smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C(=O)NC[C@H](C)S(C)(=O)=O)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000533604884 376023012 /nfs/dbraw/zinc/02/30/12/376023012.db2.gz OYDRKZXEDMZGQN-ZETCQYMHSA-N -2 1 340.361 -0.093 20 0 EBADML Cc1cc(C(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000268421658 379300890 /nfs/dbraw/zinc/30/08/90/379300890.db2.gz XKFYPBSZTLMIJW-APPZFPTMSA-N -2 1 347.331 -0.493 20 0 EBADML COC(=O)C[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)co1)C(=O)[O-] ZINC000275188795 379742126 /nfs/dbraw/zinc/74/21/26/379742126.db2.gz FIZBYJWLZSCVOT-ZETCQYMHSA-N -2 1 335.290 -0.639 20 0 EBADML CCn1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H]2CCOC2)c([N+](=O)[O-])n1 ZINC000547557358 380143955 /nfs/dbraw/zinc/14/39/55/380143955.db2.gz MPOHOVHSTSROQH-CBAPKCEASA-N -2 1 348.337 -0.421 20 0 EBADML CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]CCSCC(=O)[O-] ZINC000548263348 380195244 /nfs/dbraw/zinc/19/52/44/380195244.db2.gz SDNAIKWFTPVMCO-UHFFFAOYSA-N -2 1 337.379 -0.318 20 0 EBADML CCC[C@H](O)[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)o1)C(=O)[O-] ZINC000548262326 380195681 /nfs/dbraw/zinc/19/56/81/380195681.db2.gz GMVRHSPNVNNTHQ-OIBJUYFYSA-N -2 1 335.334 -0.041 20 0 EBADML CCC[C@@H](O)[C@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)o1)C(=O)[O-] ZINC000548262327 380195871 /nfs/dbraw/zinc/19/58/71/380195871.db2.gz GMVRHSPNVNNTHQ-XCBNKYQSSA-N -2 1 335.334 -0.041 20 0 EBADML COC(=O)[C@@]1(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)CCOC1 ZINC000268006194 154397760 /nfs/dbraw/zinc/39/77/60/154397760.db2.gz OERDJPFZGDKATE-OAHLLOKOSA-N -2 1 348.315 -0.194 20 0 EBADML Cc1cc(C(=O)N[C@H]2CCS(=O)(=O)C2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000353658726 301148066 /nfs/dbraw/zinc/14/80/66/301148066.db2.gz OOEYKRVGKYKEIR-ZETCQYMHSA-N -2 1 338.345 -0.339 20 0 EBADML C[C@H](NC(=O)[O-])c1ccc(NC(=O)C(=O)NCc2nn[n-]n2)cc1 ZINC000825414905 583860504 /nfs/dbraw/zinc/86/05/04/583860504.db2.gz BTJKILBMJGHAER-ZETCQYMHSA-N -2 1 333.308 -0.217 20 0 EBADML O=C([O-])N1CCN(c2n[nH]c(NC(=O)c3cncc([O-])c3)n2)CC1 ZINC000831815828 583992257 /nfs/dbraw/zinc/99/22/57/583992257.db2.gz SHKIFNJMDNHCGJ-UHFFFAOYSA-N -2 1 333.308 -0.042 20 0 EBADML COc1cc[n-]c(=NNS(=O)(=O)c2csnc2C(=O)[O-])n1 ZINC000832637469 583999785 /nfs/dbraw/zinc/99/97/85/583999785.db2.gz QSYMHMBMKQQYKQ-UHFFFAOYSA-N -2 1 331.335 -0.055 20 0 EBADML COc1cc[nH]c(=N[N-]S(=O)(=O)c2csnc2C(=O)[O-])n1 ZINC000832637469 583999788 /nfs/dbraw/zinc/99/97/88/583999788.db2.gz QSYMHMBMKQQYKQ-UHFFFAOYSA-N -2 1 331.335 -0.055 20 0 EBADML O=C([O-])Nc1ccc(C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)c([O-])c1 ZINC000832829167 584002235 /nfs/dbraw/zinc/00/22/35/584002235.db2.gz ONFAIXQTSSJZSN-VIFPVBQESA-N -2 1 334.288 -0.142 20 0 EBADML O=C([O-])Nc1ccc(C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)c([O-])c1 ZINC000832829166 584002247 /nfs/dbraw/zinc/00/22/47/584002247.db2.gz ONFAIXQTSSJZSN-SECBINFHSA-N -2 1 334.288 -0.142 20 0 EBADML Cn1[n-]cc2c(=NC(=O)C(=O)NC[C@@H](C(=O)[O-])C3CCC3)ccnc1-2 ZINC000853327077 584226418 /nfs/dbraw/zinc/22/64/18/584226418.db2.gz ZMFQOFPKTWQFCQ-SNVBAGLBSA-N -2 1 345.359 -0.103 20 0 EBADML O=C([O-])Nc1ccc(C(=O)N2CC[C@@]3(C2)NC(=O)NC3=O)c([O-])c1 ZINC000740699239 602868208 /nfs/dbraw/zinc/86/82/08/602868208.db2.gz HFYIEPVCVZWJKY-AWEZNQCLSA-N -2 1 334.288 -0.094 20 0 EBADML CC(C)[C@](C)(CNC(=O)[O-])NC(=O)CCn1cc[n-]c(=O)c1=O ZINC000738769235 603124455 /nfs/dbraw/zinc/12/44/55/603124455.db2.gz DQERUGHSGXOVNU-AWEZNQCLSA-N -2 1 326.353 -0.275 20 0 EBADML O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)OCC(=O)[N-]C(=O)c1ccccc1 ZINC000740375532 603145168 /nfs/dbraw/zinc/14/51/68/603145168.db2.gz DNDXROPBNDMCFI-GHMZBOCLSA-N -2 1 336.300 -0.401 20 0 EBADML Cc1n[nH]c(C(=O)N[C@@H](C)C2CN(Cc3nc(=O)n(C)[n-]3)C2)c1[O-] ZINC000969506126 725186457 /nfs/dbraw/zinc/18/64/57/725186457.db2.gz MXQHPSRBIDUKFX-ZETCQYMHSA-N -2 1 335.368 -0.904 20 0 EBADML Cc1n[nH]c(C(=O)N[C@@H]2CCCN(Cc3nc(=O)n(C)[n-]3)C2)c1[O-] ZINC001007123908 726789388 /nfs/dbraw/zinc/78/93/88/726789388.db2.gz YBPLQGWMQCEMOW-SECBINFHSA-N -2 1 335.368 -0.760 20 0 EBADML Cc1[nH]nc(C(=O)N2CC(O)(CNC(=O)c3ncccc3[O-])C2)c1[O-] ZINC001042713376 732547285 /nfs/dbraw/zinc/54/72/85/732547285.db2.gz VSYHCYFITIODLO-UHFFFAOYSA-N -2 1 347.331 -0.859 20 0 EBADML CCc1cnc(=S)[n-]c1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001227064961 811901926 /nfs/dbraw/zinc/90/19/26/811901926.db2.gz XRTOTOZKAXSWFG-POYBYMJQSA-N -3 1 330.318 -0.231 20 0 EBADML CN1C[C@@H]2COC[C@H](C1)N2C(=O)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001270200864 815719844 /nfs/dbraw/zinc/71/98/44/815719844.db2.gz WCJUTOMEWQJRJM-AOOOYVTPSA-N -2 1 342.373 -0.206 20 0 EBADML COC(=O)[C@H](CCC(=O)[O-])NC(=O)C(F)(F)C(F)(F)C(=O)[O-] ZINC001180175977 833052316 /nfs/dbraw/zinc/05/23/16/833052316.db2.gz GNZWLOWLQWNPRM-BYPYZUCNSA-N -2 1 333.190 -0.136 20 0 EBADML O=C(CCC(=O)N1CCNC(=O)CC1)NCCCC[P@@](=O)([O-])O ZINC001180272210 833066853 /nfs/dbraw/zinc/06/68/53/833066853.db2.gz DTQDKDXXHOCKIM-UHFFFAOYSA-N -2 1 349.324 -0.811 20 0 EBADML O=C([O-])c1cc(S(=O)(=O)NCC[P@@](=O)([O-])O)ccc1F ZINC001186202512 833392162 /nfs/dbraw/zinc/39/21/62/833392162.db2.gz OWCMOFYFJZBHTH-UHFFFAOYSA-N -2 1 327.226 -0.020 20 0 EBADML O=C(c1cc(S(=O)(=O)[O-])ccc1[O-])N1CC[C@H](O)[C@@H](CO)C1 ZINC001148916711 830555277 /nfs/dbraw/zinc/55/52/77/830555277.db2.gz CXFSJQHLKIMPQO-KCJUWKMLSA-N -2 1 331.346 -0.546 20 0 EBADML CN(C)c1nc(NC(=O)Cn2nn[n-]c2=S)c(N=O)c(=O)[n-]1 ZINC001177736706 832800172 /nfs/dbraw/zinc/80/01/72/832800172.db2.gz ZUKGFWBXMSDEBH-UHFFFAOYSA-N -2 1 325.314 -0.440 20 0 EBADML C[C@H]1[C@H](NC(=O)c2cc([O-])cc(F)c2F)C(=O)N1S(=O)(=O)[O-] ZINC001192679410 834714831 /nfs/dbraw/zinc/71/48/31/834714831.db2.gz UPCJYIQBKHYDGA-IGJIYHIXSA-N -2 1 336.272 -0.198 20 0 EBADML O=C(NCc1nn[n-]n1)c1cc(-n2ncc(=O)[n-]c2=O)ccc1Cl ZINC001198002772 835629670 /nfs/dbraw/zinc/62/96/70/835629670.db2.gz UADVQPPJLGHHBL-UHFFFAOYSA-N -2 1 348.710 -0.570 20 0 EBADML NC(=O)C[C@H]([N-]S(=O)(=O)c1cnc(Cl)cc1Cl)C(=O)[O-] ZINC001320441349 838770788 /nfs/dbraw/zinc/77/07/88/838770788.db2.gz WEFKBBHCBFQQEE-YFKPBYRVSA-N -2 1 342.160 -0.005 20 0 EBADML C[N-]S(=O)(=O)c1cc(C(=O)NCCc2n[n-]c(=S)o2)co1 ZINC001343006486 843191827 /nfs/dbraw/zinc/19/18/27/843191827.db2.gz XYOHMUNREWMEHF-UHFFFAOYSA-N -2 1 332.363 -0.168 20 0 EBADML Cc1cc(C=O)c([O-])c(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])c1 ZINC001600186331 970775065 /nfs/dbraw/zinc/77/50/65/970775065.db2.gz RPRWRBDOUBWSPN-NSHDSACASA-N -2 1 341.341 -0.163 20 0 EBADML C[C@@H](NC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1)c1nn(C)cc1[O-] ZINC001575250975 949122879 /nfs/dbraw/zinc/12/28/79/949122879.db2.gz JOAMJGSLAZUWOV-RNFRBKRXSA-N -2 1 332.328 -0.664 20 0 EBADML C[C@H]1CCNC(=O)[C@@H]1NCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001576213475 950626202 /nfs/dbraw/zinc/62/62/02/950626202.db2.gz ARGPMVLLNWYGNI-WRWORJQWSA-N -2 1 343.351 -0.771 20 0 EBADML C[C@H](CNC(=O)c1ncccc1[O-])Nc1ccnc(-c2nnn[n-]2)n1 ZINC001575068050 951629364 /nfs/dbraw/zinc/62/93/64/951629364.db2.gz WLVGHCIIMCJSJZ-MRVPVSSYSA-N -2 1 341.335 -0.590 20 0 EBADML CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@]2(C(=O)[O-])CCCO2)c1 ZINC001593801829 954853664 /nfs/dbraw/zinc/85/36/64/954853664.db2.gz XTCQMVNSFDECQS-ZDUSSCGKSA-N -2 1 344.345 -0.127 20 0 EBADML C[C@@H]1CCN(CC(=O)NCC(=O)[O-])C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001594216301 959332154 /nfs/dbraw/zinc/33/21/54/959332154.db2.gz QQMWYZVTAQZOBY-SFYZADRCSA-N -2 1 325.287 -0.424 20 0 EBADML O=C([O-])[C@@]1(NC(=O)CNC(=O)c2ncccc2[O-])CCSC1 ZINC001571168258 962020827 /nfs/dbraw/zinc/02/08/27/962020827.db2.gz SVUVWUKVCSORIE-CYBMUJFWSA-N -2 1 325.346 -0.407 20 0 EBADML C[N-]S(=O)(=O)c1cc(C(=O)N(CCOC)CCC(=O)[O-])co1 ZINC001604248551 972772229 /nfs/dbraw/zinc/77/22/29/972772229.db2.gz FADATQYZCRRLME-UHFFFAOYSA-N -2 1 334.350 -0.249 20 0 EBADML C[N-]S(=O)(=O)c1cc(C(=O)Nc2cnn(CC(=O)[O-])c2)co1 ZINC001604248580 972772328 /nfs/dbraw/zinc/77/23/28/972772328.db2.gz HJIFCORHEHJQJW-UHFFFAOYSA-N -2 1 328.306 -0.279 20 0 EBADML COC[C@@]1(C(=O)[O-])CN(C(=O)c2c(C)[nH]c(=O)[n-]c2=S)CCO1 ZINC001604558451 973606799 /nfs/dbraw/zinc/60/67/99/973606799.db2.gz WMBPNWWTPLRTQH-CYBMUJFWSA-N -2 1 343.361 -0.278 20 0 EBADML O=C([O-])Cn1cc(C(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)nn1 ZINC001606326121 973751838 /nfs/dbraw/zinc/75/18/38/973751838.db2.gz LBSHLYSVTNZVCL-UHFFFAOYSA-N -2 1 335.242 -0.887 20 0 EBADML CN(C)[S@](C)(=O)=NS(=O)(=O)[N-][C@]1(CC(=O)[O-])CCOC1 ZINC001598283303 991172518 /nfs/dbraw/zinc/17/25/18/991172518.db2.gz HTJMBHIQSZUIJI-ZRNGKTOUSA-N -2 1 329.400 -0.971 20 0 EBADML C[N-]S(=O)(=O)c1cc(C(=O)N[C@@]2(C(=O)[O-])CCSC2)co1 ZINC001598673530 994800019 /nfs/dbraw/zinc/80/00/19/994800019.db2.gz SHILBFUZFGDGIN-NSHDSACASA-N -2 1 334.375 -0.122 20 0 EBADML COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-][C@]1(CC(=O)[O-])CCOC1 ZINC001598911992 997387931 /nfs/dbraw/zinc/38/79/31/997387931.db2.gz PYGCZYSUCOMVKN-LBPRGKRZSA-N -2 1 347.349 -0.583 20 0 EBADML CO[C@H]1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)[C@@H](C(=O)[O-])C1 ZINC001599118241 997692308 /nfs/dbraw/zinc/69/23/08/997692308.db2.gz AGKRDZMXLRNTJV-VHSXEESVSA-N -2 1 325.321 -0.983 20 0 EBADML COc1c(=O)[n-]c(=O)[nH]c1C(=O)N(C)[C@H](COC(C)C)C(=O)[O-] ZINC001599328940 997713619 /nfs/dbraw/zinc/71/36/19/997713619.db2.gz SJHVBNMZRPBMHU-SSDOTTSWSA-N -2 1 329.309 -0.153 20 0 EBADML COC[C@](C)([N-]S(=O)(=O)c1nc[nH]c1Br)C(=O)[O-] ZINC001599154986 998357035 /nfs/dbraw/zinc/35/70/35/998357035.db2.gz COTGNWUMACBJRC-QMMMGPOBSA-N -2 1 342.171 -0.060 20 0 EBADML COC[C@@H](O)C[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001599275820 998607489 /nfs/dbraw/zinc/60/74/89/998607489.db2.gz GVXPQNGCSFPPPK-ZETCQYMHSA-N -2 1 325.289 -0.051 20 0 EBADML Cc1cc(C(=O)N2CCO[C@@H]([C@@H](C)O)C2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC001362551248 1131609033 /nfs/dbraw/zinc/60/90/33/1131609033.db2.gz ZTCUGYZPJLMSHV-PSASIEDQSA-N -2 1 334.332 -0.034 20 0 EBADML C[N-]S(=O)(=O)c1ccc(C(=O)N2CCOC[C@@H]2CC(=O)[O-])o1 ZINC000263251259 290788676 /nfs/dbraw/zinc/78/86/76/290788676.db2.gz DWJGPLBVNWXNKV-QMMMGPOBSA-N -2 1 332.334 -0.497 20 0 EBADML COC(=O)CC[C@H]([N-]S(=O)(=O)c1ncn(C)c1Cl)C(=O)[O-] ZINC000275171653 379740443 /nfs/dbraw/zinc/74/04/43/379740443.db2.gz CELLHUWYWFVLSS-LURJTMIESA-N -2 1 339.757 -0.242 20 0 EBADML COC(=O)c1coc(S(=O)(=O)[N-]CCn2cc(C(=O)[O-])nn2)c1 ZINC000277192232 379877558 /nfs/dbraw/zinc/87/75/58/379877558.db2.gz DCDLUMDEWJPFTF-UHFFFAOYSA-N -2 1 344.305 -0.666 20 0 EBADML COC(=O)c1coc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cnn(C)c2)c1 ZINC000547554771 380143781 /nfs/dbraw/zinc/14/37/81/380143781.db2.gz RURCWRPTRPLFPL-SNVBAGLBSA-N -2 1 343.317 -0.096 20 0 EBADML NC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(Br)o1)C(=O)[O-] ZINC000547547550 380143931 /nfs/dbraw/zinc/14/39/31/380143931.db2.gz JVKJQVDYIVMHOF-SCSAIBSYSA-N -2 1 341.139 -0.351 20 0 EBADML CS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC(=O)[O-])c(F)c1 ZINC000340453796 380502386 /nfs/dbraw/zinc/50/23/86/380502386.db2.gz JHXZSFJKHFZFHF-UHFFFAOYSA-N -2 1 326.327 -0.440 20 0 EBADML Cc1cc(=NC([O-])=CC=C(O)Nc2ccc3[n-]c(=O)nc-3[nH]2)[nH][nH]1 ZINC000347679954 381246681 /nfs/dbraw/zinc/24/66/81/381246681.db2.gz IAZFDIUQOFFHFU-UHFFFAOYSA-N -2 1 329.320 -0.104 20 0 EBADML CCOC(=O)c1ccc(S(=O)(=O)[N-][C@]2(C(=O)[O-])CCOC2)o1 ZINC000367136071 285965246 /nfs/dbraw/zinc/96/52/46/285965246.db2.gz TZZKQTGMUKKKNH-GFCCVEGCSA-N -2 1 333.318 -0.022 20 0 EBADML CS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCCC(=O)[O-])c(F)c1 ZINC000261755669 154199601 /nfs/dbraw/zinc/19/96/01/154199601.db2.gz WXAMKZHDMMJQOH-UHFFFAOYSA-N -2 1 340.354 -0.050 20 0 EBADML Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000647219467 419027119 /nfs/dbraw/zinc/02/71/19/419027119.db2.gz FQUYXMSRHPWMRM-LLVKDONJSA-N -2 1 334.332 -0.094 20 0 EBADML CO[C@H](CS(=O)(=O)[N-]c1cnn(C)c1C(=O)[O-])[C@H]1CCOC1 ZINC000656626675 420899479 /nfs/dbraw/zinc/89/94/79/420899479.db2.gz NVFUKOPNJKTVQN-WCBMZHEXSA-N -2 1 333.366 -0.089 20 0 EBADML Cc1cc(C(=O)N[C@]2(C(=O)[O-])CCOC2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000663132018 421125548 /nfs/dbraw/zinc/12/55/48/421125548.db2.gz UQSNCLWDLRTTOZ-CQSZACIVSA-N -3 1 334.288 -0.282 20 0 EBADML Cn1cc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(C)(C)C)c(=O)n(C)c1=O ZINC000275056958 302919521 /nfs/dbraw/zinc/91/95/21/302919521.db2.gz UCGOCEWULIYWNY-VIFPVBQESA-N -2 1 347.393 -0.748 20 0 EBADML COC(=O)C[C@@H]([N-]S(=O)(=O)c1cc(C)c(C(=O)OC)o1)C(=O)[O-] ZINC000596033452 545802192 /nfs/dbraw/zinc/80/21/92/545802192.db2.gz HSVALTDLHDUYRX-SSDOTTSWSA-N -2 1 349.317 -0.331 20 0 EBADML COC(=O)c1oc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(=O)[O-])cc1C ZINC000596031330 545802487 /nfs/dbraw/zinc/80/24/87/545802487.db2.gz DPLTWDLPXQERIJ-LURJTMIESA-N -3 1 335.290 -0.419 20 0 EBADML Cc1cc(C(=O)N2CCO[C@H](C(=O)[O-])C2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000676215293 546198262 /nfs/dbraw/zinc/19/82/62/546198262.db2.gz WLPBNHKTWXCFOU-QMMMGPOBSA-N -3 1 334.288 -0.330 20 0 EBADML COc1cc[nH]c(=N[N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])n1 ZINC000738142623 583043433 /nfs/dbraw/zinc/04/34/33/583043433.db2.gz DAXQFSUGIYNJDT-UHFFFAOYSA-N -2 1 328.310 -0.480 20 0 EBADML COc1cc[n-]c(=NNS(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])n1 ZINC000738142623 583043437 /nfs/dbraw/zinc/04/34/37/583043437.db2.gz DAXQFSUGIYNJDT-UHFFFAOYSA-N -2 1 328.310 -0.480 20 0 EBADML CC(=O)NCCN(C(=O)c1nc2ccccc2c(=O)[n-]1)[C@@H](C)C(=O)[O-] ZINC000819762583 583760918 /nfs/dbraw/zinc/76/09/18/583760918.db2.gz QHHYBVSIZNIVDN-VIFPVBQESA-N -2 1 346.343 -0.026 20 0 EBADML C[N-]S(=O)(=O)c1cc(C(=O)OCc2cn(CC(=O)[O-])nn2)co1 ZINC000820640561 583776498 /nfs/dbraw/zinc/77/64/98/583776498.db2.gz DVYGVOPYTBYIHV-UHFFFAOYSA-N -2 1 344.305 -0.779 20 0 EBADML Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2cn(C)c(Cl)n2)n1 ZINC000822622777 583814718 /nfs/dbraw/zinc/81/47/18/583814718.db2.gz ILMZBMAUERKBSN-UHFFFAOYSA-N -2 1 343.760 -0.212 20 0 EBADML Cn1cc(-c2nn[n-]n2)c([N-]S(=O)(=O)c2cn(C)c(Cl)n2)n1 ZINC000822622777 583814720 /nfs/dbraw/zinc/81/47/20/583814720.db2.gz ILMZBMAUERKBSN-UHFFFAOYSA-N -2 1 343.760 -0.212 20 0 EBADML O=C([N-]S(=O)(=O)Cc1ccon1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823285675 583827698 /nfs/dbraw/zinc/82/76/98/583827698.db2.gz YTTCPETXUVOFBT-UHFFFAOYSA-N -2 1 335.305 -0.491 20 0 EBADML O=C([N-]S(=O)(=O)Cc1ccon1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823285675 583827699 /nfs/dbraw/zinc/82/76/99/583827699.db2.gz YTTCPETXUVOFBT-UHFFFAOYSA-N -2 1 335.305 -0.491 20 0 EBADML CC(C)(CC(=O)[O-])NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000826532981 583907126 /nfs/dbraw/zinc/90/71/26/583907126.db2.gz FDGBHCVYTJNUPB-UHFFFAOYSA-N -2 1 347.349 -0.974 20 0 EBADML NC(=O)c1ccc(C[N-]S(=O)(=O)c2csnc2C(=O)[O-])cn1 ZINC000833762290 584016027 /nfs/dbraw/zinc/01/60/27/584016027.db2.gz IXMXCSZAQKAWPH-UHFFFAOYSA-N -2 1 342.358 -0.186 20 0 EBADML O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1CC(=O)NC1CC1 ZINC000852736870 584215168 /nfs/dbraw/zinc/21/51/68/584215168.db2.gz PBPUGYDDFCSSLN-PSASIEDQSA-N -2 1 337.298 -0.139 20 0 EBADML COC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H](C[C@@H]1CCOC1)C(=O)[O-] ZINC000912558472 650208918 /nfs/dbraw/zinc/20/89/18/650208918.db2.gz NLKOOIBBMWPENU-IONNQARKSA-N -2 1 347.349 -0.646 20 0 EBADML COC(=O)c1c[nH]nc1S(=O)(=O)[N-]C[C@@H](CC1CC1)C(=O)[O-] ZINC000912559301 650209134 /nfs/dbraw/zinc/20/91/34/650209134.db2.gz YJCJOUSMYYAKLB-MRVPVSSYSA-N -2 1 331.350 -0.025 20 0 EBADML O=C(N[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)c1ncccc1[O-] ZINC000937860810 651957914 /nfs/dbraw/zinc/95/79/14/651957914.db2.gz KCRLAXDIOLYBAQ-ZETCQYMHSA-N -2 1 346.303 -0.972 20 0 EBADML Cn1cc(S(=O)(=O)[N-]CCCCCCC(=O)[O-])c(=O)n(C)c1=O ZINC000390351602 719414972 /nfs/dbraw/zinc/41/49/72/719414972.db2.gz YYUWUBSQDSNYFG-UHFFFAOYSA-N -2 1 347.393 -0.603 20 0 EBADML O=C([O-])N(CC(=O)N1CCO[C@H](c2nn[n-]n2)C1)C[C@@H]1CCCO1 ZINC000740491532 719420420 /nfs/dbraw/zinc/42/04/20/719420420.db2.gz LZUXLSRYFQWAMY-UWVGGRQHSA-N -2 1 340.340 -0.741 20 0 EBADML Cc1n[nH]c(C(=O)N[C@@H]2CCCCN(Cc3nc(=O)n(C)[n-]3)C2)c1[O-] ZINC001034169176 731106880 /nfs/dbraw/zinc/10/68/80/731106880.db2.gz JXTKCAXQKVTPQM-SNVBAGLBSA-N -2 1 349.395 -0.370 20 0 EBADML O=C([O-])C[C@H](C(=O)Oc1[nH]c(=S)nc2nc[n-]c21)[C@@H](O)C(=O)[O-] ZINC001227615759 811931323 /nfs/dbraw/zinc/93/13/23/811931323.db2.gz FFQKRDYJMLNKJW-BBIVZNJYSA-N -3 1 342.289 -0.917 20 0 EBADML COC(=O)c1c[n-]c(O[C@H](CN2CCOCC2)CS(=O)(=O)[O-])n1 ZINC001230280148 812097548 /nfs/dbraw/zinc/09/75/48/812097548.db2.gz MSXYKUJQJRBJHR-SECBINFHSA-N -2 1 349.365 -0.836 20 0 EBADML O=C(NCCCc1c[nH][nH]c1=O)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001148928199 830556357 /nfs/dbraw/zinc/55/63/57/830556357.db2.gz YFWYDLUQEDFPCK-MRVPVSSYSA-N -2 1 341.345 -0.119 20 0 EBADML O=C([O-])[C@H](Cc1ccncc1)NC(=O)CCn1cc[n-]c(=O)c1=O ZINC001329934126 841065459 /nfs/dbraw/zinc/06/54/59/841065459.db2.gz NMNAYGSGOCJNOZ-NSHDSACASA-N -2 1 332.316 -0.866 20 0 EBADML O=C(CCn1cc[n-]c(=O)c1=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001332482488 841650056 /nfs/dbraw/zinc/65/00/56/841650056.db2.gz CJYNLWXZVVQDJY-VIFPVBQESA-N -2 1 334.336 -0.843 20 0 EBADML CCOC(=O)c1n[n-]nc1[C@@H]1CCCN1C(=O)[C@@H](OC)C(=O)[O-] ZINC001591280416 951127558 /nfs/dbraw/zinc/12/75/58/951127558.db2.gz RKTDDCHUBVUPMC-OIBJUYFYSA-N -2 1 326.309 -0.256 20 0 EBADML O=C([O-])CN1CCCC[C@H]([N-]S(=O)(=O)c2ccns2)C1=O ZINC001595096780 951822374 /nfs/dbraw/zinc/82/23/74/951822374.db2.gz OMUWLEUKZPIACE-QMMMGPOBSA-N -2 1 333.391 -0.113 20 0 EBADML O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)CCc3nn[n-]n3)CC2)C1 ZINC001594894924 954559170 /nfs/dbraw/zinc/55/91/70/954559170.db2.gz CAVSNWKHBTXMRK-SECBINFHSA-N -2 1 336.352 -0.944 20 0 EBADML COC(=O)c1c(NC(=O)[C@H]2CC[C@H]2C(=O)[O-])n[n-]c1OCCO ZINC001593868143 955603563 /nfs/dbraw/zinc/60/35/63/955603563.db2.gz SDYUYKKUEIHSIU-NKWVEPMBSA-N -2 1 327.293 -0.383 20 0 EBADML COC(=O)c1c(NC(=O)[C@H]2CC[C@H]2C(=O)[O-])[n-]nc1OCCO ZINC001593868143 955603574 /nfs/dbraw/zinc/60/35/74/955603574.db2.gz SDYUYKKUEIHSIU-NKWVEPMBSA-N -2 1 327.293 -0.383 20 0 EBADML CON(C)C(=O)CN1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC001594040539 957866815 /nfs/dbraw/zinc/86/68/15/957866815.db2.gz MVDIGWHXKWUPJJ-IONNQARKSA-N -2 1 341.286 -0.398 20 0 EBADML Cn1[n-]cc2c(=NC(=O)N3C[C@H]4COC[C@@]4(C(=O)[O-])C3)ccnc1-2 ZINC001552376859 958303121 /nfs/dbraw/zinc/30/31/21/958303121.db2.gz MOOCBRSJMLDFHN-VFZGTOFNSA-N -2 1 331.332 -0.093 20 0 EBADML Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@H]1CC(C(=O)[O-])=NO1 ZINC001594463861 959484433 /nfs/dbraw/zinc/48/44/33/959484433.db2.gz NIBAJRKDCIVYAQ-SNVBAGLBSA-N -2 1 333.304 -0.103 20 0 EBADML O=C([O-])CC[C@H]1C[C@@H](C(=O)N2CCC(O)(c3nn[n-]n3)CC2)CO1 ZINC001574680690 962583392 /nfs/dbraw/zinc/58/33/92/962583392.db2.gz CXLSTIXNHFDEFL-ZJUUUORDSA-N -2 1 339.352 -0.720 20 0 EBADML CN(C)CCN(CC(=O)[O-])S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000322631121 968019952 /nfs/dbraw/zinc/01/99/52/968019952.db2.gz YQCXLFLUIWUSMA-UHFFFAOYSA-N -2 1 347.349 -0.063 20 0 EBADML CCS(=O)(CC)=NS(=O)(=O)[N-]C1(C(=O)[O-])CCOCC1 ZINC001603895195 974394803 /nfs/dbraw/zinc/39/48/03/974394803.db2.gz OXSAQZLPYKNPAX-UHFFFAOYSA-N -2 1 328.412 -0.038 20 0 EBADML CSc1ncc(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])c(=O)[n-]1 ZINC001599828938 988639972 /nfs/dbraw/zinc/63/99/72/988639972.db2.gz GSGAWYDWNLPPOC-WDSKDSINSA-N -2 1 328.350 -0.388 20 0 EBADML CC(C)(CS(=O)(=O)NCc1nc2c(c(=O)[n-]1)COCC2)C(=O)[O-] ZINC001590818241 990650365 /nfs/dbraw/zinc/65/03/65/990650365.db2.gz LDESTQKYVLDKJN-UHFFFAOYSA-N -2 1 345.377 -0.215 20 0 EBADML CS(C)(=O)=NS(=O)(=O)[N-][C@H](Cc1cncs1)C(=O)[O-] ZINC001599780564 992358747 /nfs/dbraw/zinc/35/87/47/992358747.db2.gz FTQQWJXKKIMEGH-SSDOTTSWSA-N -2 1 327.409 -0.299 20 0 EBADML C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](Cn2ccnc2)C(=O)[O-])o1 ZINC001598674700 994821256 /nfs/dbraw/zinc/82/12/56/994821256.db2.gz NHSUKEAYUHNRKL-QMMMGPOBSA-N -2 1 342.333 -0.733 20 0 EBADML COC(=O)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001598699330 995196728 /nfs/dbraw/zinc/19/67/28/995196728.db2.gz VKNKRWJSHKAQRC-YFKPBYRVSA-N -2 1 345.255 -0.120 20 0 EBADML COC(=O)[C@H](Cc1cncs1)[N-]S(=O)(=O)C[C@H](C)C(=O)[O-] ZINC001598704891 995273325 /nfs/dbraw/zinc/27/33/25/995273325.db2.gz PVFPKHFDHPRXFQ-CBAPKCEASA-N -2 1 336.391 -0.133 20 0 EBADML COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H](C[C@H]1CCCOC1)C(=O)[O-] ZINC001599328532 997707251 /nfs/dbraw/zinc/70/72/51/997707251.db2.gz GWYWKENRSUQMON-HTQZYQBOSA-N -2 1 341.320 -0.104 20 0 EBADML COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1C[C@H](OC)C[C@]1(C)C(=O)[O-] ZINC001599328838 997711867 /nfs/dbraw/zinc/71/18/67/997711867.db2.gz POGJNSSMLQPETH-CAAJLBCPSA-N -2 1 327.293 -0.399 20 0 EBADML C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)NCCOCC(=O)[O-])C1 ZINC001594051691 997746500 /nfs/dbraw/zinc/74/65/00/997746500.db2.gz JUECLVDFHIMEBQ-NSHDSACASA-N -2 1 341.286 -0.060 20 0 EBADML COC(=O)c1cc(S(=O)(=O)N2CCC([C@H](O)C(=O)[O-])CC2)[n-]n1 ZINC001598952719 998184652 /nfs/dbraw/zinc/18/46/52/998184652.db2.gz QJHASXPGRKYWIZ-JTQLQIEISA-N -2 1 347.349 -0.958 20 0 EBADML COC(=O)c1cc(S(=O)(=O)N2CCC([C@H](O)C(=O)[O-])CC2)n[n-]1 ZINC001598952719 998184657 /nfs/dbraw/zinc/18/46/57/998184657.db2.gz QJHASXPGRKYWIZ-JTQLQIEISA-N -2 1 347.349 -0.958 20 0 EBADML CO[C@H](CS(=O)(=O)[N-]c1nnc(CC(=O)[O-])[nH]1)[C@@H]1CCOC1 ZINC001599060586 999262400 /nfs/dbraw/zinc/26/24/00/999262400.db2.gz VHHKBAHILZAAFQ-HTQZYQBOSA-N -2 1 334.354 -0.775 20 0 EBADML Cc1cc(C(=O)N[C@@H](CO)[C@H]2CCOC2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC001362309825 1131557546 /nfs/dbraw/zinc/55/75/46/1131557546.db2.gz WMXWKIGEVVDMQZ-WPRPVWTQSA-N -2 1 334.332 -0.128 20 0 EBADML COC(=O)c1oc(S(=O)(=O)[N-]CCc2nc(=O)o[n-]2)cc1C ZINC000595324546 377998701 /nfs/dbraw/zinc/99/87/01/377998701.db2.gz BQQARNNJCKUSRE-UHFFFAOYSA-N -2 1 331.306 -0.428 20 0 EBADML COC(=O)c1coc(S(=O)(=O)[N-][C@@H](CCC(=O)[O-])C(=O)[O-])c1 ZINC000275158787 379740645 /nfs/dbraw/zinc/74/06/45/379740645.db2.gz ZUTHKYUYJSAPKL-ZETCQYMHSA-N -3 1 335.290 -0.338 20 0 EBADML COC(=O)c1ccc(S(=O)(=O)[N-]Cc2cn(CC(=O)[O-])nn2)o1 ZINC000547904458 380170145 /nfs/dbraw/zinc/17/01/45/380170145.db2.gz YENYZFHHVACDHV-UHFFFAOYSA-N -2 1 344.305 -0.779 20 0 EBADML CCC[C@@H](O)[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)o1)C(=O)[O-] ZINC000548262325 380195381 /nfs/dbraw/zinc/19/53/81/380195381.db2.gz GMVRHSPNVNNTHQ-GMSGAONNSA-N -2 1 335.334 -0.041 20 0 EBADML CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000365269737 419247565 /nfs/dbraw/zinc/24/75/65/419247565.db2.gz WTUSBCVULOXWAI-LURJTMIESA-N -2 1 336.274 -0.443 20 0 EBADML CC(C)[C@@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000399579136 419200575 /nfs/dbraw/zinc/20/05/75/419200575.db2.gz LBZLLVZIBPLETQ-PSASIEDQSA-N -2 1 347.393 -0.892 20 0 EBADML O=C(CNC(=O)c1ncccc1[O-])N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000412322976 419300049 /nfs/dbraw/zinc/30/00/49/419300049.db2.gz GNUSHZXICAPWLT-SECBINFHSA-N -2 1 346.347 -0.253 20 0 EBADML CCC[C@@H](O)[C@@H](CO)NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000414029502 419313449 /nfs/dbraw/zinc/31/34/49/419313449.db2.gz YTSKJUZAXZURJQ-NXEZZACHSA-N -2 1 336.348 -0.004 20 0 EBADML COC[C@@H]1C[C@@H](O)CN1C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000652781723 419451762 /nfs/dbraw/zinc/45/17/62/419451762.db2.gz MVIWOKHSSLHYLK-DTWKUNHWSA-N -2 1 334.332 -0.034 20 0 EBADML CCC[C@H](O)[C@H]([N-]S(=O)(=O)c1ncn(C)c1Cl)C(=O)[O-] ZINC000776612882 583407133 /nfs/dbraw/zinc/40/71/33/583407133.db2.gz CTBMBBVVRPDATP-BQBZGAKWSA-N -2 1 325.774 -0.034 20 0 EBADML C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@]2(COC)C(=O)[O-])co1 ZINC000818311316 583741353 /nfs/dbraw/zinc/74/13/53/583741353.db2.gz LUDKJCVLUFYUBP-CYBMUJFWSA-N -2 1 346.361 -0.107 20 0 EBADML O=C([N-]S(=O)(=O)N1CCOCC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823284723 583827687 /nfs/dbraw/zinc/82/76/87/583827687.db2.gz IYGGKMBLFPOYJM-UHFFFAOYSA-N -2 1 344.378 -0.765 20 0 EBADML O=C([N-]S(=O)(=O)N1CCOCC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823284723 583827689 /nfs/dbraw/zinc/82/76/89/583827689.db2.gz IYGGKMBLFPOYJM-UHFFFAOYSA-N -2 1 344.378 -0.765 20 0 EBADML Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2cn3c(n2)CCCC3)n1 ZINC000826357334 583893725 /nfs/dbraw/zinc/89/37/25/583893725.db2.gz BAUOOQFJDPSGTI-UHFFFAOYSA-N -2 1 349.380 -0.066 20 0 EBADML Cn1cc(-c2nn[n-]n2)c([N-]S(=O)(=O)c2cn3c(n2)CCCC3)n1 ZINC000826357334 583893727 /nfs/dbraw/zinc/89/37/27/583893727.db2.gz BAUOOQFJDPSGTI-UHFFFAOYSA-N -2 1 349.380 -0.066 20 0 EBADML Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000830785275 583970919 /nfs/dbraw/zinc/97/09/19/583970919.db2.gz KSIJJUPWDSBFBI-KOLCDFICSA-N -2 1 349.347 -0.219 20 0 EBADML C[C@H](C(N)=O)N(C)C(=O)c1ccc(-n2[n-]c(CC(=O)[O-])cc2=O)cc1 ZINC000833407482 584010078 /nfs/dbraw/zinc/01/00/78/584010078.db2.gz LKRONZVNUHQPGU-SECBINFHSA-N -2 1 346.343 -0.262 20 0 EBADML O=C([O-])N1CCC[C@H](n2cc(C(=O)NN3CC(=O)[N-]C3=O)cn2)C1 ZINC000834290902 584030931 /nfs/dbraw/zinc/03/09/31/584030931.db2.gz YQOSYRZIOBQWMI-VIFPVBQESA-N -2 1 336.308 -0.605 20 0 EBADML Cn1cc(S(=O)(=O)[N-]C2(C(=O)[O-])CCCCC2)c(=O)n(C)c1=O ZINC000320269642 597331806 /nfs/dbraw/zinc/33/18/06/597331806.db2.gz DVNXZRJVULHRCD-UHFFFAOYSA-N -2 1 345.377 -0.850 20 0 EBADML CN(CC1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)CC1)C(=O)[O-] ZINC000739644304 602407208 /nfs/dbraw/zinc/40/72/08/602407208.db2.gz MUGWXCMDMMWYBW-UHFFFAOYSA-N -2 1 338.364 -0.225 20 0 EBADML O=C([O-])N[C@H](Cc1ccccc1)C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000740538787 602500974 /nfs/dbraw/zinc/50/09/74/602500974.db2.gz YXQUMEDVBCHLJM-NEPJUHHUSA-N -2 1 346.347 -0.022 20 0 EBADML O=C(NC[C@@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O)c1ncccc1[O-] ZINC000949535290 653922292 /nfs/dbraw/zinc/92/22/92/653922292.db2.gz RHRZRXICRLWROE-ZETCQYMHSA-N -2 1 346.303 -0.972 20 0 EBADML Cc1[nH]nc(C(=O)N2CC[C@@H]3[C@@H](CCN3Cc3n[nH]c(=O)[n-]3)C2)c1[O-] ZINC001036691769 731264269 /nfs/dbraw/zinc/26/42/69/731264269.db2.gz VCSRKAHNGSUFNS-VHSXEESVSA-N -2 1 347.379 -0.016 20 0 EBADML O=C(c1cnc[nH]c1=O)N1CC[C@H]2CC[N@H+](Cc3n[nH]c(=O)[n-]3)[C@@H]2C1 ZINC001042108602 732319870 /nfs/dbraw/zinc/31/98/70/732319870.db2.gz DYHXLHCMWPFNFH-MWLCHTKSSA-N -2 1 345.363 -0.258 20 0 EBADML C[C@@H]1OCc2c1nc(=O)[nH]c2OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001227715759 811940152 /nfs/dbraw/zinc/94/01/52/811940152.db2.gz GBENNCNNHNFTIT-PJPYAQQDSA-N -2 1 342.260 -0.785 20 0 EBADML COc1ccc2nc(OC(=O)[C@H](O)COP(=O)([O-])[O-])[nH]c2c1 ZINC001229726981 812052495 /nfs/dbraw/zinc/05/24/95/812052495.db2.gz AGENLEHFZUTITJ-SECBINFHSA-N -2 1 332.205 -0.053 20 0 EBADML CC(C)c1nc(C(N)=O)c(OC(=O)[C@H](O)CCC(=O)[O-])c(=O)[n-]1 ZINC001234561348 812438291 /nfs/dbraw/zinc/43/82/91/812438291.db2.gz LIZBGPFBHGIMPX-ZCFIWIBFSA-N -2 1 327.293 -0.464 20 0 EBADML NC(=O)[C@@]12C[C@@H]1CN(C(=O)c1cc(S(=O)(=O)[O-])ccc1[O-])C2 ZINC001269672071 814762601 /nfs/dbraw/zinc/76/26/01/814762601.db2.gz ZKPBMAYZLXVUGD-FUXBKTLASA-N -2 1 326.330 -0.414 20 0 EBADML O=C(c1ncccc1[O-])N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001084299869 815886125 /nfs/dbraw/zinc/88/61/25/815886125.db2.gz JVTATBWIVOJPMJ-NXEZZACHSA-N -2 1 330.348 -0.043 20 0 EBADML CC(C)Cn1[n-]c(CC(=O)NCCNCc2n[nH]c(=O)[n-]2)cc1=O ZINC001130926130 828996674 /nfs/dbraw/zinc/99/66/74/828996674.db2.gz XRQQWLPUHQPWDD-UHFFFAOYSA-N -2 1 337.384 -0.895 20 0 EBADML O=C(N[C@@H](CO)Cc1c[nH]cn1)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001148928179 830557626 /nfs/dbraw/zinc/55/76/26/830557626.db2.gz XJDZCGLAAJMNOY-SECBINFHSA-N -2 1 341.345 -0.305 20 0 EBADML Cn1ccc(C(=O)Nc2[nH]c(=O)nc3[n-]c(=O)[nH]c32)c1CC(=O)[O-] ZINC001177369240 832777908 /nfs/dbraw/zinc/77/79/08/832777908.db2.gz MIEJXASGDUWTCB-UHFFFAOYSA-N -2 1 332.276 -0.066 20 0 EBADML C[C@H](C(=O)N[C@@H](C)c1nn(C)cc1[O-])n1cnc(-c2nn[n-]n2)n1 ZINC001575250974 949121293 /nfs/dbraw/zinc/12/12/93/949121293.db2.gz JOAMJGSLAZUWOV-NKWVEPMBSA-N -2 1 332.328 -0.664 20 0 EBADML C[C@@H]1CCNC(=O)[C@H]1NCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001576213473 950629229 /nfs/dbraw/zinc/62/92/29/950629229.db2.gz ARGPMVLLNWYGNI-HQJQHLMTSA-N -2 1 343.351 -0.771 20 0 EBADML C[C@@]1([N-]C(=O)C(F)(F)F)CCN([C@H]2CCN(CC(=O)[O-])C2=O)C1 ZINC001589246818 956935912 /nfs/dbraw/zinc/93/59/12/956935912.db2.gz YCBUYLUPURUPKM-QPUJVOFHSA-N -2 1 337.298 -0.185 20 0 EBADML COC(=O)[C@](C)(CO)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001571196434 962316337 /nfs/dbraw/zinc/31/63/37/962316337.db2.gz MXNJHYIDBNAGPZ-ZDUSSCGKSA-N -2 1 331.346 -0.272 20 0 EBADML O=C([O-])C1(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)CCSCC1 ZINC001605916260 972792680 /nfs/dbraw/zinc/79/26/80/972792680.db2.gz PCFVGBUJTDTKMY-QMMMGPOBSA-N -2 1 327.366 -0.302 20 0 EBADML O=C([O-])C1(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)CCSCC1 ZINC001605916259 972792869 /nfs/dbraw/zinc/79/28/69/972792869.db2.gz PCFVGBUJTDTKMY-MRVPVSSYSA-N -2 1 327.366 -0.302 20 0 EBADML O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1cnc(C2CC2)[n-]c1=O ZINC001606057012 973172496 /nfs/dbraw/zinc/17/24/96/973172496.db2.gz KAJSOLDDCMEPNM-SECBINFHSA-N -2 1 341.345 -0.617 20 0 EBADML CCC(CC)(NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)c1nn[n-]n1 ZINC001603543088 973597325 /nfs/dbraw/zinc/59/73/25/973597325.db2.gz FJAJCKMFKQOZRV-SECBINFHSA-N -2 1 338.368 -0.346 20 0 EBADML CCC(NCCCC(=O)[O-])=C1C(=O)[N-]C(=S)N(CCOC)C1=O ZINC001595294494 980410091 /nfs/dbraw/zinc/41/00/91/980410091.db2.gz RNUABJBNNGSKJZ-PKNBQFBNSA-N -2 1 343.405 -0.005 20 0 EBADML CCOC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)[C@@H](O)C(=O)[O-])o1 ZINC001596726348 984982484 /nfs/dbraw/zinc/98/24/84/984982484.db2.gz OPKUIOURAVYLTL-VIFPVBQESA-N -2 1 335.334 -0.041 20 0 EBADML CCOC(=O)c1n[n-]nc1[C@H]1CCCN1C(=O)COCC(=O)[O-] ZINC001596754546 985115292 /nfs/dbraw/zinc/11/52/92/985115292.db2.gz QIOLOEYCVVKPEB-MRVPVSSYSA-N -2 1 326.309 -0.254 20 0 EBADML CN(C)CCN(CC(=O)[O-])S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC001598224307 990906282 /nfs/dbraw/zinc/90/62/82/990906282.db2.gz DLFHNWPYGOZVJA-UHFFFAOYSA-N -2 1 344.389 -0.049 20 0 EBADML CN(C)[S@@](C)(=O)=NS(=O)(=O)[N-]Cc1cc(C(=O)[O-])co1 ZINC001598283329 991173437 /nfs/dbraw/zinc/17/34/37/991173437.db2.gz IRUVHSYWLJCODN-IBGZPJMESA-N -2 1 325.368 -0.113 20 0 EBADML C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C(=O)[O-])c2ccnn2C)co1 ZINC001598673297 994795683 /nfs/dbraw/zinc/79/56/83/994795683.db2.gz LJRMCJVIQSUODP-JTQLQIEISA-N -2 1 342.333 -0.523 20 0 EBADML COC(=O)C1(NC(=O)CCc2nn[n-]n2)CCC(C(=O)[O-])CC1 ZINC001598721859 995488962 /nfs/dbraw/zinc/48/89/62/995488962.db2.gz DQRXORWQVGDMEG-UHFFFAOYSA-N -2 1 325.325 -0.565 20 0 EBADML CON(C)C(=O)C[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001599314464 997474094 /nfs/dbraw/zinc/47/40/94/997474094.db2.gz DZWYXDCMPIPUFD-UHFFFAOYSA-N -2 1 338.288 -0.039 20 0 EBADML COC(=O)c1c(NC(=O)[C@H]2C[C@@H](C(=O)[O-])C2)n[n-]c1OCCO ZINC001598917099 997492999 /nfs/dbraw/zinc/49/29/99/997492999.db2.gz ZZEVYQZYEFJYGC-KNVOCYPGSA-N -2 1 327.293 -0.383 20 0 EBADML COC(=O)c1c(OCCO)n[n-]c1NC(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598917099 997493008 /nfs/dbraw/zinc/49/30/08/997493008.db2.gz ZZEVYQZYEFJYGC-KNVOCYPGSA-N -2 1 327.293 -0.383 20 0 EBADML COC[C@@](C)([N-]S(=O)(=O)c1nc[nH]c1Br)C(=O)[O-] ZINC001599154985 998357225 /nfs/dbraw/zinc/35/72/25/998357225.db2.gz COTGNWUMACBJRC-MRVPVSSYSA-N -2 1 342.171 -0.060 20 0 EBADML CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N(C)c2nn[n-]n2)c1 ZINC001363316772 1131893843 /nfs/dbraw/zinc/89/38/43/1131893843.db2.gz DPFFUFFCCKTJQJ-UHFFFAOYSA-N -2 1 326.338 -0.568 20 0 EBADML Cc1cc(C(=O)N2C[C@H](CO)[C@H](CCO)C2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC001365157239 1132562832 /nfs/dbraw/zinc/56/28/32/1132562832.db2.gz DQUHQSIOISLLFY-NXEZZACHSA-N -2 1 348.359 -0.193 20 0 EBADML Cc1cc(C(=O)NCC(=O)N2CCCO2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000627881574 379724528 /nfs/dbraw/zinc/72/45/28/379724528.db2.gz AVIUZKKCRZVMAC-UHFFFAOYSA-N -2 1 333.304 -0.362 20 0 EBADML COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H]2CCOC2)o1 ZINC000547553082 380143977 /nfs/dbraw/zinc/14/39/77/380143977.db2.gz AHDQRLCZIPGYMQ-OIBJUYFYSA-N -2 1 333.318 -0.166 20 0 EBADML Cn1cc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])c(=O)n(C)c1=O ZINC000013305597 381122546 /nfs/dbraw/zinc/12/25/46/381122546.db2.gz CHZZKAAEUAXAKX-UHFFFAOYSA-N -2 1 339.329 -0.417 20 0 EBADML Cc1cc(C(=O)N[C@@]2(C(N)=O)CCOC2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000584730676 381204939 /nfs/dbraw/zinc/20/49/39/381204939.db2.gz UAZGADFRIRBAGY-AWEZNQCLSA-N -2 1 333.304 -0.881 20 0 EBADML Cc1cc(C(=O)N2C[C@H](CO)OC[C@H]2C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000352629671 382014449 /nfs/dbraw/zinc/01/44/49/382014449.db2.gz JINZYJTWZADPRK-RKDXNWHRSA-N -2 1 334.332 -0.034 20 0 EBADML C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](C(=O)[O-])[C@H]2CCCOC2)o1 ZINC000262856761 154249280 /nfs/dbraw/zinc/24/92/80/154249280.db2.gz SXMCDRFPBLLUGV-KWQFWETISA-N -2 1 346.361 -0.203 20 0 EBADML CCOC(=O)[C@@H](CO)NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000360600697 157388142 /nfs/dbraw/zinc/38/81/42/157388142.db2.gz UCTDNXMSQJFOOP-MRVPVSSYSA-N -2 1 336.304 -0.602 20 0 EBADML CC[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000296842539 286830755 /nfs/dbraw/zinc/83/07/55/286830755.db2.gz BYGUFAXLCMEZFX-QMMMGPOBSA-N -2 1 333.366 -0.994 20 0 EBADML CC(C)[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000399579138 419200994 /nfs/dbraw/zinc/20/09/94/419200994.db2.gz LBZLLVZIBPLETQ-WCBMZHEXSA-N -2 1 347.393 -0.892 20 0 EBADML COc1cnc(C(=O)[N-]c2nnc([N-]S(C)(=O)=O)s2)nc1 ZINC000339079646 420562964 /nfs/dbraw/zinc/56/29/64/420562964.db2.gz ZRYLCRWUUCKVSG-UHFFFAOYSA-N -2 1 330.351 -0.040 20 0 EBADML CCOC(=O)CC[C@H]([N-]S(=O)(=O)c1c(C)onc1N)C(=O)[O-] ZINC000569248347 420622224 /nfs/dbraw/zinc/62/22/24/420622224.db2.gz LPGRBGKPIHNANT-ZETCQYMHSA-N -2 1 335.338 -0.360 20 0 EBADML Cc1cc(C(=O)NCCc2nnnn2C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000678544971 546258345 /nfs/dbraw/zinc/25/83/45/546258345.db2.gz HXEBHKVYSVPHFK-UHFFFAOYSA-N -2 1 330.308 -0.760 20 0 EBADML Cn1c(CCNC(=O)c2cnc3[nH]c(=O)nc([O-])c3c2)n[n-]c1=S ZINC000729281274 582690059 /nfs/dbraw/zinc/69/00/59/582690059.db2.gz TZVXIKVJAQBFAC-UHFFFAOYSA-N -2 1 347.360 -0.174 20 0 EBADML NC(=O)C[C@@H]([N-]S(=O)(=O)c1c(Cl)ccnc1Cl)C(=O)[O-] ZINC000776445143 583404508 /nfs/dbraw/zinc/40/45/08/583404508.db2.gz RSKXQCXXSPNVLW-RXMQYKEDSA-N -2 1 342.160 -0.005 20 0 EBADML Cn1cnc(S(=O)(=O)[N-]C[C@](C)(CC(=O)[O-])C(=O)[O-])c1Cl ZINC000776585408 583406782 /nfs/dbraw/zinc/40/67/82/583406782.db2.gz RPUOQWNAQSKADT-JTQLQIEISA-N -3 1 339.757 -0.083 20 0 EBADML CC(=O)NCCN(C(=O)c1nc2ccccc2c(=O)[n-]1)[C@H](C)C(=O)[O-] ZINC000819762580 583760853 /nfs/dbraw/zinc/76/08/53/583760853.db2.gz QHHYBVSIZNIVDN-SECBINFHSA-N -2 1 346.343 -0.026 20 0 EBADML Cn1cc(-c2nn[n-]n2)c([N-]S(=O)(=O)c2cnc(Cl)n2C)n1 ZINC000822622913 583814605 /nfs/dbraw/zinc/81/46/05/583814605.db2.gz JZQMUYFKRHPPOV-UHFFFAOYSA-N -2 1 343.760 -0.212 20 0 EBADML C[C@H]1CCCN(C(=O)CCn2cc[n-]c(=O)c2=O)[C@@H]1CNC(=O)[O-] ZINC000825904315 583870353 /nfs/dbraw/zinc/87/03/53/583870353.db2.gz DYBHAMDTOGBZAI-WDEREUQCSA-N -2 1 338.364 -0.179 20 0 EBADML Cn1cc(S(=O)(=O)[N-]c2n[nH]cc2-c2nn[n-]n2)nc1Cl ZINC000826362061 583894559 /nfs/dbraw/zinc/89/45/59/583894559.db2.gz BMEHZMZWVOXRJA-UHFFFAOYSA-N -2 1 329.733 -0.223 20 0 EBADML O=C([N-]S(=O)(=O)C[C@@H]1CCOC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826449782 583902788 /nfs/dbraw/zinc/90/27/88/583902788.db2.gz JRWKGFMZJFOHHA-MRVPVSSYSA-N -2 1 338.349 -0.642 20 0 EBADML O=C([N-]S(=O)(=O)C[C@@H]1CCOC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826449782 583902789 /nfs/dbraw/zinc/90/27/89/583902789.db2.gz JRWKGFMZJFOHHA-MRVPVSSYSA-N -2 1 338.349 -0.642 20 0 EBADML CCCCC[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000829347220 583952709 /nfs/dbraw/zinc/95/27/09/583952709.db2.gz HZXNDGMBMQTBSG-SECBINFHSA-N -2 1 347.393 -0.604 20 0 EBADML O=C([O-])N1CCSC[C@@H]1CC(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000831403553 583982338 /nfs/dbraw/zinc/98/23/38/583982338.db2.gz YIRYUDBRJIEXPD-DTWKUNHWSA-N -2 1 342.381 -0.415 20 0 EBADML COC[C@@](C)(NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1)C(=O)[O-] ZINC000831613486 583988342 /nfs/dbraw/zinc/98/83/42/583988342.db2.gz WGRSAMBEKNVWKP-CQSZACIVSA-N -3 1 336.304 -0.036 20 0 EBADML O=C([O-])Cc1cc(=O)n(-c2ccc(C(=O)N3CC[C@H](O)C3)cc2)[n-]1 ZINC000833264996 584007754 /nfs/dbraw/zinc/00/77/54/584007754.db2.gz PPAWCLJDFRHDBA-ZDUSSCGKSA-N -2 1 331.328 -0.001 20 0 EBADML O=C(C[C@H]1CN(C(=O)[O-])CCO1)Nc1nc(SCCO)n[nH]1 ZINC000833987159 584023177 /nfs/dbraw/zinc/02/31/77/584023177.db2.gz HEJGUAGHLSTHHW-ZETCQYMHSA-N -2 1 331.354 -0.404 20 0 EBADML O=C([O-])N1CCC2(C[C@@H]2C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)CC1 ZINC000834086225 584025986 /nfs/dbraw/zinc/02/59/86/584025986.db2.gz CEHOQVYHBTYXQN-NXEZZACHSA-N -2 1 336.352 -0.120 20 0 EBADML O=C([O-])N1CCO[C@H](C(=O)OCCC[N-]C(=O)C(F)(F)F)C1 ZINC000834286139 584030436 /nfs/dbraw/zinc/03/04/36/584030436.db2.gz VNCGXWWFRNOLSE-ZETCQYMHSA-N -2 1 328.243 -0.023 20 0 EBADML Cn1[n-]cc2c(=NC(=O)N3C[C@@H]4COC[C@]4(C(=O)[O-])C3)ccnc1-2 ZINC000849239124 584167639 /nfs/dbraw/zinc/16/76/39/584167639.db2.gz MOOCBRSJMLDFHN-RFAUZJTJSA-N -2 1 331.332 -0.093 20 0 EBADML O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)CCn1cc[n-]c(=O)c1=O ZINC000739622811 600573711 /nfs/dbraw/zinc/57/37/11/600573711.db2.gz PXOMOBSFTAFOOU-ZDUSSCGKSA-N -2 1 343.339 -0.035 20 0 EBADML O=C([O-])N1[C@@H]2CC[C@H]1CC(NC(=O)CCn1cc[n-]c(=O)c1=O)C2 ZINC000740365204 603012207 /nfs/dbraw/zinc/01/22/07/603012207.db2.gz HCCSRSBBUUILIA-FGWVZKOKSA-N -2 1 336.348 -0.284 20 0 EBADML C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](CNC(=O)[O-])C2CC2)o1 ZINC000739752355 603039690 /nfs/dbraw/zinc/03/96/90/603039690.db2.gz LLHONFXTGWKIBL-QMMMGPOBSA-N -2 1 331.350 -0.036 20 0 EBADML O=C(N[C@H]1CCN(C(=O)c2ncccc2[O-])C1)c1n[nH]c(=O)[n-]c1=O ZINC000938349944 652206189 /nfs/dbraw/zinc/20/61/89/652206189.db2.gz MXNHKGPLYMFFGY-ZETCQYMHSA-N -2 1 346.303 -0.972 20 0 EBADML O=C(c1ccc2oc(=O)nc-2[n-]1)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000970471832 725294564 /nfs/dbraw/zinc/29/45/64/725294564.db2.gz HILCHNZVGSAVIW-SSDOTTSWSA-N -2 1 345.319 -0.244 20 0 EBADML O=C(c1cnc[nH]c1=O)N1CC[C@H]2CC[N@H+](Cc3n[nH]c(=O)[n-]3)[C@H]2C1 ZINC001042108597 732319929 /nfs/dbraw/zinc/31/99/29/732319929.db2.gz DYHXLHCMWPFNFH-KOLCDFICSA-N -2 1 345.363 -0.258 20 0 EBADML O=C([O-])C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(=O)[O-] ZINC000316986717 803766583 /nfs/dbraw/zinc/76/65/83/803766583.db2.gz IOHKRXAYMZLCKN-ZCFIWIBFSA-N -3 1 336.253 -0.060 20 0 EBADML O=C(NC[C@]1(O)CCNC[C@@H]1F)c1ccccc1OP(=O)([O-])[O-] ZINC001219625898 810777499 /nfs/dbraw/zinc/77/74/99/810777499.db2.gz HFBORCUCDVWLHD-WCQYABFASA-N -2 1 348.267 -0.050 20 0 EBADML COc1cnc(=S)[n-]c1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001226247199 811855289 /nfs/dbraw/zinc/85/52/89/811855289.db2.gz UUUMIULETCBKCC-FFWSUHOLSA-N -3 1 332.290 -0.784 20 0 EBADML O=[P@]([O-])(O)CC[N-]S(=O)(=O)c1nc2nc(Cl)ccn2n1 ZINC001260179024 812829507 /nfs/dbraw/zinc/82/95/07/812829507.db2.gz ZFJSSRYTWGZROR-UHFFFAOYSA-N -2 1 341.673 -0.766 20 0 EBADML O=C(c1cc(S(=O)(=O)[O-])ccc1[O-])N1CC[C@@H](O)[C@@H](CO)C1 ZINC001148916713 830555138 /nfs/dbraw/zinc/55/51/38/830555138.db2.gz CXFSJQHLKIMPQO-LDYMZIIASA-N -2 1 331.346 -0.546 20 0 EBADML CS(=O)(=O)[C@H]1C[C@H](NC(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])C1 ZINC001148927148 830556799 /nfs/dbraw/zinc/55/67/99/830556799.db2.gz GAOFYSMZTKWJKN-XWEPSHTISA-N -2 1 349.386 -0.056 20 0 EBADML C[C@H]1[C@H](NC(=O)c2[n-][nH]c3cc(=O)ccc2-3)C(=O)N1S(=O)(=O)[O-] ZINC001155269564 831397248 /nfs/dbraw/zinc/39/72/48/831397248.db2.gz KHVWVWQQIGBQRJ-CDUCUWFYSA-N -2 1 340.317 -0.600 20 0 EBADML Cc1cc2c(c(N[C@@H]3C(=O)N(S(=O)(=O)[O-])[C@H]3C)n1)C(=O)[N-]C2=O ZINC001157072529 831531183 /nfs/dbraw/zinc/53/11/83/831531183.db2.gz GRZIBMGPMKUPOF-XNCJUZBTSA-N -2 1 340.317 -0.912 20 0 EBADML O=C(CCn1cc[n-]c(=O)c1=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001332482485 841650351 /nfs/dbraw/zinc/65/03/51/841650351.db2.gz CJYNLWXZVVQDJY-SECBINFHSA-N -2 1 334.336 -0.843 20 0 EBADML C[C@H](NC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1)c1nn(C)cc1[O-] ZINC001575250973 949123113 /nfs/dbraw/zinc/12/31/13/949123113.db2.gz JOAMJGSLAZUWOV-BQBZGAKWSA-N -2 1 332.328 -0.664 20 0 EBADML Cn1ncc(S(=O)(=O)[N-]CCOCC(=O)[O-])c1C(F)(F)F ZINC001594586569 956003106 /nfs/dbraw/zinc/00/31/06/956003106.db2.gz QIDVDYCKSFKLQN-UHFFFAOYSA-N -2 1 331.272 -0.182 20 0 EBADML CC[C@H](C)[C@H](NC(=O)[O-])C(=O)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001571173526 962070937 /nfs/dbraw/zinc/07/09/37/962070937.db2.gz VEJXAKCGUUPENM-IUCAKERBSA-N -2 1 326.357 -0.308 20 0 EBADML CNC(=O)[C@H](O)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1 ZINC001571174343 962086057 /nfs/dbraw/zinc/08/60/57/962086057.db2.gz RPPXQPKOOOVDCY-RXMQYKEDSA-N -2 1 326.714 -0.984 20 0 EBADML O=C([O-])CC1(NC(=O)c2ccc([O-])cn2)CCS(=O)(=O)CC1 ZINC001571179064 962129854 /nfs/dbraw/zinc/12/98/54/962129854.db2.gz DOTJRAWFHWZTMN-UHFFFAOYSA-N -2 1 328.346 -0.061 20 0 EBADML CC(C)C[C@H](NC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2)C(=O)[O-] ZINC001609808192 970538886 /nfs/dbraw/zinc/53/88/86/970538886.db2.gz DFSKXIQHCYPCCL-NSHDSACASA-N -2 1 333.348 -0.104 20 0 EBADML CC(C)[C@H](C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1)N(C)C ZINC001591852318 976135329 /nfs/dbraw/zinc/13/53/29/976135329.db2.gz JBGPKHCTJBNVPH-LLVKDONJSA-N -2 1 335.426 -0.270 20 0 EBADML CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]C[C@H]1CCO[C@H]1C(=O)[O-] ZINC001596736406 985026651 /nfs/dbraw/zinc/02/66/51/985026651.db2.gz WQUYVTXPFPNPMU-VXNVDRBHSA-N -2 1 347.349 -0.646 20 0 EBADML CC(C)(CS(=O)(=O)N[C@H](CN1CCCCC1)C(=O)[O-])C(=O)[O-] ZINC001590799417 990629341 /nfs/dbraw/zinc/62/93/41/990629341.db2.gz UTXOUUJRKDPZOF-SNVBAGLBSA-N -2 1 336.410 -0.044 20 0 EBADML CN(C)[S@](C)(=O)=NS(=O)(=O)[N-]Cc1ncc(C(=O)[O-])s1 ZINC001598284063 991179545 /nfs/dbraw/zinc/17/95/45/991179545.db2.gz XTOVKIISPTXFOH-LJQANCHMSA-N -2 1 342.424 -0.250 20 0 EBADML C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C(=O)[O-])c2ccnn2C)co1 ZINC001598673298 994795584 /nfs/dbraw/zinc/79/55/84/994795584.db2.gz LJRMCJVIQSUODP-SNVBAGLBSA-N -2 1 342.333 -0.523 20 0 EBADML