[O-])c(NC(=O)c2cc(C#N)ccn2)s1 ZINC001590463108 990037255 /nfs/dbraw/zinc/03/72/55/990037255.db2.gz FLCFTALOPGQRPN-UHFFFAOYSA-N -1 0 329.381 3.263 20 30 EGEDRM CC(C)(C)c1csc(NC(=O)N[C@H]2CCC[C@H]2C(=O)[O-])c1C#N ZINC001590536536 990148261 /nfs/dbraw/zinc/14/82/61/990148261.db2.gz DREAAJYHQOZWIS-SKDRFNHKSA-N -1 0 335.429 3.292 20 30 EGEDRM CN(C(=O)/C=C/c1cc(C(=O)[O-])co1)c1ccc(C#N)c(Cl)c1 ZINC001598006626 990160893 /nfs/dbraw/zinc/16/08/93/990160893.db2.gz PRBXRVLMLCJKST-SNAWJCMRSA-N -1 0 330.727 3.179 20 30 EGEDRM CN(C(=O)Nc1cccc(SCCC(=O)[O-])c1)[C@@H]1CCC[C@H]1C#N ZINC001598061697 990334795 /nfs/dbraw/zinc/33/47/95/990334795.db2.gz MLYRAFYGMFRUNM-SWLSCSKDSA-N -1 0 347.440 3.409 20 30 EGEDRM CC(C)[C@@H](OC(=O)c1cn(CCCC#N)c2ccccc12)C(=O)[O-] ZINC001591045935 991429384 /nfs/dbraw/zinc/42/93/84/991429384.db2.gz VTXGTUBFMWNJIC-MRXNPFEDSA-N -1 0 328.368 3.211 20 30 EGEDRM CN(CC#Cc1ccccc1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001598375672 991561056 /nfs/dbraw/zinc/56/10/56/991561056.db2.gz BMEXILJNWWPTPB-KRWDZBQOSA-N -1 0 333.309 3.213 20 30 EGEDRM CC(C)CC(=O)Nc1ccc(Nc2ccc(C(=O)[O-])nc2C#N)cc1 ZINC001591110838 991762931 /nfs/dbraw/zinc/76/29/31/991762931.db2.gz FRKRFSDNWOOTPO-UHFFFAOYSA-N -1 0 338.367 3.380 20 30 EGEDRM CN(CCC#N)c1ccc(CNc2nc3c(cccc3C(=O)[O-])[nH]2)cc1 ZINC001598468429 991986481 /nfs/dbraw/zinc/98/64/81/991986481.db2.gz AOHOQZRSQJZMPP-UHFFFAOYSA-N -1 0 349.394 3.223 20 30 EGEDRM CN(CCOc1ccccc1Cl)Cc1cccc(C(=O)[O-])c1C#N ZINC001598499781 992418902 /nfs/dbraw/zinc/41/89/02/992418902.db2.gz LLFZRIBNTGJOSD-UHFFFAOYSA-N -1 0 344.798 3.421 20 30 EGEDRM CN(Cc1ccc(C#N)cc1)c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC001598509290 992548465 /nfs/dbraw/zinc/54/84/65/992548465.db2.gz OEVNLIPYRDKSTP-VQHVLOKHSA-N -1 0 337.335 3.201 20 30 EGEDRM COc1ccc(NC(=O)N(CCC#N)CCC(C)C)c(C(=O)[O-])c1 ZINC001599592084 993697755 /nfs/dbraw/zinc/69/77/55/993697755.db2.gz PZPHTAHZUCCWBT-UHFFFAOYSA-N -1 0 333.388 3.187 20 30 EGEDRM COc1ccc2ncc(C#N)c(OC[C@@H]3CCCC[C@H]3C(=O)[O-])c2c1 ZINC001599634810 994271082 /nfs/dbraw/zinc/27/10/82/994271082.db2.gz HUPGGLIAXOZXOI-SWLSCSKDSA-N -1 0 340.379 3.385 20 30 EGEDRM C[C@@H](OC(=O)C1(c2ccc(C#N)cc2)CC1)c1cc(C(=O)[O-])co1 ZINC001593497090 995481650 /nfs/dbraw/zinc/48/16/50/995481650.db2.gz VUHHEDPXYFOLNB-LLVKDONJSA-N -1 0 325.320 3.185 20 30 EGEDRM C[C@H](Oc1ccccc1/C=C1/CCc2scnc2C1=O)C(=O)[O-] ZINC001593645381 995973552 /nfs/dbraw/zinc/97/35/52/995973552.db2.gz RSTPAUWSTWXZNG-UVIKPUKZSA-N -1 0 329.377 3.208 20 30 EGEDRM C[C@]1(C#N)CCCN([C@@H](C(=O)[O-])c2ccccc2Br)C1 ZINC001593742547 996360611 /nfs/dbraw/zinc/36/06/11/996360611.db2.gz AUPPUQJVPFOLDP-UKRRQHHQSA-N -1 0 337.217 3.200 20 30 EGEDRM COc1ccc(C(=O)[O-])c(OC(=O)[C@H](C)Cc2ccc(C#N)cc2)c1 ZINC001599491148 996941544 /nfs/dbraw/zinc/94/15/44/996941544.db2.gz GRMJVFFAJTZKQW-GFCCVEGCSA-N -1 0 339.347 3.049 20 30 EGEDRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)c1ccc(F)c(C#N)c1 ZINC001599398506 997172494 /nfs/dbraw/zinc/17/24/94/997172494.db2.gz KWNHVBGCCREPAY-XVNBXDOJSA-N -1 0 341.294 3.023 20 30 EGEDRM COc1cc(C#N)ccc1C(=O)O[C@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC001599349396 998066427 /nfs/dbraw/zinc/06/64/27/998066427.db2.gz ROURLDQMZZAUII-SNVBAGLBSA-N -1 0 329.308 3.085 20 30 EGEDRM COC(=O)c1cc(OCC#Cc2ccc(Cl)cc2)cc(C(=O)[O-])c1 ZINC001598949665 998124169 /nfs/dbraw/zinc/12/41/69/998124169.db2.gz NILNNQPCTSVMRA-UHFFFAOYSA-N -1 0 344.750 3.255 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1NCCCOc1ccc(C#N)cc1 ZINC001599376086 998488774 /nfs/dbraw/zinc/48/87/74/998488774.db2.gz WEFBPLBQZHSIQE-UHFFFAOYSA-N -1 0 326.352 3.146 20 30 EGEDRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)Nc1scc(C(C)(C)C)c1C#N ZINC001594155628 998562769 /nfs/dbraw/zinc/56/27/69/998562769.db2.gz DBKDUWKYRGEUNU-NXEZZACHSA-N -1 0 335.429 3.244 20 30 EGEDRM COc1ccc(/C=C(/C(=O)C(=O)[O-])c2ccc3ccccc3n2)cc1 ZINC000035132360 213009301 /nfs/dbraw/zinc/00/93/01/213009301.db2.gz JSKMYLXATJFSTJ-FOWTUZBSSA-N -1 0 333.343 3.438 20 30 EGEDRM C=CCCOCC(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC000677802635 549333764 /nfs/dbraw/zinc/33/37/64/549333764.db2.gz RGZIKALDNIBZPL-UHFFFAOYSA-N -1 0 334.597 3.339 20 30 EGEDRM N#Cc1cc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])ccc1F ZINC000346853903 142647734 /nfs/dbraw/zinc/64/77/34/142647734.db2.gz YAZNSNXEVGAASH-UHFFFAOYSA-N -1 0 335.678 3.217 20 30 EGEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc3[nH]ccc32)c1 ZINC000186978989 144148996 /nfs/dbraw/zinc/14/89/96/144148996.db2.gz HHEWTNQIBQIRAH-UHFFFAOYSA-N -1 0 331.784 3.494 20 30 EGEDRM CN(Cc1nc(=O)c2sccc2[n-]1)Cc1ccc(Cl)cc1C#N ZINC000187560094 144161159 /nfs/dbraw/zinc/16/11/59/144161159.db2.gz IHFGMYOKZAPTRH-UHFFFAOYSA-N -1 0 344.827 3.142 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)NCC[C@@H](C)c2ccccc2)cc1C#N ZINC000337145307 163142980 /nfs/dbraw/zinc/14/29/80/163142980.db2.gz PFIRWCXGZOOKAQ-GFCCVEGCSA-N -1 0 341.436 3.304 20 30 EGEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1ccccc1N1CCCCC1 ZINC000340238096 163516882 /nfs/dbraw/zinc/51/68/82/163516882.db2.gz RDHRANXPNLFIAO-UHFFFAOYSA-N -1 0 341.436 3.349 20 30 EGEDRM CC(C)n1cc(C#N)c([N-]S(=O)(=O)c2csc3ccccc32)n1 ZINC000350127860 165007935 /nfs/dbraw/zinc/00/79/35/165007935.db2.gz RTIBQVOIPSRMPM-UHFFFAOYSA-N -1 0 346.437 3.351 20 30 EGEDRM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000350894646 165079040 /nfs/dbraw/zinc/07/90/40/165079040.db2.gz IQQDNAQOOUODDB-UHFFFAOYSA-N -1 0 339.779 3.193 20 30 EGEDRM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(C)c1Cl ZINC000350946400 165083635 /nfs/dbraw/zinc/08/36/35/165083635.db2.gz ZBQCCWLAVBQGTM-UHFFFAOYSA-N -1 0 335.816 3.363 20 30 EGEDRM CCc1c([N-]S(=O)(=O)c2cccc(C#N)c2)cnn1C(CC)CC ZINC000359661415 167205070 /nfs/dbraw/zinc/20/50/70/167205070.db2.gz GISUWJCFOBULQY-UHFFFAOYSA-N -1 0 346.456 3.479 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cnccc2-c2cccc(F)c2)o1 ZINC000368007494 168295855 /nfs/dbraw/zinc/29/58/55/168295855.db2.gz QGBYIPFGCFVWLX-UHFFFAOYSA-N -1 0 343.339 3.153 20 30 EGEDRM CCC(CC)c1n[n-]c(=NC(=O)NCc2ccc(C#N)s2)s1 ZINC000421076645 270048908 /nfs/dbraw/zinc/04/89/08/270048908.db2.gz YYXZFVPGMHZWHV-UHFFFAOYSA-N -1 0 335.458 3.118 20 30 EGEDRM CC(=Cc1ccc(OCC(F)F)cc1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000435337917 270051173 /nfs/dbraw/zinc/05/11/73/270051173.db2.gz ZQQAYWBBGPHOPJ-JXMROGBWSA-N -1 0 331.322 3.154 20 30 EGEDRM CC(C)Oc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435473978 270051332 /nfs/dbraw/zinc/05/13/32/270051332.db2.gz LFVCJAWRINAFTL-UHFFFAOYSA-N -1 0 340.401 3.347 20 30 EGEDRM Cc1nc(Sc2n[n-]c(=NCc3ccccc3)s2)ccc1C#N ZINC000487938672 270056153 /nfs/dbraw/zinc/05/61/53/270056153.db2.gz JUHLQACRTUAYIU-UHFFFAOYSA-N -1 0 339.449 3.298 20 30 EGEDRM CCc1ccc(CNS(=O)(=O)c2ccc(Cl)cc2C#N)s1 ZINC000443112675 270051997 /nfs/dbraw/zinc/05/19/97/270051997.db2.gz WQCYJMFHCKJBKW-UHFFFAOYSA-N -1 0 340.857 3.314 20 30 EGEDRM CO[C@@H](C)CS(=O)(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000193344045 266025994 /nfs/dbraw/zinc/02/59/94/266025994.db2.gz JVRUBAGSZXFOGI-ZDUSSCGKSA-N -1 0 346.408 3.127 20 30 EGEDRM COc1cc(SC)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000193272714 266845677 /nfs/dbraw/zinc/84/56/77/266845677.db2.gz CTXSESNJBDQCBJ-UHFFFAOYSA-N -1 0 334.422 3.090 20 30 EGEDRM CCCOc1cc(C)ccc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000515631936 267027582 /nfs/dbraw/zinc/02/75/82/267027582.db2.gz HKENFXDQKSQASK-UHFFFAOYSA-N -1 0 330.409 3.456 20 30 EGEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2)nn1C1CCCCC1 ZINC000290600837 267348825 /nfs/dbraw/zinc/34/88/25/267348825.db2.gz YWRCDSPLPGMMMC-UHFFFAOYSA-N -1 0 344.440 3.369 20 30 EGEDRM Cc1ccc2c(ncc(C#N)c2N[C@H](C)CC(=O)[O-])c1Br ZINC000416424054 268047438 /nfs/dbraw/zinc/04/74/38/268047438.db2.gz AAQVFVSZZMRZJK-SECBINFHSA-N -1 0 348.200 3.453 20 30 EGEDRM Cc1cccc(S(=O)(=O)[N-]c2ccccc2OCC2CC2)c1C#N ZINC000440806702 268056241 /nfs/dbraw/zinc/05/62/41/268056241.db2.gz GZNZOHFIBMCXOB-UHFFFAOYSA-N -1 0 342.420 3.456 20 30 EGEDRM N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2cc(Cl)c([O-])cc2F)cc1 ZINC000345620062 268087092 /nfs/dbraw/zinc/08/70/92/268087092.db2.gz HVXKCUZRFCCUFV-LBPRGKRZSA-N -1 0 343.745 3.377 20 30 EGEDRM Cc1occc1-c1n[n-]c(=NCc2ccc(F)c(C#N)c2Cl)o1 ZINC000432422731 268106152 /nfs/dbraw/zinc/10/61/52/268106152.db2.gz GLLXVKDNMLGIIR-UHFFFAOYSA-N -1 0 332.722 3.336 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(C3CCCCC3)[nH]n2)cc1 ZINC000531629930 268260132 /nfs/dbraw/zinc/26/01/32/268260132.db2.gz PLTFREXVNUHVDD-UHFFFAOYSA-N -1 0 330.413 3.130 20 30 EGEDRM N#CC(=C([O-])c1occc1COc1cccc(C#N)c1)c1ccncn1 ZINC000354459423 268275808 /nfs/dbraw/zinc/27/58/08/268275808.db2.gz DDIDULOAUZWGSM-MRXNPFEDSA-N -1 0 344.330 3.010 20 30 EGEDRM N#Cc1ncccc1S(=O)(=O)NC1CCC2(CCCCC2)CC1 ZINC000428392565 268324389 /nfs/dbraw/zinc/32/43/89/268324389.db2.gz JSQVJFOKOODEDO-UHFFFAOYSA-N -1 0 333.457 3.125 20 30 EGEDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc(C#N)cc2F)cc1C ZINC000135365070 307701459 /nfs/dbraw/zinc/70/14/59/307701459.db2.gz XEIHLKPEEGSRSD-UHFFFAOYSA-N -1 0 349.343 3.023 20 30 EGEDRM CCOc1ccc(OC)cc1[N-]S(=O)(=O)c1cccc(C)c1C#N ZINC000137457641 307717660 /nfs/dbraw/zinc/71/76/60/307717660.db2.gz FRPKLYFGZCINLO-UHFFFAOYSA-N -1 0 346.408 3.075 20 30 EGEDRM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(C)c2C#N)c(C)c1 ZINC000540567536 314389211 /nfs/dbraw/zinc/38/92/11/314389211.db2.gz KJEGYRLRJYTMHL-UHFFFAOYSA-N -1 0 330.409 3.293 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(F)c2)c(F)c1 ZINC000158055132 455263820 /nfs/dbraw/zinc/26/38/20/455263820.db2.gz WZQSXKWFAHBHMH-UHFFFAOYSA-N -1 0 328.727 3.291 20 30 EGEDRM COc1cc(/C=C/C(=O)c2ccc(C(=O)[O-])s2)cc(OC)c1O ZINC000007333315 453059922 /nfs/dbraw/zinc/05/99/22/453059922.db2.gz BXQFANQLAZKTQS-ONEGZZNKSA-N -1 0 334.349 3.065 20 30 EGEDRM CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2ccccc2C#N)cc1 ZINC000026547841 453802711 /nfs/dbraw/zinc/80/27/11/453802711.db2.gz MBJOCNKUVOLPFY-UHFFFAOYSA-N -1 0 325.393 3.160 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2O)cc1C(F)(F)F ZINC000083536708 453950366 /nfs/dbraw/zinc/95/03/66/453950366.db2.gz RKARPOZJATVBMD-UHFFFAOYSA-N -1 0 342.298 3.083 20 30 EGEDRM COC(=O)c1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)s1 ZINC000041541415 453971573 /nfs/dbraw/zinc/97/15/73/453971573.db2.gz ZVFIAHQSVDQXFW-VIFPVBQESA-N -1 0 326.333 3.166 20 30 EGEDRM COCc1c2ccccc2oc1C([O-])=C(C#N)c1cc(C)nc(C)n1 ZINC000041574698 453973249 /nfs/dbraw/zinc/97/32/49/453973249.db2.gz NHUVKTJKLBDHIK-AWEZNQCLSA-N -1 0 335.363 3.476 20 30 EGEDRM COc1ccc([N+](=O)[O-])c(C([O-])=C(C#N)c2nc3ccccc3o2)c1 ZINC000067893597 453977753 /nfs/dbraw/zinc/97/77/53/453977753.db2.gz OLEJRXFPXRTUIT-LBPRGKRZSA-N -1 0 337.291 3.235 20 30 EGEDRM Cc1ccc2cccc(S(=O)(=O)[N-]c3ccc(F)c(C#N)c3)c2n1 ZINC000084920489 454015501 /nfs/dbraw/zinc/01/55/01/454015501.db2.gz VFAXCVKKHHYYAO-UHFFFAOYSA-N -1 0 341.367 3.355 20 30 EGEDRM O=C(C=CC1CC1)[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000076755966 454033816 /nfs/dbraw/zinc/03/38/16/454033816.db2.gz SAVYTNKWOZWLKA-FPYGCLRLSA-N -1 0 330.203 3.061 20 30 EGEDRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)C1CCCCCCC1 ZINC000076761337 454034771 /nfs/dbraw/zinc/03/47/71/454034771.db2.gz FGMRWTLNHFMGKC-UHFFFAOYSA-N -1 0 327.450 3.043 20 30 EGEDRM COc1ccccc1S(=O)(=O)[N-]c1cc(C#N)ccc1OC(C)C ZINC000057122645 454103649 /nfs/dbraw/zinc/10/36/49/454103649.db2.gz AZFZQVIHFFKQCF-UHFFFAOYSA-N -1 0 346.408 3.155 20 30 EGEDRM CCCn1nc(C)c(C([O-])=C(C#N)c2cnc3ccccc3n2)c1C ZINC000190900585 455401552 /nfs/dbraw/zinc/40/15/52/455401552.db2.gz OHNQHZUJXSUQLH-CQSZACIVSA-N -1 0 333.395 3.343 20 30 EGEDRM O=C(C=Cc1ccc2c(c1)CCO2)[N-]S(=O)(=O)Cc1ccccc1 ZINC000069612549 454124164 /nfs/dbraw/zinc/12/41/64/454124164.db2.gz CKDJQZONISXRAX-CLFYSBASSA-N -1 0 343.404 3.121 20 30 EGEDRM C=CCS(=O)(=O)[N-]C(=O)C=Cc1c(C)nn(CCCC)c1Cl ZINC000089286211 454133003 /nfs/dbraw/zinc/13/30/03/454133003.db2.gz KMKBQSDYFVOUCN-BQYQJAHWSA-N -1 0 345.852 3.131 20 30 EGEDRM O=C(C=Cc1ccc2c(c1)CCO2)[N-]S(=O)(=O)c1cccs1 ZINC000077942341 454171643 /nfs/dbraw/zinc/17/16/43/454171643.db2.gz IFJTYJZHEZXUNV-GQCTYLIASA-N -1 0 335.406 3.042 20 30 EGEDRM C[C@@H]1COCCN1c1ccc(/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000078022805 454177083 /nfs/dbraw/zinc/17/70/83/454177083.db2.gz RBKXVYSZXRNIJX-OTGIAGGSSA-N -1 0 341.367 3.276 20 30 EGEDRM N#CC(=C([O-])c1cnc([C@H]2CCCO2)s1)c1nc2ccccc2[nH]1 ZINC000089964414 454248479 /nfs/dbraw/zinc/24/84/79/454248479.db2.gz XIUBHVLJPHBBGN-ZWNOBZJWSA-N -1 0 338.392 3.361 20 30 EGEDRM CCC(CC)S(=O)(=O)[N-]C(=O)C=Cc1ccccc1[N+](=O)[O-] ZINC000073838333 454489546 /nfs/dbraw/zinc/48/95/46/454489546.db2.gz NHVZUUXODNIOCB-MDZDMXLPSA-N -1 0 326.374 3.083 20 30 EGEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1ccc(-c2cnco2)cc1 ZINC000103691389 454564831 /nfs/dbraw/zinc/56/48/31/454564831.db2.gz BNURKHWOPWYKKV-INIZCTEOSA-N -1 0 337.379 3.113 20 30 EGEDRM CC(C)CCn1cc(C([O-])=C(C#N)c2nc(C(C)C)cs2)nn1 ZINC000080460382 454584463 /nfs/dbraw/zinc/58/44/63/454584463.db2.gz CXDVANKVILPKTR-GFCCVEGCSA-N -1 0 331.445 3.394 20 30 EGEDRM N#CC(=C([O-])c1ccc(C#N)c(Cl)c1)c1nnc2n1CCCCC2 ZINC000123948006 454689956 /nfs/dbraw/zinc/68/99/56/454689956.db2.gz GFPIUMKEEPFANF-CYBMUJFWSA-N -1 0 339.786 3.020 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2cnn(-c3ccccc3F)c2)n1 ZINC000126209980 454877720 /nfs/dbraw/zinc/87/77/20/454877720.db2.gz BEZIADLXTXAGNH-LBPRGKRZSA-N -1 0 326.356 3.266 20 30 EGEDRM CCCc1ccc(S(=O)(=O)[N-]c2nn(C(C)C)cc2C#N)cc1 ZINC000160663711 455485607 /nfs/dbraw/zinc/48/56/07/455485607.db2.gz FQBADCYHVZZLJN-UHFFFAOYSA-N -1 0 332.429 3.089 20 30 EGEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1cnoc1-c1ccccc1 ZINC000182483484 455522816 /nfs/dbraw/zinc/52/28/16/455522816.db2.gz ATIVOUURQHKFHE-UHFFFAOYSA-N -1 0 325.349 3.014 20 30 EGEDRM CCOc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C#N)cc1 ZINC000192730508 455680804 /nfs/dbraw/zinc/68/08/04/455680804.db2.gz WTUGOZUBZUPBPJ-UHFFFAOYSA-N -1 0 336.800 3.411 20 30 EGEDRM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1ccccc1CC#N ZINC000193355471 455754318 /nfs/dbraw/zinc/75/43/18/455754318.db2.gz FBZHMSAEXICVEW-UHFFFAOYSA-N -1 0 346.456 3.023 20 30 EGEDRM CC(C)(C)NC(=O)c1cccc(NC(=O)c2ccc(C#N)c([O-])c2)c1 ZINC000188328499 456044249 /nfs/dbraw/zinc/04/42/49/456044249.db2.gz KBAFUTKLGXGHAU-UHFFFAOYSA-N -1 0 337.379 3.044 20 30 EGEDRM C=CCC[C@H](NC(=O)[C@H](C)c1ccc(Br)cc1)C(=O)[O-] ZINC000262799630 456059313 /nfs/dbraw/zinc/05/93/13/456059313.db2.gz COGPLOVMDSDBEV-MFKMUULPSA-N -1 0 340.217 3.088 20 30 EGEDRM C=C(C)CN(Cc1ccccc1)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000263507577 456157993 /nfs/dbraw/zinc/15/79/93/456157993.db2.gz XPRJXXSCALNJOL-UHFFFAOYSA-N -1 0 330.428 3.418 20 30 EGEDRM C[C@]1(C/N=C/c2cc([N+](=O)[O-])ccc2[O-])OCCc2sccc21 ZINC000290483577 456340805 /nfs/dbraw/zinc/34/08/05/456340805.db2.gz HIISHFQHLGAQEE-BRMCRPDNSA-N -1 0 332.381 3.269 20 30 EGEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3c[nH]nc3C)n2)cc1 ZINC000347748848 456346940 /nfs/dbraw/zinc/34/69/40/456346940.db2.gz HMRDJSWPWSPUSW-ZDUSSCGKSA-N -1 0 338.392 3.340 20 30 EGEDRM C=CCOc1cccc([N-]S(=O)(=O)c2cc(OC)cc(OC)c2)c1 ZINC000343018337 456358582 /nfs/dbraw/zinc/35/85/82/456358582.db2.gz VIDAVMQDDDNNEY-UHFFFAOYSA-N -1 0 349.408 3.069 20 30 EGEDRM Cc1ccsc1S(=O)(=O)[N-]c1c(C#N)cnn1C1CCCC1 ZINC000337749856 456522049 /nfs/dbraw/zinc/52/20/49/456522049.db2.gz FMTHXOUFZOYFPH-UHFFFAOYSA-N -1 0 336.442 3.041 20 30 EGEDRM C=CCOc1ccc(C(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)cc1 ZINC000327162400 456703170 /nfs/dbraw/zinc/70/31/70/456703170.db2.gz XMVQLNUQIJYDPQ-SFHVURJKSA-N -1 0 337.375 3.076 20 30 EGEDRM COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)c(Cl)c1 ZINC000340944409 456775047 /nfs/dbraw/zinc/77/50/47/456775047.db2.gz WGOOLUJORFFHHF-UHFFFAOYSA-N -1 0 340.763 3.160 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cccnc2C2CC2)n1 ZINC000344444880 456828350 /nfs/dbraw/zinc/82/83/50/456828350.db2.gz WJKGWVLAXSBUOB-GFCCVEGCSA-N -1 0 341.392 3.082 20 30 EGEDRM CCCc1n[n-]c(=NC(=O)N[C@@H]2CCOc3c(C)cccc32)s1 ZINC000329918426 456960560 /nfs/dbraw/zinc/96/05/60/456960560.db2.gz FXCBMFVOPPRMED-GFCCVEGCSA-N -1 0 332.429 3.071 20 30 EGEDRM C=CCOc1cccc(NC(=O)c2nn(-c3ccccc3)cc2[O-])c1 ZINC000362607955 457003205 /nfs/dbraw/zinc/00/32/05/457003205.db2.gz GUBJDWMKOCKRNC-UHFFFAOYSA-N -1 0 335.363 3.395 20 30 EGEDRM C=CCC(CC=C)C(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)[O-] ZINC000345912127 457005654 /nfs/dbraw/zinc/00/56/54/457005654.db2.gz QVOHACHQSOOBGJ-KRWDZBQOSA-N -1 0 344.386 3.187 20 30 EGEDRM CN(C)c1cc(C#N)cc(C([O-])=C(C#N)c2cnc3ccccc3n2)c1 ZINC000346246527 457026313 /nfs/dbraw/zinc/02/63/13/457026313.db2.gz SWDFWCWDMNQKQI-MRXNPFEDSA-N -1 0 341.374 3.058 20 30 EGEDRM N#CC(=C([O-])c1ccc(COc2ccc(F)cc2)o1)c1ccncn1 ZINC000354460936 457238564 /nfs/dbraw/zinc/23/85/64/457238564.db2.gz GHFSIXYVGVSHLP-OAHLLOKOSA-N -1 0 337.310 3.278 20 30 EGEDRM CCN(CCC#N)C(=O)N=c1nc(-c2ccccc2Cl)[n-]s1 ZINC000351214787 457241671 /nfs/dbraw/zinc/24/16/71/457241671.db2.gz LWAWMGRLRSGLOL-UHFFFAOYSA-N -1 0 335.820 3.048 20 30 EGEDRM O=C([O-])COc1cccc(/C=C2\COc3c(F)cc(F)cc3C2=O)c1 ZINC000363531151 457359081 /nfs/dbraw/zinc/35/90/81/457359081.db2.gz VOOVSLKFXSBSBS-NYYWCZLTSA-N -1 0 346.285 3.087 20 30 EGEDRM Cc1cc2sc([N-]S(=O)(=O)c3ccc(C#N)o3)nc2cc1F ZINC000342572658 457372085 /nfs/dbraw/zinc/37/20/85/457372085.db2.gz QWKYCYXRRJSALS-UHFFFAOYSA-N -1 0 337.357 3.009 20 30 EGEDRM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccccc1CC#N ZINC000357340593 457459015 /nfs/dbraw/zinc/45/90/15/457459015.db2.gz IDTXTEXHCVBZGG-UHFFFAOYSA-N -1 0 345.380 3.024 20 30 EGEDRM CC[C@H](C)n1nc([N-]S(=O)(=O)c2ccc(C#N)cc2C)cc1C ZINC000342773776 457516764 /nfs/dbraw/zinc/51/67/64/457516764.db2.gz CBKJWJQHXHQRGE-LBPRGKRZSA-N -1 0 332.429 3.143 20 30 EGEDRM C=CC[C@H]1N(S(=O)(=O)c2csc(C(=O)[O-])c2)CCCC1(C)C ZINC000435467852 458152124 /nfs/dbraw/zinc/15/21/24/458152124.db2.gz LHHVJQKHXVJFMH-CYBMUJFWSA-N -1 0 343.470 3.202 20 30 EGEDRM C=C[C@@H]1CCCCN1S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1C ZINC000447154784 458269183 /nfs/dbraw/zinc/26/91/83/458269183.db2.gz UURFYCPIARIBTQ-GFCCVEGCSA-N -1 0 343.832 3.076 20 30 EGEDRM C=CC[C@H](Cc1ccccc1)NC(=O)N=c1[n-]nc(C(F)F)s1 ZINC000416775236 458354598 /nfs/dbraw/zinc/35/45/98/458354598.db2.gz LPYDRCQFTSMXEC-LLVKDONJSA-N -1 0 338.383 3.207 20 30 EGEDRM C=C(C)CNC(=O)N=c1[n-]nc(-c2ccc(Cl)cc2F)s1 ZINC000471313013 458690044 /nfs/dbraw/zinc/69/00/44/458690044.db2.gz DUBPMFPCAXWTNR-UHFFFAOYSA-N -1 0 326.784 3.117 20 30 EGEDRM N#Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000494535556 458695043 /nfs/dbraw/zinc/69/50/43/458695043.db2.gz DLORBQKCUCIEAO-UHFFFAOYSA-N -1 0 330.384 3.377 20 30 EGEDRM C=CCN=c1[n-]nc(SCc2cccc(OC(C)(C)C)n2)s1 ZINC000507509704 458755066 /nfs/dbraw/zinc/75/50/66/458755066.db2.gz UMOXNRHLGJTTEG-UHFFFAOYSA-N -1 0 336.486 3.423 20 30 EGEDRM N#Cc1cc(-c2cc(F)ccc2OC[C@H]2CCOC2)ccc1C(=O)[O-] ZINC000566495179 458948057 /nfs/dbraw/zinc/94/80/57/458948057.db2.gz UUPHKIDHHDXJHI-LBPRGKRZSA-N -1 0 341.338 3.478 20 30 EGEDRM C[C@@H](NC(=O)N[C@@H](C)c1ccc(C#N)cc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000594522947 459079397 /nfs/dbraw/zinc/07/93/97/459079397.db2.gz MOAUVXIGNJVYSW-SHUKQUCYSA-N -1 0 343.427 3.054 20 30 EGEDRM C=CCCSCCNC(=O)N[C@@H](C(=O)[O-])c1ccc(C)c(C)c1 ZINC000594690169 459131372 /nfs/dbraw/zinc/13/13/72/459131372.db2.gz GPUKDSBUQICCAR-OAHLLOKOSA-N -1 0 336.457 3.038 20 30 EGEDRM CC(N=Nc1ccc(F)c(C(=O)[O-])c1)[C@H](C)NC(=O)OC(C)(C)C ZINC000496523784 459225342 /nfs/dbraw/zinc/22/53/42/459225342.db2.gz KRYYZBDYMHNUPK-VIFPVBQESA-N -1 0 339.367 3.225 20 30 EGEDRM C[C@H](C#N)CSc1ccccc1NC(=O)NCCCCC(=O)[O-] ZINC000591353099 459360623 /nfs/dbraw/zinc/36/06/23/459360623.db2.gz MBVFFARMIVLXIR-GFCCVEGCSA-N -1 0 335.429 3.315 20 30 EGEDRM CNC(=O)Oc1cccc(N=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])c1 ZINC000496893237 459360791 /nfs/dbraw/zinc/36/07/91/459360791.db2.gz SBOXGJAQCAPOGL-UHFFFAOYSA-N -1 0 349.730 3.423 20 30 EGEDRM C[C@@H](NCc1cccc(OCCCC#N)c1)c1ncc(C(=O)[O-])s1 ZINC000573444614 459678085 /nfs/dbraw/zinc/67/80/85/459678085.db2.gz HAOATRFDROKNJF-GFCCVEGCSA-N -1 0 345.424 3.375 20 30 EGEDRM C=CCC[C@@H](NC(=O)Nc1ccc(OCC(F)(F)F)cc1)C(=O)[O-] ZINC000562973959 459683616 /nfs/dbraw/zinc/68/36/16/459683616.db2.gz FDCXDNFBROPAKK-GFCCVEGCSA-N -1 0 346.305 3.169 20 30 EGEDRM CC(C)Oc1ccc(C#N)cc1[N-]S(=O)(=O)CCC(C)(C)C#N ZINC000593201097 459806139 /nfs/dbraw/zinc/80/61/39/459806139.db2.gz TWHVQEZIEJNEOI-UHFFFAOYSA-N -1 0 335.429 3.027 20 30 EGEDRM C=CCSc1ccccc1NC(=O)CN1C[C@@H](C(=O)[O-])CC[C@@H]1C ZINC000566219467 459824785 /nfs/dbraw/zinc/82/47/85/459824785.db2.gz DBDOAKULMZPRRQ-KBPBESRZSA-N -1 0 348.468 3.088 20 30 EGEDRM C=C[C@H]1CCCCN1C(=O)c1nn(-c2ccc(F)cc2F)cc1[O-] ZINC000614132575 460023176 /nfs/dbraw/zinc/02/31/76/460023176.db2.gz JAKVJCZNGUBDHC-LBPRGKRZSA-N -1 0 333.338 3.037 20 30 EGEDRM N#CCc1cccc(S(=O)(=O)[N-]c2nc3ccsc3s2)c1 ZINC000589585139 460106591 /nfs/dbraw/zinc/10/65/91/460106591.db2.gz SVODZUFFCFXXIW-UHFFFAOYSA-N -1 0 335.435 3.225 20 30 EGEDRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N([C@@H](C)C#N)C3CC3)n2)cc1 ZINC000598130610 460182698 /nfs/dbraw/zinc/18/26/98/460182698.db2.gz FYLZOEWHXQPZJW-ZDUSSCGKSA-N -1 0 338.411 3.218 20 30 EGEDRM CC(C)C[C@@H](NC(=O)N=c1[n-]n(C)cc1C#N)c1ccc(Cl)cc1 ZINC000610561018 460183708 /nfs/dbraw/zinc/18/37/08/460183708.db2.gz CMGUJBOWDIVSPW-OAHLLOKOSA-N -1 0 345.834 3.276 20 30 EGEDRM CC(C)(C)Oc1ccc(NC(=O)[C@H]2CCC[C@H]2C(=O)[O-])cc1C#N ZINC000601992372 460975829 /nfs/dbraw/zinc/97/58/29/460975829.db2.gz JSMUQXHHGWKLER-UONOGXRCSA-N -1 0 330.384 3.175 20 30 EGEDRM C=C(C)[C@H](NC(=O)[C@@H](C)S[C@H](C)C(=O)[O-])c1ccc(F)c(F)c1 ZINC000601993009 460976142 /nfs/dbraw/zinc/97/61/42/460976142.db2.gz RXLLIDGDVHYCLZ-RULNRJAQSA-N -1 0 343.395 3.293 20 30 EGEDRM C=CCC[C@@H](NC(=O)[C@@H]1C[C@H]1c1c(F)cccc1Cl)C(=O)[O-] ZINC000630183008 461053558 /nfs/dbraw/zinc/05/35/58/461053558.db2.gz RGQRUVGFVQWKPK-GIPNMCIBSA-N -1 0 325.767 3.118 20 30 EGEDRM N#CC(=C([O-])c1cc2n(n1)CCC2)c1nc2cc(F)ccc2s1 ZINC000651639350 462284850 /nfs/dbraw/zinc/28/48/50/462284850.db2.gz BXKKLOZORVOSOV-NSHDSACASA-N -1 0 326.356 3.068 20 30 EGEDRM C=CCc1cc(C(=O)N[C@@](C)(CC(=O)[O-])C(C)C)cc(OC)c1OC ZINC000263062628 534410381 /nfs/dbraw/zinc/41/03/81/534410381.db2.gz STFRJNFBWFACRM-IBGZPJMESA-N -1 0 349.427 3.052 20 30 EGEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)NC(C)(C)CCC(=O)[O-] ZINC000263504136 534972405 /nfs/dbraw/zinc/97/24/05/534972405.db2.gz UYXAHLSHBWLEOI-UHFFFAOYSA-N -1 0 333.388 3.110 20 30 EGEDRM C[C@H](CC(=O)N=c1ccc(C2CC2)n[n-]1)NC(=O)C1CCCCC1 ZINC000329345471 547496213 /nfs/dbraw/zinc/49/62/13/547496213.db2.gz USMAUMJEQSGXKL-GFCCVEGCSA-N -1 0 330.432 3.030 20 30 EGEDRM COc1cc(/C=C2/CCc3sccc3C2=O)ccc1OCC(=O)[O-] ZINC000726891402 574598044 /nfs/dbraw/zinc/59/80/44/574598044.db2.gz JAOJKEPEFKGFJW-WQLSENKSSA-N -1 0 344.388 3.433 20 30 EGEDRM C[C@@H]1C[C@@H](CC(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)CC(C)(C)C1 ZINC000727626088 574678090 /nfs/dbraw/zinc/67/80/90/574678090.db2.gz SNQDUBPEQZVEAP-HIFRSBDPSA-N -1 0 348.468 3.216 20 30 EGEDRM CCCCCC[C@H](C)CC(=O)[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000727951908 574705893 /nfs/dbraw/zinc/70/58/93/574705893.db2.gz PFXFIRPJEABKLC-AWEZNQCLSA-N -1 0 336.457 3.360 20 30 EGEDRM Cc1nc(CC(C)C)sc1C([O-])=C(C#N)C(=O)NC1CCCC1 ZINC000727954365 574706190 /nfs/dbraw/zinc/70/61/90/574706190.db2.gz OXRVWEQBBIZUJS-CYBMUJFWSA-N -1 0 333.457 3.031 20 30 EGEDRM C=CCN(C(=O)CSCC(=O)[O-])c1nc(-c2ccccc2)cs1 ZINC000738489557 574744071 /nfs/dbraw/zinc/74/40/71/574744071.db2.gz GKNRUEYOUSAUNC-UHFFFAOYSA-N -1 0 348.449 3.147 20 30 EGEDRM C[C@@H](Oc1cccc(C(=O)/C=C2\COc3ccc(F)cc32)c1)C(=O)[O-] ZINC000729148498 574818729 /nfs/dbraw/zinc/81/87/29/574818729.db2.gz AQWGSUNPECEWKY-KAQJVSAMSA-N -1 0 342.322 3.336 20 30 EGEDRM COCCOc1ccc(/C=C\C(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC000730464139 574990129 /nfs/dbraw/zinc/99/01/29/574990129.db2.gz IDXGUMPADRIZEZ-DAXSKMNVSA-N -1 0 332.377 3.368 20 30 EGEDRM C[C@@H](OC(=O)c1ccccc1SCc1ccc(C#N)cc1)C(=O)[O-] ZINC000737717461 574997137 /nfs/dbraw/zinc/99/71/37/574997137.db2.gz OSXRECRPOYJFEO-GFCCVEGCSA-N -1 0 341.388 3.480 20 30 EGEDRM COC(=O)c1ccc2[nH]cc(C=NNc3ccccc3C(=O)[O-])c2c1 ZINC000731925049 575220647 /nfs/dbraw/zinc/22/06/47/575220647.db2.gz PCEVLAQRBRAXFK-UHFFFAOYSA-N -1 0 337.335 3.099 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@@H](C)c2cccs2)n1 ZINC000738782280 575422058 /nfs/dbraw/zinc/42/20/58/575422058.db2.gz IUEPWEBQZDRAGZ-WDEREUQCSA-N -1 0 334.422 3.036 20 30 EGEDRM COc1ccc(C=NNc2cccc(C(=O)[O-])c2)c(OC(F)F)c1 ZINC000734092581 575438946 /nfs/dbraw/zinc/43/89/46/575438946.db2.gz USQBHWJVKVLLPE-UHFFFAOYSA-N -1 0 336.294 3.441 20 30 EGEDRM C=CCN(CC1CCCCC1)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000736108056 575897052 /nfs/dbraw/zinc/89/70/52/575897052.db2.gz IQHNKROWCNWBTA-UHFFFAOYSA-N -1 0 337.441 3.142 20 30 EGEDRM C=C(Cl)CNC(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000736094527 575898686 /nfs/dbraw/zinc/89/86/86/575898686.db2.gz JSTBCEHDUGZRIU-UHFFFAOYSA-N -1 0 328.821 3.269 20 30 EGEDRM C=CCOc1ccccc1CNC(=O)c1[nH]c(CC)c(C(=O)[O-])c1C ZINC000736114188 575900747 /nfs/dbraw/zinc/90/07/47/575900747.db2.gz NIYYSAAMJWMEQE-UHFFFAOYSA-N -1 0 342.395 3.079 20 30 EGEDRM C[C@](C#N)(NC(=O)CCc1ccc(C(=O)[O-])cc1)C1CCCCC1 ZINC000736203945 575915006 /nfs/dbraw/zinc/91/50/06/575915006.db2.gz WPHCPXQGVXVGQC-LJQANCHMSA-N -1 0 328.412 3.296 20 30 EGEDRM CC(C)Cc1nc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cs1 ZINC000736453139 575965502 /nfs/dbraw/zinc/96/55/02/575965502.db2.gz HSFZQVSNESFNCB-OAHLLOKOSA-N -1 0 344.392 3.196 20 30 EGEDRM CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000736471701 575969449 /nfs/dbraw/zinc/96/94/49/575969449.db2.gz MUNYGJYIEWMASR-UHFFFAOYSA-N -1 0 343.427 3.122 20 30 EGEDRM C[C@@H](S[C@@H](C)CC(=O)[O-])C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000736552456 575983185 /nfs/dbraw/zinc/98/31/85/575983185.db2.gz NJIXWKRSLLGKTL-NWDGAFQWSA-N -1 0 338.404 3.057 20 30 EGEDRM C[C@H](NC(=O)Nc1ccc(CNC(=O)[O-])cc1)c1ccc(C#N)cc1 ZINC000736648566 575995899 /nfs/dbraw/zinc/99/58/99/575995899.db2.gz GDMNLFLFICGNED-LBPRGKRZSA-N -1 0 338.367 3.209 20 30 EGEDRM C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1c1ccc(C#N)cc1F ZINC000736822915 576042478 /nfs/dbraw/zinc/04/24/78/576042478.db2.gz FHFNGXINWVHPHE-ZDUSSCGKSA-N -1 0 339.370 3.111 20 30 EGEDRM CCN(CC(=O)[O-])C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000737076046 576103637 /nfs/dbraw/zinc/10/36/37/576103637.db2.gz NJDYZKTYDJIZEZ-UHFFFAOYSA-N -1 0 342.326 3.036 20 30 EGEDRM CCSc1cc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)ccn1 ZINC000737231697 576140056 /nfs/dbraw/zinc/14/00/56/576140056.db2.gz QFWAOITYKPLRBL-OAHLLOKOSA-N -1 0 342.376 3.048 20 30 EGEDRM CN(Cc1ccc(NC(=O)Nc2ccc(F)c(C#N)c2)cc1)C(=O)[O-] ZINC000737481152 576236276 /nfs/dbraw/zinc/23/62/76/576236276.db2.gz XJGYCFFICRVTOI-UHFFFAOYSA-N -1 0 342.330 3.451 20 30 EGEDRM COc1ccc(OC)c(/C=C\C(=O)c2ccc(OCC(=O)[O-])cc2)c1 ZINC000738050321 576283038 /nfs/dbraw/zinc/28/30/38/576283038.db2.gz XVSCGURNABLSCH-UITAMQMPSA-N -1 0 342.347 3.063 20 30 EGEDRM Cc1[nH]c(C(=O)N(CCC#N)c2ccc(F)cc2)c(C)c1C(=O)[O-] ZINC000738157639 576294662 /nfs/dbraw/zinc/29/46/62/576294662.db2.gz CDHWNGBBGILCAI-UHFFFAOYSA-N -1 0 329.331 3.029 20 30 EGEDRM Cc1cc(C)cc(N(CCC#N)C(=O)CS[C@@H](C)CC(=O)[O-])c1 ZINC000738223570 576301976 /nfs/dbraw/zinc/30/19/76/576301976.db2.gz XQLRZDKNYGEPIC-AWEZNQCLSA-N -1 0 334.441 3.147 20 30 EGEDRM Cc1ccc([C@@H](CNc2ccc([N+](=O)[O-])cc2C#N)C(=O)[O-])cc1 ZINC000738569307 576337726 /nfs/dbraw/zinc/33/77/26/576337726.db2.gz RQVLHVMPDPDGGB-OAHLLOKOSA-N -1 0 325.324 3.055 20 30 EGEDRM N#CCCSc1ccccc1NC(=O)c1cccc(C(=O)[O-])n1 ZINC000739076487 576377023 /nfs/dbraw/zinc/37/70/23/576377023.db2.gz XCDXPNHIULXQNL-UHFFFAOYSA-N -1 0 327.365 3.038 20 30 EGEDRM N#Cc1cc(C(=O)[O-])cn(CCCOc2ccc3ccccc3c2)c1=O ZINC000739091777 576377457 /nfs/dbraw/zinc/37/74/57/576377457.db2.gz BIEQZWICYVWDNO-UHFFFAOYSA-N -1 0 348.358 3.040 20 30 EGEDRM N#Cc1cc(-c2ccccc2)sc1NC(=O)CCSCC(=O)[O-] ZINC000739093207 576377641 /nfs/dbraw/zinc/37/76/41/576377641.db2.gz MHRPHOIAOONUTI-UHFFFAOYSA-N -1 0 