smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [O-]c1ccccc1CN(Cc1nnnn1C1CC1)C1CCCCC1 ZINC000069350922 454097327 /nfs/dbraw/zinc/09/73/27/454097327.db2.gz WEGUTJFWFCURTL-UHFFFAOYSA-N -1 3 327.432 3.049 10 10 EGCEHM Cc1ccc(C(=O)N2C[C@@H](c3ccccc3)O[C@@H](C)C2)c([O-])c1O ZINC000177676251 454891195 /nfs/dbraw/zinc/89/11/95/454891195.db2.gz IELDMROHZJHNCL-BBRMVZONSA-N -1 3 327.380 3.008 10 10 EGCEHM Cc1cc(Cl)cc(CN(C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)c1[O-] ZINC000180434164 455168756 /nfs/dbraw/zinc/16/87/56/455168756.db2.gz RSMBGRDXLQDGFG-CABCVRRESA-N -1 3 345.892 3.142 10 10 EGCEHM [O-]c1cc(F)c(Cl)cc1CN1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000294795517 455828410 /nfs/dbraw/zinc/82/84/10/455828410.db2.gz VOKDXSNKTAVBTG-SDBXPKJASA-N -1 3 341.732 3.320 10 10 EGCEHM [O-]c1cc(F)c(Cl)cc1CN1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000295406956 455847972 /nfs/dbraw/zinc/84/79/72/455847972.db2.gz RGMAVKFJCVJIJC-ZYHUDNBSSA-N -1 3 327.705 3.072 10 10 EGCEHM CC[C@H](NCc1cccc(N2CCOCC2)n1)c1ccc(F)cc1[O-] ZINC000287355648 456067250 /nfs/dbraw/zinc/06/72/50/456067250.db2.gz HAYFPXAKLQEWRH-KRWDZBQOSA-N -1 3 345.418 3.004 10 10 EGCEHM O=C(N[C@H]1CCCc2cn(C3CCCC3)nc21)c1cccc(O)c1[O-] ZINC000366169200 457795879 /nfs/dbraw/zinc/79/58/79/457795879.db2.gz HXXXFANZVPDKTG-HNNXBMFYSA-N -1 3 341.411 3.217 10 10 EGCEHM O=C(N[C@@H]1CCCc2cn(C3CCCC3)nc21)c1cccc(O)c1[O-] ZINC000366169201 457796147 /nfs/dbraw/zinc/79/61/47/457796147.db2.gz HXXXFANZVPDKTG-OAHLLOKOSA-N -1 3 341.411 3.217 10 10 EGCEHM CC(=O)c1cc(F)cc(CN2CC[C@@H](Cc3ccncc3)C2)c1[O-] ZINC000375154284 457814067 /nfs/dbraw/zinc/81/40/67/457814067.db2.gz SNDIBJDFEXAYOY-HNNXBMFYSA-N -1 3 328.387 3.194 10 10 EGCEHM C[C@@H]1CN(Cc2cccc(NC(=O)c3cc([O-])cs3)c2)C[C@H](C)O1 ZINC000738544245 576335975 /nfs/dbraw/zinc/33/59/75/576335975.db2.gz XUULIOAYMFCYNF-BETUJISGSA-N -1 3 346.452 3.315 10 10 EGCEHM [O-]c1cc(Br)ccc1CNC1(c2ncccn2)CCC1 ZINC000895624266 1309434350 /nfs/dbraw/zinc/43/43/50/1309434350.db2.gz ZBXVJGXQOYPLKL-UHFFFAOYSA-N -1 3 334.217 3.114 10 10 EGCEHM C[C@@H](CCc1ccc(O)cc1)NC(=O)NCc1c([O-])cccc1F ZINC000913977975 1319203332 /nfs/dbraw/zinc/20/33/32/1319203332.db2.gz GGZGPOUWWGGYMS-LBPRGKRZSA-N -1 3 332.375 3.057 10 10 EGCEHM O=C(C[C@H]1CCc2sccc2C1=O)NCc1c([O-])cccc1F ZINC000928710269 1328405754 /nfs/dbraw/zinc/40/57/54/1328405754.db2.gz SBZQGCIXJZPLJA-SNVBAGLBSA-N -1 3 333.384 3.044 10 10 EGCEHM O=C(NCCc1nsc2ccccc21)NCc1c([O-])cccc1F ZINC001233710043 1376701159 /nfs/dbraw/zinc/70/11/59/1376701159.db2.gz YZLQQICDSNGDNY-UHFFFAOYSA-N -1 3 345.399 3.183 10 10 EGCEHM CCn1cc(C(=O)NCc2c([O-])cccc2F)c(-c2ccccc2)n1 ZINC001178413456 1386209998 /nfs/dbraw/zinc/20/99/98/1386209998.db2.gz SASZLNPLCVOULG-UHFFFAOYSA-N -1 3 339.370 3.345 10 10 EGCEHM COc1nnc(NC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)[n-]1 ZINC001319908390 1386383554 /nfs/dbraw/zinc/38/35/54/1386383554.db2.gz ZXKBHLVFGIBHSB-UHFFFAOYSA-N -1 3 345.790 3.127 10 10 EGCEHM COc1nc(NC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)n[n-]1 ZINC001319908390 1386383559 /nfs/dbraw/zinc/38/35/59/1386383559.db2.gz ZXKBHLVFGIBHSB-UHFFFAOYSA-N -1 3 345.790 3.127 10 10 EGCEHM COc1n[n-]c(NC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)n1 ZINC001319908390 1386383564 /nfs/dbraw/zinc/38/35/64/1386383564.db2.gz ZXKBHLVFGIBHSB-UHFFFAOYSA-N -1 3 345.790 3.127 10 10 EGCEHM O=C(c1cccc(O)c1[O-])N1CCCC[C@H]1Cc1ccc(O)cc1 ZINC001180504605 1386817553 /nfs/dbraw/zinc/81/75/53/1386817553.db2.gz XPPILXHTIKQGSB-AWEZNQCLSA-N -1 3 327.380 3.041 10 10 EGCEHM O=C1C[C@@H]([C@@H]2CCCCN2Cc2cc(Cl)cc(Cl)c2[O-])CN1 ZINC000092105321 454524983 /nfs/dbraw/zinc/52/49/83/454524983.db2.gz SQQRMJHFTZDEAO-YGRLFVJLSA-N -1 3 343.254 3.190 10 10 EGCEHM Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000137326029 454777413 /nfs/dbraw/zinc/77/74/13/454777413.db2.gz FBEYNIUDRYSNPT-LLVKDONJSA-N -1 3 331.416 3.157 10 10 EGCEHM CC(=O)c1cc(F)cc(CN2CCO[C@@H](c3cccc(O)c3)C2)c1[O-] ZINC000127152770 454942420 /nfs/dbraw/zinc/94/24/20/454942420.db2.gz HHGSXZMQQSMPID-GOSISDBHSA-N -1 3 345.370 3.013 10 10 EGCEHM C[C@@H](N[C@@H](C)c1ccc(F)cc1[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000185170463 455514958 /nfs/dbraw/zinc/51/49/58/455514958.db2.gz QOFGRRHGIKRCDA-NEPJUHHUSA-N -1 3 337.416 3.347 10 10 EGCEHM COc1ccc([C@H]2C[C@H](C)N(C(=O)c3cccc(O)c3[O-])C2)cc1 ZINC000193080364 455740782 /nfs/dbraw/zinc/74/07/82/455740782.db2.gz FGOQMFWPHINJBU-JSGCOSHPSA-N -1 3 327.380 3.125 10 10 EGCEHM [O-]c1c(Br)cccc1CNc1ccc2c(c1)OCCNC2 ZINC000530180939 458711253 /nfs/dbraw/zinc/71/12/53/458711253.db2.gz FSEHPOZYDPBUIK-UHFFFAOYSA-N -1 3 349.228 3.249 10 10 EGCEHM O=C(NC[C@@H]1CCCCN1Cc1ccccc1)c1cc([O-])cs1 ZINC000731872026 575214142 /nfs/dbraw/zinc/21/41/42/575214142.db2.gz WNPSTDXFZTXBQM-HNNXBMFYSA-N -1 3 330.453 3.238 10 10 EGCEHM CCO[C@H](C)c1nc(CN(C)C(=O)c2cc([O-])cs2)cs1 ZINC000743726956 576815284 /nfs/dbraw/zinc/81/52/84/576815284.db2.gz PQPJFMIZHMQUFU-SECBINFHSA-N -1 3 326.443 3.280 10 10 EGCEHM COc1ccc([C@@H](NC(=O)NCc2c([O-])cccc2F)C2CC2)cc1 ZINC000913968579 1319197237 /nfs/dbraw/zinc/19/72/37/1319197237.db2.gz RLICSFBYGITXKN-SFHVURJKSA-N -1 3 344.386 3.490 10 10 EGCEHM COc1ccc([C@H](C)NC(=O)NCc2c([O-])cccc2F)c(OC)c1 ZINC000923416846 1322747810 /nfs/dbraw/zinc/74/78/10/1322747810.db2.gz QPNAWGQKTCKRLT-NSHDSACASA-N -1 3 348.374 3.109 10 10 EGCEHM CC(C)(C)OC(=O)[C@@]1(C(=O)NCc2c([O-])cccc2F)CC=CCC1 ZINC000928707020 1328405051 /nfs/dbraw/zinc/40/50/51/1328405051.db2.gz ZTCSBYVYBWPAMX-IBGZPJMESA-N -1 3 349.402 3.216 10 10 EGCEHM COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1cccc(O)c1[O-])[C@@H]2C ZINC001138144693 1377684900 /nfs/dbraw/zinc/68/49/00/1377684900.db2.gz GHKNHJDXAKQNOF-VXGBXAGGSA-N -1 3 327.380 3.254 10 10 EGCEHM COC(=O)c1conc1C(C)(C)NCc1cc(Cl)c(C)cc1[O-] ZINC001327892769 1388617143 /nfs/dbraw/zinc/61/71/43/1388617143.db2.gz SACOLJYLRQBLIM-UHFFFAOYSA-N -1 3 338.791 3.154 10 10 EGCEHM Cc1c(C(=O)NCc2c([O-])cccc2F)cnn1-c1ccccc1F ZINC001156164070 1380534599 /nfs/dbraw/zinc/53/45/99/1380534599.db2.gz MBPWKQGWAZUSPC-UHFFFAOYSA-N -1 3 343.333 3.095 10 10 EGCEHM O=c1cc(CN2CCC[C@@H]2c2ccco2)c2cc(O)c([O-])cc2o1 ZINC000097135203 454413060 /nfs/dbraw/zinc/41/30/60/454413060.db2.gz UEQYJDRAIXYLAS-CYBMUJFWSA-N -1 3 327.336 3.134 10 10 EGCEHM [O-]c1c(Cl)cc(Cl)cc1CN1CCC[C@H](Cn2cncn2)C1 ZINC000128532502 455065185 /nfs/dbraw/zinc/06/51/85/455065185.db2.gz JQBRNSUBPCSGPC-NSHDSACASA-N -1 3 341.242 3.203 10 10 EGCEHM COc1ccc([C@H]2C[C@@H](C)N(C(=O)c3ccc(C)c(O)c3[O-])C2)cc1 ZINC000182479205 455521771 /nfs/dbraw/zinc/52/17/71/455521771.db2.gz XKTCBQOFFMLNHB-HIFRSBDPSA-N -1 3 341.407 3.433 10 10 EGCEHM COc1ccc(CC2CCN(C(=O)c3cccc(O)c3[O-])CC2)cc1 ZINC000192999314 455732818 /nfs/dbraw/zinc/73/28/18/455732818.db2.gz FDIZZPOHSOFOSI-UHFFFAOYSA-N -1 3 341.407 3.201 10 10 EGCEHM [O-]c1cc(F)c(Cl)cc1CN1CCC(O)(C(F)(F)F)CC1 ZINC000293676665 455795206 /nfs/dbraw/zinc/79/52/06/455795206.db2.gz RCPNQCHIARIPOW-UHFFFAOYSA-N -1 3 327.705 3.074 10 10 EGCEHM [O-]c1cc(F)c(Cl)cc1CN1CC[C@](CO)(c2ccccc2)C1 ZINC000293987929 455802267 /nfs/dbraw/zinc/80/22/67/455802267.db2.gz RUHBAMLICZONMI-SFHVURJKSA-N -1 3 335.806 3.321 10 10 EGCEHM C=C1[N-]S(=O)(=O)N=C(C)C1=NNc1ccc2c(c1)CCC(C)(C)O2 ZINC000252624107 455824097 /nfs/dbraw/zinc/82/40/97/455824097.db2.gz PGLYOGCLEFSZTR-UHFFFAOYSA-N -1 3 348.428 3.414 10 10 EGCEHM COc1ccc([C@@H](CO)N(C)Cc2cc(Cl)c(F)cc2[O-])cc1 ZINC000295415870 455848414 /nfs/dbraw/zinc/84/84/14/455848414.db2.gz RYCIZQWDOHWNKS-MRXNPFEDSA-N -1 3 339.794 3.359 10 10 EGCEHM C[C@H](NCCS(=O)(=O)c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000273301202 456222740 /nfs/dbraw/zinc/22/27/40/456222740.db2.gz BOMCGQJIFQBKPU-LBPRGKRZSA-N -1 3 339.844 3.170 10 10 EGCEHM CCOCc1nc([C@H](C)N[C@H](C)c2cc(Cl)ccc2[O-])no1 ZINC000290092015 456237993 /nfs/dbraw/zinc/23/79/93/456237993.db2.gz HLYUHCSNFAILJR-ZJUUUORDSA-N -1 3 325.796 3.377 10 10 EGCEHM O=C(Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1)c1cc([O-])cs1 ZINC000731873990 575214622 /nfs/dbraw/zinc/21/46/22/575214622.db2.gz ZPKNKIXGRCYYMW-UHFFFAOYSA-N -1 3 326.381 3.369 10 10 EGCEHM O=C(NCc1c([O-])cccc1F)N[C@@H]1CCCOc2ccc(F)cc21 ZINC000914335489 1319299930 /nfs/dbraw/zinc/29/99/30/1319299930.db2.gz IETWGOQPINEXDJ-OAHLLOKOSA-N -1 3 348.349 3.384 10 10 EGCEHM O=C(NCc1c([O-])cccc1F)N[C@@H](c1ccccc1)[C@@H]1CCCO1 ZINC000916142982 1319608606 /nfs/dbraw/zinc/60/86/06/1319608606.db2.gz OXAHKCFPUUCUGA-ROUUACIJSA-N -1 3 344.386 3.251 10 10 EGCEHM C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)NCc2c([O-])cccc2F)cc1 ZINC000928712012 1328406976 /nfs/dbraw/zinc/40/69/76/1328406976.db2.gz NCNAWNUYAXTUBS-BXUZGUMPSA-N -1 3 342.370 3.056 10 10 EGCEHM CCN(CC)c1ccc(CNC(=O)c2c([O-])cccc2OC)cc1F ZINC001144978948 1378786405 /nfs/dbraw/zinc/78/64/05/1378786405.db2.gz WPSCJJDOBLFKAU-UHFFFAOYSA-N -1 3 346.402 3.316 10 10 EGCEHM Cc1oc(-c2ccsc2)nc1CC(=O)NCc1c([O-])cccc1F ZINC001178412990 1386210349 /nfs/dbraw/zinc/21/03/49/1386210349.db2.gz JKZZCBGOAXXITD-UHFFFAOYSA-N -1 3 346.383 3.415 10 10 EGCEHM [O-]c1cc(F)c(Cl)cc1CN1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000294591300 455819946 /nfs/dbraw/zinc/81/99/46/455819946.db2.gz HKQOEBFCQZCNNM-ZJUUUORDSA-N -1 3 341.732 3.177 10 10 EGCEHM CC(=O)c1cc(Cl)cc(CN2CCC(c3ccnn3C)CC2)c1[O-] ZINC000177091546 454821662 /nfs/dbraw/zinc/82/16/62/454821662.db2.gz IAPAQIVTAWSTNY-UHFFFAOYSA-N -1 3 347.846 3.361 10 10 EGCEHM COCC(=O)N1CCc2c1cccc2N[C@@H](C)c1cc(F)ccc1[O-] ZINC000186604422 455804711 /nfs/dbraw/zinc/80/47/11/455804711.db2.gz AYBRXUVMYYJAOJ-LBPRGKRZSA-N -1 3 344.386 3.240 10 10 EGCEHM COc1c([O-])c(CN2CC[C@@H](C(F)(F)F)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000294980161 455834163 /nfs/dbraw/zinc/83/41/63/455834163.db2.gz JSLPJXZKWNXJME-MWLCHTKSSA-N -1 3 348.321 3.472 10 10 EGCEHM Cc1cc(Cl)cc(CN[C@]2(CO)CCOc3ccccc32)c1[O-] ZINC000282414676 456505257 /nfs/dbraw/zinc/50/52/57/456505257.db2.gz SHDBEFSXSLGUFG-SFHVURJKSA-N -1 3 333.815 3.114 10 10 EGCEHM CCCN(CCC)c1ccc(CNC2(c3nn[n-]n3)CCCC2)cc1 ZINC000735407622 575658042 /nfs/dbraw/zinc/65/80/42/575658042.db2.gz JCSGWCGOHCIRCW-UHFFFAOYSA-N -1 3 342.491 3.385 10 10 EGCEHM CCCN(CCC)c1ccc(CNC2(c3nnn[n-]3)CCCC2)cc1 ZINC000735407622 575658045 /nfs/dbraw/zinc/65/80/45/575658045.db2.gz JCSGWCGOHCIRCW-UHFFFAOYSA-N -1 3 342.491 3.385 10 10 EGCEHM COc1ccc2ccc([O-])c(CN3CCOC[C@@H]3C(F)(F)F)c2c1 ZINC000739871603 576512255 /nfs/dbraw/zinc/51/22/55/576512255.db2.gz WKXXAIHUEVTVLX-MRXNPFEDSA-N -1 3 341.329 3.317 10 10 EGCEHM CCN(Cc1cc(Br)ccc1[O-])C(=O)N[C@H](C)C1CC1 ZINC000743123714 576802011 /nfs/dbraw/zinc/80/20/11/576802011.db2.gz CSCYNBSETUWNDN-SNVBAGLBSA-N -1 3 341.249 3.485 10 10 EGCEHM CN1CCN(Cc2cc(Cl)cc(Br)c2[O-])CC1(C)C ZINC000708141776 1298238442 /nfs/dbraw/zinc/23/84/42/1298238442.db2.gz WRJIHWRMOXZQLI-UHFFFAOYSA-N -1 3 347.684 3.334 10 10 EGCEHM O=C(NCc1c([O-])cccc1F)N[C@H](c1ccccc1)[C@@H]1CCCO1 ZINC000916142983 1319608355 /nfs/dbraw/zinc/60/83/55/1319608355.db2.gz OXAHKCFPUUCUGA-ZWKOTPCHSA-N -1 3 344.386 3.251 10 10 EGCEHM COc1cccc2c1CC[C@H]2NC(=O)NCc1c([O-])cccc1F ZINC000921453302 1322318156 /nfs/dbraw/zinc/31/81/56/1322318156.db2.gz KAKSBZXYANHQLS-OAHLLOKOSA-N -1 3 330.359 3.027 10 10 EGCEHM COc1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1[O-] ZINC000298338869 202288440 /nfs/dbraw/zinc/28/84/40/202288440.db2.gz DGECRWBPUICGLR-UHFFFAOYSA-N -1 3 340.423 3.272 10 10 EGCEHM Cn1cc([C@@H]2CCCN2Cc2cc(Br)ccc2[O-])cn1 ZINC000131803932 454288237 /nfs/dbraw/zinc/28/82/37/454288237.db2.gz KVCQLZOGJBKUCJ-AWEZNQCLSA-N -1 3 336.233 3.225 10 10 EGCEHM Cc1cc(Cl)cc(CN2CCN(Cc3ccccn3)CC2)c1[O-] ZINC000179628415 455062866 /nfs/dbraw/zinc/06/28/66/455062866.db2.gz CTGGBGDDCWUXIY-UHFFFAOYSA-N -1 3 331.847 3.067 10 10 EGCEHM CC(=O)c1cc(F)cc(CN2CC[C@@H](C)[C@H](n3ccnc3)C2)c1[O-] ZINC000245609821 455339421 /nfs/dbraw/zinc/33/94/21/455339421.db2.gz NYGVZZAQFFFWRG-SJKOYZFVSA-N -1 3 331.391 3.014 10 10 EGCEHM Cc1nc([C@H](NCc2c([O-])ccc(Cl)c2F)c2ccccc2)n[nH]1 ZINC000190941995 455411106 /nfs/dbraw/zinc/41/11/06/455411106.db2.gz RTEQPAJWCUARQI-MRXNPFEDSA-N -1 3 346.793 3.490 10 10 EGCEHM Cc1nnc([C@@H](N[C@@H](C)c2cc(F)ccc2[O-])c2ccccc2)[nH]1 ZINC000185324999 455540235 /nfs/dbraw/zinc/54/02/35/455540235.db2.gz LTXAFVPUWKGVRI-GTNSWQLSSA-N -1 3 326.375 3.398 10 10 EGCEHM CNC(=O)CC[C@@H]1CCCCN1Cc1cc(Cl)c(F)cc1[O-] ZINC000293999079 455803217 /nfs/dbraw/zinc/80/32/17/455803217.db2.gz SRBUKKLXBDQIJZ-LBPRGKRZSA-N -1 3 328.815 3.065 10 10 EGCEHM C[C@H](NCc1cc(Cl)c(F)cc1[O-])C(=O)N1CCCC[C@@H]1C ZINC000294410547 455815208 /nfs/dbraw/zinc/81/52/08/455815208.db2.gz WKKKFRINJJUXLL-QWRGUYRKSA-N -1 3 328.815 3.064 10 10 EGCEHM COc1c([O-])c(CN[C@H]2CCc3c2cccc3F)ccc1[N+](=O)[O-] ZINC000278951692 455854126 /nfs/dbraw/zinc/85/41/26/455854126.db2.gz ZMDHZJGEKOHBBF-AWEZNQCLSA-N -1 3 332.331 3.225 10 10 EGCEHM CC(=O)c1cc(F)cc(CN2CCCC[C@@H]2c2ccnn2C)c1[O-] ZINC000281232449 456173181 /nfs/dbraw/zinc/17/31/81/456173181.db2.gz CJWJPFOEXNFWJM-QGZVFWFLSA-N -1 3 331.391 3.195 10 10 EGCEHM [O-]c1ccc(Cl)c(F)c1CN1CCC(Oc2cnccn2)CC1 ZINC000365942622 457786189 /nfs/dbraw/zinc/78/61/89/457786189.db2.gz WDTOAGVWYMIJNA-UHFFFAOYSA-N -1 3 337.782 3.018 10 10 EGCEHM Cc1n[nH]c(C)c1[C@H]1COCCN1Cc1cc(Cl)cc(C)c1[O-] ZINC000367748903 457977321 /nfs/dbraw/zinc/97/73/21/457977321.db2.gz KNKUAMAKLNILNW-OAHLLOKOSA-N -1 3 335.835 3.267 10 10 EGCEHM COc1ccc(NC(=O)[C@@H]2CCCN2Cc2cc(F)ccc2[O-])cc1 ZINC000371532880 457978241 /nfs/dbraw/zinc/97/82/41/457978241.db2.gz BPBWKQZADZDADJ-KRWDZBQOSA-N -1 3 344.386 3.143 10 10 EGCEHM Cc1cc([O-])c(CNC[C@H](n2cccn2)C(F)(F)F)c(Cl)c1 ZINC000527738530 459720162 /nfs/dbraw/zinc/72/01/62/459720162.db2.gz QCVDJUMNLAYUTR-ZDUSSCGKSA-N -1 3 333.741 3.444 10 10 EGCEHM COCCOc1cc(C)ccc1NC(=O)NCc1c([O-])cccc1F ZINC000929830597 1328712501 /nfs/dbraw/zinc/71/25/01/1328712501.db2.gz IBEMFMYKYPBUPL-UHFFFAOYSA-N -1 3 348.374 3.187 10 10 EGCEHM O=C(NCc1c([O-])cccc1F)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12 ZINC000921554528 1322350012 /nfs/dbraw/zinc/35/00/12/1322350012.db2.gz BVRZOFRAHYCTTC-MORSLUCNSA-N -1 3 326.371 3.059 10 10 EGCEHM Cc1ccc(C2(C(=O)NCc3c([O-])cccc3F)CCOCC2)cc1 ZINC000928704950 1328403832 /nfs/dbraw/zinc/40/38/32/1328403832.db2.gz GNIZLWUOFLLECK-UHFFFAOYSA-N -1 3 343.398 3.204 10 10 EGCEHM Cc1c(C(=O)NCc2c([O-])cccc2F)cnn1C1CCCCC1 ZINC000928709043 1328405282 /nfs/dbraw/zinc/40/52/82/1328405282.db2.gz WNXOJXGDWYLGES-UHFFFAOYSA-N -1 3 331.391 3.471 10 10 EGCEHM C[C@]1(C2CC2)CN(Cc2c([O-])cccc2Br)CCO1 ZINC000862409385 1329484023 /nfs/dbraw/zinc/48/40/23/1329484023.db2.gz SUHFJPDXQGBKTM-OAHLLOKOSA-N -1 3 326.234 3.156 10 10 EGCEHM C[C@@H](NC(=O)c1ccc([O-])c(O)c1)c1nc(-c2cccnc2)cs1 ZINC000095997798 454257874 /nfs/dbraw/zinc/25/78/74/454257874.db2.gz NGHFFFIRMFRLJQ-SNVBAGLBSA-N -1 3 341.392 3.107 10 10 EGCEHM CCOC(=O)[C@@H](NCc1cc(Cl)cc(C)c1[O-])c1cccc(O)c1 ZINC000191517420 455493423 /nfs/dbraw/zinc/49/34/23/455493423.db2.gz VCGVWSLQYAFEKR-INIZCTEOSA-N -1 3 349.814 3.454 10 10 EGCEHM Cc1nnc([C@@H](N[C@H](C)c2ccc(F)cc2[O-])c2ccccc2)[nH]1 ZINC000185324403 455540282 /nfs/dbraw/zinc/54/02/82/455540282.db2.gz RXXJLWQCXVNJNG-DIFFPNOSSA-N -1 3 326.375 3.398 10 10 EGCEHM Cc1nc([C@@H](N[C@H](C)c2ccc(F)cc2[O-])c2ccccc2)n[nH]1 ZINC000185324403 455540286 /nfs/dbraw/zinc/54/02/86/455540286.db2.gz RXXJLWQCXVNJNG-DIFFPNOSSA-N -1 3 326.375 3.398 10 10 EGCEHM CCN(Cc1cc(C)ncn1)Cc1cc(Br)ccc1[O-] ZINC000292540925 455691716 /nfs/dbraw/zinc/69/17/16/455691716.db2.gz PWZJNMDLAGQBNV-UHFFFAOYSA-N -1 3 336.233 3.275 10 10 EGCEHM CO[C@H](C)c1noc(CN(C)Cc2cc(Cl)cc(C)c2[O-])n1 ZINC000271761994 455750904 /nfs/dbraw/zinc/75/09/04/455750904.db2.gz DUOMLIWSJJVBNV-SNVBAGLBSA-N -1 3 325.796 3.076 10 10 EGCEHM C[C@@H]1C[C@@]2(CCO1)CN(Cc1cc(Cl)ccc1[O-])C[C@H](C)O2 ZINC000366790789 457899649 /nfs/dbraw/zinc/89/96/49/457899649.db2.gz BFGNNARNFBOMLC-IGCXYCKISA-N -1 3 325.836 3.204 10 10 EGCEHM Cc1cc(Cl)cc(CN2C[C@H](C)O[C@@]3(CCCOC3)C2)c1[O-] ZINC000373634857 458560075 /nfs/dbraw/zinc/56/00/75/458560075.db2.gz GEFSISIJAOKJIM-GUYCJALGSA-N -1 3 325.836 3.124 10 10 EGCEHM CN(C)c1ccc(CNC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)cc1 ZINC000726884169 574575423 /nfs/dbraw/zinc/57/54/23/574575423.db2.gz YODYQNBOYLGGJT-UHFFFAOYSA-N -1 3 340.423 3.102 10 10 EGCEHM O=C(Nc1cc(F)cc(Br)c1)c1cccc(O)c1[O-] ZINC000387430802 1297596360 /nfs/dbraw/zinc/59/63/60/1297596360.db2.gz WYGAAXYOLSMLBO-UHFFFAOYSA-N -1 3 326.121 3.252 10 10 EGCEHM C[C@@H](N[C@@H]1c2ccccc2CN(C)C1=O)c1cc(Cl)ccc1[O-] ZINC000857875385 1328611947 /nfs/dbraw/zinc/61/19/47/1328611947.db2.gz LXWADKFGYUETTG-PIGZYNQJSA-N -1 3 330.815 3.410 10 10 EGCEHM CCOCc1ccc(CNC(=O)NCc2c([O-])cccc2F)cc1 ZINC000914062088 1319222267 /nfs/dbraw/zinc/22/22/67/1319222267.db2.gz QJMFATANOABHBD-UHFFFAOYSA-N -1 3 332.375 3.067 10 10 EGCEHM O=C(NCc1ccc(N2CCCC2)cc1)NCc1c([O-])cccc1F ZINC000914180331 1319259193 /nfs/dbraw/zinc/25/91/93/1319259193.db2.gz LPIVICTVQKWHDC-UHFFFAOYSA-N -1 3 343.402 3.131 10 10 EGCEHM Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)NCc1c([O-])cccc1F ZINC000922009041 1322438519 /nfs/dbraw/zinc/43/85/19/1322438519.db2.gz MTYBGPKUIMWAKP-NSHDSACASA-N -1 3 348.422 3.352 10 10 EGCEHM C[C@]1(CNC(=O)NCc2c([O-])cccc2F)CCOC2(CCC2)C1 ZINC000924051523 1322885633 /nfs/dbraw/zinc/88/56/33/1322885633.db2.gz LIIJYRGYMBMWAU-KRWDZBQOSA-N -1 3 336.407 3.070 10 10 EGCEHM CCOC(=O)c1sc(NC(=O)c2ccc(C)c(O)c2[O-])cc1C ZINC001149480771 1379387330 /nfs/dbraw/zinc/38/73/30/1379387330.db2.gz VYBHUTJTIORKKX-UHFFFAOYSA-N -1 3 335.381 3.205 10 10 EGCEHM Cc1ccc(C(=O)Nc2ccc3[nH]c(=O)n(C4CC4)c3c2)c([O-])c1O ZINC001302905184 1383772732 /nfs/dbraw/zinc/77/27/32/1383772732.db2.gz YVMJDUHSCZCVBC-UHFFFAOYSA-N -1 3 339.351 3.049 10 10 EGCEHM O=C(NCc1c([O-])cccc1F)c1sccc1Br ZINC001178410085 1386209163 /nfs/dbraw/zinc/20/91/63/1386209163.db2.gz LMZFVRQFUMUZPV-UHFFFAOYSA-N -1 3 330.178 3.285 10 10 EGCEHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(O)c(NC(C)=O)c2)cc1 ZINC000012536096 258054607 /nfs/dbraw/zinc/05/46/07/258054607.db2.gz DUMLZRKUFJYNDO-UHFFFAOYSA-N -1 3 348.424 3.104 10 10 EGCEHM O=C1c2ccccc2N[C@H](c2cc(O)c([O-])c(Cl)c2)N1C1CC1 ZINC000007364412 453064685 /nfs/dbraw/zinc/06/46/85/453064685.db2.gz XEERWWMTHDIXGX-INIZCTEOSA-N -1 3 330.771 3.480 10 10 EGCEHM O=[N+]([O-])c1ccc([O-])c(CN[C@@H](c2ccc(F)cc2)[C@H]2CCCO2)c1 ZINC000089782874 454198364 /nfs/dbraw/zinc/19/83/64/454198364.db2.gz QDYJQBCDOKCQII-MSOLQXFVSA-N -1 3 346.358 3.449 10 10 EGCEHM COc1cc(Cl)cc(CN2CCO[C@H](c3cccc(O)c3)C2)c1[O-] ZINC000184694971 455429165 /nfs/dbraw/zinc/42/91/65/455429165.db2.gz AYRSXKGJDLTVNX-KRWDZBQOSA-N -1 3 349.814 3.333 10 10 EGCEHM O=C1[C@@H](NCc2cc(Cl)ccc2[O-])CCN1Cc1ccc(F)cc1 ZINC000191767613 455518157 /nfs/dbraw/zinc/51/81/57/455518157.db2.gz QYDBNVKLDFZSIA-INIZCTEOSA-N -1 3 348.805 3.075 10 10 EGCEHM COc1ccc([C@@H]2C[C@H](C)N(C(=O)c3cccc(O)c3[O-])C2)cc1 ZINC000193080389 455742179 /nfs/dbraw/zinc/74/21/79/455742179.db2.gz FGOQMFWPHINJBU-GXTWGEPZSA-N -1 3 327.380 3.125 10 10 EGCEHM COC[C@H](N[C@@H](C)c1cc(C(=O)OC)ccc1[O-])c1ccccc1 ZINC000273347891 456224247 /nfs/dbraw/zinc/22/42/47/456224247.db2.gz BAYDSGFWXFYNJK-GUYCJALGSA-N -1 3 329.396 3.217 10 10 EGCEHM C[C@@H]1CN(Cc2cccc(Cl)c2[O-])C[C@@]2(CCO[C@H](C)C2)O1 ZINC000366813512 457901818 /nfs/dbraw/zinc/90/18/18/457901818.db2.gz WNEZAPXYQQVQQA-XNJGSVPQSA-N -1 3 325.836 3.204 10 10 EGCEHM CC(=O)c1cc(F)cc(CN2CCN(Cc3ccccc3)CC2)c1[O-] ZINC000310332272 1297092951 /nfs/dbraw/zinc/09/29/51/1297092951.db2.gz FGNHHHZGYMRIIO-UHFFFAOYSA-N -1 3 342.414 3.052 10 10 EGCEHM CC(=O)c1cc(Cl)cc(CN2CCC[C@H](c3ncccn3)C2)c1[O-] ZINC000886680978 1303557601 /nfs/dbraw/zinc/55/76/01/1303557601.db2.gz PQWJCMILSAAKTB-ZDUSSCGKSA-N -1 3 345.830 3.418 10 10 EGCEHM COc1c([O-])c(CN[C@H]2c3ccccc3CC[C@H]2F)ccc1[N+](=O)[O-] ZINC000895690695 1309466803 /nfs/dbraw/zinc/46/68/03/1309466803.db2.gz KKBRKQVPLVLFJC-ZBFHGGJFSA-N -1 3 346.358 3.424 10 10 EGCEHM COc1ccc(C)cc1[C@H](C)NC(=O)NCc1c([O-])cccc1F ZINC000913936585 1319183655 /nfs/dbraw/zinc/18/36/55/1319183655.db2.gz SOVBHGVDRYXFEM-LBPRGKRZSA-N -1 3 332.375 3.409 10 10 EGCEHM O=C(NCc1c([O-])cccc1F)N[C@H]1CCCOc2cc(F)ccc21 ZINC000921823479 1322405507 /nfs/dbraw/zinc/40/55/07/1322405507.db2.gz DNSWVVPPLHIWAR-HNNXBMFYSA-N -1 3 348.349 3.384 10 10 EGCEHM Cc1cc(Br)c([O-])c(CN[C@@H](c2ncccn2)C2CC2)c1 ZINC000922578064 1322562043 /nfs/dbraw/zinc/56/20/43/1322562043.db2.gz HGMPGYAISWTOSQ-CQSZACIVSA-N -1 3 348.244 3.494 10 10 EGCEHM Cc1cc(Br)c([O-])c(CNc2ccn(CCF)n2)c1 ZINC000865835957 1329743552 /nfs/dbraw/zinc/74/35/52/1329743552.db2.gz LKDISXSQGGYJLC-UHFFFAOYSA-N -1 3 328.185 3.241 10 10 EGCEHM COC(=O)CN(CCCC(C)(F)F)Cc1cc(Cl)ccc1[O-] ZINC001191681588 1367559473 /nfs/dbraw/zinc/55/94/73/1367559473.db2.gz DUWDLSFMCFDIAR-UHFFFAOYSA-N -1 3 335.778 3.456 10 10 EGCEHM CN(C)c1ccc(NC(=O)c2cccc(O)c2[O-])cc1C(F)(F)F ZINC001142341463 1378433874 /nfs/dbraw/zinc/43/38/74/1378433874.db2.gz RBUSYXYKAGBISN-UHFFFAOYSA-N -1 3 340.301 3.435 10 10 EGCEHM O=C(NCc1c(Cl)cccc1OC(F)F)c1cccc(O)c1[O-] ZINC001151873239 1379806801 /nfs/dbraw/zinc/80/68/01/1379806801.db2.gz YHICFZHMJRTECS-UHFFFAOYSA-N -1 3 343.713 3.283 10 10 EGCEHM CCOc1c(Cl)cccc1CC(=O)NCc1c([O-])cccc1F ZINC001178412597 1386210109 /nfs/dbraw/zinc/21/01/09/1386210109.db2.gz BFEUNSUQDQHQKY-UHFFFAOYSA-N -1 3 337.778 3.442 10 10 EGCEHM O=C(NCc1c([O-])cccc1F)c1ccc(Br)c(F)c1 ZINC001178413619 1386210213 /nfs/dbraw/zinc/21/02/13/1386210213.db2.gz VFGHXMRUXDVFJP-UHFFFAOYSA-N -1 3 342.139 3.363 10 10 EGCEHM [O-]c1ccccc1CN(Cc1cc(CO)ccc1F)C[C@H]1CCCO1 ZINC000528420490 313089498 /nfs/dbraw/zinc/08/94/98/313089498.db2.gz VKKBASBEDHPICR-GOSISDBHSA-N -1 3 345.414 3.205 10 10 EGCEHM Cc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccncc2)c([O-])c1O ZINC000177676563 454890998 /nfs/dbraw/zinc/89/09/98/454890998.db2.gz JQFHVPDWTMBQJC-KRWDZBQOSA-N -1 3 334.375 3.321 10 10 EGCEHM C[C@H](NCc1cc(Cl)c(F)cc1[O-])C(=O)N1CCCC[C@H]1C ZINC000294410541 455814892 /nfs/dbraw/zinc/81/48/92/455814892.db2.gz WKKKFRINJJUXLL-MNOVXSKESA-N -1 3 328.815 3.064 10 10 EGCEHM CC1(C)CO[C@H](c2ccccc2)CN1C(=O)c1cccc(O)c1[O-] ZINC000188382957 456054287 /nfs/dbraw/zinc/05/42/87/456054287.db2.gz LFRLTYBKCKPQMI-INIZCTEOSA-N -1 3 327.380 3.090 10 10 EGCEHM Cc1ccc(C(=O)N2CC[C@](F)(c3ccccc3C)C2)c([O-])c1O ZINC000374411375 457618698 /nfs/dbraw/zinc/61/86/98/457618698.db2.gz YVSRNVWHDIPBNO-LJQANCHMSA-N -1 3 329.371 3.426 10 10 EGCEHM COc1ccc(OC)c([C@H]2CCCN2C(=O)c2cccc(O)c2[O-])c1 ZINC000368886541 458064493 /nfs/dbraw/zinc/06/44/93/458064493.db2.gz CUKJHHSUOQPWHK-OAHLLOKOSA-N -1 3 343.379 3.092 10 10 EGCEHM CC(=O)c1cc(F)cc(CN2CC[C@@H](C(F)(F)F)O[C@@H](C)C2)c1[O-] ZINC000880056812 1300905337 /nfs/dbraw/zinc/90/53/37/1300905337.db2.gz KVRJXUKUMFLEAL-XPTSAGLGSA-N -1 3 349.324 3.276 10 10 EGCEHM CC(C)[C@@H](C)NC(=O)C1CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000893987283 1306165445 /nfs/dbraw/zinc/16/54/45/1306165445.db2.gz QJUHHSBNZPOKTP-GFCCVEGCSA-N -1 3 340.414 3.043 10 10 EGCEHM O=C(NCc1c([O-])cccc1F)Nc1cccc(N2CCCC2)c1 ZINC000929973284 1328753652 /nfs/dbraw/zinc/75/36/52/1328753652.db2.gz JCRXRTGBKCIUQW-UHFFFAOYSA-N -1 3 329.375 3.453 10 10 EGCEHM COc1ccc(C)cc1[C@@H](C)NC(=O)NCc1c([O-])cccc1F ZINC000913936584 1319183830 /nfs/dbraw/zinc/18/38/30/1319183830.db2.gz SOVBHGVDRYXFEM-GFCCVEGCSA-N -1 3 332.375 3.409 10 10 EGCEHM CC(C)n1cc2c(n1)[C@H](NC(=O)NCc1c([O-])cccc1F)CCC2 ZINC000921997040 1322436798 /nfs/dbraw/zinc/43/67/98/1322436798.db2.gz PHKYAVZFBGHKFN-OAHLLOKOSA-N -1 3 346.406 3.186 10 10 EGCEHM COCCC1(CNC(=O)NCc2c([O-])cccc2F)CCCCC1 ZINC000922064010 1322446878 /nfs/dbraw/zinc/44/68/78/1322446878.db2.gz QDPQEHHKVPRQTJ-UHFFFAOYSA-N -1 3 338.423 3.318 10 10 EGCEHM COc1ccccc1C[C@H](C)CC(=O)NCc1c([O-])cccc1F ZINC000928710385 1328405878 /nfs/dbraw/zinc/40/58/78/1328405878.db2.gz CQILNBWTDUDISE-ZDUSSCGKSA-N -1 3 331.387 3.425 10 10 EGCEHM CC(=O)c1ccc(OCCCC(=O)NCc2c([O-])cccc2F)cc1 ZINC000928711056 1328406442 /nfs/dbraw/zinc/40/64/42/1328406442.db2.gz ZKZAAJKRPGOWSN-UHFFFAOYSA-N -1 3 345.370 3.209 10 10 EGCEHM C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)NCc2c([O-])cccc2F)cc1 ZINC000928712018 1328407373 /nfs/dbraw/zinc/40/73/73/1328407373.db2.gz NCNAWNUYAXTUBS-RISCZKNCSA-N -1 3 342.370 3.056 10 10 EGCEHM CC(C)n1ncc2c1[C@@H](NC(=O)NCc1c([O-])cccc1F)CCC2 ZINC001119613371 1371375646 /nfs/dbraw/zinc/37/56/46/1371375646.db2.gz HHQKNGGCHIYQIS-HNNXBMFYSA-N -1 3 346.406 3.186 10 10 EGCEHM Cc1ccc(C(=O)Nc2cc(-c3cccc(F)c3F)[nH]n2)c([O-])c1O ZINC001160910236 1382231085 /nfs/dbraw/zinc/23/10/85/1382231085.db2.gz YVJGSPOUCNHEAW-UHFFFAOYSA-N -1 3 345.305 3.327 10 10 EGCEHM CC(C)CCOc1ccccc1CNC(=O)c1cccc(O)c1[O-] ZINC001296357436 1382975428 /nfs/dbraw/zinc/97/54/28/1382975428.db2.gz BJZABOHAVKWFNV-UHFFFAOYSA-N -1 3 329.396 3.453 10 10 EGCEHM C[C@H](C1CCCC1)N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000278043022 455742513 /nfs/dbraw/zinc/74/25/13/455742513.db2.gz WDHIDCBEXOQJLJ-LLVKDONJSA-N -1 3 336.819 3.389 10 10 EGCEHM COc1ccc([C@H](CCO)NCc2cc(Cl)c(F)cc2[O-])cc1 ZINC000293547673 455790075 /nfs/dbraw/zinc/79/00/75/455790075.db2.gz GQDNTVINVPJVTP-INIZCTEOSA-N -1 3 339.794 3.407 10 10 EGCEHM CCCC(=O)NC[C@@H]1CCCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000295384769 455847932 /nfs/dbraw/zinc/84/79/32/455847932.db2.gz PHODFIPPFQIZJE-LBPRGKRZSA-N -1 3 342.842 3.313 10 10 EGCEHM CCN(C(=O)c1cccc(O)c1[O-])[C@@H](C)Cc1ccc(OC)cc1 ZINC000296803460 456041696 /nfs/dbraw/zinc/04/16/96/456041696.db2.gz FGEQCILSIRYBRT-ZDUSSCGKSA-N -1 3 329.396 3.200 10 10 EGCEHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2cc(F)ccc2OC)c1 ZINC000275287229 456272410 /nfs/dbraw/zinc/27/24/10/456272410.db2.gz FSFCEHJNRPYRLJ-LLVKDONJSA-N -1 3 333.359 3.177 10 10 EGCEHM [O-]c1cc(OCc2ccccc2)ccc1CN1CC(F)(F)C[C@H]1CO ZINC000364843800 457703628 /nfs/dbraw/zinc/70/36/28/457703628.db2.gz METBRMBJVPVSOP-INIZCTEOSA-N -1 3 349.377 3.173 10 10 EGCEHM C[C@@H]1CN(Cc2cc(Cl)ccc2[O-])C[C@@]2(CCO[C@H](C)C2)O1 ZINC000366790792 457900012 /nfs/dbraw/zinc/90/00/12/457900012.db2.gz BFGNNARNFBOMLC-XNJGSVPQSA-N -1 3 325.836 3.204 10 10 EGCEHM COc1c([O-])c(CN[C@@H]2CCCc3nc(C)sc32)ccc1[N+](=O)[O-] ZINC000373209924 458431191 /nfs/dbraw/zinc/43/11/91/458431191.db2.gz XWYFQQBESXWDKD-LLVKDONJSA-N -1 3 349.412 3.241 10 10 EGCEHM Cc1cc([O-])c(CNC[C@@H](n2cccn2)C(F)(F)F)c(Cl)c1 ZINC000527738528 459720233 /nfs/dbraw/zinc/72/02/33/459720233.db2.gz QCVDJUMNLAYUTR-CYBMUJFWSA-N -1 3 333.741 3.444 10 10 EGCEHM C[C@@H](N[C@H]1c2ccccc2CN(C)C1=O)c1cc(F)cc(F)c1[O-] ZINC000857875100 1328612016 /nfs/dbraw/zinc/61/20/16/1328612016.db2.gz GIKAJVKHPDHNIG-HWPZZCPQSA-N -1 3 332.350 3.034 10 10 EGCEHM O=C(c1cccc(O)c1[O-])N1CCCSC[C@H]1c1ccccc1 ZINC000921643285 1322369067 /nfs/dbraw/zinc/36/90/67/1322369067.db2.gz MDTYVXANBUXACC-HNNXBMFYSA-N -1 3 329.421 3.418 10 10 EGCEHM O=C(NCc1c([O-])cccc1F)c1ccc([C@@H]2CCCOC2)cc1 ZINC000928709216 1328404527 /nfs/dbraw/zinc/40/45/27/1328404527.db2.gz YUSIHNZHXGGWLU-OAHLLOKOSA-N -1 3 329.371 3.355 10 10 EGCEHM COc1cc(OC2CC2)ccc1C(=O)NCc1c([O-])cccc1F ZINC000928708545 1328404591 /nfs/dbraw/zinc/40/45/91/1328404591.db2.gz ONPMDXHGQFFEBX-UHFFFAOYSA-N -1 3 331.343 3.011 10 10 EGCEHM O=C(NCc1c([O-])cccc1F)c1cc(-c2c(F)cccc2F)no1 ZINC001178412595 1386209903 /nfs/dbraw/zinc/20/99/03/1386209903.db2.gz AZSXPHJKRAZVEQ-UHFFFAOYSA-N -1 3 348.280 3.395 10 10 EGCEHM Cc1ccc(C(=O)N2CCC[C@@H]2C[C@H](O)c2ccccc2)c([O-])c1O ZINC000179526856 455055724 /nfs/dbraw/zinc/05/57/24/455055724.db2.gz WRZHNJHMMSDDSB-WBVHZDCISA-N -1 3 341.407 3.135 10 10 EGCEHM Cc1nnc([C@H](N[C@H](C)c2cc(F)ccc2[O-])c2ccccc2)[nH]1 ZINC000185325019 455540705 /nfs/dbraw/zinc/54/07/05/455540705.db2.gz LTXAFVPUWKGVRI-PIGZYNQJSA-N -1 3 326.375 3.398 10 10 EGCEHM C[C@H](N[C@H]1CCCn2ncnc21)c1cc(Cl)c(Cl)cc1[O-] ZINC000192939620 455722473 /nfs/dbraw/zinc/72/24/73/455722473.db2.gz YPFGHTPHACKRTN-UFBFGSQYSA-N -1 3 327.215 3.476 10 10 EGCEHM CC(C)(CO)[C@@H](NCc1cc(Cl)c(F)cc1[O-])c1cccnc1 ZINC000293518550 455789270 /nfs/dbraw/zinc/78/92/70/455789270.db2.gz ATRADJYIMRWDOV-INIZCTEOSA-N -1 3 338.810 3.429 10 10 EGCEHM C[C@@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccc2c(c1)OCCO2 ZINC000273388040 456226767 /nfs/dbraw/zinc/22/67/67/456226767.db2.gz KBRPMPUSRDFIOQ-VXGBXAGGSA-N -1 3 344.367 3.483 10 10 EGCEHM Cc1cc(Cl)cc(CN2C[C@@H](C)O[C@@]3(CCCOC3)C2)c1[O-] ZINC000373634855 458560017 /nfs/dbraw/zinc/56/00/17/458560017.db2.gz GEFSISIJAOKJIM-DYVFJYSZSA-N -1 3 325.836 3.124 10 10 EGCEHM Cn1ncc(C(F)(F)F)c1CNCc1c([O-])ccc(Cl)c1F ZINC000858210579 1328711796 /nfs/dbraw/zinc/71/17/96/1328711796.db2.gz ASXAXHYVSPWRSI-UHFFFAOYSA-N -1 3 337.704 3.227 10 10 EGCEHM CC[C@H](NC(=O)NCc1c([O-])cccc1F)c1ccc(OC)cc1 ZINC000913909768 1319172818 /nfs/dbraw/zinc/17/28/18/1319172818.db2.gz KGOUMZKNUQXVJW-INIZCTEOSA-N -1 3 332.375 3.490 10 10 EGCEHM CC(C)[C@H](CNC(=O)NCc1c([O-])cccc1F)c1cccnc1 ZINC000921366515 1322301872 /nfs/dbraw/zinc/30/18/72/1322301872.db2.gz NZWNRVLLMXDJIK-AWEZNQCLSA-N -1 3 331.391 3.165 10 10 EGCEHM O=C(NCc1c([O-])cccc1F)c1cccc([C@H]2CCCOC2)c1 ZINC000928705491 1328403640 /nfs/dbraw/zinc/40/36/40/1328403640.db2.gz KOHADZKHNWUGRG-HNNXBMFYSA-N -1 3 329.371 3.355 10 10 EGCEHM COc1ccc2c(c1)C[C@H](C)N(C(=O)c1cccc(O)c1[O-])[C@@H]2C ZINC001138144689 1377684982 /nfs/dbraw/zinc/68/49/82/1377684982.db2.gz GHKNHJDXAKQNOF-NWDGAFQWSA-N -1 3 327.380 3.254 10 10 EGCEHM Cc1cc(C(=O)NCc2c([O-])cccc2F)c2ccc(F)cc2n1 ZINC001156164200 1380534331 /nfs/dbraw/zinc/53/43/31/1380534331.db2.gz RIHBZKGZLUKNOD-UHFFFAOYSA-N -1 3 328.318 3.457 10 10 EGCEHM Cc1ccc(C(=O)Nc2ccc(Oc3cccnn3)cc2)c([O-])c1O ZINC001301428868 1383714219 /nfs/dbraw/zinc/71/42/19/1383714219.db2.gz ZIRZYIRKTCCVQZ-UHFFFAOYSA-N -1 3 337.335 3.241 10 10 EGCEHM Cc1ccc(C(=O)N2CC3(CCOCC3)c3ccccc32)c([O-])c1O ZINC000189842317 455245592 /nfs/dbraw/zinc/24/55/92/455245592.db2.gz AXNNXSCZHKVADD-UHFFFAOYSA-N -1 3 339.391 3.115 10 10 EGCEHM [O-]c1ccc(F)cc1CN[C@@H](c1ncon1)c1ccc(Cl)cc1 ZINC000180897446 455261969 /nfs/dbraw/zinc/26/19/69/455261969.db2.gz FIGUKLNBENRAHV-OAHLLOKOSA-N -1 3 333.750 3.447 10 10 EGCEHM CO[C@H]1C[C@H](c2nc(C)no2)N(Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000190143205 455282621 /nfs/dbraw/zinc/28/26/21/455282621.db2.gz ABCWEJTWYVZERN-UONOGXRCSA-N -1 3 337.807 3.007 10 10 EGCEHM CCCN(CC(=O)Nc1ccccc1OC)Cc1ccccc1[O-] ZINC000069009929 454072979 /nfs/dbraw/zinc/07/29/79/454072979.db2.gz QABCSJQLYKWJEX-UHFFFAOYSA-N -1 3 328.412 3.252 10 10 EGCEHM CCN(CC)Cc1nc(C2(NCc3ccccc3[O-])CCCC2)no1 ZINC000124067272 454697171 /nfs/dbraw/zinc/69/71/71/454697171.db2.gz FJYZUGUECOYJDN-UHFFFAOYSA-N -1 3 344.459 3.176 10 10 EGCEHM CC(=O)c1cc(Cl)cc(CN2CCC[C@@H]2Cn2ccnc2C)c1[O-] ZINC000177372447 454857364 /nfs/dbraw/zinc/85/73/64/454857364.db2.gz LUWRNYUTDHWXCO-MRXNPFEDSA-N -1 3 347.846 3.418 10 10 EGCEHM COc1cc(OC)c(CN[C@H](C)c2ccc(F)cc2[O-])c(OC)c1 ZINC000185066018 455494941 /nfs/dbraw/zinc/49/49/41/455494941.db2.gz GXQIVFSTRMADHS-LLVKDONJSA-N -1 3 335.375 3.408 10 10 EGCEHM Cn1ccnc1CC1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000191340888 455478110 /nfs/dbraw/zinc/47/81/10/455478110.db2.gz VLJOUPGWXJHHSJ-UHFFFAOYSA-N -1 3 337.826 3.373 10 10 EGCEHM C[C@@H](NCc1cccc(N2CCOCC2)n1)c1cc(Cl)ccc1[O-] ZINC000274753894 456264640 /nfs/dbraw/zinc/26/46/40/456264640.db2.gz BTHKKFPVFOMZQC-CYBMUJFWSA-N -1 3 347.846 3.128 10 10 EGCEHM CC[C@H](NCc1cnn(CC)n1)c1ccc(C(F)(F)F)cc1[O-] ZINC000527922161 459774255 /nfs/dbraw/zinc/77/42/55/459774255.db2.gz CKTMOJOOYCAGJY-ZDUSSCGKSA-N -1 3 328.338 3.263 10 10 EGCEHM C[C@@H](OC(=O)c1cc([O-])cs1)C(=O)N1c2ccccc2CC[C@H]1C ZINC000732352664 575261346 /nfs/dbraw/zinc/26/13/46/575261346.db2.gz AXWAKDXALJAMDC-VXGBXAGGSA-N -1 3 345.420 3.367 10 10 EGCEHM COc1cccc([O-])c1CNCc1nc(-c2ccncc2)cs1 ZINC000733331591 575328856 /nfs/dbraw/zinc/32/88/56/575328856.db2.gz DFPHEVBJVPKRSO-UHFFFAOYSA-N -1 3 327.409 3.209 10 10 EGCEHM C[C@@H]1CN(Cc2cc(F)cc(F)c2[O-])CC[C@@H](C(F)(F)F)O1 ZINC000895477016 1309359064 /nfs/dbraw/zinc/35/90/64/1309359064.db2.gz PGUMFKYXRBGOBY-PELKAZGASA-N -1 3 325.277 3.212 10 10 EGCEHM CC[C@@H](N[C@H]1c2ccccc2CN(C)C1=O)c1ccc(F)cc1[O-] ZINC000857877539 1328612828 /nfs/dbraw/zinc/61/28/28/1328612828.db2.gz OUEZNSJOKDMCFB-AEFFLSMTSA-N -1 3 328.387 3.285 10 10 EGCEHM O=C(NCc1c([O-])cccc1F)N[C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000921767586 1322395132 /nfs/dbraw/zinc/39/51/32/1322395132.db2.gz QNNRTWQVVSMGQA-RDTXWAMCSA-N -1 3 344.386 3.108 10 10 EGCEHM O=C(NCC[C@@H]1OCCc2ccccc21)NCc1c([O-])cccc1F ZINC000927672593 1328099999 /nfs/dbraw/zinc/09/99/99/1328099999.db2.gz FWKBLQRNNGDNHZ-SFHVURJKSA-N -1 3 344.386 3.035 10 10 EGCEHM CC(=O)c1cc(Cl)cc(CN2CCC(O)(C3CCC3)CC2)c1[O-] ZINC000932820964 1329843923 /nfs/dbraw/zinc/84/39/23/1329843923.db2.gz WCAMWLBQTUKEBS-UHFFFAOYSA-N -1 3 337.847 3.375 10 10 EGCEHM O=[N+]([O-])c1ccc([O-])c(CN[C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)c1 ZINC000089782870 454197868 /nfs/dbraw/zinc/19/78/68/454197868.db2.gz QDYJQBCDOKCQII-ROUUACIJSA-N -1 3 346.358 3.449 10 10 EGCEHM C[C@H](NC(=O)c1ccc([O-])c(O)c1)c1nc(-c2cccnc2)cs1 ZINC000095997797 454257770 /nfs/dbraw/zinc/25/77/70/454257770.db2.gz NGHFFFIRMFRLJQ-JTQLQIEISA-N -1 3 341.392 3.107 10 10 EGCEHM O=C1[C@H](NCc2cc(Cl)c(F)cc2[O-])CCN1Cc1ccccc1 ZINC000293830248 455797698 /nfs/dbraw/zinc/79/76/98/455797698.db2.gz DSOJDIPQONUJAB-MRXNPFEDSA-N -1 3 348.805 3.075 10 10 EGCEHM CCCCNC(=O)C1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000295365518 455847091 /nfs/dbraw/zinc/84/70/91/455847091.db2.gz OCPYQZKXOQRYEM-UHFFFAOYSA-N -1 3 342.842 3.313 10 10 EGCEHM CC(=O)c1cc(F)cc(CN2CCC3(CCC(O)CC3)CC2)c1[O-] ZINC000295595695 455854533 /nfs/dbraw/zinc/85/45/33/455854533.db2.gz BVXDZDJRNOYXOU-UHFFFAOYSA-N -1 3 335.419 3.251 10 10 EGCEHM [O-]c1ccc(CNCc2ccc(N3CCOCC3)cc2)cc1Cl ZINC000733325704 575327926 /nfs/dbraw/zinc/32/79/26/575327926.db2.gz UYIMQRXTOLOMBO-UHFFFAOYSA-N -1 3 332.831 3.172 10 10 EGCEHM CCOCCN(CCOCC)Cc1c([O-])cccc1Br ZINC000707153392 1298225741 /nfs/dbraw/zinc/22/57/41/1298225741.db2.gz WLEBVXZACVNMIH-UHFFFAOYSA-N -1 3 346.265 3.030 10 10 EGCEHM COC[C@@H]1CCCCN1Cc1cc(Br)cc(F)c1[O-] ZINC000715783897 1298288958 /nfs/dbraw/zinc/28/89/58/1298288958.db2.gz DTNQOYYDLNNVLJ-LBPRGKRZSA-N -1 3 332.213 3.295 10 10 EGCEHM [O-]c1c(F)cc(Br)cc1CN1CCC(C2(O)CC2)CC1 ZINC000895133448 1309203599 /nfs/dbraw/zinc/20/35/99/1309203599.db2.gz JPIQXNPVYSFQAA-UHFFFAOYSA-N -1 3 344.224 3.031 10 10 EGCEHM C[C@H](N[C@@H]1c2ccccc2CN(C)C1=O)c1cc(Cl)ccc1[O-] ZINC000857875382 1328611716 /nfs/dbraw/zinc/61/17/16/1328611716.db2.gz LXWADKFGYUETTG-APPDUMDISA-N -1 3 330.815 3.410 10 10 EGCEHM CC(=O)c1cc(F)cc(CN2Cc3ccccc3NC(=O)[C@H]2C)c1[O-] ZINC000857923051 1328626853 /nfs/dbraw/zinc/62/68/53/1328626853.db2.gz VJVPDYHXKPCUTF-LLVKDONJSA-N -1 3 342.370 3.077 10 10 EGCEHM COCCOc1ccc(NC(=O)NCc2c([O-])cccc2F)c(C)c1 ZINC000929811667 1328708063 /nfs/dbraw/zinc/70/80/63/1328708063.db2.gz DJOLDRFSXOUQDG-UHFFFAOYSA-N -1 3 348.374 3.187 10 10 EGCEHM COc1ccc(OC)c([C@@H](C)NC(=O)NCc2c([O-])cccc2F)c1 ZINC000913930048 1319181472 /nfs/dbraw/zinc/18/14/72/1319181472.db2.gz MFHGPMUXUFHYRX-LLVKDONJSA-N -1 3 348.374 3.109 10 10 EGCEHM O=C(NCc1c([O-])cccc1F)N[C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000921767585 1322395289 /nfs/dbraw/zinc/39/52/89/1322395289.db2.gz QNNRTWQVVSMGQA-KSSFIOAISA-N -1 3 344.386 3.108 10 10 EGCEHM O=C(C[C@H](c1ccc(O)cc1)C1CC1)NCc1c([O-])cccc1F ZINC000928704951 1328403410 /nfs/dbraw/zinc/40/34/10/1328403410.db2.gz BHHGNAPPVPKTBI-HNNXBMFYSA-N -1 3 329.371 3.437 10 10 EGCEHM CC(=O)c1c(C)[nH]c(C(=O)NCc2c([O-])cccc2F)c1C(C)C ZINC000928704893 1328403484 /nfs/dbraw/zinc/40/34/84/1328403484.db2.gz FZDJGSCEOORGPZ-UHFFFAOYSA-N -1 3 332.375 3.424 10 10 EGCEHM C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)NCc2c([O-])cccc2F)cc1 ZINC000928712021 1328407356 /nfs/dbraw/zinc/40/73/56/1328407356.db2.gz NCNAWNUYAXTUBS-SMDDNHRTSA-N -1 3 342.370 3.056 10 10 EGCEHM Cc1cc(N(C)C)cc(C)c1CC(=O)NCc1c([O-])cccc1F ZINC001178412994 1386210204 /nfs/dbraw/zinc/21/02/04/1386210204.db2.gz JVRRCXGPLYXMDB-UHFFFAOYSA-N -1 3 330.403 3.073 10 10 EGCEHM Cn1cc([C@H]2CCCN2Cc2cc(Br)ccc2[O-])cn1 ZINC000131804168 454288546 /nfs/dbraw/zinc/28/85/46/454288546.db2.gz KVCQLZOGJBKUCJ-CQSZACIVSA-N -1 3 336.233 3.225 10 10 EGCEHM Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000137325970 454777393 /nfs/dbraw/zinc/77/73/93/454777393.db2.gz FBEYNIUDRYSNPT-NSHDSACASA-N -1 3 331.416 3.157 10 10 EGCEHM COc1cc(Cl)cc(CN2CCO[C@H](c3nccs3)C2)c1[O-] ZINC000184687055 455427747 /nfs/dbraw/zinc/42/77/47/455427747.db2.gz YKRBWAHUYCUZDK-ZDUSSCGKSA-N -1 3 340.832 3.084 10 10 EGCEHM [O-]c1cc(F)c(Cl)cc1CN1CC[C@@](CO)(c2ccccc2)C1 ZINC000293987912 455801874 /nfs/dbraw/zinc/80/18/74/455801874.db2.gz RUHBAMLICZONMI-GOSISDBHSA-N -1 3 335.806 3.321 10 10 EGCEHM C[C@@H](N[C@H]1CCN(Cc2ccc(F)cc2)C1=O)c1ccc(F)cc1[O-] ZINC000189047652 456210994 /nfs/dbraw/zinc/21/09/94/456210994.db2.gz PRHVTORVMMDOHG-PXAZEXFGSA-N -1 3 346.377 3.122 10 10 EGCEHM CCOCc1nc([C@H](C)N[C@@H](C)c2cc(Cl)ccc2[O-])no1 ZINC000290092008 456237920 /nfs/dbraw/zinc/23/79/20/456237920.db2.gz HLYUHCSNFAILJR-UWVGGRQHSA-N -1 3 325.796 3.377 10 10 EGCEHM Cc1cc(F)cc([C@@]2(F)CCN(C(=O)c3cccc(O)c3[O-])C2)c1 ZINC000374472429 457636688 /nfs/dbraw/zinc/63/66/88/457636688.db2.gz QMJOOLJXNATAPO-GOSISDBHSA-N -1 3 333.334 3.256 10 10 EGCEHM CC[C@@H]1CN(Cc2cc(Cl)cc(C)c2[O-])C[C@]2(CCOC2)O1 ZINC000373484808 458506895 /nfs/dbraw/zinc/50/68/95/458506895.db2.gz YDOYLCVEKJNDPN-WBVHZDCISA-N -1 3 325.836 3.124 10 10 EGCEHM O=C(c1cc([O-])cs1)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000731864358 575213248 /nfs/dbraw/zinc/21/32/48/575213248.db2.gz RMDOQIGSBKPENZ-UHFFFAOYSA-N -1 3 342.873 3.127 10 10 EGCEHM CC(C)N(Cc1ccccc1)C(=O)[C@H](C)OC(=O)c1cc([O-])cs1 ZINC000732354976 575262060 /nfs/dbraw/zinc/26/20/60/575262060.db2.gz YLEOCXPYFQYUSL-ZDUSSCGKSA-N -1 3 347.436 3.436 10 10 EGCEHM CCCCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)cc1 ZINC000033872260 1291388839 /nfs/dbraw/zinc/38/88/39/1291388839.db2.gz WVYZUWBDSLWOPC-UHFFFAOYSA-N -1 3 349.408 3.395 10 10 EGCEHM COCC[C@@H](NC(=O)NCc1c([O-])cccc1F)c1ccc(C)o1 ZINC000921838446 1322409582 /nfs/dbraw/zinc/40/95/82/1322409582.db2.gz JYYPHXHHHXKIOO-CQSZACIVSA-N -1 3 336.363 3.010 10 10 EGCEHM CC(C)(C)Oc1cccc(CCC(=O)NCc2c([O-])cccc2F)n1 ZINC000928705669 1328403699 /nfs/dbraw/zinc/40/36/99/1328403699.db2.gz MRRLTEFYKADLCK-UHFFFAOYSA-N -1 3 346.402 3.353 10 10 EGCEHM C[C@](CO)(NCc1cc(Cl)cc(Cl)c1[O-])c1cccc(O)c1 ZINC000862432808 1329486214 /nfs/dbraw/zinc/48/62/14/1329486214.db2.gz OBYFJRUKEYMXFF-MRXNPFEDSA-N -1 3 342.222 3.402 10 10 EGCEHM CN(C(=O)c1cccc(O)c1[O-])[C@@H](CCc1ccccc1)C(F)F ZINC000863729886 1329578361 /nfs/dbraw/zinc/57/83/61/1329578361.db2.gz QYEPJPJRBAZBOP-AWEZNQCLSA-N -1 3 335.350 3.436 10 10 EGCEHM COc1cccc(CNC(=O)c2cc3sccc3c([O-])c2)c1O ZINC001137473814 1377553993 /nfs/dbraw/zinc/55/39/93/1377553993.db2.gz XFEZMSGIONBRTH-UHFFFAOYSA-N -1 3 329.377 3.251 10 10 EGCEHM Cc1ccc(C(=O)Nc2cc(Cl)cnc2OC(C)C)c([O-])c1O ZINC001140633235 1378101800 /nfs/dbraw/zinc/10/18/00/1378101800.db2.gz GJXANPGIEBTKTF-UHFFFAOYSA-N -1 3 336.775 3.494 10 10 EGCEHM O=C(NCc1c([O-])cccc1F)c1oc(C2CC2)nc1C(F)F ZINC001347390783 1391067093 /nfs/dbraw/zinc/06/70/93/1391067093.db2.gz VQGGHTLNMXKULV-UHFFFAOYSA-N -1 3 326.274 3.264 10 10 EGCEHM [O-]c1ccc(Br)cc1CN1CC[C@@H](Oc2cccnc2)C1 ZINC000093690491 454730554 /nfs/dbraw/zinc/73/05/54/454730554.db2.gz NBYFCBVBXHHRIT-OAHLLOKOSA-N -1 3 349.228 3.203 10 10 EGCEHM Cc1ccc(C(=O)N2C[C@H](C)O[C@@H](c3ccccc3)C2)c([O-])c1O ZINC000177676275 454890691 /nfs/dbraw/zinc/89/06/91/454890691.db2.gz IELDMROHZJHNCL-XJKSGUPXSA-N -1 3 327.380 3.008 10 10 EGCEHM Cc1ccc(C(=O)N2C[C@@H](C)O[C@H](c3ccccc3)C2)c([O-])c1O ZINC000177676264 454890756 /nfs/dbraw/zinc/89/07/56/454890756.db2.gz IELDMROHZJHNCL-CJNGLKHVSA-N -1 3 327.380 3.008 10 10 EGCEHM Cc1ccc(C(=O)N2CCC[C@H]2C[C@@H](O)c2ccccc2)c([O-])c1O ZINC000179526890 455055962 /nfs/dbraw/zinc/05/59/62/455055962.db2.gz WRZHNJHMMSDDSB-DOTOQJQBSA-N -1 3 341.407 3.135 10 10 EGCEHM Cc1cc(CN(C)Cc2cc(Br)cc(C)c2[O-])no1 ZINC000179734718 455071414 /nfs/dbraw/zinc/07/14/14/455071414.db2.gz JRQOJXHSGJZCCT-UHFFFAOYSA-N -1 3 325.206 3.392 10 10 EGCEHM C[C@@H](N[C@H](C)c1ccc(F)cc1[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000185170501 455515192 /nfs/dbraw/zinc/51/51/92/455515192.db2.gz QOFGRRHGIKRCDA-VXGBXAGGSA-N -1 3 337.416 3.347 10 10 EGCEHM Cc1ccc(C)c([C@@H]2CN(C(=O)c3cccc(O)c3[O-])[C@@H](C)CO2)c1 ZINC000185742930 455612186 /nfs/dbraw/zinc/61/21/86/455612186.db2.gz NWOJCPZIQQJOJY-KSSFIOAISA-N -1 3 341.407 3.317 10 10 EGCEHM CO[C@@H](C)c1noc(CN(C)Cc2cc(Cl)cc(C)c2[O-])n1 ZINC000271761992 455750481 /nfs/dbraw/zinc/75/04/81/455750481.db2.gz DUOMLIWSJJVBNV-JTQLQIEISA-N -1 3 325.796 3.076 10 10 EGCEHM COc1cccc(CNCc2cc(Cl)c(F)cc2[O-])c1OC ZINC000294353637 455812289 /nfs/dbraw/zinc/81/22/89/455812289.db2.gz SUWSWCOYYWOMCD-UHFFFAOYSA-N -1 3 325.767 3.492 10 10 EGCEHM COCCC1(C)CN(Cc2cc(Br)cc(C)c2[O-])C1 ZINC000297391858 456207717 /nfs/dbraw/zinc/20/77/17/456207717.db2.gz KNDWWDIXUNHZMU-UHFFFAOYSA-N -1 3 328.250 3.322 10 10 EGCEHM C[C@@H](NCc1ccc(F)c(CN(C)C)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273461041 456231579 /nfs/dbraw/zinc/23/15/79/456231579.db2.gz CSXUYOFNLPFQQA-GFCCVEGCSA-N -1 3 347.390 3.352 10 10 EGCEHM Cc1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCO3)c([O-])c1O ZINC000375872199 458104358 /nfs/dbraw/zinc/10/43/58/458104358.db2.gz FAIYWCPTJVJUCK-AWEZNQCLSA-N -1 3 341.363 3.112 10 10 EGCEHM O=C(NCCc1ccccc1Br)c1cc([O-])cs1 ZINC000732280181 575254337 /nfs/dbraw/zinc/25/43/37/575254337.db2.gz BFTQNVWFWSXVRE-UHFFFAOYSA-N -1 3 326.215 3.189 10 10 EGCEHM CCN(Cc1cc(Br)ccc1[O-])C(=O)N[C@@H](C)C1CC1 ZINC000743123711 576802039 /nfs/dbraw/zinc/80/20/39/576802039.db2.gz CSCYNBSETUWNDN-JTQLQIEISA-N -1 3 341.249 3.485 10 10 EGCEHM CC(=O)c1cc(F)cc(CN2Cc3ccccc3NC(=O)[C@@H]2C)c1[O-] ZINC000857923052 1328626247 /nfs/dbraw/zinc/62/62/47/1328626247.db2.gz VJVPDYHXKPCUTF-NSHDSACASA-N -1 3 342.370 3.077 10 10 EGCEHM Cc1cc(C2(NCc3c([O-])ccc(Cl)c3F)CCOCC2)on1 ZINC000858326385 1328737500 /nfs/dbraw/zinc/73/75/00/1328737500.db2.gz MLBVPSTVIGEBEG-UHFFFAOYSA-N -1 3 340.782 3.277 10 10 EGCEHM CC(C)Oc1ccc(CNC(=O)NCc2c([O-])cccc2F)cc1 ZINC000914007287 1319211401 /nfs/dbraw/zinc/21/14/01/1319211401.db2.gz VPZVIGRQEKGHHY-UHFFFAOYSA-N -1 3 332.375 3.318 10 10 EGCEHM CCCCCn1cc(CNC(=O)NCc2c([O-])cccc2F)c(C)n1 ZINC000921739444 1322388534 /nfs/dbraw/zinc/38/85/34/1322388534.db2.gz SPMDWTHROYYTLN-UHFFFAOYSA-N -1 3 348.422 3.226 10 10 EGCEHM O=C(NCCOc1ccccc1Cl)NCc1c([O-])cccc1F ZINC001230732925 1376137099 /nfs/dbraw/zinc/13/70/99/1376137099.db2.gz TWJUOGDGZWEZNB-UHFFFAOYSA-N -1 3 338.766 3.063 10 10 EGCEHM CC(=O)c1cc(F)cc(CN2CCN(c3cccc(F)c3)CC2)c1[O-] ZINC001308011368 1384074148 /nfs/dbraw/zinc/07/41/48/1384074148.db2.gz ORYYVKRIAUJEMM-UHFFFAOYSA-N -1 3 346.377 3.195 10 10 EGCEHM COc1ccc(NC=C2C(C)=NN(c3nc4ccccc4[n-]3)C2=O)cc1 ZINC000012412693 211372469 /nfs/dbraw/zinc/37/24/69/211372469.db2.gz MKYPAGXMARIHSB-PTNGSMBKSA-N -1 3 347.378 3.290 10 10 EGCEHM Cn1cc([C@@H]2CCN(Cc3cc(Cl)cc(Cl)c3[O-])C2)cn1 ZINC000128459092 455057527 /nfs/dbraw/zinc/05/75/27/455057527.db2.gz XIBLUMFHBDATDS-SNVBAGLBSA-N -1 3 326.227 3.422 10 10 EGCEHM COc1ccc([C@@H](C)NCc2cc([N+](=O)[O-])ccc2[O-])c(OC)c1 ZINC000071792520 454217841 /nfs/dbraw/zinc/21/78/41/454217841.db2.gz KZSMEDIWALHQKD-LLVKDONJSA-N -1 3 332.356 3.168 10 10 EGCEHM COc1ccccc1C[C@@H]1CCCN1C(=O)c1ccc(C)c(O)c1[O-] ZINC000177677345 454890935 /nfs/dbraw/zinc/89/09/35/454890935.db2.gz JGBTWIVBCNWKJE-HNNXBMFYSA-N -1 3 341.407 3.262 10 10 EGCEHM COc1ccc([C@H]2C[C@@H](C)N(C(=O)c3cccc(O)c3[O-])C2)cc1 ZINC000193080346 455740519 /nfs/dbraw/zinc/74/05/19/455740519.db2.gz FGOQMFWPHINJBU-OCCSQVGLSA-N -1 3 327.380 3.125 10 10 EGCEHM [O-]c1cc(F)c(Cl)cc1CN1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000294591284 455820035 /nfs/dbraw/zinc/82/00/35/455820035.db2.gz HKQOEBFCQZCNNM-NXEZZACHSA-N -1 3 341.732 3.177 10 10 EGCEHM Cc1noc(C2CCN(Cc3cc(Cl)c(F)cc3[O-])CC2)n1 ZINC000295224536 455843097 /nfs/dbraw/zinc/84/30/97/455843097.db2.gz CCPYMGDEEBRINM-UHFFFAOYSA-N -1 3 325.771 3.256 10 10 EGCEHM CC(C)C(=O)NC[C@H]1CCCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000295495480 455850657 /nfs/dbraw/zinc/85/06/57/455850657.db2.gz XZQSXXCBEQZBDC-GFCCVEGCSA-N -1 3 342.842 3.169 10 10 EGCEHM CC(=O)c1cc(F)cc(CN2C[C@@H](c3ccsc3)[C@H](CO)C2)c1[O-] ZINC000188147912 456008678 /nfs/dbraw/zinc/00/86/78/456008678.db2.gz JATPJFLDYYCMFS-YOEHRIQHSA-N -1 3 349.427 3.003 10 10 EGCEHM O=C(c1cccc(O)c1[O-])N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000282548386 456548431 /nfs/dbraw/zinc/54/84/31/456548431.db2.gz SDDZFVJZBIGCFA-GFCCVEGCSA-N -1 3 329.318 3.293 10 10 EGCEHM Cc1ccc(C(=O)N2CCCC[C@H]2c2noc(C3CC3)n2)c([O-])c1O ZINC000367980634 458002721 /nfs/dbraw/zinc/00/27/21/458002721.db2.gz GEWWHNSOBOGRKG-ZDUSSCGKSA-N -1 3 343.383 3.034 10 10 EGCEHM Cc1ccc(C(=O)N[C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]23)c([O-])c1O ZINC000529673359 459833687 /nfs/dbraw/zinc/83/36/87/459833687.db2.gz CUGJVTUZLUHRIT-RRFJBIMHSA-N -1 3 329.783 3.128 10 10 EGCEHM Cc1cccc(C2(O)CCN(C(=O)c3cc([O-])cs3)CC2)c1C ZINC000743699854 576814918 /nfs/dbraw/zinc/81/49/18/576814918.db2.gz OEGWNXJJHDCGQG-UHFFFAOYSA-N -1 3 331.437 3.194 10 10 EGCEHM [O-]c1c(F)cc(F)cc1CN1Cc2cccnc2N2CCC[C@H]2C1 ZINC000895462044 1309349937 /nfs/dbraw/zinc/34/99/37/1309349937.db2.gz HMUQRPOHYZCOQH-HNNXBMFYSA-N -1 3 331.366 3.050 10 10 EGCEHM COc1c([O-])c(CN[C@@H]2c3ccccc3CC[C@@H]2F)ccc1[N+](=O)[O-] ZINC000895690693 1309467104 /nfs/dbraw/zinc/46/71/04/1309467104.db2.gz KKBRKQVPLVLFJC-GOEBONIOSA-N -1 3 346.358 3.424 10 10 EGCEHM Cc1cc(Br)c([O-])c(CN[C@H](c2ncccn2)C2CC2)c1 ZINC000922578061 1322562482 /nfs/dbraw/zinc/56/24/82/1322562482.db2.gz HGMPGYAISWTOSQ-AWEZNQCLSA-N -1 3 348.244 3.494 10 10 EGCEHM C[C@H](CCCc1cccnc1)NC(=O)NCc1c([O-])cccc1F ZINC000922831529 1322628369 /nfs/dbraw/zinc/62/83/69/1322628369.db2.gz JLESTMNEJSGJHM-CYBMUJFWSA-N -1 3 331.391 3.137 10 10 EGCEHM COc1ccc2c(c1)[C@@H](C(=O)NCc1c([O-])cccc1F)CCC2 ZINC000928706654 1328403848 /nfs/dbraw/zinc/40/38/48/1328403848.db2.gz UGNIPEXAJRWBCO-AWEZNQCLSA-N -1 3 329.371 3.276 10 10 EGCEHM COc1ccc(OCCCC(=O)NCc2c([O-])cccc2F)cc1 ZINC000928709923 1328405949 /nfs/dbraw/zinc/40/59/49/1328405949.db2.gz NZMQDXSRGXAROR-UHFFFAOYSA-N -1 3 333.359 3.015 10 10 EGCEHM COc1c([O-])c(CN2CCCC[C@H]2c2cccn2C)ccc1[N+](=O)[O-] ZINC000278209998 455787889 /nfs/dbraw/zinc/78/78/89/455787889.db2.gz KFFJSXCWXFPDLQ-HNNXBMFYSA-N -1 3 345.399 3.375 10 10 EGCEHM C[C@@H](NCc1cc(Cl)c(F)cc1[O-])C(=O)N1CCCC[C@H]1C ZINC000294410536 455814832 /nfs/dbraw/zinc/81/48/32/455814832.db2.gz WKKKFRINJJUXLL-GHMZBOCLSA-N -1 3 328.815 3.064 10 10 EGCEHM COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2cccc(O)c2[O-])c1 ZINC000368886540 458064619 /nfs/dbraw/zinc/06/46/19/458064619.db2.gz CUKJHHSUOQPWHK-HNNXBMFYSA-N -1 3 343.379 3.092 10 10 EGCEHM [O-]c1ccc(Cl)c(F)c1CNCc1ccnc(-n2ccnc2)c1 ZINC000377258555 458494192 /nfs/dbraw/zinc/49/41/92/458494192.db2.gz SIQIOTAJHHAHJS-UHFFFAOYSA-N -1 3 332.766 3.055 10 10 EGCEHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2ncc(Cl)s2)c1 ZINC000872117074 1296742846 /nfs/dbraw/zinc/74/28/46/1296742846.db2.gz YMQHUBBEETZTPZ-MRVPVSSYSA-N -1 3 326.805 3.140 10 10 EGCEHM CC(C)N1CCN(Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000708140224 1298237311 /nfs/dbraw/zinc/23/73/11/1298237311.db2.gz JLOXSBNHWBOSBY-UHFFFAOYSA-N -1 3 347.684 3.334 10 10 EGCEHM Cc1ccc2c(c1C)OC[C@H]2NC(=O)NCc1c([O-])cccc1F ZINC000916609348 1319684225 /nfs/dbraw/zinc/68/42/25/1319684225.db2.gz LWORUCIHSWHMJV-OAHLLOKOSA-N -1 3 330.359 3.081 10 10 EGCEHM CCC(CC)c1cc(CNC(=O)NCc2c([O-])cccc2F)on1 ZINC000920500874 1322185452 /nfs/dbraw/zinc/18/54/52/1322185452.db2.gz LMOABCLRMCGFRF-UHFFFAOYSA-N -1 3 335.379 3.422 10 10 EGCEHM CC[C@@H](C)Oc1cc(CNC(=O)NCc2c([O-])cccc2F)ccn1 ZINC000921824473 1322406168 /nfs/dbraw/zinc/40/61/68/1322406168.db2.gz HANGEUXNGCXYDN-GFCCVEGCSA-N -1 3 347.390 3.103 10 10 EGCEHM O=C(NCc1c([O-])cccc1F)NCC1(C(F)(F)F)CCCC1 ZINC000923468187 1322757289 /nfs/dbraw/zinc/75/72/89/1322757289.db2.gz KQXDWGCEQOEXGH-UHFFFAOYSA-N -1 3 334.313 3.453 10 10 EGCEHM O=C(NCc1c([O-])cccc1F)C1(Cc2ccccc2)CCOCC1 ZINC000928704996 1328403666 /nfs/dbraw/zinc/40/36/66/1328403666.db2.gz BVYGUGQTAYHONX-UHFFFAOYSA-N -1 3 343.398 3.187 10 10 EGCEHM O=C(NCc1c([O-])cccc1F)c1cccc([C@@H]2CCCOC2)c1 ZINC000928705492 1328403991 /nfs/dbraw/zinc/40/39/91/1328403991.db2.gz KOHADZKHNWUGRG-OAHLLOKOSA-N -1 3 329.371 3.355 10 10 EGCEHM CC(=O)c1cc(C(=O)NCc2c([O-])cccc2F)ccc1OC(C)C ZINC000928707023 1328404424 /nfs/dbraw/zinc/40/44/24/1328404424.db2.gz ZUFNAJBHWPMCMA-UHFFFAOYSA-N -1 3 345.370 3.451 10 10 EGCEHM O=C(NCc1c([O-])cccc1F)c1cccc(OC[C@H]2CCCO2)c1 ZINC000928709287 1328405135 /nfs/dbraw/zinc/40/51/35/1328405135.db2.gz HXENVBOARWPDFQ-OAHLLOKOSA-N -1 3 345.370 3.019 10 10 EGCEHM CC(C)(C)C(=O)Nc1ccccc1C(=O)NCc1c([O-])cccc1F ZINC000928710283 1328405765 /nfs/dbraw/zinc/40/57/65/1328405765.db2.gz AFMKCHNIUOUKLS-UHFFFAOYSA-N -1 3 344.386 3.446 10 10 EGCEHM Cc1ccccc1C1(C(=O)NCc2c([O-])cccc2F)CCOCC1 ZINC000928712565 1328407615 /nfs/dbraw/zinc/40/76/15/1328407615.db2.gz SXLXTKUORDMTQR-UHFFFAOYSA-N -1 3 343.398 3.204 10 10 EGCEHM Cc1cnc([C@H](NC(=O)NCc2c([O-])cccc2F)C2CC2)s1 ZINC001119609458 1371374584 /nfs/dbraw/zinc/37/45/84/1371374584.db2.gz POVRALMKESIBJK-CQSZACIVSA-N -1 3 335.404 3.247 10 10 EGCEHM CC[C@@](O)(C(=O)NCc1c([O-])cccc1F)c1cccc(Cl)c1 ZINC001156171033 1380535415 /nfs/dbraw/zinc/53/54/15/1380535415.db2.gz WKFVWSMKPVJTGW-KRWDZBQOSA-N -1 3 337.778 3.099 10 10 EGCEHM COC(=O)Cc1[n-]n(-c2ccccc2)c(=O)c1C(C)=Nc1ccccc1 ZINC000101833628 219166158 /nfs/dbraw/zinc/16/61/58/219166158.db2.gz LINRAJUOEYMHRS-XMHGGMMESA-N -1 3 349.390 3.338 10 10 EGCEHM [O-]c1cc(F)c(Cl)cc1CN1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000294591295 455820344 /nfs/dbraw/zinc/82/03/44/455820344.db2.gz HKQOEBFCQZCNNM-VHSXEESVSA-N -1 3 341.732 3.177 10 10 EGCEHM COc1c([O-])c(CN2CC[C@H](CC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000278431884 455836362 /nfs/dbraw/zinc/83/63/62/455836362.db2.gz UBOBLUCPYYNYIN-SECBINFHSA-N -1 3 334.294 3.083 10 10 EGCEHM CCCOc1ccc(CN2CCn3c(C(C)C)nnc3[C@H]2C)c([O-])c1 ZINC000188466477 456067993 /nfs/dbraw/zinc/06/79/93/456067993.db2.gz CAGOFGCXBLRIOT-CQSZACIVSA-N -1 3 344.459 3.473 10 10 EGCEHM C[C@H](OC(=O)c1cc([O-])cs1)C(=O)N1c2ccccc2CC[C@@H]1C ZINC000732352663 575261431 /nfs/dbraw/zinc/26/14/31/575261431.db2.gz AXWAKDXALJAMDC-RYUDHWBXSA-N -1 3 345.420 3.367 10 10 EGCEHM CC(=O)c1cc(F)cc(CN2CC[C@H](C(F)(F)F)O[C@@H](C)C2)c1[O-] ZINC000880056810 1300905661 /nfs/dbraw/zinc/90/56/61/1300905661.db2.gz KVRJXUKUMFLEAL-LKFCYVNXSA-N -1 3 349.324 3.276 10 10 EGCEHM CC[C@@H](N[C@@H]1c2ccccc2CN(C)C1=O)c1ccc(F)cc1[O-] ZINC000857877545 1328612802 /nfs/dbraw/zinc/61/28/02/1328612802.db2.gz OUEZNSJOKDMCFB-SJLPKXTDSA-N -1 3 328.387 3.285 10 10 EGCEHM CC[C@H](N[C@H]1c2ccccc2CN(C)C1=O)c1ccc(F)cc1[O-] ZINC000857877548 1328612847 /nfs/dbraw/zinc/61/28/47/1328612847.db2.gz OUEZNSJOKDMCFB-WMZOPIPTSA-N -1 3 328.387 3.285 10 10 EGCEHM COC(=O)CN(CCCc1cccnc1)Cc1cc(Cl)ccc1[O-] ZINC000929977496 1328755431 /nfs/dbraw/zinc/75/54/31/1328755431.db2.gz VIXZCBBKDIVXBV-UHFFFAOYSA-N -1 3 348.830 3.048 10 10 EGCEHM C[C@H](NC(=O)NCc1c([O-])cccc1F)c1ccc(N(C)C)cc1 ZINC000922053575 1322445794 /nfs/dbraw/zinc/44/57/94/1322445794.db2.gz FMCUREFITKOYRO-LBPRGKRZSA-N -1 3 331.391 3.158 10 10 EGCEHM COc1ccc(C(C)(C)C(=O)NCc2c([O-])cccc2F)cc1OC ZINC000928706772 1328403491 /nfs/dbraw/zinc/40/34/91/1328403491.db2.gz ZTDWGDHVAWGMRD-UHFFFAOYSA-N -1 3 347.386 3.143 10 10 EGCEHM COc1ccc(C[C@H](C)C(=O)NCc2c([O-])cccc2F)cc1OC ZINC000928707152 1328404658 /nfs/dbraw/zinc/40/46/58/1328404658.db2.gz BHGKLVAXHNAQKL-LBPRGKRZSA-N -1 3 347.386 3.044 10 10 EGCEHM COc1ccc2c(c1)C[C@H](C)N(C(=O)c1cccc(O)c1[O-])[C@H]2C ZINC001138144691 1377684698 /nfs/dbraw/zinc/68/46/98/1377684698.db2.gz GHKNHJDXAKQNOF-RYUDHWBXSA-N -1 3 327.380 3.254 10 10 EGCEHM O=C(NCc1c([O-])cccc1F)C1(c2ccncc2)CC2(CCC2)C1 ZINC001178416613 1386210895 /nfs/dbraw/zinc/21/08/95/1386210895.db2.gz KDQMTVIEJKMSNS-UHFFFAOYSA-N -1 3 340.398 3.445 10 10 EGCEHM COc1ccc([C@H](C)NCc2cc([N+](=O)[O-])ccc2[O-])c(OC)c1 ZINC000071792519 454218390 /nfs/dbraw/zinc/21/83/90/454218390.db2.gz KZSMEDIWALHQKD-NSHDSACASA-N -1 3 332.356 3.168 10 10 EGCEHM CO[C@H](C)c1noc(CN(C)Cc2c([O-])ccc3ccccc32)n1 ZINC000267113303 455502482 /nfs/dbraw/zinc/50/24/82/455502482.db2.gz RTYQTQUFVGZGHG-GFCCVEGCSA-N -1 3 327.384 3.268 10 10 EGCEHM COc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3ccc(C)c(O)c3[O-])C2)cc1 ZINC000182479186 455522045 /nfs/dbraw/zinc/52/20/45/455522045.db2.gz XKTCBQOFFMLNHB-UKRRQHHQSA-N -1 3 341.407 3.433 10 10 EGCEHM Cc1ccc(C)c([C@@H]2CN(C(=O)c3cccc(O)c3[O-])[C@H](C)CO2)c1 ZINC000185742894 455612059 /nfs/dbraw/zinc/61/20/59/455612059.db2.gz NWOJCPZIQQJOJY-KDOFPFPSSA-N -1 3 341.407 3.317 10 10 EGCEHM C[S@](=O)C[C@H](NCc1cc(Cl)c(F)cc1[O-])c1ccccc1 ZINC000293511316 455788907 /nfs/dbraw/zinc/78/89/07/455788907.db2.gz CDPUPSYXVWXWQE-NYHFZMIOSA-N -1 3 341.835 3.394 10 10 EGCEHM COc1c([O-])c(CN2CC[C@H](C(F)(F)F)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000294980162 455834871 /nfs/dbraw/zinc/83/48/71/455834871.db2.gz JSLPJXZKWNXJME-ONGXEEELSA-N -1 3 348.321 3.472 10 10 EGCEHM NC(=O)c1ccc(CN(Cc2cc(Cl)c(F)cc2[O-])C2CC2)cc1 ZINC000295436105 455848762 /nfs/dbraw/zinc/84/87/62/455848762.db2.gz UESWLULMYTWERN-UHFFFAOYSA-N -1 3 348.805 3.448 10 10 EGCEHM CCCOc1ccc(CN2CCn3c(C(C)C)nnc3[C@@H]2C)c([O-])c1 ZINC000188466452 456068150 /nfs/dbraw/zinc/06/81/50/456068150.db2.gz CAGOFGCXBLRIOT-AWEZNQCLSA-N -1 3 344.459 3.473 10 10 EGCEHM CC(=O)c1cc(F)cc(CN2CC[C@H](Cc3ccncc3)C2)c1[O-] ZINC000375154285 457813587 /nfs/dbraw/zinc/81/35/87/457813587.db2.gz SNDIBJDFEXAYOY-OAHLLOKOSA-N -1 3 328.387 3.194 10 10 EGCEHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000530195992 458713697 /nfs/dbraw/zinc/71/36/97/458713697.db2.gz IEYMFONUWMLGMU-UPJWGTAASA-N -1 3 348.830 3.246 10 10 EGCEHM CC(C)c1nocc1C(=O)NCc1cc(Br)ccc1[O-] ZINC000529386264 459828233 /nfs/dbraw/zinc/82/82/33/459828233.db2.gz IANVLVHPMVVJCK-UHFFFAOYSA-N -1 3 339.189 3.196 10 10 EGCEHM CC(C)OC(=O)[C@@H]1CCCN1Cc1cc(Br)ccc1[O-] ZINC000093535728 1292924493 /nfs/dbraw/zinc/92/44/93/1292924493.db2.gz ZMNKCFUSWQGQBG-ZDUSSCGKSA-N -1 3 342.233 3.071 10 10 EGCEHM C[C@@]12COC[C@@H]1CN(Cc1cc(Cl)cc(Br)c1[O-])C2 ZINC000895275746 1309267260 /nfs/dbraw/zinc/26/72/60/1309267260.db2.gz OXRCCEBSYNDHST-IINYFYTJSA-N -1 3 346.652 3.276 10 10 EGCEHM C[C@H]1CN(Cc2cc(F)cc(F)c2[O-])CC[C@@H](C(F)(F)F)O1 ZINC000895477019 1309359113 /nfs/dbraw/zinc/35/91/13/1309359113.db2.gz PGUMFKYXRBGOBY-UFBFGSQYSA-N -1 3 325.277 3.212 10 10 EGCEHM CC[C@H](N[C@@H](CO)c1ccnn1C)c1cc(Cl)cc(Cl)c1[O-] ZINC000858435400 1328761520 /nfs/dbraw/zinc/76/15/20/1328761520.db2.gz HJOCPSFPLXJKPR-STQMWFEESA-N -1 3 344.242 3.207 10 10 EGCEHM O=C(NCc1c([O-])cccc1F)c1cccc(OC[C@@H]2CCCO2)c1 ZINC000928709285 1328404438 /nfs/dbraw/zinc/40/44/38/1328404438.db2.gz HXENVBOARWPDFQ-HNNXBMFYSA-N -1 3 345.370 3.019 10 10 EGCEHM Cc1cc(C2(NCc3cc(Cl)c(F)cc3[O-])CCOCC2)on1 ZINC000862542514 1329494788 /nfs/dbraw/zinc/49/47/88/1329494788.db2.gz QZJTWZDWQDRQDI-UHFFFAOYSA-N -1 3 340.782 3.277 10 10 EGCEHM [O-]c1cccc(F)c1CNc1ccc2nnc(-c3ccsc3)n2n1 ZINC001164185622 1383163988 /nfs/dbraw/zinc/16/39/88/1383163988.db2.gz OGLRCJVDIVYAKN-UHFFFAOYSA-N -1 3 341.371 3.310 10 10 EGCEHM O=C(NCc1c([O-])cccc1F)c1ncc(Cc2ccccc2)o1 ZINC001178412879 1386209915 /nfs/dbraw/zinc/20/99/15/1386209915.db2.gz JDMGRRKMLLFKHY-UHFFFAOYSA-N -1 3 326.327 3.040 10 10 EGCEHM O=C(Oc1ccc([O-])c2c1C(=O)c1ccccc1C2=O)c1ccccc1 ZINC000003897246 210087967 /nfs/dbraw/zinc/08/79/67/210087967.db2.gz CKTKNUCNKAXLJF-UHFFFAOYSA-N -1 3 344.322 3.387 10 10 biogenic EGCEHM [O-]c1cc(F)c(Cl)cc1CN1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000295406950 455848083 /nfs/dbraw/zinc/84/80/83/455848083.db2.gz RGMAVKFJCVJIJC-PWSUYJOCSA-N -1 3 327.705 3.072 10 10 EGCEHM O=C(C1CCN(Cc2cccc(Cl)c2[O-])CC1)N1CCCCC1 ZINC000179590769 455060711 /nfs/dbraw/zinc/06/07/11/455060711.db2.gz UMKGHZWVNWLPDM-UHFFFAOYSA-N -1 3 336.863 3.270 10 10 EGCEHM CC(=O)c1cc(F)cc(CN2CCn3c(C(C)C)nnc3[C@@H]2C)c1[O-] ZINC000189511342 455210989 /nfs/dbraw/zinc/21/09/89/455210989.db2.gz HHVKWFPIVKSNNW-NSHDSACASA-N -1 3 346.406 3.026 10 10 EGCEHM Cc1ccc(C(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)c([O-])c1O ZINC000181894886 455396111 /nfs/dbraw/zinc/39/61/11/455396111.db2.gz MVTFVPRKKIHDLJ-UHFFFAOYSA-N -1 3 340.354 3.225 10 10 EGCEHM [O-]c1ccc(Cl)c(F)c1CN1CCC(Nc2cccnn2)CC1 ZINC000191334187 455477971 /nfs/dbraw/zinc/47/79/71/455477971.db2.gz AITOGKQEASENCD-UHFFFAOYSA-N -1 3 336.798 3.051 10 10 EGCEHM CCN(Cc1cc(Br)ccc1[O-])C(=O)CCSC ZINC000175843224 455504588 /nfs/dbraw/zinc/50/45/88/455504588.db2.gz MLAOMRDXVILONR-UHFFFAOYSA-N -1 3 332.263 3.256 10 10 EGCEHM COc1ccc([C@H]2C[C@H](C)N(C(=O)c3ccc(C)c(O)c3[O-])C2)cc1 ZINC000182479169 455522391 /nfs/dbraw/zinc/52/23/91/455522391.db2.gz XKTCBQOFFMLNHB-ZFWWWQNUSA-N -1 3 341.407 3.433 10 10 EGCEHM Cc1ccc(C(=O)N2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)c([O-])c1O ZINC000182505445 455528055 /nfs/dbraw/zinc/52/80/55/455528055.db2.gz OWNVDRBCPZFEOG-WBMJQRKESA-N -1 3 345.370 3.148 10 10 EGCEHM Cc1ccc(C(=O)N2CCC[C@@]3(C2)OCc2ccccc23)c([O-])c1O ZINC000375404685 457916607 /nfs/dbraw/zinc/91/66/07/457916607.db2.gz PYARIVKMMHERNN-FQEVSTJZSA-N -1 3 339.391 3.068 10 10 EGCEHM [O-]c1ccc(Br)cc1CN1CCC[C@@H](c2ccncn2)C1 ZINC000371411993 457916840 /nfs/dbraw/zinc/91/68/40/457916840.db2.gz RHGOZRAMFNDLGP-GFCCVEGCSA-N -1 3 348.244 3.324 10 10 EGCEHM COC(=O)CN(CCc1ccccc1)Cc1cc(Cl)ccc1[O-] ZINC000731845058 575211914 /nfs/dbraw/zinc/21/19/14/575211914.db2.gz PVGQGEJVDREBDP-UHFFFAOYSA-N -1 3 333.815 3.263 10 10 EGCEHM COc1ccc(OC)c(CN(C(=O)c2cc([O-])cs2)C2CC2)c1 ZINC000731868660 575216699 /nfs/dbraw/zinc/21/66/99/575216699.db2.gz NYZQYISEMPFBGG-UHFFFAOYSA-N -1 3 333.409 3.276 10 10 EGCEHM Cc1cc(F)ccc1N1CCC[C@H](OC(=O)c2cc([O-])cs2)C1=O ZINC000735349336 575647931 /nfs/dbraw/zinc/64/79/31/575647931.db2.gz BDRVJAAMSYEYGD-AWEZNQCLSA-N -1 3 349.383 3.254 10 10 EGCEHM C[C@@H](N[C@@H]1c2ccccc2CN(C)C1=O)c1cc(F)cc(F)c1[O-] ZINC000857875106 1328612151 /nfs/dbraw/zinc/61/21/51/1328612151.db2.gz GIKAJVKHPDHNIG-QLJPJBMISA-N -1 3 332.350 3.034 10 10 EGCEHM CC[C@@H](N[C@@H](CO)c1ccnn1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000858434757 1328761506 /nfs/dbraw/zinc/76/15/06/1328761506.db2.gz OREIUOAOVRDTQH-NEPJUHHUSA-N -1 3 344.242 3.207 10 10 EGCEHM C[C@H](NCc1c(C(F)(F)F)cnn1C)c1cc(F)cc(F)c1[O-] ZINC000858452279 1328766408 /nfs/dbraw/zinc/76/64/08/1328766408.db2.gz IUQOXWWAJHJEBM-ZETCQYMHSA-N -1 3 335.276 3.274 10 10 EGCEHM COc1ccc2c(c1)[C@H](C(=O)NCc1c([O-])cccc1F)CCC2 ZINC000928706655 1328403567 /nfs/dbraw/zinc/40/35/67/1328403567.db2.gz UGNIPEXAJRWBCO-CQSZACIVSA-N -1 3 329.371 3.276 10 10 EGCEHM O=C(Nc1cccnc1OCc1ccccc1)c1cccc(O)c1[O-] ZINC001141853821 1378385663 /nfs/dbraw/zinc/38/56/63/1378385663.db2.gz BUVNGENQKVMCSG-UHFFFAOYSA-N -1 3 336.347 3.324 10 10 EGCEHM CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1c([O-])cccc1F ZINC001156178300 1380537026 /nfs/dbraw/zinc/53/70/26/1380537026.db2.gz ZINFAMJZHWWZJZ-UHFFFAOYSA-N -1 3 336.344 3.091 10 10 EGCEHM O=C(NCc1c(O)cccc1F)c1c([O-])cnc2ccc(Cl)cc21 ZINC001306899264 1383916489 /nfs/dbraw/zinc/91/64/89/1383916489.db2.gz XLMFHVNDJIWJDX-UHFFFAOYSA-N -1 3 346.745 3.369 10 10 EGCEHM O=C(Cc1coc2c1ccc(F)c2F)NCc1c([O-])cccc1F ZINC001178413265 1386210489 /nfs/dbraw/zinc/21/04/89/1386210489.db2.gz PNNLGEMGDKBABL-UHFFFAOYSA-N -1 3 335.281 3.415 10 10 EGCEHM CC(C)=CCCc1c([O-])c(O)c2c(c1O)C(=O)c1ccccc1C2=O ZINC000014491139 453537394 /nfs/dbraw/zinc/53/73/94/453537394.db2.gz RPCORGWURISLFX-UHFFFAOYSA-N -1 3 338.359 3.478 10 10 EGCEHM [O-]c1c(Cl)cccc1CN1CCCN(Cc2cscn2)CC1 ZINC000180031180 455119317 /nfs/dbraw/zinc/11/93/17/455119317.db2.gz BRNXMOHLMMTIQY-UHFFFAOYSA-N -1 3 337.876 3.210 10 10 EGCEHM COc1cc(Cl)cc(CN2CCc3c(nc(C(C)C)n3C)C2)c1[O-] ZINC000184691237 455429341 /nfs/dbraw/zinc/42/93/41/455429341.db2.gz PGDMGOXRPGTJQP-UHFFFAOYSA-N -1 3 349.862 3.469 10 10 EGCEHM CC[C@@H](NCc1cccc(N2CCOCC2)n1)c1ccc(F)cc1[O-] ZINC000287355651 456067572 /nfs/dbraw/zinc/06/75/72/456067572.db2.gz HAYFPXAKLQEWRH-QGZVFWFLSA-N -1 3 345.418 3.004 10 10 EGCEHM O=C(c1cccc(O)c1[O-])N1CC=C(c2ccc(Cl)nc2)CC1 ZINC000366151778 457795795 /nfs/dbraw/zinc/79/57/95/457795795.db2.gz NLLLPGTWFCSIRO-UHFFFAOYSA-N -1 3 330.771 3.076 10 10 EGCEHM Cc1cc(C(=O)NCc2cc(Cl)ccc2[O-])c(C)n1[C@H]1CCOC1 ZINC000529512485 459829911 /nfs/dbraw/zinc/82/99/11/459829911.db2.gz OPWAXMBJFRKISJ-HNNXBMFYSA-N -1 3 348.830 3.355 10 10 EGCEHM Cc1ccc(C(=O)C2CCN(C(=O)c3cc([O-])cs3)CC2)cc1 ZINC000731869742 575213853 /nfs/dbraw/zinc/21/38/53/575213853.db2.gz DOKWVXLONLPQOI-UHFFFAOYSA-N -1 3 329.421 3.497 10 10 EGCEHM O=C(Nc1cccc(-c2n[nH]c(C3CC3)n2)c1)c1cc([O-])cs1 ZINC000732282518 575254646 /nfs/dbraw/zinc/25/46/46/575254646.db2.gz IBUKTRVJVCCKPP-UHFFFAOYSA-N -1 3 326.381 3.369 10 10 EGCEHM C[C@H](OC(=O)c1cc([O-])cs1)C(=O)N1CCSc2ccccc21 ZINC000732353958 575261747 /nfs/dbraw/zinc/26/17/47/575261747.db2.gz XFZGCPRJRRYWKX-JTQLQIEISA-N -1 3 349.433 3.138 10 10 EGCEHM CC(=O)c1cc(F)cc(CN2CC[C@@H](C(F)(F)F)O[C@H](C)C2)c1[O-] ZINC000880056811 1300904622 /nfs/dbraw/zinc/90/46/22/1300904622.db2.gz KVRJXUKUMFLEAL-OTYXRUKQSA-N -1 3 349.324 3.276 10 10 EGCEHM [O-]c1c(Cl)cc(Cl)cc1CN1C[C@@H](O)CC2(CCOCC2)C1 ZINC000895721812 1309489567 /nfs/dbraw/zinc/48/95/67/1309489567.db2.gz KFMREKANKIGFGH-ZDUSSCGKSA-N -1 3 346.254 3.062 10 10 EGCEHM O=C(c1cccc(O)c1[O-])N1CCCSC[C@@H]1c1ccccc1 ZINC000921643288 1322369074 /nfs/dbraw/zinc/36/90/74/1322369074.db2.gz MDTYVXANBUXACC-OAHLLOKOSA-N -1 3 329.421 3.418 10 10 EGCEHM Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)NCc1c([O-])cccc1F ZINC000922009039 1322439049 /nfs/dbraw/zinc/43/90/49/1322439049.db2.gz MTYBGPKUIMWAKP-LLVKDONJSA-N -1 3 348.422 3.352 10 10 EGCEHM COc1ccc([C@H](C)NC(=O)NCc2c([O-])cccc2F)cc1C ZINC000926268610 1325498426 /nfs/dbraw/zinc/49/84/26/1325498426.db2.gz QCDGDXPWZSVYEY-LBPRGKRZSA-N -1 3 332.375 3.409 10 10 EGCEHM Cc1ccc(-n2cc(NC(=O)c3ccc(C)c(O)c3[O-])cn2)c(C)c1 ZINC001138285273 1377697456 /nfs/dbraw/zinc/69/74/56/1377697456.db2.gz AYZIMOJCZXEMFV-UHFFFAOYSA-N -1 3 337.379 3.461 10 10 EGCEHM Cc1ccc(C(=O)Nc2cnn([C@H](C)c3ccccc3)c2)c([O-])c1O ZINC001142860517 1378497612 /nfs/dbraw/zinc/49/76/12/1378497612.db2.gz FPPYYVNIVJMCMC-CYBMUJFWSA-N -1 3 337.379 3.464 10 10 EGCEHM O=C(NCc1c([O-])cccc1F)[C@H]1COc2ccc(Cl)cc2C1 ZINC001156164126 1380534434 /nfs/dbraw/zinc/53/44/34/1380534434.db2.gz NSSXOEQJGCPJKT-LLVKDONJSA-N -1 3 335.762 3.052 10 10 EGCEHM Cc1ccc(C(=O)Nc2cccc(N=S(C)(C)=O)c2)c([O-])c1O ZINC001299206466 1383486032 /nfs/dbraw/zinc/48/60/32/1383486032.db2.gz OIDVOZASMXQBNI-UHFFFAOYSA-N -1 3 334.397 3.018 10 10 EGCEHM Cc1ccc(-c2cc(C(=O)NCc3c([O-])cccc3F)[nH]n2)cc1C ZINC001178412848 1386209892 /nfs/dbraw/zinc/20/98/92/1386209892.db2.gz IFCIHVOMGDXHPV-UHFFFAOYSA-N -1 3 339.370 3.468 10 10 EGCEHM CCOCc1nc([C@H](C)NCc2cc(Cl)cc(C)c2[O-])no1 ZINC000290903268 456462680 /nfs/dbraw/zinc/46/26/80/456462680.db2.gz MGPYCNMUFBMNFX-JTQLQIEISA-N -1 3 325.796 3.124 10 10 EGCEHM COc1ccc(OC)c([C@@H]2CC(c3ccccc3[O-])=NN2C(C)=O)c1 ZINC000253431203 455847768 /nfs/dbraw/zinc/84/77/68/455847768.db2.gz ZNUQYQAEMZEWAZ-KRWDZBQOSA-N -1 3 340.379 3.107 10 10 EGCEHM COc1ccc([C@H](CO)N(C)Cc2cc(Cl)c(F)cc2[O-])cc1 ZINC000295415866 455848571 /nfs/dbraw/zinc/84/85/71/455848571.db2.gz RYCIZQWDOHWNKS-INIZCTEOSA-N -1 3 339.794 3.359 10 10 EGCEHM Cc1noc([C@H]2CCCN(Cc3cc(Cl)c(F)cc3[O-])C2)n1 ZINC000295462294 455850213 /nfs/dbraw/zinc/85/02/13/455850213.db2.gz WACQEZBIRQNHKZ-JTQLQIEISA-N -1 3 325.771 3.256 10 10 EGCEHM Nc1ccc(CC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)cc1 ZINC000063129955 1292000911 /nfs/dbraw/zinc/00/09/11/1292000911.db2.gz UWDXUPYCZGQDLJ-UHFFFAOYSA-N -1 3 345.251 3.097 10 10 EGCEHM O=C(Nc1cccc(OCC(F)(F)F)c1)c1cccc(O)c1[O-] ZINC000188298750 1295449763 /nfs/dbraw/zinc/44/97/63/1295449763.db2.gz LGJCOCSHEOJVHR-UHFFFAOYSA-N -1 3 327.258 3.291 10 10 EGCEHM CC[C@H](N[C@H](CO)c1ccnn1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000858434758 1328761877 /nfs/dbraw/zinc/76/18/77/1328761877.db2.gz OREIUOAOVRDTQH-NWDGAFQWSA-N -1 3 344.242 3.207 10 10 EGCEHM CC[C@H](C)Oc1cc(CNC(=O)NCc2c([O-])cccc2F)ccn1 ZINC000921824475 1322406185 /nfs/dbraw/zinc/40/61/85/1322406185.db2.gz HANGEUXNGCXYDN-LBPRGKRZSA-N -1 3 347.390 3.103 10 10 EGCEHM O=C(NCc1c([O-])cccc1F)N[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000921993605 1322436218 /nfs/dbraw/zinc/43/62/18/1322436218.db2.gz DWGSEBUUFJQTGS-KDOFPFPSSA-N -1 3 344.386 3.251 10 10 EGCEHM Cc1cc([O-])c(CNCc2cn(C)nc2Br)c(Cl)c1 ZINC000922467864 1322535040 /nfs/dbraw/zinc/53/50/40/1322535040.db2.gz GQXJTLBHSCICFM-UHFFFAOYSA-N -1 3 344.640 3.140 10 10 EGCEHM CCn1ncc(NC(=O)NCc2c([O-])cccc2F)c1C(F)(F)F ZINC000931263115 1329081610 /nfs/dbraw/zinc/08/16/10/1329081610.db2.gz MCIQWXUJFMKAEY-UHFFFAOYSA-N -1 3 346.284 3.088 10 10 EGCEHM CC1(C)C[C@H](C(=O)NCc2c([O-])cccc2F)c2ccccc2O1 ZINC000928706992 1328404744 /nfs/dbraw/zinc/40/47/44/1328404744.db2.gz ZITUNZAQYYPGMF-ZDUSSCGKSA-N -1 3 329.371 3.492 10 10 EGCEHM O=C(NCc1c([O-])cccc1F)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000928710448 1328405862 /nfs/dbraw/zinc/40/58/62/1328405862.db2.gz SLZXUHWFPRPAJL-UHFFFAOYSA-N -1 3 344.342 3.178 10 10 EGCEHM C[C@@]1(C2CC2)CN(Cc2c([O-])cccc2Br)CCO1 ZINC000862409383 1329483952 /nfs/dbraw/zinc/48/39/52/1329483952.db2.gz SUHFJPDXQGBKTM-HNNXBMFYSA-N -1 3 326.234 3.156 10 10 EGCEHM O=C(NCc1c([O-])cccc1F)c1ccc(Br)s1 ZINC001178410870 1386209023 /nfs/dbraw/zinc/20/90/23/1386209023.db2.gz WQUOXICUSDTEFD-UHFFFAOYSA-N -1 3 330.178 3.285 10 10 EGCEHM Cc1c(C(=O)NCc2c([O-])cccc2F)cnn1-c1ccc(F)cc1 ZINC001178410538 1386209189 /nfs/dbraw/zinc/20/91/89/1386209189.db2.gz RTCQZSFMCIESHV-UHFFFAOYSA-N -1 3 343.333 3.095 10 10 EGCEHM CN(CC(=O)NC(C)(C)C)Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000054441809 214238861 /nfs/dbraw/zinc/23/88/61/214238861.db2.gz WBOGCAWPEBCFAM-UHFFFAOYSA-N -1 3 344.455 3.364 10 10 EGCEHM CN(Cc1cn(C)nc1C(F)(F)F)Cc1cccc(Cl)c1[O-] ZINC000180771215 455242522 /nfs/dbraw/zinc/24/25/22/455242522.db2.gz XZZZBDHYDYJKDA-UHFFFAOYSA-N -1 3 333.741 3.430 10 10 EGCEHM CC(=O)c1cc(F)cc(CN2CCc3c(nc(C(C)C)n3C)C2)c1[O-] ZINC000175655853 455478373 /nfs/dbraw/zinc/47/83/73/455478373.db2.gz YWNMIUPMZNYUDC-UHFFFAOYSA-N -1 3 345.418 3.149 10 10 EGCEHM [O-]c1cc(F)c(Cl)cc1CN1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000294591290 455820808 /nfs/dbraw/zinc/82/08/08/455820808.db2.gz HKQOEBFCQZCNNM-UWVGGRQHSA-N -1 3 341.732 3.177 10 10 EGCEHM Cc1cc(Cl)cc(CN2C[C@H](C)OC3(CCOCC3)C2)c1[O-] ZINC000280527278 455989529 /nfs/dbraw/zinc/98/95/29/455989529.db2.gz RLCLSRLDPBFNSC-ZDUSSCGKSA-N -1 3 325.836 3.124 10 10 EGCEHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1CCC1=CCCC1 ZINC000277167822 456704925 /nfs/dbraw/zinc/70/49/25/456704925.db2.gz BPYGVQKRRUGUQA-UHFFFAOYSA-N -1 3 334.803 3.310 10 10 EGCEHM CC[C@H]1CN(Cc2cc(Cl)cc(C)c2[O-])C[C@@]2(CCOC2)O1 ZINC000373484795 458506668 /nfs/dbraw/zinc/50/66/68/458506668.db2.gz YDOYLCVEKJNDPN-DOTOQJQBSA-N -1 3 325.836 3.124 10 10 EGCEHM Cc1ccc(C(=O)N[C@@H]2[C@H]3Cc4c(cccc4Cl)[C@@H]23)c([O-])c1O ZINC000530047126 458671580 /nfs/dbraw/zinc/67/15/80/458671580.db2.gz BAXSWGLNDDSUMV-NWANDNLSSA-N -1 3 329.783 3.128 10 10 EGCEHM [O-]c1ccc2oc3c(c2c1CN1CCO[C@H](C(F)F)C1)CCCC3 ZINC000193439058 1295868603 /nfs/dbraw/zinc/86/86/03/1295868603.db2.gz GGDAWMSGWUPEPW-INIZCTEOSA-N -1 3 337.366 3.483 10 10 EGCEHM [O-]c1c(F)cc(Br)cc1CN1CCC12CCOCC2 ZINC000894570660 1308959705 /nfs/dbraw/zinc/95/97/05/1308959705.db2.gz DPUUWSROJAAKOS-UHFFFAOYSA-N -1 3 330.197 3.049 10 10 EGCEHM CN(Cc1cc(F)cc(F)c1[O-])C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000895477431 1309357714 /nfs/dbraw/zinc/35/77/14/1309357714.db2.gz UQJJNJYAQVHHHM-OAHLLOKOSA-N -1 3 348.349 3.128 10 10 EGCEHM O=C(NCc1c([O-])cccc1F)Nc1ccccc1O[C@@H]1CCOC1 ZINC000930373861 1328844459 /nfs/dbraw/zinc/84/44/59/1328844459.db2.gz NYZRGRNFOJTGFH-GFCCVEGCSA-N -1 3 346.358 3.021 10 10 EGCEHM CC(C)[C@@H](CNC(=O)NCc1c([O-])cccc1F)c1cccnc1 ZINC000921366516 1322301951 /nfs/dbraw/zinc/30/19/51/1322301951.db2.gz NZWNRVLLMXDJIK-CQSZACIVSA-N -1 3 331.391 3.165 10 10 EGCEHM C[C@H](NC(=O)NCc1c([O-])cccc1F)c1ccc2c(c1)CCCO2 ZINC000923358622 1322739940 /nfs/dbraw/zinc/73/99/40/1322739940.db2.gz IZEKOXKPXRWINP-LBPRGKRZSA-N -1 3 344.386 3.417 10 10 EGCEHM CC[C@@H](Nc1cccnc1Cl)C(=O)NCc1c([O-])cccc1F ZINC000928711253 1328406189 /nfs/dbraw/zinc/40/61/89/1328406189.db2.gz MHUVRNOVGVJDSG-GFCCVEGCSA-N -1 3 337.782 3.087 10 10 EGCEHM Cc1cnc([C@@H](NC(=O)NCc2c([O-])cccc2F)C2CC2)s1 ZINC001119609457 1371374895 /nfs/dbraw/zinc/37/48/95/1371374895.db2.gz POVRALMKESIBJK-AWEZNQCLSA-N -1 3 335.404 3.247 10 10 EGCEHM Cc1ccc(Cc2nnc(NC(=O)c3cccc(O)c3[O-])s2)cc1 ZINC001136741064 1377418984 /nfs/dbraw/zinc/41/89/84/1377418984.db2.gz OCRVBOUJBKVDPE-UHFFFAOYSA-N -1 3 341.392 3.101 10 10 EGCEHM O=C(NCc1c([O-])cccc1F)[C@@H]1COc2ccc(Cl)cc2C1 ZINC001156164127 1380534341 /nfs/dbraw/zinc/53/43/41/1380534341.db2.gz NSSXOEQJGCPJKT-NSHDSACASA-N -1 3 335.762 3.052 10 10 EGCEHM Cc1ccc2c(c1Br)CN(C(=O)c1cccc(O)c1[O-])C2 ZINC001167776252 1383737831 /nfs/dbraw/zinc/73/78/31/1383737831.db2.gz VDLCPGZHVMGZMN-UHFFFAOYSA-N -1 3 348.196 3.325 10 10 EGCEHM Cc1ccc2[nH]cc(CCNC(=O)NCc3c([O-])cccc3F)c2c1 ZINC001313405123 1384416075 /nfs/dbraw/zinc/41/60/75/1384416075.db2.gz KEEWCJBBFXSNEM-UHFFFAOYSA-N -1 3 341.386 3.363 10 10 EGCEHM COc1cc(/C=C2/C(=O)N(c3nc4ccccc4[n-]3)N=C2C)ccc1O ZINC000051103242 277794963 /nfs/dbraw/zinc/79/49/63/277794963.db2.gz NZHXHEIUGJLQGO-UKTHLTGXSA-N -1 3 348.362 3.083 10 10 EGCEHM CCCCN(Cc1cc(Cl)cc(C)c1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000179568037 455059083 /nfs/dbraw/zinc/05/90/83/455059083.db2.gz RHRLQYRARUEPRS-HNNXBMFYSA-N -1 3 345.892 3.143 10 10 EGCEHM Cc1nc([C@@H](NCc2c([O-])ccc(Cl)c2F)c2ccccc2)n[nH]1 ZINC000190942015 455411166 /nfs/dbraw/zinc/41/11/66/455411166.db2.gz RTEQPAJWCUARQI-INIZCTEOSA-N -1 3 346.793 3.490 10 10 EGCEHM [O-]c1cc(F)c(Cl)cc1CN1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000294795515 455828580 /nfs/dbraw/zinc/82/85/80/455828580.db2.gz VOKDXSNKTAVBTG-OQPBUACISA-N -1 3 341.732 3.320 10 10 EGCEHM CCCC(=O)NC[C@H]1CCCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000295384762 455847883 /nfs/dbraw/zinc/84/78/83/455847883.db2.gz PHODFIPPFQIZJE-GFCCVEGCSA-N -1 3 342.842 3.313 10 10 EGCEHM Cc1cc(Cl)cc(CN2C[C@@H](C)OC3(CCOCC3)C2)c1[O-] ZINC000280527269 455990181 /nfs/dbraw/zinc/99/01/81/455990181.db2.gz RLCLSRLDPBFNSC-CYBMUJFWSA-N -1 3 325.836 3.124 10 10 EGCEHM CCc1nc([C@@H]2CCCCN2Cc2cc(F)cc(C(C)=O)c2[O-])no1 ZINC000364187861 457518330 /nfs/dbraw/zinc/51/83/30/457518330.db2.gz BRSQEEXLASPWQE-HNNXBMFYSA-N -1 3 347.390 3.407 10 10 EGCEHM Cc1nn(C)c(C)c1[C@@H]1COCCN1Cc1cc(Cl)cc(C)c1[O-] ZINC000375261792 457854756 /nfs/dbraw/zinc/85/47/56/457854756.db2.gz IGEJCTZBQKWXGH-INIZCTEOSA-N -1 3 349.862 3.278 10 10 EGCEHM [O-]c1ccc(Cl)c(F)c1CN[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000366785484 457899052 /nfs/dbraw/zinc/89/90/52/457899052.db2.gz DCSMTIYXKLCJMY-OAHLLOKOSA-N -1 3 332.766 3.182 10 10 EGCEHM O=C1C[C@H]([C@@H]2CCCCN2Cc2cc(Cl)cc(Cl)c2[O-])CN1 ZINC000367542803 457963499 /nfs/dbraw/zinc/96/34/99/457963499.db2.gz SQQRMJHFTZDEAO-HZMBPMFUSA-N -1 3 343.254 3.190 10 10 EGCEHM Cc1cn2c(n1)CN(Cc1ccc(OCc3ccccc3)cc1[O-])CC2 ZINC000368345184 458028245 /nfs/dbraw/zinc/02/82/45/458028245.db2.gz ROPBLJKHCFRTIH-UHFFFAOYSA-N -1 3 349.434 3.492 10 10 EGCEHM O=C(NCc1nc(-c2ccccc2)cs1)c1cccc(O)c1[O-] ZINC000186924797 1295357923 /nfs/dbraw/zinc/35/79/23/1295357923.db2.gz NVWATRZKOBDNRT-UHFFFAOYSA-N -1 3 326.377 3.151 10 10 EGCEHM O=C(NCc1c([O-])cccc1F)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 ZINC000921554525 1322350464 /nfs/dbraw/zinc/35/04/64/1322350464.db2.gz BVRZOFRAHYCTTC-JEBQAFNWSA-N -1 3 326.371 3.059 10 10 EGCEHM CCC(CC)[C@H]1C[C@@H](NC(=O)NCc2c([O-])cccc2F)CCO1 ZINC000921841504 1322410518 /nfs/dbraw/zinc/41/05/18/1322410518.db2.gz SXBNYDJHWJUGLF-SUMWQHHRSA-N -1 3 338.423 3.314 10 10 EGCEHM CCO[C@H](CNC(=O)NCc1c([O-])cccc1F)c1ccccc1 ZINC000922218329 1322480524 /nfs/dbraw/zinc/48/05/24/1322480524.db2.gz ILLPILDDBYRNSI-QGZVFWFLSA-N -1 3 332.375 3.108 10 10 EGCEHM CO[C@@H]1CCOc2c(NC(=O)NCc3c([O-])cccc3F)cccc21 ZINC000931160253 1329063999 /nfs/dbraw/zinc/06/39/99/1329063999.db2.gz NMMBGQNADNZRAE-MRXNPFEDSA-N -1 3 346.358 3.323 10 10 EGCEHM CC(C)(C)n1nc(C(=O)NCc2c([O-])cccc2F)cc1C1CC1 ZINC000928712266 1328407363 /nfs/dbraw/zinc/40/73/63/1328407363.db2.gz PVIRBKKEVJYMKC-UHFFFAOYSA-N -1 3 331.391 3.290 10 10 EGCEHM CN(c1nnc(-c2sc3ncccc3c2[O-])n1CC1CC1)C1CC1 ZINC001345295646 1390853686 /nfs/dbraw/zinc/85/36/86/1390853686.db2.gz NMOGBHLPUPXEEB-UHFFFAOYSA-N -1 3 341.440 3.269 10 10 EGCEHM CC(=O)c1cc(Cl)cc(CN2CCC(Cn3cccn3)CC2)c1[O-] ZINC000177139185 454827673 /nfs/dbraw/zinc/82/76/73/454827673.db2.gz DQNQJTZITLKRLC-UHFFFAOYSA-N -1 3 347.846 3.357 10 10 EGCEHM Cc1cc([C@H]2CN(C(=O)c3ccc(C)c(O)c3[O-])CCO2)ccc1F ZINC000182956278 455198666 /nfs/dbraw/zinc/19/86/66/455198666.db2.gz RAUAYCBYPHEVTG-MRXNPFEDSA-N -1 3 345.370 3.067 10 10 EGCEHM Cc1ccc(C(=O)N[C@@H]2[C@@H]3Cc4c(cccc4Cl)[C@@H]32)c([O-])c1O ZINC000530047127 458671730 /nfs/dbraw/zinc/67/17/30/458671730.db2.gz BAXSWGLNDDSUMV-VHDGCEQUSA-N -1 3 329.783 3.128 10 10 EGCEHM Cc1cc(C(=O)NCc2cc(Cl)ccc2[O-])c(C)n1[C@@H]1CCOC1 ZINC000529512486 459830076 /nfs/dbraw/zinc/83/00/76/459830076.db2.gz OPWAXMBJFRKISJ-OAHLLOKOSA-N -1 3 348.830 3.355 10 10 EGCEHM CC(=O)c1cc(Cl)cc(CN2CCC[C@@H](c3ccncn3)C2)c1[O-] ZINC000365880531 547780565 /nfs/dbraw/zinc/78/05/65/547780565.db2.gz IMEXWFHMGLCWEK-CYBMUJFWSA-N -1 3 345.830 3.418 10 10 EGCEHM C[C@@H](OC(=O)c1cc([O-])cs1)C(=O)N1c2ccccc2CC[C@@H]1C ZINC000732352662 575261449 /nfs/dbraw/zinc/26/14/49/575261449.db2.gz AXWAKDXALJAMDC-NWDGAFQWSA-N -1 3 345.420 3.367 10 10 EGCEHM [O-]c1c(Br)cc(Cl)cc1CN1CC[C@H]2OCC[C@@H]2C1 ZINC000724841998 1298350748 /nfs/dbraw/zinc/35/07/48/1298350748.db2.gz JLGGGHNAZUWRJQ-NOZJJQNGSA-N -1 3 346.652 3.419 10 10 EGCEHM CC(=O)c1cc(Cl)cc(CN2CCC[C@@H](c3ncccn3)C2)c1[O-] ZINC000886680977 1303557379 /nfs/dbraw/zinc/55/73/79/1303557379.db2.gz PQWJCMILSAAKTB-CYBMUJFWSA-N -1 3 345.830 3.418 10 10 EGCEHM [O-]c1c(F)cc(Br)cc1CN1CCC[C@](O)(C2CC2)C1 ZINC000895260363 1309262341 /nfs/dbraw/zinc/26/23/41/1309262341.db2.gz QITRKKBFZJQYCJ-OAHLLOKOSA-N -1 3 344.224 3.031 10 10 EGCEHM CC(=O)c1cc(F)cc(CN2CC[C@@H](Oc3ccc(C)cn3)C2)c1[O-] ZINC000858036228 1328666660 /nfs/dbraw/zinc/66/66/60/1328666660.db2.gz NITVLGMSCKRPOP-MRXNPFEDSA-N -1 3 344.386 3.091 10 10 EGCEHM O=C(NCc1c([O-])cccc1F)N[C@H]1c2ccccc2CC[C@@H]1F ZINC000924028695 1322877596 /nfs/dbraw/zinc/87/75/96/1322877596.db2.gz BUMWFJWVAMXFPZ-RDJZCZTQSA-N -1 3 332.350 3.356 10 10 EGCEHM C[C@@]1(CNC(=O)NCc2c([O-])cccc2F)CCOC2(CCC2)C1 ZINC000924051525 1322885411 /nfs/dbraw/zinc/88/54/11/1322885411.db2.gz LIIJYRGYMBMWAU-QGZVFWFLSA-N -1 3 336.407 3.070 10 10 EGCEHM CC(C)Cn1ncc(C(=O)NCc2c([O-])cccc2F)c1C(F)F ZINC000928705269 1328403947 /nfs/dbraw/zinc/40/39/47/1328403947.db2.gz IQDNCAYLEPQCBL-UHFFFAOYSA-N -1 3 341.333 3.251 10 10 EGCEHM COC(=O)c1cnc(NCc2c([O-])cccc2F)cc1C(F)(F)F ZINC001187677130 1388140930 /nfs/dbraw/zinc/14/09/30/1388140930.db2.gz JKLQVAFBAOITEU-UHFFFAOYSA-N -1 3 344.264 3.344 10 10 EGCEHM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cccc(O)c1[O-] ZINC001292086590 1382168048 /nfs/dbraw/zinc/16/80/48/1382168048.db2.gz XZQHBWCYSANMEE-UHFFFAOYSA-N -1 3 330.340 3.057 10 10 EGCEHM O=C(NCc1cc(C(F)(F)F)cc(Cl)n1)c1cccc(O)c1[O-] ZINC001177101657 1385812037 /nfs/dbraw/zinc/81/20/37/1385812037.db2.gz RFNAIUQNWAOLNT-UHFFFAOYSA-N -1 3 346.692 3.095 10 10 EGCEHM O=C(NCc1c([O-])cccc1F)c1ccc(N2CCCCCC2)nc1 ZINC001178412664 1386210333 /nfs/dbraw/zinc/21/03/33/1386210333.db2.gz DBZUTLZFWQCVMH-UHFFFAOYSA-N -1 3 343.402 3.237 10 10 EGCEHM CO[C@@H]1C[C@H](c2nc(C)no2)N(Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000190143186 455282998 /nfs/dbraw/zinc/28/29/98/455282998.db2.gz ABCWEJTWYVZERN-ZIAGYGMSSA-N -1 3 337.807 3.007 10 10 EGCEHM COc1cc2c(cc1OC)C(=O)N(C)[C@@H](c1cc(Cl)ccc1[O-])N2 ZINC000030539550 453836408 /nfs/dbraw/zinc/83/64/08/453836408.db2.gz SCEBSEYGUWITFN-INIZCTEOSA-N -1 3 348.786 3.259 10 10 EGCEHM COc1cc(OC)c(CN[C@@H](C)c2ccc(F)cc2[O-])c(OC)c1 ZINC000185066003 455495425 /nfs/dbraw/zinc/49/54/25/455495425.db2.gz GXQIVFSTRMADHS-NSHDSACASA-N -1 3 335.375 3.408 10 10 EGCEHM Cc1ccc(C(=O)N2CCC(Nc3ccccc3F)CC2)c([O-])c1O ZINC000179518408 455054764 /nfs/dbraw/zinc/05/47/64/455054764.db2.gz ACRZEZWQRCDHTO-UHFFFAOYSA-N -1 3 344.386 3.262 10 10 EGCEHM Cc1ccc(C(=O)N2CCC[C@@H]2C[C@@H](O)c2ccccc2)c([O-])c1O ZINC000179526877 455056226 /nfs/dbraw/zinc/05/62/26/455056226.db2.gz WRZHNJHMMSDDSB-NVXWUHKLSA-N -1 3 341.407 3.135 10 10 EGCEHM CO[C@@H]1CC[C@H]2OCCN(Cc3cc(Cl)cc(C)c3[O-])[C@@H]2C1 ZINC000245637657 455345120 /nfs/dbraw/zinc/34/51/20/455345120.db2.gz CKPAVFGZXUQWRO-BZUAXINKSA-N -1 3 325.836 3.122 10 10 EGCEHM CC(=O)c1cc(F)cc(CN2CCC[C@@H]2c2c(C)nn(C)c2C)c1[O-] ZINC000175652890 455477132 /nfs/dbraw/zinc/47/71/32/455477132.db2.gz AEXSFNWEYMZFMX-QGZVFWFLSA-N -1 3 345.418 3.421 10 10 EGCEHM O=C1[C@H](NCc2cc(Cl)ccc2[O-])CCN1Cc1ccc(F)cc1 ZINC000191767629 455518456 /nfs/dbraw/zinc/51/84/56/455518456.db2.gz QYDBNVKLDFZSIA-MRXNPFEDSA-N -1 3 348.805 3.075 10 10 EGCEHM C[C@@H](N[C@H]1CCCn2ncnc21)c1cc(Cl)c(Cl)cc1[O-] ZINC000192939633 455722865 /nfs/dbraw/zinc/72/28/65/455722865.db2.gz YPFGHTPHACKRTN-PELKAZGASA-N -1 3 327.215 3.476 10 10 EGCEHM [O-]c1cc(F)c(Cl)cc1CN1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000294685637 455823932 /nfs/dbraw/zinc/82/39/32/455823932.db2.gz NEHLCTNNLRUPJR-ZDUSSCGKSA-N -1 3 341.732 3.464 10 10 EGCEHM COc1c([O-])c(CN2CC[C@H](C(F)(F)F)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000294980158 455834305 /nfs/dbraw/zinc/83/43/05/455834305.db2.gz JSLPJXZKWNXJME-KOLCDFICSA-N -1 3 348.321 3.472 10 10 EGCEHM Cc1noc([C@@H]2CCCN(Cc3cc(Cl)c(F)cc3[O-])C2)n1 ZINC000295462298 455849908 /nfs/dbraw/zinc/84/99/08/455849908.db2.gz WACQEZBIRQNHKZ-SNVBAGLBSA-N -1 3 325.771 3.256 10 10 EGCEHM CCOCc1nc([C@@H](C)N[C@H](C)c2cc(Cl)ccc2[O-])no1 ZINC000290092004 456238048 /nfs/dbraw/zinc/23/80/48/456238048.db2.gz HLYUHCSNFAILJR-NXEZZACHSA-N -1 3 325.796 3.377 10 10 EGCEHM CCOc1ccc(CN2CCc3nc(C(C)C)ncc3C2)c([O-])c1 ZINC000527617612 459671069 /nfs/dbraw/zinc/67/10/69/459671069.db2.gz BENNGAMZOWJTTP-UHFFFAOYSA-N -1 3 327.428 3.263 10 10 EGCEHM COc1ccc(O)c([C@@H](C)NC(=O)c2cc3c(cc2[O-])CCCC3)c1 ZINC000729534880 574869103 /nfs/dbraw/zinc/86/91/03/574869103.db2.gz FIRKDOBHJHQKEK-GFCCVEGCSA-N -1 3 341.407 3.476 10 10 EGCEHM O=C(Nc1cccc(-c2n[nH]c(C3CC3)n2)c1)c1cccc(O)c1[O-] ZINC000188368606 1295455871 /nfs/dbraw/zinc/45/58/71/1295455871.db2.gz LZMUSJWLNCVUQY-UHFFFAOYSA-N -1 3 336.351 3.013 10 10 EGCEHM Cc1nc(C2CCC2)sc1CC(=O)NCc1c([O-])cccc1F ZINC000928711866 1328407172 /nfs/dbraw/zinc/40/71/72/1328407172.db2.gz VDIVGOZUGFRPME-UHFFFAOYSA-N -1 3 334.416 3.423 10 10 EGCEHM [O-]c1cccc(F)c1CNc1ncnc2c1cnn2-c1ccccc1 ZINC001187676840 1388140856 /nfs/dbraw/zinc/14/08/56/1388140856.db2.gz GMJXUFHMPHCAER-UHFFFAOYSA-N -1 3 335.342 3.272 10 10 EGCEHM CCc1csc([C@@H]2CCCN(C(=O)c3ccc(C)c(O)c3[O-])C2)n1 ZINC000179497562 455052813 /nfs/dbraw/zinc/05/28/13/455052813.db2.gz UYEIFSYSOUGSRQ-GFCCVEGCSA-N -1 3 346.452 3.445 10 10 EGCEHM Cc1occc1C(=O)NC1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000180027287 455118801 /nfs/dbraw/zinc/11/88/01/455118801.db2.gz DUQRIRLUOJPVNZ-UHFFFAOYSA-N -1 3 348.830 3.341 10 10 EGCEHM CN(Cc1cn(C)nc1C(F)(F)F)Cc1c([O-])cccc1Cl ZINC000271422461 455631052 /nfs/dbraw/zinc/63/10/52/455631052.db2.gz ZSKOZKPDCIGVFA-UHFFFAOYSA-N -1 3 333.741 3.430 10 10 EGCEHM COCC(=O)N1CCc2c1cccc2N[C@H](C)c1ccc(F)cc1[O-] ZINC000186589373 455799719 /nfs/dbraw/zinc/79/97/19/455799719.db2.gz ILNFLGBXJQUEMG-GFCCVEGCSA-N -1 3 344.386 3.240 10 10 EGCEHM COc1ccc(OC)c([C@H]2CC(c3ccccc3[O-])=NN2C(C)=O)c1 ZINC000253431211 455847919 /nfs/dbraw/zinc/84/79/19/455847919.db2.gz ZNUQYQAEMZEWAZ-QGZVFWFLSA-N -1 3 340.379 3.107 10 10 EGCEHM [O-]c1ccccc1CN(Cc1ncc(C2CC2)o1)C[C@H]1CCCO1 ZINC000270478601 455964420 /nfs/dbraw/zinc/96/44/20/455964420.db2.gz DFTLYFYEAXXQSF-MRXNPFEDSA-N -1 3 328.412 3.439 10 10 EGCEHM Cc1ccc(C(=O)N2CC=C(c3ccc(Cl)nc3)CC2)c([O-])c1O ZINC000376842922 458404522 /nfs/dbraw/zinc/40/45/22/458404522.db2.gz NUGJQNIUBYWMPT-UHFFFAOYSA-N -1 3 344.798 3.384 10 10 EGCEHM O=C(NCc1ccc(OCc2ccccn2)cc1)c1cc([O-])cs1 ZINC000731870058 575213903 /nfs/dbraw/zinc/21/39/03/575213903.db2.gz ACEMDYNZTXKDSR-UHFFFAOYSA-N -1 3 340.404 3.358 10 10 EGCEHM O=C(OCCCc1nc(-c2cccs2)no1)c1cc([O-])cs1 ZINC000732353056 575261378 /nfs/dbraw/zinc/26/13/78/575261378.db2.gz LCPVZSBYSHTJCA-UHFFFAOYSA-N -1 3 336.394 3.355 10 10 EGCEHM COc1c([O-])c(CN[C@H]2c3ccccc3CC[C@@H]2F)ccc1[N+](=O)[O-] ZINC000895690694 1309467035 /nfs/dbraw/zinc/46/70/35/1309467035.db2.gz KKBRKQVPLVLFJC-HOCLYGCPSA-N -1 3 346.358 3.424 10 10 EGCEHM CC(C)Oc1cccc(CNC(=O)NCc2c([O-])cccc2F)c1 ZINC000914250495 1319278616 /nfs/dbraw/zinc/27/86/16/1319278616.db2.gz SCBKHXKSSHTDKT-UHFFFAOYSA-N -1 3 332.375 3.318 10 10 EGCEHM COc1cccc2c1CC[C@@H]2NC(=O)NCc1c([O-])cccc1F ZINC000921453301 1322317809 /nfs/dbraw/zinc/31/78/09/1322317809.db2.gz KAKSBZXYANHQLS-HNNXBMFYSA-N -1 3 330.359 3.027 10 10 EGCEHM C[C@@H]1CN(Cc2c([O-])cccc2Br)C2(CCC2)CO1 ZINC000862403918 1329483527 /nfs/dbraw/zinc/48/35/27/1329483527.db2.gz XVAKKXVMCDBOAD-LLVKDONJSA-N -1 3 326.234 3.298 10 10 EGCEHM Cc1ccc(C(=O)Nc2ccc3c(c2)[C@H](C)CC(=O)N3C)c([O-])c1O ZINC000863542590 1329561847 /nfs/dbraw/zinc/56/18/47/1329561847.db2.gz QPZKNFREWPWHPF-LLVKDONJSA-N -1 3 340.379 3.129 10 10 EGCEHM CN(C(=O)c1cccc(O)c1[O-])[C@H](CCc1ccccc1)C(F)F ZINC000863729887 1329578326 /nfs/dbraw/zinc/57/83/26/1329578326.db2.gz QYEPJPJRBAZBOP-CQSZACIVSA-N -1 3 335.350 3.436 10 10 EGCEHM O=C(NCc1c([O-])cccc1F)c1cc(F)cc(Br)c1 ZINC001178409546 1386209717 /nfs/dbraw/zinc/20/97/17/1386209717.db2.gz GJQMVTLKWRLZGC-UHFFFAOYSA-N -1 3 342.139 3.363 10 10 EGCEHM Cc1cc(Cl)cc(CN(C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)c1[O-] ZINC000180434186 455169190 /nfs/dbraw/zinc/16/91/90/455169190.db2.gz RSMBGRDXLQDGFG-GJZGRUSLSA-N -1 3 345.892 3.142 10 10 EGCEHM CO[C@@H]1CC[C@@H]2OCCN(Cc3cc(Cl)cc(C)c3[O-])[C@H]2C1 ZINC000180780155 455244271 /nfs/dbraw/zinc/24/42/71/455244271.db2.gz CKPAVFGZXUQWRO-PMPSAXMXSA-N -1 3 325.836 3.122 10 10 EGCEHM CC(=O)N1N=C(c2ccccc2[O-])C[C@H]1c1ccc2nccnc2c1 ZINC000060101642 454269932 /nfs/dbraw/zinc/26/99/32/454269932.db2.gz PRZIEXZOCHOIJC-SFHVURJKSA-N -1 3 332.363 3.033 10 10 EGCEHM Cc1ccc(C(=O)N[C@H](c2ccccc2)c2ccncc2)c([O-])c1O ZINC000177676574 454891201 /nfs/dbraw/zinc/89/12/01/454891201.db2.gz JQFHVPDWTMBQJC-QGZVFWFLSA-N -1 3 334.375 3.321 10 10 EGCEHM Cc1csc(C2CCN(C(=O)c3ccc(C)c(O)c3[O-])CC2)n1 ZINC000179479209 455050939 /nfs/dbraw/zinc/05/09/39/455050939.db2.gz UKCKLEVVIJAFJA-UHFFFAOYSA-N -1 3 332.425 3.191 10 10 EGCEHM CC(C)c1nc2n(n1)C[C@@H](NCc1c([O-])ccc(Cl)c1F)CC2 ZINC000190973980 455418062 /nfs/dbraw/zinc/41/80/62/455418062.db2.gz IGDVWTYLCQOJJO-JTQLQIEISA-N -1 3 338.814 3.004 10 10 EGCEHM COc1cc(Cl)cc(CN2CCN(c3cccc(O)c3)CC2)c1[O-] ZINC000184675775 455426294 /nfs/dbraw/zinc/42/62/94/455426294.db2.gz VEVXMVFMEJDTHC-UHFFFAOYSA-N -1 3 348.830 3.082 10 10 EGCEHM Cc1ccc(C(=O)N2C[C@@H](c3ccccc3)OC[C@@H]2C)c([O-])c1O ZINC000182312264 455486335 /nfs/dbraw/zinc/48/63/35/455486335.db2.gz GSFONTUBVZKJHH-BBRMVZONSA-N -1 3 327.380 3.008 10 10 EGCEHM CC(=O)c1cc(Cl)cc(CN2CCCC[C@@H]2c2nc[nH]n2)c1[O-] ZINC000182714463 455573685 /nfs/dbraw/zinc/57/36/85/455573685.db2.gz NPUODFCKEHXRMP-CQSZACIVSA-N -1 3 334.807 3.094 10 10 EGCEHM CC(=O)c1cc(Cl)cc(CN2CCCC[C@@H]2c2nnc[nH]2)c1[O-] ZINC000182714463 455573688 /nfs/dbraw/zinc/57/36/88/455573688.db2.gz NPUODFCKEHXRMP-CQSZACIVSA-N -1 3 334.807 3.094 10 10 EGCEHM CO[C@H]1C[C@@H](c2nc(C)no2)N(Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000248800841 455731471 /nfs/dbraw/zinc/73/14/71/455731471.db2.gz ABCWEJTWYVZERN-KBPBESRZSA-N -1 3 337.807 3.007 10 10 EGCEHM CC(C)(C[C@H]1CCCN(Cc2cc(Cl)c(F)cc2[O-])C1)C(N)=O ZINC000294762744 455826499 /nfs/dbraw/zinc/82/64/99/455826499.db2.gz JGTDYDCMNFAGLK-LLVKDONJSA-N -1 3 342.842 3.298 10 10 EGCEHM Cc1cc(Cl)cc(CN2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)c1[O-] ZINC000280596132 456009040 /nfs/dbraw/zinc/00/90/40/456009040.db2.gz XVMAOULKMBTOJM-OGHNNQOOSA-N -1 3 325.836 3.122 10 10 EGCEHM Cc1cc(Cl)cc(CN2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)c1[O-] ZINC000280596128 456009211 /nfs/dbraw/zinc/00/92/11/456009211.db2.gz XVMAOULKMBTOJM-DCGLDWPTSA-N -1 3 325.836 3.122 10 10 EGCEHM CC(=O)c1cc(F)cc(CN2CCCC[C@@H]2c2noc(C)n2)c1[O-] ZINC000364187933 457518010 /nfs/dbraw/zinc/51/80/10/457518010.db2.gz CJTWIPZOBCYGNK-OAHLLOKOSA-N -1 3 333.363 3.153 10 10 EGCEHM O=C(NCc1cc(Cl)cc(Cl)c1[O-])[C@H]1CCCc2[nH]ncc21 ZINC000377087760 458458819 /nfs/dbraw/zinc/45/88/19/458458819.db2.gz BWJPVYBFHNTVNN-JTQLQIEISA-N -1 3 340.210 3.158 10 10 EGCEHM COc1cc(Cl)cc(CN2CC=C(c3ccnn3C)CC2)c1[O-] ZINC000377720672 458512345 /nfs/dbraw/zinc/51/23/45/458512345.db2.gz RUPXWMOHGPMKIS-UHFFFAOYSA-N -1 3 333.819 3.077 10 10 EGCEHM CCn1ncc(CN[C@@H](CCc2ccccc2)c2ccccc2[O-])n1 ZINC000527925210 459774124 /nfs/dbraw/zinc/77/41/24/459774124.db2.gz VDINBRUCVMOFFH-IBGZPJMESA-N -1 3 336.439 3.467 10 10 EGCEHM CCOc1ccc([C@@H](C)NC(=O)NCc2c([O-])cccc2F)cc1 ZINC000913973247 1319199871 /nfs/dbraw/zinc/19/98/71/1319199871.db2.gz HZUOQFPKQZPQAR-GFCCVEGCSA-N -1 3 332.375 3.490 10 10 EGCEHM O=C(NCc1c([O-])cccc1F)N[C@@H]1CCCOc2ccccc21 ZINC000915803179 1319538384 /nfs/dbraw/zinc/53/83/84/1319538384.db2.gz UPEALJQHDHNELC-OAHLLOKOSA-N -1 3 330.359 3.244 10 10 EGCEHM O=C(NCc1c([O-])cccc1F)N[C@H](c1ccccc1)[C@H]1CCOC1 ZINC000921767583 1322395315 /nfs/dbraw/zinc/39/53/15/1322395315.db2.gz QNNRTWQVVSMGQA-KBXCAEBGSA-N -1 3 344.386 3.108 10 10 EGCEHM O=C(NCc1c([O-])cccc1F)N[C@H]1CCO[C@H](c2ccccc2)C1 ZINC000921993606 1322436359 /nfs/dbraw/zinc/43/63/59/1322436359.db2.gz DWGSEBUUFJQTGS-KSSFIOAISA-N -1 3 344.386 3.251 10 10 EGCEHM O=C(NCc1c([O-])cccc1F)Nc1ccc([C@@H]2CCOC2)cc1 ZINC000931562154 1329144739 /nfs/dbraw/zinc/14/47/39/1329144739.db2.gz BSYZRVDDIDUXAB-CYBMUJFWSA-N -1 3 330.359 3.357 10 10 EGCEHM CC(C)(C)c1cnc(SCc2nc3c(c(=O)[n-]2)COCC3)s1 ZINC000865359370 1329688735 /nfs/dbraw/zinc/68/87/35/1329688735.db2.gz INGDTQOLQGBELK-UHFFFAOYSA-N -1 3 337.470 3.301 10 10 EGCEHM O=C(NCc1c([O-])cccc1F)Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC001341208324 1390455865 /nfs/dbraw/zinc/45/58/65/1390455865.db2.gz XTBKAGXSALWBOB-CQSZACIVSA-N -1 3 346.358 3.021 10 10 EGCEHM Cn1cc([C@H]2CCN(Cc3cc(Cl)cc(Cl)c3[O-])C2)cn1 ZINC000128459337 455058689 /nfs/dbraw/zinc/05/86/89/455058689.db2.gz XIBLUMFHBDATDS-JTQLQIEISA-N -1 3 326.227 3.422 10 10 EGCEHM [O-]c1ccc(Br)cc1CN1CC[C@H](Oc2cccnc2)C1 ZINC000093690493 454729616 /nfs/dbraw/zinc/72/96/16/454729616.db2.gz NBYFCBVBXHHRIT-HNNXBMFYSA-N -1 3 349.228 3.203 10 10 EGCEHM CC(=O)c1cc(F)cc(CN2CCO[C@@H](c3cccs3)C2)c1[O-] ZINC000157544621 455205930 /nfs/dbraw/zinc/20/59/30/455205930.db2.gz KSEVJXONZZSASU-OAHLLOKOSA-N -1 3 335.400 3.369 10 10 EGCEHM [O-]c1cc2c(cc1CN1CCCC[C@@H]1c1noc(C3CC3)n1)OCO2 ZINC000362367810 458129888 /nfs/dbraw/zinc/12/98/88/458129888.db2.gz AWQNCQBHKWQQRN-CYBMUJFWSA-N -1 3 343.383 3.109 10 10 EGCEHM Cc1noc(C)c1CO[C@H]1CCN(Cc2cccc(Cl)c2[O-])C1 ZINC000377671224 458508828 /nfs/dbraw/zinc/50/88/28/458508828.db2.gz GIUHCPUWWJFVNO-AWEZNQCLSA-N -1 3 336.819 3.442 10 10 EGCEHM C[C@H](OC(=O)c1cc([O-])cs1)C(=O)N1c2ccccc2CC[C@H]1C ZINC000732352661 575261478 /nfs/dbraw/zinc/26/14/78/575261478.db2.gz AXWAKDXALJAMDC-NEPJUHHUSA-N -1 3 345.420 3.367 10 10 EGCEHM C[C@]12COC[C@@H]1CN(Cc1cc(Cl)cc(Br)c1[O-])C2 ZINC000895275745 1309266666 /nfs/dbraw/zinc/26/66/66/1309266666.db2.gz OXRCCEBSYNDHST-HZMBPMFUSA-N -1 3 346.652 3.276 10 10 EGCEHM CC(C)(O)[C@H]1CCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000895476855 1309358188 /nfs/dbraw/zinc/35/81/88/1309358188.db2.gz BZNYJOMTDHUCPM-JTQLQIEISA-N -1 3 348.668 3.401 10 10 EGCEHM O=C(c1cccc(O)c1[O-])N1CCCC[C@H]1CC1(O)CCCCC1 ZINC000899750672 1317143924 /nfs/dbraw/zinc/14/39/24/1317143924.db2.gz LMIWQRMZOAMPJB-AWEZNQCLSA-N -1 3 333.428 3.178 10 10 EGCEHM CC(C)Oc1ccccc1CNC(=O)NCc1c([O-])cccc1F ZINC000914300373 1319289141 /nfs/dbraw/zinc/28/91/41/1319289141.db2.gz RAAVAFFPFLQMHO-UHFFFAOYSA-N -1 3 332.375 3.318 10 10 EGCEHM COC(=O)c1ccc(C(=O)[N-]c2c3nonc3ccc2Cl)cc1F ZINC001323416029 1387366295 /nfs/dbraw/zinc/36/62/95/1387366295.db2.gz CIPCKYAYXIXUKZ-UHFFFAOYSA-N -1 3 349.705 3.054 10 10 EGCEHM O=C(NC1(c2ccc(Cl)cc2)CCOCC1)c1cccc(O)c1[O-] ZINC001292582451 1382204429 /nfs/dbraw/zinc/20/44/29/1382204429.db2.gz RPKVTDSBMFKTOA-UHFFFAOYSA-N -1 3 347.798 3.187 10 10 EGCEHM CCNC(=O)Nc1c(C)cccc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC001161053486 1382284886 /nfs/dbraw/zinc/28/48/86/1382284886.db2.gz VZQIDCJNBXBXMV-UHFFFAOYSA-N -1 3 343.383 3.108 10 10 EGCEHM O=C(N[C@@H]1CCCO[C@H]1c1ccc(Cl)cc1)c1cccc(O)c1[O-] ZINC001302841619 1383770420 /nfs/dbraw/zinc/77/04/20/1383770420.db2.gz FOSQXCRIJVEEBL-PBHICJAKSA-N -1 3 347.798 3.401 10 10 EGCEHM O=C(c1cccc(O)c1[O-])N1CCC(Oc2ccc(F)cc2F)CC1 ZINC000192986458 257952710 /nfs/dbraw/zinc/95/27/10/257952710.db2.gz OJGBLKUHRAXFJL-UHFFFAOYSA-N -1 3 349.333 3.060 10 10 EGCEHM O=C1C[C@H](c2ccccc2)N(Cc2cc(Cl)ccc2[O-])CCN1 ZINC000092075722 454518231 /nfs/dbraw/zinc/51/82/31/454518231.db2.gz MYOXKTCRFBNTGN-MRXNPFEDSA-N -1 3 330.815 3.109 10 10 EGCEHM CCc1nccn1[C@H]1CCCN(Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000175653147 455477513 /nfs/dbraw/zinc/47/75/13/455477513.db2.gz AOPUMNUKXKRPRP-INIZCTEOSA-N -1 3 345.418 3.330 10 10 EGCEHM Cc1cc(Cl)cc(CN2CCSC[C@H]2c2cnn(C)c2)c1[O-] ZINC000191734994 455515801 /nfs/dbraw/zinc/51/58/01/455515801.db2.gz MSZGEUNJNQAABE-HNNXBMFYSA-N -1 3 337.876 3.378 10 10 EGCEHM CC(=O)c1cc(F)cc(CN2CCC(c3nccc(C)n3)CC2)c1[O-] ZINC000371823989 458088770 /nfs/dbraw/zinc/08/87/70/458088770.db2.gz UCKHJRUFEUQGAN-UHFFFAOYSA-N -1 3 343.402 3.212 10 10 EGCEHM O=C(NCc1cccc(COC2CCOCC2)c1)c1cc([O-])cs1 ZINC000732305807 575253967 /nfs/dbraw/zinc/25/39/67/575253967.db2.gz CUDFWJQYUHRHQW-UHFFFAOYSA-N -1 3 347.436 3.079 10 10 EGCEHM [O-]c1ccc(-c2ccccc2)cc1C[NH2+]C1(c2nnn[n-]2)CCCC1 ZINC000735407792 575657825 /nfs/dbraw/zinc/65/78/25/575657825.db2.gz PUJITYSUXNGYQY-UHFFFAOYSA-N -1 3 335.411 3.131 10 10 EGCEHM [O-]c1c(F)cc(F)cc1CN1Cc2cccnc2N2CCC[C@@H]2C1 ZINC000895454035 1309345711 /nfs/dbraw/zinc/34/57/11/1309345711.db2.gz HMUQRPOHYZCOQH-OAHLLOKOSA-N -1 3 331.366 3.050 10 10 EGCEHM CC(C)(C)c1csc(CNC(=O)NCc2c([O-])cccc2F)n1 ZINC000916992387 1319733258 /nfs/dbraw/zinc/73/32/58/1319733258.db2.gz IFPKGMSRBMGMBP-UHFFFAOYSA-N -1 3 337.420 3.285 10 10 EGCEHM CC(=O)c1cc(Cl)cc(CN2CCC[C@@H](c3ccn(C)n3)C2)c1[O-] ZINC000932135733 1329787651 /nfs/dbraw/zinc/78/76/51/1329787651.db2.gz NEFRZZMNOYDHQN-CYBMUJFWSA-N -1 3 347.846 3.361 10 10 EGCEHM COc1cc(Cl)c(F)cc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC001304074290 1383827366 /nfs/dbraw/zinc/82/73/66/1383827366.db2.gz IFHUFZQSTJIHCC-UHFFFAOYSA-N -1 3 325.723 3.460 10 10 EGCEHM O=C(NCc1c([O-])cccc1F)N[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC001313097913 1384395808 /nfs/dbraw/zinc/39/58/08/1384395808.db2.gz CPSLPCNCORBLMI-XHDPSFHLSA-N -1 3 336.313 3.165 10 10 EGCEHM C[C@H](N[C@@H]1CCCn2ncnc21)c1cc(Cl)c(Cl)cc1[O-] ZINC000192939592 455723405 /nfs/dbraw/zinc/72/34/05/455723405.db2.gz YPFGHTPHACKRTN-QPUJVOFHSA-N -1 3 327.215 3.476 10 10 EGCEHM CC(=O)N1N=C(c2ccccc2[O-])C[C@@H]1c1ccc2nccnc2c1 ZINC000060101643 454269911 /nfs/dbraw/zinc/26/99/11/454269911.db2.gz PRZIEXZOCHOIJC-GOSISDBHSA-N -1 3 332.363 3.033 10 10 EGCEHM CC(=O)c1cc(Cl)cc(CN2CCC(c3cc[nH]n3)CC2)c1[O-] ZINC000177091807 454821070 /nfs/dbraw/zinc/82/10/70/454821070.db2.gz IXXHTSDRCBHUIY-UHFFFAOYSA-N -1 3 333.819 3.351 10 10 EGCEHM Cc1ccc(C(=O)N2CCC[C@@H]2Cc2cccc(F)c2)c([O-])c1O ZINC000177676813 454890839 /nfs/dbraw/zinc/89/08/39/454890839.db2.gz OKSZVBQLHYTWQU-OAHLLOKOSA-N -1 3 329.371 3.393 10 10 EGCEHM COc1c([O-])c(CN[C@@H]2COc3c2ccc(C)c3C)ccc1[N+](=O)[O-] ZINC000278924802 455853116 /nfs/dbraw/zinc/85/31/16/455853116.db2.gz VIOSDQJFGYTDDO-CQSZACIVSA-N -1 3 344.367 3.149 10 10 EGCEHM Cc1ccc(C2CCN(C(=O)c3ccc(C)c(O)c3[O-])CC2)cn1 ZINC000378639644 457412936 /nfs/dbraw/zinc/41/29/36/457412936.db2.gz SVOUUBCPDUDESA-UHFFFAOYSA-N -1 3 326.396 3.129 10 10 EGCEHM CC1(C)C[C@@H](C(=O)NCc2ccc3cccnc3c2[O-])C(C)(C)O1 ZINC000529503762 459830216 /nfs/dbraw/zinc/83/02/16/459830216.db2.gz WJWVNEXUPIDGHD-AWEZNQCLSA-N -1 3 328.412 3.150 10 10 EGCEHM O=C(NC[C@H]1CCCCN1Cc1ccccc1)c1cc([O-])cs1 ZINC000731872027 575214383 /nfs/dbraw/zinc/21/43/83/575214383.db2.gz WNPSTDXFZTXBQM-OAHLLOKOSA-N -1 3 330.453 3.238 10 10 EGCEHM CCN1C(=O)/C(=C/c2cc(Cl)c([O-])c(OC)c2)SC1=S ZINC000096662758 1292952529 /nfs/dbraw/zinc/95/25/29/1292952529.db2.gz CURBVPYXOFERRD-POHAHGRESA-N -1 3 329.830 3.275 10 10 EGCEHM O=C(Nc1nc2cc(C(F)(F)F)ccc2[nH]1)c1cccc(O)c1[O-] ZINC000193144670 1295838094 /nfs/dbraw/zinc/83/80/94/1295838094.db2.gz NEIRPDVLCDOJAF-UHFFFAOYSA-N -1 3 337.257 3.245 10 10 EGCEHM O=C(NCc1c([O-])cccc1F)NC[C@@]1(c2ccccc2)CCCO1 ZINC000927684105 1328105297 /nfs/dbraw/zinc/10/52/97/1328105297.db2.gz ILAOTXWPBVDMSM-LJQANCHMSA-N -1 3 344.386 3.036 10 10 EGCEHM [O-]c1cccc(Br)c1CN1CCOC[C@H]1CC(F)F ZINC000862365707 1329478575 /nfs/dbraw/zinc/47/85/75/1329478575.db2.gz DKEXRMNGLNRTTA-SECBINFHSA-N -1 3 336.176 3.011 10 10 EGCEHM COCC(=O)N1CCc2c1cccc2NCc1cc(Cl)ccc1[O-] ZINC000184128305 455355421 /nfs/dbraw/zinc/35/54/21/455355421.db2.gz JJVJBRGEUSJBKF-UHFFFAOYSA-N -1 3 346.814 3.193 10 10 EGCEHM [O-]c1ccc(Cl)c(F)c1CNCc1cccnc1-n1ccnc1 ZINC000190750589 455377807 /nfs/dbraw/zinc/37/78/07/455377807.db2.gz FYSWOUCTBDYGGA-UHFFFAOYSA-N -1 3 332.766 3.055 10 10 EGCEHM CCCN(Cc1cnnn1Cc1ccccc1)Cc1ccccc1[O-] ZINC000292647720 455722077 /nfs/dbraw/zinc/72/20/77/455722077.db2.gz XKSFDAWIVZLSLI-UHFFFAOYSA-N -1 3 336.439 3.444 10 10 EGCEHM C[C@@]12CCN(Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])C[C@@H]1C2(F)F ZINC000292681931 455730820 /nfs/dbraw/zinc/73/08/20/455730820.db2.gz ASOCVBMRLMSLSY-WCQYABFASA-N -1 3 332.734 3.431 10 10 EGCEHM CC1([C@@H]2CCCN(Cc3cc(Cl)c(F)cc3[O-])C2)OCCO1 ZINC000293499442 455788956 /nfs/dbraw/zinc/78/89/56/455788956.db2.gz BJNJMAPERCBAHU-GFCCVEGCSA-N -1 3 329.799 3.160 10 10 EGCEHM O=C(NC1CC1)c1cccc(CNCc2cc(Cl)c(F)cc2[O-])c1 ZINC000294323472 455811687 /nfs/dbraw/zinc/81/16/87/455811687.db2.gz RCWDTDUZXCSLMF-UHFFFAOYSA-N -1 3 348.805 3.367 10 10 EGCEHM COC(=O)CCS(=O)(=O)[N-]c1ccc(N=Nc2ccccc2)cc1 ZINC000731036475 575046017 /nfs/dbraw/zinc/04/60/17/575046017.db2.gz MGULODGEXOBZFK-UHFFFAOYSA-N -1 3 347.396 3.407 10 10 EGCEHM Nc1ccc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000040675699 1291410637 /nfs/dbraw/zinc/41/06/37/1291410637.db2.gz NWPXDHYYKYZBHY-UHFFFAOYSA-N -1 3 345.251 3.097 10 10 EGCEHM O=C(c1cccs1)N1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000119103877 1293254517 /nfs/dbraw/zinc/25/45/17/1293254517.db2.gz UWEONWRNOSBKCV-UHFFFAOYSA-N -1 3 336.844 3.065 10 10 EGCEHM [O-]c1c(Br)cc(Cl)cc1CN1CC[C@@H]2OCC[C@H]2C1 ZINC000724842002 1298350941 /nfs/dbraw/zinc/35/09/41/1298350941.db2.gz JLGGGHNAZUWRJQ-ZANVPECISA-N -1 3 346.652 3.419 10 10 EGCEHM [O-]c1cccc(Br)c1CN1CCc2nc[nH]c2C12CCC2 ZINC000895069141 1309177612 /nfs/dbraw/zinc/17/76/12/1309177612.db2.gz RSQNOLQDXSYSCF-UHFFFAOYSA-N -1 3 348.244 3.315 10 10 EGCEHM CC(=O)c1cc(F)cc(CN2CC[C@H](Oc3ccc(C)cn3)C2)c1[O-] ZINC000858036226 1328667566 /nfs/dbraw/zinc/66/75/66/1328667566.db2.gz NITVLGMSCKRPOP-INIZCTEOSA-N -1 3 344.386 3.091 10 10 EGCEHM CC[C@H](N[C@H](CO)c1ccnn1C)c1cc(Cl)cc(Cl)c1[O-] ZINC000858435399 1328762002 /nfs/dbraw/zinc/76/20/02/1328762002.db2.gz HJOCPSFPLXJKPR-QWHCGFSZSA-N -1 3 344.242 3.207 10 10 EGCEHM Cn1cc(C(=O)NCc2c([O-])cccc2F)c(C2CCCCC2)n1 ZINC000928711189 1328405798 /nfs/dbraw/zinc/40/57/98/1328405798.db2.gz GTGHVWFWIBNHQO-UHFFFAOYSA-N -1 3 331.391 3.243 10 10 EGCEHM CC(C)(C)n1cncc1[C@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC001124100160 1372672423 /nfs/dbraw/zinc/67/24/23/1372672423.db2.gz VPBAUPHQWPFUNT-ZDUSSCGKSA-N -1 3 343.427 3.069 10 10 EGCEHM COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1cccc(O)c1[O-])[C@H]2C ZINC001138144688 1377684985 /nfs/dbraw/zinc/68/49/85/1377684985.db2.gz GHKNHJDXAKQNOF-NEPJUHHUSA-N -1 3 327.380 3.254 10 10 EGCEHM O=C(c1cccc(O)c1[O-])N1CCCC[C@@H]1Cc1ccc(O)cc1 ZINC001180504606 1386817167 /nfs/dbraw/zinc/81/71/67/1386817167.db2.gz XPPILXHTIKQGSB-CQSZACIVSA-N -1 3 327.380 3.041 10 10 EGCEHM O=[N+]([O-])c1cc(Cl)cc(CN2CCC(c3c[nH]cn3)CC2)c1[O-] ZINC000371336196 457872924 /nfs/dbraw/zinc/87/29/24/457872924.db2.gz OAAMPOXKOJUGNR-UHFFFAOYSA-N -1 3 336.779 3.057 10 10 EGCEHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000530195990 458713171 /nfs/dbraw/zinc/71/31/71/458713171.db2.gz IEYMFONUWMLGMU-FRRDWIJNSA-N -1 3 348.830 3.246 10 10 EGCEHM O=C(COC(=O)c1cc([O-])cs1)c1cccc(Br)c1 ZINC000732352812 575261469 /nfs/dbraw/zinc/26/14/69/575261469.db2.gz HXMUGSUCHQJTJP-UHFFFAOYSA-N -1 3 341.182 3.256 10 10 EGCEHM COCC[C@H](NC(=O)NCc1c([O-])cccc1F)c1ccc(C)o1 ZINC000921838434 1322409174 /nfs/dbraw/zinc/40/91/74/1322409174.db2.gz JYYPHXHHHXKIOO-AWEZNQCLSA-N -1 3 336.363 3.010 10 10 EGCEHM CCSc1cc(CNC(=O)NCc2c([O-])cccc2F)ccn1 ZINC000922088596 1322452454 /nfs/dbraw/zinc/45/24/54/1322452454.db2.gz WJXGIRYSPFQRLG-UHFFFAOYSA-N -1 3 335.404 3.038 10 10 EGCEHM CCCNc1ccc(CNC(=O)NCc2c([O-])cccc2F)cc1 ZINC000922205129 1322478163 /nfs/dbraw/zinc/47/81/63/1322478163.db2.gz LBWNNTLTUUUBAJ-UHFFFAOYSA-N -1 3 331.391 3.353 10 10 EGCEHM COc1ccc(C(=O)C[C@H](C)C(=O)NCc2c([O-])cccc2F)cc1 ZINC000928707736 1328404929 /nfs/dbraw/zinc/40/49/29/1328404929.db2.gz HKVGETINNGGFOU-LBPRGKRZSA-N -1 3 345.370 3.065 10 10 EGCEHM O=C(CCC(=O)c1ccc2c(c1)CCC2)NCc1c([O-])cccc1F ZINC000928709644 1328406461 /nfs/dbraw/zinc/40/64/61/1328406461.db2.gz KGVOBFGNLRJHAN-UHFFFAOYSA-N -1 3 341.382 3.299 10 10 EGCEHM COc1c([O-])c(CN2CC(Cc3cccs3)C2)ccc1[N+](=O)[O-] ZINC000862539952 1329494173 /nfs/dbraw/zinc/49/41/73/1329494173.db2.gz VIRRQZVKWYAPPR-UHFFFAOYSA-N -1 3 334.397 3.045 10 10 EGCEHM Cc1ccc(C(=O)Nc2ccc3c(c2)[C@@H](C)CC(=O)N3C)c([O-])c1O ZINC000863542591 1329561831 /nfs/dbraw/zinc/56/18/31/1329561831.db2.gz QPZKNFREWPWHPF-NSHDSACASA-N -1 3 340.379 3.129 10 10 EGCEHM COC(=O)CN(Cc1cc(C)cc(Br)c1[O-])CC(C)C ZINC001342092724 1390570440 /nfs/dbraw/zinc/57/04/40/1390570440.db2.gz JMBBFGRAJSSDCV-UHFFFAOYSA-N -1 3 344.249 3.094 10 10 EGCEHM CCN(CC)c1ccc(CNC(=O)c2ccc(C(C)=O)c([O-])c2)cc1 ZINC001141869112 1378387991 /nfs/dbraw/zinc/38/79/91/1378387991.db2.gz UYVCHCXCXCVXBS-UHFFFAOYSA-N -1 3 340.423 3.371 10 10 EGCEHM C[C@H](NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O)c1ccccc1O ZINC001171730927 1384617336 /nfs/dbraw/zinc/61/73/36/1384617336.db2.gz SBXWDBGHOZWQFZ-VIFPVBQESA-N -1 3 344.317 3.003 10 10 EGCEHM Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)NCc1c([O-])cccc1F ZINC001178413872 1386210223 /nfs/dbraw/zinc/21/02/23/1386210223.db2.gz ZMQHCGQKWFBWPM-UHFFFAOYSA-N -1 3 339.370 3.468 10 10 EGCEHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@]1(C)CCCO1 ZINC000121004950 454376306 /nfs/dbraw/zinc/37/63/06/454376306.db2.gz RPHLMMPJVLQKBW-HNNXBMFYSA-N -1 3 342.233 3.072 10 10 EGCEHM O=C1C[C@@H]([C@H]2CCCCN2Cc2cc(Cl)cc(Cl)c2[O-])CN1 ZINC000092105320 454524941 /nfs/dbraw/zinc/52/49/41/454524941.db2.gz SQQRMJHFTZDEAO-QMTHXVAHSA-N -1 3 343.254 3.190 10 10 EGCEHM Cc1ccc(C(=O)N2C[C@@H](C)O[C@@H](c3ccccc3)C2)c([O-])c1O ZINC000177676289 454890972 /nfs/dbraw/zinc/89/09/72/454890972.db2.gz IELDMROHZJHNCL-CZUORRHYSA-N -1 3 327.380 3.008 10 10 EGCEHM CO[C@@H]1CC[C@@H]2OCCN(Cc3cc(Cl)cc(C)c3[O-])[C@@H]2C1 ZINC000245637665 455345933 /nfs/dbraw/zinc/34/59/33/455345933.db2.gz CKPAVFGZXUQWRO-OAGGEKHMSA-N -1 3 325.836 3.122 10 10 EGCEHM Cc1nccn1-c1ccc(CN[C@H](C)c2ccc(F)c(F)c2[O-])cn1 ZINC000191211355 455464406 /nfs/dbraw/zinc/46/44/06/455464406.db2.gz FKWXUJJBPGBFSR-LLVKDONJSA-N -1 3 344.365 3.410 10 10 EGCEHM COc1c([O-])c(CNc2ccnn2[C@@H](C)C2CC2)ccc1[N+](=O)[O-] ZINC000278907616 455853265 /nfs/dbraw/zinc/85/32/65/455853265.db2.gz RXNKFDVHOJCBHP-JTQLQIEISA-N -1 3 332.360 3.089 10 10 EGCEHM Cc1ccc(C(=O)N2CC[C@@](C)(c3ccc(F)cc3)C2)c([O-])c1O ZINC000366818524 457900873 /nfs/dbraw/zinc/90/08/73/457900873.db2.gz FBXDGGVCXQZKMA-LJQANCHMSA-N -1 3 329.371 3.349 10 10 EGCEHM CC(C)c1nc([C@@H]2CCCCCN2C(=O)c2cccc(O)c2[O-])no1 ZINC000369297533 458163419 /nfs/dbraw/zinc/16/34/19/458163419.db2.gz FYWLXHGIIAQNBN-ZDUSSCGKSA-N -1 3 345.399 3.362 10 10 EGCEHM CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)OC(=O)c1cc([O-])cs1 ZINC000732354975 575262001 /nfs/dbraw/zinc/26/20/01/575262001.db2.gz YLEOCXPYFQYUSL-CYBMUJFWSA-N -1 3 347.436 3.436 10 10 EGCEHM C[C@@H]1CN(Cc2cccc(NC(=O)c3cc([O-])cs3)c2)C[C@@H](C)O1 ZINC000738544247 576336009 /nfs/dbraw/zinc/33/60/09/576336009.db2.gz XUULIOAYMFCYNF-CHWSQXEVSA-N -1 3 346.452 3.315 10 10 EGCEHM CCOc1cccc([C@H](C)NC(=O)NCc2c([O-])cccc2F)c1 ZINC000915218232 1319447144 /nfs/dbraw/zinc/44/71/44/1319447144.db2.gz UEVFTTQNHLAZHT-LBPRGKRZSA-N -1 3 332.375 3.490 10 10 EGCEHM CCC(CC)[C@H]1C[C@H](NC(=O)NCc2c([O-])cccc2F)CCO1 ZINC000921841496 1322410789 /nfs/dbraw/zinc/41/07/89/1322410789.db2.gz SXBNYDJHWJUGLF-CXAGYDPISA-N -1 3 338.423 3.314 10 10 EGCEHM Cc1nc2c(s1)[C@H](NC(=O)NCc1c([O-])cccc1F)CCC2 ZINC000921867202 1322415498 /nfs/dbraw/zinc/41/54/98/1322415498.db2.gz WDHQBRCDPLDITH-CYBMUJFWSA-N -1 3 335.404 3.173 10 10 EGCEHM O=C(NCc1c([O-])cccc1F)N[C@@H]1c2ccccc2CC[C@@H]1F ZINC000924028691 1322877658 /nfs/dbraw/zinc/87/76/58/1322877658.db2.gz BUMWFJWVAMXFPZ-DOTOQJQBSA-N -1 3 332.350 3.356 10 10 EGCEHM CCCCc1nc(C)c(CC(=O)NCc2c([O-])cccc2F)s1 ZINC000928709814 1328405722 /nfs/dbraw/zinc/40/57/22/1328405722.db2.gz GCYNQUVLHPQWAV-UHFFFAOYSA-N -1 3 336.432 3.498 10 10 EGCEHM Cn1ncc(C(F)(F)F)c1CNCc1cc(Cl)cc(F)c1[O-] ZINC000862435790 