COC(=O)[C@@H](Cc1ccncc1)[N-]S(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001598704762 995271265 /nfs/dbraw/zinc/27/12/65/995271265.db2.gz OYDRZGWZKKFELV-LLVKDONJSA-N -2 1 342.373 -0.050 20 0 EBADML COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1C[C@@H](OC)C[C@]1(C)C(=O)[O-] ZINC001599328840 997711624 /nfs/dbraw/zinc/71/16/24/997711624.db2.gz POGJNSSMLQPETH-DAZKTRTLSA-N -2 1 327.293 -0.399 20 0 EBADML CSc1nc(=O)[n-]c(C)c1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC001362641325 1131630594 /nfs/dbraw/zinc/63/05/94/1131630594.db2.gz BETSILUAIMKDHF-UHFFFAOYSA-N -2 1 348.406 -0.592 20 0 EBADML O=c1nc(CC[N-]S(=O)(=O)c2nc[nH]c2Br)[n-]o1 ZINC001365703589 1132768923 /nfs/dbraw/zinc/76/89/23/1132768923.db2.gz HEYZKSHMANUHRM-UHFFFAOYSA-N -2 1 338.143 -0.631 20 0 EBADML COC(=O)C[C@H](O)CNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000600467496 376369291 /nfs/dbraw/zinc/36/92/91/376369291.db2.gz PGLCSZYLDAAKLQ-ZETCQYMHSA-N -2 1 336.304 -0.602 20 0 EBADML CS(=O)(=O)[N-]c1nnc([N-]C(=O)c2ccnc3n[nH]nc32)s1 ZINC000339270638 378875148 /nfs/dbraw/zinc/87/51/48/378875148.db2.gz PATFVVFLSFFMBH-UHFFFAOYSA-N -2 1 340.350 -0.172 20 0 EBADML COC(=O)CC[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)o1)C(=O)[O-] ZINC000275244949 379746269 /nfs/dbraw/zinc/74/62/69/379746269.db2.gz KRNKVOGBBQBVAF-SSDOTTSWSA-N -2 1 349.317 -0.249 20 0 EBADML CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H](CC(F)F)C(=O)[O-] ZINC000275335825 379751657 /nfs/dbraw/zinc/75/16/57/379751657.db2.gz UQZFQOVOIUHJNC-ZCFIWIBFSA-N -2 1 341.292 -0.027 20 0 EBADML COC(=O)c1coc(S(=O)(=O)[N-][C@H](CCC(=O)[O-])C(=O)[O-])c1 ZINC000614327780 379921368 /nfs/dbraw/zinc/92/13/68/379921368.db2.gz ZUTHKYUYJSAPKL-SSDOTTSWSA-N -3 1 335.290 -0.338 20 0 EBADML C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@H](OC)C[C@]2(C)C(=O)[O-])o1 ZINC000630310744 380035937 /nfs/dbraw/zinc/03/59/37/380035937.db2.gz KGVCTABKWQCOSI-AMIZOPFISA-N -2 1 346.361 -0.108 20 0 EBADML COC(=O)c1coc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H]2CCOC2)c1 ZINC000547551739 380143896 /nfs/dbraw/zinc/14/38/96/380143896.db2.gz LHZWXWIIHYMRGX-GMSGAONNSA-N -2 1 333.318 -0.166 20 0 EBADML CCn1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H]2CCOC2)c([N+](=O)[O-])n1 ZINC000547557361 380144058 /nfs/dbraw/zinc/14/40/58/380144058.db2.gz MPOHOVHSTSROQH-VXNVDRBHSA-N -2 1 348.337 -0.421 20 0 EBADML COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H]2CCOC2)o1 ZINC000547553081 380144072 /nfs/dbraw/zinc/14/40/72/380144072.db2.gz AHDQRLCZIPGYMQ-GMSGAONNSA-N -2 1 333.318 -0.166 20 0 EBADML COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@](C)(CC(=O)[O-])C(=O)[O-])o1 ZINC000547940339 380173251 /nfs/dbraw/zinc/17/32/51/380173251.db2.gz YACUDTASRJLIKP-GFCCVEGCSA-N -3 1 349.317 -0.090 20 0 EBADML CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]C[C@H](CC(=O)[O-])OC ZINC000577691282 380836712 /nfs/dbraw/zinc/83/67/12/380836712.db2.gz NNZUGTWJLWDNLH-ZETCQYMHSA-N -2 1 335.338 -0.646 20 0 EBADML Cc1cc(C(=O)N2CC(=O)N(C)C(=O)C2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000579000337 380962853 /nfs/dbraw/zinc/96/28/53/380962853.db2.gz BXWBDBVRSJGCEL-UHFFFAOYSA-N -2 1 331.288 -0.815 20 0 EBADML C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](C(=O)[O-])[C@@H]2CCCOC2)o1 ZINC000262856762 154250001 /nfs/dbraw/zinc/25/00/01/154250001.db2.gz SXMCDRFPBLLUGV-LDYMZIIASA-N -2 1 346.361 -0.203 20 0 EBADML C[N-]S(=O)(=O)c1ccc(C(=O)NCCCc2n[nH]c(=O)[n-]2)o1 ZINC000343564725 156143730 /nfs/dbraw/zinc/14/37/30/156143730.db2.gz CKRRAZVUFVDYSW-UHFFFAOYSA-N -2 1 329.338 -0.626 20 0 EBADML CC(C)[C@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000399579139 419201008 /nfs/dbraw/zinc/20/10/08/419201008.db2.gz LBZLLVZIBPLETQ-WPRPVWTQSA-N -2 1 347.393 -0.892 20 0 EBADML Cn1cc(S(=O)(=O)[N-]CCOCC(=O)[O-])c(C(F)(F)F)n1 ZINC000645939596 420527236 /nfs/dbraw/zinc/52/72/36/420527236.db2.gz VRKYDKGNHMMDFL-UHFFFAOYSA-N -2 1 331.272 -0.182 20 0 EBADML CS(=O)(=O)[N-]c1nnc([N-]C(=O)c2ccc3n[nH]nc3n2)s1 ZINC000347029420 420579767 /nfs/dbraw/zinc/57/97/67/420579767.db2.gz WITNHQOEBFMMPJ-UHFFFAOYSA-N -2 1 340.350 -0.172 20 0 EBADML Cc1cc(C(=O)N2CCN3C(=O)N=NC3C2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000438445708 265257042 /nfs/dbraw/zinc/25/70/42/265257042.db2.gz SRFAYTZZPOMYTF-UHFFFAOYSA-N -2 1 343.303 -0.302 20 0 EBADML Cc1cc(C(=O)N2C[C@@H](C)O[C@H](CO)C2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000347533235 301119202 /nfs/dbraw/zinc/11/92/02/301119202.db2.gz PCSUJEGXESBFBX-BDAKNGLRSA-N -2 1 334.332 -0.034 20 0 EBADML Cc1cc(C(=O)N[C@@H]2C(=O)NCC[C@H]2C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000281651474 301136789 /nfs/dbraw/zinc/13/67/89/301136789.db2.gz BKBWXXYMUNECDK-LDWIPMOCSA-N -2 1 331.332 -0.001 20 0 EBADML Cn1nncc1S(=O)(=O)[N-]c1ccccc1[N-]S(C)(=O)=O ZINC000682833127 546340750 /nfs/dbraw/zinc/34/07/50/546340750.db2.gz VSLSLJKHQYTHMP-UHFFFAOYSA-N -2 1 331.379 -0.013 20 0 EBADML O=C([O-])CNC(=O)C[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000777913044 583416507 /nfs/dbraw/zinc/41/65/07/583416507.db2.gz GWTFUGUYGNXBTL-UHFFFAOYSA-N -2 1 342.160 -0.133 20 0 EBADML C[C@@H](NC(=O)[O-])c1ccc(NC(=O)C(=O)NCc2nn[n-]n2)cc1 ZINC000825414904 583860474 /nfs/dbraw/zinc/86/04/74/583860474.db2.gz BTJKILBMJGHAER-SSDOTTSWSA-N -2 1 333.308 -0.217 20 0 EBADML C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000826111076 583879231 /nfs/dbraw/zinc/87/92/31/583879231.db2.gz YLKDZCHUXZRUGZ-XHNCKOQMSA-N -2 1 340.340 -0.397 20 0 EBADML C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000826111075 583879369 /nfs/dbraw/zinc/87/93/69/583879369.db2.gz YLKDZCHUXZRUGZ-DJLDLDEBSA-N -2 1 340.340 -0.397 20 0 EBADML COc1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)ncn1 ZINC000826181345 583887251 /nfs/dbraw/zinc/88/72/51/583887251.db2.gz VSGRQXWATYIQPI-UHFFFAOYSA-N -2 1 334.321 -0.139 20 0 EBADML COc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)ncn1 ZINC000826181345 583887253 /nfs/dbraw/zinc/88/72/53/583887253.db2.gz VSGRQXWATYIQPI-UHFFFAOYSA-N -2 1 334.321 -0.139 20 0 EBADML CN(Cc1ccccc1NC(=O)C(=O)NCc1nn[n-]n1)C(=O)[O-] ZINC000828394364 583938316 /nfs/dbraw/zinc/93/83/16/583938316.db2.gz VEMPBTBCINDXAC-UHFFFAOYSA-N -2 1 333.308 -0.436 20 0 EBADML C[N-]S(=O)(=O)c1ccc(C(=O)O[C@H]2CN(C(=O)[O-])CCC2=O)o1 ZINC000828584364 583943046 /nfs/dbraw/zinc/94/30/46/583943046.db2.gz BQJODSUDMPHKID-VIFPVBQESA-N -2 1 346.317 -0.334 20 0 EBADML CS(=O)(=O)c1n[n-]c(NC(=O)[C@H]2CCC[C@@H](NC(=O)[O-])C2)n1 ZINC000829699602 583957184 /nfs/dbraw/zinc/95/71/84/583957184.db2.gz MHYUPHXOSGUPNT-NKWVEPMBSA-N -2 1 331.354 -0.027 20 0 EBADML Cc1cnn(C[C@H]([N-]S(=O)(=O)c2c[nH]nc2Cl)C(=O)[O-])c1 ZINC000837290465 584047587 /nfs/dbraw/zinc/04/75/87/584047587.db2.gz VYNPQNMCZGRBFP-ZETCQYMHSA-N -2 1 333.757 0.000 20 0 EBADML CC(C)[C@H](CNC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2)C(=O)[O-] ZINC000848600902 584158696 /nfs/dbraw/zinc/15/86/96/584158696.db2.gz LZWAEMNYADUARY-VIFPVBQESA-N -2 1 333.348 -0.247 20 0 EBADML CC(=O)NCC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000851701567 584200739 /nfs/dbraw/zinc/20/07/39/584200739.db2.gz WJNDUDMCSIEKCG-APPZFPTMSA-N -2 1 339.270 -0.755 20 0 EBADML C[C@H](C(=O)[O-])C(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000851704084 584200842 /nfs/dbraw/zinc/20/08/42/584200842.db2.gz SGZIWWKCJYJCAG-ACZMJKKPSA-N -3 1 340.254 -0.170 20 0 EBADML CN(C)C(=O)CN1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000852737845 584215309 /nfs/dbraw/zinc/21/53/09/584215309.db2.gz VTENBWHBLNFJRK-VXNVDRBHSA-N -2 1 325.287 -0.329 20 0 EBADML CC(C)(C(=O)[O-])n1ccc(NC(=O)CCn2cc[n-]c(=O)c2=O)n1 ZINC000852957611 584222106 /nfs/dbraw/zinc/22/21/06/584222106.db2.gz YTTKFRSEADJACM-UHFFFAOYSA-N -2 1 335.320 -0.418 20 0 EBADML O=C([O-])c1ccc(OCCNC(=O)CCn2cc[n-]c(=O)c2=O)cc1 ZINC000739269458 599951157 /nfs/dbraw/zinc/95/11/57/599951157.db2.gz ZBCQZGMGKLODJG-UHFFFAOYSA-N -2 1 347.327 -0.180 20 0 EBADML C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](CNC(=O)[O-])C2)o1 ZINC000739753754 601877263 /nfs/dbraw/zinc/87/72/63/601877263.db2.gz WQPFYPWUAUVQJK-QMMMGPOBSA-N -2 1 331.350 -0.083 20 0 EBADML CNC(=O)[N-][N-]S(=O)(=O)c1cc2c(c(C(=O)[O-])c1)OCCO2 ZINC000057124732 649960207 /nfs/dbraw/zinc/96/02/07/649960207.db2.gz OSQGJXMUWZPCTA-UHFFFAOYSA-N -3 1 331.306 -0.722 20 0 EBADML COc1cnc(=S)[n-]c1OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001226245481 811853434 /nfs/dbraw/zinc/85/34/34/811853434.db2.gz KCEMCKCLODWLIG-SCSAIBSYSA-N -3 1 326.223 -0.851 20 0 EBADML COCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C(N)=O)cc1 ZINC001259972134 812820477 /nfs/dbraw/zinc/82/04/77/812820477.db2.gz QOYFGSCXXAPKOM-UHFFFAOYSA-N -2 1 337.379 -0.568 20 0 EBADML O=C([O-])c1cc(S(=O)(=O)NCC[P@](=O)([O-])O)ccc1O ZINC001260401767 812831448 /nfs/dbraw/zinc/83/14/48/812831448.db2.gz YBBZBQJAEMCEFN-UHFFFAOYSA-N -2 1 325.235 -0.454 20 0 EBADML CC1(C)C(=O)NCCN1C(=O)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001148918103 830555336 /nfs/dbraw/zinc/55/53/36/830555336.db2.gz KMVFOGGLHZMOTE-UHFFFAOYSA-N -2 1 328.346 -0.011 20 0 EBADML CC(C)([N-]C(=O)C(F)(F)F)C(=O)NCCNCc1n[nH]c(=O)[n-]1 ZINC001152054081 831124794 /nfs/dbraw/zinc/12/47/94/831124794.db2.gz OOMWHVRZOHBHNJ-UHFFFAOYSA-N -2 1 338.290 -0.827 20 0 EBADML COC(=O)c1cc(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)[n-]n1 ZINC001593875318 955660142 /nfs/dbraw/zinc/66/01/42/955660142.db2.gz ICDJUUCSSXEMNO-UHFFFAOYSA-N -2 1 333.322 -0.892 20 0 EBADML COC(=O)c1cc(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)n[n-]1 ZINC001593875318 955660148 /nfs/dbraw/zinc/66/01/48/955660148.db2.gz ICDJUUCSSXEMNO-UHFFFAOYSA-N -2 1 333.322 -0.892 20 0 EBADML O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)CNC(=O)c1ncccc1[O-])C2 ZINC001594736832 957078382 /nfs/dbraw/zinc/07/83/82/957078382.db2.gz AEWUVSIYTSAZFY-VFZGTOFNSA-N -2 1 335.316 -0.923 20 0 EBADML O=C([O-])CC[C@@H]1C[C@H](C(=O)N2CCC(O)(c3nn[n-]n3)CC2)CO1 ZINC001574680689 962584052 /nfs/dbraw/zinc/58/40/52/962584052.db2.gz CXLSTIXNHFDEFL-VHSXEESVSA-N -2 1 339.352 -0.720 20 0 EBADML O=C([O-])Cn1cccc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)c1=O ZINC001606350836 973795256 /nfs/dbraw/zinc/79/52/56/973795256.db2.gz XPJVJIFZBZOLFW-SECBINFHSA-N -2 1 332.320 -0.534 20 0 EBADML CN(C)[S@@](C)(=O)=NS(=O)(=O)[N-]Cc1ncc(C(=O)[O-])s1 ZINC001598284062 991179611 /nfs/dbraw/zinc/17/96/11/991179611.db2.gz XTOVKIISPTXFOH-IBGZPJMESA-N -2 1 342.424 -0.250 20 0 EBADML CC(C)N(CCCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])Cc1n[nH]c(=O)[n-]1 ZINC001591590750 992803343 /nfs/dbraw/zinc/80/33/43/992803343.db2.gz GELSILPWJGNNQK-UWVGGRQHSA-N -2 1 325.369 -0.052 20 0 EBADML C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](CC2OCCO2)C(=O)[O-])co1 ZINC001598673589 994801322 /nfs/dbraw/zinc/80/13/22/994801322.db2.gz VKRZVWRESLBELZ-QMMMGPOBSA-N -2 1 348.333 -0.866 20 0 EBADML COC(=O)C[C@H](O)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1 ZINC001598841723 996531243 /nfs/dbraw/zinc/53/12/43/996531243.db2.gz SDELBCRDOMMSRQ-YFKPBYRVSA-N -2 1 341.725 -0.167 20 0 EBADML COc1cc(CNC(=O)CCn2cc[n-]c(=O)c2=O)ccc1C(=O)[O-] ZINC001599410377 997409961 /nfs/dbraw/zinc/40/99/61/997409961.db2.gz ZNEHTEIZHSCKDD-UHFFFAOYSA-N -2 1 347.327 -0.050 20 0 EBADML COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H](C[C@H]1CCCOC1)C(=O)[O-] ZINC001599328538 997706602 /nfs/dbraw/zinc/70/66/02/997706602.db2.gz GWYWKENRSUQMON-SFYZADRCSA-N -2 1 341.320 -0.104 20 0 EBADML COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H](C[C@H]1CCCO1)C(=O)[O-] ZINC001599329201 997718807 /nfs/dbraw/zinc/71/88/07/997718807.db2.gz SEPAOCLICICLHX-RNFRBKRXSA-N -2 1 327.293 -0.352 20 0 EBADML CNC(=O)[C@@H]1CCN(C(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)C1 ZINC001413140598 1129938420 /nfs/dbraw/zinc/93/84/20/1129938420.db2.gz RBBSRRDBZLHNLR-MRVPVSSYSA-N -2 1 331.332 -0.047 20 0 EBADML Cc1cc(C(=O)N2C[C@H](O)C[C@@]2(C)CO)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC001363098111 1131784028 /nfs/dbraw/zinc/78/40/28/1131784028.db2.gz BWCUTJSJOOIKOJ-GLEZIHRCSA-N -2 1 334.332 -0.298 20 0 EBADML C[N-]S(=O)(=O)c1ccc(C(=O)N2CCOC[C@H]2CC(=O)[O-])o1 ZINC000263251254 290788579 /nfs/dbraw/zinc/78/85/79/290788579.db2.gz DWJGPLBVNWXNKV-MRVPVSSYSA-N -2 1 332.334 -0.497 20 0 EBADML CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(=O)[O-] ZINC000274922989 379721804 /nfs/dbraw/zinc/72/18/04/379721804.db2.gz BNMBOOHCKBGLFP-ZCFIWIBFSA-N -3 1 349.321 -0.960 20 0 EBADML COC(=O)c1coc(S(=O)(=O)[N-]C2(C(=O)[O-])CCOCC2)c1 ZINC000374425774 380792892 /nfs/dbraw/zinc/79/28/92/380792892.db2.gz ZJYZOCBMALDACG-UHFFFAOYSA-N -2 1 333.318 -0.022 20 0 EBADML NC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)C(=O)[O-] ZINC000037405982 381183734 /nfs/dbraw/zinc/18/37/34/381183734.db2.gz MHNBNZIWWRZFHS-RXMQYKEDSA-N -2 1 326.252 -0.289 20 0 EBADML CC(C)C[C@@H](C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000261774366 154201279 /nfs/dbraw/zinc/20/12/79/154201279.db2.gz RDGGNTKNOGBOET-VIFPVBQESA-N -2 1 347.393 -0.891 20 0 EBADML CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H](CCC(=O)[O-])C(=O)[O-] ZINC000298120851 155101308 /nfs/dbraw/zinc/10/13/08/155101308.db2.gz ZMDFLJMKBODUTF-ZETCQYMHSA-N -3 1 349.321 -0.817 20 0 EBADML Cc1cc(C(=O)N[C@@H]2CCC(=O)NC2=O)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000533416020 418952356 /nfs/dbraw/zinc/95/23/56/418952356.db2.gz VOLJHGSUDYHTDI-ZCFIWIBFSA-N -2 1 331.288 -0.721 20 0 EBADML COC(=O)c1oc(S(=O)(=O)[N-][C@@]2(C(=O)[O-])CCOC2)cc1C ZINC000596022601 419230022 /nfs/dbraw/zinc/23/00/22/419230022.db2.gz JDXNWRCAOIPPHY-LBPRGKRZSA-N -2 1 333.318 -0.103 20 0 EBADML Cc1cnn(C[C@H]([N-]S(=O)(=O)c2c(C)onc2N)C(=O)[O-])c1 ZINC000570688290 420661892 /nfs/dbraw/zinc/66/18/92/420661892.db2.gz YKRRJMYUBGBNCC-QMMMGPOBSA-N -2 1 329.338 -0.498 20 0 EBADML C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)o1 ZINC000659779145 421031339 /nfs/dbraw/zinc/03/13/39/421031339.db2.gz HYZMHXWXNBOJAG-AMIZOPFISA-N -2 1 344.345 -0.639 20 0 EBADML Cc1cc(C(=O)N[C@@H]2C(=O)NCC[C@@H]2C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000281651487 301136621 /nfs/dbraw/zinc/13/66/21/301136621.db2.gz BKBWXXYMUNECDK-WKEGUHRASA-N -2 1 331.332 -0.001 20 0 EBADML Cc1cc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000676215286 546198601 /nfs/dbraw/zinc/19/86/01/546198601.db2.gz WLPBNHKTWXCFOU-MRVPVSSYSA-N -3 1 334.288 -0.330 20 0 EBADML CCC[C@@H](O)[C@H]([N-]S(=O)(=O)c1ncn(C)c1Cl)C(=O)[O-] ZINC000776612887 582597299 /nfs/dbraw/zinc/59/72/99/582597299.db2.gz CTBMBBVVRPDATP-RQJHMYQMSA-N -2 1 325.774 -0.034 20 0 EBADML C[N-]S(=O)(=O)c1ccc(C(=O)N(CCOC)CCC(=O)[O-])o1 ZINC000737558499 583015249 /nfs/dbraw/zinc/01/52/49/583015249.db2.gz HOPXULYBGPFHET-UHFFFAOYSA-N -2 1 334.350 -0.249 20 0 EBADML CS(=O)(=O)c1n[n-]c(NC(=O)c2ccc(OCC(=O)[O-])cc2)n1 ZINC000738176725 583044335 /nfs/dbraw/zinc/04/43/35/583044335.db2.gz WIOGGFPKZPOAFB-UHFFFAOYSA-N -2 1 340.317 -0.076 20 0 EBADML CS(=O)(=O)c1nnc(NC(=O)c2ccc(OCC(=O)[O-])cc2)[n-]1 ZINC000738176725 583044336 /nfs/dbraw/zinc/04/43/36/583044336.db2.gz WIOGGFPKZPOAFB-UHFFFAOYSA-N -2 1 340.317 -0.076 20 0 EBADML Cn1[n-]cc2c(=NC(=O)C(=O)NCCC(C)(C)C(=O)[O-])ccnc1-2 ZINC000818636913 583746799 /nfs/dbraw/zinc/74/67/99/583746799.db2.gz CSVBWHWBDBHUNS-UHFFFAOYSA-N -2 1 333.348 -0.103 20 0 EBADML COc1ccc(NC(=O)C(=O)NCC(=O)[O-])cc1[N-]S(C)(=O)=O ZINC000820841527 583781934 /nfs/dbraw/zinc/78/19/34/583781934.db2.gz VTWJVYAOKOUDFN-UHFFFAOYSA-N -2 1 345.333 -0.794 20 0 EBADML CS(=O)(=O)c1n[n-]c(NC(=O)c2ccc(CNC(=O)[O-])o2)n1 ZINC000829700163 583957446 /nfs/dbraw/zinc/95/74/46/583957446.db2.gz PWENUOHJVNTHES-UHFFFAOYSA-N -2 1 329.294 -0.179 20 0 EBADML CS(=O)(=O)c1nnc(NC(=O)c2ccc(CNC(=O)[O-])o2)[n-]1 ZINC000829700163 583957448 /nfs/dbraw/zinc/95/74/48/583957448.db2.gz PWENUOHJVNTHES-UHFFFAOYSA-N -2 1 329.294 -0.179 20 0 EBADML Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@]1(C(=O)[O-])CCOC1 ZINC000833003892 584002906 /nfs/dbraw/zinc/00/29/06/584002906.db2.gz AUUFKCANEKKNOX-OAHLLOKOSA-N -2 1 334.332 -0.046 20 0 EBADML O=C([O-])Cc1cc(=O)n(-c2ccc(C(=O)NCc3cn[nH]n3)cc2)[n-]1 ZINC000833267041 584008068 /nfs/dbraw/zinc/00/80/68/584008068.db2.gz WSZXGKPXOPGMID-UHFFFAOYSA-N -2 1 342.315 -0.159 20 0 EBADML CN(C[C@H]1CCCN(C(=O)CCn2cc[n-]c(=O)c2=O)C1)C(=O)[O-] ZINC000739643514 602163291 /nfs/dbraw/zinc/16/32/91/602163291.db2.gz RTCXGLKTRXTDJP-LLVKDONJSA-N -2 1 338.364 -0.225 20 0 EBADML CCCN(C(=O)CCn1cc[n-]c(=O)c1=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000739342250 602787906 /nfs/dbraw/zinc/78/79/06/602787906.db2.gz DKVYMAFEYNWHJF-NSHDSACASA-N -2 1 338.364 -0.082 20 0 EBADML C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](CNC(=O)[O-])C2CC2)o1 ZINC000739752354 603039544 /nfs/dbraw/zinc/03/95/44/603039544.db2.gz LLHONFXTGWKIBL-MRVPVSSYSA-N -2 1 331.350 -0.036 20 0 EBADML O=C(NC[C@H]1CCN1C(=O)c1ncccc1[O-])c1n[nH]c(=O)[n-]c1=O ZINC000951298209 654456540 /nfs/dbraw/zinc/45/65/40/654456540.db2.gz TXHKPVRRUTZOED-SSDOTTSWSA-N -2 1 346.303 -0.972 20 0 EBADML Cc1[nH]nc(C(=O)N2C[C@@H](NC(=O)c3ncccc3[O-])[C@@H](O)C2)c1[O-] ZINC000962434358 723251532 /nfs/dbraw/zinc/25/15/32/723251532.db2.gz JIRKRSCKTSRKMC-SCZZXKLOSA-N -2 1 347.331 -0.860 20 0 EBADML O=C(N[C@H]1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1)c1ncccc1[O-] ZINC000973197236 725667201 /nfs/dbraw/zinc/66/72/01/725667201.db2.gz ADTIJDMDBGPDDU-LJGSYFOKSA-N -2 1 346.303 -0.926 20 0 EBADML Cc1n[nH]c(C(=O)N[C@H]2CCCN(Cc3nc(=O)n(C)[n-]3)[C@H]2C)c1[O-] ZINC000993222416 725863951 /nfs/dbraw/zinc/86/39/51/725863951.db2.gz NHZIFYAQUBKRPO-UWVGGRQHSA-N -2 1 349.395 -0.372 20 0 EBADML Cc1n[nH]c(C(=O)NC[C@@H]2CCCCN2Cc2nc(=O)n(C)[n-]2)c1[O-] ZINC001024395712 729881526 /nfs/dbraw/zinc/88/15/26/729881526.db2.gz GDAHXIVUUKZVOE-JTQLQIEISA-N -2 1 349.395 -0.370 20 0 EBADML O=C(NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1)c1ncccc1[O-] ZINC001050892199 734991151 /nfs/dbraw/zinc/99/11/51/734991151.db2.gz TVIVDTBDCNKXLO-VIFPVBQESA-N -2 1 334.336 -0.758 20 0 EBADML O=C([O-])C[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(=O)[O-] ZINC000316986716 803766913 /nfs/dbraw/zinc/76/69/13/803766913.db2.gz IOHKRXAYMZLCKN-LURJTMIESA-N -3 1 336.253 -0.060 20 0 EBADML CC(=O)c1c(O)cc([O-])cc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001225675055 811822546 /nfs/dbraw/zinc/82/25/46/811822546.db2.gz QTBXTGGKWGMNNT-KRTXAFLBSA-N -3 1 342.256 -0.258 20 0 EBADML COc1cnc(=S)[n-]c1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001226247198 811854952 /nfs/dbraw/zinc/85/49/52/811854952.db2.gz UUUMIULETCBKCC-FBCQKBJTSA-N -3 1 332.290 -0.784 20 0 EBADML Cc1nc(=O)[nH]c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1Cl ZINC001227112648 811904036 /nfs/dbraw/zinc/90/40/36/811904036.db2.gz NJAVOOHSNVKGAB-CLZZGJSISA-N -2 1 334.668 -0.414 20 0 EBADML CS(=O)(=O)c1ccc(S(=O)(=O)NCC[P@](=O)([O-])O)cc1 ZINC001259148110 812807508 /nfs/dbraw/zinc/80/75/08/812807508.db2.gz JBBWVAJXYDDXPQ-UHFFFAOYSA-N -2 1 343.319 -0.454 20 0 EBADML O=C(c1ncccc1[O-])N1CCO[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]21 ZINC001083059605 814098635 /nfs/dbraw/zinc/09/86/35/814098635.db2.gz MYNCMMLSOAPDEI-GXSJLCMTSA-N -2 1 346.347 -0.664 20 0 EBADML O=C(NCCN1CC2(COC2)C1)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001148927301 830556900 /nfs/dbraw/zinc/55/69/00/830556900.db2.gz LIAGELXPIGGTQZ-UHFFFAOYSA-N -2 1 342.373 -0.299 20 0 EBADML O=C(N[C@@H]1CCC(=O)NC1=O)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001148927167 830556981 /nfs/dbraw/zinc/55/69/81/830556981.db2.gz GTMYVHBIEKZWQD-MRVPVSSYSA-N -2 1 328.302 -0.826 20 0 EBADML CN1C[C@@H](CNC(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])CC1=O ZINC001148927213 830557442 /nfs/dbraw/zinc/55/74/42/830557442.db2.gz IJIHYUZFEGEQFU-MRVPVSSYSA-N -2 1 328.346 -0.153 20 0 EBADML Cn1c(=O)cc(NC(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])[nH]c1=O ZINC001148927377 830557511 /nfs/dbraw/zinc/55/75/11/830557511.db2.gz PHSMREBJZLJZSM-UHFFFAOYSA-N -2 1 341.301 -0.310 20 0 EBADML CO[N-]C(=O)CNC(=O)c1c[n-]c2cc(OC)cc(OC)c2c1=O ZINC001157835052 831596702 /nfs/dbraw/zinc/59/67/02/831596702.db2.gz DJMLZXMNANLUOB-UHFFFAOYSA-N -2 1 335.316 -0.047 20 0 EBADML C[C@@H](NC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1)c1nn(C)cc1[O-] ZINC001575250976 949122531 /nfs/dbraw/zinc/12/25/31/949122531.db2.gz JOAMJGSLAZUWOV-RQJHMYQMSA-N -2 1 332.328 -0.664 20 0 EBADML CCOC(=O)c1nc([C@@H](C)NC(=O)[C@@]2(C(=O)[O-])CCCO2)n[n-]1 ZINC001591278978 951110717 /nfs/dbraw/zinc/11/07/17/951110717.db2.gz CSGGTNFGBWHKDN-FUXBKTLASA-N -2 1 326.309 -0.208 20 0 EBADML CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)[C@@]2(C(=O)[O-])CCCO2)n1 ZINC001591278978 951110725 /nfs/dbraw/zinc/11/07/25/951110725.db2.gz CSGGTNFGBWHKDN-FUXBKTLASA-N -2 1 326.309 -0.208 20 0 EBADML O=C([O-])CN1CCCC[C@@H]([N-]S(=O)(=O)c2ccns2)C1=O ZINC001595096779 951822555 /nfs/dbraw/zinc/82/25/55/951822555.db2.gz OMUWLEUKZPIACE-MRVPVSSYSA-N -2 1 333.391 -0.113 20 0 EBADML O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)[C@@H](O)C1CC1 ZINC001594888561 954489865 /nfs/dbraw/zinc/48/98/65/954489865.db2.gz GHZLIDXWITXDQY-VGMNWLOBSA-N -2 1 338.282 -0.120 20 0 EBADML O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)[C@H]1C[C@@H](O)C1 ZINC001594888798 954493688 /nfs/dbraw/zinc/49/36/88/954493688.db2.gz ILUWZWVCTUCOJO-KZVJFYERSA-N -2 1 338.282 -0.120 20 0 EBADML O=C([O-])[C@H]1CC(=O)N(C2CCN(C(=O)c3c[n-]ncc3=O)CC2)C1 ZINC001594897231 954578809 /nfs/dbraw/zinc/57/88/09/954578809.db2.gz KWZMESVYNVFLLM-VIFPVBQESA-N -2 1 334.332 -0.280 20 0 EBADML O=C([O-])[C@H]1CC(=O)N(C2CCN(C(=O)c3cnncc3[O-])CC2)C1 ZINC001594897231 954578823 /nfs/dbraw/zinc/57/88/23/954578823.db2.gz KWZMESVYNVFLLM-VIFPVBQESA-N -2 1 334.332 -0.280 20 0 EBADML C[C@]1([N-]C(=O)C(F)(F)F)CCN([C@H]2CCN(CC(=O)[O-])C2=O)C1 ZINC001589246820 956935942 /nfs/dbraw/zinc/93/59/42/956935942.db2.gz YCBUYLUPURUPKM-UFBFGSQYSA-N -2 1 337.298 -0.185 20 0 EBADML CSCC[C@H](NC(=O)C1(C(=O)[O-])CCOCC1)c1nn[n-]n1 ZINC001594186712 959135641 /nfs/dbraw/zinc/13/56/41/959135641.db2.gz WUMYEJFSBLOMMU-QMMMGPOBSA-N -2 1 329.382 -0.009 20 0 EBADML C[C@H](NC(=O)[C@H](C)NC(=O)N=c1ccnc2n(C)[n-]cc1-2)C(=O)[O-] ZINC001599896499 984759305 /nfs/dbraw/zinc/75/93/05/984759305.db2.gz KMJOQZMMWRWYRM-YUMQZZPRSA-N -2 1 334.336 -0.559 20 0 EBADML CC(C)(C(=O)[O-])n1cc(NC(=O)CCn2cc[n-]c(=O)c2=O)cn1 ZINC001589663845 987642512 /nfs/dbraw/zinc/64/25/12/987642512.db2.gz NTBXRFFALRDBKQ-UHFFFAOYSA-N -2 1 335.320 -0.418 20 0 EBADML CN(C)[S@@](C)(=O)=NS(=O)(=O)[N-][C@]1(CC(=O)[O-])CCOC1 ZINC001598283302 991172508 /nfs/dbraw/zinc/17/25/08/991172508.db2.gz HTJMBHIQSZUIJI-UGZDLDLSSA-N -2 1 329.400 -0.971 20 0 EBADML CO[C@@H]1CN(C(=O)CNC(=O)c2ncccc2[O-])[C@](C)(C(=O)[O-])C1 ZINC001599132894 997984078 /nfs/dbraw/zinc/98/40/78/997984078.db2.gz GOCCSVPYLYEKDM-VFZGTOFNSA-N -2 1 337.332 -0.392 20 0 EBADML COC(=O)c1c[nH]nc1S(=O)(=O)[N-]C[C@H](C(=O)[O-])[C@H]1CCOC1 ZINC001599007214 998865210 /nfs/dbraw/zinc/86/52/10/998865210.db2.gz GJQCBBRBAKAQJC-YUMQZZPRSA-N -2 1 347.349 -0.788 20 0 EBADML Cc1n[nH]c(C(=O)NC[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C)c1[O-] ZINC001092548295 1128252308 /nfs/dbraw/zinc/25/23/08/1128252308.db2.gz JPAUYQFDDDOGQL-VXNVDRBHSA-N -2 1 335.368 -0.255 20 0 EBADML O=C(CNC(=O)c1ncccc1[O-])N1CCC[C@@H](c2nnn[n-]2)C1 ZINC001362690958 1131642496 /nfs/dbraw/zinc/64/24/96/1131642496.db2.gz ZLCZUGUETJYQEA-SECBINFHSA-N -2 1 331.336 -0.564 20 0 EBADML O=C(CNC(=O)c1ncccc1[O-])N1CCC(c2nnn[n-]2)CC1 ZINC001363517907 1131987579 /nfs/dbraw/zinc/98/75/79/1131987579.db2.gz ALVHPBVBZAUVGP-UHFFFAOYSA-N -2 1 331.336 -0.564 20 0 EBADML C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@](C)(COC)CC(=O)[O-])o1 ZINC000262042851 290789561 /nfs/dbraw/zinc/78/95/61/290789561.db2.gz DDQLTXPCQJUUAZ-GFCCVEGCSA-N -2 1 334.350 -0.203 20 0 EBADML Cn1cnc(S(=O)(=O)[N-][C@@H](Cc2c[nH]cn2)C(=O)[O-])c1Cl ZINC000274908961 379722146 /nfs/dbraw/zinc/72/21/46/379722146.db2.gz JZLICWYCNFYPMZ-ZETCQYMHSA-N -2 1 333.757 -0.229 20 0 EBADML CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(=O)[O-])o1 ZINC000548212120 380190538 /nfs/dbraw/zinc/19/05/38/380190538.db2.gz ILHNUDAMTJXZCM-ZETCQYMHSA-N -3 1 349.317 -0.090 20 0 EBADML CCC[C@H](O)[C@@H]([N-]S(=O)(=O)c1n[nH]cc1C(=O)OCC)C(=O)[O-] ZINC000548232587 380191946 /nfs/dbraw/zinc/19/19/46/380191946.db2.gz UHHVVLAFTCZANC-DTWKUNHWSA-N -2 1 349.365 -0.521 20 0 EBADML Cn1cc(S(=O)(=O)[N-][C@@H]2CCC[C@@]2(C)C(=O)[O-])c(=O)n(C)c1=O ZINC000322594554 380581703 /nfs/dbraw/zinc/58/17/03/380581703.db2.gz VQVXTCXGFTZYOQ-NOZJJQNGSA-N -2 1 345.377 -0.994 20 0 EBADML COC(=O)c1coc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccnn2C)c1 ZINC000578127862 380902971 /nfs/dbraw/zinc/90/29/71/380902971.db2.gz SMYNQAVEXFTHPV-JTQLQIEISA-N -2 1 343.317 -0.096 20 0 EBADML C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@]2(C(=O)[O-])CCSC2)o1 ZINC000262199650 154218806 /nfs/dbraw/zinc/21/88/06/154218806.db2.gz QTPPPIPETRUKRU-NSHDSACASA-N -2 1 334.375 -0.122 20 0 EBADML COC(=O)c1oc(S(=O)(=O)[N-][C@]2(C(=O)[O-])CCOC2)cc1C ZINC000596022600 419230143 /nfs/dbraw/zinc/23/01/43/419230143.db2.gz JDXNWRCAOIPPHY-GFCCVEGCSA-N -2 1 333.318 -0.103 20 0 EBADML Cn1cc(S(=O)(=O)[N-]CCCC(C)(C)C(=O)[O-])c(=O)n(C)c1=O ZINC000548221544 420795290 /nfs/dbraw/zinc/79/52/90/420795290.db2.gz XPECQVLKNWUJRK-UHFFFAOYSA-N -2 1 347.393 -0.747 20 0 EBADML CC(C)(C)n1nnc(C[N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)n1 ZINC000656180425 420882755 /nfs/dbraw/zinc/88/27/55/420882755.db2.gz JWESOEVYKQIOFX-UHFFFAOYSA-N -2 1 343.369 -0.812 20 0 EBADML NC(=O)C[C@H]([N-]S(=O)(=O)c1c(Cl)ccnc1Cl)C(=O)[O-] ZINC000776445144 583404478 /nfs/dbraw/zinc/40/44/78/583404478.db2.gz RSKXQCXXSPNVLW-YFKPBYRVSA-N -2 1 342.160 -0.005 20 0 EBADML C[N-]S(=O)(=O)c1ccc(C(=O)O[C@@H]2CN(C(=O)[O-])CCC2=O)o1 ZINC000828584357 583943059 /nfs/dbraw/zinc/94/30/59/583943059.db2.gz BQJODSUDMPHKID-SECBINFHSA-N -2 1 346.317 -0.334 20 0 EBADML CC[C@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000828677927 583945181 /nfs/dbraw/zinc/94/51/81/583945181.db2.gz OXUSQHKBYIGARV-GFCCVEGCSA-N -2 1 333.366 -0.994 20 0 EBADML CS(=O)(=O)c1n[n-]c(NC(=O)[C@H]2CCC[C@H](NC(=O)[O-])C2)n1 ZINC000829699600 583957250 /nfs/dbraw/zinc/95/72/50/583957250.db2.gz MHYUPHXOSGUPNT-BQBZGAKWSA-N -2 1 331.354 -0.027 20 0 EBADML O=C(COC(=O)COC1CN(C(=O)[O-])C1)[N-]C(=O)c1ccccc1 ZINC000831507761 583984080 /nfs/dbraw/zinc/98/40/80/583984080.db2.gz QNJSDUDFPGRRSB-UHFFFAOYSA-N -2 1 336.300 -0.135 20 0 EBADML O=C([O-])N1CCC[C@@H](OCC(=O)N2CCO[C@@H](c3nn[n-]n3)C2)C1 ZINC000831998762 583994367 /nfs/dbraw/zinc/99/43/67/583994367.db2.gz WBBGDDJNRAKJKS-NXEZZACHSA-N -2 1 340.340 -0.741 20 0 EBADML O=C([O-])CCN(C(=O)CCn1cc[n-]c(=O)c1=O)C1CCOCC1 ZINC000833231169 584007437 /nfs/dbraw/zinc/00/74/37/584007437.db2.gz CDXPXTCBENFWIL-UHFFFAOYSA-N -2 1 339.348 -0.591 20 0 EBADML O=C([O-])N1CCC2(C[C@@H]2C(=O)N2CCO[C@H](c3nn[n-]n3)C2)CC1 ZINC000834086231 584026100 /nfs/dbraw/zinc/02/61/00/584026100.db2.gz CEHOQVYHBTYXQN-ZJUUUORDSA-N -2 1 336.352 -0.120 20 0 EBADML O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)OCCC[N-]C(=O)C(F)(F)F ZINC000834284955 584030482 /nfs/dbraw/zinc/03/04/82/584030482.db2.gz KRPZYTYAIDNLQJ-RNFRBKRXSA-N -2 1 328.243 -0.289 20 0 EBADML CNC(=O)CC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000851704052 584200701 /nfs/dbraw/zinc/20/07/01/584200701.db2.gz RUVVAAYZHAPITJ-HZGVNTEJSA-N -2 1 339.270 -0.755 20 0 EBADML O=C([O-])CCC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000851702968 584200761 /nfs/dbraw/zinc/20/07/61/584200761.db2.gz NVPZAONXIIZNFF-HZGVNTEJSA-N -3 1 340.254 -0.026 20 0 EBADML CN(C)C(=O)CN1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000852737843 584215335 /nfs/dbraw/zinc/21/53/35/584215335.db2.gz VTENBWHBLNFJRK-CBAPKCEASA-N -2 1 325.287 -0.329 20 0 EBADML O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1CC(=O)NC1CC1 ZINC000852736874 584215369 /nfs/dbraw/zinc/21/53/69/584215369.db2.gz PBPUGYDDFCSSLN-WPRPVWTQSA-N -2 1 337.298 -0.139 20 0 EBADML Cc1cc(OCC(=O)[O-])ccc1NC(=O)C(=O)NCc1nn[n-]n1 ZINC000738473297 600341239 /nfs/dbraw/zinc/34/12/39/600341239.db2.gz LPMABGNTJRQLJL-UHFFFAOYSA-N -2 1 334.292 -0.774 20 0 EBADML CC(C)C[C@H](CNC(=O)[O-])NC(=O)CCn1cc[n-]c(=O)c1=O ZINC000738803344 602791903 /nfs/dbraw/zinc/79/19/03/602791903.db2.gz FIMATEUOFSUNCQ-SNVBAGLBSA-N -2 1 326.353 -0.275 20 0 EBADML O=C(N[C@@H]1CCN(C(=O)c2ncccc2[O-])C1)c1n[nH]c(=O)[n-]c1=O ZINC000941789037 652908752 /nfs/dbraw/zinc/90/87/52/652908752.db2.gz MXNHKGPLYMFFGY-SSDOTTSWSA-N -2 1 346.303 -0.972 20 0 EBADML O=C(NC[C@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O)c1ncccc1[O-] ZINC000949535289 653922376 /nfs/dbraw/zinc/92/23/76/653922376.db2.gz RHRZRXICRLWROE-SSDOTTSWSA-N -2 1 346.303 -0.972 20 0 EBADML Cc1[nH]nc(C(=O)N2CC[C@H]3[C@@H](CCN3Cc3n[nH]c(=O)[n-]3)C2)c1[O-] ZINC001036691768 731264277 /nfs/dbraw/zinc/26/42/77/731264277.db2.gz VCSRKAHNGSUFNS-UWVGGRQHSA-N -2 1 347.379 -0.016 20 0 EBADML O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCCO1)c1ncccc1[O-] ZINC001073584264 741669259 /nfs/dbraw/zinc/66/92/59/741669259.db2.gz QILAAHLTZFKARR-SNVBAGLBSA-N -2 1 348.363 -0.368 20 0 EBADML O=C([O-])CC[C@@H](O)C(=O)Oc1cc(=O)[n-]c(N2CCOCC2)n1 ZINC001226723615 811881361 /nfs/dbraw/zinc/88/13/61/811881361.db2.gz YVIOKXOKZVNLTC-MRVPVSSYSA-N -2 1 327.293 -0.850 20 0 EBADML CN1CCO[C@H]2CN(C(=O)c3cc(S(=O)(=O)[O-])ccc3[O-])C[C@H]21 ZINC001148916675 830555663 /nfs/dbraw/zinc/55/56/63/830555663.db2.gz BLNAEPZLZVESLO-YPMHNXCESA-N -2 1 342.373 -0.206 20 0 EBADML CC(=O)N1C[C@H]2C[C@@]2(NC(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])C1 ZINC001148926192 830556412 /nfs/dbraw/zinc/55/64/12/830556412.db2.gz HCDWIOGPRACIEY-YMTOWFKASA-N -2 1 340.357 -0.011 20 0 EBADML O=C(NC1CC(CO)(CO)C1)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001148927174 830557521 /nfs/dbraw/zinc/55/75/21/830557521.db2.gz HBQKVLTWIMHAMH-UHFFFAOYSA-N -2 1 331.346 -0.498 20 0 EBADML N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1cc(F)cc(F)c1[O-] ZINC001212479813 837696922 /nfs/dbraw/zinc/69/69/22/837696922.db2.gz SVWGYHCDLXTKDF-UHFFFAOYSA-N -2 1 349.275 -0.318 20 0 EBADML CCOC(=O)C(C)(C)S(=O)(=O)[N-][C@@H](CCC(=O)[O-])C(=O)OC ZINC001193073159 834789518 /nfs/dbraw/zinc/78/95/18/834789518.db2.gz HVIFSSABMKMIPC-QMMMGPOBSA-N -2 1 339.366 -0.346 20 0 EBADML C[C@H]1CN(C(=O)C(=O)N=c2ccnc3n(C)[n-]cc2-3)CC[C@H]1C(=O)[O-] ZINC001348243338 843673612 /nfs/dbraw/zinc/67/36/12/843673612.db2.gz DGLWQXDTGWWCHF-VHSXEESVSA-N -2 1 345.359 -0.151 20 0 EBADML O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)[C@H]1C[C@@H](O)C1 ZINC001594888800 954493976 /nfs/dbraw/zinc/49/39/76/954493976.db2.gz ILUWZWVCTUCOJO-XAVMHZPKSA-N -2 1 338.282 -0.120 20 0 EBADML C[N-]S(=O)(=O)c1cc(C(=O)NC2(C(=O)[O-])CCOCC2)co1 ZINC001593798832 954840102 /nfs/dbraw/zinc/84/01/02/954840102.db2.gz BHDGDMGVPJJZJU-UHFFFAOYSA-N -2 1 332.334 -0.449 20 0 EBADML Cn1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccccc2)c(=O)[nH]c1=O ZINC001594549832 955716676 /nfs/dbraw/zinc/71/66/76/955716676.db2.gz VVPHOPRXYRNRBT-JTQLQIEISA-N -2 1 339.329 -0.410 20 0 EBADML NC(=O)CCC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC001594638580 956395773 /nfs/dbraw/zinc/39/57/73/956395773.db2.gz MVAAFAYTAIZREK-HZGVNTEJSA-N -2 1 339.270 -0.625 20 0 EBADML COC[C@]1(C(=O)[O-])CCN(C(=O)c2[nH]c(=O)[n-]c(=O)c2OC)C1 ZINC001593963851 956523203 /nfs/dbraw/zinc/52/32/03/956523203.db2.gz RIGXKDXEDLOQFZ-ZDUSSCGKSA-N -2 1 327.293 -0.540 20 0 EBADML C[C@]1([N-]C(=O)C(F)(F)F)CCN([C@@H]2CCN(CC(=O)[O-])C2=O)C1 ZINC001589246814 956935305 /nfs/dbraw/zinc/93/53/05/956935305.db2.gz YCBUYLUPURUPKM-PELKAZGASA-N -2 1 337.298 -0.185 20 0 EBADML CC(=O)NCCN(Cc1nc2c(c(=O)[n-]1)COCC2)[C@@H](C)C(=O)[O-] ZINC001588514800 958785320 /nfs/dbraw/zinc/78/53/20/958785320.db2.gz DUZPYIQIZBJKEW-VIFPVBQESA-N -2 1 338.364 -0.334 20 0 EBADML COC(=O)c1cc(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)[n-]n1 ZINC001574085366 962323461 /nfs/dbraw/zinc/32/34/61/962323461.db2.gz UOZNDUPJNYNNEX-DTWKUNHWSA-N -2 1 343.361 -0.072 20 0 EBADML COC(=O)c1cc(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)n[n-]1 ZINC001574085366 962323482 /nfs/dbraw/zinc/32/34/82/962323482.db2.gz UOZNDUPJNYNNEX-DTWKUNHWSA-N -2 1 343.361 -0.072 20 0 EBADML COC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@]1(C(=O)[O-])CCSC1 ZINC001571224545 962578544 /nfs/dbraw/zinc/57/85/44/962578544.db2.gz ZAOBFVYOAWQJNG-SNVBAGLBSA-N -2 1 335.363 -0.565 20 0 EBADML COC[C@@]1(C(=O)[O-])CN(Cc2nc3c(c(=O)[n-]2)COCC3)CCO1 ZINC001604565885 973633633 /nfs/dbraw/zinc/63/36/33/973633633.db2.gz ZSYZIZMUYXWEIU-OAHLLOKOSA-N -2 1 339.348 -0.443 20 0 EBADML CC(C)[C@@H](C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1)N(C)C ZINC001591831159 976098379 /nfs/dbraw/zinc/09/83/79/976098379.db2.gz JBGPKHCTJBNVPH-NSHDSACASA-N -2 1 335.426 -0.270 20 0 EBADML CCOC(=O)N1CCN(S(=O)(=O)[N-]CC(F)(F)C(=O)[O-])CC1 ZINC001596654569 984689820 /nfs/dbraw/zinc/68/98/20/984689820.db2.gz FRAAMUCWLSUBAL-UHFFFAOYSA-N -2 1 345.324 -0.685 20 0 EBADML CCS(=O)(CC)=NS(=O)(=O)[N-]C[C@H]1CCO[C@H]1C(=O)[O-] ZINC001597245981 987225620 /nfs/dbraw/zinc/22/56/20/987225620.db2.gz MVICDXGXFJXCFJ-RKDXNWHRSA-N -2 1 328.412 -0.182 20 0 EBADML C[C@@H]1C[C@H](C(=O)N2CCSC[C@H]2c2nn[n-]n2)O[C@H]1C(=O)[O-] ZINC001599873803 989391199 /nfs/dbraw/zinc/39/11/99/989391199.db2.gz INSXBLNVYBQDIQ-BZNPZCIMSA-N -2 1 327.366 -0.306 20 0 EBADML CC(C)N(CCCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])Cc1n[nH]c(=O)[n-]1 ZINC001591590752 992802840 /nfs/dbraw/zinc/80/28/40/992802840.db2.gz GELSILPWJGNNQK-ZJUUUORDSA-N -2 1 325.369 -0.052 20 0 EBADML COc1ccc([O-])c(S(=O)(=O)N[C@H](CC2OCCO2)C(=O)[O-])c1 ZINC001599599868 993799973 /nfs/dbraw/zinc/79/99/73/993799973.db2.gz UNLQRHWJLKUZOA-SECBINFHSA-N -2 1 347.345 -0.105 20 0 EBADML COc1cc(F)cc(F)c1S(=O)(=O)[N-]CC(=O)NCC(=O)[O-] ZINC001599426159 997678658 /nfs/dbraw/zinc/67/86/58/997678658.db2.gz ZZHDGRDDEGVEMY-UHFFFAOYSA-N -2 1 338.288 -0.548 20 0 EBADML COC(=O)c1cc(S(=O)(=O)N2CC[C@H](OC)C[C@H]2C(=O)[O-])[n-]n1 ZINC001598952561 998181874 /nfs/dbraw/zinc/18/18/74/998181874.db2.gz YQZSCQUZJQYOIE-CBAPKCEASA-N -2 1 347.349 -0.551 20 0 EBADML COC(=O)c1cc(S(=O)(=O)N2CC[C@H](OC)C[C@H]2C(=O)[O-])n[n-]1 ZINC001598952561 998181880 /nfs/dbraw/zinc/18/18/80/998181880.db2.gz YQZSCQUZJQYOIE-CBAPKCEASA-N -2 1 347.349 -0.551 20 0 EBADML O=C(CSc1n[nH]c(=O)[n-]1)N1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC001412493748 1129541553 /nfs/dbraw/zinc/54/15/53/1129541553.db2.gz SHIFCYBGTKAEAP-UHFFFAOYSA-N -2 1 339.299 -0.261 20 0 EBADML Cc1cc(C(=O)N2CCO[C@H]([C@H](C)O)C2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC001362551261 1131608891 /nfs/dbraw/zinc/60/88/91/1131608891.db2.gz ZTCUGYZPJLMSHV-WPRPVWTQSA-N -2 1 334.332 -0.034 20 0 EBADML CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CC(=O)OC)C(=O)[O-])o1 ZINC000569661105 377076041 /nfs/dbraw/zinc/07/60/41/377076041.db2.gz FMSTUFMKDIKKGE-ZETCQYMHSA-N -2 1 349.317 -0.249 20 0 EBADML C[N-]S(=O)(=O)c1cc(C(=O)NCCCc2n[nH]c(=O)[n-]2)co1 ZINC000339691627 378972037 /nfs/dbraw/zinc/97/20/37/378972037.db2.gz KVJQVGAWMJZXBS-UHFFFAOYSA-N -2 1 329.338 -0.626 20 0 EBADML COC(=O)N1CC(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)C1 ZINC000269494321 379374283 /nfs/dbraw/zinc/37/42/83/379374283.db2.gz DOLNGLYLWLSJIF-UHFFFAOYSA-N -2 1 333.304 -0.075 20 0 EBADML NC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(Br)o1)C(=O)[O-] ZINC000547548450 380143471 /nfs/dbraw/zinc/14/34/71/380143471.db2.gz JVKJQVDYIVMHOF-BYPYZUCNSA-N -2 1 341.139 -0.351 20 0 EBADML NC(=O)C[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)C(=O)[O-] ZINC000547878274 380168446 /nfs/dbraw/zinc/16/84/46/380168446.db2.gz ZHDBGCWTCZHQBV-SSDOTTSWSA-N -2 1 326.252 -0.289 20 0 EBADML CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CCC(N)=O)C(=O)[O-])o1 ZINC000548232584 380192526 /nfs/dbraw/zinc/19/25/26/380192526.db2.gz UFXFYXHTCMDOJC-ZETCQYMHSA-N -2 1 348.333 -0.547 20 0 EBADML Cn1cc(S(=O)(=O)[N-][C@]2(C(=O)[O-])CCOC2)c(C(F)(F)F)n1 ZINC000584527780 381177003 /nfs/dbraw/zinc/17/70/03/381177003.db2.gz HPBAYXPSQQWSOZ-SECBINFHSA-N -2 1 343.283 -0.039 20 0 EBADML Cc1cc(C(=O)N2C[C@@H](CO)OC[C@H]2C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000352629668 382014298 /nfs/dbraw/zinc/01/42/98/382014298.db2.gz JINZYJTWZADPRK-BDAKNGLRSA-N -2 1 334.332 -0.034 20 0 EBADML COC(=O)C[C@H]([N-]S(=O)(=O)c1ncn(C)c1Cl)C(=O)[O-] ZINC000298280013 155105504 /nfs/dbraw/zinc/10/55/04/155105504.db2.gz CKCVNMKBGYJTGN-YFKPBYRVSA-N -2 1 325.730 -0.632 20 0 EBADML Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000647219468 419027303 /nfs/dbraw/zinc/02/73/03/419027303.db2.gz FQUYXMSRHPWMRM-NSHDSACASA-N -2 1 334.332 -0.094 20 0 EBADML C[C@@](O)(C[N-]S(=O)(=O)c1ncccc1Br)C(=O)[O-] ZINC000656563464 420899081 /nfs/dbraw/zinc/89/90/81/420899081.db2.gz SXSYFDMWRXQLPP-SECBINFHSA-N -2 1 339.167 -0.042 20 0 EBADML CO[C@@H](CS(=O)(=O)[N-]c1cnn(C)c1C(=O)[O-])[C@@H]1CCOC1 ZINC000656626673 420899739 /nfs/dbraw/zinc/89/97/39/420899739.db2.gz NVFUKOPNJKTVQN-SCZZXKLOSA-N -2 1 333.366 -0.089 20 0 EBADML CC(C)(C)n1nnc(C[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])n1 ZINC000656180769 420882138 /nfs/dbraw/zinc/88/21/38/420882138.db2.gz NMISZRIMVBFRCN-UHFFFAOYSA-N -2 1 329.342 -0.672 20 0 EBADML Cc1cc(C(=O)N[C@H]2CCC(=O)N(C)C2=O)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000425087960 265081730 /nfs/dbraw/zinc/08/17/30/265081730.db2.gz LRCYSJSREODAGP-ZETCQYMHSA-N -2 1 345.315 -0.378 20 0 EBADML COC(=O)c1oc(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(=O)[O-])cc1C ZINC000596031331 545802175 /nfs/dbraw/zinc/80/21/75/545802175.db2.gz DPLTWDLPXQERIJ-ZCFIWIBFSA-N -3 1 335.290 -0.419 20 0 EBADML CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NCc2nn[n-]n2)c1 ZINC000681045857 546298067 /nfs/dbraw/zinc/29/80/67/546298067.db2.gz ZHTDHVNFDHNJKZ-UHFFFAOYSA-N -2 1 326.338 -0.914 20 0 EBADML Cn1cc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nnn[n-]3)nc2)cn1 ZINC000737610666 583021411 /nfs/dbraw/zinc/02/14/11/583021411.db2.gz PXLPSGBYEKVJNQ-UHFFFAOYSA-N -2 1 334.321 -0.886 20 0 EBADML Cn1cc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nn[n-]n3)nc2)cn1 ZINC000737610666 583021413 /nfs/dbraw/zinc/02/14/13/583021413.db2.gz PXLPSGBYEKVJNQ-UHFFFAOYSA-N -2 1 334.321 -0.886 20 0 EBADML O=C([O-])CNC(=O)C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000739808881 583059377 /nfs/dbraw/zinc/05/93/77/583059377.db2.gz KQRCXWLXQJKQLR-UHFFFAOYSA-N -2 1 342.160 -0.133 20 0 EBADML O=C([O-])[C@@H](Cc1ccccc1)NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000823131614 583825478 /nfs/dbraw/zinc/82/54/78/583825478.db2.gz KFEJTOZVOZJWBH-SNVBAGLBSA-N -2 1 342.319 -0.730 20 0 EBADML C[C@H](NC(=O)[O-])[C@H]1CCCN(C(=O)CCn2cc[n-]c(=O)c2=O)C1 ZINC000825210036 583856244 /nfs/dbraw/zinc/85/62/44/583856244.db2.gz HLBLXYYANNUIER-QWRGUYRKSA-N -2 1 338.364 -0.179 20 0 EBADML CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]CC(C)(C)NC(=O)[O-] ZINC000827350740 583919706 /nfs/dbraw/zinc/91/97/06/583919706.db2.gz ZFIFWEFLWXPGHH-UHFFFAOYSA-N -2 1 334.354 -0.089 20 0 EBADML NS(=O)(=O)N1CCN(C(=O)c2ccc(NC(=O)[O-])cc2[O-])CC1 ZINC000831246045 583980074 /nfs/dbraw/zinc/98/00/74/583980074.db2.gz NXCCJKBKLMKYED-UHFFFAOYSA-N -2 1 344.349 -0.557 20 0 EBADML COc1cc(C)[n-]c(=NNS(=O)(=O)c2cnn(CC(=O)[O-])c2)n1 ZINC000831972467 583994175 /nfs/dbraw/zinc/99/41/75/583994175.db2.gz LMYDFLASUKYWKP-UHFFFAOYSA-N -2 1 342.337 -0.620 20 0 EBADML O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)OCCC[N-]C(=O)C(F)(F)F ZINC000834284953 584030405 /nfs/dbraw/zinc/03/04/05/584030405.db2.gz KRPZYTYAIDNLQJ-NKWVEPMBSA-N -2 1 328.243 -0.289 20 0 EBADML CN(C)C(=O)CN1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000852737842 584215121 /nfs/dbraw/zinc/21/51/21/584215121.db2.gz VTENBWHBLNFJRK-APPZFPTMSA-N -2 1 325.287 -0.329 20 0 EBADML Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N[C@H](C)C(=O)[O-] ZINC000740222253 597181942 /nfs/dbraw/zinc/18/19/42/597181942.db2.gz JGALVVYULSNRHE-SNVBAGLBSA-N -2 1 338.364 -0.151 20 0 EBADML O=C([O-])CCN(C[C@H]1CCCO1)C(=O)CCn1cc[n-]c(=O)c1=O ZINC000739715425 600501630 /nfs/dbraw/zinc/50/16/30/600501630.db2.gz DFKVARSINVEKRP-LLVKDONJSA-N -2 1 339.348 -0.591 20 0 EBADML O=C([O-])N[C@@H](Cc1ccccc1)C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000740538791 602501256 /nfs/dbraw/zinc/50/12/56/602501256.db2.gz YXQUMEDVBCHLJM-RYUDHWBXSA-N -2 1 346.347 -0.022 20 0 EBADML CNC(=O)[N-][N-]S(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000057124773 649960077 /nfs/dbraw/zinc/96/00/77/649960077.db2.gz GLFDNNOABUIZRZ-UHFFFAOYSA-N -2 1 348.406 -0.750 20 0 EBADML O=C(c1ccc2oc(=O)nc-2[n-]1)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001019648934 728961537 /nfs/dbraw/zinc/96/15/37/728961537.db2.gz HILCHNZVGSAVIW-ZETCQYMHSA-N -2 1 345.319 -0.244 20 0 EBADML Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ncccc3[O-])C2)c1[O-] ZINC001023488470 729702355 /nfs/dbraw/zinc/70/23/55/729702355.db2.gz JIRKRSCKTSRKMC-PSASIEDQSA-N -2 1 347.331 -0.860 20 0 EBADML O=C(c1cnc[nH]c1=O)N1CC[C@@H]2CC[N@H+](Cc3n[nH]c(=O)[n-]3)[C@H]2C1 ZINC001042108606 732319889 /nfs/dbraw/zinc/31/98/89/732319889.db2.gz DYHXLHCMWPFNFH-ONGXEEELSA-N -2 1 345.363 -0.258 20 0 EBADML Cc1n[nH]c(C(=O)N[C@H]2CC[C@H](C)N(Cc3nc(=O)n(C)[n-]3)C2)c1[O-] ZINC001071435446 741135952 /nfs/dbraw/zinc/13/59/52/741135952.db2.gz WZUXMURYYLOGFC-WPRPVWTQSA-N -2 1 349.395 -0.372 20 0 EBADML O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCCO1)c1ncccc1[O-] ZINC001073584262 741669109 /nfs/dbraw/zinc/66/91/09/741669109.db2.gz QILAAHLTZFKARR-JTQLQIEISA-N -2 1 348.363 -0.368 20 0 EBADML O=C(Oc1[n-]c(=S)nc2c1CCC2)[C@H](O)COP(=O)([O-])[O-] ZINC001226300420 811859278 /nfs/dbraw/zinc/85/92/78/811859278.db2.gz NJKVTCKUNYGEEX-SSDOTTSWSA-N -3 1 336.262 -0.370 20 0 EBADML CN1CCOC[C@H]1CNC(=O)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001148927700 830557380 /nfs/dbraw/zinc/55/73/80/830557380.db2.gz REMHCOFCRHWOHV-SECBINFHSA-N -2 1 330.362 -0.301 20 0 EBADML CSCC[C@H](NC(=O)c1cc(S(=O)(=O)[O-])ccc1[O-])C(N)=O ZINC001148933319 830558108 /nfs/dbraw/zinc/55/81/08/830558108.db2.gz KYEWJWCLCTXJDH-VIFPVBQESA-N -2 1 348.402 -0.024 20 0 EBADML Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N(C)Cc1nc(=O)o[n-]1 ZINC001163338945 832101908 /nfs/dbraw/zinc/10/19/08/832101908.db2.gz ALYPKWSXIIQPDC-UHFFFAOYSA-N -2 1 332.320 -0.071 20 0 EBADML O=C([O-])CC1(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)CCOCC1 ZINC001594973365 950888855 /nfs/dbraw/zinc/88/88/55/950888855.db2.gz ZZVGWALGNWICFI-SECBINFHSA-N -2 1 325.325 -0.629 20 0 EBADML O=C([O-])[C@]1([N-]S(=O)(=O)c2nc[nH]c2Br)CCOC1 ZINC001594883459 954448811 /nfs/dbraw/zinc/44/88/11/954448811.db2.gz SVALZZZSTOCNJO-QMMMGPOBSA-N -2 1 340.155 -0.306 20 0 EBADML Cn1cnc(S(=O)(=O)[N-]CCOCCOCC(=O)[O-])c1Cl ZINC001594558099 955783671 /nfs/dbraw/zinc/78/36/71/955783671.db2.gz WYYWKCBLDZEWIE-UHFFFAOYSA-N -2 1 341.773 -0.530 20 0 EBADML NC(=O)CCC(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC001594638582 