346.433 3.433 20 30 EGEDRM N#Cc1cc(F)ccc1CN(CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC000739099201 576377875 /nfs/dbraw/zinc/37/78/75/576377875.db2.gz QALDCRZFLMEDMK-UHFFFAOYSA-N -1 0 332.762 3.438 20 30 EGEDRM N#Cc1ccc([C@H](OC(=O)[C@H]2CSc3ccccc32)C(=O)[O-])cc1 ZINC000739110454 576378509 /nfs/dbraw/zinc/37/85/09/576378509.db2.gz QIXIKDJOXWJXPZ-HOCLYGCPSA-N -1 0 339.372 3.117 20 30 EGEDRM N#Cc1ccc([C@@H](OC(=O)c2ccc3ncsc3c2)C(=O)[O-])cc1 ZINC000739115856 576378743 /nfs/dbraw/zinc/37/87/43/576378743.db2.gz VRXOPNFKCBRNQE-OAHLLOKOSA-N -1 0 338.344 3.151 20 30 EGEDRM N#Cc1ccc([C@@H](OC(=O)c2cc(Cl)ccc2F)C(=O)[O-])cc1 ZINC000739116002 576378854 /nfs/dbraw/zinc/37/88/54/576378854.db2.gz WZNAUYWWRXTEQA-CQSZACIVSA-N -1 0 333.702 3.333 20 30 EGEDRM N#Cc1ccc(CC(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000739117690 576379006 /nfs/dbraw/zinc/37/90/06/576379006.db2.gz MNZFWFHUTZIPAX-MRXNPFEDSA-N -1 0 329.739 3.123 20 30 EGEDRM N#Cc1ccc(NC(=O)CNc2cccc(F)c2C(=O)[O-])cc1Cl ZINC000739122526 576379029 /nfs/dbraw/zinc/37/90/29/576379029.db2.gz HOQKEMLAONRQGC-UHFFFAOYSA-N -1 0 347.733 3.100 20 30 EGEDRM O=C([O-])c1ccc(O)c(C=NNC(=S)Nc2cccc(Cl)c2)c1 ZINC000740154543 576555540 /nfs/dbraw/zinc/55/55/40/576555540.db2.gz FTMHJSLNUSBMTF-UHFFFAOYSA-N -1 0 349.799 3.064 20 30 EGEDRM N#Cc1ccc(Oc2ccc(NC(=O)CSCC(=O)[O-])cc2)cc1 ZINC000740321752 576577106 /nfs/dbraw/zinc/57/71/06/576577106.db2.gz SMSUGRANIODULE-UHFFFAOYSA-N -1 0 342.376 3.107 20 30 EGEDRM CCOc1ccc(/C=N/[C@H]2CCN(c3ccc(C)cc3)C2=O)c(O)c1 ZINC000741465895 576688250 /nfs/dbraw/zinc/68/82/50/576688250.db2.gz ZGQZMJMMZNWINP-LANLRWRYSA-N -1 0 338.407 3.324 20 30 EGEDRM Cc1ccc(Oc2ccc(N=Cc3ccc(O)c(O)c3O)cc2)nn1 ZINC000741464083 576688385 /nfs/dbraw/zinc/68/83/85/576688385.db2.gz KQKDFOYNDWLIMY-UHFFFAOYSA-N -1 0 337.335 3.445 20 30 EGEDRM C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1cc(C)ccc1F ZINC000741657439 576708948 /nfs/dbraw/zinc/70/89/48/576708948.db2.gz QTXRMBBREKAGOI-UHFFFAOYSA-N -1 0 337.347 3.086 20 30 EGEDRM C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000741657453 576708974 /nfs/dbraw/zinc/70/89/74/576708974.db2.gz RKOXPBDIDUZTMZ-UHFFFAOYSA-N -1 0 339.775 3.292 20 30 EGEDRM COCc1ccc(/C=C/C(=O)c2ccc(OC)c(CC(=O)[O-])c2)cc1 ZINC000741849159 576727347 /nfs/dbraw/zinc/72/73/47/576727347.db2.gz ULDULYJCSDIXCG-VQHVLOKHSA-N -1 0 340.375 3.365 20 30 EGEDRM C[C@@H](/N=C\c1cc(Cl)cc(Cl)c1[O-])C(=O)NCc1ccco1 ZINC000743537889 576811442 /nfs/dbraw/zinc/81/14/42/576811442.db2.gz CRAWCWZWGUDVAB-FLGMGOKFSA-N -1 0 341.194 3.416 20 30 EGEDRM CCCCCCCCOCC(=O)[N-]S(=O)(=O)c1ccccc1C ZINC000744001951 576818764 /nfs/dbraw/zinc/81/87/64/576818764.db2.gz RHEPCBWCYGLQTM-UHFFFAOYSA-N -1 0 341.473 3.177 20 30 EGEDRM CCCCCCCCC(=O)[N-]S(=O)(=O)c1ccccc1OC ZINC000744210679 576823163 /nfs/dbraw/zinc/82/31/63/576823163.db2.gz ZHTUBOFYPKZZSY-UHFFFAOYSA-N -1 0 327.446 3.251 20 30 EGEDRM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1scnc1Cl ZINC000744936114 576837283 /nfs/dbraw/zinc/83/72/83/576837283.db2.gz LRAKEGAZSPGQKA-SSDOTTSWSA-N -1 0 340.191 3.411 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@H](C)c2cccc(F)c2)n1 ZINC000745367399 576846537 /nfs/dbraw/zinc/84/65/37/576846537.db2.gz BYFAUMQPPQTPKV-BXUZGUMPSA-N -1 0 346.383 3.114 20 30 EGEDRM C[C@H](C#N)CSc1ccccc1NC(=O)NC1(C(=O)[O-])CCCC1 ZINC000817728015 597205227 /nfs/dbraw/zinc/20/52/27/597205227.db2.gz UXXGJVCFRHXOLR-GFCCVEGCSA-N -1 0 347.440 3.457 20 30 EGEDRM N#CCC[C@H](NC(=O)NCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000821320708 597355405 /nfs/dbraw/zinc/35/54/05/597355405.db2.gz TYGQKIKPOJAQQY-KRWDZBQOSA-N -1 0 337.379 3.229 20 30 EGEDRM C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000820102490 597604463 /nfs/dbraw/zinc/60/44/63/597604463.db2.gz YDXJHDKNRVXGTG-VFZGTOFNSA-N -1 0 343.210 3.045 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)OCc1coc(-c2cccc(Cl)c2)n1 ZINC000819873770 597621669 /nfs/dbraw/zinc/62/16/69/597621669.db2.gz CUFIACWTWIAXPL-INIZCTEOSA-N -1 0 348.742 3.043 20 30 EGEDRM CC(C)(C)c1nc2cc(NC(=O)[C@](C)(C#N)CC(=O)[O-])ccc2o1 ZINC000819857098 597633781 /nfs/dbraw/zinc/63/37/81/597633781.db2.gz ROOXUNUHJCPVBG-KRWDZBQOSA-N -1 0 329.356 3.068 20 30 EGEDRM C[C@H](C#N)Oc1ccccc1NC(=O)Nc1ccccc1CC(=O)[O-] ZINC000819873872 597651563 /nfs/dbraw/zinc/65/15/63/597651563.db2.gz DZFLGWRZBFNQPB-GFCCVEGCSA-N -1 0 339.351 3.249 20 30 EGEDRM CCOc1cccc2cc([C@H](C)NC(=O)[C@@](C)(C#N)CC(=O)[O-])oc21 ZINC000820391678 598222970 /nfs/dbraw/zinc/22/29/70/598222970.db2.gz GWYOPTTXHDZUJT-BBATYDOGSA-N -1 0 344.367 3.013 20 30 EGEDRM Cc1csc(-c2ccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])cc2)n1 ZINC000821147131 598226219 /nfs/dbraw/zinc/22/62/19/598226219.db2.gz XSXAZPHBLQCCPV-INIZCTEOSA-N -1 0 329.381 3.062 20 30 EGEDRM C=CCNc1nnc(S[C@H](C(=O)[O-])c2ccccc2F)s1 ZINC000825692210 600831681 /nfs/dbraw/zinc/83/16/81/600831681.db2.gz NNKDGPZOBGWRCL-JTQLQIEISA-N -1 0 325.390 3.193 20 30 EGEDRM N#Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])cc1F ZINC000833076967 600962149 /nfs/dbraw/zinc/96/21/49/600962149.db2.gz UYFMTDBKLNQQBF-OLZOCXBDSA-N -1 0 340.310 3.149 20 30 EGEDRM N#Cc1ccccc1Oc1ccc(NC(=O)[C@H]2C[C@H]2C(=O)[O-])cc1F ZINC000833076968 600962169 /nfs/dbraw/zinc/96/21/69/600962169.db2.gz UYFMTDBKLNQQBF-QWHCGFSZSA-N -1 0 340.310 3.149 20 30 EGEDRM Cc1ccc(C(=O)[O-])cc1NC(=O)NCc1cc(C#N)ccc1F ZINC000832916258 600997438 /nfs/dbraw/zinc/99/74/38/600997438.db2.gz UUFJSORZWUASSM-UHFFFAOYSA-N -1 0 327.315 3.026 20 30 EGEDRM CC(C)CCN(CCC#N)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000826848821 601129937 /nfs/dbraw/zinc/12/99/37/601129937.db2.gz FWDDDZLFBUBHGT-UHFFFAOYSA-N -1 0 332.404 3.248 20 30 EGEDRM CC1=C(C(=O)[O-])[C@@H](c2ccc(C#N)s2)NC(=O)N1CCC(C)C ZINC000828133902 601201754 /nfs/dbraw/zinc/20/17/54/601201754.db2.gz BGXDXBDUXWYCPC-CQSZACIVSA-N -1 0 333.413 3.091 20 30 EGEDRM C=CCc1ccccc1OS(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000825706002 601207042 /nfs/dbraw/zinc/20/70/42/601207042.db2.gz XADZGJUBAOIRKV-RAXLEYEMSA-N -1 0 344.388 3.281 20 30 EGEDRM C#CCOc1ccc([C@H](C)OC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000825632323 601238851 /nfs/dbraw/zinc/23/88/51/601238851.db2.gz XOTAGMKCJCBILF-CWRNSKLLSA-N -1 0 330.380 3.194 20 30 EGEDRM N#Cc1ccc(C(=O)N(CC(=O)[O-])Cc2ccc(Cl)cc2)s1 ZINC000833070362 601277395 /nfs/dbraw/zinc/27/73/95/601277395.db2.gz AYDBDLCLJSLOSC-UHFFFAOYSA-N -1 0 334.784 3.000 20 30 EGEDRM O=C([O-])c1cc(C(=O)Nc2ccccc2C#Cc2ccccc2)ccn1 ZINC000833160765 601293162 /nfs/dbraw/zinc/29/31/62/601293162.db2.gz SAFSRKWVIQJXJO-UHFFFAOYSA-N -1 0 342.354 3.432 20 30 EGEDRM C[C@H](C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1ccccc1F ZINC000826061396 601352595 /nfs/dbraw/zinc/35/25/95/601352595.db2.gz QEBUHOSFVTZXBX-MEDUHNTESA-N -1 0 327.311 3.170 20 30 EGEDRM N#Cc1cccc([C@@H](OC(=O)c2cccc(F)c2Cl)C(=O)[O-])c1 ZINC000833076099 601355013 /nfs/dbraw/zinc/35/50/13/601355013.db2.gz IVAMQKXIQVRMNW-CQSZACIVSA-N -1 0 333.702 3.333 20 30 EGEDRM Cc1c(C(=O)/C=C/c2ccc(C(=O)[O-])cc2)cnn1-c1ccccn1 ZINC000748440222 601444413 /nfs/dbraw/zinc/44/44/13/601444413.db2.gz ACKGBPOYWVTYDP-JXMROGBWSA-N -1 0 333.347 3.170 20 30 EGEDRM Cc1cc(C(=O)Nc2ccc(F)c(C#N)c2)cc(C)c1OCC(=O)[O-] ZINC000832865169 601553308 /nfs/dbraw/zinc/55/33/08/601553308.db2.gz QNWRMWCQWGLDDU-UHFFFAOYSA-N -1 0 342.326 3.030 20 30 EGEDRM C[C@H](C(=O)[O-])[C@@H](NC(=O)Nc1ccc(CC#N)cc1)c1ccccc1 ZINC000826039184 601616178 /nfs/dbraw/zinc/61/61/78/601616178.db2.gz OPAJFDXWERYPQI-SUMWQHHRSA-N -1 0 337.379 3.336 20 30 EGEDRM Cc1ccc(F)cc1NC(=O)C=NOCc1ccc(C(=O)[O-])c(F)c1 ZINC000832934205 601634206 /nfs/dbraw/zinc/63/42/06/601634206.db2.gz KALXTAHUQCQNMY-UHFFFAOYSA-N -1 0 348.305 3.113 20 30 EGEDRM COc1ccc(C(=O)[O-])c(NCc2ccc(C#N)cc2OC(F)F)c1 ZINC000832179031 601787647 /nfs/dbraw/zinc/78/76/47/601787647.db2.gz PSWGRXSSBYOUMS-UHFFFAOYSA-N -1 0 348.305 3.479 20 30 EGEDRM Cc1ccc(N=C2NC(=O)/C(=C/c3c[nH]c(C(=O)[O-])c3)S2)c(C)c1 ZINC000832949225 601791170 /nfs/dbraw/zinc/79/11/70/601791170.db2.gz QKOROIMFPGZJFJ-AUWJEWJLSA-N -1 0 341.392 3.221 20 30 EGEDRM O=C([O-])c1cc(/C=C2\CC/C(=C/c3cccc([N+](=O)[O-])c3)C2=O)c[nH]1 ZINC000833355126 601792775 /nfs/dbraw/zinc/79/27/75/601792775.db2.gz JNMVAOHZIAWOQQ-SBLPDQQFSA-N -1 0 338.319 3.451 20 30 EGEDRM C=CCCCCCN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000825671510 601841696 /nfs/dbraw/zinc/84/16/96/601841696.db2.gz RVASPWUSPQATGI-UHFFFAOYSA-N -1 0 345.848 3.405 20 30 EGEDRM C=C(C)CN(CC)C(=O)[C@H](C)SCc1ccc(C(=O)[O-])s1 ZINC000825642332 601847189 /nfs/dbraw/zinc/84/71/89/601847189.db2.gz PQRXYHIXYQFZNZ-NSHDSACASA-N -1 0 327.471 3.493 20 30 EGEDRM N#Cc1ccccc1/C=C/C(=O)N[C@@H]1CCCCCC[C@H]1C(=O)[O-] ZINC000833075769 601912837 /nfs/dbraw/zinc/91/28/37/601912837.db2.gz WNHKXVXVZYKLLH-CSLLIFPHSA-N -1 0 326.396 3.111 20 30 EGEDRM N#Cc1cc(C(F)(F)F)ccc1C(=O)OCc1occc1C(=O)[O-] ZINC000833068843 602015675 /nfs/dbraw/zinc/01/56/75/602015675.db2.gz NLRKFPWVYVRCNZ-UHFFFAOYSA-N -1 0 339.225 3.225 20 30 EGEDRM C[C@H](Oc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1)C(=O)[O-] ZINC000794689805 602105288 /nfs/dbraw/zinc/10/52/88/602105288.db2.gz FDJYIVZOULGTRR-GXWOQWCDSA-N -1 0 340.331 3.163 20 30 EGEDRM COc1ccc(C(=O)/C=C\c2ccc(O[C@@H](C)C(=O)[O-])cc2)cc1 ZINC000794692847 602105644 /nfs/dbraw/zinc/10/56/44/602105644.db2.gz YDKCPZNNAPBEMW-XLVZXTRVSA-N -1 0 326.348 3.443 20 30 EGEDRM CC(C)n1cc(C(=O)/C=C\c2ccc(O[C@H](C)C(=O)[O-])cc2)cn1 ZINC000827884696 602111667 /nfs/dbraw/zinc/11/16/67/602111667.db2.gz YVAJSIRWCFFKEK-OYVUYXNMSA-N -1 0 328.368 3.212 20 30 EGEDRM C[C@@H](Oc1ccc(/C=C2/CCc3c(O)cccc3C2=O)cc1)C(=O)[O-] ZINC000794702665 602112202 /nfs/dbraw/zinc/11/22/02/602112202.db2.gz QZSCZGOEXSFYDB-POKNLVKOSA-N -1 0 338.359 3.457 20 30 EGEDRM C=CCn1c(S[C@H](CCCC)C(=O)[O-])nnc1-c1ccccn1 ZINC000825711047 602242736 /nfs/dbraw/zinc/24/27/36/602242736.db2.gz MPWMDJAWZDHDJS-CYBMUJFWSA-N -1 0 332.429 3.262 20 30 EGEDRM Cc1ccc(CC(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c(Cl)c1 ZINC000832928604 602342004 /nfs/dbraw/zinc/34/20/04/602342004.db2.gz GVRRQQQYSDDCRR-QGZVFWFLSA-N -1 0 343.766 3.432 20 30 EGEDRM Cc1ccc(N(CCC#N)C(=O)c2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000832936038 604297085 /nfs/dbraw/zinc/29/70/85/604297085.db2.gz UXMIQTOMCZXMJM-UHFFFAOYSA-N -1 0 326.327 3.393 20 30 EGEDRM CC(C)C(=O)Nc1cccc(NCc2cccc(C(=O)[O-])c2C#N)c1 ZINC000833466710 604538254 /nfs/dbraw/zinc/53/82/54/604538254.db2.gz MFZBNDFOBUOORQ-UHFFFAOYSA-N -1 0 337.379 3.463 20 30 EGEDRM C=C(C)[C@H](CC(=O)N1C[C@@H](C2CCCCC2)C[C@H]1C(=O)[O-])OCC ZINC000833366864 604560527 /nfs/dbraw/zinc/56/05/27/604560527.db2.gz DRLCKEBOZKSYDC-ULQDDVLXSA-N -1 0 337.460 3.240 20 30 EGEDRM CC(C)(C(=O)OCc1cccc(C(=O)[O-])c1C#N)c1ccc(F)cc1 ZINC000833418913 604582391 /nfs/dbraw/zinc/58/23/91/604582391.db2.gz PSNIRGSPYNECFU-UHFFFAOYSA-N -1 0 341.338 3.417 20 30 EGEDRM COCCOc1ccc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000831773595 604630146 /nfs/dbraw/zinc/63/01/46/604630146.db2.gz GIICOGDKEBNUON-NYYWCZLTSA-N -1 0 326.348 3.306 20 30 EGEDRM N#Cc1c(F)cccc1N(CCC(=O)[O-])Cc1cccc(F)c1F ZINC000833761326 604636306 /nfs/dbraw/zinc/63/63/06/604636306.db2.gz VJPOYUZPPPNWBA-UHFFFAOYSA-N -1 0 334.297 3.457 20 30 EGEDRM C#CC[C@@H](NC(=O)Cn1cc(C(=O)[O-])c2ccccc21)c1ccccc1 ZINC000833361088 604651751 /nfs/dbraw/zinc/65/17/51/604651751.db2.gz WIJNKVBWGYJBGK-GOSISDBHSA-N -1 0 346.386 3.220 20 30 EGEDRM CC(C)N(Cc1ccc(C#N)cc1)C(=O)Cc1cccc(C(=O)[O-])c1 ZINC000833497090 604724961 /nfs/dbraw/zinc/72/49/61/604724961.db2.gz YKUHAVSXAVUGCK-UHFFFAOYSA-N -1 0 336.391 3.236 20 30 EGEDRM C=C(C)[C@@H](CC(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1)OCC ZINC000833367516 604870140 /nfs/dbraw/zinc/87/01/40/604870140.db2.gz NCYKSXGNLLSJIM-HIFRSBDPSA-N -1 0 343.782 3.092 20 30 EGEDRM CCc1[nH]c(C(=O)Nc2ccc(C#N)cc2Cl)c(C)c1C(=O)[O-] ZINC000830197337 604913774 /nfs/dbraw/zinc/91/37/74/604913774.db2.gz SWHMRLUYGACIQW-UHFFFAOYSA-N -1 0 331.759 3.361 20 30 EGEDRM C=CCN(C(=O)Nc1ccc(Br)cc1C(=O)[O-])C1CC1 ZINC000162374374 604973411 /nfs/dbraw/zinc/97/34/11/604973411.db2.gz NVTOAFQTECPBHJ-UHFFFAOYSA-N -1 0 339.189 3.330 20 30 EGEDRM CC#CCNC(=O)c1ccccc1SCc1occc1C(=O)[O-] ZINC000833380876 605008938 /nfs/dbraw/zinc/00/89/38/605008938.db2.gz RFENOOUFRTZOSU-UHFFFAOYSA-N -1 0 329.377 3.023 20 30 EGEDRM C[C@H](C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1c(F)cccc1F ZINC000833408401 605035916 /nfs/dbraw/zinc/03/59/16/605035916.db2.gz YJWGZCOKRWXZIP-MGPLVRAMSA-N -1 0 345.301 3.309 20 30 EGEDRM C[C@@H](C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1c(F)cccc1F ZINC000833408399 605035960 /nfs/dbraw/zinc/03/59/60/605035960.db2.gz YJWGZCOKRWXZIP-HWPZZCPQSA-N -1 0 345.301 3.309 20 30 EGEDRM C[C@H](C(=O)[O-])n1cccc1CN=Nc1ncc(Cl)cc1Cl ZINC000833405681 605037785 /nfs/dbraw/zinc/03/77/85/605037785.db2.gz GTYHCNUUZBZBJR-MRVPVSSYSA-N -1 0 327.171 3.282 20 30 EGEDRM CC(C)Oc1ccc(NC(=O)C2CCC(C(=O)[O-])CC2)cc1C#N ZINC000833506669 605091776 /nfs/dbraw/zinc/09/17/76/605091776.db2.gz KLGHWTLDTUOGDF-UHFFFAOYSA-N -1 0 330.384 3.175 20 30 EGEDRM C[C@@H](CC#N)N(C)C(=O)Nc1sc2c(c1C(=O)[O-])CCCCC2 ZINC000833516071 605131686 /nfs/dbraw/zinc/13/16/86/605131686.db2.gz QTUMJQYQUKXGID-JTQLQIEISA-N -1 0 335.429 3.481 20 30 EGEDRM CN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000833696196 605137167 /nfs/dbraw/zinc/13/71/67/605137167.db2.gz GVLAIQLDEOKPRB-UHFFFAOYSA-N -1 0 327.315 3.059 20 30 EGEDRM C=CCOc1cccc(N[C@H](C(=O)OC)c2cccc(C(=O)[O-])c2)c1 ZINC000833379098 605193884 /nfs/dbraw/zinc/19/38/84/605193884.db2.gz ZQIRGWCTXHDLHI-KRWDZBQOSA-N -1 0 341.363 3.276 20 30 EGEDRM CC(C)CN(CCC#N)Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000833488990 605210947 /nfs/dbraw/zinc/21/09/47/605210947.db2.gz VUKXLTASZGZZDR-UHFFFAOYSA-N -1 0 327.384 3.411 20 30 EGEDRM CC1(C#N)CCN(Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)CC1 ZINC000833551536 605222212 /nfs/dbraw/zinc/22/22/12/605222212.db2.gz OFPDSPHQUBGMNM-UHFFFAOYSA-N -1 0 325.368 3.165 20 30 EGEDRM C[C@@H](Nc1ccc(NC(=O)[O-])c(F)c1)C(=O)Nc1cccc(C#N)c1 ZINC000833525151 605261666 /nfs/dbraw/zinc/26/16/66/605261666.db2.gz MYXUTSAANZFBDY-SNVBAGLBSA-N -1 0 342.330 3.226 20 30 EGEDRM C=CCCOCCCCC(=O)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC000833374751 605267187 /nfs/dbraw/zinc/26/71/87/605267187.db2.gz BFBHJWUJRLUSQC-UHFFFAOYSA-N -1 0 331.412 3.033 20 30 EGEDRM CCOc1ccc(C[C@H](CNc2nccc(C)c2C#N)C(=O)[O-])cc1 ZINC000833664220 605377692 /nfs/dbraw/zinc/37/76/92/605377692.db2.gz MEPSBJRLPYMLFB-OAHLLOKOSA-N -1 0 339.395 3.016 20 30 EGEDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)C=Cc1ccccc1C#N ZINC000042242375 1291437180 /nfs/dbraw/zinc/43/71/80/1291437180.db2.gz BIGUSTZPPVEKQC-ZHACJKMWSA-N -1 0 326.377 3.225 20 30 EGEDRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)c1ccc(C(C)(C)C)cc1 ZINC000042291138 1291439333 /nfs/dbraw/zinc/43/93/33/1291439333.db2.gz MHRKNPCTMYMRGX-UHFFFAOYSA-N -1 0 336.413 3.282 20 30 EGEDRM COc1cccc(CC(=O)[N-]S(=O)(=O)c2ccc(C)c(C)c2)c1 ZINC000046929807 1291557713 /nfs/dbraw/zinc/55/77/13/1291557713.db2.gz XLSXICZPKGOUOI-UHFFFAOYSA-N -1 0 333.409 3.200 20 30 EGEDRM O=C([N-]S(=O)(=O)c1ccc2ccccc2c1)c1cc(C2CC2)n[nH]1 ZINC000048408177 1291602924 /nfs/dbraw/zinc/60/29/24/1291602924.db2.gz VZSTXCDQGVDJIQ-UHFFFAOYSA-N -1 0 341.392 3.134 20 30 EGEDRM Cc1oc(-c2cccs2)nc1C(=O)[N-]S(=O)(=O)c1ccccc1 ZINC000048406732 1291603296 /nfs/dbraw/zinc/60/32/96/1291603296.db2.gz DDVAQCMRTCDNCV-UHFFFAOYSA-N -1 0 348.405 3.405 20 30 EGEDRM CCC(=O)Nc1cccc(C(=O)[N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000048422663 1291604778 /nfs/dbraw/zinc/60/47/78/1291604778.db2.gz HRTUNCSQVMHMOU-UHFFFAOYSA-N -1 0 346.408 3.037 20 30 EGEDRM Cc1ccc(Br)cc1S(=O)(=O)[N-]C(=O)[C@H]1C[C@@H]1C ZINC000048487551 1291606680 /nfs/dbraw/zinc/60/66/80/1291606680.db2.gz SQMHYGMFYVCERU-WPRPVWTQSA-N -1 0 332.219 3.059 20 30 EGEDRM CS(=O)(=O)[N-]C(=O)CCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000048480201 1291607129 /nfs/dbraw/zinc/60/71/29/1291607129.db2.gz QETVZTUQELHVKB-UHFFFAOYSA-N -1 0 331.393 3.233 20 30 EGEDRM Cc1cccc(C(=O)[N-]S(=O)(=O)C=Cc2ccccc2)c1[N+](=O)[O-] ZINC000048529808 1291609897 /nfs/dbraw/zinc/60/98/97/1291609897.db2.gz UVSHVBCKPJBDEA-ZHACJKMWSA-N -1 0 346.364 3.209 20 30 EGEDRM O=C([N-]S(=O)(=O)c1cccnc1)c1ccc(OC2CCCC2)cc1 ZINC000048532666 1291610502 /nfs/dbraw/zinc/61/05/02/1291610502.db2.gz PYJUVGGPIVYADK-UHFFFAOYSA-N -1 0 346.408 3.097 20 30 EGEDRM O=C(CCc1ccco1)[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000048615435 1291613899 /nfs/dbraw/zinc/61/38/99/1291613899.db2.gz UDKUSNRRFLSBLO-UHFFFAOYSA-N -1 0 333.409 3.436 20 30 EGEDRM CC(C)S(=O)(=O)[N-]C(=O)[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000050206856 1291641740 /nfs/dbraw/zinc/64/17/40/1291641740.db2.gz FGTZWKRWQOGRBH-NEPJUHHUSA-N -1 0 346.246 3.247 20 30 EGEDRM O=C(CCC1CCCC1)[N-]S(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000058113558 1291879349 /nfs/dbraw/zinc/87/93/49/1291879349.db2.gz BHJMUGKGOCAVCX-UHFFFAOYSA-N -1 0 347.440 3.488 20 30 EGEDRM O=C([O-])CCOc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000058984037 1291911312 /nfs/dbraw/zinc/91/13/12/1291911312.db2.gz GXQNQASAVFOWAO-RMKNXTFCSA-N -1 0 341.319 3.344 20 30 EGEDRM CC(C)(C)c1ncc(C(=O)[N-]S(=O)(=O)c2ccccc2F)s1 ZINC000063234963 1292002946 /nfs/dbraw/zinc/00/29/46/1292002946.db2.gz BRFWHZBQFLEFLW-UHFFFAOYSA-N -1 0 342.417 3.273 20 30 EGEDRM CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000069641930 1292246326 /nfs/dbraw/zinc/24/63/26/1292246326.db2.gz UYKLKDWOQURBNG-RXMQYKEDSA-N -1 0 332.230 3.125 20 30 EGEDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2ncccc2OCCCC#N)c1 ZINC000069677720 1292247477 /nfs/dbraw/zinc/24/74/77/1292247477.db2.gz IPUBXZTZJZYUEF-UHFFFAOYSA-N -1 0 345.424 3.182 20 30 EGEDRM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)[C@H]2COc3ccccc32)c1 ZINC000073086892 1292305587 /nfs/dbraw/zinc/30/55/87/1292305587.db2.gz CCMIUTCVTKGXJK-AWEZNQCLSA-N -1 0 331.393 3.125 20 30 EGEDRM CCCc1ncc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2)s1 ZINC000076755825 1292439792 /nfs/dbraw/zinc/43/97/92/1292439792.db2.gz FLLTUQOQENNDJC-UHFFFAOYSA-N -1 0 344.845 3.443 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)CCC(=O)c2cccs2)cc1 ZINC000077942086 1292490939 /nfs/dbraw/zinc/49/09/39/1292490939.db2.gz ZCWBSXHCBMPCMR-UHFFFAOYSA-N -1 0 337.422 3.365 20 30 EGEDRM O=C([N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)C1CC=CC1 ZINC000077943697 1292491397 /nfs/dbraw/zinc/49/13/97/1292491397.db2.gz QMQBDCVUZZGPLW-UHFFFAOYSA-N -1 0 337.294 3.456 20 30 EGEDRM O=C([N-]S(=O)(=O)Cc1ccccc1Cl)[C@H]1CC1(Cl)Cl ZINC000083791896 1292690491 /nfs/dbraw/zinc/69/04/91/1292690491.db2.gz TURJRVYZFXHXQA-MRVPVSSYSA-N -1 0 342.631 3.320 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@@H]2C[C@H]2CC(C)(C)C)n1 ZINC000830258672 1292694846 /nfs/dbraw/zinc/69/48/46/1292694846.db2.gz GHLMNOHQNMRZCZ-YNEHKIRRSA-N -1 0 334.441 3.243 20 30 EGEDRM O=C([N-]S(=O)(=O)C1CCCC1)c1ccc2ccc(Cl)cc2n1 ZINC000086054391 1292727076 /nfs/dbraw/zinc/72/70/76/1292727076.db2.gz LXLGTRRTNBRTDE-UHFFFAOYSA-N -1 0 338.816 3.465 20 30 EGEDRM CC(C)C[C@H](C)OCCC(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000088800149 1292756248 /nfs/dbraw/zinc/75/62/48/1292756248.db2.gz BDJVJEBTRWGVKP-ZDUSSCGKSA-N -1 0 338.429 3.045 20 30 EGEDRM O=C([N-]S(=O)(=O)CCCF)C1(c2ccc(F)cc2F)CCCC1 ZINC000089979640 1292782536 /nfs/dbraw/zinc/78/25/36/1292782536.db2.gz KMTDFHOOLBYVTQ-UHFFFAOYSA-N -1 0 349.374 3.423 20 30 EGEDRM O=C(C=Cc1ccccc1)[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000091125541 1292820679 /nfs/dbraw/zinc/82/06/79/1292820679.db2.gz LAXZQWBVDUGNEB-DHZHZOJOSA-N -1 0 343.404 3.370 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)C(=O)NC2CC2)sc1-c1ccc(F)cc1 ZINC000102595884 1292978554 /nfs/dbraw/zinc/97/85/54/1292978554.db2.gz LSPYCKNEUWZYSF-CQSZACIVSA-N -1 0 342.395 3.464 20 30 EGEDRM C#CCCN(CC(F)(F)F)C(=O)c1ccc2oc(=S)[n-]c2c1 ZINC000832275749 1292980652 /nfs/dbraw/zinc/98/06/52/1292980652.db2.gz BVZHWHXMFXVNBB-UHFFFAOYSA-N -1 0 328.315 3.144 20 30 EGEDRM C=C(C)COc1cccc(NC(=O)c2n[n-]c3ccccc3c2=O)c1 ZINC000111598254 1293108737 /nfs/dbraw/zinc/10/87/37/1293108737.db2.gz HVVSWTNHVNWTCR-UHFFFAOYSA-N -1 0 335.363 3.130 20 30 EGEDRM C[C@H](/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-])C(=O)Nc1ccccc1 ZINC000111998029 1293115102 /nfs/dbraw/zinc/11/51/02/1293115102.db2.gz OFXODCKWLWQPDA-NTOSSWPYSA-N -1 0 347.758 3.400 20 30 EGEDRM CC[C@H](C)CC=Nn1c(SCC(=O)[O-])nnc1-c1ccoc1C ZINC000834936034 1293178025 /nfs/dbraw/zinc/17/80/25/1293178025.db2.gz OZCIBHDBZKAXSO-JTQLQIEISA-N -1 0 336.417 3.293 20 30 EGEDRM CC(CCc1ccc(O[C@@H](C)C(=O)[O-])cc1)N=N[C@H](C)C(F)(F)F ZINC000834999850 1293184734 /nfs/dbraw/zinc/18/47/34/1293184734.db2.gz YODOXXFNIDXKSC-NWDGAFQWSA-N -1 0 346.349 3.387 20 30 EGEDRM CC(CCc1ccc(O[C@H](C)C(=O)[O-])cc1)=NN[C@H]1CCOC1(C)C ZINC000835020642 1293189668 /nfs/dbraw/zinc/18/96/68/1293189668.db2.gz JEVOTIXSMAGYAL-PBHICJAKSA-N -1 0 348.443 3.004 20 30 EGEDRM CCCN(C)c1ccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)cc1 ZINC000118912369 1293248000 /nfs/dbraw/zinc/24/80/00/1293248000.db2.gz CVMCUEXUQWTVCQ-SFHVURJKSA-N -1 0 341.455 3.304 20 30 EGEDRM CCC[C@H]1CCC[C@H]1C(=O)[N-]S(=O)(=O)CC1(C#N)CCCCC1 ZINC000835302389 1293257625 /nfs/dbraw/zinc/25/76/25/1293257625.db2.gz JQFGYCVYTSUGFK-LSDHHAIUSA-N -1 0 340.489 3.123 20 30 EGEDRM Cc1sc(-c2ccco2)nc1C([O-])=C(C#N)C(=O)NC1CCCC1 ZINC000119869534 1293291875 /nfs/dbraw/zinc/29/18/75/1293291875.db2.gz KGBRQWFYBJZCML-GFCCVEGCSA-N -1 0 343.408 3.093 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@@H]2c2ccccc2)CC1 ZINC000835449631 1293293566 /nfs/dbraw/zinc/29/35/66/1293293566.db2.gz QFHXJPQSILTXQK-HZPDHXFCSA-N -1 0 333.453 3.125 20 30 EGEDRM C=CCC(CC=C)C(=O)[N-]S(=O)(=O)[C@H]1CCCc2ccccc21 ZINC000835591083 1293323674 /nfs/dbraw/zinc/32/36/74/1293323674.db2.gz QLMXZHKMXIIFPB-KRWDZBQOSA-N -1 0 333.453 3.278 20 30 EGEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000122497546 1293414590 /nfs/dbraw/zinc/41/45/90/1293414590.db2.gz RIYXTDFAYLAMOR-FGTMMUONSA-N -1 0 343.386 3.269 20 30 EGEDRM Cn1ncc(Cl)c1/C=C/C(=O)c1ccc(OCCCC(=O)[O-])cc1 ZINC000122620539 1293419989 /nfs/dbraw/zinc/41/99/89/1293419989.db2.gz BKXALWIPWXPOKZ-CMDGGOBGSA-N -1 0 348.786 3.213 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(C#N)c(Cl)c1 ZINC000123807384 1293456559 /nfs/dbraw/zinc/45/65/59/1293456559.db2.gz HMMOHHYQVNETCS-AWEZNQCLSA-N -1 0 331.803 3.231 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)C(=O)N2CCCC2)c(C)n1-c1cccc(C)c1 ZINC000124448975 1293475901 /nfs/dbraw/zinc/47/59/01/1293475901.db2.gz SDUIIJKGADJSJW-IBGZPJMESA-N -1 0 349.434 3.347 20 30 EGEDRM CC(C)NC(=O)C(C#N)=C([O-])c1cncc(-c2ccc(Cl)cc2)c1 ZINC000124568542 1293478724 /nfs/dbraw/zinc/47/87/24/1293478724.db2.gz LLYKWHONPMEPHC-INIZCTEOSA-N -1 0 341.798 3.249 20 30 EGEDRM COC(=O)[C@@H](C)Oc1ccc(/C=C/C(=O)c2ccccc2[O-])cc1 ZINC000125618531 1293512534 /nfs/dbraw/zinc/51/25/34/1293512534.db2.gz VRPWQNIRGFHDBE-CNELAYHGSA-N -1 0 326.348 3.229 20 30 EGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1c(Cl)nc2ccccn21 ZINC000125678464 1293514595 /nfs/dbraw/zinc/51/45/95/1293514595.db2.gz MAHACPVQWGZFIH-GFCCVEGCSA-N -1 0 346.818 3.007 20 30 EGEDRM N#CC(C(=O)NC1CC1)=C([O-])c1ccc(-c2ccccc2Cl)o1 ZINC000129232694 1293618680 /nfs/dbraw/zinc/61/86/80/1293618680.db2.gz DRXCAYSXRKGREG-GFCCVEGCSA-N -1 0 328.755 3.201 20 30 EGEDRM CC(C)NC(=O)C(C#N)=C([O-])c1cc2cc(Br)ccc2o1 ZINC000130952391 1293673821 /nfs/dbraw/zinc/67/38/21/1293673821.db2.gz YVZYPLPXIBRSMV-LLVKDONJSA-N -1 0 349.184 3.042 20 30 EGEDRM CC(C)NC(=O)C(C#N)=C([O-])c1cccc(OCc2cccs2)c1 ZINC000131004465 1293676411 /nfs/dbraw/zinc/67/64/11/1293676411.db2.gz IDHHVHGZNZSUHN-INIZCTEOSA-N -1 0 342.420 3.174 20 30 EGEDRM C=C[C@H](CC(=O)[N-]S(=O)(=O)Cc1ccc(F)cc1)c1ccccc1 ZINC000136083169 1293808535 /nfs/dbraw/zinc/80/85/35/1293808535.db2.gz DZVMWELURONJQO-OAHLLOKOSA-N -1 0 347.411 3.132 20 30 EGEDRM C=CCC(CC=C)C(=O)[N-]S(=O)(=O)Cc1ccccc1Cl ZINC000151706383 1293935367 /nfs/dbraw/zinc/93/53/67/1293935367.db2.gz ZFUOAIBEPPBXKX-UHFFFAOYSA-N -1 0 327.833 3.054 20 30 EGEDRM CCN(C(C)=O)c1nc(/C=C/C(=O)c2cc(F)ccc2[O-])cs1 ZINC000156674458 1294154220 /nfs/dbraw/zinc/15/42/20/1294154220.db2.gz PWJMSHDSYBAUBN-FNORWQNLSA-N -1 0 334.372 3.257 20 30 EGEDRM CCN(C(C)=O)c1nc(/C=C/C(=O)c2ccc(F)cc2[O-])cs1 ZINC000156720330 1294157263 /nfs/dbraw/zinc/15/72/63/1294157263.db2.gz DXTKIPCWJVKKJU-FNORWQNLSA-N -1 0 334.372 3.257 20 30 EGEDRM N#CC(=C([O-])c1cnn(-c2ccc(F)cc2)n1)c1nc2ccccc2o1 ZINC000172661622 1294441085 /nfs/dbraw/zinc/44/10/85/1294441085.db2.gz HPQZBXCWZYZMNJ-ZDUSSCGKSA-N -1 0 347.309 3.038 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)[C@H]2COc3ccc(Cl)cc3C2)c1 ZINC000176396473 1294604451 /nfs/dbraw/zinc/60/44/51/1294604451.db2.gz QLDKLKYMZKJOQR-GFCCVEGCSA-N -1 0 328.755 3.107 20 30 EGEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc(-c2ccccc2)s1 ZINC000178475444 1294737225 /nfs/dbraw/zinc/73/72/25/1294737225.db2.gz PEDWZXJRERRNJT-CYBMUJFWSA-N -1 0 335.388 3.354 20 30 EGEDRM O=C([O-])CCOc1ccc(/C=C/C(=O)c2ccc(Cl)nc2)cc1 ZINC000179413419 1294793205 /nfs/dbraw/zinc/79/32/05/1294793205.db2.gz JHUGHAVKBSPNCH-XVNBXDOJSA-N -1 0 331.755 3.485 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccnc(Cl)c2)cc1Cl ZINC000180245325 1294873782 /nfs/dbraw/zinc/87/37/82/1294873782.db2.gz ZCMRGJZMMQYLTP-UHFFFAOYSA-N -1 0 328.180 3.061 20 30 EGEDRM CC(C)c1ccc([C@H](C)CC(=O)[N-]S(=O)(=O)CCCC#N)cc1 ZINC000181258278 1294950414 /nfs/dbraw/zinc/95/04/14/1294950414.db2.gz IEIWHZMBFCXMMI-CQSZACIVSA-N -1 0 336.457 3.053 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)c1cn(Cc2ccccc2)c2ccccc12 ZINC000191251032 1295661447 /nfs/dbraw/zinc/66/14/47/1295661447.db2.gz YMYDFZJDNBPMPO-UHFFFAOYSA-N -1 0 348.402 3.402 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)Cc1csc(-c2ccc(CC)cc2)n1 ZINC000191249123 1295662131 /nfs/dbraw/zinc/66/21/31/1295662131.db2.gz VPHYWRBRLUHRMF-UHFFFAOYSA-N -1 0 344.436 3.014 20 30 EGEDRM Cc1cc(C)c(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)s1 ZINC000870307970 1295804014 /nfs/dbraw/zinc/80/40/14/1295804014.db2.gz CPKIMSRQCBDZKN-OAHLLOKOSA-N -1 0 326.421 3.312 20 30 EGEDRM O=C1c2cc(F)ccc2OCC/C1=C/c1ccc([N+](=O)[O-])c([O-])c1 ZINC000194661308 1295999327 /nfs/dbraw/zinc/99/93/27/1295999327.db2.gz MRURDOTZFDWREO-XFFZJAGNSA-N -1 0 329.283 3.488 20 30 EGEDRM Cc1cc(C)n(CCC/N=C\c2cc(Br)ccc2O)n1 ZINC000255365609 1296523369 /nfs/dbraw/zinc/52/33/69/1296523369.db2.gz WVYGOKUHPGHYAM-YVLHZVERSA-N -1 0 336.233 3.477 20 30 EGEDRM Cn1c(=O)oc2ccc(N=Cc3cc(Br)ccc3O)cc21 ZINC000255831390 1296569660 /nfs/dbraw/zinc/56/96/60/1296569660.db2.gz PTGUXAXEBPPOPU-UHFFFAOYSA-N -1 0 347.168 3.350 20 30 EGEDRM C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@H](C)CC(=O)[O-] ZINC000262267608 1296624710 /nfs/dbraw/zinc/62/47/10/1296624710.db2.gz VQLDVUCDDMPYAG-SNVBAGLBSA-N -1 0 345.317 3.111 20 30 EGEDRM C=CCC[C@H](NC(=O)CCc1ncc(-c2ccc(C)cc2)o1)C(=O)[O-] ZINC000263043975 1296658796 /nfs/dbraw/zinc/65/87/96/1296658796.db2.gz ZWXSJZMKOPSKFD-HNNXBMFYSA-N -1 0 342.395 3.118 20 30 EGEDRM Cc1occc1-c1nnc(SCC(=O)[O-])n1N=CCCCC1CC1 ZINC000872338700 1296918849 /nfs/dbraw/zinc/91/88/49/1296918849.db2.gz VBBSVMYJLMHORX-UHFFFAOYSA-N -1 0 348.428 3.437 20 30 EGEDRM CC(C)(C)OC(=O)N=c1[nH]c(C=NNc2ncccc2F)cs1 ZINC000872372873 1296929847 /nfs/dbraw/zinc/92/98/47/1296929847.db2.gz QLDJCRZZUIUPPS-UHFFFAOYSA-N -1 0 337.380 3.470 20 30 EGEDRM CCCN1c2ccc(C)cc2C(=N[N-]c2ncc(Cl)cn2)C1=O ZINC000872390576 1296933417 /nfs/dbraw/zinc/93/34/17/1296933417.db2.gz HLEYEPRKSVTMOB-UHFFFAOYSA-N -1 0 329.791 3.011 20 30 EGEDRM CC1=CC(=O)C(=C([O-])C=Cc2ccc(SC(F)F)cc2)C(=O)O1 ZINC000588419645 1298063293 /nfs/dbraw/zinc/06/32/93/1298063293.db2.gz ANLPWLYALPWXRA-ZBKLQPJUSA-N -1 0 338.331 3.230 20 30 EGEDRM CCN(C)c1ccc(/C=C\C(=O)c2ccc([O-])c([N+](=O)[O-])c2)cn1 ZINC000588579840 1298086818 /nfs/dbraw/zinc/08/68/18/1298086818.db2.gz NYKFPUVQFCUCAI-DAXSKMNVSA-N -1 0 327.340 3.048 20 30 EGEDRM O=c1c2ccccc2[n-]c(=S)n1N=Cc1ccc(OC(F)F)cc1 ZINC000725860193 1298378039 /nfs/dbraw/zinc/37/80/39/1298378039.db2.gz YNADXKBHGJWYOQ-UHFFFAOYSA-N -1 0 347.346 3.169 20 30 EGEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1cc(-c2ccccc2)ns1 ZINC000747210916 1298742084 /nfs/dbraw/zinc/74/20/84/1298742084.db2.gz RRKQBILDFVOTJU-CQSZACIVSA-N -1 0 339.420 3.191 20 30 EGEDRM Cc1sc2ncnc(N=NCc3ccc([N+](=O)[O-])c([O-])c3)c2c1C ZINC000748132496 1298933737 /nfs/dbraw/zinc/93/37/37/1298933737.db2.gz UQDVAXUPRZSLLX-UHFFFAOYSA-N -1 0 343.368 3.368 20 30 EGEDRM O=C(/C=C/c1ccc([N+](=O)[O-])c([O-])c1)c1ccc(-n2cccn2)cc1 ZINC000748146275 1298936923 /nfs/dbraw/zinc/93/69/23/1298936923.db2.gz HJZFPQBVTTYINT-YCRREMRBSA-N -1 0 335.319 3.382 20 30 EGEDRM Cc1c(C([O-])=C(C#N)C(=O)NCc2ccccc2)cnc2ccccc12 ZINC000749027055 1299129178 /nfs/dbraw/zinc/12/91/78/1299129178.db2.gz TZFJRRPLOXZUDI-KRWDZBQOSA-N -1 0 343.386 3.182 20 30 EGEDRM CC(=NNCCCOc1ccccc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000749608478 1299246356 /nfs/dbraw/zinc/24/63/56/1299246356.db2.gz NNHAGMLIZXEEHG-UHFFFAOYSA-N -1 0 329.356 3.083 20 30 EGEDRM CC(=NNCc1cnc2ccccc2c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000749626310 1299249425 /nfs/dbraw/zinc/24/94/25/1299249425.db2.gz PLHVMEDFOYILAQ-UHFFFAOYSA-N -1 0 336.351 3.362 20 30 EGEDRM Cc1c(C(=O)/C=C/c2cc(F)c([O-])c(F)c2)c(C#N)c2n1CCC2 ZINC000749892224 1299293181 /nfs/dbraw/zinc/29/31/81/1299293181.db2.gz UAJXRWZRLLJHLB-SNAWJCMRSA-N -1 0 328.318 3.494 20 30 EGEDRM CC(C)c1cccc(C(C)C)c1NC(=O)N[C@H]1CCCN(O)C1=O ZINC000877912937 1299636388 /nfs/dbraw/zinc/63/63/88/1299636388.db2.gz JONKZFWQSJHFQU-HNNXBMFYSA-N -1 0 333.432 3.435 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1N=NCc1ccc(O[C@@H](C)C#N)cc1 ZINC000756899353 1300585471 /nfs/dbraw/zinc/58/54/71/1300585471.db2.gz XPAPEUFPACOGEM-LBPRGKRZSA-N -1 0 339.351 3.130 20 30 EGEDRM CC(C)NC(=O)C(C#N)=C([O-])c1cccc(-c2c(F)cccc2F)c1 ZINC000757408746 1300670596 /nfs/dbraw/zinc/67/05/96/1300670596.db2.gz JEOUVJUIHZSONH-CQSZACIVSA-N -1 0 342.345 3.479 20 30 EGEDRM CC(N=Nc1nc(C(F)(F)F)cs1)c1cc(C(=O)[O-])ccc1O ZINC000757465352 1300671463 /nfs/dbraw/zinc/67/14/63/1300671463.db2.gz MSFIRWJONNIKBC-UHFFFAOYSA-N -1 0 345.302 3.402 20 30 EGEDRM O=C(/C=C\c1cc(Cl)c2c(c1)OCCO2)c1ccc(O)cc1[O-] ZINC000757472137 1300675675 /nfs/dbraw/zinc/67/56/75/1300675675.db2.gz LNRLTXTVGKWCSJ-RJRFIUFISA-N -1 0 332.739 3.419 20 30 EGEDRM CC(=NN=c1nc[nH]c2sccc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000758099006 1300785117 /nfs/dbraw/zinc/78/51/17/1300785117.db2.gz HBYNVHTYUMOFNA-UHFFFAOYSA-N -1 0 329.341 3.141 20 30 EGEDRM COc1cc2c(cc1C=NNc1ccc(Cl)c(C(=O)[O-])c1)OCO2 ZINC000758869021 1300969490 /nfs/dbraw/zinc/96/94/90/1300969490.db2.gz POAVVXLLRMTKNN-UHFFFAOYSA-N -1 0 348.742 3.222 20 30 EGEDRM O=C(/C=C/c1ccc(-n2cccn2)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000759089026 1301011883 /nfs/dbraw/zinc/01/18/83/1301011883.db2.gz DWRZZLFZSHCXBM-XBXARRHUSA-N -1 0 335.319 3.382 20 30 EGEDRM Cn1c(Cl)nc(Cl)c1/C=C/C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000759090261 1301012899 /nfs/dbraw/zinc/01/28/99/1301012899.db2.gz JYUNEGMTYOGOSC-HWKANZROSA-N -1 0 342.138 3.237 20 30 EGEDRM COc1cc(F)cc(NN=Cc2cccc(OCCC(=O)[O-])c2)c1 ZINC000759212226 1301043985 /nfs/dbraw/zinc/04/39/85/1301043985.db2.gz BHKIVUSJPZWKMR-UHFFFAOYSA-N -1 0 332.331 3.134 20 30 EGEDRM C[C@H](c1ccccc1)n1ccc([N-]c2ncc([N+](=O)[O-])cc2C#N)n1 ZINC000759718132 1301148210 /nfs/dbraw/zinc/14/82/10/1301148210.db2.gz RPVAKHCXAHSJSP-GFCCVEGCSA-N -1 0 334.339 3.411 20 30 EGEDRM CCCCCCCC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1ccnn1C ZINC000765653243 1302298144 /nfs/dbraw/zinc/29/81/44/1302298144.db2.gz YZYDGVQMYWQEPZ-CQSZACIVSA-N -1 0 343.493 3.002 20 30 EGEDRM C#Cc1cccc([N-]S(=O)(=O)c2c(Cl)ccnc2Cl)c1 ZINC000766895330 1302541031 /nfs/dbraw/zinc/54/10/31/1302541031.db2.gz FCOWCORCHRPVMG-UHFFFAOYSA-N -1 0 327.192 3.171 20 30 EGEDRM Cn1cc(/C=C/C(=O)c2cc([N+](=O)[O-])ccc2[O-])c(C(C)(C)C)n1 ZINC000769613756 1303147511 /nfs/dbraw/zinc/14/75/11/1303147511.db2.gz CIGROAMRZXBJHQ-FNORWQNLSA-N -1 0 329.356 3.228 20 30 EGEDRM CC[C@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1 ZINC000771079367 1303357297 /nfs/dbraw/zinc/35/72/97/1303357297.db2.gz SDZZMCUABAOQHQ-OAHLLOKOSA-N -1 0 340.489 3.123 20 30 EGEDRM C[C@H](Oc1cccc(C(=O)/C=C/c2ccc(C#N)cc2F)c1)C(=O)[O-] ZINC000772805440 1303579551 /nfs/dbraw/zinc/57/95/51/1303579551.db2.gz HBSVQUQKLTUNNH-GUOLPTJISA-N -1 0 339.322 3.445 20 30 EGEDRM C[C@@H](Oc1cccc(/C=C2\Oc3cc(F)ccc3C2=O)c1)C(=O)[O-] ZINC000773169450 1303636254 /nfs/dbraw/zinc/63/62/54/1303636254.db2.gz CWUKLRCNRABQNV-NUEDXCKTSA-N -1 0 328.295 3.294 20 30 EGEDRM COc1cc(/C=C2/Oc3cc(F)ccc3C2=O)cc([N+](=O)[O-])c1[O-] ZINC000773172799 1303637257 /nfs/dbraw/zinc/63/72/57/1303637257.db2.gz OYEJLERTHUWSFL-MKMNVTDBSA-N -1 0 331.255 3.064 20 30 EGEDRM CC(C)Cn1ccc2c1cccc2C([O-])=C(C#N)C(=O)N1CCCC1 ZINC000774042672 1303766951 /nfs/dbraw/zinc/76/69/51/1303766951.db2.gz HQZBMBSZSALHGH-KRWDZBQOSA-N -1 0 337.423 3.242 20 30 EGEDRM CCO[C@H]1CC(N=Nc2ccccc2C(=O)[O-])[C@H]1Oc1ccccc1 ZINC000774349921 1303801394 /nfs/dbraw/zinc/80/13/94/1303801394.db2.gz MWLDLEHGKXIRFL-ZWKOTPCHSA-N -1 0 340.379 3.409 20 30 EGEDRM C=CCCC(=O)[N-]S(=O)(=O)c1ccc(OCc2ccccc2)cc1 ZINC000775121937 1303912779 /nfs/dbraw/zinc/91/27/79/1303912779.db2.gz MVGMFTMODVVFMU-UHFFFAOYSA-N -1 0 345.420 3.037 20 30 EGEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N/CCc2ccc(CO)cc2)c1[O-] ZINC000775629413 1303997957 /nfs/dbraw/zinc/99/79/57/1303997957.db2.gz HECNOLAXPVUHMT-GIJQJNRQSA-N -1 0 334.759 3.108 20 30 EGEDRM COCCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(Cl)c1[O-] ZINC000775656613 1304006928 /nfs/dbraw/zinc/00/69/28/1304006928.db2.gz LDOYKABBFUUTFD-UHFFFAOYSA-N -1 0 344.798 3.206 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)cc(Cl)n1 ZINC000778650543 1304476944 /nfs/dbraw/zinc/47/69/44/1304476944.db2.gz ITFBJPMLGJMUHH-LLVKDONJSA-N -1 0 325.759 3.113 20 30 EGEDRM O=C([O-])C(F)(F)Oc1ccc(/C=C2\Cc3cc(O)ccc3C2=O)cc1 ZINC000780187265 1304650660 /nfs/dbraw/zinc/65/06/60/1304650660.db2.gz FHLVNFNCFQERTH-KPKJPENVSA-N -1 0 346.285 3.271 20 30 EGEDRM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1cnc(C2CC2)o1 ZINC000892493354 1305403914 /nfs/dbraw/zinc/40/39/14/1305403914.db2.gz HWCLFUKXBQOFQN-GFCCVEGCSA-N -1 0 329.743 3.167 20 30 EGEDRM COC(=O)CCc1cccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000786027760 1305491808 /nfs/dbraw/zinc/49/18/08/1305491808.db2.gz QLPCYRQOYZBHGT-UHFFFAOYSA-N -1 0 328.324 3.157 20 30 EGEDRM Cc1cccc(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)c1 ZINC000786535487 1305591144 /nfs/dbraw/zinc/59/11/44/1305591144.db2.gz RLSWUVIPLRNRJL-INIZCTEOSA-N -1 0 326.783 3.287 20 30 EGEDRM Cc1cc(C)cc(C([O-])=C(C#N)C(=O)NCc2ccc(F)c(F)c2)c1 ZINC000786573020 1305602507 /nfs/dbraw/zinc/60/25/07/1305602507.db2.gz UBDRJKDNXPSLMO-HNNXBMFYSA-N -1 0 342.345 3.221 20 30 EGEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1scnc1Cl)c1ccccc1 ZINC000787046827 1305683200 /nfs/dbraw/zinc/68/32/00/1305683200.db2.gz SEEGYIJOCVSMIX-VXGBXAGGSA-N -1 0 347.827 3.386 20 30 EGEDRM C[C@@H]1CCc2[nH]nc(C([O-])=C(C#N)c3cc(C(F)(F)F)ccn3)c2C1 ZINC000893061338 1305685899 /nfs/dbraw/zinc/68/58/99/1305685899.db2.gz KXQOLMSFRQYPBO-BXKDBHETSA-N -1 0 348.328 3.438 20 30 EGEDRM C=C1CCC(C(=O)[N-]S(=O)(=O)Cc2cc(F)ccc2Cl)CC1 ZINC000893166732 1305741277 /nfs/dbraw/zinc/74/12/77/1305741277.db2.gz HGXVERGMHDDSSH-UHFFFAOYSA-N -1 0 345.823 3.172 20 30 EGEDRM CC(N=Nc1nnc(-c2ccccn2)s1)c1cccc(C(=O)[O-])c1 ZINC000788026745 1305847908 /nfs/dbraw/zinc/84/79/08/1305847908.db2.gz JEPBUXBQMGCKGK-UHFFFAOYSA-N -1 0 339.380 3.134 20 30 EGEDRM CC(=NOC[C@@H]1CCOC1)c1cc(Br)cc(F)c1[O-] ZINC000788030536 1305848999 /nfs/dbraw/zinc/84/89/99/1305848999.db2.gz OQRJOTQCDFFBJE-SECBINFHSA-N -1 0 332.169 3.071 20 30 EGEDRM CC(=NOC[C@H]1CCOC1)c1cc(Br)cc(F)c1[O-] ZINC000788030539 1305849276 /nfs/dbraw/zinc/84/92/76/1305849276.db2.gz OQRJOTQCDFFBJE-VIFPVBQESA-N -1 0 332.169 3.071 20 30 EGEDRM N#Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1cccc2c1CCCC2 ZINC000788205963 1305894620 /nfs/dbraw/zinc/89/46/20/1305894620.db2.gz RPWQRLKMTRNFML-UHFFFAOYSA-N -1 0 347.827 3.286 20 30 EGEDRM CCc1cncc(C([O-])=C(C#N)C(=O)N[C@@H](CC)c2ccccc2)c1 ZINC000789491574 1306169679 /nfs/dbraw/zinc/16/96/79/1306169679.db2.gz JWJNTSWIDLUTOH-ROUUACIJSA-N -1 0 335.407 3.234 20 30 EGEDRM Cc1nn(C)c(C=CC(=O)c2sccc2[O-])c1Br ZINC000790610106 1306361929 /nfs/dbraw/zinc/36/19/29/1306361929.db2.gz RMNOQEANWPWSHJ-ARJAWSKDSA-N -1 0 327.203 3.154 20 30 EGEDRM CC[C@H](NN=Cc1ccc(OCc2cccc(F)c2)cc1)C(=O)[O-] ZINC000793077859 1309291889 /nfs/dbraw/zinc/29/18/89/1309291889.db2.gz IVQJULQWBKIQTC-KRWDZBQOSA-N -1 0 330.359 3.191 20 30 EGEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1ccc2c(c1)CCC=C2 ZINC000793126182 1309300426 /nfs/dbraw/zinc/30/04/26/1309300426.db2.gz SCIJEHQOMQLWHK-LJQANCHMSA-N -1 0 330.387 3.285 20 30 EGEDRM Cn1ncc(C([O-])=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)n1 ZINC000793126527 1309300779 /nfs/dbraw/zinc/30/07/79/1309300779.db2.gz SWDNZZVKXJJESF-LLVKDONJSA-N -1 0 343.799 3.082 20 30 EGEDRM C[C@@H](Oc1cccc(/C=C2/COc3cc(F)ccc3C2=O)c1)C(=O)[O-] ZINC000794728291 1309585322 /nfs/dbraw/zinc/58/53/22/1309585322.db2.gz OCNRBEZRJSGQMI-NUBYWOLOSA-N -1 0 342.322 3.336 20 30 EGEDRM CC(C)(CC(=O)[N-]S(=O)(=O)CC1(C#N)CCC1)C1CCCCC1 ZINC000796848323 1310099816 /nfs/dbraw/zinc/09/98/16/1310099816.db2.gz CKIKVZZDKRVQKW-UHFFFAOYSA-N -1 0 340.489 3.123 20 30 EGEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1ccc(Cl)c2ncccc12 ZINC000802045130 1316975487 /nfs/dbraw/zinc/97/54/87/1316975487.db2.gz FWMAJINGUQPIOL-CQSZACIVSA-N -1 0 341.798 3.269 20 30 EGEDRM C[C@H](Oc1ccc(/C=C/C(=O)c2ccnn2C2CCC2)cc1)C(=O)[O-] ZINC000899397830 1317018708 /nfs/dbraw/zinc/01/87/08/1317018708.db2.gz VTSJBJFWTXIPDL-RSPDNQDQSA-N -1 0 340.379 3.356 20 30 EGEDRM C=C[C@H](CC(=O)[N-]S(=O)(=O)c1sccc1C)c1ccccc1 ZINC000802866728 1317050654 /nfs/dbraw/zinc/05/06/54/1317050654.db2.gz PHZBCUUSDPERSF-CYBMUJFWSA-N -1 0 335.450 3.221 20 30 EGEDRM Cc1ccc2nc(/C=C3/C[C@@H](C(=O)[O-])c4ccccc4C3=O)cn2c1 ZINC000806561403 1317501666 /nfs/dbraw/zinc/50/16/66/1317501666.db2.gz VAXPFHODXPJHKD-KMGMULKOSA-N -1 0 332.359 3.481 20 30 EGEDRM Cc1nn(C)c2ncc(/C=C3\C[C@@H](C(=O)[O-])c4ccccc4C3=O)cc12 ZINC000806562356 1317501801 /nfs/dbraw/zinc/50/18/01/1317501801.db2.gz JLOLMKFIHNWRMF-SDSFWRRZSA-N -1 0 347.374 3.115 20 30 EGEDRM N#Cc1cc([N+](=O)[O-])cnc1NCc1cc(Cl)cc(Cl)c1[O-] ZINC000808088795 1317622080 /nfs/dbraw/zinc/62/20/80/1317622080.db2.gz BVPJJYMVEUAYLC-UHFFFAOYSA-N -1 0 339.138 3.486 20 30 EGEDRM Cc1ccc(C#N)cc1S(=O)(=O)Nc1cc(Cl)c([O-])cc1F ZINC000808113946 1317625528 /nfs/dbraw/zinc/62/55/28/1317625528.db2.gz NNLHKIOYDUEJOV-UHFFFAOYSA-N -1 0 340.763 3.166 20 30 EGEDRM COCc1ccc(S(=O)(=O)[N-]c2sc(C)c(C)c2C#N)cc1 ZINC000903168711 1317667948 /nfs/dbraw/zinc/66/79/48/1317667948.db2.gz NSRCFSDTDZQKSA-UHFFFAOYSA-N -1 0 336.438 3.184 20 30 EGEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1cc2cccc(C)c2s1 ZINC000808978100 1317756007 /nfs/dbraw/zinc/75/60/07/1317756007.db2.gz GIXXCXRILUIYJD-AWEZNQCLSA-N -1 0 344.436 3.075 20 30 EGEDRM C=CC[C@H](C(=O)[N-]S(=O)(=O)Cc1ccc(C)cc1)c1ccccc1 ZINC000809063053 1317764835 /nfs/dbraw/zinc/76/48/35/1317764835.db2.gz HMUWMFTTWDYMOQ-SFHVURJKSA-N -1 0 343.448 3.301 20 30 EGEDRM COc1cc(C)c(C(=O)/C=C/c2ccc(O)c(C(=O)[O-])c2)cc1OC ZINC000809153662 1317775813 /nfs/dbraw/zinc/77/58/13/1317775813.db2.gz BBAAOIBDWCOLCX-GQCTYLIASA-N -1 0 342.347 3.312 20 30 EGEDRM COc1cc(C)cc2c1OC/C(=C\c1ccc(O)c(C(=O)[O-])c1)C2=O ZINC000809153842 1317776078 /nfs/dbraw/zinc/77/60/78/1317776078.db2.gz GSYZKZXVERGBFT-KPKJPENVSA-N -1 0 340.331 3.066 20 30 EGEDRM N#CC(=C([O-])c1nnc2ccccc2n1)c1ccc2ccccc2n1 ZINC000810520195 1318015927 /nfs/dbraw/zinc/01/59/27/1318015927.db2.gz BRSLOMMBLPOBSS-ZDUSSCGKSA-N -1 0 325.331 3.063 20 30 EGEDRM CCc1c(C)sc([N-]S(=O)(=O)c2cccc(CC#N)c2)c1C#N ZINC000906071645 1318033818 /nfs/dbraw/zinc/03/38/18/1318033818.db2.gz DDRAKCNNYRMTIR-UHFFFAOYSA-N -1 0 345.449 3.357 20 30 EGEDRM COCc1ccc(S(=O)(=O)[N-]c2sc3c(c2C#N)CCC3)cc1 ZINC000906072924 1318033944 /nfs/dbraw/zinc/03/39/44/1318033944.db2.gz MEFSBBBYFOSMBL-UHFFFAOYSA-N -1 0 348.449 3.056 20 30 EGEDRM CCc1c(C([O-])=C(C#N)C(=O)N[C@H](CC)c2ccccc2)ccn1C ZINC000810710912 1318046973 /nfs/dbraw/zinc/04/69/73/1318046973.db2.gz WUZNIVQYHOPYHG-DLBZAZTESA-N -1 0 337.423 3.177 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H](C)c2ccc(Cl)s2)CC1 ZINC000810984320 1318087157 /nfs/dbraw/zinc/08/71/57/1318087157.db2.gz ZMCZCSAZWYCEJU-VIFPVBQESA-N -1 0 333.862 3.060 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2cc3c(s2)CC[C@H](C)C3)CC1 ZINC000810984530 1318087202 /nfs/dbraw/zinc/08/72/02/1318087202.db2.gz DWPKOJYGRIROGB-NSHDSACASA-N -1 0 339.482 3.041 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)C[C@H](C)c2ccc(CC)cc2)CC1 ZINC000810987677 1318087554 /nfs/dbraw/zinc/08/75/54/1318087554.db2.gz VJXLTWVIHYYUNR-AWEZNQCLSA-N -1 0 335.469 3.297 20 30 EGEDRM C[C@H](Oc1cccc(/C=C2/Cc3ccc(C#N)cc3C2=O)c1)C(=O)[O-] ZINC000811696192 1318229681 /nfs/dbraw/zinc/22/96/81/1318229681.db2.gz RKCYWKOTIXHJAR-VQZCYCSMSA-N -1 0 333.343 3.233 20 30 EGEDRM C#CC[C@H](NC(=O)Nc1ccc2nc(C(C)C)sc2c1)C(=O)[O-] ZINC000908618107 1318374276 /nfs/dbraw/zinc/37/42/76/1318374276.db2.gz KASCWSBOALNTRM-LBPRGKRZSA-N -1 0 331.397 3.018 20 30 EGEDRM C=CCCC(=O)[C@@H]1CCCN1C(=O)c1ccc2oc(=S)[n-]c2c1 ZINC000908662455 1318384517 /nfs/dbraw/zinc/38/45/17/1318384517.db2.gz NDOBPCJLBRTKSY-ZDUSSCGKSA-N -1 0 330.409 3.256 20 30 EGEDRM C=CCC[C@H](NC(=O)Nc1cnn([C@@H](C)c2ccccc2)c1)C(=O)[O-] ZINC000908678968 1318388562 /nfs/dbraw/zinc/38/85/62/1318388562.db2.gz JELFGCCCSISXKV-BBRMVZONSA-N -1 0 342.399 3.033 20 30 EGEDRM CON(C[C@@H]1CCC[C@H](C)C1)C(=O)c1cc(C#N)c(SC)[n-]c1=O ZINC000812422629 1318390489 /nfs/dbraw/zinc/39/04/89/1318390489.db2.gz QHXOHZQMXSTOHT-NWDGAFQWSA-N -1 0 349.456 3.211 20 30 EGEDRM C=CCC[C@@H](NC(=O)c1cnn(C2CCCC2)c1CCC)C(=O)[O-] ZINC000909716531 1318519837 /nfs/dbraw/zinc/51/98/37/1318519837.db2.gz SRLQJPFTYYSKCP-OAHLLOKOSA-N -1 0 333.432 3.100 20 30 EGEDRM CC(=[NH+][N-]c1ccc(Cl)c(C(=O)[O-])c1)c1cc([N+](=O)[O-])ccc1N ZINC000814689054 1318800814 /nfs/dbraw/zinc/80/08/14/1318800814.db2.gz SWQYHPOAPKUBKY-UHFFFAOYSA-N -1 0 348.746 3.365 20 30 EGEDRM Cc1cccc(C)c1NC(=S)NN=C1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000814707518 1318802388 /nfs/dbraw/zinc/80/23/88/1318802388.db2.gz QVUBPPFTECTULS-JSGCOSHPSA-N -1 0 333.457 3.467 20 30 EGEDRM CC(CC1(C(=O)[O-])CCC1)=NNC(=S)N[C@H]1CCCC[C@@H]1C ZINC000814731199 1318806613 /nfs/dbraw/zinc/80/66/13/1318806613.db2.gz YFCMHWDCEBJAOP-AAEUAGOBSA-N -1 0 325.478 3.050 20 30 EGEDRM Cc1c(C=Nn2c(=O)c3ccccc3[n-]c2=S)n(C)c2ccccc12 ZINC000814780940 1318815156 /nfs/dbraw/zinc/81/51/56/1318815156.db2.gz NWILDBWFDOZSJC-UHFFFAOYSA-N -1 0 348.431 3.368 20 30 EGEDRM C#Cc1cccc(NC(=S)NN=C(C)c2csc(C(=O)[O-])c2)c1 ZINC000814831858 1318826715 /nfs/dbraw/zinc/82/67/15/1318826715.db2.gz UHKOWDFZAINTJM-UHFFFAOYSA-N -1 0 343.433 3.138 20 30 EGEDRM C[C@@H]1C(=NNCc2ccc(Br)cc2)CC[C@@H]1CC(=O)[O-] ZINC000814829378 1318827167 /nfs/dbraw/zinc/82/71/67/1318827167.db2.gz RMSGBTTUANFRAD-CMPLNLGQSA-N -1 0 339.233 3.416 20 30 EGEDRM CC(=NNc1ccc(Br)nc1)c1csc(C(=O)[O-])c1 ZINC000814847434 1318830165 /nfs/dbraw/zinc/83/01/65/1318830165.db2.gz NQUCVWPWRCBWPN-UHFFFAOYSA-N -1 0 340.202 3.440 20 30 EGEDRM CCN(CC)c1ccnc(N=NC(C)[C@@H]2C[C@H](CC(=O)[O-])C2(C)C)n1 ZINC000814872110 1318836082 /nfs/dbraw/zinc/83/60/82/1318836082.db2.gz SEABWLHWEUJRKC-KGLIPLIRSA-N -1 0 347.463 3.248 20 30 EGEDRM O=C([O-])C1(c2ccccc2)CC(=NNCc2cnc3ccccc3c2)C1 ZINC000814877182 1318836814 /nfs/dbraw/zinc/83/68/14/1318836814.db2.gz RMBIJSCXSHFVGH-UHFFFAOYSA-N -1 0 345.402 3.497 20 30 EGEDRM FC(F)(F)[C@@H]1C=C(NN=c2[n-]nc(-c3ccccn3)s2)CCO1 ZINC000814911145 1318847209 /nfs/dbraw/zinc/84/72/09/1318847209.db2.gz UTBLCPPUDWCPEN-JTQLQIEISA-N -1 0 343.334 3.109 20 30 EGEDRM CC(CCc1ccc(O[C@H](C)C(=O)[O-])cc1)N=Nc1ncccc1F ZINC000814927272 1318851068 /nfs/dbraw/zinc/85/10/68/1318851068.db2.gz FOIFGGJQYUHBGU-CYBMUJFWSA-N -1 0 345.374 3.493 20 30 EGEDRM CC[C@@H](NN=C(C)c1sc(-c2ccccc2F)nc1C)C(=O)[O-] ZINC000814936951 1318854079 /nfs/dbraw/zinc/85/40/79/1318854079.db2.gz PCLJWUFSVCQEGL-CYBMUJFWSA-N -1 0 335.404 3.434 20 30 EGEDRM Cc1c(C(=O)[O-])oc2c1C(=NNCc1ccc(F)c(F)c1)CCC2 ZINC000915976196 1319576104 /nfs/dbraw/zinc/57/61/04/1319576104.db2.gz JQKQWYSNONZCJZ-UHFFFAOYSA-N -1 0 334.322 3.395 20 30 EGEDRM CCOc1cccc(/C=C\C(=O)c2cccc(OCC(=O)[O-])c2)c1 ZINC000915984118 1319579228 /nfs/dbraw/zinc/57/92/28/1319579228.db2.gz JAHICWWMJVTGLB-KTKRTIGZSA-N -1 0 326.348 3.445 20 30 EGEDRM O=C([O-])CCOc1ccc(/C=C\C(=O)c2ccc3c(c2)CCO3)cc1 ZINC000915987210 1319579258 /nfs/dbraw/zinc/57/92/58/1319579258.db2.gz YVNDIPHUYAIWLI-CLTKARDFSA-N -1 0 338.359 3.371 20 30 EGEDRM CCOc1cc(/C=C\C(=O)c2ccc(CC(=O)[O-])cc2)ccc1O ZINC000915987918 1319579426 /nfs/dbraw/zinc/57/94/26/1319579426.db2.gz MXUJQSALMFMWEX-UITAMQMPSA-N -1 0 326.348 3.314 20 30 EGEDRM CCn1c2ccccc2c2cc(C=NNc3nnc(C)c(=O)[n-]3)ccc21 ZINC000916280154 1319631622 /nfs/dbraw/zinc/63/16/22/1319631622.db2.gz ZGBRBYDIQKYWKA-UHFFFAOYSA-N -1 0 346.394 3.459 20 30 EGEDRM CCCCCCCCCCC(=O)[N-]S(=O)(=O)c1cccnc1 ZINC000916784570 1319707988 /nfs/dbraw/zinc/70/79/88/1319707988.db2.gz VHPLRWFWIICNPN-UHFFFAOYSA-N -1 0 326.462 3.417 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1nc(-c2ccccc2)oc1C ZINC000916876584 1319718850 /nfs/dbraw/zinc/71/88/50/1319718850.db2.gz BWNJSHHLVBPVMK-OAHLLOKOSA-N -1 0 339.395 3.279 20 30 EGEDRM C=CCNC(=O)C(C#N)=C([O-])c1ccc(Oc2ccc(F)cc2)cc1 ZINC000916916702 1319725071 /nfs/dbraw/zinc/72/50/71/1319725071.db2.gz ABSMMTVASPYGHP-QGZVFWFLSA-N -1 0 338.338 3.243 20 30 EGEDRM C=CCNC(=O)C(C#N)=C([O-])c1cc(C)n([C@H](C)c2ccccc2)c1C ZINC000916921453 1319726066 /nfs/dbraw/zinc/72/60/66/1319726066.db2.gz SWUHHWCADLBWOJ-DNVCBOLYSA-N -1 0 349.434 3.339 20 30 EGEDRM CC(C)NC(=O)C(C#N)=C([O-])c1ccc(Oc2ccc(F)cc2)cc1 ZINC000916945330 1319727474 /nfs/dbraw/zinc/72/74/74/1319727474.db2.gz NGYCTMDRQGEVSU-KRWDZBQOSA-N -1 0 340.354 3.465 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)n(C)n1 ZINC000917519387 1319826740 /nfs/dbraw/zinc/82/67/40/1319826740.db2.gz OPIIUGCGRQRILH-SNVBAGLBSA-N -1 0 330.800 3.482 20 30 EGEDRM C[NH+](C)Cc1cccc(C(=O)/C=C\c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000821022047 1319994103 /nfs/dbraw/zinc/99/41/03/1319994103.db2.gz MTWBMBDELBZYHN-VURMDHGXSA-N -1 0 326.352 3.258 20 30 EGEDRM CC(C)CNN=Cc1cccc(O[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000842530007 1321399738 /nfs/dbraw/zinc/39/97/38/1321399738.db2.gz FADDILQSGZZRJJ-SFHVURJKSA-N -1 0 326.396 3.471 20 30 EGEDRM CC(C)Cn1nccc1/C=C\C(=O)c1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000843268309 1321496406 /nfs/dbraw/zinc/49/64/06/1321496406.db2.gz HNRUFSSSEVAGTI-DANTVBBOSA-N -1 0 342.395 3.287 20 30 EGEDRM C=C(C)CO[N-]C(=O)C(=O)Nc1cccc(COC2CCCCC2)c1 ZINC000846149006 1321771730 /nfs/dbraw/zinc/77/17/30/1321771730.db2.gz FMHOCDVJRMXPOC-UHFFFAOYSA-N -1 0 346.427 3.098 20 30 EGEDRM C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cccc(CSC2CCCC2)c1 ZINC000846154965 1321772817 /nfs/dbraw/zinc/77/28/17/1321772817.db2.gz RGQNOOCQGUEKEM-ZDUSSCGKSA-N -1 0 348.468 3.423 20 30 EGEDRM C=C(C)CO[N-]C(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1C ZINC000846533917 1321791260 /nfs/dbraw/zinc/79/12/60/1321791260.db2.gz HQORCNOCVRNRDL-OAHLLOKOSA-N -1 0 334.416 3.185 20 30 EGEDRM C[C@@H](C/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-])C(=O)OC(C)(C)C ZINC000846757246 1321805136 /nfs/dbraw/zinc/80/51/36/1321805136.db2.gz WEFLUSBBSURGAJ-PCYPHTAMSA-N -1 0 342.779 3.351 20 30 EGEDRM CC(=NNc1ccc(CC(=O)[O-])cc1)c1nc2c(s1)CCCC2 ZINC000848414365 1321957577 /nfs/dbraw/zinc/95/75/77/1321957577.db2.gz NFZSKUKXEUZYOT-UHFFFAOYSA-N -1 0 329.425 3.485 20 30 EGEDRM O=C([O-])Cc1ccc(N=NCCCc2ccc3c(c2)OCCO3)cc1 ZINC000848414321 1321957868 /nfs/dbraw/zinc/95/78/68/1321957868.db2.gz LLHXGGLJIJSPHN-UHFFFAOYSA-N -1 0 340.379 3.115 20 30 EGEDRM COc1ccc(C(=O)C=Cc2c[nH]nc2C(C)(C)C)cc1CC(=O)[O-] ZINC000920063798 1322133225 /nfs/dbraw/zinc/13/32/25/1322133225.db2.gz FDGBHEBTXHZQNV-ALCCZGGFSA-N -1 0 342.395 3.239 20 30 EGEDRM CCOC(=O)c1ccc(C/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000920174707 1322147540 /nfs/dbraw/zinc/14/75/40/1322147540.db2.gz OGBPVFPRNNVRQQ-WOJGMQOQSA-N -1 0 328.324 3.096 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)Cc2ccc(C)c(C)c2)n1 ZINC000920766835 1322220263 /nfs/dbraw/zinc/22/02/63/1322220263.db2.gz IAWDTUNIEILWOW-HNNXBMFYSA-N -1 0 342.420 3.031 20 30 EGEDRM [O-]c1c(Cl)cc(Cl)cc1C=Nc1ccc(-n2cnnn2)cc1 ZINC000920942002 1322237083 /nfs/dbraw/zinc/23/70/83/1322237083.db2.gz FDFROTSOSGSQGS-UHFFFAOYSA-N -1 0 334.166 3.425 20 30 EGEDRM CCCn1nccc1C(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21 ZINC000850739860 1322281016 /nfs/dbraw/zinc/28/10/16/1322281016.db2.gz OZQWTLFUSPVCHW-AWEZNQCLSA-N -1 0 334.379 3.288 20 30 EGEDRM N#C[C@H](C(=O)CCCF)c1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000850739451 1322281299 /nfs/dbraw/zinc/28/12/99/1322281299.db2.gz LIFSTLRIUQMNIA-SNVBAGLBSA-N -1 0 333.388 3.202 20 30 EGEDRM C=CCCCCCCCCNC(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000922489972 1322541402 /nfs/dbraw/zinc/54/14/02/1322541402.db2.gz UVOXAUZHDLKETQ-HNNXBMFYSA-N -1 0 349.479 3.316 20 30 EGEDRM CC#CCCCC(=O)[N-]S(=O)(=O)c1ccc(OC2CCCC2)cc1 ZINC000851470734 1323048406 /nfs/dbraw/zinc/04/84/06/1323048406.db2.gz HMVLDIXPVICKRO-UHFFFAOYSA-N -1 0 349.452 3.007 20 30 EGEDRM CCCn1nccc1/C=C\C(=O)c1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000853005816 1323259544 /nfs/dbraw/zinc/25/95/44/1323259544.db2.gz VULFUTRYLYAQFT-MEJMFZKBSA-N -1 0 328.368 3.041 20 30 EGEDRM COc1cc(C(C)=NOCC2CCC2)ccc1OCCCC(=O)[O-] ZINC000853440351 1325091972 /nfs/dbraw/zinc/09/19/72/1325091972.db2.gz AKSCACICGAFOFX-UHFFFAOYSA-N -1 0 335.400 3.480 20 30 EGEDRM C=CCn1c(=O)c2ccc(C(=O)N(CC)[C@H](C)CC)cc2[n-]c1=S ZINC000855149345 1325356398 /nfs/dbraw/zinc/35/63/98/1325356398.db2.gz ZFXMQEIAOFRTAX-GFCCVEGCSA-N -1 0 345.468 3.132 20 30 EGEDRM Cc1noc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2Cl)c1C#N ZINC001191721479 1367570530 /nfs/dbraw/zinc/57/05/30/1367570530.db2.gz DSJRSAZCOCAEIV-UHFFFAOYSA-N -1 0 346.195 3.271 20 30 EGEDRM C=CCC[C@@H](NC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])c1ccccc1 ZINC000929041675 1328495439 /nfs/dbraw/zinc/49/54/39/1328495439.db2.gz AJCGQPCADNUIEF-KGLIPLIRSA-N -1 0 338.354 3.198 20 30 EGEDRM CC(CCCCCCC(=O)[O-])=NNC[C@@H]1COc2ccccc2O1 ZINC000863199309 1329533410 /nfs/dbraw/zinc/53/34/10/1329533410.db2.gz WGKZHIACNQIXFJ-OAHLLOKOSA-N -1 0 334.416 3.217 20 30 EGEDRM O=C([N-][C@@H]1CCc2c1c(F)ccc2F)C(F)(F)OCC(F)(F)F ZINC001183197583 1387276519 /nfs/dbraw/zinc/27/65/19/1387276519.db2.gz MQYIENAHTSWPOT-SECBINFHSA-N -1 0 345.214 3.240 20 30 EGEDRM Cc1cc(NC(=O)CCC(=O)C2=CC=C[CH]2)nc(C)c1Br ZINC001184240483 1387418634 /nfs/dbraw/zinc/41/86/34/1387418634.db2.gz FFCUBAMJLAVYOC-UHFFFAOYSA-N -1 0 348.220 3.449 20 30 EGEDRM N#Cc1cc(Cl)cc([N-]S(=O)(=O)c2cccnc2Cl)c1 ZINC001184875621 1387552278 /nfs/dbraw/zinc/55/22/78/1387552278.db2.gz WKJIKSCAVGNIHD-UHFFFAOYSA-N -1 0 328.180 3.061 20 30 EGEDRM N#Cc1ccc([N-]S(=O)(=O)c2cc3ccccc3s2)c(C#N)c1 ZINC001185463703 1387721856 /nfs/dbraw/zinc/72/18/56/1387721856.db2.gz BJYQVVZNDWVESA-UHFFFAOYSA-N -1 0 339.401 3.445 20 30 EGEDRM Cc1cc(C#N)c([N-]S(=O)(=O)c2ccc(Cl)nc2)cc1Cl ZINC001185688327 1387778634 /nfs/dbraw/zinc/77/86/34/1387778634.db2.gz ZWRYXRDMOTUBAY-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM COc1ccc2[nH]cc(/C=C/C(=O)Nc3ccc(O)c(C#N)c3)c2c1 ZINC001185755778 1387791299 /nfs/dbraw/zinc/79/12/99/1387791299.db2.gz RDWISQLVPXZOEL-FARCUNLSSA-N -1 0 333.347 3.406 20 30 EGEDRM Cc1cc(C#N)c([N-]S(=O)(=O)Cc2cc(F)ccc2F)cc1F ZINC001189699611 1367089958 /nfs/dbraw/zinc/08/99/58/1367089958.db2.gz ZPWXBKNDZLGYAI-UHFFFAOYSA-N -1 0 340.326 3.226 20 30 EGEDRM Cc1coc(NC(=O)c2cccc(OC(F)(F)F)c2[O-])c1C#N ZINC001189755064 1367103416 /nfs/dbraw/zinc/10/34/16/1367103416.db2.gz JAAIBMQMPXYUOD-UHFFFAOYSA-N -1 0 326.230 3.316 20 30 EGEDRM CCCCOc1cc([N-]S(=O)(=O)c2cc(C#N)ccc2F)ccn1 ZINC001190616971 1367310146 /nfs/dbraw/zinc/31/01/46/1367310146.db2.gz CLXZLZMABMKJCZ-UHFFFAOYSA-N -1 0 349.387 3.072 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cccc(-c3cnco3)c2)c1 ZINC001190648229 1367315168 /nfs/dbraw/zinc/31/51/68/1367315168.db2.gz XMRLGEMIBVPHLV-UHFFFAOYSA-N -1 0 343.339 3.153 20 30 EGEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C3CC3)nc2)c1 ZINC001190939181 1367386728 /nfs/dbraw/zinc/38/67/28/1367386728.db2.gz SHZFFGUQKMXODK-UHFFFAOYSA-N -1 0 333.800 3.285 20 30 EGEDRM C=CCOC[C@H]1CCC[C@@]12CN(C(=O)c1cccc([S-])c1)CCO2 ZINC001186141137 1387878720 /nfs/dbraw/zinc/87/87/20/1387878720.db2.gz QCAKGEPVBNLXRF-VQIMIIECSA-N -1 0 347.480 3.189 20 30 EGEDRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1cc(C)ccc1C#N ZINC001191780252 1367583633 /nfs/dbraw/zinc/58/36/33/1367583633.db2.gz MOBBYIIKQKXUHP-UHFFFAOYSA-N -1 0 330.409 3.375 20 30 EGEDRM N#Cc1ncc(NC(=O)c2ccc([O-])c(F)c2)cc1C(F)(F)F ZINC001186208680 1387896744 /nfs/dbraw/zinc/89/67/44/1387896744.db2.gz GDNAHUJRRNWDFR-UHFFFAOYSA-N -1 0 325.221 3.069 20 30 EGEDRM C[C@H](NC(=O)c1cc(Cl)nc(Cl)c1[O-])c1cccc(C#N)c1 ZINC001193094375 1367942778 /nfs/dbraw/zinc/94/27/78/1367942778.db2.gz YSRZLNNCIZPLAY-QMMMGPOBSA-N -1 0 336.178 3.457 20 30 EGEDRM N#Cc1cccc2c1CC[C@H]2NC(=O)c1cc(Cl)nc(Cl)c1[O-] ZINC001193101177 1367945087 /nfs/dbraw/zinc/94/50/87/1367945087.db2.gz RVMMZUCVJFDZSH-GFCCVEGCSA-N -1 0 348.189 3.383 20 30 EGEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1cc(OCC2CC2)cc(C(F)(F)F)c1 ZINC001193158909 1367956765 /nfs/dbraw/zinc/95/67/65/1367956765.db2.gz WEWCYODTBXBUMH-VIFPVBQESA-N -1 0 348.346 3.148 20 30 EGEDRM N#Cc1nc2ccc(NC(=O)c3ccc(O)c([O-])c3Cl)cc2s1 ZINC001193230316 1367972968 /nfs/dbraw/zinc/97/29/68/1367972968.db2.gz SWSBNIGMFYIRNS-UHFFFAOYSA-N -1 0 345.767 3.485 20 30 EGEDRM COC(=O)c1scc(C#N)c1[N-]C(=O)c1nc(C(C)C)cs1 ZINC001193501160 1368046674 /nfs/dbraw/zinc/04/66/74/1368046674.db2.gz UWZURGAELNOMIW-UHFFFAOYSA-N -1 0 335.410 3.239 20 30 EGEDRM N#Cc1cc(C(=O)NCc2cc3cc(Cl)ccc3[nH]2)ccc1[O-] ZINC001193511637 1368050061 /nfs/dbraw/zinc/05/00/61/1368050061.db2.gz FDOAAHLAMODPHJ-UHFFFAOYSA-N -1 0 325.755 3.329 20 30 EGEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cccc(C3CCC3)n2)c1 ZINC001193653752 1368086134 /nfs/dbraw/zinc/08/61/34/1368086134.db2.gz KTYBERGVHQMXCE-UHFFFAOYSA-N -1 0 343.408 3.030 20 30 EGEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2ccc(Cl)c(F)c2)c1 ZINC001193679679 1368093058 /nfs/dbraw/zinc/09/30/58/1368093058.db2.gz MAYPDYIVPYNSCN-UHFFFAOYSA-N -1 0 340.763 3.160 20 30 EGEDRM N#Cc1ccc(CC2CCN(C(=O)c3ccc(C#N)cc3[O-])CC2)cc1 ZINC001195741210 1368481054 /nfs/dbraw/zinc/48/10/54/1368481054.db2.gz JCHJRASNWUQHDB-UHFFFAOYSA-N -1 0 345.402 3.230 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2ccc(OCc3ccncc3)cc2)c([O-])c1 ZINC001195759032 1368483460 /nfs/dbraw/zinc/48/34/60/1368483460.db2.gz WAGRLIMCWVOBKD-UHFFFAOYSA-N -1 0 345.358 3.490 20 30 EGEDRM Cc1ccc(C#N)c([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)c1 ZINC001196639910 1368654250 /nfs/dbraw/zinc/65/42/50/1368654250.db2.gz USNAVDXLSNCSIV-UHFFFAOYSA-N -1 0 331.784 3.193 20 30 EGEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(C(F)F)nc1 ZINC001196650212 1368656304 /nfs/dbraw/zinc/65/63/04/1368656304.db2.gz IYPMQRNWLPBXOW-UHFFFAOYSA-N -1 0 343.742 3.345 20 30 EGEDRM CCc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)c(O)c1 ZINC001196680329 1368660825 /nfs/dbraw/zinc/66/08/25/1368660825.db2.gz INYDQAVDAGJUKJ-UHFFFAOYSA-N -1 0 336.800 3.280 20 30 EGEDRM COc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)ccc1F ZINC001196679530 1368660855 /nfs/dbraw/zinc/66/08/55/1368660855.db2.gz AKTHGZLVTALOSC-UHFFFAOYSA-N -1 0 340.763 3.160 20 30 EGEDRM COc1ccc(F)c(S(=O)(=O)[N-]c2cccc(Cl)c2C#N)c1 ZINC001196763047 1368678899 /nfs/dbraw/zinc/67/88/99/1368678899.db2.gz MNGVOPXIYHTUBM-UHFFFAOYSA-N -1 0 340.763 3.160 20 30 EGEDRM C[C@H](NC(=S)Nc1ccc(C(=O)[O-])cc1)c1cccc(C#N)c1 ZINC001197127059 1368750175 /nfs/dbraw/zinc/75/01/75/1368750175.db2.gz KQOBHXMGXGEGCA-NSHDSACASA-N -1 0 325.393 3.304 20 30 EGEDRM CC(C)Oc1ccc(C(=O)Nc2cc(C#N)c(F)cc2[O-])cc1O ZINC001198293660 1368999363 /nfs/dbraw/zinc/99/93/63/1368999363.db2.gz RLYZOGITLUSZQJ-UHFFFAOYSA-N -1 0 330.315 3.148 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C#N)cc1C#N ZINC001201320145 1369518232 /nfs/dbraw/zinc/51/82/32/1369518232.db2.gz PZVMRNKAPFSJKH-UHFFFAOYSA-N -1 0 331.784 3.193 20 30 EGEDRM C#Cc1cccnc1[N-]S(=O)(=O)c1c(C)c(C)c(C)c(C)c1C ZINC001201791872 1369624557 /nfs/dbraw/zinc/62/45/57/1369624557.db2.gz BNTJQPUWFQPFIY-UHFFFAOYSA-N -1 0 328.437 3.406 20 30 EGEDRM COC(=O)c1cc(C#N)cc(C)c1Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001203333650 1370087477 /nfs/dbraw/zinc/08/74/77/1370087477.db2.gz HPXZBDFRDYJRBM-UHFFFAOYSA-N -1 0 346.289 3.373 20 30 EGEDRM