1329486895 /nfs/dbraw/zinc/48/68/95/1329486895.db2.gz LEFZJALWOCLVLN-UHFFFAOYSA-N -1 3 337.704 3.227 10 10 EGCEHM CC(=O)c1cc(Cl)cc(CN2CCC[C@H](c3ccn(C)n3)C2)c1[O-] ZINC000932135734 1329787703 /nfs/dbraw/zinc/78/77/03/1329787703.db2.gz NEFRZZMNOYDHQN-ZDUSSCGKSA-N -1 3 347.846 3.361 10 10 EGCEHM O=C([N-]c1c2nonc2ccc1Cl)c1coc(Br)c1 ZINC001128606112 1373297342 /nfs/dbraw/zinc/29/73/42/1373297342.db2.gz AXLDHKQIWVFCPN-UHFFFAOYSA-N -1 3 342.536 3.484 10 10 EGCEHM CSc1ccc([O-])c(C(=O)NCc2ccc3cccnc3c2O)c1 ZINC001162612140 1382808421 /nfs/dbraw/zinc/80/84/21/1382808421.db2.gz CXTPWODDXXGACE-UHFFFAOYSA-N -1 3 340.404 3.298 10 10 EGCEHM CC1(c2ccccc2)CC(NC(=O)NCc2c([O-])cccc2F)C1 ZINC001312617468 1384360353 /nfs/dbraw/zinc/36/03/53/1384360353.db2.gz YCVLOFUPKNBYDT-UHFFFAOYSA-N -1 3 328.387 3.451 10 10 EGCEHM O=C(NCc1c([O-])cccc1F)c1ccc(F)c(Br)c1 ZINC001178412850 1386210068 /nfs/dbraw/zinc/21/00/68/1386210068.db2.gz IGSDRSUZACGMTD-UHFFFAOYSA-N -1 3 342.139 3.363 10 10 EGCEHM [O-]c1c2cccnc2sc1-c1nnc(N2CCCC2)n1CC1CC1 ZINC001347062895 1390997484 /nfs/dbraw/zinc/99/74/84/1390997484.db2.gz SMMKCXAZWBWXOR-UHFFFAOYSA-N -1 3 341.440 3.271 10 10 EGCEHM [O-]c1ccc(Br)cc1CN1CCOC[C@H]1CC(F)F ZINC000289959801 456196439 /nfs/dbraw/zinc/19/64/39/456196439.db2.gz YZMNIEIFWZZZDT-LLVKDONJSA-N -1 3 336.176 3.011 10 10 EGCEHM COc1ccc(F)cc1CNCc1cc(Cl)cc(OC)c1[O-] ZINC000189695187 455231833 /nfs/dbraw/zinc/23/18/33/455231833.db2.gz YHRWYTHVGFIDKK-UHFFFAOYSA-N -1 3 325.767 3.492 10 10 EGCEHM CC(=O)c1cc(Cl)cc(CN2CCC[C@H]2Cn2ccnc2C)c1[O-] ZINC000177372432 454857243 /nfs/dbraw/zinc/85/72/43/454857243.db2.gz LUWRNYUTDHWXCO-INIZCTEOSA-N -1 3 347.846 3.418 10 10 EGCEHM Cc1ccc(C(=O)N2CCC[C@H]2Cc2cccc(F)c2)c([O-])c1O ZINC000177676821 454891096 /nfs/dbraw/zinc/89/10/96/454891096.db2.gz OKSZVBQLHYTWQU-HNNXBMFYSA-N -1 3 329.371 3.393 10 10 EGCEHM COc1cc(OC)c(CN[C@H](C)c2cc(F)ccc2[O-])c(OC)c1 ZINC000185066368 455495360 /nfs/dbraw/zinc/49/53/60/455495360.db2.gz ASZBFCWXVLTKKL-LLVKDONJSA-N -1 3 335.375 3.408 10 10 EGCEHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NC[C@H]1C[C@H]1C ZINC000266743643 455446069 /nfs/dbraw/zinc/44/60/69/455446069.db2.gz MWGONOZJUYVYGY-GHMZBOCLSA-N -1 3 341.249 3.342 10 10 EGCEHM O=C(c1cccc(O)c1[O-])N1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000187209903 455881863 /nfs/dbraw/zinc/88/18/63/455881863.db2.gz AKVNTXXIFQJAGG-ZDUSSCGKSA-N -1 3 333.771 3.045 10 10 EGCEHM C[C@@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccc2c(c1)OCCO2 ZINC000273388032 456226487 /nfs/dbraw/zinc/22/64/87/456226487.db2.gz KBRPMPUSRDFIOQ-NEPJUHHUSA-N -1 3 344.367 3.483 10 10 EGCEHM CC(=O)c1cc(F)cc(CN2CCCC[C@H]2c2noc(C)n2)c1[O-] ZINC000364187932 457517112 /nfs/dbraw/zinc/51/71/12/457517112.db2.gz CJTWIPZOBCYGNK-HNNXBMFYSA-N -1 3 333.363 3.153 10 10 EGCEHM O=C(c1cccc(O)c1[O-])N1CC[C@@H](Cc2ccc(F)c(F)c2)C1 ZINC000375680992 458017660 /nfs/dbraw/zinc/01/76/60/458017660.db2.gz WXSIBXKZVNPDKK-LBPRGKRZSA-N -1 3 333.334 3.081 10 10 EGCEHM O=C(c1cc([O-])cs1)N1CCC(Oc2ccc(F)cc2F)CC1 ZINC000732272899 575251795 /nfs/dbraw/zinc/25/17/95/575251795.db2.gz RNRDDBQULYLZIV-UHFFFAOYSA-N -1 3 339.363 3.416 10 10 EGCEHM C[C@@H](NC(=O)c1cc([O-])cs1)c1ccc(N2CCCC2=O)cc1 ZINC000732278593 575253925 /nfs/dbraw/zinc/25/39/25/575253925.db2.gz CIHVFRIRVANTNS-LLVKDONJSA-N -1 3 330.409 3.072 10 10 EGCEHM CN(Cc1cc(F)cc(F)c1[O-])C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000895477430 1309359348 /nfs/dbraw/zinc/35/93/48/1309359348.db2.gz UQJJNJYAQVHHHM-HNNXBMFYSA-N -1 3 348.349 3.128 10 10 EGCEHM [O-]c1c(Cl)cc(Cl)cc1CN1C[C@H](O)CC2(CCOCC2)C1 ZINC000895721811 1309489694 /nfs/dbraw/zinc/48/96/94/1309489694.db2.gz KFMREKANKIGFGH-CYBMUJFWSA-N -1 3 346.254 3.062 10 10 EGCEHM C[C@H](N[C@H]1c2ccccc2CN(C)C1=O)c1cc(F)cc(F)c1[O-] ZINC000857875104 1328612031 /nfs/dbraw/zinc/61/20/31/1328612031.db2.gz GIKAJVKHPDHNIG-QFYYESIMSA-N -1 3 332.350 3.034 10 10 EGCEHM O=C(NCc1ccccc1N1CCCC1)NCc1c([O-])cccc1F ZINC000914357353 1319307112 /nfs/dbraw/zinc/30/71/12/1319307112.db2.gz AWHDFDCBGMMFOJ-UHFFFAOYSA-N -1 3 343.402 3.131 10 10 EGCEHM O=C(NCc1c([O-])cccc1F)N[C@@H](c1ccccc1)[C@H]1CCCO1 ZINC000916142980 1319608131 /nfs/dbraw/zinc/60/81/31/1319608131.db2.gz OXAHKCFPUUCUGA-MSOLQXFVSA-N -1 3 344.386 3.251 10 10 EGCEHM O=C(NCc1c([O-])cccc1F)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000921533659 1322342753 /nfs/dbraw/zinc/34/27/53/1322342753.db2.gz RGBHGCHKMZVLMA-CYBMUJFWSA-N -1 3 336.407 3.212 10 10 EGCEHM CC(C)(C)Oc1ccc(CNC(=O)NCc2c([O-])cccc2F)cn1 ZINC000921845362 1322411104 /nfs/dbraw/zinc/41/11/04/1322411104.db2.gz MAXDHXOCCOGCPZ-UHFFFAOYSA-N -1 3 347.390 3.103 10 10 EGCEHM C[C@@H](NC(=O)NCc1c([O-])cccc1F)c1ccc2c(c1)CCCO2 ZINC000923358621 1322739994 /nfs/dbraw/zinc/73/99/94/1322739994.db2.gz IZEKOXKPXRWINP-GFCCVEGCSA-N -1 3 344.386 3.417 10 10 EGCEHM O=C(C[C@@H](c1ccc(O)cc1)C1CC1)NCc1c([O-])cccc1F ZINC000928704954 1328403422 /nfs/dbraw/zinc/40/34/22/1328403422.db2.gz BHHGNAPPVPKTBI-OAHLLOKOSA-N -1 3 329.371 3.437 10 10 EGCEHM O=C(NCc1c([O-])cccc1F)c1ccc([C@H]2CCCOC2)cc1 ZINC000928709215 1328404733 /nfs/dbraw/zinc/40/47/33/1328404733.db2.gz YUSIHNZHXGGWLU-HNNXBMFYSA-N -1 3 329.371 3.355 10 10 EGCEHM CC(=O)c1cccc(OCCCC(=O)NCc2c([O-])cccc2F)c1 ZINC000928711821 1328407536 /nfs/dbraw/zinc/40/75/36/1328407536.db2.gz LLOCOHHTJCRXNL-UHFFFAOYSA-N -1 3 345.370 3.209 10 10 EGCEHM O=C(C[C@H]1CCCN1C(=O)c1cccc(O)c1[O-])c1ccc(F)cc1 ZINC001137688611 1377592167 /nfs/dbraw/zinc/59/21/67/1377592167.db2.gz NDDYJENTKJDMLL-CQSZACIVSA-N -1 3 343.354 3.115 10 10 EGCEHM O=[N+]([O-])c1cc(Cl)cc(CN2CCC(c3cc[nH]n3)CC2)c1[O-] ZINC000092810770 454638223 /nfs/dbraw/zinc/63/82/23/454638223.db2.gz JXAJWSNUTCOQTO-UHFFFAOYSA-N -1 3 336.779 3.057 10 10 EGCEHM COc1cc(OC)cc([C@H]2CC(c3ccccc3[O-])=NN2C(C)=O)c1 ZINC000170620032 454943669 /nfs/dbraw/zinc/94/36/69/454943669.db2.gz XZCQXCXMYXCSPZ-GOSISDBHSA-N -1 3 340.379 3.107 10 10 EGCEHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NC[C@@H]1C[C@H]1C ZINC000266743644 455445998 /nfs/dbraw/zinc/44/59/98/455445998.db2.gz MWGONOZJUYVYGY-MNOVXSKESA-N -1 3 341.249 3.342 10 10 EGCEHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NC[C@H]1C[C@@H]1C ZINC000266743646 455446197 /nfs/dbraw/zinc/44/61/97/455446197.db2.gz MWGONOZJUYVYGY-WDEREUQCSA-N -1 3 341.249 3.342 10 10 EGCEHM CC(=O)c1cc(F)cc(CN2CCC[C@@H](n3cc(C)cn3)C2)c1[O-] ZINC000175653469 455477813 /nfs/dbraw/zinc/47/78/13/455477813.db2.gz KISXCGQGHOEKFU-MRXNPFEDSA-N -1 3 331.391 3.076 10 10 EGCEHM COc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3cccc(O)c3[O-])C2)cc1 ZINC000193080377 455741418 /nfs/dbraw/zinc/74/14/18/455741418.db2.gz FGOQMFWPHINJBU-TZMCWYRMSA-N -1 3 327.380 3.125 10 10 EGCEHM COCC(=O)N1CCc2c1cccc2N[C@@H](C)c1ccc(F)cc1[O-] ZINC000186589353 455799785 /nfs/dbraw/zinc/79/97/85/455799785.db2.gz ILNFLGBXJQUEMG-LBPRGKRZSA-N -1 3 344.386 3.240 10 10 EGCEHM Cc1cc(Cl)cc(CN2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)c1[O-] ZINC000280596130 456008964 /nfs/dbraw/zinc/00/89/64/456008964.db2.gz XVMAOULKMBTOJM-GDZNZVCISA-N -1 3 325.836 3.122 10 10 EGCEHM COc1cc(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)ccc1F ZINC000276171444 456405555 /nfs/dbraw/zinc/40/55/55/456405555.db2.gz CQISMCBFDUFUOX-UHFFFAOYSA-N -1 3 339.388 3.266 10 10 EGCEHM O=C(c1cccc(O)c1[O-])N1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000290691215 456406525 /nfs/dbraw/zinc/40/65/25/456406525.db2.gz PVCJHLKZFWNQAB-ZDUSSCGKSA-N -1 3 343.383 3.116 10 10 EGCEHM C[C@@H]1CN(Cc2cccc(Cl)c2[O-])C[C@]2(CCO[C@H](C)C2)O1 ZINC000366813511 457901522 /nfs/dbraw/zinc/90/15/22/457901522.db2.gz WNEZAPXYQQVQQA-PBFPGSCMSA-N -1 3 325.836 3.204 10 10 EGCEHM Cc1noc(C)c1CO[C@@H]1CCN(Cc2cccc(Cl)c2[O-])C1 ZINC000377671226 458508567 /nfs/dbraw/zinc/50/85/67/458508567.db2.gz GIUHCPUWWJFVNO-CQSZACIVSA-N -1 3 336.819 3.442 10 10 EGCEHM O=C(c1cc([O-])cs1)N1CCC(CN2CCc3ccccc32)CC1 ZINC000732301274 575254019 /nfs/dbraw/zinc/25/40/19/575254019.db2.gz UHWDNXQNOCIPJR-UHFFFAOYSA-N -1 3 342.464 3.369 10 10 EGCEHM [O-]c1c(Br)cc(Cl)cc1CN1CC[C@H]2OCC[C@H]2C1 ZINC000724842000 1298350376 /nfs/dbraw/zinc/35/03/76/1298350376.db2.gz JLGGGHNAZUWRJQ-TVQRCGJNSA-N -1 3 346.652 3.419 10 10 EGCEHM COCCCOc1ccccc1NC(=O)NCc1c([O-])cccc1F ZINC000929909519 1328737224 /nfs/dbraw/zinc/73/72/24/1328737224.db2.gz YKRHHQBDCMTXRG-UHFFFAOYSA-N -1 3 348.374 3.268 10 10 EGCEHM CC[C@@H](NC(=O)NCc1c([O-])cccc1F)c1ccccc1OC ZINC000914095116 1319233844 /nfs/dbraw/zinc/23/38/44/1319233844.db2.gz PVHUMZVIRHMVOD-OAHLLOKOSA-N -1 3 332.375 3.490 10 10 EGCEHM O=C(NCc1c([O-])cccc1F)N[C@@H]1c2ccccc2CC[C@H]1F ZINC000924028692 1322878037 /nfs/dbraw/zinc/87/80/37/1322878037.db2.gz BUMWFJWVAMXFPZ-NVXWUHKLSA-N -1 3 332.350 3.356 10 10 EGCEHM CC[C@@H](C)c1nc(C)c(CC(=O)NCc2c([O-])cccc2F)c(C)n1 ZINC000928706842 1328403385 /nfs/dbraw/zinc/40/33/85/1328403385.db2.gz WNVIAMBGSLKZEZ-LLVKDONJSA-N -1 3 345.418 3.311 10 10 EGCEHM CC(C)Cn1ncc(C(=O)NCc2c([O-])cccc2F)c1C1CC1 ZINC000928706156 1328403779 /nfs/dbraw/zinc/40/37/79/1328403779.db2.gz SFZFVUUOPPQDEQ-UHFFFAOYSA-N -1 3 331.391 3.191 10 10 EGCEHM O=C(NCc1c([O-])cccc1F)c1ccc(C2CCOCC2)cc1 ZINC000928709536 1328406360 /nfs/dbraw/zinc/40/63/60/1328406360.db2.gz JKECFJMDLWPPQS-UHFFFAOYSA-N -1 3 329.371 3.355 10 10 EGCEHM O=C(NCc1c([O-])cccc1F)[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21 ZINC000928712967 1328406935 /nfs/dbraw/zinc/40/69/35/1328406935.db2.gz YVSJYFOMWSBIBF-ZTFRIQLXSA-N -1 3 331.774 3.387 10 10 EGCEHM CC(=O)c1cc(Cl)cc(CN[C@@H](c2ncccn2)C2CC2)c1[O-] ZINC000932356891 1329807758 /nfs/dbraw/zinc/80/77/58/1329807758.db2.gz BCPNNDRAKNHJGA-OAHLLOKOSA-N -1 3 331.803 3.279 10 10 EGCEHM Cc1cc(CNC(=O)c2cccc(O)c2[O-])c(C)n1-c1ccccc1 ZINC001151152573 1379668447 /nfs/dbraw/zinc/66/84/47/1379668447.db2.gz CTVDEAMDASGATQ-UHFFFAOYSA-N -1 3 336.391 3.435 10 10 EGCEHM O=C(c1cccc(O)c1[O-])N(Cc1cccs1)Cc1ccncc1 ZINC001159251246 1381743173 /nfs/dbraw/zinc/74/31/73/1381743173.db2.gz MBDUAONOOYXLEJ-UHFFFAOYSA-N -1 3 340.404 3.397 10 10 EGCEHM C[C@@H](CNC(=O)NCc1c([O-])cccc1F)c1ccccc1[N+](=O)[O-] ZINC001313350271 1384412449 /nfs/dbraw/zinc/41/24/49/1384412449.db2.gz CWJFZOJDAMPMOO-NSHDSACASA-N -1 3 347.346 3.042 10 10 EGCEHM Cc1ccc(C(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)c([O-])c1O ZINC000177674230 454890492 /nfs/dbraw/zinc/89/04/92/454890492.db2.gz AGAFJFAUFDSPLB-HNNXBMFYSA-N -1 3 347.798 3.273 10 10 EGCEHM CC(=O)c1cc(F)cc(CN2CCO[C@@H](c3ccsc3)C2)c1[O-] ZINC000126459028 454895475 /nfs/dbraw/zinc/89/54/75/454895475.db2.gz QEBZULXCKBVMGR-MRXNPFEDSA-N -1 3 335.400 3.369 10 10 EGCEHM CC(=O)c1cc(F)cc(CN2CCn3c(C(C)C)nnc3[C@H]2C)c1[O-] ZINC000189511323 455211741 /nfs/dbraw/zinc/21/17/41/455211741.db2.gz HHVKWFPIVKSNNW-LLVKDONJSA-N -1 3 346.406 3.026 10 10 EGCEHM [O-]c1cc(F)c(Cl)cc1CN1CCSC2(CCOCC2)C1 ZINC000294804544 455828668 /nfs/dbraw/zinc/82/86/68/455828668.db2.gz WEWCYXSYIKADCS-UHFFFAOYSA-N -1 3 331.840 3.283 10 10 EGCEHM C[C@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccc2c(c1)OCCO2 ZINC000273388037 456227524 /nfs/dbraw/zinc/22/75/24/456227524.db2.gz KBRPMPUSRDFIOQ-RYUDHWBXSA-N -1 3 344.367 3.483 10 10 EGCEHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2ccc(N3CCCC3)nc2)c1 ZINC000273505162 456234690 /nfs/dbraw/zinc/23/46/90/456234690.db2.gz QVTCDRKJJQGUDZ-CYBMUJFWSA-N -1 3 341.411 3.347 10 10 EGCEHM CC(=O)c1cc(F)cc(CN2CCc3nc(C(C)C)ncc3C2)c1[O-] ZINC000527619272 459672986 /nfs/dbraw/zinc/67/29/86/459672986.db2.gz IZUAFZHBDUZWRB-UHFFFAOYSA-N -1 3 343.402 3.206 10 10 EGCEHM COC(=O)c1ccc([O-])c([C@H](C)NCc2ncc(Cl)s2)c1 ZINC000872117075 1296741560 /nfs/dbraw/zinc/74/15/60/1296741560.db2.gz YMQHUBBEETZTPZ-QMMMGPOBSA-N -1 3 326.805 3.140 10 10 EGCEHM [O-]c1cc(Br)ccc1CN1CCc2nc[nH]c2C12CCC2 ZINC000895068555 1309177687 /nfs/dbraw/zinc/17/76/87/1309177687.db2.gz FKVUKRQDBLDKKR-UHFFFAOYSA-N -1 3 348.244 3.315 10 10 EGCEHM CCCc1ncc(CNCc2c([O-])cccc2Br)o1 ZINC000858174146 1328703465 /nfs/dbraw/zinc/70/34/65/1328703465.db2.gz NIHZQXDRDRUNQM-UHFFFAOYSA-N -1 3 325.206 3.385 10 10 EGCEHM Cc1nc2c(cnn2C(C)C)cc1C(=O)NCc1c([O-])cccc1F ZINC000928707825 1328404914 /nfs/dbraw/zinc/40/49/14/1328404914.db2.gz CMQMKDRKMUVBHA-UHFFFAOYSA-N -1 3 342.374 3.095 10 10 EGCEHM CC(=O)c1cc(Cl)cc(CN[C@H](c2ncccn2)C2CC2)c1[O-] ZINC000932356888 1329807714 /nfs/dbraw/zinc/80/77/14/1329807714.db2.gz BCPNNDRAKNHJGA-HNNXBMFYSA-N -1 3 331.803 3.279 10 10 EGCEHM CCOC(=O)c1c(NC(=O)c2cccc(O)c2[O-])sc(C)c1CC ZINC001293887268 1382385566 /nfs/dbraw/zinc/38/55/66/1382385566.db2.gz WXHSWXBDGGRPKW-UHFFFAOYSA-N -1 3 349.408 3.459 10 10 EGCEHM Cc1ccc(CN(C)Cc2cc(=O)oc3cc([O-])c(O)cc23)c(C)c1 ZINC000095385609 454199693 /nfs/dbraw/zinc/19/96/93/454199693.db2.gz ZBTSULZGINGVHN-UHFFFAOYSA-N -1 3 339.391 3.453 10 10 EGCEHM CCCOc1ccc(CN2CCO[C@H](c3cccc(O)c3)C2)c([O-])c1 ZINC000093457947 454716174 /nfs/dbraw/zinc/71/61/74/454716174.db2.gz KYLPBTADKGLNEO-FQEVSTJZSA-N -1 3 343.423 3.460 10 10 EGCEHM CC(=O)c1cc(Cl)cc(CN2CCC(c3ncc[nH]3)CC2)c1[O-] ZINC000267354004 455545028 /nfs/dbraw/zinc/54/50/28/455545028.db2.gz GMSKXBFBCZQSHF-UHFFFAOYSA-N -1 3 333.819 3.351 10 10 EGCEHM CCc1csc([C@@H]2CCCN(C(=O)c3cccc(O)c3[O-])C2)n1 ZINC000187093041 455869961 /nfs/dbraw/zinc/86/99/61/455869961.db2.gz ZZGKRQWHRFSVET-LLVKDONJSA-N -1 3 332.425 3.137 10 10 EGCEHM CC(C)c1nc([C@H]2CCCCCN2C(=O)c2cccc(O)c2[O-])no1 ZINC000369297532 458163593 /nfs/dbraw/zinc/16/35/93/458163593.db2.gz FYWLXHGIIAQNBN-CYBMUJFWSA-N -1 3 345.399 3.362 10 10 EGCEHM CC[C@H](NCc1cnn(CC)n1)c1cc(Br)ccc1[O-] ZINC000527921947 459772453 /nfs/dbraw/zinc/77/24/53/459772453.db2.gz ALXNLMSHLZAPQP-ZDUSSCGKSA-N -1 3 339.237 3.007 10 10 EGCEHM [O-]c1cccc(Cl)c1CN1CCn2cnc(C(F)(F)F)c2C1 ZINC000895561978 1309402834 /nfs/dbraw/zinc/40/28/34/1309402834.db2.gz IMRCELCRJVXWAM-UHFFFAOYSA-N -1 3 331.725 3.277 10 10 EGCEHM O=C(NCc1c([O-])cccc1F)N[C@H](c1ccccc1)[C@H]1CCCO1 ZINC000916142981 1319608774 /nfs/dbraw/zinc/60/87/74/1319608774.db2.gz OXAHKCFPUUCUGA-QZTJIDSGSA-N -1 3 344.386 3.251 10 10 EGCEHM Cc1csc([C@@H](NC(=O)NCc2c([O-])cccc2F)C2CC2)n1 ZINC000920494037 1322184928 /nfs/dbraw/zinc/18/49/28/1322184928.db2.gz AKZFLMIWVCIKFI-AWEZNQCLSA-N -1 3 335.404 3.247 10 10 EGCEHM C[C@@]1(CCNC(=O)NCc2c([O-])cccc2F)CC1(Cl)Cl ZINC000922734249 1322605666 /nfs/dbraw/zinc/60/56/66/1322605666.db2.gz AHZXPCGYPWMFPX-CYBMUJFWSA-N -1 3 335.206 3.305 10 10 EGCEHM O=C(NCc1c([O-])cccc1F)Nc1ccc([C@H]2CCOC2)cc1 ZINC000931562155 1329144508 /nfs/dbraw/zinc/14/45/08/1329144508.db2.gz BSYZRVDDIDUXAB-ZDUSSCGKSA-N -1 3 330.359 3.357 10 10 EGCEHM O=C(NCc1c([O-])cccc1F)[C@@H]1CSC[C@H]1c1ccccc1 ZINC000928706820 1328403272 /nfs/dbraw/zinc/40/32/72/1328403272.db2.gz VOJJDZKRCNWMAA-LSDHHAIUSA-N -1 3 331.412 3.294 10 10 EGCEHM CC[C@H](C)c1nc(C)c(CC(=O)NCc2c([O-])cccc2F)c(C)n1 ZINC000928706843 1328403773 /nfs/dbraw/zinc/40/37/73/1328403773.db2.gz WNVIAMBGSLKZEZ-NSHDSACASA-N -1 3 345.418 3.311 10 10 EGCEHM O=C(NCc1c([O-])cccc1F)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000928710548 1328405613 /nfs/dbraw/zinc/40/56/13/1328405613.db2.gz UTIULUGBCRRRBV-HNNXBMFYSA-N -1 3 345.370 3.019 10 10 EGCEHM Cc1ccc(C)c(C(=O)CCC(=O)NCc2c([O-])cccc2F)c1 ZINC000928710443 1328405657 /nfs/dbraw/zinc/40/56/57/1328405657.db2.gz SJJUIYJDZYXWAE-UHFFFAOYSA-N -1 3 329.371 3.427 10 10 EGCEHM CCCN(Cc1nc(C(=O)OCC)cs1)Cc1ccccc1[O-] ZINC000292598983 455708379 /nfs/dbraw/zinc/70/83/79/455708379.db2.gz LCICHEHNVNFVJY-UHFFFAOYSA-N -1 3 334.441 3.438 10 10 EGCEHM O=C1[C@@H](NCc2cc(Cl)c(F)cc2[O-])CCN1Cc1ccccc1 ZINC000293830244 455798084 /nfs/dbraw/zinc/79/80/84/455798084.db2.gz DSOJDIPQONUJAB-INIZCTEOSA-N -1 3 348.805 3.075 10 10 EGCEHM CCOCc1nc([C@@H](C)NCc2cc(Cl)cc(C)c2[O-])no1 ZINC000290903269 456462836 /nfs/dbraw/zinc/46/28/36/456462836.db2.gz MGPYCNMUFBMNFX-SNVBAGLBSA-N -1 3 325.796 3.124 10 10 EGCEHM CC1CCC(OC2CCN(C(=O)c3cccc(O)c3[O-])CC2)CC1 ZINC000364827457 457700509 /nfs/dbraw/zinc/70/05/09/457700509.db2.gz AFNJTRQHNFQWEI-UHFFFAOYSA-N -1 3 333.428 3.298 10 10 EGCEHM COc1c([O-])c(CN[C@@H]2CCOc3c(C)cccc32)ccc1[N+](=O)[O-] ZINC000365824195 457778462 /nfs/dbraw/zinc/77/84/62/457778462.db2.gz YVIXESVHMOTAIR-CQSZACIVSA-N -1 3 344.367 3.231 10 10 EGCEHM COc1ccc(NC(=O)[C@H]2CCCN2Cc2cc(F)ccc2[O-])cc1 ZINC000371532881 457977966 /nfs/dbraw/zinc/97/79/66/457977966.db2.gz BPBWKQZADZDADJ-QGZVFWFLSA-N -1 3 344.386 3.143 10 10 EGCEHM O=C(C1CCCCC1)N1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000092539574 1292874816 /nfs/dbraw/zinc/87/48/16/1292874816.db2.gz HREMZEVFTYBXEH-UHFFFAOYSA-N -1 3 336.863 3.270 10 10 EGCEHM COc1c([O-])c(CN[C@@H]2c3ccccc3CC[C@H]2F)ccc1[N+](=O)[O-] ZINC000895690692 1309467145 /nfs/dbraw/zinc/46/71/45/1309467145.db2.gz KKBRKQVPLVLFJC-GDBMZVCRSA-N -1 3 346.358 3.424 10 10 EGCEHM CCC(CC)[C@@H]1C[C@H](NC(=O)NCc2c([O-])cccc2F)CCO1 ZINC000921841499 1322410754 /nfs/dbraw/zinc/41/07/54/1322410754.db2.gz SXBNYDJHWJUGLF-DYVFJYSZSA-N -1 3 338.423 3.314 10 10 EGCEHM CC(C)(C)OC1CCC(NC(=O)NCc2c([O-])cccc2F)CC1 ZINC000923620989 1322782791 /nfs/dbraw/zinc/78/27/91/1322782791.db2.gz NWCACMZDELHOAZ-UHFFFAOYSA-N -1 3 338.423 3.457 10 10 EGCEHM O=C(NCc1c([O-])cccc1F)c1cccn1Cc1cccs1 ZINC001178412801 1386210093 /nfs/dbraw/zinc/21/00/93/1386210093.db2.gz GCCZXPIFUSTRKO-UHFFFAOYSA-N -1 3 330.384 3.373 10 10 EGCEHM COCCCOC1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000295249692 455843448 /nfs/dbraw/zinc/84/34/48/455843448.db2.gz FVXWHJLCDGPGMP-UHFFFAOYSA-N -1 3 331.815 3.202 10 10 EGCEHM Cc1nc([C@@H](NCc2cc(F)ccc2[O-])c2ccccc2F)no1 ZINC000180762561 455240934 /nfs/dbraw/zinc/24/09/34/455240934.db2.gz DSDFZHYBRFSXHL-INIZCTEOSA-N -1 3 331.322 3.241 10 10 EGCEHM COc1cc(OC)cc([C@@H]2CC(c3ccccc3[O-])=NN2C(C)=O)c1 ZINC000170620031 454944180 /nfs/dbraw/zinc/94/41/80/454944180.db2.gz XZCQXCXMYXCSPZ-SFHVURJKSA-N -1 3 340.379 3.107 10 10 EGCEHM [O-]c1ccc(F)cc1CN1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000180041812 455121117 /nfs/dbraw/zinc/12/11/17/455121117.db2.gz RNCNXEUJGPYYDH-OAHLLOKOSA-N -1 3 330.407 3.186 10 10 EGCEHM Cc1nnc([C@@H](N[C@@H](C)c2ccc(F)cc2[O-])c2ccccc2)[nH]1 ZINC000185324370 455540316 /nfs/dbraw/zinc/54/03/16/455540316.db2.gz RXXJLWQCXVNJNG-GTNSWQLSSA-N -1 3 326.375 3.398 10 10 EGCEHM Cc1nc([C@@H](N[C@@H](C)c2ccc(F)cc2[O-])c2ccccc2)n[nH]1 ZINC000185324370 455540320 /nfs/dbraw/zinc/54/03/20/455540320.db2.gz RXXJLWQCXVNJNG-GTNSWQLSSA-N -1 3 326.375 3.398 10 10 EGCEHM Cc1nnc([C@@H](N[C@H](C)c2cc(F)ccc2[O-])c2ccccc2)[nH]1 ZINC000185325036 455540600 /nfs/dbraw/zinc/54/06/00/455540600.db2.gz LTXAFVPUWKGVRI-DIFFPNOSSA-N -1 3 326.375 3.398 10 10 EGCEHM CO[C@@H]1C[C@@H](c2nc(C)no2)N(Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000248800842 455731373 /nfs/dbraw/zinc/73/13/73/455731373.db2.gz ABCWEJTWYVZERN-KGLIPLIRSA-N -1 3 337.807 3.007 10 10 EGCEHM CCN(C(=O)c1cccc(O)c1[O-])[C@H](C)Cc1ccc(OC)cc1 ZINC000296803456 456041615 /nfs/dbraw/zinc/04/16/15/456041615.db2.gz FGEQCILSIRYBRT-CYBMUJFWSA-N -1 3 329.396 3.200 10 10 EGCEHM C[C@@H](N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O)c1ccc(F)cc1[O-] ZINC000189047613 456210511 /nfs/dbraw/zinc/21/05/11/456210511.db2.gz PRHVTORVMMDOHG-SJKOYZFVSA-N -1 3 346.377 3.122 10 10 EGCEHM O=C(c1cccc(O)c1[O-])N1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000282548390 456547987 /nfs/dbraw/zinc/54/79/87/456547987.db2.gz SDDZFVJZBIGCFA-LBPRGKRZSA-N -1 3 329.318 3.293 10 10 EGCEHM CCCN1CCN(Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000708140273 1298238308 /nfs/dbraw/zinc/23/83/08/1298238308.db2.gz KITIUKDBXFPDKO-UHFFFAOYSA-N -1 3 347.684 3.336 10 10 EGCEHM C[C@H]1CN(Cc2cc(F)cc(F)c2[O-])CC[C@H](C(F)(F)F)O1 ZINC000895477018 1309358861 /nfs/dbraw/zinc/35/88/61/1309358861.db2.gz PGUMFKYXRBGOBY-QPUJVOFHSA-N -1 3 325.277 3.212 10 10 EGCEHM O=C(NCc1c([O-])cccc1F)Nc1ccccc1N1CCCC1 ZINC000929308459 1328563214 /nfs/dbraw/zinc/56/32/14/1328563214.db2.gz IHLCXDADVYLWKV-UHFFFAOYSA-N -1 3 329.375 3.453 10 10 EGCEHM Cc1ccc2c(c1C)OC[C@@H]2NC(=O)NCc1c([O-])cccc1F ZINC000916609347 1319683813 /nfs/dbraw/zinc/68/38/13/1319683813.db2.gz LWORUCIHSWHMJV-HNNXBMFYSA-N -1 3 330.359 3.081 10 10 EGCEHM O=C(NCc1c([O-])cccc1F)N[C@H]1CCOC2(CCCCC2)C1 ZINC000921533663 1322342969 /nfs/dbraw/zinc/34/29/69/1322342969.db2.gz RGBHGCHKMZVLMA-ZDUSSCGKSA-N -1 3 336.407 3.212 10 10 EGCEHM C[C@@H](NC(=O)NCc1c([O-])cccc1F)c1ccc(N(C)C)cc1 ZINC000922053574 1322445703 /nfs/dbraw/zinc/44/57/03/1322445703.db2.gz FMCUREFITKOYRO-GFCCVEGCSA-N -1 3 331.391 3.158 10 10 EGCEHM CCOc1ccccc1OCCCC(=O)NCc1c([O-])cccc1F ZINC000928710843 1328406201 /nfs/dbraw/zinc/40/62/01/1328406201.db2.gz WUSWMFWFUMEBCJ-UHFFFAOYSA-N -1 3 347.386 3.405 10 10 EGCEHM COC(=O)c1ccc(F)c2c1CN(Cc1cc(F)ccc1[O-])CC2 ZINC000862468697 1329489400 /nfs/dbraw/zinc/48/94/00/1329489400.db2.gz LXRNKAATGKZACZ-UHFFFAOYSA-N -1 3 333.334 3.015 10 10 EGCEHM Cc1ccc(C(=O)Nc2ccc3c(ccnc3N(C)C)c2)c([O-])c1O ZINC001141050842 1378222244 /nfs/dbraw/zinc/22/22/44/1378222244.db2.gz PXDFLGBJKLSDQH-UHFFFAOYSA-N -1 3 337.379 3.273 10 10 EGCEHM O=C(NCCCCOc1ccccc1)NCc1c([O-])cccc1F ZINC001335122127 1390644799 /nfs/dbraw/zinc/64/47/99/1390644799.db2.gz XJUYEXPGGRZGGR-UHFFFAOYSA-N -1 3 332.375 3.190 10 10 EGCEHM O=[N+]([O-])c1ccc([O-])c(CN[C@H](c2ccc(F)cc2)[C@@H]2CCCO2)c1 ZINC000089782872 454197966 /nfs/dbraw/zinc/19/79/66/454197966.db2.gz QDYJQBCDOKCQII-ZWKOTPCHSA-N -1 3 346.358 3.449 10 10 EGCEHM COc1cc(Cl)cc(CN2CCO[C@@H](c3nccs3)C2)c1[O-] ZINC000184687076 455427974 /nfs/dbraw/zinc/42/79/74/455427974.db2.gz YKRBWAHUYCUZDK-CYBMUJFWSA-N -1 3 340.832 3.084 10 10 EGCEHM COc1ccc([C@@H](CCO)NCc2cc(Cl)c(F)cc2[O-])cc1 ZINC000293547674 455790291 /nfs/dbraw/zinc/79/02/91/455790291.db2.gz GQDNTVINVPJVTP-MRXNPFEDSA-N -1 3 339.794 3.407 10 10 EGCEHM [O-]c1ccc(Br)cc1CN1CCOC[C@@H]1CC(F)F ZINC000289959809 456196076 /nfs/dbraw/zinc/19/60/76/456196076.db2.gz YZMNIEIFWZZZDT-NSHDSACASA-N -1 3 336.176 3.011 10 10 EGCEHM C[C@H](NCc1ccc(F)c(CN(C)C)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273461045 456232124 /nfs/dbraw/zinc/23/21/24/456232124.db2.gz CSXUYOFNLPFQQA-LBPRGKRZSA-N -1 3 347.390 3.352 10 10 EGCEHM Cc1n[nH]c(C)c1[C@@H]1COCCN1Cc1cc(Cl)cc(C)c1[O-] ZINC000367748902 457977652 /nfs/dbraw/zinc/97/76/52/457977652.db2.gz KNKUAMAKLNILNW-HNNXBMFYSA-N -1 3 335.835 3.267 10 10 EGCEHM CC1(C)C[C@H](C(=O)NCc2ccc3cccnc3c2[O-])C(C)(C)O1 ZINC000529503764 459829963 /nfs/dbraw/zinc/82/99/63/459829963.db2.gz WJWVNEXUPIDGHD-CQSZACIVSA-N -1 3 328.412 3.150 10 10 EGCEHM C[C@H]1CN(Cc2cccc(NC(=O)c3cc([O-])cs3)c2)C[C@H](C)O1 ZINC000738544248 576335916 /nfs/dbraw/zinc/33/59/16/576335916.db2.gz XUULIOAYMFCYNF-STQMWFEESA-N -1 3 346.452 3.315 10 10 EGCEHM C[C@]12COC[C@H]1CN(Cc1cc(Cl)cc(Br)c1[O-])C2 ZINC000895275750 1309267176 /nfs/dbraw/zinc/26/71/76/1309267176.db2.gz OXRCCEBSYNDHST-YGRLFVJLSA-N -1 3 346.652 3.276 10 10 EGCEHM O=C(NCc1c([O-])cccc1F)Nc1ccc(N2CCCCC2)nc1 ZINC000929677524 1328666678 /nfs/dbraw/zinc/66/66/78/1328666678.db2.gz GFKJEMGNHQHNOC-UHFFFAOYSA-N -1 3 344.390 3.238 10 10 EGCEHM CC(C)(C)Oc1cccc(CNC(=O)NCc2c([O-])cccc2F)n1 ZINC000921735788 1322387244 /nfs/dbraw/zinc/38/72/44/1322387244.db2.gz BNLAIWPKUQZQLO-UHFFFAOYSA-N -1 3 347.390 3.103 10 10 EGCEHM O=C(NCc1c([O-])cccc1F)N[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21 ZINC000923456851 1322754780 /nfs/dbraw/zinc/75/47/80/1322754780.db2.gz ZNLMPPRREJCAKZ-ZTFRIQLXSA-N -1 3 346.789 3.322 10 10 EGCEHM COc1ccc(C[C@@H](C)C(=O)NCc2c([O-])cccc2F)cc1OC ZINC000928707151 1328405229 /nfs/dbraw/zinc/40/52/29/1328405229.db2.gz BHGKLVAXHNAQKL-GFCCVEGCSA-N -1 3 347.386 3.044 10 10 EGCEHM Cc1cc(C(=O)NCc2c([O-])cccc2F)c(C)n1[C@@H]1CCCOC1 ZINC000928709688 1328406072 /nfs/dbraw/zinc/40/60/72/1328406072.db2.gz LCAMZARUWRVQDO-CQSZACIVSA-N -1 3 346.402 3.231 10 10 EGCEHM O=C(c1c[n-]c2c(Cl)cccc2c1=O)N1Cc2cccc(O)c2C1 ZINC001152573042 1379950687 /nfs/dbraw/zinc/95/06/87/1379950687.db2.gz IRNCWKWKWQEAPG-UHFFFAOYSA-N -1 3 340.766 3.043 10 10 EGCEHM O=C(c1cccc(O)c1[O-])N1CC=C(c2c(F)cccc2F)CC1 ZINC000225734275 242010938 /nfs/dbraw/zinc/01/09/38/242010938.db2.gz FOONOXWRANZNPZ-UHFFFAOYSA-N -1 3 331.318 3.306 10 10 EGCEHM CO[C@@H]1CC[C@H]2OCCN(Cc3cc(Cl)cc(C)c3[O-])[C@H]2C1 ZINC000180780175 455244246 /nfs/dbraw/zinc/24/42/46/455244246.db2.gz CKPAVFGZXUQWRO-OWCLPIDISA-N -1 3 325.836 3.122 10 10 EGCEHM Cc1nc(C[C@H]2CCCN(Cc3c([O-])ccc(Cl)c3F)C2)no1 ZINC000191305183 455476031 /nfs/dbraw/zinc/47/60/31/455476031.db2.gz YTQIOBOBDZCXTR-LLVKDONJSA-N -1 3 339.798 3.331 10 10 EGCEHM CC(=O)c1cc(F)cc(CN2CCC[C@H]2c2c(C)nn(C)c2C)c1[O-] ZINC000175652871 455477853 /nfs/dbraw/zinc/47/78/53/455477853.db2.gz AEXSFNWEYMZFMX-KRWDZBQOSA-N -1 3 345.418 3.421 10 10 EGCEHM Cc1nnc([C@H](N[C@@H](C)c2ccc(F)cc2[O-])c2ccccc2)[nH]1 ZINC000185324349 455540438 /nfs/dbraw/zinc/54/04/38/455540438.db2.gz RXXJLWQCXVNJNG-APPDUMDISA-N -1 3 326.375 3.398 10 10 EGCEHM Cc1nc([C@H](N[C@@H](C)c2ccc(F)cc2[O-])c2ccccc2)n[nH]1 ZINC000185324349 455540442 /nfs/dbraw/zinc/54/04/42/455540442.db2.gz RXXJLWQCXVNJNG-APPDUMDISA-N -1 3 326.375 3.398 10 10 EGCEHM Cc1ccc(OC2CCN(C(=O)c3cccc(O)c3[O-])CC2)cc1C ZINC000192986473 455731652 /nfs/dbraw/zinc/73/16/52/455731652.db2.gz SBCNPQIXSYGEKR-UHFFFAOYSA-N -1 3 341.407 3.398 10 10 EGCEHM COCCOc1ccccc1CNCc1cc(Cl)c(F)cc1[O-] ZINC000294159219 455806704 /nfs/dbraw/zinc/80/67/04/455806704.db2.gz IMSLASIKOIUZJB-UHFFFAOYSA-N -1 3 339.794 3.500 10 10 EGCEHM [O-]c1ccccc1CN(Cc1ncc(C2CC2)o1)C[C@@H]1CCCO1 ZINC000270478599 455964892 /nfs/dbraw/zinc/96/48/92/455964892.db2.gz DFTLYFYEAXXQSF-INIZCTEOSA-N -1 3 328.412 3.439 10 10 EGCEHM O=C(NCc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCCc2[nH]ncc21 ZINC000377087761 458458346 /nfs/dbraw/zinc/45/83/46/458458346.db2.gz BWJPVYBFHNTVNN-SNVBAGLBSA-N -1 3 340.210 3.158 10 10 EGCEHM O=C(NCc1cc(F)cc(Br)c1)c1cc([O-])cs1 ZINC000732275598 575252974 /nfs/dbraw/zinc/25/29/74/575252974.db2.gz MRTXNFHOQCRRBH-UHFFFAOYSA-N -1 3 330.178 3.285 10 10 EGCEHM C[C@@H]1CN(Cc2cc(Cl)cc(Br)c2[O-])C[C@H](C)N1C ZINC000708141928 1298236950 /nfs/dbraw/zinc/23/69/50/1298236950.db2.gz XIHUSZAQIRLLKO-AOOOYVTPSA-N -1 3 347.684 3.333 10 10 EGCEHM CN1CCCc2cc(NC(=O)NCc3c([O-])cccc3F)ccc21 ZINC000929964301 1328751198 /nfs/dbraw/zinc/75/11/98/1328751198.db2.gz NTSAYPQSDRMBAZ-UHFFFAOYSA-N -1 3 329.375 3.235 10 10 EGCEHM CCOc1cccc([C@@H](C)NC(=O)NCc2c([O-])cccc2F)c1 ZINC000915218231 1319447300 /nfs/dbraw/zinc/44/73/00/1319447300.db2.gz UEVFTTQNHLAZHT-GFCCVEGCSA-N -1 3 332.375 3.490 10 10 EGCEHM CCC(CC)[C@@H]1C[C@@H](NC(=O)NCc2c([O-])cccc2F)CCO1 ZINC000921841501 1322410481 /nfs/dbraw/zinc/41/04/81/1322410481.db2.gz SXBNYDJHWJUGLF-GUYCJALGSA-N -1 3 338.423 3.314 10 10 EGCEHM C[C@@H](CCCc1cccnc1)NC(=O)NCc1c([O-])cccc1F ZINC000922831530 1322628234 /nfs/dbraw/zinc/62/82/34/1322628234.db2.gz JLESTMNEJSGJHM-ZDUSSCGKSA-N -1 3 331.391 3.137 10 10 EGCEHM COc1ccccc1CC(C)(C)C(=O)NCc1c([O-])cccc1F ZINC000928706107 1328403214 /nfs/dbraw/zinc/40/32/14/1328403214.db2.gz QKDWAWFJQNWNBO-UHFFFAOYSA-N -1 3 331.387 3.425 10 10 EGCEHM O=C(C[C@@H]1CCc2sccc2C1=O)NCc1c([O-])cccc1F ZINC000928710268 1328405692 /nfs/dbraw/zinc/40/56/92/1328405692.db2.gz SBZQGCIXJZPLJA-JTQLQIEISA-N -1 3 333.384 3.044 10 10 EGCEHM CCc1ccc(C(=O)CCC(=O)NCc2c([O-])cccc2F)cc1 ZINC000928709860 1328405711 /nfs/dbraw/zinc/40/57/11/1328405711.db2.gz MPKMTXAWOWHYNC-UHFFFAOYSA-N -1 3 329.371 3.373 10 10 EGCEHM CC[C@H](Nc1cccnc1Cl)C(=O)NCc1c([O-])cccc1F ZINC000928711256 1328407086 /nfs/dbraw/zinc/40/70/86/1328407086.db2.gz MHUVRNOVGVJDSG-LBPRGKRZSA-N -1 3 337.782 3.087 10 10 EGCEHM Cn1cc(C(F)F)c(CNCc2c([O-])cccc2Br)n1 ZINC000865807251 1329740562 /nfs/dbraw/zinc/74/05/62/1329740562.db2.gz PTOYQBRSEMJQBE-UHFFFAOYSA-N -1 3 346.175 3.116 10 10 EGCEHM CC[C@](O)(C(=O)NCc1c([O-])cccc1F)c1cccc(Cl)c1 ZINC001156171036 1380535258 /nfs/dbraw/zinc/53/52/58/1380535258.db2.gz WKFVWSMKPVJTGW-QGZVFWFLSA-N -1 3 337.778 3.099 10 10 EGCEHM Cc1cc(Cl)ccc1OCCCNC(=O)c1cccc(O)c1[O-] ZINC001292087136 1382168065 /nfs/dbraw/zinc/16/80/65/1382168065.db2.gz IYLCRNYWSBBTML-UHFFFAOYSA-N -1 3 335.787 3.259 10 10 EGCEHM O=C(COc1ccc2ccccc2c1)NCc1c([O-])cccc1F ZINC001178410282 1386209154 /nfs/dbraw/zinc/20/91/54/1386209154.db2.gz PCPVJYXNYZTFQF-UHFFFAOYSA-N -1 3 325.339 3.380 10 10 EGCEHM O=C1c2ccccc2N[C@@H](c2cc(O)c([O-])c(Cl)c2)N1C1CC1 ZINC000007364410 210789114 /nfs/dbraw/zinc/78/91/14/210789114.db2.gz XEERWWMTHDIXGX-MRXNPFEDSA-N -1 3 330.771 3.480 10 10 EGCEHM CCc1noc(C)c1CNCc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000292918155 455767028 /nfs/dbraw/zinc/76/70/28/455767028.db2.gz HXYKTNNDYMIUBS-UHFFFAOYSA-N -1 3 325.752 3.102 10 10 EGCEHM [O-]c1cc(F)c(Cl)cc1CN1CCC[C@](O)(C(F)(F)F)CC1 ZINC000294685635 455824056 /nfs/dbraw/zinc/82/40/56/455824056.db2.gz NEHLCTNNLRUPJR-CYBMUJFWSA-N -1 3 341.732 3.464 10 10 EGCEHM CC(C)C(=O)NC[C@@H]1CCCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000295495496 455850863 /nfs/dbraw/zinc/85/08/63/455850863.db2.gz XZQSXXCBEQZBDC-LBPRGKRZSA-N -1 3 342.842 3.169 10 10 EGCEHM CCOCc1nc([C@@H](C)N[C@@H](C)c2cc(Cl)ccc2[O-])no1 ZINC000290092012 456236988 /nfs/dbraw/zinc/23/69/88/456236988.db2.gz HLYUHCSNFAILJR-VHSXEESVSA-N -1 3 325.796 3.377 10 10 EGCEHM C[C@H](NC(=O)c1cc([O-])cs1)c1ccc(N2CCCC2=O)cc1 ZINC000732278595 575253883 /nfs/dbraw/zinc/25/38/83/575253883.db2.gz CIHVFRIRVANTNS-NSHDSACASA-N -1 3 330.409 3.072 10 10 EGCEHM C[C@@]12COC[C@]1(C)CN(Cc1cc(Br)cc(F)c1[O-])C2 ZINC000895251155 1309258511 /nfs/dbraw/zinc/25/85/11/1309258511.db2.gz HQTYFVXOTUIJDV-GASCZTMLSA-N -1 3 344.224 3.152 10 10 EGCEHM O=[N+]([O-])c1cc(Cl)cc(CN2CC[C@@H](c3nccs3)C2)c1[O-] ZINC000895585124 1309415158 /nfs/dbraw/zinc/41/51/58/1309415158.db2.gz WNBMQXMUGBVNTF-SECBINFHSA-N -1 3 339.804 3.400 10 10 EGCEHM CCN(Cc1nn(C)cc1C)Cc1cc(Br)ccc1[O-] ZINC000929755870 1328688044 /nfs/dbraw/zinc/68/80/44/1328688044.db2.gz SJPMRVMBBJMPJW-UHFFFAOYSA-N -1 3 338.249 3.219 10 10 EGCEHM CC[C@@H](N[C@H](CO)c1ccnn1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000858434760 1328761473 /nfs/dbraw/zinc/76/14/73/1328761473.db2.gz OREIUOAOVRDTQH-VXGBXAGGSA-N -1 3 344.242 3.207 10 10 EGCEHM COc1ccc(OC)c([C@H](C)NC(=O)NCc2c([O-])cccc2F)c1 ZINC000913930049 1319181585 /nfs/dbraw/zinc/18/15/85/1319181585.db2.gz MFHGPMUXUFHYRX-NSHDSACASA-N -1 3 348.374 3.109 10 10 EGCEHM O=C(NCc1c([O-])cccc1F)N[C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000921767584 1322395404 /nfs/dbraw/zinc/39/54/04/1322395404.db2.gz QNNRTWQVVSMGQA-KDOFPFPSSA-N -1 3 344.386 3.108 10 10 EGCEHM CCO[C@@H](CNC(=O)NCc1c([O-])cccc1F)c1ccccc1 ZINC000922218328 1322480651 /nfs/dbraw/zinc/48/06/51/1322480651.db2.gz ILLPILDDBYRNSI-KRWDZBQOSA-N -1 3 332.375 3.108 10 10 EGCEHM Cc1ccc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)c([O-])c1O ZINC001164134038 1383159751 /nfs/dbraw/zinc/15/97/51/1383159751.db2.gz CVSFGYJVNYWGDC-UHFFFAOYSA-N -1 3 343.770 3.498 10 10 EGCEHM [O-]c1c(Cl)cc(Cl)cc1CN1CCC(n2cncn2)CC1 ZINC000092647911 454599609 /nfs/dbraw/zinc/59/96/09/454599609.db2.gz TXQVKWGBWLZPQL-UHFFFAOYSA-N -1 3 327.215 3.128 10 10 EGCEHM CCn1cc([C@H]2CN(Cc3c([O-])ccc4ccccc43)CCO2)cn1 ZINC000189848226 455245905 /nfs/dbraw/zinc/24/59/05/455245905.db2.gz RJUOSRSOPPUROR-HXUWFJFHSA-N -1 3 337.423 3.335 10 10 EGCEHM Cc1occc1C(=O)NC1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000130969744 454228811 /nfs/dbraw/zinc/22/88/11/454228811.db2.gz JAYCITXOHQNTOD-UHFFFAOYSA-N -1 3 348.830 3.341 10 10 EGCEHM [O-]c1cc(F)c(Cl)cc1CN1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000293841917 455797815 /nfs/dbraw/zinc/79/78/15/455797815.db2.gz HEJBEYWHIJYUNH-LLVKDONJSA-N -1 3 330.190 3.482 10 10 EGCEHM O=C1CCCCN1C1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000295264144 455843795 /nfs/dbraw/zinc/84/37/95/455843795.db2.gz HCBLVQXYQNHESF-UHFFFAOYSA-N -1 3 340.826 3.162 10 10 EGCEHM COc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)ccc1O ZINC000280509480 455987022 /nfs/dbraw/zinc/98/70/22/455987022.db2.gz DPBPTAFGCPTANN-UHFFFAOYSA-N -1 3 333.409 3.080 10 10 EGCEHM [O-]c1cc2c(cc1CN1CCCC[C@H]1c1noc(C3CC3)n1)OCO2 ZINC000362367811 458128858 /nfs/dbraw/zinc/12/88/58/458128858.db2.gz AWQNCQBHKWQQRN-ZDUSSCGKSA-N -1 3 343.383 3.109 10 10 EGCEHM Cc1ccc(C(=O)N[C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)c([O-])c1O ZINC000529673352 459833699 /nfs/dbraw/zinc/83/36/99/459833699.db2.gz CUGJVTUZLUHRIT-QLFBSQMISA-N -1 3 329.783 3.128 10 10 EGCEHM Cc1ccc(C(=O)C2CCN(C(=O)c3cccc(O)c3[O-])CC2)cc1 ZINC000366884548 547784532 /nfs/dbraw/zinc/78/45/32/547784532.db2.gz MVQZJWHCTGBBFI-UHFFFAOYSA-N -1 3 339.391 3.141 10 10 EGCEHM CC[C@H](NC(=O)NCc1c([O-])cccc1F)c1ccccc1OC ZINC000914095115 1319233356 /nfs/dbraw/zinc/23/33/56/1319233356.db2.gz PVHUMZVIRHMVOD-HNNXBMFYSA-N -1 3 332.375 3.490 10 10 EGCEHM CC1(C)CCc2onc(CNC(=O)NCc3c([O-])cccc3F)c2C1 ZINC000923981348 1322864161 /nfs/dbraw/zinc/86/41/61/1322864161.db2.gz NMZZBBPDOUHBAM-UHFFFAOYSA-N -1 3 347.390 3.034 10 10 EGCEHM O=C(NCc1c([O-])cccc1F)[C@H]1[C@@H]2c3ccc(Cl)cc3C[C@H]12 ZINC000928710952 1328406353 /nfs/dbraw/zinc/40/63/53/1328406353.db2.gz YLAAGZIPUQKKEA-JCURWCKSSA-N -1 3 331.774 3.387 10 10 EGCEHM O=C(NCc1c([O-])cccc1F)Nc1ccc(O[C@H]2CCOC2)cc1 ZINC001341208323 1390455857 /nfs/dbraw/zinc/45/58/57/1390455857.db2.gz XTBKAGXSALWBOB-AWEZNQCLSA-N -1 3 346.358 3.021 10 10 EGCEHM CC(=O)c1cc(F)cc(CN2CCO[C@H](c3cccc(O)c3)C2)c1[O-] ZINC000127152490 454942466 /nfs/dbraw/zinc/94/24/66/454942466.db2.gz HHGSXZMQQSMPID-SFHVURJKSA-N -1 3 345.370 3.013 10 10 EGCEHM Cc1nc(-c2cccc(NC(=O)c3ccc(C)c(O)c3[O-])c2)no1 ZINC000179455186 455049360 /nfs/dbraw/zinc/04/93/60/455049360.db2.gz COEIIAPEGJDJAK-UHFFFAOYSA-N -1 3 325.324 3.017 10 10 EGCEHM Cc1csc([C@@H]2CCCN(C(=O)c3ccc(C)c(O)c3[O-])C2)n1 ZINC000179523457 455054771 /nfs/dbraw/zinc/05/47/71/455054771.db2.gz NYIBTYGJMBHIKF-GFCCVEGCSA-N -1 3 332.425 3.191 10 10 EGCEHM Cc1ccc(C(=O)N2C[C@@H](c3ccccc3)OC[C@H]2C)c([O-])c1O ZINC000182312304 455485623 /nfs/dbraw/zinc/48/56/23/455485623.db2.gz GSFONTUBVZKJHH-CJNGLKHVSA-N -1 3 327.380 3.008 10 10 EGCEHM Cc1ccc(C(=O)N2C[C@H](c3ccccc3)OC[C@@H]2C)c([O-])c1O ZINC000182312241 455485713 /nfs/dbraw/zinc/48/57/13/455485713.db2.gz GSFONTUBVZKJHH-XJKSGUPXSA-N -1 3 327.380 3.008 10 10 EGCEHM Cc1ccc(C(=O)N2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)c([O-])c1O ZINC000182505427 455527917 /nfs/dbraw/zinc/52/79/17/455527917.db2.gz OWNVDRBCPZFEOG-LRDDRELGSA-N -1 3 345.370 3.148 10 10 EGCEHM C[C@H](NCc1ccnc(OC(F)F)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000284198351 455649465 /nfs/dbraw/zinc/64/94/65/455649465.db2.gz BOERUNACIGVREV-VIFPVBQESA-N -1 3 339.298 3.148 10 10 EGCEHM Cc1nccn1-c1ccc([C@H](C)NC(=O)c2cccc(O)c2[O-])cc1 ZINC000193129128 455744428 /nfs/dbraw/zinc/74/44/28/455744428.db2.gz HNZRLPOPCMJXPC-LBPRGKRZSA-N -1 3 337.379 3.083 10 10 EGCEHM COc1c([O-])c(CN2CC[C@@H](CC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000278431886 455836295 /nfs/dbraw/zinc/83/62/95/455836295.db2.gz UBOBLUCPYYNYIN-VIFPVBQESA-N -1 3 334.294 3.083 10 10 EGCEHM C[C@H](N[C@H]1CCN(Cc2ccc(F)cc2)C1=O)c1ccc(F)cc1[O-] ZINC000189047635 456211329 /nfs/dbraw/zinc/21/13/29/456211329.db2.gz PRHVTORVMMDOHG-SJCJKPOMSA-N -1 3 346.377 3.122 10 10 EGCEHM C[C@@H](N[C@@H](C)c1ccc2c(c1)OCCO2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273388035 456226629 /nfs/dbraw/zinc/22/66/29/456226629.db2.gz KBRPMPUSRDFIOQ-NWDGAFQWSA-N -1 3 344.367 3.483 10 10 EGCEHM O=C(c1cc([O-])cs1)N1CCc2cccc(Br)c2C1 ZINC000735703827 575702096 /nfs/dbraw/zinc/70/20/96/575702096.db2.gz LQMYOKCHSXBLCW-UHFFFAOYSA-N -1 3 338.226 3.415 10 10 EGCEHM CC(C)(C)OC(=O)c1ccc(CNC(=O)c2cc([O-])cs2)cc1 ZINC000743753693 576815456 /nfs/dbraw/zinc/81/54/56/576815456.db2.gz UZUNSRBFQSYWFE-UHFFFAOYSA-N -1 3 333.409 3.339 10 10 EGCEHM CCOc1ccc([C@H](C)NC(=O)NCc2c([O-])cccc2F)cc1 ZINC000913973248 1319199534 /nfs/dbraw/zinc/19/95/34/1319199534.db2.gz HZUOQFPKQZPQAR-LBPRGKRZSA-N -1 3 332.375 3.490 10 10 EGCEHM O=C(NCc1cccc(OC2CC2)c1F)NCc1c([O-])cccc1F ZINC000923257367 1322719834 /nfs/dbraw/zinc/71/98/34/1322719834.db2.gz VUBWCZKHORYAHH-UHFFFAOYSA-N -1 3 348.349 3.211 10 10 EGCEHM CCOC(=O)c1cc(CN[C@@H](CC)c2cccc(Cl)c2[O-])on1 ZINC000866517233 1330121023 /nfs/dbraw/zinc/12/10/23/1330121023.db2.gz YSCQAFJGJUBCQW-ZDUSSCGKSA-N -1 3 338.791 3.451 10 10 EGCEHM CSc1ccc([O-])c(C(=O)NCc2ccc(N(C)C)cc2C)c1 ZINC001136742883 1377419027 /nfs/dbraw/zinc/41/90/27/1377419027.db2.gz CAQSTSCODGLTLB-UHFFFAOYSA-N -1 3 330.453 3.419 10 10 EGCEHM O=C(C1CCN(Cc2cc(Cl)ccc2[O-])CC1)N1CCCCC1 ZINC000162644959 454789928 /nfs/dbraw/zinc/78/99/28/454789928.db2.gz JORJQWAJIHVXPF-UHFFFAOYSA-N -1 3 336.863 3.270 10 10 EGCEHM Cc1cc(Cl)cc(CN2CCN(Cc3cccnc3)CC2)c1[O-] ZINC000182055373 455425118 /nfs/dbraw/zinc/42/51/18/455425118.db2.gz DULCUOXLKMJFGW-UHFFFAOYSA-N -1 3 331.847 3.067 10 10 EGCEHM CC1([C@H]2CCCN(Cc3cc(Cl)c(F)cc3[O-])C2)OCCO1 ZINC000293499445 455789140 /nfs/dbraw/zinc/78/91/40/455789140.db2.gz BJNJMAPERCBAHU-LBPRGKRZSA-N -1 3 329.799 3.160 10 10 EGCEHM COCC(=O)N1CCc2c1cccc2N[C@H](C)c1cc(F)ccc1[O-] ZINC000186604441 455804428 /nfs/dbraw/zinc/80/44/28/455804428.db2.gz AYBRXUVMYYJAOJ-GFCCVEGCSA-N -1 3 344.386 3.240 10 10 EGCEHM [O-]c1cc(F)c(Cl)cc1CN1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000295406946 455848139 /nfs/dbraw/zinc/84/81/39/455848139.db2.gz RGMAVKFJCVJIJC-JQWIXIFHSA-N -1 3 327.705 3.072 10 10 EGCEHM COC(=O)c1ccc([O-])c([C@H](C)Nc2ccc(N3CCCC3)nc2)c1 ZINC000273505163 456235676 /nfs/dbraw/zinc/23/56/76/456235676.db2.gz QVTCDRKJJQGUDZ-ZDUSSCGKSA-N -1 3 341.411 3.347 10 10 EGCEHM Cc1cc(Cl)cc(CN2C[C@@H](C)O[C@]3(CCCOC3)C2)c1[O-] ZINC000373634852 458559311 /nfs/dbraw/zinc/55/93/11/458559311.db2.gz GEFSISIJAOKJIM-CXAGYDPISA-N -1 3 325.836 3.124 10 10 EGCEHM CC(C)O[C@H]1CCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000715819266 1298289556 /nfs/dbraw/zinc/28/95/56/1298289556.db2.gz VDWBVSYOQFEDAK-LBPRGKRZSA-N -1 3 332.213 3.293 10 10 EGCEHM CC(=O)c1cc(F)cc(CN2CC[C@H](C(F)(F)F)O[C@H](C)C2)c1[O-] ZINC000880056813 1300904825 /nfs/dbraw/zinc/90/48/25/1300904825.db2.gz KVRJXUKUMFLEAL-YMTOWFKASA-N -1 3 349.324 3.276 10 10 EGCEHM Cc1csc([C@H](NC(=O)NCc2c([O-])cccc2F)C2CC2)n1 ZINC000920494038 1322184965 /nfs/dbraw/zinc/18/49/65/1322184965.db2.gz AKZFLMIWVCIKFI-CQSZACIVSA-N -1 3 335.404 3.247 10 10 EGCEHM O=C(NCc1c([O-])cccc1F)NC1CCC2(CC2(F)F)CC1 ZINC000923313257 1322731294 /nfs/dbraw/zinc/73/12/94/1322731294.db2.gz RGGQZRSYFKWZND-UHFFFAOYSA-N -1 3 328.334 3.299 10 10 EGCEHM O=C(NCc1c([O-])cccc1F)NC[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000923909983 1322844126 /nfs/dbraw/zinc/84/41/26/1322844126.db2.gz XAAKQDWSNHSTDR-CMPLNLGQSA-N -1 3 346.324 3.475 10 10 EGCEHM CCCc1c(C(=O)NCc2c([O-])cccc2F)[nH]c(C)c1C(C)=O ZINC000928711533 1328407073 /nfs/dbraw/zinc/40/70/73/1328407073.db2.gz ILMSAUSADDBWIM-UHFFFAOYSA-N -1 3 332.375 3.253 10 10 EGCEHM C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)NCc2c([O-])cccc2F)cc1 ZINC000928712015 1328407270 /nfs/dbraw/zinc/40/72/70/1328407270.db2.gz NCNAWNUYAXTUBS-FZMZJTMJSA-N -1 3 342.370 3.056 10 10 EGCEHM O=[N+]([O-])c1cnc(NCc2c([O-])cccc2F)c(C(F)(F)F)c1 ZINC001164185600 1383164200 /nfs/dbraw/zinc/16/42/00/1383164200.db2.gz NBXNGNYOUCRIPE-UHFFFAOYSA-N -1 3 331.225 3.465 10 10 EGCEHM O=C(NCc1c([O-])cccc1F)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001178413471 1386210342 /nfs/dbraw/zinc/21/03/42/1386210342.db2.gz SLPZCWIOVCRDHV-UHFFFAOYSA-N -1 3 342.685 3.162 10 10 EGCEHM CC[C@H](NCc1ccnc(C)n1)c1cc(Br)ccc1[O-] ZINC000038037433 213195692 /nfs/dbraw/zinc/19/56/92/213195692.db2.gz JYAZJEZJWHLMLX-AWEZNQCLSA-N -1 3 336.233 3.494 10 10 EGCEHM Cc1ccc(C(=O)N2C[C@@H](c3ccccc3)OCC2(C)C)c([O-])c1O ZINC000179475827 455050302 /nfs/dbraw/zinc/05/03/02/455050302.db2.gz UMVXEDRWQYRHMC-INIZCTEOSA-N -1 3 341.407 3.399 10 10 EGCEHM O=C1C[C@@H](c2ccccc2)N(Cc2cccc(Cl)c2[O-])CCN1 ZINC000179784274 455078624 /nfs/dbraw/zinc/07/86/24/455078624.db2.gz OBTIOBBULXRALS-INIZCTEOSA-N -1 3 330.815 3.109 10 10 EGCEHM CC(C)C(=O)N1CCN(Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000264009796 455181749 /nfs/dbraw/zinc/18/17/49/455181749.db2.gz RSZVBTILEMLOAN-UHFFFAOYSA-N -1 3 338.451 3.359 10 10 EGCEHM CCn1cc(C2CCN(Cc3cc(F)cc(C(C)=O)c3[O-])CC2)cn1 ZINC000175618823 455471810 /nfs/dbraw/zinc/47/18/10/455471810.db2.gz NHBPANXJPQVIOA-UHFFFAOYSA-N -1 3 345.418 3.330 10 10 EGCEHM Cc1nnc([C@H](N[C@H](C)c2ccc(F)cc2[O-])c2ccccc2)[nH]1 ZINC000185324384 455539971 /nfs/dbraw/zinc/53/99/71/455539971.db2.gz RXXJLWQCXVNJNG-PIGZYNQJSA-N -1 3 326.375 3.398 10 10 EGCEHM Cc1nc([C@H](N[C@H](C)c2ccc(F)cc2[O-])c2ccccc2)n[nH]1 ZINC000185324384 455539975 /nfs/dbraw/zinc/53/99/75/455539975.db2.gz RXXJLWQCXVNJNG-PIGZYNQJSA-N -1 3 326.375 3.398 10 10 EGCEHM Cc1ccc(C(=O)N2CCC(OCC3CCCC3)CC2)c([O-])c1O ZINC000182576744 455544375 /nfs/dbraw/zinc/54/43/75/455544375.db2.gz OVANRRZYBNMOQS-UHFFFAOYSA-N -1 3 333.428 3.218 10 10 EGCEHM Cc1ccc(C)c([C@H]2CN(C(=O)c3cccc(O)c3[O-])[C@H](C)CO2)c1 ZINC000185742912 455612171 /nfs/dbraw/zinc/61/21/71/455612171.db2.gz NWOJCPZIQQJOJY-RDTXWAMCSA-N -1 3 341.407 3.317 10 10 EGCEHM CC(C)(CO)[C@H](NCc1cc(Cl)c(F)cc1[O-])c1cccnc1 ZINC000293518554 455788705 /nfs/dbraw/zinc/78/87/05/455788705.db2.gz ATRADJYIMRWDOV-MRXNPFEDSA-N -1 3 338.810 3.429 10 10 EGCEHM C[C@H](NCc1cccc(N2CCOCC2)n1)c1cc(Cl)ccc1[O-] ZINC000274753895 456264139 /nfs/dbraw/zinc/26/41/39/456264139.db2.gz BTHKKFPVFOMZQC-ZDUSSCGKSA-N -1 3 347.846 3.128 10 10 EGCEHM O=C(c1cccc(O)c1[O-])N1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000290691213 456407020 /nfs/dbraw/zinc/40/70/20/456407020.db2.gz PVCJHLKZFWNQAB-CYBMUJFWSA-N -1 3 343.383 3.116 10 10 EGCEHM O=C1C[C@H]([C@H]2CCCCN2Cc2cc(Cl)cc(Cl)c2[O-])CN1 ZINC000367542804 457962483 /nfs/dbraw/zinc/96/24/83/457962483.db2.gz SQQRMJHFTZDEAO-IINYFYTJSA-N -1 3 343.254 3.190 10 10 EGCEHM COc1c([O-])c(CN[C@H]2CCCc3nc(C)sc32)ccc1[N+](=O)[O-] ZINC000373209927 458431508 /nfs/dbraw/zinc/43/15/08/458431508.db2.gz XWYFQQBESXWDKD-NSHDSACASA-N -1 3 349.412 3.241 10 10 EGCEHM CC[C@@H](NCc1cnn(CC)n1)c1cc(Br)ccc1[O-] ZINC000527921946 459772477 /nfs/dbraw/zinc/77/24/77/459772477.db2.gz ALXNLMSHLZAPQP-CYBMUJFWSA-N -1 3 339.237 3.007 10 10 EGCEHM O=[N+]([O-])c1cc(Cl)cc(CN2CC[C@H](c3nccs3)C2)c1[O-] ZINC000895585126 1309415239 /nfs/dbraw/zinc/41/52/39/1309415239.db2.gz WNBMQXMUGBVNTF-VIFPVBQESA-N -1 3 339.804 3.400 10 10 EGCEHM Cc1cc(C(=O)NCc2c([O-])cccc2F)c(C)n1[C@H]1CCCOC1 ZINC000928709686 1328406255 /nfs/dbraw/zinc/40/62/55/1328406255.db2.gz LCAMZARUWRVQDO-AWEZNQCLSA-N -1 3 346.402 3.231 10 10 EGCEHM Cc1ccc(C(=O)Nc2cnn([C@@H](C)c3ccccc3)c2)c([O-])c1O ZINC001142860518 1378497512 /nfs/dbraw/zinc/49/75/12/1378497512.db2.gz FPPYYVNIVJMCMC-ZDUSSCGKSA-N -1 3 337.379 3.464 10 10 EGCEHM CCc1ccc(C(=O)N(C)CCN(C)c2ccc(OC)cc2)c([O-])c1 ZINC001144868068 1378777768 /nfs/dbraw/zinc/77/77/68/1378777768.db2.gz LDDLBRMLJGCLCZ-UHFFFAOYSA-N -1 3 342.439 3.172 10 10 EGCEHM [O-]c1c(CN2CCN(Cc3ccccc3)CC2)ccc2cccnc21 ZINC000022884708 212331682 /nfs/dbraw/zinc/33/16/82/212331682.db2.gz PWSBESQKEQTQNB-UHFFFAOYSA-N -1 3 333.435 3.258 10 10 EGCEHM O=[N+]([O-])c1ccc([O-])c(CN[C@H](c2ccc(F)cc2)[C@H]2CCCO2)c1 ZINC000089782876 454198441 /nfs/dbraw/zinc/19/84/41/454198441.db2.gz QDYJQBCDOKCQII-QZTJIDSGSA-N -1 3 346.358 3.449 10 10 EGCEHM CC(C)(C[C@@H]1CCCN(Cc2cc(Cl)c(F)cc2[O-])C1)C(N)=O ZINC000294762747 455826438 /nfs/dbraw/zinc/82/64/38/455826438.db2.gz JGTDYDCMNFAGLK-NSHDSACASA-N -1 3 342.842 3.298 10 10 EGCEHM CCc1nc([C@H]2CCCCN2Cc2cc(F)cc(C(C)=O)c2[O-])no1 ZINC000364187863 457517629 /nfs/dbraw/zinc/51/76/29/457517629.db2.gz BRSQEEXLASPWQE-OAHLLOKOSA-N -1 3 347.390 3.407 10 10 EGCEHM Cc1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCO3)c([O-])c1O ZINC000375872200 458103674 /nfs/dbraw/zinc/10/36/74/458103674.db2.gz FAIYWCPTJVJUCK-CQSZACIVSA-N -1 3 341.363 3.112 10 10 EGCEHM COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2cc([O-])cs2)c1 ZINC000731867696 575216160 /nfs/dbraw/zinc/21/61/60/575216160.db2.gz QBZQHMAMLXCJLE-AWEZNQCLSA-N -1 3 333.409 3.448 10 10 EGCEHM COc1ccc(-c2cnc(COC(=O)c3cc([O-])cs3)o2)cc1 ZINC000732355128 575262089 /nfs/dbraw/zinc/26/20/89/575262089.db2.gz DOKLDNGGOASWGC-UHFFFAOYSA-N -1 3 331.349 3.474 10 10 EGCEHM CCN1CCN(Cc2cc(Cl)cc(Br)c2[O-])C[C@H]1C ZINC000708141611 1298237174 /nfs/dbraw/zinc/23/71/74/1298237174.db2.gz SVQAAVPYFOESMA-SNVBAGLBSA-N -1 3 347.684 3.334 10 10 EGCEHM O=C(NCc1c([O-])cccc1F)N[C@H]1CCCOc2ccc(F)cc21 ZINC000914335488 1319299524 /nfs/dbraw/zinc/29/95/24/1319299524.db2.gz IETWGOQPINEXDJ-HNNXBMFYSA-N -1 3 348.349 3.384 10 10 EGCEHM O=C(NCc1c([O-])cccc1F)N[C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]12 ZINC000923397519 1322745212 /nfs/dbraw/zinc/74/52/12/1322745212.db2.gz MGUHNANCDFSZBF-JCURWCKSSA-N -1 3 346.789 3.322 10 10 EGCEHM O=C(NCc1c([O-])cccc1F)N[C@@H]1[C@H]2Cc3c(cccc3Cl)[C@@H]12 ZINC000923456850 1322755099 /nfs/dbraw/zinc/75/50/99/1322755099.db2.gz ZNLMPPRREJCAKZ-YMRXKLBXSA-N -1 3 346.789 3.322 10 10 EGCEHM COc1ccc(OC(C)(C)C(=O)NCc2c([O-])cccc2F)cc1 ZINC000928706344 1328403244 /nfs/dbraw/zinc/40/32/44/1328403244.db2.gz QTEDNPIOICUILV-UHFFFAOYSA-N -1 3 333.359 3.014 10 10 EGCEHM C[C@H](CNC(=O)NCc1c([O-])cccc1F)c1ccccc1[N+](=O)[O-] ZINC001313350270 1384412444 /nfs/dbraw/zinc/41/24/44/1384412444.db2.gz CWJFZOJDAMPMOO-LLVKDONJSA-N -1 3 347.346 3.042 10 10 EGCEHM O=C(CNc1cccc(C(F)(F)F)c1)NCc1c([O-])cccc1F ZINC001178413213 1386210483 /nfs/dbraw/zinc/21/04/83/1386210483.db2.gz OSWCZSXHNMLNPM-UHFFFAOYSA-N -1 3 342.292 3.278 10 10 EGCEHM Cc1cc(NC(=O)C2CCN(Cc3cccc(Cl)c3[O-])CC2)no1 ZINC000179645576 455063816 /nfs/dbraw/zinc/06/38/16/455063816.db2.gz VAZDBDMDSNNXRS-UHFFFAOYSA-N -1 3 349.818 3.193 10 10 EGCEHM [O-]c1c(Cl)cc(Cl)cc1CN1CCC[C@@H](Cn2cncn2)C1 ZINC000128532730 455065108 /nfs/dbraw/zinc/06/51/08/455065108.db2.gz JQBRNSUBPCSGPC-LLVKDONJSA-N -1 3 341.242 3.203 10 10 EGCEHM Cc1cc(NC(=O)C2CCN(Cc3cc(Cl)ccc3[O-])CC2)no1 ZINC000179856028 455089162 /nfs/dbraw/zinc/08/91/62/455089162.db2.gz FNVBDTDEUFGKPX-UHFFFAOYSA-N -1 3 349.818 3.193 10 10 EGCEHM CC(=O)c1cc(F)cc(CN2CCO[C@H](c3ccc(C)o3)C2)c1[O-] ZINC000158967362 455341643 /nfs/dbraw/zinc/34/16/43/455341643.db2.gz XVEGKFZTJKKHLV-KRWDZBQOSA-N -1 3 333.359 3.209 10 10 EGCEHM CCOC(=O)[C@H](NCc1cc(Cl)cc(C)c1[O-])c1cccc(O)c1 ZINC000191517405 455492748 /nfs/dbraw/zinc/49/27/48/455492748.db2.gz VCGVWSLQYAFEKR-MRXNPFEDSA-N -1 3 349.814 3.454 10 10 EGCEHM C[C@@H](NCc1cc(Cl)c(F)cc1[O-])C(=O)N1CCCC[C@@H]1C ZINC000294410552 455815234 /nfs/dbraw/zinc/81/52/34/455815234.db2.gz WKKKFRINJJUXLL-WDEREUQCSA-N -1 3 328.815 3.064 10 10 EGCEHM CC(=O)c1cc(F)cc(CN2CCC3(C2)Oc2ccccc2O3)c1[O-] ZINC000289057866 456112920 /nfs/dbraw/zinc/11/29/20/456112920.db2.gz QXSLSDMMWPZQPX-UHFFFAOYSA-N -1 3 343.354 3.107 10 10 EGCEHM CCN(CC)c1ccc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cn1 ZINC000273415952 456228273 /nfs/dbraw/zinc/22/82/73/456228273.db2.gz QYADXNRTBJUNQA-ZDUSSCGKSA-N -1 3 344.415 3.392 10 10 EGCEHM CC[C@H]1CN(Cc2cc(Cl)cc(C)c2[O-])C[C@]2(CCOC2)O1 ZINC000373484803 458506703 /nfs/dbraw/zinc/50/67/03/458506703.db2.gz YDOYLCVEKJNDPN-RDJZCZTQSA-N -1 3 325.836 3.124 10 10 EGCEHM [O-]c1c(F)cc(Br)cc1CN1CC(C2CCOCC2)C1 ZINC000894665469 1309012375 /nfs/dbraw/zinc/01/23/75/1309012375.db2.gz BOQZTGCFQKRZKA-UHFFFAOYSA-N -1 3 344.224 3.152 10 10 EGCEHM CC[C@H](N[C@@H]1c2ccccc2CN(C)C1=O)c1ccc(F)cc1[O-] ZINC000857877542 1328612613 /nfs/dbraw/zinc/61/26/13/1328612613.db2.gz OUEZNSJOKDMCFB-FUHWJXTLSA-N -1 3 328.387 3.285 10 10 EGCEHM Cc1nc2c(s1)[C@@H](NC(=O)NCc1c([O-])cccc1F)CCC2 ZINC000921867203 1322415374 /nfs/dbraw/zinc/41/53/74/1322415374.db2.gz WDHQBRCDPLDITH-ZDUSSCGKSA-N -1 3 335.404 3.173 10 10 EGCEHM CC(C)n1cc2c(n1)[C@@H](NC(=O)NCc1c([O-])cccc1F)CCC2 ZINC000921997039 1322436782 /nfs/dbraw/zinc/43/67/82/1322436782.db2.gz PHKYAVZFBGHKFN-HNNXBMFYSA-N -1 3 346.406 3.186 10 10 EGCEHM CSCC1CCC(NC(=O)NCc2c([O-])cccc2F)CC1 ZINC000922678423 1322587135 /nfs/dbraw/zinc/58/71/35/1322587135.db2.gz JYBOEJSFACEZEY-UHFFFAOYSA-N -1 3 326.437 3.252 10 10 EGCEHM COc1ccc(C(=O)C[C@@H](C)C(=O)NCc2c([O-])cccc2F)cc1 ZINC000928707735 1328405225 /nfs/dbraw/zinc/40/52/25/1328405225.db2.gz HKVGETINNGGFOU-GFCCVEGCSA-N -1 3 345.370 3.065 10 10 EGCEHM O=C(NCc1c([O-])cccc1F)C1(c2cccc(F)c2)CCOCC1 ZINC000928712603 1328407185 /nfs/dbraw/zinc/40/71/85/1328407185.db2.gz ULPNUDXQBFNJBC-UHFFFAOYSA-N -1 3 347.361 3.035 10 10 EGCEHM COCc1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1OC ZINC000862536625 1329494005 /nfs/dbraw/zinc/49/40/05/1329494005.db2.gz LCAKWFWVEZKCCH-UHFFFAOYSA-N -1 3 348.355 3.076 10 10 EGCEHM Cc1cc(C2(NCc3cc(Cl)cc(F)c3[O-])CCOCC2)on1 ZINC000862542547 1329494698 /nfs/dbraw/zinc/49/46/98/1329494698.db2.gz SGLOOPRVUUUJJZ-UHFFFAOYSA-N -1 3 340.782 3.277 10 10 EGCEHM CC(C)n1ncc2c1[C@H](NC(=O)NCc1c([O-])cccc1F)CCC2 ZINC001119613372 1371375393 /nfs/dbraw/zinc/37/53/93/1371375393.db2.gz HHQKNGGCHIYQIS-OAHLLOKOSA-N -1 3 346.406 3.186 10 10 EGCEHM O=C(Nc1ccn(-c2ccc(Cl)cc2)n1)c1cccc(O)c1[O-] ZINC001144260556 1378706541 /nfs/dbraw/zinc/70/65/41/1378706541.db2.gz OLHKNZNYBRRZMT-UHFFFAOYSA-N -1 3 329.743 3.189 10 10 EGCEHM COc1ccccc1-c1cc(NC(=O)c2ccc(C)c(O)c2[O-])n[nH]1 ZINC001153765767 1380125485 /nfs/dbraw/zinc/12/54/85/1380125485.db2.gz PXKWFLFPMFCRPZ-UHFFFAOYSA-N -1 3 339.351 3.057 10 10 EGCEHM CC(=O)c1cc(F)cc(CN2CC[C@H](C)[C@H](n3ccnc3)C2)c1[O-] ZINC000245609823 455339859 /nfs/dbraw/zinc/33/98/59/455339859.db2.gz NYGVZZAQFFFWRG-YVEFUNNKSA-N -1 3 331.391 3.014 10 10 EGCEHM COc1cc(Cl)cc(CN2CCO[C@@H](c3cccc(O)c3)C2)c1[O-] ZINC000184694994 455429404 /nfs/dbraw/zinc/42/94/04/455429404.db2.gz AYRSXKGJDLTVNX-QGZVFWFLSA-N -1 3 349.814 3.333 10 10 EGCEHM CC(=O)c1cc(Cl)cc(CN2CCCC[C@H]2c2nc[nH]n2)c1[O-] ZINC000182714483 455573667 /nfs/dbraw/zinc/57/36/67/455573667.db2.gz NPUODFCKEHXRMP-AWEZNQCLSA-N -1 3 334.807 3.094 10 10 EGCEHM CC(=O)c1cc(Cl)cc(CN2CCCC[C@H]2c2nnc[nH]2)c1[O-] ZINC000182714483 455573670 /nfs/dbraw/zinc/57/36/70/455573670.db2.gz NPUODFCKEHXRMP-AWEZNQCLSA-N -1 3 334.807 3.094 10 10 EGCEHM CNC(=O)CC[C@H]1CCCCN1Cc1cc(Cl)c(F)cc1[O-] ZINC000293999073 455802843 /nfs/dbraw/zinc/80/28/43/455802843.db2.gz SRBUKKLXBDQIJZ-GFCCVEGCSA-N -1 3 328.815 3.065 10 10 EGCEHM COc1c([O-])c(CNc2ccc3c(c2)CCCO3)ccc1[N+](=O)[O-] ZINC000278304348 455811568 /nfs/dbraw/zinc/81/15/68/455811568.db2.gz DELWVIABLHXTGK-UHFFFAOYSA-N -1 3 330.340 3.246 10 10 EGCEHM C[C@@H](NCCS(=O)(=O)c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000273301200 456222661 /nfs/dbraw/zinc/22/26/61/456222661.db2.gz BOMCGQJIFQBKPU-GFCCVEGCSA-N -1 3 339.844 3.170 10 10 EGCEHM COc1cc(Cl)cc(CN2CCC3(C2)Oc2ccccc2O3)c1[O-] ZINC000290222450 456270028 /nfs/dbraw/zinc/27/00/28/456270028.db2.gz RTOOFCVOZSIMMS-UHFFFAOYSA-N -1 3 347.798 3.428 10 10 EGCEHM Cc1cc(F)cc([C@]2(F)CCN(C(=O)c3cccc(O)c3[O-])C2)c1 ZINC000374472430 457637200 /nfs/dbraw/zinc/63/72/00/457637200.db2.gz QMJOOLJXNATAPO-SFHVURJKSA-N -1 3 333.334 3.256 10 10 EGCEHM Cc1ccc(C(=O)Nc2ccc(F)cc2-c2cnn(C)c2)c([O-])c1O ZINC000373626310 458557199 /nfs/dbraw/zinc/55/71/99/458557199.db2.gz TXTNDFKDDTZBOL-UHFFFAOYSA-N -1 3 341.342 3.198 10 10 EGCEHM CCc1cccc(CC)c1NC(=O)COC(=O)c1cc([O-])cs1 ZINC000731910188 575218593 /nfs/dbraw/zinc/21/85/93/575218593.db2.gz NQYQVJQELALENS-UHFFFAOYSA-N -1 3 333.409 3.374 10 10 EGCEHM [O-]c1c(F)cc(Br)cc1Cn1cnc2c1CCCC2 