956395313 /nfs/dbraw/zinc/39/53/13/956395313.db2.gz MVAAFAYTAIZREK-IMTBSYHQSA-N -2 1 339.270 -0.625 20 0 EBADML COC(=O)c1coc(S(=O)(=O)[N-]C2(C(=O)[O-])CC(CO)C2)c1 ZINC001571208394 962426550 /nfs/dbraw/zinc/42/65/50/962426550.db2.gz OJGONJSWGWTUJC-UHFFFAOYSA-N -2 1 333.318 -0.430 20 0 EBADML CC[C@](COC)(NC(=O)c1coc(S(=O)(=O)[N-]C)c1)C(=O)[O-] ZINC001595195201 979910892 /nfs/dbraw/zinc/91/08/92/979910892.db2.gz WOOFFIORNDJQEA-GFCCVEGCSA-N -2 1 334.350 -0.203 20 0 EBADML CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]C[C@@]1(C(=O)[O-])CCOC1 ZINC001596736390 985025763 /nfs/dbraw/zinc/02/57/63/985025763.db2.gz WARHBFSAYGKSDF-LBPRGKRZSA-N -2 1 347.349 -0.644 20 0 EBADML CCOC(=O)c1n[n-]c(CNC(=O)Cc2ccc(C(=O)[O-])nc2)n1 ZINC001596748920 985080883 /nfs/dbraw/zinc/08/08/83/985080883.db2.gz NUIMWJMHFQDKJV-UHFFFAOYSA-N -2 1 333.304 -0.067 20 0 EBADML C[N-]S(=O)(=O)c1cc(C(=O)NC[C@H](C(=O)[O-])[C@@H]2CCOC2)co1 ZINC001598673452 994798216 /nfs/dbraw/zinc/79/82/16/994798216.db2.gz ODBZUXQGSVRDJZ-SCZZXKLOSA-N -2 1 346.361 -0.345 20 0 EBADML C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@H](OC)C[C@@H]2C(=O)[O-])o1 ZINC001598674987 994826241 /nfs/dbraw/zinc/82/62/41/994826241.db2.gz WRSXCTDEUHKCNJ-DTWKUNHWSA-N -2 1 346.361 -0.108 20 0 EBADML COC(=O)[C@H](Cc1ccncc1)[N-]S(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001598704831 995272268 /nfs/dbraw/zinc/27/22/68/995272268.db2.gz OYDRZGWZKKFELV-NSHDSACASA-N -2 1 342.373 -0.050 20 0 EBADML COC(=O)[C@@H](Cc1cncs1)[N-]S(=O)(=O)C[C@H](C)C(=O)[O-] ZINC001598704893 995273663 /nfs/dbraw/zinc/27/36/63/995273663.db2.gz PVFPKHFDHPRXFQ-IONNQARKSA-N -2 1 336.391 -0.133 20 0 EBADML COC(=O)Cn1cc(S(=O)(=O)[N-]c2ccncc2C(=O)[O-])cn1 ZINC001598874852 996756506 /nfs/dbraw/zinc/75/65/06/996756506.db2.gz CNODPIRDJGYQRO-UHFFFAOYSA-N -2 1 340.317 -0.628 20 0 EBADML COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-][C@](C)(CCF)C(=O)[O-] ZINC001598911661 997380493 /nfs/dbraw/zinc/38/04/93/997380493.db2.gz IULNNFVZYSAOCA-LLVKDONJSA-N -2 1 337.329 -0.014 20 0 EBADML COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H](C[C@@H]1CCCO1)C(=O)[O-] ZINC001599329200 997718550 /nfs/dbraw/zinc/71/85/50/997718550.db2.gz SEPAOCLICICLHX-NKWVEPMBSA-N -2 1 327.293 -0.352 20 0 EBADML COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H](C[C@H]1CCCO1)C(=O)[O-] ZINC001599329202 997718755 /nfs/dbraw/zinc/71/87/55/997718755.db2.gz SEPAOCLICICLHX-RQJHMYQMSA-N -2 1 327.293 -0.352 20 0 EBADML CO[C@H]1CN(C(=O)CNC(=O)c2ncccc2[O-])[C@](C)(C(=O)[O-])C1 ZINC001599132890 997982925 /nfs/dbraw/zinc/98/29/25/997982925.db2.gz GOCCSVPYLYEKDM-PSLIRLAXSA-N -2 1 337.332 -0.392 20 0 EBADML COC(=O)c1cc(S(=O)(=O)N2CC[C@](OC)(C(=O)[O-])C2)[n-]n1 ZINC001598951761 998166326 /nfs/dbraw/zinc/16/63/26/998166326.db2.gz JESPFPDEGSTYML-LLVKDONJSA-N -2 1 333.322 -0.940 20 0 EBADML COC(=O)c1cc(S(=O)(=O)N2CC[C@](OC)(C(=O)[O-])C2)n[n-]1 ZINC001598951761 998166331 /nfs/dbraw/zinc/16/63/31/998166331.db2.gz JESPFPDEGSTYML-LLVKDONJSA-N -2 1 333.322 -0.940 20 0 EBADML COC(=O)c1oc(S(=O)(=O)[N-][C@H]2CCO[C@H]2C(=O)[O-])cc1C ZINC001599019577 998967750 /nfs/dbraw/zinc/96/77/50/998967750.db2.gz LPJARMCJRDJYIF-OIBJUYFYSA-N -2 1 333.318 -0.105 20 0 EBADML CSc1ncc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)c(=O)[n-]1 ZINC001362570607 1131614231 /nfs/dbraw/zinc/61/42/31/1131614231.db2.gz TWPCLESPTSIOHZ-UHFFFAOYSA-N -2 1 334.379 -0.900 20 0 EBADML COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@@H](CO)C(=O)[O-])c1F ZINC000600651969 376478619 /nfs/dbraw/zinc/47/86/19/376478619.db2.gz MULOZHWMJRINGE-ZETCQYMHSA-N -2 1 339.272 -0.525 20 0 EBADML Cn1cnc(S(=O)(=O)[N-][C@H](Cc2c[nH]cn2)C(=O)[O-])c1Cl ZINC000274908958 379722969 /nfs/dbraw/zinc/72/29/69/379722969.db2.gz JZLICWYCNFYPMZ-SSDOTTSWSA-N -2 1 333.757 -0.229 20 0 EBADML C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@@H](OC)C[C@]2(C)C(=O)[O-])o1 ZINC000630310745 380035346 /nfs/dbraw/zinc/03/53/46/380035346.db2.gz KGVCTABKWQCOSI-ISVAXAHUSA-N -2 1 346.361 -0.108 20 0 EBADML COC(=O)c1ccc(S(=O)(=O)[N-]C[C@](C)(CC(=O)[O-])C(=O)[O-])o1 ZINC000547940340 380173326 /nfs/dbraw/zinc/17/33/26/380173326.db2.gz YACUDTASRJLIKP-LBPRGKRZSA-N -3 1 349.317 -0.090 20 0 EBADML COC(=O)c1coc(S(=O)(=O)[N-]C[C@@](C)(CC(=O)[O-])C(=O)[O-])c1 ZINC000547613905 380150416 /nfs/dbraw/zinc/15/04/16/380150416.db2.gz CEDOQBLVSZBPQN-GFCCVEGCSA-N -3 1 349.317 -0.090 20 0 EBADML COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccnn2C)o1 ZINC000580887816 381043512 /nfs/dbraw/zinc/04/35/12/381043512.db2.gz BOMGJWMWIHFLIQ-SNVBAGLBSA-N -2 1 343.317 -0.096 20 0 EBADML CSc1n[nH]c([N-]S(=O)(=O)CCCS(=O)(=O)N(C)C)n1 ZINC000349579003 381146820 /nfs/dbraw/zinc/14/68/20/381146820.db2.gz XKKUVPRBWYMDDB-UHFFFAOYSA-N -2 1 343.456 -0.450 20 0 EBADML Cn1cc(S(=O)(=O)[N-]CC2(CC(=O)[O-])CCC2)c(=O)n(C)c1=O ZINC000321241083 381669012 /nfs/dbraw/zinc/66/90/12/381669012.db2.gz XHEXHFFAJMGKCY-UHFFFAOYSA-N -2 1 345.377 -0.993 20 0 EBADML Cc1cc(C(=O)NCCN2C(=O)CCC2=O)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000266076111 154334349 /nfs/dbraw/zinc/33/43/49/154334349.db2.gz AIQNPXQJKRCCCO-UHFFFAOYSA-N -2 1 345.315 -0.377 20 0 EBADML CCOC(=O)[C@H](CO)NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000360600701 157388165 /nfs/dbraw/zinc/38/81/65/157388165.db2.gz UCTDNXMSQJFOOP-QMMMGPOBSA-N -2 1 336.304 -0.602 20 0 EBADML CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](CC(=O)OC)C(=O)[O-])o1 ZINC000519583647 419533520 /nfs/dbraw/zinc/53/35/20/419533520.db2.gz FMSTUFMKDIKKGE-SSDOTTSWSA-N -2 1 349.317 -0.249 20 0 EBADML Cc1cc(C(=O)N2C[C@@H](C)O[C@@H](CO)C2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000347533253 419495000 /nfs/dbraw/zinc/49/50/00/419495000.db2.gz PCSUJEGXESBFBX-RKDXNWHRSA-N -2 1 334.332 -0.034 20 0 EBADML Cc1cc(C)n(C[C@H]([N-]S(=O)(=O)c2c(C)onc2N)C(=O)[O-])n1 ZINC000579598919 420664754 /nfs/dbraw/zinc/66/47/54/420664754.db2.gz AFOFYVPGUXUMPT-VIFPVBQESA-N -2 1 343.365 -0.190 20 0 EBADML Cc1cc(C(=O)NC[C@@H](O)[C@H]2CCOC2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000531635331 272904341 /nfs/dbraw/zinc/90/43/41/272904341.db2.gz VEYJSDGHLOOPQG-WCBMZHEXSA-N -2 1 334.332 -0.128 20 0 EBADML CCC[C@H](O)[C@@H]([N-]S(=O)(=O)c1ncn(C)c1Cl)C(=O)[O-] ZINC000776612883 583407286 /nfs/dbraw/zinc/40/72/86/583407286.db2.gz CTBMBBVVRPDATP-NKWVEPMBSA-N -2 1 325.774 -0.034 20 0 EBADML CS(=O)(=O)c1n[n-]c(NC(=O)CN(C[C@H]2CCCO2)C(=O)[O-])n1 ZINC000829701231 583957505 /nfs/dbraw/zinc/95/75/05/583957505.db2.gz YSDJFRAFFKFXHQ-SSDOTTSWSA-N -2 1 347.353 -0.694 20 0 EBADML CS(=O)(=O)c1nnc(NC(=O)CN(C[C@H]2CCCO2)C(=O)[O-])[n-]1 ZINC000829701231 583957507 /nfs/dbraw/zinc/95/75/07/583957507.db2.gz YSDJFRAFFKFXHQ-SSDOTTSWSA-N -2 1 347.353 -0.694 20 0 EBADML O=C([O-])N1CCO[C@@H](C(=O)N[C@H](c2nn[n-]n2)c2ccccc2)C1 ZINC000831574172 583986245 /nfs/dbraw/zinc/98/62/45/583986245.db2.gz RPWYIOOQZLGRJU-MNOVXSKESA-N -2 1 332.320 -0.216 20 0 EBADML O=C(C[C@@H]1CN(C(=O)[O-])CCO1)Nc1nc(SCCO)n[nH]1 ZINC000833987158 584023123 /nfs/dbraw/zinc/02/31/23/584023123.db2.gz HEJGUAGHLSTHHW-SSDOTTSWSA-N -2 1 331.354 -0.404 20 0 EBADML O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)OCCC[N-]C(=O)C(F)(F)F ZINC000834284952 584030526 /nfs/dbraw/zinc/03/05/26/584030526.db2.gz KRPZYTYAIDNLQJ-BQBZGAKWSA-N -2 1 328.243 -0.289 20 0 EBADML C[C@H]1CCN(C(=O)C(=O)N=c2ccnc3n(C)[n-]cc2-3)C[C@@H]1C(=O)[O-] ZINC000843046084 584070031 /nfs/dbraw/zinc/07/00/31/584070031.db2.gz MWXKSUOIOPUVLB-ONGXEEELSA-N -2 1 345.359 -0.151 20 0 EBADML CS(=O)(=O)c1n[n-]c(NC(=O)C2CCC(NC(=O)[O-])CC2)n1 ZINC000740005565 602064383 /nfs/dbraw/zinc/06/43/83/602064383.db2.gz NPQZKPGBUJGKDF-UHFFFAOYSA-N -2 1 331.354 -0.027 20 0 EBADML CS(=O)(=O)c1nnc(NC(=O)C2CCC(NC(=O)[O-])CC2)[n-]1 ZINC000740005565 602064385 /nfs/dbraw/zinc/06/43/85/602064385.db2.gz NPQZKPGBUJGKDF-UHFFFAOYSA-N -2 1 331.354 -0.027 20 0 EBADML C[C@H](NC(=O)CCn1cc[n-]c(=O)c1=O)[C@H]1CCCN(C(=O)[O-])C1 ZINC000738957225 602188837 /nfs/dbraw/zinc/18/88/37/602188837.db2.gz BKAQCSDIATUWFX-QWRGUYRKSA-N -2 1 338.364 -0.179 20 0 EBADML Cc1nc(S(=O)(=O)[N-]C[C@@H](O)C(=O)[O-])c(Br)n1C ZINC000311204076 649994121 /nfs/dbraw/zinc/99/41/21/649994121.db2.gz LVHQVSIURMFBDN-RXMQYKEDSA-N -2 1 342.171 -0.785 20 0 EBADML COC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H](C[C@H]1CCOC1)C(=O)[O-] ZINC000912558470 650208926 /nfs/dbraw/zinc/20/89/26/650208926.db2.gz NLKOOIBBMWPENU-APPZFPTMSA-N -2 1 347.349 -0.646 20 0 EBADML O=C(NC[C@@H]1CCN1C(=O)c1ncccc1[O-])c1n[nH]c(=O)[n-]c1=O ZINC000951298210 654456446 /nfs/dbraw/zinc/45/64/46/654456446.db2.gz TXHKPVRRUTZOED-ZETCQYMHSA-N -2 1 346.303 -0.972 20 0 EBADML COCc1cc(OC(=O)[C@H](O)COP(=O)([O-])[O-])[n-]c(=S)n1 ZINC001225937463 811837347 /nfs/dbraw/zinc/83/73/47/811837347.db2.gz HAYCXBPMFLTAAV-ZCFIWIBFSA-N -3 1 340.250 -0.713 20 0 EBADML O=c1nc2c(=O)[n-]c(=O)[nH]c2c(OC2CCS(=O)(=O)CC2)[n-]1 ZINC001226887152 811889192 /nfs/dbraw/zinc/88/91/92/811889192.db2.gz CCVZGUABGGDBIC-UHFFFAOYSA-N -2 1 328.306 -0.507 20 0 EBADML CSc1nc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc(=O)[n-]1 ZINC001228095755 811961549 /nfs/dbraw/zinc/96/15/49/811961549.db2.gz XLJUVHJORMSEJI-VHWMUFPASA-N -3 1 332.290 -0.654 20 0 EBADML CS(=O)(=O)CS(=O)(=O)[N-]c1cccc(S(=O)(=O)[O-])c1 ZINC001260590515 812840106 /nfs/dbraw/zinc/84/01/06/812840106.db2.gz FEPVNNQZFYOYHQ-UHFFFAOYSA-N -2 1 329.377 -0.323 20 0 EBADML O=C(c1cc(S(=O)(=O)[O-])ccc1[O-])N1CC[C@@H](CO)[C@@H](O)C1 ZINC001148917825 830554820 /nfs/dbraw/zinc/55/48/20/830554820.db2.gz ZCSZKAZCQWLBGA-UFBFGSQYSA-N -2 1 331.346 -0.546 20 0 EBADML O=C(c1cc(S(=O)(=O)[O-])ccc1[O-])N1CCN2C(=O)OC[C@H]2C1 ZINC001148919185 830555905 /nfs/dbraw/zinc/55/59/05/830555905.db2.gz QJBVVRPAMISZRX-MRVPVSSYSA-N -2 1 342.329 -0.085 20 0 EBADML O=C([O-])c1cc(C(=O)NCc2nn[n-]n2)cc(S(=O)(=O)[O-])c1 ZINC001189933079 834211168 /nfs/dbraw/zinc/21/11/68/834211168.db2.gz ICFLIFDUMZIJDW-UHFFFAOYSA-N -3 1 327.278 -0.925 20 0 EBADML O=C([O-])c1cc(C(=O)NCc2nn[nH]n2)cc(S(=O)(=O)[O-])c1 ZINC001189933079 834211172 /nfs/dbraw/zinc/21/11/72/834211172.db2.gz ICFLIFDUMZIJDW-UHFFFAOYSA-N -2 1 327.278 -0.925 20 0 EBADML CC[C@@]1(C)NC(=O)N([N-]C(=O)c2coc(S(=O)(=O)[N-]C)c2)C1=O ZINC001326466019 840112960 /nfs/dbraw/zinc/11/29/60/840112960.db2.gz NTLZOPWNCVZVMT-GFCCVEGCSA-N -2 1 344.349 -0.447 20 0 EBADML COC[C@]1(C(=O)[O-])CN(Cc2nc3c(c(=O)[n-]2)COCC3)CCO1 ZINC001604565883 973634422 /nfs/dbraw/zinc/63/44/22/973634422.db2.gz ZSYZIZMUYXWEIU-HNNXBMFYSA-N -2 1 339.348 -0.443 20 0 EBADML O=C([O-])COCC(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC001606274428 973654256 /nfs/dbraw/zinc/65/42/56/973654256.db2.gz HFEQWSSDBLDMAP-UHFFFAOYSA-N -2 1 344.345 -0.127 20 0 EBADML CC[C@@](COC)([N-]S(=O)(=O)N1CCC[C@H]1C(=O)[O-])C(=O)OC ZINC001603574537 973710730 /nfs/dbraw/zinc/71/07/30/973710730.db2.gz FIWNMAWKLAIZJC-CABZTGNLSA-N -2 1 338.382 -0.662 20 0 EBADML CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@]1(C(=O)[O-])CCSC1 ZINC001596735178 985021236 /nfs/dbraw/zinc/02/12/36/985021236.db2.gz JHTKDABBORPKGL-LLVKDONJSA-N -2 1 349.390 -0.175 20 0 EBADML CN(C)C(=O)Cn1cc([N-]S(=O)(=O)CC(C)(C)C(=O)[O-])cn1 ZINC001598135237 990584729 /nfs/dbraw/zinc/58/47/29/990584729.db2.gz NHRYBNXNDLNZHZ-UHFFFAOYSA-N -2 1 332.382 -0.176 20 0 EBADML COc1cc[n-]c(=NNS(=O)(=O)c2cncc(C(=O)[O-])c2)n1 ZINC001599722583 991565087 /nfs/dbraw/zinc/56/50/87/991565087.db2.gz MTOXOWGLEIIDRO-UHFFFAOYSA-N -2 1 325.306 -0.116 20 0 EBADML CC(C)N(CCCNC(=O)[C@H]1C[C@H]1C(=O)[O-])Cc1n[nH]c(=O)[n-]1 ZINC001591590751 992803262 /nfs/dbraw/zinc/80/32/62/992803262.db2.gz GELSILPWJGNNQK-VHSXEESVSA-N -2 1 325.369 -0.052 20 0 EBADML CNC(=O)[C@H](O)C[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001598632615 994193898 /nfs/dbraw/zinc/19/38/98/994193898.db2.gz NGYWGWYLCVAQGJ-SSDOTTSWSA-N -2 1 338.288 -0.952 20 0 EBADML COC(=O)[C@H](CO)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1 ZINC001598703652 995256667 /nfs/dbraw/zinc/25/66/67/995256667.db2.gz GGHWKRJSEVKMDN-YFKPBYRVSA-N -2 1 327.698 -0.557 20 0 EBADML COC(=O)C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)co1)C(=O)[O-] ZINC001598838764 996507675 /nfs/dbraw/zinc/50/76/75/996507675.db2.gz FIZBYJWLZSCVOT-SSDOTTSWSA-N -2 1 335.290 -0.639 20 0 EBADML COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H](C[C@@H]1CCCOC1)C(=O)[O-] ZINC001599328535 997706424 /nfs/dbraw/zinc/70/64/24/997706424.db2.gz GWYWKENRSUQMON-JGVFFNPUSA-N -2 1 341.320 -0.104 20 0 EBADML COC(=O)c1cc(S(=O)(=O)N2CC[C@@](OC)(C(=O)[O-])C2)[n-]n1 ZINC001598951762 998166692 /nfs/dbraw/zinc/16/66/92/998166692.db2.gz JESPFPDEGSTYML-NSHDSACASA-N -2 1 333.322 -0.940 20 0 EBADML COC(=O)c1cc(S(=O)(=O)N2CC[C@@](OC)(C(=O)[O-])C2)n[n-]1 ZINC001598951762 998166695 /nfs/dbraw/zinc/16/66/95/998166695.db2.gz JESPFPDEGSTYML-NSHDSACASA-N -2 1 333.322 -0.940 20 0 EBADML CO[C@@H](CS(=O)(=O)[N-]c1nnc(CC(=O)[O-])[nH]1)[C@@H]1CCOC1 ZINC001599060593 999262336 /nfs/dbraw/zinc/26/23/36/999262336.db2.gz VHHKBAHILZAAFQ-SFYZADRCSA-N -2 1 334.354 -0.775 20 0 EBADML CC(C)Cn1[n-]c(CC(=O)N2CCOC[C@H]2c2nn[n-]n2)cc1=O ZINC001412427737 1129526448 /nfs/dbraw/zinc/52/64/48/1129526448.db2.gz OKURNNJTESWDBS-NSHDSACASA-N -2 1 335.368 -0.512 20 0 EBADML C[S@@](=O)(=NS(=O)(=O)[N-]Cc1nc(=O)o[n-]1)c1ccccc1 ZINC001413365973 1130052162 /nfs/dbraw/zinc/05/21/62/1130052162.db2.gz MEXRQKPWEPAHDW-FQEVSTJZSA-N -2 1 332.363 -0.146 20 0 EBADML CCC(CC)(C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000321917092 282119956 /nfs/dbraw/zinc/11/99/56/282119956.db2.gz AVZWXRAUFAXHLA-UHFFFAOYSA-N -2 1 347.393 -0.747 20 0 EBADML O=C([O-])CNC(=O)CC[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000278204018 379917118 /nfs/dbraw/zinc/91/71/18/379917118.db2.gz HDTCLWAWPIMHHX-UHFFFAOYSA-N -2 1 340.279 -0.027 20 0 EBADML COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H]2CCOC2)o1 ZINC000547553083 380143637 /nfs/dbraw/zinc/14/36/37/380143637.db2.gz AHDQRLCZIPGYMQ-XCBNKYQSSA-N -2 1 333.318 -0.166 20 0 EBADML CCC[C@H](O)[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)co1)C(=O)[O-] ZINC000548267179 380195610 /nfs/dbraw/zinc/19/56/10/380195610.db2.gz WIXKDPCQZBPHBC-WCBMZHEXSA-N -2 1 335.334 -0.041 20 0 EBADML Cc1nc(S(=O)(=O)[N-][C@H](CO)C(=O)[O-])c(Br)n1C ZINC000287090594 381692662 /nfs/dbraw/zinc/69/26/62/381692662.db2.gz CWEGNKZFOYSLBO-RXMQYKEDSA-N -2 1 342.171 -0.785 20 0 EBADML Cc1cc(C(=O)N2CCN(CCO)CC2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000445737049 382169950 /nfs/dbraw/zinc/16/99/50/382169950.db2.gz UEAJYSOTHNZTFE-UHFFFAOYSA-N -2 1 333.348 -0.505 20 0 EBADML Cn1cc(S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-])c(=O)n(C)c1=O ZINC000262003226 154207053 /nfs/dbraw/zinc/20/70/53/154207053.db2.gz VLZRUFVXSURXGT-UHFFFAOYSA-N -2 1 333.366 -0.994 20 0 EBADML COCCNC(=O)CNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000266135976 154338293 /nfs/dbraw/zinc/33/82/93/154338293.db2.gz PMGCGJDHZLGVHF-UHFFFAOYSA-N -2 1 335.320 -0.763 20 0 EBADML O=C(CNC(=O)c1ncccc1[O-])N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000412322977 419300113 /nfs/dbraw/zinc/30/01/13/419300113.db2.gz GNUSHZXICAPWLT-VIFPVBQESA-N -2 1 346.347 -0.253 20 0 EBADML C[C@H](CC(C)(C)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000275302257 298322046 /nfs/dbraw/zinc/32/20/46/298322046.db2.gz VQBYJDUCBTYVEZ-MRVPVSSYSA-N -2 1 347.393 -0.748 20 0 EBADML CCOc1cc(C(=O)NN2CC(=O)[N-]C2=O)ccc1OCC(=O)[O-] ZINC000737185460 582995948 /nfs/dbraw/zinc/99/59/48/582995948.db2.gz UDGPNRZEJGNMRP-UHFFFAOYSA-N -2 1 337.288 -0.255 20 0 EBADML C[C@@H]1CCCN(C(=O)CCn2cc[n-]c(=O)c2=O)[C@@H]1CNC(=O)[O-] ZINC000825904312 583870483 /nfs/dbraw/zinc/87/04/83/583870483.db2.gz DYBHAMDTOGBZAI-GHMZBOCLSA-N -2 1 338.364 -0.179 20 0 EBADML O=C([N-]S(=O)(=O)C[C@H]1CCCO1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826449910 583902764 /nfs/dbraw/zinc/90/27/64/583902764.db2.gz ONMOAFSZHSGQLV-SECBINFHSA-N -2 1 338.349 -0.500 20 0 EBADML O=C([N-]S(=O)(=O)C[C@H]1CCCO1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826449910 583902766 /nfs/dbraw/zinc/90/27/66/583902766.db2.gz ONMOAFSZHSGQLV-SECBINFHSA-N -2 1 338.349 -0.500 20 0 EBADML O=C([O-])N1CCO[C@@H](C(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)C1 ZINC000831574171 583986227 /nfs/dbraw/zinc/98/62/27/583986227.db2.gz RPWYIOOQZLGRJU-GHMZBOCLSA-N -2 1 332.320 -0.216 20 0 EBADML Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000833004784 584002918 /nfs/dbraw/zinc/00/29/18/584002918.db2.gz ZWZLDFCZGQPUDP-LLVKDONJSA-N -2 1 334.332 -0.094 20 0 EBADML O=C([O-])CCC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000851702970 584200751 /nfs/dbraw/zinc/20/07/51/584200751.db2.gz NVPZAONXIIZNFF-MUWHJKNJSA-N -3 1 340.254 -0.026 20 0 EBADML O=C([O-])CCC(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000851702971 584200860 /nfs/dbraw/zinc/20/08/60/584200860.db2.gz NVPZAONXIIZNFF-RCOVLWMOSA-N -3 1 340.254 -0.026 20 0 EBADML CS(=O)(=O)c1n[n-]c(NC(=O)CC2CCN(C(=O)[O-])CC2)n1 ZINC000740007348 602029751 /nfs/dbraw/zinc/02/97/51/602029751.db2.gz UWRIAJGSFSQYDU-UHFFFAOYSA-N -2 1 331.354 -0.073 20 0 EBADML CS(=O)(=O)c1nnc(NC(=O)CC2CCN(C(=O)[O-])CC2)[n-]1 ZINC000740007348 602029752 /nfs/dbraw/zinc/02/97/52/602029752.db2.gz UWRIAJGSFSQYDU-UHFFFAOYSA-N -2 1 331.354 -0.073 20 0 EBADML CC(C)N(CCCNC(=O)CCn1cc[n-]c(=O)c1=O)C(=O)[O-] ZINC000738848919 602406573 /nfs/dbraw/zinc/40/65/73/602406573.db2.gz FACNEGANXQLKAV-UHFFFAOYSA-N -2 1 326.353 -0.179 20 0 EBADML O=C([O-])Nc1ccc(C(=O)N2CC[C@]3(C2)NC(=O)NC3=O)c([O-])c1 ZINC000740699249 602868041 /nfs/dbraw/zinc/86/80/41/602868041.db2.gz HFYIEPVCVZWJKY-CQSZACIVSA-N -2 1 334.288 -0.094 20 0 EBADML CSCC[C@@H](NC(=O)[O-])C(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000740008973 602907850 /nfs/dbraw/zinc/90/78/50/602907850.db2.gz PUNXAVJQCNVMLD-RXMQYKEDSA-N -2 1 337.383 -0.464 20 0 EBADML CSCC[C@@H](NC(=O)[O-])C(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000740008973 602907852 /nfs/dbraw/zinc/90/78/52/602907852.db2.gz PUNXAVJQCNVMLD-RXMQYKEDSA-N -2 1 337.383 -0.464 20 0 EBADML COC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H](CCCC(=O)[O-])C(=O)[O-] ZINC000912557560 650208899 /nfs/dbraw/zinc/20/88/99/650208899.db2.gz DDAIQIVPDIVGAM-SSDOTTSWSA-N -3 1 349.321 -0.817 20 0 EBADML O=C(c1ncccc1[O-])N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2 ZINC001072653916 741453756 /nfs/dbraw/zinc/45/37/56/741453756.db2.gz UPHHVAHQLNMPNQ-UHFFFAOYSA-N -2 1 330.348 -0.041 20 0 EBADML O=C(Oc1[nH]c(=S)nc2nc[n-]c21)[C@H](O)COP(=O)([O-])[O-] ZINC001227615724 811930615 /nfs/dbraw/zinc/93/06/15/811930615.db2.gz DNWWQONKCHVTRL-GSVOUGTGSA-N -3 1 336.222 -0.983 20 0 EBADML O=C([O-])CC1(NC(=O)CCn2cc[n-]c(=O)c2=O)CCOCC1 ZINC001261646258 812959982 /nfs/dbraw/zinc/95/99/82/812959982.db2.gz BRXKDHOGUGFKAA-UHFFFAOYSA-N -2 1 325.321 -0.933 20 0 EBADML O=C(N[C@H]1CCC(=O)NC1=O)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001148927168 830557064 /nfs/dbraw/zinc/55/70/64/830557064.db2.gz GTMYVHBIEKZWQD-QMMMGPOBSA-N -2 1 328.302 -0.826 20 0 EBADML O=C(NCc1nc2c(c(=O)[n-]1)COCC2)c1c[n-]n2c1nccc2=O ZINC001152717201 831184397 /nfs/dbraw/zinc/18/43/97/831184397.db2.gz PNIPHZWUDZEWNC-UHFFFAOYSA-N -2 1 342.315 -0.479 20 0 EBADML CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc(=O)n(C)[n-]2)c1 ZINC001194201873 835047671 /nfs/dbraw/zinc/04/76/71/835047671.db2.gz QPCRGMXWLYKYMC-UHFFFAOYSA-N -2 1 326.334 -0.008 20 0 EBADML O=C([O-])[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001594895720 954563545 /nfs/dbraw/zinc/56/35/45/954563545.db2.gz HFPXSLQNIQJRLH-IYSWYEEDSA-N -2 1 337.258 -0.394 20 0 EBADML CON(C)C(=O)CN1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC001594040537 957865998 /nfs/dbraw/zinc/86/59/98/957865998.db2.gz MVDIGWHXKWUPJJ-CBAPKCEASA-N -2 1 341.286 -0.398 20 0 EBADML O=C([O-])[C@]1([N-]S(=O)(=O)c2c[nH]nc2C(F)(F)F)CCOC1 ZINC001574640658 962347918 /nfs/dbraw/zinc/34/79/18/962347918.db2.gz WRFYQDUPHXZPOZ-QMMMGPOBSA-N -2 1 329.256 -0.050 20 0 EBADML C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@]2(C(=O)[O-])CCOC2)o1 ZINC001571200136 962356026 /nfs/dbraw/zinc/35/60/26/962356026.db2.gz GVOBWTCZTWMQSK-LBPRGKRZSA-N -2 1 332.334 -0.591 20 0 EBADML O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1cnc(C2CC2)[n-]c1=O ZINC001606057013 973172955 /nfs/dbraw/zinc/17/29/55/973172955.db2.gz KAJSOLDDCMEPNM-VIFPVBQESA-N -2 1 341.345 -0.617 20 0 EBADML C[C@@H]1CCN(CC(=O)NCCC(=O)[O-])C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001599848509 988974631 /nfs/dbraw/zinc/97/46/31/988974631.db2.gz PDXDPIHZXZMIJW-BDAKNGLRSA-N -2 1 339.314 -0.034 20 0 EBADML C[N-]S(=O)(=O)c1cc(C(=O)N[C@@]2(CC(=O)[O-])CCCOC2)co1 ZINC001598673204 994794941 /nfs/dbraw/zinc/79/49/41/994794941.db2.gz IYIQIZFOBCKDQB-CYBMUJFWSA-N -2 1 346.361 -0.059 20 0 EBADML C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H](OC)C[C@@]2(C)C(=O)[O-])co1 ZINC001598673263 994795306 /nfs/dbraw/zinc/79/53/06/994795306.db2.gz KDMXSGJAWZYUBZ-ZANVPECISA-N -2 1 346.361 -0.108 20 0 EBADML C[N-]S(=O)(=O)c1cc(C(=O)N2CCOC[C@@H]2CC(=O)[O-])co1 ZINC001598673736 994803773 /nfs/dbraw/zinc/80/37/73/994803773.db2.gz YMGZTUONJWNNEN-VIFPVBQESA-N -2 1 332.334 -0.497 20 0 EBADML C[N-]S(=O)(=O)c1cc(C(=O)N2CCOC[C@H]2CC(=O)[O-])co1 ZINC001598673735 994804324 /nfs/dbraw/zinc/80/43/24/994804324.db2.gz YMGZTUONJWNNEN-SECBINFHSA-N -2 1 332.334 -0.497 20 0 EBADML COc1c(=O)[n-]c(=O)[nH]c1C(=O)N(C)[C@@H](COC(C)C)C(=O)[O-] ZINC001599328941 997713923 /nfs/dbraw/zinc/71/39/23/997713923.db2.gz SJHVBNMZRPBMHU-ZETCQYMHSA-N -2 1 329.309 -0.153 20 0 EBADML COC(=O)c1cc(S(=O)(=O)N[C@@H](CC(F)F)C(=O)[O-])[n-]n1 ZINC001598953801 998203068 /nfs/dbraw/zinc/20/30/68/998203068.db2.gz JRBLNEWNZWVAJU-BYPYZUCNSA-N -2 1 327.265 -0.417 20 0 EBADML COC(=O)c1cc(S(=O)(=O)N[C@@H](CC(F)F)C(=O)[O-])n[n-]1 ZINC001598953801 998203079 /nfs/dbraw/zinc/20/30/79/998203079.db2.gz JRBLNEWNZWVAJU-BYPYZUCNSA-N -2 1 327.265 -0.417 20 0 EBADML COC(=O)c1cc(S(=O)(=O)N[C@H](CC(F)F)C(=O)[O-])[n-]n1 ZINC001598953802 998203471 /nfs/dbraw/zinc/20/34/71/998203471.db2.gz JRBLNEWNZWVAJU-SCSAIBSYSA-N -2 1 327.265 -0.417 20 0 EBADML COC(=O)c1cc(S(=O)(=O)N[C@H](CC(F)F)C(=O)[O-])n[n-]1 ZINC001598953802 998203479 /nfs/dbraw/zinc/20/34/79/998203479.db2.gz JRBLNEWNZWVAJU-SCSAIBSYSA-N -2 1 327.265 -0.417 20 0 EBADML CCC[C@H](O)[C@H]([N-]S(=O)(=O)c1n[nH]cc1C(=O)OCC)C(=O)[O-] ZINC000548232588 380192116 /nfs/dbraw/zinc/19/21/16/380192116.db2.gz UHHVVLAFTCZANC-IUCAKERBSA-N -2 1 349.365 -0.521 20 0 EBADML COC(=O)c1coc(S(=O)(=O)[N-]Cc2cn(CC(=O)[O-])nn2)c1 ZINC000548558178 380215051 /nfs/dbraw/zinc/21/50/51/380215051.db2.gz KUNABJCICFVJOJ-UHFFFAOYSA-N -2 1 344.305 -0.779 20 0 EBADML CO[C@H](C[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)C(=O)[O-] ZINC000578354197 380923909 /nfs/dbraw/zinc/92/39/09/380923909.db2.gz RPQFQPNZFYJMJI-RXMQYKEDSA-N -2 1 331.272 -0.183 20 0 EBADML Cc1cc(C(=O)NCCc2ncn(C)n2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000531274970 419220424 /nfs/dbraw/zinc/22/04/24/419220424.db2.gz ZSNGOUYYURIORB-UHFFFAOYSA-N -2 1 329.320 -0.155 20 0 EBADML Cn1cnc(S(=O)(=O)[N-][C@H](CCC(=O)[O-])C(=O)[O-])c1Cl ZINC000776437191 583404126 /nfs/dbraw/zinc/40/41/26/583404126.db2.gz BAGBRGUZXOGKCC-RXMQYKEDSA-N -3 1 325.730 -0.330 20 0 EBADML Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2ncn(C)c2Cl)n1 ZINC000822623416 583814588 /nfs/dbraw/zinc/81/45/88/583814588.db2.gz WILXTWWVBIEKTP-UHFFFAOYSA-N -2 1 343.760 -0.212 20 0 EBADML Cn1cc(-c2nn[n-]n2)c([N-]S(=O)(=O)c2ncn(C)c2Cl)n1 ZINC000822623416 583814590 /nfs/dbraw/zinc/81/45/90/583814590.db2.gz WILXTWWVBIEKTP-UHFFFAOYSA-N -2 1 343.760 -0.212 20 0 EBADML CCOC[C@H](C(=O)[O-])N(C)C(=O)c1ccc(S(=O)(=O)[N-]C)o1 ZINC000829973236 583961155 /nfs/dbraw/zinc/96/11/55/583961155.db2.gz UVSJXCMWTRWXFY-MRVPVSSYSA-N -2 1 334.350 -0.251 20 0 EBADML C[N-]S(=O)(=O)c1ccc(C(=O)NC2(CC(=O)[O-])CCOCC2)o1 ZINC000831034232 583975189 /nfs/dbraw/zinc/97/51/89/583975189.db2.gz PALFNKASVMFFTN-UHFFFAOYSA-N -2 1 346.361 -0.059 20 0 EBADML O=C([O-])N1CCSC[C@@H]1CC(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000831403554 583982324 /nfs/dbraw/zinc/98/23/24/583982324.db2.gz YIRYUDBRJIEXPD-IUCAKERBSA-N -2 1 342.381 -0.415 20 0 EBADML O=C([O-])N1[C@@H]2CC[C@H]1CN(C(=O)CCn1cc[n-]c(=O)c1=O)CC2 ZINC000831441061 583982734 /nfs/dbraw/zinc/98/27/34/583982734.db2.gz BZFJDLXHRMFWMV-MNOVXSKESA-N -2 1 336.348 -0.330 20 0 EBADML O=C([O-])N1CCO[C@H](C(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)C1 ZINC000831574174 583986251 /nfs/dbraw/zinc/98/62/51/583986251.db2.gz RPWYIOOQZLGRJU-WDEREUQCSA-N -2 1 332.320 -0.216 20 0 EBADML CNC(=O)CC(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000851704055 584200853 /nfs/dbraw/zinc/20/08/53/584200853.db2.gz RUVVAAYZHAPITJ-RCOVLWMOSA-N -2 1 339.270 -0.755 20 0 EBADML CSCC[C@H](NC(=O)[O-])C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000740010389 602501290 /nfs/dbraw/zinc/50/12/90/602501290.db2.gz BZUSCZXTLNDRDO-JGVFFNPUSA-N -2 1 330.370 -0.511 20 0 EBADML O=C([O-])NCc1nc(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)cs1 ZINC000740682574 602714191 /nfs/dbraw/zinc/71/41/91/602714191.db2.gz UJJKRZXFYDZVMW-SSDOTTSWSA-N -2 1 339.337 -0.363 20 0 EBADML O=C([O-])NCc1nc(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)cs1 ZINC000740682577 602714266 /nfs/dbraw/zinc/71/42/66/602714266.db2.gz UJJKRZXFYDZVMW-ZETCQYMHSA-N -2 1 339.337 -0.363 20 0 EBADML O=C([O-])N1CCc2c(cccc2NC(=O)C(=O)NCc2nn[n-]n2)C1 ZINC000740452998 602763862 /nfs/dbraw/zinc/76/38/62/602763862.db2.gz WTHYQDIUJUXXSC-UHFFFAOYSA-N -2 1 345.319 -0.509 20 0 EBADML CNC(=O)[N-][N-]S(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000057124779 649960121 /nfs/dbraw/zinc/96/01/21/649960121.db2.gz UNXXPQSTXFUBCQ-UHFFFAOYSA-N -2 1 336.395 -0.941 20 0 EBADML Cc1n[nH]c(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)CC[C@@H]2C)c1[O-] ZINC000965915434 724539404 /nfs/dbraw/zinc/53/94/04/724539404.db2.gz BPZZSGPRDAJGGA-WCBMZHEXSA-N -2 1 349.395 -0.514 20 0 EBADML COCc1cc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])[n-]c(=S)n1 ZINC001225936625 811837908 /nfs/dbraw/zinc/83/79/08/811837908.db2.gz BNTGLGGSIMMNIB-MUWHJKNJSA-N -3 1 346.317 -0.647 20 0 EBADML NC(=O)[C@H]1CC12CN(C(=O)c1cc(S(=O)(=O)[O-])ccc1[O-])C2 ZINC001269668762 814762363 /nfs/dbraw/zinc/76/23/63/814762363.db2.gz BFYGCLXCFWSJJG-SECBINFHSA-N -2 1 326.330 -0.414 20 0 EBADML NC(=O)N1CCN(C(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])CC1 ZINC001148917386 830555426 /nfs/dbraw/zinc/55/54/26/830555426.db2.gz BWHBEMCLHDOAGP-UHFFFAOYSA-N -2 1 329.334 -0.525 20 0 EBADML O=C([N-]CCNC(=O)c1cc(=O)[nH][n-]1)C(F)(F)Br ZINC001193474668 834885722 /nfs/dbraw/zinc/88/57/22/834885722.db2.gz GHAFIVAGMQRVLL-UHFFFAOYSA-N -2 1 327.085 -0.051 20 0 EBADML CCOC(=O)c1nc([C@@H](C)NC(=O)[C@]2(C(=O)[O-])CCCO2)n[n-]1 ZINC001591278979 951110100 /nfs/dbraw/zinc/11/01/00/951110100.db2.gz CSGGTNFGBWHKDN-UHLUBPPHSA-N -2 1 326.309 -0.208 20 0 EBADML CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)[C@]2(C(=O)[O-])CCCO2)n1 ZINC001591278979 951110104 /nfs/dbraw/zinc/11/01/04/951110104.db2.gz CSGGTNFGBWHKDN-UHLUBPPHSA-N -2 1 326.309 -0.208 20 0 EBADML Cn1cc(S(=O)(=O)[N-]Cc2ccc(C(=O)[O-])cc2)c(=O)[nH]c1=O ZINC001594549369 955709338 /nfs/dbraw/zinc/70/93/38/955709338.db2.gz HZCCLOWCZMCFIK-UHFFFAOYSA-N -2 1 339.329 -0.337 20 0 EBADML NC(=O)CCC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC001594638585 956396008 /nfs/dbraw/zinc/39/60/08/956396008.db2.gz MVAAFAYTAIZREK-MUWHJKNJSA-N -2 1 339.270 -0.625 20 0 EBADML CC(C)CN(Cc1nn[n-]n1)C(=O)c1cccn(CC(=O)[O-])c1=O ZINC001588870273 962051858 /nfs/dbraw/zinc/05/18/58/962051858.db2.gz DIPAHQBFTLUASK-UHFFFAOYSA-N -2 1 334.336 -0.256 20 0 EBADML COC(=O)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001604268613 972818602 /nfs/dbraw/zinc/81/86/02/972818602.db2.gz VYUQVJUZCGSIDW-RQJHMYQMSA-N -2 1 348.299 -0.136 20 0 EBADML COC(=O)c1cc(S(=O)(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)[n-]n1 ZINC001604375821 973092561 /nfs/dbraw/zinc/09/25/61/973092561.db2.gz AJQBWUGXPNFEHG-YUMQZZPRSA-N -2 1 331.350 -0.072 20 0 EBADML COC(=O)c1cc(S(=O)(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)n[n-]1 ZINC001604375821 973092572 /nfs/dbraw/zinc/09/25/72/973092572.db2.gz AJQBWUGXPNFEHG-YUMQZZPRSA-N -2 1 331.350 -0.072 20 0 EBADML C[C@@](CC(=O)[O-])(NC(=O)CCn1cc[n-]c(=O)c1=O)c1ccccn1 ZINC001592282265 977583384 /nfs/dbraw/zinc/58/33/84/977583384.db2.gz HDFQMVWFGFEZKO-INIZCTEOSA-N -2 1 346.343 -0.172 20 0 EBADML CC[C@H](C)C[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O)C(=O)[O-] ZINC001594954054 982684100 /nfs/dbraw/zinc/68/41/00/982684100.db2.gz YFQGYMJGIUQHGY-YUMQZZPRSA-N -2 1 333.366 -0.346 20 0 EBADML CC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O)C(=O)[O-] ZINC001594954048 982684108 /nfs/dbraw/zinc/68/41/08/982684108.db2.gz YFQGYMJGIUQHGY-JGVFFNPUSA-N -2 1 333.366 -0.346 20 0 EBADML C[C@H](O)[C@@H]([N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F)C(=O)[O-] ZINC001599905003 984910694 /nfs/dbraw/zinc/91/06/94/984910694.db2.gz NJZFEYWZWDAJNL-AJAUBTJJSA-N -3 1 339.272 -0.225 20 0 EBADML COc1cc[n-]c(=NNS(=O)(=O)c2ccc(C(=O)[O-])nc2)n1 ZINC001599722840 991569202 /nfs/dbraw/zinc/56/92/02/991569202.db2.gz VCYFMYBHKUDPEG-UHFFFAOYSA-N -2 1 325.306 -0.116 20 0 EBADML C[C@H](NC(=O)c1ccc(-n2[n-]c(CC(=O)[O-])cc2=O)cc1)C(N)=O ZINC001593155855 993969587 /nfs/dbraw/zinc/96/95/87/993969587.db2.gz DYBGHEUQIKAQKR-QMMMGPOBSA-N -2 1 332.316 -0.604 20 0 EBADML CNC(=O)[C@@H](O)C[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001598632619 994194363 /nfs/dbraw/zinc/19/43/63/994194363.db2.gz NGYWGWYLCVAQGJ-ZETCQYMHSA-N -2 1 338.288 -0.952 20 0 EBADML COC(=O)[C@H]([N-]S(=O)(=O)CC(C)(C)C(=O)[O-])c1ccnn1C ZINC001598709570 995331401 /nfs/dbraw/zinc/33/14/01/995331401.db2.gz PVMOWCYMOCVHME-SECBINFHSA-N -2 1 333.366 -0.336 20 0 EBADML C[C@@]1([N-]C(=O)C(F)(F)F)CCN(CC(=O)NCCC(=O)[O-])C1 ZINC001594053768 997776919 /nfs/dbraw/zinc/77/69/19/997776919.db2.gz YCIVMEJOBFCWEY-LLVKDONJSA-N -2 1 325.287 -0.280 20 0 EBADML COC[C@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1n[nH]cc1C(=O)OC ZINC001599150536 998289281 /nfs/dbraw/zinc/28/92/81/998289281.db2.gz QRVMWSRBSJKFLT-NSHDSACASA-N -2 1 335.338 -0.646 20 0 EBADML Cn1[nH]cnc1=NC([O-])=C([O-])[C@](O)(c1ccccc1)C(F)(F)F ZINC001412731612 1129604514 /nfs/dbraw/zinc/60/45/14/1129604514.db2.gz UTWVGUSAIKXZNA-JOYOIKCWSA-N -2 1 330.266 -0.014 20 0 EBADML Cc1cc(C(=O)N[C@H](CO)[C@H]2CCOC2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC001362309811 1131557381 /nfs/dbraw/zinc/55/73/81/1131557381.db2.gz WMXWKIGEVVDMQZ-WCBMZHEXSA-N -2 1 334.332 -0.128 20 0 EBADML Cc1cc(C(=O)N[C@@H](CO)[C@@H]2CCOC2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC001362309800 1131557471 /nfs/dbraw/zinc/55/74/71/1131557471.db2.gz WMXWKIGEVVDMQZ-SCZZXKLOSA-N -2 1 334.332 -0.128 20 0 EBADML COC(=O)c1coc(S(=O)(=O)[N-]C[C@](C)(CO)CC(=O)[O-])c1 ZINC000275554210 379762155 /nfs/dbraw/zinc/76/21/55/379762155.db2.gz DYOZKLOLHUTUBH-GFCCVEGCSA-N -2 1 335.334 -0.182 20 0 EBADML COC(=O)c1coc(S(=O)(=O)[N-]C[C@@](C)(CO)CC(=O)[O-])c1 ZINC000275554214 379762567 /nfs/dbraw/zinc/76/25/67/379762567.db2.gz DYOZKLOLHUTUBH-LBPRGKRZSA-N -2 1 335.334 -0.182 20 0 EBADML Cn1cnc(S(=O)(=O)[N-]C[C@](C)(CO)CC(=O)[O-])c1Cl ZINC000275573440 379764445 /nfs/dbraw/zinc/76/44/45/379764445.db2.gz GPIAZJUXLUVCFH-SNVBAGLBSA-N -2 1 325.774 -0.175 20 0 EBADML CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(=O)[O-])o1 ZINC000548203695 380189023 /nfs/dbraw/zinc/18/90/23/380189023.db2.gz WAUGIEMDVPCVLT-LURJTMIESA-N -3 1 335.290 -0.338 20 0 EBADML CCC[C@@H](O)[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)co1)C(=O)[O-] ZINC000548267177 380195837 /nfs/dbraw/zinc/19/58/37/380195837.db2.gz WIXKDPCQZBPHBC-PSASIEDQSA-N -2 1 335.334 -0.041 20 0 EBADML COC(=O)c1ccc(S(=O)(=O)[N-]C2(C(=O)[O-])CCOCC2)o1 ZINC000367244346 380210029 /nfs/dbraw/zinc/21/00/29/380210029.db2.gz PVGHJNPXHLWMKE-UHFFFAOYSA-N -2 1 333.318 -0.022 20 0 EBADML CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(=O)[O-])o1 ZINC000548530879 380213445 /nfs/dbraw/zinc/21/34/45/380213445.db2.gz WAUGIEMDVPCVLT-ZCFIWIBFSA-N -3 1 335.290 -0.338 20 0 EBADML CC[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000296842534 380662460 /nfs/dbraw/zinc/66/24/60/380662460.db2.gz BYGUFAXLCMEZFX-MRVPVSSYSA-N -2 1 333.366 -0.994 20 0 EBADML CCC(C)(C)[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000577280717 380815996 /nfs/dbraw/zinc/81/59/96/380815996.db2.gz JEQDCEISBGHIML-VIFPVBQESA-N -2 1 347.393 -0.748 20 0 EBADML CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@](C)(O)C(=O)[O-])o1 ZINC000349086318 381437212 /nfs/dbraw/zinc/43/72/12/381437212.db2.gz VBJAHZWNGMMPHN-CYBMUJFWSA-N -2 1 348.377 -0.078 20 0 EBADML COC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)o1)C(=O)[O-] ZINC000275197008 154642391 /nfs/dbraw/zinc/64/23/91/154642391.db2.gz GGAQPLHCLNXJBR-LURJTMIESA-N -2 1 335.290 -0.639 20 0 EBADML COC(=O)[C@]1(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)CCOC1 ZINC000268006191 419319007 /nfs/dbraw/zinc/31/90/07/419319007.db2.gz OERDJPFZGDKATE-HNNXBMFYSA-N -2 1 348.315 -0.194 20 0 EBADML COC[C@H]1C[C@@H](O)CN1C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000652822884 419468303 /nfs/dbraw/zinc/46/83/03/419468303.db2.gz MVIWOKHSSLHYLK-RKDXNWHRSA-N -2 1 334.332 -0.034 20 0 EBADML Cc1onc(N)c1S(=O)(=O)[N-]C[C@@H](Cc1cnn(C)c1)C(=O)[O-] ZINC000571094665 420661597 /nfs/dbraw/zinc/66/15/97/420661597.db2.gz SKEIZGCTCDLNHR-SECBINFHSA-N -2 1 343.365 -0.479 20 0 EBADML Cc1cc(C)n(C[C@@H]([N-]S(=O)(=O)c2c(C)onc2N)C(=O)[O-])n1 ZINC000579598918 420664679 /nfs/dbraw/zinc/66/46/79/420664679.db2.gz AFOFYVPGUXUMPT-SECBINFHSA-N -2 1 343.365 -0.190 20 0 EBADML COC(=O)c1oc(S(=O)(=O)[N-][C@H](CCC(=O)[O-])C(=O)[O-])cc1C ZINC000596033422 545801639 /nfs/dbraw/zinc/80/16/39/545801639.db2.gz VJHKLDNKLUXYOP-SSDOTTSWSA-N -3 1 349.317 -0.029 20 0 EBADML C[C@@H]1CCCN(C(=O)CCn2cc[n-]c(=O)c2=O)[C@H]1CNC(=O)[O-] ZINC000825904313 583870428 /nfs/dbraw/zinc/87/04/28/583870428.db2.gz DYBHAMDTOGBZAI-MNOVXSKESA-N -2 1 338.364 -0.179 20 0 EBADML O=C([O-])C1(NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CCCC1 ZINC000826461405 583902659 /nfs/dbraw/zinc/90/26/59/583902659.db2.gz SYKREMGBKLVILS-UHFFFAOYSA-N -2 1 338.349 -0.063 20 0 EBADML O=C([O-])C1(NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CCCC1 ZINC000826461405 583902661 /nfs/dbraw/zinc/90/26/61/583902661.db2.gz SYKREMGBKLVILS-UHFFFAOYSA-N -2 1 338.349 -0.063 20 0 EBADML O=C(c1cccc(-c2nc(=O)o[n-]2)c1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000826833405 583911111 /nfs/dbraw/zinc/91/11/11/583911111.db2.gz CPMMZLJCGSNBLE-JTQLQIEISA-N -2 1 343.303 -0.243 20 0 EBADML CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)CCn1cc[n-]c(=O)c1=O ZINC000827002183 583913795 /nfs/dbraw/zinc/91/37/95/583913795.db2.gz WKGVSBLXOPARDP-JTQLQIEISA-N -2 1 327.337 -0.737 20 0 EBADML O=C([O-])Cn1cc(CCS(=O)(=O)c2n[n-]c(C3CC3)n2)nn1 ZINC000833271993 584007953 /nfs/dbraw/zinc/00/79/53/584007953.db2.gz RKIHNAUYIBYJQU-UHFFFAOYSA-N -2 1 326.338 -0.625 20 0 EBADML Cc1cnn(C[C@@H]([N-]S(=O)(=O)c2c[nH]nc2Cl)C(=O)[O-])c1 ZINC000837290458 584047698 /nfs/dbraw/zinc/04/76/98/584047698.db2.gz VYNPQNMCZGRBFP-SSDOTTSWSA-N -2 1 333.757 0.000 20 0 EBADML Cn1cnc(S(=O)(=O)[N-][C@H](Cc2ncccn2)C(=O)[O-])c1Cl ZINC000844813386 584097510 /nfs/dbraw/zinc/09/75/10/584097510.db2.gz FYHVOSSSMVWUBH-SSDOTTSWSA-N -2 1 345.768 -0.162 20 0 EBADML C[C@H](C(=O)[O-])C(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000851704087 584200876 /nfs/dbraw/zinc/20/08/76/584200876.db2.gz SGZIWWKCJYJCAG-XVMARJQXSA-N -3 1 340.254 -0.170 20 0 EBADML O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1CC(=O)NC1CC1 ZINC000852736873 584215228 /nfs/dbraw/zinc/21/52/28/584215228.db2.gz PBPUGYDDFCSSLN-WCBMZHEXSA-N -2 1 337.298 -0.139 20 0 EBADML CSCC[C@@H](NC(=O)[O-])C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000740014780 602500592 /nfs/dbraw/zinc/50/05/92/602500592.db2.gz BZUSCZXTLNDRDO-HTQZYQBOSA-N -2 1 330.370 -0.511 20 0 EBADML COC1(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)CCN(C(=O)[O-])CC1 ZINC000739798819 602501340 /nfs/dbraw/zinc/50/13/40/602501340.db2.gz KYPWGDSCBZKQQL-SECBINFHSA-N -2 1 340.340 -0.741 20 0 EBADML O=C([O-])N1CCc2cc(NC(=O)C(=O)NCc3nn[n-]n3)ccc21 ZINC000740451955 602763912 /nfs/dbraw/zinc/76/39/12/602763912.db2.gz CZQKFICHIUBJGM-UHFFFAOYSA-N -2 1 331.292 -0.505 20 0 EBADML CC(C)C[C@@H](CNC(=O)[O-])NC(=O)CCn1cc[n-]c(=O)c1=O ZINC000738803343 602791892 /nfs/dbraw/zinc/79/18/92/602791892.db2.gz FIMATEUOFSUNCQ-JTQLQIEISA-N -2 1 326.353 -0.275 20 0 EBADML Cc1o[n-]c(=N)c1S(=O)(=O)N[C@H](Cc1ncccn1)C(=O)[O-] ZINC000650428212 650030131 /nfs/dbraw/zinc/03/01/31/650030131.db2.gz GCQCJRXAIREXMU-SSDOTTSWSA-N -2 1 327.322 -0.840 20 0 EBADML Cc1onc(N)c1S(=O)(=O)[N-][C@H](Cc1ncccn1)C(=O)[O-] ZINC000650428212 650030134 /nfs/dbraw/zinc/03/01/34/650030134.db2.gz GCQCJRXAIREXMU-SSDOTTSWSA-N -2 1 327.322 -0.840 20 0 EBADML Cc1n[nH]c(C(=O)NCCN(CCO)C(=O)c2ncccc2[O-])c1[O-] ZINC001057410836 737231144 /nfs/dbraw/zinc/23/11/44/737231144.db2.gz YDVKGLDEPXWPGO-UHFFFAOYSA-N -2 1 349.347 -0.611 20 0 EBADML CC(=O)c1c(O)cc([O-])cc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001225675052 811823050 /nfs/dbraw/zinc/82/30/50/811823050.db2.gz QTBXTGGKWGMNNT-JVXZTZIISA-N -3 1 342.256 -0.258 20 0 EBADML CN1CCO[C@H]2CN(C(=O)c3cc(S(=O)(=O)[O-])ccc3[O-])C[C@@H]21 ZINC001270199606 815718883 /nfs/dbraw/zinc/71/88/83/815718883.db2.gz BLNAEPZLZVESLO-AAEUAGOBSA-N -2 1 342.373 -0.206 20 0 EBADML C[C@]1(CO)CN(C(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])CC[C@@H]1O ZINC001148917171 830554764 /nfs/dbraw/zinc/55/47/64/830554764.db2.gz NJGPJVXCPZCSDV-GXTWGEPZSA-N -2 1 345.373 -0.156 20 0 EBADML O=C(NCCCc1c[nH][nH]c1=O)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001148928200 830556758 /nfs/dbraw/zinc/55/67/58/830556758.db2.gz YFWYDLUQEDFPCK-QMMMGPOBSA-N -2 1 341.345 -0.119 20 0 EBADML CC(C)n1nnc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)o2)n1 ZINC001574473227 949562325 /nfs/dbraw/zinc/56/23/25/949562325.db2.gz YSPARYYROURIKI-UHFFFAOYSA-N -2 1 325.314 -0.172 20 0 EBADML O=C([O-])CC1(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)CCOCC1 ZINC001594973366 950890357 /nfs/dbraw/zinc/89/03/57/950890357.db2.gz ZZVGWALGNWICFI-VIFPVBQESA-N -2 1 325.325 -0.629 20 0 EBADML CCOC(=O)c1n[n-]nc1[C@@H]1CCCN1C(=O)[C@H](OC)C(=O)[O-] ZINC001591280418 951128090 /nfs/dbraw/zinc/12/80/90/951128090.db2.gz RKTDDCHUBVUPMC-XVKPBYJWSA-N -2 1 326.309 -0.256 20 0 EBADML COC(=O)c1c[nH]nc1S(=O)(=O)[N-]C1(C(=O)[O-])CCOCC1 ZINC001593890494 955773964 /nfs/dbraw/zinc/77/39/64/955773964.db2.gz FMASYNAKHIUFER-UHFFFAOYSA-N -2 1 333.322 -0.892 20 0 EBADML O=C([O-])c1ccccc1CC(=O)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001574810974 957876838 /nfs/dbraw/zinc/87/68/38/957876838.db2.gz RJTRNLGMMDMYLN-UHFFFAOYSA-N -2 1 331.332 -0.049 20 0 EBADML COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001594045852 957920615 /nfs/dbraw/zinc/92/06/15/957920615.db2.gz ARFGLQLLTYTHDT-IYQDAUBNSA-N -2 1 325.277 -0.930 20 0 EBADML CC(C)CN(Cc1nn[n-]n1)C(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001573523322 959135101 /nfs/dbraw/zinc/13/51/01/959135101.db2.gz YEJLALYVTQRIGB-JTQLQIEISA-N -2 1 338.368 -0.493 20 0 EBADML C[C@H](C(=O)[O-])N(C(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2)C1CC1 ZINC001588582349 959269408 /nfs/dbraw/zinc/26/94/08/959269408.db2.gz JWGMJTAHKZDRCQ-MRVPVSSYSA-N -2 1 331.332 -0.256 20 0 EBADML C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@](COC)(C(=O)[O-])C2)co1 ZINC001574037393 962052144 /nfs/dbraw/zinc/05/21/44/962052144.db2.gz VCNHZMNCHBVRPJ-ZDUSSCGKSA-N -2 1 346.361 -0.249 20 0 EBADML CC[C@@](COC)([N-]S(=O)(=O)c1n[nH]cc1C(=O)OC)C(=O)[O-] ZINC001595199545 979942116 /nfs/dbraw/zinc/94/21/16/979942116.db2.gz JQNGCWHUQWFOQQ-NSHDSACASA-N -2 1 335.338 -0.646 20 0 EBADML CCS(=O)(CC)=NS(=O)(=O)[N-][C@@H](C(=O)[O-])c1ccnn1C ZINC001597246464 987227481 /nfs/dbraw/zinc/22/74/81/987227481.db2.gz SYRKJVLOMREQJP-SECBINFHSA-N -2 1 338.411 -0.112 20 0 EBADML C[C@@H]1C[C@H](C(=O)N2CCSC[C@@H]2c2nn[n-]n2)O[C@H]1C(=O)[O-] ZINC001599873804 989391295 /nfs/dbraw/zinc/39/12/95/989391295.db2.gz INSXBLNVYBQDIQ-FNCVBFRFSA-N -2 1 327.366 -0.306 20 0 EBADML COC(=O)[C@@H]([N-]S(=O)(=O)CC(C)(C)C(=O)[O-])c1ccnn1C ZINC001598709571 995331352 /nfs/dbraw/zinc/33/13/52/995331352.db2.gz PVMOWCYMOCVHME-VIFPVBQESA-N -2 1 333.366 -0.336 20 0 EBADML COc1cc2[n-]cc(C(=O)N3CC(O)(C(=O)[O-])C3)c(=O)c2c(OC)c1 ZINC001599449297 998064686 /nfs/dbraw/zinc/06/46/86/998064686.db2.gz WMSJJSJCQPLZEA-UHFFFAOYSA-N -2 1 348.311 -0.183 20 0 EBADML COC(=O)c1cc(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])[C@@H]3C[C@@H]32)[n-]n1 ZINC001598955888 998239905 /nfs/dbraw/zinc/23/99/05/998239905.db2.gz TVGCZGFCHGRTRB-CWKFCGSDSA-N -2 1 329.334 -0.416 20 0 EBADML COC(=O)c1cc(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])[C@@H]3C[C@@H]32)n[n-]1 ZINC001598955888 998239916 /nfs/dbraw/zinc/23/99/16/998239916.db2.gz TVGCZGFCHGRTRB-CWKFCGSDSA-N -2 1 329.334 -0.416 20 0 EBADML CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001412821113 1129672936 /nfs/dbraw/zinc/67/29/36/1129672936.db2.gz AKASIQUHQQVZTH-UHFFFAOYSA-N -2 1 328.350 -0.745 20 0 EBADML Cc1cc(C(=O)N2CC(S(C)(=O)=O)C2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC001362763570 1131666705 /nfs/dbraw/zinc/66/67/05/1131666705.db2.gz XAHCKWZFMBNWCC-UHFFFAOYSA-N -2 1 338.345 -0.387 20 0 EBADML Cc1cc(C(=O)N2C[C@@H](O)C[C@@]2(C)CO)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC001363098110 1131783777 /nfs/dbraw/zinc/78/37/77/1131783777.db2.gz BWCUTJSJOOIKOJ-AYVTZFPOSA-N -2 1 334.332 -0.298 20 0 EBADML COC(=O)CC[C@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)o1)C(=O)[O-] ZINC000275244954 379746115 /nfs/dbraw/zinc/74/61/15/379746115.db2.gz KRNKVOGBBQBVAF-ZETCQYMHSA-N -2 1 349.317 -0.249 20 0 EBADML CCC[C@@H](O)[C@@H]([N-]S(=O)(=O)c1n[nH]cc1C(=O)OCC)C(=O)[O-] ZINC000548232589 380191833 /nfs/dbraw/zinc/19/18/33/380191833.db2.gz UHHVVLAFTCZANC-RKDXNWHRSA-N -2 1 349.365 -0.521 20 0 EBADML Cc1cc(C(=O)N2C[C@H](C)O[C@H](CO)C2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000347533251 381231108 /nfs/dbraw/zinc/23/11/08/381231108.db2.gz PCSUJEGXESBFBX-IUCAKERBSA-N -2 1 334.332 -0.034 20 0 EBADML C[C@@H](NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)C(=O)[O-] ZINC000261637490 154196091 /nfs/dbraw/zinc/19/60/91/154196091.db2.gz FPMRRVFHCCCTRD-ZCFIWIBFSA-N -2 1 340.354 -0.051 20 0 EBADML C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@@H](OC)C[C@H]2C(=O)[O-])o1 ZINC000262089529 154212085 /nfs/dbraw/zinc/21/20/85/154212085.db2.gz CGDWMODHESVJIX-YUMQZZPRSA-N -2 1 332.334 -0.498 20 0 EBADML COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CCC(=O)[O-])C(=O)[O-])o1 ZINC000275012530 154633546 /nfs/dbraw/zinc/63/35/46/154633546.db2.gz CACSFUVFHGAVIL-LURJTMIESA-N -3 1 335.290 -0.338 20 0 EBADML CCNC(=O)NCCNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000294071772 155054947 /nfs/dbraw/zinc/05/49/47/155054947.db2.gz PJEDFGDTAWLGQH-UHFFFAOYSA-N -2 1 334.336 -0.207 20 0 EBADML Cc1cc(C(=O)N[C@H]2CCC(=O)NC2=O)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000533416019 