COc1cc(C(F)(F)F)c(C#N)c(-c2ccsc2C(=O)[O-])n1 ZINC001205542743 1370786200 /nfs/dbraw/zinc/78/62/00/1370786200.db2.gz TVXCVXSXHKRJBK-UHFFFAOYSA-N -1 0 328.271 3.407 20 30 EGEDRM C=C1CCN(C(=O)OC(C)(C)C)C[C@H]1OCc1ccc(C(=O)[O-])cc1 ZINC001205681053 1370841608 /nfs/dbraw/zinc/84/16/08/1370841608.db2.gz PWJFILVYGYPJQS-MRXNPFEDSA-N -1 0 347.411 3.467 20 30 EGEDRM Cc1c(S(=O)(=O)[N-]c2ncccc2C#N)sc2cccc(F)c12 ZINC001116736448 1370963956 /nfs/dbraw/zinc/96/39/56/1370963956.db2.gz RBZYSDLTBDKCLK-UHFFFAOYSA-N -1 0 347.396 3.416 20 30 EGEDRM C=CC[C@@H](NC(=O)NCC(C)(C)Cc1cccc(Cl)c1)C(=O)[O-] ZINC001116888214 1370995358 /nfs/dbraw/zinc/99/53/58/1370995358.db2.gz WSIXISJSAFZDJB-CQSZACIVSA-N -1 0 338.835 3.237 20 30 EGEDRM C=CC[C@H](NC(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC001116906157 1370998304 /nfs/dbraw/zinc/99/83/04/1370998304.db2.gz GEVPJBZIIQNPRX-UPJWGTAASA-N -1 0 328.195 3.242 20 30 EGEDRM CCCCCCCCS(=O)(=O)[N-]c1c(C)cccc1C(N)=O ZINC001188017729 1388216386 /nfs/dbraw/zinc/21/63/86/1388216386.db2.gz CUQIMEXRSQNWPC-UHFFFAOYSA-N -1 0 326.462 3.196 20 30 EGEDRM N#Cc1cc(Br)cc(Nc2cc(C(=O)[O-])cnc2F)c1 ZINC001215129736 1373174909 /nfs/dbraw/zinc/17/49/09/1373174909.db2.gz AZPPRGFTYMUVLH-UHFFFAOYSA-N -1 0 336.120 3.297 20 30 EGEDRM N#Cc1cnn(-c2ccccc2)c1Nc1ccc(F)c(C(=O)[O-])c1F ZINC001215269978 1373192646 /nfs/dbraw/zinc/19/26/46/1373192646.db2.gz JGCYEGBEISBZAJ-UHFFFAOYSA-N -1 0 340.289 3.464 20 30 EGEDRM N#Cc1cccc2c1c(N)nn2-c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC001215641156 1373223163 /nfs/dbraw/zinc/22/31/63/1373223163.db2.gz GDVJVFBRJNOJSU-UHFFFAOYSA-N -1 0 346.268 3.196 20 30 EGEDRM N#Cc1cc(-c2nc(-c3ncccc3C(F)(F)F)no2)ccc1[O-] ZINC001216969757 1373372952 /nfs/dbraw/zinc/37/29/52/1373372952.db2.gz PXDLSFYQWDVPFF-UHFFFAOYSA-N -1 0 332.241 3.395 20 30 EGEDRM COc1cc(/C=C/C(=O)c2ccccc2[O-])ccc1OC1CC(O)C1 ZINC001218258866 1373584803 /nfs/dbraw/zinc/58/48/03/1373584803.db2.gz AJCXNWPVZKKCQP-SOFGYWHQSA-N -1 0 340.375 3.199 20 30 EGEDRM COc1cc([O-])c(C(=O)/C=C/c2ccccc2)c(OC2CC(O)C2)c1 ZINC001218260148 1373585493 /nfs/dbraw/zinc/58/54/93/1373585493.db2.gz MOMKMNSDOFHLQK-BQYQJAHWSA-N -1 0 340.375 3.199 20 30 EGEDRM C=CCOc1ccccc1[C@@H](C)Oc1nc2ncnc-2c(S)[n-]1 ZINC001226786713 1375334374 /nfs/dbraw/zinc/33/43/74/1375334374.db2.gz RLQGHHTUQRSLFU-SNVBAGLBSA-N -1 0 328.397 3.346 20 30 EGEDRM COc1ccc(C(=O)c2ccc(OC)cc2O[C@@H](C)CS)c([O-])c1 ZINC001228112062 1375519461 /nfs/dbraw/zinc/51/94/61/1375519461.db2.gz FLDQYSRRCXZTID-NSHDSACASA-N -1 0 348.420 3.338 20 30 EGEDRM C=CC[C@H](C=C)Oc1cc(O)cc([O-])c1C(=O)c1ccc(O)c(O)c1 ZINC001228522922 1375585145 /nfs/dbraw/zinc/58/51/45/1375585145.db2.gz QTCSWDLWTZEMOJ-ZDUSSCGKSA-N -1 0 342.347 3.250 20 30 EGEDRM C#C[C@@H](Oc1[n-]c(C(F)(F)F)cc(=O)c1[N+](=O)[O-])c1ccccc1 ZINC001228861042 1375696539 /nfs/dbraw/zinc/69/65/39/1375696539.db2.gz ZTRGIMLTOFBNBK-LLVKDONJSA-N -1 0 338.241 3.468 20 30 EGEDRM C[C@H](C#C[Si](C)(C)C)Oc1[n-]c(C(F)(F)F)cc(=O)c1[N+](=O)[O-] ZINC001228860015 1375696860 /nfs/dbraw/zinc/69/68/60/1375696860.db2.gz QROTXEZFDSDCEH-MRVPVSSYSA-N -1 0 348.353 3.362 20 30 EGEDRM Cc1cc([S-])ccc1O[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC001229634748 1375870034 /nfs/dbraw/zinc/87/00/34/1375870034.db2.gz LZENQVYILFUIOW-DOMZBBRYSA-N -1 0 334.441 3.422 20 30 EGEDRM N#Cc1cc(Br)c(Cl)cc1[N-]S(=O)(=O)CC1CC1 ZINC001188977908 1388425599 /nfs/dbraw/zinc/42/55/99/1388425599.db2.gz XKTIFNGEFTYKIT-UHFFFAOYSA-N -1 0 349.637 3.126 20 30 EGEDRM COc1ccc(OC[C@@H](C)Oc2ccc(/C=N/O)cc2OC)cc1 ZINC001233801961 1376719497 /nfs/dbraw/zinc/71/94/97/1376719497.db2.gz FHHNWDDDUVTMGH-OTGIAGGSSA-N -1 0 331.368 3.358 20 30 EGEDRM C=CCCCCCC[C@@H](C)Oc1c(C(=O)OC)n[n-]c1C(=O)OC ZINC001234194320 1376784631 /nfs/dbraw/zinc/78/46/31/1376784631.db2.gz OFLNQQXIFBYKNK-GFCCVEGCSA-N -1 0 338.404 3.277 20 30 EGEDRM CC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C#N)cn2C(C)(C)C)c1 ZINC001189191263 1388479997 /nfs/dbraw/zinc/47/99/97/1388479997.db2.gz AQUCXAZNCSTZDM-UHFFFAOYSA-N -1 0 345.424 3.118 20 30 EGEDRM N#Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC001259090640 1377121152 /nfs/dbraw/zinc/12/11/52/1377121152.db2.gz KQVCQYMPACMUCH-UHFFFAOYSA-N -1 0 328.727 3.291 20 30 EGEDRM Cc1cc(C#N)c([N-]S(=O)(=O)Cc2ccc(F)c(F)c2)s1 ZINC001189273511 1388504336 /nfs/dbraw/zinc/50/43/36/1388504336.db2.gz ZUZHIXZHMDMLSX-UHFFFAOYSA-N -1 0 328.365 3.148 20 30 EGEDRM CC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(C#N)cc2O)c1 ZINC001148859808 1379284573 /nfs/dbraw/zinc/28/45/73/1379284573.db2.gz QGTZQYZUIKYNNQ-UHFFFAOYSA-N -1 0 329.743 3.128 20 30 EGEDRM C=CC[C@H](NC(=O)[C@H](CC)Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001327984092 1388639317 /nfs/dbraw/zinc/63/93/17/1388639317.db2.gz BMTDHQDKRWZRJP-OCCSQVGLSA-N -1 0 343.345 3.420 20 30 EGEDRM CCC[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1ccccc1C#N ZINC001328267051 1388705067 /nfs/dbraw/zinc/70/50/67/1388705067.db2.gz ZRURJQQWGUEYHO-OAHLLOKOSA-N -1 0 348.468 3.360 20 30 EGEDRM COc1c(Br)ccc(Nc2cncc(C(=O)[O-])c2)c1C#N ZINC001175843563 1385419799 /nfs/dbraw/zinc/41/97/99/1385419799.db2.gz UCEGDLXLAFGYFU-UHFFFAOYSA-N -1 0 348.156 3.166 20 30 EGEDRM Cc1c(Cl)cc(NC(=O)Cc2ccnc(C#N)c2)c([O-])c1Cl ZINC001177671464 1386019950 /nfs/dbraw/zinc/01/99/50/1386019950.db2.gz XILSDWKUCGGPLK-UHFFFAOYSA-N -1 0 336.178 3.455 20 30 EGEDRM CC1(C)Cc2cccc([N-]S(=O)(=O)c3ccc(CC#N)cc3)c2O1 ZINC001320993628 1386778613 /nfs/dbraw/zinc/77/86/13/1386778613.db2.gz PLQBNKCEZMQTJW-UHFFFAOYSA-N -1 0 342.420 3.267 20 30 EGEDRM C=CC[C@H](NC(=O)C[C@@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC001321166616 1386828155 /nfs/dbraw/zinc/82/81/55/1386828155.db2.gz HOMATQABXFTWJS-MFKMUULPSA-N -1 0 329.318 3.345 20 30 EGEDRM C=CC[C@H](NC(=O)CCc1ccc(-c2ccccc2F)o1)C(=O)[O-] ZINC001321206316 1386840792 /nfs/dbraw/zinc/84/07/92/1386840792.db2.gz NISWQTCRQUWQRC-HNNXBMFYSA-N -1 0 331.343 3.164 20 30 EGEDRM C=CC[C@@H](NC(=O)c1sc(-c2ccccc2)cc1OC)C(=O)[O-] ZINC001339861079 1390177564 /nfs/dbraw/zinc/17/75/64/1390177564.db2.gz FEMWGEIDEDRGAS-GFCCVEGCSA-N -1 0 331.393 3.183 20 30 EGEDRM C=C(C)Cc1cccc(-c2nnc(N3CCC[C@@H](CF)C3)n2C)c1O ZINC001341828471 1390534647 /nfs/dbraw/zinc/53/46/47/1390534647.db2.gz ULZDBFUXZGJZGM-AWEZNQCLSA-N -1 0 344.434 3.492 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)C(=O)NC2CCCCC2)c(C)n1CC1CC1 ZINC001343367734 1390709663 /nfs/dbraw/zinc/70/96/63/1390709663.db2.gz VBSZIVDZIPWWAB-SFHVURJKSA-N -1 0 341.455 3.286 20 30 EGEDRM CCn1ncc(C([O-])=C(C#N)c2cnc3ccccc3n2)c1C1CC1 ZINC001343477885 1390716602 /nfs/dbraw/zinc/71/66/02/1390716602.db2.gz HIJJSNZMMJWUHL-CYBMUJFWSA-N -1 0 331.379 3.214 20 30 EGEDRM C=C(C)CCC(=O)N[C@H](CC(=O)[O-])c1cccc(Br)c1 ZINC001344523698 1390797170 /nfs/dbraw/zinc/79/71/70/1390797170.db2.gz ZAWNGVLKLFNYRO-CYBMUJFWSA-N -1 0 340.217 3.437 20 30 EGEDRM CCn1ccnc1C(C#N)=C([O-])[C@@H](C(=O)OC(C)(C)C)C1CCCC1 ZINC001345647261 1390871804 /nfs/dbraw/zinc/87/18/04/1390871804.db2.gz UMZYWBKIHOTXGK-CABCVRRESA-N -1 0 345.443 3.227 20 30 EGEDRM Cn1nc(C([O-])=C(C#N)c2nc3c(cccc3Cl)[nH]2)cc1C1CC1 ZINC001349760785 1391363674 /nfs/dbraw/zinc/36/36/74/1391363674.db2.gz SWZUEHRVAZVWED-JTQLQIEISA-N -1 0 339.786 3.317 20 30 EGEDRM C=CC[C@H](NC(=O)/C=C/c1cccc(OC2CCCC2)c1)C(=O)[O-] ZINC001350743122 1391521084 /nfs/dbraw/zinc/52/10/84/1391521084.db2.gz GUGBYVGQPWVOLH-FLVLSHQESA-N -1 0 329.396 3.167 20 30 EGEDRM C=CCn1c(-c2c[n-]n(CC)c2=O)nnc1N1CCC[C@@](C)(CC)C1 ZINC001351545994 1391650534 /nfs/dbraw/zinc/65/05/34/1391650534.db2.gz YTSHDNXHYYPNTD-GOSISDBHSA-N -1 0 344.463 3.070 20 30 EGEDRM Fc1cccc(N=NCc2c[nH]c3ccc(-c4nn[n-]n4)cc23)c1F ZINC000822791290 1428364005 /nfs/dbraw/zinc/36/40/05/1428364005.db2.gz GUHXBYGBANFOPD-UHFFFAOYSA-N -1 0 339.309 3.072 20 30 EGEDRM C=CCOc1ccc(OCc2ccc(-c3nn[n-]n3)cc2OC)cc1 ZINC000823931830 1428433539 /nfs/dbraw/zinc/43/35/39/1428433539.db2.gz GRXASOYTJBYECY-UHFFFAOYSA-N -1 0 338.367 3.019 20 30 EGEDRM Cc1ccc([N+](=O)[O-])cc1C(=O)C=Cc1ccc(-c2nn[n-]n2)s1 ZINC000822270897 1428678284 /nfs/dbraw/zinc/67/82/84/1428678284.db2.gz BVUVKYKOBLEELT-XQRVVYSFSA-N -1 0 341.352 3.041 20 30 EGEDRM Cc1ccccc1CC(C)N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000824457120 1428776081 /nfs/dbraw/zinc/77/60/81/1428776081.db2.gz FHUFPFMWOQCMBX-UHFFFAOYSA-N -1 0 341.806 3.254 20 30 EGEDRM N#Cc1ccc(CNc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)cc1 ZINC000822825620 1429324907 /nfs/dbraw/zinc/32/49/07/1429324907.db2.gz JADWKISBSQZQRM-UHFFFAOYSA-N -1 0 344.300 3.369 20 30 EGEDRM C[C@@H](OC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1cccc(C#N)c1 ZINC000736153053 1429668118 /nfs/dbraw/zinc/66/81/18/1429668118.db2.gz PNTCUNXCUSVUPR-ASCRHOAZSA-N -1 0 345.362 3.056 20 30 EGEDRM C#CCCCCCC(=O)N(CC(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000823841970 1423994683 /nfs/dbraw/zinc/99/46/83/1423994683.db2.gz WNSAFZSMLUJDPJ-UHFFFAOYSA-N -1 0 339.443 3.439 20 30 EGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@H](CC)C(C)C ZINC000735419971 1424041655 /nfs/dbraw/zinc/04/16/55/1424041655.db2.gz KXUQAQGKZWXUAU-INIZCTEOSA-N -1 0 341.459 3.454 20 30 EGEDRM CC(C)[C@H](C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000820016239 1424942749 /nfs/dbraw/zinc/94/27/49/1424942749.db2.gz KULXYMYBIQQARD-KRWDZBQOSA-N -1 0 346.394 3.117 20 30 EGEDRM Fc1ccc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1F ZINC000826374197 1425512164 /nfs/dbraw/zinc/51/21/64/1425512164.db2.gz PMDQQQIWFPOTTL-UHFFFAOYSA-N -1 0 334.717 3.244 20 30 EGEDRM CCN(CCC#N)Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000821207177 1425609566 /nfs/dbraw/zinc/60/95/66/1425609566.db2.gz JCNPLKKXXOIUFZ-UHFFFAOYSA-N -1 0 332.411 3.269 20 30 EGEDRM Cc1ccc([N+](=O)[O-])cc1C(=O)C=Cc1cc(-c2nn[n-]n2)cs1 ZINC000822271420 1426468556 /nfs/dbraw/zinc/46/85/56/1426468556.db2.gz ZNUVMUMDOVGUIS-PLNGDYQASA-N -1 0 341.352 3.041 20 30 EGEDRM C[C@@H](Nc1snc(Cl)c1C#N)c1cccc(-c2nnn[n-]2)c1 ZINC000820462289 1426525317 /nfs/dbraw/zinc/52/53/17/1426525317.db2.gz XAJSJLKXJCCCML-SSDOTTSWSA-N -1 0 331.792 3.021 20 30 EGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H](C)C(C)(C)C ZINC000735418733 1426731841 /nfs/dbraw/zinc/73/18/41/1426731841.db2.gz HTAYYHDCSZOXSU-ZDUSSCGKSA-N -1 0 327.432 3.064 20 30 EGEDRM CCc1cccnc1C(C)=NNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825728729 1427611678 /nfs/dbraw/zinc/61/16/78/1427611678.db2.gz XMYVKUBXPBXBLH-UHFFFAOYSA-N -1 0 341.806 3.314 20 30 EGEDRM COc1c(C)cc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc1C ZINC000826167124 1428146539 /nfs/dbraw/zinc/14/65/39/1428146539.db2.gz QIBZLOURWRGYAZ-SNAWJCMRSA-N -1 0 340.408 3.450 20 30 EGEDRM O=C(C=Cc1ccc2ncccc2c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826401473 1430143701 /nfs/dbraw/zinc/14/37/01/1430143701.db2.gz ZUZQWGYDGJFGFM-YWEYNIOJSA-N -1 0 345.337 3.450 20 30 EGEDRM CC(C)[C@@H]1CCCC1N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC000824216361 1441792141 /nfs/dbraw/zinc/79/21/41/1441792141.db2.gz QEVMAWJEUULVTD-JTQLQIEISA-N -1 0 331.424 3.376 20 30 EGEDRM COc1ccc(C=CC(=O)c2cc(C)cc(C)c2)cc1-c1nn[n-]n1 ZINC000737081965 1441824525 /nfs/dbraw/zinc/82/45/25/1441824525.db2.gz SLNFQFPXXQEMTO-GQCTYLIASA-N -1 0 334.379 3.388 20 30 EGEDRM Cc1c(C(=O)C=CC=Cc2ccccc2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737204323 1442482559 /nfs/dbraw/zinc/48/25/59/1442482559.db2.gz ZKSTVTFYEDKLKM-QKHYZZJUSA-N -1 0 345.406 3.375 20 30 EGEDRM COc1ccc([C@H](C)C(C)N=Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821777879 1443437585 /nfs/dbraw/zinc/43/75/85/1443437585.db2.gz NLWXWVPZEAOQOS-GFCCVEGCSA-N -1 0 336.399 3.467 20 30 EGEDRM O=C1C(=Cc2cc(-c3nn[n-]n3)cs2)Cc2c1c(F)ccc2F ZINC000826475724 1443446366 /nfs/dbraw/zinc/44/63/66/1443446366.db2.gz OJDKCWIAMPLQTH-XVNBXDOJSA-N -1 0 330.319 3.029 20 30 EGEDRM O=C1c2cccc(Cl)c2OC1=Cc1ccc(-c2nn[n-]n2)s1 ZINC000823503390 1443881577 /nfs/dbraw/zinc/88/15/77/1443881577.db2.gz FJZCOPWVBIMZGE-UXBLZVDNSA-N -1 0 330.756 3.198 20 30 EGEDRM CCOc1cccc(C=N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1O ZINC000821427504 1446999199 /nfs/dbraw/zinc/99/91/99/1446999199.db2.gz UHIZDPYRBREJHQ-ZDFPAGSVSA-N -1 0 337.383 3.151 20 30 EGEDRM COc1ccc(C)cc1C(=O)C=Cc1cc(-c2nn[n-]n2)cs1 ZINC000821782638 1447249646 /nfs/dbraw/zinc/24/96/46/1447249646.db2.gz ITEHVCVXTUZGGR-PLNGDYQASA-N -1 0 326.381 3.141 20 30 EGEDRM CCCCCCCCNC(=O)N1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC000321708125 970799272 /nfs/dbraw/zinc/79/92/72/970799272.db2.gz COHCMBFVIJOJTN-AWEZNQCLSA-N -1 0 338.370 3.396 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)Nc1cccc(Oc2ccccc2C)c1 ZINC001602688453 971290853 /nfs/dbraw/zinc/29/08/53/971290853.db2.gz MXORYSKGLSRLGH-UHFFFAOYSA-N -1 0 338.363 3.339 20 30 EGEDRM C#CCSc1ccc(COC(=O)[C@@]2(C(=O)[O-])CC=CCC2)cc1 ZINC001602704563 971335152 /nfs/dbraw/zinc/33/51/52/971335152.db2.gz KYSJRQDYEBXLFL-SFHVURJKSA-N -1 0 330.405 3.266 20 30 EGEDRM COc1cc(NC(=O)c2ccccc2SCC#N)ccc1C(=O)[O-] ZINC000326882587 971340183 /nfs/dbraw/zinc/34/01/83/971340183.db2.gz AUVFDTVCXXDHLF-UHFFFAOYSA-N -1 0 342.376 3.261 20 30 EGEDRM CCc1c(C)sc(NC(=O)Cc2ccccc2C(=O)[O-])c1C#N ZINC001593626874 953555717 /nfs/dbraw/zinc/55/57/17/953555717.db2.gz AZNFRJHXOPCTKF-UHFFFAOYSA-N -1 0 328.393 3.370 20 30 EGEDRM CC(C)[C@@H](CNC(=O)[C@](C)(C#N)CC(=O)[O-])c1ccc(Cl)cc1 ZINC001602978519 971995850 /nfs/dbraw/zinc/99/58/50/971995850.db2.gz YBUCPAWUDSELLR-PBHICJAKSA-N -1 0 336.819 3.200 20 30 EGEDRM CN(CCCC(=O)[O-])C(=O)c1ccccc1Oc1ccccc1C#N ZINC001593747188 954392574 /nfs/dbraw/zinc/39/25/74/954392574.db2.gz XLUXQJMPRCGTDF-UHFFFAOYSA-N -1 0 338.363 3.287 20 30 EGEDRM C[C@H](COC(=O)[C@](C)(C#N)CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001589075284 955804218 /nfs/dbraw/zinc/80/42/18/955804218.db2.gz MCXAOZFLSHBVMF-BMIGLBTASA-N -1 0 343.301 3.357 20 30 EGEDRM Cn1ncc(C(=O)[O-])c1CNc1ccc(Oc2ccccc2)c(C#N)c1 ZINC001594583508 955992869 /nfs/dbraw/zinc/99/28/69/955992869.db2.gz QTRKEHSSYJHAMF-UHFFFAOYSA-N -1 0 348.362 3.394 20 30 EGEDRM N#Cc1c[nH]c2cc(C(=O)Nc3cccc(CCC(=O)[O-])c3)ccc12 ZINC001594614335 956230747 /nfs/dbraw/zinc/23/07/47/956230747.db2.gz SEYDWVTYRIOGOG-UHFFFAOYSA-N -1 0 333.347 3.309 20 30 EGEDRM N#Cc1ccc(C(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1Cl ZINC001594617943 956257620 /nfs/dbraw/zinc/25/76/20/956257620.db2.gz UBRXWJILALUWDF-GDBMZVCRSA-N -1 0 340.766 3.255 20 30 EGEDRM N#Cc1ccc(C2(C(=O)Nc3ccnc(C(=O)[O-])c3)CCCC2)cc1 ZINC001594618156 956260177 /nfs/dbraw/zinc/26/01/77/956260177.db2.gz GFTYGUIOPURDBJ-UHFFFAOYSA-N -1 0 335.363 3.102 20 30 EGEDRM N#Cc1ccc(F)c(CNC(=O)Nc2cccc(CCC(=O)[O-])c2)c1 ZINC001594619802 956271170 /nfs/dbraw/zinc/27/11/70/956271170.db2.gz PMYAYMAIOLMBHV-UHFFFAOYSA-N -1 0 341.342 3.036 20 30 EGEDRM CC(C)c1ccc(C[C@@H]2CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C2)cc1 ZINC001603100615 972176987 /nfs/dbraw/zinc/17/69/87/972176987.db2.gz XIOWVSLZFFSGHP-JXFKEZNVSA-N -1 0 342.439 3.206 20 30 EGEDRM CC(C)(C(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21)c1ccc(C#N)cc1 ZINC000902014249 956604477 /nfs/dbraw/zinc/60/44/77/956604477.db2.gz CMPBPRSVYKENIF-ROUUACIJSA-N -1 0 348.402 3.265 20 30 EGEDRM COc1cc(C#N)cc(Cl)c1OC(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001594050097 957973649 /nfs/dbraw/zinc/97/36/49/957973649.db2.gz QPFXOJGYVJSCSC-NSCUHMNNSA-N -1 0 347.710 3.130 20 30 EGEDRM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@]1(C(=O)[O-])CC=CCC1 ZINC001588440035 958325718 /nfs/dbraw/zinc/32/57/18/958325718.db2.gz LIXWGQPSBYRUMT-LJQANCHMSA-N -1 0 345.443 3.180 20 30 EGEDRM C#CCN(CC(=O)[O-])Cc1cc(Br)c2ccccc2c1 ZINC001573319337 958472264 /nfs/dbraw/zinc/47/22/64/958472264.db2.gz BHYSXAWWNSYYIT-UHFFFAOYSA-N -1 0 332.197 3.122 20 30 EGEDRM C=CCC(F)(F)C(=O)Nc1cc(C(=O)[O-])ccc1Br ZINC001573329133 958506820 /nfs/dbraw/zinc/50/68/20/958506820.db2.gz ZXYOEAATMTZIOZ-UHFFFAOYSA-N -1 0 334.116 3.297 20 30 EGEDRM C[C@H](NC(=O)c1cc(C#N)ccc1Cl)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001603234493 972363485 /nfs/dbraw/zinc/36/34/85/972363485.db2.gz PGOXSXDNASHSBR-TVYUQYBPSA-N -1 0 334.803 3.077 20 30 EGEDRM CC(C)(C#N)c1ccc(C(=O)N[C@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC001573381137 958660351 /nfs/dbraw/zinc/66/03/51/958660351.db2.gz DLLIAWCEERIYEQ-FQEVSTJZSA-N -1 0 336.391 3.218 20 30 EGEDRM CC(C)(C#N)c1ccc(C(=O)Nc2nc3ccccn3c2C(=O)[O-])cc1 ZINC001573381950 958668148 /nfs/dbraw/zinc/66/81/48/958668148.db2.gz QXMLYAOTLDBOTP-UHFFFAOYSA-N -1 0 348.362 3.086 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(SC(F)(F)F)cc1 ZINC001588541832 958965998 /nfs/dbraw/zinc/96/59/98/958965998.db2.gz NGNUYBXVVHBNFA-LBPRGKRZSA-N -1 0 332.303 3.242 20 30 EGEDRM C=CCO[C@@H]1CCN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC001326813454 961129909 /nfs/dbraw/zinc/12/99/09/961129909.db2.gz XBQGHZDQBBWZMU-MRXNPFEDSA-N -1 0 344.436 3.285 20 30 EGEDRM CC(C)(C)c1ccc([C@@H](C#N)NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)cc1 ZINC001588739834 961161297 /nfs/dbraw/zinc/16/12/97/961161297.db2.gz XGDBJQFBZGBIKV-SQWLQELKSA-N -1 0 328.412 3.166 20 30 EGEDRM N#CC[C@H](CC(=O)N[C@H](C(=O)[O-])c1ccc(F)cc1)c1ccccc1 ZINC001574481088 961669127 /nfs/dbraw/zinc/66/91/27/961669127.db2.gz UQADVYGIFSDLMG-QAPCUYQASA-N -1 0 340.354 3.155 20 30 EGEDRM N#CC[C@H](CC(=O)Nc1nc2ccccn2c1C(=O)[O-])c1ccccc1 ZINC001574481023 961669728 /nfs/dbraw/zinc/66/97/28/961669728.db2.gz SVPMLVLNOOYDJH-CQSZACIVSA-N -1 0 348.362 3.059 20 30 EGEDRM N#Cc1ccccc1/C=C\C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001574489068 961700306 /nfs/dbraw/zinc/70/03/06/961700306.db2.gz GIJGNSWAJWGUDZ-IHVSBYRNSA-N -1 0 332.359 3.001 20 30 EGEDRM C#CC[C@@H](NC(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2)C(=O)[O-] ZINC001573302751 962660712 /nfs/dbraw/zinc/66/07/12/962660712.db2.gz FASCSPVIDQSMNX-QWHCGFSZSA-N -1 0 333.453 3.105 20 30 EGEDRM C#CCC1(C(=O)N2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)CCCCC1 ZINC001354052942 962704837 /nfs/dbraw/zinc/70/48/37/962704837.db2.gz WOFBUEIOYHYOCO-OLZOCXBDSA-N -1 0 345.361 3.072 20 30 EGEDRM C#Cc1ccccc1CC(=O)Nc1cc(C(=O)[O-])cc2cccnc21 ZINC001573313546 962733382 /nfs/dbraw/zinc/73/33/82/962733382.db2.gz KTJVTRCNTDPYGW-UHFFFAOYSA-N -1 0 330.343 3.096 20 30 EGEDRM C#Cc1cncc(C(=O)Nc2cc(C(=O)[O-])cc(Cl)c2Cl)c1 ZINC001573313726 962736230 /nfs/dbraw/zinc/73/62/30/962736230.db2.gz PXQYCRNQBQUBME-UHFFFAOYSA-N -1 0 335.146 3.320 20 30 EGEDRM C=C(C)C[C@H](NC(=O)c1cc(Cl)cc(Br)c1)C(=O)[O-] ZINC001573321083 962754575 /nfs/dbraw/zinc/75/45/75/962754575.db2.gz ILHMBAOVYQRZCL-NSHDSACASA-N -1 0 346.608 3.252 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)N(C)[C@@H](C)c1ccccc1Br ZINC001573325156 962794550 /nfs/dbraw/zinc/79/45/50/962794550.db2.gz FOXUAOIUBGHRCZ-NSHDSACASA-N -1 0 340.217 3.390 20 30 EGEDRM C=C(CC)CN(C)[C@@H](C(=O)[O-])c1cc(OC)ccc1Br ZINC001573325471 962796468 /nfs/dbraw/zinc/79/64/68/962796468.db2.gz JXNMUZXEHOGVCE-CQSZACIVSA-N -1 0 342.233 3.481 20 30 EGEDRM C=C[C@H](CC(=O)Nc1[nH]c(C(=O)[O-])cc1C(C)=O)c1ccccc1 ZINC001573347112 962945360 /nfs/dbraw/zinc/94/53/60/962945360.db2.gz JFABOEOVWQOPPM-GFCCVEGCSA-N -1 0 326.352 3.214 20 30 EGEDRM C=CC(C)(C)CC(=O)NCc1ccc(C(=O)[O-])cc1Br ZINC001573347934 962954240 /nfs/dbraw/zinc/95/42/40/962954240.db2.gz QGWRKMFTMMBGMH-UHFFFAOYSA-N -1 0 340.217 3.366 20 30 EGEDRM C=CC[C@H](C)N1CCOc2c(Br)cc(C(=O)[O-])cc2C1 ZINC001573351774 962982063 /nfs/dbraw/zinc/98/20/63/962982063.db2.gz YCDAIWUDZAJOFT-JTQLQIEISA-N -1 0 340.217 3.306 20 30 EGEDRM C=CCCC[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1)C(=O)[O-] ZINC001573356509 963008252 /nfs/dbraw/zinc/00/82/52/963008252.db2.gz DANXTIXEFKBHSU-MXWKQRLJSA-N -1 0 327.833 3.431 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1ccccc1NCc1ccco1)C(=O)[O-] ZINC001573367282 963064447 /nfs/dbraw/zinc/06/44/47/963064447.db2.gz UEDDPYVNKMMWAM-KRWDZBQOSA-N -1 0 342.395 3.431 20 30 EGEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001573368518 963081351 /nfs/dbraw/zinc/08/13/51/963081351.db2.gz NGHKNYQSMYNQIY-UHFFFAOYSA-N -1 0 343.354 3.361 20 30 EGEDRM C#CCCCOc1cccnc1NCc1ccc(OC)c(C(=O)[O-])c1 ZINC001588446267 964069115 /nfs/dbraw/zinc/06/91/15/964069115.db2.gz CCLBPQDDUHQMJP-UHFFFAOYSA-N -1 0 340.379 3.193 20 30 EGEDRM C=C[C@H](C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1)c1ccccc1 ZINC001588450598 964097306 /nfs/dbraw/zinc/09/73/06/964097306.db2.gz UFFNYVUEBSJUOB-GBESFXJTSA-N -1 0 335.403 3.283 20 30 EGEDRM C=CC[C@@H]1CCCN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)C1 ZINC001353155947 969779478 /nfs/dbraw/zinc/77/94/78/969779478.db2.gz NWPMCEWALLNKLB-XYPHTWIQSA-N -1 0 328.412 3.297 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC001609691398 970447631 /nfs/dbraw/zinc/44/76/31/970447631.db2.gz MJBFUUMCEVRENL-HACGYAERSA-N -1 0 334.803 3.097 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1CC[C@H](C(F)(F)F)c2ccccc21 ZINC001609691641 970450626 /nfs/dbraw/zinc/45/06/26/970450626.db2.gz ZFZWAGAUSKUSDU-XHDPSFHLSA-N -1 0 340.301 3.074 20 30 EGEDRM N#CCOc1ccc(NC(=O)Nc2ccc(C(=O)[O-])cc2F)cc1 ZINC001610623390 970757534 /nfs/dbraw/zinc/75/75/34/970757534.db2.gz MSQYZOGCEZSDOQ-UHFFFAOYSA-N -1 0 329.287 3.070 20 30 EGEDRM Cc1c2cc(C#N)ccc2sc1C(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC001605076530 972705555 /nfs/dbraw/zinc/70/55/55/972705555.db2.gz DZQVORMRDQOBJS-CYBMUJFWSA-N -1 0 330.409 3.168 20 30 EGEDRM N#CCc1cccc(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC001605601531 973904577 /nfs/dbraw/zinc/90/45/77/973904577.db2.gz QOIMGBNVPORTAY-SJORKVTESA-N -1 0 335.363 3.187 20 30 EGEDRM N#CCc1cccc(NC(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)c1 ZINC001605601530 973905236 /nfs/dbraw/zinc/90/52/36/973905236.db2.gz QOIMGBNVPORTAY-IRXDYDNUSA-N -1 0 335.363 3.187 20 30 EGEDRM O=C([O-])c1ccc(C(=O)N2CCCSC2=Nc2ccccc2)cn1 ZINC001606471586 973947618 /nfs/dbraw/zinc/94/76/18/973947618.db2.gz BQBUPIHFUWPUPR-UHFFFAOYSA-N -1 0 341.392 3.047 20 30 EGEDRM CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccnc1C(=O)[O-] ZINC001603672334 974048898 /nfs/dbraw/zinc/04/88/98/974048898.db2.gz DLVONQYHFLVDAO-UHFFFAOYSA-N -1 0 338.367 3.096 20 30 EGEDRM CC(C)Oc1ccc(NC(=O)N[C@@](C)(CC(=O)[O-])C2CC2)cc1C#N ZINC001591786545 975956616 /nfs/dbraw/zinc/95/66/16/975956616.db2.gz GZNIAQGMVCZALD-SFHVURJKSA-N -1 0 345.399 3.110 20 30 EGEDRM CC(C)Oc1cccc(/C=C2\CCn3nc(C(=O)[O-])cc3C2=O)c1 ZINC001591792268 975997961 /nfs/dbraw/zinc/99/79/61/975997961.db2.gz RYQZLOUILGQXAV-MDWZMJQESA-N -1 0 326.352 3.039 20 30 EGEDRM CC(C)c1nc(NC(=O)c2sccc2CC#N)sc1C(=O)[O-] ZINC001592030195 976734376 /nfs/dbraw/zinc/73/43/76/976734376.db2.gz CYINZEIUKALBDL-UHFFFAOYSA-N -1 0 335.410 3.345 20 30 EGEDRM CCOCc1cc(C=NNc2cccc(C(=O)[O-])c2)ccc1OC ZINC000747602899 978686688 /nfs/dbraw/zinc/68/66/88/978686688.db2.gz STDYGQBHPBIREP-UHFFFAOYSA-N -1 0 328.368 3.376 20 30 EGEDRM CCOC(=O)C(F)(F)[C@H]1CCC(N=Nc2cccc(C(=O)[O-])c2)C1 ZINC000752717347 978692783 /nfs/dbraw/zinc/69/27/83/978692783.db2.gz FJCGUOIAHPSRGE-NSHDSACASA-N -1 0 340.326 3.151 20 30 EGEDRM COc1ccc(CN=Nc2ccc(C(=O)[O-])cn2)cc1OCC(C)C ZINC000763369127 978721393 /nfs/dbraw/zinc/72/13/93/978721393.db2.gz QARYYURSRYWISC-UHFFFAOYSA-N -1 0 343.383 3.269 20 30 EGEDRM C[C@@H](C#N)Oc1ccccc1NC(=O)CC1(CC(=O)[O-])CCCC1 ZINC000779705054 978783907 /nfs/dbraw/zinc/78/39/07/978783907.db2.gz YMSFOODRKZSEMT-ZDUSSCGKSA-N -1 0 330.384 3.341 20 30 EGEDRM COc1ccccc1-c1ncc(C=NNc2ccccc2C(=O)[O-])cn1 ZINC000792940322 978801350 /nfs/dbraw/zinc/80/13/50/978801350.db2.gz MTGIWHMJYHWPSD-UHFFFAOYSA-N -1 0 348.362 3.296 20 30 EGEDRM Cc1cccc(NC(=S)NN=C2CC[C@H](CC(=O)[O-])[C@@H]2C)c1C ZINC000814706790 978875027 /nfs/dbraw/zinc/87/50/27/978875027.db2.gz FUSJLHRNXLVWQQ-QWHCGFSZSA-N -1 0 333.457 3.467 20 30 EGEDRM Cc1cccc(C)c1NC(=S)NN=C1CC[C@H](CC(=O)[O-])[C@H]1C ZINC000814706933 978875257 /nfs/dbraw/zinc/87/52/57/978875257.db2.gz HGUZHDFCEZVMDU-CHWSQXEVSA-N -1 0 333.457 3.467 20 30 EGEDRM C[C@H]1C(N=Nc2cncc(Br)c2)CC[C@@H]1CC(=O)[O-] ZINC000814886434 978896066 /nfs/dbraw/zinc/89/60/66/978896066.db2.gz BTASUAHBNXTKIC-RKDXNWHRSA-N -1 0 326.194 3.133 20 30 EGEDRM CC[C@@](CNC(=O)c1cccc(C#N)c1C)(C(=O)[O-])c1ccccc1 ZINC001595163934 979704159 /nfs/dbraw/zinc/70/41/59/979704159.db2.gz CMBFLZNNEGIFSC-FQEVSTJZSA-N -1 0 336.391 3.029 20 30 EGEDRM CC[C@@](CNc1cc(C#N)sc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC001595172628 979744271 /nfs/dbraw/zinc/74/42/71/979744271.db2.gz JVMZXSQLYRAZLH-INIZCTEOSA-N -1 0 345.380 3.372 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)/C=C\c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000864188148 979836407 /nfs/dbraw/zinc/83/64/07/979836407.db2.gz QRIFAUWWRBKTBW-MEJMFZKBSA-N -1 0 327.302 3.254 20 30 EGEDRM C=C(C)C[C@H](NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1)C(=O)[O-] ZINC000864188598 979837200 /nfs/dbraw/zinc/83/72/00/979837200.db2.gz UECVHXQETLTQPT-AWEZNQCLSA-N -1 0 348.399 3.183 20 30 EGEDRM C=CC1(CC(=O)N2CC[C@H](C(=O)[O-])C[C@@H]2[C@H]2CCCO2)CCCCC1 ZINC000899545537 980230164 /nfs/dbraw/zinc/23/01/64/980230164.db2.gz AHZIZZJQQVYWGL-GVDBMIGSSA-N -1 0 349.471 3.384 20 30 EGEDRM CC[C@@](NC(=O)c1cccc(C#N)c1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595271018 980287878 /nfs/dbraw/zinc/28/78/78/980287878.db2.gz VZVRPNRQMZNTGR-SFHVURJKSA-N -1 0 342.782 3.332 20 30 EGEDRM C#CCCOc1ccc(CN[C@H](C)c2ncc(C(=O)[O-])s2)cc1 ZINC000901913182 980624633 /nfs/dbraw/zinc/62/46/33/980624633.db2.gz XFNHYSMURSDYNV-GFCCVEGCSA-N -1 0 330.409 3.094 20 30 EGEDRM CC[C@H](OC(=O)c1ccc(OCc2ccccc2C#N)cc1)C(=O)[O-] ZINC001595351906 980662323 /nfs/dbraw/zinc/66/23/23/980662323.db2.gz OIVULBGSBXHYGF-KRWDZBQOSA-N -1 0 339.347 3.157 20 30 EGEDRM C=CC1(CC(=O)N2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)CCCCC1 ZINC000907670059 981205873 /nfs/dbraw/zinc/20/58/73/981205873.db2.gz VSVHNESAPIADPU-OAHLLOKOSA-N -1 0 333.350 3.379 20 30 EGEDRM CCC[C@@H](C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1)c1ccccn1 ZINC001595537972 981389653 /nfs/dbraw/zinc/38/96/53/981389653.db2.gz PAOXJWPJAKGQLV-WBVHZDCISA-N -1 0 338.363 3.206 20 30 EGEDRM C=CCCC[C@@H](NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1)c1ccccc1 ZINC000910515797 981981679 /nfs/dbraw/zinc/98/16/79/981981679.db2.gz HLCCAQBHWFQVMM-MWQQHZPXSA-N -1 0 331.412 3.078 20 30 EGEDRM CCCC[C@@H](ON=C(C)C)C(=O)N(C)[C@H](C(=O)[O-])c1ccccc1 ZINC001595651238 982019185 /nfs/dbraw/zinc/01/91/85/982019185.db2.gz DKMQGDNLWFOMPC-CVEARBPZSA-N -1 0 334.416 3.242 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1c(C)onc1-c1ccc(F)cc1)C(=O)[O-] ZINC000910915369 982162495 /nfs/dbraw/zinc/16/24/95/982162495.db2.gz YJKHDWAAOCIJHL-AWEZNQCLSA-N -1 0 346.358 3.328 20 30 EGEDRM CCCCCCCS(=O)(=O)N[C@@H](C(=O)[O-])c1ccc(F)c(C)c1 ZINC001595709260 982292516 /nfs/dbraw/zinc/29/25/16/982292516.db2.gz YNYUCABWYOZFCE-OAHLLOKOSA-N -1 0 345.436 3.150 20 30 EGEDRM O=C([O-])[C@H]1CCN(C(=O)Nc2cccc(C#Cc3cccs3)c2)C1 ZINC001594925741 982504854 /nfs/dbraw/zinc/50/48/54/982504854.db2.gz JAEYZRIVHKJLTP-AWEZNQCLSA-N -1 0 340.404 3.086 20 30 EGEDRM CCOC(=O)Cc1ccc(C(=O)/C=C/c2ccc(C(=O)[O-])cc2)cc1 ZINC000915105814 982663199 /nfs/dbraw/zinc/66/31/99/982663199.db2.gz FWMVEBKBKJHKOK-KPKJPENVSA-N -1 0 338.359 3.387 20 30 EGEDRM CC[C@@H](C)C[C@H](Nc1ncc(Br)cc1C#N)C(=O)[O-] ZINC001594954169 982684738 /nfs/dbraw/zinc/68/47/38/982684738.db2.gz ZYJJUVLITCLOGH-KCJUWKMLSA-N -1 0 326.194 3.017 20 30 EGEDRM CC[C@@](C)(C#N)C(=O)NC[C@@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000923063898 982702458 /nfs/dbraw/zinc/70/24/58/982702458.db2.gz DGLZUDBYWIXTDE-UZLBHIALSA-N -1 0 338.407 3.139 20 30 EGEDRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)[C@]2(C#N)CC3CCC2CC3)C1 ZINC000923068211 982705255 /nfs/dbraw/zinc/70/52/55/982705255.db2.gz CYULGMNOYUHHTA-FMXGKWINSA-N -1 0 332.444 3.056 20 30 EGEDRM CCCN(Cc1ccc(C#N)cc1)C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001595885878 982910913 /nfs/dbraw/zinc/91/09/13/982910913.db2.gz KVFBNQYCGMEFIN-CSKARUKUSA-N -1 0 338.363 3.301 20 30 EGEDRM CCCON=Cc1ccc(OCc2ccc(C(=O)[O-])o2)c(OC)c1 ZINC001595947200 983114288 /nfs/dbraw/zinc/11/42/88/983114288.db2.gz MHBHRMMYDRZJKL-UHFFFAOYSA-N -1 0 333.340 3.326 20 30 EGEDRM C#C[C@H](NC(=O)Nc1ccc(C(=O)[O-])cc1C)c1ccc(F)cc1 ZINC001588373768 983339776 /nfs/dbraw/zinc/33/97/76/983339776.db2.gz JOJLFCVEJRQYME-HNNXBMFYSA-N -1 0 326.327 3.328 20 30 EGEDRM C#C[C@H](NC(=O)Nc1ccc(CC(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC001588374571 983345186 /nfs/dbraw/zinc/34/51/86/983345186.db2.gz ZUYPYZSJKAITQF-INIZCTEOSA-N -1 0 342.782 3.463 20 30 EGEDRM CCCc1c(C(=O)OCc2cccc(C#N)c2)[nH]c(C)c1C(=O)[O-] ZINC001596048602 