smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(Cl)cc(CN2CCc3ccc(C(=O)[O-])cc3C2)c1O ZINC001599420308 997582495 /nfs/dbraw/zinc/58/24/95/997582495.db2.gz FEBOIPJPBRLUII-UHFFFAOYSA-N -1 1 347.798 3.311 20 10 EGCDMM CCSc1nnc(SCC(=O)c2ccc([O-])c(O)c2)s1 ZINC000005450385 452873564 /nfs/dbraw/zinc/87/35/64/452873564.db2.gz VETZEUDYCNKYDO-UHFFFAOYSA-N -1 1 328.440 3.036 20 10 EGCDMM CN(Cc1ccccc1O)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000111234985 454859083 /nfs/dbraw/zinc/85/90/83/454859083.db2.gz DLPRJIKUSVITEF-MRXNPFEDSA-N -1 1 330.815 3.283 20 10 EGCDMM O=C(CC[C@H]1CCCCO1)NCc1cccc(Br)c1[O-] ZINC000277647003 455622827 /nfs/dbraw/zinc/62/28/27/455622827.db2.gz YPJCVTKWDOIJQM-GFCCVEGCSA-N -1 1 342.233 3.120 20 10 EGCDMM COc1c([O-])c(C[N@H+](C)[C@H](C)c2cccc(O)c2)ccc1[N+](=O)[O-] ZINC000278221188 455790083 /nfs/dbraw/zinc/79/00/83/455790083.db2.gz LNWNXQNIIMFDAJ-LLVKDONJSA-N -1 1 332.356 3.208 20 10 EGCDMM O=C([O-])[C@H]1CCC[N@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C1 ZINC000739583878 576431694 /nfs/dbraw/zinc/43/16/94/576431694.db2.gz YRNSIUYARKSITD-LBPRGKRZSA-N -1 1 329.396 3.314 20 10 EGCDMM O=C([O-])[C@H]1CCC[N@@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C1 ZINC000739583878 576431697 /nfs/dbraw/zinc/43/16/97/576431697.db2.gz YRNSIUYARKSITD-LBPRGKRZSA-N -1 1 329.396 3.314 20 10 EGCDMM CC(=O)c1cc(Cl)cc(C[N@@H+]2CCCCC[C@H]2C(=O)[O-])c1[O-] ZINC000833400656 605846668 /nfs/dbraw/zinc/84/66/68/605846668.db2.gz KFYHWUNCGJXIHV-AWEZNQCLSA-N -1 1 325.792 3.077 20 10 EGCDMM CC(=O)c1cc(Cl)cc(C[N@H+]2CCCCC[C@H]2C(=O)[O-])c1[O-] ZINC000833400656 605846669 /nfs/dbraw/zinc/84/66/69/605846669.db2.gz KFYHWUNCGJXIHV-AWEZNQCLSA-N -1 1 325.792 3.077 20 10 EGCDMM Cc1ccc(C)n1-c1ccc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1 ZINC000029389664 1291328861 /nfs/dbraw/zinc/32/88/61/1291328861.db2.gz OACJLZYYWFYWRH-UHFFFAOYSA-N -1 1 349.316 3.483 20 10 EGCDMM COc1ccc([C@H](C)NC(=O)c2c(F)ccc(O)c2[O-])c(C)c1OC ZINC000832071657 1292952089 /nfs/dbraw/zinc/95/20/89/1292952089.db2.gz JSELWUBKIICYLA-JTQLQIEISA-N -1 1 349.358 3.054 20 10 EGCDMM Cc1cc([N-]S(=O)(=O)c2ccc(F)c3ncccc23)ccc1O ZINC000136493214 1293816202 /nfs/dbraw/zinc/81/62/02/1293816202.db2.gz NVJFAUGZQBXLBG-UHFFFAOYSA-N -1 1 332.356 3.189 20 10 EGCDMM Cc1nc(-c2ccc(S(=O)(=O)[N-]c3ccc(O)cc3)cc2)co1 ZINC000182419151 1295045094 /nfs/dbraw/zinc/04/50/94/1295045094.db2.gz RRPMDHMNYWERHP-UHFFFAOYSA-N -1 1 330.365 3.156 20 10 EGCDMM CC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)cc1 ZINC000187059406 1295365196 /nfs/dbraw/zinc/36/51/96/1295365196.db2.gz LMYRJXHWQDUAEQ-UHFFFAOYSA-N -1 1 333.409 3.321 20 10 EGCDMM CCOC(=O)[C@H]1CCCCN1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000748050571 1298918700 /nfs/dbraw/zinc/91/87/00/1298918700.db2.gz HCHCTTLSOVLJMO-OAHLLOKOSA-N -1 1 339.819 3.166 20 10 EGCDMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(O)cc2C(C)=O)cc1C ZINC000758774390 1300953288 /nfs/dbraw/zinc/95/32/88/1300953288.db2.gz QSKBHXPBWXTYQD-UHFFFAOYSA-N -1 1 349.408 3.021 20 10 EGCDMM COCCOc1cc(NCc2cc(F)cc(F)c2[O-])ccc1OC ZINC000882908536 1302159189 /nfs/dbraw/zinc/15/91/89/1302159189.db2.gz VLQSQHFXMJOZQV-UHFFFAOYSA-N -1 1 339.338 3.316 20 10 EGCDMM O=C(Cc1ccc(F)cc1)NCc1cccc(Br)c1[O-] ZINC000765747990 1302317039 /nfs/dbraw/zinc/31/70/39/1302317039.db2.gz SLXVOOFNVGWEMY-UHFFFAOYSA-N -1 1 338.176 3.153 20 10 EGCDMM O=C(/C=C\c1ccccc1)NCc1cccc(Br)c1[O-] ZINC000765758236 1302320550 /nfs/dbraw/zinc/32/05/50/1302320550.db2.gz UNIJCIGGVAZAMG-KTKRTIGZSA-N -1 1 332.197 3.484 20 10 EGCDMM Cc1ccc2[nH]c(C(=O)OCC(=O)c3ccc([O-])c(O)c3)cc2c1C ZINC000783703539 1305130301 /nfs/dbraw/zinc/13/03/01/1305130301.db2.gz MALPQZOCPQPRIM-UHFFFAOYSA-N -1 1 339.347 3.236 20 10 EGCDMM CC(C)[C@H](Cc1ccccc1)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783764283 1305141804 /nfs/dbraw/zinc/14/18/04/1305141804.db2.gz VYQGDWRVPDKDDO-INIZCTEOSA-N -1 1 342.391 3.339 20 10 EGCDMM CN(Cc1cn[nH]c1)Cc1cc(Cl)cc(Br)c1[O-] ZINC000894026421 1306180519 /nfs/dbraw/zinc/18/05/19/1306180519.db2.gz GIWJIPUBZIDIND-UHFFFAOYSA-N -1 1 330.613 3.163 20 10 EGCDMM Cc1cc(Br)c([O-])c(CNc2c(C)ccn(C)c2=O)c1 ZINC000902258144 1317554304 /nfs/dbraw/zinc/55/43/04/1317554304.db2.gz SNHXDPCKTIULJH-UHFFFAOYSA-N -1 1 337.217 3.082 20 10 EGCDMM O=C(NCc1cccc(Br)c1[O-])C1(F)CCCCC1 ZINC000811459208 1318179322 /nfs/dbraw/zinc/17/93/22/1318179322.db2.gz ADCDVCTYBCGIJZ-UHFFFAOYSA-N -1 1 330.197 3.443 20 10 EGCDMM Cc1c2ccccc2oc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000916591579 1319679844 /nfs/dbraw/zinc/67/98/44/1319679844.db2.gz WMZXPIMUHJHLBR-UHFFFAOYSA-N -1 1 326.304 3.192 20 10 EGCDMM [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000822504558 1320090786 /nfs/dbraw/zinc/09/07/86/1320090786.db2.gz VIVCGTARDIORAI-GFCCVEGCSA-N -1 1 327.215 3.128 20 10 EGCDMM [O-]c1c(Cl)cc(Cl)cc1CN1CCC[C@@H](n2ccnn2)C1 ZINC000822504558 1320090787 /nfs/dbraw/zinc/09/07/87/1320090787.db2.gz VIVCGTARDIORAI-GFCCVEGCSA-N -1 1 327.215 3.128 20 10 EGCDMM O=C(NC[C@H]1CCC[C@@H](C(F)(F)F)C1)c1c(F)ccc(O)c1[O-] ZINC000826763166 1320402487 /nfs/dbraw/zinc/40/24/87/1320402487.db2.gz CUYIDVYOBFGYCL-DTWKUNHWSA-N -1 1 335.297 3.335 20 10 EGCDMM [O-]c1c(Br)cccc1CNc1ncc2c(n1)CCCC2 ZINC000840295571 1321068033 /nfs/dbraw/zinc/06/80/33/1321068033.db2.gz YFGDTGNNRYRFNE-UHFFFAOYSA-N -1 1 334.217 3.436 20 10 EGCDMM CC1(NC(=S)NCc2cccc(Br)c2[O-])CCC1 ZINC000840745838 1321139788 /nfs/dbraw/zinc/13/97/88/1321139788.db2.gz PJEYGQTYXJMMDG-UHFFFAOYSA-N -1 1 329.263 3.061 20 10 EGCDMM CCn1ccc(CN[C@H](C)c2cc(Br)cc(F)c2[O-])n1 ZINC000840839887 1321160773 /nfs/dbraw/zinc/16/07/73/1321160773.db2.gz APNSDSUUTZWOEC-SECBINFHSA-N -1 1 342.212 3.361 20 10 EGCDMM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)CC3)c(C)c(C)c1O ZINC000848451346 1321961048 /nfs/dbraw/zinc/96/10/48/1321961048.db2.gz GWJULOTZZFASIW-UHFFFAOYSA-N -1 1 345.420 3.247 20 10 EGCDMM Cc1ccccc1C[C@H](C)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000859785805 1329076987 /nfs/dbraw/zinc/07/69/87/1329076987.db2.gz URRCKWLDPCZXTF-ZDUSSCGKSA-N -1 1 328.364 3.011 20 10 EGCDMM O=C(Cc1ccc([O-])c(Cl)c1)NCCCSc1nccs1 ZINC000865782628 1329738037 /nfs/dbraw/zinc/73/80/37/1329738037.db2.gz AHJBCRGOBYALPJ-UHFFFAOYSA-N -1 1 342.873 3.343 20 10 EGCDMM O=C([N-]c1c2nonc2ccc1Cl)c1cc(F)cc([N+](=O)[O-])c1 ZINC001324140610 1387547378 /nfs/dbraw/zinc/54/73/78/1387547378.db2.gz HCVPXZCARCCMEG-UHFFFAOYSA-N -1 1 336.666 3.176 20 10 EGCDMM Cc1ccc(CNC(=O)c2ccc(O)c([O-])c2Cl)c(F)c1F ZINC001193236486 1367975691 /nfs/dbraw/zinc/97/56/91/1367975691.db2.gz FGDPIIIIKMMODC-UHFFFAOYSA-N -1 1 327.714 3.268 20 10 EGCDMM O=C(N[C@@H](c1ncccc1F)C1CC1)c1ccc(O)c([O-])c1Cl ZINC001193246722 1367979654 /nfs/dbraw/zinc/97/96/54/1367979654.db2.gz AQBDSDMXKYAKKP-CYBMUJFWSA-N -1 1 336.750 3.166 20 10 EGCDMM O=C1c2ccccc2C(=O)c2c(O[C@@H]3C=CCCC3)cc([O-])c(O)c21 ZINC001229196830 1375785131 /nfs/dbraw/zinc/78/51/31/1375785131.db2.gz IYEZCHWFNZXUEY-LLVKDONJSA-N -1 1 336.343 3.361 20 10 EGCDMM [O-]c1ccc(F)c(F)c1CN1CC(Oc2ccc(F)c(F)c2)C1 ZINC001233334472 1376619522 /nfs/dbraw/zinc/61/95/22/1376619522.db2.gz IIXRCCNARQRHMX-UHFFFAOYSA-N -1 1 327.277 3.212 20 10 EGCDMM COc1cccc(S(=O)(=O)[N-]c2ccc(O)c3ccccc23)c1 ZINC001259189197 1377122249 /nfs/dbraw/zinc/12/22/49/1377122249.db2.gz MTNQXRIETHUPRO-UHFFFAOYSA-N -1 1 329.377 3.355 20 10 EGCDMM CCOC(=O)c1cc2c(s1)CCN(Cc1c([O-])cccc1F)C2 ZINC001137837832 1377626746 /nfs/dbraw/zinc/62/67/46/1377626746.db2.gz WIRUAXCUOAFACN-UHFFFAOYSA-N -1 1 335.400 3.328 20 10 EGCDMM [O-]c1c(F)ccc(F)c1CN1CCN(CCc2cccs2)CC1 ZINC001139682923 1377933693 /nfs/dbraw/zinc/93/36/93/1377933693.db2.gz FETYIBXUBCDTET-UHFFFAOYSA-N -1 1 338.423 3.092 20 10 EGCDMM Oc1cccc(Br)c1C[N@@H+]1CCC[C@H]1c1cnccn1 ZINC001140100786 1378007481 /nfs/dbraw/zinc/00/74/81/1378007481.db2.gz BRIXOPRWBIHJQE-AWEZNQCLSA-N -1 1 334.217 3.282 20 10 EGCDMM CC(C)(C)c1cc(Cl)nc(NCC(=O)c2ccc([O-])c(O)c2)n1 ZINC001159279817 1381750314 /nfs/dbraw/zinc/75/03/14/1381750314.db2.gz ZYTXNEWMKIQJQS-UHFFFAOYSA-N -1 1 335.791 3.134 20 10 EGCDMM C[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000736132850 1426595867 /nfs/dbraw/zinc/59/58/67/1426595867.db2.gz DQLSHLBALKVWSQ-JTQLQIEISA-N -1 1 329.791 3.077 20 10 EGCDMM CCC(CC)(C[NH2+]Cc1c([O-])cccc1Br)C(=O)[O-] ZINC001589506735 955034675 /nfs/dbraw/zinc/03/46/75/955034675.db2.gz DAXMWKBBZHIQQX-UHFFFAOYSA-N -1 1 330.222 3.135 20 10 EGCDMM Cc1cc(Br)c([O-])c(C[N@@H+]2C[C@@H](C(=O)[O-])CC[C@@H]2C)c1 ZINC000817880875 969184997 /nfs/dbraw/zinc/18/49/97/969184997.db2.gz LBMFMZVQYKKWPE-QWRGUYRKSA-N -1 1 342.233 3.148 20 10 EGCDMM CSC1(C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])CCC1 ZINC001599783030 992390419 /nfs/dbraw/zinc/39/04/19/992390419.db2.gz BYVVIQHXTIQHAA-UHFFFAOYSA-N -1 1 329.849 3.218 20 10 EGCDMM CSC1(C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])CCC1 ZINC001599783030 992390425 /nfs/dbraw/zinc/39/04/25/992390425.db2.gz BYVVIQHXTIQHAA-UHFFFAOYSA-N -1 1 329.849 3.218 20 10 EGCDMM C[C@@H](N[C@H](C)c1ccc(N2CCOCC2)cc1)c1cc(C(=O)[O-])co1 ZINC001593198178 994169048 /nfs/dbraw/zinc/16/90/48/994169048.db2.gz OBCZWVRHJZRPCR-ZIAGYGMSSA-N -1 1 344.411 3.226 20 10 EGCDMM C[C@@H](NC(=O)CN(C)Cc1ccccc1O)c1ccccc1Cl ZINC000109769345 454836081 /nfs/dbraw/zinc/83/60/81/454836081.db2.gz CHNDSGHTKHGIOJ-CYBMUJFWSA-N -1 1 332.831 3.355 20 10 EGCDMM CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000374785684 457706968 /nfs/dbraw/zinc/70/69/68/457706968.db2.gz WQNJPFXWWDSGSX-GFCCVEGCSA-N -1 1 348.834 3.107 20 10 EGCDMM CCc1cccc2c(/C=C3\C(=O)[N-]N(c4ccccc4)C3=O)c[nH]c21 ZINC000728697091 574767277 /nfs/dbraw/zinc/76/72/77/574767277.db2.gz CISXLICHEXJJCJ-GZTJUZNOSA-N -1 1 331.375 3.192 20 10 EGCDMM C[C@H](CC(=O)OCC(=O)c1ccc([O-])c(O)c1)c1ccccc1F ZINC000783390602 1305086190 /nfs/dbraw/zinc/08/61/90/1305086190.db2.gz VITYAKSTJBATQI-LLVKDONJSA-N -1 1 332.327 3.157 20 10 EGCDMM O=C(CSc1nnc(-c2cccs2)o1)c1ccc([O-])c(O)c1 ZINC000012248901 1291130154 /nfs/dbraw/zinc/13/01/54/1291130154.db2.gz BLHABVIHOUPQSS-UHFFFAOYSA-N -1 1 334.378 3.184 20 10 EGCDMM CN1c2ccccc2C(=O)N[C@H]1c1cccc(Br)c1[O-] ZINC000054680911 1291759998 /nfs/dbraw/zinc/75/99/98/1291759998.db2.gz DAINYNXKYKEUDH-CQSZACIVSA-N -1 1 333.185 3.033 20 10 EGCDMM CC(=O)c1cc(Cl)cc(CN(C)[C@H](C)C(=O)OC(C)C)c1[O-] ZINC000129612562 1293629280 /nfs/dbraw/zinc/62/92/80/1293629280.db2.gz PUDLFNSLMHVCFS-SNVBAGLBSA-N -1 1 327.808 3.020 20 10 EGCDMM COC(=O)C1(NCc2cc(Cl)cc(C(C)=O)c2[O-])CCCCC1 ZINC000177157706 1294656578 /nfs/dbraw/zinc/65/65/78/1294656578.db2.gz SNEITJNLYADESF-UHFFFAOYSA-N -1 1 339.819 3.214 20 10 EGCDMM Cc1ccc2ncccc2c1S(=O)(=O)[N-]c1ccc(O)cc1C ZINC000748642374 1299055759 /nfs/dbraw/zinc/05/57/59/1299055759.db2.gz FQGCXDGQGQIZMB-UHFFFAOYSA-N -1 1 328.393 3.358 20 10 EGCDMM Cc1ccncc1/C=C/C(=O)NCc1cccc(Br)c1[O-] ZINC000765729273 1302315336 /nfs/dbraw/zinc/31/53/36/1302315336.db2.gz ZYAQSFRXECSEHR-AATRIKPKSA-N -1 1 347.212 3.188 20 10 EGCDMM CN(C)c1ccc(C(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765944808 1302354391 /nfs/dbraw/zinc/35/43/91/1302354391.db2.gz QPYUZIHZXJHAFM-UHFFFAOYSA-N -1 1 349.228 3.151 20 10 EGCDMM Cc1cc(Br)c([O-])c(CN2CCOC[C@@H]2C2CC2)c1 ZINC000781908626 1304890224 /nfs/dbraw/zinc/89/02/24/1304890224.db2.gz KPTANTUORIJYPY-CQSZACIVSA-N -1 1 326.234 3.074 20 10 EGCDMM CCc1ccc(C(C)(C)C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC000784032965 1305180942 /nfs/dbraw/zinc/18/09/42/1305180942.db2.gz IELVAUMMCISJKN-UHFFFAOYSA-N -1 1 342.391 3.364 20 10 EGCDMM O=C(COC(=O)C1CCC(C(F)(F)F)CC1)c1ccc([O-])c(O)c1 ZINC000785010605 1305303579 /nfs/dbraw/zinc/30/35/79/1305303579.db2.gz MYSZDFARVWRUJE-UHFFFAOYSA-N -1 1 346.301 3.192 20 10 EGCDMM O=C(NCCCc1c[nH]c2ccccc12)c1c(F)ccc(O)c1[O-] ZINC000789973893 1306239976 /nfs/dbraw/zinc/23/99/76/1306239976.db2.gz VIDMOUHCERASBX-UHFFFAOYSA-N -1 1 328.343 3.081 20 10 EGCDMM [O-]c1c(F)cc(F)cc1CNc1ccccc1N1CCC(CO)CC1 ZINC000894416227 1308867774 /nfs/dbraw/zinc/86/77/74/1308867774.db2.gz UEVKVENDHWKCFZ-UHFFFAOYSA-N -1 1 348.393 3.491 20 10 EGCDMM COc1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)ccc1O ZINC000797820094 1310252163 /nfs/dbraw/zinc/25/21/63/1310252163.db2.gz GBUQPQGTPFKIKK-UHFFFAOYSA-N -1 1 347.314 3.220 20 10 EGCDMM O=C1CCC(=O)N1c1cc(NCc2cccc(Cl)c2[O-])ccc1F ZINC000809720540 1317875598 /nfs/dbraw/zinc/87/55/98/1317875598.db2.gz DGSFDMCFZONMNO-UHFFFAOYSA-N -1 1 348.761 3.450 20 10 EGCDMM CS(=O)(=O)Nc1cccc(NCc2cc(Cl)c(F)cc2[O-])c1 ZINC000816525299 1319175083 /nfs/dbraw/zinc/17/50/83/1319175083.db2.gz NGOHKCTVQBFGJP-UHFFFAOYSA-N -1 1 344.795 3.168 20 10 EGCDMM O=C(COC(=O)[C@@H]1CCC[C@@H]1c1ccccc1)c1ccc([O-])c(O)c1 ZINC000837866846 1320697986 /nfs/dbraw/zinc/69/79/86/1320697986.db2.gz XQXDRKMWTCCVBA-HZPDHXFCSA-N -1 1 340.375 3.408 20 10 EGCDMM CC(=O)c1cc(F)cc(C[N@H+](Cc2cnn(C)c2)CC(C)C)c1O ZINC000839132829 1320877822 /nfs/dbraw/zinc/87/78/22/1320877822.db2.gz LXQWHPXNNUMVGK-UHFFFAOYSA-N -1 1 333.407 3.126 20 10 EGCDMM C[C@]1(C(=O)OCC(=O)c2ccc([O-])c(O)c2)C[C@@H]1c1ccccc1 ZINC000840600627 1321112797 /nfs/dbraw/zinc/11/27/97/1321112797.db2.gz CCARJZQFXQNBIU-KUHUBIRLSA-N -1 1 326.348 3.018 20 10 EGCDMM COc1c([O-])c(CN2Cc3cc(F)c(F)cc3C2)ccc1[N+](=O)[O-] ZINC000848925921 1322047544 /nfs/dbraw/zinc/04/75/44/1322047544.db2.gz NSEBNDFSSCVYDT-UHFFFAOYSA-N -1 1 336.294 3.103 20 10 EGCDMM Cn1cc(C=C2SC(=S)[N-]C2=O)c(-c2cc3ccccc3o2)n1 ZINC000920063081 1322133519 /nfs/dbraw/zinc/13/35/19/1322133519.db2.gz YJEOKRUVQVVYTG-NTUHNPAUSA-N -1 1 341.417 3.322 20 10 EGCDMM CC(=O)c1cc(Cl)cc(CN(C)Cc2nnc(C)s2)c1[O-] ZINC000852745950 1323234048 /nfs/dbraw/zinc/23/40/48/1323234048.db2.gz FCWDOULZBVQDJQ-UHFFFAOYSA-N -1 1 325.821 3.040 20 10 EGCDMM COc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2)ccc1O ZINC001185525116 1387738102 /nfs/dbraw/zinc/73/81/02/1387738102.db2.gz QXVCQWZQCXFZLM-UHFFFAOYSA-N -1 1 327.789 3.163 20 10 EGCDMM O=C(Nc1ccnc(OC(F)(F)F)c1)c1ccc(O)c([O-])c1Cl ZINC001193220399 1367970081 /nfs/dbraw/zinc/97/00/81/1367970081.db2.gz UKPFJQBCTVZSRT-UHFFFAOYSA-N -1 1 348.664 3.297 20 10 EGCDMM COC(=O)c1cc([N-]S(=O)(=O)c2cccc(C(C)C)c2)ccc1O ZINC001195156942 1368389800 /nfs/dbraw/zinc/38/98/00/1368389800.db2.gz XCHIQUQERLQTIE-UHFFFAOYSA-N -1 1 349.408 3.103 20 10 EGCDMM O=S(=O)(Nc1cc(F)c([O-])cc1F)c1ccc2occc2c1 ZINC001198859753 1369132993 /nfs/dbraw/zinc/13/29/93/1369132993.db2.gz ZZZONSQVRSJPBS-UHFFFAOYSA-N -1 1 325.292 3.217 20 10 EGCDMM CCCCNc1nnc(SCC(=O)c2ccc([O-])c(O)c2)s1 ZINC001115811470 1370792568 /nfs/dbraw/zinc/79/25/68/1370792568.db2.gz RMMJTTSLYPYCRC-UHFFFAOYSA-N -1 1 339.442 3.136 20 10 EGCDMM CCC(=O)[C@H](CC)Oc1c([O-])ccc2c1C(=O)c1ccccc1C2=O ZINC001227580197 1375446721 /nfs/dbraw/zinc/44/67/21/1375446721.db2.gz JJDZPIGCLLGCKY-INIZCTEOSA-N -1 1 338.359 3.304 20 10 EGCDMM [O-]c1ccc(F)c(F)c1CN1CCN(c2nccc3occc32)CC1 ZINC001233335012 1376618374 /nfs/dbraw/zinc/61/83/74/1376618374.db2.gz DHRZUEOFRNRILN-UHFFFAOYSA-N -1 1 345.349 3.134 20 10 EGCDMM CC(C)(C)OC(=O)NC1CCN(Cc2c(F)ccc(F)c2[O-])CC1 ZINC001139685804 1377933686 /nfs/dbraw/zinc/93/36/86/1377933686.db2.gz XUGYUOHVSFIDPB-UHFFFAOYSA-N -1 1 342.386 3.160 20 10 EGCDMM COC(=O)c1ccc2c(c1)CCN(Cc1c(F)ccc(F)c1[O-])C2 ZINC001139685762 1377933800 /nfs/dbraw/zinc/93/38/00/1377933800.db2.gz WCQVSMHAMVACFS-UHFFFAOYSA-N -1 1 333.334 3.015 20 10 EGCDMM CC(C)(C)OC(=O)[C@@H]1CCCN(Cc2c(F)ccc(F)c2[O-])C1 ZINC001139684227 1377933812 /nfs/dbraw/zinc/93/38/12/1377933812.db2.gz RYAXBNZCDXOYBT-LLVKDONJSA-N -1 1 327.371 3.224 20 10 EGCDMM [O-]c1cc(Cl)ccc1CN1Cc2cnn(C3CCOCC3)c2C1 ZINC001140464209 1378066883 /nfs/dbraw/zinc/06/68/83/1378066883.db2.gz GTRFIYPUPCBJIQ-UHFFFAOYSA-N -1 1 333.819 3.109 20 10 EGCDMM CO[C@H](C)C1CN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001141375195 1378312903 /nfs/dbraw/zinc/31/29/03/1378312903.db2.gz YRQYTWRUIIDUFF-MRVPVSSYSA-N -1 1 334.641 3.275 20 10 EGCDMM COC(=O)c1cccc2c1CN(Cc1cc(F)c(F)cc1[O-])CC2 ZINC001142530361 1378453978 /nfs/dbraw/zinc/45/39/78/1378453978.db2.gz GGQPFJRHRYQCBE-UHFFFAOYSA-N -1 1 333.334 3.015 20 10 EGCDMM O=C(Nc1ccc2c(c1)N=NC2)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155232338 