418953238 /nfs/dbraw/zinc/95/32/38/418953238.db2.gz VOLJHGSUDYHTDI-LURJTMIESA-N -2 1 331.288 -0.721 20 0 EBADML CC(C)(C)n1nnc(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)n1 ZINC000656181559 420883000 /nfs/dbraw/zinc/88/30/00/420883000.db2.gz YZUWNEQPGOVFOZ-UHFFFAOYSA-N -2 1 340.365 0.000 20 0 EBADML C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccn(CC(=O)[O-])n2)o1 ZINC000362595934 421220250 /nfs/dbraw/zinc/22/02/50/421220250.db2.gz IHYIARGMACNUTB-UHFFFAOYSA-N -2 1 328.306 -0.279 20 0 EBADML COC(=O)c1oc(S(=O)(=O)[N-][C@@H](CCC(N)=O)C(=O)[O-])cc1C ZINC000596032396 545801663 /nfs/dbraw/zinc/80/16/63/545801663.db2.gz LOIDCRDGKGSUNP-ZETCQYMHSA-N -2 1 348.333 -0.628 20 0 EBADML Cc1cc(C(=O)NCCS(C)(=O)=O)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000741139735 583069712 /nfs/dbraw/zinc/06/97/12/583069712.db2.gz FBMXSOHTGLRSNT-UHFFFAOYSA-N -2 1 326.334 -0.481 20 0 EBADML O=C([O-])[C@H]1CC(C(=O)NN2CC(=O)[N-]C2=O)=NN1c1ccccc1 ZINC000819696264 583759520 /nfs/dbraw/zinc/75/95/20/583759520.db2.gz HBCZAQCOLGDRJN-SNVBAGLBSA-N -2 1 331.288 -0.711 20 0 EBADML C[N-]S(=O)(=O)c1ccc(C(=O)OCc2cn(CC(=O)[O-])nn2)o1 ZINC000820645339 583776745 /nfs/dbraw/zinc/77/67/45/583776745.db2.gz GCMKNWCLLJZVBE-UHFFFAOYSA-N -2 1 344.305 -0.779 20 0 EBADML COCCN(C)S(=O)(=O)[N-]C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821688958 583801807 /nfs/dbraw/zinc/80/18/07/583801807.db2.gz FKWBVWGQRCGXDC-UHFFFAOYSA-N -2 1 346.394 -0.519 20 0 EBADML COCCN(C)S(=O)(=O)[N-]C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821688958 583801809 /nfs/dbraw/zinc/80/18/09/583801809.db2.gz FKWBVWGQRCGXDC-UHFFFAOYSA-N -2 1 346.394 -0.519 20 0 EBADML Cn1cc(-c2nn[n-]n2)c([N-]S(=O)(=O)C[C@H]2CCCCO2)n1 ZINC000822619828 583814629 /nfs/dbraw/zinc/81/46/29/583814629.db2.gz HIWBHEOINQGEAX-MRVPVSSYSA-N -2 1 327.370 -0.089 20 0 EBADML Cn1cc(-c2nn[n-]n2)c([N-]S(=O)(=O)c2cccc3nonc32)n1 ZINC000822622976 583814746 /nfs/dbraw/zinc/81/47/46/583814746.db2.gz MXPLWXDRRLPVLH-UHFFFAOYSA-N -2 1 347.320 -0.063 20 0 EBADML O=C([N-]S(=O)(=O)CC(F)(F)F)c1ccc(-c2nnn[n-]2)nc1 ZINC000823284416 583827621 /nfs/dbraw/zinc/82/76/21/583827621.db2.gz GVUHTWKUEBMKRV-UHFFFAOYSA-N -2 1 336.255 -0.116 20 0 EBADML O=C([N-]S(=O)(=O)CC(F)(F)F)c1ccc(-c2nn[n-]n2)nc1 ZINC000823284416 583827622 /nfs/dbraw/zinc/82/76/22/583827622.db2.gz GVUHTWKUEBMKRV-UHFFFAOYSA-N -2 1 336.255 -0.116 20 0 EBADML C[C@@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)CCn2cc[n-]c(=O)c2=O)C1 ZINC000825210012 583856326 /nfs/dbraw/zinc/85/63/26/583856326.db2.gz HLBLXYYANNUIER-GHMZBOCLSA-N -2 1 338.364 -0.179 20 0 EBADML C[C@H]1CCCN(C(=O)CCn2cc[n-]c(=O)c2=O)[C@H]1CNC(=O)[O-] ZINC000825904314 583870451 /nfs/dbraw/zinc/87/04/51/583870451.db2.gz DYBHAMDTOGBZAI-QWRGUYRKSA-N -2 1 338.364 -0.179 20 0 EBADML COCCOCCS(=O)(=O)[N-]c1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826161143 583886367 /nfs/dbraw/zinc/88/63/67/583886367.db2.gz VLZMTLGIYOWPFB-UHFFFAOYSA-N -2 1 343.365 -0.023 20 0 EBADML CS(=O)(=O)c1n[n-]c(NC(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])n1 ZINC000829701232 583957428 /nfs/dbraw/zinc/95/74/28/583957428.db2.gz YSDJFRAFFKFXHQ-ZETCQYMHSA-N -2 1 347.353 -0.694 20 0 EBADML CS(=O)(=O)c1nnc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])[n-]1 ZINC000829701232 583957430 /nfs/dbraw/zinc/95/74/30/583957430.db2.gz YSDJFRAFFKFXHQ-ZETCQYMHSA-N -2 1 347.353 -0.694 20 0 EBADML CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(=O)OC)o1 ZINC000829881689 583959675 /nfs/dbraw/zinc/95/96/75/583959675.db2.gz UAEJNMWIAJYPOW-ZETCQYMHSA-N -2 1 349.317 -0.249 20 0 EBADML CCOC[C@@H](C(=O)[O-])N(C)C(=O)c1ccc(S(=O)(=O)[N-]C)o1 ZINC000829973237 583961101 /nfs/dbraw/zinc/96/11/01/583961101.db2.gz UVSJXCMWTRWXFY-QMMMGPOBSA-N -2 1 334.350 -0.251 20 0 EBADML O=C([O-])N1CCSC[C@H]1CC(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000831403552 583982452 /nfs/dbraw/zinc/98/24/52/583982452.db2.gz YIRYUDBRJIEXPD-BDAKNGLRSA-N -2 1 342.381 -0.415 20 0 EBADML COC[C@](C)(NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1)C(=O)[O-] ZINC000831613465 583988278 /nfs/dbraw/zinc/98/82/78/583988278.db2.gz WGRSAMBEKNVWKP-AWEZNQCLSA-N -3 1 336.304 -0.036 20 0 EBADML O=C([O-])N1CCC[C@@H](OCC(=O)N2CCO[C@H](c3nn[n-]n3)C2)C1 ZINC000831998765 583994290 /nfs/dbraw/zinc/99/42/90/583994290.db2.gz WBBGDDJNRAKJKS-ZJUUUORDSA-N -2 1 340.340 -0.741 20 0 EBADML Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)Cn1cc(C(=O)[O-])nn1 ZINC000833004715 584002914 /nfs/dbraw/zinc/00/29/14/584002914.db2.gz WCDQPQIXGTVYJP-UHFFFAOYSA-N -2 1 345.319 -0.342 20 0 EBADML O=C([O-])N1C[C@H](O)C[C@H]1C(=O)OCCC[N-]C(=O)C(F)(F)F ZINC000834284957 584030425 /nfs/dbraw/zinc/03/04/25/584030425.db2.gz KRPZYTYAIDNLQJ-RQJHMYQMSA-N -2 1 328.243 -0.289 20 0 EBADML CCON(C)C(=O)CNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000846506078 584127937 /nfs/dbraw/zinc/12/79/37/584127937.db2.gz VIVYKHIHRVIPEB-UHFFFAOYSA-N -2 1 335.320 -0.116 20 0 EBADML O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1CC(=O)NC1CC1 ZINC000852736871 584215359 /nfs/dbraw/zinc/21/53/59/584215359.db2.gz PBPUGYDDFCSSLN-SCZZXKLOSA-N -2 1 337.298 -0.139 20 0 EBADML O=S(=O)([N-]c1nc2ncccn2n1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738340539 598859410 /nfs/dbraw/zinc/85/94/10/598859410.db2.gz XTBDZDVHLGPATE-UHFFFAOYSA-N -2 1 344.320 -0.500 20 0 EBADML O=C([O-])COc1ccc(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)cc1 ZINC000739823565 600261369 /nfs/dbraw/zinc/26/13/69/600261369.db2.gz BCKCFSZZLLNRRS-LLVKDONJSA-N -2 1 333.304 -0.123 20 0 EBADML CSCC[C@H](NC(=O)[O-])C(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000740008975 602907993 /nfs/dbraw/zinc/90/79/93/602907993.db2.gz PUNXAVJQCNVMLD-YFKPBYRVSA-N -2 1 337.383 -0.464 20 0 EBADML CSCC[C@H](NC(=O)[O-])C(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000740008975 602907997 /nfs/dbraw/zinc/90/79/97/602907997.db2.gz PUNXAVJQCNVMLD-YFKPBYRVSA-N -2 1 337.383 -0.464 20 0 EBADML Cc1[nH]nc(C(=O)N2CC[C@@H]3[C@H](CCN3Cc3n[nH]c(=O)[n-]3)C2)c1[O-] ZINC001036691767 731264612 /nfs/dbraw/zinc/26/46/12/731264612.db2.gz VCSRKAHNGSUFNS-NXEZZACHSA-N -2 1 347.379 -0.016 20 0 EBADML O=C(N[C@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1)c1ncccc1[O-] ZINC001053784719 736014724 /nfs/dbraw/zinc/01/47/24/736014724.db2.gz VIBWGSVKMQLTIX-SECBINFHSA-N -2 1 346.347 -0.616 20 0 EBADML CC(=O)c1c(O)cc([O-])cc1OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001225675216 811823406 /nfs/dbraw/zinc/82/34/06/811823406.db2.gz SMNJJLXLPALMIM-MRVPVSSYSA-N -3 1 336.189 -0.324 20 0 EBADML CSc1nc(OC(=O)[C@H](O)COP(=O)([O-])[O-])cc(=O)[n-]1 ZINC001228095281 811961290 /nfs/dbraw/zinc/96/12/90/811961290.db2.gz QRAQHNXQEFDCRZ-SCSAIBSYSA-N -3 1 326.223 -0.720 20 0 EBADML CSc1nc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc(=O)[n-]1 ZINC001228095754 811961431 /nfs/dbraw/zinc/96/14/31/811961431.db2.gz XLJUVHJORMSEJI-SPGJFGJESA-N -3 1 332.290 -0.654 20 0 EBADML NC(=O)[C@@]12C[C@@H]1CCN2C(=O)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001269670411 814762651 /nfs/dbraw/zinc/76/26/51/814762651.db2.gz MNCVPAMGIPPWGT-WPPNPWJKSA-N -2 1 326.330 -0.271 20 0 EBADML NC(=O)C[C@@H]([N-]S(=O)(=O)c1cnc(Cl)cc1Cl)C(=O)[O-] ZINC001116664005 826631728 /nfs/dbraw/zinc/63/17/28/826631728.db2.gz WEFKBBHCBFQQEE-RXMQYKEDSA-N -2 1 342.160 -0.005 20 0 EBADML COc1ccc(S(=O)(=O)NCC[P@](=O)([O-])O)cc1C(=O)[O-] ZINC001185324120 833355646 /nfs/dbraw/zinc/35/56/46/833355646.db2.gz CNLTVPVJVQDKOG-UHFFFAOYSA-N -2 1 339.262 -0.151 20 0 EBADML O=C(c1cc(S(=O)(=O)[O-])ccc1[O-])N1CC[C@H](O)[C@H](CO)C1 ZINC001148916712 830554745 /nfs/dbraw/zinc/55/47/45/830554745.db2.gz CXFSJQHLKIMPQO-KWQFWETISA-N -2 1 331.346 -0.546 20 0 EBADML Cn1[n-]c(C(=O)NCC[N-]C(=O)C(F)(F)Br)cc1=O ZINC001194210698 835050043 /nfs/dbraw/zinc/05/00/43/835050043.db2.gz FOYYXYJMMUEEBM-UHFFFAOYSA-N -2 1 341.112 -0.041 20 0 EBADML C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@]2(C(=O)[O-])CCOC2)o1 ZINC001571200135 962356191 /nfs/dbraw/zinc/35/61/91/962356191.db2.gz GVOBWTCZTWMQSK-GFCCVEGCSA-N -2 1 332.334 -0.591 20 0 EBADML COC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@]1(C(=O)[O-])CCSC1 ZINC001571224544 962578403 /nfs/dbraw/zinc/57/84/03/962578403.db2.gz ZAOBFVYOAWQJNG-JTQLQIEISA-N -2 1 335.363 -0.565 20 0 EBADML Cc1nc2nc[n-]n2c(=O)c1CCOC(=O)CSCC(=O)[O-] ZINC001605065760 972688473 /nfs/dbraw/zinc/68/84/73/972688473.db2.gz GIXIQLFLVHXVOT-UHFFFAOYSA-N -2 1 326.334 -0.370 20 0 EBADML C[C@H]1SC[C@H](C(=O)NCCC(=O)[O-])N1C(=O)CCc1nn[n-]n1 ZINC001594656240 986903688 /nfs/dbraw/zinc/90/36/88/986903688.db2.gz KNISTOPFSGEIIY-HTQZYQBOSA-N -2 1 342.381 -0.987 20 0 EBADML C[N-]S(=O)(=O)c1cc(C(=O)N[C@]2(CC(=O)[O-])CCCOC2)co1 ZINC001598673205 994794766 /nfs/dbraw/zinc/79/47/66/994794766.db2.gz IYIQIZFOBCKDQB-ZDUSSCGKSA-N -2 1 346.361 -0.059 20 0 EBADML C[N-]S(=O)(=O)c1cc(C(=O)NC2(C(=O)[O-])CC(CO)C2)co1 ZINC001598673476 994800379 /nfs/dbraw/zinc/80/03/79/994800379.db2.gz PPKNYEGVVUEMQA-UHFFFAOYSA-N -2 1 332.334 -0.857 20 0 EBADML COC(=O)[C@H](CC(F)F)[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001598698271 995178696 /nfs/dbraw/zinc/17/86/96/995178696.db2.gz OFKLUPFXQBRINC-YFKPBYRVSA-N -2 1 327.265 -0.417 20 0 EBADML COC(=O)CC[C@@H]([N-]S(=O)(=O)c1c[nH]nc1Cl)C(=O)[O-] ZINC001598857365 996649210 /nfs/dbraw/zinc/64/92/10/996649210.db2.gz KQABWJPJQUEKIZ-RXMQYKEDSA-N -2 1 325.730 -0.252 20 0 EBADML COC(=O)[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1c[nH]nc1Cl ZINC001598894096 997047331 /nfs/dbraw/zinc/04/73/31/997047331.db2.gz WQOFEKPEIQJNOK-RXMQYKEDSA-N -2 1 325.730 -0.252 20 0 EBADML COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-][C@@](C)(CCF)C(=O)[O-] ZINC001598911662 997380744 /nfs/dbraw/zinc/38/07/44/997380744.db2.gz IULNNFVZYSAOCA-NSHDSACASA-N -2 1 337.329 -0.014 20 0 EBADML COc1cc2[n-]cc(C(=O)N[C@@H](CO)C(=O)[O-])c(=O)c2c(OC)c1 ZINC001599449293 998064581 /nfs/dbraw/zinc/06/45/81/998064581.db2.gz WEMSAYDSHZPQQS-JTQLQIEISA-N -2 1 336.300 -0.279 20 0 EBADML COC(=O)c1cc(S(=O)(=O)[N-][C@H](CC(F)(F)F)C(=O)[O-])n[nH]1 ZINC001598953374 998195785 /nfs/dbraw/zinc/19/57/85/998195785.db2.gz BBHAGPVIIAKYID-RXMQYKEDSA-N -2 1 345.255 -0.120 20 0 EBADML COC(=O)c1coc(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(=O)OC)c1 ZINC001599013451 998918861 /nfs/dbraw/zinc/91/88/61/998918861.db2.gz YMZHTXQSSKZWHG-SSDOTTSWSA-N -2 1 335.290 -0.639 20 0 EBADML CC(C)Cn1[n-]c(CC(=O)N2CCO[C@@H](c3nn[n-]n3)C2)cc1=O ZINC001362122047 1131519825 /nfs/dbraw/zinc/51/98/25/1131519825.db2.gz FZVYXUYRGJMEDJ-LLVKDONJSA-N -2 1 335.368 -0.512 20 0 EBADML Cc1cc(C(=O)N2C[C@@H](O)C[C@]2(C)CO)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC001363098112 1131783859 /nfs/dbraw/zinc/78/38/59/1131783859.db2.gz BWCUTJSJOOIKOJ-VXJOIVPMSA-N -2 1 334.332 -0.298 20 0 EBADML Cc1cc(C(=O)N2CC[C@@H](O)[C@H](CO)C2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC001363370279 1131918275 /nfs/dbraw/zinc/91/82/75/1131918275.db2.gz QCZZHMQODRUSRY-WCBMZHEXSA-N -2 1 334.332 -0.440 20 0 EBADML Cc1cc(C(=O)N2CCC[C@@H](CO)[C@H]2CO)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC001364919748 1132486442 /nfs/dbraw/zinc/48/64/42/1132486442.db2.gz RHSWFKXPWDQNPW-GXSJLCMTSA-N -2 1 348.359 -0.050 20 0 EBADML Cc1cc(C(=O)N2C[C@@H](CO)[C@H](CCO)C2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC001365157246 1132563263 /nfs/dbraw/zinc/56/32/63/1132563263.db2.gz DQUHQSIOISLLFY-ZJUUUORDSA-N -2 1 348.359 -0.193 20 0 EBADML CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H](CC(F)F)C(=O)[O-] ZINC000275335817 379751117 /nfs/dbraw/zinc/75/11/17/379751117.db2.gz UQZFQOVOIUHJNC-LURJTMIESA-N -2 1 341.292 -0.027 20 0 EBADML O=C([O-])CNC(=O)C[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000547869522 380166736 /nfs/dbraw/zinc/16/67/36/380166736.db2.gz LDQJHWSEBZWYEL-UHFFFAOYSA-N -2 1 341.139 -0.479 20 0 EBADML CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](CCC(N)=O)C(=O)[O-])o1 ZINC000548201605 380188147 /nfs/dbraw/zinc/18/81/47/380188147.db2.gz UFXFYXHTCMDOJC-SSDOTTSWSA-N -2 1 348.333 -0.547 20 0 EBADML Cn1cc(S(=O)(=O)[N-]CC2(C(=O)[O-])CCCC2)c(=O)n(C)c1=O ZINC000321794398 381740608 /nfs/dbraw/zinc/74/06/08/381740608.db2.gz VYMFJYXYZTXANU-UHFFFAOYSA-N -2 1 345.377 -0.993 20 0 EBADML CN(CC(=O)[O-])S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000261891484 154205125 /nfs/dbraw/zinc/20/51/25/154205125.db2.gz TYWRNQLMESIJQU-UHFFFAOYSA-N -2 1 340.354 -0.098 20 0 EBADML C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@H](OC)C[C@H]2C(=O)[O-])o1 ZINC000262089527 154212016 /nfs/dbraw/zinc/21/20/16/154212016.db2.gz CGDWMODHESVJIX-SFYZADRCSA-N -2 1 332.334 -0.498 20 0 EBADML COC(=O)[C@@H]1CN(C(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)CCO1 ZINC000345869826 156367028 /nfs/dbraw/zinc/36/70/28/156367028.db2.gz XEERWIJGBINFRD-VIFPVBQESA-N -2 1 348.315 -0.242 20 0 EBADML CCC[C@H](O)[C@H](CO)NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000414029503 419313676 /nfs/dbraw/zinc/31/36/76/419313676.db2.gz YTSKJUZAXZURJQ-UWVGGRQHSA-N -2 1 336.348 -0.004 20 0 EBADML Cc1cc(C(=O)NC[C@H](O)c2cnn(C)c2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000762529944 583247949 /nfs/dbraw/zinc/24/79/49/583247949.db2.gz UILQGSDASZSDRS-JTQLQIEISA-N -2 1 344.331 -0.059 20 0 EBADML Cc1cc(C(=O)N2CCOC[C@H]2CCO)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000769045576 583319833 /nfs/dbraw/zinc/31/98/33/583319833.db2.gz JJTHSULCWLHXGX-SECBINFHSA-N -2 1 334.332 -0.032 20 0 EBADML Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000800549961 583615654 /nfs/dbraw/zinc/61/56/54/583615654.db2.gz AJYNWJDAAAEHJP-UHFFFAOYSA-N -2 1 344.393 -0.190 20 0 EBADML CCS(=O)(=O)[N-]c1ccccc1C(=O)OCC(=O)NCC(=O)[O-] ZINC000820398260 583772556 /nfs/dbraw/zinc/77/25/56/583772556.db2.gz MNUSOMDEHYLXSN-UHFFFAOYSA-N -2 1 344.345 -0.194 20 0 EBADML Cn1cc(-c2nn[n-]n2)c([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)n1 ZINC000822623436 583814708 /nfs/dbraw/zinc/81/47/08/583814708.db2.gz XCHBYSKHCNYZJF-UHFFFAOYSA-N -3 1 338.309 -0.573 20 0 EBADML C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000826111074 583879350 /nfs/dbraw/zinc/87/93/50/583879350.db2.gz YLKDZCHUXZRUGZ-CIUDSAMLSA-N -2 1 340.340 -0.397 20 0 EBADML Cn1cnc(S(=O)(=O)[N-][C@@H](Cc2ncccn2)C(=O)[O-])c1Cl ZINC000844813387 584097507 /nfs/dbraw/zinc/09/75/07/584097507.db2.gz FYHVOSSSMVWUBH-ZETCQYMHSA-N -2 1 345.768 -0.162 20 0 EBADML CC(C)[C@@H](CNC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2)C(=O)[O-] ZINC000848600901 584158741 /nfs/dbraw/zinc/15/87/41/584158741.db2.gz LZWAEMNYADUARY-SECBINFHSA-N -2 1 333.348 -0.247 20 0 EBADML C[C@H](C(=O)[O-])C(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000851704086 584200725 /nfs/dbraw/zinc/20/07/25/584200725.db2.gz SGZIWWKCJYJCAG-RRKCRQDMSA-N -3 1 340.254 -0.170 20 0 EBADML CNC(=O)CC(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000851704053 584200866 /nfs/dbraw/zinc/20/08/66/584200866.db2.gz RUVVAAYZHAPITJ-IMTBSYHQSA-N -2 1 339.270 -0.755 20 0 EBADML CON(C)C(=O)[C@@H](C)NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000863704367 584375514 /nfs/dbraw/zinc/37/55/14/584375514.db2.gz BYBSWRNZMHRKRN-SSDOTTSWSA-N -2 1 335.320 -0.117 20 0 EBADML C[C@@H](NC(=O)[O-])C1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)CC1 ZINC000738997723 602460007 /nfs/dbraw/zinc/46/00/07/602460007.db2.gz KWUWCXZFHBGBAH-SNVBAGLBSA-N -2 1 338.364 -0.179 20 0 EBADML CS(=O)(=O)c1n[n-]c(NC(=O)c2csc(CNC(=O)[O-])n2)n1 ZINC000740003858 602720549 /nfs/dbraw/zinc/72/05/49/602720549.db2.gz BGVPQHGNQWCWBD-UHFFFAOYSA-N -2 1 346.350 -0.315 20 0 EBADML CS(=O)(=O)c1nnc(NC(=O)c2csc(CNC(=O)[O-])n2)[n-]1 ZINC000740003858 602720550 /nfs/dbraw/zinc/72/05/50/602720550.db2.gz BGVPQHGNQWCWBD-UHFFFAOYSA-N -2 1 346.350 -0.315 20 0 EBADML COc1cc(NC(=O)C(=O)NCc2nn[n-]n2)ccc1NC(=O)[O-] ZINC000739868669 602762999 /nfs/dbraw/zinc/76/29/99/602762999.db2.gz UUNUNQMBHMUVGR-UHFFFAOYSA-N -2 1 335.280 -0.447 20 0 EBADML CCCN(C(=O)CCn1cc[n-]c(=O)c1=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739342249 602787681 /nfs/dbraw/zinc/78/76/81/602787681.db2.gz DKVYMAFEYNWHJF-LLVKDONJSA-N -2 1 338.364 -0.082 20 0 EBADML COC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H](C[C@@H]1CCOC1)C(=O)[O-] ZINC000912558471 650208802 /nfs/dbraw/zinc/20/88/02/650208802.db2.gz NLKOOIBBMWPENU-CBAPKCEASA-N -2 1 347.349 -0.646 20 0 EBADML Cc1n[nH]c(C(=O)N[C@@]2(C)CCN(Cc3nc(=O)n(C)[n-]3)C2)c1[O-] ZINC001046246613 733894129 /nfs/dbraw/zinc/89/41/29/733894129.db2.gz KXPZOYFRTOJYFU-AWEZNQCLSA-N -2 1 335.368 -0.760 20 0 EBADML O=C([O-])C[C@H](C(=O)OCCCC[P@](=O)([O-])O)[C@@H](O)C(=O)[O-] ZINC001225018698 811787728 /nfs/dbraw/zinc/78/77/28/811787728.db2.gz FTAYTEYNSCQZKK-POYBYMJQSA-N -3 1 328.210 -0.976 20 0 EBADML COc1cnc(=S)[n-]c1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001226247197 811855626 /nfs/dbraw/zinc/85/56/26/811855626.db2.gz UUUMIULETCBKCC-CLZZGJSISA-N -3 1 332.290 -0.784 20 0 EBADML CCc1cnc(=S)[n-]c1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001227064968 811902350 /nfs/dbraw/zinc/90/23/50/811902350.db2.gz XRTOTOZKAXSWFG-XPUUQOCRSA-N -3 1 330.318 -0.231 20 0 EBADML O=C([O-])C[C@@H](C(=O)Oc1[nH]c(=S)nc2nc[n-]c21)[C@@H](O)C(=O)[O-] ZINC001227615758 811931204 /nfs/dbraw/zinc/93/12/04/811931204.db2.gz FFQKRDYJMLNKJW-AWFVSMACSA-N -3 1 342.289 -0.917 20 0 EBADML O=C(c1cc(S(=O)(=O)[O-])ccc1[O-])N1CC[C@H](CO)[C@H](O)C1 ZINC001148917823 830555886 /nfs/dbraw/zinc/55/58/86/830555886.db2.gz ZCSZKAZCQWLBGA-PRHODGIISA-N -2 1 331.346 -0.546 20 0 EBADML COc1cnc(C(C)(C)NC(=O)CCn2cc[nH]c(=O)c2=O)[n-]c1=O ZINC001156558392 831481676 /nfs/dbraw/zinc/48/16/76/831481676.db2.gz CLTIFZVGIZDEGU-UHFFFAOYSA-N -2 1 349.347 -0.518 20 0 EBADML N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1cccc(F)c1[O-] ZINC001210195616 837252283 /nfs/dbraw/zinc/25/22/83/837252283.db2.gz LXJLLARORGNECX-UHFFFAOYSA-N -2 1 331.285 -0.458 20 0 EBADML CSc1nc(=O)[n-]c(C)c1C(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC000396707452 951484500 /nfs/dbraw/zinc/48/45/00/951484500.db2.gz XQLCYYJMKCKXER-UHFFFAOYSA-N -2 1 340.361 -0.418 20 0 EBADML O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)[C@H]1C[C@@H](O)C1 ZINC001594888799 954494282 /nfs/dbraw/zinc/49/42/82/954494282.db2.gz ILUWZWVCTUCOJO-UYXSQOIJSA-N -2 1 338.282 -0.120 20 0 EBADML O=C([O-])CC[C@@H]1CC[C@H](C(=O)N2CCOC[C@@H]2c2nn[n-]n2)O1 ZINC001571167322 962005922 /nfs/dbraw/zinc/00/59/22/962005922.db2.gz CIWJVSGLIZCKDA-IVZWLZJFSA-N -2 1 325.325 -0.488 20 0 EBADML COC[C@]1(C(=O)[O-])CN(C(=O)N=c2ccnc3n(C)[n-]cc2-3)CCO1 ZINC001574140570 962570250 /nfs/dbraw/zinc/57/02/50/962570250.db2.gz HFEMOZLUTITZAB-HNNXBMFYSA-N -2 1 349.347 -0.324 20 0 EBADML Cn1[n-]cc2c(=NC(=O)c3cccn(CC(=O)[O-])c3=O)ccnc1-2 ZINC001605467201 973572525 /nfs/dbraw/zinc/57/25/25/973572525.db2.gz UNHFKMLRFBTFHV-UHFFFAOYSA-N -2 1 327.300 -0.160 20 0 EBADML CC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O)C(=O)[O-] ZINC001594954051 982683835 /nfs/dbraw/zinc/68/38/35/982683835.db2.gz YFQGYMJGIUQHGY-SFYZADRCSA-N -2 1 333.366 -0.346 20 0 EBADML Cc1[nH]c(C(=O)N2CCC(O)(c3nn[n-]n3)CC2)c(C)c1C(=O)[O-] ZINC001599950407 985598917 /nfs/dbraw/zinc/59/89/17/985598917.db2.gz IWYMLHZNBFYJFS-UHFFFAOYSA-N -2 1 334.336 -0.033 20 0 EBADML C[N-]S(=O)(=O)c1ccc(C(=O)O[C@H](CC(=O)[O-])C(=O)OC)o1 ZINC001598672757 994785692 /nfs/dbraw/zinc/78/56/92/994785692.db2.gz CZPIPELQCLHKOU-SSDOTTSWSA-N -2 1 335.290 -0.639 20 0 EBADML C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)co1 ZINC001598673288 994795432 /nfs/dbraw/zinc/79/54/32/994795432.db2.gz LBTOTQKJMANBJZ-APPZFPTMSA-N -2 1 332.334 -0.498 20 0 EBADML C[N-]S(=O)(=O)c1cc(C(=O)NC2(CC(=O)[O-])CCOCC2)co1 ZINC001598673443 994798285 /nfs/dbraw/zinc/79/82/85/994798285.db2.gz NQEYGMJTOBOQEJ-UHFFFAOYSA-N -2 1 346.361 -0.059 20 0 EBADML COC1(CS(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)CCOCC1 ZINC001599093618 997237332 /nfs/dbraw/zinc/23/73/32/997237332.db2.gz BKEUMHHXIBWTCK-UHFFFAOYSA-N -2 1 333.366 -0.095 20 0 EBADML COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001599328841 997711055 /nfs/dbraw/zinc/71/10/55/997711055.db2.gz LMKAAADQNHMQGT-JKYUHCHBSA-N -2 1 339.304 -0.540 20 0 EBADML COC[C@H](CO)NC(=O)c1ccc(-n2[n-]c(CC(=O)[O-])cc2=O)cc1 ZINC001599165167 998529174 /nfs/dbraw/zinc/52/91/74/998529174.db2.gz TYYYFWSAURJIHL-LBPRGKRZSA-N -2 1 349.343 -0.470 20 0 EBADML COC[C@@H](NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O)C(=O)[O-] ZINC001599169000 998584616 /nfs/dbraw/zinc/58/46/16/998584616.db2.gz NUDVDGLCTMWOGB-GFCCVEGCSA-N -2 1 346.343 -0.101 20 0 EBADML Cn1[nH]cnc1=NC([O-])=C([O-])[C@@](O)(c1ccccc1)C(F)(F)F ZINC001412731632 1129604639 /nfs/dbraw/zinc/60/46/39/1129604639.db2.gz UTWVGUSAIKXZNA-SKDRFNHKSA-N -2 1 330.266 -0.014 20 0 EBADML Cn1[n-]nnc1=NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC001361489700 1131413457 /nfs/dbraw/zinc/41/34/57/1131413457.db2.gz SRYMFIKHGRPJPB-UHFFFAOYSA-N -2 1 328.354 -0.446 20 0 EBADML O=C([O-])c1ccc(F)c(S(=O)(=O)NCC[P@@](=O)([O-])O)c1 ZINC001260218180 1130542876 /nfs/dbraw/zinc/54/28/76/1130542876.db2.gz WTKVLRFXTUBPEG-UHFFFAOYSA-N -2 1 327.226 -0.020 20 0 EBADML O=C(CNC(=O)c1ncccc1[O-])N1CCC[C@H](c2nnn[n-]2)C1 ZINC001362690961 1131642695 /nfs/dbraw/zinc/64/26/95/1131642695.db2.gz ZLCZUGUETJYQEA-VIFPVBQESA-N -2 1 331.336 -0.564 20 0 EBADML COC(=O)c1oc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(=O)[O-])cc1C ZINC000596034808 378050958 /nfs/dbraw/zinc/05/09/58/378050958.db2.gz MCPDQXNYBRLGJF-ZETCQYMHSA-N -3 1 349.317 -0.172 20 0 EBADML Cn1cnc(S(=O)(=O)[N-]CCn2cc(C(=O)[O-])nn2)c1Cl ZINC000277280032 379880670 /nfs/dbraw/zinc/88/06/70/379880670.db2.gz JZCIWUPDJTVYTK-UHFFFAOYSA-N -2 1 334.745 -0.658 20 0 EBADML COC(=O)c1coc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cnn(C)c2)c1 ZINC000547554768 380143316 /nfs/dbraw/zinc/14/33/16/380143316.db2.gz RURCWRPTRPLFPL-JTQLQIEISA-N -2 1 343.317 -0.096 20 0 EBADML Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NC[C@@](C)(O)C(=O)[O-] ZINC000564968208 380390194 /nfs/dbraw/zinc/39/01/94/380390194.db2.gz ZOKMKRHHTDDOTF-OAHLLOKOSA-N -2 1 336.348 -0.064 20 0 EBADML C[N-]S(=O)(=O)c1ccc(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)o1 ZINC000262406036 154230223 /nfs/dbraw/zinc/23/02/23/154230223.db2.gz BDDFAKULNCEESJ-QMMMGPOBSA-N -2 1 332.334 -0.497 20 0 EBADML Cn1cc(S(=O)(=O)[N-]CCc2nc(=O)o[n-]2)c(C(F)(F)F)n1 ZINC000293063133 155043234 /nfs/dbraw/zinc/04/32/34/155043234.db2.gz LFQUKMVWUWEZPO-UHFFFAOYSA-N -2 1 341.271 -0.364 20 0 EBADML CCN(C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1)[C@@H]1CC(=O)NC1=O ZINC000531056194 419045946 /nfs/dbraw/zinc/04/59/46/419045946.db2.gz AMJFKZRSZNBQNJ-MRVPVSSYSA-N -2 1 345.315 -0.378 20 0 EBADML Cc1o[n-]c(=N)c1S(=O)(=O)N[C@@H](Cc1ccncc1)C(=O)[O-] ZINC000653496192 419781710 /nfs/dbraw/zinc/78/17/10/419781710.db2.gz IGYZYVCERBGTJY-VIFPVBQESA-N -2 1 326.334 -0.235 20 0 EBADML Cc1onc(N)c1S(=O)(=O)[N-][C@@H](Cc1ccncc1)C(=O)[O-] ZINC000653496192 419781716 /nfs/dbraw/zinc/78/17/16/419781716.db2.gz IGYZYVCERBGTJY-VIFPVBQESA-N -2 1 326.334 -0.235 20 0 EBADML COC(=O)C[C@H]([N-]S(=O)(=O)c1cc(C)c(C(=O)OC)o1)C(=O)[O-] ZINC000596031905 545801609 /nfs/dbraw/zinc/80/16/09/545801609.db2.gz HSVALTDLHDUYRX-ZETCQYMHSA-N -2 1 349.317 -0.331 20 0 EBADML COc1ccc([C@H](NC(=O)CCn2cc[n-]c(=O)c2=O)C(=O)[O-])cc1 ZINC000737960057 582608192 /nfs/dbraw/zinc/60/81/92/582608192.db2.gz TXXBINGZDWWQLS-ZDUSSCGKSA-N -2 1 347.327 -0.123 20 0 EBADML CCOCCS(=O)(=O)[N-]C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736624696 582948150 /nfs/dbraw/zinc/94/81/50/582948150.db2.gz DODNSTQOTPZWRG-UHFFFAOYSA-N -2 1 326.338 -0.642 20 0 EBADML CCOCCS(=O)(=O)[N-]C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736624696 582948151 /nfs/dbraw/zinc/94/81/51/582948151.db2.gz DODNSTQOTPZWRG-UHFFFAOYSA-N -2 1 326.338 -0.642 20 0 EBADML CC[C@](C)(NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)C(=O)[O-] ZINC000736861719 582964261 /nfs/dbraw/zinc/96/42/61/582964261.db2.gz ULQRAHCYOHXLDG-LBPRGKRZSA-N -2 1 347.349 -0.974 20 0 EBADML Cc1noc(C)c1S(=O)(=O)[N-]C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737535211 583013285 /nfs/dbraw/zinc/01/32/85/583013285.db2.gz QROZBBVHZCKAPY-UHFFFAOYSA-N -2 1 349.332 -0.015 20 0 EBADML Cc1noc(C)c1S(=O)(=O)[N-]C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737535211 583013287 /nfs/dbraw/zinc/01/32/87/583013287.db2.gz QROZBBVHZCKAPY-UHFFFAOYSA-N -2 1 349.332 -0.015 20 0 EBADML Cn1[n-]c(COC(=O)c2ccc(F)cc2[N-]S(C)(=O)=O)nc1=O ZINC000765447846 583282873 /nfs/dbraw/zinc/28/28/73/583282873.db2.gz PTSZZIXXKPHMAS-UHFFFAOYSA-N -2 1 344.324 -0.024 20 0 EBADML Cc1cc(C(=O)N2CCOC[C@@H]2CCO)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000769045582 583319886 /nfs/dbraw/zinc/31/98/86/583319886.db2.gz JJTHSULCWLHXGX-VIFPVBQESA-N -2 1 334.332 -0.032 20 0 EBADML C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000826111077 583879160 /nfs/dbraw/zinc/87/91/60/583879160.db2.gz YLKDZCHUXZRUGZ-YIZRAAEISA-N -2 1 340.340 -0.397 20 0 EBADML O=C([N-]S(=O)(=O)[C@H]1CCCOC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826449974 583902631 /nfs/dbraw/zinc/90/26/31/583902631.db2.gz RIFBHMZRMPKCOU-VIFPVBQESA-N -2 1 338.349 -0.500 20 0 EBADML O=C([N-]S(=O)(=O)[C@H]1CCCOC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826449974 583902633 /nfs/dbraw/zinc/90/26/33/583902633.db2.gz RIFBHMZRMPKCOU-VIFPVBQESA-N -2 1 338.349 -0.500 20 0 EBADML O=S(=O)([N-]c1n[nH]cc1-c1nn[n-]n1)c1cn2c(n1)CCCC2 ZINC000826492658 583906015 /nfs/dbraw/zinc/90/60/15/583906015.db2.gz WXICKGAJRFIFPN-UHFFFAOYSA-N -2 1 335.353 -0.077 20 0 EBADML CS(=O)(=O)c1n[n-]c(NC(=O)CO[C@H]2CCCN(C(=O)[O-])C2)n1 ZINC000829701077 583957462 /nfs/dbraw/zinc/95/74/62/583957462.db2.gz XUXXKCGZQGEPTE-ZETCQYMHSA-N -2 1 347.353 -0.694 20 0 EBADML CS(=O)(=O)c1nnc(NC(=O)CO[C@H]2CCCN(C(=O)[O-])C2)[n-]1 ZINC000829701077 583957463 /nfs/dbraw/zinc/95/74/63/583957463.db2.gz XUXXKCGZQGEPTE-ZETCQYMHSA-N -2 1 347.353 -0.694 20 0 EBADML O=C([O-])N1CC[C@H](N(C(=O)CCn2cc[n-]c(=O)c2=O)C2CC2)C1 ZINC000831922147 583993517 /nfs/dbraw/zinc/99/35/17/583993517.db2.gz LSPVAZOKFGUUCV-NSHDSACASA-N -2 1 336.348 -0.330 20 0 EBADML C[C@@H]1CCN(C(=O)C(=O)N=c2ccnc3n(C)[n-]cc2-3)C[C@H]1C(=O)[O-] ZINC000843046083 584070166 /nfs/dbraw/zinc/07/01/66/584070166.db2.gz MWXKSUOIOPUVLB-MWLCHTKSSA-N -2 1 345.359 -0.151 20 0 EBADML CN(C)C(=O)CN1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000852737844 584215217 /nfs/dbraw/zinc/21/52/17/584215217.db2.gz VTENBWHBLNFJRK-IONNQARKSA-N -2 1 325.287 -0.329 20 0 EBADML Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NCCC(=O)[O-] ZINC000740224359 597110882 /nfs/dbraw/zinc/11/08/82/597110882.db2.gz ZDNWOJMGKNMMJF-UHFFFAOYSA-N -2 1 338.364 -0.149 20 0 EBADML O=C([O-])N[C@H](Cc1ccccc1)C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000740538793 602500781 /nfs/dbraw/zinc/50/07/81/602500781.db2.gz YXQUMEDVBCHLJM-VXGBXAGGSA-N -2 1 346.347 -0.022 20 0 EBADML CSCC[C@H](NC(=O)[O-])C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000740010392 602501322 /nfs/dbraw/zinc/50/13/22/602501322.db2.gz BZUSCZXTLNDRDO-YUMQZZPRSA-N -2 1 330.370 -0.511 20 0 EBADML COC(=O)c1c[nH]nc1S(=O)(=O)[N-]C[C@H](CC1CC1)C(=O)[O-] ZINC000912559303 650209171 /nfs/dbraw/zinc/20/91/71/650209171.db2.gz YJCJOUSMYYAKLB-QMMMGPOBSA-N -2 1 331.350 -0.025 20 0 EBADML O=C([O-])N(CC(=O)N1CCO[C@@H](c2nn[n-]n2)C1)C[C@@H]1CCCO1 ZINC000740491534 719420405 /nfs/dbraw/zinc/42/04/05/719420405.db2.gz LZUXLSRYFQWAMY-VHSXEESVSA-N -2 1 340.340 -0.741 20 0 EBADML O=C([O-])C[C@H](C(=O)Oc1[nH]c(=O)nc2ccccc21)[C@@H](O)C(=O)[O-] ZINC001226980317 811894862 /nfs/dbraw/zinc/89/48/62/811894862.db2.gz IBGYRLYFWPYAIL-OIBJUYFYSA-N -2 1 336.256 -0.223 20 0 EBADML COC(=O)c1nc(C(C)C)[n-]c(=O)c1OC(=O)[C@H](O)CC(=O)[O-] ZINC001234561114 812438901 /nfs/dbraw/zinc/43/89/01/812438901.db2.gz QOHDCVIHUQMPTN-ZCFIWIBFSA-N -2 1 328.277 -0.167 20 0 EBADML C[C@]1(CNC(=O)c2ncccc2[O-])CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001107890030 824020985 /nfs/dbraw/zinc/02/09/85/824020985.db2.gz ICBMNCIMYZQFFI-HNNXBMFYSA-N -2 1 348.363 -0.368 20 0 EBADML Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NCc1nc(=O)o[n-]1 ZINC001116416925 826618240 /nfs/dbraw/zinc/61/82/40/826618240.db2.gz GSUHINSHAHFTFX-UHFFFAOYSA-N -2 1 332.320 -0.023 20 0 EBADML NC(=O)c1[nH]ncc1NC(=O)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001148915679 830555256 /nfs/dbraw/zinc/55/52/56/830555256.db2.gz YBBFBTPZGUKLLJ-UHFFFAOYSA-N -2 1 326.290 -0.287 20 0 EBADML O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CCNC(=O)c1ccncc1[O-] ZINC001188637585 834069469 /nfs/dbraw/zinc/06/94/69/834069469.db2.gz DJHUDEXAQJQCJD-NSHDSACASA-N -2 1 347.331 -0.558 20 0 EBADML O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)CCNC(=O)c1ccncc1[O-] ZINC001188637585 834069487 /nfs/dbraw/zinc/06/94/87/834069487.db2.gz DJHUDEXAQJQCJD-NSHDSACASA-N -2 1 347.331 -0.558 20 0 EBADML CCOC(=O)c1nc(CNC(=O)[C@H]2CO[C@@H](CCC(=O)[O-])C2)n[n-]1 ZINC001591279527 951119874 /nfs/dbraw/zinc/11/98/74/951119874.db2.gz PLGUYIXLMYLLAO-BDAKNGLRSA-N -2 1 340.336 -0.133 20 0 EBADML CCOC(=O)c1n[n-]c(CNC(=O)[C@H]2CO[C@@H](CCC(=O)[O-])C2)n1 ZINC001591279527 951119876 /nfs/dbraw/zinc/11/98/76/951119876.db2.gz PLGUYIXLMYLLAO-BDAKNGLRSA-N -2 1 340.336 -0.133 20 0 EBADML O=C([O-])C(=O)N1CCN(C(=O)c2ccc3n[n-]c(=S)n3c2)CC1 ZINC001594828133 953952428 /nfs/dbraw/zinc/95/24/28/953952428.db2.gz AEFKPNAKJOJYQY-UHFFFAOYSA-N -2 1 335.345 -0.613 20 0 EBADML C[C@@]1([N-]C(=O)C(F)(F)F)CCN([C@@H]2CCN(CC(=O)[O-])C2=O)C1 ZINC001589246816 956935867 /nfs/dbraw/zinc/93/58/67/956935867.db2.gz YCBUYLUPURUPKM-PRHODGIISA-N -2 1 337.298 -0.185 20 0 EBADML C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@](COC)(C(=O)[O-])C2)co1 ZINC001574037392 962052082 /nfs/dbraw/zinc/05/20/82/962052082.db2.gz VCNHZMNCHBVRPJ-CYBMUJFWSA-N -2 1 346.361 -0.249 20 0 EBADML C[N-]S(=O)(=O)c1ccc(C(=O)NCC2(C(=O)[O-])CCOCC2)o1 ZINC001574037446 962054949 /nfs/dbraw/zinc/05/49/49/962054949.db2.gz WXQZJCHORRTJMW-UHFFFAOYSA-N -2 1 346.361 -0.201 20 0 EBADML CNC(=O)[C@@H](O)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1 ZINC001571174344 962085441 /nfs/dbraw/zinc/08/54/41/962085441.db2.gz RPPXQPKOOOVDCY-YFKPBYRVSA-N -2 1 326.714 -0.984 20 0 EBADML O=C([O-])CNC(=O)CNC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001571208413 962428664 /nfs/dbraw/zinc/42/86/64/962428664.db2.gz PEFYQKSHKOLTFZ-UHFFFAOYSA-N -2 1 333.304 -0.100 20 0 EBADML CCOC(=O)c1nc(CNC(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)n[n-]1 ZINC001596749178 985084372 /nfs/dbraw/zinc/08/43/72/985084372.db2.gz PWIWOLULGOYKAU-DTWKUNHWSA-N -2 1 340.336 -0.133 20 0 EBADML CCOC(=O)c1n[n-]c(CNC(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)n1 ZINC001596749178 985084384 /nfs/dbraw/zinc/08/43/84/985084384.db2.gz PWIWOLULGOYKAU-DTWKUNHWSA-N -2 1 340.336 -0.133 20 0 EBADML CCOC(=O)c1nc(CNC(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)n[n-]1 ZINC001596749693 985091941 /nfs/dbraw/zinc/09/19/41/985091941.db2.gz ZBYPCLHAWONZDM-ZXFLCMHBSA-N -2 1 326.309 -0.524 20 0 EBADML CCOC(=O)c1n[n-]c(CNC(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)n1 ZINC001596749693 985091953 /nfs/dbraw/zinc/09/19/53/985091953.db2.gz ZBYPCLHAWONZDM-ZXFLCMHBSA-N -2 1 326.309 -0.524 20 0 EBADML CC(=O)N[C@@H](C[S@@](=O)CCC[N-]C(=O)C(F)(F)F)C(=O)[O-] ZINC001589156387 985483255 /nfs/dbraw/zinc/48/32/55/985483255.db2.gz RXKYGWJFDXLSOD-SGWXMTNESA-N -2 1 332.300 -0.607 20 0 EBADML Cc1nc2nc[n-]n2c(=O)c1CCOC(=O)Cn1cc(C(=O)[O-])cn1 ZINC001599967243 985929698 /nfs/dbraw/zinc/92/96/98/985929698.db2.gz ZTWSQBZANVSIBE-UHFFFAOYSA-N -2 1 346.303 -0.593 20 0 EBADML CO[C@H]1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)[C@H](C(=O)[O-])C1 ZINC001599118239 997692264 /nfs/dbraw/zinc/69/22/64/997692264.db2.gz AGKRDZMXLRNTJV-UWVGGRQHSA-N -2 1 325.321 -0.983 20 0 EBADML COc1ccc(CNC(=O)CCn2cc[n-]c(=O)c2=O)cc1C(=O)[O-] ZINC001599565048 998270499 /nfs/dbraw/zinc/27/04/99/998270499.db2.gz CPGXWJZXZYDLCB-UHFFFAOYSA-N -2 1 347.327 -0.050 20 0 EBADML Cc1cc(C(=O)N2CCO[C@@H]([C@H](C)O)C2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC001362551257 1131608732 /nfs/dbraw/zinc/60/87/32/1131608732.db2.gz ZTCUGYZPJLMSHV-WCBMZHEXSA-N -2 1 334.332 -0.034 20 0 EBADML COC(=O)c1cc(F)cc(S(=O)(=O)[N-]Cc2nc(=O)o[n-]2)c1F ZINC001364858754 1132456796 /nfs/dbraw/zinc/45/67/96/1132456796.db2.gz USWHXMJPWQANAI-UHFFFAOYSA-N -2 1 349.271 -0.094 20 0 EBADML Cn1cnc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(=O)[O-])c1Cl ZINC000274919163 379722678 /nfs/dbraw/zinc/72/26/78/379722678.db2.gz AROHNRMXYPVUJG-YFKPBYRVSA-N -3 1 325.730 -0.473 20 0 EBADML CCn1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H]2CCOC2)c([N+](=O)[O-])n1 ZINC000547557359 380143712 /nfs/dbraw/zinc/14/37/12/380143712.db2.gz MPOHOVHSTSROQH-IONNQARKSA-N -2 1 348.337 -0.421 20 0 EBADML Cc1cc(C(=O)NCC(=O)NCC(F)F)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000362154371 380374315 /nfs/dbraw/zinc/37/43/15/380374315.db2.gz ZVPYSYBLMXFKNV-UHFFFAOYSA-N -2 1 341.274 -0.144 20 0 EBADML Cc1cc(C(=O)NCC(=O)N2CCOCC2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000346746281 381108474 /nfs/dbraw/zinc/10/84/74/381108474.db2.gz PDBTZVIOUCQGHF-UHFFFAOYSA-N -2 1 347.331 -0.667 20 0 EBADML CCC[C@H](NC(=O)c1cc(S(N)(=O)=O)ccc1[O-])c1nn[n-]n1 ZINC000612062349 381776866 /nfs/dbraw/zinc/77/68/66/381776866.db2.gz VNFYAGGWCHDYRX-VIFPVBQESA-N -2 1 340.365 -0.176 20 0 EBADML COC(=O)[C@H]1CN(C(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)CCO1 ZINC000345869817 156366877 /nfs/dbraw/zinc/36/68/77/156366877.db2.gz XEERWIJGBINFRD-SECBINFHSA-N -2 1 348.315 -0.242 20 0 EBADML Cc1onc(N)c1S(=O)(=O)[N-][C@@H](CC(=O)OC(C)(C)C)C(=O)[O-] ZINC000571288924 420660729 /nfs/dbraw/zinc/66/07/29/420660729.db2.gz KAQTYWYZHLTEKZ-ZETCQYMHSA-N -2 1 349.365 0.029 20 0 EBADML Cn1cc(S(=O)(=O)[N-][C@@H]2CCO[C@@H]2C(=O)[O-])c(C(F)(F)F)n1 ZINC000656716854 420900159 /nfs/dbraw/zinc/90/01/59/420900159.db2.gz JTRNJQNCNUSHFJ-VDTYLAMSSA-N -2 1 343.283 -0.041 20 0 EBADML Cc1cc(C(=O)N[C@@]2(C(=O)[O-])CCOC2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000663132012 421125717 /nfs/dbraw/zinc/12/57/17/421125717.db2.gz UQSNCLWDLRTTOZ-AWEZNQCLSA-N -3 1 334.288 -0.282 20 0 EBADML O=C([N-]S(=O)(=O)c1ccccn1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738139770 583042992 /nfs/dbraw/zinc/04/29/92/583042992.db2.gz PNHPGRXJOMMMOP-UHFFFAOYSA-N -2 1 331.317 -0.225 20 0 EBADML O=C([N-]S(=O)(=O)c1ccccn1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738139770 583042994 /nfs/dbraw/zinc/04/29/94/583042994.db2.gz PNHPGRXJOMMMOP-UHFFFAOYSA-N -2 1 331.317 -0.225 20 0 EBADML O=C([N-]S(=O)(=O)[C@H]1CCOC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823284489 583827705 /nfs/dbraw/zinc/82/77/05/583827705.db2.gz IEYFHOHCFLAKHT-LURJTMIESA-N -2 1 329.363 -0.223 20 0 EBADML O=C([N-]S(=O)(=O)[C@H]1CCOC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823284489 583827707 /nfs/dbraw/zinc/82/77/07/583827707.db2.gz IEYFHOHCFLAKHT-LURJTMIESA-N -2 1 329.363 -0.223 20 0 EBADML COCCOCCS(=O)(=O)[N-]c1nn(C)cc1-c1nn[n-]n1 ZINC000826160652 583886292 /nfs/dbraw/zinc/88/62/92/583886292.db2.gz ACPVPZQONNJDCI-UHFFFAOYSA-N -2 1 331.358 -0.995 20 0 EBADML Cc1ccc(S(=O)(=O)[N-]c2n[nH]cc2-c2nn[n-]n2)cc1C(N)=O ZINC000826292855 583890518 /nfs/dbraw/zinc/89/05/18/583890518.db2.gz ORGIKBNNVWOEBF-UHFFFAOYSA-N -2 1 348.348 -0.202 20 0 EBADML CCN(Cc1ccccc1NC(=O)C(=O)NCc1nn[n-]n1)C(=O)[O-] ZINC000827182247 583915979 /nfs/dbraw/zinc/91/59/79/583915979.db2.gz IGUPMHLSZKWPRZ-UHFFFAOYSA-N -2 1 347.335 -0.046 20 0 EBADML CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(=O)OC)o1 ZINC000829881688 583959604 /nfs/dbraw/zinc/95/96/04/583959604.db2.gz UAEJNMWIAJYPOW-SSDOTTSWSA-N -2 1 349.317 -0.249 20 0 EBADML O=C(COC(=O)[C@@H]1CN(C(=O)[O-])CCO1)[N-]C(=O)c1ccccc1 ZINC000831499155 583983890 /nfs/dbraw/zinc/98/38/90/583983890.db2.gz QAOXBUSGGOKUHE-NSHDSACASA-N -2 1 336.300 -0.135 20 0 EBADML COC[C@](C)([N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1)C(=O)OC ZINC000831628076 583988772 /nfs/dbraw/zinc/98/87/72/583988772.db2.gz XYFVCWIGOJTQIS-LBPRGKRZSA-N -2 1 338.382 -0.805 20 0 EBADML O=C([O-])N1CC[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc[n-]c(=O)c1=O ZINC000834093610 584026095 /nfs/dbraw/zinc/02/60/95/584026095.db2.gz IQOPUFPSSWPDKW-MNOVXSKESA-N -2 1 336.348 -0.330 20 0 EBADML O=C([O-])NCCOc1ccc(NC(=O)C(=O)NCc2nn[n-]n2)cc1 ZINC000834244707 584029994 /nfs/dbraw/zinc/02/99/94/584029994.db2.gz NSQAGIPVRRCZID-UHFFFAOYSA-N -2 1 349.307 -0.899 20 0 EBADML C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@H](CNC(=O)[O-])C2)o1 ZINC000739753753 601877319 /nfs/dbraw/zinc/87/73/19/601877319.db2.gz WQPFYPWUAUVQJK-MRVPVSSYSA-N -2 1 331.350 -0.083 20 0 EBADML Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)COCCNC(=O)[O-] ZINC000740234360 603121049 /nfs/dbraw/zinc/12/10/49/603121049.db2.gz RDMWKXLHQGMJQK-UHFFFAOYSA-N -2 1 337.336 -0.048 20 0 EBADML COCCCNC(=O)[N-][N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000049152828 649949044 /nfs/dbraw/zinc/94/90/44/649949044.db2.gz SVGUAACDYPLMIQ-UHFFFAOYSA-N -2 1 325.778 -0.398 20 0 EBADML NC(=O)C[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(=O)[O-] ZINC000317221730 649994862 /nfs/dbraw/zinc/99/48/62/649994862.db2.gz FUZPPQMZYOJPBU-LURJTMIESA-N -2 1 335.269 -0.659 20 0 EBADML Cc1[nH]nc(C(=O)N2CC[C@@H](CN(C)Cc3n[nH]c(=O)[n-]3)C2)c1[O-] ZINC001029707549 730485324 /nfs/dbraw/zinc/48/53/24/730485324.db2.gz BBEUZBWWJOXTDR-VIFPVBQESA-N -2 1 335.368 -0.158 20 0 EBADML O=C([O-])C[C@@H](C(=O)OCCCC[P@](=O)([O-])O)[C@H](O)C(=O)[O-] ZINC001225018699 811787649 /nfs/dbraw/zinc/78/76/49/811787649.db2.gz FTAYTEYNSCQZKK-SVRRBLITSA-N -3 1 328.210 -0.976 20 0 EBADML CSc1nc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc(=O)[n-]1 ZINC001228095753 811961587 /nfs/dbraw/zinc/96/15/87/811961587.db2.gz XLJUVHJORMSEJI-RNHFCUEFSA-N -3 1 332.290 -0.654 20 0 EBADML CS(=O)(=O)CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[O-])cc1 ZINC001260591678 812839956 /nfs/dbraw/zinc/83/99/56/812839956.db2.gz GLAIZMRFWJYKFV-UHFFFAOYSA-N -2 1 329.377 -0.323 20 0 EBADML NC(=O)C12CC(NC(=O)c3cc(S(=O)(=O)[O-])ccc3[O-])(C1)C2 ZINC001269671962 814762457 /nfs/dbraw/zinc/76/24/57/814762457.db2.gz XHBMHSDIPFHBBD-UHFFFAOYSA-N -2 1 326.330 -0.223 20 0 EBADML Cc1ncc(CO)c(C(=O)NC(=N)SCCS(=O)(=O)[O-])c1[O-] ZINC001147843711 830420205 /nfs/dbraw/zinc/42/02/05/830420205.db2.gz DZKZHJRAZSBLKB-UHFFFAOYSA-N -2 1 349.390 -0.127 20 0 EBADML C[C@]1(CO)CN(C(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])CC[C@H]1O ZINC001148917174 830556026 /nfs/dbraw/zinc/55/60/26/830556026.db2.gz NJGPJVXCPZCSDV-TZMCWYRMSA-N -2 1 345.373 -0.156 20 0 EBADML CN1CCO[C@@H](CNC(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])C1 ZINC001148926550 830556311 /nfs/dbraw/zinc/55/63/11/830556311.db2.gz OYUFKDPWAUWWDD-VIFPVBQESA-N -2 1 330.362 -0.301 20 0 EBADML CCOC(=O)c1nc(CNC(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)n[n-]1 ZINC001591279529 951119093 /nfs/dbraw/zinc/11/90/93/951119093.db2.gz PLGUYIXLMYLLAO-IUCAKERBSA-N -2 1 340.336 -0.133 20 0 EBADML CCOC(=O)c1n[n-]c(CNC(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)n1 ZINC001591279529 951119103 /nfs/dbraw/zinc/11/91/03/951119103.db2.gz PLGUYIXLMYLLAO-IUCAKERBSA-N -2 1 340.336 -0.133 20 0 EBADML O=C([O-])CC[C@@H]1CC[C@H](C(=O)N2CCOC[C@H]2c2nn[n-]n2)O1 ZINC001571167323 962004404 /nfs/dbraw/zinc/00/44/04/962004404.db2.gz CIWJVSGLIZCKDA-LPEHRKFASA-N -2 1 325.325 -0.488 20 0 EBADML O=C([O-])[C@@]1([N-]S(=O)(=O)c2c[nH]nc2C(F)(F)F)CCOC1 ZINC001574640657 962348469 /nfs/dbraw/zinc/34/84/69/962348469.db2.gz WRFYQDUPHXZPOZ-MRVPVSSYSA-N -2 1 329.256 -0.050 20 0 EBADML COC[C@]1(C(=O)[O-])CN(C(=O)c2c(C)[nH]c(=O)[n-]c2=S)CCO1 ZINC001604558457 973606894 /nfs/dbraw/zinc/60/68/94/973606894.db2.gz WMBPNWWTPLRTQH-ZDUSSCGKSA-N -2 1 343.361 -0.278 20 0 EBADML CN(C)C1(CS(=O)(=O)[N-]C(=O)c2cc(C(=O)[O-])no2)CCC1 ZINC001598183927 990749664 /nfs/dbraw/zinc/74/96/64/990749664.db2.gz BZTNAZXZFLBPRE-UHFFFAOYSA-N -2 1 331.350 -0.083 20 0 EBADML CS(C)(=O)=NS(=O)(=O)[N-][C@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001599781499 992370036 /nfs/dbraw/zinc/37/00/36/992370036.db2.gz PZBDRSMEDYVYSB-ZETCQYMHSA-N -2 1 336.395 -0.022 20 0 EBADML C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](CC2OCCO2)C(=O)[O-])o1 ZINC001598674383 994816203 /nfs/dbraw/zinc/81/62/03/994816203.db2.gz GFUIROMBTRNZDX-ZETCQYMHSA-N -2 1 348.333 -0.866 20 0 EBADML COC(=O)[C@@H](Cc1cncs1)[N-]S(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC001598704894 995273636 /nfs/dbraw/zinc/27/36/36/995273636.db2.gz PVFPKHFDHPRXFQ-VXNVDRBHSA-N -2 1 336.391 -0.133 20 0 EBADML COC[C@@H]([N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F)C(=O)[O-] ZINC001599178429 996899096 /nfs/dbraw/zinc/89/90/96/996899096.db2.gz QHSRILVKTCQUTJ-RXMQYKEDSA-N -2 1 331.272 -0.183 20 0 EBADML CO[C@@H]1CN(C(=O)CNC(=O)c2ncccc2[O-])[C@@](C)(C(=O)[O-])C1 ZINC001599132888 997982562 /nfs/dbraw/zinc/98/25/62/997982562.db2.gz GOCCSVPYLYEKDM-BJOHPYRUSA-N -2 1 337.332 -0.392 20 0 EBADML C[S@](=O)(=NS(=O)(=O)[N-]Cc1nc(=O)o[n-]1)c1ccccc1 ZINC001413365979 1130052175 /nfs/dbraw/zinc/05/21/75/1130052175.db2.gz MEXRQKPWEPAHDW-HXUWFJFHSA-N -2 1 332.363 -0.146 20 0 EBADML CC(C)(C)[S@](C)(=O)=NS(=O)(=O)[N-]CCc1nc(=O)o[n-]1 ZINC001413350970 1130038336 /nfs/dbraw/zinc/03/83/36/1130038336.db2.gz PWYHOKQFGGNXKX-IBGZPJMESA-N -2 1 326.400 -0.364 20 0 EBADML Cc1cc(C(=O)N2C[C@@H](CO)[C@H](CO)C2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC001363125999 1131793839 /nfs/dbraw/zinc/79/38/39/1131793839.db2.gz QPUXPMDLLAZFQJ-IUCAKERBSA-N -2 1 334.332 -0.583 20 0 EBADML CSc1nc(CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)cc(=O)[n-]1 ZINC001363137581 1131798537 /nfs/dbraw/zinc/79/85/37/1131798537.db2.gz DDOCCYOWDYSNFL-UHFFFAOYSA-N -2 1 347.360 -0.395 20 0 EBADML Cc1cc(C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000268421668 379300989 /nfs/dbraw/zinc/30/09/89/379300989.db2.gz XKFYPBSZTLMIJW-IONNQARKSA-N -2 1 347.331 -0.493 20 0 EBADML COCCN1CN(C(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)CC1=O ZINC000282573332 380083687 /nfs/dbraw/zinc/08/36/87/380083687.db2.gz ZVODJRRJZQPRPS-UHFFFAOYSA-N -2 1 347.331 -0.367 20 0 EBADML COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccnn2C)o1 ZINC000580887813 381043100 /nfs/dbraw/zinc/04/31/00/381043100.db2.gz BOMGJWMWIHFLIQ-JTQLQIEISA-N -2 1 343.317 -0.096 20 0 EBADML Cc1cc(C(=O)N[C@]2(C(N)=O)CCOC2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000584730695 381205908 /nfs/dbraw/zinc/20/59/08/381205908.db2.gz UAZGADFRIRBAGY-CQSZACIVSA-N -2 1 333.304 -0.881 20 0 EBADML CCOC(=O)c1ccc(S(=O)(=O)[N-]CCC(=O)NCC(=O)[O-])o1 ZINC000571849564 381623053 /nfs/dbraw/zinc/62/30/53/381623053.db2.gz BYICLVRCFXAPBD-UHFFFAOYSA-N -2 1 348.333 -0.675 20 0 EBADML C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@@H](OC)C[C@@H]2C(=O)[O-])o1 ZINC000262089524 154212056 /nfs/dbraw/zinc/21/20/56/154212056.db2.gz CGDWMODHESVJIX-JGVFFNPUSA-N -2 1 332.334 -0.498 20 0 EBADML C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@@H](C)O[C@@H](C(=O)[O-])C2)o1 