ZINC000895390613 1309313637 /nfs/dbraw/zinc/31/36/37/1309313637.db2.gz ZWBQJWIWOPGFDG-UHFFFAOYSA-N -1 3 325.181 3.417 10 10 EGCEHM CC(C)(O)[C@@H]1CCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000895476856 1309357979 /nfs/dbraw/zinc/35/79/79/1309357979.db2.gz BZNYJOMTDHUCPM-SNVBAGLBSA-N -1 3 348.668 3.401 10 10 EGCEHM C[C@@H](NCc1c(C(F)(F)F)cnn1C)c1cc(F)cc(F)c1[O-] ZINC000858452278 1328766054 /nfs/dbraw/zinc/76/60/54/1328766054.db2.gz IUQOXWWAJHJEBM-SSDOTTSWSA-N -1 3 335.276 3.274 10 10 EGCEHM O=C(NCc1c([O-])cccc1F)N[C@H]1CCCOc2ccccc21 ZINC000915803178 1319538210 /nfs/dbraw/zinc/53/82/10/1319538210.db2.gz UPEALJQHDHNELC-HNNXBMFYSA-N -1 3 330.359 3.244 10 10 EGCEHM CCOc1ccc(C(=O)NCc2c([O-])cccc2F)cc1OCC ZINC000928709796 1328406217 /nfs/dbraw/zinc/40/62/17/1328406217.db2.gz LTESUWLQRXWZJH-UHFFFAOYSA-N -1 3 333.359 3.259 10 10 EGCEHM Cn1ncc(C(F)(F)F)c1CNCc1cc(Cl)c(F)cc1[O-] ZINC000862436178 1329486875 /nfs/dbraw/zinc/48/68/75/1329486875.db2.gz YXGSXZDSWWZYTG-UHFFFAOYSA-N -1 3 337.704 3.227 10 10 EGCEHM CC(=O)c1cc(Cl)cc(CN2CCC(c3ccn(C)n3)CC2)c1[O-] ZINC000932145285 1329788557 /nfs/dbraw/zinc/78/85/57/1329788557.db2.gz PAFQTWDBIMSNQY-UHFFFAOYSA-N -1 3 347.846 3.361 10 10 EGCEHM O=C(C[C@@H]1CCCN1C(=O)c1cccc(O)c1[O-])c1ccc(F)cc1 ZINC001137688610 1377592080 /nfs/dbraw/zinc/59/20/80/1377592080.db2.gz NDDYJENTKJDMLL-AWEZNQCLSA-N -1 3 343.354 3.115 10 10 EGCEHM CC(C)c1ccc(O[C@H](C)CNC(=O)c2cccc(O)c2[O-])cc1 ZINC001297630296 1383199475 /nfs/dbraw/zinc/19/94/75/1383199475.db2.gz XKNGHFPZEPUAOR-CYBMUJFWSA-N -1 3 329.396 3.419 10 10 EGCEHM Cc1nc(-c2c[nH]c(C(=O)NCc3c([O-])cccc3F)c2)cs1 ZINC001178410072 1386209659 /nfs/dbraw/zinc/20/96/59/1386209659.db2.gz LAJOPRFECPVHDT-UHFFFAOYSA-N -1 3 331.372 3.221 10 10 EGCEHM [O-]c1ccc(F)cc1CN[C@H](c1ncon1)c1ccc(Cl)cc1 ZINC000180897429 455262625 /nfs/dbraw/zinc/26/26/25/455262625.db2.gz FIGUKLNBENRAHV-HNNXBMFYSA-N -1 3 333.750 3.447 10 10 EGCEHM CCCOc1ccc(CN2CCO[C@@H](c3cccc(O)c3)C2)c([O-])c1 ZINC000093457948 454717056 /nfs/dbraw/zinc/71/70/56/454717056.db2.gz KYLPBTADKGLNEO-HXUWFJFHSA-N -1 3 343.423 3.460 10 10 EGCEHM CC(=O)c1cc(F)cc(CN2CCC(C3CCOCC3)CC2)c1[O-] ZINC000153447959 454794554 /nfs/dbraw/zinc/79/45/54/454794554.db2.gz VFRQUTHKBRXXKC-UHFFFAOYSA-N -1 3 335.419 3.373 10 10 EGCEHM Cc1csc([C@H]2CCCN(C(=O)c3ccc(C)c(O)c3[O-])C2)n1 ZINC000179523451 455055231 /nfs/dbraw/zinc/05/52/31/455055231.db2.gz NYIBTYGJMBHIKF-LBPRGKRZSA-N -1 3 332.425 3.191 10 10 EGCEHM Cc1cc(Cl)cc(CN2CCN(Cc3ccncc3)CC2)c1[O-] ZINC000182044102 455423223 /nfs/dbraw/zinc/42/32/23/455423223.db2.gz RETDNBFJVRORNO-UHFFFAOYSA-N -1 3 331.847 3.067 10 10 EGCEHM COc1cc(OC)c(CN[C@@H](C)c2cc(F)ccc2[O-])c(OC)c1 ZINC000185066351 455494732 /nfs/dbraw/zinc/49/47/32/455494732.db2.gz ASZBFCWXVLTKKL-NSHDSACASA-N -1 3 335.375 3.408 10 10 EGCEHM COc1ccc([C@@H]2C[C@H](C)N(C(=O)c3ccc(C)c(O)c3[O-])C2)cc1 ZINC000182479151 455521892 /nfs/dbraw/zinc/52/18/92/455521892.db2.gz XKTCBQOFFMLNHB-DZGCQCFKSA-N -1 3 341.407 3.433 10 10 EGCEHM COc1c([O-])c(CNc2ccc3c(c2)CCCN3C)ccc1[N+](=O)[O-] ZINC000278463869 455836427 /nfs/dbraw/zinc/83/64/27/455836427.db2.gz FRPIKHLWQOKAML-UHFFFAOYSA-N -1 3 343.383 3.304 10 10 EGCEHM CCN(Cc1ccc([N+](=O)[O-])c(OC)c1[O-])[C@H](C)c1cccnc1 ZINC000290658050 456398104 /nfs/dbraw/zinc/39/81/04/456398104.db2.gz ZLFXAGJQFUWKBI-GFCCVEGCSA-N -1 3 331.372 3.287 10 10 EGCEHM [O-]c1ccc(Cl)c(F)c1CN[C@H](c1nnc[nH]1)c1ccccc1 ZINC000366785483 457899745 /nfs/dbraw/zinc/89/97/45/457899745.db2.gz DCSMTIYXKLCJMY-HNNXBMFYSA-N -1 3 332.766 3.182 10 10 EGCEHM O=C(NCc1c([O-])cccc1F)N[C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000922599908 1322567725 /nfs/dbraw/zinc/56/77/25/1322567725.db2.gz BZPMNCJRHRDPSY-MQMHXKEQSA-N -1 3 332.350 3.416 10 10 EGCEHM O=C(NCc1c([O-])cccc1F)N[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC000923397521 1322744858 /nfs/dbraw/zinc/74/48/58/1322744858.db2.gz MGUHNANCDFSZBF-OAUYIBNBSA-N -1 3 346.789 3.322 10 10 EGCEHM O=C(NCc1c([O-])cccc1F)[C@H]1[C@@H]2c3cccc(Cl)c3C[C@H]12 ZINC000928712966 1328407280 /nfs/dbraw/zinc/40/72/80/1328407280.db2.gz YVSJYFOMWSBIBF-YMRXKLBXSA-N -1 3 331.774 3.387 10 10 EGCEHM [O-]c1cccc(Br)c1CN1CCO[C@@H](C2CCC2)C1 ZINC000862391288 1329481445 /nfs/dbraw/zinc/48/14/45/1329481445.db2.gz BLXHJSFBWCPGOX-OAHLLOKOSA-N -1 3 326.234 3.156 10 10 EGCEHM [O-]c1cccc(Br)c1CN1CCO[C@H](C2CCC2)C1 ZINC000862391287 1329481530 /nfs/dbraw/zinc/48/15/30/1329481530.db2.gz BLXHJSFBWCPGOX-HNNXBMFYSA-N -1 3 326.234 3.156 10 10 EGCEHM COC(=O)c1cc2ccccc2c(CN(C)Cc2cscn2)c1[O-] ZINC000063127468 454393590 /nfs/dbraw/zinc/39/35/90/454393590.db2.gz BQGIJHVFVVPUNA-UHFFFAOYSA-N -1 3 342.420 3.421 10 10 EGCEHM CO[C@@H](C)c1noc(CN(C)Cc2c([O-])ccc3ccccc32)n1 ZINC000267113305 455502850 /nfs/dbraw/zinc/50/28/50/455502850.db2.gz RTYQTQUFVGZGHG-LBPRGKRZSA-N -1 3 327.384 3.268 10 10 EGCEHM COc1ccccc1CC1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000187064917 455867776 /nfs/dbraw/zinc/86/77/76/455867776.db2.gz HYCHATJZSTUBHQ-UHFFFAOYSA-N -1 3 341.407 3.201 10 10 EGCEHM CCn1ncc(CN[C@H](CCc2ccccc2)c2ccccc2[O-])n1 ZINC000527925558 459774046 /nfs/dbraw/zinc/77/40/46/459774046.db2.gz VDINBRUCVMOFFH-LJQANCHMSA-N -1 3 336.439 3.467 10 10 EGCEHM COC[C@H]1CCCCN1Cc1cc(Br)cc(F)c1[O-] ZINC000715783895 1298286698 /nfs/dbraw/zinc/28/66/98/1298286698.db2.gz DTNQOYYDLNNVLJ-GFCCVEGCSA-N -1 3 332.213 3.295 10 10 EGCEHM COc1cccc([C@H]2C[C@H](NC(=O)NCc3c([O-])cccc3F)C2)c1 ZINC000922759093 1322612176 /nfs/dbraw/zinc/61/21/76/1322612176.db2.gz LIAWCTKCZHQWMU-HDJSIYSDSA-N -1 3 344.386 3.285 10 10 EGCEHM CSC1CCC(CNC(=O)NCc2c([O-])cccc2F)CC1 ZINC000924304906 1322970746 /nfs/dbraw/zinc/97/07/46/1322970746.db2.gz WZKVFJYVNXRGJV-UHFFFAOYSA-N -1 3 326.437 3.252 10 10 EGCEHM C[C@H](NCc1cc(C(F)(F)F)nn1C)c1cc(F)cc(F)c1[O-] ZINC000926929403 1327781566 /nfs/dbraw/zinc/78/15/66/1327781566.db2.gz WSINYUWQDMHPFK-ZETCQYMHSA-N -1 3 335.276 3.274 10 10 EGCEHM CC(C)Cn1cc(C(=O)NCc2c([O-])cccc2F)c(C(F)F)n1 ZINC000928706860 1328404620 /nfs/dbraw/zinc/40/46/20/1328404620.db2.gz XTBBZNIBNSAZPT-UHFFFAOYSA-N -1 3 341.333 3.251 10 10 EGCEHM O=C(NCc1c([O-])cccc1F)[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC000928710954 1328406131 /nfs/dbraw/zinc/40/61/31/1328406131.db2.gz YLAAGZIPUQKKEA-OAUYIBNBSA-N -1 3 331.774 3.387 10 10 EGCEHM Cc1cc(C(=O)NCc2c([O-])cccc2F)c2cnn(C(C)C)c2n1 ZINC000928710273 1328406387 /nfs/dbraw/zinc/40/63/87/1328406387.db2.gz SFXPFGHOBAMQFK-UHFFFAOYSA-N -1 3 342.374 3.095 10 10 EGCEHM C[C@@](CO)(NCc1cc(Cl)cc(Cl)c1[O-])c1cccc(O)c1 ZINC000862432807 1329486135 /nfs/dbraw/zinc/48/61/35/1329486135.db2.gz OBYFJRUKEYMXFF-INIZCTEOSA-N -1 3 342.222 3.402 10 10 EGCEHM COc1ccc(-c2nc(CN(C)Cc3ccccc3[O-])no2)cc1 ZINC000111235670 454859545 /nfs/dbraw/zinc/85/95/45/454859545.db2.gz KZROHSHRHAYGSW-UHFFFAOYSA-N -1 3 325.368 3.083 10 10 EGCEHM [O-]c1ccc(Cl)c(F)c1CN1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000191536024 455494909 /nfs/dbraw/zinc/49/49/09/455494909.db2.gz ONVWGECJGIPZOO-RYUDHWBXSA-N -1 3 341.835 3.454 10 10 EGCEHM [O-]c1ccc(F)cc1CN1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000180041830 455121053 /nfs/dbraw/zinc/12/10/53/455121053.db2.gz RNCNXEUJGPYYDH-HNNXBMFYSA-N -1 3 330.407 3.186 10 10 EGCEHM C[C@]12CCN(Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])C[C@H]1C2(F)F ZINC000292681934 455730337 /nfs/dbraw/zinc/73/03/37/455730337.db2.gz ASOCVBMRLMSLSY-YPMHNXCESA-N -1 3 332.734 3.431 10 10 EGCEHM CCc1csc([C@H]2CCCN(C(=O)c3cccc(O)c3[O-])C2)n1 ZINC000187093060 455869889 /nfs/dbraw/zinc/86/98/89/455869889.db2.gz ZZGKRQWHRFSVET-NSHDSACASA-N -1 3 332.425 3.137 10 10 EGCEHM C[C@H](N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O)c1ccc(F)cc1[O-] ZINC000189047591 456210837 /nfs/dbraw/zinc/21/08/37/456210837.db2.gz PRHVTORVMMDOHG-YVEFUNNKSA-N -1 3 346.377 3.122 10 10 EGCEHM C[C@@H]1C[C@]2(CCO1)CN(Cc1cccc(Cl)c1[O-])C[C@H](C)O2 ZINC000366813510 457901288 /nfs/dbraw/zinc/90/12/88/457901288.db2.gz WNEZAPXYQQVQQA-IIYDPXPESA-N -1 3 325.836 3.204 10 10 EGCEHM Cc1cc(Cl)cc(CN2CCCC[C@@H]2CCS(C)(=O)=O)c1[O-] ZINC000367832685 457984856 /nfs/dbraw/zinc/98/48/56/457984856.db2.gz OUEHYLVGMLGIFX-OAHLLOKOSA-N -1 3 345.892 3.143 10 10 EGCEHM CC(=O)c1cc(Cl)cc(CN2CCC[C@H](c3ccncn3)C2)c1[O-] ZINC000365880533 547780716 /nfs/dbraw/zinc/78/07/16/547780716.db2.gz IMEXWFHMGLCWEK-ZDUSSCGKSA-N -1 3 345.830 3.418 10 10 EGCEHM O=C(COC(=O)c1cc([O-])cs1)c1ccccc1Br ZINC000732353173 575261495 /nfs/dbraw/zinc/26/14/95/575261495.db2.gz NDTXHEBWDFYXGU-UHFFFAOYSA-N -1 3 341.182 3.256 10 10 EGCEHM C[C@@H]1CN(Cc2cc(F)cc(F)c2[O-])CC[C@H](C(F)(F)F)O1 ZINC000895477017 1309358817 /nfs/dbraw/zinc/35/88/17/1309358817.db2.gz PGUMFKYXRBGOBY-PRHODGIISA-N -1 3 325.277 3.212 10 10 EGCEHM CCCOCc1ccccc1CNC(=O)NCc1c([O-])cccc1F ZINC000914217353 1319269825 /nfs/dbraw/zinc/26/98/25/1319269825.db2.gz FJWICQUQVXLQFP-UHFFFAOYSA-N -1 3 346.402 3.457 10 10 EGCEHM CCC(F)(F)C(C)(C)CS(=O)(=O)NCc1c([O-])cccc1F ZINC000921451782 1322318175 /nfs/dbraw/zinc/31/81/75/1322318175.db2.gz VVUPTZHBNWFUQK-UHFFFAOYSA-N -1 3 339.379 3.022 10 10 EGCEHM Cc1ccc(C(C)(C)CNC(=O)NCc2c([O-])cccc2F)nc1 ZINC000923411943 1322747079 /nfs/dbraw/zinc/74/70/79/1322747079.db2.gz GPXCVGBKTJUWGI-UHFFFAOYSA-N -1 3 331.391 3.012 10 10 EGCEHM CCOc1ccc(C(=O)CCC(=O)NCc2c([O-])cccc2F)cc1 ZINC000928710222 1328405704 /nfs/dbraw/zinc/40/57/04/1328405704.db2.gz QKUSIHCJJPVXJZ-UHFFFAOYSA-N -1 3 345.370 3.209 10 10 EGCEHM CSc1nc(C2CC2)nc(C)c1C(=O)NCc1c([O-])cccc1F ZINC000928712583 1328407286 /nfs/dbraw/zinc/40/72/86/1328407286.db2.gz TZUJWQOOLBOYJQ-UHFFFAOYSA-N -1 3 347.415 3.159 10 10 EGCEHM CC[C@@H]1CN(Cc2cc(Cl)cc(C)c2[O-])C[C@@]2(CCOC2)O1 ZINC000373484797 458506784 /nfs/dbraw/zinc/50/67/84/458506784.db2.gz YDOYLCVEKJNDPN-NVXWUHKLSA-N -1 3 325.836 3.124 10 10 EGCEHM CCc1nccn1[C@@H]1CCCN(Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000175653125 455477259 /nfs/dbraw/zinc/47/72/59/455477259.db2.gz AOPUMNUKXKRPRP-MRXNPFEDSA-N -1 3 345.418 3.330 10 10 EGCEHM O=C1[C@@H](NCc2cccc(Cl)c2[O-])CCN1Cc1ccc(F)cc1 ZINC000191807353 455522086 /nfs/dbraw/zinc/52/20/86/455522086.db2.gz VJKLREGZGRQEQU-INIZCTEOSA-N -1 3 348.805 3.075 10 10 EGCEHM Cc1ccc(C)c([C@H]2CN(C(=O)c3cccc(O)c3[O-])[C@@H](C)CO2)c1 ZINC000185742947 455612080 /nfs/dbraw/zinc/61/20/80/455612080.db2.gz NWOJCPZIQQJOJY-KBXCAEBGSA-N -1 3 341.407 3.317 10 10 EGCEHM C[S@@](=O)C[C@@H](NCc1cc(Cl)c(F)cc1[O-])c1ccccc1 ZINC000293511314 455788557 /nfs/dbraw/zinc/78/85/57/455788557.db2.gz CDPUPSYXVWXWQE-IVZQSRNASA-N -1 3 341.835 3.394 10 10 EGCEHM C[S@@](=O)C[C@H](NCc1cc(Cl)c(F)cc1[O-])c1ccccc1 ZINC000293511320 455789414 /nfs/dbraw/zinc/78/94/14/455789414.db2.gz CDPUPSYXVWXWQE-OYHNWAKOSA-N -1 3 341.835 3.394 10 10 EGCEHM [O-]c1cc(F)c(Cl)cc1CNCc1ccnc(N2CCCC2)c1 ZINC000293850502 455799525 /nfs/dbraw/zinc/79/95/25/455799525.db2.gz HSMPODLDMJQJKJ-UHFFFAOYSA-N -1 3 335.810 3.470 10 10 EGCEHM COc1ccc(CNCc2cc(Cl)c(F)cc2[O-])c(OC)c1 ZINC000294220749 455808582 /nfs/dbraw/zinc/80/85/82/455808582.db2.gz LXESSHUBYMILOD-UHFFFAOYSA-N -1 3 325.767 3.492 10 10 EGCEHM COc1c([O-])c(CN[C@@H]2CCc3c2cccc3F)ccc1[N+](=O)[O-] ZINC000278951696 455854255 /nfs/dbraw/zinc/85/42/55/455854255.db2.gz ZMDHZJGEKOHBBF-CQSZACIVSA-N -1 3 332.331 3.225 10 10 EGCEHM CC[C@@H](NCc1cnn(CC)n1)c1ccc(C(F)(F)F)cc1[O-] ZINC000527922158 459773532 /nfs/dbraw/zinc/77/35/32/459773532.db2.gz CKTMOJOOYCAGJY-CYBMUJFWSA-N -1 3 328.338 3.263 10 10 EGCEHM O=C(C1CCCCC1)N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000120494128 1293323670 /nfs/dbraw/zinc/32/36/70/1293323670.db2.gz NSYHKXFZXPJHOK-UHFFFAOYSA-N -1 3 336.863 3.270 10 10 EGCEHM COc1ccc([C@H](NC(=O)NCc2c([O-])cccc2F)C2CC2)cc1 ZINC000913968578 1319196932 /nfs/dbraw/zinc/19/69/32/1319196932.db2.gz RLICSFBYGITXKN-GOSISDBHSA-N -1 3 344.386 3.490 10 10 EGCEHM O=C(NCc1c([O-])cccc1F)N[C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000921993604 1322436149 /nfs/dbraw/zinc/43/61/49/1322436149.db2.gz DWGSEBUUFJQTGS-KBXCAEBGSA-N -1 3 344.386 3.251 10 10 EGCEHM O=C(NCc1c([O-])cccc1F)NC[C@]1(c2ccccc2)CCCO1 ZINC000927684103 1328105202 /nfs/dbraw/zinc/10/52/02/1328105202.db2.gz ILAOTXWPBVDMSM-IBGZPJMESA-N -1 3 344.386 3.036 10 10 EGCEHM C[C@H]1CN(Cc2c([O-])cccc2Br)C2(CCC2)CO1 ZINC000862403919 1329483652 /nfs/dbraw/zinc/48/36/52/1329483652.db2.gz XVAKKXVMCDBOAD-NSHDSACASA-N -1 3 326.234 3.298 10 10 EGCEHM Cc1cc([O-])c(CNCc2c(Br)cnn2C)c(Cl)c1 ZINC000865680623 1329728824 /nfs/dbraw/zinc/72/88/24/1329728824.db2.gz IECHYKHXIGWELN-UHFFFAOYSA-N -1 3 344.640 3.140 10 10 EGCEHM O=C(NCc1c([O-])cccc1F)NCC(F)(F)c1cccc(F)c1 ZINC001230749149 1376138843 /nfs/dbraw/zinc/13/88/43/1376138843.db2.gz PCEPIKHBGNXFEQ-UHFFFAOYSA-N -1 3 342.292 3.262 10 10 EGCEHM COc1ccc(C(=O)NCc2c([O-])cccc2F)cc1OC(F)F ZINC001156171272 1380535551 /nfs/dbraw/zinc/53/55/51/1380535551.db2.gz YXVYBKYEJOMIGT-UHFFFAOYSA-N -1 3 341.285 3.071 10 10 EGCEHM C[Si](C)(C)c1ccc(CNC(=O)NCc2c([O-])cccc2F)cc1 ZINC001312935358 1384380710 /nfs/dbraw/zinc/38/07/10/1384380710.db2.gz BCOMOKBMPLSYLT-UHFFFAOYSA-N -1 3 346.478 3.076 10 10 EGCEHM CC[C@@H](NCc1ccnc(C)n1)c1cc(Br)ccc1[O-] ZINC000038037434 213195407 /nfs/dbraw/zinc/19/54/07/213195407.db2.gz JYAZJEZJWHLMLX-CQSZACIVSA-N -1 3 336.233 3.494 10 10 EGCEHM Cc1nc(C[C@@H]2CCCN(Cc3c([O-])ccc(Cl)c3F)C2)no1 ZINC000191305168 455476026 /nfs/dbraw/zinc/47/60/26/455476026.db2.gz YTQIOBOBDZCXTR-NSHDSACASA-N -1 3 339.798 3.331 10 10 EGCEHM CCc1csc([C@H]2CCCN(C(=O)c3ccc(C)c(O)c3[O-])C2)n1 ZINC000179497568 455052682 /nfs/dbraw/zinc/05/26/82/455052682.db2.gz UYEIFSYSOUGSRQ-LBPRGKRZSA-N -1 3 346.452 3.445 10 10 EGCEHM Cc1cc(CNCc2cc(Cl)cc(C)c2[O-])nc(N2CCCC2)n1 ZINC000292781187 455755650 /nfs/dbraw/zinc/75/56/50/455755650.db2.gz LKIADLXLTSLJHO-UHFFFAOYSA-N -1 3 346.862 3.342 10 10 EGCEHM C[S@](=O)C[C@@H](NCc1cc(Cl)c(F)cc1[O-])c1ccccc1 ZINC000293511322 455789354 /nfs/dbraw/zinc/78/93/54/455789354.db2.gz CDPUPSYXVWXWQE-QRQCRPRQSA-N -1 3 341.835 3.394 10 10 EGCEHM COC[C@@H](N[C@H](C)c1cc(C(=O)OC)ccc1[O-])c1ccccc1 ZINC000273347187 456224104 /nfs/dbraw/zinc/22/41/04/456224104.db2.gz BAYDSGFWXFYNJK-CXAGYDPISA-N -1 3 329.396 3.217 10 10 EGCEHM CC(=O)c1cc(Cl)cc(CN2CCC(c3c[nH]cn3)CC2)c1[O-] ZINC000374208033 457523011 /nfs/dbraw/zinc/52/30/11/457523011.db2.gz KRJOZWAQFTUXNP-UHFFFAOYSA-N -1 3 333.819 3.351 10 10 EGCEHM C[C@@H]1C[C@]2(CCO1)CN(Cc1cc(Cl)ccc1[O-])C[C@H](C)O2 ZINC000366790790 457898907 /nfs/dbraw/zinc/89/89/07/457898907.db2.gz BFGNNARNFBOMLC-IIYDPXPESA-N -1 3 325.836 3.204 10 10 EGCEHM Cc1nnc2n1[C@H](c1ccccc1[O-])N=C1Oc3ccccc3C=C21 ZINC000584655473 459779577 /nfs/dbraw/zinc/77/95/77/459779577.db2.gz MLFUHWUQVQPQDU-QGZVFWFLSA-N -1 3 330.347 3.184 10 10 EGCEHM COc1ccc2ccc([O-])c(CN3CCOC[C@H]3C(F)(F)F)c2c1 ZINC000739871599 576512325 /nfs/dbraw/zinc/51/23/25/576512325.db2.gz WKXXAIHUEVTVLX-INIZCTEOSA-N -1 3 341.329 3.317 10 10 EGCEHM CC(=O)Nc1cccc(N=Cc2c(C)[n-]n(-c3ccccc3)c2=O)c1 ZINC000101534469 1292967682 /nfs/dbraw/zinc/96/76/82/1292967682.db2.gz RZABAWCPNSBBQB-LDADJPATSA-N -1 3 334.379 3.364 10 10 EGCEHM CC(C)OCc1ccccc1CNC(=O)NCc1c([O-])cccc1F ZINC000914149296 1319252656 /nfs/dbraw/zinc/25/26/56/1319252656.db2.gz HSXSCWKHTPQXEG-UHFFFAOYSA-N -1 3 346.402 3.456 10 10 EGCEHM CC(C)(C)c1ccncc1CNC(=O)NCc1c([O-])cccc1F ZINC000922877329 1322638980 /nfs/dbraw/zinc/63/89/80/1322638980.db2.gz KULMNXYKYVUYBN-UHFFFAOYSA-N -1 3 331.391 3.223 10 10 EGCEHM CC(C)(C)OC(=O)[C@]1(C(=O)NCc2c([O-])cccc2F)CC=CCC1 ZINC000928707021 1328405258 /nfs/dbraw/zinc/40/52/58/1328405258.db2.gz ZTCSBYVYBWPAMX-LJQANCHMSA-N -1 3 349.402 3.216 10 10 EGCEHM O=C(NCc1ccc(Cl)cc1F)NCc1c([O-])cccc1F ZINC001226892635 1375353987 /nfs/dbraw/zinc/35/39/87/1375353987.db2.gz RZVBGYWYNYNPQN-UHFFFAOYSA-N -1 3 326.730 3.323 10 10 EGCEHM O=C(NCC1(c2ccc(F)cc2)CCCC1)c1cccc(O)c1[O-] ZINC001136251620 1377368237 /nfs/dbraw/zinc/36/82/37/1377368237.db2.gz JJFDRWSENCZWKM-UHFFFAOYSA-N -1 3 329.371 3.479 10 10 EGCEHM O=C(Nc1ccc(OC(F)F)c2ncccc12)c1cccc(O)c1[O-] ZINC001142091009 1378412286 /nfs/dbraw/zinc/41/22/86/1378412286.db2.gz SHYPHFPVJCPGLL-UHFFFAOYSA-N -1 3 346.289 3.500 10 10 EGCEHM CCOc1ccc(OC(C)(C)C(=O)NCc2c([O-])cccc2F)cc1 ZINC001156164008 1380534377 /nfs/dbraw/zinc/53/43/77/1380534377.db2.gz JONHHKKWSFKJFY-UHFFFAOYSA-N -1 3 347.386 3.404 10 10 EGCEHM O=C(NCc1c([O-])cccc1F)c1ccn(-c2ccc(Cl)cc2)n1 ZINC001156170498 1380535304 /nfs/dbraw/zinc/53/53/04/1380535304.db2.gz OJDKASMULJQTEI-UHFFFAOYSA-N -1 3 345.761 3.300 10 10 EGCEHM CC(C)c1ccc(O[C@@H](C)CNC(=O)c2cccc(O)c2[O-])cc1 ZINC001297630297 1383199441 /nfs/dbraw/zinc/19/94/41/1383199441.db2.gz XKNGHFPZEPUAOR-ZDUSSCGKSA-N -1 3 329.396 3.419 10 10 EGCEHM Cc1cc([O-])c(CN2CCC[C@@H](CO)[C@H]2C(F)(F)F)cc1Cl ZINC001182595252 1387193667 /nfs/dbraw/zinc/19/36/67/1387193667.db2.gz QXYFLFRRGVCFMB-HZMBPMFUSA-N -1 3 337.769 3.489 10 10 EGCEHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C1=COCCC1 ZINC000075416830 453891240 /nfs/dbraw/zinc/89/12/40/453891240.db2.gz AHLCKVFBYFIOIS-UHFFFAOYSA-N -1 3 340.217 3.198 10 10 EGCEHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@@]1(C)CCCO1 ZINC000121005127 454375945 /nfs/dbraw/zinc/37/59/45/454375945.db2.gz RPHLMMPJVLQKBW-OAHLLOKOSA-N -1 3 342.233 3.072 10 10 EGCEHM Cc1occc1C(=O)NC1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000093010154 454670540 /nfs/dbraw/zinc/67/05/40/454670540.db2.gz HNWRADCWMOFFLA-UHFFFAOYSA-N -1 3 348.830 3.341 10 10 EGCEHM Cc1ccc(C(=O)N2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)c([O-])c1O ZINC000182505466 455527738 /nfs/dbraw/zinc/52/77/38/455527738.db2.gz OWNVDRBCPZFEOG-BLLLJJGKSA-N -1 3 345.370 3.148 10 10 EGCEHM Cc1ccc(C(=O)N2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)c([O-])c1O ZINC000182505491 455527960 /nfs/dbraw/zinc/52/79/60/455527960.db2.gz OWNVDRBCPZFEOG-MLGOLLRUSA-N -1 3 345.370 3.148 10 10 EGCEHM [O-]c1cc(F)c(Cl)cc1CN1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000295406939 455847993 /nfs/dbraw/zinc/84/79/93/455847993.db2.gz RGMAVKFJCVJIJC-CMPLNLGQSA-N -1 3 327.705 3.072 10 10 EGCEHM COc1c([O-])c(CN[C@H]2COc3c2ccc(C)c3C)ccc1[N+](=O)[O-] ZINC000278924796 455852623 /nfs/dbraw/zinc/85/26/23/455852623.db2.gz VIOSDQJFGYTDDO-AWEZNQCLSA-N -1 3 344.367 3.149 10 10 EGCEHM C[C@@H]1C[C@@]2(CCO1)CN(Cc1cccc(Cl)c1[O-])C[C@H](C)O2 ZINC000366813509 457901196 /nfs/dbraw/zinc/90/11/96/457901196.db2.gz WNEZAPXYQQVQQA-IGCXYCKISA-N -1 3 325.836 3.204 10 10 EGCEHM [O-]c1ccc2oc3c(c2c1CN1CCO[C@@H](C(F)F)C1)CCCC3 ZINC000193439074 1295869173 /nfs/dbraw/zinc/86/91/73/1295869173.db2.gz GGDAWMSGWUPEPW-MRXNPFEDSA-N -1 3 337.366 3.483 10 10 EGCEHM O=C(c1cccc(O)c1[O-])N1Cc2ccccc2OC2(CCC2)C1 ZINC000899827347 1317175793 /nfs/dbraw/zinc/17/57/93/1317175793.db2.gz FSGRFAWMIYZLMC-UHFFFAOYSA-N -1 3 325.364 3.055 10 10 EGCEHM CCOCc1ccccc1CNC(=O)NCc1c([O-])cccc1F ZINC000914063831 1319223857 /nfs/dbraw/zinc/22/38/57/1319223857.db2.gz UNBMMRHGHBOEQP-UHFFFAOYSA-N -1 3 332.375 3.067 10 10 EGCEHM CCc1c(NC(=O)NCc2c([O-])cccc2F)cnn1CC(C)C ZINC000930561805 1328896220 /nfs/dbraw/zinc/89/62/20/1328896220.db2.gz YJUSUVAZYCLRGL-UHFFFAOYSA-N -1 3 334.395 3.268 10 10 EGCEHM CCCn1ncc(NC(=O)NCc2c([O-])cccc2F)c1C1CC1 ZINC000931601901 1329152094 /nfs/dbraw/zinc/15/20/94/1329152094.db2.gz BYHCDLURIUXZLI-UHFFFAOYSA-N -1 3 332.379 3.337 10 10 EGCEHM O=C(NCc1c([O-])cccc1F)C1(c2ccc(F)cc2)CCOCC1 ZINC000928712344 1328407412 /nfs/dbraw/zinc/40/74/12/1328407412.db2.gz RUJONCVIGFVQII-UHFFFAOYSA-N -1 3 347.361 3.035 10 10 EGCEHM CN(C)Cc1ccc(NC(=O)c2c([O-])c(O)ccc2F)cc1Cl ZINC001161256403 1382354928 /nfs/dbraw/zinc/35/49/28/1382354928.db2.gz PAKNCGHFJDAYCV-UHFFFAOYSA-N -1 3 338.766 3.204 10 10 EGCEHM CC(=O)c1cc(F)cc(CN[C@@H](C)c2ccc3c(c2)OCCO3)c1[O-] ZINC000181757580 455379651 /nfs/dbraw/zinc/37/96/51/455379651.db2.gz AUJKGSQHCWNNRN-NSHDSACASA-N -1 3 345.370 3.356 10 10 EGCEHM Cc1cc(Cl)cc(CN2CCSC[C@@H]2c2cnn(C)c2)c1[O-] ZINC000191734977 455515740 /nfs/dbraw/zinc/51/57/40/455515740.db2.gz MSZGEUNJNQAABE-OAHLLOKOSA-N -1 3 337.876 3.378 10 10 EGCEHM COc1c([O-])c(CN2CC[C@@H](C(F)(F)F)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000294980156 455834142 /nfs/dbraw/zinc/83/41/42/455834142.db2.gz JSLPJXZKWNXJME-GXSJLCMTSA-N -1 3 348.321 3.472 10 10 EGCEHM COc1cc(C)c(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1OC ZINC000278938297 455853705 /nfs/dbraw/zinc/85/37/05/455853705.db2.gz XHBCVYKCGHIIET-UHFFFAOYSA-N -1 3 348.355 3.247 10 10 EGCEHM Cc1cc(Cl)cc(CN2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)c1[O-] ZINC000280596126 456008821 /nfs/dbraw/zinc/00/88/21/456008821.db2.gz XVMAOULKMBTOJM-AHIWAGSCSA-N -1 3 325.836 3.122 10 10 EGCEHM CC1(C)CO[C@@H](c2ccccc2)CN1C(=O)c1cccc(O)c1[O-] ZINC000188382982 456054204 /nfs/dbraw/zinc/05/42/04/456054204.db2.gz LFRLTYBKCKPQMI-MRXNPFEDSA-N -1 3 327.380 3.090 10 10 EGCEHM Cc1ccc(C(=O)N2CCCC[C@@H]2c2noc(C3CC3)n2)c([O-])c1O ZINC000367980633 458002478 /nfs/dbraw/zinc/00/24/78/458002478.db2.gz GEWWHNSOBOGRKG-CYBMUJFWSA-N -1 3 343.383 3.034 10 10 EGCEHM COc1ccc(O)c([C@H](C)NC(=O)c2cc3c(cc2[O-])CCCC3)c1 ZINC000729534881 574869119 /nfs/dbraw/zinc/86/91/19/574869119.db2.gz FIRKDOBHJHQKEK-LBPRGKRZSA-N -1 3 341.407 3.476 10 10 EGCEHM [O-]c1c(Br)cccc1CN1CCN(c2ccccc2)CC1 ZINC000005800030 1291035381 /nfs/dbraw/zinc/03/53/81/1291035381.db2.gz ZZTXACHTNUVJES-UHFFFAOYSA-N -1 3 347.256 3.477 10 10 EGCEHM [O-]c1ccc(Br)cc1CN1CCc2nc[nH]c2C12CCC2 ZINC000585117364 1298029606 /nfs/dbraw/zinc/02/96/06/1298029606.db2.gz ZKRQOSHLADIPFN-UHFFFAOYSA-N -1 3 348.244 3.315 10 10 EGCEHM CC[C@@H](N[C@H](CO)c1ccnn1C)c1cc(Cl)cc(Cl)c1[O-] ZINC000858435397 1328762026 /nfs/dbraw/zinc/76/20/26/1328762026.db2.gz HJOCPSFPLXJKPR-CHWSQXEVSA-N -1 3 344.242 3.207 10 10 EGCEHM CO[C@H]1CCOc2c(NC(=O)NCc3c([O-])cccc3F)cccc21 ZINC000931160252 1329063944 /nfs/dbraw/zinc/06/39/44/1329063944.db2.gz NMMBGQNADNZRAE-INIZCTEOSA-N -1 3 346.358 3.323 10 10 EGCEHM O=C(NCC[C@H]1OCCc2ccccc21)NCc1c([O-])cccc1F ZINC000927672592 1328099382 /nfs/dbraw/zinc/09/93/82/1328099382.db2.gz FWKBLQRNNGDNHZ-GOSISDBHSA-N -1 3 344.386 3.035 10 10 EGCEHM Cc1cc(C(=O)NCc2c([O-])cccc2F)nn1C1CCCCC1 ZINC000928707205 1328404471 /nfs/dbraw/zinc/40/44/71/1328404471.db2.gz CADXCKXPOQGALI-UHFFFAOYSA-N -1 3 331.391 3.471 10 10 EGCEHM CCc1c(C(=O)NCc2c([O-])cccc2F)cnn1C1CCCC1 ZINC000928707183 1328405112 /nfs/dbraw/zinc/40/51/12/1328405112.db2.gz BVWGEYBDKKHSPD-UHFFFAOYSA-N -1 3 331.391 3.335 10 10 EGCEHM Cc1cc(C(=O)CCC(=O)NCc2c([O-])cccc2F)c(C)s1 ZINC000928710259 1328406094 /nfs/dbraw/zinc/40/60/94/1328406094.db2.gz ROYKMQYOYBHFNE-UHFFFAOYSA-N -1 3 335.400 3.489 10 10 EGCEHM COc1ccc([C@@H]2C[C@H]2CC(=O)NCc2c([O-])cccc2F)cc1 ZINC000928713069 1328407563 /nfs/dbraw/zinc/40/75/63/1328407563.db2.gz ZSZSEVZSQWPJKY-ZFWWWQNUSA-N -1 3 329.371 3.350 10 10 EGCEHM CC(=O)c1cc(F)cc(CN2CCn3nc(C(C)(C)C)cc3C2)c1[O-] ZINC001308128498 1384097875 /nfs/dbraw/zinc/09/78/75/1384097875.db2.gz MIHBUEOQEDXZTE-UHFFFAOYSA-N -1 3 345.418 3.244 10 10 EGCEHM COC(C)(C)c1nc(C)c(C(=O)NCc2c([O-])cccc2F)s1 ZINC001178413167 1386210496 /nfs/dbraw/zinc/21/04/96/1386210496.db2.gz NVUDHRLPFNSUEH-UHFFFAOYSA-N -1 3 338.404 3.108 10 10 EGCEHM O=C(NCc1cnc(-c2ccccc2)s1)c1cccc(O)c1[O-] ZINC001320990578 1386777299 /nfs/dbraw/zinc/77/72/99/1386777299.db2.gz DOIZRICIMZJGFQ-UHFFFAOYSA-N -1 3 326.377 3.151 10 10 EGCEHM [O-]c1ccccc1CN(Cc1cc(CO)ccc1F)C[C@@H]1CCCO1 ZINC000528420492 313089325 /nfs/dbraw/zinc/08/93/25/313089325.db2.gz VKKBASBEDHPICR-SFHVURJKSA-N -1 3 345.414 3.205 10 10 EGCEHM CC(=O)Nc1cccc(N=Cc2c(C)[n-]n(-c3ccccc3)c2=O)c1 ZINC000012550127 453371503 /nfs/dbraw/zinc/37/15/03/453371503.db2.gz RZABAWCPNSBBQB-PDGQHHTCSA-N -1 3 334.379 3.364 10 10 EGCEHM O=c1cc(CN2CCC[C@H]2c2ccco2)c2cc(O)c([O-])cc2o1 ZINC000097135201 454412817 /nfs/dbraw/zinc/41/28/17/454412817.db2.gz UEQYJDRAIXYLAS-ZDUSSCGKSA-N -1 3 327.336 3.134 10 10 EGCEHM O=C1C[C@H](c2ccccc2)N(Cc2cccc(Cl)c2[O-])CCN1 ZINC000179784288 455078647 /nfs/dbraw/zinc/07/86/47/455078647.db2.gz OBTIOBBULXRALS-MRXNPFEDSA-N -1 3 330.815 3.109 10 10 EGCEHM CC(=O)c1cc(F)cc(CN2CCO[C@H](c3cccs3)C2)c1[O-] ZINC000157544480 455206247 /nfs/dbraw/zinc/20/62/47/455206247.db2.gz KSEVJXONZZSASU-HNNXBMFYSA-N -1 3 335.400 3.369 10 10 EGCEHM CC(C)c1nc2n(n1)C[C@H](NCc1c([O-])ccc(Cl)c1F)CC2 ZINC000190973965 455418102 /nfs/dbraw/zinc/41/81/02/455418102.db2.gz IGDVWTYLCQOJJO-SNVBAGLBSA-N -1 3 338.814 3.004 10 10 EGCEHM C[C@@H](N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccc(F)cc1[O-] ZINC000185170482 455514918 /nfs/dbraw/zinc/51/49/18/455514918.db2.gz QOFGRRHGIKRCDA-NWDGAFQWSA-N -1 3 337.416 3.347 10 10 EGCEHM O=C1[C@H](NCc2cccc(Cl)c2[O-])CCN1Cc1ccc(F)cc1 ZINC000191807337 455521975 /nfs/dbraw/zinc/52/19/75/455521975.db2.gz VJKLREGZGRQEQU-MRXNPFEDSA-N -1 3 348.805 3.075 10 10 EGCEHM C[C@@H](C1CCCC1)N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000278043026 455741976 /nfs/dbraw/zinc/74/19/76/455741976.db2.gz WDHIDCBEXOQJLJ-NSHDSACASA-N -1 3 336.819 3.389 10 10 EGCEHM Cc1cc(Cl)cc(CN2C[C@]3(CCOC3)OC(C)(C)C2)c1[O-] ZINC000280325322 455947302 /nfs/dbraw/zinc/94/73/02/455947302.db2.gz QPRDZKXRHPMALT-KRWDZBQOSA-N -1 3 325.836 3.124 10 10 EGCEHM COc1ccc(N2CCN(C(=O)c3cc([O-])ccc3Cl)CC2)cc1 ZINC000289690242 456136136 /nfs/dbraw/zinc/13/61/36/456136136.db2.gz DVXUAVFPRJKKHK-UHFFFAOYSA-N -1 3 346.814 3.017 10 10 EGCEHM C[C@@H](OC(=O)c1cc([O-])cs1)C(=O)N1CCSc2ccccc21 ZINC000732353966 575261783 /nfs/dbraw/zinc/26/17/83/575261783.db2.gz XFZGCPRJRRYWKX-SNVBAGLBSA-N -1 3 349.433 3.138 10 10 EGCEHM CCc1ccc(CN2CCN(C(=O)c3cc([O-])cs3)CC2)s1 ZINC000738546017 576335983 /nfs/dbraw/zinc/33/59/83/576335983.db2.gz YUTYONUCDPJVGD-UHFFFAOYSA-N -1 3 336.482 3.036 10 10 EGCEHM