1380427638 /nfs/dbraw/zinc/42/76/38/1380427638.db2.gz SPLKINAKMSMWHB-UHFFFAOYSA-N -1 1 337.291 3.054 20 10 EGCDMM CSc1nc2ccccc2c(NCC(=O)c2ccc([O-])c(O)c2)n1 ZINC001159279549 1381749470 /nfs/dbraw/zinc/74/94/70/1381749470.db2.gz TZUDVPXWYXTYTK-UHFFFAOYSA-N -1 1 341.392 3.058 20 10 EGCDMM Cc1cccc(-c2ccc(NCC(=O)c3ccc([O-])c(O)c3)nn2)c1 ZINC001159280310 1381749533 /nfs/dbraw/zinc/74/95/33/1381749533.db2.gz KJPUJDJVPFOFAW-UHFFFAOYSA-N -1 1 335.363 3.158 20 10 EGCDMM O=C(CNc1ncnc2cc3ccccc3cc21)c1ccc([O-])c(O)c1 ZINC001170315912 1384289272 /nfs/dbraw/zinc/28/92/72/1384289272.db2.gz JTXBVEOKOGCXOF-UHFFFAOYSA-N -1 1 345.358 3.489 20 10 EGCDMM Cc1nccc(-c2ccc(NCC(=O)c3ccc([O-])c(O)c3)cc2)n1 ZINC001170322960 1384290736 /nfs/dbraw/zinc/29/07/36/1384290736.db2.gz PUUCUIZMGNUARS-UHFFFAOYSA-N -1 1 335.363 3.158 20 10 EGCDMM CCc1nnc(NCc2cccc(Br)c2[O-])nc1CC ZINC001321158185 1386825422 /nfs/dbraw/zinc/82/54/22/1386825422.db2.gz UBYJZEBGLQCLSU-UHFFFAOYSA-N -1 1 337.221 3.077 20 10 EGCDMM CN(c1ccc(CNCc2cc(C(=O)[O-])n[nH]2)cc1)C1CCCCC1 ZINC001331942552 1389920456 /nfs/dbraw/zinc/92/04/56/1389920456.db2.gz CVHMREKZRKCQNG-UHFFFAOYSA-N -1 1 342.443 3.167 20 10 EGCDMM C[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000820427593 1429740636 /nfs/dbraw/zinc/74/06/36/1429740636.db2.gz UDGCGFXQMSPHNQ-JTQLQIEISA-N -1 1 329.791 3.077 20 10 EGCDMM CC(C)[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1[O-] ZINC000824293473 1425070435 /nfs/dbraw/zinc/07/04/35/1425070435.db2.gz NGQXNAXTOWMSSG-UHFFFAOYSA-N -1 1 341.390 3.122 20 10 EGCDMM C[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000736132851 1426757542 /nfs/dbraw/zinc/75/75/42/1426757542.db2.gz DQLSHLBALKVWSQ-SNVBAGLBSA-N -1 1 329.791 3.077 20 10 EGCDMM CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H](CCC(=O)[O-])C2)c1[O-] ZINC000842471410 955597025 /nfs/dbraw/zinc/59/70/25/955597025.db2.gz ZDLFTCDTNXMZPO-LBPRGKRZSA-N -1 1 339.819 3.325 20 10 EGCDMM CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H](CCC(=O)[O-])C2)c1[O-] ZINC000842471410 955597035 /nfs/dbraw/zinc/59/70/35/955597035.db2.gz ZDLFTCDTNXMZPO-LBPRGKRZSA-N -1 1 339.819 3.325 20 10 EGCDMM Cc1cccc([C@@H](NCc2cc(F)c(N(C)C)cc2F)C(=O)[O-])c1 ZINC001605331457 973210329 /nfs/dbraw/zinc/21/03/29/973210329.db2.gz VNLHPDIOXBHLPZ-QGZVFWFLSA-N -1 1 334.366 3.255 20 10 EGCDMM C[C@@H]1[C@H](C(=O)[O-])CC[N@H+]1Cc1cc(Cl)cc(Br)c1[O-] ZINC000708069919 977413787 /nfs/dbraw/zinc/41/37/87/977413787.db2.gz DMXBFPIMKIHVOK-GMSGAONNSA-N -1 1 348.624 3.103 20 10 EGCDMM C[C@@H](NC/C=C/c1ccc(N(C)C)cc1)c1ncc(C(=O)[O-])s1 ZINC000901909448 980622867 /nfs/dbraw/zinc/62/28/67/980622867.db2.gz CDBPDLSNRFSKIO-ZYOFXKKJSA-N -1 1 331.441 3.271 20 10 EGCDMM Cc1ccc(Cl)c([N-]S(=O)(=O)c2cccc3nsnc32)c1 ZINC000532395775 313793719 /nfs/dbraw/zinc/79/37/19/313793719.db2.gz GRORQKBPLIBMJQ-UHFFFAOYSA-N -1 1 339.829 3.454 20 10 EGCDMM [O-]c1c(Cl)cc(Cl)cc1CN1CCS[C@@H]2COCC[C@@H]21 ZINC000091856111 454482522 /nfs/dbraw/zinc/48/25/22/454482522.db2.gz YQHRCTSMHBSJDX-QWHCGFSZSA-N -1 1 334.268 3.405 20 10 EGCDMM C[C@@H](CNC(=O)[C@@H](C)N(C)Cc1ccccc1O)c1ccccc1 ZINC000109769533 454835152 /nfs/dbraw/zinc/83/51/52/454835152.db2.gz QKZYWSIVJULJKG-JKSUJKDBSA-N -1 1 326.440 3.132 20 10 EGCDMM O=C(c1ccc([O-])cc1F)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000181213128 455303003 /nfs/dbraw/zinc/30/30/03/455303003.db2.gz XLYZNJMELAENLD-OAHLLOKOSA-N -1 1 345.370 3.058 20 10 EGCDMM Cc1ccc([C@@H]2CCN(C(=O)c3c([O-])c(O)ccc3F)C2)c(C)c1 ZINC000296040643 455867718 /nfs/dbraw/zinc/86/77/18/455867718.db2.gz ANTKSOWFVWDEAP-CYBMUJFWSA-N -1 1 329.371 3.483 20 10 EGCDMM Cc1cccc(NC2CCN(C(=O)c3c(F)ccc(O)c3[O-])CC2)c1 ZINC000276637567 456538911 /nfs/dbraw/zinc/53/89/11/456538911.db2.gz ULCUMEKZERZIFA-UHFFFAOYSA-N -1 1 344.386 3.262 20 10 EGCDMM CCc1nc(C)c(CNCc2cc(Cl)cc([N+](=O)[O-])c2[O-])o1 ZINC000291763997 456749333 /nfs/dbraw/zinc/74/93/33/456749333.db2.gz RXURBDKXWGHWMH-UHFFFAOYSA-N -1 1 325.752 3.102 20 10 EGCDMM COCc1nc(C)cc(NCc2cccc(Br)c2[O-])n1 ZINC000277395611 456809546 /nfs/dbraw/zinc/80/95/46/456809546.db2.gz JMQKHNMICPXBLG-UHFFFAOYSA-N -1 1 338.205 3.012 20 10 EGCDMM CNC(=O)Cc1ccc(NCc2cccc(Br)c2[O-])cc1 ZINC000048796153 1291619044 /nfs/dbraw/zinc/61/90/44/1291619044.db2.gz CKUUXUDCVMOMIC-UHFFFAOYSA-N -1 1 349.228 3.055 20 10 EGCDMM Cc1nnc(CN(C)Cc2cc(C)cc(Br)c2[O-])s1 ZINC000827806133 1292378740 /nfs/dbraw/zinc/37/87/40/1292378740.db2.gz OPLZADVDWMMOPR-UHFFFAOYSA-N -1 1 342.262 3.255 20 10 EGCDMM CN(C)c1ccc(CNC(=O)c2ccc(Br)c([O-])c2)cc1 ZINC000132879164 1293730913 /nfs/dbraw/zinc/73/09/13/1293730913.db2.gz RIRPPXRTEQLBMS-UHFFFAOYSA-N -1 1 349.228 3.151 20 10 EGCDMM N#Cc1cccc(-c2csc(NC(=O)c3cccc(O)c3[O-])n2)c1 ZINC000193146340 1295837287 /nfs/dbraw/zinc/83/72/87/1295837287.db2.gz DQEVQWLNNOKVEJ-UHFFFAOYSA-N -1 1 337.360 3.345 20 10 EGCDMM Cc1nc(Cl)ccc1S(=O)(=O)[N-]c1ccc(O)c(Cl)c1 ZINC000380614794 1297545191 /nfs/dbraw/zinc/54/51/91/1297545191.db2.gz QRBZYNKZYYNUDV-UHFFFAOYSA-N -1 1 333.196 3.203 20 10 EGCDMM C[C@H](Nc1ccc(OCCC(N)=O)cc1)c1cc(F)cc(F)c1[O-] ZINC000756816161 1300570410 /nfs/dbraw/zinc/57/04/10/1300570410.db2.gz ZQPSGUMDKBTCHZ-JTQLQIEISA-N -1 1 336.338 3.098 20 10 EGCDMM C[C@@H](Nc1cnn(Cc2ccccn2)c1)c1cc(F)cc(F)c1[O-] ZINC000756867204 1300581263 /nfs/dbraw/zinc/58/12/63/1300581263.db2.gz GVNKLDVYEZRNAD-LLVKDONJSA-N -1 1 330.338 3.483 20 10 EGCDMM CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1C ZINC000766046839 1302377376 /nfs/dbraw/zinc/37/73/76/1302377376.db2.gz DNNIVFLZXMGRBL-UHFFFAOYSA-N -1 1 339.800 3.357 20 10 EGCDMM Cc1cccc(C2(C(=O)OCC(=O)c3ccc([O-])c(O)c3)CCC2)c1 ZINC000782252286 1304940342 /nfs/dbraw/zinc/94/03/42/1304940342.db2.gz KCDIABXZSOHXQX-UHFFFAOYSA-N -1 1 340.375 3.254 20 10 EGCDMM Cc1ccc(CCC(=O)OCC(=O)c2ccc([O-])c(O)c2)c(C)c1 ZINC000782628060 1304995657 /nfs/dbraw/zinc/99/56/57/1304995657.db2.gz UTPICQAFXBTGGZ-UHFFFAOYSA-N -1 1 328.364 3.073 20 10 EGCDMM C[C@@H](CCCc1ccccc1)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784543655 1305256969 /nfs/dbraw/zinc/25/69/69/1305256969.db2.gz HSBSQMVKSKEZSB-AWEZNQCLSA-N -1 1 342.391 3.483 20 10 EGCDMM Cc1cc(C)cc(CCC(=O)OCC(=O)c2ccc([O-])c(O)c2)c1 ZINC000784566081 1305259023 /nfs/dbraw/zinc/25/90/23/1305259023.db2.gz KRLJAYIGNNHMKR-UHFFFAOYSA-N -1 1 328.364 3.073 20 10 EGCDMM CC(=O)c1cc(Cl)cc(CN2CCO[C@H](C(C)(C)C)C2)c1[O-] ZINC000790425559 1306323568 /nfs/dbraw/zinc/32/35/68/1306323568.db2.gz BGKNDEIHGVXFCR-HNNXBMFYSA-N -1 1 325.836 3.495 20 10 EGCDMM C[C@@]1(c2ccccc2)CCCN(C(=O)c2c([O-])c(O)ccc2F)C1 ZINC000825827621 1320365132 /nfs/dbraw/zinc/36/51/32/1320365132.db2.gz WGYFSCKAFSZLQV-LJQANCHMSA-N -1 1 329.371 3.431 20 10 EGCDMM CN1C(=O)COc2ccc(NCc3cc(Cl)c(F)cc3[O-])cc21 ZINC000816553859 1319181868 /nfs/dbraw/zinc/18/18/68/1319181868.db2.gz ITCFDSKOPXGPKJ-UHFFFAOYSA-N -1 1 336.750 3.152 20 10 EGCDMM O=C1[N-]C(=S)S/C1=C/c1ccc(OCc2ccncc2)cc1 ZINC000915043894 1319413996 /nfs/dbraw/zinc/41/39/96/1319413996.db2.gz DGDPMWPOKZLDDQ-NTEUORMPSA-N -1 1 328.418 3.149 20 10 EGCDMM CCCCOc1ccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC000916590166 1319679984 /nfs/dbraw/zinc/67/99/84/1319679984.db2.gz DTSJSPVIUZWQHZ-UHFFFAOYSA-N -1 1 344.363 3.316 20 10 EGCDMM C[C@@H]1CCc2c(C(=O)OCC(=O)c3ccc([O-])c(O)c3)csc2C1 ZINC000916617582 1319686053 /nfs/dbraw/zinc/68/60/53/1319686053.db2.gz JUEVMIHBOURKOS-SNVBAGLBSA-N -1 1 346.404 3.324 20 10 EGCDMM COc1ccc(C[C@@H](C)CN(C)C(=O)c2c(F)ccc(O)c2[O-])cc1 ZINC000827501395 1320457575 /nfs/dbraw/zinc/45/75/75/1320457575.db2.gz OQNHIMHYRGDUSE-GFCCVEGCSA-N -1 1 347.386 3.196 20 10 EGCDMM Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1c(F)ccc([O-])c1F ZINC000839922491 1320996811 /nfs/dbraw/zinc/99/68/11/1320996811.db2.gz WBTCIVZVKGPJRB-LBPRGKRZSA-N -1 1 348.393 3.406 20 10 EGCDMM [O-]c1c(Br)cc(Br)cc1CN1C[C@@H]2C[C@@H]2C1 ZINC000862442188 1329487579 /nfs/dbraw/zinc/48/75/79/1329487579.db2.gz BDZISIKEBBNNTR-OCAPTIKFSA-N -1 1 347.050 3.369 20 10 EGCDMM Cc1cc(CNCc2cc(F)c(N(C)C)cc2F)ccc1C(=O)[O-] ZINC000864516301 1329621256 /nfs/dbraw/zinc/62/12/56/1329621256.db2.gz MDWMFNWAFXZSAS-UHFFFAOYSA-N -1 1 334.366 3.327 20 10 EGCDMM [O-]c1cc(Br)cc(F)c1CN1CC[C@@]2(CCCO2)C1 ZINC001233029003 1376556641 /nfs/dbraw/zinc/55/66/41/1376556641.db2.gz XSCAZWHMWLXVJQ-AWEZNQCLSA-N -1 1 330.197 3.049 20 10 EGCDMM O=S(=O)(Nc1ccc([O-])c(F)c1F)c1ccc(C2CC2)cc1 ZINC001190501240 1367277852 /nfs/dbraw/zinc/27/78/52/1367277852.db2.gz ZQEWMRMTTSHITR-UHFFFAOYSA-N -1 1 325.336 3.349 20 10 EGCDMM Cc1cc(S(=O)(=O)[N-]c2ccc(O)c(C)c2C)cnc1Cl ZINC001192571504 1367821713 /nfs/dbraw/zinc/82/17/13/1367821713.db2.gz GWIOVYDSIHIVNE-UHFFFAOYSA-N -1 1 326.805 3.167 20 10 EGCDMM O=C(Nc1cc(-c2ccccn2)no1)c1ccc(O)c([O-])c1Cl ZINC001193219024 1367970000 /nfs/dbraw/zinc/97/00/00/1367970000.db2.gz FUIHZOJDLAVVCA-UHFFFAOYSA-N -1 1 331.715 3.054 20 10 EGCDMM Cc1c2ccc(NC(=O)c3ccc(O)c([O-])c3Cl)cc2nn1C ZINC001193230253 1367971940 /nfs/dbraw/zinc/97/19/40/1367971940.db2.gz SFTYHUKWRJWRBQ-UHFFFAOYSA-N -1 1 331.759 3.199 20 10 EGCDMM O=C(NCc1cccc(C(F)(F)F)n1)c1ccc(O)c([O-])c1Cl ZINC001193253829 1367980852 /nfs/dbraw/zinc/98/08/52/1367980852.db2.gz AOJDEJPGYDMQFB-UHFFFAOYSA-N -1 1 346.692 3.095 20 10 EGCDMM Cc1cccc(Cl)c1S(=O)(=O)Nc1ccc([O-])c(F)c1F ZINC001195308019 1368417695 /nfs/dbraw/zinc/41/76/95/1368417695.db2.gz FNQJDDMMAFDNNJ-UHFFFAOYSA-N -1 1 333.743 3.433 20 10 EGCDMM CCOC[C@H]1Cn2nccc2C[N@@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC001231869604 1376330424 /nfs/dbraw/zinc/33/04/24/1376330424.db2.gz SASOWHLTEOGBQM-CQSZACIVSA-N -1 1 349.862 3.219 20 10 EGCDMM CCOc1ccc(N2CCN(Cc3ccc(F)c([O-])c3F)CC2)cc1 ZINC001232941558 1376542177 /nfs/dbraw/zinc/54/21/77/1376542177.db2.gz ZDKMBYQOHPYECI-UHFFFAOYSA-N -1 1 348.393 3.391 20 10 EGCDMM Cc1cc(F)ccc1N1CCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC001233079018 1376565756 /nfs/dbraw/zinc/56/57/56/1376565756.db2.gz SKYJLDBPPURIPF-UHFFFAOYSA-N -1 1 336.357 3.440 20 10 EGCDMM CCC1(O)CCN(Cc2cc(F)cc(Br)c2[O-])CC1 ZINC001235304166 1376866311 /nfs/dbraw/zinc/86/63/11/1376866311.db2.gz SSJKBFZKNYESFD-UHFFFAOYSA-N -1 1 332.213 3.031 20 10 EGCDMM [O-]c1c(Cl)cc(F)cc1CN1CCC[C@@H](Oc2cnccn2)C1 ZINC001237802614 1376988089 /nfs/dbraw/zinc/98/80/89/1376988089.db2.gz MPCAFMGFOMRVMH-CYBMUJFWSA-N -1 1 337.782 3.018 20 10 EGCDMM O=C1CN(Cc2cccc(F)c2[O-])CCN1c1cccc(Cl)c1 ZINC001138129406 1377681309 /nfs/dbraw/zinc/68/13/09/1377681309.db2.gz BHGAGVJECVYGPR-UHFFFAOYSA-N -1 1 334.778 3.034 20 10 EGCDMM [O-]c1c(F)ccc(F)c1CN1CCN(CCc2ccccc2)CC1 ZINC001139682933 1377933707 /nfs/dbraw/zinc/93/37/07/1377933707.db2.gz FSRUDDWOPYDDSS-UHFFFAOYSA-N -1 1 332.394 3.031 20 10 EGCDMM CN(Cc1c([O-])cc(F)cc1F)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001140583644 1378090328 /nfs/dbraw/zinc/09/03/28/1378090328.db2.gz POHLHTVJDLAIBJ-LBPRGKRZSA-N -1 1 342.386 3.112 20 10 EGCDMM COc1cc2c(cc1OC)CN(Cc1cc(F)c(F)cc1[O-])CC2 ZINC001142524589 1378453341 /nfs/dbraw/zinc/45/33/41/1378453341.db2.gz CAKGKEXPAFDGHO-UHFFFAOYSA-N -1 1 335.350 3.246 20 10 EGCDMM CC(F)(F)C1(C(=O)NCc2cccc(Br)c2[O-])CC1 ZINC001328289020 1388717228 /nfs/dbraw/zinc/71/72/28/1388717228.db2.gz KEDVMQGEGKDYBQ-UHFFFAOYSA-N -1 1 334.160 3.206 20 10 EGCDMM CCc1nc(Cl)c(NCC(=O)c2ccc([O-])c(O)c2)c(Cl)n1 ZINC001159280460 1381750333 /nfs/dbraw/zinc/75/03/33/1381750333.db2.gz RWPQVEBXXXNQRG-UHFFFAOYSA-N -1 1 342.182 3.052 20 10 EGCDMM O=C(CNc1c(Cl)nc(F)c(Cl)c1F)c1ccc([O-])c(O)c1 ZINC001170313848 1384288786 /nfs/dbraw/zinc/28/87/86/1384288786.db2.gz FCJBNFNOXFUIGV-UHFFFAOYSA-N -1 1 349.120 3.373 20 10 EGCDMM O=C(CNc1c(F)c(F)c(F)c(F)c1F)c1ccc([O-])c(O)c1 ZINC001170315683 1384289367 /nfs/dbraw/zinc/28/93/67/1384289367.db2.gz GKVKMQXZQYVGGE-UHFFFAOYSA-N -1 1 333.212 3.088 20 10 EGCDMM O=C(CNc1cc2ccccc2c([N+](=O)[O-])c1)c1ccc([O-])c(O)c1 ZINC001170320516 1384289784 /nfs/dbraw/zinc/28/97/84/1384289784.db2.gz FEQVVVLYYJABHY-UHFFFAOYSA-N -1 1 338.319 3.454 20 10 EGCDMM CC[N@H+](Cc1cc(Br)ccc1[O-])[C@@H](CC(C)C)C(=O)[O-] ZINC000863529153 979673383 /nfs/dbraw/zinc/67/33/83/979673383.db2.gz HGOHFDQSHXHYFQ-ZDUSSCGKSA-N -1 1 344.249 3.476 20 10 EGCDMM CC[N@@H+](Cc1cc(Br)ccc1[O-])[C@@H](CC(C)C)C(=O)[O-] ZINC000863529153 979673386 /nfs/dbraw/zinc/67/33/86/979673386.db2.gz HGOHFDQSHXHYFQ-ZDUSSCGKSA-N -1 1 344.249 3.476 20 10 EGCDMM CCCCC[C@@H]([NH2+]Cc1ccc(Br)cc1[O-])C(=O)[O-] ZINC001595683188 982169541 /nfs/dbraw/zinc/16/95/41/982169541.db2.gz MAMXLMKJPYUTQY-GFCCVEGCSA-N -1 1 330.222 3.278 20 10 EGCDMM CCN(CC)c1ccc(CN(C)Cc2ccc(C(=O)[O-])cn2)cc1 ZINC001596289038 983708957 /nfs/dbraw/zinc/70/89/57/983708957.db2.gz BVHSQUAPJRZSSI-UHFFFAOYSA-N -1 1 327.428 3.258 20 10 EGCDMM CN(CC(=O)Nc1ccc(N2CCCC2)cc1)Cc1ccccc1O ZINC000109771709 454835254 /nfs/dbraw/zinc/83/52/54/454835254.db2.gz CJEYZPUUJZYHCZ-UHFFFAOYSA-N -1 1 339.439 3.063 20 10 EGCDMM C[C@H](C(=O)NCc1ccc(Cl)cc1)N(C)Cc1ccccc1O ZINC000109772125 454835939 /nfs/dbraw/zinc/83/59/39/454835939.db2.gz UEZAYZBAKJSCCL-CYBMUJFWSA-N -1 1 332.831 3.182 20 10 EGCDMM CN(Cc1ccccc1N1CCCC1)C(=O)c1c(F)ccc(O)c1[O-] ZINC000276663461 456545612 /nfs/dbraw/zinc/54/56/12/456545612.db2.gz MYECYZXQYPZDPG-UHFFFAOYSA-N -1 1 344.386 3.109 20 10 EGCDMM O=C(NCCCSc1nccs1)c1ccc(Cl)cc1[O-] ZINC000736680734 576004160 /nfs/dbraw/zinc/00/41/60/576004160.db2.gz RUDVHLHGDKEPCM-UHFFFAOYSA-N -1 1 328.846 3.414 20 10 EGCDMM CCc1ccc([C@@H]2CN(C(=O)c3c(F)ccc(O)c3[O-])CCO2)cc1 ZINC000830286888 1292701977 /nfs/dbraw/zinc/70/19/77/1292701977.db2.gz QYJCWUQTGWRPQN-INIZCTEOSA-N -1 1 345.370 3.013 20 10 EGCDMM C[C@@H]1CSCC[N@@H+]1Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000172515611 1294439102 /nfs/dbraw/zinc/43/91/02/1294439102.db2.gz IWSAKIJYUHYNMP-CYBMUJFWSA-N -1 1 343.448 3.266 20 10 EGCDMM C[C@@H]1CSCC[N@H+]1Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000172515611 1294439107 /nfs/dbraw/zinc/43/91/07/1294439107.db2.gz IWSAKIJYUHYNMP-CYBMUJFWSA-N -1 1 343.448 3.266 20 10 EGCDMM CSc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000192155279 1295737140 /nfs/dbraw/zinc/73/71/40/1295737140.db2.gz BBNFYLROJPBKNA-UHFFFAOYSA-N -1 1 334.422 3.095 20 10 EGCDMM COCC(=O)Nc1ccc(N[C@@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000756865551 1300580913 /nfs/dbraw/zinc/58/09/13/1300580913.db2.gz QTFHAIKWWWYNCC-JTQLQIEISA-N -1 1 336.338 3.428 20 10 EGCDMM C[C@H](Nc1cnn(Cc2ccccn2)c1)c1cc(F)cc(F)c1[O-] ZINC000756867208 1300581635 /nfs/dbraw/zinc/58/16/35/1300581635.db2.gz GVNKLDVYEZRNAD-NSHDSACASA-N -1 1 330.338 3.483 20 10 EGCDMM Cc1cc2c(NCc3cccc(Br)c3[O-])nccn2n1 ZINC000764933582 1302170675 /nfs/dbraw/zinc/17/06/75/1302170675.db2.gz FPSYXDQMMOLLEK-UHFFFAOYSA-N -1 1 333.189 3.118 20 10 EGCDMM CC[C@@H](NCc1nnnn1C1CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775527540 1303979907 /nfs/dbraw/zinc/97/99/07/1303979907.db2.gz RAKPQEPRGPCMIH-LLVKDONJSA-N -1 1 342.230 3.261 20 10 EGCDMM CC(=O)N[C@@H]1Cc2ccccc2N(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000780778088 1304737889 /nfs/dbraw/zinc/73/78/89/1304737889.db2.gz ASZNLPZVSLWPDF-OAHLLOKOSA-N -1 1 348.805 3.252 20 10 EGCDMM Cc1cc(Br)c([O-])c(CN2CCc3ncsc3C2)c1 ZINC000783745972 1305138093 /nfs/dbraw/zinc/13/80/93/1305138093.db2.gz RFEYFCSDVQJJMT-UHFFFAOYSA-N -1 1 339.258 3.478 20 10 EGCDMM O=C(COC(=O)c1cc(F)c(Cl)cc1F)c1ccc([O-])c(O)c1 ZINC000785603040 1305390438 /nfs/dbraw/zinc/39/04/38/1305390438.db2.gz UTQZQFGZCHYOOA-UHFFFAOYSA-N -1 1 342.681 3.069 20 10 EGCDMM [O-]c1c(Br)cc(Cl)cc1CN1CCC[C@@H](CO)C1 ZINC000893864270 1306104637 /nfs/dbraw/zinc/10/46/37/1306104637.db2.gz WIHXPLNFUXPRKR-SECBINFHSA-N -1 1 334.641 3.012 20 10 EGCDMM O=C(NCCCSc1ccc(F)cc1)c1c(F)ccc(O)c1[O-] ZINC000789955199 1306236805 /nfs/dbraw/zinc/23/68/05/1306236805.db2.gz SIUQPXHBFDSMPE-UHFFFAOYSA-N -1 1 339.363 3.288 20 10 EGCDMM CCCCOc1cccc(CNC(=O)c2c(F)ccc(O)c2[O-])c1 ZINC000789956919 1306237095 /nfs/dbraw/zinc/23/70/95/1306237095.db2.gz KIZQYTLEHIJXIG-UHFFFAOYSA-N -1 1 333.359 3.346 20 10 EGCDMM CC(C)c1ccc(OCCNC(=O)c2c(F)ccc(O)c2[O-])cc1 ZINC000789956867 1306237337 /nfs/dbraw/zinc/23/73/37/1306237337.db2.gz JNVNFYFZHQEDGU-UHFFFAOYSA-N -1 1 333.359 3.169 20 