ZINC000262206489 154218561 /nfs/dbraw/zinc/21/85/61/154218561.db2.gz KIVIOGTYQUNXCH-VXNVDRBHSA-N -2 1 332.334 -0.498 20 0 EBADML CCS(=O)(=O)CCNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000266189153 154339223 /nfs/dbraw/zinc/33/92/23/154339223.db2.gz WJUQIDWFNSOOAO-UHFFFAOYSA-N -2 1 340.361 -0.091 20 0 EBADML Cn1cnc(S(=O)(=O)[N-][C@@H](CCC(=O)[O-])C(=O)[O-])c1Cl ZINC000298278208 155106533 /nfs/dbraw/zinc/10/65/33/155106533.db2.gz BAGBRGUZXOGKCC-YFKPBYRVSA-N -3 1 325.730 -0.330 20 0 EBADML C[N-]S(=O)(=O)c1ccc(C(=O)N=c2nc(COC)[n-]s2)o1 ZINC000345736874 156360459 /nfs/dbraw/zinc/36/04/59/156360459.db2.gz KCRGXOJNSSRFMQ-UHFFFAOYSA-N -2 1 332.363 -0.140 20 0 EBADML CCOC(=O)c1ccc(S(=O)(=O)[N-]CCc2nc(=O)o[n-]2)o1 ZINC000352909494 156811576 /nfs/dbraw/zinc/81/15/76/156811576.db2.gz JKCGKTMVQVCUEB-UHFFFAOYSA-N -2 1 331.306 -0.346 20 0 EBADML COc1cncc(C(=O)[N-]c2nnc([N-]S(C)(=O)=O)s2)n1 ZINC000359136244 157298309 /nfs/dbraw/zinc/29/83/09/157298309.db2.gz DVJCFLYREGMOCL-UHFFFAOYSA-N -2 1 330.351 -0.040 20 0 EBADML CCC[C@@H](O)[C@H](CO)NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000414029504 419313934 /nfs/dbraw/zinc/31/39/34/419313934.db2.gz YTSKJUZAXZURJQ-VHSXEESVSA-N -2 1 336.348 -0.004 20 0 EBADML Cc1cc(C(=O)NCCNc2cnccn2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000344120660 421221201 /nfs/dbraw/zinc/22/12/01/421221201.db2.gz BPGSRYDSQKZSPA-UHFFFAOYSA-N -2 1 341.331 0.376 20 0 EBADML CNS(=O)(=O)CCNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000440169978 265279588 /nfs/dbraw/zinc/27/95/88/265279588.db2.gz LOMPAAOABQMWQI-UHFFFAOYSA-N -2 1 341.349 -0.977 20 0 EBADML COCCN(CC(=O)[O-])C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000676208154 546198592 /nfs/dbraw/zinc/19/85/92/546198592.db2.gz LFVIBTHEXUXLGJ-UHFFFAOYSA-N -3 1 336.304 -0.082 20 0 EBADML COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736969195 582978376 /nfs/dbraw/zinc/97/83/76/582978376.db2.gz KQBDVTDRIIIGFM-SSDOTTSWSA-N -2 1 326.338 -0.644 20 0 EBADML COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736969195 582978377 /nfs/dbraw/zinc/97/83/77/582978377.db2.gz KQBDVTDRIIIGFM-SSDOTTSWSA-N -2 1 326.338 -0.644 20 0 EBADML COC[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736969199 582978570 /nfs/dbraw/zinc/97/85/70/582978570.db2.gz KQBDVTDRIIIGFM-ZETCQYMHSA-N -2 1 326.338 -0.644 20 0 EBADML COC[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736969199 582978572 /nfs/dbraw/zinc/97/85/72/582978572.db2.gz KQBDVTDRIIIGFM-ZETCQYMHSA-N -2 1 326.338 -0.644 20 0 EBADML Cc1n[nH]c(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)c1C ZINC000738249199 583045514 /nfs/dbraw/zinc/04/55/14/583045514.db2.gz QGTXISUZSAOFKL-UHFFFAOYSA-N -2 1 330.366 -0.202 20 0 EBADML O=C(Cn1[n-]cc2c(=O)ncnc1-2)OCCC[N-]C(=O)C(F)(F)F ZINC000774942095 583393075 /nfs/dbraw/zinc/39/30/75/583393075.db2.gz LFTZSRKISXHAFT-UHFFFAOYSA-N -2 1 347.253 -0.317 20 0 EBADML Cn1cnc(S(=O)(=O)[N-]C[C@@](C)(CC(=O)[O-])C(=O)[O-])c1Cl ZINC000776585410 583406730 /nfs/dbraw/zinc/40/67/30/583406730.db2.gz RPUOQWNAQSKADT-SNVBAGLBSA-N -3 1 339.757 -0.083 20 0 EBADML Cn1cc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nnn[n-]3)s2)cn1 ZINC000822685326 583816342 /nfs/dbraw/zinc/81/63/42/583816342.db2.gz XJCHRQFENNXGGJ-UHFFFAOYSA-N -2 1 339.362 -0.220 20 0 EBADML Cn1cc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nn[n-]n3)s2)cn1 ZINC000822685326 583816345 /nfs/dbraw/zinc/81/63/45/583816345.db2.gz XJCHRQFENNXGGJ-UHFFFAOYSA-N -2 1 339.362 -0.220 20 0 EBADML O=C([O-])C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000826461249 583902712 /nfs/dbraw/zinc/90/27/12/583902712.db2.gz MRYHCWHMYIQMBU-UHFFFAOYSA-N -2 1 338.349 -0.253 20 0 EBADML O=C([O-])C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000826461249 583902713 /nfs/dbraw/zinc/90/27/13/583902713.db2.gz MRYHCWHMYIQMBU-UHFFFAOYSA-N -2 1 338.349 -0.253 20 0 EBADML C[C@@H](CC(N)=O)NC(=O)c1ccc(-n2[n-]c(CC(=O)[O-])cc2=O)cc1 ZINC000827398391 583920564 /nfs/dbraw/zinc/92/05/64/583920564.db2.gz YQIHTGXRZIYYGU-VIFPVBQESA-N -2 1 346.343 -0.214 20 0 EBADML CS(=O)(=O)c1n[n-]c(NC(=O)[C@@H]2CCC[C@H](NC(=O)[O-])C2)n1 ZINC000829699604 583957215 /nfs/dbraw/zinc/95/72/15/583957215.db2.gz MHYUPHXOSGUPNT-RQJHMYQMSA-N -2 1 331.354 -0.027 20 0 EBADML O=C([O-])CN(C(=O)CCn1cc[n-]c(=O)c1=O)C1CCOCC1 ZINC000833245246 584007603 /nfs/dbraw/zinc/00/76/03/584007603.db2.gz VRLCQVAPOHUGTE-UHFFFAOYSA-N -2 1 325.321 -0.981 20 0 EBADML CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NC[C@H](O)C(=O)[O-])o1 ZINC000833431152 584010386 /nfs/dbraw/zinc/01/03/86/584010386.db2.gz NIWODWUGHDHNLG-ZETCQYMHSA-N -2 1 334.350 -0.468 20 0 EBADML NS(=O)(=O)[C@H]1CCN(C(=O)c2ccc(NC(=O)[O-])cc2[O-])C1 ZINC000833986854 584023112 /nfs/dbraw/zinc/02/31/12/584023112.db2.gz UUNQWEKWJBPYML-QMMMGPOBSA-N -2 1 329.334 -0.015 20 0 EBADML CCNC(=O)CN1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000852733810 584214879 /nfs/dbraw/zinc/21/48/79/584214879.db2.gz ZNTWBSTZFXMPAY-CBAPKCEASA-N -2 1 325.287 -0.281 20 0 EBADML CCNC(=O)CN1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000852733812 584214994 /nfs/dbraw/zinc/21/49/94/584214994.db2.gz ZNTWBSTZFXMPAY-VXNVDRBHSA-N -2 1 325.287 -0.281 20 0 EBADML O=C([O-])C[C@H]1CSCCN1C(=O)CCn1cc[n-]c(=O)c1=O ZINC000739647462 600699023 /nfs/dbraw/zinc/69/90/23/600699023.db2.gz DBVCHLDTTORUJH-VIFPVBQESA-N -2 1 327.362 -0.655 20 0 EBADML CN(C[C@@H]1CCCN(C(=O)CCn2cc[n-]c(=O)c2=O)C1)C(=O)[O-] ZINC000739643515 602163521 /nfs/dbraw/zinc/16/35/21/602163521.db2.gz RTCXGLKTRXTDJP-NSHDSACASA-N -2 1 338.364 -0.225 20 0 EBADML CO[N-]C(=O)C[N-]S(=O)(=O)c1ccc(Br)nc1F ZINC000921687145 650324117 /nfs/dbraw/zinc/32/41/17/650324117.db2.gz BGCAXDPCIHQNSY-UHFFFAOYSA-N -2 1 342.146 -0.061 20 0 EBADML Cc1n[nH]c(C(=O)N[C@H]2CN(Cc3nc(=O)n(C)[n-]3)CC[C@@H]2C)c1[O-] ZINC000965915435 724539565 /nfs/dbraw/zinc/53/95/65/724539565.db2.gz BPZZSGPRDAJGGA-WPRPVWTQSA-N -2 1 349.395 -0.514 20 0 EBADML Cc1n[nH]c(C(=O)N[C@H]2CCCCN(Cc3nc(=O)n(C)[n-]3)C2)c1[O-] ZINC001034169173 731107137 /nfs/dbraw/zinc/10/71/37/731107137.db2.gz JXTKCAXQKVTPQM-JTQLQIEISA-N -2 1 349.395 -0.370 20 0 EBADML Cc1nc(=O)[nH]c(OC(=O)[C@H](O)COP(=O)([O-])[O-])c1Cl ZINC001227111327 811904078 /nfs/dbraw/zinc/90/40/78/811904078.db2.gz HBEKZHKTGDEVAY-SCSAIBSYSA-N -2 1 328.601 -0.480 20 0 EBADML CCOC(=O)Cc1cnc(=S)[n-]c1OC(=O)[C@H](O)CC(=O)[O-] ZINC001228712632 811995662 /nfs/dbraw/zinc/99/56/62/811995662.db2.gz BQIAKMAGAOQQTJ-SSDOTTSWSA-N -2 1 330.318 -0.388 20 0 EBADML Cc1n[nH]c(C(=O)N[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)[C@@H]2C)c1[O-] ZINC001088525657 816696522 /nfs/dbraw/zinc/69/65/22/816696522.db2.gz ICMSWIYXUYVWNF-BDAKNGLRSA-N -2 1 335.368 -0.762 20 0 EBADML O=C(c1cc(S(=O)(=O)[O-])ccc1[O-])N1CC[C@@H](CO)[C@H](O)C1 ZINC001148917824 830555490 /nfs/dbraw/zinc/55/54/90/830555490.db2.gz ZCSZKAZCQWLBGA-QPUJVOFHSA-N -2 1 331.346 -0.546 20 0 EBADML O=C(N[C@@H]1SC(=O)[N-]C1=O)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001148926116 830556731 /nfs/dbraw/zinc/55/67/31/830556731.db2.gz DLAJNDRZRLDAIV-SECBINFHSA-N -3 1 332.315 -0.322 20 0 EBADML O=C([O-])CCC(=O)CNC(=O)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001148932848 830558484 /nfs/dbraw/zinc/55/84/84/830558484.db2.gz BLSUUEITDRPPMU-UHFFFAOYSA-N -3 1 331.302 -0.197 20 0 EBADML Cc1n[nH]c(C(=O)NCCC2(CNCc3n[nH]c(=O)[n-]3)CC2)c1[O-] ZINC001164102153 832171485 /nfs/dbraw/zinc/17/14/85/832171485.db2.gz FCOBMBZYWXEDJY-UHFFFAOYSA-N -2 1 335.368 -0.063 20 0 EBADML CNS(=O)(=O)c1ccc([O-])c(NC(=O)Cn2nn[n-]c2=S)c1 ZINC001177741057 832800790 /nfs/dbraw/zinc/80/07/90/832800790.db2.gz QWSXJGWLVKSFLP-UHFFFAOYSA-N -2 1 344.378 -0.786 20 0 EBADML Nc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1ccccc1S(=O)(=O)[O-] ZINC001189667711 834177053 /nfs/dbraw/zinc/17/70/53/834177053.db2.gz NUEHPSKORKFTLT-UHFFFAOYSA-N -2 1 326.290 -0.031 20 0 EBADML CN1CCN(c2cncc(C(=O)NCCOP(=O)([O-])[O-])c2)CC1 ZINC001193951296 834986166 /nfs/dbraw/zinc/98/61/66/834986166.db2.gz GXPXBOUDSQIEJP-UHFFFAOYSA-N -2 1 344.308 -0.328 20 0 EBADML COc1ncc(NC(=O)CSc2n[nH]c(=O)[n-]2)cc1-c1nn[n-]n1 ZINC001570950541 949689196 /nfs/dbraw/zinc/68/91/96/949689196.db2.gz LCMOQLADZHYESR-UHFFFAOYSA-N -2 1 349.336 -0.175 20 0 EBADML CCOC(=O)c1nc(CNC(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)n[n-]1 ZINC001591279528 951119035 /nfs/dbraw/zinc/11/90/35/951119035.db2.gz PLGUYIXLMYLLAO-DTWKUNHWSA-N -2 1 340.336 -0.133 20 0 EBADML CCOC(=O)c1n[n-]c(CNC(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)n1 ZINC001591279528 951119044 /nfs/dbraw/zinc/11/90/44/951119044.db2.gz PLGUYIXLMYLLAO-DTWKUNHWSA-N -2 1 340.336 -0.133 20 0 EBADML O=C([O-])CS(=O)(=O)CCN1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC001595123482 951986478 /nfs/dbraw/zinc/98/64/78/951986478.db2.gz DQHMBVNAVFMTPZ-UHFFFAOYSA-N -2 1 332.300 -0.904 20 0 EBADML O=C([O-])[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001594895718 954563278 /nfs/dbraw/zinc/56/32/78/954563278.db2.gz HFPXSLQNIQJRLH-CAHLUQPWSA-N -2 1 337.258 -0.394 20 0 EBADML CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@](C)(OC)C(=O)[O-])c1 ZINC001593801346 954851420 /nfs/dbraw/zinc/85/14/20/954851420.db2.gz NYADCMYXVOQFBS-LBPRGKRZSA-N -2 1 332.334 -0.272 20 0 EBADML CC(C)CN(Cc1nn[n-]n1)C(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001573523349 959135451 /nfs/dbraw/zinc/13/54/51/959135451.db2.gz YEJLALYVTQRIGB-SNVBAGLBSA-N -2 1 338.368 -0.493 20 0 EBADML CCOC(=O)c1c[n-]c(NC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)n1 ZINC001573905758 961453868 /nfs/dbraw/zinc/45/38/68/961453868.db2.gz OEPASKRBSROIKD-MRVPVSSYSA-N -2 1 338.320 -0.152 20 0 EBADML O=C([O-])[C@@H]1OCC[C@@H]1[N-]S(=O)(=O)c1c[nH]nc1C(F)(F)F ZINC001571181609 962164560 /nfs/dbraw/zinc/16/45/60/962164560.db2.gz MWDXBEMVGQTOFZ-UJURSFKZSA-N -2 1 329.256 -0.051 20 0 EBADML COC(=O)c1cc(S(=O)(=O)N[C@@]2(C(=O)[O-])CCSC2)[n-]n1 ZINC001571223756 962565739 /nfs/dbraw/zinc/56/57/39/962565739.db2.gz LLTDHVSEAQEXOC-JTQLQIEISA-N -2 1 335.363 -0.565 20 0 EBADML COC(=O)c1cc(S(=O)(=O)N[C@@]2(C(=O)[O-])CCSC2)n[n-]1 ZINC001571223756 962565754 /nfs/dbraw/zinc/56/57/54/962565754.db2.gz LLTDHVSEAQEXOC-JTQLQIEISA-N -2 1 335.363 -0.565 20 0 EBADML COC(=O)C1CC2(C1)CN(C(=O)CCc1nn[n-]n1)C[C@H]2C(=O)[O-] ZINC001604280091 972854717 /nfs/dbraw/zinc/85/47/17/972854717.db2.gz KOSNYCLJKXAIJN-PUUHTONNSA-N -2 1 337.336 -0.755 20 0 EBADML CC[C@](COC)([N-]S(=O)(=O)c1n[nH]cc1C(=O)OC)C(=O)[O-] ZINC001595199544 979942124 /nfs/dbraw/zinc/94/21/24/979942124.db2.gz JQNGCWHUQWFOQQ-LLVKDONJSA-N -2 1 335.338 -0.646 20 0 EBADML CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]C[C@]1(C(=O)[O-])CCOC1 ZINC001596736387 985025972 /nfs/dbraw/zinc/02/59/72/985025972.db2.gz WARHBFSAYGKSDF-GFCCVEGCSA-N -2 1 347.349 -0.644 20 0 EBADML Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N[C@H](CC1OCCO1)C(=O)[O-] ZINC001599941180 985456701 /nfs/dbraw/zinc/45/67/01/985456701.db2.gz BESSYGIZKKEOMC-ZCFIWIBFSA-N -2 1 329.334 -0.275 20 0 EBADML C[C@@H]1SC[C@H](C(=O)NCCC(=O)[O-])N1C(=O)CCc1nn[n-]n1 ZINC001594656241 986903898 /nfs/dbraw/zinc/90/38/98/986903898.db2.gz KNISTOPFSGEIIY-JGVFFNPUSA-N -2 1 342.381 -0.987 20 0 EBADML CSc1ncc(C(=O)N2CC(=O)N(C)C[C@@H]2C(=O)[O-])c(=O)[n-]1 ZINC001599828602 988635399 /nfs/dbraw/zinc/63/53/99/988635399.db2.gz WHWXIRAGGKGIOH-SSDOTTSWSA-N -2 1 326.334 -0.729 20 0 EBADML CN(C)[S@](C)(=O)=NS(=O)(=O)[N-]Cc1cc(C(=O)[O-])co1 ZINC001598283330 991173685 /nfs/dbraw/zinc/17/36/85/991173685.db2.gz IRUVHSYWLJCODN-LJQANCHMSA-N -2 1 325.368 -0.113 20 0 EBADML CS(C)(=O)=NS(=O)(=O)[N-][C@@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001599781498 992369843 /nfs/dbraw/zinc/36/98/43/992369843.db2.gz PZBDRSMEDYVYSB-SSDOTTSWSA-N -2 1 336.395 -0.022 20 0 EBADML COC(=O)c1oc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(=O)[O-])cc1C ZINC000596034807 378050851 /nfs/dbraw/zinc/05/08/51/378050851.db2.gz MCPDQXNYBRLGJF-SSDOTTSWSA-N -3 1 349.317 -0.172 20 0 EBADML Cn1cc(C[C@H]([N-]S(=O)(=O)c2ncn(C)c2Cl)C(=O)[O-])cn1 ZINC000275282003 379748053 /nfs/dbraw/zinc/74/80/53/379748053.db2.gz OHGJLDWBTQTGAY-QMMMGPOBSA-N -2 1 347.784 -0.219 20 0 EBADML COC(=O)CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)co1)C(=O)[O-] ZINC000275300186 379749631 /nfs/dbraw/zinc/74/96/31/379749631.db2.gz QIRSJJLKAGSEPZ-MRVPVSSYSA-N -2 1 349.317 -0.249 20 0 EBADML C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@@H](OC)C[C@@]2(C)C(=O)[O-])o1 ZINC000630310747 380036285 /nfs/dbraw/zinc/03/62/85/380036285.db2.gz KGVCTABKWQCOSI-SDBXPKJASA-N -2 1 346.361 -0.108 20 0 EBADML CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(=O)[O-])o1 ZINC000548212119 380190878 /nfs/dbraw/zinc/19/08/78/380190878.db2.gz ILHNUDAMTJXZCM-SSDOTTSWSA-N -3 1 349.317 -0.090 20 0 EBADML CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])OC ZINC000577691281 380836592 /nfs/dbraw/zinc/83/65/92/380836592.db2.gz NNZUGTWJLWDNLH-SSDOTTSWSA-N -2 1 335.338 -0.646 20 0 EBADML O=C([O-])CNC(=O)C[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000035085395 381151547 /nfs/dbraw/zinc/15/15/47/381151547.db2.gz QGYFCHZBMVUVFV-UHFFFAOYSA-N -2 1 326.252 -0.417 20 0 EBADML Cn1cc(S(=O)(=O)[N-]C2CCC(C(=O)[O-])CC2)c(=O)n(C)c1=O ZINC000261815561 154201941 /nfs/dbraw/zinc/20/19/41/154201941.db2.gz WCAJGFUOFLHFBO-UHFFFAOYSA-N -2 1 345.377 -0.994 20 0 EBADML CCC[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)C(=O)[O-] ZINC000262238265 154220114 /nfs/dbraw/zinc/22/01/14/154220114.db2.gz AXYLPMFVMXINRJ-SSDOTTSWSA-N -2 1 347.349 -0.974 20 0 EBADML O=C(Nc1nnn[n-]1)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000295850642 155072197 /nfs/dbraw/zinc/07/21/97/155072197.db2.gz NUUSEGHMFDRQKS-UHFFFAOYSA-N -2 1 338.349 -0.058 20 0 EBADML O=C(Nc1nn[n-]n1)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000295850642 155072202 /nfs/dbraw/zinc/07/22/02/155072202.db2.gz NUUSEGHMFDRQKS-UHFFFAOYSA-N -2 1 338.349 -0.058 20 0 EBADML CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000365269740 419247610 /nfs/dbraw/zinc/24/76/10/419247610.db2.gz WTUSBCVULOXWAI-ZCFIWIBFSA-N -2 1 336.274 -0.443 20 0 EBADML CC(C)[C@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000399579137 419199999 /nfs/dbraw/zinc/19/99/99/419199999.db2.gz LBZLLVZIBPLETQ-SCZZXKLOSA-N -2 1 347.393 -0.892 20 0 EBADML Cc1cc(C(=O)NC[C@H](O)[C@H]2CCOC2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000531635332 419271452 /nfs/dbraw/zinc/27/14/52/419271452.db2.gz VEYJSDGHLOOPQG-WPRPVWTQSA-N -2 1 334.332 -0.128 20 0 EBADML Cn1ccnc1-c1cc(NC(=O)CNC(=O)c2ncccc2O)[nH]n1 ZINC000344352555 421184965 /nfs/dbraw/zinc/18/49/65/421184965.db2.gz ZJZUXALBHSMEMC-UHFFFAOYSA-N -2 1 341.331 0.279 20 0 EBADML CC(C)n1c([S-])nnc1CCNC(=O)c1cnc([O-])n(C)c1=O ZINC000267623656 280752945 /nfs/dbraw/zinc/75/29/45/280752945.db2.gz VKXCERKHGDJVCN-UHFFFAOYSA-N -2 1 338.393 -0.081 20 0 EBADML COC(=O)c1oc(S(=O)(=O)[N-][C@@H](CCC(=O)[O-])C(=O)[O-])cc1C ZINC000596033425 545801624 /nfs/dbraw/zinc/80/16/24/545801624.db2.gz VJHKLDNKLUXYOP-ZETCQYMHSA-N -3 1 349.317 -0.029 20 0 EBADML COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(=O)OC)o1 ZINC000737699451 582635441 /nfs/dbraw/zinc/63/54/41/582635441.db2.gz CDXKPXLDWCPVKE-LURJTMIESA-N -2 1 335.290 -0.639 20 0 EBADML CCn1cc(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)nc1C ZINC000825805118 583867151 /nfs/dbraw/zinc/86/71/51/583867151.db2.gz SMLXXNQHEHJGAH-UHFFFAOYSA-N -2 1 337.369 -0.074 20 0 EBADML CCn1cc(S(=O)(=O)[N-]c2nn(C)cc2-c2nn[n-]n2)nc1C ZINC000825805118 583867153 /nfs/dbraw/zinc/86/71/53/583867153.db2.gz SMLXXNQHEHJGAH-UHFFFAOYSA-N -2 1 337.369 -0.074 20 0 EBADML CC(C)(C(=O)[O-])c1ccc(NC(=O)C(=O)NCc2nn[n-]n2)cc1 ZINC000826112885 583879185 /nfs/dbraw/zinc/87/91/85/583879185.db2.gz ACVILHMXDVMRPI-UHFFFAOYSA-N -2 1 332.320 -0.183 20 0 EBADML O=C(COC(=O)[C@@H]1COCCN1C(=O)[O-])[N-]C(=O)c1ccccc1 ZINC000831497332 583983840 /nfs/dbraw/zinc/98/38/40/583983840.db2.gz CAFXAWONYMKBDU-NSHDSACASA-N -2 1 336.300 -0.135 20 0 EBADML O=C([O-])N1CCO[C@H](C(=O)N[C@H](c2nn[n-]n2)c2ccccc2)C1 ZINC000831574173 583986212 /nfs/dbraw/zinc/98/62/12/583986212.db2.gz RPWYIOOQZLGRJU-QWRGUYRKSA-N -2 1 332.320 -0.216 20 0 EBADML O=C([O-])N1CC[C@@H](N(C(=O)CCn2cc[n-]c(=O)c2=O)C2CC2)C1 ZINC000831922146 583993504 /nfs/dbraw/zinc/99/35/04/583993504.db2.gz LSPVAZOKFGUUCV-LLVKDONJSA-N -2 1 336.348 -0.330 20 0 EBADML O=C([O-])N1CCC[C@H](OCC(=O)N2CCO[C@@H](c3nn[n-]n3)C2)C1 ZINC000831998764 583994334 /nfs/dbraw/zinc/99/43/34/583994334.db2.gz WBBGDDJNRAKJKS-VHSXEESVSA-N -2 1 340.340 -0.741 20 0 EBADML O=C([O-])N1CCOC[C@H]1C(=O)OCCC[N-]C(=O)C(F)(F)F ZINC000834284754 584030455 /nfs/dbraw/zinc/03/04/55/584030455.db2.gz IIZDOXCTGCCZAT-ZETCQYMHSA-N -2 1 328.243 -0.023 20 0 EBADML O=C([O-])N1CCOC[C@@H]1C(=O)OCCC[N-]C(=O)C(F)(F)F ZINC000834284753 584030474 /nfs/dbraw/zinc/03/04/74/584030474.db2.gz IIZDOXCTGCCZAT-SSDOTTSWSA-N -2 1 328.243 -0.023 20 0 EBADML CCNC(=O)CN1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000852733811 584214846 /nfs/dbraw/zinc/21/48/46/584214846.db2.gz ZNTWBSTZFXMPAY-IONNQARKSA-N -2 1 325.287 -0.281 20 0 EBADML CON(C)C(=O)[C@H](C)NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000863627139 584374494 /nfs/dbraw/zinc/37/44/94/584374494.db2.gz BYBSWRNZMHRKRN-ZETCQYMHSA-N -2 1 335.320 -0.117 20 0 EBADML CC(C)[C@@](C)(CNC(=O)[O-])NC(=O)CCn1cc[n-]c(=O)c1=O ZINC000738769239 603124327 /nfs/dbraw/zinc/12/43/27/603124327.db2.gz DQERUGHSGXOVNU-CQSZACIVSA-N -2 1 326.353 -0.275 20 0 EBADML O=C([O-])N1C[C@H](O)C[C@H]1C(=O)OCC(=O)[N-]C(=O)c1ccccc1 ZINC000740375533 603145190 /nfs/dbraw/zinc/14/51/90/603145190.db2.gz DNDXROPBNDMCFI-MNOVXSKESA-N -2 1 336.300 -0.401 20 0 EBADML Cc1n[nH]c(C(=O)N[C@H]2CN(Cc3nc(=O)n(C)[n-]3)CC[C@H]2C)c1[O-] ZINC000965915433 724539521 /nfs/dbraw/zinc/53/95/21/724539521.db2.gz BPZZSGPRDAJGGA-SCZZXKLOSA-N -2 1 349.395 -0.514 20 0 EBADML Cc1n[nH]c(C(=O)N[C@@H]2CCCN(Cc3nc(=O)n(C)[n-]3)[C@@H]2C)c1[O-] ZINC000993222411 725863987 /nfs/dbraw/zinc/86/39/87/725863987.db2.gz NHZIFYAQUBKRPO-NXEZZACHSA-N -2 1 349.395 -0.372 20 0 EBADML Cc1n[nH]c(C(=O)N[C@@H]2CCCN(Cc3nc(=O)n(C)[n-]3)[C@H]2C)c1[O-] ZINC000993222420 725864067 /nfs/dbraw/zinc/86/40/67/725864067.db2.gz NHZIFYAQUBKRPO-VHSXEESVSA-N -2 1 349.395 -0.372 20 0 EBADML O=C(N[C@@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1)c1ncccc1[O-] ZINC001053784720 736014518 /nfs/dbraw/zinc/01/45/18/736014518.db2.gz VIBWGSVKMQLTIX-VIFPVBQESA-N -2 1 346.347 -0.616 20 0 EBADML O=C(Oc1[n-]c(=O)ncc1C(F)(F)F)[C@H](O)COP(=O)([O-])[O-] ZINC001225576362 811818801 /nfs/dbraw/zinc/81/88/01/811818801.db2.gz HHHQLDKRTOACTG-SCSAIBSYSA-N -3 1 348.126 -0.423 20 0 EBADML O=C([O-])C[C@H](C(=O)Oc1[n-]c(=S)nc2c1CCC2)[C@H](O)C(=O)[O-] ZINC001226299966 811860167 /nfs/dbraw/zinc/86/01/67/811860167.db2.gz JXMRTMSGNKTQPE-RCOVLWMOSA-N -3 1 342.329 -0.304 20 0 EBADML C[C@@H]1OCc2c1nc(=O)[nH]c2OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001227715757 811940540 /nfs/dbraw/zinc/94/05/40/811940540.db2.gz GBENNCNNHNFTIT-DQSPEZDDSA-N -2 1 342.260 -0.785 20 0 EBADML NC(=O)[C@@H]1CC12CN(C(=O)c1cc(S(=O)(=O)[O-])ccc1[O-])C2 ZINC001269668763 814762387 /nfs/dbraw/zinc/76/23/87/814762387.db2.gz BFYGCLXCFWSJJG-VIFPVBQESA-N -2 1 326.330 -0.414 20 0 EBADML NC(=O)[C@]12C[C@H]1CCN2C(=O)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001269670410 814762697 /nfs/dbraw/zinc/76/26/97/814762697.db2.gz MNCVPAMGIPPWGT-UHLUBPPHSA-N -2 1 326.330 -0.271 20 0 EBADML CO[N-]C(=O)CNC(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC001310358210 821785010 /nfs/dbraw/zinc/78/50/10/821785010.db2.gz CYFKBCMUYXEOPG-UHFFFAOYSA-N -2 1 346.365 -0.134 20 0 EBADML CN1CCC[C@H](NC(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])C1=O ZINC001148927320 830556551 /nfs/dbraw/zinc/55/65/51/830556551.db2.gz MOYJFCYHJSCBBW-JTQLQIEISA-N -2 1 328.346 -0.011 20 0 EBADML O=C(N[C@H]1CCS(=O)(=O)C1)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001148926821 830556635 /nfs/dbraw/zinc/55/66/35/830556635.db2.gz WKJPMYHSHNQKTI-ZETCQYMHSA-N -2 1 335.359 -0.444 20 0 EBADML O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001148926820 830557496 /nfs/dbraw/zinc/55/74/96/830557496.db2.gz WKJPMYHSHNQKTI-SSDOTTSWSA-N -2 1 335.359 -0.444 20 0 EBADML CC[C@]1(C)NC(=O)N([N-]C(=O)c2coc(S(=O)(=O)[N-]C)c2)C1=O ZINC001326466020 840113039 /nfs/dbraw/zinc/11/30/39/840113039.db2.gz NTLZOPWNCVZVMT-LBPRGKRZSA-N -2 1 344.349 -0.447 20 0 EBADML O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)[C@@H](O)C1CC1 ZINC001594888557 954490051 /nfs/dbraw/zinc/49/00/51/954490051.db2.gz GHZLIDXWITXDQY-CIUDSAMLSA-N -2 1 338.282 -0.120 20 0 EBADML O=C([O-])[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001594895719 954562579 /nfs/dbraw/zinc/56/25/79/954562579.db2.gz HFPXSLQNIQJRLH-FSPLSTOPSA-N -2 1 337.258 -0.394 20 0 EBADML Cn1cc(S(=O)(=O)[N-]Cc2ccccc2C(=O)[O-])c(=O)[nH]c1=O ZINC001594549680 955713808 /nfs/dbraw/zinc/71/38/08/955713808.db2.gz RWQYNSANEOUQMP-UHFFFAOYSA-N -2 1 339.329 -0.337 20 0 EBADML CCOC(=O)c1nc(CNC(=O)C2CCN(C(=O)[O-])CC2)n[n-]1 ZINC001571164269 961968065 /nfs/dbraw/zinc/96/80/65/961968065.db2.gz KGZSTTPWYKVAFY-UHFFFAOYSA-N -2 1 325.325 -0.012 20 0 EBADML CCOC(=O)c1n[n-]c(CNC(=O)C2CCN(C(=O)[O-])CC2)n1 ZINC001571164269 961968085 /nfs/dbraw/zinc/96/80/85/961968085.db2.gz KGZSTTPWYKVAFY-UHFFFAOYSA-N -2 1 325.325 -0.012 20 0 EBADML COC[C@@](C)(CC(=O)[O-])NS(=O)(=O)c1cc(C(=O)OC)n[n-]1 ZINC001571223450 962561446 /nfs/dbraw/zinc/56/14/46/962561446.db2.gz HOAHMGVVIIYCCO-LLVKDONJSA-N -2 1 335.338 -0.646 20 0 EBADML COC[C@@](C)(CC(=O)[O-])NS(=O)(=O)c1cc(C(=O)OC)[n-]n1 ZINC001571223450 962561466 /nfs/dbraw/zinc/56/14/66/962561466.db2.gz HOAHMGVVIIYCCO-LLVKDONJSA-N -2 1 335.338 -0.646 20 0 EBADML COC[C@@]1(C(=O)[O-])CN(C(=O)N=c2ccnc3n(C)[n-]cc2-3)CCO1 ZINC001574140572 962570494 /nfs/dbraw/zinc/57/04/94/962570494.db2.gz HFEMOZLUTITZAB-OAHLLOKOSA-N -2 1 349.347 -0.324 20 0 EBADML COC(=O)c1cc(S(=O)(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)[n-]n1 ZINC001604375819 973092151 /nfs/dbraw/zinc/09/21/51/973092151.db2.gz AJQBWUGXPNFEHG-SFYZADRCSA-N -2 1 331.350 -0.072 20 0 EBADML COC(=O)c1cc(S(=O)(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)n[n-]1 ZINC001604375819 973092162 /nfs/dbraw/zinc/09/21/62/973092162.db2.gz AJQBWUGXPNFEHG-SFYZADRCSA-N -2 1 331.350 -0.072 20 0 EBADML O=C([O-])Cn1cccc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)c1=O ZINC001606350837 973795752 /nfs/dbraw/zinc/79/57/52/973795752.db2.gz XPJVJIFZBZOLFW-VIFPVBQESA-N -2 1 332.320 -0.534 20 0 EBADML CCOC(=O)c1c[n-]c(NC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)n1 ZINC001596740115 985043088 /nfs/dbraw/zinc/04/30/88/985043088.db2.gz SNWCDSONTLYMSI-MRVPVSSYSA-N -2 1 338.320 -0.152 20 0 EBADML CNS(=O)(=O)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1 ZINC001598672127 994774587 /nfs/dbraw/zinc/77/45/87/994774587.db2.gz NCXBONQLZLWKTQ-UHFFFAOYSA-N -2 1 346.770 -0.541 20 0 EBADML C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H](OC)C[C@]2(C)C(=O)[O-])co1 ZINC001598673262 994796346 /nfs/dbraw/zinc/79/63/46/994796346.db2.gz KDMXSGJAWZYUBZ-TVQRCGJNSA-N -2 1 346.361 -0.108 20 0 EBADML C[N-]S(=O)(=O)c1cc(C(=O)NC[C@H](C(=O)[O-])[C@H]2CCOC2)co1 ZINC001598673454 994798766 /nfs/dbraw/zinc/79/87/66/994798766.db2.gz ODBZUXQGSVRDJZ-WPRPVWTQSA-N -2 1 346.361 -0.345 20 0 EBADML C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](CC2OCCO2)C(=O)[O-])o1 ZINC001598674382 994816279 /nfs/dbraw/zinc/81/62/79/994816279.db2.gz GFUIROMBTRNZDX-SSDOTTSWSA-N -2 1 348.333 -0.866 20 0 EBADML COC(=O)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001598696370 995144251 /nfs/dbraw/zinc/14/42/51/995144251.db2.gz BTKCEJDJEVXZOI-RXMQYKEDSA-N -2 1 345.255 -0.120 20 0 EBADML COC[C@H]([N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F)C(=O)[O-] ZINC001599178431 996898332 /nfs/dbraw/zinc/89/83/32/996898332.db2.gz QHSRILVKTCQUTJ-YFKPBYRVSA-N -2 1 331.272 -0.183 20 0 EBADML COC(=O)C[C@@H](O)CNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000600467495 376369846 /nfs/dbraw/zinc/36/98/46/376369846.db2.gz PGLCSZYLDAAKLQ-SSDOTTSWSA-N -2 1 336.304 -0.602 20 0 EBADML COC(=O)c1cc(F)cc(S(=O)(=O)[N-]C[C@H](O)C(=O)[O-])c1F ZINC000600650627 376478740 /nfs/dbraw/zinc/47/87/40/376478740.db2.gz AHJSXRNGZRLGRJ-ZETCQYMHSA-N -2 1 339.272 -0.525 20 0 EBADML COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](Cc2c[nH]cn2)C(=O)[O-])o1 ZINC000274912762 379723587 /nfs/dbraw/zinc/72/35/87/379723587.db2.gz LARBKQAMRVPWOQ-QMMMGPOBSA-N -2 1 343.317 -0.237 20 0 EBADML COC(=O)c1coc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H]2CCOC2)c1 ZINC000547551740 380143482 /nfs/dbraw/zinc/14/34/82/380143482.db2.gz LHZWXWIIHYMRGX-OIBJUYFYSA-N -2 1 333.318 -0.166 20 0 EBADML COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cnn(C)c2)o1 ZINC000548528788 380213370 /nfs/dbraw/zinc/21/33/70/380213370.db2.gz DYHUMAOUGDPZLC-JTQLQIEISA-N -2 1 343.317 -0.096 20 0 EBADML C[C@@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000274938111 380565580 /nfs/dbraw/zinc/56/55/80/380565580.db2.gz FQVCXBDZYRDRKI-QMMMGPOBSA-N -2 1 333.366 -0.994 20 0 EBADML C[C@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000274938110 380566309 /nfs/dbraw/zinc/56/63/09/380566309.db2.gz FQVCXBDZYRDRKI-MRVPVSSYSA-N -2 1 333.366 -0.994 20 0 EBADML Cc1cc(C(=O)N[C@H]2CC(=O)N(C)C2=O)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000573018787 380654861 /nfs/dbraw/zinc/65/48/61/380654861.db2.gz CXQNVRFIUMUYIE-ZETCQYMHSA-N -2 1 331.288 -0.768 20 0 EBADML CO[C@@H](C[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)C(=O)[O-] ZINC000578354198 380924155 /nfs/dbraw/zinc/92/41/55/380924155.db2.gz RPQFQPNZFYJMJI-YFKPBYRVSA-N -2 1 331.272 -0.183 20 0 EBADML Cc1cc(C(=O)NCCN2C(=O)CNC2=O)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000266824883 154355634 /nfs/dbraw/zinc/35/56/34/154355634.db2.gz JKNVBCCZVMPMDY-UHFFFAOYSA-N -2 1 346.303 -0.974 20 0 EBADML Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)c1cnc([O-])n(C)c1=O ZINC000267609452 154384615 /nfs/dbraw/zinc/38/46/15/154384615.db2.gz OMCZOPDMAOHNEC-UHFFFAOYSA-N -2 1 344.331 -0.631 20 0 EBADML CC(C)(C)n1nnc(C[N-]S(=O)(=O)c2cncc(C(=O)[O-])c2)n1 ZINC000656180097 420882591 /nfs/dbraw/zinc/88/25/91/420882591.db2.gz GBXMCCOALNFWKV-UHFFFAOYSA-N -2 1 340.365 0.000 20 0 EBADML C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)co1 ZINC000659780475 421031162 /nfs/dbraw/zinc/03/11/62/421031162.db2.gz NRCWEQQPVIKVOQ-NOZJJQNGSA-N -2 1 344.345 -0.639 20 0 EBADML C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@]2(COC)C(=O)[O-])co1 ZINC000818311325 583741339 /nfs/dbraw/zinc/74/13/39/583741339.db2.gz LUDKJCVLUFYUBP-ZDUSSCGKSA-N -2 1 346.361 -0.107 20 0 EBADML CS(=O)(=O)c1n[n-]c(NC(=O)C[C@H]2CSCCN2C(=O)[O-])n1 ZINC000829699850 583957357 /nfs/dbraw/zinc/95/73/57/583957357.db2.gz NXBWWAIZSJGBJS-LURJTMIESA-N -2 1 349.394 -0.368 20 0 EBADML CS(=O)(=O)c1n[n-]c(NC(=O)C2(CNC(=O)[O-])CCCC2)n1 ZINC000829700387 583957460 /nfs/dbraw/zinc/95/74/60/583957460.db2.gz QMNAKRNGYGKUAP-UHFFFAOYSA-N -2 1 331.354 -0.025 20 0 EBADML Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-] ZINC000830785274 583970815 /nfs/dbraw/zinc/97/08/15/583970815.db2.gz KSIJJUPWDSBFBI-GXSJLCMTSA-N -2 1 349.347 -0.219 20 0 EBADML O=C([O-])N1CCN(c2n[nH]c([N-]C(=O)c3cccc[n+]3[O-])n2)CC1 ZINC000831815436 583992156 /nfs/dbraw/zinc/99/21/56/583992156.db2.gz IKYACUSUQXIXCP-UHFFFAOYSA-N -2 1 333.308 -0.510 20 0 EBADML Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000833004787 584002901 /nfs/dbraw/zinc/00/29/01/584002901.db2.gz ZWZLDFCZGQPUDP-NSHDSACASA-N -2 1 334.332 -0.094 20 0 EBADML O=C([O-])C[C@H]1C(=O)NCCN1C(=O)c1n[n-]c2ccccc2c1=O ZINC000739633849 600483999 /nfs/dbraw/zinc/48/39/99/600483999.db2.gz IRMOVPMBPKZIPI-JTQLQIEISA-N -2 1 330.300 -0.249 20 0 EBADML O=C([O-])[C@H](CNC(=O)CCn1cc[n-]c(=O)c1=O)c1ccccc1 ZINC000738460562 601082328 /nfs/dbraw/zinc/08/23/28/601082328.db2.gz YHILGLVGTTULFP-GFCCVEGCSA-N -2 1 331.328 -0.089 20 0 EBADML COC1(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)CCN(C(=O)[O-])CC1 ZINC000739798820 602501244 /nfs/dbraw/zinc/50/12/44/602501244.db2.gz KYPWGDSCBZKQQL-VIFPVBQESA-N -2 1 340.340 -0.741 20 0 EBADML Cc1c(C(=O)NCc2nn[n-]n2)nnn1C1CCN(C(=O)[O-])CC1 ZINC000740038180 602544599 /nfs/dbraw/zinc/54/45/99/602544599.db2.gz OYSZEAWDAYBCCB-UHFFFAOYSA-N -2 1 335.328 -0.655 20 0 EBADML O=C([O-])N1CCN(CC(=O)Nc2n[n-]c(C(F)(F)F)n2)C(=O)C1 ZINC000740371033 603020011 /nfs/dbraw/zinc/02/00/11/603020011.db2.gz JNSBPEAYVUBUJF-UHFFFAOYSA-N -2 1 336.230 -0.416 20 0 EBADML CNC(=O)[N-][N-]S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000048961964 649948818 /nfs/dbraw/zinc/94/88/18/649948818.db2.gz SLIVXZHAHLROFW-UHFFFAOYSA-N -2 1 341.798 -0.134 20 0 EBADML O=c1nc(CC[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])[n-]o1 ZINC000392169735 719415438 /nfs/dbraw/zinc/41/54/38/719415438.db2.gz DWWRDVCGRUKGFW-UHFFFAOYSA-N -2 1 332.269 -0.069 20 0 EBADML O=C([O-])N(CC(=O)N1CCO[C@@H](c2nn[n-]n2)C1)C[C@H]1CCCO1 ZINC000740491530 719420464 /nfs/dbraw/zinc/42/04/64/719420464.db2.gz LZUXLSRYFQWAMY-NXEZZACHSA-N -2 1 340.340 -0.741 20 0 EBADML Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)c3ncccc3[O-])C[C@@H]2O)c1[O-] ZINC000962303212 723222542 /nfs/dbraw/zinc/22/25/42/723222542.db2.gz LHWVYQNGAZDAFR-SCZZXKLOSA-N -2 1 347.331 -0.860 20 0 EBADML Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)c3ncccc3[O-])C[C@H]2O)c1[O-] ZINC001023413499 729682594 /nfs/dbraw/zinc/68/25/94/729682594.db2.gz LHWVYQNGAZDAFR-PSASIEDQSA-N -2 1 347.331 -0.860 20 0 EBADML O=C([O-])C[C@H](C(=O)OCCCC[P@](=O)([O-])O)[C@H](O)C(=O)[O-] ZINC001225018700 811787841 /nfs/dbraw/zinc/78/78/41/811787841.db2.gz FTAYTEYNSCQZKK-XPUUQOCRSA-N -3 1 328.210 -0.976 20 0 EBADML C[C@@]1(CO)CCN(C(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])C[C@@H]1O ZINC001148917533 830554896 /nfs/dbraw/zinc/55/48/96/830554896.db2.gz VZBIEXDTJGQZRY-JSGCOSHPSA-N -2 1 345.373 -0.156 20 0 EBADML O=C(NC1(CO)CCOCC1)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001148927282 830557407 /nfs/dbraw/zinc/55/74/07/830557407.db2.gz KVHNBXKFZSGBNF-UHFFFAOYSA-N -2 1 331.346 -0.090 20 0 EBADML CC1(C)C(=O)NC[C@@H]1NC(=O)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001148933813 830558535 /nfs/dbraw/zinc/55/85/35/830558535.db2.gz OANBJUNRJJGVAO-JTQLQIEISA-N -2 1 328.346 -0.107 20 0 EBADML O=c1[n-]c2nc(=O)[nH]c(Nc3ccc4c(c3)S(=O)(=O)[N-]C4=O)c2[nH]1 ZINC001170217854 832492639 /nfs/dbraw/zinc/49/26/39/832492639.db2.gz LGQSZAWOJFHDMG-UHFFFAOYSA-N -2 1 348.300 -0.109 20 0 EBADML Nc1nonc1[N-]C(=O)c1cc2n(n1)CCCN(CC(=O)[O-])C2=O ZINC001178365534 832855236 /nfs/dbraw/zinc/85/52/36/832855236.db2.gz BHXFFRKVTXPBGN-UHFFFAOYSA-N -2 1 335.280 -0.969 20 0 EBADML C[C@H]1CN(C(=O)C(=O)N=c2ccnc3n(C)[n-]cc2-3)CC[C@@H]1C(=O)[O-] ZINC001348242974 843673763 /nfs/dbraw/zinc/67/37/63/843673763.db2.gz DGLWQXDTGWWCHF-UWVGGRQHSA-N -2 1 345.359 -0.151 20 0 EBADML O=C([O-])CC1(NC(=O)CNC(=O)c2ncccc2[O-])CCOCC1 ZINC001594979800 950975992 /nfs/dbraw/zinc/97/59/92/950975992.db2.gz QXBGSWPYVLVIIF-UHFFFAOYSA-N -2 1 337.332 -0.343 20 0 EBADML CCOC(=O)[C@H](COC)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001591006146 951042730 /nfs/dbraw/zinc/04/27/30/951042730.db2.gz VXQXWFYNHYMESB-JTQLQIEISA-N -2 1 338.382 -0.805 20 0 EBADML C[C@@H](CNC(=O)c1ncccc1[O-])Nc1ccnc(-c2nnn[n-]2)n1 ZINC001575068051 951629712 /nfs/dbraw/zinc/62/97/12/951629712.db2.gz WLVGHCIIMCJSJZ-QMMMGPOBSA-N -2 1 341.335 -0.590 20 0 EBADML COc1ccc(C(=O)[N-]C(=O)CN2CCN(C(=O)C(=O)[O-])CC2)cc1 ZINC001594077918 958232297 /nfs/dbraw/zinc/23/22/97/958232297.db2.gz GIEYDXYFHBSKGU-UHFFFAOYSA-N -2 1 349.343 -0.820 20 0 EBADML CC(=O)NCCN(Cc1nc2c(c(=O)[n-]1)COCC2)[C@H](C)C(=O)[O-] ZINC001588514799 958783728 /nfs/dbraw/zinc/78/37/28/958783728.db2.gz DUZPYIQIZBJKEW-SECBINFHSA-N -2 1 338.364 -0.334 20 0 EBADML CS(=O)(=O)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1 ZINC001571202794 962382673 /nfs/dbraw/zinc/38/26/73/962382673.db2.gz QSJNXNXZHWWLJT-UHFFFAOYSA-N -2 1 331.755 -0.046 20 0 EBADML C[C@@H](NC(=O)CCn1cc[n-]c(=O)c1=O)c1ncc(C(=O)[O-])s1 ZINC001593026529 980290396 /nfs/dbraw/zinc/29/03/96/980290396.db2.gz YSSDTMAXDZAMPQ-SSDOTTSWSA-N -2 1 338.345 -0.041 20 0 EBADML CCOC(=O)[C@@H](CO)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1 ZINC001596535400 984368259 /nfs/dbraw/zinc/36/82/59/984368259.db2.gz RTCREBGBMHQPGN-ZCFIWIBFSA-N -2 1 341.725 -0.167 20 0 EBADML CN(C)[S@@](C)(=O)=NS(=O)(=O)[N-][C@@]1(CC(=O)[O-])CCOC1 ZINC001598283301 991172197 /nfs/dbraw/zinc/17/21/97/991172197.db2.gz HTJMBHIQSZUIJI-HOGDKLEQSA-N -2 1 329.400 -0.971 20 0 EBADML CS(C)(=O)=NS(=O)(=O)[N-][C@@H](Cc1cncs1)C(=O)[O-] ZINC001599780565 992359032 /nfs/dbraw/zinc/35/90/32/992359032.db2.gz FTQQWJXKKIMEGH-ZETCQYMHSA-N -2 1 327.409 -0.299 20 0 EBADML C[N-]S(=O)(=O)c1cc(C(=O)N[C@]2(C(=O)[O-])CCSC2)co1 ZINC001598673529 994800595 /nfs/dbraw/zinc/80/05/95/994800595.db2.gz SHILBFUZFGDGIN-LLVKDONJSA-N -2 1 334.375 -0.122 20 0 EBADML COC(=O)[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC001598894829 997061105 /nfs/dbraw/zinc/06/11/05/997061105.db2.gz SXYXGNUTSPWXLB-ZCFIWIBFSA-N -2 1 339.757 -0.242 20 0 EBADML COCC[C@@H]([N-]S(=O)(=O)c1nc[nH]c1Br)C(=O)[O-] ZINC001599218050 997616938 /nfs/dbraw/zinc/61/69/38/997616938.db2.gz CUXWJOZIYRTXAQ-RXMQYKEDSA-N -2 1 342.171 -0.060 20 0 EBADML COC(=O)c1c[nH]nc1S(=O)(=O)[N-]C[C@@H](C(=O)[O-])[C@@H]1CCOC1 ZINC001599007205 998865403 /nfs/dbraw/zinc/86/54/03/998865403.db2.gz GJQCBBRBAKAQJC-HTQZYQBOSA-N -2 1 347.349 -0.788 20 0 EBADML Cc1cc(C(=O)N2CC3(C2)CNC(=O)O3)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC001412266240 1129493228 /nfs/dbraw/zinc/49/32/28/1129493228.db2.gz DONYYOAPMGXBQN-UHFFFAOYSA-N -2 1 331.288 -0.321 20 0 EBADML Cc1cc(C(=O)N2CCO[C@H]([C@@H](C)O)C2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC001362551252 1131609121 /nfs/dbraw/zinc/60/91/21/1131609121.db2.gz ZTCUGYZPJLMSHV-SCZZXKLOSA-N -2 1 334.332 -0.034 20 0 EBADML Cc1cc(C(=O)N2CC[C@H](O)[C@H](CO)C2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC001363370280 1131918339 /nfs/dbraw/zinc/91/83/39/1131918339.db2.gz QCZZHMQODRUSRY-WPRPVWTQSA-N -2 1 334.332 -0.440 20 0 EBADML Cc1cc(C(=O)N2C[C@@H]3C(=O)OC[C@@H]3C2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC001363499883 1131978122 /nfs/dbraw/zinc/97/81/22/1131978122.db2.gz JDJJONXLAGBAAE-YUMQZZPRSA-N -2 1 330.300 -0.011 20 0 EBADML Cc1cc(C(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000268421662 379300287 /nfs/dbraw/zinc/30/02/87/379300287.db2.gz XKFYPBSZTLMIJW-CBAPKCEASA-N -2 1 347.331 -0.493 20 0 EBADML Cc1cc(C(=O)N(C)CC(C)(CO)CO)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000272771994 379602331 /nfs/dbraw/zinc/60/23/31/379602331.db2.gz SLAHJBWUXCAWAU-UHFFFAOYSA-N -2 1 336.348 -0.193 20 0 EBADML CCC[C@H](O)[C@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)o1)C(=O)[O-] ZINC000548262328 380195096 /nfs/dbraw/zinc/19/50/96/380195096.db2.gz GMVRHSPNVNNTHQ-XVKPBYJWSA-N -2 1 335.334 -0.041 20 0 EBADML NC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)C(=O)[O-] ZINC000037405981 381184556 /nfs/dbraw/zinc/18/45/56/381184556.db2.gz MHNBNZIWWRZFHS-YFKPBYRVSA-N -2 1 326.252 -0.289 20 0 EBADML CCC[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)C(=O)[O-] ZINC000262238267 154220188 /nfs/dbraw/zinc/22/01/88/154220188.db2.gz AXYLPMFVMXINRJ-ZETCQYMHSA-N -2 1 347.349 -0.974 20 0 EBADML COC(=O)[C@@H]1COCCN1C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000267701894 419318372 /nfs/dbraw/zinc/31/83/72/419318372.db2.gz JENPBIUZFAIVHW-VIFPVBQESA-N -2 1 348.315 -0.242 20 0 EBADML C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](C(=O)[O-])C2CCOCC2)o1 ZINC000668308473 545654726 /nfs/dbraw/zinc/65/47/26/545654726.db2.gz BFURZYWAEFPEPU-NSHDSACASA-N -2 1 346.361 -0.203 20 0 EBADML COC(=O)c1oc(S(=O)(=O)[N-][C@H](CCC(N)=O)C(=O)[O-])cc1C ZINC000596032394 545802548 /nfs/dbraw/zinc/80/25/48/545802548.db2.gz LOIDCRDGKGSUNP-SSDOTTSWSA-N -2 1 348.333 -0.628 20 0 EBADML O=C(CCn1cc[n-]c(=O)c1=O)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000728968095 582680812 /nfs/dbraw/zinc/68/08/12/582680812.db2.gz WCQXQBKDKTWCGJ-UHFFFAOYSA-N -2 1 343.299 -0.091 20 0 EBADML Cn1cc(C[C@@H]([N-]S(=O)(=O)c2c[nH]nc2Cl)C(=O)[O-])cn1 ZINC000819092602 583754919 /nfs/dbraw/zinc/75/49/19/583754919.db2.gz ASPPUEHUBJBQLM-SSDOTTSWSA-N -2 1 333.757 -0.229 20 0 EBADML Cn1cc(-c2nn[n-]n2)c([N-]S(=O)(=O)C[C@@H]2CCCCO2)n1 ZINC000822619829 583814544 /nfs/dbraw/zinc/81/45/44/583814544.db2.gz HIWBHEOINQGEAX-QMMMGPOBSA-N -2 1 327.370 -0.089 20 0 EBADML CCCCC[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000829347221 583952698 /nfs/dbraw/zinc/95/26/98/583952698.db2.gz HZXNDGMBMQTBSG-VIFPVBQESA-N -2 1 347.393 -0.604 20 0 EBADML CNS(=O)(=O)c1csc(C(=O)[N-]c2n[nH]c(CC(=O)[O-])n2)c1 ZINC000831042246 583975473 /nfs/dbraw/zinc/97/54/73/583975473.db2.gz RDFWCYPRFXKKBP-UHFFFAOYSA-N -2 1 345.362 -0.346 20 0 EBADML O=C([O-])N1CCc2c1cccc2NC(=O)C(=O)NCc1nn[n-]n1 ZINC000831731173 583990719 /nfs/dbraw/zinc/99/07/19/583990719.db2.gz SQZOUQBDMOKTJV-UHFFFAOYSA-N -2 1 331.292 -0.505 20 0 EBADML C[C@@H](C(N)=O)N(C)C(=O)c1ccc(-n2[n-]c(CC(=O)[O-])cc2=O)cc1 ZINC000833407486 584010126 /nfs/dbraw/zinc/01/01/26/584010126.db2.gz LKRONZVNUHQPGU-VIFPVBQESA-N -2 1 346.343 -0.262 20 0 EBADML CCN(OC)C(=O)CNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000844069739 584087211 /nfs/dbraw/zinc/08/72/11/584087211.db2.gz YAMFKQXMSYRFDZ-UHFFFAOYSA-N -2 1 335.320 -0.116 20 0 EBADML Cc1onc(N)c1S(=O)(=O)[N-][C@@H](Cc1ccncn1)C(=O)[O-] ZINC000844804566 584097279 /nfs/dbraw/zinc/09/72/79/584097279.db2.gz NTUJNSDTAMAKGU-QMMMGPOBSA-N -2 1 327.322 -0.671 20 0 EBADML C[C@H](C(=O)[O-])C(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000851704085 584200709 /nfs/dbraw/zinc/20/07/09/584200709.db2.gz SGZIWWKCJYJCAG-LYFYHCNISA-N -3 1 340.254 -0.170 20 0 EBADML O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)CCn1cc[n-]c(=O)c1=O ZINC000739715426 600501518 /nfs/dbraw/zinc/50/15/18/600501518.db2.gz DFKVARSINVEKRP-NSHDSACASA-N -2 1 339.348 -0.591 20 0 EBADML C[C@@H](NC(=O)CCn1cc[n-]c(=O)c1=O)[C@H]1CCCN(C(=O)[O-])C1 ZINC000738957219 602188846 /nfs/dbraw/zinc/18/88/46/602188846.db2.gz BKAQCSDIATUWFX-MNOVXSKESA-N -2 1 338.364 -0.179 20 0 EBADML CNC(=O)CN1CCN(C(=O)c2ccc(NC(=O)[O-])cc2[O-])CC1 ZINC000739741151 602848975 /nfs/dbraw/zinc/84/89/75/602848975.db2.gz XUJRUUOPXXXRLW-UHFFFAOYSA-N -2 1 336.348 -0.014 20 0 EBADML O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)OCC(=O)[N-]C(=O)c1ccccc1 ZINC000740375536 603145332 /nfs/dbraw/zinc/14/53/32/603145332.db2.gz DNDXROPBNDMCFI-WDEREUQCSA-N -2 1 336.300 -0.401 20 0 EBADML COC(=O)c1cn[n-]c1S(=O)(=O)N=c1cc[nH]cc1C(=O)OC ZINC000912560766 650209185 /nfs/dbraw/zinc/20/91/85/650209185.db2.gz VMYXQSMZHZBVRQ-UHFFFAOYSA-N -2 1 340.317 -0.399 20 0 EBADML COC(=O)c1cn[n-]c1S(=O)(=O)[N-]c1ccncc1C(=O)OC ZINC000912560766 650209188 /nfs/dbraw/zinc/20/91/88/650209188.db2.gz VMYXQSMZHZBVRQ-UHFFFAOYSA-N -2 1 340.317 -0.399 20 0 EBADML Cc1n[nH]c(C(=O)N[C@H]2CN(Cc3nc(=O)n(C)[n-]3)CC2(C)C)c1[O-] ZINC000973043186 725623367 /nfs/dbraw/zinc/62/33/67/725623367.db2.gz NOTAPABPTXMTFJ-VIFPVBQESA-N -2 1 349.395 -0.514 20 0 EBADML Cc1n[nH]c(C(=O)NCC2=CCN(Cc3nc(=O)n(C)[n-]3)CC2)c1[O-] ZINC001000586587 726571991 /nfs/dbraw/zinc/57/19/91/726571991.db2.gz CZVKXFQEMDADGD-UHFFFAOYSA-N -2 1 347.379 -0.592 20 0 EBADML Cc1[nH]nc(C(=O)N2CC[C@H]3[C@H](CCN3Cc3n[nH]c(=O)[n-]3)C2)c1[O-] ZINC001036691770 731264431 /nfs/dbraw/zinc/26/44/31/731264431.db2.gz VCSRKAHNGSUFNS-ZJUUUORDSA-N -2 1 347.379 -0.016 20 0 EBADML Cc1n[nH]c(C(=O)N[C@H]2CC[C@@H](C)N(Cc3nc(=O)n(C)[n-]3)C2)c1[O-] ZINC001071435444 741135973 /nfs/dbraw/zinc/13/59/73/741135973.db2.gz WZUXMURYYLOGFC-SCZZXKLOSA-N -2 1 349.395 -0.372 20 0 EBADML C[C@@H](CCNC(=O)c1ncccc1[O-])NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001076244961 742419009 /nfs/dbraw/zinc/41/90/09/742419009.db2.gz IAJJKKOIRWIVLI-ZETCQYMHSA-N -2 1 348.319 -0.678 20 0 EBADML COCc1cc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])[n-]c(=S)n1 ZINC001225936603 811837231 /nfs/dbraw/zinc/83/72/31/811837231.db2.gz BNTGLGGSIMMNIB-HZGVNTEJSA-N -3 1 346.317 -0.647 20 0 EBADML CN1C[C@H](NC(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])CCC1=O ZINC001148927226 830557418 /nfs/dbraw/zinc/55/74/18/830557418.db2.gz IWOKUWULBZFITE-MRVPVSSYSA-N -2 1 328.346 -0.011 20 0 EBADML O=C([O-])CNC(=O)C[N-]S(=O)(=O)c1cnc(Cl)cc1Cl ZINC001320417276 838768047 /nfs/dbraw/zinc/76/80/47/838768047.db2.gz ONNPEZMIISNYQT-UHFFFAOYSA-N -2 1 342.160 -0.133 20 0 EBADML CCOC(=O)c1n[n-]nc1[C@H]1CCCN1C(=O)[C@H](OC)C(=O)[O-] ZINC001591280417 951127851 /nfs/dbraw/zinc/12/78/51/951127851.db2.gz RKTDDCHUBVUPMC-XCBNKYQSSA-N -2 1 326.309 -0.256 20 0 EBADML O=C([O-])C1(C(=O)N2CCC(O)(c3nn[n-]n3)CC2)CCSCC1 ZINC001594846348 954151469 /nfs/dbraw/zinc/15/14/69/954151469.db2.gz XEJGCHPDXPAADQ-UHFFFAOYSA-N -2 1 341.393 -0.392 20 0 EBADML O=C([O-])[C@@]1([N-]S(=O)(=O)c2nc[nH]c2Br)CCOC1 ZINC001594883454 954448650 /nfs/dbraw/zinc/44/86/50/954448650.db2.gz SVALZZZSTOCNJO-MRVPVSSYSA-N -2 1 340.155 -0.306 20 0 EBADML O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)[C@H](O)C1CC1 ZINC001594888562 954489750 /nfs/dbraw/zinc/48/97/50/954489750.db2.gz GHZLIDXWITXDQY-XHNCKOQMSA-N -2 1 338.282 -0.120 20 0 EBADML CO[C@@H](C(=O)[O-])C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC001593912725 955984475 /nfs/dbraw/zinc/98/44/75/955984475.db2.gz NALAULZUEVVLFG-LLVKDONJSA-N -2 1 344.345 -0.129 20 0 EBADML NC(=O)CCC(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC001594638588 956395535 /nfs/dbraw/zinc/39/55/35/956395535.db2.gz MVAAFAYTAIZREK-RCOVLWMOSA-N -2 1 339.270 -0.625 20 0 EBADML Cn1cc(S(=O)(=O)[N-]C2(CC(=O)[O-])CCCC2)c(=O)n(C)c1=O ZINC000391290700 972327898 /nfs/dbraw/zinc/32/78/98/972327898.db2.gz JVHIPVKAJRFLOU-UHFFFAOYSA-N -2 1 345.377 -0.850 20 0 EBADML Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@@H]1CC(C(=O)[O-])=NO1 ZINC001594463857 959484240 /nfs/dbraw/zinc/48/42/40/959484240.db2.gz NIBAJRKDCIVYAQ-JTQLQIEISA-N -2 1 333.304 -0.103 20 0 EBADML C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])no1)c1nnc2n1CCC2 ZINC000315382616 963892579 /nfs/dbraw/zinc/89/25/79/963892579.db2.gz KGIPDRUTSDDIFC-LURJTMIESA-N -2 1 327.322 -0.050 20 0 EBADML CSc1ncc(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)c(=O)[n-]1 ZINC001604971343 972560367 /nfs/dbraw/zinc/56/03/67/972560367.db2.gz SAIVOMJVUXWNRJ-UHFFFAOYSA-N -2 1 326.334 -0.727 20 0 EBADML O=C([O-])[C@H](CC(=O)OCc1ccccc1)NC(=O)CCc1nn[n-]n1 ZINC001605689454 974106927 /nfs/dbraw/zinc/10/69/27/974106927.db2.gz ORDLSASYXBGIRY-NSHDSACASA-N -2 1 347.331 -0.165 20 0 EBADML CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@@H]2C(=O)[O-])o1 ZINC001596726603 984984613 /nfs/dbraw/zinc/98/46/13/984984613.db2.gz WHPKPBYEWOOMCX-XCBNKYQSSA-N -2 1 333.318 -0.023 20 0 EBADML CC(C)C[C@@H](C[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O)C(=O)[O-] ZINC001591162502 991922804 /nfs/dbraw/zinc/92/28/04/991922804.db2.gz GTPFABHRZOATKH-QMMMGPOBSA-N -2 1 333.366 -0.489 20 0 EBADML C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](CC2OCCO2)C(=O)[O-])co1 ZINC001598673584 994801788 /nfs/dbraw/zinc/80/17/88/994801788.db2.gz