O=C(NCc1c([O-])cccc1F)Nc1ccccc1O[C@H]1CCOC1 ZINC000930373862 1328844439 /nfs/dbraw/zinc/84/44/39/1328844439.db2.gz NYZRGRNFOJTGFH-LBPRGKRZSA-N -1 3 346.358 3.021 10 10 EGCEHM CC(C)(C)OC(=O)CC1(C(=O)NCc2c([O-])cccc2F)CCC1 ZINC000928705566 1328403455 /nfs/dbraw/zinc/40/34/55/1328403455.db2.gz JXAXBMBOFVXZII-UHFFFAOYSA-N -1 3 337.391 3.050 10 10 EGCEHM O=C(CCCOCCc1ccccc1)NCc1c([O-])cccc1F ZINC000928711133 1328406513 /nfs/dbraw/zinc/40/65/13/1328406513.db2.gz FACMUQDIYSCEFC-UHFFFAOYSA-N -1 3 331.387 3.187 10 10 EGCEHM CCCOc1cncc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])c1 ZINC000862485128 1329490659 /nfs/dbraw/zinc/49/06/59/1329490659.db2.gz HCKVAZFIPSAGBH-UHFFFAOYSA-N -1 3 333.344 3.105 10 10 EGCEHM O=C(NCc1c([O-])cccc1F)c1ccc(O[C@H]2CC2(F)F)cc1 ZINC001156170004 1380535300 /nfs/dbraw/zinc/53/53/00/1380535300.db2.gz BLAKXJLARGITTB-HNNXBMFYSA-N -1 3 337.297 3.248 10 10 EGCEHM C[C@@H](NC(=O)c1cc([O-])cc(Br)c1)c1ccccc1O ZINC001302532947 1383757074 /nfs/dbraw/zinc/75/70/74/1383757074.db2.gz WGMZTMNURAEMBO-SECBINFHSA-N -1 3 336.185 3.351 10 10 EGCEHM COc1cc2c(cc1OC)C(=O)N(C)[C@H](c1cc(Cl)ccc1[O-])N2 ZINC000030539547 453836429 /nfs/dbraw/zinc/83/64/29/453836429.db2.gz SCEBSEYGUWITFN-MRXNPFEDSA-N -1 3 348.786 3.259 10 10 EGCEHM Cc1ccc(C(=O)N2CCC[C@H]2C[C@H](O)c2ccccc2)c([O-])c1O ZINC000179526868 455056161 /nfs/dbraw/zinc/05/61/61/455056161.db2.gz WRZHNJHMMSDDSB-RDJZCZTQSA-N -1 3 341.407 3.135 10 10 EGCEHM [O-]c1c(Cl)cccc1CN1CCC(c2nnc3ccccn32)CC1 ZINC000179611819 455061254 /nfs/dbraw/zinc/06/12/54/455061254.db2.gz LMSJGGLDPQZKCF-UHFFFAOYSA-N -1 3 342.830 3.468 10 10 EGCEHM C[C@@H](NCc1ccnc(OC(F)F)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000284198349 455650025 /nfs/dbraw/zinc/65/00/25/455650025.db2.gz BOERUNACIGVREV-SECBINFHSA-N -1 3 339.298 3.148 10 10 EGCEHM COc1c([O-])c(CN2CCCC[C@@H]2c2cccn2C)ccc1[N+](=O)[O-] ZINC000278210001 455787698 /nfs/dbraw/zinc/78/76/98/455787698.db2.gz KFFJSXCWXFPDLQ-OAHLLOKOSA-N -1 3 345.399 3.375 10 10 EGCEHM COCCOc1ccc(CNCc2cc(Cl)c(F)cc2[O-])cc1 ZINC000294477537 455817297 /nfs/dbraw/zinc/81/72/97/455817297.db2.gz ZTEZDAJPCOFOOR-UHFFFAOYSA-N -1 3 339.794 3.500 10 10 EGCEHM O=C(c1cccc(O)c1[O-])N1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000187209882 455882148 /nfs/dbraw/zinc/88/21/48/455882148.db2.gz AKVNTXXIFQJAGG-CYBMUJFWSA-N -1 3 333.771 3.045 10 10 EGCEHM Cn1nccc1C1=CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000289320753 456122198 /nfs/dbraw/zinc/12/21/98/456122198.db2.gz FQQLTUCFSCUYHF-UHFFFAOYSA-N -1 3 348.244 3.178 10 10 EGCEHM COC(=O)c1ccc([O-])c([C@H](C)NCc2cc(F)ccc2OC)c1 ZINC000275287240 456272133 /nfs/dbraw/zinc/27/21/33/456272133.db2.gz FSFCEHJNRPYRLJ-NSHDSACASA-N -1 3 333.359 3.177 10 10 EGCEHM Cc1cc(Cl)cc(CN[C@@]2(CO)CCOc3ccccc32)c1[O-] ZINC000282414653 456504897 /nfs/dbraw/zinc/50/48/97/456504897.db2.gz SHDBEFSXSLGUFG-GOSISDBHSA-N -1 3 333.815 3.114 10 10 EGCEHM Cc1cc(Cl)cc(CN2C[C@H](C)O[C@]3(CCCOC3)C2)c1[O-] ZINC000373634859 458559822 /nfs/dbraw/zinc/55/98/22/458559822.db2.gz GEFSISIJAOKJIM-SUMWQHHRSA-N -1 3 325.836 3.124 10 10 EGCEHM CC(=O)c1cc(Cl)cc(CN2CCC=C(c3cnn(C)c3)C2)c1[O-] ZINC000878904856 1300253348 /nfs/dbraw/zinc/25/33/48/1300253348.db2.gz DOAMNXZWBKAZRO-UHFFFAOYSA-N -1 3 345.830 3.271 10 10 EGCEHM [O-]c1ccc(Cl)c(F)c1CNC[C@H](n1cccn1)C(F)(F)F ZINC000858209281 1328712163 /nfs/dbraw/zinc/71/21/63/1328712163.db2.gz HOYQYZPYDRASED-NSHDSACASA-N -1 3 337.704 3.274 10 10 EGCEHM CC(C)c1nc(CCNC(=O)NCc2c([O-])cccc2F)cs1 ZINC000916187361 1319618544 /nfs/dbraw/zinc/61/85/44/1319618544.db2.gz XRBXFPPWRNNKKK-UHFFFAOYSA-N -1 3 337.420 3.153 10 10 EGCEHM CC1(C)C[C@@H](C(=O)NCc2c([O-])cccc2F)c2ccccc2O1 ZINC000928706990 1328404668 /nfs/dbraw/zinc/40/46/68/1328404668.db2.gz ZITUNZAQYYPGMF-CYBMUJFWSA-N -1 3 329.371 3.492 10 10 EGCEHM COc1cccc(C(=O)CCCC(=O)NCc2c([O-])cccc2F)c1 ZINC000928706884 1328405242 /nfs/dbraw/zinc/40/52/42/1328405242.db2.gz YLMZZQRAXLFRCW-UHFFFAOYSA-N -1 3 345.370 3.209 10 10 EGCEHM Cc1cc(CC(=O)[N-]OCc2cccnc2)c(C)n1-c1ccccc1 ZINC001151459593 1379722035 /nfs/dbraw/zinc/72/20/35/1379722035.db2.gz VDGLUKZZVSIUEX-UHFFFAOYSA-N -1 3 335.407 3.280 10 10 EGCEHM COc1cc(C2(C(=O)NCc3c([O-])cccc3F)CC2)ccc1C ZINC001156170603 1380535601 /nfs/dbraw/zinc/53/56/01/1380535601.db2.gz QXOLBLGOLKWREB-UHFFFAOYSA-N -1 3 329.371 3.196 10 10 EGCEHM COc1cc(NC(=O)c2ccc(C)c(O)c2[O-])ccc1OC(F)F ZINC001167413820 1383627075 /nfs/dbraw/zinc/62/70/75/1383627075.db2.gz KFNPMMNIOJSYQQ-UHFFFAOYSA-N -1 3 339.294 3.269 10 10 EGCEHM CN(C)c1ccc(CNC(=O)[N-]c2cc(C(F)(F)F)no2)cc1 ZINC000058251084 214517352 /nfs/dbraw/zinc/51/73/52/214517352.db2.gz HZODVMIABAKNBK-UHFFFAOYSA-N -1 3 328.294 3.081 10 10 EGCEHM Cc1ccc(C(=O)N2C[C@H](c3ccccc3)OCC2(C)C)c([O-])c1O ZINC000179475819 455049913 /nfs/dbraw/zinc/04/99/13/455049913.db2.gz UMVXEDRWQYRHMC-MRXNPFEDSA-N -1 3 341.407 3.399 10 10 EGCEHM Cc1ccc(C(=O)N2CCC(Nc3ccc(F)cc3)CC2)c([O-])c1O ZINC000179474216 455050529 /nfs/dbraw/zinc/05/05/29/455050529.db2.gz QLVXLKLEACALMK-UHFFFAOYSA-N -1 3 344.386 3.262 10 10 EGCEHM Cc1ccc(C(=O)N2C[C@H](c3ccccc3)OC[C@H]2C)c([O-])c1O ZINC000182312285 455486011 /nfs/dbraw/zinc/48/60/11/455486011.db2.gz GSFONTUBVZKJHH-CZUORRHYSA-N -1 3 327.380 3.008 10 10 EGCEHM [O-]c1ccc(Cl)c(F)c1CN1CCCN(c2ccccn2)CC1 ZINC000191495626 455490512 /nfs/dbraw/zinc/49/05/12/455490512.db2.gz VMDJHGIJZRBJDO-UHFFFAOYSA-N -1 3 335.810 3.292 10 10 EGCEHM COc1ccc(OC)c(CNCc2cc(Cl)c(F)cc2[O-])c1 ZINC000293783480 455797570 /nfs/dbraw/zinc/79/75/70/455797570.db2.gz BEGFLBJOLWDBJI-UHFFFAOYSA-N -1 3 325.767 3.492 10 10 EGCEHM NC(=O)c1cccc(CN(Cc2cc(Cl)c(F)cc2[O-])C2CC2)c1 ZINC000294821493 455828240 /nfs/dbraw/zinc/82/82/40/455828240.db2.gz OYUXBTBNNAGLJF-UHFFFAOYSA-N -1 3 348.805 3.448 10 10 EGCEHM Cc1cc(Cl)cc(CN2C[C@@]3(CCOC3)OC(C)(C)C2)c1[O-] ZINC000280325325 455948014 /nfs/dbraw/zinc/94/80/14/455948014.db2.gz QPRDZKXRHPMALT-QGZVFWFLSA-N -1 3 325.836 3.124 10 10 EGCEHM CC(=O)c1cc(F)cc(CN2CCCC[C@H]2c2ccnn2C)c1[O-] ZINC000281232445 456173783 /nfs/dbraw/zinc/17/37/83/456173783.db2.gz CJWJPFOEXNFWJM-KRWDZBQOSA-N -1 3 331.391 3.195 10 10 EGCEHM C[C@@H]1CN(Cc2cc(Cl)ccc2[O-])C[C@]2(CCO[C@H](C)C2)O1 ZINC000366790791 457899362 /nfs/dbraw/zinc/89/93/62/457899362.db2.gz BFGNNARNFBOMLC-PBFPGSCMSA-N -1 3 325.836 3.204 10 10 EGCEHM [O-]c1ccc(Br)cc1CN1CCC[C@H](c2ccncn2)C1 ZINC000371411994 457916019 /nfs/dbraw/zinc/91/60/19/457916019.db2.gz RHGOZRAMFNDLGP-LBPRGKRZSA-N -1 3 348.244 3.324 10 10 EGCEHM O=C(c1cccc(O)c1[O-])N1CC[C@H](Cc2ccc(F)c(F)c2)C1 ZINC000375680991 458016765 /nfs/dbraw/zinc/01/67/65/458016765.db2.gz WXSIBXKZVNPDKK-GFCCVEGCSA-N -1 3 333.334 3.081 10 10 EGCEHM Cc1nnc2n1[C@@H](c1ccccc1[O-])N=C1Oc3ccccc3C=C21 ZINC000584655467 459779959 /nfs/dbraw/zinc/77/99/59/459779959.db2.gz MLFUHWUQVQPQDU-KRWDZBQOSA-N -1 3 330.347 3.184 10 10 EGCEHM C[C@H](N[C@@H]1c2ccccc2CN(C)C1=O)c1cc(F)cc(F)c1[O-] ZINC000857875102 1328611835 /nfs/dbraw/zinc/61/18/35/1328611835.db2.gz GIKAJVKHPDHNIG-MGPLVRAMSA-N -1 3 332.350 3.034 10 10 EGCEHM CC(C)Cn1ccnc1CNCc1c([O-])cccc1Br ZINC000858145436 1328695364 /nfs/dbraw/zinc/69/53/64/1328695364.db2.gz UITFOQMVZQOCKM-UHFFFAOYSA-N -1 3 338.249 3.297 10 10 EGCEHM C[C@]1(CCNC(=O)NCc2c([O-])cccc2F)CC1(Cl)Cl ZINC000922734250 1322605517 /nfs/dbraw/zinc/60/55/17/1322605517.db2.gz AHZXPCGYPWMFPX-ZDUSSCGKSA-N -1 3 335.206 3.305 10 10 EGCEHM O=C(NCc1c([O-])cccc1F)N[C@H]1c2ccccc2CC[C@H]1F ZINC000924028697 1322877708 /nfs/dbraw/zinc/87/77/08/1322877708.db2.gz BUMWFJWVAMXFPZ-WBVHZDCISA-N -1 3 332.350 3.356 10 10 EGCEHM Cc1ccc(C(=O)CCC(=O)NCc2c([O-])cccc2F)cc1C ZINC000928710839 1328405676 /nfs/dbraw/zinc/40/56/76/1328405676.db2.gz WRPGSUDPLFIDJQ-UHFFFAOYSA-N -1 3 329.371 3.427 10 10 EGCEHM [O-]c1cccc(Br)c1CN1CCOC[C@@H]1CC(F)F ZINC000862365708 1329478321 /nfs/dbraw/zinc/47/83/21/1329478321.db2.gz DKEXRMNGLNRTTA-VIFPVBQESA-N -1 3 336.176 3.011 10 10 EGCEHM O=C(NCc1c([O-])cccc1F)c1ccc2[nH]c(C(F)F)nc2c1 ZINC001156170160 1380535377 /nfs/dbraw/zinc/53/53/77/1380535377.db2.gz HSEKJTKRKQXNDD-UHFFFAOYSA-N -1 3 335.285 3.275 10 10 EGCEHM CCN(Cc1nnc(-c2ccccc2[O-])o1)c1ccc(OC)cc1 ZINC001307551285 1384000698 /nfs/dbraw/zinc/00/06/98/1384000698.db2.gz FWZWFUORESPQTO-UHFFFAOYSA-N -1 3 325.368 3.477 10 10 EGCEHM CC(C)(C(=O)NCc1c([O-])cccc1F)c1ccccc1[N+](=O)[O-] ZINC001178413699 1386210154 /nfs/dbraw/zinc/21/01/54/1386210154.db2.gz WSAUADBDPXHICG-UHFFFAOYSA-N -1 3 332.331 3.034 10 10 EGCEHM O=C(NCc1c([O-])cccc1F)NC1CCC2(CCOCC2)CC1 ZINC001334315245 1390515278 /nfs/dbraw/zinc/51/52/78/1390515278.db2.gz WXAURWRYJPSFTE-UHFFFAOYSA-N -1 3 336.407 3.070 10 10 EGCEHM CC(=O)c1cc(F)cc(CN2CCO[C@@H](c3ccc(C)o3)C2)c1[O-] ZINC000158967504 455341441 /nfs/dbraw/zinc/34/14/41/455341441.db2.gz XVEGKFZTJKKHLV-QGZVFWFLSA-N -1 3 333.359 3.209 10 10 EGCEHM C[C@H](N[C@@H](C)c1ccc(F)cc1[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000185170446 455515043 /nfs/dbraw/zinc/51/50/43/455515043.db2.gz QOFGRRHGIKRCDA-RYUDHWBXSA-N -1 3 337.416 3.347 10 10 EGCEHM Cc1nccn1-c1ccc([C@@H](C)NC(=O)c2cccc(O)c2[O-])cc1 ZINC000193129115 455744576 /nfs/dbraw/zinc/74/45/76/455744576.db2.gz HNZRLPOPCMJXPC-GFCCVEGCSA-N -1 3 337.379 3.083 10 10 EGCEHM CCCN(Cc1cccc(S(C)(=O)=O)c1)Cc1ccccc1[O-] ZINC000294975101 455834767 /nfs/dbraw/zinc/83/47/67/455834767.db2.gz XCAJCARJTUVULE-UHFFFAOYSA-N -1 3 333.453 3.208 10 10 EGCEHM CC(=O)c1cc(Cl)cc(CN2CC=C(c3ccnn3C)CC2)c1[O-] ZINC000285525368 455863628 /nfs/dbraw/zinc/86/36/28/455863628.db2.gz HAOKQDHXDBJLGH-UHFFFAOYSA-N -1 3 345.830 3.271 10 10 EGCEHM COC[C@H](N[C@H](C)c1cc(C(=O)OC)ccc1[O-])c1ccccc1 ZINC000273347888 456223690 /nfs/dbraw/zinc/22/36/90/456223690.db2.gz BAYDSGFWXFYNJK-DYVFJYSZSA-N -1 3 329.396 3.217 10 10 EGCEHM CCN(CC)c1ccc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])cn1 ZINC000273415948 456228543 /nfs/dbraw/zinc/22/85/43/456228543.db2.gz QYADXNRTBJUNQA-CYBMUJFWSA-N -1 3 344.415 3.392 10 10 EGCEHM Cc1noc(C)c1CO[C@H]1CCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000370740305 457710246 /nfs/dbraw/zinc/71/02/46/457710246.db2.gz RXDRPAVTCXQOQI-HNNXBMFYSA-N -1 3 336.819 3.442 10 10 EGCEHM Cc1nn(C)c(C)c1[C@H]1COCCN1Cc1cc(Cl)cc(C)c1[O-] ZINC000375261793 457854327 /nfs/dbraw/zinc/85/43/27/457854327.db2.gz IGEJCTZBQKWXGH-MRXNPFEDSA-N -1 3 349.862 3.278 10 10 EGCEHM Cc1ccc(C(=O)N2CCC[C@]3(C2)OCc2ccccc23)c([O-])c1O ZINC000375404693 457917311 /nfs/dbraw/zinc/91/73/11/457917311.db2.gz PYARIVKMMHERNN-HXUWFJFHSA-N -1 3 339.391 3.068 10 10 EGCEHM Cc1cc(Cl)cc(CN2CCCC[C@H]2CCS(C)(=O)=O)c1[O-] ZINC000367832684 457983847 /nfs/dbraw/zinc/98/38/47/457983847.db2.gz OUEHYLVGMLGIFX-HNNXBMFYSA-N -1 3 345.892 3.143 10 10 EGCEHM Cc1ccc(N2CCCN(C(=O)c3ccc(C)c(O)c3[O-])CC2)cc1 ZINC000376543472 458333231 /nfs/dbraw/zinc/33/32/31/458333231.db2.gz XPFBCJAVSPHYPG-UHFFFAOYSA-N -1 3 340.423 3.067 10 10 EGCEHM O=C(NCCc1coc(-c2ccc(F)cc2)n1)c1cc([O-])cs1 ZINC000732281771 575254247 /nfs/dbraw/zinc/25/42/47/575254247.db2.gz CTAFWPLQHCDKFI-UHFFFAOYSA-N -1 3 332.356 3.220 10 10 EGCEHM Cc1cc(F)ccc1N1CCC[C@@H](OC(=O)c2cc([O-])cs2)C1=O ZINC000735349337 575647985 /nfs/dbraw/zinc/64/79/85/575647985.db2.gz BDRVJAAMSYEYGD-CQSZACIVSA-N -1 3 349.383 3.254 10 10 EGCEHM [O-]c1ccc(Cl)c(F)c1CNC[C@@H](n1cccn1)C(F)(F)F ZINC000858209280 1328711838 /nfs/dbraw/zinc/71/18/38/1328711838.db2.gz HOYQYZPYDRASED-LLVKDONJSA-N -1 3 337.704 3.274 10 10 EGCEHM C[C@H](CCc1ccc(O)cc1)NC(=O)NCc1c([O-])cccc1F ZINC000913977857 1319202608 /nfs/dbraw/zinc/20/26/08/1319202608.db2.gz GGZGPOUWWGGYMS-GFCCVEGCSA-N -1 3 332.375 3.057 10 10 EGCEHM O=C(NCc1c([O-])cccc1F)N[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000921993607 1322436144 /nfs/dbraw/zinc/43/61/44/1322436144.db2.gz DWGSEBUUFJQTGS-RDTXWAMCSA-N -1 3 344.386 3.251 10 10 EGCEHM O=C(NCc1c([O-])cccc1F)N[C@H]1C[C@H](c2ccccc2F)C1 ZINC000922322754 1322501233 /nfs/dbraw/zinc/50/12/33/1322501233.db2.gz MTGKNTVOMCGNLP-HAQNSBGRSA-N -1 3 332.350 3.416 10 10 EGCEHM Cc1cc(C(=O)NCc2c([O-])cccc2F)c(C)n1CC(F)(F)F ZINC000928709292 1328404982 /nfs/dbraw/zinc/40/49/82/1328404982.db2.gz HZNIGISRRIJSTR-UHFFFAOYSA-N -1 3 344.308 3.442 10 10 EGCEHM [O-]c1cccc(Cl)c1CNc1nc(C2CCOCC2)ns1 ZINC000865295092 1329684265 /nfs/dbraw/zinc/68/42/65/1329684265.db2.gz ZOFZOGATLFJQII-UHFFFAOYSA-N -1 3 325.821 3.403 10 10 EGCEHM O=C(Nc1ccc(SC(F)(F)F)nc1)c1cccc(O)c1[O-] ZINC001299194776 1383482496 /nfs/dbraw/zinc/48/24/96/1383482496.db2.gz GGBZQKQVUITHQN-UHFFFAOYSA-N -1 3 330.287 3.357 10 10 EGCEHM O=C(NCCc1c[nH]c2ccc(F)cc12)NCc1c([O-])cccc1F ZINC001312589291 1384358654 /nfs/dbraw/zinc/35/86/54/1384358654.db2.gz OSIVRNIRGHIMTI-UHFFFAOYSA-N -1 3 345.349 3.194 10 10 EGCEHM CCc1nn(C)c(CC)c1CNCc1cc(Cl)c(F)cc1[O-] ZINC000293663986 455793382 /nfs/dbraw/zinc/79/33/82/455793382.db2.gz PTXDRFJLMAFABZ-UHFFFAOYSA-N -1 3 325.815 3.333 10 10 EGCEHM O=C1C[C@@H](c2ccccc2)N(Cc2cc(Cl)ccc2[O-])CCN1 ZINC000092075721 454517566 /nfs/dbraw/zinc/51/75/66/454517566.db2.gz MYOXKTCRFBNTGN-INIZCTEOSA-N -1 3 330.815 3.109 10 10 EGCEHM Cc1ccc(C(=O)N2CCC(Oc3ccc(F)cc3)CC2)c([O-])c1O ZINC000182453849 455517488 /nfs/dbraw/zinc/51/74/88/455517488.db2.gz MGVSLJWYDOXIRI-UHFFFAOYSA-N -1 3 345.370 3.229 10 10 EGCEHM [O-]c1cc(F)c(Cl)cc1CNCc1ccc(N2CCCC2)nc1 ZINC000294321128 455811611 /nfs/dbraw/zinc/81/16/11/455811611.db2.gz QZKYIKJKQJBYRH-UHFFFAOYSA-N -1 3 335.810 3.470 10 10 EGCEHM Cc1ccc(C(=O)N2CC[C@@](F)(c3ccccc3C)C2)c([O-])c1O ZINC000374411374 457618311 /nfs/dbraw/zinc/61/83/11/457618311.db2.gz YVSRNVWHDIPBNO-IBGZPJMESA-N -1 3 329.371 3.426 10 10 EGCEHM [O-]c1cc(OCc2ccccc2)ccc1CN1CC(F)(F)C[C@@H]1CO ZINC000364843803 457703585 /nfs/dbraw/zinc/70/35/85/457703585.db2.gz METBRMBJVPVSOP-MRXNPFEDSA-N -1 3 349.377 3.173 10 10 EGCEHM CCO[C@@H](C)c1nc(CN(C)C(=O)c2cc([O-])cs2)cs1 ZINC000743726959 576815276 /nfs/dbraw/zinc/81/52/76/576815276.db2.gz PQPJFMIZHMQUFU-VIFPVBQESA-N -1 3 326.443 3.280 10 10 EGCEHM [O-]c1c(F)cc(Br)cc1CN1CCC[C@@](O)(C2CC2)C1 ZINC000895260362 1309262205 /nfs/dbraw/zinc/26/22/05/1309262205.db2.gz QITRKKBFZJQYCJ-HNNXBMFYSA-N -1 3 344.224 3.031 10 10 EGCEHM C[C@H](N[C@H]1c2ccccc2CN(C)C1=O)c1cc(Cl)ccc1[O-] ZINC000857875384 1328611773 /nfs/dbraw/zinc/61/17/73/1328611773.db2.gz LXWADKFGYUETTG-GTNSWQLSSA-N -1 3 330.815 3.410 10 10 EGCEHM O=C(c1cccc(O)c1[O-])N1CCCC[C@@H]1CC1(O)CCCCC1 ZINC000899750674 1317143899 /nfs/dbraw/zinc/14/38/99/1317143899.db2.gz LMIWQRMZOAMPJB-CQSZACIVSA-N -1 3 333.428 3.178 10 10 EGCEHM COCCOCc1cccc(NC(=O)NCc2c([O-])cccc2F)c1 ZINC000929786036 1328700933 /nfs/dbraw/zinc/70/09/33/1328700933.db2.gz XRFNLUNDBVTYDK-UHFFFAOYSA-N -1 3 348.374 3.016 10 10 EGCEHM CC[C@H](N[C@@H](CO)c1ccnn1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000858434759 1328761569 /nfs/dbraw/zinc/76/15/69/1328761569.db2.gz OREIUOAOVRDTQH-RYUDHWBXSA-N -1 3 344.242 3.207 10 10 EGCEHM COc1cccc([C@@H]2C[C@H]2CNC(=O)NCc2c([O-])cccc2F)c1 ZINC000922909565 1322646759 /nfs/dbraw/zinc/64/67/59/1322646759.db2.gz PGNSAOFVOSDOKT-ZFWWWQNUSA-N -1 3 344.386 3.143 10 10 EGCEHM COc1ccccc1C[C@@H](C)CC(=O)NCc1c([O-])cccc1F ZINC000928710384 1328406372 /nfs/dbraw/zinc/40/63/72/1328406372.db2.gz CQILNBWTDUDISE-CYBMUJFWSA-N -1 3 331.387 3.425 10 10 EGCEHM CCOC(=O)c1cc(CN[C@H](CC)c2cccc(Cl)c2[O-])on1 ZINC000866517232 1330120956 /nfs/dbraw/zinc/12/09/56/1330120956.db2.gz YSCQAFJGJUBCQW-CYBMUJFWSA-N -1 3 338.791 3.451 10 10 EGCEHM CC(C)(C)n1cncc1[C@@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC001124100159 1372672771 /nfs/dbraw/zinc/67/27/71/1372672771.db2.gz VPBAUPHQWPFUNT-CYBMUJFWSA-N -1 3 343.427 3.069 10 10 EGCEHM CCc1ccc(C(=O)NCc2c(O)ccc3c2CCCC3)c([O-])c1 ZINC001150378995 1379542117 /nfs/dbraw/zinc/54/21/17/1379542117.db2.gz ZOQXCPUHYJOSJW-UHFFFAOYSA-N -1 3 325.408 3.469 10 10 EGCEHM O=C(NCc1c([O-])cccc1F)c1ccc(O[C@@H]2CC2(F)F)cc1 ZINC001156170005 1380535561 /nfs/dbraw/zinc/53/55/61/1380535561.db2.gz BLAKXJLARGITTB-OAHLLOKOSA-N -1 3 337.297 3.248 10 10 EGCEHM CCCCN(Cc1cc(Cl)cc(C)c1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000179568023 455059045 /nfs/dbraw/zinc/05/90/45/455059045.db2.gz RHRLQYRARUEPRS-OAHLLOKOSA-N -1 3 345.892 3.143 10 10 EGCEHM CCn1cc([C@@H]2CN(Cc3c([O-])ccc4ccccc43)CCO2)cn1 ZINC000189848200 455245725 /nfs/dbraw/zinc/24/57/25/455245725.db2.gz RJUOSRSOPPUROR-FQEVSTJZSA-N -1 3 337.423 3.335 10 10 EGCEHM Cc1cc([C@@H]2CN(C(=O)c3ccc(C)c(O)c3[O-])CCO2)ccc1F ZINC000182956257 455198711 /nfs/dbraw/zinc/19/87/11/455198711.db2.gz RAUAYCBYPHEVTG-INIZCTEOSA-N -1 3 345.370 3.067 10 10 EGCEHM CC(=O)c1cc(F)cc(CN[C@H](C)c2ccc3c(c2)OCCO3)c1[O-] ZINC000181757598 455379304 /nfs/dbraw/zinc/37/93/04/455379304.db2.gz AUJKGSQHCWNNRN-LLVKDONJSA-N -1 3 345.370 3.356 10 10 EGCEHM CC(=O)c1cc(F)cc(CN2CCC[C@H](n3cc(C)cn3)C2)c1[O-] ZINC000175653491 455477313 /nfs/dbraw/zinc/47/73/13/455477313.db2.gz KISXCGQGHOEKFU-INIZCTEOSA-N -1 3 331.391 3.076 10 10 EGCEHM Cc1nnc([C@H](N[C@@H](C)c2cc(F)ccc2[O-])c2ccccc2)[nH]1 ZINC000185324983 455539787 /nfs/dbraw/zinc/53/97/87/455539787.db2.gz LTXAFVPUWKGVRI-APPDUMDISA-N -1 3 326.375 3.398 10 10 EGCEHM Cc1ccc(C(=O)N(C)Cc2nc3c(s2)CCCC3)c([O-])c1O ZINC000182552124 455539907 /nfs/dbraw/zinc/53/99/07/455539907.db2.gz YHMHWDCMJBBDOO-UHFFFAOYSA-N -1 3 332.425 3.014 10 10 EGCEHM Cc1ccc(C(=O)NC2(c3noc(C(C)C)n3)CCCC2)c([O-])c1O ZINC000182555552 455540039 /nfs/dbraw/zinc/54/00/39/455540039.db2.gz YUGVQAHNBPMHJT-UHFFFAOYSA-N -1 3 345.399 3.112 10 10 EGCEHM [O-]c1cc(F)c(Cl)cc1CN1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000294795512 455827312 /nfs/dbraw/zinc/82/73/12/455827312.db2.gz VOKDXSNKTAVBTG-ISVAXAHUSA-N -1 3 341.732 3.320 10 10 EGCEHM COc1c([O-])c(CNc2ccnn2[C@H](C)C2CC2)ccc1[N+](=O)[O-] ZINC000278907619 455852774 /nfs/dbraw/zinc/85/27/74/455852774.db2.gz RXNKFDVHOJCBHP-SNVBAGLBSA-N -1 3 332.360 3.089 10 10 EGCEHM COC[C@@H](N[C@@H](C)c1cc(C(=O)OC)ccc1[O-])c1ccccc1 ZINC000273347893 456224063 /nfs/dbraw/zinc/22/40/63/456224063.db2.gz BAYDSGFWXFYNJK-SUMWQHHRSA-N -1 3 329.396 3.217 10 10 EGCEHM CCN(Cc1ccc([N+](=O)[O-])c(OC)c1[O-])[C@@H](C)c1cccnc1 ZINC000290658053 456397996 /nfs/dbraw/zinc/39/79/96/456397996.db2.gz ZLFXAGJQFUWKBI-LBPRGKRZSA-N -1 3 331.372 3.287 10 10 EGCEHM Cc1ccc(C(=O)N2CC(Cc3ccccc3Cl)C2)c([O-])c1O ZINC000378561975 457410533 /nfs/dbraw/zinc/41/05/33/457410533.db2.gz JDUGWZDOTIUUKH-UHFFFAOYSA-N -1 3 331.799 3.374 10 10 EGCEHM Cc1ccc(C(=O)N2CC[C@](C)(c3ccc(F)cc3)C2)c([O-])c1O ZINC000366818522 457901230 /nfs/dbraw/zinc/90/12/30/457901230.db2.gz FBXDGGVCXQZKMA-IBGZPJMESA-N -1 3 329.371 3.349 10 10 EGCEHM C[C@@]12COC[C@H]1CN(Cc1cc(Cl)cc(Br)c1[O-])C2 ZINC000895275747 1309266860 /nfs/dbraw/zinc/26/68/60/1309266860.db2.gz OXRCCEBSYNDHST-QMTHXVAHSA-N -1 3 346.652 3.276 10 10 EGCEHM C[C@@H](N[C@H]1c2ccccc2CN(C)C1=O)c1cc(Cl)ccc1[O-] ZINC000857875383 1328611685 /nfs/dbraw/zinc/61/16/85/1328611685.db2.gz LXWADKFGYUETTG-DIFFPNOSSA-N -1 3 330.815 3.410 10 10 EGCEHM CCOCCC1(CNC(=O)NCc2c([O-])cccc2F)CCCC1 ZINC000921457046 1322318720 /nfs/dbraw/zinc/31/87/20/1322318720.db2.gz DUVGJAOBDCBVFD-UHFFFAOYSA-N -1 3 338.423 3.318 10 10 EGCEHM COc1cccc(C2(CNC(=O)NCc3c([O-])cccc3F)CC2)c1 ZINC000922512992 1322545672 /nfs/dbraw/zinc/54/56/72/1322545672.db2.gz MGNALTLMCQKLFY-UHFFFAOYSA-N -1 3 344.386 3.071 10 10 EGCEHM Cc1nn(CC(C)C)c(C)c1CCC(=O)NCc1c([O-])cccc1F ZINC000928710517 1328406144 /nfs/dbraw/zinc/40/61/44/1328406144.db2.gz UGKMPIQPVFKNJK-UHFFFAOYSA-N -1 3 347.434 3.250 10 10 EGCEHM Cc1ccc(O)c(CNC(=O)c2cc([O-])cc(Br)c2)c1 ZINC001301046525 1383692244 /nfs/dbraw/zinc/69/22/44/1383692244.db2.gz FAJAHJFYSNQNAD-UHFFFAOYSA-N -1 3 336.185 3.099 10 10 EGCEHM [O-]c1cc(F)c(Cl)cc1CN1CC[C@H](n2cc(Cl)cn2)C1 ZINC000293841928 455797670 /nfs/dbraw/zinc/79/76/70/455797670.db2.gz HEJBEYWHIJYUNH-NSHDSACASA-N -1 3 330.190 3.482 10 10 EGCEHM Cc1nc([C@H](NCc2cc(F)ccc2[O-])c2ccccc2F)no1 ZINC000180762543 455240966 /nfs/dbraw/zinc/24/09/66/455240966.db2.gz DSDFZHYBRFSXHL-MRXNPFEDSA-N -1 3 331.322 3.241 10 10 EGCEHM CN(C)c1cccc2c1C(=O)c1c([O-])c3ccccc3c(O)c1C2=O ZINC000005423034 452871369 /nfs/dbraw/zinc/87/13/69/452871369.db2.gz NKDNNGOGUCUKEI-UHFFFAOYSA-N -1 3 333.343 3.092 10 10 EGCEHM CN(C)c1cccc2c1C(=O)c1c(O)c3ccccc3c([O-])c1C2=O ZINC000005423034 452871378 /nfs/dbraw/zinc/87/13/78/452871378.db2.gz NKDNNGOGUCUKEI-UHFFFAOYSA-N -1 3 333.343 3.092 10 10 EGCEHM Cc1nccn1-c1ccc(CN[C@@H](C)c2ccc(F)c(F)c2[O-])cn1 ZINC000191211341 455464899 /nfs/dbraw/zinc/46/48/99/455464899.db2.gz FKWXUJJBPGBFSR-NSHDSACASA-N -1 3 344.365 3.410 10 10 EGCEHM COc1ccccc1C[C@H]1CCCN1C(=O)c1ccc(C)c(O)c1[O-] ZINC000177677333 454891184 /nfs/dbraw/zinc/89/11/84/454891184.db2.gz JGBTWIVBCNWKJE-OAHLLOKOSA-N -1 3 341.407 3.262 10 10 EGCEHM CC(=O)c1cc(F)cc(CN2CCO[C@H](c3ccsc3)C2)c1[O-] ZINC000126458773 454895920 /nfs/dbraw/zinc/89/59/20/454895920.db2.gz QEBZULXCKBVMGR-INIZCTEOSA-N -1 3 335.400 3.369 10 10 EGCEHM Cc1noc(C)c1CN1CCN(Cc2cc(Cl)cc(C)c2[O-])CC1 ZINC000179759941 455074893 /nfs/dbraw/zinc/07/48/93/455074893.db2.gz JKAVVJPDBYPIQK-UHFFFAOYSA-N -1 3 349.862 3.277 10 10 EGCEHM Cc1nc(CN2CCN(Cc3cc(Cl)cc(C)c3[O-])CC2)oc1C ZINC000180043800 455121846 /nfs/dbraw/zinc/12/18/46/455121846.db2.gz SOEMNQIUQPVWRT-UHFFFAOYSA-N -1 3 349.862 3.277 10 10 EGCEHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NC[C@@H]1C[C@@H]1C ZINC000266743645 455446154 /nfs/dbraw/zinc/44/61/54/455446154.db2.gz MWGONOZJUYVYGY-QWRGUYRKSA-N -1 3 341.249 3.342 10 10 EGCEHM [O-]c1cc(F)c(Cl)cc1CN1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000294795510 455827109 /nfs/dbraw/zinc/82/71/09/455827109.db2.gz VOKDXSNKTAVBTG-AMIZOPFISA-N -1 3 341.732 3.320 10 10 EGCEHM [O-]c1cc(F)c(Cl)cc1CN1CCCN(c2nccs2)CC1 ZINC000295469359 455850034 /nfs/dbraw/zinc/85/00/34/455850034.db2.gz WMAVLILMLJWSAG-UHFFFAOYSA-N -1 3 341.839 3.354 10 10 EGCEHM O=[N+]([O-])c1cc(Cl)cc(CN2CCC(c3ncc[nH]3)CC2)c1[O-] ZINC000271193343 456164895 /nfs/dbraw/zinc/16/48/95/456164895.db2.gz NNGQBTBYOKQZER-UHFFFAOYSA-N -1 3 336.779 3.057 10 10 EGCEHM Cc1noc(C)c1CO[C@@H]1CCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000370740306 457710220 /nfs/dbraw/zinc/71/02/20/457710220.db2.gz RXDRPAVTCXQOQI-OAHLLOKOSA-N -1 3 336.819 3.442 10 10 EGCEHM CC[C@@H](N[C@@H](CO)c1ccnn1C)c1cc(Cl)cc(Cl)c1[O-] ZINC000858435398 1328762084 /nfs/dbraw/zinc/76/20/84/1328762084.db2.gz HJOCPSFPLXJKPR-OLZOCXBDSA-N -1 3 344.242 3.207 10 10 EGCEHM CC[C@@H](NC(=O)NCc1c([O-])cccc1F)c1ccc(OC)cc1 ZINC000913909769 1319173126 /nfs/dbraw/zinc/17/31/26/1319173126.db2.gz KGOUMZKNUQXVJW-MRXNPFEDSA-N -1 3 332.375 3.490 10 10 EGCEHM O=C(NCc1c([O-])cccc1F)N[C@@H]1CCCOc2cc(F)ccc21 ZINC000921823480 1322405885 /nfs/dbraw/zinc/40/58/85/1322405885.db2.gz DNSWVVPPLHIWAR-OAHLLOKOSA-N -1 3 348.349 3.384 10 10 EGCEHM O=C(NCc1c([O-])cccc1F)c1ccc(OC2CCOCC2)cc1 ZINC000928705863 1328403524 /nfs/dbraw/zinc/40/35/24/1328403524.db2.gz OILGEMUTHUHXHQ-UHFFFAOYSA-N -1 3 345.370 3.019 10 10 EGCEHM CC(C)(COCc1ccccc1)C(=O)NCc1c([O-])cccc1F ZINC000928709222 1328405159 /nfs/dbraw/zinc/40/51/59/1328405159.db2.gz ZCDFCFAQKXINTA-UHFFFAOYSA-N -1 3 331.387 3.391 10 10 EGCEHM O=C(NCc1c([O-])cccc1F)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000928710550 1328406030 /nfs/dbraw/zinc/40/60/30/1328406030.db2.gz UTIULUGBCRRRBV-OAHLLOKOSA-N -1 3 345.370 3.019 10 10 EGCEHM Cc1ccc(CN(CCO)Cc2c([O-])cccc2Br)o1 ZINC000862350903 1329477007 /nfs/dbraw/zinc/47/70/07/1329477007.db2.gz IUJHNKAWKQFXIA-UHFFFAOYSA-N -1 3 340.217 3.051 10 10 EGCEHM CN(C)c1ccc(NC(=O)c2cccc(O)c2[O-])c(C(F)(F)F)c1 ZINC001141969905 1378399629 /nfs/dbraw/zinc/39/96/29/1378399629.db2.gz DRIXKUMFWVIVQB-UHFFFAOYSA-N -1 3 340.301 3.435 10 10 EGCEHM [O-]c1c(Br)cccc1CN1CC(CC2CCOCC2)C1 ZINC001338291083 1389619953 /nfs/dbraw/zinc/61/99/53/1389619953.db2.gz YFJWMASQIONONN-UHFFFAOYSA-N -1 3 340.261 3.403 10 10 EGCEHM C[C@@H](N[C@@H]1CCCn2ncnc21)c1cc(Cl)c(Cl)cc1[O-] ZINC000192939606 455722728 /nfs/dbraw/zinc/72/27/28/455722728.db2.gz YPFGHTPHACKRTN-PRHODGIISA-N -1 3 327.215 3.476 10 10 EGCEHM Cn1cc(CNCc2cc(Cl)c(F)cc2[O-])c(C(F)(F)F)n1 ZINC000293675033 455795259 /nfs/dbraw/zinc/79/52/59/455795259.db2.gz QZBRYHWDFXLYMI-UHFFFAOYSA-N -1 3 337.704 3.227 10 10 EGCEHM COc1ccc(OC)c([C@H]2CCCN2C(=O)c2cc([O-])cs2)c1 ZINC000731867697 575216147 /nfs/dbraw/zinc/21/61/47/575216147.db2.gz QBZQHMAMLXCJLE-CQSZACIVSA-N -1 3 333.409 3.448 10 10 EGCEHM CC(=O)c1cc(F)cc(CN2CCN(c3ccccc3)CC2)c1[O-] ZINC000079220222 1292548811 /nfs/dbraw/zinc/54/88/11/1292548811.db2.gz HAQPHCWIOZVZPN-UHFFFAOYSA-N -1 3 328.387 3.056 10 10 EGCEHM CC(C)[C@H](C)NC(=O)C1CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000893987284 1306165154 /nfs/dbraw/zinc/16/51/54/1306165154.db2.gz QJUHHSBNZPOKTP-LBPRGKRZSA-N -1 3 340.414 3.043 10 10 EGCEHM [O-]c1ccc(Cl)cc1CN1CCn2cnc(C(F)(F)F)c2C1 ZINC000895562633 1309402417 /nfs/dbraw/zinc/40/24/17/1309402417.db2.gz RSIZOIHYRRDFOJ-UHFFFAOYSA-N -1 3 331.725 3.277 10 10 EGCEHM C[C@@H](NCc1cc(C(F)(F)F)nn1C)c1cc(F)cc(F)c1[O-] ZINC000926929402 1327781924 /nfs/dbraw/zinc/78/19/24/1327781924.db2.gz WSINYUWQDMHPFK-SSDOTTSWSA-N -1 3 335.276 3.274 10 10 EGCEHM CSc1nc(C(C)C)nc(C)c1C(=O)NCc1c([O-])cccc1F ZINC000928711782 1328407346 /nfs/dbraw/zinc/40/73/46/1328407346.db2.gz LEOHAUMAICXABG-UHFFFAOYSA-N -1 3 349.431 3.405 10 10 EGCEHM Cc1c(Br)cccc1CNC(=O)c1cccc(O)c1[O-] ZINC001143750426 1378642410 /nfs/dbraw/zinc/64/24/10/1378642410.db2.gz PTECFLSRIUXXEC-UHFFFAOYSA-N -1 3 336.185 3.099 10 10 EGCEHM O=C(Nc1cc2n[nH]cc2c(C(F)(F)F)c1)c1cccc(O)c1[O-] ZINC001178338144 1386192124 /nfs/dbraw/zinc/19/21/24/1386192124.db2.gz AARNZZLHLGWJPC-UHFFFAOYSA-N -1 3 337.257 3.245 10 10 EGCEHM O=C(CCc1ccc(OC(F)F)cc1)NCc1c([O-])cccc1F ZINC001178410222 1386209571 /nfs/dbraw/zinc/20/95/71/1386209571.db2.gz NIMGPEACCMNDSG-UHFFFAOYSA-N -1 3 339.313 3.382 10 10 EGCEHM