10 EGCDMM C[C@@H]1C[C@H](O)CN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000894950429 1309132956 /nfs/dbraw/zinc/13/29/56/1309132956.db2.gz RZQIUISBMGLWOJ-KCJUWKMLSA-N -1 1 334.641 3.011 20 10 EGCDMM [O-]c1c(Br)cc(Cl)cc1C[N@H+]1CCC2(COC2)C1 ZINC000895336954 1309288845 /nfs/dbraw/zinc/28/88/45/1309288845.db2.gz ZJIVHAHKNMZCNN-UHFFFAOYSA-N -1 1 332.625 3.030 20 10 EGCDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1cnc2ccccc2c1 ZINC000800842345 1310817592 /nfs/dbraw/zinc/81/75/92/1310817592.db2.gz XDHKYZNVXIIZOC-UHFFFAOYSA-N -1 1 328.393 3.304 20 10 EGCDMM CC(C)[C@]1(C)C[C@H]1NC(=O)NCc1cccc(Br)c1[O-] ZINC000838767953 1320813749 /nfs/dbraw/zinc/81/37/49/1320813749.db2.gz YPLOIGHQABLDHB-DOMZBBRYSA-N -1 1 341.249 3.389 20 10 EGCDMM CC[C@@H](NCc1nnnn1C1CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806148429 1317466064 /nfs/dbraw/zinc/46/60/64/1317466064.db2.gz UJJKAZROTBEMFK-GFCCVEGCSA-N -1 1 342.230 3.261 20 10 EGCDMM O=C1OCc2ccc(NCc3cccc(Br)c3[O-])cc21 ZINC000809787930 1317902140 /nfs/dbraw/zinc/90/21/40/1317902140.db2.gz GORHNUJPKAJRLA-UHFFFAOYSA-N -1 1 334.169 3.437 20 10 EGCDMM [O-]c1c(Br)cccc1CN1C[C@H](CO)c2ccccc21 ZINC000816637026 1319198684 /nfs/dbraw/zinc/19/86/84/1319198684.db2.gz PARKJDBQEVDLMJ-GFCCVEGCSA-N -1 1 334.213 3.251 20 10 EGCDMM CCCc1[nH]ccc1C(=O)NCc1cccc(Br)c1[O-] ZINC000817595915 1319410087 /nfs/dbraw/zinc/41/00/87/1319410087.db2.gz AITKWATXVBNGHG-UHFFFAOYSA-N -1 1 337.217 3.365 20 10 EGCDMM O=C(NC[C@@H]1CCC[C@H](C(F)(F)F)C1)c1c(F)ccc(O)c1[O-] ZINC000826763158 1320402470 /nfs/dbraw/zinc/40/24/70/1320402470.db2.gz CUYIDVYOBFGYCL-BDAKNGLRSA-N -1 1 335.297 3.335 20 10 EGCDMM CC[C@@H](C)CCNC(=O)NCc1cccc(Br)c1[O-] ZINC000852489621 1323197178 /nfs/dbraw/zinc/19/71/78/1323197178.db2.gz GMLXEPWTTXHLDN-SNVBAGLBSA-N -1 1 329.238 3.390 20 10 EGCDMM Cc1n[nH]c2cc(NC(=O)c3ccc(O)c([O-])c3Cl)cc(F)c12 ZINC001193229461 1367971987 /nfs/dbraw/zinc/97/19/87/1367971987.db2.gz JFJWDDJFZMHLFU-UHFFFAOYSA-N -1 1 335.722 3.327 20 10 EGCDMM O=c1cc(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)cc[nH]1 ZINC001212276402 1372681052 /nfs/dbraw/zinc/68/10/52/1372681052.db2.gz PLKURJIVCHOKLR-UHFFFAOYSA-N -1 1 332.315 3.012 20 10 EGCDMM Cc1cccc(OC2CCN(Cc3ccc(F)c(F)c3[O-])CC2)n1 ZINC001233079638 1376565825 /nfs/dbraw/zinc/56/58/25/1376565825.db2.gz IFZAPHCRSTZIPX-UHFFFAOYSA-N -1 1 334.366 3.417 20 10 EGCDMM Cc1cc(F)ccc1N1CCN(Cc2c([O-])ccc(F)c2F)CC1 ZINC001233335961 1376617761 /nfs/dbraw/zinc/61/77/61/1376617761.db2.gz SQPYJHMUJZJKGO-UHFFFAOYSA-N -1 1 336.357 3.440 20 10 EGCDMM O=C(c1ccccc1)N1CCCN(Cc2c([O-])ccc(F)c2F)CC1 ZINC001233335763 1376618447 /nfs/dbraw/zinc/61/84/47/1376618447.db2.gz KJSCURHSHWCKLD-UHFFFAOYSA-N -1 1 346.377 3.019 20 10 EGCDMM [O-]c1ccc(F)c(F)c1CN1Cc2cc(Br)cnc2C1 ZINC001233335238 1376618571 /nfs/dbraw/zinc/61/85/71/1376618571.db2.gz NDPJZBZRPPRTKD-UHFFFAOYSA-N -1 1 341.155 3.344 20 10 EGCDMM C[C@@](O)(C1CCN(Cc2c([O-])c(F)ccc2F)CC1)C(F)(F)F ZINC001139686124 1377934364 /nfs/dbraw/zinc/93/43/64/1377934364.db2.gz NZYALQZKBZIXGY-CQSZACIVSA-N -1 1 339.304 3.196 20 10 EGCDMM [O-]c1c(Br)cc(Cl)cc1CN1CCCC[C@@H](O)C1 ZINC001141367452 1378311336 /nfs/dbraw/zinc/31/13/36/1378311336.db2.gz ANHYESSTMYHJNE-LLVKDONJSA-N -1 1 334.641 3.155 20 10 EGCDMM O=C(CNc1ccc(-c2c[nH]c(=S)[nH]2)cc1)c1ccc([O-])c(O)c1 ZINC001170315554 1384289158 /nfs/dbraw/zinc/28/91/58/1384289158.db2.gz ZZXLFXMDLPCWEN-UHFFFAOYSA-N -1 1 341.392 3.071 20 10 EGCDMM O=C(CNc1c(Cl)nc(Cl)nc1Cl)c1ccc([O-])c(O)c1 ZINC001170322179 1384290711 /nfs/dbraw/zinc/29/07/11/1384290711.db2.gz GGYRRNAJSIVSSC-UHFFFAOYSA-N -1 1 348.573 3.143 20 10 EGCDMM CCN(CC)c1ccc(CNc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000736531949 1443108121 /nfs/dbraw/zinc/10/81/21/1443108121.db2.gz NHFDVKDMQZSTBX-UHFFFAOYSA-N -1 1 340.406 3.464 20 10 EGCDMM CN(C)c1cc(F)c(CN[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1F ZINC001573991276 961831131 /nfs/dbraw/zinc/83/11/31/961831131.db2.gz FUUHHFJKFXTFAJ-PBHICJAKSA-N -1 1 346.377 3.434 20 10 EGCDMM CC(=O)c1cc(Cl)cc(CN(C)Cc2nccn2C(F)F)c1[O-] ZINC000177348017 454854260 /nfs/dbraw/zinc/85/42/60/454854260.db2.gz XLWNRRXCZOIKHH-UHFFFAOYSA-N -1 1 343.761 3.472 20 10 EGCDMM Cc1nnnn1-c1cccc(NCc2c([O-])ccc(Cl)c2F)c1 ZINC000191401186 455483118 /nfs/dbraw/zinc/48/31/18/455483118.db2.gz UIPXCMJKXBZIKP-UHFFFAOYSA-N -1 1 333.754 3.081 20 10 EGCDMM O=C(NCc1cccc(Br)c1[O-])NC(C1CC1)C1CC1 ZINC000278437699 455835974 /nfs/dbraw/zinc/83/59/74/455835974.db2.gz SHTQWXCFKRZQMY-UHFFFAOYSA-N -1 1 339.233 3.143 20 10 EGCDMM CC[C@H](C)c1nnc([C@@H](C)N[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])[nH]1 ZINC000277231093 456735321 /nfs/dbraw/zinc/73/53/21/456735321.db2.gz MFEWRFDVBTYKLU-GARJFASQSA-N -1 1 333.392 3.344 20 10 EGCDMM O=C(C[NH2+]Cc1c([O-])cccc1Cl)N1CCCc2ccccc21 ZINC000733325615 575327769 /nfs/dbraw/zinc/32/77/69/575327769.db2.gz NIKJOQCLLPMTQL-UHFFFAOYSA-N -1 1 330.815 3.115 20 10 EGCDMM O=C([O-])C[N@H+](CCc1cccs1)Cc1cc(Cl)ccc1[O-] ZINC000739793665 576505785 /nfs/dbraw/zinc/50/57/85/576505785.db2.gz KRNFDYBIZJWSLA-UHFFFAOYSA-N -1 1 325.817 3.236 20 10 EGCDMM O=C([O-])C[N@@H+](CCc1cccs1)Cc1cc(Cl)ccc1[O-] ZINC000739793665 576505786 /nfs/dbraw/zinc/50/57/86/576505786.db2.gz KRNFDYBIZJWSLA-UHFFFAOYSA-N -1 1 325.817 3.236 20 10 EGCDMM CNC(=O)c1ccc(C)c(NCc2cccc(Br)c2[O-])c1 ZINC000048796468 1291618765 /nfs/dbraw/zinc/61/87/65/1291618765.db2.gz XKXMNIJAYHKRJA-UHFFFAOYSA-N -1 1 349.228 3.435 20 10 EGCDMM Cn1c(=O)oc2cc(NCc3cccc(Br)c3[O-])ccc21 ZINC000127821635 1293574634 /nfs/dbraw/zinc/57/46/34/1293574634.db2.gz XYIULTODVKKSRT-UHFFFAOYSA-N -1 1 349.184 3.212 20 10 EGCDMM C[C@@H]1CC[C@H](C(=O)[O-])C[C@H]1[NH2+]Cc1c([O-])cccc1Br ZINC000871876923 1296585464 /nfs/dbraw/zinc/58/54/64/1296585464.db2.gz PZNTUIAJWFYAFE-GBIKHYSHSA-N -1 1 342.233 3.134 20 10 EGCDMM Cc1ccn2cc(CN[C@@H](C)c3cc([N+](=O)[O-])ccc3[O-])nc2c1 ZINC000756531853 1300516112 /nfs/dbraw/zinc/51/61/12/1300516112.db2.gz AFRVNPQOHPZPEE-LBPRGKRZSA-N -1 1 326.356 3.107 20 10 EGCDMM Cc1cccc2nc(CN[C@@H](C)c3cc([N+](=O)[O-])ccc3[O-])cn21 ZINC000756563255 1300522842 /nfs/dbraw/zinc/52/28/42/1300522842.db2.gz MMLNWOUDJSHZCM-LBPRGKRZSA-N -1 1 326.356 3.107 20 10 EGCDMM O=C(NCCc1ccccc1)NCc1cccc(Br)c1[O-] ZINC000764746772 1302126389 /nfs/dbraw/zinc/12/63/89/1302126389.db2.gz OBGGISVZALRQFW-UHFFFAOYSA-N -1 1 349.228 3.197 20 10 EGCDMM C[C@@H](CNC(=O)NCc1cccc(Br)c1[O-])C1CC1 ZINC000764790246 1302136994 /nfs/dbraw/zinc/13/69/94/1302136994.db2.gz IRXJGIQEKRHDBA-VIFPVBQESA-N -1 1 327.222 3.000 20 10 EGCDMM CCC(C)(C)c1cc(NCc2cc(F)cc(F)c2[O-])n(CCO)n1 ZINC000883106740 1302252177 /nfs/dbraw/zinc/25/21/77/1302252177.db2.gz CVUAHTBTNHGGEZ-UHFFFAOYSA-N -1 1 339.386 3.159 20 10 EGCDMM O=C(COC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1ccc([O-])c(O)c1 ZINC000784365247 1305235443 /nfs/dbraw/zinc/23/54/43/1305235443.db2.gz FFAFKYVOHRQWON-UMVBOHGHSA-N -1 1 332.396 3.430 20 10 EGCDMM CCOC(=O)[C@@H](C)N(Cc1cc(Cl)cc(C(C)=O)c1[O-])C1CC1 ZINC000787362461 1305738884 /nfs/dbraw/zinc/73/88/84/1305738884.db2.gz RIZMAVAXQOBPQG-SNVBAGLBSA-N -1 1 339.819 3.164 20 10 EGCDMM O=C1[N-]C(=S)S/C1=C/c1cnn(Cc2ccccc2)c1Cl ZINC000789128348 1306095201 /nfs/dbraw/zinc/09/52/01/1306095201.db2.gz SCTFCYISTIZDMD-IZZDOVSWSA-N -1 1 335.841 3.074 20 10 EGCDMM COc1ccc2c(c1)CCC[C@H]2CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000790000312 1306245149 /nfs/dbraw/zinc/24/51/49/1306245149.db2.gz VNXOMZNTLYCLTK-LBPRGKRZSA-N -1 1 345.370 3.095 20 10 EGCDMM CC(=O)c1cc(Cl)cc(CN2CCO[C@@H](C(C)(C)C)C2)c1[O-] ZINC000790425560 1306323512 /nfs/dbraw/zinc/32/35/12/1306323512.db2.gz BGKNDEIHGVXFCR-OAHLLOKOSA-N -1 1 325.836 3.495 20 10 EGCDMM CN1CCc2ccc(NCc3c([O-])ccc(Cl)c3F)cc2C1=O ZINC000790981005 1308903372 /nfs/dbraw/zinc/90/33/72/1308903372.db2.gz KQPQMLGZLNVOGH-UHFFFAOYSA-N -1 1 334.778 3.425 20 10 EGCDMM O=C(COC(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21)c1ccc([O-])c(O)c1 ZINC000803752618 1317151285 /nfs/dbraw/zinc/15/12/85/1317151285.db2.gz RTFUOHZBEHUGID-BPLDGKMQSA-N -1 1 332.396 3.430 20 10 EGCDMM Cc1cc(Br)c([O-])c(CNc2cc(C)cn(C)c2=O)c1 ZINC000902255120 1317552878 /nfs/dbraw/zinc/55/28/78/1317552878.db2.gz GHIPQJHKCJHTLU-UHFFFAOYSA-N -1 1 337.217 3.082 20 10 EGCDMM CCCc1nc(C)c(CNCc2cc(Cl)cc([N+](=O)[O-])c2[O-])o1 ZINC000813792692 1318633013 /nfs/dbraw/zinc/63/30/13/1318633013.db2.gz UZMIKNIVQISLEQ-UHFFFAOYSA-N -1 1 339.779 3.493 20 10 EGCDMM C[C@@H](Nc1ccc(F)c(NC(N)=O)c1)c1cc(F)cc(F)c1[O-] ZINC000815632076 1319031777 /nfs/dbraw/zinc/03/17/77/1319031777.db2.gz CGFIKBIZZQNBRB-SSDOTTSWSA-N -1 1 325.290 3.473 20 10 EGCDMM CC(=O)N[C@@H]1Cc2ccccc2N(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816566185 1319184840 /nfs/dbraw/zinc/18/48/40/1319184840.db2.gz NOOHNXVZSHLADI-CQSZACIVSA-N -1 1 348.805 3.252 20 10 EGCDMM [O-]c1c(F)cc(Cl)cc1CNc1ccc(COCCO)cc1 ZINC000822520504 1320093320 /nfs/dbraw/zinc/09/33/20/1320093320.db2.gz DTCZHHRLLKGQMI-UHFFFAOYSA-N -1 1 325.767 3.306 20 10 EGCDMM C[C@@H](NCc1nc2c(s1)CCCC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000926918955 1327776372 /nfs/dbraw/zinc/77/63/72/1327776372.db2.gz KLOHKZDDVOTHLJ-SNVBAGLBSA-N -1 1 333.413 3.487 20 10 EGCDMM [O-]c1c(Cl)cc(F)cc1CN1CCC[C@@H](C(F)(F)F)[C@H]1CO ZINC001237804749 1376986791 /nfs/dbraw/zinc/98/67/91/1376986791.db2.gz FJSVEIGSOHXZIX-ZYHUDNBSSA-N -1 1 341.732 3.320 20 10 EGCDMM CC(C)c1ccc(Cl)c(C(=O)NCC(=O)c2ccc([O-])c(O)c2)c1 ZINC001193864087 1368133747 /nfs/dbraw/zinc/13/37/47/1368133747.db2.gz VEDROOUYZMDOIL-UHFFFAOYSA-N -1 1 347.798 3.487 20 10 EGCDMM [O-]c1c(Cl)cc(Cl)cc1CN1CC[C@@H](Oc2ncccn2)C1 ZINC001203586975 1370179370 /nfs/dbraw/zinc/17/93/70/1370179370.db2.gz XQFFVDDSJXBGAN-GFCCVEGCSA-N -1 1 340.210 3.142 20 10 EGCDMM [O-]c1c(CN2CCN(C3(c4ccccc4)CC3)CC2)ccc(F)c1F ZINC001233078626 1376565657 /nfs/dbraw/zinc/56/56/57/1376565657.db2.gz BMCHFGIGSCUJAO-UHFFFAOYSA-N -1 1 344.405 3.477 20 10 EGCDMM [O-]c1ccc(F)c(F)c1CN1CCc2nn(-c3ccccc3)cc2C1 ZINC001233335582 1376618719 /nfs/dbraw/zinc/61/87/19/1376618719.db2.gz CDDHQQCGXHVLKB-UHFFFAOYSA-N -1 1 341.361 3.414 20 10 EGCDMM CC(C)(C)OC(=O)NC1CN(Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233416017 1376641449 /nfs/dbraw/zinc/64/14/49/1376641449.db2.gz SNQAIGOYOISTAF-UHFFFAOYSA-N -1 1 346.349 3.120 20 10 EGCDMM [O-]c1c(Cl)cc(F)cc1CN1CCC[C@H](Oc2cnccn2)C1 ZINC001237802615 1376987708 /nfs/dbraw/zinc/98/77/08/1376987708.db2.gz MPCAFMGFOMRVMH-ZDUSSCGKSA-N -1 1 337.782 3.018 20 10 EGCDMM Cc1ccncc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001251383808 1377085760 /nfs/dbraw/zinc/08/57/60/1377085760.db2.gz IJATYARWMLEXNH-UHFFFAOYSA-N -1 1 333.196 3.203 20 10 EGCDMM CC(C)(C)OC(=O)N1CCN(Cc2c([O-])cccc2F)C2(CC2)C1 ZINC001137832902 1377624370 /nfs/dbraw/zinc/62/43/70/1377624370.db2.gz LMUFUHSHGUJYLG-UHFFFAOYSA-N -1 1 336.407 3.117 20 10 EGCDMM CC(C)COC[C@H]1CN(Cc2cccc(F)c2[O-])Cc2ncn(C)c21 ZINC001138125729 1377680778 /nfs/dbraw/zinc/68/07/78/1377680778.db2.gz WJPWKYRGPGUFGL-OAHLLOKOSA-N -1 1 347.434 3.037 20 10 EGCDMM [O-]c1cccc(Cl)c1CN1CCn2c(Br)cnc2C1 ZINC001140341353 1378049210 /nfs/dbraw/zinc/04/92/10/1378049210.db2.gz JGIWVTOZMJFPRK-UHFFFAOYSA-N -1 1 342.624 3.020 20 10 EGCDMM CC[C@H](C)N1CC[C@]2(CCCN2Cc2c([O-])cc(F)cc2F)C1=O ZINC001272617289 1378076772 /nfs/dbraw/zinc/07/67/72/1378076772.db2.gz WKWNVHJQZHYMBO-KPZWWZAWSA-N -1 1 338.398 3.036 20 10 EGCDMM C[C@]1(CO)CCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001141367907 1378312118 /nfs/dbraw/zinc/31/21/18/1378312118.db2.gz WPQIZJCVSJDFFO-ZDUSSCGKSA-N -1 1 334.641 3.012 20 10 EGCDMM CC(=O)[C@@H]1CCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001141374654 1378313072 /nfs/dbraw/zinc/31/30/72/1378313072.db2.gz LVYAUWCJILCRLC-SECBINFHSA-N -1 1 332.625 3.219 20 10 EGCDMM [O-]c1cc(F)c(F)cc1CN1CCN(c2ccc(F)cc2F)CC1 ZINC001142524809 1378453361 /nfs/dbraw/zinc/45/33/61/1378453361.db2.gz LPLXSOUTEQBYJN-UHFFFAOYSA-N -1 1 340.320 3.271 20 10 EGCDMM Cc1cc(C)c(NC(=O)c2cc3cc(O)c([O-])cc3oc2=O)cc1C ZINC001155227859 1380426679 /nfs/dbraw/zinc/42/66/79/1380426679.db2.gz FYLOQEBCFODHNF-UHFFFAOYSA-N -1 1 339.347 3.382 20 10 EGCDMM CC1(C)CCc2cc(NCC(=O)c3ccc([O-])c(O)c3)ccc2O1 ZINC001170323358 1384290506 /nfs/dbraw/zinc/29/05/06/1384290506.db2.gz YIPGLZYOEUEKRL-UHFFFAOYSA-N -1 1 327.380 3.496 20 10 EGCDMM CCN(CC)c1c(F)cccc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001170321000 1384290700 /nfs/dbraw/zinc/29/07/00/1384290700.db2.gz UOHLRHKYXKTDPI-UHFFFAOYSA-N -1 1 332.375 3.378 20 10 EGCDMM COc1cncc(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)c1 ZINC001174091292 1385058749 /nfs/dbraw/zinc/05/87/49/1385058749.db2.gz YOPPVDSITWLMGN-UHFFFAOYSA-N -1 1 346.342 3.315 20 10 EGCDMM Oc1ccccc1CNc1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC000826511084 1425769917 /nfs/dbraw/zinc/76/99/17/1425769917.db2.gz BGZVBSYGVJZFJU-UHFFFAOYSA-N -1 1 335.289 3.203 20 10 EGCDMM CC[N@@H+](Cc1cccc(F)c1[O-])[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825435290 1427724337 /nfs/dbraw/zinc/72/43/37/1427724337.db2.gz SINCQPIROCSAHF-LBPRGKRZSA-N -1 1 341.390 3.295 20 10 EGCDMM CC[C@@H](C)[N@@H+](CC(=O)[O-])Cc1cc(C)cc(Br)c1[O-] ZINC001594979664 982772301 /nfs/dbraw/zinc/77/23/01/982772301.db2.gz XMZSAXQBVROLCY-SNVBAGLBSA-N -1 1 330.222 3.148 20 10 EGCDMM CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)c1[O-] ZINC001589267783 985950227 /nfs/dbraw/zinc/95/02/27/985950227.db2.gz IUGONPIDWBSEHK-PBHICJAKSA-N -1 1 337.803 3.077 20 10 EGCDMM CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)c1[O-] ZINC001589267783 985950245 /nfs/dbraw/zinc/95/02/45/985950245.db2.gz IUGONPIDWBSEHK-PBHICJAKSA-N -1 1 337.803 3.077 20 10 EGCDMM C[C@@H](N[C@@H](C)c1cc(C(=O)[O-])co1)c1ccc(N2CCOCC2)cc1 ZINC001593198176 994168702 /nfs/dbraw/zinc/16/87/02/994168702.db2.gz OBCZWVRHJZRPCR-KGLIPLIRSA-N -1 1 344.411 3.226 20 10 EGCDMM C[C@H](NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC001593288342 994653367 /nfs/dbraw/zinc/65/33/67/994653367.db2.gz GZLATOYBCBQFNY-LBPRGKRZSA-N -1 1 343.383 3.210 20 10 EGCDMM COCC(=O)N1CCc2cc(NCc3cccc(Cl)c3[O-])ccc21 ZINC000189963918 455262546 /nfs/dbraw/zinc/26/25/46/455262546.db2.gz OBWSWCMWAGQXDP-UHFFFAOYSA-N -1 1 346.814 3.193 20 10 EGCDMM C[C@@H](NCc1nnc2n1CCC2)c1ccc(Cl)c(Cl)c1[O-] ZINC000273411091 456228809 /nfs/dbraw/zinc/22/88/09/456228809.db2.gz PPZMPTSMMXJRST-MRVPVSSYSA-N -1 1 327.215 3.088 20 10 EGCDMM CC[C@H](C)c1nnc([C@H](C)N[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])[nH]1 ZINC000277231083 456735163 /nfs/dbraw/zinc/73/51/63/456735163.db2.gz MFEWRFDVBTYKLU-AXFHLTTASA-N -1 1 333.392 3.344 20 10 EGCDMM C[C@H]1CCC[C@@H]1NC(=O)NCc1cccc(Br)c1[O-] ZINC000277428236 456821483 /nfs/dbraw/zinc/82/14/83/456821483.db2.gz LRJKAQBAHNNSOO-CABZTGNLSA-N -1 1 327.222 3.143 20 10 EGCDMM COc1c([O-])c(C[N@H+]2C[C@H](C)C[C@@H]2c2cccnc2)ccc1[N+](=O)[O-] ZINC000364755942 457686989 /nfs/dbraw/zinc/68/69/89/457686989.db2.gz CUAQKAKWORQERM-MLGOLLRUSA-N -1 1 343.383 3.287 20 10 EGCDMM CC(=O)c1cc(Cl)cc(C[NH+]2CCC([C@@H]3CCOC3)CC2)c1[O-] ZINC000365037779 457725571 /nfs/dbraw/zinc/72/55/71/457725571.db2.gz PTZPNWIEIKCAFY-CQSZACIVSA-N -1 1 337.847 3.497 20 10 EGCDMM O=C1[N-]C(=S)S/C1=C\c1csc(-c2ccc3c(c2)OCO3)n1 ZINC000728437658 574749216 /nfs/dbraw/zinc/74/92/16/574749216.db2.gz GFWXPAQGBYNNEA-WCIBSUBMSA-N -1 1 348.430 3.028 20 10 EGCDMM CC(C)OC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000833505757 604768465 /nfs/dbraw/zinc/76/84/65/604768465.db2.gz NJEPTEDMFHWMIH-LBPRGKRZSA-N -1 1 336.215 3.009 20 10 EGCDMM O=S(=O)(Nc1ccc([O-])c(F)c1F)c1cccc2c1CCCC2 ZINC000830184831 1292680560 /nfs/dbraw/zinc/68/05/60/1292680560.db2.gz PNZYWGHBZVVJRF-UHFFFAOYSA-N -1 1 339.363 3.350 20 10 EGCDMM O=C(CC1CC(F)(F)C1)NCc1cccc(Br)c1[O-] ZINC000830529899 1292729237 /nfs/dbraw/zinc/72/92/37/1292729237.db2.gz REFPLMQSBXWRNT-UHFFFAOYSA-N -1 1 334.160 3.206 20 10 EGCDMM Cc1cc([N-]S(=O)(=O)c2ccccc2Br)ccc1O ZINC000148621774 1293884097 /nfs/dbraw/zinc/88/40/97/1293884097.db2.gz FHICZJCICCESOK-UHFFFAOYSA-N -1 1 342.214 3.264 20 10 EGCDMM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1O ZINC000156358486 1294140348 /nfs/dbraw/zinc/14/03/48/1294140348.db2.gz RNTPZZDJZHMZIL-UHFFFAOYSA-N -1 1 342.760 3.063 20 10 EGCDMM COc1cccc(CNC(=O)c2ccc(C(F)(F)F)cc2[O-])c1O ZINC000180493046 1294893968 /nfs/dbraw/zinc/89/39/68/1294893968.db2.gz MLNUSSHILKISGH-UHFFFAOYSA-N -1 1 341.285 3.055 20 10 EGCDMM Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)c(C)c1O ZINC000187062354 1295366162 /nfs/dbraw/zinc/36/61/62/1295366162.db2.gz QVDRALYEHXKEOG-UHFFFAOYSA-N -1 1 336.369 3.026 20 10 EGCDMM CSc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000192155222 1295737076 /nfs/dbraw/zinc/73/70/76/1295737076.db2.gz BZJGJTNOAIZPQA-UHFFFAOYSA-N -1 1 331.365 3.193 20 10 EGCDMM O=S(=O)([N-]c1ccc(O)cc1)c1cccc(OC(F)(F)F)c1 ZINC000193103449 1295834040 /nfs/dbraw/zinc/83/40/40/1295834040.db2.gz JLPGXPGLNOTIQN-UHFFFAOYSA-N -1 1 333.287 3.092 20 10 EGCDMM COc1cc(C(C)=O)ccc1SCC(=O)c1ccc([O-])c(O)c1 ZINC000749850620 1299287189 /nfs/dbraw/zinc/28/71/89/1299287189.db2.gz ZFECBCNIBXQLGV-UHFFFAOYSA-N -1 1 332.377 3.284 20 10 EGCDMM Cc1cc(O)ccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000755025557 1300269184 /nfs/dbraw/zinc/26/91/84/1300269184.db2.gz AMFOIHYJNHCBMG-UHFFFAOYSA-N -1 1 336.369 3.026 20 10 EGCDMM O=C(NCc1cccs1)NCc1cccc(Br)c1[O-] ZINC000764743024 1302125758 /nfs/dbraw/zinc/12/57/58/1302125758.db2.gz ABSUVGMJRKHNOQ-UHFFFAOYSA-N -1 1 341.230 3.216 20 10 EGCDMM O=C(CCc1cccs1)NCc1cccc(Br)c1[O-] ZINC000765737695 1302316353 /nfs/dbraw/zinc/31/63/53/1302316353.db2.gz VTBHOMJFIIMPKQ-UHFFFAOYSA-N -1 1 340.242 3.465 20 10 EGCDMM CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1cccc2c1CCCC2 ZINC000766047472 1302378665 /nfs/dbraw/zinc/37/86/65/1302378665.db2.gz JQDFOAYQHMHFQE-UHFFFAOYSA-N -1 1 345.420 3.274 20 10 EGCDMM O=C(c1ccc([O-])c(F)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000768325911 1302881042 /nfs/dbraw/zinc/88/10/42/1302881042.db2.gz WMLDXUYXBFUMIE-HNNXBMFYSA-N -1 1 345.370 3.058 20 10 EGCDMM Cc1nc(C(=O)NCc2cccc(Br)c2[O-])sc1C ZINC000772654967 1303559031 /nfs/dbraw/zinc/55/90/31/1303559031.db2.gz DTJJKYBCALXZPD-UHFFFAOYSA-N -1 1 341.230 3.158 20 10 EGCDMM [O-]c1c(F)cc(Cl)cc1CN1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000775137337 1303915854 /nfs/dbraw/zinc/91/58/54/1303915854.db2.gz KVXLQNRAQSWSPW-AMIZOPFISA-N -1 1 341.732 3.320 20 10 EGCDMM Cc1cc([N-]S(=O)(=O)c2ccc3c(cnn3C(C)C)c2)ccc1O ZINC000776747903 1304192727 /nfs/dbraw/zinc/19/27/27/1304192727.db2.gz QMIAXXGBMRXJQA-UHFFFAOYSA-N -1 1 345.424 3.432 20 10 EGCDMM O=C(OCC(=O)c1ccc([O-])c(O)c1)c1cc2cccc(F)c2o1 ZINC000783860385 1305153565 /nfs/dbraw/zinc/15/35/65/1305153565.db2.gz CCIGOLRIPMFMEM-UHFFFAOYSA-N -1 1 330.267 3.023 20 10 EGCDMM CC(C)(C)Oc1ccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC000784045384 1305181500 /nfs/dbraw/zinc/18/15/00/1305181500.db2.gz OJPDHEIIJPXRGG-UHFFFAOYSA-N -1 1 344.363 3.315 20 10 EGCDMM O=C(c1c([O-])c(O)ccc1F)N1CCC(Cc2cccc(F)c2)CC1 ZINC000789960237 1306237743 /nfs/dbraw/zinc/23/77/43/1306237743.db2.gz PINIFIYEXGQHMO-UHFFFAOYSA-N -1 1 347.361 3.471 20 10 EGCDMM [O-]c1c(F)cc(F)cc1CNc1ccccc1N1CCC(O)CC1 ZINC000894417051 1308868580 /nfs/dbraw/zinc/86/85/80/1308868580.db2.gz ZTTUDDQEEPDYBV-UHFFFAOYSA-N -1 1 334.366 3.244 20 10 EGCDMM CC(=O)c1cc(F)cc(C[N@H+]2[C@H](C)C[C@H](C)[C@H](C(=O)[O-])[C@H]2C)c1[O-] ZINC000903949956 1317755132 /nfs/dbraw/zinc/75/51/32/1317755132.db2.gz OOBJUQVHRVHUJZ-GFOPWETNSA-N -1 1 337.391 3.054 20 10 EGCDMM CC(=O)c1cc(F)cc(C[N@@H+]2[C@H](C)C[C@H](C)[C@H](C(=O)[O-])[C@H]2C)c1[O-] ZINC000903949956 1317755135 /nfs/dbraw/zinc/75/51/35/1317755135.db2.gz OOBJUQVHRVHUJZ-GFOPWETNSA-N -1 1 337.391 3.054 20 10 EGCDMM [O-]c1c(Br)cccc1CN1C[C@H](CO)Cc2ccccc21 ZINC000814169903 1318687073 /nfs/dbraw/zinc/68/70/73/1318687073.db2.gz OZZDKLLPWZKCOQ-GFCCVEGCSA-N -1 1 348.240 3.326 20 10 EGCDMM NC(=O)Nc1cc(NCc2cc(Cl)cc(F)c2[O-])ccc1F ZINC000816623425 1319197416 /nfs/dbraw/zinc/19/74/16/1319197416.db2.gz BYCWHPREYOOPSN-UHFFFAOYSA-N -1 1 327.718 3.427 20 10 EGCDMM Cc1cc(Br)cc(C[N@H+]2C[C@H](C)C[C@H](C(=O)[O-])C2)c1O ZINC000817881705 1319451773 /nfs/dbraw/zinc/45/17/73/1319451773.db2.gz MTNLIZCQRVIYIE-SKDRFNHKSA-N -1 1 342.233 3.006 20 10 EGCDMM O=C(COC(=O)c1cc2c(s1)CCCC2)c1ccc([O-])c(O)c1 ZINC000916619232 1319686257 /nfs/dbraw/zinc/68/62/57/1319686257.db2.gz HVTYNXBBLQZIKB-UHFFFAOYSA-N -1 1 332.377 3.078 20 10 EGCDMM CS[C@@H]1CC[N@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000840113400 1321031122 /nfs/dbraw/zinc/03/11/22/1321031122.db2.gz MCXXFBFCCOYHJF-CQSZACIVSA-N -1 1 343.448 3.266 20 10 EGCDMM CS[C@@H]1CC[N@@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000840113400 1321031127 /nfs/dbraw/zinc/03/11/27/1321031127.db2.gz MCXXFBFCCOYHJF-CQSZACIVSA-N -1 1 343.448 3.266 20 10 EGCDMM Oc1ccc2c(c1)C[N@H+](Cc1c(O)cccc1Br)CC2 ZINC000862228166 1329468266 /nfs/dbraw/zinc/46/82/66/1329468266.db2.gz MFAOHASKPBEWGB-UHFFFAOYSA-N -1 1 334.213 3.419 20 10 EGCDMM C[N@H+](Cc1c(O)cccc1Br)[C@@H](CO)c1ccccc1 ZINC000862384311 1329480556 /nfs/dbraw/zinc/48/05/56/1329480556.db2.gz UZIHWRHPODMIPT-HNNXBMFYSA-N -1 1 336.229 3.320 20 10 EGCDMM CN(C)c1cc(F)c(CN[C@@H](CC(=O)[O-])c2cccs2)cc1F ZINC000864508920 1329620085 /nfs/dbraw/zinc/62/00/85/1329620085.db2.gz DZBXPQFCPNRPKX-ZDUSSCGKSA-N -1 1 340.395 3.398 20 10 EGCDMM CN(C)c1cc(F)c(CN[C@H](C(=O)[O-])c2ccsc2)cc1F ZINC000864510540 1329620163 /nfs/dbraw/zinc/62/01/63/1329620163.db2.gz XACNUIBHMGGZLY-AWEZNQCLSA-N -1 1 326.368 3.008 20 10 EGCDMM CC(C)(C)[C@H](CC(=O)[O-])[NH2+]Cc1c([O-])cccc1Br ZINC000864510086 1329620183 /nfs/dbraw/zinc/62/01/83/1329620183.db2.gz RPEXDDCURQKXOT-LBPRGKRZSA-N -1 1 330.222 3.134 20 10 EGCDMM O=C(COC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F)c1ccc([O-])c(O)c1 ZINC000869600242 1330530856 /nfs/dbraw/zinc/53/08/56/1330530856.db2.gz HYKUZPLQTAFRSJ-MNOVXSKESA-N -1 1 346.301 3.192 20 10 EGCDMM COc1cc(C(=O)NCc2c(C)cc(C)cc2O)cc(Cl)c1[O-] ZINC001191157937 1367435863 /nfs/dbraw/zinc/43/58/63/1367435863.db2.gz GTLYXPOJIDNMNR-UHFFFAOYSA-N -1 1 335.787 3.307 20 10 EGCDMM Cc1cc(O)cc(C)c1[N-]S(=O)(=O)c1cnc(Cl)cc1C ZINC001192357662 1367762090 /nfs/dbraw/zinc/76/20/90/1367762090.db2.gz FIYOCXFNGDLGRL-UHFFFAOYSA-N -1 1 326.805 3.167 20 10 EGCDMM CN(Cc1cnc(Cl)s1)C(=O)c1ccc(O)c([O-])c1Cl ZINC001193219573 1367970416 /nfs/dbraw/zinc/97/04/16/1367970416.db2.gz KUDSRCPTKSGWLH-UHFFFAOYSA-N -1 1 333.196 3.133 20 10 EGCDMM Cc1nc2c(NC(=O)c3ccc(O)c([O-])c3Cl)cccn2c1C ZINC001193219530 1367970340 /nfs/dbraw/zinc/97/03/40/1367970340.db2.gz JXSBMVMKMRYDBO-UHFFFAOYSA-N -1 1 331.759 3.268 20 10 EGCDMM O=C(Nc1ccccc1-c1ncc[nH]1)c1ccc(O)c([O-])c1Cl ZINC001193229512 1367972163 /nfs/dbraw/zinc/97/21/63/1367972163.db2.gz KIBFNNKCCLTJGN-UHFFFAOYSA-N -1 1 329.743 3.394 20 10 EGCDMM C[C@H]1C(=O)CCN(C(=O)c2ccc(O)c([O-])c2Cl)C12CCCC2 ZINC001193231989 1367972952 /nfs/dbraw/zinc/97/29/52/1367972952.db2.gz DNSFTBJGXQWXIQ-JTQLQIEISA-N -1 1 337.803 3.115 20 10 EGCDMM COc1cnccc1[C@@H](NC(=O)c1ccc(O)c([O-])c1Cl)C1CC1 ZINC001193255347 1367981011 /nfs/dbraw/zinc/98/10/11/1367981011.db2.gz VKRIQENNWPFSRS-HNNXBMFYSA-N -1 1 348.786 3.036 20 10 EGCDMM Cc1[nH]nc2cc(NC(=O)c3cc(O)c([O-])c(Cl)c3)cc(F)c12 ZINC001193624373 1368076533 /nfs/dbraw/zinc/07/65/33/1368076533.db2.gz BEJGNGFOTIEQQW-UHFFFAOYSA-N -1 1 335.722 3.327 20 10 EGCDMM COc1cc(C)c(S(=O)(=O)Nc2c(F)cc([O-])cc2F)c(C)c1 ZINC001196887408 1368707508 /nfs/dbraw/zinc/70/75/08/1368707508.db2.gz FIRWSPJGAPUQGW-UHFFFAOYSA-N -1 1 343.351 3.097 20 10 EGCDMM O=S(=O)([N-]c1ccc(O)cc1F)c1cc2c(s1)CCCC2 ZINC001187206486 1388071172 /nfs/dbraw/zinc/07/11/72/1388071172.db2.gz DCKWQIRRLQGURQ-UHFFFAOYSA-N -1 1 327.402 3.272 20 10 EGCDMM CC(C)(C)OC(=O)NC[C@@H]1CCCN1Cc1ccc(F)c(F)c1[O-] ZINC001233077489 1376564823 /nfs/dbraw/zinc/56/48/23/1376564823.db2.gz PUTQAQYZQASMKP-LBPRGKRZSA-N -1 1 342.386 3.160 20 10 EGCDMM Cc1noc(C2CCN(Cc3cc(F)cc(Cl)c3[O-])CC2)n1 ZINC001237805819 1376987723 /nfs/dbraw/zinc/98/77/23/1376987723.db2.gz ONBDJWTUZFSFTA-UHFFFAOYSA-N -1 1 325.771 3.256 20 10 EGCDMM COC(=O)c1ccc(C2CN(Cc3c(F)ccc(F)c3[O-])C2)cc1 ZINC001139687829 1377934342 /nfs/dbraw/zinc/93/43/42/1377934342.db2.gz QRWZHQJSGKXIDY-UHFFFAOYSA-N -1 1 333.334 3.056 20 10 EGCDMM CC(C)(C)OC(=O)NCCC1CN(Cc2c([O-])cc(F)cc2F)C1 ZINC001140583786 1378090195 /nfs/dbraw/zinc/09/01/95/1378090195.db2.gz SJROTOHQADCBAY-UHFFFAOYSA-N -1 1 342.386 3.017 20 10 EGCDMM C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN1Cc1c([O-])cc(F)cc1F ZINC001140584844 1378090452 /nfs/dbraw/zinc/09/04/52/1378090452.db2.gz GVWOBCUSFKTVCM-PWSUYJOCSA-N -1 1 342.386 3.158 20 10 EGCDMM C[C@H]1CN(Cc2cc(Cl)cc(Br)c2[O-])CC[C@]1(C)O ZINC001141367773 1378312075 /nfs/dbraw/zinc/31/20/75/1378312075.db2.gz PNKOTILHLBWJRS-XPTSAGLGSA-N -1 1 348.668 3.401 20 10 EGCDMM C[C@@]1(CO)CCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001141367906 1378312308 /nfs/dbraw/zinc/31/23/08/1378312308.db2.gz WPQIZJCVSJDFFO-CYBMUJFWSA-N -1 1 334.641 3.012 20 10 EGCDMM CC[C@@]1(C(=O)[O-])CCC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000706649667 954954806 /nfs/dbraw/zinc/95/48/06/954954806.db2.gz RYYXJKDFSVRZSW-OAHLLOKOSA-N -1 1 342.233 3.232 20 10 EGCDMM CC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000706649667 954954820 /nfs/dbraw/zinc/95/48/20/954954820.db2.gz RYYXJKDFSVRZSW-OAHLLOKOSA-N -1 1 342.233 3.232 20 10 EGCDMM CC(=O)c1cc(F)cc(C[NH2+][C@H](C(=O)[O-])c2cc(C)cc(C)c2)c1[O-] ZINC000905392091 981111741 /nfs/dbraw/zinc/11/17/41/981111741.db2.gz QIWPMXCNHNRGMF-KRWDZBQOSA-N -1 1 345.370 3.266 20 10 EGCDMM CO[C@H](C[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-])c1ccccc1 ZINC001599046181 999152065 /nfs/dbraw/zinc/15/20/65/999152065.db2.gz CCQWMSVSBXXQIE-QGZVFWFLSA-N -1 1 349.814 3.320 20 10 EGCDMM CO[C@H](C[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-])c1ccccc1 ZINC001599046181 999152067 /nfs/dbraw/zinc/15/20/67/999152067.db2.gz CCQWMSVSBXXQIE-QGZVFWFLSA-N -1 1 349.814 3.320 20 10 EGCDMM C[C@@H](C(=O)N(C)Cc1cccc(F)c1)N(C)Cc1ccccc1O ZINC000109772394 454835764 /nfs/dbraw/zinc/83/57/64/454835764.db2.gz FOPYVQNCNONBSG-AWEZNQCLSA-N -1 1 330.403 3.010 20 10 EGCDMM CC[C@@H](CO)NC(=O)c1ccc(NCc2cccc(Cl)c2[O-])cc1 ZINC000280851685 456065724 /nfs/dbraw/zinc/06/57/24/456065724.db2.gz ZPVXLTRVEAJFCH-AWEZNQCLSA-N -1 1 348.830 3.158 20 10 EGCDMM COC(=O)CN(Cc1cc(Cl)cc(C(C)=O)c1[O-])C1CCCC1 ZINC000761957786 575000377 /nfs/dbraw/zinc/00/03/77/575000377.db2.gz NEEULPDFFNOTOT-UHFFFAOYSA-N -1 1 339.819 3.166 20 10 EGCDMM Oc1ccccc1C[N@H+](Cc1nnnn1-c1ccccc1)C1CCCC1 ZINC000731846380 575211791 /nfs/dbraw/zinc/21/17/91/575211791.db2.gz XMFMQFFUJBTEBP-UHFFFAOYSA-N -1 1 349.438 3.313 20 10 EGCDMM C[N@H+](Cc1cc(Br)ccc1[O-])C1(C(=O)[O-])CCCCC1 ZINC000312798780 604641413 /nfs/dbraw/zinc/64/14/13/604641413.db2.gz ANGNFEWTJGCUAU-UHFFFAOYSA-N -1 1 342.233 3.374 20 10 EGCDMM C[N@@H+](Cc1cc(Br)ccc1[O-])C1(C(=O)[O-])CCCCC1 ZINC000312798780 604641415 /nfs/dbraw/zinc/64/14/15/604641415.db2.gz ANGNFEWTJGCUAU-UHFFFAOYSA-N -1 1 342.233 3.374 20 10 EGCDMM COc1ccccc1-n1c(C)cc(C=C2SC(=O)[N-]C2=O)c1C ZINC000214280808 1296113372 /nfs/dbraw/zinc/11/33/72/1296113372.db2.gz JRMRTXFJVFLCKQ-OQLLNIDSSA-N -1 1 328.393 3.427 20 10 EGCDMM C[C@@H](NCC(F)(F)CNC(=O)OC(C)(C)C)c1ccc(F)cc1[O-] ZINC000310054231 1297086443 /nfs/dbraw/zinc/08/64/43/1297086443.db2.gz ZCCASUDGFUDIOY-SNVBAGLBSA-N -1 1 348.365 3.342 20 10 EGCDMM Cc1cccc(C)c1OC[C@H](C)NC(=O)c1c(F)ccc(O)c1[O-] ZINC000764438026 1302063042 /nfs/dbraw/zinc/06/30/42/1302063042.db2.gz NJQRQWGAIRCWBC-LBPRGKRZSA-N -1 1 333.359 3.051 20 10 EGCDMM C[C@H]1CC[C@@H](NC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000764802949 1302138792 /nfs/dbraw/zinc/13/87/92/1302138792.db2.gz AVQODRQTIFGTIN-GXSJLCMTSA-N -1 1 327.222 3.143 20 10 EGCDMM O=C(Nc1ccc(NCc2cc(F)cc(F)c2[O-])cc1)[C@H]1CCCO1 ZINC000882908002 1302157925 /nfs/dbraw/zinc/15/79/25/1302157925.db2.gz YVXAVDZZOSGTGW-MRXNPFEDSA-N -1 1 348.349 3.400 20 10 EGCDMM O=C(NCc1cccc(Br)c1[O-])c1ccc2c(c1)CCO2 ZINC000765753011 1302318029 /nfs/dbraw/zinc/31/80/29/1302318029.db2.gz LWSABSKIZQLPHW-UHFFFAOYSA-N -1 1 348.196 3.020 20 10 EGCDMM C[C@@H](N[C@@H](CCO)C(F)(F)F)c1cccc(C(F)(F)F)c1[O-] ZINC000886803268 1303603239 /nfs/dbraw/zinc/60/32/39/1303603239.db2.gz GSQHTFCSNSPJHJ-XCBNKYQSSA-N -1 1 331.256 3.375 20 10 EGCDMM CCN(C)c1ccc(CN(C)Cc2nc(=O)c3sccc3[n-]2)cc1 ZINC000773855585 1303746678 /nfs/dbraw/zinc/74/66/78/1303746678.db2.gz INKSFWJZWUBVAV-UHFFFAOYSA-N -1 1 342.468 3.485 20 10 EGCDMM CC[C@@H]1CN(Cc2cc(Cl)cc(F)c2[O-])[C@@H](CC)CN1C(C)=O ZINC000775720566 1304020697 /nfs/dbraw/zinc/02/06/97/1304020697.db2.gz LVNKFXMYRWLUTH-LSDHHAIUSA-N -1 1 342.842 3.406 20 10 EGCDMM O=C1c2ccccc2N[C@H](c2cccc(F)c2[O-])N1C[C@@H]1CCCO1 ZINC000778520271 1304458383 /nfs/dbraw/zinc/45/83/83/1304458383.db2.gz RJSRWFHKAHALLH-SGTLLEGYSA-N -1 1 342.370 3.277 20 10 EGCDMM Cc1c(NCc2ccc(N3CCN(C)CC3)cc2)cccc1C(=O)[O-] ZINC000789897437 1306228778 /nfs/dbraw/zinc/22/87/78/1306228778.db2.gz JRVYJWZMHIBEPJ-UHFFFAOYSA-N -1 1 339.439 3.057 20 10 EGCDMM O=C(N[C@@H]1CCOc2c(Cl)cccc21)c1c(F)ccc(O)c1[O-] ZINC000789964168 1306238611 /nfs/dbraw/zinc/23/86/11/1306238611.db2.gz ZZOMTIQMBFWXTP-LLVKDONJSA-N -1 1 337.734 3.144 20 10 EGCDMM CC(C)n1c(CNC(=O)c2c(F)ccc(O)c2[O-])nc2ccccc21 ZINC000789976477 1306241120 /nfs/dbraw/zinc/24/11/20/1306241120.db2.gz KPFMGKUHPZOJTC-UHFFFAOYSA-N -1 1 343.358 3.098 20 10 EGCDMM COc1cc(N(C)Cc2cc(F)cc(F)c2[O-])cc(OC)c1OC ZINC000894429325 1308877070 /nfs/dbraw/zinc/87/70/70/1308877070.db2.gz FXNIZNQLWHUAEZ-UHFFFAOYSA-N -1 1 339.338 3.333 20 10 EGCDMM O=C([O-])c1cc(NS(=O)(=O)c2csc3ccccc32)ccc1O ZINC000794756687 1309590247 /nfs/dbraw/zinc/59/02/47/1309590247.db2.gz ARQCVQCEYUPUIP-UHFFFAOYSA-N -1 1 349.389 3.106 20 10 EGCDMM CCc1ccccc1[C@@H]1C[C@H]1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000801882967 1316961642 /nfs/dbraw/zinc/96/16/42/1316961642.db2.gz ZLPBLNSVOQBSDE-JKSUJKDBSA-N -1 1 340.375 3.190 20 10 EGCDMM CNC(=O)OC[C@@H]1CCCCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000809779073 1317898204 /nfs/dbraw/zinc/89/82/04/1317898204.db2.gz CPCYVOTZFKALTB-LBPRGKRZSA-N -1 1 347.242 3.410 20 10 EGCDMM C[C@@H]1CN(Cc2cc(Cl)cc(F)c2[O-])c2ccccc2C(=O)N1 ZINC000811509674 1318188860 /nfs/dbraw/zinc/18/88/60/1318188860.db2.gz ZUBUCLZWEOBESX-SNVBAGLBSA-N -1 1 334.778 3.323 20 10 EGCDMM CN1C(=O)COc2cc(NCc3cc(Cl)c(F)cc3[O-])ccc21 ZINC000816599581 1319191517 /nfs/dbraw/zinc/19/15/17/1319191517.db2.gz RGOHRFFYDXRXNE-UHFFFAOYSA-N -1 1 336.750 3.152 20 10 EGCDMM O=C(Nc1c(-c2ccccn2)nc2ccccn21)c1ccc([O-])cc1F ZINC000820006425 1319822655 /nfs/dbraw/zinc/82/26/55/1319822655.db2.gz XHMWYZHCZBWGLO-UHFFFAOYSA-N -1 1 348.337 3.493 20 10 EGCDMM CC(C)c1ccccc1OCCNC(=O)c1c(F)ccc(O)c1[O-] ZINC000825805560 1320363451 /nfs/dbraw/zinc/36/34/51/1320363451.db2.gz IYWLBIAITBATPB-UHFFFAOYSA-N -1 1 333.359 3.169 20 10 EGCDMM [O-]c1ccc(Cl)c(F)c1CNc1nnc([C@@H]2CCCO2)s1 ZINC000865296024 1329684384 /nfs/dbraw/zinc/68/43/84/1329684384.db2.gz QGNUZEDCPNHTKE-JTQLQIEISA-N -1 1 329.784 3.500 20 10 EGCDMM COc1cccc(C(=O)[N-]c2c3nonc3ccc2Cl)c1[N+](=O)[O-] ZINC001323416983 1387367076 /nfs/dbraw/zinc/36/70/76/1387367076.db2.gz GGXOVHCOUKWVIM-UHFFFAOYSA-N -1 1 348.702 3.045 20 10 EGCDMM CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(O)c([O-])c1Cl ZINC001193232462 1367972004 /nfs/dbraw/zinc/97/20/04/1367972004.db2.gz KQXBLZPKLSIQMU-UHFFFAOYSA-N -1 1 348.830 3.480 20 10 EGCDMM O=C(NCc1cncc2ccccc21)c1ccc(O)c([O-])c1Cl ZINC001193246760 1367979381 /nfs/dbraw/zinc/97/93/81/1367979381.db2.gz AXLLKXPALOZACI-UHFFFAOYSA-N -1 1 328.755 3.229 20 10 EGCDMM O=C(N[C@@H]1CCc2c1c(F)ccc2F)c1ccc(O)c([O-])c1Cl ZINC001193253892 1367981110 /nfs/dbraw/zinc/98/11/10/1367981110.db2.gz CSPLGNSIXHYCNF-LLVKDONJSA-N -1 1 339.725 3.447 20 10 EGCDMM O=C(NCc1cc(Cl)c2cccnc2c1O)c1ccc([O-])cc1F ZINC001186337506 1387925114 /nfs/dbraw/zinc/92/51/14/1387925114.db2.gz LGFMARSLUGEUCC-UHFFFAOYSA-N -1 1 346.745 3.369 20 10 EGCDMM CCn1nccc1Nc1cc2c(cc1[O-])C(=O)c1ccccc1C2=O ZINC001205310684 1370716755 /nfs/dbraw/zinc/71/67/55/1370716755.db2.gz LPLGFMFBNKAYEZ-UHFFFAOYSA-N -1 1 333.347 3.128 20 10 EGCDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1c[nH]c(C(F)(F)F)c1 