VKRZVWRESLBELZ-MRVPVSSYSA-N -2 1 348.333 -0.866 20 0 EBADML C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](OC)C[C@@H]2C(=O)[O-])o1 ZINC001598674989 994827550 /nfs/dbraw/zinc/82/75/50/994827550.db2.gz WRSXCTDEUHKCNJ-RKDXNWHRSA-N -2 1 346.361 -0.108 20 0 EBADML COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-][C@@]1(CC(=O)[O-])CCOC1 ZINC001598911991 997387315 /nfs/dbraw/zinc/38/73/15/997387315.db2.gz PYGCZYSUCOMVKN-GFCCVEGCSA-N -2 1 347.349 -0.583 20 0 EBADML C[C@]1([N-]C(=O)C(F)(F)F)CCN(CC(=O)NCCC(=O)[O-])C1 ZINC001594053772 997776277 /nfs/dbraw/zinc/77/62/77/997776277.db2.gz YCIVMEJOBFCWEY-NSHDSACASA-N -2 1 325.287 -0.280 20 0 EBADML COC(=O)c1cc(S(=O)(=O)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)[n-]n1 ZINC001598950653 998144297 /nfs/dbraw/zinc/14/42/97/998144297.db2.gz DPBJAGQUYGGKFX-MADCSZMMSA-N -2 1 331.350 -0.072 20 0 EBADML COC(=O)c1cc(S(=O)(=O)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)n[n-]1 ZINC001598950653 998144308 /nfs/dbraw/zinc/14/43/08/998144308.db2.gz DPBJAGQUYGGKFX-MADCSZMMSA-N -2 1 331.350 -0.072 20 0 EBADML Cc1cc(C(=O)N(C)C2CS(=O)(=O)C2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC001412407152 1129521321 /nfs/dbraw/zinc/52/13/21/1129521321.db2.gz LSILYRRPTPPOMM-UHFFFAOYSA-N -2 1 338.345 -0.387 20 0 EBADML O=c1nc(CC[N-]S(=O)(=O)c2c[nH]nc2C(F)(F)F)[n-]o1 ZINC001364833337 1132447540 /nfs/dbraw/zinc/44/75/40/1132447540.db2.gz PYYAQRASUJRQCN-UHFFFAOYSA-N -2 1 327.244 -0.374 20 0 EBADML COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(=O)[O-])o1 ZINC000275008066 379731462 /nfs/dbraw/zinc/73/14/62/379731462.db2.gz PJDZCNRSCPPWBP-ZCFIWIBFSA-N -3 1 335.290 -0.480 20 0 EBADML C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@]2(C(=O)[O-])CCCOC2)o1 ZINC000630336106 380040148 /nfs/dbraw/zinc/04/01/48/380040148.db2.gz LVSRPKSWXSSMIX-ZDUSSCGKSA-N -2 1 346.361 -0.201 20 0 EBADML COC(=O)c1coc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H]2CCOC2)c1 ZINC000547551741 380143594 /nfs/dbraw/zinc/14/35/94/380143594.db2.gz LHZWXWIIHYMRGX-XCBNKYQSSA-N -2 1 333.318 -0.166 20 0 EBADML CCn1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H]2CCOC2)c([N+](=O)[O-])n1 ZINC000547557357 380143802 /nfs/dbraw/zinc/14/38/02/380143802.db2.gz MPOHOVHSTSROQH-APPZFPTMSA-N -2 1 348.337 -0.421 20 0 EBADML CCC[C@H](O)[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)co1)C(=O)[O-] ZINC000548267180 380195585 /nfs/dbraw/zinc/19/55/85/380195585.db2.gz WIXKDPCQZBPHBC-WPRPVWTQSA-N -2 1 335.334 -0.041 20 0 EBADML Cn1cc(S(=O)(=O)[N-][C@@H]2CCC[C@]2(C)C(=O)[O-])c(=O)n(C)c1=O ZINC000322594556 380581258 /nfs/dbraw/zinc/58/12/58/380581258.db2.gz VQVXTCXGFTZYOQ-RNCFNFMXSA-N -2 1 345.377 -0.994 20 0 EBADML COC(=O)c1coc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccnn2C)c1 ZINC000578127863 380902864 /nfs/dbraw/zinc/90/28/64/380902864.db2.gz SMYNQAVEXFTHPV-SNVBAGLBSA-N -2 1 343.317 -0.096 20 0 EBADML Cc1cc(C(=O)NC[C@@H]2COCCN2C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000628920081 382060860 /nfs/dbraw/zinc/06/08/60/382060860.db2.gz WIHUYDWYXHUAEM-SECBINFHSA-N -2 1 333.348 -0.195 20 0 EBADML Cc1cc(C(=O)NC[C@H]2COCCN2C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000628920099 382061813 /nfs/dbraw/zinc/06/18/13/382061813.db2.gz WIHUYDWYXHUAEM-VIFPVBQESA-N -2 1 333.348 -0.195 20 0 EBADML C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@]2(COC)C(=O)[O-])o1 ZINC000643850775 419077779 /nfs/dbraw/zinc/07/77/79/419077779.db2.gz ZOUKEYNBNGOEEA-ZDUSSCGKSA-N -2 1 346.361 -0.107 20 0 EBADML Cc1cc(=NC([O-])=CC=C(O)Nc2ccc3[n-]c(=O)nc-3[nH]2)[nH]n1C ZINC000429219477 265135004 /nfs/dbraw/zinc/13/50/04/265135004.db2.gz KVMMNKLQLQMGCM-UHFFFAOYSA-N -2 1 343.347 -0.093 20 0 EBADML Cc1cc(C(=O)N[C@@H]2CCS(=O)(=O)C2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000353658720 301139732 /nfs/dbraw/zinc/13/97/32/301139732.db2.gz OOEYKRVGKYKEIR-SSDOTTSWSA-N -2 1 338.345 -0.339 20 0 EBADML Cc1cc(C(=O)NCc2nnnn2C2CC2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000673683938 546147318 /nfs/dbraw/zinc/14/73/18/546147318.db2.gz MYOZELSRQCNZIJ-UHFFFAOYSA-N -2 1 342.319 -0.004 20 0 EBADML Cn1c(CNC(=O)c2cnc3[nH]c(=O)nc([O-])c3c2)n[n-]c1=S ZINC000729276509 582689724 /nfs/dbraw/zinc/68/97/24/582689724.db2.gz GJWQIMJYQSZCDM-UHFFFAOYSA-N -2 1 333.333 -0.217 20 0 EBADML O=C(CCn1c(=O)c2ccccc2[n-]c1=S)NCc1nn[n-]n1 ZINC000732157827 582845310 /nfs/dbraw/zinc/84/53/10/582845310.db2.gz IHBKKPVJSQKWOD-UHFFFAOYSA-N -2 1 331.361 -0.095 20 0 EBADML Cn1cnc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccnn2C)c1Cl ZINC000819090337 583754993 /nfs/dbraw/zinc/75/49/93/583754993.db2.gz UIXWMLNOBFIPNJ-SSDOTTSWSA-N -2 1 333.757 -0.089 20 0 EBADML O=C([N-]S(=O)(=O)N1CCCC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823284377 583827677 /nfs/dbraw/zinc/82/76/77/583827677.db2.gz FOJHFZWLDVIIAM-UHFFFAOYSA-N -2 1 328.379 -0.001 20 0 EBADML O=C([N-]S(=O)(=O)N1CCCC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823284377 583827680 /nfs/dbraw/zinc/82/76/80/583827680.db2.gz FOJHFZWLDVIIAM-UHFFFAOYSA-N -2 1 328.379 -0.001 20 0 EBADML C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC000825001332 583853752 /nfs/dbraw/zinc/85/37/52/583853752.db2.gz ZGPVWJQLYQROCW-QMMMGPOBSA-N -2 1 343.355 -0.809 20 0 EBADML CN(CCCC(=O)[O-])S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000825919340 583870875 /nfs/dbraw/zinc/87/08/75/583870875.db2.gz ZVSNMPNRDVYJMX-UHFFFAOYSA-N -2 1 326.338 -0.253 20 0 EBADML CN(CCCC(=O)[O-])S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000825919340 583870876 /nfs/dbraw/zinc/87/08/76/583870876.db2.gz ZVSNMPNRDVYJMX-UHFFFAOYSA-N -2 1 326.338 -0.253 20 0 EBADML CNC(=O)c1ccc(S(=O)(=O)[N-]c2n[nH]cc2-c2nn[n-]n2)cc1 ZINC000826068243 583876631 /nfs/dbraw/zinc/87/66/31/583876631.db2.gz PPWCSKLCXJIJAJ-UHFFFAOYSA-N -2 1 348.348 -0.250 20 0 EBADML Cc1cnc(N)c(S(=O)(=O)[N-]c2nn(C)cc2-c2nn[n-]n2)c1 ZINC000826318941 583891415 /nfs/dbraw/zinc/89/14/15/583891415.db2.gz GUTCFQCRHRDFEX-UHFFFAOYSA-N -2 1 335.353 -0.313 20 0 EBADML CCC(CC)(CC(=O)[O-])[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000828809984 583947433 /nfs/dbraw/zinc/94/74/33/583947433.db2.gz CKFNCHVNPJKBAN-UHFFFAOYSA-N -2 1 347.393 -0.604 20 0 EBADML CS(=O)(=O)c1n[n-]c(NC(=O)CO[C@@H]2CCCN(C(=O)[O-])C2)n1 ZINC000829701076 583957396 /nfs/dbraw/zinc/95/73/96/583957396.db2.gz XUXXKCGZQGEPTE-SSDOTTSWSA-N -2 1 347.353 -0.694 20 0 EBADML CS(=O)(=O)c1nnc(NC(=O)CO[C@@H]2CCCN(C(=O)[O-])C2)[n-]1 ZINC000829701076 583957398 /nfs/dbraw/zinc/95/73/98/583957398.db2.gz XUXXKCGZQGEPTE-SSDOTTSWSA-N -2 1 347.353 -0.694 20 0 EBADML Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-] ZINC000830785277 583970846 /nfs/dbraw/zinc/97/08/46/583970846.db2.gz KSIJJUPWDSBFBI-ONGXEEELSA-N -2 1 349.347 -0.219 20 0 EBADML O=C(COC(=O)[C@H]1COCCN1C(=O)[O-])[N-]C(=O)c1ccccc1 ZINC000831497328 583983824 /nfs/dbraw/zinc/98/38/24/583983824.db2.gz CAFXAWONYMKBDU-LLVKDONJSA-N -2 1 336.300 -0.135 20 0 EBADML O=C([O-])N1CCO[C@@H](C(=O)OCCC[N-]C(=O)C(F)(F)F)C1 ZINC000834286138 584030517 /nfs/dbraw/zinc/03/05/17/584030517.db2.gz VNCGXWWFRNOLSE-SSDOTTSWSA-N -2 1 328.243 -0.023 20 0 EBADML Cn1[n-]cc2c(=NC(=O)C(=O)NCC3(C(=O)[O-])CCC3)ccnc1-2 ZINC000850799739 584188117 /nfs/dbraw/zinc/18/81/17/584188117.db2.gz JIHCRRLIZLJURV-UHFFFAOYSA-N -2 1 331.332 -0.349 20 0 EBADML O=C([O-])[C@@H](CNC(=O)CCn1cc[n-]c(=O)c1=O)c1ccccc1 ZINC000738460564 601082057 /nfs/dbraw/zinc/08/20/57/601082057.db2.gz YHILGLVGTTULFP-LBPRGKRZSA-N -2 1 331.328 -0.089 20 0 EBADML C[C@@H](NC(=O)CCn1cc[n-]c(=O)c1=O)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738957215 602188728 /nfs/dbraw/zinc/18/87/28/602188728.db2.gz BKAQCSDIATUWFX-GHMZBOCLSA-N -2 1 338.364 -0.179 20 0 EBADML CSCC[C@@H](NC(=O)[O-])C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000740014781 602500398 /nfs/dbraw/zinc/50/03/98/602500398.db2.gz BZUSCZXTLNDRDO-SFYZADRCSA-N -2 1 330.370 -0.511 20 0 EBADML Cc1o[n-]c(=N)c1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)F)C1 ZINC000650424859 650030178 /nfs/dbraw/zinc/03/01/78/650030178.db2.gz OFSMDUQBLVHRMC-PHDIDXHHSA-N -2 1 325.293 -0.018 20 0 EBADML CO[N-]C(=O)CNC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000927213317 651499126 /nfs/dbraw/zinc/49/91/26/651499126.db2.gz AWJWSUQQIPPUFP-UHFFFAOYSA-N -2 1 340.302 -0.236 20 0 EBADML Cc1n[nH]c(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)CC[C@H]2C)c1[O-] ZINC000965915432 724539601 /nfs/dbraw/zinc/53/96/01/724539601.db2.gz BPZZSGPRDAJGGA-PSASIEDQSA-N -2 1 349.395 -0.514 20 0 EBADML Cc1n[nH]c(C(=O)NC[C@@H]2CCCN2Cc2nc(=O)n(C)[n-]2)c1[O-] ZINC001027832604 730241482 /nfs/dbraw/zinc/24/14/82/730241482.db2.gz GZSYDHBOUNCJQX-VIFPVBQESA-N -2 1 335.368 -0.760 20 0 EBADML Cc1n[nH]c(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2C)c1[O-] ZINC001079578032 811596195 /nfs/dbraw/zinc/59/61/95/811596195.db2.gz YFFXKLOJTICDPL-VXNVDRBHSA-N -2 1 335.368 -0.904 20 0 EBADML C[C@@H]1OCc2c1nc(=O)[nH]c2OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001227717123 811940348 /nfs/dbraw/zinc/94/03/48/811940348.db2.gz XHSXCRXFDCILGN-UJURSFKZSA-N -2 1 336.193 -0.851 20 0 EBADML COC(=O)CS(=O)(=O)NC1([P@](=O)([O-])O)Cc2ccccc2C1 ZINC001259030052 812805047 /nfs/dbraw/zinc/80/50/47/812805047.db2.gz LYSBFZKIFUAKHY-UHFFFAOYSA-N -2 1 349.301 -0.248 20 0 EBADML C[C@]1(CO)CCN(C(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])C[C@@H]1O ZINC001148917532 830555317 /nfs/dbraw/zinc/55/53/17/830555317.db2.gz VZBIEXDTJGQZRY-GXTWGEPZSA-N -2 1 345.373 -0.156 20 0 EBADML O=C([O-])COc1ccc(S(=O)(=O)NCC[P@@](=O)([O-])O)cc1 ZINC001192741245 834723862 /nfs/dbraw/zinc/72/38/62/834723862.db2.gz XYFNOJSCJSDCRD-UHFFFAOYSA-N -2 1 339.262 -0.394 20 0 EBADML CCOC(=O)c1n[n-]nc1[C@H]1CCCN1C(=O)[C@@H](OC)C(=O)[O-] ZINC001591280414 951127899 /nfs/dbraw/zinc/12/78/99/951127899.db2.gz RKTDDCHUBVUPMC-GMSGAONNSA-N -2 1 326.309 -0.256 20 0 EBADML O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)[C@H]1C[C@@H](O)C1 ZINC001594888797 954493802 /nfs/dbraw/zinc/49/38/02/954493802.db2.gz ILUWZWVCTUCOJO-BZNPZCIMSA-N -2 1 338.282 -0.120 20 0 EBADML CO[C@H](C(=O)[O-])C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC001593912726 955984250 /nfs/dbraw/zinc/98/42/50/955984250.db2.gz NALAULZUEVVLFG-NSHDSACASA-N -2 1 344.345 -0.129 20 0 EBADML COc1ccc(-n2cc([O-])c(C(=O)OCC(=O)NCC(=O)[O-])n2)cc1 ZINC001594073428 958196090 /nfs/dbraw/zinc/19/60/90/958196090.db2.gz CGKIWBGRSMQJMP-UHFFFAOYSA-N -2 1 349.299 -0.056 20 0 EBADML Cn1ncc(S(=O)(=O)[N-]C[C@@](C)(O)C(=O)[O-])c1C(F)(F)F ZINC001574473418 961625218 /nfs/dbraw/zinc/62/52/18/961625218.db2.gz QBBRFYPZTZNQHU-MRVPVSSYSA-N -2 1 331.272 -0.447 20 0 EBADML C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cc(C(=O)[O-])nn2C)o1 ZINC001571179265 962136177 /nfs/dbraw/zinc/13/61/77/962136177.db2.gz KFPRIAHAMMPUHX-UHFFFAOYSA-N -2 1 328.306 -0.128 20 0 EBADML COC(=O)c1cc(S(=O)(=O)N[C@]2(C(=O)[O-])CCSC2)[n-]n1 ZINC001571223758 962565851 /nfs/dbraw/zinc/56/58/51/962565851.db2.gz LLTDHVSEAQEXOC-SNVBAGLBSA-N -2 1 335.363 -0.565 20 0 EBADML COC(=O)c1cc(S(=O)(=O)N[C@]2(C(=O)[O-])CCSC2)n[n-]1 ZINC001571223758 962565862 /nfs/dbraw/zinc/56/58/62/962565862.db2.gz LLTDHVSEAQEXOC-SNVBAGLBSA-N -2 1 335.363 -0.565 20 0 EBADML O=C([O-])c1cn(CC(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)nn1 ZINC001571227625 962599966 /nfs/dbraw/zinc/59/99/66/962599966.db2.gz BUSBYTYTKXOFMN-UHFFFAOYSA-N -2 1 335.242 -0.887 20 0 EBADML COc1ccc(C(=O)[N-]C(=O)COC(=O)[C@](C)(OC)C(=O)[O-])cc1 ZINC001604762813 973979626 /nfs/dbraw/zinc/97/96/26/973979626.db2.gz VWYYMADNKGQYID-OAHLLOKOSA-N -2 1 339.300 -0.016 20 0 EBADML C[C@](CC(=O)[O-])(NC(=O)CCn1cc[n-]c(=O)c1=O)c1ccccn1 ZINC001592282266 977583504 /nfs/dbraw/zinc/58/35/04/977583504.db2.gz HDFQMVWFGFEZKO-MRXNPFEDSA-N -2 1 346.343 -0.172 20 0 EBADML CC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O)C(=O)[O-] ZINC001594954020 982683957 /nfs/dbraw/zinc/68/39/57/982683957.db2.gz YFQGYMJGIUQHGY-HTQZYQBOSA-N -2 1 333.366 -0.346 20 0 EBADML O=C([O-])[C@@H](O)C[N-]S(=O)(=O)c1ccc(Br)nc1F ZINC001574924706 983288305 /nfs/dbraw/zinc/28/83/05/983288305.db2.gz JDOSKZYSLCKDGQ-BYPYZUCNSA-N -2 1 343.130 -0.293 20 0 EBADML CCOC(=O)[C@H](CO)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1 ZINC001596535398 984368498 /nfs/dbraw/zinc/36/84/98/984368498.db2.gz RTCREBGBMHQPGN-LURJTMIESA-N -2 1 341.725 -0.167 20 0 EBADML CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@]1(C(=O)[O-])CCSC1 ZINC001596735181 985021665 /nfs/dbraw/zinc/02/16/65/985021665.db2.gz JHTKDABBORPKGL-NSHDSACASA-N -2 1 349.390 -0.175 20 0 EBADML CSc1ncc(C(=O)N2CC(=O)N(C)C[C@H]2C(=O)[O-])c(=O)[n-]1 ZINC001599828603 988635176 /nfs/dbraw/zinc/63/51/76/988635176.db2.gz WHWXIRAGGKGIOH-ZETCQYMHSA-N -2 1 326.334 -0.729 20 0 EBADML CC(C)N(CCCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])Cc1n[nH]c(=O)[n-]1 ZINC001591590749 992802574 /nfs/dbraw/zinc/80/25/74/992802574.db2.gz GELSILPWJGNNQK-NXEZZACHSA-N -2 1 325.369 -0.052 20 0 EBADML C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](OC)C[C@]2(C)C(=O)[O-])co1 ZINC001598673259 994796637 /nfs/dbraw/zinc/79/66/37/994796637.db2.gz KDMXSGJAWZYUBZ-NOZJJQNGSA-N -2 1 346.361 -0.108 20 0 EBADML COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC1(C(=O)[O-])CCSCC1 ZINC001599328805 997711441 /nfs/dbraw/zinc/71/14/41/997711441.db2.gz KVARMHDBIXWJJY-UHFFFAOYSA-N -2 1 329.334 -0.023 20 0 EBADML Cc1cc(C(=O)N2C[C@H](O)C[C@]2(C)CO)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC001363098109 1131783746 /nfs/dbraw/zinc/78/37/46/1131783746.db2.gz BWCUTJSJOOIKOJ-ANRSDYALSA-N -2 1 334.332 -0.298 20 0 EBADML Cc1cc(C(=O)N2C[C@H](CO)[C@@H](CCO)C2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC001365157245 1132563126 /nfs/dbraw/zinc/56/31/26/1132563126.db2.gz DQUHQSIOISLLFY-VHSXEESVSA-N -2 1 348.359 -0.193 20 0 EBADML COC(=O)c1coc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(=O)[O-])c1 ZINC000274986074 379729563 /nfs/dbraw/zinc/72/95/63/379729563.db2.gz MDCFZRPSQLDQIU-LURJTMIESA-N -3 1 335.290 -0.480 20 0 EBADML C[C@@H](CC(C)(C)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000275302260 379748319 /nfs/dbraw/zinc/74/83/19/379748319.db2.gz VQBYJDUCBTYVEZ-QMMMGPOBSA-N -2 1 347.393 -0.748 20 0 EBADML C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@](OC)(C(=O)[O-])C2)o1 ZINC000630252664 380023494 /nfs/dbraw/zinc/02/34/94/380023494.db2.gz NXEQPLWRUJHORT-GFCCVEGCSA-N -2 1 332.334 -0.497 20 0 EBADML NC(=O)C[C@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)C(=O)[O-] ZINC000547559095 380145953 /nfs/dbraw/zinc/14/59/53/380145953.db2.gz ZHDBGCWTCZHQBV-ZETCQYMHSA-N -2 1 326.252 -0.289 20 0 EBADML O=C([O-])CNC(=O)C[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000548197701 380188279 /nfs/dbraw/zinc/18/82/79/380188279.db2.gz HGAHGWGMOILZQL-UHFFFAOYSA-N -2 1 326.252 -0.417 20 0 EBADML Cc1cc(C(=O)N2C[C@H](CO)O[C@@H](C)C2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000347533242 381231421 /nfs/dbraw/zinc/23/14/21/381231421.db2.gz PCSUJEGXESBFBX-DTWKUNHWSA-N -2 1 334.332 -0.034 20 0 EBADML CCN(C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1)[C@H]1CC(=O)NC1=O ZINC000531056195 419045440 /nfs/dbraw/zinc/04/54/40/419045440.db2.gz AMJFKZRSZNBQNJ-QMMMGPOBSA-N -2 1 345.315 -0.378 20 0 EBADML Cc1onc(N)c1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1cnn(C)c1C ZINC000566311607 420660970 /nfs/dbraw/zinc/66/09/70/420660970.db2.gz HCRNSLVKXGWPMJ-MRVPVSSYSA-N -2 1 329.338 -0.289 20 0 EBADML C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](C(=O)[O-])C2CCOCC2)o1 ZINC000668308472 545655254 /nfs/dbraw/zinc/65/52/54/545655254.db2.gz BFURZYWAEFPEPU-LLVKDONJSA-N -2 1 346.361 -0.203 20 0 EBADML CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@]2(C(=O)[O-])CCOC2)o1 ZINC000367136072 545893269 /nfs/dbraw/zinc/89/32/69/545893269.db2.gz TZZKQTGMUKKKNH-LBPRGKRZSA-N -2 1 333.318 -0.022 20 0 EBADML COC(=O)COCCNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000600400236 582755936 /nfs/dbraw/zinc/75/59/36/582755936.db2.gz CIMFJCUPLIVXBK-UHFFFAOYSA-N -2 1 336.304 -0.336 20 0 EBADML CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)C(=O)NCc1nn[n-]n1 ZINC000736487213 582935580 /nfs/dbraw/zinc/93/55/80/582935580.db2.gz INCWYABVNSCWJU-UHFFFAOYSA-N -2 1 348.319 -0.060 20 0 EBADML C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cnn(CC(=O)[O-])c2)o1 ZINC000737559692 583015671 /nfs/dbraw/zinc/01/56/71/583015671.db2.gz VQQDCYUIJZMCAX-UHFFFAOYSA-N -2 1 328.306 -0.279 20 0 EBADML O=C([N-]S(=O)(=O)c1cnccn1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823284391 583827636 /nfs/dbraw/zinc/82/76/36/583827636.db2.gz GIBACQKBIHPQDR-UHFFFAOYSA-N -2 1 332.305 -0.830 20 0 EBADML O=C([N-]S(=O)(=O)c1cnccn1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823284391 583827638 /nfs/dbraw/zinc/82/76/38/583827638.db2.gz GIBACQKBIHPQDR-UHFFFAOYSA-N -2 1 332.305 -0.830 20 0 EBADML Cc1nn2c(SCc3ccnc(-c4nnn[n-]4)c3)n[n-]c2nc1=O ZINC000826334908 583891854 /nfs/dbraw/zinc/89/18/54/583891854.db2.gz OTYXEJNPNIHCBG-UHFFFAOYSA-N -2 1 342.348 -0.012 20 0 EBADML Cc1nn2c(SCc3ccnc(-c4nn[n-]n4)c3)n[n-]c2nc1=O ZINC000826334908 583891856 /nfs/dbraw/zinc/89/18/56/583891856.db2.gz OTYXEJNPNIHCBG-UHFFFAOYSA-N -2 1 342.348 -0.012 20 0 EBADML O=C([O-])N1CCC2(C[C@H]2C(=O)N2CCO[C@H](c3nn[n-]n3)C2)CC1 ZINC000834086227 584026088 /nfs/dbraw/zinc/02/60/88/584026088.db2.gz CEHOQVYHBTYXQN-UWVGGRQHSA-N -2 1 336.352 -0.120 20 0 EBADML O=C([O-])CCC(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000851702969 584200693 /nfs/dbraw/zinc/20/06/93/584200693.db2.gz NVPZAONXIIZNFF-IMTBSYHQSA-N -3 1 340.254 -0.026 20 0 EBADML Cc1cc(C(=O)N(CC[NH+](C)C)CC(=O)[O-])[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000740054668 597075622 /nfs/dbraw/zinc/07/56/22/597075622.db2.gz USVJNPNXLLQLHV-UHFFFAOYSA-N -2 1 349.347 -0.167 20 0 EBADML CN(CCN1CCN(C(=O)[O-])CC1)Cc1cc(=O)n2[n-]ccc2n1 ZINC000739685346 602868734 /nfs/dbraw/zinc/86/87/34/602868734.db2.gz VKMKXMZMCGRTAV-UHFFFAOYSA-N -2 1 334.380 -0.250 20 0 EBADML Cc1onc(N)c1S(=O)(=O)[N-]CCCCn1cc(C(=O)[O-])nn1 ZINC000576827578 650015059 /nfs/dbraw/zinc/01/50/59/650015059.db2.gz VZNFKATYCGWIHM-UHFFFAOYSA-N -2 1 344.353 -0.386 20 0 EBADML COC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H](C[C@H]1CCOC1)C(=O)[O-] ZINC000912558473 650208956 /nfs/dbraw/zinc/20/89/56/650208956.db2.gz NLKOOIBBMWPENU-VXNVDRBHSA-N -2 1 347.349 -0.646 20 0 EBADML O=C([O-])N(CC(=O)N1CCO[C@H](c2nn[n-]n2)C1)C[C@H]1CCCO1 ZINC000740491536 719420368 /nfs/dbraw/zinc/42/03/68/719420368.db2.gz LZUXLSRYFQWAMY-ZJUUUORDSA-N -2 1 340.340 -0.741 20 0 EBADML Cc1[nH]nc(C(=O)N(CCO)CCNC(=O)c2ncccc2[O-])c1[O-] ZINC001057353744 737183848 /nfs/dbraw/zinc/18/38/48/737183848.db2.gz DSFDFYIGCQFZAC-UHFFFAOYSA-N -2 1 349.347 -0.611 20 0 EBADML CC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000400634887 803777340 /nfs/dbraw/zinc/77/73/40/803777340.db2.gz MBGCUBBXTVUSCN-BDAKNGLRSA-N -2 1 347.393 -0.748 20 0 EBADML O=C([O-])C[C@@H](C(=O)OCCCC[P@](=O)([O-])O)[C@@H](O)C(=O)[O-] ZINC001225018697 811787707 /nfs/dbraw/zinc/78/77/07/811787707.db2.gz FTAYTEYNSCQZKK-HTRCEHHLSA-N -3 1 328.210 -0.976 20 0 EBADML CCc1cnc(=S)[n-]c1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001227064965 811902416 /nfs/dbraw/zinc/90/24/16/811902416.db2.gz XRTOTOZKAXSWFG-SVRRBLITSA-N -3 1 330.318 -0.231 20 0 EBADML O=C([O-])C[C@@H](C(=O)Oc1[nH]c(=S)nc2nc[n-]c21)[C@H](O)C(=O)[O-] ZINC001227615760 811931380 /nfs/dbraw/zinc/93/13/80/811931380.db2.gz FFQKRDYJMLNKJW-CVYQJGLWSA-N -3 1 342.289 -0.917 20 0 EBADML O=S(=O)([O-])C[C@H](CN1CCOCC1)Oc1cnnc(=S)[n-]1 ZINC001228641705 811993592 /nfs/dbraw/zinc/99/35/92/811993592.db2.gz HOLZKVHWHUPHLZ-QMMMGPOBSA-N -2 1 336.395 -0.872 20 0 EBADML Cn1[n-]nnc1=NC(=O)c1n[nH]c2c1CN(Cc1ncccc1[O-])C2 ZINC001277315350 817550129 /nfs/dbraw/zinc/55/01/29/817550129.db2.gz HTNBXISSSKIJRP-UHFFFAOYSA-N -2 1 341.335 -0.776 20 0 EBADML C[C@@]1(CNC(=O)c2ncccc2[O-])CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001107890031 824020936 /nfs/dbraw/zinc/02/09/36/824020936.db2.gz ICBMNCIMYZQFFI-OAHLLOKOSA-N -2 1 348.363 -0.368 20 0 EBADML CN1CCOC[C@@H]1CNC(=O)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001148927701 830556971 /nfs/dbraw/zinc/55/69/71/830556971.db2.gz REMHCOFCRHWOHV-VIFPVBQESA-N -2 1 330.362 -0.301 20 0 EBADML C[C@@H]1CCNC(=O)[C@@H]1NCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001576213474 950628147 /nfs/dbraw/zinc/62/81/47/950628147.db2.gz ARGPMVLLNWYGNI-RDDDGLTNSA-N -2 1 343.351 -0.771 20 0 EBADML C[C@H]1CCNC(=O)[C@H]1NCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001576213472 950629252 /nfs/dbraw/zinc/62/92/52/950629252.db2.gz ARGPMVLLNWYGNI-CPCISQLKSA-N -2 1 343.351 -0.771 20 0 EBADML CCOC(=O)c1nc([C@H](C)NC(=O)[C@@]2(C(=O)[O-])CCCO2)n[n-]1 ZINC001591278980 951110531 /nfs/dbraw/zinc/11/05/31/951110531.db2.gz CSGGTNFGBWHKDN-WPPNPWJKSA-N -2 1 326.309 -0.208 20 0 EBADML CCOC(=O)c1n[n-]c([C@H](C)NC(=O)[C@@]2(C(=O)[O-])CCCO2)n1 ZINC001591278980 951110539 /nfs/dbraw/zinc/11/05/39/951110539.db2.gz CSGGTNFGBWHKDN-WPPNPWJKSA-N -2 1 326.309 -0.208 20 0 EBADML O=C([O-])COc1cccc(C(=O)N2CCC(O)(c3nn[n-]n3)CC2)c1 ZINC001595120410 951972214 /nfs/dbraw/zinc/97/22/14/951972214.db2.gz ZCBNDWZDNUZNJU-UHFFFAOYSA-N -2 1 347.331 -0.213 20 0 EBADML C[C@@H](CN(C)C(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1)c1nn[n-]n1 ZINC001589022122 955480247 /nfs/dbraw/zinc/48/02/47/955480247.db2.gz KWBOHMFQWVNOFK-QMMMGPOBSA-N -2 1 345.381 -0.959 20 0 EBADML COC(=O)c1cc(S(=O)(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)[n-]n1 ZINC001593875369 955661767 /nfs/dbraw/zinc/66/17/67/955661767.db2.gz MULMSRQGRWGBDI-YUMQZZPRSA-N -2 1 331.350 -0.072 20 0 EBADML COC(=O)c1cc(S(=O)(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)n[n-]1 ZINC001593875369 955661774 /nfs/dbraw/zinc/66/17/74/955661774.db2.gz MULMSRQGRWGBDI-YUMQZZPRSA-N -2 1 331.350 -0.072 20 0 EBADML CC(C)Cn1[n-]c(CC(=O)N[C@H](Cc2cnc[nH]2)C(=O)[O-])cc1=O ZINC001571224241 962569394 /nfs/dbraw/zinc/56/93/94/962569394.db2.gz QAEZHXPIWQMXMD-GFCCVEGCSA-N -2 1 335.364 -0.090 20 0 EBADML COC(=O)[C@H](CC(F)(F)F)[N-]S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001604268609 972818405 /nfs/dbraw/zinc/81/84/05/972818405.db2.gz VYUQVJUZCGSIDW-BQBZGAKWSA-N -2 1 348.299 -0.136 20 0 EBADML COC(=O)c1cc(S(=O)(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)[n-]n1 ZINC001604375818 973092295 /nfs/dbraw/zinc/09/22/95/973092295.db2.gz AJQBWUGXPNFEHG-JGVFFNPUSA-N -2 1 331.350 -0.072 20 0 EBADML COC(=O)c1cc(S(=O)(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)n[n-]1 ZINC001604375818 973092303 /nfs/dbraw/zinc/09/23/03/973092303.db2.gz AJQBWUGXPNFEHG-JGVFFNPUSA-N -2 1 331.350 -0.072 20 0 EBADML COc1ccc(C(=O)[N-]C(=O)COC(=O)[C@@](C)(OC)C(=O)[O-])cc1 ZINC001604762812 973979454 /nfs/dbraw/zinc/97/94/54/973979454.db2.gz VWYYMADNKGQYID-HNNXBMFYSA-N -2 1 339.300 -0.016 20 0 EBADML CCC(CC)(C[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O)C(=O)[O-] ZINC001595084224 979374711 /nfs/dbraw/zinc/37/47/11/979374711.db2.gz KJEVWWGNDUFYKJ-UHFFFAOYSA-N -2 1 333.366 -0.345 20 0 EBADML C[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H](C(=O)[O-])[C@H]2CCOC2)co1 ZINC001598673453 994798907 /nfs/dbraw/zinc/79/89/07/994798907.db2.gz ODBZUXQGSVRDJZ-WCBMZHEXSA-N -2 1 346.361 -0.345 20 0 EBADML COC(=O)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001598696371 995143825 /nfs/dbraw/zinc/14/38/25/995143825.db2.gz BTKCEJDJEVXZOI-YFKPBYRVSA-N -2 1 345.255 -0.120 20 0 EBADML COCC[C@H]([N-]S(=O)(=O)c1nc[nH]c1Br)C(=O)[O-] ZINC001599218051 997617224 /nfs/dbraw/zinc/61/72/24/997617224.db2.gz CUXWJOZIYRTXAQ-YFKPBYRVSA-N -2 1 342.171 -0.060 20 0 EBADML CO[C@@H]1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)[C@H](C(=O)[O-])C1 ZINC001599118242 997691969 /nfs/dbraw/zinc/69/19/69/997691969.db2.gz AGKRDZMXLRNTJV-ZJUUUORDSA-N -2 1 325.321 -0.983 20 0 EBADML COC(=O)c1cc(S(=O)(=O)N2CC[C@@H](OC)C[C@@H]2C(=O)[O-])[n-]n1 ZINC001598952565 998182049 /nfs/dbraw/zinc/18/20/49/998182049.db2.gz YQZSCQUZJQYOIE-VXNVDRBHSA-N -2 1 347.349 -0.551 20 0 EBADML COC(=O)c1cc(S(=O)(=O)N2CC[C@@H](OC)C[C@@H]2C(=O)[O-])n[n-]1 ZINC001598952565 998182056 /nfs/dbraw/zinc/18/20/56/998182056.db2.gz YQZSCQUZJQYOIE-VXNVDRBHSA-N -2 1 347.349 -0.551 20 0 EBADML COC(=O)c1c[nH]nc1S(=O)(=O)[N-]C[C@H](C(=O)[O-])[C@@H]1CCOC1 ZINC001599007211 998865471 /nfs/dbraw/zinc/86/54/71/998865471.db2.gz GJQCBBRBAKAQJC-SFYZADRCSA-N -2 1 347.349 -0.788 20 0 EBADML CO[C@H](CS(=O)(=O)[N-]c1nnc(CC(=O)[O-])[nH]1)[C@H]1CCOC1 ZINC001599060589 999262492 /nfs/dbraw/zinc/26/24/92/999262492.db2.gz VHHKBAHILZAAFQ-JGVFFNPUSA-N -2 1 334.354 -0.775 20 0 EBADML Cc1cc(C(=O)N[C@H](CO)[C@@H]2CCOC2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC001362309771 1131557581 /nfs/dbraw/zinc/55/75/81/1131557581.db2.gz WMXWKIGEVVDMQZ-PSASIEDQSA-N -2 1 334.332 -0.128 20 0 EBADML Cn1cc(C[C@@H]([N-]S(=O)(=O)c2ncn(C)c2Cl)C(=O)[O-])cn1 ZINC000275281998 379749604 /nfs/dbraw/zinc/74/96/04/379749604.db2.gz OHGJLDWBTQTGAY-MRVPVSSYSA-N -2 1 347.784 -0.219 20 0 EBADML COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H]2CCOC2)o1 ZINC000547553085 380144016 /nfs/dbraw/zinc/14/40/16/380144016.db2.gz AHDQRLCZIPGYMQ-XVKPBYJWSA-N -2 1 333.318 -0.166 20 0 EBADML C[C@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000547564851 380145589 /nfs/dbraw/zinc/14/55/89/380145589.db2.gz FMWLMPOADWVVFM-SECBINFHSA-N -2 1 347.393 -0.604 20 0 EBADML CC(F)(F)C[N-]S(=O)(=O)CCCS(=O)(=O)[N-]c1nc[nH]n1 ZINC000582915977 381086436 /nfs/dbraw/zinc/08/64/36/381086436.db2.gz JXBWMQDKVOZZNP-UHFFFAOYSA-N -2 1 347.369 -0.489 20 0 EBADML Cc1cc(C(=O)N2CCn3nncc3C2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000583638756 381608890 /nfs/dbraw/zinc/60/88/90/381608890.db2.gz IQQZEIURIMVVLB-UHFFFAOYSA-N -2 1 327.304 -0.008 20 0 EBADML Cc1cc(C(=O)N2CCN(C(=O)CO)CC2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000351459363 381624998 /nfs/dbraw/zinc/62/49/98/381624998.db2.gz KHJZEIFAVUFOGH-UHFFFAOYSA-N -2 1 347.331 -0.979 20 0 EBADML CCC[C@@H](NC(=O)c1cc(S(N)(=O)=O)ccc1[O-])c1nn[n-]n1 ZINC000612062348 381776651 /nfs/dbraw/zinc/77/66/51/381776651.db2.gz VNFYAGGWCHDYRX-SECBINFHSA-N -2 1 340.365 -0.176 20 0 EBADML C[C@H](NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)C(=O)[O-] ZINC000261637488 154195611 /nfs/dbraw/zinc/19/56/11/154195611.db2.gz FPMRRVFHCCCTRD-LURJTMIESA-N -2 1 340.354 -0.051 20 0 EBADML CC(C)C[C@H](C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000261774364 154201736 /nfs/dbraw/zinc/20/17/36/154201736.db2.gz RDGGNTKNOGBOET-SECBINFHSA-N -2 1 347.393 -0.891 20 0 EBADML C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@H](OC)C[C@@H]2C(=O)[O-])o1 ZINC000262089522 154212094 /nfs/dbraw/zinc/21/20/94/154212094.db2.gz CGDWMODHESVJIX-HTQZYQBOSA-N -2 1 332.334 -0.498 20 0 EBADML Cn1cc(S(=O)(=O)[N-]CCCCCC(=O)[O-])c(=O)n(C)c1=O ZINC000267170189 154367757 /nfs/dbraw/zinc/36/77/57/154367757.db2.gz UHAXLDKYLHKRRG-UHFFFAOYSA-N -2 1 333.366 -0.993 20 0 EBADML C[N-]S(=O)(=O)c1ccc(C(=O)NCc2cnc(C)[nH]c2=O)o1 ZINC000345124439 156305298 /nfs/dbraw/zinc/30/52/98/156305298.db2.gz LDPFQPUQSMLSNA-UHFFFAOYSA-N -2 1 326.334 -0.078 20 0 EBADML CO[C@@H](CS(=O)(=O)[N-]c1cnn(C)c1C(=O)[O-])[C@H]1CCOC1 ZINC000656626677 420899218 /nfs/dbraw/zinc/89/92/18/420899218.db2.gz NVFUKOPNJKTVQN-WPRPVWTQSA-N -2 1 333.366 -0.089 20 0 EBADML Cc1cc(C(=O)N2CCOC[C@@H]2C(=O)[O-])[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000663028098 421123011 /nfs/dbraw/zinc/12/30/11/421123011.db2.gz QMQRFMSNLSIVHJ-MRVPVSSYSA-N -3 1 334.288 -0.330 20 0 EBADML CC[C@@](C)(NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)C(=O)[O-] ZINC000736861718 582964407 /nfs/dbraw/zinc/96/44/07/582964407.db2.gz ULQRAHCYOHXLDG-GFCCVEGCSA-N -2 1 347.349 -0.974 20 0 EBADML CN(Cc1ccc(NC(=O)C(=O)NCc2nn[n-]n2)cc1)C(=O)[O-] ZINC000737476494 583009078 /nfs/dbraw/zinc/00/90/78/583009078.db2.gz AUGDQNXPCJWTDP-UHFFFAOYSA-N -2 1 333.308 -0.436 20 0 EBADML Cn1cnc(S(=O)(=O)[N-]c2n[nH]cc2-c2nn[n-]n2)c1Cl ZINC000826364795 583894775 /nfs/dbraw/zinc/89/47/75/583894775.db2.gz LHNJGZGBIPWXGL-UHFFFAOYSA-N -2 1 329.733 -0.223 20 0 EBADML CS(=O)(=O)c1n[n-]c(NC(=O)C[C@@H]2CSCCN2C(=O)[O-])n1 ZINC000829699851 583957376 /nfs/dbraw/zinc/95/73/76/583957376.db2.gz NXBWWAIZSJGBJS-ZCFIWIBFSA-N -2 1 349.394 -0.368 20 0 EBADML O=C([O-])CCN(Cc1ccncc1)C(=O)CCn1cc[n-]c(=O)c1=O ZINC000833234618 584007457 /nfs/dbraw/zinc/00/74/57/584007457.db2.gz MMXCJCPNRXWIEB-UHFFFAOYSA-N -2 1 346.343 -0.175 20 0 EBADML NS(=O)(=O)[C@@H]1CCN(C(=O)c2ccc(NC(=O)[O-])cc2[O-])C1 ZINC000833986849 584023163 /nfs/dbraw/zinc/02/31/63/584023163.db2.gz UUNQWEKWJBPYML-MRVPVSSYSA-N -2 1 329.334 -0.015 20 0 EBADML C[C@@H]1CCN(C(=O)C(=O)N=c2ccnc3n(C)[n-]cc2-3)C[C@@H]1C(=O)[O-] ZINC000843046082 584070070 /nfs/dbraw/zinc/07/00/70/584070070.db2.gz MWXKSUOIOPUVLB-KOLCDFICSA-N -2 1 345.359 -0.151 20 0 EBADML CCNC(=O)CN1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000852733809 584214890 /nfs/dbraw/zinc/21/48/90/584214890.db2.gz ZNTWBSTZFXMPAY-APPZFPTMSA-N -2 1 325.287 -0.281 20 0 EBADML O=C([O-])c1ccc(CCNC(=O)CCn2cc[n-]c(=O)c2=O)cc1 ZINC000739266508 599782581 /nfs/dbraw/zinc/78/25/81/599782581.db2.gz BKVDRZRBOFMCNJ-UHFFFAOYSA-N -2 1 331.328 -0.016 20 0 EBADML O=C([O-])[C@H](Cc1ccccc1)NC(=O)CCn1cc[n-]c(=O)c1=O ZINC000738460278 599954795 /nfs/dbraw/zinc/95/47/95/599954795.db2.gz RTGZRHSSNIQIHP-LBPRGKRZSA-N -2 1 331.328 -0.261 20 0 EBADML O=C([O-])NCCOc1cccc(NC(=O)C(=O)NCc2nn[n-]n2)c1 ZINC000740671037 602763657 /nfs/dbraw/zinc/76/36/57/602763657.db2.gz NZQYUHOGIIEKKZ-UHFFFAOYSA-N -2 1 349.307 -0.899 20 0 EBADML O=C(NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1)c1ncccc1[O-] ZINC001050892198 734991277 /nfs/dbraw/zinc/99/12/77/734991277.db2.gz TVIVDTBDCNKXLO-SECBINFHSA-N -2 1 334.336 -0.758 20 0 EBADML Cc1n[nH]c(C(=O)N[C@@H]2CC[C@@H](C)N(Cc3nc(=O)n(C)[n-]3)C2)c1[O-] ZINC001071435443 741135971 /nfs/dbraw/zinc/13/59/71/741135971.db2.gz WZUXMURYYLOGFC-PSASIEDQSA-N -2 1 349.395 -0.372 20 0 EBADML C[N-]S(=O)(=O)c1ccc(C(=O)NCCc2n[n-]c(=S)o2)o1 ZINC001255223265 812711018 /nfs/dbraw/zinc/71/10/18/812711018.db2.gz FHHZDJARFFVNAF-UHFFFAOYSA-N -2 1 332.363 -0.168 20 0 EBADML O=C(c1cc(S(=O)(=O)[O-])ccc1[O-])N1CC[C@@H](O)[C@H](CO)C1 ZINC001148916710 830555864 /nfs/dbraw/zinc/55/58/64/830555864.db2.gz CXFSJQHLKIMPQO-GZMMTYOYSA-N -2 1 331.346 -0.546 20 0 EBADML O=C(NCCOP(=O)([O-])[O-])c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001148927224 830557604 /nfs/dbraw/zinc/55/76/04/830557604.db2.gz IRAYBXCFMOSYBU-UHFFFAOYSA-N -4 1 341.234 -0.522 20 0 EBADML CC1(C)C(=O)NC[C@H]1NC(=O)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001148933814 830558059 /nfs/dbraw/zinc/55/80/59/830558059.db2.gz OANBJUNRJJGVAO-SNVBAGLBSA-N -2 1 328.346 -0.107 20 0 EBADML O=C([O-])c1cc(C(=O)NCc2c[nH]nn2)cc(S(=O)(=O)[O-])c1 ZINC001189933048 834208969 /nfs/dbraw/zinc/20/89/69/834208969.db2.gz HGLQHVOAWYIQRK-UHFFFAOYSA-N -2 1 326.290 -0.320 20 0 EBADML C[C@H]1[C@H](NC(=O)c2c(F)ccc([O-])c2F)C(=O)N1S(=O)(=O)[O-] ZINC001192551033 834687465 /nfs/dbraw/zinc/68/74/65/834687465.db2.gz AQXFFYVJLFKCGP-IGJIYHIXSA-N -2 1 336.272 -0.198 20 0 EBADML CC(C)([N-]C(=O)C(F)(F)F)C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001570927851 948718862 /nfs/dbraw/zinc/71/88/62/948718862.db2.gz BCLIFKVLAXTBPS-UHFFFAOYSA-N -2 1 332.246 -0.015 20 0 EBADML O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)[C@H](O)C1CC1 ZINC001594888559 954489498 /nfs/dbraw/zinc/48/94/98/954489498.db2.gz GHZLIDXWITXDQY-HRDYMLBCSA-N -2 1 338.282 -0.120 20 0 EBADML C[N-]S(=O)(=O)c1cc(C(=O)NCC2(C(=O)[O-])CCOCC2)co1 ZINC001593798824 954840153 /nfs/dbraw/zinc/84/01/53/954840153.db2.gz AIBQXGMUSAHGCK-UHFFFAOYSA-N -2 1 346.361 -0.201 20 0 EBADML COC[C@@]1(C(=O)[O-])CCN(C(=O)c2[nH]c(=O)[n-]c(=O)c2OC)C1 ZINC001593963850 956524001 /nfs/dbraw/zinc/52/40/01/956524001.db2.gz RIGXKDXEDLOQFZ-CYBMUJFWSA-N -2 1 327.293 -0.540 20 0 EBADML Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001574298406 960710689 /nfs/dbraw/zinc/71/06/89/960710689.db2.gz AWXADOAYMGDKPN-CPFSXVBKSA-N -2 1 325.346 -0.047 20 0 EBADML Cn1[n-]cc2c(=NC(=O)Cn3cccc(C(=O)[O-])c3=O)ccnc1-2 ZINC001571174301 962085330 /nfs/dbraw/zinc/08/53/30/962085330.db2.gz PWPYSZIEDSWETL-UHFFFAOYSA-N -2 1 327.300 -0.160 20 0 EBADML COC(=O)c1coc(S(=O)(=O)[N-]C[C@H]2CCO[C@H]2C(=O)[O-])c1 ZINC001571208626 962429967 /nfs/dbraw/zinc/42/99/67/962429967.db2.gz UDXHXYBALCLOTH-GMSGAONNSA-N -2 1 333.318 -0.166 20 0 EBADML O=C([O-])CC[C@@H]1C[C@@H](C(=O)N2CCC(O)(c3nn[n-]n3)CC2)CO1 ZINC001574680687 962584170 /nfs/dbraw/zinc/58/41/70/962584170.db2.gz CXLSTIXNHFDEFL-NXEZZACHSA-N -2 1 339.352 -0.720 20 0 EBADML CCS(=O)(CC)=NS(=O)(=O)[N-][C@H](C(=O)[O-])c1ccnn1C ZINC001597246465 987227196 /nfs/dbraw/zinc/22/71/96/987227196.db2.gz SYRKJVLOMREQJP-VIFPVBQESA-N -2 1 338.411 -0.112 20 0 EBADML CC(C)Cn1[n-]c(CC(=O)N2CCO[C@H](c3nn[n-]n3)C2)cc1=O ZINC001362122050 1131519776 /nfs/dbraw/zinc/51/97/76/1131519776.db2.gz FZVYXUYRGJMEDJ-NSHDSACASA-N -2 1 335.368 -0.512 20 0 EBADML Cc1cc(C(=O)NCCNC(=O)N(C)C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000271978016 379554505 /nfs/dbraw/zinc/55/45/05/379554505.db2.gz LOLYVWCBBAOCTB-UHFFFAOYSA-N -2 1 334.336 -0.255 20 0 EBADML COC(=O)c1ccc(S(=O)(=O)[N-][C@H](Cc2c[nH]cn2)C(=O)[O-])o1 ZINC000274912761 379723387 /nfs/dbraw/zinc/72/33/87/379723387.db2.gz LARBKQAMRVPWOQ-MRVPVSSYSA-N -2 1 343.317 -0.237 20 0 EBADML CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(=O)[O-] ZINC000274922987 379723476 /nfs/dbraw/zinc/72/34/76/379723476.db2.gz BNMBOOHCKBGLFP-LURJTMIESA-N -3 1 349.321 -0.960 20 0 EBADML Cc1cc(C(=O)N[C@H](CO)c2cnn(C)c2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000538702187 379979160 /nfs/dbraw/zinc/97/91/60/379979160.db2.gz YTQDAMAXSQBMIN-SNVBAGLBSA-N -2 1 344.331 -0.059 20 0 EBADML C[C@@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000547564856 380145822 /nfs/dbraw/zinc/14/58/22/380145822.db2.gz FMWLMPOADWVVFM-VIFPVBQESA-N -2 1 347.393 -0.604 20 0 EBADML Cn1cc(S(=O)(=O)[N-][C@@]2(C(=O)[O-])CCOC2)c(C(F)(F)F)n1 ZINC000584527781 381177682 /nfs/dbraw/zinc/17/76/82/381177682.db2.gz HPBAYXPSQQWSOZ-VIFPVBQESA-N -2 1 343.283 -0.039 20 0 EBADML Cc1cc(C(=O)NCC[N@H+]2CC[C@@H](O)C2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000629173208 382078899 /nfs/dbraw/zinc/07/88/99/382078899.db2.gz NAKMWQFKTKFYLB-SECBINFHSA-N -2 1 333.348 -0.459 20 0 EBADML C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)o1 ZINC000262206486 154218772 /nfs/dbraw/zinc/21/87/72/154218772.db2.gz KIVIOGTYQUNXCH-APPZFPTMSA-N -2 1 332.334 -0.498 20 0 EBADML C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](C(=O)[O-])[C@H]2CCCOC2)o1 ZINC000262856759 154249319 /nfs/dbraw/zinc/24/93/19/154249319.db2.gz SXMCDRFPBLLUGV-GZMMTYOYSA-N -2 1 346.361 -0.203 20 0 EBADML Cc1cc(C(=O)NC[C@H](C)S(N)(=O)=O)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000359563945 157330966 /nfs/dbraw/zinc/33/09/66/157330966.db2.gz OCEZYXYHZVFMBM-LURJTMIESA-N -2 1 341.349 -0.849 20 0 EBADML C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@]2(COC)C(=O)[O-])o1 ZINC000643850774 419077986 /nfs/dbraw/zinc/07/79/86/419077986.db2.gz ZOUKEYNBNGOEEA-CYBMUJFWSA-N -2 1 346.361 -0.107 20 0 EBADML Cc1cc(C(=O)N[C@H]2C(=O)NCC[C@@H]2C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000281651482 301145257 /nfs/dbraw/zinc/14/52/57/301145257.db2.gz BKBWXXYMUNECDK-QUBYGPBYSA-N -2 1 331.332 -0.001 20 0 EBADML Cn1cc(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(C)(C)C)c(=O)n(C)c1=O ZINC000275056955 302920006 /nfs/dbraw/zinc/92/00/06/302920006.db2.gz UCGOCEWULIYWNY-SECBINFHSA-N -2 1 347.393 -0.748 20 0 EBADML Nc1c(-c2nn[n-]n2)cnn1C(=O)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000737777397 582647519 /nfs/dbraw/zinc/64/75/19/582647519.db2.gz UTWIIRGNSWCLLE-UHFFFAOYSA-N -2 1 339.275 -0.323 20 0 EBADML COc1ccc(NC(=O)c2cc(=O)[nH][n-]2)cc1[N-]S(C)(=O)=O ZINC000731868275 582841677 /nfs/dbraw/zinc/84/16/77/582841677.db2.gz VILAZXHRNHUSGL-UHFFFAOYSA-N -2 1 326.334 -0.119 20 0 EBADML CCOC(=O)c1n[n-]c(C2CCN(C(=O)c3cc(=O)[nH][n-]3)CC2)n1 ZINC000774679687 583387656 /nfs/dbraw/zinc/38/76/56/583387656.db2.gz HUZIEWHGQHXQJE-UHFFFAOYSA-N -2 1 334.336 -0.437 20 0 EBADML CCc1nn(Cc2nc(=O)n(C)[n-]2)c(=O)c(-c2nnn[n-]2)c1CC ZINC000825763108 583866394 /nfs/dbraw/zinc/86/63/94/583866394.db2.gz OFKVATFLOOTPDU-UHFFFAOYSA-N -2 1 331.340 -0.982 20 0 EBADML COC[C@@](C)([N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1)C(=O)OC ZINC000831628075 583988819 /nfs/dbraw/zinc/98/88/19/583988819.db2.gz XYFVCWIGOJTQIS-GFCCVEGCSA-N -2 1 338.382 -0.805 20 0 EBADML O=C([O-])N1CCC[C@H](OCC(=O)N2CCO[C@H](c3nn[n-]n3)C2)C1 ZINC000831998763 583994434 /nfs/dbraw/zinc/99/44/34/583994434.db2.gz WBBGDDJNRAKJKS-UWVGGRQHSA-N -2 1 340.340 -0.741 20 0 EBADML Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@@]1(C(=O)[O-])CCOC1 ZINC000833003890 584002957 /nfs/dbraw/zinc/00/29/57/584002957.db2.gz AUUFKCANEKKNOX-HNNXBMFYSA-N -2 1 334.332 -0.046 20 0 EBADML CC(=O)NCC(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000851701573 584200773 /nfs/dbraw/zinc/20/07/73/584200773.db2.gz WJNDUDMCSIEKCG-IONNQARKSA-N -2 1 339.270 -0.755 20 0 EBADML O=C([O-])N1CCCc2cc(NC(=O)C(=O)NCc3nn[n-]n3)ccc21 ZINC000740452752 602763630 /nfs/dbraw/zinc/76/36/30/602763630.db2.gz QCVYEMKHQXAGPU-UHFFFAOYSA-N -2 1 345.319 -0.115 20 0 EBADML O=C([O-])N1CCc2ccc(NC(=O)C(=O)NCc3nn[n-]n3)cc2C1 ZINC000740452616 602763667 /nfs/dbraw/zinc/76/36/67/602763667.db2.gz OUOVRRGELNWHJA-UHFFFAOYSA-N -2 1 345.319 -0.509 20 0 EBADML O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)OCC(=O)[N-]C(=O)c1ccccc1 ZINC000740375535 603145261 /nfs/dbraw/zinc/14/52/61/603145261.db2.gz DNDXROPBNDMCFI-QWRGUYRKSA-N -2 1 336.300 -0.401 20 0 EBADML Cc1o[n-]c(=N)c1S(=O)(=O)N[C@@H](Cc1ncccn1)C(=O)[O-] ZINC000650428213 650030123 /nfs/dbraw/zinc/03/01/23/650030123.db2.gz GCQCJRXAIREXMU-ZETCQYMHSA-N -2 1 327.322 -0.840 20 0 EBADML Cc1onc(N)c1S(=O)(=O)[N-][C@@H](Cc1ncccn1)C(=O)[O-] ZINC000650428213 650030125 /nfs/dbraw/zinc/03/01/25/650030125.db2.gz GCQCJRXAIREXMU-ZETCQYMHSA-N -2 1 327.322 -0.840 20 0 EBADML Cc1n[nH]c(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)CC2(C)C)c1[O-] ZINC000973043181 725623283 /nfs/dbraw/zinc/62/32/83/725623283.db2.gz NOTAPABPTXMTFJ-SECBINFHSA-N -2 1 349.395 -0.514 20 0 EBADML O=C(c1ncccc1[O-])N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001075722422 742281296 /nfs/dbraw/zinc/28/12/96/742281296.db2.gz SLTNDHWLTZHOKY-VHSXEESVSA-N -2 1 330.348 -0.043 20 0 EBADML C[C@@H](CCNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)c1ncccc1[O-] ZINC001077578233 743093135 /nfs/dbraw/zinc/09/31/35/743093135.db2.gz SGIPZFZXZVQLDW-ZETCQYMHSA-N -2 1 348.319 -0.678 20 0 EBADML O=C([O-])C[C@H](C(=O)Oc1[nH]c(=O)nc2ccccc21)[C@H](O)C(=O)[O-] ZINC001226980319 811894844 /nfs/dbraw/zinc/89/48/44/811894844.db2.gz IBGYRLYFWPYAIL-XVKPBYJWSA-N -2 1 336.256 -0.223 20 0 EBADML Cc1nc(=O)[nH]c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1Cl ZINC001227112649 811903998 /nfs/dbraw/zinc/90/39/98/811903998.db2.gz NJAVOOHSNVKGAB-FBCQKBJTSA-N -2 1 334.668 -0.414 20 0 EBADML Cc1nc(=O)[nH]c(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1Cl ZINC001227112650 811904524 /nfs/dbraw/zinc/90/45/24/811904524.db2.gz NJAVOOHSNVKGAB-FFWSUHOLSA-N -2 1 334.668 -0.414 20 0 EBADML C[C@H]1OCc2c1nc(=O)[nH]c2OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001227717094 811940431 /nfs/dbraw/zinc/94/04/31/811940431.db2.gz XHSXCRXFDCILGN-INEUFUBQSA-N -2 1 336.193 -0.851 20 0 EBADML CCOC(=O)Cc1cnc(=S)[n-]c1OC(=O)[C@@H](O)CC(=O)[O-] ZINC001228712633 811996022 /nfs/dbraw/zinc/99/60/22/811996022.db2.gz BQIAKMAGAOQQTJ-ZETCQYMHSA-N -2 1 330.318 -0.388 20 0 EBADML O=C(Oc1cc([O-])cc2oc(=O)ccc12)[C@H](O)COP(=O)([O-])[O-] ZINC001229132823 812013968 /nfs/dbraw/zinc/01/39/68/812013968.db2.gz XVUVAFVCVRQCRJ-MRVPVSSYSA-N -3 1 346.184 -0.126 20 0 EBADML CN1C[C@@H]2CN(C(=O)c3cc(S(=O)(=O)[O-])ccc3[O-])C[C@H](C1)O2 ZINC001270200740 815719791 /nfs/dbraw/zinc/71/97/91/815719791.db2.gz VAKMQUWGCMMJCI-AOOOYVTPSA-N -2 1 342.373 -0.206 20 0 EBADML C[C@@]1(CO)CN(C(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])CC[C@H]1O ZINC001148917173 830554773 /nfs/dbraw/zinc/55/47/73/830554773.db2.gz NJGPJVXCPZCSDV-OCCSQVGLSA-N -2 1 345.373 -0.156 20 0 EBADML CC(=O)N1C[C@@H]2C[C@]2(NC(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])C1 ZINC001148926191 830556893 /nfs/dbraw/zinc/55/68/93/830556893.db2.gz HCDWIOGPRACIEY-XPTSAGLGSA-N -2 1 340.357 -0.011 20 0 EBADML O=C(NC1CN(C2COC2)C1)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001148933761 830558813 /nfs/dbraw/zinc/55/88/13/830558813.db2.gz MSKFMRKLJMSOCZ-UHFFFAOYSA-N -2 1 328.346 -0.548 20 0 EBADML O=C([O-])CCc1cccc(NC(=O)C(=O)NN2CC(=O)[N-]C2=O)c1 ZINC001602042763 971127682 /nfs/dbraw/zinc/12/76/82/971127682.db2.gz XUAHHBJKSUIYFD-UHFFFAOYSA-N -2 1 334.288 -0.775 20 0 EBADML CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@](C)(OC)C(=O)[O-])c1 ZINC001593801345 954851386 /nfs/dbraw/zinc/85/13/86/954851386.db2.gz NYADCMYXVOQFBS-GFCCVEGCSA-N -2 1 332.334 -0.272 20 0 EBADML C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)o1 ZINC001593801634 954851961 /nfs/dbraw/zinc/85/19/61/954851961.db2.gz HYZMHXWXNBOJAG-SDBXPKJASA-N -2 1 344.345 -0.639 20 0 EBADML COC(=O)c1cc(S(=O)(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)[n-]n1 ZINC001593875367 955661425 /nfs/dbraw/zinc/66/14/25/955661425.db2.gz MULMSRQGRWGBDI-JGVFFNPUSA-N -2 1 331.350 -0.072 20 0 EBADML COC(=O)c1cc(S(=O)(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)n[n-]1 ZINC001593875367 955661433 /nfs/dbraw/zinc/66/14/33/955661433.db2.gz MULMSRQGRWGBDI-JGVFFNPUSA-N -2 1 331.350 -0.072 20 0 EBADML Cn1cc(S(=O)(=O)[N-]C2CCC(C(=O)[O-])CC2)c(=O)[nH]c1=O ZINC001594549589 955712388 /nfs/dbraw/zinc/71/23/88/955712388.db2.gz PAARBZXDBWERBE-UHFFFAOYSA-N -2 1 331.350 -0.592 20 0 EBADML CON(C)C(=O)CN1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC001594040531 957866461 /nfs/dbraw/zinc/86/64/61/957866461.db2.gz MVDIGWHXKWUPJJ-APPZFPTMSA-N -2 1 341.286 -0.398 20 0 EBADML O=C([O-])CC[C@H]1C[C@H](C(=O)N2CCC(O)(c3nn[n-]n3)CC2)CO1 ZINC001574680688 962584442 /nfs/dbraw/zinc/58/44/42/962584442.db2.gz CXLSTIXNHFDEFL-UWVGGRQHSA-N -2 1 339.352 -0.720 20 0 EBADML O=C([O-])COCCOCCNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001606284978 973674657 /nfs/dbraw/zinc/67/46/57/973674657.db2.gz VOHQOXJKIFZZDR-UHFFFAOYSA-N -2 1 325.321 -0.093 20 0 EBADML CCOC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)[C@H](O)C(=O)[O-])o1 ZINC001596726347 984982905 /nfs/dbraw/zinc/98/29/05/984982905.db2.gz OPKUIOURAVYLTL-SECBINFHSA-N -2 1 335.334 -0.041 20 0 EBADML CCOC(=O)c1c[n-]c(NC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)n1 ZINC001596740116 985042520 /nfs/dbraw/zinc/04/25/20/985042520.db2.gz SNWCDSONTLYMSI-QMMMGPOBSA-N -2 1 338.320 -0.152 20 0 EBADML CCOC[C@@H](C(=O)[O-])N(C)C(=O)CNC(=O)c1ncccc1[O-] ZINC001596872445 985704917 /nfs/dbraw/zinc/70/49/17/985704917.db2.gz KRDSPOXYEZBNRS-VIFPVBQESA-N -2 1 325.321 -0.535 20 0 EBADML C[C@@H]1C[C@H](C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)O[C@H]1C(=O)[O-] ZINC001599875943 989418621 /nfs/dbraw/zinc/41/86/21/989418621.db2.gz