983345250 /nfs/dbraw/zinc/34/52/50/983345250.db2.gz MXGJRTGVEIGQGR-UHFFFAOYSA-N -1 0 326.352 3.203 20 30 EGEDRM C#C[C@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(Cl)cc1F ZINC001588378496 983362720 /nfs/dbraw/zinc/36/27/20/983362720.db2.gz YZZNUKFZSNCREC-DLBZAZTESA-N -1 0 342.757 3.441 20 30 EGEDRM CCCc1nc(C)c(C(=O)OCc2cccc(C(=O)[O-])c2C#N)s1 ZINC001596082166 983398963 /nfs/dbraw/zinc/39/89/63/983398963.db2.gz JUQLVBAPUVZLLH-UHFFFAOYSA-N -1 0 344.392 3.331 20 30 EGEDRM C#CCC1(C(=O)OCc2cccc(C(=O)[O-])c2C#N)CCCCC1 ZINC001588427795 983458033 /nfs/dbraw/zinc/45/80/33/983458033.db2.gz MEAKHSQCSAKQPF-UHFFFAOYSA-N -1 0 325.364 3.273 20 30 EGEDRM C#CCCOc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2OC)cc1 ZINC001588455124 983478833 /nfs/dbraw/zinc/47/88/33/983478833.db2.gz DMTUAKSBQFEEOG-UHFFFAOYSA-N -1 0 339.347 3.048 20 30 EGEDRM C#CCCOc1ccc(CN(C)c2ccc(OCC(=O)[O-])cc2)cc1 ZINC001588458699 983483640 /nfs/dbraw/zinc/48/36/40/983483640.db2.gz SMWLNMVPFZDLHX-UHFFFAOYSA-N -1 0 339.391 3.189 20 30 EGEDRM C#CCOc1ccccc1NC(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC001588504960 983549292 /nfs/dbraw/zinc/54/92/92/983549292.db2.gz PUZMJOPSAIBSKW-CYBMUJFWSA-N -1 0 344.392 3.098 20 30 EGEDRM C#Cc1cc(F)c(NCC(=O)Nc2cc(C(=O)[O-])ccc2C)c(F)c1 ZINC001588510801 983557252 /nfs/dbraw/zinc/55/72/52/983557252.db2.gz MJMNHNYVWUEJHC-UHFFFAOYSA-N -1 0 344.317 3.003 20 30 EGEDRM C#Cc1ccc(C(=O)NC[C@@H]2CCCc3ccc(C(=O)[O-])cc32)cc1 ZINC001588510867 983557562 /nfs/dbraw/zinc/55/75/62/983557562.db2.gz MSNHANGEYUWNQM-SFHVURJKSA-N -1 0 333.387 3.216 20 30 EGEDRM C#Cc1ccc([C@@H](OC(=O)C[C@H](C)CC(=O)[O-])C(F)(F)F)cc1 ZINC001588516587 983561604 /nfs/dbraw/zinc/56/16/04/983561604.db2.gz QNYJYGFPUMQDSZ-MEBBXXQBSA-N -1 0 328.286 3.315 20 30 EGEDRM C#Cc1cccc(CNC(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)c1 ZINC001588522123 983569363 /nfs/dbraw/zinc/56/93/63/983569363.db2.gz CTXNAEOETMTSAM-UHFFFAOYSA-N -1 0 333.347 3.169 20 30 EGEDRM C=C(Br)CN1CCC(Cc2ncc(C(=O)[O-])s2)CC1 ZINC001588529029 983579340 /nfs/dbraw/zinc/57/93/40/983579340.db2.gz OBVLLURWIWTXEC-UHFFFAOYSA-N -1 0 345.262 3.004 20 30 EGEDRM C=C(C)C[C@H](NC(=O)[C@H](C)CC(=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC001588537147 983597911 /nfs/dbraw/zinc/59/79/11/983597911.db2.gz JFBBYIRMENIXGD-RISCZKNCSA-N -1 0 337.803 3.085 20 30 EGEDRM C=C(C)C[C@H](NC(=O)c1ccc(OC(F)(F)Cl)cc1)C(=O)[O-] ZINC001588547302 983619497 /nfs/dbraw/zinc/61/94/97/983619497.db2.gz WZQOAVBHAOJFPO-NSHDSACASA-N -1 0 333.718 3.004 20 30 EGEDRM C=C(C)CN(Cc1ccccc1)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001588567083 983645965 /nfs/dbraw/zinc/64/59/65/983645965.db2.gz BYJVFCFSHBSRAZ-UHFFFAOYSA-N -1 0 325.368 3.390 20 30 EGEDRM C=C(C)Cn1c(-c2ccccc2C)nnc1N1CCC[C@H](C(=O)[O-])C1 ZINC001588579296 983661024 /nfs/dbraw/zinc/66/10/24/983661024.db2.gz YNRNFPVDFIZXRY-HNNXBMFYSA-N -1 0 340.427 3.131 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(-c2nc(CC)no2)cc1Cl ZINC001588629249 983736102 /nfs/dbraw/zinc/73/61/02/983736102.db2.gz DBJVDASPCKVNKY-UHFFFAOYSA-N -1 0 349.774 3.312 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC001588629601 983738275 /nfs/dbraw/zinc/73/82/75/983738275.db2.gz FXNFBQWUTLZMQB-UHFFFAOYSA-N -1 0 344.455 3.493 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1cc(Br)c(F)cc1C ZINC001588630632 983745416 /nfs/dbraw/zinc/74/54/16/983745416.db2.gz UNPPNZCWFHIQOS-UHFFFAOYSA-N -1 0 330.153 3.256 20 30 EGEDRM C=C[C@H](C(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)[O-])c1ccccc1 ZINC001588664262 983799661 /nfs/dbraw/zinc/79/96/61/983799661.db2.gz PDTFXJFXXFYHFY-AEFFLSMTSA-N -1 0 341.382 3.155 20 30 EGEDRM C=CC(C)(C)CCCNS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC001588677118 983833843 /nfs/dbraw/zinc/83/38/43/983833843.db2.gz RMLFCCARHUIGGW-UHFFFAOYSA-N -1 0 339.457 3.272 20 30 EGEDRM C=CCC(F)(F)C(=O)N[C@@H](C[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC001588742471 984032826 /nfs/dbraw/zinc/03/28/26/984032826.db2.gz DTFMFIFPLMVPFA-HIFRSBDPSA-N -1 0 337.366 3.277 20 30 EGEDRM C=CCC1(CNC(=O)[C@@]2(C(=O)[O-])C[C@@H]2c2ccccc2)CCCC1 ZINC001588767271 984129470 /nfs/dbraw/zinc/12/94/70/984129470.db2.gz RKVONNZMFSPLSO-OXQOHEQNSA-N -1 0 327.424 3.498 20 30 EGEDRM C=CC[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC001588770580 984135213 /nfs/dbraw/zinc/13/52/13/984135213.db2.gz BFWSCPQLTWLPRY-DZGCQCFKSA-N -1 0 337.441 3.106 20 30 EGEDRM C=CCCC[C@@H](NC(=O)CCc1cnc2ccccc2c1)C(=O)[O-] ZINC001588788720 984192372 /nfs/dbraw/zinc/19/23/72/984192372.db2.gz LEHFFCMDTRDFEI-QGZVFWFLSA-N -1 0 326.396 3.093 20 30 EGEDRM C=CCCC[C@H](NC(=O)/C=C(/CC)c1ccc(OC)cc1)C(=O)[O-] ZINC001588790248 984205162 /nfs/dbraw/zinc/20/51/62/984205162.db2.gz UESMNFWIOZTEOT-NJWFCXLTSA-N -1 0 331.412 3.414 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1cc(Cl)c(Cl)cc1N)C(=O)[O-] ZINC001588792826 984213803 /nfs/dbraw/zinc/21/38/03/984213803.db2.gz OBUOCNLIHVJDQZ-GFCCVEGCSA-N -1 0 331.199 3.115 20 30 EGEDRM C=CCCC[C@H](NC(=O)c1cccc(Oc2ccccn2)c1)C(=O)[O-] ZINC001588793139 984216351 /nfs/dbraw/zinc/21/63/51/984216351.db2.gz LIUFXKKTCWIUCI-INIZCTEOSA-N -1 0 340.379 3.413 20 30 EGEDRM C=CCCN(OCc1ccccc1)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001588807288 984259556 /nfs/dbraw/zinc/25/95/56/984259556.db2.gz HIRWKHWCBGXCGP-UHFFFAOYSA-N -1 0 343.383 3.265 20 30 EGEDRM C=CCN(Cc1cccs1)C(=O)NCc1cc(C(=O)[O-])c(C)o1 ZINC001588831609 984314739 /nfs/dbraw/zinc/31/47/39/984314739.db2.gz DMTBPOMNPHSDOT-UHFFFAOYSA-N -1 0 334.397 3.246 20 30 EGEDRM C=CCc1cccc(C(C)C)c1NC(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001588886602 984472962 /nfs/dbraw/zinc/47/29/62/984472962.db2.gz NYXKYSAOSCJCSQ-ZSHCYNCHSA-N -1 0 328.412 3.333 20 30 EGEDRM C=CCc1cccc(C(C)C)c1NC(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001588886723 984473412 /nfs/dbraw/zinc/47/34/12/984473412.db2.gz PEKMSBHFSLOSIH-UHFFFAOYSA-N -1 0 342.399 3.464 20 30 EGEDRM C=CCn1c(S[C@@H](C(=O)[O-])[C@H](C)CC)nnc1-c1cccnc1 ZINC001588905007 984534068 /nfs/dbraw/zinc/53/40/68/984534068.db2.gz LXOGUQMJLOKRBZ-DGCLKSJQSA-N -1 0 332.429 3.118 20 30 EGEDRM CCOC(=O)c1[nH]c(C)c(/C=C/C(=O)c2cc(C(=O)[O-])cs2)c1C ZINC001596691569 984806172 /nfs/dbraw/zinc/80/61/72/984806172.db2.gz KMZLCVMKJWYFQN-AATRIKPKSA-N -1 0 347.392 3.464 20 30 EGEDRM CCOC(=O)c1ccc(Sc2ccc(C(=O)[O-])nc2C#N)c(F)c1 ZINC001596728591 984987628 /nfs/dbraw/zinc/98/76/28/984987628.db2.gz HSUZWYAFZUMKIZ-UHFFFAOYSA-N -1 0 346.339 3.118 20 30 EGEDRM CCO[C@@H]1CC(N=Nc2ccc(C(=O)[O-])c(Cl)c2)[C@@H]1SC ZINC001596804637 985327318 /nfs/dbraw/zinc/32/73/18/985327318.db2.gz KFQIWJFCVZSCNL-OLZOCXBDSA-N -1 0 328.821 3.347 20 30 EGEDRM Cc1[nH]c(C2=NN/C(=N/C3CCCCC3)SC2)c(C)c1C(=O)[O-] ZINC001599960847 985778427 /nfs/dbraw/zinc/77/84/27/985778427.db2.gz YFXXVYLJEIGNDY-UHFFFAOYSA-N -1 0 334.445 3.059 20 30 EGEDRM Cc1c(C#N)cccc1NC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC001599975106 986076814 /nfs/dbraw/zinc/07/68/14/986076814.db2.gz SFMJOHILRZMQMK-CQSZACIVSA-N -1 0 329.400 3.221 20 30 EGEDRM C[C@H](C#N)CN(C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1)C1CC1 ZINC001589329912 986167969 /nfs/dbraw/zinc/16/79/69/986167969.db2.gz VZCBWFCXRSEPEA-MRVPVSSYSA-N -1 0 339.754 3.333 20 30 EGEDRM C[C@H]1CO[C@@H](C(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)C1 ZINC001594587757 986487148 /nfs/dbraw/zinc/48/71/48/986487148.db2.gz RJMVHCYKFKFDRM-AUUYWEPGSA-N -1 0 349.386 3.148 20 30 EGEDRM C[C@@H]1C[C@H](C)Cc2c(C#N)c(NC(=O)[C@H]3CC[C@H]3C(=O)[O-])sc21 ZINC001594612746 986612243 /nfs/dbraw/zinc/61/22/43/986612243.db2.gz WABCMOSHDXOAPC-ZRUFSTJUSA-N -1 0 332.425 3.355 20 30 EGEDRM CCOc1ccc(O)c(/C=N\C[C@@](C)(C(=O)[O-])c2ccccc2)c1 ZINC001597130867 986853472 /nfs/dbraw/zinc/85/34/72/986853472.db2.gz YHSYDENRHASDDE-CNJGYECJSA-N -1 0 327.380 3.252 20 30 EGEDRM CC(C)(C#N)c1ccc(/C=C2\CCn3nc(C(=O)[O-])cc3C2=O)cc1 ZINC001589557744 987307713 /nfs/dbraw/zinc/30/77/13/987307713.db2.gz GRHKFNRHSOGBDP-UKTHLTGXSA-N -1 0 335.363 3.052 20 30 EGEDRM CCc1ccc(C#CC(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)cc1 ZINC001597494514 988036066 /nfs/dbraw/zinc/03/60/66/988036066.db2.gz DFPJJGQVBBQPFT-RBUKOAKNSA-N -1 0 333.387 3.427 20 30 EGEDRM CCc1ccc(C#CC(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1 ZINC001597495007 988040088 /nfs/dbraw/zinc/04/00/88/988040088.db2.gz NYXXZKAIVHVHEE-MGPUTAFESA-N -1 0 335.403 3.179 20 30 EGEDRM CCc1ccc([C@@H](C#N)N(C)C(=O)c2cc(C(=O)[O-])oc2C)cc1 ZINC001597509039 988089217 /nfs/dbraw/zinc/08/92/17/988089217.db2.gz VYRCYJGWHAGPQX-OAHLLOKOSA-N -1 0 326.352 3.186 20 30 EGEDRM C[C@@H](CC(=O)[O-])NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC001599832886 988700487 /nfs/dbraw/zinc/70/04/87/988700487.db2.gz RKWQABOJFTYGJR-LBPRGKRZSA-N -1 0 339.351 3.335 20 30 EGEDRM CC(C)(C)c1n[nH]cc1C=CC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001590537353 990153895 /nfs/dbraw/zinc/15/38/95/990153895.db2.gz SMCGUGYKBAPUEV-TWGQIWQCSA-N -1 0 328.368 3.067 20 30 EGEDRM CN(C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1)[C@H]1CCC[C@H]1C#N ZINC001598056619 990317535 /nfs/dbraw/zinc/31/75/35/990317535.db2.gz QTICOBMIPUGHOC-UFBFGSQYSA-N -1 0 339.754 3.333 20 30 EGEDRM CC(C)(CCC#N)CNC(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC001590656319 990353286 /nfs/dbraw/zinc/35/32/86/990353286.db2.gz ODLHSENMXYYJLM-UHFFFAOYSA-N -1 0 328.372 3.318 20 30 EGEDRM CC(C)(CNC(=O)c1c(Cl)cc(C#N)cc1Cl)CC(=O)[O-] ZINC001590743485 990541750 /nfs/dbraw/zinc/54/17/50/990541750.db2.gz OGHKDHGIKSKZAK-UHFFFAOYSA-N -1 0 329.183 3.096 20 30 EGEDRM CC(C)CN(C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)c1ccc(C#N)cc1 ZINC001591349426 992334322 /nfs/dbraw/zinc/33/43/22/992334322.db2.gz MHILZQKFSVGIGX-WKILWMFISA-N -1 0 328.412 3.438 20 30 EGEDRM CN(Cc1ccc(C#N)cc1Cl)c1ccc(OCC(=O)[O-])cc1 ZINC001598509541 992552228 /nfs/dbraw/zinc/55/22/28/992552228.db2.gz ZHXPCOYJUZNVGK-UHFFFAOYSA-N -1 0 330.771 3.311 20 30 EGEDRM CN(Cc1nc2c(s1)CCCC2)Cc1cccc(C(=O)[O-])c1C#N ZINC001598537321 992855989 /nfs/dbraw/zinc/85/59/89/992855989.db2.gz QOVIOVFAKBXZJA-UHFFFAOYSA-N -1 0 341.436 3.224 20 30 EGEDRM COc1ccc2cc(CN(C)c3ccc(C(=O)[O-])nc3C#N)ccc2c1 ZINC001599635009 994273574 /nfs/dbraw/zinc/27/35/74/994273574.db2.gz JFGKAVURXFRKRI-UHFFFAOYSA-N -1 0 347.374 3.450 20 30 EGEDRM C[C@H](Oc1ccccc1/C=C/C(=O)c1cnn(C2CCC2)c1)C(=O)[O-] ZINC001593645262 995972912 /nfs/dbraw/zinc/97/29/12/995972912.db2.gz RJLLXBFCWIOYAJ-LXKVQUBZSA-N -1 0 340.379 3.356 20 30 EGEDRM C[C@@H](c1ccc(C#N)cc1)n1cc(CC2(C(=O)[O-])CCCCC2)nn1 ZINC001593686830 996124813 /nfs/dbraw/zinc/12/48/13/996124813.db2.gz SYDPOORHSHKLRX-AWEZNQCLSA-N -1 0 338.411 3.337 20 30 EGEDRM COCC(N=Nc1cc(C(=O)[O-])ccc1Br)C(C)C ZINC001599140831 998126335 /nfs/dbraw/zinc/12/63/35/998126335.db2.gz FTBIEMKQMROHLY-UHFFFAOYSA-N -1 0 329.194 3.218 20 30 EGEDRM C[C@H]1CCc2c(C#N)c(NC(=O)c3cc(C(=O)[O-])ccn3)sc2C1 ZINC001594443881 999632174 /nfs/dbraw/zinc/63/21/74/999632174.db2.gz JGXREDANDMOPAQ-VIFPVBQESA-N -1 0 341.392 3.090 20 30 EGEDRM N#Cc1ccc(C2=CCN(C(=O)c3ccc([O-])c([N+](=O)[O-])c3)CC2)cc1 ZINC000368325432 168343382 /nfs/dbraw/zinc/34/33/82/168343382.db2.gz AIBJJEFSUGSMAF-UHFFFAOYSA-N -1 0 349.346 3.102 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2cnn(C)c2-n2c(C)ccc2C)n1 ZINC000066504219 215050177 /nfs/dbraw/zinc/05/01/77/215050177.db2.gz GIOOXYOBJRYUQA-CYBMUJFWSA-N -1 0 339.424 3.083 20 30 EGEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)CC1(C(=O)[O-])CCCC1 ZINC000067456267 215148829 /nfs/dbraw/zinc/14/88/29/215148829.db2.gz VAFBUWJVAMVTKB-UHFFFAOYSA-N -1 0 330.384 3.319 20 30 EGEDRM O=C([O-])C(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2n1 ZINC000032642014 212820754 /nfs/dbraw/zinc/82/07/54/212820754.db2.gz PSAKHUYUMWVJHU-RVDMUPIBSA-N -1 0 348.314 3.337 20 30 EGEDRM C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc(F)c([O-])c(F)c1 ZINC000186716171 257953097 /nfs/dbraw/zinc/95/30/97/257953097.db2.gz XAHWXWSEQXHGKK-UHFFFAOYSA-N -1 0 328.318 3.370 20 30 EGEDRM O=C([N-]S(=O)(=O)CCC(F)(F)F)[C@@H]1C[C@@]12CCc1ccccc12 ZINC000328595615 258043197 /nfs/dbraw/zinc/04/31/97/258043197.db2.gz ZGDWXOCIZPHQKD-GXTWGEPZSA-N -1 0 347.358 3.129 20 30 EGEDRM CCCOc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)cc1OC ZINC000184779854 144099136 /nfs/dbraw/zinc/09/91/36/144099136.db2.gz NHBVKAIOMNSBOU-UHFFFAOYSA-N -1 0 346.408 3.156 20 30 EGEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc2occ(C)c2c1 ZINC000187078576 144151798 /nfs/dbraw/zinc/15/17/98/144151798.db2.gz RWQAIKCTLGSNOC-UHFFFAOYSA-N -1 0 342.376 3.422 20 30 EGEDRM C[C@](CC(=O)Nc1ccc(C#N)cc1F)(C(=O)[O-])c1ccccc1 ZINC000325397675 154178965 /nfs/dbraw/zinc/17/89/65/154178965.db2.gz FIGAIFAGRWSSME-GOSISDBHSA-N -1 0 326.327 3.068 20 30 EGEDRM Cc1cc(NC(=O)[C@@H](C)Oc2ccccc2C#N)cc(C(=O)[O-])c1C ZINC000327384624 154186393 /nfs/dbraw/zinc/18/63/93/154186393.db2.gz WKHZCKSFSXRFBG-CYBMUJFWSA-N -1 0 338.363 3.279 20 30 EGEDRM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N=c1[n-]n(C(C)C)cc1C#N ZINC000330971864 154192408 /nfs/dbraw/zinc/19/24/08/154192408.db2.gz UFAKXBBCBRLBBS-IMJJTQAJSA-N -1 0 332.448 3.070 20 30 EGEDRM CCCCCn1nc(C)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000361951517 156953328 /nfs/dbraw/zinc/95/33/28/156953328.db2.gz JUCAOQFLCAGOSR-UHFFFAOYSA-N -1 0 332.429 3.054 20 30 EGEDRM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2ccccc2C#N)c1 ZINC000357383805 166663888 /nfs/dbraw/zinc/66/38/88/166663888.db2.gz GVIQOUWCZZKERO-UHFFFAOYSA-N -1 0 336.800 3.159 20 30 EGEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1cc(F)ccc1-c1ccoc1 ZINC000359720521 167214314 /nfs/dbraw/zinc/21/43/14/167214314.db2.gz CDODRYRJUXBRSQ-UHFFFAOYSA-N -1 0 336.326 3.232 20 30 EGEDRM CCc1ccc(CNS(=O)(=O)c2cccc(Cl)c2C#N)s1 ZINC000443103666 270052252 /nfs/dbraw/zinc/05/22/52/270052252.db2.gz BLDSDFQPFHAHFB-UHFFFAOYSA-N -1 0 340.857 3.314 20 30 EGEDRM CC(=Cc1cccc(OC(F)(F)F)c1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000193615285 266047162 /nfs/dbraw/zinc/04/71/62/266047162.db2.gz ZSOMFRCYKYQHRR-RMKNXTFCSA-N -1 0 335.285 3.409 20 30 EGEDRM CC[C@H](C)n1ncc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c1C ZINC000435718952 267208584 /nfs/dbraw/zinc/20/85/84/267208584.db2.gz ZPYYFVRLTVQILE-LBPRGKRZSA-N -1 0 332.429 3.143 20 30 EGEDRM Cc1[n-][nH]c(=NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)c1C#N ZINC000431454653 267911059 /nfs/dbraw/zinc/91/10/59/267911059.db2.gz AZWYWLTVTJAJJB-KRWDZBQOSA-N -1 0 348.431 3.484 20 30 EGEDRM Cc1cccc(S(=O)(=O)[N-]c2cccc3c2OC(C)(C)C3)c1C#N ZINC000530435422 268056599 /nfs/dbraw/zinc/05/65/99/268056599.db2.gz BWSIBDLWXUKPJE-UHFFFAOYSA-N -1 0 342.420 3.381 20 30 EGEDRM Cc1oc(C#N)cc1C([O-])=C(C#N)c1nc(-c2ccncc2)cs1 ZINC000435779519 268103625 /nfs/dbraw/zinc/10/36/25/268103625.db2.gz RGOXAEICLOTVDF-AWEZNQCLSA-N -1 0 334.360 3.468 20 30 EGEDRM N#Cc1ccc(C(=O)[O-])nc1/C=C/c1ncc(C(F)(F)F)s1 ZINC000432706142 268207362 /nfs/dbraw/zinc/20/73/62/268207362.db2.gz KRIMICNGUIBNEG-ONEGZZNKSA-N -1 0 325.271 3.297 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)NCCc2ccccc2Cl)cc1C#N ZINC000063700614 307355557 /nfs/dbraw/zinc/35/55/57/307355557.db2.gz WXTXXGADVBYAAT-UHFFFAOYSA-N -1 0 347.827 3.007 20 30 EGEDRM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000551946444 315181132 /nfs/dbraw/zinc/18/11/32/315181132.db2.gz LCRBRSIBHDVSQE-UHFFFAOYSA-N -1 0 327.365 3.147 20 30 EGEDRM Cc1sc([N-]S(=O)(=O)c2ccc(C#N)cc2F)nc1C(C)C ZINC000565431735 316323595 /nfs/dbraw/zinc/32/35/95/316323595.db2.gz KTOFDPIFSYXCPN-UHFFFAOYSA-N -1 0 339.417 3.387 20 30 EGEDRM N#Cc1cc(Br)ccc1N1CCC[C@H](CCC(=O)[O-])C1 ZINC000229155781 456126025 /nfs/dbraw/zinc/12/60/25/456126025.db2.gz OVTQYTUTJNMCNP-LLVKDONJSA-N -1 0 337.217 3.402 20 30 EGEDRM N#Cc1cccc(NC(=O)N[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c1 ZINC000582159172 325418180 /nfs/dbraw/zinc/41/81/80/325418180.db2.gz XYPSFWBAONPYCL-AWEZNQCLSA-N -1 0 347.733 3.298 20 30 EGEDRM N#Cc1cc(F)ccc1[N-]S(=O)(=O)c1cccc2cccnc21 ZINC000180735038 455235936 /nfs/dbraw/zinc/23/59/36/455235936.db2.gz IKLYSRDYEJIRCH-UHFFFAOYSA-N -1 0 327.340 3.046 20 30 EGEDRM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)c3ccncc3)c2)c1 ZINC000238200536 455258489 /nfs/dbraw/zinc/25/84/89/455258489.db2.gz HRKPNJYNXRMWAT-UHFFFAOYSA-N -1 0 342.354 3.432 20 30 EGEDRM CCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2F)c(C)c1 ZINC000158075296 455266262 /nfs/dbraw/zinc/26/62/62/455266262.db2.gz QHJJGRUTGZGVEC-UHFFFAOYSA-N -1 0 334.372 3.205 20 30 EGEDRM CCn1cc(/C=C/C(=O)c2ccc(OCCCC(=O)[O-])cc2)cn1 ZINC000264748169 455275171 /nfs/dbraw/zinc/27/51/71/455275171.db2.gz AJWQWOCEVNEIGS-BJMVGYQFSA-N -1 0 328.368 3.043 20 30 EGEDRM CCc1cnc([N-]S(=O)(=O)c2cccc(Cl)c2C#N)s1 ZINC000174020013 455352356 /nfs/dbraw/zinc/35/23/56/455352356.db2.gz IUKSOMMSZAHERQ-UHFFFAOYSA-N -1 0 327.818 3.031 20 30 EGEDRM Cc1ccc(CS(=O)(=O)[N-]c2cc(N(C)C)ccc2C#N)cc1F ZINC000184218276 455363229 /nfs/dbraw/zinc/36/32/29/455363229.db2.gz QRACKMXLINAMTR-UHFFFAOYSA-N -1 0 347.415 3.014 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2cc(-c3ccc(F)cc3)[nH]n2)n1 ZINC000041515482 453969990 /nfs/dbraw/zinc/96/99/90/453969990.db2.gz YFNOYGUYHAHNAF-LBPRGKRZSA-N -1 0 326.356 3.471 20 30 EGEDRM CCC(CC)C(=O)[N-]S(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000058104990 454163645 /nfs/dbraw/zinc/16/36/45/454163645.db2.gz PVFMCOOAZWYWFH-UHFFFAOYSA-N -1 0 329.809 3.069 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)c(F)c2)cc1Cl ZINC000130446907 454197430 /nfs/dbraw/zinc/19/74/30/454197430.db2.gz GBIVBPWDOSDDJJ-UHFFFAOYSA-N -1 0 346.717 3.430 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])c2ccnc(OCC(F)(F)F)c2)n1 ZINC000095404920 454203533 /nfs/dbraw/zinc/20/35/33/454203533.db2.gz WABTXGMTOIUGJU-SNVBAGLBSA-N -1 0 341.314 3.278 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)Cc2cccs2)cc1Cl ZINC000071883895 454241869 /nfs/dbraw/zinc/24/18/69/454241869.db2.gz YNVXZMCWPADLJQ-UHFFFAOYSA-N -1 0 340.813 3.161 20 30 EGEDRM COc1ccc(S(=O)(=O)[N-]C(=O)C=Cc2ccccc2)cc1OC ZINC000096405135 454323196 /nfs/dbraw/zinc/32/31/96/454323196.db2.gz JIIXGRHEEAUAAX-FLIBITNWSA-N -1 0 347.392 3.062 20 30 EGEDRM CCc1c([N-]S(=O)(=O)c2cc(C#N)ccc2C)cnn1CC(C)C ZINC000160379751 455453027 /nfs/dbraw/zinc/45/30/27/455453027.db2.gz UBEPOJWPUITDCF-UHFFFAOYSA-N -1 0 346.456 3.082 20 30 EGEDRM N#CCCSc1ccccc1[N-]S(=O)(=O)c1ccccc1C#N ZINC000108250830 454791009 /nfs/dbraw/zinc/79/10/09/454791009.db2.gz QMJNRZVYVQPYLH-UHFFFAOYSA-N -1 0 343.433 3.365 20 30 EGEDRM CC#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000143826465 454845145 /nfs/dbraw/zinc/84/51/45/454845145.db2.gz PVYRHLYBXKFNPL-IBGZPJMESA-N -1 0 349.386 3.392 20 30 EGEDRM N#Cc1nc(NC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2Cl)[n-]c1C#N ZINC000111561915 454869540 /nfs/dbraw/zinc/86/95/40/454869540.db2.gz NUWQOGKNUWTQSZ-RKDXNWHRSA-N -1 0 346.177 3.202 20 30 EGEDRM N#CC(=C([O-])c1csc([C@H]2CCCO2)n1)c1nc2ccccc2[nH]1 ZINC000165270867 454896621 /nfs/dbraw/zinc/89/66/21/454896621.db2.gz QVKDTVQNMQNPPK-QMTHXVAHSA-N -1 0 338.392 3.361 20 30 EGEDRM CCn1cc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)cn1 ZINC000114619030 454964804 /nfs/dbraw/zinc/96/48/04/454964804.db2.gz KZBHFICNUVFRBZ-OAHLLOKOSA-N -1 0 347.403 3.388 20 30 EGEDRM CSc1cc(C([O-])=C(C#N)C(=O)NC2CCCCC2)ccc1F ZINC000155561559 455016270 /nfs/dbraw/zinc/01/62/70/455016270.db2.gz RPANYFDFZQODOS-ZDUSSCGKSA-N -1 0 334.416 3.319 20 30 EGEDRM CC(C)c1csc(C(C#N)=C([O-])c2ccc(N3CCCC3)nn2)n1 ZINC000155618635 455022694 /nfs/dbraw/zinc/02/26/94/455022694.db2.gz UTCUOQIJQPJWAJ-LBPRGKRZSA-N -1 0 341.440 3.147 20 30 EGEDRM C=C[C@@H](CC(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1)c1ccccc1 ZINC000179262562 455025677 /nfs/dbraw/zinc/02/56/77/455025677.db2.gz IFJOZGNFLUSDFB-ZDUSSCGKSA-N -1 0 335.363 3.328 20 30 EGEDRM COc1ccc(-c2n[nH]cc2C([O-])=C(C#N)c2nc(C)cs2)cc1 ZINC000155669178 455028965 /nfs/dbraw/zinc/02/89/65/455028965.db2.gz VLSLWYPQNXWSNG-CYBMUJFWSA-N -1 0 338.392 3.340 20 30 EGEDRM CC(C)Oc1ccc([C@H](O)C/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000115961578 455036144 /nfs/dbraw/zinc/03/61/44/455036144.db2.gz GFXIYRCHFIBKPA-HRYJJRBTSA-N -1 0 344.367 3.240 20 30 EGEDRM Cc1ccc(-c2ccc(CN3C(=O)CC[C@H]3C(=O)[O-])cc2)cc1C#N ZINC000600964486 460659458 /nfs/dbraw/zinc/65/94/58/460659458.db2.gz BQVWLDDYGDHFNV-SFHVURJKSA-N -1 0 334.375 3.109 20 30 EGEDRM Cn1cnc(-c2ccc(C([O-])=C(C#N)c3nc4ccccc4o3)cc2)n1 ZINC000182872515 455181765 /nfs/dbraw/zinc/18/17/65/455181765.db2.gz CUTWBRNQICGFRE-AWEZNQCLSA-N -1 0 343.346 3.113 20 30 EGEDRM CC(=O)c1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C#N)c1 ZINC000192730678 455680879 /nfs/dbraw/zinc/68/08/79/455680879.db2.gz VBQAUTASQBLHMY-UHFFFAOYSA-N -1 0 334.784 3.215 20 30 EGEDRM Cc1nn2c(nc(C)cc2C)c1C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000193538129 455763487 /nfs/dbraw/zinc/76/34/87/455763487.db2.gz DYNHIJGEVOIIBI-ZDUSSCGKSA-N -1 0 345.362 3.286 20 30 EGEDRM CC(C)(C)[C@@](C)(C#N)[N-]S(=O)(=O)c1c(F)c(F)ccc1Cl ZINC000295370184 455847222 /nfs/dbraw/zinc/84/72/22/455847222.db2.gz SGDIRDRAVMTBOZ-CYBMUJFWSA-N -1 0 336.791 3.225 20 30 EGEDRM C=CCOC[C@H](NC(=O)c1ccccc1SCC=C(C)C)C(=O)[O-] ZINC000262897733 456067195 /nfs/dbraw/zinc/06/71/95/456067195.db2.gz DLVVOHOITKKQEG-HNNXBMFYSA-N -1 0 349.452 3.131 20 30 EGEDRM C=C(C)[C@H](NC(=O)N1CCC(C(=O)[O-])CC1)c1ccc(F)c(F)c1 ZINC000263398758 456142416 /nfs/dbraw/zinc/14/24/16/456142416.db2.gz RTGACWHHXCNFHB-HNNXBMFYSA-N -1 0 338.354 3.088 20 30 EGEDRM Cc1nn(C(C)C)c(C)c1C(=O)/C=C/c1ccc(O)c(C(=O)[O-])c1 ZINC000290003550 456212893 /nfs/dbraw/zinc/21/28/93/456212893.db2.gz VHQHXXDBOYMTMX-SOFGYWHQSA-N -1 0 328.368 3.381 20 30 EGEDRM C=CCCSc1nc([O-])c(CC)c(=O)n1-c1ccccc1OC ZINC000303877950 456491797 /nfs/dbraw/zinc/49/17/97/456491797.db2.gz YFBXSHIIAICFEZ-UHFFFAOYSA-N -1 0 332.425 3.177 20 30 EGEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccccc1OCC1CC1 ZINC000303861461 456492137 /nfs/dbraw/zinc/49/21/37/456492137.db2.gz POXYQIDXAZJLLV-UHFFFAOYSA-N -1 0 342.420 3.456 20 30 EGEDRM Cc1c([N-]S(=O)(=O)c2ccc(C#N)cc2)[nH]nc1-c1ccccc1 ZINC000340517518 456503669 /nfs/dbraw/zinc/50/36/69/456503669.db2.gz RGOGXSDPAGFDPM-UHFFFAOYSA-N -1 0 338.392 3.058 20 30 EGEDRM Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1ncccc1C#N ZINC000337745724 456519520 /nfs/dbraw/zinc/51/95/20/456519520.db2.gz CTAFZOSHNLASAP-UHFFFAOYSA-N -1 0 341.314 3.081 20 30 EGEDRM CCc1ccc(S(=O)(=O)[N-]c2c(C#N)cnn2C2CCCC2)cc1 ZINC000337755001 456525104 /nfs/dbraw/zinc/52/51/04/456525104.db2.gz HJXXVEUVZYQSSA-UHFFFAOYSA-N -1 0 344.440 3.233 20 30 EGEDRM CCCOc1ccc(NS(=O)(=O)c2cc(C#N)ccc2C)cc1 ZINC000320590076 456629656 /nfs/dbraw/zinc/62/96/56/456629656.db2.gz QEDYPRALTGAHCD-UHFFFAOYSA-N -1 0 330.409 3.456 20 30 EGEDRM C=CCCC[C@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)CCC ZINC000343498165 456660775 /nfs/dbraw/zinc/66/07/75/456660775.db2.gz YZTLRNLWZVKFGS-AWEZNQCLSA-N -1 0 338.473 3.313 20 30 EGEDRM CC[C@H](c1n[n-]c(=NC(=O)N(C)C[C@@H](C)C#N)s1)c1ccccc1 ZINC000340763936 456673640 /nfs/dbraw/zinc/67/36/40/456673640.db2.gz QXNDYVCSAAQVKY-JSGCOSHPSA-N -1 0 343.456 3.125 20 30 EGEDRM COc1ccc(/C=C\c2nc(C(=O)[O-])ccc2C#N)c(Cl)c1OC ZINC000340854144 456720966 /nfs/dbraw/zinc/72/09/66/456720966.db2.gz VOKFZJUAEAZMQU-UTCJRWHESA-N -1 0 344.754 3.492 20 30 EGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2sc(CC)nc2C)n1 ZINC000353542192 456745593 /nfs/dbraw/zinc/74/55/93/456745593.db2.gz AYGZFGYFCFMGOG-SECBINFHSA-N -1 0 349.437 3.137 20 30 EGEDRM N#CCCCCS(=O)(=O)[N-][C@H](C1CCCCC1)C(F)(F)F ZINC000343990063 456786849 /nfs/dbraw/zinc/78/68/49/456786849.db2.gz AIWYWDPCQAXMIG-GFCCVEGCSA-N -1 0 326.384 3.111 20 30 EGEDRM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)N[C@@H]1CCC(C)(C)C1 ZINC000329068132 456827266 /nfs/dbraw/zinc/82/72/66/456827266.db2.gz MHRAMDFDVFBDOO-SNVBAGLBSA-N -1 0 334.445 3.321 20 30 EGEDRM Cn1cc(C([O-])=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)nn1 ZINC000344856227 456868503 /nfs/dbraw/zinc/86/85/03/456868503.db2.gz UKDLHYGHHYXSAC-NSHDSACASA-N -1 0 343.799 3.082 20 30 EGEDRM Cc1ncncc1C([O-])=C(C#N)c1nc2ccccc2n1C(F)F ZINC000338954452 456874777 /nfs/dbraw/zinc/87/47/77/456874777.db2.gz ZKTPUVHUHGAILC-JTQLQIEISA-N -1 0 327.294 3.020 20 30 EGEDRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000349493511 456977345 /nfs/dbraw/zinc/97/73/45/456977345.db2.gz PIVXNHBWNGAMIL-CYBMUJFWSA-N -1 0 338.363 3.279 20 30 EGEDRM O=C(Nc1ccccc1O)C1CCN(C(=O)[C@@H]2CCCOCC2)CC1 ZINC000330194242 456999229 /nfs/dbraw/zinc/99/92/29/456999229.db2.gz AXPSNASVYSDZBD-OAHLLOKOSA-N -1 0 346.427 3.036 20 30 EGEDRM N#CCc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(Cl)cc2)cc1 ZINC000345902623 457005909 /nfs/dbraw/zinc/00/59/09/457005909.db2.gz IPLOPVYTSSCMLR-MRXNPFEDSA-N -1 0 342.782 3.352 20 30 EGEDRM CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000330226506 457007649 /nfs/dbraw/zinc/00/76/49/457007649.db2.gz BOYTURPSSJULNW-NEPJUHHUSA-N -1 0 340.493 3.035 20 30 EGEDRM N#CCc1ccc(Oc2ccc(C(=O)N=c3[n-]ncs3)cc2)cc1 ZINC000346785414 457169122 /nfs/dbraw/zinc/16/91/22/457169122.db2.gz RRONLJVKYAAGLG-UHFFFAOYSA-N -1 0 336.376 3.071 20 30 EGEDRM N#CC(=C([O-])c1csc(CCc2ccccc2)n1)c1ccncn1 ZINC000354462172 457239181 /nfs/dbraw/zinc/23/91/81/457239181.db2.gz HITHWFNQUVUTRS-CQSZACIVSA-N -1 0 334.404 3.208 20 30 EGEDRM N#CC(=C([O-])c1c[nH]nc1-c1ccccn1)c1nc2ccccc2o1 ZINC000355061845 457339718 /nfs/dbraw/zinc/33/97/18/457339718.db2.gz QKQQELSQKGTPTN-NSHDSACASA-N -1 0 329.319 3.103 20 30 EGEDRM C=CCOc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2)cc1OC ZINC000347394670 457398158 /nfs/dbraw/zinc/39/81/58/457398158.db2.gz XXRQPDSNIRCFHM-UHFFFAOYSA-N -1 0 327.336 3.211 20 30 EGEDRM CC(=O)c1cc(C([O-])=C(C#N)c2cnc3ccccc3n2)c(C)nc1C ZINC000361539147 457780969 /nfs/dbraw/zinc/78/09/69/457780969.db2.gz FFZRLRDIANVWPM-INIZCTEOSA-N -1 0 344.374 3.334 20 30 EGEDRM C[C@@H](Oc1ccc(/C=C2/COc3c(F)cccc3C2=O)cc1)C(=O)[O-] ZINC000375588295 457980152 /nfs/dbraw/zinc/98/01/52/457980152.db2.gz RGFURALZZDEDQD-NASPGAHYSA-N -1 0 342.322 3.336 20 30 EGEDRM O=C([O-])COc1ccc(/C=C2/COc3c(F)cc(F)cc3C2=O)cc1 ZINC000368777820 458056466 /nfs/dbraw/zinc/05/64/66/458056466.db2.gz XPJTWHWGDDLBJJ-WZUFQYTHSA-N -1 0 346.285 3.087 20 30 EGEDRM COc1nc(C([O-])=C(C#N)c2cc(C)nc(C)n2)cc2ccccc21 ZINC000358649100 458127328 /nfs/dbraw/zinc/12/73/28/458127328.db2.gz KAYUNXCUDJNGSM-HNNXBMFYSA-N -1 0 332.363 3.140 20 30 EGEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccccc1OCCc1ccccc1 ZINC000416938763 458357177 /nfs/dbraw/zinc/35/71/77/458357177.db2.gz FZBKTUKKUMPPJW-INIZCTEOSA-N -1 0 344.436 3.352 20 30 EGEDRM C[C@H]1C[C@@]1(C#N)C(=O)Nc1cc(Cl)cc(Br)c1[O-] ZINC000450049107 458438662 /nfs/dbraw/zinc/43/86/62/458438662.db2.gz YCBDPTRROMCQKE-QTTZVWFDSA-N -1 0 329.581 3.296 20 30 EGEDRM Cc1csc(S(=O)(=O)[N-]c2cc(C)c(N(C)C)cc2C#N)c1 ZINC000451022787 458462970 /nfs/dbraw/zinc/46/29/70/458462970.db2.gz CIRKSXIRCSVIKD-UHFFFAOYSA-N -1 0 335.454 3.103 20 30 EGEDRM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1cccc(CC#N)c1 ZINC000451118670 458466180 /nfs/dbraw/zinc/46/61/80/458466180.db2.gz YCIGJRSVDXDUMM-UHFFFAOYSA-N -1 0 346.456 3.023 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)/C=C\c2cccc(OC(C)C)c2)CC1 ZINC000493679570 458532997 /nfs/dbraw/zinc/53/29/97/458532997.db2.gz IFSFIGRSLATLPS-HJWRWDBZSA-N -1 0 349.452 3.042 20 30 EGEDRM Cc1ccc(F)cc1-c1n[n-]c(=NC(=O)N(C)CC(C)(C)C#N)s1 ZINC000455360537 458595152 /nfs/dbraw/zinc/59/51/52/458595152.db2.gz PKILGTUQVKOGOT-UHFFFAOYSA-N -1 0 347.419 3.088 20 30 EGEDRM C=CCN(CCc1ccccc1)C(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC000424425524 458639626 /nfs/dbraw/zinc/63/96/26/458639626.db2.gz QXKAKAKKIUODLY-KRWDZBQOSA-N -1 0 332.444 3.174 20 30 EGEDRM CC(C)C[C@@H](CNC(=O)Nc1ccc(C(C)(C)C#N)cc1)C(=O)[O-] ZINC000424466538 458647756 /nfs/dbraw/zinc/64/77/56/458647756.db2.gz GSQBCXSVVNPQPU-ZDUSSCGKSA-N -1 0 331.416 3.356 20 30 EGEDRM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C)ccc1F ZINC000439619550 458730360 /nfs/dbraw/zinc/73/03/60/458730360.db2.gz GUXMPABIUXLXJS-UHFFFAOYSA-N -1 0 333.388 3.238 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)NCc2ccc([C@H]3C[C@H]3C)o2)cc1C#N ZINC000515965805 458814450 /nfs/dbraw/zinc/81/44/50/458814450.db2.gz QVHSOZSKVDYKAE-SKDRFNHKSA-N -1 0 343.408 3.027 20 30 EGEDRM Cc1cc(C(C#N)=C([O-])c2ccn(CCc3ccccc3)n2)nc(C)n1 ZINC000517689961 458831221 /nfs/dbraw/zinc/83/12/21/458831221.db2.gz CFGOLBQCLPCVMA-QGZVFWFLSA-N -1 0 345.406 3.023 20 30 EGEDRM