ZINC001325940847 1388092373 /nfs/dbraw/zinc/09/23/73/1388092373.db2.gz UKLJBVPJHVOYSX-UHFFFAOYSA-N -1 1 334.319 3.102 20 10 EGCDMM [O-]c1cccc(Cl)c1CN1CCn2c(nnc2C2CCCC2)C1 ZINC001116445557 1370913657 /nfs/dbraw/zinc/91/36/57/1370913657.db2.gz UNNJEMCGLNLKMS-UHFFFAOYSA-N -1 1 332.835 3.311 20 10 EGCDMM CC(=O)c1cc(-c2noc(-c3ccc([O-])c(O)c3Cl)n2)ccn1 ZINC001216954379 1373371293 /nfs/dbraw/zinc/37/12/93/1373371293.db2.gz XNRJVGKLEHMCJV-UHFFFAOYSA-N -1 1 331.715 3.066 20 10 EGCDMM CC(=O)c1cc(-c2noc(-c3ccc(O)c([O-])c3Cl)n2)ccn1 ZINC001216954379 1373371297 /nfs/dbraw/zinc/37/12/97/1373371297.db2.gz XNRJVGKLEHMCJV-UHFFFAOYSA-N -1 1 331.715 3.066 20 10 EGCDMM C[C@@H](Oc1c([O-])ccc2c1C(=O)c1ccccc1C2=O)C(F)(F)F ZINC001227580647 1375447463 /nfs/dbraw/zinc/44/74/63/1375447463.db2.gz RZEVRELOAIDWQV-MRVPVSSYSA-N -1 1 336.265 3.497 20 10 EGCDMM CC(C)(C)OC(=O)NC1CCN(Cc2c([O-])cc(F)cc2F)CC1 ZINC001140579630 1378089445 /nfs/dbraw/zinc/08/94/45/1378089445.db2.gz ATWNHNHNSYMTGP-UHFFFAOYSA-N -1 1 342.386 3.160 20 10 EGCDMM [O-]c1cc(F)c(F)cc1CN1CCN(c2ccc(Cl)cn2)CC1 ZINC001142526985 1378453608 /nfs/dbraw/zinc/45/36/08/1378453608.db2.gz FFDSOYVOLASOSJ-UHFFFAOYSA-N -1 1 339.773 3.041 20 10 EGCDMM CSc1nc2ccsc2c(NCC(=O)c2ccc([O-])c(O)c2)n1 ZINC001159277250 1381749813 /nfs/dbraw/zinc/74/98/13/1381749813.db2.gz RVSWAPOVCPTPJC-UHFFFAOYSA-N -1 1 347.421 3.119 20 10 EGCDMM COc1nc(NCC(=O)c2ccc([O-])c(O)c2)cc2cc(F)ccc21 ZINC001170316707 1384289359 /nfs/dbraw/zinc/28/93/59/1384289359.db2.gz ZHOKVGHDUMFYCY-UHFFFAOYSA-N -1 1 342.326 3.089 20 10 EGCDMM CN(C)c1ccc(C=CC(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)cc1 ZINC001180128728 1386706215 /nfs/dbraw/zinc/70/62/15/1386706215.db2.gz QYBKRAZVFRVAMF-LFYBBSHMSA-N -1 1 348.406 3.296 20 10 EGCDMM Cc1cccc(CNc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)c1O ZINC000826298335 1446279329 /nfs/dbraw/zinc/27/93/29/1446279329.db2.gz OIMOBNVDTCBSAY-UHFFFAOYSA-N -1 1 339.399 3.280 20 10 EGCDMM CC[C@H](C(=O)[O-])[N@@H+](C)Cc1cc(Cl)cc(Br)c1[O-] ZINC000708071527 954991040 /nfs/dbraw/zinc/99/10/40/954991040.db2.gz NFQSCKIWOQWDTG-SNVBAGLBSA-N -1 1 336.613 3.103 20 10 EGCDMM Cc1cc(Br)c([O-])c(C[N@@H+]2CCC[C@H](C)[C@@H]2C(=O)[O-])c1 ZINC000818631702 955420863 /nfs/dbraw/zinc/42/08/63/955420863.db2.gz NJFWMYPBDQHDJD-GXFFZTMASA-N -1 1 342.233 3.148 20 10 EGCDMM O=C([O-])C[C@H]1CSCC[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000091133426 958127445 /nfs/dbraw/zinc/12/74/45/958127445.db2.gz IWZUFCKZSMLROW-JTQLQIEISA-N -1 1 336.240 3.091 20 10 EGCDMM CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](Cc2ccccc2)C(=O)[O-])c1[O-] ZINC001588527944 958876389 /nfs/dbraw/zinc/87/63/89/958876389.db2.gz HAPBRUBCWIIYLD-INIZCTEOSA-N -1 1 347.798 3.034 20 10 EGCDMM CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@@H]32)c1[O-] ZINC000849346391 979497886 /nfs/dbraw/zinc/49/78/86/979497886.db2.gz RJWUBUWYEKTWAF-VYDXJSESSA-N -1 1 349.402 3.199 20 10 EGCDMM CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@@H]32)c1[O-] ZINC000849346391 979497888 /nfs/dbraw/zinc/49/78/88/979497888.db2.gz RJWUBUWYEKTWAF-VYDXJSESSA-N -1 1 349.402 3.199 20 10 EGCDMM CN(C)c1ccc(/C=C\C[N@@H+]2Cc3ccccc3[C@H](C(=O)[O-])C2)cc1 ZINC000901628610 980411398 /nfs/dbraw/zinc/41/13/98/980411398.db2.gz RNQCEUXBBLHGGD-KKHYBRAUSA-N -1 1 336.435 3.450 20 10 EGCDMM CN(C)c1ccc(/C=C\CN2Cc3ccccc3[C@H](C(=O)[O-])C2)cc1 ZINC000901628610 980411401 /nfs/dbraw/zinc/41/14/01/980411401.db2.gz RNQCEUXBBLHGGD-KKHYBRAUSA-N -1 1 336.435 3.450 20 10 EGCDMM CN(C)c1ccc(CNCc2ccc(C(=O)[O-])o2)c(C(F)(F)F)c1 ZINC000901662763 980432280 /nfs/dbraw/zinc/43/22/80/980432280.db2.gz PTVOIDBHBLTXLB-UHFFFAOYSA-N -1 1 342.317 3.352 20 10 EGCDMM COc1cccc(CN2CCC[C@H]2c2nc(C(=O)[O-])c(C)s2)c1O ZINC001599673797 994861745 /nfs/dbraw/zinc/86/17/45/994861745.db2.gz VNICVIAHSAFIMD-LBPRGKRZSA-N -1 1 348.424 3.201 20 10 EGCDMM COc1ccc2c(c1)C(=O)N(C1CC1)[C@@H](c1cccc(F)c1[O-])N2 ZINC000272219431 455880962 /nfs/dbraw/zinc/88/09/62/455880962.db2.gz PIITUWQWFNBUKK-KRWDZBQOSA-N -1 1 328.343 3.269 20 10 EGCDMM CC[C@@H](NCc1nnc2n1CCC2)c1cc(Cl)cc(Cl)c1[O-] ZINC000287868642 456080126 /nfs/dbraw/zinc/08/01/26/456080126.db2.gz XUIQTMCMDFEMEB-GFCCVEGCSA-N -1 1 341.242 3.478 20 10 EGCDMM C[C@@H]1CCN(C(=O)C2=CC(=O)CS2)CC[N@H+]1Cc1ccccc1 ZINC000743810123 576816199 /nfs/dbraw/zinc/81/61/99/576816199.db2.gz ADYGUHVOWSRKAN-CQSZACIVSA-N -1 1 330.453 3.190 20 10 EGCDMM CC(=O)c1cc(Cl)cc(C[N@H+](CC(=O)[O-])C2CCCC2)c1[O-] ZINC000825946805 602339133 /nfs/dbraw/zinc/33/91/33/602339133.db2.gz QUFIAARZTUROEV-UHFFFAOYSA-N -1 1 325.792 3.077 20 10 EGCDMM CC(=O)c1cc(Cl)cc(C[N@@H+](CC(=O)[O-])C2CCCC2)c1[O-] ZINC000825946805 602339136 /nfs/dbraw/zinc/33/91/36/602339136.db2.gz QUFIAARZTUROEV-UHFFFAOYSA-N -1 1 325.792 3.077 20 10 EGCDMM Cc1cc(O)ccc1[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000151875302 1293942519 /nfs/dbraw/zinc/94/25/19/1293942519.db2.gz ZSUFXSSMHWXGSB-UHFFFAOYSA-N -1 1 347.314 3.400 20 10 EGCDMM Cc1cc(CNCc2cc(Cl)cc(Br)c2[O-])no1 ZINC000708158294 1298237882 /nfs/dbraw/zinc/23/78/82/1298237882.db2.gz QPHJOMNPZVILJG-UHFFFAOYSA-N -1 1 331.597 3.394 20 10 EGCDMM CC(=O)c1cc(Cl)cc(CN2CCOC[C@H]2CC(C)C)c1[O-] ZINC000750046941 1299329638 /nfs/dbraw/zinc/32/96/38/1299329638.db2.gz JLBLWEAFNAHEES-OAHLLOKOSA-N -1 1 325.836 3.495 20 10 EGCDMM Cc1ccc2nc(CN[C@H](C)c3cc([N+](=O)[O-])ccc3[O-])cn2c1 ZINC000756536286 1300516320 /nfs/dbraw/zinc/51/63/20/1300516320.db2.gz UCMFDPWXNAFWNL-GFCCVEGCSA-N -1 1 326.356 3.107 20 10 EGCDMM C[C@H](Nc1cnn(Cc2ccncc2)c1)c1cc(F)cc(F)c1[O-] ZINC000756867291 1300580970 /nfs/dbraw/zinc/58/09/70/1300580970.db2.gz HWQRAFKXSPBAGL-NSHDSACASA-N -1 1 330.338 3.483 20 10 EGCDMM CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000758775501 1300953564 /nfs/dbraw/zinc/95/35/64/1300953564.db2.gz XVFVVIJCAVOQSW-UHFFFAOYSA-N -1 1 325.773 3.049 20 10 EGCDMM CCOC(=O)[C@@H](NCc1cc(Cl)cc(C(C)=O)c1[O-])C(C)(C)C ZINC000760916858 1301362069 /nfs/dbraw/zinc/36/20/69/1301362069.db2.gz PPDGWWRUCVAKCJ-OAHLLOKOSA-N -1 1 341.835 3.316 20 10 EGCDMM O=C(NCc1cccc(Br)c1[O-])c1cc(F)cc(F)c1 ZINC000765753854 1302319546 /nfs/dbraw/zinc/31/95/46/1302319546.db2.gz QYWPFYVORGCIFA-UHFFFAOYSA-N -1 1 342.139 3.363 20 10 EGCDMM CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1cc(C)c(F)c(C)c1 ZINC000766048306 1302377262 /nfs/dbraw/zinc/37/72/62/1302377262.db2.gz RJXUXQVMENXICK-UHFFFAOYSA-N -1 1 337.372 3.152 20 10 EGCDMM CCCCN(Cc1ccc([N+](=O)[O-])c(OC)c1[O-])CC(F)(F)F ZINC000774840538 1303865630 /nfs/dbraw/zinc/86/56/30/1303865630.db2.gz ODQUNFOEXFMIDB-UHFFFAOYSA-N -1 1 336.310 3.473 20 10 EGCDMM [O-]c1c(F)cc(Cl)cc1CN1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000775137340 1303915585 /nfs/dbraw/zinc/91/55/85/1303915585.db2.gz KVXLQNRAQSWSPW-SDBXPKJASA-N -1 1 341.732 3.320 20 10 EGCDMM [O-]c1c(F)cc(Cl)cc1CN1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000775689262 1304015145 /nfs/dbraw/zinc/01/51/45/1304015145.db2.gz GGEXERRUXPUHJR-CMPLNLGQSA-N -1 1 327.705 3.072 20 10 EGCDMM CCc1ccc(CCC(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC000782072445 1304911161 /nfs/dbraw/zinc/91/11/61/1304911161.db2.gz DHXZSWFMTDRPCW-UHFFFAOYSA-N -1 1 328.364 3.019 20 10 EGCDMM O=C(CCc1ccc(Cl)cc1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000782601211 1304993237 /nfs/dbraw/zinc/99/32/37/1304993237.db2.gz NPLBSRYYNXIVCQ-UHFFFAOYSA-N -1 1 334.755 3.110 20 10 EGCDMM O=C(COC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc([O-])c(O)c1 ZINC000783023221 1305038014 /nfs/dbraw/zinc/03/80/14/1305038014.db2.gz GPWXIUCQHNPOGZ-GHMZBOCLSA-N -1 1 346.301 3.192 20 10 EGCDMM Cc1nc(CC(C)C)sc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783440458 1305091860 /nfs/dbraw/zinc/09/18/60/1305091860.db2.gz XJYSXKOUXGAPQM-UHFFFAOYSA-N -1 1 349.408 3.101 20 10 EGCDMM Cc1c(NCc2cccc(Cl)c2[O-])cccc1N1CCNC1=O ZINC000787313164 1305730861 /nfs/dbraw/zinc/73/08/61/1305730861.db2.gz VJONYPSSUSARBN-UHFFFAOYSA-N -1 1 331.803 3.496 20 10 EGCDMM CCN(Cc1c(F)cccc1F)C(=O)c1c([O-])c(O)ccc1F ZINC000789968298 1306240456 /nfs/dbraw/zinc/24/04/56/1306240456.db2.gz ZYJMOEWYIQLQSK-UHFFFAOYSA-N -1 1 325.286 3.177 20 10 EGCDMM O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)c1c(F)ccc(O)c1[O-] ZINC000789994866 1306243831 /nfs/dbraw/zinc/24/38/31/1306243831.db2.gz GSQYLBPUFKUHPI-UHFFFAOYSA-N -1 1 337.257 3.303 20 10 EGCDMM Cn1c(=O)[nH]c2ccc(NCc3cccc(Br)c3[O-])cc21 ZINC000799740667 1310610646 /nfs/dbraw/zinc/61/06/46/1310610646.db2.gz YEYVDPSDDYGPDC-UHFFFAOYSA-N -1 1 348.200 3.359 20 10 EGCDMM CC[C@@H](Nc1cccc(OCC(N)=O)c1)c1cccc(Cl)c1[O-] ZINC000806152134 1317465817 /nfs/dbraw/zinc/46/58/17/1317465817.db2.gz OSKXFIGHXJWZBS-OAHLLOKOSA-N -1 1 334.803 3.473 20 10 EGCDMM O=S(=O)(Nc1cc(Cl)c([O-])cc1F)c1ccc(F)cc1F ZINC000808114758 1317626618 /nfs/dbraw/zinc/62/66/18/1317626618.db2.gz GYJWDSPCIGCKTA-UHFFFAOYSA-N -1 1 337.706 3.264 20 10 EGCDMM C[C@@H]1CN(Cc2c([O-])ccc(Cl)c2F)c2ccccc2C(=O)N1 ZINC000811509318 1318188411 /nfs/dbraw/zinc/18/84/11/1318188411.db2.gz OXUDLLJWVNNOFO-SNVBAGLBSA-N -1 1 334.778 3.323 20 10 EGCDMM C[C@@H]1CN(Cc2cc(Cl)c(F)cc2[O-])c2ccccc2C(=O)N1 ZINC000816613880 1319194988 /nfs/dbraw/zinc/19/49/88/1319194988.db2.gz HXKLRZFUMDHUHH-SNVBAGLBSA-N -1 1 334.778 3.323 20 10 EGCDMM O=C(COC(=O)c1ccc(Cl)cc1Cl)c1ccc([O-])c(O)c1 ZINC000916589412 1319680531 /nfs/dbraw/zinc/68/05/31/1319680531.db2.gz IFTPYVBXMFRILY-UHFFFAOYSA-N -1 1 341.146 3.444 20 10 EGCDMM O=C(Nc1ccc(C2OCCO2)cc1)c1ccc(O)c([O-])c1Cl ZINC001193229096 1367972759 /nfs/dbraw/zinc/97/27/59/1367972759.db2.gz DFMQGGCUKCQKIY-UHFFFAOYSA-N -1 1 335.743 3.049 20 10 EGCDMM Cc1cccnc1[C@H](NC(=O)c1ccc(O)c([O-])c1Cl)C1CC1 ZINC001193236384 1367975806 /nfs/dbraw/zinc/97/58/06/1367975806.db2.gz AFZWRKICZBYKKM-OAHLLOKOSA-N -1 1 332.787 3.336 20 10 EGCDMM COc1ccccc1C[C@H](C)[N@H+](C)Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231565305 1376265298 /nfs/dbraw/zinc/26/52/98/1376265298.db2.gz DPZPHFKIUYQGRL-ZDUSSCGKSA-N -1 1 329.396 3.162 20 10 EGCDMM COc1ccccc1C[C@H](C)[N@@H+](C)Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231565305 1376265301 /nfs/dbraw/zinc/26/53/01/1376265301.db2.gz DPZPHFKIUYQGRL-ZDUSSCGKSA-N -1 1 329.396 3.162 20 10 EGCDMM O=C1CN(Cc2cccc(F)c2[O-])CCN1c1ccc(Cl)cc1 ZINC001138129408 1377681152 /nfs/dbraw/zinc/68/11/52/1377681152.db2.gz BIVXJOZQHUJKCT-UHFFFAOYSA-N -1 1 334.778 3.034 20 10 EGCDMM O=C(CNc1nc(Cl)nc2sccc21)c1ccc([O-])c(O)c1 ZINC001170314064 1384288390 /nfs/dbraw/zinc/28/83/90/1384288390.db2.gz LQORGHDOYHNEFM-UHFFFAOYSA-N -1 1 335.772 3.051 20 10 EGCDMM CC(C)c1cnc(C(C)C)c(NCC(=O)c2ccc([O-])c(O)c2)n1 ZINC001170316394 1384289250 /nfs/dbraw/zinc/28/92/50/1384289250.db2.gz PHMLYVARXJKIHR-UHFFFAOYSA-N -1 1 329.400 3.429 20 10 EGCDMM Cc1cc(C)c(NC(=O)NCC(=O)c2ccc([O-])c(O)c2)c(C)c1 ZINC001182047063 1387098948 /nfs/dbraw/zinc/09/89/48/1387098948.db2.gz FWYKMPFMSUOETQ-UHFFFAOYSA-N -1 1 328.368 3.027 20 10 EGCDMM O=C([N-]c1c2nonc2ccc1Cl)c1coc(C2CCOCC2)n1 ZINC001346941307 1390987987 /nfs/dbraw/zinc/98/79/87/1390987987.db2.gz QOXVIVOYLLHLAI-UHFFFAOYSA-N -1 1 348.746 3.011 20 10 EGCDMM CC1CCN(c2ccc(CNc3cccc(-c4nnn[n-]4)n3)cc2)CC1 ZINC000736281795 1441865245 /nfs/dbraw/zinc/86/52/45/1441865245.db2.gz WYCPWPPANCZZHP-UHFFFAOYSA-N -1 1 349.442 3.110 20 10 EGCDMM CC[C@]1(C(=O)[O-])CCC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000706649664 954953007 /nfs/dbraw/zinc/95/30/07/954953007.db2.gz RYYXJKDFSVRZSW-HNNXBMFYSA-N -1 1 342.233 3.232 20 10 EGCDMM CC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000706649664 954953016 /nfs/dbraw/zinc/95/30/16/954953016.db2.gz RYYXJKDFSVRZSW-HNNXBMFYSA-N -1 1 342.233 3.232 20 10 EGCDMM O=C([O-])C[C@@H]1CSCC[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000091133427 958125743 /nfs/dbraw/zinc/12/57/43/958125743.db2.gz IWZUFCKZSMLROW-SNVBAGLBSA-N -1 1 336.240 3.091 20 10 EGCDMM CC(C)C[C@H](C[NH2+]Cc1ccc(Br)cc1[O-])CC(=O)[O-] ZINC001588894902 969902905 /nfs/dbraw/zinc/90/29/05/969902905.db2.gz OWABUVLBHPQDLE-NSHDSACASA-N -1 1 344.249 3.381 20 10 EGCDMM CCCOCc1ccccc1CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000294796390 455828460 /nfs/dbraw/zinc/82/84/60/455828460.db2.gz ICDGVIXAQUALTO-UHFFFAOYSA-N -1 1 333.359 3.094 20 10 EGCDMM O=C(NC[C@@H]1CCCO[C@@H]1c1ccccc1)c1c(F)ccc(O)c1[O-] ZINC000294896081 455831300 /nfs/dbraw/zinc/83/13/00/455831300.db2.gz RFSCWRYFKKDHGR-SCLBCKFNSA-N -1 1 345.370 3.135 20 10 EGCDMM O=C(NCc1cccc(Br)c1[O-])NCC1CCCC1 ZINC000277302612 456768653 /nfs/dbraw/zinc/76/86/53/456768653.db2.gz CEQTYSZFDXWGSN-UHFFFAOYSA-N -1 1 327.222 3.144 20 10 EGCDMM CSCCCCC(=O)NCc1cccc(Br)c1[O-] ZINC000277490704 456842601 /nfs/dbraw/zinc/84/26/01/456842601.db2.gz JJKWNVAQNKQMPQ-UHFFFAOYSA-N -1 1 332.263 3.304 20 10 EGCDMM CC(C)[C@]1(C)C[C@@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000765751981 1302317664 /nfs/dbraw/zinc/31/76/64/1302317664.db2.gz VMPWZJBARQNWKM-ABAIWWIYSA-N -1 1 326.234 3.453 20 10 EGCDMM O=S(=O)(Nc1ccc([O-])c(F)c1F)c1ccc2c(c1)CCCC2 ZINC000830184950 1292681207 /nfs/dbraw/zinc/68/12/07/1292681207.db2.gz SPNIJFFPEKIIIC-UHFFFAOYSA-N -1 1 339.363 3.350 20 10 EGCDMM CC(C)c1ccccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000093918107 1292937154 /nfs/dbraw/zinc/93/71/54/1292937154.db2.gz UIKAFXBEGORFMB-UHFFFAOYSA-N -1 1 348.424 3.139 20 10 EGCDMM C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc2ccccc2c1[O-] ZINC000186400026 1295324069 /nfs/dbraw/zinc/32/40/69/1295324069.db2.gz KCYDFECEWNZMNH-LBPRGKRZSA-N -1 1 337.375 3.318 20 10 EGCDMM O=C([O-])CC[C@@H]1CCCC[N@@H+]1Cc1cc(Br)ccc1[O-] ZINC000236423402 1296190409 /nfs/dbraw/zinc/19/04/09/1296190409.db2.gz YMKBGEHOMYBBTC-ZDUSSCGKSA-N -1 1 342.233 3.374 20 10 EGCDMM O=C([O-])CC[C@@H]1CCCC[N@H+]1Cc1cc(Br)ccc1[O-] ZINC000236423402 1296190420 /nfs/dbraw/zinc/19/04/20/1296190420.db2.gz YMKBGEHOMYBBTC-ZDUSSCGKSA-N -1 1 342.233 3.374 20 10 EGCDMM CC(=O)c1cc(Cl)cc(CN2CCC[C@@H]2c2ncccn2)c1[O-] ZINC000878976235 1300298115 /nfs/dbraw/zinc/29/81/15/1300298115.db2.gz RBYXHKVKDTWCHG-OAHLLOKOSA-N -1 1 331.803 3.375 20 10 EGCDMM CCc1nc(CNCc2ccc(N(CC)CC)cc2)ccc1C(=O)[O-] ZINC000756310402 1300466517 /nfs/dbraw/zinc/46/65/17/1300466517.db2.gz KRHMOSWYDFRRGA-UHFFFAOYSA-N -1 1 341.455 3.478 20 10 EGCDMM C[C@@H](Nc1cccc(N2CCNC2=O)c1)c1cc(F)cc(F)c1[O-] ZINC000756821203 1300571110 /nfs/dbraw/zinc/57/11/10/1300571110.db2.gz WXQIUZVGPXTLEG-SNVBAGLBSA-N -1 1 333.338 3.373 20 10 EGCDMM CC1(C)CC(CNC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000764802934 1302139732 /nfs/dbraw/zinc/13/97/32/1302139732.db2.gz AOFSEWCQSRPQGV-UHFFFAOYSA-N -1 1 341.249 3.390 20 10 EGCDMM CCc1ncnc(NCc2cccc(Br)c2[O-])c1F ZINC000764934806 1302169717 /nfs/dbraw/zinc/16/97/17/1302169717.db2.gz MLXZYGYOZWLVPX-UHFFFAOYSA-N -1 1 326.169 3.258 20 10 EGCDMM Cc1c(C[S@](C)=O)cccc1NCc1cc(F)cc(F)c1[O-] ZINC000883065307 1302229437 /nfs/dbraw/zinc/22/94/37/1302229437.db2.gz HNMNHZYZVIPDMN-QFIPXVFZSA-N -1 1 325.380 3.469 20 10 EGCDMM Cc1ccccc1CNC(=O)NCc1cccc(Br)c1[O-] ZINC000765454182 1302267852 /nfs/dbraw/zinc/26/78/52/1302267852.db2.gz SWPNBPWHJSDEMR-UHFFFAOYSA-N -1 1 349.228 3.463 20 10 EGCDMM CCCCSCC(=O)NCc1cccc(Br)c1[O-] ZINC000765753855 1302317773 /nfs/dbraw/zinc/31/77/73/1302317773.db2.gz RAHXTSWVCDESRZ-UHFFFAOYSA-N -1 1 332.263 3.304 20 10 EGCDMM O=C(NCc1cccc(Br)c1[O-])c1ccnc(C2CC2)c1 ZINC000765757639 1302318640 /nfs/dbraw/zinc/31/86/40/1302318640.db2.gz SGAGSEMQJGXFEV-UHFFFAOYSA-N -1 1 347.212 3.357 20 10 EGCDMM CCN(CC)c1ccc(CNC(=O)c2ccc([O-])c(F)c2)cc1F ZINC000768040672 1302808695 /nfs/dbraw/zinc/80/86/95/1302808695.db2.gz KYLHVULNDAUOFE-UHFFFAOYSA-N -1 1 334.366 3.447 20 10 EGCDMM N=C1Nc2nc3ccccc3n2[C@H](c2cc(Cl)cc(F)c2[O-])N1 ZINC000768266372 1302870691 /nfs/dbraw/zinc/87/06/91/1302870691.db2.gz QKRVPMIJNPCWRO-CYBMUJFWSA-N -1 1 331.738 3.031 20 10 EGCDMM [O-]c1c(Br)cccc1CNc1nnc(C2CC2)s1 ZINC000777508375 1304306448 /nfs/dbraw/zinc/30/64/48/1304306448.db2.gz WTQXSDYUCXPIDU-UHFFFAOYSA-N -1 1 326.219 3.496 20 10 EGCDMM Cc1cc(Br)c([O-])c(CN2CCOCC23CCC3)c1 ZINC000781907909 1304890211 /nfs/dbraw/zinc/89/02/11/1304890211.db2.gz HQRZRFAYGXRTAO-UHFFFAOYSA-N -1 1 326.234 3.218 20 10 EGCDMM O=C(Cc1ccc2ccccc2c1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000782417158 1304970118 /nfs/dbraw/zinc/97/01/18/1304970118.db2.gz DWSDQMICDTYTJP-UHFFFAOYSA-N -1 1 336.343 3.220 20 10 EGCDMM O=C(COC(=O)c1cc2ccc(Cl)cc2[nH]1)c1ccc([O-])c(O)c1 ZINC000782711237 1305006474 /nfs/dbraw/zinc/00/64/74/1305006474.db2.gz JLYXWQNCBGREAU-UHFFFAOYSA-N -1 1 345.738 3.272 20 10 EGCDMM Cc1ccc(CC(=O)OCC(=O)c2ccc([O-])c(O)c2)c(Cl)c1 ZINC000784153301 1305197871 /nfs/dbraw/zinc/19/78/71/1305197871.db2.gz UFSHLCDUXVNGBJ-UHFFFAOYSA-N -1 1 334.755 3.028 20 10 EGCDMM CN(CCOc1ccc(Cl)cc1)C(=O)c1c([O-])c(O)ccc1F ZINC000789938892 1306234505 /nfs/dbraw/zinc/23/45/05/1306234505.db2.gz IRPKEWOKUOIXIJ-UHFFFAOYSA-N -1 1 339.750 3.041 20 10 EGCDMM O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1c(F)ccc(O)c1[O-] ZINC000789987284 1306242212 /nfs/dbraw/zinc/24/22/12/1306242212.db2.gz SIYJZKWOTPDUGW-UHFFFAOYSA-N -1 1 348.761 3.344 20 10 EGCDMM C[C@H](CNC(=O)c1c([O-])c(O)ccc1F)Oc1ccc(Cl)cc1 ZINC000789985303 1306242759 /nfs/dbraw/zinc/24/27/59/1306242759.db2.gz DITLTNZCPHNRSA-SECBINFHSA-N -1 1 339.750 3.088 20 10 EGCDMM [O-]c1ccc(Cl)c(F)c1CNc1nncn1Cc1ccccc1 ZINC000790246214 1306281792 /nfs/dbraw/zinc/28/17/92/1306281792.db2.gz UAGCSWROZLSVQK-UHFFFAOYSA-N -1 1 332.766 3.437 20 10 EGCDMM Cc1cc(NCc2c([O-])ccc(Cl)c2F)ccc1-n1cnnn1 ZINC000790976693 1308901615 /nfs/dbraw/zinc/90/16/15/1308901615.db2.gz XSJGQZYVFOLFJR-UHFFFAOYSA-N -1 1 333.754 3.081 20 10 EGCDMM COc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2SC)cc1F ZINC000792702603 1309212602 /nfs/dbraw/zinc/21/26/02/1309212602.db2.gz BANIDUSBEHJBFJ-UHFFFAOYSA-N -1 1 343.401 3.063 20 10 EGCDMM Cc1cc(NCc2cccc(Cl)c2[O-])ccc1N1CCOCC1=O ZINC000897127325 1310193059 /nfs/dbraw/zinc/19/30/59/1310193059.db2.gz UWMPDUCNBQCWAO-UHFFFAOYSA-N -1 1 346.814 3.329 20 10 EGCDMM O=C(CC1CC(c2ccccc2)C1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000798733967 1310433488 /nfs/dbraw/zinc/43/34/88/1310433488.db2.gz CDRMHXMEZWPDBO-UHFFFAOYSA-N -1 1 340.375 3.408 20 10 EGCDMM O=C(COC(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]12)c1ccc([O-])c(O)c1 ZINC000803752619 1317151689 /nfs/dbraw/zinc/15/16/89/1317151689.db2.gz RTFUOHZBEHUGID-NWANDNLSSA-N -1 1 332.396 3.430 20 10 EGCDMM O=C1NCc2c1cccc2NCc1cccc(Br)c1[O-] ZINC000808418976 1317673710 /nfs/dbraw/zinc/67/37/10/1317673710.db2.gz AAPVOKIQTVOYOD-UHFFFAOYSA-N -1 1 333.185 3.010 20 10 EGCDMM O=C([O-])C[C@@H]([NH2+]Cc1c([O-])cccc1Br)C1CCCC1 ZINC000904044030 1317776052 /nfs/dbraw/zinc/77/60/52/1317776052.db2.gz YGHJDEGQUYLWSV-CYBMUJFWSA-N -1 1 342.233 3.278 20 10 EGCDMM COc1ccccc1N(CCO)Cc1cc(Cl)cc(F)c1[O-] ZINC000809792615 1317902766 /nfs/dbraw/zinc/90/27/66/1317902766.db2.gz BZCOWHBEGGULCU-UHFFFAOYSA-N -1 1 325.767 3.192 20 10 EGCDMM CS(=O)(=O)Cc1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1 ZINC000816523124 1319174463 /nfs/dbraw/zinc/17/44/63/1319174463.db2.gz DKOFGBXTBSSVCN-UHFFFAOYSA-N -1 1 343.807 3.341 20 10 EGCDMM COC(=O)c1cnc([C@@H](C)NCc2cccc(Cl)c2[O-])s1 ZINC000822497580 1320089864 /nfs/dbraw/zinc/08/98/64/1320089864.db2.gz GNUOHBBBTTZTRP-MRVPVSSYSA-N -1 1 326.805 3.140 20 10 EGCDMM O=C1CCCN1c1ccc(NCc2cc(Cl)cc(F)c2[O-])nc1 ZINC000825375632 1320333257 /nfs/dbraw/zinc/33/32/57/1320333257.db2.gz PDRFTSJTBIUNCO-UHFFFAOYSA-N -1 1 335.766 3.319 20 10 EGCDMM O=C(c1c([O-])c(O)ccc1F)N1CCC[C@H](Cc2ccccc2)C1 ZINC000825756189 1320360365 /nfs/dbraw/zinc/36/03/65/1320360365.db2.gz LEXPCFMOLJXLHD-CQSZACIVSA-N -1 1 329.371 3.332 20 10 EGCDMM O=S(=O)(Nc1c(F)cc([O-])cc1F)c1ccc(C2CC2)cc1 ZINC001190506901 1367280334 /nfs/dbraw/zinc/28/03/34/1367280334.db2.gz OJNIVKVEUJXVSN-UHFFFAOYSA-N -1 1 325.336 3.349 20 10 EGCDMM COc1ccc2cc(S(=O)(=O)[N-]c3ccc(O)c(F)c3)ccc2c1 ZINC001191963078 1367650403 /nfs/dbraw/zinc/65/04/03/1367650403.db2.gz IQRNKGQXGPKLIV-UHFFFAOYSA-N -1 1 347.367 3.494 20 10 EGCDMM COc1ccc(N2CCN(Cc3ccc(C(=O)[O-])cc3)CC2)c(C)c1 ZINC001204158776 1370394190 /nfs/dbraw/zinc/39/41/90/1370394190.db2.gz RCLLNMVFWXJMKM-UHFFFAOYSA-N -1 1 340.423 3.024 20 10 EGCDMM O=S(=O)([N-]c1cc(F)c(O)c(F)c1)c1cc2c(s1)CCCC2 ZINC001187208453 1388071995 /nfs/dbraw/zinc/07/19/95/1388071995.db2.gz BPSXTRMOIBJWEA-UHFFFAOYSA-N -1 1 345.392 3.412 20 10 EGCDMM Nc1ccccc1S(=O)(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC001210929077 1372455265 /nfs/dbraw/zinc/45/52/65/1372455265.db2.gz RYMOQMNMAKMUHY-UHFFFAOYSA-N -1 1 333.196 3.082 20 10 EGCDMM [O-]c1c(O)ccc(-c2nc(-c3cccn4ccnc34)no2)c1Cl ZINC001216953200 1373369861 /nfs/dbraw/zinc/36/98/61/1373369861.db2.gz DPEUGMOXZXVYIS-UHFFFAOYSA-N -1 1 328.715 3.116 20 10 EGCDMM C[C@@H]1C[C@H](Oc2c([O-])ccc3c2C(=O)c2ccccc2C3=O)CCO1 ZINC001227576784 1375446427 /nfs/dbraw/zinc/44/64/27/1375446427.db2.gz FAFAVWYPZXTFLG-VXGBXAGGSA-N -1 1 338.359 3.114 20 10 EGCDMM C[C@H](Oc1c([O-])ccc2c1C(=O)c1ccccc1C2=O)C(F)(F)F ZINC001227578289 1375446451 /nfs/dbraw/zinc/44/64/51/1375446451.db2.gz RZEVRELOAIDWQV-QMMMGPOBSA-N -1 1 336.265 3.497 20 10 EGCDMM O=C1CCC(Oc2c([O-])ccc3c2C(=O)c2ccccc2C3=O)CC1 ZINC001227580334 1375447280 /nfs/dbraw/zinc/44/72/80/1375447280.db2.gz MOVIYDCFPPAFHC-UHFFFAOYSA-N -1 1 336.343 3.058 20 10 EGCDMM CN(Cc1ccc(C(=O)[O-])cc1O)Cc1ncccc1C(F)(F)F ZINC001231446458 1376243553 /nfs/dbraw/zinc/24/35/53/1376243553.db2.gz JHAHTRYNNAMNBI-UHFFFAOYSA-N -1 1 340.301 3.136 20 10 EGCDMM [O-]c1c(CN2CCC(Oc3ccc(F)cn3)CC2)ccc(F)c1F ZINC001233079348 1376565609 /nfs/dbraw/zinc/56/56/09/1376565609.db2.gz AKEOUOMUSFYWFM-UHFFFAOYSA-N -1 1 338.329 3.248 20 10 EGCDMM Oc1cccc(Br)c1C[N@@H+]1CCC[C@@H]1c1cnccn1 ZINC001140100788 1378007822 /nfs/dbraw/zinc/00/78/22/1378007822.db2.gz BRIXOPRWBIHJQE-CQSZACIVSA-N -1 1 334.217 3.282 20 10 EGCDMM Oc1cccc(C[N@@H+]2CCc3cccc(O)c3C2)c1Br ZINC001140553105 1378084551 /nfs/dbraw/zinc/08/45/51/1378084551.db2.gz UXLRCCNJNRQRAZ-UHFFFAOYSA-N -1 1 334.213 3.419 20 10 EGCDMM C[C@H]1CN(Cc2cc(F)c(F)cc2[O-])CCN1C(=O)OC(C)(C)C ZINC001142508803 1378450925 /nfs/dbraw/zinc/45/09/25/1378450925.db2.gz LXUPFVLVRZDPKH-NSHDSACASA-N -1 1 342.386 3.112 20 10 EGCDMM [O-]c1cc(F)c(F)cc1CN1CCc2nn(-c3ccccc3)cc2C1 ZINC001142527065 1378453520 /nfs/dbraw/zinc/45/35/20/1378453520.db2.gz JDZSQGDZLWHSLZ-UHFFFAOYSA-N -1 1 341.361 3.414 20 10 EGCDMM CC(=O)[C@@H]1CCCN(Cc2cc(Br)c(F)cc2[O-])C1 ZINC001144306573 1378714452 /nfs/dbraw/zinc/71/44/52/1378714452.db2.gz HLJRJUPUBHPYLA-SNVBAGLBSA-N -1 1 330.197 3.095 20 10 EGCDMM CC(C)(C)CC(C)(C)NC(=O)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155234751 1380427643 /nfs/dbraw/zinc/42/76/43/1380427643.db2.gz UPRGJZHHOOBVQR-UHFFFAOYSA-N -1 1 333.384 3.149 20 10 EGCDMM C[C@@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1cc(Cl)cc(Br)c1[O-] ZINC001594220260 959364705 /nfs/dbraw/zinc/36/47/05/959364705.db2.gz UKFHRGBGMZNLQW-RDDDGLTNSA-N -1 1 348.624 3.246 20 10 EGCDMM C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1cc(Cl)cc(Br)c1[O-] ZINC001594220260 959364724 /nfs/dbraw/zinc/36/47/24/959364724.db2.gz UKFHRGBGMZNLQW-RDDDGLTNSA-N -1 1 348.624 3.246 20 10 EGCDMM COc1ccc(C=C2SC(=S)[N-]C2=O)cc1Br ZINC000002536922 258049824 /nfs/dbraw/zinc/04/98/24/258049824.db2.gz GHMFRMOSBCTITG-UITAMQMPSA-N -1 1 330.228 3.358 20 10 EGCDMM Cn1nc(-c2ccccc2)c(C=C2SC(=S)[N-]C2=O)c1Cl ZINC000115961836 455036242 /nfs/dbraw/zinc/03/62/42/455036242.db2.gz NVZDHFMRTVNUNQ-YFHOEESVSA-N -1 1 335.841 3.229 20 10 EGCDMM Cn1cc(Br)cc1C[N@@H+](C)Cc1cc(F)ccc1O ZINC000180272179 455153589 /nfs/dbraw/zinc/15/35/89/455153589.db2.gz QRLBPVHQBLSITA-UHFFFAOYSA-N -1 1 327.197 3.264 20 10 EGCDMM COc1c([O-])c(CN2CC(C)(C)[C@@H]2c2cccnc2)ccc1[N+](=O)[O-] ZINC000292824690 455762903 /nfs/dbraw/zinc/76/29/03/455762903.db2.gz QKASKKZLBZHUOD-KRWDZBQOSA-N -1 1 343.383 3.287 20 10 EGCDMM O=C(N[C@H]1CCO[C@H](c2ccc(F)cc2)C1)c1c(F)ccc(O)c1[O-] ZINC000294872912 455831354 /nfs/dbraw/zinc/83/13/54/455831354.db2.gz FFEKWAQZJHRDTO-WFASDCNBSA-N -1 1 349.333 3.026 20 10 EGCDMM COc1c([O-])c(CN2Cc3cccc(Cl)c3C2)ccc1[N+](=O)[O-] ZINC000377852111 458553571 /nfs/dbraw/zinc/55/35/71/458553571.db2.gz NOOPTDHSFRDZIL-UHFFFAOYSA-N -1 1 334.759 3.478 20 10 EGCDMM C[C@H]1CCN(C(=O)C2=CC(=O)CS2)CC[N@H+]1Cc1ccccc1 ZINC000743810121 576816149 /nfs/dbraw/zinc/81/61/49/576816149.db2.gz ADYGUHVOWSRKAN-AWEZNQCLSA-N -1 1 330.453 3.190 20 10 EGCDMM COCc1cccc(C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])c1 ZINC000833726243 604975555 /nfs/dbraw/zinc/97/55/55/604975555.db2.gz XTQRBRLPJBPPSJ-UHFFFAOYSA-N -1 1 349.814 3.279 20 10 EGCDMM COCc1cccc(C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])c1 ZINC000833726243 604975557 /nfs/dbraw/zinc/97/55/57/604975557.db2.gz XTQRBRLPJBPPSJ-UHFFFAOYSA-N -1 1 349.814 3.279 20 10 EGCDMM Cc1cccc2c1N[C@H](c1cccc(Br)c1[O-])NC2=O ZINC000124710934 1293483057 /nfs/dbraw/zinc/48/30/57/1293483057.db2.gz RPXARAINNSZFDE-AWEZNQCLSA-N -1 1 333.185 3.317 20 10 EGCDMM C[C@H](NCc1cc[nH]n1)c1cc(Br)cc(Cl)c1[O-] ZINC000756554115 1300519918 /nfs/dbraw/zinc/51/99/18/1300519918.db2.gz MTMWFWRZSHRPHS-ZETCQYMHSA-N -1 1 330.613 3.382 20 10 EGCDMM C[C@@H](Nc1cnn(Cc2ccncc2)c1)c1cc(F)cc(F)c1[O-] ZINC000756867288 1300581607 /nfs/dbraw/zinc/58/16/07/1300581607.db2.gz HWQRAFKXSPBAGL-LLVKDONJSA-N -1 1 330.338 3.483 20 10 EGCDMM COc1ccc(C(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765728988 1302315539 /nfs/dbraw/zinc/31/55/39/1302315539.db2.gz XCBMRJUKYRBJHU-UHFFFAOYSA-N -1 1 336.185 3.093 20 10 EGCDMM O=C(NCc1cccc(Br)c1[O-])c1scnc1Cl ZINC000765756863 1302319567 /nfs/dbraw/zinc/31/95/67/1302319567.db2.gz NIBYNTIQCQCULX-UHFFFAOYSA-N -1 1 347.621 3.195 20 10 EGCDMM O=C(COC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc([O-])c(O)c1 ZINC000783023224 1305037673 /nfs/dbraw/zinc/03/76/73/1305037673.db2.gz GPWXIUCQHNPOGZ-WDEREUQCSA-N -1 1 346.301 3.192 20 10 EGCDMM Cc1nc(CC(C)C)c(C(=O)OCC(=O)c2ccc([O-])c(O)c2)s1 ZINC000784085888 1305187987 /nfs/dbraw/zinc/18/79/87/1305187987.db2.gz REJHUYZGTIXEFO-UHFFFAOYSA-N -1 1 349.408 3.101 20 10 EGCDMM CCOC(=O)[C@H](C)N(Cc1cc(Cl)cc(C(C)=O)c1[O-])C1CC1 ZINC000787362460 1305738616 /nfs/dbraw/zinc/73/86/16/1305738616.db2.gz RIZMAVAXQOBPQG-JTQLQIEISA-N -1 1 339.819 3.164 20 10 EGCDMM CCn1c2ccccc2nc1[C@@H](C)NC(=O)c1c(F)ccc(O)c1[O-] ZINC000789972496 1306239425 /nfs/dbraw/zinc/23/94/25/1306239425.db2.gz HEHHKJQIYFADQC-SNVBAGLBSA-N -1 1 343.358 3.098 20 10 EGCDMM COc1ccc([C@@H](C)CCNC(=O)c2c(F)ccc(O)c2[O-])cc1 ZINC000789981940 1306243152 /nfs/dbraw/zinc/24/31/52/1306243152.db2.gz ZLOQOIONBVTKDU-NSHDSACASA-N -1 1 333.359 3.169 20 10 EGCDMM CC(=O)N1CCCN(Cc2cc(F)cc(F)c2[O-])c2ccccc21 ZINC000894786215 1309071597 /nfs/dbraw/zinc/07/15/97/1309071597.db2.gz CPUNGSPWNCHQSK-UHFFFAOYSA-N -1 1 332.350 3.434 20 10 EGCDMM COc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2[O-])c(O)c1 ZINC000794379240 1309514591 /nfs/dbraw/zinc/51/45/91/1309514591.db2.gz JWPHSGMWNICXHO-UHFFFAOYSA-N -1 1 341.285 3.055 20 10 EGCDMM O=C(COC(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]12)c1ccc([O-])c(O)c1 ZINC000803752590 1317151408 /nfs/dbraw/zinc/15/14/08/1317151408.db2.gz RTFUOHZBEHUGID-AEGPPILISA-N -1 1 332.396 3.430 20 10 EGCDMM CC(=O)c1cc(F)cc(C[N@H+]2[C@H](C)C[C@H](C)[C@H](C(=O)[O-])[C@@H]2C)c1[O-] ZINC000903949953 1317755211 /nfs/dbraw/zinc/75/52/11/1317755211.db2.gz OOBJUQVHRVHUJZ-BBKSZCTCSA-N -1 1 337.391 3.054 20 10 EGCDMM CC(=O)c1cc(F)cc(C[N@@H+]2[C@H](C)C[C@H](C)[C@H](C(=O)[O-])[C@@H]2C)c1[O-] ZINC000903949953 1317755215 /nfs/dbraw/zinc/75/52/15/1317755215.db2.gz OOBJUQVHRVHUJZ-BBKSZCTCSA-N -1 1 337.391 3.054 20 10 EGCDMM CCOC(=O)c1cc(NCc2cc(Cl)cc(F)c2[O-])cn1C ZINC000809756898 1317891911 /nfs/dbraw/zinc/89/19/11/1317891911.db2.gz UYABZQXZUDRWQE-UHFFFAOYSA-N -1 1 326.755 3.312 20 10 EGCDMM Cc1cc(NCc2ccc(N3CCN(C)CC3)cc2)cc(C(=O)[O-])c1 ZINC000905756215 1317992137 /nfs/dbraw/zinc/99/21/37/1317992137.db2.gz WNQVGTQZNFRLPT-UHFFFAOYSA-N -1 1 339.439 3.057 20 10 EGCDMM CC(C)(CCC(=O)[O-])C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000911743635 1318764206 /nfs/dbraw/zinc/76/42/06/1318764206.db2.gz GGRBSQTZSBTHBU-UHFFFAOYSA-N -1 1 334.199 3.206 20 10 EGCDMM O=[N+]([O-])c1cc(Cl)cc(CN2C[C@@H](O)C[C@@H]2c2ccccc2)c1[O-] ZINC000840956385 1321185757 /nfs/dbraw/zinc/18/57/57/1321185757.db2.gz SSGQSNRQLIMALZ-LSDHHAIUSA-N -1 1 348.786 3.262 20 10 EGCDMM COc1ccccc1CCN(C)C(=O)c1ccc(O)c([O-])c1Cl ZINC001193224859 1367970941 /nfs/dbraw/zinc/97/09/41/1367970941.db2.gz CVGRNNIHKCHMER-UHFFFAOYSA-N -1 1 335.787 3.075 20 10 EGCDMM O=C(c1ccc(O)c([O-])c1Cl)N1CCC(c2ccccn2)CC1 ZINC001193225833 1367971020 /nfs/dbraw/zinc/97/10/20/1367971020.db2.gz SPTYKGQTWYLAKV-UHFFFAOYSA-N -1 1 332.787 3.166 20 10 EGCDMM O=C(c1ccc(O)c([O-])c1Cl)N1CCCC2(CC(F)C2)CC1 ZINC001193232781 1367972024 /nfs/dbraw/zinc/97/20/24/1367972024.db2.gz OIQDMYXQMYRTKQ-UHFFFAOYSA-N -1 1 327.783 3.496 20 10 EGCDMM CN(CCC(=O)c1cccs1)C(=O)c1ccc(O)c([O-])c1Cl ZINC001193232776 1367972556 /nfs/dbraw/zinc/97/25/56/1367972556.db2.gz ODYQVNPXJYWUJH-UHFFFAOYSA-N -1 1 339.800 3.158 20 10 EGCDMM O=C(c1ccc(F)cc1)c1ccccc1[N-]S(=O)(=O)C1CCC1 ZINC001188097593 1388241730 /nfs/dbraw/zinc/24/17/30/1388241730.db2.gz PKRUUPPMHULEJN-UHFFFAOYSA-N -1 1 333.384 3.351 20 10 EGCDMM Cc1ccc(Cl)cc1NC(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001188744339 1388371079 /nfs/dbraw/zinc/37/10/79/1388371079.db2.gz UENUUVKCOICCBD-UHFFFAOYSA-N -1 1 334.759 3.064 20 10 EGCDMM COC(=O)c1cccc2c1CCN(Cc1c([O-])ccc(F)c1F)C2 ZINC001233336557 1376621671 /nfs/dbraw/zinc/62/16/71/1376621671.db2.gz PVMOGSDUWJHLLT-UHFFFAOYSA-N -1 1 333.334 3.015 20 10 EGCDMM [O-]c1c(Cl)cc(F)cc1CN1CCC[C@@H](Oc2ncccn2)C1 ZINC001237802632 1376986955 /nfs/dbraw/zinc/98/69/55/1376986955.db2.gz NBWZQNAZSUGOKK-CYBMUJFWSA-N -1 1 337.782 3.018 20 10 EGCDMM O=C(N[C@@H]1CCCN(Cc2cc(F)cc(Cl)c2[O-])C1)C1CCC1 ZINC001237802416 1376987757 /nfs/dbraw/zinc/98/77/57/1376987757.db2.gz MHHNMNNVIGWTBP-CQSZACIVSA-N -1 1 340.826 3.065 20 10 EGCDMM C[C@@H]1CC[N@@H+](Cc2c([O-])cccc2F)C[C@H]1NC(=O)OC(C)(C)C ZINC001137831451 1377624439 /nfs/dbraw/zinc/62/44/39/1377624439.db2.gz ABKWGIPSPMPYOB-IUODEOHRSA-N -1 1 338.423 3.266 20 10 EGCDMM CC(C)(C)OC(=O)N1C[C@H]2[C@H]1CCCN2Cc1c([O-])cccc1F ZINC001137833231 1377625672 /nfs/dbraw/zinc/62/56/72/1377625672.db2.gz XTTNVQBDZWZNOK-CABCVRRESA-N -1 1 336.407 3.115 20 10 EGCDMM CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1CN2Cc1c([O-])cccc1F ZINC001137841606 1377627895 /nfs/dbraw/zinc/62/78/95/1377627895.db2.gz MDBRUVWYWDMJLE-STQMWFEESA-N -1 1 336.407 3.115 20 10 EGCDMM O=C1CN(Cc2c([O-])cccc2F)CCN1c1cccc(Cl)c1 ZINC001137840169 1377628135 /nfs/dbraw/zinc/62/81/35/1377628135.db2.gz SEAIYQQKZUQSRX-UHFFFAOYSA-N -1 1 334.778 3.034 20 10 EGCDMM CC(C)(C)OC(=O)N1CCN(Cc2cccc(F)c2[O-])C2(CC2)C1 ZINC001138123936 1377680848 /nfs/dbraw/zinc/68/08/48/1377680848.db2.gz SBLRCKWJFSTZLR-UHFFFAOYSA-N -1 1 336.407 3.117 20 10 EGCDMM Cc1cc(=O)oc2c1ccc([O-])c2CN1CCCC(F)(F)[C@H](F)C1 ZINC001139127621 1377834513 /nfs/dbraw/zinc/83/45/13/1377834513.db2.gz ZFQWYWQQGJKOOG-CQSZACIVSA-N -1 1 341.329 3.376 20 10 EGCDMM [O-]c1cc(F)c(F)cc1CN1CCN(Cc2ccc(F)cc2)CC1 ZINC001142501832 1378449498 /nfs/dbraw/zinc/44/94/98/1378449498.db2.gz BOKXRCUZMKXICJ-UHFFFAOYSA-N -1 1 336.357 3.127 20 10 EGCDMM C[C@@H]1C[C@@H](NC(=O)c2cc3cc(O)c([O-])cc3oc2=O)CC(C)(C)C1 ZINC001155235011 1380427576 /nfs/dbraw/zinc/42/75/76/1380427576.db2.gz VOSIPEJYXDELMU-ZYHUDNBSSA-N -1 1 345.395 3.149 20 10 EGCDMM COc1ccncc1Nc1cc2c(cc1[O-])C(=O)c1ccccc1C2=O ZINC001176123961 1385490689 /nfs/dbraw/zinc/49/06/89/1385490689.db2.gz ZXOVYQOEZCSHCE-UHFFFAOYSA-N -1 1 346.342 3.315 20 10 EGCDMM COCC1=CCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC001338249574 1389605413 /nfs/dbraw/zinc/60/54/13/1389605413.db2.gz AQQBAMSLFWLGIK-UHFFFAOYSA-N -1 1 330.197 3.072 20 10 EGCDMM CN(Cc1cccs1)c1ccc(CN2CC[C@@](F)(C(=O)[O-])C2)cc1 ZINC000901516894 980334049 /nfs/dbraw/zinc/33/40/49/980334049.db2.gz GWYUCCMYQOORMF-SFHVURJKSA-N -1 1 348.443 3.383 20 10 EGCDMM CCOc1cccc(CN2CCc3c(F)ccc(C(=O)[O-])c3C2)c1O ZINC001597155514 986949752 /nfs/dbraw/zinc/94/97/52/986949752.db2.gz NNHWIRNIFDERDV-UHFFFAOYSA-N -1 1 345.370 3.187 20 10 EGCDMM CO[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1(C)C