KCKIZAHWVYOSEQ-NYRNMGCKSA-N -2 1 337.332 -0.251 20 0 EBADML CN(C)C1(CS(=O)(=O)[N-]C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)CCC1 ZINC001598184392 990755102 /nfs/dbraw/zinc/75/51/02/990755102.db2.gz REBVIKLNFBRVPU-ZJUUUORDSA-N -2 1 334.394 -0.451 20 0 EBADML C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)o1 ZINC001598674570 994819594 /nfs/dbraw/zinc/81/95/94/994819594.db2.gz KIVIOGTYQUNXCH-CBAPKCEASA-N -2 1 332.334 -0.498 20 0 EBADML COC(=O)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001598699326 995196738 /nfs/dbraw/zinc/19/67/38/995196738.db2.gz VKNKRWJSHKAQRC-RXMQYKEDSA-N -2 1 345.255 -0.120 20 0 EBADML COC(=O)C1([N-]S(=O)(=O)CC2(C(=O)[O-])CCC2)CCOCC1 ZINC001598726223 995522096 /nfs/dbraw/zinc/52/20/96/995522096.db2.gz YBNAHJYDHMVTCQ-UHFFFAOYSA-N -2 1 335.378 -0.117 20 0 EBADML COC(=O)[C@@H](O)C[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001598894562 997056185 /nfs/dbraw/zinc/05/61/85/997056185.db2.gz YWXKQRDOZOZPSQ-ZETCQYMHSA-N -2 1 339.272 -0.525 20 0 EBADML COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H](C[C@@H]1CCCOC1)C(=O)[O-] ZINC001599328541 997707234 /nfs/dbraw/zinc/70/72/34/997707234.db2.gz GWYWKENRSUQMON-YUMQZZPRSA-N -2 1 341.320 -0.104 20 0 EBADML COC[C@@H](CO)NC(=O)c1ccc(-n2[n-]c(CC(=O)[O-])cc2=O)cc1 ZINC001599165164 998528935 /nfs/dbraw/zinc/52/89/35/998528935.db2.gz TYYYFWSAURJIHL-GFCCVEGCSA-N -2 1 349.343 -0.470 20 0 EBADML CC(C)Cn1[n-]c(CC(=O)N2CCOC[C@@H]2c2nn[n-]n2)cc1=O ZINC001412427733 1129526545 /nfs/dbraw/zinc/52/65/45/1129526545.db2.gz OKURNNJTESWDBS-LLVKDONJSA-N -2 1 335.368 -0.512 20 0 EBADML CNC(=O)[C@H]1CCN(C(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)C1 ZINC001413140601 1129938379 /nfs/dbraw/zinc/93/83/79/1129938379.db2.gz RBBSRRDBZLHNLR-QMMMGPOBSA-N -2 1 331.332 -0.047 20 0 EBADML CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)[N-]CCc1nc(=O)o[n-]1 ZINC001413350972 1130038518 /nfs/dbraw/zinc/03/85/18/1130038518.db2.gz PWYHOKQFGGNXKX-LJQANCHMSA-N -2 1 326.400 -0.364 20 0 EBADML Cc1cc(C(=O)NC[C@@H](C)S(C)(=O)=O)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000533604883 376022894 /nfs/dbraw/zinc/02/28/94/376022894.db2.gz OYDRKZXEDMZGQN-SSDOTTSWSA-N -2 1 340.361 -0.093 20 0 EBADML Cc1cc(C(=O)NC[C@H]2CC[C@H](C(N)=O)O2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000268421672 379299966 /nfs/dbraw/zinc/29/99/66/379299966.db2.gz XKFYPBSZTLMIJW-VXNVDRBHSA-N -2 1 347.331 -0.493 20 0 EBADML COC(=O)c1coc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(=O)[O-])c1 ZINC000274986076 379728776 /nfs/dbraw/zinc/72/87/76/379728776.db2.gz MDCFZRPSQLDQIU-ZCFIWIBFSA-N -3 1 335.290 -0.480 20 0 EBADML C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@](OC)(C(=O)[O-])C2)o1 ZINC000630252672 380024284 /nfs/dbraw/zinc/02/42/84/380024284.db2.gz NXEQPLWRUJHORT-LBPRGKRZSA-N -2 1 332.334 -0.497 20 0 EBADML COC(=O)c1coc(S(=O)(=O)[N-]C[C@](C)(CC(=O)[O-])C(=O)[O-])c1 ZINC000547613923 380150212 /nfs/dbraw/zinc/15/02/12/380150212.db2.gz CEDOQBLVSZBPQN-LBPRGKRZSA-N -3 1 349.317 -0.090 20 0 EBADML COC[C@@H]([N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)C(=O)[O-] ZINC000567808837 380544022 /nfs/dbraw/zinc/54/40/22/380544022.db2.gz AOAVTMMTYFKWLA-RXMQYKEDSA-N -2 1 331.272 -0.183 20 0 EBADML Cc1onc(N)c1S(=O)(=O)[N-]C[C@H](Cc1cnn(C)c1)C(=O)[O-] ZINC000571094666 420661665 /nfs/dbraw/zinc/66/16/65/420661665.db2.gz SKEIZGCTCDLNHR-VIFPVBQESA-N -2 1 343.365 -0.479 20 0 EBADML Cc1cc(C(=O)NCCc2nc(N)no2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000443109993 420664516 /nfs/dbraw/zinc/66/45/16/420664516.db2.gz ACTMWYWSXJQSLU-UHFFFAOYSA-N -2 1 331.292 -0.318 20 0 EBADML Cc1cc(C(=O)N2C[C@H](CO)OC[C@@H]2C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000352629669 301124704 /nfs/dbraw/zinc/12/47/04/301124704.db2.gz JINZYJTWZADPRK-DTWKUNHWSA-N -2 1 334.332 -0.034 20 0 EBADML COc1cc(F)c(S(=O)(=O)[N-][C@H](CC(N)=O)C(=O)[O-])c(F)c1 ZINC000681555910 546307091 /nfs/dbraw/zinc/30/70/91/546307091.db2.gz JAMRZECRJKJGJN-MRVPVSSYSA-N -2 1 338.288 -0.420 20 0 EBADML CC(C)([N-]C(=O)C(F)(F)F)C(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000760810129 583232052 /nfs/dbraw/zinc/23/20/52/583232052.db2.gz OSFIXZQRXWUZBP-UHFFFAOYSA-N -2 1 343.287 -0.396 20 0 EBADML CC(C)([N-]C(=O)C(F)(F)F)C(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000760810129 583232055 /nfs/dbraw/zinc/23/20/55/583232055.db2.gz OSFIXZQRXWUZBP-UHFFFAOYSA-N -2 1 343.287 -0.396 20 0 EBADML CN(C)c1ncc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cn1 ZINC000825883466 583869764 /nfs/dbraw/zinc/86/97/64/583869764.db2.gz HRKPSOWQKIPWSY-UHFFFAOYSA-N -2 1 347.364 -0.082 20 0 EBADML CN(C(=O)CCn1cc[n-]c(=O)c1=O)C1CCC(NC(=O)[O-])CC1 ZINC000827759005 583927441 /nfs/dbraw/zinc/92/74/41/583927441.db2.gz MGKXRLOJGCYFQX-UHFFFAOYSA-N -2 1 338.364 -0.036 20 0 EBADML CN(CC(C)(C)CNC(=O)[O-])C(=O)CCn1cc[n-]c(=O)c1=O ZINC000828129603 583934158 /nfs/dbraw/zinc/93/41/58/583934158.db2.gz SVBZOKWPRBUMHV-UHFFFAOYSA-N -2 1 326.353 -0.321 20 0 EBADML COc1ccc(C(=O)[N-]C(=O)Cn2nnnc2CNC(=O)[O-])cc1 ZINC000829275400 583952227 /nfs/dbraw/zinc/95/22/27/583952227.db2.gz BEUMFYJQIXTGTH-UHFFFAOYSA-N -2 1 334.292 -0.594 20 0 EBADML O=C([O-])N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NN1CC(=O)[N-]C1=O ZINC000834252687 584030206 /nfs/dbraw/zinc/03/02/06/584030206.db2.gz PSSSOGXABKSFCD-NSHDSACASA-N -2 1 345.315 -0.070 20 0 EBADML O=C([O-])CCCOc1ccc(NC(=O)C(=O)NCc2nn[n-]n2)cc1 ZINC000739682782 600341500 /nfs/dbraw/zinc/34/15/00/600341500.db2.gz LGFCJCSFOPWBKK-UHFFFAOYSA-N -2 1 348.319 -0.302 20 0 EBADML C[N-]S(=O)(=O)c1ccc(C(=O)N[C@](C)(COC)CC(=O)[O-])o1 ZINC000262042853 601295165 /nfs/dbraw/zinc/29/51/65/601295165.db2.gz DDQLTXPCQJUUAZ-LBPRGKRZSA-N -2 1 334.350 -0.203 20 0 EBADML C[C@H](NC(=O)CCn1cc[n-]c(=O)c1=O)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738957230 602188784 /nfs/dbraw/zinc/18/87/84/602188784.db2.gz BKAQCSDIATUWFX-WDEREUQCSA-N -2 1 338.364 -0.179 20 0 EBADML CNC(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)OC)ccc1C(=O)OC ZINC000057124761 649959669 /nfs/dbraw/zinc/95/96/69/649959669.db2.gz KNKIQSKPXMPLDV-UHFFFAOYSA-N -2 1 345.333 -0.618 20 0 EBADML CO[N-]C(=O)CNC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000927216689 651500468 /nfs/dbraw/zinc/50/04/68/651500468.db2.gz ZXKGQKPZOCIMAV-MRVPVSSYSA-N -2 1 340.302 -0.236 20 0 EBADML O=C(N[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)c1ncccc1[O-] ZINC000940131789 653085172 /nfs/dbraw/zinc/08/51/72/653085172.db2.gz KCRLAXDIOLYBAQ-SSDOTTSWSA-N -2 1 346.303 -0.972 20 0 EBADML O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1)c1ncccc1[O-] ZINC001035343606 731221967 /nfs/dbraw/zinc/22/19/67/731221967.db2.gz JHRYGTOJBSPPNC-SECBINFHSA-N -2 1 334.336 -0.758 20 0 EBADML O=C(c1ncccc1[O-])N1CCOC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001053232722 735786243 /nfs/dbraw/zinc/78/62/43/735786243.db2.gz XLAAISBJUSHWIX-UHFFFAOYSA-N -2 1 346.347 -0.662 20 0 EBADML CC(=O)c1c(O)cc([O-])cc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001225675046 811822903 /nfs/dbraw/zinc/82/29/03/811822903.db2.gz QTBXTGGKWGMNNT-JMCQJSRRSA-N -3 1 342.256 -0.258 20 0 EBADML COCc1cc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])[n-]c(=S)n1 ZINC001225936621 811837475 /nfs/dbraw/zinc/83/74/75/811837475.db2.gz BNTGLGGSIMMNIB-IMTBSYHQSA-N -3 1 346.317 -0.647 20 0 EBADML O=C([O-])C[C@@H](C(=O)Oc1[n-]c(=S)nc2c1CCC2)[C@H](O)C(=O)[O-] ZINC001226299965 811860195 /nfs/dbraw/zinc/86/01/95/811860195.db2.gz JXMRTMSGNKTQPE-MUWHJKNJSA-N -3 1 342.329 -0.304 20 0 EBADML Cc1n[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2nc(=O)n(C)[n-]2)c1[O-] ZINC001095322871 818601974 /nfs/dbraw/zinc/60/19/74/818601974.db2.gz FLYITVUIXSPMHC-UTLUCORTSA-N -2 1 347.379 -0.619 20 0 EBADML Cn1[n-]cc2c(=NC(=O)C(=O)N[C@@H]3CC[C@H](C(=O)[O-])C3)ccnc1-2 ZINC001118241907 826883681 /nfs/dbraw/zinc/88/36/81/826883681.db2.gz RJUDMLHIWLORIB-DTWKUNHWSA-N -2 1 331.332 -0.350 20 0 EBADML C[C@@]1(CO)CCN(C(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])C[C@H]1O ZINC001148917534 830556042 /nfs/dbraw/zinc/55/60/42/830556042.db2.gz VZBIEXDTJGQZRY-OCCSQVGLSA-N -2 1 345.373 -0.156 20 0 EBADML COC(=O)[C@@H](NC(=O)c1cc(S(=O)(=O)[O-])ccc1[O-])[C@@H](C)O ZINC001148926080 830557025 /nfs/dbraw/zinc/55/70/25/830557025.db2.gz BTWUXRGDMZTDJF-LDWIPMOCSA-N -2 1 333.318 -0.709 20 0 EBADML CN1C[C@H](CNC(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])CC1=O ZINC001148927214 830557240 /nfs/dbraw/zinc/55/72/40/830557240.db2.gz IJIHYUZFEGEQFU-QMMMGPOBSA-N -2 1 328.346 -0.153 20 0 EBADML N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1ccc([O-])cc1F ZINC001176410953 832672668 /nfs/dbraw/zinc/67/26/68/832672668.db2.gz OEBXEMOZDXCJPC-UHFFFAOYSA-N -2 1 331.285 -0.458 20 0 EBADML CCOCCS(=O)(=O)[N-]c1ccc2c(c1)S(=O)(=O)[N-]C2=O ZINC001187287784 833915654 /nfs/dbraw/zinc/91/56/54/833915654.db2.gz VKSJGZOGKJBEHW-UHFFFAOYSA-N -2 1 334.375 -0.103 20 0 EBADML Cc1nc(CNC(=O)c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)n[nH]1 ZINC001189941244 834212156 /nfs/dbraw/zinc/21/21/56/834212156.db2.gz FYKIUQIGWYARAJ-UHFFFAOYSA-N -2 1 340.317 -0.012 20 0 EBADML N=C(NC(=O)c1c[nH]c(=S)[n-]c1=O)SCCS(=O)(=O)[O-] ZINC001196023900 835329167 /nfs/dbraw/zinc/32/91/67/835329167.db2.gz NOTLWJYBERJDLQ-UHFFFAOYSA-N -2 1 338.392 -0.244 20 0 EBADML C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@](COC)(C(=O)[O-])C2)o1 ZINC001593801913 954855587 /nfs/dbraw/zinc/85/55/87/954855587.db2.gz KTQVFQXVBVROME-CYBMUJFWSA-N -2 1 346.361 -0.249 20 0 EBADML Cn1[n-]cc2c(=NC(=O)C(=O)N3CCC(C(=O)[O-])CC3)ccnc1-2 ZINC001594512859 955401511 /nfs/dbraw/zinc/40/15/11/955401511.db2.gz BGRGSMFDJKOVMS-UHFFFAOYSA-N -2 1 331.332 -0.397 20 0 EBADML C[C@H](CN(C)C(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1)c1nn[n-]n1 ZINC001589022121 955480098 /nfs/dbraw/zinc/48/00/98/955480098.db2.gz KWBOHMFQWVNOFK-MRVPVSSYSA-N -2 1 345.381 -0.959 20 0 EBADML COC(=O)c1cc(S(=O)(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)[n-]n1 ZINC001593875366 955661741 /nfs/dbraw/zinc/66/17/41/955661741.db2.gz MULMSRQGRWGBDI-HTQZYQBOSA-N -2 1 331.350 -0.072 20 0 EBADML COC(=O)c1cc(S(=O)(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)n[n-]1 ZINC001593875366 955661746 /nfs/dbraw/zinc/66/17/46/955661746.db2.gz MULMSRQGRWGBDI-HTQZYQBOSA-N -2 1 331.350 -0.072 20 0 EBADML CSc1nc(=O)[n-]c(C)c1C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC000390167740 972267545 /nfs/dbraw/zinc/26/75/45/972267545.db2.gz NPEKVSUXLPLFQL-UHFFFAOYSA-N -2 1 338.349 -0.068 20 0 EBADML CON(C)C(=O)CN1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC001594040541 957866659 /nfs/dbraw/zinc/86/66/59/957866659.db2.gz MVDIGWHXKWUPJJ-VXNVDRBHSA-N -2 1 341.286 -0.398 20 0 EBADML O=C([O-])[C@]1(NC(=O)CNC(=O)c2ncccc2[O-])CCSC1 ZINC001571168359 962022009 /nfs/dbraw/zinc/02/20/09/962022009.db2.gz SVUVWUKVCSORIE-ZDUSSCGKSA-N -2 1 325.346 -0.407 20 0 EBADML Cn1nc(C(=O)[O-])cc1C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001571208411 962428966 /nfs/dbraw/zinc/42/89/66/962428966.db2.gz PCIXQMWJQMANNB-UHFFFAOYSA-N -2 1 333.304 -0.383 20 0 EBADML CCOC(=O)[C@H](CO)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001596533719 984352322 /nfs/dbraw/zinc/35/23/22/984352322.db2.gz AMMKVNSXLBYXFB-NSHDSACASA-N -2 1 331.346 -0.272 20 0 EBADML CCOC(=O)c1n[n-]nc1[C@@H]1CCCN1C(=O)COCC(=O)[O-] ZINC001596754549 985115503 /nfs/dbraw/zinc/11/55/03/985115503.db2.gz QIOLOEYCVVKPEB-QMMMGPOBSA-N -2 1 326.309 -0.254 20 0 EBADML CC(=O)c1[nH]c(CC(=O)OCc2nc(=O)n(C)[n-]2)c(C(=O)[O-])c1C ZINC001589248834 985863780 /nfs/dbraw/zinc/86/37/80/985863780.db2.gz XVINTVUHLSXVGN-UHFFFAOYSA-N -2 1 336.304 -0.068 20 0 EBADML COc1ccc([O-])c(S(=O)(=O)NC2(C(=O)[O-])CC(CO)C2)c1 ZINC001599599480 993794037 /nfs/dbraw/zinc/79/40/37/993794037.db2.gz HHUNZWSFJVDZMA-UHFFFAOYSA-N -2 1 331.346 -0.095 20 0 EBADML CNC(=O)[C@@H](CO)[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001598633948 994216287 /nfs/dbraw/zinc/21/62/87/994216287.db2.gz GVBLTGORTDSQII-SSDOTTSWSA-N -2 1 338.288 -0.952 20 0 EBADML COC(=O)C[C@@H](O)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1 ZINC001598841722 996531404 /nfs/dbraw/zinc/53/14/04/996531404.db2.gz SDELBCRDOMMSRQ-RXMQYKEDSA-N -2 1 341.725 -0.167 20 0 EBADML COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H](C[C@@H]1CCCO1)C(=O)[O-] ZINC001599329199 997718405 /nfs/dbraw/zinc/71/84/05/997718405.db2.gz SEPAOCLICICLHX-BQBZGAKWSA-N -2 1 327.293 -0.352 20 0 EBADML COC(=O)c1ccc(S(=O)(=O)[N-][C@H](CCC(=O)[O-])C(=O)OC)o1 ZINC001598988070 998712294 /nfs/dbraw/zinc/71/22/94/998712294.db2.gz AFDKKMQLELNFMM-SSDOTTSWSA-N -2 1 349.317 -0.249 20 0 EBADML COC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H](CC(F)F)C(=O)[O-] ZINC001599007344 998866725 /nfs/dbraw/zinc/86/67/25/998866725.db2.gz HSNVJZSDBGNQJC-RXMQYKEDSA-N -2 1 327.265 -0.417 20 0 EBADML COC(=O)c1coc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(=O)OC)c1 ZINC001599013453 998918894 /nfs/dbraw/zinc/91/88/94/998918894.db2.gz YMZHTXQSSKZWHG-ZETCQYMHSA-N -2 1 335.290 -0.639 20 0 EBADML Cn1[nH]cnc1=NC([O-])=C([O-])[C@@](O)(c1ccccc1)C(F)(F)F ZINC001412731599 1129604565 /nfs/dbraw/zinc/60/45/65/1129604565.db2.gz UTWVGUSAIKXZNA-CABZTGNLSA-N -2 1 330.266 -0.014 20 0 EBADML COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@H](CO)C(=O)[O-])c1F ZINC000600651968 376479074 /nfs/dbraw/zinc/47/90/74/376479074.db2.gz MULOZHWMJRINGE-SSDOTTSWSA-N -2 1 339.272 -0.525 20 0 EBADML O=C([O-])CNC(=O)CC[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000278204202 379916873 /nfs/dbraw/zinc/91/68/73/379916873.db2.gz HGSQTEKJORPPPJ-UHFFFAOYSA-N -2 1 340.279 -0.027 20 0 EBADML Cc1cc(C(=O)NC[C@H]2CC(C(N)=O)=NO2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000281484317 380026431 /nfs/dbraw/zinc/02/64/31/380026431.db2.gz FDVVRAIMUNDCLQ-ZCFIWIBFSA-N -2 1 346.303 -0.896 20 0 EBADML CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](CC(N)=O)C(=O)[O-])o1 ZINC000547882023 380168403 /nfs/dbraw/zinc/16/84/03/380168403.db2.gz MKVHEMHEHLWZJA-ZCFIWIBFSA-N -2 1 334.306 -0.937 20 0 EBADML C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](C(=O)[O-])[C@@H]2CCCOC2)o1 ZINC000262856760 154248936 /nfs/dbraw/zinc/24/89/36/154248936.db2.gz SXMCDRFPBLLUGV-KCJUWKMLSA-N -2 1 346.361 -0.203 20 0 EBADML Cc1cc(C(=O)NCCNS(C)(=O)=O)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000266874191 154357589 /nfs/dbraw/zinc/35/75/89/154357589.db2.gz YFYKCWSIEJLVKD-UHFFFAOYSA-N -2 1 341.349 -0.977 20 0 EBADML COC(=O)[C@@H](CNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1)OC ZINC000294191529 155057395 /nfs/dbraw/zinc/05/73/95/155057395.db2.gz XJMCRLBDRDWRFC-MRVPVSSYSA-N -2 1 336.304 -0.338 20 0 EBADML C[N-]S(=O)(=O)c1ccc(C(=O)N(CC(=O)[O-])C2CCOCC2)o1 ZINC000531748112 419273315 /nfs/dbraw/zinc/27/33/15/419273315.db2.gz MCFSPAFKFGJRTL-UHFFFAOYSA-N -2 1 346.361 -0.107 20 0 EBADML Cn1cc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2C(=O)[O-])c(=O)n(C)c1=O ZINC000320872109 419640069 /nfs/dbraw/zinc/64/00/69/419640069.db2.gz HHDCRWBVBBHXKD-DTWKUNHWSA-N -2 1 345.377 -0.994 20 0 EBADML Cc1o[n-]c(=N)c1S(=O)(=O)N[C@H](Cc1ccncc1)C(=O)[O-] ZINC000653496191 419781488 /nfs/dbraw/zinc/78/14/88/419781488.db2.gz IGYZYVCERBGTJY-SECBINFHSA-N -2 1 326.334 -0.235 20 0 EBADML Cc1onc(N)c1S(=O)(=O)[N-][C@H](Cc1ccncc1)C(=O)[O-] ZINC000653496191 419781491 /nfs/dbraw/zinc/78/14/91/419781491.db2.gz IGYZYVCERBGTJY-SECBINFHSA-N -2 1 326.334 -0.235 20 0 EBADML C[C@](O)(C[N-]S(=O)(=O)c1ncccc1Br)C(=O)[O-] ZINC000656563466 420898858 /nfs/dbraw/zinc/89/88/58/420898858.db2.gz SXSYFDMWRXQLPP-VIFPVBQESA-N -2 1 339.167 -0.042 20 0 EBADML NC(=O)C[C@@H]([N-]S(=O)(=O)c1ncccc1C(F)(F)F)C(=O)[O-] ZINC000650388334 545684146 /nfs/dbraw/zinc/68/41/46/545684146.db2.gz FDXWNADYHGDTJT-ZCFIWIBFSA-N -2 1 341.267 -0.293 20 0 EBADML COc1cc(F)c(S(=O)(=O)[N-][C@@H](CC(N)=O)C(=O)[O-])c(F)c1 ZINC000681555932 546306958 /nfs/dbraw/zinc/30/69/58/546306958.db2.gz JAMRZECRJKJGJN-QMMMGPOBSA-N -2 1 338.288 -0.420 20 0 EBADML CCCCCCn1cc(S(=O)(=O)[N-]CC(=O)[O-])c(=O)[nH]c1=O ZINC000776437295 583403993 /nfs/dbraw/zinc/40/39/93/583403993.db2.gz HCPZGZJALBBAOD-UHFFFAOYSA-N -2 1 333.366 -0.108 20 0 EBADML Cc1ccc(S(=O)(=O)[N-]C(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000822267293 583809139 /nfs/dbraw/zinc/80/91/39/583809139.db2.gz RIGYPKHANAZESF-UHFFFAOYSA-N -2 1 348.348 -0.728 20 0 EBADML Cn1cc(-c2nn[n-]n2)c([N-]S(=O)(=O)c2ccc(C(N)=O)cc2)n1 ZINC000822623086 583814811 /nfs/dbraw/zinc/81/48/11/583814811.db2.gz OIWLEUIXVXWNBB-UHFFFAOYSA-N -2 1 348.348 -0.500 20 0 EBADML O=C([N-]S(=O)(=O)C[C@@H]1CCCO1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826449911 583902748 /nfs/dbraw/zinc/90/27/48/583902748.db2.gz ONMOAFSZHSGQLV-VIFPVBQESA-N -2 1 338.349 -0.500 20 0 EBADML O=C([N-]S(=O)(=O)C[C@@H]1CCCO1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826449911 583902750 /nfs/dbraw/zinc/90/27/50/583902750.db2.gz ONMOAFSZHSGQLV-VIFPVBQESA-N -2 1 338.349 -0.500 20 0 EBADML CCN(Cc1cccc(NC(=O)C(=O)NCc2nn[n-]n2)c1)C(=O)[O-] ZINC000827166229 583915960 /nfs/dbraw/zinc/91/59/60/583915960.db2.gz BAAZJOFKHASFKN-UHFFFAOYSA-N -2 1 347.335 -0.046 20 0 EBADML CN(Cc1cccc(NC(=O)C(=O)NCc2nn[n-]n2)c1)C(=O)[O-] ZINC000828370430 583938026 /nfs/dbraw/zinc/93/80/26/583938026.db2.gz ZEEQHMFBUGOKDZ-UHFFFAOYSA-N -2 1 333.308 -0.436 20 0 EBADML CS(=O)(=O)c1n[n-]c(NC(=O)[C@@H]2CCC[C@@H](NC(=O)[O-])C2)n1 ZINC000829699603 583957219 /nfs/dbraw/zinc/95/72/19/583957219.db2.gz MHYUPHXOSGUPNT-RNFRBKRXSA-N -2 1 331.354 -0.027 20 0 EBADML O=C([O-])N1CCC2(C[C@H]2C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)CC1 ZINC000834086229 584026107 /nfs/dbraw/zinc/02/61/07/584026107.db2.gz CEHOQVYHBTYXQN-VHSXEESVSA-N -2 1 336.352 -0.120 20 0 EBADML CC(=O)NCC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000851701574 584200697 /nfs/dbraw/zinc/20/06/97/584200697.db2.gz WJNDUDMCSIEKCG-VXNVDRBHSA-N -2 1 339.270 -0.755 20 0 EBADML CC(=O)NCC(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000851701571 584200810 /nfs/dbraw/zinc/20/08/10/584200810.db2.gz WJNDUDMCSIEKCG-CBAPKCEASA-N -2 1 339.270 -0.755 20 0 EBADML O=C([O-])COc1cccc(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)c1 ZINC000739825585 600261306 /nfs/dbraw/zinc/26/13/06/600261306.db2.gz KDLNSPQGTSELII-LLVKDONJSA-N -2 1 333.304 -0.123 20 0 EBADML O=C(COC1CN(C(=O)[O-])C1)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC000831529307 603472929 /nfs/dbraw/zinc/47/29/29/603472929.db2.gz JATOUMBWDILLKD-GFCCVEGCSA-N -2 1 332.320 -0.216 20 0 EBADML O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1)c1ncccc1[O-] ZINC001035343607 731222062 /nfs/dbraw/zinc/22/20/62/731222062.db2.gz JHRYGTOJBSPPNC-VIFPVBQESA-N -2 1 334.336 -0.758 20 0 EBADML O=C([O-])C[C@@H](C(=O)Oc1[nH]c(=O)nc2ccccc21)[C@H](O)C(=O)[O-] ZINC001226980318 811894915 /nfs/dbraw/zinc/89/49/15/811894915.db2.gz IBGYRLYFWPYAIL-XCBNKYQSSA-N -2 1 336.256 -0.223 20 0 EBADML CS(=O)(=O)CS(=O)(=O)[N-]c1cccc2c(=O)[nH][n-]c(=O)c12 ZINC001260591607 812840004 /nfs/dbraw/zinc/84/00/04/812840004.db2.gz BDTKLEISAUNBII-UHFFFAOYSA-N -2 1 333.347 -0.215 20 0 EBADML Cn1[n-]cc2c(=NC(=O)C(=O)N3CCC(C)(C(=O)[O-])CC3)ccnc1-2 ZINC001118242112 826883738 /nfs/dbraw/zinc/88/37/38/826883738.db2.gz WJRZIGHZTKBTLG-UHFFFAOYSA-N -2 1 345.359 -0.006 20 0 EBADML O=C(c1cc(S(=O)(=O)[O-])ccc1[O-])N1CCS(=O)(=O)CC1 ZINC001148916807 830556067 /nfs/dbraw/zinc/55/60/67/830556067.db2.gz FHXWKUTWIOOLGM-UHFFFAOYSA-N -2 1 335.359 -0.491 20 0 EBADML CSc1ncc(C(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)c(=O)[n-]1 ZINC001191436685 834477948 /nfs/dbraw/zinc/47/79/48/834477948.db2.gz IBCTZKKYKXQIHM-NJGYIYPDSA-N -2 1 348.362 -0.964 20 0 EBADML CCOC(=O)c1nc(CNC(=O)[C@H]2CO[C@H](CCC(=O)[O-])C2)n[n-]1 ZINC001591279530 951119885 /nfs/dbraw/zinc/11/98/85/951119885.db2.gz PLGUYIXLMYLLAO-RKDXNWHRSA-N -2 1 340.336 -0.133 20 0 EBADML CCOC(=O)c1n[n-]c(CNC(=O)[C@H]2CO[C@H](CCC(=O)[O-])C2)n1 ZINC001591279530 951119889 /nfs/dbraw/zinc/11/98/89/951119889.db2.gz PLGUYIXLMYLLAO-RKDXNWHRSA-N -2 1 340.336 -0.133 20 0 EBADML Cn1cc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2CC(=O)[O-])c(=O)[nH]c1=O ZINC001571195416 962300958 /nfs/dbraw/zinc/30/09/58/962300958.db2.gz CFWFLSIWKPBUQG-JGVFFNPUSA-N -2 1 331.350 -0.592 20 0 EBADML COC(=O)[C@@](C)(CO)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001571196432 962315725 /nfs/dbraw/zinc/31/57/25/962315725.db2.gz MXNJHYIDBNAGPZ-CYBMUJFWSA-N -2 1 331.346 -0.272 20 0 EBADML CNC(=O)[C@H](CO)[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001598633950 994216509 /nfs/dbraw/zinc/21/65/09/994216509.db2.gz GVBLTGORTDSQII-ZETCQYMHSA-N -2 1 338.288 -0.952 20 0 EBADML CNC(=O)[C@H](C)NC(=O)c1ccc(-n2[n-]c(CC(=O)[O-])cc2=O)cc1 ZINC001598634691 994229130 /nfs/dbraw/zinc/22/91/30/994229130.db2.gz SYJYUXBOYQIOEG-VIFPVBQESA-N -2 1 346.343 -0.343 20 0 EBADML COC(=O)[C@H](Cc1cncs1)[N-]S(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC001598704889 995273440 /nfs/dbraw/zinc/27/34/40/995273440.db2.gz PVFPKHFDHPRXFQ-APPZFPTMSA-N -2 1 336.391 -0.133 20 0 EBADML COc1cc(C(=O)[O-])cc(NC(=O)CCn2cc[n-]c(=O)c2=O)c1O ZINC001599358973 998227782 /nfs/dbraw/zinc/22/77/82/998227782.db2.gz QAMHNTZEPKRQGH-UHFFFAOYSA-N -2 1 349.299 -0.022 20 0 EBADML CO[C@@H](CS(=O)(=O)[N-]c1nnc(CC(=O)[O-])[nH]1)[C@H]1CCOC1 ZINC001599060596 999262500 /nfs/dbraw/zinc/26/25/00/999262500.db2.gz VHHKBAHILZAAFQ-YUMQZZPRSA-N -2 1 334.354 -0.775 20 0 EBADML Cc1cc(C(=O)N2CCC(CO)(CO)C2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC001362754536 1131663081 /nfs/dbraw/zinc/66/30/81/1131663081.db2.gz APHLBEQVLKCXKS-UHFFFAOYSA-N -2 1 334.332 -0.439 20 0 EBADML CC(C)CN(Cc1nn[n-]n1)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001362828265 1131687959 /nfs/dbraw/zinc/68/79/59/1131687959.db2.gz ASFAQOYVRYQGEL-UHFFFAOYSA-N -2 1 331.340 -0.731 20 0 EBADML Cc1cc(C(=O)N2C[C@H](CO)[C@H](CO)C2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC001363526091 1131992665 /nfs/dbraw/zinc/99/26/65/1131992665.db2.gz QPUXPMDLLAZFQJ-DTORHVGOSA-N -2 1 334.332 -0.583 20 0 EBADML Cn1cc(S(=O)(=O)[N-][C@@H](CC(C)(C)C)C(=O)[O-])c(=O)n(C)c1=O ZINC000401329049 377003999 /nfs/dbraw/zinc/00/39/99/377003999.db2.gz MLTZQKZDIYMZJN-QMMMGPOBSA-N -2 1 347.393 -0.748 20 0 EBADML COC[C@H]([N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)C(=O)[O-] ZINC000567808838 380544354 /nfs/dbraw/zinc/54/43/54/380544354.db2.gz AOAVTMMTYFKWLA-YFKPBYRVSA-N -2 1 331.272 -0.183 20 0 EBADML Cc1cc(C(=O)NC[C@H](O)[C@@H]2CCOC2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000531635329 419271983 /nfs/dbraw/zinc/27/19/83/419271983.db2.gz VEYJSDGHLOOPQG-SCZZXKLOSA-N -2 1 334.332 -0.128 20 0 EBADML Cc1onc(N)c1S(=O)(=O)[N-][C@H](C(=O)[O-])c1cnn(C)c1C ZINC000566311610 420659455 /nfs/dbraw/zinc/65/94/55/420659455.db2.gz HCRNSLVKXGWPMJ-QMMMGPOBSA-N -2 1 329.338 -0.289 20 0 EBADML Cc1cnn(C[C@@H]([N-]S(=O)(=O)c2c(C)onc2N)C(=O)[O-])c1 ZINC000570688286 420660263 /nfs/dbraw/zinc/66/02/63/420660263.db2.gz YKRRJMYUBGBNCC-MRVPVSSYSA-N -2 1 329.338 -0.498 20 0 EBADML Cn1cc(S(=O)(=O)[N-][C@H](CC2CCC2)C(=O)[O-])c(=O)n(C)c1=O ZINC000530526668 272900929 /nfs/dbraw/zinc/90/09/29/272900929.db2.gz JAUMFJPGJXZUHI-SECBINFHSA-N -2 1 345.377 -0.994 20 0 EBADML Cc1cc(C(=O)N[C@H]2C(=O)NCC[C@H]2C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000281651478 301145270 /nfs/dbraw/zinc/14/52/70/301145270.db2.gz BKBWXXYMUNECDK-LHLIQPBNSA-N -2 1 331.332 -0.001 20 0 EBADML Cc1cc(C(=O)NC[C@@H](O)c2cnn(C)c2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000762529948 583248148 /nfs/dbraw/zinc/24/81/48/583248148.db2.gz UILQGSDASZSDRS-SNVBAGLBSA-N -2 1 344.331 -0.059 20 0 EBADML O=C([O-])[C@@H]1CC(C(=O)NN2CC(=O)[N-]C2=O)=NN1c1ccccc1 ZINC000819696263 583759484 /nfs/dbraw/zinc/75/94/84/583759484.db2.gz HBCZAQCOLGDRJN-JTQLQIEISA-N -2 1 331.288 -0.711 20 0 EBADML CS(=O)(=O)[N-]c1ccsc1C(=O)OCC(=O)NCC(=O)[O-] ZINC000820894607 583782657 /nfs/dbraw/zinc/78/26/57/583782657.db2.gz ZAWOXUIBOHYZGV-UHFFFAOYSA-N -2 1 336.347 -0.523 20 0 EBADML C[C@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)CCn2cc[n-]c(=O)c2=O)C1 ZINC000825210037 583856259 /nfs/dbraw/zinc/85/62/59/583856259.db2.gz HLBLXYYANNUIER-WDEREUQCSA-N -2 1 338.364 -0.179 20 0 EBADML COCCn1cc(S(=O)(=O)[N-]c2n[nH]cc2-c2nn[n-]n2)cn1 ZINC000826163941 583886276 /nfs/dbraw/zinc/88/62/76/583886276.db2.gz RJZRJEJLITXDGQ-UHFFFAOYSA-N -2 1 339.341 -0.767 20 0 EBADML CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)CCn1cc[n-]c(=O)c1=O ZINC000827002184 583913683 /nfs/dbraw/zinc/91/36/83/583913683.db2.gz WKGVSBLXOPARDP-SNVBAGLBSA-N -2 1 327.337 -0.737 20 0 EBADML C[C@H](CC(N)=O)NC(=O)c1ccc(-n2[n-]c(CC(=O)[O-])cc2=O)cc1 ZINC000827398390 583920666 /nfs/dbraw/zinc/92/06/66/583920666.db2.gz YQIHTGXRZIYYGU-SECBINFHSA-N -2 1 346.343 -0.214 20 0 EBADML CNC(=O)[C@@H](C)NC(=O)c1ccc(-n2[n-]c(CC(=O)[O-])cc2=O)cc1 ZINC000831005613 583974325 /nfs/dbraw/zinc/97/43/25/583974325.db2.gz SYJYUXBOYQIOEG-SECBINFHSA-N -2 1 346.343 -0.343 20 0 EBADML O=C([O-])N1CCSC[C@H]1CC(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000831403555 583982390 /nfs/dbraw/zinc/98/23/90/583982390.db2.gz YIRYUDBRJIEXPD-RKDXNWHRSA-N -2 1 342.381 -0.415 20 0 EBADML CNC(=O)CC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000851704054 584200673 /nfs/dbraw/zinc/20/06/73/584200673.db2.gz RUVVAAYZHAPITJ-MUWHJKNJSA-N -2 1 339.270 -0.755 20 0 EBADML CCO[N-]C(=O)CNC(=O)N1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC000875698717 584504910 /nfs/dbraw/zinc/50/49/10/584504910.db2.gz XPXGTXPYSVXHGI-UHFFFAOYSA-N -2 1 326.275 -0.626 20 0 EBADML CCC(CC)(CNC(=O)[O-])NC(=O)CCn1cc[n-]c(=O)c1=O ZINC000739248646 602790158 /nfs/dbraw/zinc/79/01/58/602790158.db2.gz BKATXMUFFLFHDX-UHFFFAOYSA-N -2 1 326.353 -0.131 20 0 EBADML CNC(=O)[N-][N-]S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F ZINC000057124769 649960110 /nfs/dbraw/zinc/96/01/10/649960110.db2.gz DFCHAIPJSMTONO-UHFFFAOYSA-N -2 1 340.358 -0.681 20 0 EBADML O=C([O-])Cn1cc(C[N-]S(=O)(=O)c2cccnc2Cl)nn1 ZINC000167256770 649977938 /nfs/dbraw/zinc/97/79/38/649977938.db2.gz LKIGBLRPVMOZPS-UHFFFAOYSA-N -2 1 331.741 -0.110 20 0 EBADML Cc1[nH]nc(C(=O)N2CC[C@H](CN(C)Cc3n[nH]c(=O)[n-]3)C2)c1[O-] ZINC001029707548 730485347 /nfs/dbraw/zinc/48/53/47/730485347.db2.gz BBEUZBWWJOXTDR-SECBINFHSA-N -2 1 335.368 -0.158 20 0 EBADML CC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000400634897 803776404 /nfs/dbraw/zinc/77/64/04/803776404.db2.gz MBGCUBBXTVUSCN-DTWKUNHWSA-N -2 1 347.393 -0.748 20 0 EBADML COCc1cc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])[n-]c(=S)n1 ZINC001225936631 811837959 /nfs/dbraw/zinc/83/79/59/811837959.db2.gz BNTGLGGSIMMNIB-RCOVLWMOSA-N -3 1 346.317 -0.647 20 0 EBADML CCc1cnc(=S)[n-]c1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001227064959 811902363 /nfs/dbraw/zinc/90/23/63/811902363.db2.gz XRTOTOZKAXSWFG-HTRCEHHLSA-N -3 1 330.318 -0.231 20 0 EBADML Cc1n[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2nc(=O)n(C)[n-]2)c1[O-] ZINC001096962181 818914305 /nfs/dbraw/zinc/91/43/05/818914305.db2.gz FLYITVUIXSPMHC-BBBLOLIVSA-N -2 1 347.379 -0.619 20 0 EBADML O=C(NCCNCc1nc(-c2ccco2)no1)c1nnc([O-])[n-]c1=O ZINC001130863896 828981710 /nfs/dbraw/zinc/98/17/10/828981710.db2.gz XXESQSHHVTYKSD-UHFFFAOYSA-N -2 1 347.291 -0.555 20 0 EBADML O=C(N[C@H]1SC(=O)[N-]C1=O)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001148926117 830557114 /nfs/dbraw/zinc/55/71/14/830557114.db2.gz DLAJNDRZRLDAIV-VIFPVBQESA-N -3 1 332.315 -0.322 20 0 EBADML Cc1cc(C=O)c([O-])c(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c1 ZINC001600186327 970774971 /nfs/dbraw/zinc/77/49/71/970774971.db2.gz RPRWRBDOUBWSPN-LLVKDONJSA-N -2 1 341.341 -0.163 20 0 EBADML O=C([O-])[C@H]1CC(=O)N(C2CCN(C(=O)CCc3nn[n-]n3)CC2)C1 ZINC001594894926 954558507 /nfs/dbraw/zinc/55/85/07/954558507.db2.gz CAVSNWKHBTXMRK-VIFPVBQESA-N -2 1 336.352 -0.944 20 0 EBADML C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@](COC)(C(=O)[O-])C2)o1 ZINC001593801914 954855348 /nfs/dbraw/zinc/85/53/48/954855348.db2.gz KTQVFQXVBVROME-ZDUSSCGKSA-N -2 1 346.361 -0.249 20 0 EBADML O=C([O-])[C@H]1CS(=O)(=O)CCN1CCC[N-]C(=O)C(F)(F)F ZINC001594961536 955019071 /nfs/dbraw/zinc/01/90/71/955019071.db2.gz MBMSAESWBBNKRU-SSDOTTSWSA-N -2 1 332.300 -0.761 20 0 EBADML CS(=O)(=O)c1cccnc1C(=O)[N-]c1ncn(CC(=O)[O-])n1 ZINC001594175876 959039881 /nfs/dbraw/zinc/03/98/81/959039881.db2.gz DLSXNQCDXZIWGS-UHFFFAOYSA-N -2 1 325.306 -0.587 20 0 EBADML COC(=O)C1CC2(C1)CN(C(=O)CCc1nn[n-]n1)C[C@@H]2C(=O)[O-] ZINC001604280092 972854021 /nfs/dbraw/zinc/85/40/21/972854021.db2.gz KOSNYCLJKXAIJN-ZYTOWTHASA-N -2 1 337.336 -0.755 20 0 EBADML CC[C@](COC)([N-]S(=O)(=O)N1CCC[C@H]1C(=O)[O-])C(=O)OC ZINC001603574538 973710744 /nfs/dbraw/zinc/71/07/44/973710744.db2.gz FIWNMAWKLAIZJC-JOYOIKCWSA-N -2 1 338.382 -0.662 20 0 EBADML Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N[C@@H](CC1OCCO1)C(=O)[O-] ZINC001599941179 985456632 /nfs/dbraw/zinc/45/66/32/985456632.db2.gz BESSYGIZKKEOMC-LURJTMIESA-N -2 1 329.334 -0.275 20 0 EBADML C[C@H]1SC[C@@H](C(=O)NCCC(=O)[O-])N1C(=O)CCc1nn[n-]n1 ZINC001594656242 986903448 /nfs/dbraw/zinc/90/34/48/986903448.db2.gz KNISTOPFSGEIIY-SFYZADRCSA-N -2 1 342.381 -0.987 20 0 EBADML C[C@@H](NC(=O)c1ccc(-n2[n-]c(CC(=O)[O-])cc2=O)cc1)C(N)=O ZINC001593155853 993969672 /nfs/dbraw/zinc/96/96/72/993969672.db2.gz DYBGHEUQIKAQKR-MRVPVSSYSA-N -2 1 332.316 -0.604 20 0 EBADML C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](OC)C[C@H]2C(=O)[O-])o1 ZINC001598674986 994826357 /nfs/dbraw/zinc/82/63/57/994826357.db2.gz WRSXCTDEUHKCNJ-BDAKNGLRSA-N -2 1 346.361 -0.108 20 0 EBADML COC(=O)[C@@H]([N-]S(=O)(=O)CC1(C(=O)[O-])CCC1)c1ccnn1C ZINC001598708761 995321617 /nfs/dbraw/zinc/32/16/17/995321617.db2.gz HWUNGQNRBKJIES-JTQLQIEISA-N -2 1 345.377 -0.192 20 0 EBADML CO[C@@H]1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)[C@@H](C(=O)[O-])C1 ZINC001599118237 997691928 /nfs/dbraw/zinc/69/19/28/997691928.db2.gz AGKRDZMXLRNTJV-NXEZZACHSA-N -2 1 325.321 -0.983 20 0 EBADML CO[C@H]1CN(C(=O)CNC(=O)c2ncccc2[O-])[C@@](C)(C(=O)[O-])C1 ZINC001599132892 997983774 /nfs/dbraw/zinc/98/37/74/997983774.db2.gz GOCCSVPYLYEKDM-RFAUZJTJSA-N -2 1 337.332 -0.392 20 0 EBADML COC(=O)c1cc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)C(=O)[O-])n[nH]1 ZINC001598953375 998195334 /nfs/dbraw/zinc/19/53/34/998195334.db2.gz BBHAGPVIIAKYID-YFKPBYRVSA-N -2 1 345.255 -0.120 20 0 EBADML CC(C)CN(Cc1nnn[n-]1)C(=O)CNC(=O)c1ncccc1[O-] ZINC001364650395 1132383991 /nfs/dbraw/zinc/38/39/91/1132383991.db2.gz GUZQIRDXBBJWHJ-UHFFFAOYSA-N -2 1 333.352 -0.285 20 0 EBADML COC(=O)c1cc(F)cc(S(=O)(=O)[N-]C[C@@H](O)C(=O)[O-])c1F ZINC000600654564 376478256 /nfs/dbraw/zinc/47/82/56/376478256.db2.gz AHJSXRNGZRLGRJ-SSDOTTSWSA-N -2 1 339.272 -0.525 20 0 EBADML Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCCc1nc(=O)o[n-]1 ZINC000280249571 379975175 /nfs/dbraw/zinc/97/51/75/379975175.db2.gz ZFNRQWVOVKMQLE-UHFFFAOYSA-N -2 1 332.320 -0.783 20 0 EBADML Cc1cc(C(=O)N[C@@H](CO)c2cnn(C)c2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000538702186 379978684 /nfs/dbraw/zinc/97/86/84/379978684.db2.gz YTQDAMAXSQBMIN-JTQLQIEISA-N -2 1 344.331 -0.059 20 0 EBADML Cc1cc(C(=O)NC[C@@H]2CC(C(N)=O)=NO2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000281484305 380026292 /nfs/dbraw/zinc/02/62/92/380026292.db2.gz FDVVRAIMUNDCLQ-LURJTMIESA-N -2 1 346.303 -0.896 20 0 EBADML Cc1cc(C(=O)N[C@H](C)C(=O)NCCF)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000282312004 380069064 /nfs/dbraw/zinc/06/90/64/380069064.db2.gz MUQXHSVAVFSTOC-SSDOTTSWSA-N -2 1 337.311 -0.052 20 0 EBADML C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@]2(C(=O)[O-])CCCOC2)o1 ZINC000630336104 380040985 /nfs/dbraw/zinc/04/09/85/380040985.db2.gz LVSRPKSWXSSMIX-CYBMUJFWSA-N -2 1 346.361 -0.201 20 0 EBADML Cn1cc(S(=O)(=O)[N-][C@H]2CCC[C@@]2(C)C(=O)[O-])c(=O)n(C)c1=O ZINC000322594558 380581046 /nfs/dbraw/zinc/58/10/46/380581046.db2.gz VQVXTCXGFTZYOQ-TVQRCGJNSA-N -2 1 345.377 -0.994 20 0 EBADML Cc1nc(S(=O)(=O)[N-][C@@H](CO)C(=O)[O-])c(Br)n1C ZINC000287090601 381694858 /nfs/dbraw/zinc/69/48/58/381694858.db2.gz CWEGNKZFOYSLBO-YFKPBYRVSA-N -2 1 342.171 -0.785 20 0 EBADML CCNC(=O)C1CN(C(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)C1 ZINC000443604368 382136125 /nfs/dbraw/zinc/13/61/25/382136125.db2.gz NQECYDCDQQFKHV-UHFFFAOYSA-N -2 1 331.332 -0.047 20 0 EBADML Cc1cc(C(=O)N[C@H](C)CS(C)(=O)=O)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000266118863 154336077 /nfs/dbraw/zinc/33/60/77/154336077.db2.gz LXGDHBUUFOMWJB-SSDOTTSWSA-N -2 1 340.361 -0.093 20 0 EBADML COC(=O)[C@H](CNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1)OC ZINC000294191531 155056470 /nfs/dbraw/zinc/05/64/70/155056470.db2.gz XJMCRLBDRDWRFC-QMMMGPOBSA-N -2 1 336.304 -0.338 20 0 EBADML CNC(=O)N[C@@H]1CCN(C(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)C1 ZINC000344967276 156286726 /nfs/dbraw/zinc/28/67/26/156286726.db2.gz MCWGCHDDWDPZAX-MRVPVSSYSA-N -2 1 346.347 -0.112 20 0 EBADML O=C([O-])CNC(=O)C[N-]S(=O)(=O)c1ncccc1C(F)(F)F ZINC000647122441 419001733 /nfs/dbraw/zinc/00/17/33/419001733.db2.gz GPTOLQPCAVGWLU-UHFFFAOYSA-N -2 1 341.267 -0.421 20 0 EBADML COC(=O)[C@H]1COCCN1C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000267701892 419318296 /nfs/dbraw/zinc/31/82/96/419318296.db2.gz JENPBIUZFAIVHW-SECBINFHSA-N -2 1 348.315 -0.242 20 0 EBADML Cc1cc(C(=O)NCc2cncnc2N)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000342138000 420663375 /nfs/dbraw/zinc/66/33/75/420663375.db2.gz WXRAOWHWZWNVBX-UHFFFAOYSA-N -2 1 327.304 0.047 20 0 EBADML CO[C@H](CS(=O)(=O)[N-]c1cnn(C)c1C(=O)[O-])[C@@H]1CCOC1 ZINC000656626669 420899016 /nfs/dbraw/zinc/89/90/16/420899016.db2.gz NVFUKOPNJKTVQN-PSASIEDQSA-N -2 1 333.366 -0.089 20 0 EBADML CC(C)(C)n1nnc(C[N-]S(=O)(=O)c2cccnc2C(=O)[O-])n1 ZINC000656180690 420882861 /nfs/dbraw/zinc/88/28/61/420882861.db2.gz MDOJLGIUINWOON-UHFFFAOYSA-N -2 1 340.365 0.000 20 0 EBADML Cc1cc(C(=O)N[C@@H]2CCC(=O)N(C)C2=O)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000425087936 265082205 /nfs/dbraw/zinc/08/22/05/265082205.db2.gz LRCYSJSREODAGP-SSDOTTSWSA-N -2 1 345.315 -0.378 20 0 EBADML CCC[C@@H](O)[C@@H]([N-]S(=O)(=O)c1ncn(C)c1Cl)C(=O)[O-] ZINC000776612885 582597227 /nfs/dbraw/zinc/59/72/27/582597227.db2.gz CTBMBBVVRPDATP-RNFRBKRXSA-N -2 1 325.774 -0.034 20 0 EBADML Cn1cnc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccnn2C)c1Cl ZINC000819090338 583754908 /nfs/dbraw/zinc/75/49/08/583754908.db2.gz UIXWMLNOBFIPNJ-ZETCQYMHSA-N -2 1 333.757 -0.089 20 0 EBADML C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC000825001331 583853723 /nfs/dbraw/zinc/85/37/23/583853723.db2.gz ZGPVWJQLYQROCW-MRVPVSSYSA-N -2 1 343.355 -0.809 20 0 EBADML O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)c1n[n-]c2ccccc2c1=O ZINC000739633853 600484135 /nfs/dbraw/zinc/48/41/35/600484135.db2.gz IRMOVPMBPKZIPI-SNVBAGLBSA-N -2 1 330.300 -0.249 20 0 EBADML O=C([O-])C[C@@H]1CSCCN1C(=O)CCn1cc[n-]c(=O)c1=O ZINC000739647461 600699107 /nfs/dbraw/zinc/69/91/07/600699107.db2.gz DBVCHLDTTORUJH-SECBINFHSA-N -2 1 327.362 -0.655 20 0 EBADML CC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000400634903 803776689 /nfs/dbraw/zinc/77/66/89/803776689.db2.gz MBGCUBBXTVUSCN-RKDXNWHRSA-N -2 1 347.393 -0.748 20 0 EBADML CC[C@H](C)C[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000400634900 803777080 /nfs/dbraw/zinc/77/70/80/803777080.db2.gz MBGCUBBXTVUSCN-IUCAKERBSA-N -2 1 347.393 -0.748 20 0 EBADML N[C@@H](CC(=O)OCc1ccccc1)C(=O)NCCOP(=O)([O-])[O-] ZINC001220220762 811020778 /nfs/dbraw/zinc/02/07/78/811020778.db2.gz DIMLMLMLTNQMDH-NSHDSACASA-N -2 1 346.276 -0.327 20 0 EBADML CC(=O)c1c(O)cc([O-])cc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001225675058 811822799 /nfs/dbraw/zinc/82/27/99/811822799.db2.gz QTBXTGGKWGMNNT-MADCSZMMSA-N -3 1 342.256 -0.258 20 0 EBADML O=C(Oc1nc(C(F)(F)F)cc(=O)[nH]1)[C@H](O)COP(=O)([O-])[O-] ZINC001225978241 811840542 /nfs/dbraw/zinc/84/05/42/811840542.db2.gz PXKCZAIAUAYQNG-GSVOUGTGSA-N -2 1 348.126 -0.423 20 0 EBADML COc1cnc(=S)[n-]c1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001226247200 811855643 /nfs/dbraw/zinc/85/56/43/811855643.db2.gz UUUMIULETCBKCC-MHTLYPKNSA-N -3 1 332.290 -0.784 20 0 EBADML C[C@@H]1OCc2c1nc(=O)[nH]c2OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001227715758 811940191 /nfs/dbraw/zinc/94/01/91/811940191.db2.gz GBENNCNNHNFTIT-OBXARNEKSA-N -2 1 342.260 -0.785 20 0 EBADML CCS(=O)(=O)[N-]c1cc(S(=O)(=O)[O-])ccc1S(=O)(=O)[O-] ZINC001253355004 812678210 /nfs/dbraw/zinc/67/82/10/812678210.db2.gz FDQDKJTZCAJNMF-UHFFFAOYSA-N -3 1 345.376 -0.058 20 0 EBADML CN1C[C@@H]2CN(C(=O)c3cc(S(=O)(=O)[O-])ccc3[O-])C[C@@H]2C1=O ZINC001148918725 830554800 /nfs/dbraw/zinc/55/48/00/830554800.db2.gz OGUNTSMYMOJLOE-KCJUWKMLSA-N -2 1 340.357 -0.201 20 0 EBADML C[C@@]1(CO)CN(C(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])CC[C@@H]1O ZINC001148917172 830555097 /nfs/dbraw/zinc/55/50/97/830555097.db2.gz NJGPJVXCPZCSDV-JSGCOSHPSA-N -2 1 345.373 -0.156 20 0 EBADML C[C@]1(CO)CCN(C(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])C[C@H]1O ZINC001148917716 830555353 /nfs/dbraw/zinc/55/53/53/830555353.db2.gz VZBIEXDTJGQZRY-TZMCWYRMSA-N -2 1 345.373 -0.156 20 0 EBADML O=C(N[C@H]1C=CS(=O)(=O)C1)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001148927251 830557327 /nfs/dbraw/zinc/55/73/27/830557327.db2.gz JSKQFPXUHOFUEJ-ZETCQYMHSA-N -2 1 333.343 -0.321 20 0 EBADML O=C([O-])c1cc(C(=O)NCc2nnc[nH]2)cc(S(=O)(=O)[O-])c1 ZINC001189934280 834211125 /nfs/dbraw/zinc/21/11/25/834211125.db2.gz SCGVUHGAZAVGOD-UHFFFAOYSA-N -2 1 326.290 -0.320 20 0 EBADML CNC(=S)Nc1ncnc2c1ncn2CCOCP(=O)([O-])[O-] ZINC001200599999 835994625 /nfs/dbraw/zinc/99/46/25/835994625.db2.gz KKZAMQRDGVQATM-UHFFFAOYSA-N -2 1 346.309 -0.106 20 0 EBADML N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1ccc(F)cc1[O-] ZINC001210017356 837224558 /nfs/dbraw/zinc/22/45/58/837224558.db2.gz YPMNQZGNLNNQSP-UHFFFAOYSA-N -2 1 331.285 -0.458 20 0 EBADML CCOC(=O)c1[n-]cnc1CNC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001591005503 951035569 /nfs/dbraw/zinc/03/55/69/951035569.db2.gz CWBVRSHSBCWBQG-UHFFFAOYSA-N -2 1 348.315 -0.237 20 0 EBADML CCOC(=O)c1nc([C@H](C)NC(=O)[C@]2(C(=O)[O-])CCCO2)n[n-]1 ZINC001591278977 951110502 /nfs/dbraw/zinc/11/05/02/951110502.db2.gz CSGGTNFGBWHKDN-CPFSXVBKSA-N -2 1 326.309 -0.208 20 0 EBADML CCOC(=O)c1n[n-]c([C@H](C)NC(=O)[C@]2(C(=O)[O-])CCCO2)n1 ZINC001591278977 951110510 /nfs/dbraw/zinc/11/05/10/951110510.db2.gz CSGGTNFGBWHKDN-CPFSXVBKSA-N -2 1 326.309 -0.208 20 0 EBADML O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001594895721 954563577 /nfs/dbraw/zinc/56/35/77/954563577.db2.gz HFPXSLQNIQJRLH-VDTYLAMSSA-N -2 1 337.258 -0.394 20 0 EBADML O=C([O-])[C@@H]1CS(=O)(=O)CCN1CCC[N-]C(=O)C(F)(F)F ZINC001594961537 955019585 /nfs/dbraw/zinc/01/95/85/955019585.db2.gz MBMSAESWBBNKRU-ZETCQYMHSA-N -2 1 332.300 -0.761 20 0 EBADML C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])no1)c1nnc2n1CCC2 ZINC000315382636 963892931 /nfs/dbraw/zinc/89/29/31/963892931.db2.gz KGIPDRUTSDDIFC-ZCFIWIBFSA-N -2 1 327.322 -0.050 20 0 EBADML COC(=O)c1cc(S(=O)(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)[n-]n1 ZINC001604375817 973092448 /nfs/dbraw/zinc/09/24/48/973092448.db2.gz AJQBWUGXPNFEHG-HTQZYQBOSA-N -2 1 331.350 -0.072 20 0 EBADML COC(=O)c1cc(S(=O)(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)n[n-]1 ZINC001604375817 973092456 /nfs/dbraw/zinc/09/24/56/973092456.db2.gz AJQBWUGXPNFEHG-HTQZYQBOSA-N -2 1 331.350 -0.072 20 0 EBADML CC(=O)NCCNC(=O)c1ccc(-n2[n-]c(CC(=O)[O-])cc2=O)cc1 ZINC001589143461 985454306 /nfs/dbraw/zinc/45/43/06/985454306.db2.gz FVYYZRMITZVMQA-UHFFFAOYSA-N -2 1 346.343 -0.341 20 0 EBADML CC(C)(CS(=O)(=O)N[C@@H](CN1CCCCC1)C(=O)[O-])C(=O)[O-] ZINC001590799416 990629477 /nfs/dbraw/zinc/62/94/77/990629477.db2.gz UTXOUUJRKDPZOF-JTQLQIEISA-N -2 1 336.410 -0.044 20 0 EBADML C[N-]S(=O)(=O)c1ccc(C(=O)O[C@H](CC(=O)OC)C(=O)[O-])o1 ZINC001598673312 994795858 /nfs/dbraw/zinc/79/58/58/994795858.db2.gz VQHPBJVGRISXDD-SSDOTTSWSA-N -2 1 335.290 -0.639 20 0 EBADML C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](OC)C[C@@]2(C)C(=O)[O-])co1 ZINC001598673261 994796391 /nfs/dbraw/zinc/79/63/91/994796391.db2.gz KDMXSGJAWZYUBZ-RNCFNFMXSA-N -2 1 346.361 -0.108 20 0 EBADML C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](Cn2ccnc2)C(=O)[O-])o1 ZINC001598674699 994821149 /nfs/dbraw/zinc/82/11/49/994821149.db2.gz NHSUKEAYUHNRKL-MRVPVSSYSA-N -2 1 342.333 -0.733 20 0 EBADML C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@H](OC)C[C@H]2C(=O)[O-])o1 ZINC001598674988 994827180 /nfs/dbraw/zinc/82/71/80/994827180.db2.gz WRSXCTDEUHKCNJ-IUCAKERBSA-N -2 1 346.361 -0.108 20 0 EBADML COC(=O)[C@@H](CC(F)F)[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001598698270 995178610 /nfs/dbraw/zinc/17/86/10/995178610.db2.gz OFKLUPFXQBRINC-RXMQYKEDSA-N -2 1 327.265 -0.417 20 0 EBADML COC(=O)C1CCC(NC(=O)CCc2nn[n-]n2)(C(=O)[O-])CC1 ZINC001598784092 996013576 /nfs/dbraw/zinc/01/35/76/996013576.db2.gz CHBHARDUIFZWPS-UHFFFAOYSA-N -2 1 325.325 -0.565 20 0 EBADML COC(=O)c1c[nH]nc1S(=O)(=O)[N-]C[C@@H](C(=O)[O-])[C@H]1CCOC1 ZINC001599007207 998865122 /nfs/dbraw/zinc/86/51/22/998865122.db2.gz GJQCBBRBAKAQJC-JGVFFNPUSA-N -2 1 347.349 -0.788 20 0 EBADML Cn1[nH]cnc1=NC([O-])=C([O-])[C@](O)(c1ccccc1)C(F)(F)F ZINC001412731575 1129603992 /nfs/dbraw/zinc/60/39/92/1129603992.db2.gz UTWVGUSAIKXZNA-BXKDBHETSA-N -2 1 330.266 -0.014 20 0 EBADML NC(=O)C[C@H]([N-]S(=O)(=O)c1ncccc1C(F)(F)F)C(=O)[O-] ZINC000650388333 545684252 /nfs/dbraw/zinc/68/42/52/545684252.db2.gz FDXWNADYHGDTJT-LURJTMIESA-N -2 1 341.267 -0.293 20 0 EBADML COC(=O)[C@@H]1OCC[C@@H]1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000598012039 378152257 /nfs/dbraw/zinc/15/22/57/378152257.db2.gz UTWUIGMLNOTRJT-OIBJUYFYSA-N -2 1 348.315 -0.195 20 0 EBADML Cc1cc(C(=O)NCCc2nncn2C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000607049559 378990891 /nfs/dbraw/zinc/99/08/91/378990891.db2.gz BDNSOUOGYBIDGC-UHFFFAOYSA-N -2 1 329.320 -0.155 20 0 EBADML COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@](C)(CO)CC(=O)[O-])o1 ZINC000275583839 379767127 /nfs/dbraw/zinc/76/71/27/379767127.db2.gz HSBGGVNKTLAZBW-LBPRGKRZSA-N -2 1 335.334 -0.182 20 0 EBADML COC(=O)c1ccc(S(=O)(=O)[N-][C@H](CCC(=O)[O-])C(=O)[O-])o1 ZINC000614327541 379922393 /nfs/dbraw/zinc/92/23/93/379922393.db2.gz CACSFUVFHGAVIL-ZCFIWIBFSA-N -3 1 335.290 -0.338 20 0 EBADML Cc1cc(C(=O)N[C@@H](C)C(=O)NCCF)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000282312007 380069317 /nfs/dbraw/zinc/06/93/17/380069317.db2.gz MUQXHSVAVFSTOC-ZETCQYMHSA-N -2 1 337.311 -0.052 20 0 EBADML COC(=O)c1coc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H]2CCOC2)c1 ZINC000547551742 380143677 /nfs/dbraw/zinc/14/36/77/380143677.db2.gz LHZWXWIIHYMRGX-XVKPBYJWSA-N -2 1 333.318 -0.166 20 0 EBADML CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CC(N)=O)C(=O)[O-])o1 ZINC000548530454 380213425 /nfs/dbraw/zinc/21/34/25/380213425.db2.gz MKVHEMHEHLWZJA-LURJTMIESA-N -2 1 334.306 -0.937 20 0 EBADML COC[C@@H](NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1)C(=O)OC