C=CCn1c(CC2CCCCC2)n[n-]c1=Nc1c(C)nn(C)c1C ZINC000518009754 458835006 /nfs/dbraw/zinc/83/50/06/458835006.db2.gz BLEBZGYQVVEAJC-UHFFFAOYSA-N -1 0 328.464 3.103 20 30 EGEDRM C=CCOc1ccc(C(=O)N=c2ccc(-c3ccccc3)n[n-]2)cc1 ZINC000466633270 458910342 /nfs/dbraw/zinc/91/03/42/458910342.db2.gz MPUQIMYBHIOHHU-UHFFFAOYSA-N -1 0 331.375 3.383 20 30 EGEDRM N#C[C@H]1CC[C@H](Sc2n[n-]c(=NCCc3ccccc3)s2)C1 ZINC000556235231 458940371 /nfs/dbraw/zinc/94/03/71/458940371.db2.gz YNYWVMIPTBNYGY-KBPBESRZSA-N -1 0 330.482 3.399 20 30 EGEDRM CCOc1ccc(-c2cccc(OCC(=O)[O-])c2C#N)cc1OCC ZINC000566493922 458948531 /nfs/dbraw/zinc/94/85/31/458948531.db2.gz DYKUKMPWHITHJF-UHFFFAOYSA-N -1 0 341.363 3.486 20 30 EGEDRM C=CCC[C@H](NC(=O)NCc1ccc(F)cc1C(F)(F)F)C(=O)[O-] ZINC000556708568 458993713 /nfs/dbraw/zinc/99/37/13/458993713.db2.gz JNTNEYXGIXYNPP-LBPRGKRZSA-N -1 0 348.296 3.063 20 30 EGEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc2ccoc2c1 ZINC000442823697 459043596 /nfs/dbraw/zinc/04/35/96/459043596.db2.gz DRNXWYYTDRUWOW-UHFFFAOYSA-N -1 0 328.349 3.114 20 30 EGEDRM Cn1ccc2c1cccc2[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000532318227 459065321 /nfs/dbraw/zinc/06/53/21/459065321.db2.gz VIPVPBLFDQATNM-UHFFFAOYSA-N -1 0 347.346 3.129 20 30 EGEDRM CC(C)(C)C[C@H]([N-]S(=O)(=O)CCC(C)(C)C#N)C(F)(F)F ZINC000567313340 459084038 /nfs/dbraw/zinc/08/40/38/459084038.db2.gz YKRLMHMJJMXSJN-JTQLQIEISA-N -1 0 328.400 3.213 20 30 EGEDRM C[C@H]1CCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)C[C@@H]1C(=O)[O-] ZINC000577953282 459122023 /nfs/dbraw/zinc/12/20/23/459122023.db2.gz YSMWTJAZUYDQHT-WFASDCNBSA-N -1 0 329.400 3.062 20 30 EGEDRM C=CCC[C@H](NC(=O)N[C@@H](C)c1ccc(OC(F)F)cc1)C(=O)[O-] ZINC000578116979 459148805 /nfs/dbraw/zinc/14/88/05/459148805.db2.gz DRZMJQIMBFQNBY-GWCFXTLKSA-N -1 0 342.342 3.068 20 30 EGEDRM CN(Cc1nc(=O)c2sccc2[n-]1)c1nc(C#N)c(Cl)s1 ZINC000590573455 459152336 /nfs/dbraw/zinc/15/23/36/459152336.db2.gz XEOIIKHAYZOPDZ-UHFFFAOYSA-N -1 0 337.817 3.015 20 30 EGEDRM N#Cc1ccc(CCSc2n[n-]c(=NCC(F)(F)F)s2)cc1 ZINC000594887498 459166833 /nfs/dbraw/zinc/16/68/33/459166833.db2.gz MBPGCEARDGLDDM-UHFFFAOYSA-N -1 0 344.387 3.141 20 30 EGEDRM CC1(C)CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@H]1C#N ZINC000567955279 459198108 /nfs/dbraw/zinc/19/81/08/459198108.db2.gz ZJBCAMMGKOBVBP-LBPRGKRZSA-N -1 0 337.763 3.108 20 30 EGEDRM C=C[C@@H](CC(=O)NCCOc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000579071161 459242492 /nfs/dbraw/zinc/24/24/92/459242492.db2.gz OFEWTRQAPYFSJV-HNNXBMFYSA-N -1 0 339.391 3.240 20 30 EGEDRM C[C@@](NC(=O)c1ccc(C#Cc2ccccc2)cc1)(C(=O)[O-])C1CC1 ZINC000540705013 459383436 /nfs/dbraw/zinc/38/34/36/459383436.db2.gz WCGZTPUDMFLVNM-NRFANRHFSA-N -1 0 333.387 3.070 20 30 EGEDRM COc1ccc2ncc(C#N)c(N3CCC[C@H](CCC(=O)[O-])C3)c2c1 ZINC000595972900 459490172 /nfs/dbraw/zinc/49/01/72/459490172.db2.gz AVCQIJFUJCMIQG-CYBMUJFWSA-N -1 0 339.395 3.196 20 30 EGEDRM C=CC[C@H](CC)NC(=O)N[C@@H](C(=O)[O-])c1ccc(OC)c(Cl)c1 ZINC000583188502 459497632 /nfs/dbraw/zinc/49/76/32/459497632.db2.gz MTAYPZMAMQDEPF-SMDDNHRTSA-N -1 0 340.807 3.128 20 30 EGEDRM C#C[C@H](N=c1nc([C@@H](C)OC)[n-]s1)c1ccc(Cl)cc1F ZINC000491124967 459599083 /nfs/dbraw/zinc/59/90/83/459599083.db2.gz ACGDJPJLGPBFFW-PELKAZGASA-N -1 0 325.796 3.246 20 30 EGEDRM C#C[C@H](NC(=O)c1cc([O-])ccc1[N+](=O)[O-])c1ccc(Cl)cc1F ZINC000491125821 459599493 /nfs/dbraw/zinc/59/94/93/459599493.db2.gz HNFRQWQVEBNQQP-AWEZNQCLSA-N -1 0 348.717 3.197 20 30 EGEDRM C=CC(C)(C)CNC(=O)N=c1[n-]nc(Cc2ccc(F)cc2)s1 ZINC000584155544 459667313 /nfs/dbraw/zinc/66/73/13/459667313.db2.gz YEARQHPWQGGFAY-UHFFFAOYSA-N -1 0 334.420 3.024 20 30 EGEDRM Cc1oc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)nc1C1CC1 ZINC000584821126 459807551 /nfs/dbraw/zinc/80/75/51/459807551.db2.gz XCQKPNJUAPDEAV-UHFFFAOYSA-N -1 0 337.788 3.186 20 30 EGEDRM CCC(C#N)(CC)C(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1F ZINC000529027767 459820907 /nfs/dbraw/zinc/82/09/07/459820907.db2.gz DCILROXRDCWWGN-UHFFFAOYSA-N -1 0 348.399 3.114 20 30 EGEDRM N#CCc1cccc(C(=O)N2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])c1 ZINC000598660701 459982336 /nfs/dbraw/zinc/98/23/36/459982336.db2.gz DGKQPLDSOGPKSY-QZTJIDSGSA-N -1 0 340.423 3.248 20 30 EGEDRM CCOC(=O)c1sc([N-]C(=O)c2cc(C(C)C)no2)c(C#N)c1C ZINC000609604547 459993231 /nfs/dbraw/zinc/99/32/31/459993231.db2.gz RVSRMTSDXNNNBK-UHFFFAOYSA-N -1 0 347.396 3.469 20 30 EGEDRM COc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2F)cc1Cl ZINC000610056493 460055946 /nfs/dbraw/zinc/05/59/46/460055946.db2.gz URDKYLWNTKKUOU-UHFFFAOYSA-N -1 0 340.763 3.160 20 30 EGEDRM CC(C)c1ccc([C@@](C)(CC(=O)[O-])C(=O)NCC2(CC#N)CC2)cc1 ZINC000601982006 460969637 /nfs/dbraw/zinc/96/96/37/460969637.db2.gz IOIIADIZEHRNFF-LJQANCHMSA-N -1 0 342.439 3.352 20 30 EGEDRM N#CCc1cccc(NC(=O)C[C@@]2(C(=O)[O-])CCCc3ccccc32)c1 ZINC000601988478 460974078 /nfs/dbraw/zinc/97/40/78/460974078.db2.gz DYEFJCJYNWHHSG-NRFANRHFSA-N -1 0 348.402 3.440 20 30 EGEDRM C=CCC[C@@H](NC(=O)C1(c2cc(F)cc(F)c2)CCCC1)C(=O)[O-] ZINC000630183255 461053329 /nfs/dbraw/zinc/05/33/29/461053329.db2.gz VCXHWHCKJKCVKO-OAHLLOKOSA-N -1 0 337.366 3.312 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)CCc1c(Cl)cccc1Cl)C(=O)[O-] ZINC000630322808 461094994 /nfs/dbraw/zinc/09/49/94/461094994.db2.gz WKIVPSICQUAUNU-CYBMUJFWSA-N -1 0 330.211 3.462 20 30 EGEDRM C=C(C)C[C@@H](NC(=O)c1sc2ccc(OC)cc2c1C)C(=O)[O-] ZINC000630325105 461095408 /nfs/dbraw/zinc/09/54/08/461095408.db2.gz HTHQPFTYDAAMJD-CYBMUJFWSA-N -1 0 333.409 3.368 20 30 EGEDRM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC000659229615 461235468 /nfs/dbraw/zinc/23/54/68/461235468.db2.gz TZBZIWBXJOBFJF-IYBDPMFKSA-N -1 0 329.396 3.090 20 30 EGEDRM C=CCCn1cc(CN[C@H](CC(=O)[O-])c2ccc(C(C)C)cc2)nn1 ZINC000656574476 461794758 /nfs/dbraw/zinc/79/47/58/461794758.db2.gz WMNBXQOFGKLROT-GOSISDBHSA-N -1 0 342.443 3.283 20 30 EGEDRM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]c1ncc(C#N)s1 ZINC000610753052 469063004 /nfs/dbraw/zinc/06/30/04/469063004.db2.gz TUZPCEBXOVPXQO-UHFFFAOYSA-N -1 0 337.357 3.009 20 30 EGEDRM C=CCCS(=O)(=O)[N-]c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000187847674 527420997 /nfs/dbraw/zinc/42/09/97/527420997.db2.gz TTXVJDLCGCAAPV-LBPRGKRZSA-N -1 0 345.848 3.073 20 30 EGEDRM O=C([O-])C1CCC(NC(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 ZINC000678981532 549608892 /nfs/dbraw/zinc/60/88/92/549608892.db2.gz NBIBIOWMJQVEDW-UHFFFAOYSA-N -1 0 347.414 3.460 20 30 EGEDRM CCCCCC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000727951703 574705919 /nfs/dbraw/zinc/70/59/19/574705919.db2.gz YSDYGAHBILHWAI-CQSZACIVSA-N -1 0 336.457 3.360 20 30 EGEDRM Cc1c(NN=Cc2cccc(O[C@H](C)C(=O)[O-])c2)cccc1[N+](=O)[O-] ZINC000727973035 574707878 /nfs/dbraw/zinc/70/78/78/574707878.db2.gz AKZPZWOZWOPCOS-GFCCVEGCSA-N -1 0 343.339 3.201 20 30 EGEDRM Cn1c(Cl)nc(Cl)c1/C=C/C(=O)c1ccc(CC(=O)[O-])cc1 ZINC000728440937 574749299 /nfs/dbraw/zinc/74/92/99/574749299.db2.gz YJSVRVSMALHXFF-VOTSOKGWSA-N -1 0 339.178 3.250 20 30 EGEDRM CC(=NNCCCOc1ccccc1)c1ccc(CC(=O)[O-])cc1 ZINC000729147968 574818701 /nfs/dbraw/zinc/81/87/01/574818701.db2.gz PHMSKXNGZNLRRA-UHFFFAOYSA-N -1 0 326.396 3.096 20 30 EGEDRM COC(=O)c1ccc2[nH]cc(C=NNc3ccc(C(=O)[O-])cc3)c2c1 ZINC000731922326 575220355 /nfs/dbraw/zinc/22/03/55/575220355.db2.gz CTNIYMCEMCVKSE-UHFFFAOYSA-N -1 0 337.335 3.099 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@@H](C)CC2CCCC2)n1 ZINC000734052986 575431111 /nfs/dbraw/zinc/43/11/11/575431111.db2.gz BCCXXUYZDSWZRU-FZMZJTMJSA-N -1 0 334.441 3.387 20 30 EGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)c1cnn2ccccc12 ZINC000735203107 575621136 /nfs/dbraw/zinc/62/11/36/575621136.db2.gz AIBHMHCRJFPILB-CQSZACIVSA-N -1 0 342.358 3.329 20 30 EGEDRM C=CCN(CC1CCCCC1)S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000736108274 575896930 /nfs/dbraw/zinc/89/69/30/575896930.db2.gz ROZAPXYCHVMDTB-UHFFFAOYSA-N -1 0 343.470 3.203 20 30 EGEDRM C=CCN(Cc1cccs1)C(=O)[C@H](C)SC[C@H](C)C(=O)[O-] ZINC000736108463 575897050 /nfs/dbraw/zinc/89/70/50/575897050.db2.gz HHHJVNUVADSNDL-RYUDHWBXSA-N -1 0 327.471 3.105 20 30 EGEDRM CC(C)[C@@H](OC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)C(=O)[O-] ZINC000736392000 575948984 /nfs/dbraw/zinc/94/89/84/575948984.db2.gz WFWSVPUUDOGINE-MRXNPFEDSA-N -1 0 340.335 3.012 20 30 EGEDRM CC[C@@](NC(=O)/C=C/c1ccccc1C#N)(C(=O)[O-])c1ccccc1 ZINC000736908347 576057138 /nfs/dbraw/zinc/05/71/38/576057138.db2.gz WPGZYZJGXIYRBM-SJFMBGHLSA-N -1 0 334.375 3.078 20 30 EGEDRM CN(CCC#N)c1ccc(CNc2ccc(CNC(=O)[O-])cc2)cc1 ZINC000737412919 576223487 /nfs/dbraw/zinc/22/34/87/576223487.db2.gz YWHJKMJHWZWIJO-UHFFFAOYSA-N -1 0 338.411 3.416 20 30 EGEDRM CN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000737487229 576237427 /nfs/dbraw/zinc/23/74/27/576237427.db2.gz LYRVNKJLQSXQKI-UHFFFAOYSA-N -1 0 342.330 3.451 20 30 EGEDRM Cc1cc(C(=O)N(CC#N)CC(=O)[O-])sc1-c1cccc(Cl)c1 ZINC000738319453 576313381 /nfs/dbraw/zinc/31/33/81/576313381.db2.gz KTWFCQYFGJWSKX-UHFFFAOYSA-N -1 0 348.811 3.427 20 30 EGEDRM Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)SC[C@H](C)C(=O)[O-])c1 ZINC000738363301 576317943 /nfs/dbraw/zinc/31/79/43/576317943.db2.gz DRQMFJMLPWENAV-GJZGRUSLSA-N -1 0 348.468 3.393 20 30 EGEDRM N#CCn1c(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2)cc2ccccc21 ZINC000738424929 576323887 /nfs/dbraw/zinc/32/38/87/576323887.db2.gz HNHDIJSPMFFFRO-INIZCTEOSA-N -1 0 347.374 3.111 20 30 EGEDRM Cc1cc(NC(=O)CSc2ccc(C#N)cc2)sc1C(=O)[O-] ZINC000738432146 576325444 /nfs/dbraw/zinc/32/54/44/576325444.db2.gz XSJUGNRBXLGQIU-UHFFFAOYSA-N -1 0 332.406 3.357 20 30 EGEDRM N#Cc1ccc(CN(C(=O)Nc2ccc(C(=O)[O-])cc2)C2CC2)cc1 ZINC000738432653 576325522 /nfs/dbraw/zinc/32/55/22/576325522.db2.gz NDXPQHNDXVAFFR-UHFFFAOYSA-N -1 0 335.363 3.453 20 30 EGEDRM N#Cc1ccc(SCC(=O)Nc2ccccc2C(=O)[O-])c(F)c1 ZINC000738435426 576325792 /nfs/dbraw/zinc/32/57/92/576325792.db2.gz WXQDNDSVZPOSOW-UHFFFAOYSA-N -1 0 330.340 3.126 20 30 EGEDRM N#C[C@H](NC(=O)c1cccc(C(=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000739074961 576376916 /nfs/dbraw/zinc/37/69/16/576376916.db2.gz OCAXEKDWPDMJRA-AWEZNQCLSA-N -1 0 348.280 3.398 20 30 EGEDRM N#CCOc1ccc(Cl)cc1CN1Cc2ccc(C(=O)[O-])cc2C1 ZINC000739086716 576377370 /nfs/dbraw/zinc/37/73/70/576377370.db2.gz BUVZBDRKFFWVAL-UHFFFAOYSA-N -1 0 342.782 3.456 20 30 EGEDRM N#CCn1c(C(=O)Nc2ccc(F)cc2C(=O)[O-])cc2ccccc21 ZINC000739092075 576377658 /nfs/dbraw/zinc/37/76/58/576377658.db2.gz PCPPVLAJQUGJSO-UHFFFAOYSA-N -1 0 337.310 3.254 20 30 EGEDRM N#Cc1cc([N+](=O)[O-])ccc1NCCc1ccc(NC(=O)[O-])cc1 ZINC000739099352 576377813 /nfs/dbraw/zinc/37/78/13/576377813.db2.gz VKZLTGKVEUXTDJ-UHFFFAOYSA-N -1 0 326.312 3.211 20 30 EGEDRM N#Cc1ccc([C@@H](OC(=O)c2ccccc2OC(F)F)C(=O)[O-])cc1 ZINC000739118261 576378955 /nfs/dbraw/zinc/37/89/55/576378955.db2.gz PXKRSZILNJNSJF-CQSZACIVSA-N -1 0 347.273 3.142 20 30 EGEDRM N#Cc1ccc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2O)c(F)c1 ZINC000739119250 576378989 /nfs/dbraw/zinc/37/89/89/576378989.db2.gz WZEUSRJGWAVBPO-UHFFFAOYSA-N -1 0 348.761 3.143 20 30 EGEDRM N#Cc1cccnc1NC[C@@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000739141926 576379511 /nfs/dbraw/zinc/37/95/11/576379511.db2.gz DVVJSSQXJUZFTC-QGZVFWFLSA-N -1 0 331.375 3.462 20 30 EGEDRM O=C([O-])C1CCC(/N=C/c2cc(Br)ccc2O)CC1 ZINC000739560943 576429298 /nfs/dbraw/zinc/42/92/98/576429298.db2.gz SHXPGYVQGLCVQD-LZYBPNLTSA-N -1 0 326.190 3.217 20 30 EGEDRM O=C([O-])c1ccc2[nH]cc(CN=Nc3nncc4ccccc43)c2c1 ZINC000740188558 576562225 /nfs/dbraw/zinc/56/22/25/576562225.db2.gz BTNMGKUVXPXDSS-UHFFFAOYSA-N -1 0 331.335 3.255 20 30 EGEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N\CCN2Cc3ccccc3C2)c1[O-] ZINC000743538221 576811418 /nfs/dbraw/zinc/81/14/18/576811418.db2.gz JRTIWMYZIUCURP-OCKHKDLRSA-N -1 0 345.786 3.389 20 30 EGEDRM C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000817681095 597339787 /nfs/dbraw/zinc/33/97/87/597339787.db2.gz RDHOSGYAGTZCCM-UHFFFAOYSA-N -1 0 349.390 3.405 20 30 EGEDRM C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H]1C(=O)[O-] ZINC000820071591 598206837 /nfs/dbraw/zinc/20/68/37/598206837.db2.gz BJTNBJRGQNBLDF-AAEUAGOBSA-N -1 0 333.413 3.162 20 30 EGEDRM CC(=O)N1Cc2ccccc2C(=O)/C(=C/c2cccc(C(=O)[O-])c2)C1 ZINC000774130732 598208342 /nfs/dbraw/zinc/20/83/42/598208342.db2.gz OICFRUOVZXGFNQ-LICLKQGHSA-N -1 0 335.359 3.013 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000819856179 598221354 /nfs/dbraw/zinc/22/13/54/598221354.db2.gz HLJFNDFAMSLOTJ-IBGZPJMESA-N -1 0 338.363 3.209 20 30 EGEDRM Cc1ccc(-c2csc(NC(=O)[C@](C)(C#N)CC(=O)[O-])n2)c(C)c1 ZINC000821051934 598222484 /nfs/dbraw/zinc/22/24/84/598222484.db2.gz DKNFZDTYUDVMBR-KRWDZBQOSA-N -1 0 343.408 3.370 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1cccc(C2SCCS2)c1 ZINC000819857414 598222551 /nfs/dbraw/zinc/22/25/51/598222551.db2.gz XDSFYHMHWGOQCZ-OAHLLOKOSA-N -1 0 336.438 3.108 20 30 EGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000819856951 598228628 /nfs/dbraw/zinc/22/86/28/598228628.db2.gz PSPHAPBEFJEKPA-KRWDZBQOSA-N -1 0 334.347 3.090 20 30 EGEDRM N#Cc1ccc([C@@H](OC(=O)c2cnc3ccsc3c2)C(=O)[O-])cc1 ZINC000833071383 600708718 /nfs/dbraw/zinc/70/87/18/600708718.db2.gz FHWLIVZORKDJRE-OAHLLOKOSA-N -1 0 338.344 3.151 20 30 EGEDRM C#CCOc1cc(F)ccc1NC(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000825626024 601040454 /nfs/dbraw/zinc/04/04/54/601040454.db2.gz SNUPRDJHCUEPJV-UHFFFAOYSA-N -1 0 342.326 3.488 20 30 EGEDRM Cc1cc(NC(=O)NCc2cc(C#N)ccc2F)ccc1C(=O)[O-] ZINC000832894858 601040526 /nfs/dbraw/zinc/04/05/26/601040526.db2.gz LBCZVLDIRBPKOD-UHFFFAOYSA-N -1 0 327.315 3.026 20 30 EGEDRM N#Cc1ccc(C(=O)N2C[C@@H](C3CCCCC3)C[C@H]2C(=O)[O-])cc1 ZINC000833070427 601085425 /nfs/dbraw/zinc/08/54/25/601085425.db2.gz FZKYNJMJBWKQNN-IRXDYDNUSA-N -1 0 326.396 3.054 20 30 EGEDRM O=C([O-])[C@@H]1CCN(C(=O)Nc2ccccc2C#Cc2ccccc2)C1 ZINC000833191633 601147407 /nfs/dbraw/zinc/14/74/07/601147407.db2.gz GIJXZNUYCIZEGJ-QGZVFWFLSA-N -1 0 334.375 3.025 20 30 EGEDRM C[C@@H](ON=Cc1ccc(C(=O)[O-])cc1)C(=O)Nc1ccc(F)c(F)c1 ZINC000827879942 601220291 /nfs/dbraw/zinc/22/02/91/601220291.db2.gz WLTVBVVOKMMBGW-SNVBAGLBSA-N -1 0 348.305 3.041 20 30 EGEDRM CC(C)C(=O)Nc1cccc(N[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000826658336 601299060 /nfs/dbraw/zinc/29/90/60/601299060.db2.gz MZIMAHQIDMKESO-QGZVFWFLSA-N -1 0 337.379 3.391 20 30 EGEDRM Cc1ccc(-c2nc(CN[C@H](C(=O)[O-])c3cccc(C#N)c3)co2)cc1 ZINC000832908167 601307261 /nfs/dbraw/zinc/30/72/61/601307261.db2.gz GTQZHGCTTOWDSF-SFHVURJKSA-N -1 0 347.374 3.437 20 30 EGEDRM N#Cc1cccc([C@H](OC(=O)c2ccc(-c3cnco3)cc2)C(=O)[O-])c1 ZINC000833077466 601350517 /nfs/dbraw/zinc/35/05/17/601350517.db2.gz UAYYPJSAZNGZIU-KRWDZBQOSA-N -1 0 348.314 3.196 20 30 EGEDRM CS[C@@H](C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1ccccc1 ZINC000832735926 601353753 /nfs/dbraw/zinc/35/37/53/601353753.db2.gz MUJBRXVZXWTEBR-HZPDHXFCSA-N -1 0 341.388 3.331 20 30 EGEDRM Cc1cc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)c(F)cc1F ZINC000832868587 601355748 /nfs/dbraw/zinc/35/57/48/601355748.db2.gz PLKORUIGBOOBOI-OAHLLOKOSA-N -1 0 331.274 3.128 20 30 EGEDRM C=CCSCCNC(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000825702080 601414240 /nfs/dbraw/zinc/41/42/40/601414240.db2.gz CCOIUBLTUQTDDY-ZDUSSCGKSA-N -1 0 342.848 3.074 20 30 EGEDRM Cc1c(C(=O)[O-])c2cc(OC(=O)c3cccc(C#N)c3)ccc2n1C ZINC000832851834 601449921 /nfs/dbraw/zinc/44/99/21/601449921.db2.gz IFRPFDJNCAMYEU-UHFFFAOYSA-N -1 0 334.331 3.276 20 30 EGEDRM N#Cc1cccc([C@H](OC(=O)[C@@H]2C[C@@H]2Cc2ccccc2)C(=O)[O-])c1 ZINC000833075540 601604732 /nfs/dbraw/zinc/60/47/32/601604732.db2.gz LPMVCYOPKDOKIY-KSZLIROESA-N -1 0 335.359 3.106 20 30 EGEDRM N#Cc1cccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)c1 ZINC000833073872 601621788 /nfs/dbraw/zinc/62/17/88/601621788.db2.gz JHZZDHSUILBJSY-HNNXBMFYSA-N -1 0 328.755 3.157 20 30 EGEDRM CN(C(=O)[O-])c1ccc(NC(=O)c2c(F)cc(C#N)cc2F)cc1 ZINC000830514740 601671240 /nfs/dbraw/zinc/67/12/40/601671240.db2.gz WKBZQJQFAWZQFY-UHFFFAOYSA-N -1 0 331.278 3.203 20 30 EGEDRM CC[C@@H](C(=O)[O-])N(C(=O)c1c(F)cc(C#N)cc1F)c1ccccc1 ZINC000828595054 601677532 /nfs/dbraw/zinc/67/75/32/601677532.db2.gz PUJQFGJHLLPNNS-HNNXBMFYSA-N -1 0 344.317 3.346 20 30 EGEDRM C=C(C)COc1cccc(NC(=O)NCC2(C(=O)[O-])CCCC2)c1 ZINC000825647270 601707562 /nfs/dbraw/zinc/70/75/62/601707562.db2.gz IKOIEZIAOKPUQO-UHFFFAOYSA-N -1 0 332.400 3.408 20 30 EGEDRM CC[C@@H](NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)C(=O)[O-] ZINC000828976426 601754449 /nfs/dbraw/zinc/75/44/49/601754449.db2.gz POEYPALHOGVUIS-OAHLLOKOSA-N -1 0 342.326 3.083 20 30 EGEDRM CCCC(C#N)(CCC)NC(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC000829183778 601881056 /nfs/dbraw/zinc/88/10/56/601881056.db2.gz ADPRAEUFNNCIAT-UHFFFAOYSA-N -1 0 346.427 3.359 20 30 EGEDRM Cc1ccc(C#N)cc1NC(=O)N[C@H]1CCCCCC[C@H]1C(=O)[O-] ZINC000832910599 602036185 /nfs/dbraw/zinc/03/61/85/602036185.db2.gz UVDIVQOQIDANDN-CABCVRRESA-N -1 0 329.400 3.412 20 30 EGEDRM C[C@H](Oc1ccc(/C=C2\Oc3ccc(F)cc3C2=O)cc1)C(=O)[O-] ZINC000794707134 602110666 /nfs/dbraw/zinc/11/06/66/602110666.db2.gz KJKQVNDKTKNYDR-SYEOYNTFSA-N -1 0 328.295 3.294 20 30 EGEDRM C[C@H](Oc1ccc(/C=C2/CCc3c(O)cccc3C2=O)cc1)C(=O)[O-] ZINC000794702663 602112381 /nfs/dbraw/zinc/11/23/81/602112381.db2.gz QZSCZGOEXSFYDB-PBBNAPBQSA-N -1 0 338.359 3.457 20 30 EGEDRM N#Cc1cccc(-c2nnc(CNc3ccc(C(=O)[O-])c(F)c3)o2)c1 ZINC000833073924 602302691 /nfs/dbraw/zinc/30/26/91/602302691.db2.gz KIJJZQWFYJQQGH-UHFFFAOYSA-N -1 0 338.298 3.058 20 30 EGEDRM Cc1cc(COc2ccc(Br)cc2C#N)oc1C(=O)[O-] ZINC000161756312 602306864 /nfs/dbraw/zinc/30/68/64/602306864.db2.gz HOTYXZVMTRGNHU-UHFFFAOYSA-N -1 0 336.141 3.499 20 30 EGEDRM C=CCOc1ccccc1CNC(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000825702656 602384405 /nfs/dbraw/zinc/38/44/05/602384405.db2.gz SAPDYMLNTICNGI-UHFFFAOYSA-N -1 0 344.342 3.410 20 30 EGEDRM CC[C@H](C#N)Oc1cccc(CNc2ccc(C(=O)[O-])c(C)n2)c1 ZINC000833635823 604461606 /nfs/dbraw/zinc/46/16/06/604461606.db2.gz ATZBXHUOEUVGKY-CQSZACIVSA-N -1 0 325.368 3.381 20 30 EGEDRM N#Cc1ccccc1-c1ccccc1C(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC000833075659 604585248 /nfs/dbraw/zinc/58/52/48/604585248.db2.gz UZKAIOTYTYGTIS-OAHLLOKOSA-N -1 0 334.375 3.305 20 30 EGEDRM N#Cc1ccccc1-c1ccccc1C(=O)N1CCC[C@H]1CC(=O)[O-] ZINC000833075652 604585437 /nfs/dbraw/zinc/58/54/37/604585437.db2.gz UZKAIOTYTYGTIS-HNNXBMFYSA-N -1 0 334.375 3.305 20 30 EGEDRM C[C@@H]1CN(Cc2cccc(C(=O)[O-])c2C#N)C[C@H](c2ccccc2)O1 ZINC000833631057 604605117 /nfs/dbraw/zinc/60/51/17/604605117.db2.gz ZOJMEKQINKLINO-AUUYWEPGSA-N -1 0 336.391 3.218 20 30 EGEDRM C[C@H](OC(=O)C(C)(C)Oc1ccc(C#N)cc1)c1ccc(C(=O)[O-])o1 ZINC000827809979 604616329 /nfs/dbraw/zinc/61/63/29/604616329.db2.gz KBIIWZIXTCOHNN-NSHDSACASA-N -1 0 343.335 3.311 20 30 EGEDRM O=C([O-])c1ccc(C(=O)/C=C\c2ccc(-n3cncn3)c(F)c2)cc1 ZINC000833310040 604627886 /nfs/dbraw/zinc/62/78/86/604627886.db2.gz LSAOZUSOIHJGEL-WAPJZHGLSA-N -1 0 337.310 3.001 20 30 EGEDRM CC(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(C(=O)[O-])cc1 ZINC000825809474 604633081 /nfs/dbraw/zinc/63/30/81/604633081.db2.gz WXUSBDILUBEZHR-UHFFFAOYSA-N -1 0 344.283 3.037 20 30 EGEDRM CC(=NNc1cncc(Br)c1)c1ccc(C(=O)[O-])cc1 ZINC000833386930 604667784 /nfs/dbraw/zinc/66/77/84/604667784.db2.gz CQLPVRVGWVLFGB-UHFFFAOYSA-N -1 0 334.173 3.378 20 30 EGEDRM N#CCCCOc1cccc(NC(=O)Cc2ccccc2C(=O)[O-])c1 ZINC000392784882 604782696 /nfs/dbraw/zinc/78/26/96/604782696.db2.gz UGHIEJJRDDFMMC-UHFFFAOYSA-N -1 0 338.363 3.249 20 30 EGEDRM N#Cc1c(Cl)nsc1NC[C@@H](Cc1cccc(F)c1)C(=O)[O-] ZINC000833760874 604829286 /nfs/dbraw/zinc/82/92/86/604829286.db2.gz HIIHVTQGQYVRSL-SECBINFHSA-N -1 0 339.779 3.163 20 30 EGEDRM C=CCN(C(=O)Nc1cc(C(=O)[O-])ccc1-n1cc(C)cn1)C1CC1 ZINC000833374988 604974245 /nfs/dbraw/zinc/97/42/45/604974245.db2.gz QEFTZAJVMKSNHY-UHFFFAOYSA-N -1 0 340.383 3.061 20 30 EGEDRM C=CC[C@@H](NC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1)c1ccncc1 ZINC000833371254 604984107 /nfs/dbraw/zinc/98/41/07/604984107.db2.gz RFAGRXLVTARVCN-JKSUJKDBSA-N -1 0 345.443 3.231 20 30 EGEDRM C[C@@H](Oc1ccc(/C=C/C(=O)c2ccc(C#N)s2)cc1)C(=O)[O-] ZINC000794703728 605000198 /nfs/dbraw/zinc/00/01/98/605000198.db2.gz VFVZYKBLLJADPW-SOZJPDODSA-N -1 0 327.361 3.368 20 30 EGEDRM C[C@@H](C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1)c1c(F)cccc1F ZINC000833407191 605035968 /nfs/dbraw/zinc/03/59/68/605035968.db2.gz SFCWNLMVLBLGLD-HWPZZCPQSA-N -1 0 345.301 3.309 20 30 EGEDRM C=CCn1nnnc1S[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000833380646 605072177 /nfs/dbraw/zinc/07/21/77/605072177.db2.gz LTCDGOPVYQEDBL-SNVBAGLBSA-N -1 0 345.211 3.084 20 30 EGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@@H]1CCC(=O)C[C@H]1C ZINC000833379846 605130435 /nfs/dbraw/zinc/13/04/35/605130435.db2.gz NXNSGTCYRYHZGZ-IAQYHMDHSA-N -1 0 346.379 3.033 20 30 EGEDRM C=C(C)CN(C)C(=O)Nc1ccc(Br)cc1C(=O)[O-] ZINC000135308137 605399091 /nfs/dbraw/zinc/39/90/91/605399091.db2.gz UJCAZGRVXYPDBJ-UHFFFAOYSA-N -1 0 327.178 3.187 20 30 EGEDRM C=CCNc1nnc(SCc2cc(C(=O)[O-])ccc2F)s1 ZINC000833375958 605859290 /nfs/dbraw/zinc/85/92/90/605859290.db2.gz PDQRIXRJWXMTLV-UHFFFAOYSA-N -1 0 325.390 3.266 20 30 EGEDRM N#Cc1nc(NC(=O)c2ccc(SC(F)(F)F)cc2)[n-]c1C#N ZINC000026270165 1291269438 /nfs/dbraw/zinc/26/94/38/1291269438.db2.gz UNLDZIJAGZXTOA-UHFFFAOYSA-N -1 0 337.286 3.017 20 30 EGEDRM COc1cccc(C(=O)/C=C/c2cc(OC)c([O-])c([N+](=O)[O-])c2)c1 ZINC000035405036 1291393619 /nfs/dbraw/zinc/39/36/19/1291393619.db2.gz BWQPGYMDMGDRMA-VOTSOKGWSA-N -1 0 329.308 3.214 20 30 EGEDRM O=C([N-]S(=O)(=O)c1cccs1)c1ccc(Br)cc1 ZINC000042243686 1291437253 /nfs/dbraw/zinc/43/72/53/1291437253.db2.gz ORHYICLBSTUWMM-UHFFFAOYSA-N -1 0 346.227 3.204 20 30 EGEDRM Cc1cccc(O[C@@H](C)C(=O)[N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000042249396 1291438355 /nfs/dbraw/zinc/43/83/55/1291438355.db2.gz BCSMTWAPHNCATC-LBPRGKRZSA-N -1 0 337.372 3.247 20 30 EGEDRM Cc1cc(C)cc(C(=O)[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000042339933 1291441609 /nfs/dbraw/zinc/44/16/09/1291441609.db2.gz BREKKBNLWJHSFY-UHFFFAOYSA-N -1 0 348.380 3.046 20 30 EGEDRM COc1cccc(CC(=O)[N-]S(=O)(=O)c2ccc(C)cc2C)c1 ZINC000046930019 1291557857 /nfs/dbraw/zinc/55/78/57/1291557857.db2.gz HKEXWKPABFGCQP-UHFFFAOYSA-N -1 0 333.409 3.200 20 30 EGEDRM Cc1ccc(O[C@H](C)C(=O)[N-]S(=O)(=O)c2ccccc2C)cc1 ZINC000046928090 1291557905 /nfs/dbraw/zinc/55/79/05/1291557905.db2.gz BVVWCVBJSWXLOA-CQSZACIVSA-N -1 0 333.409 3.416 20 30 EGEDRM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)COc2ccccc2C)c1 ZINC000046929263 1291558131 /nfs/dbraw/zinc/55/81/31/1291558131.db2.gz WSZCTXFKWXXNHQ-UHFFFAOYSA-N -1 0 333.409 3.336 20 30 EGEDRM CS(=O)(=O)[N-]C(=O)c1ccccc1SCc1cccs1 ZINC000048480064 1291607102 /nfs/dbraw/zinc/60/71/02/1291607102.db2.gz NEOOPNGCVAQZSZ-UHFFFAOYSA-N -1 0 327.452 3.305 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)CCCOc2ccccc2)cc1 ZINC000048497028 1291607991 /nfs/dbraw/zinc/60/79/91/1291607991.db2.gz VLNFKRNNAZWFFL-UHFFFAOYSA-N -1 0 344.392 3.063 20 30 EGEDRM Cc1ccc(C(=O)[N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)o1 ZINC000048514502 1291608049 /nfs/dbraw/zinc/60/80/49/1291608049.db2.gz SEMBLGYYICIXQF-UHFFFAOYSA-N -1 0 333.287 3.300 20 30 EGEDRM CS[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000048519750 1291608827 /nfs/dbraw/zinc/60/88/27/1291608827.db2.gz VUDJLGGJHOAWIW-ZETCQYMHSA-N -1 0 327.349 3.102 20 30 EGEDRM O=C([N-]S(=O)(=O)c1ccccc1F)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000048592522 1291612008 /nfs/dbraw/zinc/61/20/08/1291612008.db2.gz JBPOOBOUGRMUPT-OLZOCXBDSA-N -1 0 337.347 3.414 20 30 EGEDRM Cc1ccc(SCC(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000048598412 1291612312 /nfs/dbraw/zinc/61/23/12/1291612312.db2.gz OSKVOZWZEDEYOY-UHFFFAOYSA-N -1 0 346.433 3.304 20 30 EGEDRM O=C(CCc1ccccc1)[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000048612164 1291613706 /nfs/dbraw/zinc/61/37/06/1291613706.db2.gz AZKLXYWDOMEZPC-UHFFFAOYSA-N -1 0 329.421 3.453 20 30 EGEDRM Cc1cc(C(=O)[N-]S(=O)(=O)N(C)Cc2ccccc2)sc1C ZINC000048677047 1291616326 /nfs/dbraw/zinc/61/63/26/1291616326.db2.gz ULPVFGJEEKDMRT-UHFFFAOYSA-N -1 0 338.454 3.046 20 30 EGEDRM O=C([N-]S(=O)(=O)C1=Cc2ccccc2CC1)c1ccccc1F ZINC000058035301 1291875395 /nfs/dbraw/zinc/87/53/95/1291875395.db2.gz IUQKCYQYILNSMN-UHFFFAOYSA-N -1 0 331.368 3.447 20 30 EGEDRM CN(Cc1ccccc1)S(=O)(=O)[N-]C(=O)C(C)(C)c1ccccc1 ZINC000069643414 1292246766 /nfs/dbraw/zinc/24/67/66/1292246766.db2.gz CHVZWFAOIMLSMU-UHFFFAOYSA-N -1 0 346.452 3.298 20 30 EGEDRM O=C([N-]S(=O)(=O)c1ccc(Cl)cc1)[C@H]1COc2ccccc21 ZINC000073086702 1292304325 /nfs/dbraw/zinc/30/43/25/1292304325.db2.gz KDWCBRANTPHJKJ-ZDUSSCGKSA-N -1 0 337.784 3.161 20 30 EGEDRM CCCc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2COc3ccccc32)cc1 ZINC000073087224 1292305842 /nfs/dbraw/zinc/30/58/42/1292305842.db2.gz KQUUXJXORSIVNY-INIZCTEOSA-N -1 0 345.420 3.461 20 30 EGEDRM C[C@H]1CC[C@H](CCC(=O)[N-]S(=O)(=O)c2ccccc2Cl)O1 ZINC000076764984 1292441569 /nfs/dbraw/zinc/44/15/69/1292441569.db2.gz JTAQVVXUQPXJBI-WDEREUQCSA-N -1 0 331.821 3.333 20 30 EGEDRM C[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000076761504 1292441719 /nfs/dbraw/zinc/44/17/19/1292441719.db2.gz APCHAUPKFDJUNE-YPMHNXCESA-N -1 0 340.401 3.207 20 30 EGEDRM C[C@@H](CCc1cccc(F)c1)C(=O)[N-]S(=O)(=O)N1CCCCC1 ZINC000076877715 1292447899 /nfs/dbraw/zinc/44/78/99/1292447899.db2.gz JYLWDYQNVOFTLQ-ZDUSSCGKSA-N -1 0 342.436 3.082 20 30 EGEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)C2CC=CC2)cc1C(F)(F)F ZINC000077940409 1292491349 /nfs/dbraw/zinc/49/13/49/1292491349.db2.gz INQJTQCKRQDDLZ-UHFFFAOYSA-N -1 0 344.314 3.188 20 30 EGEDRM CC=C(C)C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000089964159 1292781089 /nfs/dbraw/zinc/78/10/89/1292781089.db2.gz KUJRWEPHWUPVOK-BAQGIRSFSA-N -1 0 332.303 3.188 20 30 EGEDRM Cc1ccsc1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000091125736 1292820858 /nfs/dbraw/zinc/82/08/58/1292820858.db2.gz HGZOLDPGHMYXJC-UHFFFAOYSA-N -1 0 337.422 3.075 20 30 EGEDRM COc1ccc(C(=O)/C=C\c2cc(OC)c(OC)c(OC)c2)c([O-])c1 ZINC000096753325 1292953677 /nfs/dbraw/zinc/95/36/77/1292953677.db2.gz NHIYSMJCFMKYPL-YVMONPNESA-N -1 0 344.363 3.323 20 30 EGEDRM CC(C)(C)OC(=O)N[C@H](CN=Nc1ccccc1C(=O)[O-])CC1CC1 ZINC000834934640 1293177793 /nfs/dbraw/zinc/17/77/93/1293177793.db2.gz GEFYHASZTBFZTR-ZDUSSCGKSA-N -1 0 347.415 3.476 20 30 EGEDRM C[C@@H](Oc1cccc(C=NN[C@H]2CCc3c2cccc3F)c1)C(=O)[O-] ZINC000835020522 1293189519 /nfs/dbraw/zinc/18/95/19/1293189519.db2.gz NFUFHJNKGFDRKV-XIKOKIGWSA-N -1 0 342.370 3.289 20 30 EGEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1cccc2c1CCCC2 ZINC000835062760 1293196650 /nfs/dbraw/zinc/19/66/50/1293196650.db2.gz WYUHPXYXNRVRFT-LJQANCHMSA-N -1 0 332.403 3.204 20 30 EGEDRM C=CCNC(=O)C(C#N)=C([O-])c1cc(-c2ccc(F)cc2)c(C)s1 ZINC000120042115 1293300371 /nfs/dbraw/zinc/30/03/71/1293300371.db2.gz BXOAOPJCMRTTAK-OAHLLOKOSA-N -1 0 342.395 3.487 20 30 EGEDRM CCCCCCCCC(=O)[N-]S(=O)(=O)c1nc(C)c(C)s1 ZINC000835585079 1293323505 /nfs/dbraw/zinc/32/35/05/1293323505.db2.gz IJGXHDWUVLEBQR-UHFFFAOYSA-N -1 0 332.491 3.315 20 30 EGEDRM C#CCCCCCC(=O)[N-]S(=O)(=O)[C@@H]1CCCc2ccccc21 ZINC000835591502 1293324637 /nfs/dbraw/zinc/32/46/37/1293324637.db2.gz RDEWKRITLLAIQR-QGZVFWFLSA-N -1 0 333.453 3.094 20 30 EGEDRM CC(=O)c1cc(C([O-])=C(C#N)C(=O)c2c(C)[nH]c3ccccc32)n(C)c1 ZINC000121004614 1293351282 /nfs/dbraw/zinc/35/12/82/1293351282.db2.gz PULLEFRARDFMLC-HNNXBMFYSA-N -1 0 347.374 3.223 20 30 EGEDRM C=CCn1c(=O)c2ccc(C(=O)N[C@@H](C)CC(C)C)cc2[n-]c1=S ZINC000121728238 1293386399 /nfs/dbraw/zinc/38/63/99/1293386399.db2.gz QLLOWLAEBKZFMH-LBPRGKRZSA-N -1 0 345.468 3.036 20 30 EGEDRM COc1ccc2c(c1)C(=O)/C(=C\c1ccc([O-])c([N+](=O)[O-])c1)CCO2 ZINC000122443590 1293413142 /nfs/dbraw/zinc/41/31/42/1293413142.db2.gz WDFAYKFXMLMNTM-WQLSENKSSA-N -1 0 341.319 3.358 20 30 EGEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc(-c2ccccc2)cc1 ZINC000122847963 1293426555 /nfs/dbraw/zinc/42/65/55/1293426555.db2.gz UWARIMBTKQCMHZ-QGZVFWFLSA-N -1 0 329.359 3.292 20 30 EGEDRM C[C@@H](Sc1ccccc1Cl)C(=O)C(C#N)=C([O-])c1nccn1C ZINC000123210231 1293436524 /nfs/dbraw/zinc/43/65/24/1293436524.db2.gz PLTMLCFMXMFKDK-GHMZBOCLSA-N -1 0 347.827 3.146 20 30 EGEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1cccc(Oc2ccccc2)c1 ZINC000124417319 1293475362 /nfs/dbraw/zinc/47/53/62/1293475362.db2.gz