ZINC000296014399 455866297 /nfs/dbraw/zinc/86/62/97/455866297.db2.gz MTCRWLBIPAZNAI-OAHLLOKOSA-N -1 1 325.836 3.495 20 10 EGCDMM O=C1CCCN1c1ccc(C[NH2+]Cc2c([O-])cccc2Cl)cc1 ZINC000264953351 455298390 /nfs/dbraw/zinc/29/83/90/455298390.db2.gz LKSQVEYYYOILFD-UHFFFAOYSA-N -1 1 330.815 3.462 20 10 EGCDMM COc1ncccc1C[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000184985049 455481337 /nfs/dbraw/zinc/48/13/37/455481337.db2.gz ZTRBNSWQVGBHKR-JTQLQIEISA-N -1 1 337.217 3.409 20 10 EGCDMM O=C(CCCn1cccc1)NCc1cccc(Br)c1[O-] ZINC000277553987 455597621 /nfs/dbraw/zinc/59/76/21/455597621.db2.gz OOQVPZJFZWKKOW-UHFFFAOYSA-N -1 1 337.217 3.053 20 10 EGCDMM CC[C@H](CSC)NC(=O)NCc1cccc(Br)c1[O-] ZINC000277604812 455612068 /nfs/dbraw/zinc/61/20/68/455612068.db2.gz VLHMMNFJXJEJRP-SNVBAGLBSA-N -1 1 347.278 3.096 20 10 EGCDMM COc1c([O-])c(CN(C)Cc2ccc(F)cc2F)ccc1[N+](=O)[O-] ZINC000278274833 455804039 /nfs/dbraw/zinc/80/40/39/455804039.db2.gz SEUNKFLAITZDNU-UHFFFAOYSA-N -1 1 338.310 3.219 20 10 EGCDMM Cc1cncc(CCC(=O)NCc2cccc(Br)c2[O-])c1 ZINC000295306883 455846271 /nfs/dbraw/zinc/84/62/71/455846271.db2.gz KIBWMABLPGYMOM-UHFFFAOYSA-N -1 1 349.228 3.107 20 10 EGCDMM CCc1cc2c(COC(=O)C3=CC(=O)CS3)cc(=O)oc2cc1[O-] ZINC000732354191 575261654 /nfs/dbraw/zinc/26/16/54/575261654.db2.gz HDBBVWFQEQNGGW-UHFFFAOYSA-N -1 1 346.360 3.185 20 10 EGCDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)c1C ZINC000156401510 1294142391 /nfs/dbraw/zinc/14/23/91/1294142391.db2.gz PRMWSZVRXGKFPV-UHFFFAOYSA-N -1 1 336.369 3.026 20 10 EGCDMM Cc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)ccc1O ZINC000191798297 1295709827 /nfs/dbraw/zinc/70/98/27/1295709827.db2.gz WTCMWVMRHCVZHA-UHFFFAOYSA-N -1 1 336.369 3.026 20 10 EGCDMM CCc1nn(C)cc1NCc1cc(Br)cc(F)c1[O-] ZINC000715777497 1298284979 /nfs/dbraw/zinc/28/49/79/1298284979.db2.gz HFIBNWICGSISNU-UHFFFAOYSA-N -1 1 328.185 3.202 20 10 EGCDMM C[C@@](O)(C1CCN(Cc2ccc(F)c(F)c2[O-])CC1)C(F)(F)F ZINC000877389195 1299272313 /nfs/dbraw/zinc/27/23/13/1299272313.db2.gz ARUXLCYUXRUYTB-CQSZACIVSA-N -1 1 339.304 3.196 20 10 EGCDMM O=C1N[C@H](c2cc(Cl)c(F)cc2[O-])Nc2cc(F)c(F)cc21 ZINC000877859094 1299612352 /nfs/dbraw/zinc/61/23/52/1299612352.db2.gz DXOLHEGHRXYJJQ-CYBMUJFWSA-N -1 1 328.677 3.317 20 10 EGCDMM Cc1cccc2nc(CN[C@H](C)c3cc([N+](=O)[O-])ccc3[O-])cn21 ZINC000756563250 1300523228 /nfs/dbraw/zinc/52/32/28/1300523228.db2.gz MMLNWOUDJSHZCM-GFCCVEGCSA-N -1 1 326.356 3.107 20 10 EGCDMM C[C@H](Nc1cccc(N2CCNC2=O)c1)c1cc(F)cc(F)c1[O-] ZINC000756821201 1300571061 /nfs/dbraw/zinc/57/10/61/1300571061.db2.gz WXQIUZVGPXTLEG-JTQLQIEISA-N -1 1 333.338 3.373 20 10 EGCDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc(O)cc2C)c1 ZINC000758151595 1300795995 /nfs/dbraw/zinc/79/59/95/1300795995.db2.gz SHMQRZVDAKUCOZ-UHFFFAOYSA-N -1 1 336.369 3.026 20 10 EGCDMM CC[C@H](C)[C@@H](C)NC(=O)NCc1cccc(Br)c1[O-] ZINC000764769944 1302130364 /nfs/dbraw/zinc/13/03/64/1302130364.db2.gz XDHPVBAUSYCMNS-VHSXEESVSA-N -1 1 329.238 3.389 20 10 EGCDMM Cc1cc(N2CCOCC2)ccc1NCc1cc(F)cc(F)c1[O-] ZINC000882906051 1302157975 /nfs/dbraw/zinc/15/79/75/1302157975.db2.gz IJMFVVCAUYUZKD-UHFFFAOYSA-N -1 1 334.366 3.428 20 10 EGCDMM CC(C)[C@@]1(C)C[C@@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000765751985 1302318099 /nfs/dbraw/zinc/31/80/99/1302318099.db2.gz VMPWZJBARQNWKM-IAQYHMDHSA-N -1 1 326.234 3.453 20 10 EGCDMM C[C@H](C(=O)NC(C)(C)C)N(C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000777218549 1304270545 /nfs/dbraw/zinc/27/05/45/1304270545.db2.gz ASXJDILZNWEDPW-SECBINFHSA-N -1 1 333.259 3.434 20 10 EGCDMM COc1ccccc1[C@H](C)CC(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783456911 1305093776 /nfs/dbraw/zinc/09/37/76/1305093776.db2.gz KQMCHGWPGXMFQK-GFCCVEGCSA-N -1 1 344.363 3.026 20 10 EGCDMM C[C@@H](CCc1cccc(F)c1)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783928129 1305164682 /nfs/dbraw/zinc/16/46/82/1305164682.db2.gz QAZBGAHMMHYTHC-LBPRGKRZSA-N -1 1 346.354 3.232 20 10 EGCDMM COc1ccc([C@H](C)CC(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC000784031950 1305180320 /nfs/dbraw/zinc/18/03/20/1305180320.db2.gz BPOHBCQWJNZKJS-GFCCVEGCSA-N -1 1 344.363 3.026 20 10 EGCDMM CCC(CC)n1nc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1C ZINC000784567980 1305259138 /nfs/dbraw/zinc/25/91/38/1305259138.db2.gz PQWBFMBIMSIBEM-UHFFFAOYSA-N -1 1 346.383 3.004 20 10 EGCDMM CCCCN(C)C(=O)C1CC[NH+](Cc2cc(F)cc(F)c2O)CC1 ZINC000893967782 1306154297 /nfs/dbraw/zinc/15/42/97/1306154297.db2.gz SKRWTKQEHRRLMQ-UHFFFAOYSA-N -1 1 340.414 3.141 20 10 EGCDMM Cc1nn(C)c(NCc2cc(F)cc(F)c2[O-])c1Br ZINC000902233607 1317549999 /nfs/dbraw/zinc/54/99/99/1317549999.db2.gz HZMQJZOJOJRCEB-UHFFFAOYSA-N -1 1 332.148 3.087 20 10 EGCDMM [O-]c1ccc(Cl)c(F)c1CNc1nc2cc(Cl)ccn2n1 ZINC000811840171 1318276865 /nfs/dbraw/zinc/27/68/65/1318276865.db2.gz PUPJUUZPEDPAMY-UHFFFAOYSA-N -1 1 327.146 3.493 20 10 EGCDMM [O-]c1cc(F)c(Cl)cc1CNc1cccc(Cn2cncn2)c1 ZINC000816523075 1319174884 /nfs/dbraw/zinc/17/48/84/1319174884.db2.gz BJFYSJZQBFQRKW-UHFFFAOYSA-N -1 1 332.766 3.437 20 10 EGCDMM CN(C)C(=O)OC1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000816655453 1319201520 /nfs/dbraw/zinc/20/15/20/1319201520.db2.gz FXVAAVRIRQHSNM-UHFFFAOYSA-N -1 1 347.242 3.362 20 10 EGCDMM O=C(NCc1ccc(N2CCCCC2)cc1)c1c(F)ccc(O)c1[O-] ZINC000825600747 1320349325 /nfs/dbraw/zinc/34/93/25/1320349325.db2.gz RDCCWTIQJHRRBB-UHFFFAOYSA-N -1 1 344.386 3.157 20 10 EGCDMM CCn1cc(C[N@@H+](Cc2cc(F)cc(C(C)=O)c2O)C(C)C)cn1 ZINC000844419215 1321604249 /nfs/dbraw/zinc/60/42/49/1321604249.db2.gz XVYNXVHHZGXMSE-UHFFFAOYSA-N -1 1 333.407 3.361 20 10 EGCDMM CC1(c2ccc(NC(=O)c3ccc(O)c([O-])c3Cl)cc2)COC1 ZINC001193229346 1367972637 /nfs/dbraw/zinc/97/26/37/1367972637.db2.gz IJADGJMUTFFKRW-UHFFFAOYSA-N -1 1 333.771 3.291 20 10 EGCDMM O=C1CCC[C@]2(CCCN(Cc3cc(Cl)cc(Cl)c3[O-])C2)N1 ZINC001203578472 1370177542 /nfs/dbraw/zinc/17/75/42/1370177542.db2.gz NASNLKLCKPSXJZ-MRXNPFEDSA-N -1 1 343.254 3.334 20 10 EGCDMM CC(C)(C)C(=O)NC1CCN(Cc2cc(F)cc(Cl)c2[O-])CC1 ZINC001237803158 1376987656 /nfs/dbraw/zinc/98/76/56/1376987656.db2.gz QZIZRJCGWXUXLJ-UHFFFAOYSA-N -1 1 342.842 3.311 20 10 EGCDMM C[C@H]1c2ncc(COCC3CC3)n2CCN1Cc1c([O-])cccc1F ZINC001137835822 1377625405 /nfs/dbraw/zinc/62/54/05/1377625405.db2.gz PAHVVBRHKPPXHF-ZDUSSCGKSA-N -1 1 345.418 3.231 20 10 EGCDMM [O-]c1cccc(F)c1CN1CCN(Cc2c(F)cccc2F)CC1 ZINC001137840296 1377628796 /nfs/dbraw/zinc/62/87/96/1377628796.db2.gz WLAYVDFIJMKAQO-UHFFFAOYSA-N -1 1 336.357 3.127 20 10 EGCDMM C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1c(F)ccc(F)c1[O-] ZINC001139690056 1377935144 /nfs/dbraw/zinc/93/51/44/1377935144.db2.gz NLEAJCZJNWYMAU-MNOVXSKESA-N -1 1 342.386 3.158 20 10 EGCDMM C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN1Cc1c(F)ccc(F)c1[O-] ZINC001139690056 1377935145 /nfs/dbraw/zinc/93/51/45/1377935145.db2.gz NLEAJCZJNWYMAU-MNOVXSKESA-N -1 1 342.386 3.158 20 10 EGCDMM Cc1nc([C@H]2COCCN2Cc2cc(F)c(F)cc2[O-])cs1 ZINC001142513157 1378450867 /nfs/dbraw/zinc/45/08/67/1378450867.db2.gz ZOUROESNKJWQEP-CQSZACIVSA-N -1 1 326.368 3.009 20 10 EGCDMM CCOc1ccc(N2CCN(Cc3sccc3C(=O)[O-])CC2)cc1 ZINC001144684721 1378760442 /nfs/dbraw/zinc/76/04/42/1378760442.db2.gz NFYWIORSQKHPBN-UHFFFAOYSA-N -1 1 346.452 3.167 20 10 EGCDMM Cc1ccc2ccc(C(=O)N3CCc4cccc(O)c4C3)c([O-])c2n1 ZINC001155653102 1380478973 /nfs/dbraw/zinc/47/89/73/1380478973.db2.gz UWWMKSRRIPIPBU-UHFFFAOYSA-N -1 1 334.375 3.153 20 10 EGCDMM O=C(CNc1cc(Cl)nc2c1CCCC2)c1ccc([O-])c(O)c1 ZINC001170313748 1384288338 /nfs/dbraw/zinc/28/83/38/1384288338.db2.gz DEQTYPFLEGNZDE-UHFFFAOYSA-N -1 1 332.787 3.320 20 10 EGCDMM O=C1c2ccccc2C(=O)c2cc(Nc3cncc(F)c3)c([O-])cc21 ZINC001174291548 1385093224 /nfs/dbraw/zinc/09/32/24/1385093224.db2.gz DJNJLHZDFRIRSN-UHFFFAOYSA-N -1 1 334.306 3.445 20 10 EGCDMM CN(Cc1c(O)ccc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000825953968 1425111982 /nfs/dbraw/zinc/11/19/82/1425111982.db2.gz UCZBIJOHTDTJPR-UHFFFAOYSA-N -1 1 331.379 3.362 20 10 EGCDMM Fc1cc(-c2nn[n-]n2)ccc1NCCCSc1nccs1 ZINC000826371999 1425489038 /nfs/dbraw/zinc/48/90/38/1425489038.db2.gz CBKYPNNBSICALC-UHFFFAOYSA-N -1 1 336.421 3.057 20 10 EGCDMM C[N@@H+](Cc1cccc(F)c1[O-])[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001598526133 992723593 /nfs/dbraw/zinc/72/35/93/992723593.db2.gz MVJAWBCFJPCMOG-CQSZACIVSA-N -1 1 343.276 3.206 20 10 EGCDMM COc1cc(Cl)cc(CN(C)Cc2cc(C(=O)[O-])c(C)o2)c1O ZINC001599420684 997589468 /nfs/dbraw/zinc/58/94/68/997589468.db2.gz OZAFHNCEHNRXAE-UHFFFAOYSA-N -1 1 339.775 3.286 20 10 EGCDMM C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N(C)Cc1ccccc1O ZINC000109769493 454835141 /nfs/dbraw/zinc/83/51/41/454835141.db2.gz VGKYNEAYFOEBBL-HILYYZTDSA-N -1 1 342.483 3.298 20 10 EGCDMM C[C@H](CNC(=O)[C@H](C)N(C)Cc1ccccc1O)c1ccccc1 ZINC000109769542 454835586 /nfs/dbraw/zinc/83/55/86/454835586.db2.gz QKZYWSIVJULJKG-CVEARBPZSA-N -1 1 326.440 3.132 20 10 EGCDMM C[C@H](NC(=O)CN(C)Cc1ccccc1O)c1ccc(Cl)cc1 ZINC000109770533 454835906 /nfs/dbraw/zinc/83/59/06/454835906.db2.gz IVVCFTFSAMBUHG-ZDUSSCGKSA-N -1 1 332.831 3.355 20 10 EGCDMM O=C(N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1c(F)ccc(O)c1[O-] ZINC000294872898 455830792 /nfs/dbraw/zinc/83/07/92/455830792.db2.gz FFEKWAQZJHRDTO-IUODEOHRSA-N -1 1 349.333 3.026 20 10 EGCDMM CCc1ccc([C@@H](COC)N[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])o1 ZINC000273557787 456239576 /nfs/dbraw/zinc/23/95/76/456239576.db2.gz HHRMDFQHBOYHHN-XHDPSFHLSA-N -1 1 334.372 3.494 20 10 EGCDMM C[C@H](OCCCNC(=O)c1c(F)ccc(O)c1[O-])c1ccccc1 ZINC000276576175 456519582 /nfs/dbraw/zinc/51/95/82/456519582.db2.gz LNSFYLGWTMPGBF-LBPRGKRZSA-N -1 1 333.359 3.135 20 10 EGCDMM CN(C)c1ccc(CN[C@H](CC(=O)[O-])c2ccc(F)cc2F)cc1 ZINC000277240273 456739517 /nfs/dbraw/zinc/73/95/17/456739517.db2.gz JDPHPVDYODVQTB-QGZVFWFLSA-N -1 1 334.366 3.336 20 10 EGCDMM Cc1cc(O)ccc1[N-]S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000175022653 1294535170 /nfs/dbraw/zinc/53/51/70/1294535170.db2.gz BPBJTJKXBVQLTD-UHFFFAOYSA-N -1 1 336.369 3.026 20 10 EGCDMM O=S(=O)([N-]c1ccc(O)cc1)c1ccc(F)cc1C(F)(F)F ZINC000182420199 1295045859 /nfs/dbraw/zinc/04/58/59/1295045859.db2.gz YBUJQWORHAMBOG-UHFFFAOYSA-N -1 1 335.278 3.351 20 10 EGCDMM CCCCn1cc(S(=O)(=O)[N-]c2ccc(O)cc2Cl)c(C)n1 ZINC000872377248 1296930642 /nfs/dbraw/zinc/93/06/42/1296930642.db2.gz YKFLCAWATCXNJK-UHFFFAOYSA-N -1 1 343.836 3.151 20 10 EGCDMM COCC(=O)Nc1ccc(N[C@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000756865552 1300581685 /nfs/dbraw/zinc/58/16/85/1300581685.db2.gz QTFHAIKWWWYNCC-SNVBAGLBSA-N -1 1 336.338 3.428 20 10 EGCDMM CCNC(=O)N1CCc2ccc(NCc3cc(F)cc(F)c3[O-])cc21 ZINC000883068432 1302229793 /nfs/dbraw/zinc/22/97/93/1302229793.db2.gz USGQBIFUQXEIPA-UHFFFAOYSA-N -1 1 347.365 3.375 20 10 EGCDMM COc1ccc2c(c1)C(=O)N(C)[C@@H](c1cc(Cl)cc(F)c1[O-])N2 ZINC000768275026 1302870406 /nfs/dbraw/zinc/87/04/06/1302870406.db2.gz ZGWMZYZMQHKBJO-HNNXBMFYSA-N -1 1 336.750 3.390 20 10 EGCDMM C[C@H](SCc1ccccc1)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783024278 1305037347 /nfs/dbraw/zinc/03/73/47/1305037347.db2.gz LLBTVZFACHROSL-LBPRGKRZSA-N -1 1 346.404 3.146 20 10 EGCDMM C[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)Cc1cc(F)cc(F)c1O ZINC000893945802 1306140204 /nfs/dbraw/zinc/14/02/04/1306140204.db2.gz HQVWCYLPJXPVTL-UHFFFAOYSA-N -1 1 346.377 3.195 20 10 EGCDMM CC(=O)N[C@@H]1Cc2ccccc2N(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792173373 1309135961 /nfs/dbraw/zinc/13/59/61/1309135961.db2.gz DUXCHGSVDLQPHH-CYBMUJFWSA-N -1 1 348.805 3.252 20 10 EGCDMM CC[C@@H](C)N(CC(=O)OC)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000799169325 1310498512 /nfs/dbraw/zinc/49/85/12/1310498512.db2.gz GEWQRWVCSXUNPY-SNVBAGLBSA-N -1 1 327.808 3.022 20 10 EGCDMM Nc1ccc(NCc2cccc(Br)c2[O-])c([N+](=O)[O-])c1 ZINC000804654216 1317269478 /nfs/dbraw/zinc/26/94/78/1317269478.db2.gz LEUIMVJKDSPECU-UHFFFAOYSA-N -1 1 338.161 3.257 20 10 EGCDMM Cc1cccc(F)c1S(=O)(=O)Nc1cc(Cl)c([O-])cc1F ZINC000808115191 1317627156 /nfs/dbraw/zinc/62/71/56/1317627156.db2.gz RXQHTQLUAJYNAV-UHFFFAOYSA-N -1 1 333.743 3.433 20 10 EGCDMM [O-]c1c(F)cc(F)cc1CNc1nnc(CC(F)(F)F)s1 ZINC000905411288 1317956231 /nfs/dbraw/zinc/95/62/31/1317956231.db2.gz GQOOHEXPGSWHKG-UHFFFAOYSA-N -1 1 325.262 3.239 20 10 EGCDMM Cc1ccc(-n2cnnn2)cc1NCc1cc(Cl)c(F)cc1[O-] ZINC000816525539 1319176234 /nfs/dbraw/zinc/17/62/34/1319176234.db2.gz YBFZCVBEOXJWEJ-UHFFFAOYSA-N -1 1 333.754 3.081 20 10 EGCDMM CNC(=O)c1ccc(OC)c(NCc2cc(Cl)c(F)cc2[O-])c1 ZINC000816525321 1319176365 /nfs/dbraw/zinc/17/63/65/1319176365.db2.gz OAOLGKSVBXSOOB-UHFFFAOYSA-N -1 1 338.766 3.165 20 10 EGCDMM CN1CCc2ccc(NCc3cc(Cl)c(F)cc3[O-])cc2C1=O ZINC000816563892 1319184184 /nfs/dbraw/zinc/18/41/84/1319184184.db2.gz MWKRBRULZFSLIB-UHFFFAOYSA-N -1 1 334.778 3.425 20 10 EGCDMM CC(C)(C)c1ccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC000916590108 1319679408 /nfs/dbraw/zinc/67/94/08/1319679408.db2.gz JOZFGTQRPNUTII-UHFFFAOYSA-N -1 1 328.364 3.435 20 10 EGCDMM Cc1cc(C(=O)Nc2c(C)[n-][nH]c2=O)c(C)n1-c1ccc(F)cc1 ZINC000820401660 1319883389 /nfs/dbraw/zinc/88/33/89/1319883389.db2.gz CFVHKTJQJMZMKB-UHFFFAOYSA-N -1 1 328.347 3.223 20 10 EGCDMM CCc1cccc2c1OCC[C@H]2NC(=O)c1c(F)ccc(O)c1[O-] ZINC000825683775 1320355010 /nfs/dbraw/zinc/35/50/10/1320355010.db2.gz UCFIDHFBCNJIQJ-CYBMUJFWSA-N -1 1 331.343 3.053 20 10 EGCDMM CCOC(=O)C[C@H](NCc1c([O-])cccc1Cl)C(F)(F)F ZINC000827006019 1320420027 /nfs/dbraw/zinc/42/00/27/1320420027.db2.gz KBJDFLRNUCLTBZ-NSHDSACASA-N -1 1 325.714 3.019 20 10 EGCDMM O=[N+]([O-])c1cc(Cl)cc(CN2CCC[C@@H](OC3CCC3)C2)c1[O-] ZINC000848925173 1322046825 /nfs/dbraw/zinc/04/68/25/1322046825.db2.gz PPBJCOTWJMXYDV-CQSZACIVSA-N -1 1 340.807 3.487 20 10 EGCDMM C[C@H](NCc1nc2c(s1)CCCC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000926918954 1327776426 /nfs/dbraw/zinc/77/64/26/1327776426.db2.gz KLOHKZDDVOTHLJ-JTQLQIEISA-N -1 1 333.413 3.487 20 10 EGCDMM CN(C)c1cc(F)c(CN[C@@H](CC(=O)[O-])c2ccsc2)cc1F ZINC000864503480 1329619450 /nfs/dbraw/zinc/61/94/50/1329619450.db2.gz CNFDOUPLCLUPOZ-AWEZNQCLSA-N -1 1 340.395 3.398 20 10 EGCDMM COc1cc(C(=O)Nc2cccc(C(F)(F)F)c2[O-])cc(O)c1O ZINC001193105064 1367945735 /nfs/dbraw/zinc/94/57/35/1367945735.db2.gz XGGITRCUVPLNLK-UHFFFAOYSA-N -1 1 343.257 3.083 20 10 EGCDMM O=C(NCCOc1cccc2ccoc21)c1ccc(O)c([O-])c1Cl ZINC001193255480 1367980695 /nfs/dbraw/zinc/98/06/95/1367980695.db2.gz YPMOGUJOQPHTHF-UHFFFAOYSA-N -1 1 347.754 3.306 20 10 EGCDMM CCCCc1ccc(NC(=O)NCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC001187748413 1388154580 /nfs/dbraw/zinc/15/45/80/1388154580.db2.gz YFOTXPTXRKQTJC-UHFFFAOYSA-N -1 1 342.395 3.445 20 10 EGCDMM COC(=O)[C@H](Cc1ccccc1)N(C)Cc1cccc(Cl)c1[O-] ZINC001231912838 1376349776 /nfs/dbraw/zinc/34/97/76/1376349776.db2.gz AYQBTZXUDCGWEI-INIZCTEOSA-N -1 1 333.815 3.262 20 10 EGCDMM O=C(c1ccc(Cl)cc1)N1CCN(Cc2c([O-])cccc2F)CC1 ZINC001137839562 1377628300 /nfs/dbraw/zinc/62/83/00/1377628300.db2.gz DDPOXCONKYEZPZ-UHFFFAOYSA-N -1 1 348.805 3.143 20 10 EGCDMM CC(C)(C)CC(=O)NC1CCN(Cc2c(F)ccc(F)c2[O-])CC1 ZINC001139687246 1377934299 /nfs/dbraw/zinc/93/42/99/1377934299.db2.gz JOXZRTILWLYJJX-UHFFFAOYSA-N -1 1 340.414 3.187 20 10 EGCDMM Cc1cccnc1OC1CCN(Cc2c(F)ccc(F)c2[O-])CC1 ZINC001139690096 1377935095 /nfs/dbraw/zinc/93/50/95/1377935095.db2.gz OMOCONYBZNMCCI-UHFFFAOYSA-N -1 1 334.366 3.417 20 10 EGCDMM Cc1cccnc1O[C@H]1CCC[N@@H+](Cc2c([O-])cc(F)cc2F)C1 ZINC001140585587 1378090281 /nfs/dbraw/zinc/09/02/81/1378090281.db2.gz PBBZQXPFYHBRNJ-AWEZNQCLSA-N -1 1 334.366 3.417 20 10 EGCDMM CC(C)CCC[C@H](C)NC(=O)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155233479 1380427551 /nfs/dbraw/zinc/42/75/51/1380427551.db2.gz BJEVSLOMBYIMPX-NSHDSACASA-N -1 1 333.384 3.149 20 10 EGCDMM Oc1cccc(Cl)c1CNc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826511220 1428707719 /nfs/dbraw/zinc/70/77/19/1428707719.db2.gz HLAMFKBTFVLYMV-UHFFFAOYSA-N -1 1 336.182 3.491 20 10 EGCDMM O=C([O-])CC[C@H]1CCC[N@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000691424778 