ZINC000351782698 381674023 /nfs/dbraw/zinc/67/40/23/381674023.db2.gz JSZHWRUBUNBRSM-MRVPVSSYSA-N -2 1 336.304 -0.338 20 0 EBADML Cc1nc(S(=O)(=O)[N-]C[C@H](O)C(=O)[O-])c(Br)n1C ZINC000287201438 381701769 /nfs/dbraw/zinc/70/17/69/381701769.db2.gz LVHQVSIURMFBDN-YFKPBYRVSA-N -2 1 342.171 -0.785 20 0 EBADML Cc1cc(C(=O)N2C[C@@H](CO)OC[C@@H]2C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000352629670 382014121 /nfs/dbraw/zinc/01/41/21/382014121.db2.gz JINZYJTWZADPRK-IUCAKERBSA-N -2 1 334.332 -0.034 20 0 EBADML CCCC[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000261707646 154198263 /nfs/dbraw/zinc/19/82/63/154198263.db2.gz OXRAYZVBKLAYPC-QMMMGPOBSA-N -2 1 333.366 -0.994 20 0 EBADML C[N-]S(=O)(=O)c1ccc(C(=O)N2CCO[C@H](CC(=O)[O-])C2)o1 ZINC000262406034 154230339 /nfs/dbraw/zinc/23/03/39/154230339.db2.gz BDDFAKULNCEESJ-MRVPVSSYSA-N -2 1 332.334 -0.497 20 0 EBADML Cc1cc(C(=O)NCCN2CCOCC2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000265800194 154326878 /nfs/dbraw/zinc/32/68/78/154326878.db2.gz KCGZVXTZTWFZMU-UHFFFAOYSA-N -2 1 333.348 -0.194 20 0 EBADML Cc1cc(C(=O)N[C@@H](C)CS(C)(=O)=O)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000266118865 154335423 /nfs/dbraw/zinc/33/54/23/154335423.db2.gz LXGDHBUUFOMWJB-ZETCQYMHSA-N -2 1 340.361 -0.093 20 0 EBADML O=C(CCn1cc[n-]c(=O)c1=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000733152307 582856328 /nfs/dbraw/zinc/85/63/28/582856328.db2.gz JYCVJSFXSDYALA-UHFFFAOYSA-N -2 1 341.331 -0.577 20 0 EBADML COc1ccc([C@@H](NC(=O)CCn2cc[n-]c(=O)c2=O)C(=O)[O-])cc1 ZINC000737960055 583035458 /nfs/dbraw/zinc/03/54/58/583035458.db2.gz TXXBINGZDWWQLS-CYBMUJFWSA-N -2 1 347.327 -0.123 20 0 EBADML Cn1cnc(S(=O)(=O)[N-]Cc2cn(CC(=O)[O-])nn2)c1Cl ZINC000776627900 583407752 /nfs/dbraw/zinc/40/77/52/583407752.db2.gz MOZZFEQSIPFWTL-UHFFFAOYSA-N -2 1 334.745 -0.772 20 0 EBADML CCCN(C)S(=O)(=O)[N-]C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821088854 583784628 /nfs/dbraw/zinc/78/46/28/583784628.db2.gz YLVAVOJFAHGOGQ-UHFFFAOYSA-N -2 1 325.354 -0.422 20 0 EBADML CCCN(C)S(=O)(=O)[N-]C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821088854 583784629 /nfs/dbraw/zinc/78/46/29/583784629.db2.gz YLVAVOJFAHGOGQ-UHFFFAOYSA-N -2 1 325.354 -0.422 20 0 EBADML CCn1cc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nnn[n-]3)nc2)cn1 ZINC000821566676 583793483 /nfs/dbraw/zinc/79/34/83/583793483.db2.gz OYAFTDOKJVNNSO-UHFFFAOYSA-N -2 1 348.348 -0.403 20 0 EBADML CCn1cc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nn[n-]n3)nc2)cn1 ZINC000821566676 583793485 /nfs/dbraw/zinc/79/34/85/583793485.db2.gz OYAFTDOKJVNNSO-UHFFFAOYSA-N -2 1 348.348 -0.403 20 0 EBADML O=C([O-])Cc1cccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000823387656 583828840 /nfs/dbraw/zinc/82/88/40/583828840.db2.gz SMLHTOMWWCPXLH-UHFFFAOYSA-N -2 1 328.292 -0.276 20 0 EBADML NC(=O)CCNC(=O)c1ccc(-n2[n-]c(CC(=O)[O-])cc2=O)cc1 ZINC000833081127 584004562 /nfs/dbraw/zinc/00/45/62/584004562.db2.gz CDKKREJXQDGDSR-UHFFFAOYSA-N -2 1 332.316 -0.602 20 0 EBADML Cc1onc(N)c1S(=O)(=O)[N-][C@H](Cc1ccncn1)C(=O)[O-] ZINC000844804548 584097231 /nfs/dbraw/zinc/09/72/31/584097231.db2.gz NTUJNSDTAMAKGU-MRVPVSSYSA-N -2 1 327.322 -0.671 20 0 EBADML O=C([O-])COc1ccc(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)cc1 ZINC000739823566 600261673 /nfs/dbraw/zinc/26/16/73/600261673.db2.gz BCKCFSZZLLNRRS-NSHDSACASA-N -2 1 333.304 -0.123 20 0 EBADML O=C(COC1CN(C(=O)[O-])C1)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC000831529308 603473074 /nfs/dbraw/zinc/47/30/74/603473074.db2.gz JATOUMBWDILLKD-LBPRGKRZSA-N -2 1 332.320 -0.216 20 0 EBADML N#Cc1cccc(S(=O)(=O)[N-][N-]C(=O)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000014870868 803742072 /nfs/dbraw/zinc/74/20/72/803742072.db2.gz CMGNSRYHRQNFPA-SNVBAGLBSA-N -2 1 343.386 -0.698 20 0 EBADML O=C([O-])C[C@@H](C(=O)Oc1[nH]c(=O)nc2ccccc21)[C@@H](O)C(=O)[O-] ZINC001226980316 811894464 /nfs/dbraw/zinc/89/44/64/811894464.db2.gz IBGYRLYFWPYAIL-GMSGAONNSA-N -2 1 336.256 -0.223 20 0 EBADML O=C([O-])C[C@H](C(=O)Oc1[nH]c(=S)nc2nc[n-]c21)[C@H](O)C(=O)[O-] ZINC001227615761 811930585 /nfs/dbraw/zinc/93/05/85/811930585.db2.gz FFQKRDYJMLNKJW-DZSWIPIPSA-N -3 1 342.289 -0.917 20 0 EBADML C[C@@H]1OCc2c1nc(=O)[nH]c2OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001227715760 811940393 /nfs/dbraw/zinc/94/03/93/811940393.db2.gz GBENNCNNHNFTIT-ZDEZVYLVSA-N -2 1 342.260 -0.785 20 0 EBADML COC(=O)CS(=O)(=O)[N-]c1nc[n-]c(=O)c1Br ZINC001259018898 812801706 /nfs/dbraw/zinc/80/17/06/812801706.db2.gz YEKQGOKAOLJVAQ-UHFFFAOYSA-N -2 1 326.128 -0.141 20 0 EBADML O=C(c1cc(S(=O)(=O)[O-])ccc1[O-])N1CC[C@H](CO)[C@@H](O)C1 ZINC001148917822 830556009 /nfs/dbraw/zinc/55/60/09/830556009.db2.gz ZCSZKAZCQWLBGA-PELKAZGASA-N -2 1 331.346 -0.546 20 0 EBADML O=C(c1cccnc1NCCOP(=O)([O-])[O-])N1CCNCC1 ZINC001157791450 831593224 /nfs/dbraw/zinc/59/32/24/831593224.db2.gz OOLWUUVOLRITFY-UHFFFAOYSA-N -2 1 330.281 -0.352 20 0 EBADML C[C@H]1[C@H](NC(=O)c2cc([O-])cnc2Cl)C(=O)N1S(=O)(=O)[O-] ZINC001195313056 835213616 /nfs/dbraw/zinc/21/36/16/835213616.db2.gz OTFREEJSYFEUHV-FFWSUHOLSA-N -2 1 335.725 -0.428 20 0 EBADML O=C([O-])[C@@H](Cc1ccncc1)NC(=O)CCn1cc[n-]c(=O)c1=O ZINC001329934125 841066387 /nfs/dbraw/zinc/06/63/87/841066387.db2.gz NMNAYGSGOCJNOZ-LLVKDONJSA-N -2 1 332.316 -0.866 20 0 EBADML COC(=O)c1cc(S(=O)(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)[n-]n1 ZINC001593875368 955661579 /nfs/dbraw/zinc/66/15/79/955661579.db2.gz MULMSRQGRWGBDI-SFYZADRCSA-N -2 1 331.350 -0.072 20 0 EBADML COC(=O)c1cc(S(=O)(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)n[n-]1 ZINC001593875368 955661584 /nfs/dbraw/zinc/66/15/84/955661584.db2.gz MULMSRQGRWGBDI-SFYZADRCSA-N -2 1 331.350 -0.072 20 0 EBADML COC(=O)c1ccc(S(=O)(=O)[N-]C[C@]2(C(=O)[O-])CCOC2)o1 ZINC001571208464 962428616 /nfs/dbraw/zinc/42/86/16/962428616.db2.gz RIEDKDMLVYLGFY-GFCCVEGCSA-N -2 1 333.318 -0.164 20 0 EBADML COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@]2(C(=O)[O-])CCOC2)o1 ZINC001571208465 962428708 /nfs/dbraw/zinc/42/87/08/962428708.db2.gz RIEDKDMLVYLGFY-LBPRGKRZSA-N -2 1 333.318 -0.164 20 0 EBADML CCC(CC)(NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)c1nn[n-]n1 ZINC001603543090 973597408 /nfs/dbraw/zinc/59/74/08/973597408.db2.gz FJAJCKMFKQOZRV-VIFPVBQESA-N -2 1 338.368 -0.346 20 0 EBADML O=C([O-])COCCOCC[N-]S(=O)(=O)c1c[nH]nc1Cl ZINC001606286395 973685489 /nfs/dbraw/zinc/68/54/89/973685489.db2.gz WASHAVSWKYHWGK-UHFFFAOYSA-N -2 1 327.746 -0.541 20 0 EBADML CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCN(CC(=O)[O-])CC1 ZINC001591858563 976149329 /nfs/dbraw/zinc/14/93/29/976149329.db2.gz APKPSBWTJIUXIX-JTQLQIEISA-N -2 1 339.314 -0.082 20 0 EBADML CC[C@@](COC)(NC(=O)c1coc(S(=O)(=O)[N-]C)c1)C(=O)[O-] ZINC001595195202 979910747 /nfs/dbraw/zinc/91/07/47/979910747.db2.gz WOOFFIORNDJQEA-LBPRGKRZSA-N -2 1 334.350 -0.203 20 0 EBADML C[C@H](NC(=O)[C@H](C)NC(=O)c1ccc2n[n-]c(=S)n2c1)C(=O)[O-] ZINC001599900036 984803723 /nfs/dbraw/zinc/80/37/23/984803723.db2.gz VPRBDCGAYLOCPY-BQBZGAKWSA-N -2 1 337.361 -0.274 20 0 EBADML CC(=O)N[C@@H](C[S@](=O)CCC[N-]C(=O)C(F)(F)F)C(=O)[O-] ZINC001589156385 985483235 /nfs/dbraw/zinc/48/32/35/985483235.db2.gz RXKYGWJFDXLSOD-MWAODPMSSA-N -2 1 332.300 -0.607 20 0 EBADML CSc1nc(=O)[n-]c(C)c1C(=O)NCCC(=O)NCCC(=O)[O-] ZINC001599827142 988614621 /nfs/dbraw/zinc/61/46/21/988614621.db2.gz JRQUUTXUEBWTRN-UHFFFAOYSA-N -2 1 342.377 -0.077 20 0 EBADML CN(C)[S@](C)(=O)=NS(=O)(=O)[N-][C@@]1(CC(=O)[O-])CCOC1 ZINC001598283300 991172259 /nfs/dbraw/zinc/17/22/59/991172259.db2.gz HTJMBHIQSZUIJI-AYLIAGHASA-N -2 1 329.400 -0.971 20 0 EBADML CC(C)C[C@H](C[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O)C(=O)[O-] ZINC001591162500 991923244 /nfs/dbraw/zinc/92/32/44/991923244.db2.gz GTPFABHRZOATKH-MRVPVSSYSA-N -2 1 333.366 -0.489 20 0 EBADML C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)co1 ZINC001598673289 994795493 /nfs/dbraw/zinc/79/54/93/994795493.db2.gz LBTOTQKJMANBJZ-CBAPKCEASA-N -2 1 332.334 -0.498 20 0 EBADML CNS(=O)(=O)c1cc(C(=O)N2CC[NH+](CC(=O)[O-])CC2)c(C)o1 ZINC001598673520 994799990 /nfs/dbraw/zinc/79/99/90/994799990.db2.gz RLXNKJDWHJGTDK-UHFFFAOYSA-N -2 1 345.377 -0.661 20 0 EBADML COC(=O)c1cc(S(=O)(=O)N2CC[C@@H](OC)C[C@H]2C(=O)[O-])[n-]n1 ZINC001598952539 998180255 /nfs/dbraw/zinc/18/02/55/998180255.db2.gz YQZSCQUZJQYOIE-APPZFPTMSA-N -2 1 347.349 -0.551 20 0 EBADML COC(=O)c1cc(S(=O)(=O)N2CC[C@@H](OC)C[C@H]2C(=O)[O-])n[n-]1 ZINC001598952539 998180265 /nfs/dbraw/zinc/18/02/65/998180265.db2.gz YQZSCQUZJQYOIE-APPZFPTMSA-N -2 1 347.349 -0.551 20 0 EBADML NC(=O)c1cc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)ccn1 ZINC001260393330 1130544737 /nfs/dbraw/zinc/54/47/37/1130544737.db2.gz FPBXDROAHFCRBF-UHFFFAOYSA-N -2 1 337.313 -0.193 20 0 EBADML Cc1cc(C(=O)N2CCC(O)(CO)CC2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC001362927769 1131715464 /nfs/dbraw/zinc/71/54/64/1131715464.db2.gz BPTCFUFKKWEREL-UHFFFAOYSA-N -2 1 334.332 -0.296 20 0 EBADML Cc1cc(C(=O)N2CC[C@H](O)[C@@H](CO)C2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC001363370278 1131918485 /nfs/dbraw/zinc/91/84/85/1131918485.db2.gz QCZZHMQODRUSRY-SCZZXKLOSA-N -2 1 334.332 -0.440 20 0 EBADML Cn1cnc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(=O)[O-])c1Cl ZINC000274919161 379723686 /nfs/dbraw/zinc/72/36/86/379723686.db2.gz AROHNRMXYPVUJG-RXMQYKEDSA-N -3 1 325.730 -0.473 20 0 EBADML COC(=O)CC[C@@H]([N-]S(=O)(=O)c1ncn(C)c1Cl)C(=O)[O-] ZINC000275171658 379740391 /nfs/dbraw/zinc/74/03/91/379740391.db2.gz CELLHUWYWFVLSS-ZCFIWIBFSA-N -2 1 339.757 -0.242 20 0 EBADML COC(=O)CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)co1)C(=O)[O-] ZINC000275300198 379748076 /nfs/dbraw/zinc/74/80/76/379748076.db2.gz QIRSJJLKAGSEPZ-QMMMGPOBSA-N -2 1 349.317 -0.249 20 0 EBADML CCC[C@@H](O)[C@H]([N-]S(=O)(=O)c1n[nH]cc1C(=O)OCC)C(=O)[O-] ZINC000548232586 380192235 /nfs/dbraw/zinc/19/22/35/380192235.db2.gz UHHVVLAFTCZANC-BDAKNGLRSA-N -2 1 349.365 -0.521 20 0 EBADML Cn1cc(S(=O)(=O)[N-][C@H]2CCC[C@]2(C)C(=O)[O-])c(=O)n(C)c1=O ZINC000322594560 380580249 /nfs/dbraw/zinc/58/02/49/380580249.db2.gz VQVXTCXGFTZYOQ-ZANVPECISA-N -2 1 345.377 -0.994 20 0 EBADML C[N-]S(=O)(=O)c1cc(C(=O)N(CC(=O)[O-])C2CCOCC2)co1 ZINC000583812633 381148593 /nfs/dbraw/zinc/14/85/93/381148593.db2.gz ORIPBASQSYVFDJ-UHFFFAOYSA-N -2 1 346.361 -0.107 20 0 EBADML COC(=O)c1ccc(S(=O)(=O)[N-]CCn2cc(C(=O)[O-])nn2)o1 ZINC000277313968 292016404 /nfs/dbraw/zinc/01/64/04/292016404.db2.gz LSZVDKUUMUZRGH-UHFFFAOYSA-N -2 1 344.305 -0.666 20 0 EBADML CCCC[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000261707640 154197598 /nfs/dbraw/zinc/19/75/98/154197598.db2.gz OXRAYZVBKLAYPC-MRVPVSSYSA-N -2 1 333.366 -0.994 20 0 EBADML CNC(=O)N[C@H]1CCN(C(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)C1 ZINC000344967280 156287385 /nfs/dbraw/zinc/28/73/85/156287385.db2.gz MCWGCHDDWDPZAX-QMMMGPOBSA-N -2 1 346.347 -0.112 20 0 EBADML C[N-]S(=O)(=O)c1cc(C(=O)N=c2nc(COC)[n-]s2)co1 ZINC000345767000 156359411 /nfs/dbraw/zinc/35/94/11/156359411.db2.gz GBRASNDRLJNQPQ-UHFFFAOYSA-N -2 1 332.363 -0.140 20 0 EBADML Cc1onc(N)c1S(=O)(=O)[N-][C@@H](Cc1cnn(C)c1)C(=O)[O-] ZINC000579480811 420660358 /nfs/dbraw/zinc/66/03/58/420660358.db2.gz YNTPWBWCSVWGAN-QMMMGPOBSA-N -2 1 329.338 -0.727 20 0 EBADML Cc1onc(N)c1S(=O)(=O)[N-][C@H](Cc1cnn(C)c1)C(=O)[O-] ZINC000579480810 420660391 /nfs/dbraw/zinc/66/03/91/420660391.db2.gz YNTPWBWCSVWGAN-MRVPVSSYSA-N -2 1 329.338 -0.727 20 0 EBADML O=C([N-]S(=O)(=O)N1CCCCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738138579 583042939 /nfs/dbraw/zinc/04/29/39/583042939.db2.gz GDSFBHFYOPPBAQ-UHFFFAOYSA-N -2 1 337.365 -0.278 20 0 EBADML O=C([N-]S(=O)(=O)N1CCCCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738138579 583042942 /nfs/dbraw/zinc/04/29/42/583042942.db2.gz GDSFBHFYOPPBAQ-UHFFFAOYSA-N -2 1 337.365 -0.278 20 0 EBADML Cn1cc(C[C@H]([N-]S(=O)(=O)c2c[nH]nc2Cl)C(=O)[O-])cn1 ZINC000819092605 583754959 /nfs/dbraw/zinc/75/49/59/583754959.db2.gz ASPPUEHUBJBQLM-ZETCQYMHSA-N -2 1 333.757 -0.229 20 0 EBADML C[C@@H](NC(=O)[O-])[C@H]1CCCN(C(=O)CCn2cc[n-]c(=O)c2=O)C1 ZINC000825210035 583856289 /nfs/dbraw/zinc/85/62/89/583856289.db2.gz HLBLXYYANNUIER-MNOVXSKESA-N -2 1 338.364 -0.179 20 0 EBADML O=S(=O)([N-]c1n[nH]cc1-c1nn[n-]n1)c1cccc2nonc21 ZINC000826492605 583906075 /nfs/dbraw/zinc/90/60/75/583906075.db2.gz TYGUGFQKZLIEJK-UHFFFAOYSA-N -2 1 333.293 -0.073 20 0 EBADML CC[C@@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000828677928 583945175 /nfs/dbraw/zinc/94/51/75/583945175.db2.gz OXUSQHKBYIGARV-LBPRGKRZSA-N -2 1 333.366 -0.994 20 0 EBADML C[C@H]1CCN(C(=O)C(=O)N=c2ccnc3n(C)[n-]cc2-3)C[C@H]1C(=O)[O-] ZINC000843046081 584070084 /nfs/dbraw/zinc/07/00/84/584070084.db2.gz MWXKSUOIOPUVLB-GXSJLCMTSA-N -2 1 345.359 -0.151 20 0 EBADML Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)OCC(=O)NCC(=O)[O-] ZINC000738872673 599992410 /nfs/dbraw/zinc/99/24/10/599992410.db2.gz LBDBOJCYYWUZMM-UHFFFAOYSA-N -2 1 336.304 -0.662 20 0 EBADML CCC(CC)([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000316926579 600791107 /nfs/dbraw/zinc/79/11/07/600791107.db2.gz FWCVHIXHAGBNRB-UHFFFAOYSA-N -2 1 333.366 -0.994 20 0 EBADML O=C([O-])CNC(=O)C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000388541334 719414113 /nfs/dbraw/zinc/41/41/13/719414113.db2.gz CIWDJOTXDCHDTR-UHFFFAOYSA-N -2 1 335.269 -0.787 20 0 EBADML O=C([O-])C[C@@H](C(=O)Oc1[n-]c(=S)nc2c1CCC2)[C@@H](O)C(=O)[O-] ZINC001226299963 811859234 /nfs/dbraw/zinc/85/92/34/811859234.db2.gz JXMRTMSGNKTQPE-HZGVNTEJSA-N -3 1 342.329 -0.304 20 0 EBADML O=C([O-])C[C@H](C(=O)Oc1[n-]c(=S)nc2c1CCC2)[C@@H](O)C(=O)[O-] ZINC001226299964 811860137 /nfs/dbraw/zinc/86/01/37/811860137.db2.gz JXMRTMSGNKTQPE-IMTBSYHQSA-N -3 1 342.329 -0.304 20 0 EBADML COC(=O)c1nc(C(C)C)[n-]c(=O)c1OC(=O)[C@@H](O)CC(=O)[O-] ZINC001234561113 812438416 /nfs/dbraw/zinc/43/84/16/812438416.db2.gz QOHDCVIHUQMPTN-LURJTMIESA-N -2 1 328.277 -0.167 20 0 EBADML CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1ncccc1[O-] ZINC001081578601 813227189 /nfs/dbraw/zinc/22/71/89/813227189.db2.gz MIOBVAXSQGBPHS-PSASIEDQSA-N -2 1 334.336 -0.760 20 0 EBADML COC(=O)[C@H](CCC(=O)[O-])NC(=O)c1c(CO)cnc(C)c1[O-] ZINC001147844545 830420348 /nfs/dbraw/zinc/42/03/48/830420348.db2.gz SUVWYKPACYKFFU-VIFPVBQESA-N -2 1 326.305 -0.276 20 0 EBADML CN1CCO[C@H](CNC(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])C1 ZINC001148926549 830556429 /nfs/dbraw/zinc/55/64/29/830556429.db2.gz OYUFKDPWAUWWDD-SECBINFHSA-N -2 1 330.362 -0.301 20 0 EBADML CN1C[C@@H](NC(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])CCC1=O ZINC001148927227 830557301 /nfs/dbraw/zinc/55/73/01/830557301.db2.gz IWOKUWULBZFITE-QMMMGPOBSA-N -2 1 328.346 -0.011 20 0 EBADML CSCC[C@H](NC(=O)c1c[n-]n2c1nccc2=O)c1nn[n-]n1 ZINC001167445003 832340376 /nfs/dbraw/zinc/34/03/76/832340376.db2.gz QVPVTJVDTJXBOA-QMMMGPOBSA-N -2 1 334.365 -0.240 20 0 EBADML COC(=O)CCS(=O)(=O)[N-]c1ccc2c(c1)S(=O)(=O)[N-]C2=O ZINC001188388970 834042477 /nfs/dbraw/zinc/04/24/77/834042477.db2.gz MWJDIRNCGRQCGU-UHFFFAOYSA-N -2 1 348.358 -0.577 20 0 EBADML NS(=O)(=O)c1cc(C(=O)NCc2nn[n-]n2)c([O-])cc1Cl ZINC001191046776 834404035 /nfs/dbraw/zinc/40/40/35/834404035.db2.gz YSJGADGOWPSIJE-UHFFFAOYSA-N -2 1 332.729 -0.864 20 0 EBADML Cc1cc(=O)n2[n-]c([N-]S(=O)(=O)c3ncn(C)c3Cl)nc2n1 ZINC001318989909 838057151 /nfs/dbraw/zinc/05/71/51/838057151.db2.gz DLKWPFAUOZDJSO-UHFFFAOYSA-N -2 1 343.756 -0.086 20 0 EBADML C[C@@H]1CN(C(=O)C(=O)N=c2ccnc3n(C)[n-]cc2-3)CC[C@@H]1C(=O)[O-] ZINC001348243340 843673740 /nfs/dbraw/zinc/67/37/40/843673740.db2.gz DGLWQXDTGWWCHF-ZJUUUORDSA-N -2 1 345.359 -0.151 20 0 EBADML O=C1OC[C@@H]2CN(Cc3cc(=O)n4[n-]cc(-c5nnn[n-]5)c4n3)C[C@H]12 ZINC001570938524 949105995 /nfs/dbraw/zinc/10/59/95/949105995.db2.gz FBJXOQBWOVXHIJ-XVKPBYJWSA-N -2 1 342.319 -0.780 20 0 EBADML O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)C(=O)c1ccc([O-])cc1 ZINC001594668642 956600044 /nfs/dbraw/zinc/60/00/44/956600044.db2.gz XHZIVAAXJQQADD-JTQLQIEISA-N -2 1 327.314 -0.715 20 0 EBADML O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)C(=O)c1ccc([O-])cc1 ZINC001594668643 956600184 /nfs/dbraw/zinc/60/01/84/956600184.db2.gz XHZIVAAXJQQADD-SNVBAGLBSA-N -2 1 327.314 -0.715 20 0 EBADML C[C@@H](C(=O)[O-])N(C(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2)C1CC1 ZINC001588582350 959268844 /nfs/dbraw/zinc/26/88/44/959268844.db2.gz JWGMJTAHKZDRCQ-QMMMGPOBSA-N -2 1 331.332 -0.256 20 0 EBADML CCC[C@](C)([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000314236208 963729432 /nfs/dbraw/zinc/72/94/32/963729432.db2.gz HLXDASRXTIZOKO-LBPRGKRZSA-N -2 1 333.366 -0.994 20 0 EBADML C[C@H](Cc1ccc(NC(=O)C(=O)NCc2nn[n-]n2)cc1)C(=O)[O-] ZINC001592858107 979668844 /nfs/dbraw/zinc/66/88/44/979668844.db2.gz OJJFYJSWKKELSY-MRVPVSSYSA-N -2 1 332.320 -0.282 20 0 EBADML CC[C@](COC)(NS(=O)(=O)c1cc(C(=O)OC)n[n-]1)C(=O)[O-] ZINC001595199392 979940042 /nfs/dbraw/zinc/94/00/42/979940042.db2.gz DIGXGHXDYYGHAG-LLVKDONJSA-N -2 1 335.338 -0.646 20 0 EBADML CC[C@](COC)(NS(=O)(=O)c1cc(C(=O)OC)[n-]n1)C(=O)[O-] ZINC001595199392 979940048 /nfs/dbraw/zinc/94/00/48/979940048.db2.gz DIGXGHXDYYGHAG-LLVKDONJSA-N -2 1 335.338 -0.646 20 0 EBADML CCC(NCCCC(=O)[O-])=C1C(=O)[N-]C(=S)N(CCOC)C1=O ZINC001595294493 980410045 /nfs/dbraw/zinc/41/00/45/980410045.db2.gz RNUABJBNNGSKJZ-LUAWRHEFSA-N -2 1 343.405 -0.005 20 0 EBADML CCOC(=O)[C@@H](CO)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001596533718 984352437 /nfs/dbraw/zinc/35/24/37/984352437.db2.gz AMMKVNSXLBYXFB-LLVKDONJSA-N -2 1 331.346 -0.272 20 0 EBADML CN(CCC(=O)[O-])S(=O)(=O)N1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC001598479828 992131052 /nfs/dbraw/zinc/13/10/52/992131052.db2.gz GVAPLWHOBSBGHW-UHFFFAOYSA-N -2 1 347.315 -0.752 20 0 EBADML C[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H](C(=O)[O-])[C@@H]2CCOC2)co1 ZINC001598673451 994798802 /nfs/dbraw/zinc/79/88/02/994798802.db2.gz ODBZUXQGSVRDJZ-PSASIEDQSA-N -2 1 346.361 -0.345 20 0 EBADML COC(=O)C(F)(F)C[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC001598703396 995254447 /nfs/dbraw/zinc/25/44/47/995254447.db2.gz USVQAWZNCVTZFV-UHFFFAOYSA-N -2 1 330.290 -0.072 20 0 EBADML COC(=O)[C@@H](CO)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1 ZINC001598703650 995256916 /nfs/dbraw/zinc/25/69/16/995256916.db2.gz GGHWKRJSEVKMDN-RXMQYKEDSA-N -2 1 327.698 -0.557 20 0 EBADML COC(=O)[C@H](CO)[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001598903395 997217106 /nfs/dbraw/zinc/21/71/06/997217106.db2.gz HHXOKQNDGWMVJR-ZETCQYMHSA-N -2 1 339.272 -0.525 20 0 EBADML COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1C[C@H](OC)C[C@@]1(C)C(=O)[O-] ZINC001599328844 997712448 /nfs/dbraw/zinc/71/24/48/997712448.db2.gz POGJNSSMLQPETH-UANNBLPKSA-N -2 1 327.293 -0.399 20 0 EBADML C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)NCCOCC(=O)[O-])C1 ZINC001594051690 997746593 /nfs/dbraw/zinc/74/65/93/997746593.db2.gz JUECLVDFHIMEBQ-LLVKDONJSA-N -2 1 341.286 -0.060 20 0 EBADML COC[C@H](NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O)C(=O)[O-] ZINC001599169001 998585068 /nfs/dbraw/zinc/58/50/68/998585068.db2.gz NUDVDGLCTMWOGB-LBPRGKRZSA-N -2 1 346.343 -0.101 20 0 EBADML COC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H](CC(F)F)C(=O)[O-] ZINC001599007345 998866344 /nfs/dbraw/zinc/86/63/44/998866344.db2.gz HSNVJZSDBGNQJC-YFKPBYRVSA-N -2 1 327.265 -0.417 20 0 EBADML Cc1cc(C(=O)N2CC(N3CCOCC3)C2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC001363174090 1131814270 /nfs/dbraw/zinc/81/42/70/1131814270.db2.gz PDGTZJFIGDWEQK-UHFFFAOYSA-N -2 1 345.359 -0.099 20 0 EBADML COc1cc(F)c(S(=O)(=O)[N-]CC(=O)NCC(=O)[O-])c(F)c1 ZINC000588623204 376384965 /nfs/dbraw/zinc/38/49/65/376384965.db2.gz DKYQLXSWHGAVIU-UHFFFAOYSA-N -2 1 338.288 -0.548 20 0 EBADML Cn1cc(S(=O)(=O)[N-][C@H](CC(C)(C)C)C(=O)[O-])c(=O)n(C)c1=O ZINC000401329047 377003424 /nfs/dbraw/zinc/00/34/24/377003424.db2.gz MLTZQKZDIYMZJN-MRVPVSSYSA-N -2 1 347.393 -0.748 20 0 EBADML COC(=O)c1oc(S(=O)(=O)[N-]CCC(=O)NCC(=O)[O-])cc1C ZINC000596036289 378051011 /nfs/dbraw/zinc/05/10/11/378051011.db2.gz XDRWYXKGKHEYFP-UHFFFAOYSA-N -2 1 348.333 -0.756 20 0 EBADML COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(=O)[O-])o1 ZINC000275008065 379731337 /nfs/dbraw/zinc/73/13/37/379731337.db2.gz PJDZCNRSCPPWBP-LURJTMIESA-N -3 1 335.290 -0.480 20 0 EBADML C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@H](OC)C[C@@]2(C)C(=O)[O-])o1 ZINC000630310746 380036531 /nfs/dbraw/zinc/03/65/31/380036531.db2.gz KGVCTABKWQCOSI-OQPBUACISA-N -2 1 346.361 -0.108 20 0 EBADML Cc1cc(C(=O)N2CCN3CCOC[C@H]3C2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000542673994 380049264 /nfs/dbraw/zinc/04/92/64/380049264.db2.gz SHLDMDIGCTXYNI-SNVBAGLBSA-N -2 1 345.359 -0.099 20 0 EBADML CCC[C@@H](O)[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)co1)C(=O)[O-] ZINC000548267178 380195482 /nfs/dbraw/zinc/19/54/82/380195482.db2.gz WIXKDPCQZBPHBC-SCZZXKLOSA-N -2 1 335.334 -0.041 20 0 EBADML CCC(C)(C)[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000577280716 380815275 /nfs/dbraw/zinc/81/52/75/380815275.db2.gz JEQDCEISBGHIML-SECBINFHSA-N -2 1 347.393 -0.748 20 0 EBADML O=C(CNC(=O)c1ncccc1[O-])NC1(c2nnn[n-]2)CCCC1 ZINC000352544131 381998892 /nfs/dbraw/zinc/99/88/92/381998892.db2.gz OAHNZOKOGAIDAB-UHFFFAOYSA-N -2 1 331.336 -0.384 20 0 EBADML Cc1cc(C(=O)NCCCS(C)(=O)=O)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000265806348 154328737 /nfs/dbraw/zinc/32/87/37/154328737.db2.gz LGRIGFXJOCJFOM-UHFFFAOYSA-N -2 1 340.361 -0.091 20 0 EBADML Cc1cc(C(=O)NC[C@@H](O)[C@@H]2CCOC2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000531635328 419271832 /nfs/dbraw/zinc/27/18/32/419271832.db2.gz VEYJSDGHLOOPQG-PSASIEDQSA-N -2 1 334.332 -0.128 20 0 EBADML Cc1cc(C(=O)N2CCOC[C@H]2C(=O)[O-])[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000663028102 421123231 /nfs/dbraw/zinc/12/32/31/421123231.db2.gz QMQRFMSNLSIVHJ-QMMMGPOBSA-N -3 1 334.288 -0.330 20 0 EBADML CNS(=O)(=O)c1cc(C(=O)NC(C)(C)c2nn[n-]n2)c(C)o1 ZINC000434351471 265200469 /nfs/dbraw/zinc/20/04/69/265200469.db2.gz BZRDEGMBPQZNIB-UHFFFAOYSA-N -2 1 328.354 -0.326 20 0 EBADML COC(=O)c1ccc(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(=O)OC)o1 ZINC000737699453 582635454 /nfs/dbraw/zinc/63/54/54/582635454.db2.gz CDXKPXLDWCPVKE-ZCFIWIBFSA-N -2 1 335.290 -0.639 20 0 EBADML COCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C(C)=O)cc1 ZINC000763086850 583256923 /nfs/dbraw/zinc/25/69/23/583256923.db2.gz PULRYDAMFIRWDB-UHFFFAOYSA-N -2 1 336.391 -0.101 20 0 EBADML O=C(CCn1cc[n-]c(=O)c1=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000793938835 583573279 /nfs/dbraw/zinc/57/32/79/583573279.db2.gz MLFDSRAUIATJLM-UHFFFAOYSA-N -2 1 343.303 -0.753 20 0 EBADML O=C([N-]S(=O)(=O)c1cnccn1)c1ccc(-c2nn[n-]n2)s1 ZINC000823285285 583827610 /nfs/dbraw/zinc/82/76/10/583827610.db2.gz PEOQBWFKTSGWAX-UHFFFAOYSA-N -2 1 337.346 -0.163 20 0 EBADML CC(C)[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)[O-] ZINC000824201002 583842399 /nfs/dbraw/zinc/84/23/99/583842399.db2.gz WAYQGRHWQWANDA-SECBINFHSA-N -2 1 326.338 -0.351 20 0 EBADML CC(C)[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)[O-] ZINC000824201002 583842400 /nfs/dbraw/zinc/84/24/00/583842400.db2.gz WAYQGRHWQWANDA-SECBINFHSA-N -2 1 326.338 -0.351 20 0 EBADML O=C([O-])c1cccc(CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000826425695 583901361 /nfs/dbraw/zinc/90/13/61/583901361.db2.gz PCENOBHHZCUSQT-UHFFFAOYSA-N -2 1 328.292 -0.527 20 0 EBADML O=C([N-]S(=O)(=O)C[C@H]1CCOC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826449783 583902697 /nfs/dbraw/zinc/90/26/97/583902697.db2.gz JRWKGFMZJFOHHA-QMMMGPOBSA-N -2 1 338.349 -0.642 20 0 EBADML O=C([N-]S(=O)(=O)C[C@H]1CCOC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826449783 583902698 /nfs/dbraw/zinc/90/26/98/583902698.db2.gz JRWKGFMZJFOHHA-QMMMGPOBSA-N -2 1 338.349 -0.642 20 0 EBADML O=C([N-]S(=O)(=O)[C@@H]1CCCOC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826449973 583902820 /nfs/dbraw/zinc/90/28/20/583902820.db2.gz RIFBHMZRMPKCOU-SECBINFHSA-N -2 1 338.349 -0.500 20 0 EBADML O=C([N-]S(=O)(=O)[C@@H]1CCCOC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826449973 583902822 /nfs/dbraw/zinc/90/28/22/583902822.db2.gz RIFBHMZRMPKCOU-SECBINFHSA-N -2 1 338.349 -0.500 20 0 EBADML O=C(c1cccc(-c2nc(=O)o[n-]2)c1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000826833408 583911088 /nfs/dbraw/zinc/91/10/88/583911088.db2.gz CPMMZLJCGSNBLE-SNVBAGLBSA-N -2 1 343.303 -0.243 20 0 EBADML O=C(COC(=O)[C@H]1CN(C(=O)[O-])CCO1)[N-]C(=O)c1ccccc1 ZINC000831499151 583983897 /nfs/dbraw/zinc/98/38/97/583983897.db2.gz QAOXBUSGGOKUHE-LLVKDONJSA-N -2 1 336.300 -0.135 20 0 EBADML COc1cc[n-]c(=NNS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)n1 ZINC000832637513 583999871 /nfs/dbraw/zinc/99/98/71/583999871.db2.gz RVLVYHPGRHQVOD-UHFFFAOYSA-N -2 1 327.322 -0.173 20 0 EBADML CS(=O)(=O)[N-]c1nnc(NC(=O)c2cc(C(=O)[O-])no2)s1 ZINC000833737924 584015717 /nfs/dbraw/zinc/01/57/17/584015717.db2.gz OFDCZONGPITKKX-UHFFFAOYSA-N -2 1 333.307 -0.152 20 0 EBADML Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N[C@@H](C)C(=O)[O-] ZINC000740222252 597309694 /nfs/dbraw/zinc/30/96/94/597309694.db2.gz JGALVVYULSNRHE-JTQLQIEISA-N -2 1 338.364 -0.151 20 0 EBADML O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)CCn1cc[n-]c(=O)c1=O ZINC000739622810 600573413 /nfs/dbraw/zinc/57/34/13/600573413.db2.gz PXOMOBSFTAFOOU-CYBMUJFWSA-N -2 1 343.339 -0.035 20 0 EBADML C[C@H](NC(=O)[O-])C1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)CC1 ZINC000738997717 602460087 /nfs/dbraw/zinc/46/00/87/602460087.db2.gz KWUWCXZFHBGBAH-JTQLQIEISA-N -2 1 338.364 -0.179 20 0 EBADML NC(=O)C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(=O)[O-] ZINC000317221731 649994588 /nfs/dbraw/zinc/99/45/88/649994588.db2.gz FUZPPQMZYOJPBU-ZCFIWIBFSA-N -2 1 335.269 -0.659 20 0 EBADML Cc1n[nH]c(C(=O)N[C@H](C)C2CN(Cc3nc(=O)n(C)[n-]3)C2)c1[O-] ZINC000969506125 725186343 /nfs/dbraw/zinc/18/63/43/725186343.db2.gz MXQHPSRBIDUKFX-SSDOTTSWSA-N -2 1 335.368 -0.904 20 0 EBADML O=C(N[C@H]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1)c1ncccc1[O-] ZINC000974055842 725858760 /nfs/dbraw/zinc/85/87/60/725858760.db2.gz ADTIJDMDBGPDDU-KNVOCYPGSA-N -2 1 346.303 -0.926 20 0 EBADML Cc1n[nH]c(C(=O)N[C@H]2CCCN(Cc3nc(=O)n(C)[n-]3)[C@@H]2C)c1[O-] ZINC000993222428 725864126 /nfs/dbraw/zinc/86/41/26/725864126.db2.gz NHZIFYAQUBKRPO-ZJUUUORDSA-N -2 1 349.395 -0.372 20 0 EBADML O=C(c1cnc[nH]c1=O)N1CC[C@@H]2CC[N@H+](Cc3n[nH]c(=O)[n-]3)[C@@H]2C1 ZINC001042108592 732320050 /nfs/dbraw/zinc/32/00/50/732320050.db2.gz DYHXLHCMWPFNFH-GXSJLCMTSA-N -2 1 345.363 -0.258 20 0 EBADML Cc1n[nH]c(C(=O)N[C@]2(C)CCN(Cc3nc(=O)n(C)[n-]3)C2)c1[O-] ZINC001046246614 733894008 /nfs/dbraw/zinc/89/40/08/733894008.db2.gz KXPZOYFRTOJYFU-CQSZACIVSA-N -2 1 335.368 -0.760 20 0 EBADML Cc1n[nH]c(C(=O)N[C@@H]2CC[C@H](C)N(Cc3nc(=O)n(C)[n-]3)C2)c1[O-] ZINC001071435445 741135907 /nfs/dbraw/zinc/13/59/07/741135907.db2.gz WZUXMURYYLOGFC-WCBMZHEXSA-N -2 1 349.395 -0.372 20 0 EBADML N#Cc1cccc(S(=O)(=O)[N-][N-]C(=O)[C@H]2CCS(=O)(=O)C2)c1 ZINC000014870870 803741330 /nfs/dbraw/zinc/74/13/30/803741330.db2.gz CMGNSRYHRQNFPA-JTQLQIEISA-N -2 1 343.386 -0.698 20 0 EBADML O=C(N[C@@H]1C=CS(=O)(=O)C1)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001148927250 830556913 /nfs/dbraw/zinc/55/69/13/830556913.db2.gz JSKQFPXUHOFUEJ-SSDOTTSWSA-N -2 1 333.343 -0.321 20 0 EBADML Nc1nc(=O)[nH]cc1NC(=O)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001148926378 830557010 /nfs/dbraw/zinc/55/70/10/830557010.db2.gz LNZJWPWESBMCRL-UHFFFAOYSA-N -2 1 326.290 -0.031 20 0 EBADML Cc1cc(C(=O)N2CCn3cnnc3C2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC001322239335 839160011 /nfs/dbraw/zinc/16/00/11/839160011.db2.gz ZILICDJSUVLPJC-UHFFFAOYSA-N -2 1 327.304 -0.008 20 0 EBADML CC(C)(C)[C@H](NCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)C(N)=O ZINC001573880254 950740730 /nfs/dbraw/zinc/74/07/30/950740730.db2.gz VYWJYGSJHJBQPP-SNVBAGLBSA-N -2 1 345.367 -0.395 20 0 EBADML O=C([O-])C1([N-]S(=O)(=O)N=S2(=O)CCCC2)CCOCC1 ZINC001594883370 954447556 /nfs/dbraw/zinc/44/75/56/954447556.db2.gz NUJWUDNSYVUITN-UHFFFAOYSA-N -2 1 326.396 -0.284 20 0 EBADML CCOC(=O)c1c[n-]c(NC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)n1 ZINC001573905759 961452790 /nfs/dbraw/zinc/45/27/90/961452790.db2.gz OEPASKRBSROIKD-QMMMGPOBSA-N -2 1 338.320 -0.152 20 0 EBADML Cn1ncc(S(=O)(=O)[N-]C[C@](C)(O)C(=O)[O-])c1C(F)(F)F ZINC001574473419 961625572 /nfs/dbraw/zinc/62/55/72/961625572.db2.gz QBBRFYPZTZNQHU-QMMMGPOBSA-N -2 1 331.272 -0.447 20 0 EBADML CCC[C@@](C)([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000314236206 963729478 /nfs/dbraw/zinc/72/94/78/963729478.db2.gz HLXDASRXTIZOKO-GFCCVEGCSA-N -2 1 333.366 -0.994 20 0 EBADML CC[C@@](COC)(NS(=O)(=O)c1cc(C(=O)OC)n[n-]1)C(=O)[O-] ZINC001595199393 979940117 /nfs/dbraw/zinc/94/01/17/979940117.db2.gz DIGXGHXDYYGHAG-NSHDSACASA-N -2 1 335.338 -0.646 20 0 EBADML CC[C@@](COC)(NS(=O)(=O)c1cc(C(=O)OC)[n-]n1)C(=O)[O-] ZINC001595199393 979940126 /nfs/dbraw/zinc/94/01/26/979940126.db2.gz DIGXGHXDYYGHAG-NSHDSACASA-N -2 1 335.338 -0.646 20 0 EBADML C[C@H]1CCN(CC(=O)NCC(=O)[O-])[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC001599906839 984934323 /nfs/dbraw/zinc/93/43/23/984934323.db2.gz OICYWHODGNGJAG-LAEOZQHASA-N -2 1 339.314 -0.035 20 0 EBADML COc1ccc([O-])c(S(=O)(=O)N[C@@H](CC2OCCO2)C(=O)[O-])c1 ZINC001599599869 993800248 /nfs/dbraw/zinc/80/02/48/993800248.db2.gz UNLQRHWJLKUZOA-VIFPVBQESA-N -2 1 347.345 -0.105 20 0 EBADML C[N@H+]1CCN(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])no2)CC1(C)C ZINC001598618698 993950247 /nfs/dbraw/zinc/95/02/47/993950247.db2.gz RFCYTOJMRMDTJA-UHFFFAOYSA-N -2 1 346.409 -0.323 20 0 EBADML C[N-]S(=O)(=O)c1cc(C(=O)N2CCC(O)(C(=O)[O-])CC2)co1 ZINC001598673722 994804112 /nfs/dbraw/zinc/80/41/12/994804112.db2.gz XRPJYHPMBSQJBV-UHFFFAOYSA-N -2 1 332.334 -0.761 20 0 EBADML COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1C[C@@H](OC)C[C@@]1(C)C(=O)[O-] ZINC001599328842 997712899 /nfs/dbraw/zinc/71/28/99/997712899.db2.gz POGJNSSMLQPETH-IYQDAUBNSA-N -2 1 327.293 -0.399 20 0 EBADML COC(=O)c1cc(S(=O)(=O)N(CC(=O)[O-])C2CCOCC2)[n-]n1 ZINC001598952544 998180215 /nfs/dbraw/zinc/18/02/15/998180215.db2.gz JOTRWXINFSWSNE-UHFFFAOYSA-N -2 1 347.349 -0.549 20 0 EBADML COC(=O)c1cc(S(=O)(=O)N(CC(=O)[O-])C2CCOCC2)n[n-]1 ZINC001598952544 998180224 /nfs/dbraw/zinc/18/02/24/998180224.db2.gz JOTRWXINFSWSNE-UHFFFAOYSA-N -2 1 347.349 -0.549 20 0 EBADML COC(=O)c1cc(S(=O)(=O)N2CC[C@H](OC)C[C@@H]2C(=O)[O-])[n-]n1 ZINC001598952563 998181963 /nfs/dbraw/zinc/18/19/63/998181963.db2.gz YQZSCQUZJQYOIE-IONNQARKSA-N -2 1 347.349 -0.551 20 0 EBADML COC(=O)c1cc(S(=O)(=O)N2CC[C@H](OC)C[C@@H]2C(=O)[O-])n[n-]1 ZINC001598952563 998181966 /nfs/dbraw/zinc/18/19/66/998181966.db2.gz YQZSCQUZJQYOIE-IONNQARKSA-N -2 1 347.349 -0.551 20 0 EBADML Cc1cc(C(=O)N2C[C@H](CCO)[C@H](CO)C2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC001365157244 1132562817 /nfs/dbraw/zinc/56/28/17/1132562817.db2.gz DQUHQSIOISLLFY-UWVGGRQHSA-N -2 1 348.359 -0.193 20 0 EBADML Cn1cnc(S(=O)(=O)[N-]C[C@@](C)(CO)CC(=O)[O-])c1Cl ZINC000275573435 379764639 /nfs/dbraw/zinc/76/46/39/379764639.db2.gz GPIAZJUXLUVCFH-JTQLQIEISA-N -2 1 325.774 -0.175 20 0 EBADML COC(=O)c1ccc(S(=O)(=O)[N-]C[C@](C)(CO)CC(=O)[O-])o1 ZINC000275583838 379766564 /nfs/dbraw/zinc/76/65/64/379766564.db2.gz HSBGGVNKTLAZBW-GFCCVEGCSA-N -2 1 335.334 -0.182 20 0 EBADML Cc1cc(C(=O)N2CCN3CCOC[C@@H]3C2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000542673993 380050185 /nfs/dbraw/zinc/05/01/85/380050185.db2.gz SHLDMDIGCTXYNI-JTQLQIEISA-N -2 1 345.359 -0.099 20 0 EBADML COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cnn(C)c2)o1 ZINC000548528789 380213232 /nfs/dbraw/zinc/21/32/32/380213232.db2.gz DYHUMAOUGDPZLC-SNVBAGLBSA-N -2 1 343.317 -0.096 20 0 EBADML Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NC[C@](C)(O)C(=O)[O-] ZINC000564968203 380390341 /nfs/dbraw/zinc/39/03/41/380390341.db2.gz ZOKMKRHHTDDOTF-HNNXBMFYSA-N -2 1 336.348 -0.064 20 0 EBADML Cc1cc(C(=O)N[C@@H]2CC(=O)N(C)C2=O)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000573018786 380654297 /nfs/dbraw/zinc/65/42/97/380654297.db2.gz CXQNVRFIUMUYIE-SSDOTTSWSA-N -2 1 331.288 -0.768 20 0 EBADML CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NC[C@](C)(O)C(=O)[O-])o1 ZINC000349086319 381437407 /nfs/dbraw/zinc/43/74/07/381437407.db2.gz VBJAHZWNGMMPHN-ZDUSSCGKSA-N -2 1 348.377 -0.078 20 0 EBADML COC[C@H](NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1)C(=O)OC ZINC000351782699 381675107 /nfs/dbraw/zinc/67/51/07/381675107.db2.gz JSZHWRUBUNBRSM-QMMMGPOBSA-N -2 1 336.304 -0.338 20 0 EBADML Cn1nnc(C[N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(F)c2)n1 ZINC000447151708 382191193 /nfs/dbraw/zinc/19/11/93/382191193.db2.gz ZEVQFHYKCLYFNQ-UHFFFAOYSA-N -2 1 345.312 -0.709 20 0 EBADML C[N-]S(=O)(=O)c1ccc(C(=O)N[C@]2(C(=O)[O-])CCSC2)o1 ZINC000262199648 154218720 /nfs/dbraw/zinc/21/87/20/154218720.db2.gz QTPPPIPETRUKRU-LLVKDONJSA-N -2 1 334.375 -0.122 20 0 EBADML CNC(=O)N1CCN(C(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)CC1 ZINC000267850323 154392082 /nfs/dbraw/zinc/39/20/82/154392082.db2.gz BRCCRXVENATFNF-UHFFFAOYSA-N -2 1 346.347 -0.158 20 0 EBADML Cc1cc(C(=O)NC[C@@H](C)S(N)(=O)=O)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000359563946 157330300 /nfs/dbraw/zinc/33/03/00/157330300.db2.gz OCEZYXYHZVFMBM-ZCFIWIBFSA-N -2 1 341.349 -0.849 20 0 EBADML CCC[C@H](O)[C@@H](CO)NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000414029506 419314178 /nfs/dbraw/zinc/31/41/78/419314178.db2.gz YTSKJUZAXZURJQ-ZJUUUORDSA-N -2 1 336.348 -0.004 20 0 EBADML Cn1ccc(=NC([O-])=CC=C(O)Nc2ccc3[n-]c(=O)nc-3[nH]2)[nH]1 ZINC000429062890 265131960 /nfs/dbraw/zinc/13/19/60/265131960.db2.gz RWYYXUKICFOBRX-UHFFFAOYSA-N -2 1 329.320 -0.402 20 0 EBADML Cc1cc(C(=O)NCCc2nc(=O)o[n-]2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000447632636 265375204 /nfs/dbraw/zinc/37/52/04/265375204.db2.gz MNIZQSNHLAMURV-UHFFFAOYSA-N -3 1 332.276 -0.607 20 0 EBADML Cn1cc(S(=O)(=O)[N-][C@@H](CC2CCC2)C(=O)[O-])c(=O)n(C)c1=O ZINC000530526669 272901006 /nfs/dbraw/zinc/90/10/06/272901006.db2.gz JAUMFJPGJXZUHI-VIFPVBQESA-N -2 1 345.377 -0.994 20 0 EBADML COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)o1)C(=O)[O-] ZINC000737590333 583017902 /nfs/dbraw/zinc/01/79/02/583017902.db2.gz GGAQPLHCLNXJBR-ZCFIWIBFSA-N -2 1 335.290 -0.639 20 0 EBADML O=C([O-])[C@@H](Cc1ccccc1)NC(=O)CCn1cc[n-]c(=O)c1=O ZINC000738460274 583052454 /nfs/dbraw/zinc/05/24/54/583052454.db2.gz RTGZRHSSNIQIHP-GFCCVEGCSA-N -2 1 331.328 -0.261 20 0 EBADML NC(=O)c1ccc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)o1 ZINC000822885726 583820541 /nfs/dbraw/zinc/82/05/41/583820541.db2.gz UUFAPXUECCZPKL-UHFFFAOYSA-N -2 1 349.332 -0.568 20 0 EBADML O=C([N-]S(=O)(=O)[C@@H]1CCOC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823284496 583827693 /nfs/dbraw/zinc/82/76/93/583827693.db2.gz IEYFHOHCFLAKHT-ZCFIWIBFSA-N -2 1 329.363 -0.223 20 0 EBADML O=C([N-]S(=O)(=O)[C@@H]1CCOC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823284496 583827694 /nfs/dbraw/zinc/82/76/94/583827694.db2.gz IEYFHOHCFLAKHT-ZCFIWIBFSA-N -2 1 329.363 -0.223 20 0 EBADML CC(C)[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)[O-] ZINC000824201003 583842452 /nfs/dbraw/zinc/84/24/52/583842452.db2.gz WAYQGRHWQWANDA-VIFPVBQESA-N -2 1 326.338 -0.351 20 0 EBADML CC(C)[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)[O-] ZINC000824201003 583842454 /nfs/dbraw/zinc/84/24/54/583842454.db2.gz WAYQGRHWQWANDA-VIFPVBQESA-N -2 1 326.338 -0.351 20 0 EBADML Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000830785276 583970916 /nfs/dbraw/zinc/97/09/16/583970916.db2.gz KSIJJUPWDSBFBI-MWLCHTKSSA-N -2 1 349.347 -0.219 20 0 EBADML O=C([O-])N1CCC[C@@H](n2cc(C(=O)NN3CC(=O)[N-]C3=O)cn2)C1 ZINC000834290901 584030864 /nfs/dbraw/zinc/03/08/64/584030864.db2.gz YQOSYRZIOBQWMI-SECBINFHSA-N -2 1 336.308 -0.605 20 0 EBADML CCO[N-]C(=O)C[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000846003537 584119389 /nfs/dbraw/zinc/11/93/89/584119389.db2.gz XLALHEXGMNTJLB-UHFFFAOYSA-N -2 1 330.288 -0.215 20 0 EBADML Cn1[n-]cc2c(=NC(=O)C(=O)NC[C@H](C(=O)[O-])C3CCC3)ccnc1-2 ZINC000853327076 584226257 /nfs/dbraw/zinc/22/62/57/584226257.db2.gz ZMFQOFPKTWQFCQ-JTQLQIEISA-N -2 1 345.359 -0.103 20 0 EBADML O=C([O-])COc1cccc(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)c1 ZINC000739825587 600261646 /nfs/dbraw/zinc/26/16/46/600261646.db2.gz KDLNSPQGTSELII-NSHDSACASA-N -2 1 333.304 -0.123 20 0 EBADML O=C([O-])N[C@@H](Cc1ccccc1)C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000740538790 602500985 /nfs/dbraw/zinc/50/09/85/602500985.db2.gz YXQUMEDVBCHLJM-NWDGAFQWSA-N -2 1 346.347 -0.022 20 0 EBADML COc1ccc(NC(=O)C(=O)NCc2nn[n-]n2)cc1NC(=O)[O-] ZINC000739917950 602762839 /nfs/dbraw/zinc/76/28/39/602762839.db2.gz YZDWRNNKKAJLIU-UHFFFAOYSA-N -2 1 335.280 -0.447 20 0 EBADML NC(=O)COCC[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000318879799 649994957 /nfs/dbraw/zinc/99/49/57/649994957.db2.gz DTSIXDIBEFZURU-UHFFFAOYSA-N -2 1 338.288 -0.557 20 0 EBADML CO[N-]C(=O)CNC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000927216690 651500067 /nfs/dbraw/zinc/50/00/67/651500067.db2.gz ZXKGQKPZOCIMAV-QMMMGPOBSA-N -2 1 340.302 -0.236 20 0 EBADML Cc1n[nH]c(C(=O)N[C@H]2CCCN(Cc3nc(=O)n(C)[n-]3)C2)c1[O-] ZINC001007123910 726789360 /nfs/dbraw/zinc/78/93/60/726789360.db2.gz YBPLQGWMQCEMOW-VIFPVBQESA-N -2 1 335.368 -0.760 20 0 EBADML Cc1n[nH]c(C(=O)NC[C@H]2CCCCN2Cc2nc(=O)n(C)[n-]2)c1[O-] ZINC001024395713 729881500 /nfs/dbraw/zinc/88/15/00/729881500.db2.gz GDAHXIVUUKZVOE-SNVBAGLBSA-N -2 1 349.395 -0.370 20 0 EBADML Cc1n[nH]c(C(=O)NC[C@H]2CCCN2Cc2nc(=O)n(C)[n-]2)c1[O-] ZINC001027832603 730241628 /nfs/dbraw/zinc/24/16/28/730241628.db2.gz GZSYDHBOUNCJQX-SECBINFHSA-N -2 1 335.368 -0.760 20 0 EBADML Cc1n[nH]c(C(=O)NCC2(O)CN(C(=O)c3ncccc3[O-])C2)c1[O-] ZINC001042571824 732482395 /nfs/dbraw/zinc/48/23/95/732482395.db2.gz ABJNRIUNORFJRI-UHFFFAOYSA-N -2 1 347.331 -0.859 20 0 EBADML Cc1nc(=O)[nH]c(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1Cl ZINC001227112651 811904100 /nfs/dbraw/zinc/90/41/00/811904100.db2.gz NJAVOOHSNVKGAB-MHTLYPKNSA-N -2 1 334.668 -0.414 20 0 EBADML CSc1nc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc(=O)[n-]1 ZINC001228095752 811961678 /nfs/dbraw/zinc/96/16/78/811961678.db2.gz XLJUVHJORMSEJI-NVNXEXLPSA-N -3 1 332.290 -0.654 20 0 EBADML O=S(=O)([O-])C[C@@H](CN1CCOCC1)Oc1cnnc(=S)[n-]1 ZINC001228641704 811992288 /nfs/dbraw/zinc/99/22/88/811992288.db2.gz HOLZKVHWHUPHLZ-MRVPVSSYSA-N -2 1 336.395 -0.872 20 0 EBADML COC(=O)c1c[n-]c(O[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])n1 ZINC001230280150 812098407 /nfs/dbraw/zinc/09/84/07/812098407.db2.gz MSXYKUJQJRBJHR-VIFPVBQESA-N -2 1 349.365 -0.836 20 0 EBADML Cc1cc(C(=O)N2CCn3ncnc3C2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC001116635061 826630312 /nfs/dbraw/zinc/63/03/12/826630312.db2.gz YRHHDODCWRMBHU-UHFFFAOYSA-N -2 1 327.304 -0.008 20 0 EBADML C[C@H]1CN(C)C(=O)CN1C(=O)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001148926499 830557255 /nfs/dbraw/zinc/55/72/55/830557255.db2.gz OTRONMQMBPVZOR-QMMMGPOBSA-N -2 1 328.346 -0.058 20 0 EBADML C[C@@H]1CN(C(=O)C(=O)N=c2ccnc3n(C)[n-]cc2-3)CC[C@H]1C(=O)[O-] ZINC001348242968 843673961 /nfs/dbraw/zinc/67/39/61/843673961.db2.gz DGLWQXDTGWWCHF-NXEZZACHSA-N -2 1 345.359 -0.151 20 0 EBADML O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)c3c[n-]ncc3=O)CC2)C1 ZINC001594897228 954578526 /nfs/dbraw/zinc/57/85/26/954578526.db2.gz KWZMESVYNVFLLM-SECBINFHSA-N -2 1 334.332 -0.280 20 0 EBADML O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)c3cnncc3[O-])CC2)C1 ZINC001594897228 954578541 /nfs/dbraw/zinc/57/85/41/954578541.db2.gz KWZMESVYNVFLLM-SECBINFHSA-N -2 1 334.332 -0.280 20 0 EBADML CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@]2(C(=O)[O-])CCCO2)c1 ZINC001593801827 954853595 /nfs/dbraw/zinc/85/35/95/954853595.db2.gz XTCQMVNSFDECQS-CYBMUJFWSA-N -2 1 344.345 -0.127 20 0 EBADML COC[C@](C)(CC(=O)[O-])NS(=O)(=O)c1cc(C(=O)OC)n[n-]1 ZINC001571223455 962561112 /nfs/dbraw/zinc/56/11/12/962561112.db2.gz HOAHMGVVIIYCCO-NSHDSACASA-N -2 1 335.338 -0.646 20 0 EBADML COC[C@](C)(CC(=O)[O-])NS(=O)(=O)c1cc(C(=O)OC)[n-]n1 ZINC001571223455 962561126 /nfs/dbraw/zinc/56/11/26/962561126.db2.gz HOAHMGVVIIYCCO-NSHDSACASA-N -2 1 335.338 -0.646 20 0 EBADML COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC1(CC(=O)[O-])CCOCC1 ZINC001604669612 973862459 /nfs/dbraw/zinc/86/24/59/973862459.db2.gz VIWLESHBZATISA-UHFFFAOYSA-N -2 1 327.293 -0.350 20 0 EBADML C[C@@](CC(=O)[O-])(NC(=O)CCn1cc[n-]c(=O)c1=O)c1cccnc1 ZINC001592282764 977588190 /nfs/dbraw/zinc/58/81/90/977588190.db2.gz PDAXDPJVHKTZSE-INIZCTEOSA-N -2 1 346.343 -0.172 20 0 EBADML C[C@](CC(=O)[O-])(NC(=O)CCn1cc[n-]c(=O)c1=O)c1cccnc1 ZINC001592282766 977588240 /nfs/dbraw/zinc/58/82/40/977588240.db2.gz PDAXDPJVHKTZSE-MRXNPFEDSA-N -2 1 346.343 -0.172 20 0 EBADML C[C@@H](Cc1ccc(NC(=O)C(=O)NCc2nn[n-]n2)cc1)C(=O)[O-] ZINC001592858108 979668926 /nfs/dbraw/zinc/66/89/26/979668926.db2.gz OJJFYJSWKKELSY-QMMMGPOBSA-N -2 1 332.320 -0.282 20 0 EBADML C[C@H](NC(=O)CCn1cc[n-]c(=O)c1=O)c1ncc(C(=O)[O-])s1 ZINC001593026530 980290319 /nfs/dbraw/zinc/29/03/19/980290319.db2.gz YSSDTMAXDZAMPQ-ZETCQYMHSA-N -2 1 338.345 -0.041 20 0 EBADML CCOC[C@H](C(=O)[O-])N(C)C(=O)CNC(=O)c1ncccc1[O-] ZINC001596872440 985703719 /nfs/dbraw/zinc/70/37/19/985703719.db2.gz KRDSPOXYEZBNRS-SECBINFHSA-N -2 1 325.321 -0.535 20 0 EBADML C[C@@H]1SC[C@@H](C(=O)NCCC(=O)[O-])N1C(=O)CCc1nn[n-]n1 ZINC001594656243 986903482 /nfs/dbraw/zinc/90/34/82/986903482.db2.gz KNISTOPFSGEIIY-YUMQZZPRSA-N -2 1 342.381 -0.987 20 0 EBADML COC(=O)[C@H]([N-]S(=O)(=O)CC1(C(=O)[O-])CCC1)c1ccnn1C ZINC001598708762 995321511 /nfs/dbraw/zinc/32/15/11/995321511.db2.gz HWUNGQNRBKJIES-SNVBAGLBSA-N -2 1 345.377 -0.192 20 0 EBADML COC(=O)c1cc(S(=O)(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)[n-]n1 ZINC001598952720 998184472 /nfs/dbraw/zinc/18/44/72/998184472.db2.gz QJHASXPGRKYWIZ-SNVBAGLBSA-N -2 1 347.349 -0.958 20 0 EBADML COC(=O)c1cc(S(=O)(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)n[n-]1 ZINC001598952720 998184476 /nfs/dbraw/zinc/18/44/76/998184476.db2.gz QJHASXPGRKYWIZ-SNVBAGLBSA-N -2 1 347.349 -0.958 20 0 EBADML COC[C@@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1n[nH]cc1C(=O)OC ZINC001599150535 998289008 /nfs/dbraw/zinc/28/90/08/998289008.db2.gz QRVMWSRBSJKFLT-LLVKDONJSA-N -2 1 335.338 -0.646 20 0 EBADML COC(=O)c1coc(S(=O)(=O)[N-][C@H](CCC(=O)[O-])C(=O)OC)c1 ZINC001599013418 998918755 /nfs/dbraw/zinc/91/87/55/998918755.db2.gz YBELUDXHNOEPMS-MRVPVSSYSA-N -2 1 349.317 -0.249 20 0 EBADML Cc1cc(C(=O)N2CC[C@@H](O)[C@@H](CO)C2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC001363370277 1131918316 /nfs/dbraw/zinc/91/83/16/1131918316.db2.gz QCZZHMQODRUSRY-PSASIEDQSA-N -2 1 334.332 -0.440 20 0 EBADML