IVQNFKARLYXVTE-SFHVURJKSA-N -1 0 334.375 3.424 20 30 EGEDRM N#CC(C(=O)NC1CC1)=C([O-])c1cncc(-c2ccc(Cl)cc2)c1 ZINC000124558641 1293479105 /nfs/dbraw/zinc/47/91/05/1293479105.db2.gz SFMIWSVMEZKNFW-INIZCTEOSA-N -1 0 339.782 3.003 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)[C@@H](O)c2cc(Cl)cc(Cl)c2)c1 ZINC000127065466 1293552524 /nfs/dbraw/zinc/55/25/24/1293552524.db2.gz GUXNRKMBXBMUJD-AWEZNQCLSA-N -1 0 337.162 3.243 20 30 EGEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1cc2c(s1)CCCC2 ZINC000127255825 1293557521 /nfs/dbraw/zinc/55/75/21/1293557521.db2.gz QQZCNGGNFKPJLO-CQSZACIVSA-N -1 0 330.453 3.398 20 30 EGEDRM CCCCCCCCC(=O)[N-]S(=O)(=O)c1cccc(OC)c1 ZINC000127351818 1293560676 /nfs/dbraw/zinc/56/06/76/1293560676.db2.gz UXNJUTOQXNHCLZ-UHFFFAOYSA-N -1 0 327.446 3.251 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)C(=O)NC(C)C)c(C)n1Cc1ccccc1 ZINC000130703692 1293666308 /nfs/dbraw/zinc/66/63/08/1293666308.db2.gz AXXSDVREKOMOCF-SFHVURJKSA-N -1 0 337.423 3.000 20 30 EGEDRM CC(C)NC(=O)C(C#N)=C([O-])c1csc(-c2cccc(Cl)c2)n1 ZINC000130889469 1293672158 /nfs/dbraw/zinc/67/21/58/1293672158.db2.gz XUTAPZKRQCUFDK-GFCCVEGCSA-N -1 0 347.827 3.311 20 30 EGEDRM CNC(=O)C(C#N)=C([O-])c1cc(C)n(-c2cccc(C(C)C)c2)c1C ZINC000133526323 1293747279 /nfs/dbraw/zinc/74/72/79/1293747279.db2.gz AKBRRMQBZXUQGN-SFHVURJKSA-N -1 0 337.423 3.286 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(OCC2CC2)cc1 ZINC000148977144 1293885127 /nfs/dbraw/zinc/88/51/27/1293885127.db2.gz XMZRPJRRXFGTIC-KRWDZBQOSA-N -1 0 328.412 3.104 20 30 EGEDRM C=CC[C@@H](NC(=O)c1ccc2cc(Br)ccc2c1)C(=O)[O-] ZINC000150323981 1293890307 /nfs/dbraw/zinc/89/03/07/1293890307.db2.gz YIDWSDOJELOUQA-CQSZACIVSA-N -1 0 348.196 3.361 20 30 EGEDRM COc1cc(/C=C/C(=O)c2ccc(F)cc2[O-])ccc1OCC#N ZINC000156715433 1294156261 /nfs/dbraw/zinc/15/62/61/1294156261.db2.gz SIGDUDOIXIFMMT-QHHAFSJGSA-N -1 0 327.311 3.338 20 30 EGEDRM N#CC(C(=O)Nc1ccccc1)=C([O-])c1occc1Br ZINC000176091705 1294589899 /nfs/dbraw/zinc/58/98/99/1294589899.db2.gz VVUFMLIMQVILPC-SNVBAGLBSA-N -1 0 333.141 3.003 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)Cc2coc(-c3cccs3)n2)c1 ZINC000176815339 1294633142 /nfs/dbraw/zinc/63/31/42/1294633142.db2.gz HTLJACGCQPGBPH-UHFFFAOYSA-N -1 0 325.349 3.162 20 30 EGEDRM N#Cc1ccc([O-])c(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)c1 ZINC000176821758 1294633170 /nfs/dbraw/zinc/63/31/70/1294633170.db2.gz VJYGYXLRIGBWQO-INIZCTEOSA-N -1 0 338.363 3.074 20 30 EGEDRM Cc1cc(F)c(S(=O)(=O)[N-]c2cccc(C#N)c2C)cc1[N+](=O)[O-] ZINC000179025381 1294769305 /nfs/dbraw/zinc/76/93/05/1294769305.db2.gz XSMPOOLOJJKZHO-UHFFFAOYSA-N -1 0 349.343 3.023 20 30 EGEDRM CC(C)(C)c1[n-]n(CC2CCC3(CC2)OCCO3)c(=O)c1CCC#N ZINC000192188940 1295743180 /nfs/dbraw/zinc/74/31/80/1295743180.db2.gz IMCLJFPBSNJPND-UHFFFAOYSA-N -1 0 347.459 3.276 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cccc(C(F)(F)F)c1 ZINC000193367929 1295856536 /nfs/dbraw/zinc/85/65/36/1295856536.db2.gz DRHUSWDZRJGNJL-ZDUSSCGKSA-N -1 0 326.318 3.334 20 30 EGEDRM C[C@@H]1CCc2[nH]c3ccc(C([O-])=C(C#N)C(=O)N4CCCC4)cc3c2C1 ZINC000193356119 1295856810 /nfs/dbraw/zinc/85/68/10/1295856810.db2.gz PBADTZAPMCKOIM-CXAGYDPISA-N -1 0 349.434 3.238 20 30 EGEDRM CCCc1nc(C)c(C([O-])=C(C#N)C(=O)NCc2ccccc2)s1 ZINC000193410340 1295864016 /nfs/dbraw/zinc/86/40/16/1295864016.db2.gz IWBGFJNTFQAHNV-CQSZACIVSA-N -1 0 341.436 3.043 20 30 EGEDRM O=C1c2cc(F)cc(F)c2OC/C1=C/c1ccc([O-])c([N+](=O)[O-])c1 ZINC000194579664 1295989715 /nfs/dbraw/zinc/98/97/15/1295989715.db2.gz HGLDMJUZIOZGEP-OQFOIZHKSA-N -1 0 333.246 3.237 20 30 EGEDRM COc1ccc(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cc1CC(=O)[O-] ZINC000207706877 1296095644 /nfs/dbraw/zinc/09/56/44/1296095644.db2.gz RYMJVOFDLUODEA-YWEYNIOJSA-N -1 0 341.319 3.127 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)Nc1cc(C)c(Br)c(C)c1 ZINC000232044832 1296172854 /nfs/dbraw/zinc/17/28/54/1296172854.db2.gz NYIKHFIWDVTNGF-UHFFFAOYSA-N -1 0 341.205 3.170 20 30 EGEDRM N#Cc1ccc(C(=O)/C=C\c2ccc(OCCC(=O)[O-])cc2)s1 ZINC000254930446 1296480804 /nfs/dbraw/zinc/48/08/04/1296480804.db2.gz VOZQIRCZROERLS-CLTKARDFSA-N -1 0 327.361 3.369 20 30 EGEDRM COc1ccc(/C=C\C(=O)c2ccc([O-])c([N+](=O)[O-])c2)c(OC)c1 ZINC000255064758 1296493961 /nfs/dbraw/zinc/49/39/61/1296493961.db2.gz SHIORCRXEIMBMF-DAXSKMNVSA-N -1 0 329.308 3.214 20 30 EGEDRM Cc1ccc(/C=C\C(=O)c2ccc([O-])c(CN3CCOCC3)c2)cc1 ZINC000255397289 1296530949 /nfs/dbraw/zinc/53/09/49/1296530949.db2.gz PHBFOMXVWALSAK-VURMDHGXSA-N -1 0 337.419 3.429 20 30 EGEDRM COc1ccc(C(=O)/C=C\c2cn(C)nc2-c2ccncc2)c([O-])c1 ZINC000255449530 1296534659 /nfs/dbraw/zinc/53/46/59/1296534659.db2.gz ORVXIZMXECDHFW-UTCJRWHESA-N -1 0 335.363 3.092 20 30 EGEDRM C[C@H](C#N)Oc1ccc(/C=C\C(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000255505758 1296539501 /nfs/dbraw/zinc/53/95/01/1296539501.db2.gz BCJBEJOBUNYKGM-HXUAIIEXSA-N -1 0 338.319 3.487 20 30 EGEDRM CC(C)(C)OC(=O)N(CC/N=C\c1cc([N+](=O)[O-])ccc1[O-])C1CC1 ZINC000255894040 1296576948 /nfs/dbraw/zinc/57/69/48/1296576948.db2.gz PPRNGJPIPKUVRD-WQRHYEAKSA-N -1 0 349.387 3.119 20 30 EGEDRM C=CCC[C@H](NC(=O)c1ccc(SC(F)(F)F)cc1)C(=O)[O-] ZINC000262814855 1296647998 /nfs/dbraw/zinc/64/79/98/1296647998.db2.gz DQIHSTRKINFUAI-NSHDSACASA-N -1 0 333.331 3.448 20 30 EGEDRM C=CCC[C@@H](NC(=O)c1cc(C)n(Cc2ccccc2)c1C)C(=O)[O-] ZINC000262919187 1296652245 /nfs/dbraw/zinc/65/22/45/1296652245.db2.gz NVLGWVKMOJAFFH-GOSISDBHSA-N -1 0 340.423 3.302 20 30 EGEDRM C=CCC[C@@H](NC(=O)[C@@H](C)c1ccc(Br)s1)C(=O)[O-] ZINC000263018206 1296656087 /nfs/dbraw/zinc/65/60/87/1296656087.db2.gz XWBRHDFXVMUULZ-DTWKUNHWSA-N -1 0 346.246 3.150 20 30 EGEDRM C=CCC(CC=C)C(=O)N[C@@](C)(CC(=O)[O-])c1cccc(OC)c1 ZINC000263273745 1296673527 /nfs/dbraw/zinc/67/35/27/1296673527.db2.gz XTLCOCBOVVTRHV-IBGZPJMESA-N -1 0 331.412 3.270 20 30 EGEDRM N#Cc1cc(F)cc(NC(=O)c2cc(Br)ccc2[O-])c1 ZINC000720294221 1298325458 /nfs/dbraw/zinc/32/54/58/1298325458.db2.gz QMTWFWQMHPRLGC-UHFFFAOYSA-N -1 0 335.132 3.418 20 30 EGEDRM O=c1c2ccccc2[n-]c(=S)n1N=Cc1ccc2ncccc2c1 ZINC000725860259 1298377854 /nfs/dbraw/zinc/37/78/54/1298377854.db2.gz YXXAPFUXVHBKLL-UHFFFAOYSA-N -1 0 332.388 3.116 20 30 EGEDRM Cc1cc(=O)[n-]c(N=NC[C@H](C)c2cccc(Br)c2)n1 ZINC000747623414 1298810032 /nfs/dbraw/zinc/81/00/32/1298810032.db2.gz BVGQVQWAFDURNW-VIFPVBQESA-N -1 0 335.205 3.455 20 30 EGEDRM C[C@H](Oc1cccc(C(=O)/C=C\c2cc(C#N)cs2)c1)C(=O)[O-] ZINC000748440117 1299007638 /nfs/dbraw/zinc/00/76/38/1299007638.db2.gz HNMBWWYJUCBYPO-GZTOBOFZSA-N -1 0 327.361 3.368 20 30 EGEDRM CC(=NNc1ccc(C(=O)[O-])cc1)c1ccc(N2CCOC2=O)cc1 ZINC000748580644 1299041270 /nfs/dbraw/zinc/04/12/70/1299041270.db2.gz UUKURVHMJXLPOB-UHFFFAOYSA-N -1 0 339.351 3.178 20 30 EGEDRM CC(=O)N1CCCc2cc(N=Cc3cc([N+](=O)[O-])ccc3[O-])ccc21 ZINC000749104348 1299142351 /nfs/dbraw/zinc/14/23/51/1299142351.db2.gz JLYVVAXUJOPFTP-UHFFFAOYSA-N -1 0 339.351 3.350 20 30 EGEDRM CN(C)c1ccc(/C=C/C(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1F ZINC000749592107 1299241223 /nfs/dbraw/zinc/24/12/23/1299241223.db2.gz XZKOPLSMOONEAF-QPJJXVBHSA-N -1 0 330.315 3.402 20 30 EGEDRM C[C@H](CC#N)Sc1ccccc1[N-]C(=S)NC[C@H]1CCOC1 ZINC000749709735 1299258470 /nfs/dbraw/zinc/25/84/70/1299258470.db2.gz ZPICCCPTRFNDCA-CHWSQXEVSA-N -1 0 335.498 3.404 20 30 EGEDRM Cc1ccc(F)c2c1NC(=O)C2=NNc1ccc(Cl)c(C(=O)[O-])c1 ZINC000750915942 1299476603 /nfs/dbraw/zinc/47/66/03/1299476603.db2.gz FCIHKYKWUVSGEU-UHFFFAOYSA-N -1 0 347.733 3.254 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])cc1CN=Nc1ncnc2c3ccccc3oc21 ZINC000751135445 1299515556 /nfs/dbraw/zinc/51/55/56/1299515556.db2.gz XOUVPKHSHPBJKT-UHFFFAOYSA-N -1 0 349.306 3.436 20 30 EGEDRM C[C@H](NC(=S)NN=Cc1cc(Cl)cc(Cl)c1[O-])C1CC1 ZINC000751531718 1299564329 /nfs/dbraw/zinc/56/43/29/1299564329.db2.gz OPMRNLWICMLFNP-ZETCQYMHSA-N -1 0 332.256 3.296 20 30 EGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2cc(Cl)ccc2C)n1 ZINC000753447449 1299936511 /nfs/dbraw/zinc/93/65/11/1299936511.db2.gz NNLXJXADVKSERZ-CYBMUJFWSA-N -1 0 348.811 3.447 20 30 EGEDRM O=C([O-])COc1cccc(CN=Nc2nc(C(F)(F)F)cs2)c1 ZINC000755902877 1300412585 /nfs/dbraw/zinc/41/25/85/1300412585.db2.gz BFWNOHCAUZCSEE-UHFFFAOYSA-N -1 0 345.302 3.071 20 30 EGEDRM COc1cc(C(=O)[O-])ccc1N=NCc1ccccc1OC(F)F ZINC000756906037 1300587049 /nfs/dbraw/zinc/58/70/49/1300587049.db2.gz QQGGKYLAXOAVNL-UHFFFAOYSA-N -1 0 336.294 3.441 20 30 EGEDRM O=C(/C=C\c1ccc(N2CCOCC2)c(F)c1)c1cc(F)ccc1[O-] ZINC000757467275 1300673345 /nfs/dbraw/zinc/67/33/45/1300673345.db2.gz COVLPKKCBPCHAX-DJWKRKHSSA-N -1 0 345.345 3.403 20 30 EGEDRM O=C(/C=C/c1cc2c(cc1[N+](=O)[O-])OCCO2)c1cc(F)ccc1[O-] ZINC000757468828 1300673438 /nfs/dbraw/zinc/67/34/38/1300673438.db2.gz YHPMRBQLYVUZNJ-HNQUOIGGSA-N -1 0 345.282 3.107 20 30 EGEDRM COc1cc2c(cc1/C=C\C(=O)c1cc(F)cc(F)c1[O-])OCO2 ZINC000758932818 1300983569 /nfs/dbraw/zinc/98/35/69/1300983569.db2.gz WCKPBVLJETWISJ-IHWYPQMZSA-N -1 0 334.274 3.304 20 30 EGEDRM CCOc1cc(/C=C\C(=O)c2cc([N+](=O)[O-])ccc2[O-])ccc1O ZINC000759090456 1301013487 /nfs/dbraw/zinc/01/34/87/1301013487.db2.gz LFEYRIOSFYAZSH-UTCJRWHESA-N -1 0 329.308 3.301 20 30 EGEDRM COc1cccc2c1C/C(=C\c1cccc(O[C@@H](C)C(=O)[O-])c1)C2=O ZINC000759667248 1301137270 /nfs/dbraw/zinc/13/72/70/1301137270.db2.gz WZRFLSNRILJRKB-IGVUGNCQSA-N -1 0 338.359 3.370 20 30 EGEDRM O=C([O-])c1ccc2c(c1)n[nH]c2CN=Nc1ncccc1C(F)(F)F ZINC000765572960 1302284019 /nfs/dbraw/zinc/28/40/19/1302284019.db2.gz QODXDGXEEXGHOX-UHFFFAOYSA-N -1 0 349.272 3.121 20 30 EGEDRM N#Cc1cc(/C=C\C(=O)c2cccc(OCC(=O)[O-])c2)ccc1F ZINC000770566650 1303285316 /nfs/dbraw/zinc/28/53/16/1303285316.db2.gz ONVSTKDFZARFOQ-ALCCZGGFSA-N -1 0 325.295 3.057 20 30 EGEDRM C[C@H](C(=O)C(C#N)=C([O-])c1nccn1C)c1ccccc1C(F)(F)F ZINC000770871512 1303323837 /nfs/dbraw/zinc/32/38/37/1303323837.db2.gz NIKGLZICNOWYLB-JQWIXIFHSA-N -1 0 349.312 3.134 20 30 EGEDRM O=C(/C=C/c1cc([O-])ccc1[N+](=O)[O-])c1ccc(-n2cccn2)cc1 ZINC000772797260 1303577906 /nfs/dbraw/zinc/57/79/06/1303577906.db2.gz NGANHHHCMGLCKG-RUDMXATFSA-N -1 0 335.319 3.382 20 30 EGEDRM C[C@@H](Oc1cccc(/C=C2/Oc3cc(F)ccc3C2=O)c1)C(=O)[O-] ZINC000773169444 1303636085 /nfs/dbraw/zinc/63/60/85/1303636085.db2.gz CWUKLRCNRABQNV-LYQMGENXSA-N -1 0 328.295 3.294 20 30 EGEDRM CCO[C@@H]1CC(N=Nc2ccc(C(=O)[O-])cc2)[C@@H]1Oc1ccccc1 ZINC000774302169 1303795493 /nfs/dbraw/zinc/79/54/93/1303795493.db2.gz QNMYHNRYHXNZEH-MSOLQXFVSA-N -1 0 340.379 3.409 20 30 EGEDRM N#CCCCOc1cccnc1NC(=O)c1cccc(Cl)c1[O-] ZINC000775696466 1304016743 /nfs/dbraw/zinc/01/67/43/1304016743.db2.gz LSXYECPKSMUALK-UHFFFAOYSA-N -1 0 331.759 3.375 20 30 EGEDRM C=CCSc1ccccc1C(=O)[N-]S(=O)(=O)CC(CC)CC ZINC000777315119 1304282210 /nfs/dbraw/zinc/28/22/10/1304282210.db2.gz OPPPZUJITPFRJB-UHFFFAOYSA-N -1 0 341.498 3.461 20 30 EGEDRM CC[C@@H](C)c1ccc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCCC2)cc1 ZINC000779317208 1304555030 /nfs/dbraw/zinc/55/50/30/1304555030.db2.gz YWNGKEHZEOQEKS-CQSZACIVSA-N -1 0 348.468 3.344 20 30 EGEDRM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccccc1O[C@@H](C)C#N ZINC000779848356 1304613859 /nfs/dbraw/zinc/61/38/59/1304613859.db2.gz MFRJOTOIXWELFW-NSHDSACASA-N -1 0 334.372 3.226 20 30 EGEDRM O=C([O-])c1ccc(NN=Cc2cnn(Cc3ccc(F)cc3)c2)cc1 ZINC000780187189 1304650325 /nfs/dbraw/zinc/65/03/25/1304650325.db2.gz SYDDHDJKDHTBHS-UHFFFAOYSA-N -1 0 338.342 3.215 20 30 EGEDRM CCCCCCCCC(=O)[N-]S(=O)(=O)c1ccc(OCC)nc1 ZINC000781862404 1304883740 /nfs/dbraw/zinc/88/37/40/1304883740.db2.gz PWIXVVYXQQPDAF-UHFFFAOYSA-N -1 0 342.461 3.036 20 30 EGEDRM C=CCCCCCOC(=O)c1ccc(F)cc1[N-]S(C)(=O)=O ZINC000783030176 1305038894 /nfs/dbraw/zinc/03/88/94/1305038894.db2.gz QGIPXQJANDLKOK-UHFFFAOYSA-N -1 0 329.393 3.100 20 30 EGEDRM CCCCCC[C@H](C)CC(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1 ZINC000783440230 1305091887 /nfs/dbraw/zinc/09/18/87/1305091887.db2.gz KLSGLCFUKQLTON-ZDUSSCGKSA-N -1 0 344.415 3.346 20 30 EGEDRM N#CC(C(=O)NCc1cccc(Cl)c1)=C([O-])c1ccc(Cl)o1 ZINC000786530197 1305590288 /nfs/dbraw/zinc/59/02/88/1305590288.db2.gz FZMOURTZVQDEFZ-LLVKDONJSA-N -1 0 337.162 3.225 20 30 EGEDRM N#CC(C(=O)NCc1cccc(Cl)c1)=C([O-])c1ccc(F)c(F)c1 ZINC000786533720 1305591387 /nfs/dbraw/zinc/59/13/87/1305591387.db2.gz HPPNDVMXWWDLNQ-ZDUSSCGKSA-N -1 0 348.736 3.257 20 30 EGEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2ccc(Cl)cc2)c1 ZINC000786538570 1305593007 /nfs/dbraw/zinc/59/30/07/1305593007.db2.gz AEASVSYQFHTHIH-MRXNPFEDSA-N -1 0 326.783 3.287 20 30 EGEDRM Cc1cc(F)ccc1C([O-])=C(C#N)C(=O)NCc1ccc(F)cc1F ZINC000786561800 1305599631 /nfs/dbraw/zinc/59/96/31/1305599631.db2.gz PKZQIMSNAMWULT-HNNXBMFYSA-N -1 0 346.308 3.051 20 30 EGEDRM Cc1cc(C([O-])=C(C#N)C(=O)NCc2ccc(F)c(F)c2)c(C)s1 ZINC000786566227 1305601089 /nfs/dbraw/zinc/60/10/89/1305601089.db2.gz XJNDWTDUXVNMLO-ZDUSSCGKSA-N -1 0 348.374 3.282 20 30 EGEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1cccc(C(C)=O)c1)c1ccccc1 ZINC000787047395 1305684945 /nfs/dbraw/zinc/68/49/45/1305684945.db2.gz XFNRFXXGKBOJCY-OALUTQOASA-N -1 0 348.402 3.479 20 30 EGEDRM N#Cc1ccc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c(Cl)c1 ZINC000893668033 1306020632 /nfs/dbraw/zinc/02/06/32/1306020632.db2.gz BOXQTBKJRNYDCE-UHFFFAOYSA-N -1 0 345.752 3.107 20 30 EGEDRM CC(C)c1nc(C#N)c(N=NC2CC[C@@H](C(=O)[O-])c3ccccc32)o1 ZINC000789000357 1306061588 /nfs/dbraw/zinc/06/15/88/1306061588.db2.gz HWOVFZGYHBNOHC-CYBMUJFWSA-N -1 0 338.367 3.448 20 30 EGEDRM C[C@@]1(C#N)CCCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000894446579 1308892238 /nfs/dbraw/zinc/89/22/38/1308892238.db2.gz VYAJLPPAZKFRDK-AWEZNQCLSA-N -1 0 327.197 3.419 20 30 EGEDRM N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2ccc3[n-]c(=S)oc3c2)cc1 ZINC000792233051 1309147444 /nfs/dbraw/zinc/14/74/44/1309147444.db2.gz XXSFKFSZLZHCAR-ZDUSSCGKSA-N -1 0 348.387 3.309 20 30 EGEDRM CCCCCCC[C@H](CC(=O)[O-])NS(=O)(=O)c1cccs1 ZINC000792564496 1309188958 /nfs/dbraw/zinc/18/89/58/1309188958.db2.gz WYOKINJXHLXLHH-GFCCVEGCSA-N -1 0 333.475 3.230 20 30 EGEDRM C=CCC(C)(C)C(=O)[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1C ZINC000796979846 1310119837 /nfs/dbraw/zinc/11/98/37/1310119837.db2.gz BWXBAWJQHVQCOE-UHFFFAOYSA-N -1 0 349.374 3.421 20 30 EGEDRM C=CCN(CC(=O)[O-])C(=O)N[C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000797719610 1310236167 /nfs/dbraw/zinc/23/61/67/1310236167.db2.gz ATKUOWFWDCZPBJ-LBPRGKRZSA-N -1 0 345.424 3.153 20 30 EGEDRM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1cnc(Cl)cc1C#N ZINC000798211058 1310317557 /nfs/dbraw/zinc/31/75/57/1310317557.db2.gz WREOZLQDOKHCJM-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1ccc(C)c(C#N)c1)c1ccccc1 ZINC000799626981 1310590471 /nfs/dbraw/zinc/59/04/71/1310590471.db2.gz MEBLPJYYMHCAIU-MOPGFXCFSA-N -1 0 345.402 3.457 20 30 EGEDRM CC(=CN=Nc1nnc(C)c(=O)[n-]1)Cc1ccccc1C(F)(F)F ZINC000799869128 1310631040 /nfs/dbraw/zinc/63/10/40/1310631040.db2.gz JMHWOUHCDWPJFX-OFUYJLDISA-N -1 0 337.305 3.406 20 30 EGEDRM Cc1nnc(N=NC(C)CCc2ccc(C(F)(F)F)cc2)[n-]c1=O ZINC000800806387 1310809403 /nfs/dbraw/zinc/80/94/03/1310809403.db2.gz FHNTZZRXEOCGGB-UHFFFAOYSA-N -1 0 339.321 3.325 20 30 EGEDRM C=CCC1(C(=O)[N-]S(=O)(=O)CCc2cccc(Cl)c2)CCC1 ZINC000803054400 1317075356 /nfs/dbraw/zinc/07/53/56/1317075356.db2.gz NXVYZKWEWTVWNM-UHFFFAOYSA-N -1 0 341.860 3.075 20 30 EGEDRM CCN(C)C(=O)c1cccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000804600068 1317265208 /nfs/dbraw/zinc/26/52/08/1317265208.db2.gz UBLWIVQGBUDGGW-UHFFFAOYSA-N -1 0 327.340 3.143 20 30 EGEDRM COc1ccccc1-n1nccc1/C=C\C(=O)c1cccc(C(=O)[O-])c1 ZINC000806558562 1317500425 /nfs/dbraw/zinc/50/04/25/1317500425.db2.gz GIOCPQYORDTLNM-KTKRTIGZSA-N -1 0 348.358 3.475 20 30 EGEDRM O=C([O-])c1cccc(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000806558985 1317500872 /nfs/dbraw/zinc/50/08/72/1317500872.db2.gz REWQVYOCEZJNOC-ALCCZGGFSA-N -1 0 342.263 3.097 20 30 EGEDRM Cc1ccccc1-n1cc(/C=C/C(=O)c2ccc(CC(=O)[O-])cc2)nn1 ZINC000806571835 1317503335 /nfs/dbraw/zinc/50/33/35/1317503335.db2.gz OMDYRQDVORXWJA-ZHACJKMWSA-N -1 0 347.374 3.099 20 30 EGEDRM O=C(/C=C\c1cc(F)c([O-])c(F)c1)c1cccc(-n2ccnn2)c1 ZINC000806576266 1317505478 /nfs/dbraw/zinc/50/54/78/1317505478.db2.gz YIQNEFNOKZQWGC-PLNGDYQASA-N -1 0 327.290 3.147 20 30 EGEDRM CC(=NNc1ccc([N+](=O)[O-])cc1C)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000807989338 1317607806 /nfs/dbraw/zinc/60/78/06/1317607806.db2.gz GPSPETLIMMBVAL-UHFFFAOYSA-N -1 0 330.300 3.353 20 30 EGEDRM C[C@]1(CS(=O)(=O)[N-]c2ccc(F)cc2C#N)CC1(Cl)Cl ZINC000903105567 1317655057 /nfs/dbraw/zinc/65/50/57/1317655057.db2.gz DYKUYSZCEGHFBY-LLVKDONJSA-N -1 0 337.203 3.023 20 30 EGEDRM COCc1cccc(S(=O)(=O)[N-]c2sc3c(c2C#N)CCC3)c1 ZINC000906072317 1318034146 /nfs/dbraw/zinc/03/41/46/1318034146.db2.gz IKWSJPZCKDEJNL-UHFFFAOYSA-N -1 0 348.449 3.056 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)CCc2ccc(C)c(Cl)c2)CC1 ZINC000810987367 1318087809 /nfs/dbraw/zinc/08/78/09/1318087809.db2.gz KBTMGPVUHKXCQF-UHFFFAOYSA-N -1 0 341.860 3.136 20 30 EGEDRM C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1sc(C)cc1C ZINC000814211589 1318702212 /nfs/dbraw/zinc/70/22/12/1318702212.db2.gz JRQRBBJFLCIMCB-UHFFFAOYSA-N -1 0 339.413 3.317 20 30 EGEDRM CC(=NNC(=S)NCc1ccccc1)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C ZINC000814715019 1318803202 /nfs/dbraw/zinc/80/32/02/1318803202.db2.gz XMVRDOJKANOALV-CABCVRRESA-N -1 0 347.484 3.164 20 30 EGEDRM C[C@H]1C(=NNC(=S)Nc2ccccc2)CC[C@@H](C(=O)[O-])C1(C)C ZINC000814714181 1318803291 /nfs/dbraw/zinc/80/32/91/1318803291.db2.gz VJAYVORYNWXPOM-AAEUAGOBSA-N -1 0 333.457 3.486 20 30 EGEDRM CCC(=NNc1[n-]cnc2ncnc1-2)c1ccccc1OC(F)F ZINC000814812040 1318822327 /nfs/dbraw/zinc/82/23/27/1318822327.db2.gz FAWGHOMZEGSQCT-UHFFFAOYSA-N -1 0 332.314 3.181 20 30 EGEDRM CC(=NNCCCc1ccccc1)c1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000814837850 1318828073 /nfs/dbraw/zinc/82/80/73/1318828073.db2.gz OCNUJNWKZCDMRB-INIZCTEOSA-N -1 0 340.423 3.485 20 30 EGEDRM CC(CCc1ccc(O[C@@H](C)C(=O)[O-])cc1)=NO[C@@H]1CCCCO1 ZINC000814886873 1318839169 /nfs/dbraw/zinc/83/91/69/1318839169.db2.gz FYIPWISJZJEQKN-WMLDXEAASA-N -1 0 335.400 3.390 20 30 EGEDRM CC(CCc1ccc(OCCC(=O)[O-])cc1)=NOC1CCOCC1 ZINC000814906190 1318843815 /nfs/dbraw/zinc/84/38/15/1318843815.db2.gz KFTXNACERPNABJ-UHFFFAOYSA-N -1 0 335.400 3.044 20 30 EGEDRM O=C([O-])c1cccc(C=NNc2ccc3c(=O)[nH]ccc3c2)c1Cl ZINC000814924700 1318849816 /nfs/dbraw/zinc/84/98/16/1318849816.db2.gz XUHLDDQDOLFQSJ-UHFFFAOYSA-N -1 0 341.754 3.326 20 30 EGEDRM C[C@@H](COc1ccccc1)NN=Cc1cccc(C(=O)[O-])c1Cl ZINC000814933890 1318853458 /nfs/dbraw/zinc/85/34/58/1318853458.db2.gz DPSBDIYERASXEE-LBPRGKRZSA-N -1 0 332.787 3.429 20 30 EGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cnc2c(F)ccc(F)c2c1 ZINC000815905393 1319071698 /nfs/dbraw/zinc/07/16/98/1319071698.db2.gz LQBXOLSDQCIOGC-ZDUSSCGKSA-N -1 0 345.349 3.142 20 30 EGEDRM CC(C)[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1ccc(C#N)cc1 ZINC000816108877 1319102888 /nfs/dbraw/zinc/10/28/88/1319102888.db2.gz QEFZLOZFMIPINX-KRWDZBQOSA-N -1 0 342.420 3.015 20 30 EGEDRM O=[N+]([O-])c1ccc([O-])c(C=NNCc2ccc(C(F)(F)F)cc2)c1 ZINC000915972276 1319575366 /nfs/dbraw/zinc/57/53/66/1319575366.db2.gz KLLGZJAPSCOOHV-UHFFFAOYSA-N -1 0 339.273 3.443 20 30 EGEDRM COc1ccc(C(=O)/C=C/c2cc(F)ccc2F)cc1CC(=O)[O-] ZINC000915985091 1319578833 /nfs/dbraw/zinc/57/88/33/1319578833.db2.gz IESKSRMLNLGNLI-QHHAFSJGSA-N -1 0 332.302 3.497 20 30 EGEDRM C=CCOc1ccc(C=NNc2cccc(C(=O)[O-])c2)cc1OC ZINC000916255326 1319626652 /nfs/dbraw/zinc/62/66/52/1319626652.db2.gz RQJRPFHXDQUHSS-UHFFFAOYSA-N -1 0 326.352 3.404 20 30 EGEDRM CCC(=NNc1nnc(C)c(=O)[n-]1)c1ccc(Cl)c(Cl)c1 ZINC000916284044 1319633114 /nfs/dbraw/zinc/63/31/14/1319633114.db2.gz IOWQFHNDYBPCMK-UHFFFAOYSA-N -1 0 326.187 3.419 20 30 EGEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1ccc2c(c1)-c1ccccc1C2 ZINC000916871866 1319717026 /nfs/dbraw/zinc/71/70/26/1319717026.db2.gz VBSOXBOVBSDNQQ-LJQANCHMSA-N -1 0 330.387 3.203 20 30 EGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)C[C@H](C)n1cccn1 ZINC000819937720 1319807390 /nfs/dbraw/zinc/80/73/90/1319807390.db2.gz VLUJABKRXOLOBS-WFASDCNBSA-N -1 0 334.379 3.216 20 30 EGEDRM C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)Cc1c(F)cccc1Cl ZINC000821370921 1320010011 /nfs/dbraw/zinc/01/00/11/1320010011.db2.gz SDXFALOMVUOKHG-UHFFFAOYSA-N -1 0 333.812 3.027 20 30 EGEDRM N#CC[C@@H]1CCCN(C(=O)c2ccc(-c3ccc(C=O)o3)cc2[O-])C1 ZINC000824380446 1320252939 /nfs/dbraw/zinc/25/29/39/1320252939.db2.gz RVACOKRTNMZTIB-ZDUSSCGKSA-N -1 0 338.363 3.231 20 30 EGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CCc1ccnc(C)n1 ZINC000842681338 1321418254 /nfs/dbraw/zinc/41/82/54/1321418254.db2.gz BIUJWZZVJLDAGC-MRXNPFEDSA-N -1 0 346.390 3.099 20 30 EGEDRM CC(C)CCOc1ccc(S(=O)(=O)[N-]c2cccc(C#N)n2)cc1 ZINC000842821169 1321435861 /nfs/dbraw/zinc/43/58/61/1321435861.db2.gz SSQQKRHWQODJEW-UHFFFAOYSA-N -1 0 345.424 3.179 20 30 EGEDRM C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cccc(Cl)c1SC(C)C ZINC000846154697 1321772704 /nfs/dbraw/zinc/77/27/04/1321772704.db2.gz PPZMNZOWFGATJX-SNVBAGLBSA-N -1 0 342.848 3.401 20 30 EGEDRM C=C(C)CO[N-]C(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1C ZINC000846533916 1321790827 /nfs/dbraw/zinc/79/08/27/1321790827.db2.gz HQORCNOCVRNRDL-HNNXBMFYSA-N -1 0 334.416 3.185 20 30 EGEDRM CCCC[C@](C)(F)C(=O)OCC([O-])=C(C#N)c1nc(C)cs1 ZINC000849847543 1322155529 /nfs/dbraw/zinc/15/55/29/1322155529.db2.gz YLCIDUYZEILBHJ-ABAIWWIYSA-N -1 0 326.393 3.089 20 30 EGEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1cccc(N2CCCC2)c1 ZINC000850756566 1322284858 /nfs/dbraw/zinc/28/48/58/1322284858.db2.gz BJNUKXFCLPLSGT-GOSISDBHSA-N -1 0 339.439 3.058 20 30 EGEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2ccc(C3CC3)cc2)cc1 ZINC000850767594 1322285495 /nfs/dbraw/zinc/28/54/95/1322285495.db2.gz NNKIHTSZFMDJOD-IBGZPJMESA-N -1 0 348.402 3.211 20 30 EGEDRM C=CCn1c(=O)c2ccc(C(=O)NCC[C@@H](C)CC)cc2[n-]c1=S ZINC000855387112 1325376043 /nfs/dbraw/zinc/37/60/43/1325376043.db2.gz BRGNWHFCEZCBQY-LBPRGKRZSA-N -1 0 345.468 3.037 20 30 EGEDRM C=CCCO[N-]C(=O)[C@@H](C)Oc1ccc(Cl)cc1Br ZINC000856029728 1325440666 /nfs/dbraw/zinc/44/06/66/1325440666.db2.gz AMNYOIUDAQFRCI-SECBINFHSA-N -1 0 348.624 3.494 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]C(=O)/C=C/c2ccc(SC)s2)CC1 ZINC000860772144 1329353879 /nfs/dbraw/zinc/35/38/79/1329353879.db2.gz QEKVZHCQQRTSQG-GQCTYLIASA-N -1 0 343.495 3.038 20 30 EGEDRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CCC[C@@H](C#N)C3)n2)c1 ZINC000928216447 1328239829 /nfs/dbraw/zinc/23/98/29/1328239829.db2.gz DSVZEXFSRHOZBC-AWEZNQCLSA-N -1 0 338.411 3.077 20 30 EGEDRM C=CC[C@H](NC(=O)N1CCC[C@]1(CCC)C(=O)[O-])c1ccncc1 ZINC000929032730 1328492695 /nfs/dbraw/zinc/49/26/95/1328492695.db2.gz HTPJFELILBVRGU-MAUKXSAKSA-N -1 0 331.416 3.128 20 30 EGEDRM CCCCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)c1ccccc1C#N ZINC001322941110 1387254513 /nfs/dbraw/zinc/25/45/13/1387254513.db2.gz GOBQYNPFBXIKET-CQSZACIVSA-N -1 0 336.457 3.360 20 30 EGEDRM Cc1ccc(C[N-]C(=O)C(F)(F)OCC(F)(F)F)c(F)c1F ZINC001183195480 1387276580 /nfs/dbraw/zinc/27/65/80/1387276580.db2.gz YOBKZERCEPQTRF-UHFFFAOYSA-N -1 0 333.203 3.061 20 30 EGEDRM O=C(CCC(=O)C1=CC=C[CH]1)Nc1ccncc1Oc1ccccc1 ZINC001184240241 1387418797 /nfs/dbraw/zinc/41/87/97/1387418797.db2.gz CWOHBNISBVOOOQ-UHFFFAOYSA-N -1 0 333.367 3.284 20 30 EGEDRM O=C(CCC(=O)C1=CC=C[CH]1)NCc1nc(-c2ccccc2)cs1 ZINC001184246028 1387419624 /nfs/dbraw/zinc/41/96/24/1387419624.db2.gz IPGFXBXFOUVSPV-UHFFFAOYSA-N -1 0 337.424 3.476 20 30 EGEDRM CCOC(=O)COc1ccc(/C=C\C(=O)c2ccccc2[O-])cc1 ZINC001323769308 1387446077 /nfs/dbraw/zinc/44/60/77/1387446077.db2.gz BAUOODPIFMUGPV-XFXZXTDPSA-N -1 0 326.348 3.230 20 30 EGEDRM N#Cc1ccc(NC(=O)Nc2ncc(Br)cc2[O-])cc1 ZINC001184710827 1387516131 /nfs/dbraw/zinc/51/61/31/1387516131.db2.gz LAANDRMJOUHNGA-UHFFFAOYSA-N -1 0 333.145 3.065 20 30 EGEDRM Cc1cc(C#N)c([N-]S(=O)(=O)c2ccc3n[nH]cc3c2)cc1Cl ZINC001185998676 1387844145 /nfs/dbraw/zinc/84/41/45/1387844145.db2.gz BSWQLLMZROTDSK-UHFFFAOYSA-N -1 0 346.799 3.197 20 30 EGEDRM O=C(NC1=CC(=O)CCC1)c1cc(Br)ccc1[S-] ZINC001189961011 1367141466 /nfs/dbraw/zinc/14/14/66/1367141466.db2.gz GVOFKSLZSYJQGX-UHFFFAOYSA-N -1 0 326.215 3.105 20 30 EGEDRM N#CCc1cc(NC(=O)c2cnc(-c3ccccc3)[nH]c2=O)ccc1F ZINC001190268448 1367212714 /nfs/dbraw/zinc/21/27/14/1367212714.db2.gz ZACNWSCFITXUCS-UHFFFAOYSA-N -1 0 348.337 3.307 20 30 EGEDRM Cc1cc(C#N)c([N-]S(=O)(=O)c2cc(F)cc(F)c2F)s1 ZINC001190354213 1367236799 /nfs/dbraw/zinc/23/67/99/1367236799.db2.gz YZWACTJAFKBHAY-UHFFFAOYSA-N -1 0 332.328 3.146 20 30 EGEDRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(C#N)nc2)cc1 ZINC001190423045 1367261425 /nfs/dbraw/zinc/26/14/25/1367261425.db2.gz CAOYIJIQIBTAMW-UHFFFAOYSA-N -1 0 329.425 3.442 20 30 EGEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(O)c3ccccc23)c1 ZINC001190647734 1367315120 /nfs/dbraw/zinc/31/51/20/1367315120.db2.gz IYELTBVCDQJHKQ-UHFFFAOYSA-N -1 0 342.351 3.357 20 30 EGEDRM C=CCC1(S(=O)(=O)[N-]c2cc(-c3cccc(OC)c3)no2)CC1 ZINC001190765753 1367345928 /nfs/dbraw/zinc/34/59/28/1367345928.db2.gz DMGVKXOZVLQNIK-UHFFFAOYSA-N -1 0 334.397 3.201 20 30 EGEDRM C#Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(C)=O)c(Cl)c1 ZINC001186100574 1387870348 /nfs/dbraw/zinc/87/03/48/1387870348.db2.gz VFLCONQZBOJFIO-UHFFFAOYSA-N -1 0 348.811 3.081 20 30 EGEDRM Cc1cc(Cl)nc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC001190939206 1367386749 /nfs/dbraw/zinc/38/67/49/1367386749.db2.gz UJSLNLSILYEEHS-UHFFFAOYSA-N -1 0 342.207 3.369 20 30 EGEDRM CCc1nccc(C)c1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC001190942739 1367387441 /nfs/dbraw/zinc/38/74/41/1367387441.db2.gz MHNYUVMEEHLEDJ-UHFFFAOYSA-N -1 0 335.816 3.278 20 30 EGEDRM CCCCc1ccc(S(=O)(=O)[N-]c2c(C)ccnc2C#N)cc1 ZINC001191233294 1367453829 /nfs/dbraw/zinc/45/38/29/1367453829.db2.gz RNXAPIGQKLPFQD-UHFFFAOYSA-N -1 0 329.425 3.405 20 30 EGEDRM N#Cc1cc(F)c([N-]C(=O)c2cnc(Br)o2)c(Cl)c1 ZINC001191725788 1367571812 /nfs/dbraw/zinc/57/18/12/1367571812.db2.gz LIVJZSOMWSMRRN-UHFFFAOYSA-N -1 0 344.527 3.354 20 30 EGEDRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1cc(OC)ccc1C#N ZINC001191821805 1367602192 /nfs/dbraw/zinc/60/21/92/1367602192.db2.gz PJPFSJHOWNWFSG-UHFFFAOYSA-N -1 0 346.408 3.075 20 30 EGEDRM Cc1cc(C#N)c([N-]S(=O)(=O)c2cnc(Cl)c(C)c2)s1 ZINC001192529941 1367806696 /nfs/dbraw/zinc/80/66/96/1367806696.db2.gz UTQOFYBURZMDHH-UHFFFAOYSA-N -1 0 327.818 3.086 20 30 EGEDRM N#Cc1ncc(NC(=O)c2cc(F)c([O-])cc2F)cc1C(F)(F)F ZINC001192852655 1367888292 /nfs/dbraw/zinc/88/82/92/1367888292.db2.gz JALBHYCBINAPRQ-UHFFFAOYSA-N -1 0 343.211 3.208 20 30 EGEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1cn(Cc2ccccc2)c2ccccc12 ZINC001193105981 1367945563 /nfs/dbraw/zinc/94/55/63/1367945563.db2.gz AEZLNCGNINMZGO-AWEZNQCLSA-N -1 0 339.420 3.343 20 30 EGEDRM C[C@H](C#N)S(=O)(=O)[N-]c1cc(-c2cccc(C(F)(F)F)c2)no1 ZINC001193104727 1367945579 /nfs/dbraw/zinc/94/55/79/1367945579.db2.gz MIMGKMHGSUJNFU-MRVPVSSYSA-N -1 0 345.302 3.014 20 30 EGEDRM Cc1cc(C)cc(C(=O)c2ccccc2[N-]S(=O)(=O)[C@H](C)C#N)c1 ZINC001193160309 1367956743 /nfs/dbraw/zinc/95/67/43/1367956743.db2.gz BVEVZCRWGBYYLD-CQSZACIVSA-N -1 0 342.420 3.188 20 30 EGEDRM N#Cc1cccc(C(=O)N2CCOC[C@H]2c2ccc(Cl)cc2)c1[O-] ZINC001193646376 1368083159 /nfs/dbraw/zinc/08/31/59/1368083159.db2.gz INPCOWPSHLQFET-INIZCTEOSA-N -1 0 342.782 3.131 20 30 EGEDRM N#Cc1cnnc(-c2ccccc2)c1NC(=O)c1ccc([O-])cc1F ZINC001186318673 1387920526 /nfs/dbraw/zinc/92/05/26/1387920526.db2.gz PDYVWIQZQOLCLF-UHFFFAOYSA-N -1 0 334.310 3.112 20 30 EGEDRM N#Cc1cncc([N-]S(=O)(=O)c2ccc(-c3cccs3)cc2)c1 ZINC001194141328 1368191179 /nfs/dbraw/zinc/19/11/79/1368191179.db2.gz CYIHNVQTIAQHAM-UHFFFAOYSA-N -1 0 341.417 3.483 20 30 EGEDRM Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)Nc1cccc(CC#N)c1 ZINC001194268621 1368219586 /nfs/dbraw/zinc/21/95/86/1368219586.db2.gz ATSJQSOKBYESLX-UHFFFAOYSA-N -1 0 332.363 3.205 20 30 EGEDRM C#Cc1cc([N-]S(=O)(=O)c2cccc3c(Cl)cccc32)ccn1 ZINC001194403297 1368253309 /nfs/dbraw/zinc/25/33/09/1368253309.db2.gz IBPDAELACWSSFM-UHFFFAOYSA-N -1 0 342.807 3.092 20 30 EGEDRM C[C@@H](C#N)c1ccc([N-]S(=O)(=O)c2cccc3nccnc32)cc1 ZINC001194977500 1368355319 /nfs/dbraw/zinc/35/53/19/1368355319.db2.gz YUBOZSRWRNMFJI-LBPRGKRZSA-N -1 0 338.392 3.058 20 30 EGEDRM N#Cc1ccc(C(=O)NCc2ccccc2OC(F)(F)F)c([O-])c1 ZINC001195733957 1368479768 /nfs/dbraw/zinc/47/97/68/1368479768.db2.gz ZZBOHQCZBJHKKM-UHFFFAOYSA-N -1 0 336.269 3.092 20 30 EGEDRM Cc1nc(C#N)c([N-]S(=O)(=O)c2ccc3cc(Cl)ccc3c2)o1 ZINC001196417360 1368610927 /nfs/dbraw/zinc/61/09/27/1368610927.db2.gz VSBRBKWPPZSUHP-UHFFFAOYSA-N -1 0 347.783 3.462 20 30 EGEDRM COc1c(F)cccc1[N-]S(=O)(=O)c1cc(Cl)ccc1C#N ZINC001196640049 1368654570 /nfs/dbraw/zinc/65/45/70/1368654570.db2.gz ZSAINOGIZGAORZ-UHFFFAOYSA-N -1 0 340.763 3.160 20 30 EGEDRM CCCCCCCC(=O)c1ccc([O-])c(C(=O)Nc2ncn(C)n2)c1 ZINC001197358115 1368796506 /nfs/dbraw/zinc/79/65/06/1368796506.db2.gz OZJLHXHSOMTCQG-UHFFFAOYSA-N -1 0 344.415 3.316 20 30 EGEDRM COc1cccc(CS(=O)(=O)[N-]c2cccc(Cl)c2C#N)c1 ZINC001197382929 1368802922 /nfs/dbraw/zinc/80/29/22/1368802922.db2.gz VMVWLIHCLHVNCI-UHFFFAOYSA-N -1 0 336.800 3.162 20 30 EGEDRM N#Cc1cccc([N-]S(=O)(=O)Cc2cc(Cl)ccc2Cl)n1 ZINC001197504686 1368828766 /nfs/dbraw/zinc/82/87/66/1368828766.db2.gz LEYUBKXJMZYNGK-UHFFFAOYSA-N -1 0 342.207 3.202 20 30 EGEDRM Cc1coc([N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)c1C#N ZINC001197649926 1368864429 /nfs/dbraw/zinc/86/44/29/1368864429.db2.gz WWTUQKXZCJQFEH-UHFFFAOYSA-N -1 0 328.752 3.194 20 30 EGEDRM N#Cc1cccc(C#N)c1[N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC001197673436 1368870753 /nfs/dbraw/zinc/87/07/53/1368870753.db2.gz UZWQBIARAISQLQ-UHFFFAOYSA-N -1 0 349.774 3.164 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2sc3ccccc3c2C#N)cn1 ZINC001198276949 1368995892 /nfs/dbraw/zinc/99/58/92/1368995892.db2.gz ZIDZUPQKMGABKN-UHFFFAOYSA-N -1 0 329.406 3.277 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2c(C#N)cccc2C(F)(F)F)cn1 ZINC001198314947 1369007753 /nfs/dbraw/zinc/00/77/53/1369007753.db2.gz MMYUBVISOGLMOZ-UHFFFAOYSA-N -1 0 341.314 3.081 20 30 EGEDRM N#Cc1ncc(Cl)cc1[N-]S(=O)(=O)c1ccc2occc2c1 ZINC001198829967 1369124974 /nfs/dbraw/zinc/12/49/74/1369124974.db2.gz XXJDXDKOZIIQKW-UHFFFAOYSA-N -1 0 333.756 3.154 20 30 EGEDRM N#Cc1c(F)ccc(F)c1[N-]S(=O)(=O)c1ccc2occc2c1 ZINC001198870279 1369135533 /nfs/dbraw/zinc/13/55/33/1369135533.db2.gz LTPUDCSSJVBECC-UHFFFAOYSA-N -1 0 334.303 3.383 20 30 EGEDRM Cc1ccc(S(=O)(=O)[N-]c2cccc3ncsc32)cc1C#N ZINC001201316875 1369517110 /nfs/dbraw/zinc/51/71/10/1369517110.db2.gz GDPLRWJGOUTEDQ-UHFFFAOYSA-N -1 0 329.406 3.277 20 30 EGEDRM CC(=O)c1c(F)cccc1[N-]S(=O)(=O)c1ccc(C)c(C#N)c1 ZINC001201320457 1369519201 /nfs/dbraw/zinc/51/92/01/1369519201.db2.gz ZVJNWSKCNUXEEN-UHFFFAOYSA-N -1 0 332.356 3.009 20 30 EGEDRM CCOc1c(F)cccc1[N-]S(=O)(=O)c1ccc(C)c(C#N)c1 ZINC001201323000 1369520189 /nfs/dbraw/zinc/52/01/89/1369520189.db2.gz WGFPHDLMGBXOGC-UHFFFAOYSA-N -1 0 334.372 3.205 20 30 EGEDRM C=CC[C@H](NC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC001116922559 1371001330 /nfs/dbraw/zinc/00/13/30/1371001330.db2.gz UXKIGNJYNKPGAA-GVXVVHGQSA-N -1 0 328.195 3.242 20 30 EGEDRM COc1ccc(Nc2ccc(C#N)nc2Br)cc1C(=O)[O-] ZINC001209896569 1372226090 /nfs/dbraw/zinc/22/60/90/1372226090.db2.gz JDMKEBWSBORJFK-UHFFFAOYSA-N -1 0 348.156 3.166 20 30 EGEDRM N#CC(=C([O-])c1cnc2ccsc2c1)c1nc(N)c2ccccc2n1 ZINC001122498020 1372260964 /nfs/dbraw/zinc/26/09/64/1372260964.db2.gz JZSUALBAGZTWHR-LBPRGKRZSA-N -1 0 345.387 3.312 20 30 EGEDRM N#Cc1cnn(-c2ccc(F)cc2)c1Nc1cccc(CC(=O)[O-])c1 ZINC001210068939 1372265753 /nfs/dbraw/zinc/26/57/53/1372265753.db2.gz HLCKIFFNLQFLJX-UHFFFAOYSA-N -1 0 336.326 3.254 20 30 EGEDRM Cc1oc(Br)cc1C([O-])=C(C#N)c1ncc(Cl)n1C ZINC001123232858 1372403422 /nfs/dbraw/zinc/40/34/22/1372403422.db2.gz CSBDGUSMRMLEOZ-QMMMGPOBSA-N -1 0 342.580 3.228 20 30 EGEDRM N#Cc1cnn(-c2ccccn2)c1Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001211961159 1372641130 /nfs/dbraw/zinc/64/11/30/1372641130.db2.gz XSOJPXBUGRDUQA-UHFFFAOYSA-N -1 0 339.742 3.234 20 30 EGEDRM N#Cc1ccc(F)c(-c2noc(C(=O)[N-]c3c(F)cccc3F)n2)c1 ZINC001212170490 1372666388 /nfs/dbraw/zinc/66/63/88/1372666388.db2.gz COLAZPBNTTVERY-UHFFFAOYSA-N -1 0 344.252 3.278 20 30 EGEDRM CCCCCCCCS(=O)(=O)[N-]c1c(O)cccc1C(=O)OC ZINC001188018126 1388216502 /nfs/dbraw/zinc/21/65/02/1388216502.db2.gz VBHHVJOLCZIUEV-UHFFFAOYSA-N -1 0 343.445 3.281 20 30 EGEDRM Cc1cc(-c2noc(-c3cc(=O)n(-c4ccccc4)[n-]3)n2)ccc1C#N ZINC001212602155 1372735925 /nfs/dbraw/zinc/73/59/25/1372735925.db2.gz KPVWTTSQBVCHFS-UHFFFAOYSA-N -1 0 343.346 3.058 20 30 EGEDRM COc1cc(Nc2cc(Br)cnc2C#N)cc(C(=O)[O-])c1 ZINC001213584927 1372929969 /nfs/dbraw/zinc/92/99/69/1372929969.db2.gz KHNDJUQJVFRRIJ-UHFFFAOYSA-N -1 0 348.156 3.166 20 30 EGEDRM C#Cc1cc([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)ccc1F ZINC001188069092 1388234657 /nfs/dbraw/zinc/23/46/57/1388234657.db2.gz NNUCHISMZIEEMB-UHFFFAOYSA-N -1 0 345.182 3.310 20 30 EGEDRM COC(=O)c1cc(C#N)cc(C)c1Nc1c(F)cc(C(=O)[O-])cc1F ZINC001215616234 1373218414 /nfs/dbraw/zinc/21/84/14/1373218414.db2.gz OFXBPLNUWIMCQJ-UHFFFAOYSA-N -1 0 346.289 3.373 20 30 EGEDRM COc1c(F)ccc(-c2noc(-c3cccc(C#N)c3[O-])n2)c1F ZINC001216979591 1373374713 /nfs/dbraw/zinc/37/47/13/1373374713.db2.gz DCRYIKRKAJVTET-UHFFFAOYSA-N -1 0 329.262 3.268 20 30 EGEDRM COc1ccc2c(c1)[n-]cc(-c1nc(-c3cccc(C#N)c3)no1)c2=O ZINC001217336914 1373427828 /nfs/dbraw/zinc/42/78/28/1373427828.db2.gz GOMIDNVYYMWRMX-UHFFFAOYSA-N -1 0 344.330 3.125 20 30 EGEDRM N#Cc1cc(NC(=O)c2c(N)sc3c2CCCC3)c([O-])cc1F ZINC001219068165 1373685125 /nfs/dbraw/zinc/68/51/25/1373685125.db2.gz JWVKIXXKUODLAY-UHFFFAOYSA-N -1 0 331.372 3.178 20 30 EGEDRM C[C@@H](COc1ccccc1)OCCCOc1[n-]c(=O)c(F)cc1C#N ZINC001226008609 1375189544 /nfs/dbraw/zinc/18/95/44/1375189544.db2.gz KGYSFCSGJPZBCR-ZDUSSCGKSA-N -1 0 346.358 3.051 20 30 EGEDRM N#Cc1cc(F)c(=O)[n-]c1O[C@@H]1Cc2ccc(Br)cc2C1 ZINC001226009734 1375189559 /nfs/dbraw/zinc/18/95/59/1375189559.db2.gz AFCGTDUJMBLMGG-GFCCVEGCSA-N -1 0 349.159 3.107 20 30 EGEDRM N#Cc1cc(F)c(=O)[n-]c1O[C@@H](c1ccccc1)C1CCOCC1 ZINC001226009039 1375189592 /nfs/dbraw/zinc/18/95/92/1375189592.db2.gz QSQWUTCDBBMMRE-INIZCTEOSA-N -1 0 328.343 3.345 20 30 EGEDRM C#C[C@H](CCCC)Oc1cc2cc(S(=O)(=O)[O-])ccc2cc1O ZINC001227639235 1375458437 /nfs/dbraw/zinc/45/84/37/1375458437.db2.gz HFHOLIBLDKASBY-CQSZACIVSA-N -1 0 334.393 3.363 20 30 EGEDRM C=CCOC[C@H](CS(=O)(=O)[O-])Oc1c(C)cccc1C(C)(C)C ZINC001227992018 1375500035 /nfs/dbraw/zinc/50/00/35/1375500035.db2.gz KFSOSSOWWOHZST-CQSZACIVSA-N -1 0 342.457 3.130 20 30 EGEDRM COC(=O)c1cc([N+](=O)[O-])c(O[C@H](C)c2ccccc2C#N)cc1[O-] ZINC001228813617 1375686520 /nfs/dbraw/zinc/68/65/20/1375686520.db2.gz DPJSRRZPIXEUPV-SNVBAGLBSA-N -1 0 342.307 3.099 20 30 EGEDRM N#Cc1ccc(=O)[n-]c1O[C@@H]1CCc2cc(Br)ccc21 ZINC001228898256 1375709453 /nfs/dbraw/zinc/70/94/53/1375709453.db2.gz DYDKFMBXENMQSA-CYBMUJFWSA-N -1 0 331.169 3.488 20 30 EGEDRM CCC1=C(Oc2cccc3c2cccc3S(=O)(=O)[O-])C(=O)[C@@H](C)O1 ZINC001229354908 1375817024 /nfs/dbraw/zinc/81/70/24/1375817024.db2.gz ANSGELHJWKREJF-SNVBAGLBSA-N -1 0 348.376 3.075 20 30 EGEDRM COc1cc(/C=N/O)ccc1O[C@@H]1CCCN(c2ccc(C)cn2)C1 ZINC001233804393 1376721611 /nfs/dbraw/zinc/72/16/11/1376721611.db2.gz YZIGXYKKSUENCF-SVZNOHIVSA-N -1 0 341.411 3.255 20 30 EGEDRM C=CCNC(=O)c1ccc(-c2ccc(C(=O)[O-])c(C)c2Cl)nc1 ZINC001236114912 1376933897 /nfs/dbraw/zinc/93/38/97/1376933897.db2.gz LTFZXDCQTCRLKH-UHFFFAOYSA-N -1 0 330.771 3.324 20 30 EGEDRM CC(C)(C)OC(=O)[C@@H](C#N)c1nccnc1-c1cc(F)cc(F)c1[O-] ZINC001243501633 1377031922 /nfs/dbraw/zinc/03/19/22/1377031922.db2.gz MCXDAOIUZHHKRK-NSHDSACASA-N -1 0 347.321 3.076 20 30 EGEDRM C=CCN1CCN(Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC001141371341 1378313129 /nfs/dbraw/zinc/31/31/29/1378313129.db2.gz UFDXBVKZIBJSBX-UHFFFAOYSA-N -1 0 345.668 3.112 20 30 EGEDRM Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccc(O)c(C#N)c1 ZINC001147954029 1379101573 /nfs/dbraw/zinc/10/15/73/1379101573.db2.gz BLBWJQUONATGIF-UHFFFAOYSA-N -1 0 336.376 3.343 20 30 EGEDRM C#C[C@H](CCC)NC(=O)N(CCC)Cc1nc(=O)c2sccc2[n-]1 ZINC001327732551 1388591198 /nfs/dbraw/zinc/59/11/98/1388591198.db2.gz AVHMXCCRSJSENY-GFCCVEGCSA-N -1 0 346.456 3.120 20 30 EGEDRM N#Cc1ccc(CC2CCN(C(=O)c3cccc(O)c3O)CC2)cc1 ZINC001148213830 1379134332 /nfs/dbraw/zinc/13/43/32/1379134332.db2.gz KKZLLEPMNHJEKN-UHFFFAOYSA-N -1 0 336.391 3.064 20 30 EGEDRM COc1ccc2ncc([O-])c(C(=O)Nc3ccsc3C#N)c2c1 ZINC001154506799 1380293572 /nfs/dbraw/zinc/29/35/72/1380293572.db2.gz JBYLUAGYHAQILR-UHFFFAOYSA-N -1 0 325.349 3.134 20 30 EGEDRM Cc1nc(-c2ccc(C)cc2)sc1C(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC001163743293 1383116930 /nfs/dbraw/zinc/11/69/30/1383116930.db2.gz GYQNJJDJARUGKW-UHFFFAOYSA-N -1 0 348.391 3.146 20 30 EGEDRM O=C([O-])c1cc(Br)ccc1NC=CC(=O)C(F)(F)F ZINC001169474888 1384151736 /nfs/dbraw/zinc/15/17/36/1384151736.db2.gz CTWPZUCOYOCRRI-ONEGZZNKSA-N -1 0 338.079 3.204 20 30 EGEDRM N#Cc1ncc(Br)cc1Nc1ccc(F)c(C(=O)[O-])c1 ZINC001175216202 1385222693 /nfs/dbraw/zinc/22/26/93/1385222693.db2.gz WWGIGGPSFJKWDE-UHFFFAOYSA-N -1 0 336.120 3.297 20 30 EGEDRM COc1ccc(C#N)cc1NC(=O)c1cccc(Br)c1[O-] ZINC001319723816 1386268787 /nfs/dbraw/zinc/26/87/87/1386268787.db2.gz NRKNNBJGYKXPSO-UHFFFAOYSA-N -1 0 347.168 3.287 20 30 EGEDRM N#Cc1cc(NC(=O)Cc2ccc(F)cc2Br)ccc1O ZINC001179627697 1386534813 /nfs/dbraw/zinc/53/48/13/1386534813.db2.gz SFOYISDLKCABIG-UHFFFAOYSA-N -1 0 349.159 3.347 20 30 EGEDRM C=CC[C@@H](NC(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001321166192 1386827589 /nfs/dbraw/zinc/82/75/89/1386827589.db2.gz AYVDCILGJMOLEU-ZWNOBZJWSA-N -1 0 329.318 3.345 20 30 EGEDRM C=CC[C@@H](NC(=O)/C=C(\C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC001321205937 1386840534 /nfs/dbraw/zinc/84/05/34/1386840534.db2.gz ABACVRTXHZTJOJ-AORWBKJGSA-N -1 0 327.302 3.254 20 30 EGEDRM C=CC[C@@H](NC(=O)c1c(C)onc1-c1ccccc1Cl)C(=O)[O-] ZINC001321658156 1386950882 /nfs/dbraw/zinc/95/08/82/1386950882.db2.gz PLBVNVLAPLGVSX-GFCCVEGCSA-N -1 0 334.759 3.063 20 30 EGEDRM N#Cc1cc(NC(=O)CCC(=O)c2ccc(F)cc2F)c([O-])cc1F ZINC001181466535 1386999102 /nfs/dbraw/zinc/99/91/02/1386999102.db2.gz LYUBNJMSBOOALQ-UHFFFAOYSA-N -1 0 348.280 3.283 20 30 EGEDRM CCn1c(-c2ccc(Cl)cc2O)nnc1N(CCC#N)CC1CC1 ZINC001339453316 1390033674 /nfs/dbraw/zinc/03/36/74/1390033674.db2.gz BLXUCNVGPSVBJV-UHFFFAOYSA-N -1 0 345.834 3.454 20 30 EGEDRM C=CCn1c(-c2cc(Cl)ncc2O)nnc1N1CCC(C=C)CC1 ZINC001340599540 1390324644 /nfs/dbraw/zinc/32/46/44/1390324644.db2.gz LXKSJRHRZJZSJQ-UHFFFAOYSA-N -1 0 345.834 3.288 20 30 EGEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1ccc(Cl)c2occc21 ZINC001342779502 1390653272 /nfs/dbraw/zinc/65/32/72/1390653272.db2.gz RTPOETNCMNQJLI-ZDUSSCGKSA-N -1 0 330.771 3.467 20 30 EGEDRM Cc1cc(C)n2ncc(C([O-])=C(C#N)c3nc4c(cccc4C)[nH]3)c2n1 ZINC001343348848 1390708689 /nfs/dbraw/zinc/70/86/89/1390708689.db2.gz STMSQAXPVRYCCK-ZDUSSCGKSA-N -1 0 344.378 3.021 20 30 EGEDRM COC(=O)Nc1ccc(C([O-])=C(C#N)c2nc(C)cs2)c(C)c1 ZINC001343390874 1390710647 /nfs/dbraw/zinc/71/06/47/1390710647.db2.gz YDYCMTGACQLPEA-ZDUSSCGKSA-N -1 0 329.381 3.428 20 30 EGEDRM C=CC[C@H](NC(=O)N[C@@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC001344466355 1390793037 /nfs/dbraw/zinc/79/30/37/1390793037.db2.gz ZVEFAYKGBLZMNT-CABZTGNLSA-N -1 0 330.306 3.095 20 30 EGEDRM N#CC(=C([O-])c1csc(Cl)c1)c1nc(N)c2ccccc2n1 ZINC001346065280 1390904667 /nfs/dbraw/zinc/90/46/67/1390904667.db2.gz RIVJGIPRHSPNJO-JTQLQIEISA-N -1 0 328.784 3.417 20 30 EGEDRM CSc1[n-]c(=O)c(C(=O)Nc2cccc(Cl)c2F)cc1C#N ZINC001348280882 1391198824 /nfs/dbraw/zinc/19/88/24/1391198824.db2.gz FNDLCNHNCIUJTE-UHFFFAOYSA-N -1 0 337.763 3.426 20 30 EGEDRM O=C1c2cccc(Cl)c2OC1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826475876 1427396890 /nfs/dbraw/zinc/39/68/90/1427396890.db2.gz UNRVZWFNMNPUCO-QPEQYQDCSA-N -1 0 342.717 3.275 20 30 EGEDRM CCC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)s1 ZINC000820832110 1428957504 /nfs/dbraw/zinc/95/75/04/1428957504.db2.gz HIVQGXHCCARXLV-UHFFFAOYSA-N -1 0 346.847 3.486 20 30 EGEDRM C=CCCCC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000819734121 1423672863 /nfs/dbraw/zinc/67/28/63/1423672863.db2.gz IYNXYEQLYOPAGT-UHFFFAOYSA-N -1 0 325.294 3.180 20 30 EGEDRM CC(N=Nc1c(F)cccc1F)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823953495 1424380660 /nfs/dbraw/zinc/38/06/60/1424380660.db2.gz CQJYDZBKBRJRDX-UHFFFAOYSA-N -1 0 332.289 3.120 20 30 EGEDRM C[C@@H]1c2c(c(O)ccc2F)C(=O)C1=Cc1ccccc1-c1nn[n-]n1 ZINC000824860733 1425103233 /nfs/dbraw/zinc/10/32/33/1425103233.db2.gz XLDPLHHBKFNNBQ-KWINOFQJSA-N -1 0 336.326 3.095 20 30 EGEDRM CC(=NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(N)cc1C ZINC000823958772 1425122840 /nfs/dbraw/zinc/12/28/40/1425122840.db2.gz VRUKDTTXBIYVQT-UHFFFAOYSA-N -1 0 341.806 3.247 20 30 EGEDRM COc1ccc(C=CC(=O)c2ccc(C)cc2C)cc1-c1nn[n-]n1 ZINC000737080553 1425169510 /nfs/dbraw/zinc/16/95/10/1425169510.db2.gz CPHCKKOEXPPITN-YVMONPNESA-N -1 0 334.379 3.388 20 30 EGEDRM Cc1ccc(C)c(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)c1 ZINC000737320440 1425220146 /nfs/dbraw/zinc/22/01/46/1425220146.db2.gz QYQKUFNOLNYIQK-SREVYHEPSA-N -1 0 344.378 3.027 20 30 EGEDRM COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc1C ZINC000826190923 1425234031 /nfs/dbraw/zinc/23/40/31/1425234031.db2.gz QYNUYHKLIBIOCN-HWKANZROSA-N -1 0 326.381 3.141 20 30 EGEDRM N#Cc1cc(Cl)ccc1NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822818525 1426462978 /nfs/dbraw/zinc/46/29/78/1426462978.db2.gz BJTWHZHWVTXXHE-UHFFFAOYSA-N -1 0 328.738 3.143 20 30 EGEDRM COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1F ZINC000826190867 1426614020 /nfs/dbraw/zinc/61/40/20/1426614020.db2.gz POFCTDCSJYIYQA-KXFIGUGUSA-N -1 0 342.305 3.050 20 30 EGEDRM N#CCC[C@@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC000826381474 1427142334 /nfs/dbraw/zinc/14/23/34/1427142334.db2.gz NDIHSTBTMPWNAL-CQSZACIVSA-N -1 0 339.790 3.372 20 30 EGEDRM Cc1c2c(nc(SCCC(C)(C)C#N)c1-c1nn[n-]n1)CCC2 ZINC000822128573 1429853144 /nfs/dbraw/zinc/85/31/44/1429853144.db2.gz DIVCTFINKJNUNX-UHFFFAOYSA-N -1 0 328.445 3.091 20 30 EGEDRM C[C@@H]1C[C@@H]1c1ccc(C=NNc2cc(-c3nnn[n-]3)cc(Cl)n2)o1 ZINC000824897829 1441566176 /nfs/dbraw/zinc/56/61/76/1441566176.db2.gz BNOIHFHNJVRNGV-KCJUWKMLSA-N -1 0 343.778 3.078 20 30 EGEDRM CCCCCCCC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825272175 1441775894 /nfs/dbraw/zinc/77/58/94/1441775894.db2.gz YEXQQMVTFZCUJE-UHFFFAOYSA-N -1 0 327.432 3.333 20 30 EGEDRM CC(=NNc1cc(F)c(F)cc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000735451157 1441810172 /nfs/dbraw/zinc/81/01/72/1441810172.db2.gz QSDFBOBWVZCFMM-UHFFFAOYSA-N -1 0 332.289 3.120 20 30 EGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@@H]1CC[C@H](C)C1 ZINC000819743757 1442002757 /nfs/dbraw/zinc/00/27/57/1442002757.db2.gz PRHMKHFSOYXHTM-LSDHHAIUSA-N -1 0 339.443 3.208 20 30 EGEDRM C=CCCCCCN(C)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000819740233 1442253570 /nfs/dbraw/zinc/25/35/70/1442253570.db2.gz VKMKBBLZTSHESL-AWEZNQCLSA-N -1 0 342.447 3.316 20 30 EGEDRM N#Cc1ccc(NCc2cccc(-c3nn[n-]n3)c2)cc1C(F)(F)F ZINC000822833272 1443278376 /nfs/dbraw/zinc/27/83/76/1443278376.db2.gz MYYZYJYUKJSRHR-UHFFFAOYSA-N -1 0 344.300 3.369 20 30 EGEDRM CCCCCCCOC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736448581 1443291484 /nfs/dbraw/zinc/29/14/84/1443291484.db2.gz NHYVTTYXPUPCHR-UHFFFAOYSA-N -1 0 334.445 3.472 20 30 EGEDRM C=C(CC)COC(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000823878147 1443539735 /nfs/dbraw/zinc/53/97/35/1443539735.db2.gz QVLHFKSCCLVHFU-UHFFFAOYSA-N -1 0 326.278 3.009 20 30 EGEDRM C=CCC(CC=C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000819733881 1443854626 /nfs/dbraw/zinc/85/46/26/1443854626.db2.gz DNJXYKXEWRBYLW-UHFFFAOYSA-N -1 0 341.415 3.361 20 30 EGEDRM C[C@H](OC(=O)C=Cc1ccccc1C#N)c1cccc(-c2nn[n-]n2)c1 ZINC000736153710 1443941972 /nfs/dbraw/zinc/94/19/72/1443941972.db2.gz RZBXEACHMIBAAB-LXKVQUBZSA-N -1 0 345.362 3.056 20 30 EGEDRM CC(C)c1nc(-c2nn[n-]n2)c(N=NC=CCc2ccc(F)cc2)o1 ZINC000824352390 1446398741 /nfs/dbraw/zinc/39/87/41/1446398741.db2.gz BXTQNIOGJPJSIW-BCZIFPQJSA-N -1 0 341.350 3.228 20 30 EGEDRM Cc1ccc(C=CCC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC000822233606 1446532839 /nfs/dbraw/zinc/53/28/39/1446532839.db2.gz RWGYEJMOJWBMAO-NSCUHMNNSA-N -1 0 344.378 3.089 20 30 EGEDRM C=CCOCCCC(=O)N[C@](CC)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000262035401 939058366 /nfs/dbraw/zinc/05/83/66/939058366.db2.gz HFCKJMDWXCPNML-KRWDZBQOSA-N -1 0 339.819 3.129 20 30 EGEDRM C=C(C)CCC(=O)N[C@@H](C(=O)[O-])c1ccccc1OC(F)(F)F ZINC001123389214 939824707 /nfs/dbraw/zinc/82/47/07/939824707.db2.gz NHPFWZAYOVSOGM-CYBMUJFWSA-N -1 0 331.290 3.183 20 30 EGEDRM N#Cc1csc(C(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)c1 ZINC001611304818 970984762 /nfs/dbraw/zinc/98/47/62/970984762.db2.gz LACMUKNUIHKUER-UHFFFAOYSA-N -1 0 340.404 3.338 20 30 EGEDRM C=CCn1cc2ccc(NC(=O)[C@@H](C(=O)[O-])C3CCCC3)cc2n1 ZINC001602730873 971410302 /nfs/dbraw/zinc/41/03/02/971410302.db2.gz HOVHVSGRAVHNTL-INIZCTEOSA-N -1 0 327.384 3.052 20 30 EGEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)CSCCC(=O)[O-] ZINC001602786547 971536031 /nfs/dbraw/zinc/53/60/31/971536031.db2.gz XIZVELXNTSPCKS-NSHDSACASA-N -1 0 338.454 3.085 20 30 EGEDRM CCN(C(=O)/C=C/c1ccc(C(=O)[O-])o1)[C@@H](C)c1ccc(C#N)cc1 ZINC001589700862 950238982 /nfs/dbraw/zinc/23/89/82/950238982.db2.gz YWVPTSMILMOEMQ-STRFDMGBSA-N -1 0 338.363 3.472 20 30 EGEDRM CC(C)(C)c1ccc([C@@H](C#N)NC(=O)[C@]2(C(=O)[O-])CC=CCC2)cc1 ZINC001602922944 971882581 /nfs/dbraw/zinc/88/25/81/971882581.db2.gz KBZCFZHWQMWYCN-UZLBHIALSA-N -1 0 340.423 3.476 20 30 EGEDRM CCc1ccc([C@@H](C#N)N(C)C(=O)c2coc(/C=C/C(=O)[O-])c2)cc1 ZINC001593635584 953608915 /nfs/dbraw/zinc/60/89/15/953608915.db2.gz WVQZSPRQXVKEJR-KBOKABMXSA-N -1 0 338.363 3.277 20 30 EGEDRM O=C(Nc1ccccc1C#Cc1ccccc1)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001594811002 953819746 /nfs/dbraw/zinc/81/97/46/953819746.db2.gz RDGLXUWLIUJRTD-CALCHBBNSA-N -1 0 334.375 3.071 20 30 EGEDRM O=C([O-])[C@H](C(=O)Nc1cccc(C#Cc2cccs2)c1)C1CC1 ZINC001594837141 954035216 /nfs/dbraw/zinc/03/52/16/954035216.db2.gz GWZVMHCAMUGOMF-INIZCTEOSA-N -1 0 325.389 3.197 20 30 EGEDRM C[C@@H]1CCN(C(=O)c2c(Cl)cc(C#N)cc2Cl)C[C@@H]1C(=O)[O-] ZINC001589348749 954069008 /nfs/dbraw/zinc/06/90/08/954069008.db2.gz UQJBUVJKDAURRC-SCZZXKLOSA-N -1 0 341.194 3.048 20 30 EGEDRM CC(C)[C@@H](CNC(=O)[C@@](C)(C#N)CC(=O)[O-])c1ccc(Cl)cc1 ZINC001602978524 971995847 /nfs/dbraw/zinc/99/58/47/971995847.db2.gz YBUCPAWUDSELLR-RHSMWYFYSA-N -1 0 336.819 3.200 20 30 EGEDRM CC(C)[C@@H](CNC(=O)c1ccccc1-c1ccccc1C#N)C(=O)[O-] ZINC001602983166 972003624 /nfs/dbraw/zinc/00/36/24/972003624.db2.gz IMHBWQBECXOWGQ-GOSISDBHSA-N -1 0 336.391 3.312 20 30 EGEDRM CCC(CC)(C(=O)[O-])C(=O)N(Cc1ccc(C#N)cc1)CC(C)C ZINC001589470433 954920212 /nfs/dbraw/zinc/92/02/12/954920212.db2.gz KKMNNBJAIASITQ-UHFFFAOYSA-N -1 0 330.428 3.434 20 30 EGEDRM CC(C)CCOc1ccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])c(F)c1 ZINC001603024558 972084329 /nfs/dbraw/zinc/08/43/29/972084329.db2.gz VGAQYIHULJCSMH-QGZVFWFLSA-N -1 0 336.363 3.194 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 ZINC000819848186 955455692 /nfs/dbraw/zinc/45/56/92/955455692.db2.gz RAVQAMKSGZDNJJ-FXAWDEMLSA-N -1 0 347.374 3.285 20 30 EGEDRM N#Cc1cc(C(F)(F)F)cc(N2CCC[C@@H](CCC(=O)[O-])C2)n1 ZINC001594616224 956239040 /nfs/dbraw/zinc/23/90/40/956239040.db2.gz LRDWHHOWDLFPSV-JTQLQIEISA-N -1 0 327.306 3.053 20 30 EGEDRM N#Cc1ccc(C(=O)Nc2cccc(CCC(=O)[O-])c2)cc1Cl ZINC001594617762 956253666 /nfs/dbraw/zinc/25/36/66/956253666.db2.gz KJNCSWYCIGALOX-UHFFFAOYSA-N -1 0 328.755 3.481 20 30 EGEDRM C=CCCC[C@@H](C(=O)Nc1cnn(CC(=O)[O-])c1)c1ccccc1 ZINC000901694266 956419583 /nfs/dbraw/zinc/41/95/83/956419583.db2.gz QPZGNQVUCNGDCB-MRXNPFEDSA-N -1 0 327.384 3.046 20 30 EGEDRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1 ZINC000926101576 957144388 /nfs/dbraw/zinc/14/43/88/957144388.db2.gz VZQMGJCVHFCLCR-GOSISDBHSA-N -1 0 346.431 3.223 20 30 EGEDRM C=CCOc1ccc(CNC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1 ZINC001121899480 957227065 /nfs/dbraw/zinc/22/70/65/957227065.db2.gz DPGUNOSJDRYKEG-INIZCTEOSA-N -1 0 346.427 3.038 20 30 EGEDRM C#C[C@@H](NC(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1ccc(Cl)cc1 ZINC001588385416 957971518 /nfs/dbraw/zinc/97/15/18/957971518.db2.gz FVOIRZNRUKNVPW-XJKSGUPXSA-N -1 0 348.830 3.301 20 30 EGEDRM CC(C)C[C@@H](CNC(=O)N(Cc1ccc(C#N)cc1)C(C)C)C(=O)[O-] ZINC001352506534 958125699 /nfs/dbraw/zinc/12/56/99/958125699.db2.gz OSDSTZNGEUILAW-KRWDZBQOSA-N -1 0 345.443 3.225 20 30 EGEDRM C=C(C)[C@H](CC(=O)N1C[C@@H](CCC(=O)[O-])Cc2ccccc21)OCC ZINC001588443131 958350852 /nfs/dbraw/zinc/35/08/52/958350852.db2.gz YFMFKFFJGROEQX-YJBOKZPZSA-N -1 0 345.439 3.428 20 30 EGEDRM C=CC(C)(C)CC(=O)Nc1sc(C(=O)OCC)c(C)c1C(=O)[O-] ZINC001588450576 958394855 /nfs/dbraw/zinc/39/48/55/958394855.db2.gz SNUVTIWNNQELPV-UHFFFAOYSA-N -1 0 339.413 3.472 20 30 EGEDRM C#CCN(CC(=O)[O-])C(=O)Nc1ccc(OCC2CCCCC2)cc1 ZINC001573317318 958448591 /nfs/dbraw/zinc/44/85/91/958448591.db2.gz GHHWDPUTLQSQOY-UHFFFAOYSA-N -1 0 344.411 3.197 20 30 EGEDRM C=CCCC[C@H](C)NC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001588458556 958464383 /nfs/dbraw/zinc/46/43/83/958464383.db2.gz RJYHEURIPRHPAR-BHYGNILZSA-N -1 0 330.428 3.241 20 30 EGEDRM C=CCOCCN1CC[C@H](C(=O)[O-])c2cc(Br)ccc21 ZINC001588465157 958496224 /nfs/dbraw/zinc/49/62/24/958496224.db2.gz NODOTXHJGUDFLX-LBPRGKRZSA-N -1 0 340.217 3.030 20 30 EGEDRM Cc1cccc([C@H](NC(=O)[C@@H](C#N)CCc2ccccc2)C(=O)[O-])c1 ZINC001594390223 958704635 /nfs/dbraw/zinc/70/46/35/958704635.db2.gz GWUJHJFYOZORPY-MSOLQXFVSA-N -1 0 336.391 3.010 20 30 EGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC001588538885 958946695 /nfs/dbraw/zinc/94/66/95/958946695.db2.gz PSPSGKXNCCKIEG-JCKWVBRZSA-N -1 0 348.830 3.487 20 30 EGEDRM C[C@@H](C(=O)[O-])C(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 ZINC001588584463 959287887 /nfs/dbraw/zinc/28/78/87/959287887.db2.gz DSZFKNHEPVHGDD-NXEZZACHSA-N -1 0 334.441 3.430 20 30 EGEDRM Cc1c2cc(C#N)ccc2sc1C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC001594256523 959650843 /nfs/dbraw/zinc/65/08/43/959650843.db2.gz KAXQAYYWRKVZSN-LBPRGKRZSA-N -1 0 328.393 3.018 20 30 EGEDRM CC(C)(C)Oc1ccc(NC(=O)[C@@]2(C(=O)[O-])CC=CCC2)cc1C#N ZINC001588734756 961128207 /nfs/dbraw/zinc/12/82/07/961128207.db2.gz YBLJMYUJGROAQX-LJQANCHMSA-N -1 0 342.395 3.485 20 30 EGEDRM N#Cc1cc(NCc2cccc(C(=O)[O-])c2)ncc1Br ZINC001574485873 961679363 /nfs/dbraw/zinc/67/93/63/961679363.db2.gz LPOIUBPXJWNZJE-UHFFFAOYSA-N -1 0 332.157 3.026 20 30 EGEDRM N#Cc1ccc(C2=CCN(C(=O)Cc3ccccc3C(=O)[O-])CC2)cc1 ZINC001574485842 961679461 /nfs/dbraw/zinc/67/94/61/961679461.db2.gz KOBFSYJNJYBSEU-UHFFFAOYSA-N -1 0 346.386 3.115 20 30 EGEDRM N#Cc1cccc(C2(C(=O)N[C@@H]3C[C@H](C(=O)[O-])c4ccccc43)CC2)c1 ZINC001574490040 961708911 /nfs/dbraw/zinc/70/89/11/961708911.db2.gz SCQAQRCMHVIHDC-ZWKOTPCHSA-N -1 0 346.386 3.019 20 30 EGEDRM CC(C)C[C@H](CNC(=O)Nc1cc(C#N)c(F)cc1F)CC(=O)[O-] ZINC001588894187 962220301 /nfs/dbraw/zinc/22/03/01/962220301.db2.gz LXAFPPBHZNPVMV-JTQLQIEISA-N -1 0 339.342 3.095 20 30 EGEDRM C[C@@H](NC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1)c1cccc(C#N)c1 ZINC001353128230 962651555 /nfs/dbraw/zinc/65/15/55/962651555.db2.gz WCJCQZHHMOANKA-ACJLOTCBSA-N -1 0 349.390 3.013 20 30 EGEDRM CC(C)c1ccc2c(c1)[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])CCC2 ZINC001588969881 962667095 /nfs/dbraw/zinc/66/70/95/962667095.db2.gz RXTZKWJKMXXMNU-APWZRJJASA-N -1 0 328.412 3.308 20 30 EGEDRM C#CCOc1ccc(C(=O)Oc2ccc(SCC(=O)[O-])cc2)cc1 ZINC001573312476 962722926 /nfs/dbraw/zinc/72/29/26/962722926.db2.gz VFJUGJFRTAXREY-UHFFFAOYSA-N -1 0 342.372 3.095 20 30 EGEDRM C=C(C)C[C@H](NC(=O)c1ccc(Oc2ccccc2)nc1)C(=O)[O-] ZINC001573323351 962770611 /nfs/dbraw/zinc/77/06/11/962770611.db2.gz ADFDTSYOUPISMY-HNNXBMFYSA-N -1 0 326.352 3.023 20 30 EGEDRM C=C(C)C[C@H](NC(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3)C(=O)[O-] ZINC001573324809 962790562 /nfs/dbraw/zinc/79/05/62/962790562.db2.gz YXNUMOVASUHJKZ-SGTLLEGYSA-N -1 0 340.423 3.442 20 30 EGEDRM C=C(CC(C)C)C(=O)NC[C@@H](Cc1ccc(OCC)cc1)C(=O)[O-] ZINC001573325465 962796541 /nfs/dbraw/zinc/79/65/41/962796541.db2.gz JTDYWWGIVJJWOU-MRXNPFEDSA-N -1 0 333.428 3.047 20 30 EGEDRM C=C(CCC(=O)[O-])C(=O)Nc1cc(C(C)C)nn1Cc1ccccc1 ZINC001573336638 962859860 /nfs/dbraw/zinc/85/98/60/962859860.db2.gz FHWMGGLKRYLPFW-UHFFFAOYSA-N -1 0 341.411 3.414 20 30 EGEDRM C=CCOc1cc(OC)ccc1C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001573337438 962866373 /nfs/dbraw/zinc/86/63/73/962866373.db2.gz NRAQXXIZJPZRRR-UHFFFAOYSA-N -1 0 345.326 3.350 20 30 EGEDRM C=CC(C)(C)CCCNC(=O)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC001573346876 962944309 /nfs/dbraw/zinc/94/43/09/962944309.db2.gz HINCZSYFIGGWKV-UHFFFAOYSA-N -1 0 330.428 3.445 20 30 EGEDRM C=CCCC[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1)C(=O)[O-] ZINC001573356502 963008066 /nfs/dbraw/zinc/00/80/66/963008066.db2.gz DANXTIXEFKBHSU-GMTAPVOTSA-N -1 0 327.833 3.431 20 30 EGEDRM C=CCCC[C@@H](NC(=O)c1cc(C(F)(F)F)ccc1NC)C(=O)[O-] ZINC001573367009 963062937 /nfs/dbraw/zinc/06/29/37/963062937.db2.gz RFJHIAPXYXTMSE-CYBMUJFWSA-N -1 0 344.333 3.286 20 30 EGEDRM C#CCCCCC(=O)N1CCC(Cc2ccccc2C(=O)[O-])CC1 ZINC001588439586 964029349 /nfs/dbraw/zinc/02/93/49/964029349.db2.gz CFYYVHPNBOPZSA-UHFFFAOYSA-N -1 0 327.424 3.360 20 30 EGEDRM C=C1CCC(CNC(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)CC1 ZINC001588445837 964067099 /nfs/dbraw/zinc/06/70/99/964067099.db2.gz ULJSGSUPCWQTKM-QGZVFWFLSA-N -1 0 328.412 3.126 20 30 EGEDRM C[C@H]1CCN(c2ccc(C#N)c(Br)c2F)C[C@@H]1C(=O)[O-] ZINC000693446544 968933885 /nfs/dbraw/zinc/93/38/85/968933885.db2.gz MTAJEORERAHCPR-WPRPVWTQSA-N -1 0 341.180 3.007 20 30 EGEDRM C=CC[C@@H]1CCCN(C(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)C1 ZINC001353155941 969779441 /nfs/dbraw/zinc/77/94/41/969779441.db2.gz NWPMCEWALLNKLB-COXVUDFISA-N -1 0 328.412 3.297 20 30 EGEDRM CCC(C)(C)OCc1ccccc1NC(=O)[C@](C)(C#N)CC(=O)[O-] ZINC001610120683 970676433 /nfs/dbraw/zinc/67/64/33/970676433.db2.gz KNQLRGYFNOKKKO-SFHVURJKSA-N -1 0 332.400 3.335 20 30 EGEDRM C[C@@H]1CCc2sc(NC(=O)C3(C(=O)[O-])CCC3)c(C#N)c2[C@H]1C ZINC001603438847 973209890 /nfs/dbraw/zinc/20/98/90/973209890.db2.gz FFLAEEFRQLIAOE-ZJUUUORDSA-N -1 0 332.425 3.499 20 30 EGEDRM N#Cc1ccc(NC(=O)NCc2cccc(C(=O)[O-])c2)c(C2CC2)c1 ZINC001605612020 973922809 /nfs/dbraw/zinc/92/28/09/973922809.db2.gz FJQZYHQGAVTIQO-UHFFFAOYSA-N -1 0 335.363 3.456 20 30 EGEDRM N#Cc1ccc2c(c1)CC[C@H]2NC(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001605612283 973924624 /nfs/dbraw/zinc/92/46/24/973924624.db2.gz JXFVCSHTRNFGHH-OAHLLOKOSA-N -1 0 339.326 3.205 20 30 EGEDRM CC(C)Oc1c(NC(=O)N2CCC(C)(C#N)CC2)cccc1C(=O)[O-] ZINC001591744062 975765652 /nfs/dbraw/zinc/76/56/52/975765652.db2.gz ISRBYUBJNALFDZ-UHFFFAOYSA-N -1 0 345.399 3.330 20 30 EGEDRM CC(C)n1cc2c(n1)[C@@H](N[C@@H](C(=O)[O-])c1ccc(C#N)cc1)CCC2 ZINC001592130731 976960606 /nfs/dbraw/zinc/96/06/06/976960606.db2.gz HQBAXELZPNAGJE-FUHWJXTLSA-N -1 0 338.411 3.129 20 30 EGEDRM C[C@H](CCC1CCCCC1)NC(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001592477849 978246983 /nfs/dbraw/zinc/24/69/83/978246983.db2.gz OYNRGHJQJSKFGI-CQSZACIVSA-N -1 0 335.448 3.135 20 30 EGEDRM CCn1nc(C=NNc2ccc(C(=O)[O-])cc2OC)c2ccccc21 ZINC000769799922 978743219 /nfs/dbraw/zinc/74/32/19/978743219.db2.gz PNMSIRRAWFLAPB-UHFFFAOYSA-N -1 0 338.367 3.209 20 30 EGEDRM C[C@H](Oc1ccc(CN=Nc2cccc(F)c2[N+](=O)[O-])cc1)C(=O)[O-] ZINC000794935253 978830755 /nfs/dbraw/zinc/83/07/55/978830755.db2.gz HHLSKSZZEMINBT-JTQLQIEISA-N -1 0 347.302 3.032 20 30 EGEDRM Cn1cc(-c2ccc(C=NNc3cccc(C(=O)[O-])c3)s2)cn1 ZINC000800804147 978846803 /nfs/dbraw/zinc/84/68/03/978846803.db2.gz SECFSQAZFVVCES-UHFFFAOYSA-N -1 0 326.381 3.293 20 30 EGEDRM COc1ccc(-c2n[nH]cc2C=NNc2ccccc2C(=O)[O-])cc1 ZINC000812446263 978869759 /nfs/dbraw/zinc/86/97/59/978869759.db2.gz VQVCYNUCTNFAPS-UHFFFAOYSA-N -1 0 336.351 3.230 20 30 EGEDRM COc1cccc(F)c1[C@H](C)N[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832557920 979047092 /nfs/dbraw/zinc/04/70/92/979047092.db2.gz CQUBGIYIJKOXCZ-APPDUMDISA-N -1 0 328.343 3.182 20 30 EGEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)NC[C@H](C(=O)[O-])C1CCCCC1 ZINC001592834884 979581451 /nfs/dbraw/zinc/58/14/51/979581451.db2.gz ZHFVCKWNIISMCF-KDOFPFPSSA-N -1 0 342.439 3.134 20 30 EGEDRM CC(F)(F)c1ccccc1NC(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001592944361 980022158 /nfs/dbraw/zinc/02/21/58/980022158.db2.gz MGEQRKKDEDJALN-UHFFFAOYSA-N -1 0 337.326 3.021 20 30 EGEDRM C=CCn1cc2ccc(NC(=O)NCC(CC)(CC)C(=O)[O-])cc2n1 ZINC000899317136 980227446 /nfs/dbraw/zinc/22/74/46/980227446.db2.gz KQKAIFLTVAKROR-UHFFFAOYSA-N -1 0 344.415 3.235 20 30 EGEDRM