954683601 /nfs/dbraw/zinc/68/36/01/954683601.db2.gz WZCXQYDAVZXQJC-LLVKDONJSA-N -1 1 342.233 3.232 20 10 EGCDMM O=C([O-])CC[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000691424778 954683606 /nfs/dbraw/zinc/68/36/06/954683606.db2.gz WZCXQYDAVZXQJC-LLVKDONJSA-N -1 1 342.233 3.232 20 10 EGCDMM CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H](CCC(=O)[O-])C2)c1[O-] ZINC000842471409 955597361 /nfs/dbraw/zinc/59/73/61/955597361.db2.gz ZDLFTCDTNXMZPO-GFCCVEGCSA-N -1 1 339.819 3.325 20 10 EGCDMM CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H](CCC(=O)[O-])C2)c1[O-] ZINC000842471409 955597372 /nfs/dbraw/zinc/59/73/72/955597372.db2.gz ZDLFTCDTNXMZPO-GFCCVEGCSA-N -1 1 339.819 3.325 20 10 EGCDMM O=C([O-])[C@@H](NCc1ccc2c(c1)CCCO2)c1cc(F)ccc1F ZINC000900028440 980237157 /nfs/dbraw/zinc/23/71/57/980237157.db2.gz HBYCWDZHHJBQNU-KRWDZBQOSA-N -1 1 333.334 3.205 20 10 EGCDMM CCCCN(CC(=O)c1cc(C(=O)[O-])[nH]c1C)Cc1ccccc1O ZINC001595741098 982400085 /nfs/dbraw/zinc/40/00/85/982400085.db2.gz CICKQJOHGWJRSD-UHFFFAOYSA-N -1 1 344.411 3.212 20 10 EGCDMM C[C@@]1([NH2+]Cc2ccc(Br)cc2[O-])CCCC[C@@H]1C(=O)[O-] ZINC001594059927 997826154 /nfs/dbraw/zinc/82/61/54/997826154.db2.gz GTUTZNCXFRRSOZ-IUODEOHRSA-N -1 1 342.233 3.278 20 10 EGCDMM O=C(CC[C@@H]1CCCCO1)NCc1cccc(Br)c1[O-] ZINC000277647006 455622939 /nfs/dbraw/zinc/62/29/39/455622939.db2.gz YPJCVTKWDOIJQM-LBPRGKRZSA-N -1 1 342.233 3.120 20 10 EGCDMM Cc1ccccc1OCCCN(C)C(=O)c1c(F)ccc(O)c1[O-] ZINC000276599505 456527245 /nfs/dbraw/zinc/52/72/45/456527245.db2.gz QZTCTGAKKMJFKR-UHFFFAOYSA-N -1 1 333.359 3.086 20 10 EGCDMM COc1c([O-])c(C[N@H+]2C[C@@H](C)C[C@@H]2c2cccnc2)ccc1[N+](=O)[O-] ZINC000364755940 457687320 /nfs/dbraw/zinc/68/73/20/457687320.db2.gz CUAQKAKWORQERM-BLLLJJGKSA-N -1 1 343.383 3.287 20 10 EGCDMM CCCN(CC(=O)c1[nH]c(C)c(C(=O)[O-])c1C)Cc1ccccc1O ZINC000737018948 576082238 /nfs/dbraw/zinc/08/22/38/576082238.db2.gz YBNMKVINDAWOBU-UHFFFAOYSA-N -1 1 344.411 3.130 20 10 EGCDMM CC(=O)c1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2CC(=O)[O-])c1[O-] ZINC000825946629 601389700 /nfs/dbraw/zinc/38/97/00/601389700.db2.gz ICGBZQYXFXXAGH-CYBMUJFWSA-N -1 1 325.792 3.077 20 10 EGCDMM CC(=O)c1cc(Cl)cc(C[N@H+]2CCCC[C@@H]2CC(=O)[O-])c1[O-] ZINC000825946629 601389703 /nfs/dbraw/zinc/38/97/03/601389703.db2.gz ICGBZQYXFXXAGH-CYBMUJFWSA-N -1 1 325.792 3.077 20 10 EGCDMM C[C@@H]1C[N@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C[C@@H]1C(=O)[O-] ZINC000828456262 601818696 /nfs/dbraw/zinc/81/86/96/601818696.db2.gz JVTYSUJLNOQNNY-YPMHNXCESA-N -1 1 329.396 3.170 20 10 EGCDMM C[C@@H]1C[N@@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C[C@@H]1C(=O)[O-] ZINC000828456262 601818697 /nfs/dbraw/zinc/81/86/97/601818697.db2.gz JVTYSUJLNOQNNY-YPMHNXCESA-N -1 1 329.396 3.170 20 10 EGCDMM CCOc1ccc(-c2nn[nH]n2)cc1NCc1cccc(Cl)c1[O-] ZINC000825631931 609476686 /nfs/dbraw/zinc/47/66/86/609476686.db2.gz JEDNLFHYMPVQKE-UHFFFAOYSA-N -1 1 345.790 3.237 20 10 EGCDMM Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccccc1Br ZINC000078005199 1292492475 /nfs/dbraw/zinc/49/24/75/1292492475.db2.gz HIHZJLFEZBBSEA-UHFFFAOYSA-N -1 1 342.214 3.264 20 10 EGCDMM CCOC(=O)CN(Cc1cc(Cl)cc(C(C)=O)c1[O-])C(C)C ZINC000177041474 1294649885 /nfs/dbraw/zinc/64/98/85/1294649885.db2.gz VSBTWPAMPKHPEL-UHFFFAOYSA-N -1 1 327.808 3.022 20 10 EGCDMM Cc1nc(CNCc2cc(Br)cc(F)c2[O-])cs1 ZINC000715761893 1298287342 /nfs/dbraw/zinc/28/73/42/1298287342.db2.gz VVZVEFKWANDWJF-UHFFFAOYSA-N -1 1 331.210 3.349 20 10 EGCDMM CN1CCCc2cc(CNC(=O)c3c([O-])cccc3Cl)ccc21 ZINC000746890119 1298680419 /nfs/dbraw/zinc/68/04/19/1298680419.db2.gz XEUKZKRJFKNRKL-UHFFFAOYSA-N -1 1 330.815 3.358 20 10 EGCDMM CC(C)(C)OC(=O)C1CCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC000876684209 1298918977 /nfs/dbraw/zinc/91/89/77/1298918977.db2.gz JWIJIYXHKONKPQ-UHFFFAOYSA-N -1 1 327.371 3.224 20 10 EGCDMM O=C1CCCN1Cc1ccc(NCc2cc(F)cc(F)c2[O-])cc1 ZINC000882908486 1302159595 /nfs/dbraw/zinc/15/95/95/1302159595.db2.gz SLEQLUCPRHPPSP-UHFFFAOYSA-N -1 1 332.350 3.405 20 10 EGCDMM Cc1cc(NCc2cc(F)cc(F)c2[O-])ccc1N1CCOCC1 ZINC000883086526 1302241818 /nfs/dbraw/zinc/24/18/18/1302241818.db2.gz XZQJRRUDPUTAFI-UHFFFAOYSA-N -1 1 334.366 3.428 20 10 EGCDMM C[C@@H](CC(=O)NCc1cccc(Br)c1[O-])c1ccncc1 ZINC000765752542 1302318533 /nfs/dbraw/zinc/31/85/33/1302318533.db2.gz XFASIJIXMNCGPJ-NSHDSACASA-N -1 1 349.228 3.360 20 10 EGCDMM CN(C)c1ccc(CN(C(=O)c2cc(F)ccc2[O-])C2CC2)cc1 ZINC000769672769 1303155789 /nfs/dbraw/zinc/15/57/89/1303155789.db2.gz RIKQDAYEXVOSKP-UHFFFAOYSA-N -1 1 328.387 3.402 20 10 EGCDMM [O-]c1c(Br)cccc1CNc1cnc2c(c1)COCC2 ZINC000776958104 1304224012 /nfs/dbraw/zinc/22/40/12/1304224012.db2.gz JYOZHMKOJHHGCG-UHFFFAOYSA-N -1 1 335.201 3.235 20 10 EGCDMM O=C(/C=C/Sc1ccccc1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000782152756 1304922820 /nfs/dbraw/zinc/92/28/20/1304922820.db2.gz RSOSXCUEKFIUMA-CMDGGOBGSA-N -1 1 330.361 3.130 20 10 EGCDMM Cc1c2cc(F)ccc2oc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000782622013 1304994492 /nfs/dbraw/zinc/99/44/92/1304994492.db2.gz YGIFCSHNQUXMSK-UHFFFAOYSA-N -1 1 344.294 3.331 20 10 EGCDMM COc1ccccc1[C@@H](C)CC(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783456912 1305094413 /nfs/dbraw/zinc/09/44/13/1305094413.db2.gz KQMCHGWPGXMFQK-LBPRGKRZSA-N -1 1 344.363 3.026 20 10 EGCDMM O=C(C[C@@H]1CCc2ccccc2C1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783633580 1305121535 /nfs/dbraw/zinc/12/15/35/1305121535.db2.gz QSMUCFCLDSAVOQ-CYBMUJFWSA-N -1 1 340.375 3.019 20 10 EGCDMM O=C(C=Cc1ccc2[nH]ccc2c1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784452714 1305246090 /nfs/dbraw/zinc/24/60/90/1305246090.db2.gz BXAROVNEOWUEMB-QHHAFSJGSA-N -1 1 337.331 3.018 20 10 EGCDMM C[C@H]1C[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])CC[C@H]1O ZINC000894498290 1308922420 /nfs/dbraw/zinc/92/24/20/1308922420.db2.gz VXUCMIUPKRYBGR-QPUJVOFHSA-N -1 1 334.641 3.011 20 10 EGCDMM CC[C@]1(O)CCC[N@@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000895444848 1309339747 /nfs/dbraw/zinc/33/97/47/1309339747.db2.gz UTZBFSUWMFFJID-AWEZNQCLSA-N -1 1 332.213 3.031 20 10 EGCDMM CNC(=O)COc1ccc(NCc2cccc(Cl)c2[O-])c(C)c1 ZINC000793403022 1309365346 /nfs/dbraw/zinc/36/53/46/1309365346.db2.gz PUIDRLAWEDVMLI-UHFFFAOYSA-N -1 1 334.803 3.091 20 10 EGCDMM [O-]c1c(Cl)cc(Cl)cc1CN1CC[C@@](CO)(C(F)(F)F)C1 ZINC000895848199 1309558390 /nfs/dbraw/zinc/55/83/90/1309558390.db2.gz YCTONDMGAAZAKO-GFCCVEGCSA-N -1 1 344.160 3.446 20 10 EGCDMM COc1cc([N-]S(=O)(=O)c2ccc3ccccc3c2)ccc1O ZINC000797820186 1310252063 /nfs/dbraw/zinc/25/20/63/1310252063.db2.gz KINGDMGPCSUNNT-UHFFFAOYSA-N -1 1 329.377 3.355 20 10 EGCDMM COCCO[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000802652840 1317023527 /nfs/dbraw/zinc/02/35/27/1317023527.db2.gz KSMUBNDJUGRQBB-CYBMUJFWSA-N -1 1 334.243 3.326 20 10 EGCDMM O=C1OCc2c1cccc2NCc1cccc(Br)c1[O-] ZINC000809791606 1317901567 /nfs/dbraw/zinc/90/15/67/1317901567.db2.gz QBGIZAGDLSUJBW-UHFFFAOYSA-N -1 1 334.169 3.437 20 10 EGCDMM COc1cnc(C=Cc2ccc(N(C)C)cc2C(F)(F)F)[n-]c1=O ZINC000905076418 1317919783 /nfs/dbraw/zinc/91/97/83/1317919783.db2.gz GOCYVGMWILYCKT-FNORWQNLSA-N -1 1 339.317 3.446 20 10 EGCDMM CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)c1ccc([O-])cc1 ZINC000863941930 1329590263 /nfs/dbraw/zinc/59/02/63/1329590263.db2.gz NGCGUYDKYQWNMS-UHFFFAOYSA-N -1 1 340.423 3.078 20 10 EGCDMM CC(C)(C)[C@H]1CC[C@H](C(=O)NCC(=O)c2ccc([O-])c(O)c2)CC1 ZINC001184220722 1387416373 /nfs/dbraw/zinc/41/63/73/1387416373.db2.gz HAJBXNULFLWLFQ-MQMHXKEQSA-N -1 1 333.428 3.249 20 10 EGCDMM CC[C@@H](NCc1nnc(C)n1C)c1ccc(Cl)c(Cl)c1[O-] ZINC001324136936 1387546547 /nfs/dbraw/zinc/54/65/47/1387546547.db2.gz UHNXOUIYVVKHKB-LLVKDONJSA-N -1 1 329.231 3.377 20 10 EGCDMM Cc1c(O)ccc([N-]S(=O)(=O)c2ccc(-c3cnco3)cc2)c1C ZINC001185227897 1387657210 /nfs/dbraw/zinc/65/72/10/1387657210.db2.gz UTQMPGKIQYWKJB-UHFFFAOYSA-N -1 1 344.392 3.465 20 10 EGCDMM COc1ccccc1[C@H]1CCN(C(=O)c2ccc(O)c([O-])c2Cl)C1 ZINC001193210187 1367967146 /nfs/dbraw/zinc/96/71/46/1367967146.db2.gz VOEAYWAZSKDVHM-NSHDSACASA-N -1 1 347.798 3.390 20 10 EGCDMM Cc1noc2ccc(CNC(=O)c3ccc(O)c([O-])c3Cl)cc12 ZINC001193247043 1367979500 /nfs/dbraw/zinc/97/95/00/1367979500.db2.gz IWRJIHPBWGKDKN-UHFFFAOYSA-N -1 1 332.743 3.131 20 10 EGCDMM O=C(N[C@@H](c1ccnc(F)c1)C1CC1)c1ccc(O)c([O-])c1Cl ZINC001193247344 1367979510 /nfs/dbraw/zinc/97/95/10/1367979510.db2.gz VJOOUVFFYAIUDX-CQSZACIVSA-N -1 1 336.750 3.166 20 10 EGCDMM C[C@@H]1C[C@@H](Oc2c([O-])ccc3c2C(=O)c2ccccc2C3=O)CCO1 ZINC001227576781 1375446333 /nfs/dbraw/zinc/44/63/33/1375446333.db2.gz FAFAVWYPZXTFLG-NEPJUHHUSA-N -1 1 338.359 3.114 20 10 EGCDMM CN(Cc1cc(C(=O)[O-])ccc1O)Cc1ncccc1C(F)(F)F ZINC001231561685 1376265149 /nfs/dbraw/zinc/26/51/49/1376265149.db2.gz YLZPLCJZGDJCEC-UHFFFAOYSA-N -1 1 340.301 3.136 20 10 EGCDMM CC(C)(C)OC(=O)NCC1(C)CN(Cc2cccc(Cl)c2[O-])C1 ZINC001231914222 1376351862 /nfs/dbraw/zinc/35/18/62/1376351862.db2.gz IQTUCXXHRWBTRO-UHFFFAOYSA-N -1 1 340.851 3.392 20 10 EGCDMM CCOc1ccc(N2CCN(Cc3cc(Cl)ncc3[O-])CC2)cc1 ZINC001233037333 1376559030 /nfs/dbraw/zinc/55/90/30/1376559030.db2.gz CJJVVHBXQKHTFS-UHFFFAOYSA-N -1 1 347.846 3.162 20 10 EGCDMM O=S(=O)(CCc1ccc(Cl)cc1)Nc1ccc([O-])c(F)c1F ZINC001189100731 1388457522 /nfs/dbraw/zinc/45/75/22/1388457522.db2.gz MLNPSYUJLRBWCT-UHFFFAOYSA-N -1 1 347.770 3.308 20 10 EGCDMM CCOC(=O)CN(Cc1ccc(OC)cc1)Cc1c([O-])cccc1F ZINC001137837722 1377627048 /nfs/dbraw/zinc/62/70/48/1377627048.db2.gz RXHBVZBDCCEIJI-UHFFFAOYSA-N -1 1 347.386 3.105 20 10 EGCDMM CN(C(=O)OC(C)(C)C)[C@@H]1CCN(Cc2c(F)ccc(F)c2[O-])C1 ZINC001139684319 1377933739 /nfs/dbraw/zinc/93/37/39/1377933739.db2.gz SNZPGKMOAHWWQL-LLVKDONJSA-N -1 1 342.386 3.112 20 10 EGCDMM CC[C@H](C)N1CC[C@@]2(CCCN2Cc2c([O-])cc(F)cc2F)C1=O ZINC001272617291 1378076723 /nfs/dbraw/zinc/07/67/23/1378076723.db2.gz WKWNVHJQZHYMBO-SGTLLEGYSA-N -1 1 338.398 3.036 20 10 EGCDMM COc1ccc(N2CCN(Cc3cc(F)c([O-])c(F)c3)CC2)c(C)c1 ZINC001140991899 1378202805 /nfs/dbraw/zinc/20/28/05/1378202805.db2.gz DSDBCTGQYZHKRW-UHFFFAOYSA-N -1 1 348.393 3.310 20 10 EGCDMM CN(C(=O)OC(C)(C)C)[C@@H]1CCN1Cc1cc(F)c(F)cc1[O-] ZINC001142530452 1378454024 /nfs/dbraw/zinc/45/40/24/1378454024.db2.gz HMEMLHKFSHOZBX-AWEZNQCLSA-N -1 1 328.359 3.069 20 10 EGCDMM CC(C)c1ccc(CCC(=O)NCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC001143261326 1378570827 /nfs/dbraw/zinc/57/08/27/1378570827.db2.gz DBMVQAVVQGVSTE-UHFFFAOYSA-N -1 1 341.407 3.153 20 10 EGCDMM [O-]c1cc(F)c(Br)cc1CN1CCC[C@@]2(CCO2)C1 ZINC001144306501 1378714345 /nfs/dbraw/zinc/71/43/45/1378714345.db2.gz DQXQNGVHYZMLFH-CQSZACIVSA-N -1 1 330.197 3.049 20 10 EGCDMM Cc1c[nH]c2nc(Cl)cc(NCC(=O)c3ccc([O-])c(O)c3)c12 ZINC001159278841 1381750019 /nfs/dbraw/zinc/75/00/19/1381750019.db2.gz DJYOEUAQMALQHR-UHFFFAOYSA-N -1 1 331.759 3.231 20 10 EGCDMM C[C@H]1CCCCN1c1cccc(NCC(=O)c2ccc([O-])c(O)c2)n1 ZINC001170316443 1384289074 /nfs/dbraw/zinc/28/90/74/1384289074.db2.gz ROJHTSHITIDJLH-ZDUSSCGKSA-N -1 1 341.411 3.166 20 10 EGCDMM COc1ccc(NCC(=O)c2ccc([O-])c(O)c2)c2ccc(C)nc12 ZINC001170321661 1384290678 /nfs/dbraw/zinc/29/06/78/1384290678.db2.gz CDSIHCHULCUTKG-UHFFFAOYSA-N -1 1 338.363 3.258 20 10 EGCDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2nc(C)oc2c1 ZINC001321828610 1386991774 /nfs/dbraw/zinc/99/17/74/1386991774.db2.gz IVEPDEPOPWHLKP-UHFFFAOYSA-N -1 1 332.381 3.205 20 10 EGCDMM COc1ccc(N(C)Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1Cl ZINC000821827440 1446418388 /nfs/dbraw/zinc/41/83/88/1446418388.db2.gz AMHWWPIVIKIULL-UHFFFAOYSA-N -1 1 347.781 3.304 20 10 EGCDMM C[N@H+](Cc1ccc(OCC(=O)[O-])cc1)Cc1c([O-])cccc1Cl ZINC001598523601 992690587 /nfs/dbraw/zinc/69/05/87/992690587.db2.gz JNABDNHXOAGKIP-UHFFFAOYSA-N -1 1 335.787 3.141 20 10 EGCDMM C[N@@H+](Cc1ccc(OCC(=O)[O-])cc1)Cc1c([O-])cccc1Cl ZINC001598523601 992690593 /nfs/dbraw/zinc/69/05/93/992690593.db2.gz JNABDNHXOAGKIP-UHFFFAOYSA-N -1 1 335.787 3.141 20 10 EGCDMM CN(Cc1ccc(OCC(=O)[O-])cc1)Cc1c(O)cccc1Cl ZINC001598523601 992690595 /nfs/dbraw/zinc/69/05/95/992690595.db2.gz JNABDNHXOAGKIP-UHFFFAOYSA-N -1 1 335.787 3.141 20 10 EGCDMM C[C@H](NCc1nc2c(s1)CCCC2)c1cc(C(=O)[O-])ccc1O ZINC001593312261 994797228 /nfs/dbraw/zinc/79/72/28/994797228.db2.gz RTPIFDAKEVRTTD-JTQLQIEISA-N -1 1 332.425 3.277 20 10 EGCDMM CC(=O)c1cc(Cl)cc(CN2CCO[C@@H](c3ccco3)C2)c1[O-] ZINC000121472681 454438790 /nfs/dbraw/zinc/43/87/90/454438790.db2.gz OCOZLIUCDFTDCI-MRXNPFEDSA-N -1 1 335.787 3.415 20 10 EGCDMM O=C(NC1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1)C1CC1 ZINC000179913467 455098341 /nfs/dbraw/zinc/09/83/41/455098341.db2.gz MJBILQDANJUZRI-UHFFFAOYSA-N -1 1 343.254 3.190 20 10 EGCDMM COc1c([O-])c(CN2CC(C)(C)[C@H]2c2cccnc2)ccc1[N+](=O)[O-] ZINC000292824693 455762851 /nfs/dbraw/zinc/76/28/51/455762851.db2.gz QKASKKZLBZHUOD-QGZVFWFLSA-N -1 1 343.383 3.287 20 10 EGCDMM O=C([O-])CC[N@H+](Cc1ccccc1)Cc1c([O-])ccc2ccncc21 ZINC000739724354 576501905 /nfs/dbraw/zinc/50/19/05/576501905.db2.gz YTWICBODUJLZFJ-UHFFFAOYSA-N -1 1 336.391 3.417 20 10 EGCDMM O=C([O-])CC[N@@H+](Cc1ccccc1)Cc1c([O-])ccc2ccncc21 ZINC000739724354 576501907 /nfs/dbraw/zinc/50/19/07/576501907.db2.gz YTWICBODUJLZFJ-UHFFFAOYSA-N -1 1 336.391 3.417 20 10 EGCDMM O=C([O-])CC[N@H+](Cc1c([O-])ccc2ccccc21)C1CCOCC1 ZINC000833233374 600719911 /nfs/dbraw/zinc/71/99/11/600719911.db2.gz UZPUWNWHUXJGMY-UHFFFAOYSA-N -1 1 329.396 3.001 20 10 EGCDMM O=C([O-])CC[N@@H+](Cc1c([O-])ccc2ccccc21)C1CCOCC1 ZINC000833233374 600719913 /nfs/dbraw/zinc/71/99/13/600719913.db2.gz UZPUWNWHUXJGMY-UHFFFAOYSA-N -1 1 329.396 3.001 20 10 EGCDMM CC(=O)c1cc(Cl)cc(C[N@@H+]2CCCCC[C@@H]2C(=O)[O-])c1[O-] ZINC000833400658 605846833 /nfs/dbraw/zinc/84/68/33/605846833.db2.gz KFYHWUNCGJXIHV-CQSZACIVSA-N -1 1 325.792 3.077 20 10 EGCDMM CC(=O)c1cc(Cl)cc(C[N@H+]2CCCCC[C@@H]2C(=O)[O-])c1[O-] ZINC000833400658 605846835 /nfs/dbraw/zinc/84/68/35/605846835.db2.gz KFYHWUNCGJXIHV-CQSZACIVSA-N -1 1 325.792 3.077 20 10 EGCDMM CC(C)(C)C[N@@H+](CC(=O)[O-])Cc1cc(Br)ccc1O ZINC000700950676 1298183157 /nfs/dbraw/zinc/18/31/57/1298183157.db2.gz PHPUSFHVHJSJAD-UHFFFAOYSA-N -1 1 330.222 3.087 20 10 EGCDMM CC(C)(C)C[N@H+](CC(=O)[O-])Cc1cc(Br)ccc1[O-] ZINC000700950676 1298183160 /nfs/dbraw/zinc/18/31/60/1298183160.db2.gz PHPUSFHVHJSJAD-UHFFFAOYSA-N -1 1 330.222 3.087 20 10 EGCDMM CC(C)(C)C[N@@H+](CC(=O)[O-])Cc1cc(Br)ccc1[O-] ZINC000700950676 1298183168 /nfs/dbraw/zinc/18/31/68/1298183168.db2.gz PHPUSFHVHJSJAD-UHFFFAOYSA-N -1 1 330.222 3.087 20 10 EGCDMM [O-]c1c(Br)cccc1CNc1ccc(-n2nccn2)cc1 ZINC000048796885 1291618508 /nfs/dbraw/zinc/61/85/08/1291618508.db2.gz ALMXIUZOSZUXOZ-UHFFFAOYSA-N -1 1 345.200 3.348 20 10 EGCDMM C[C@@H]1CC[C@@H](C(=O)[O-])C[C@@H]1[NH2+]Cc1c([O-])cccc1Br ZINC000871876922 1296585308 /nfs/dbraw/zinc/58/53/08/1296585308.db2.gz PZNTUIAJWFYAFE-BREBYQMCSA-N -1 1 342.233 3.134 20 10 EGCDMM Cc1ccn2cc(CN[C@H](C)c3cc([N+](=O)[O-])ccc3[O-])nc2c1 ZINC000756531852 1300515734 /nfs/dbraw/zinc/51/57/34/1300515734.db2.gz AFRVNPQOHPZPEE-GFCCVEGCSA-N -1 1 326.356 3.107 20 10 EGCDMM CCc1cc(NCc2cc(Br)cc(F)c2[O-])nn1C ZINC000883147355 1302271346 /nfs/dbraw/zinc/27/13/46/1302271346.db2.gz SFWHKFAUSONAGJ-UHFFFAOYSA-N -1 1 328.185 3.202 20 10 EGCDMM Cc1ccc(C(=O)NCc2cccc(Br)c2[O-])s1 ZINC000765750211 1302318992 /nfs/dbraw/zinc/31/89/92/1302318992.db2.gz BVMNJNHYIBDVBT-UHFFFAOYSA-N -1 1 326.215 3.455 20 10 EGCDMM [O-]c1c(Br)cccc1CNc1ncnc2ccncc21 ZINC000765984128 1302363203 /nfs/dbraw/zinc/36/32/03/1302363203.db2.gz ZDNOGKXZHKGCPP-UHFFFAOYSA-N -1 1 331.173 3.105 20 10 EGCDMM O=C([N-]OCc1ccc(F)cc1Br)C1=CC(=O)CS1 ZINC000782078198 1304912355 /nfs/dbraw/zinc/91/23/55/1304912355.db2.gz SUAHYAGZHSLRLH-UHFFFAOYSA-N -1 1 346.177 3.217 20 10 EGCDMM CC(C)OCc1ccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC000782482178 1304980978 /nfs/dbraw/zinc/98/09/78/1304980978.db2.gz KWLMLHCOELDFDO-UHFFFAOYSA-N -1 1 344.363 3.063 20 10 EGCDMM O=C(CCc1ccc(Cl)s1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783041396 1305040620 /nfs/dbraw/zinc/04/06/20/1305040620.db2.gz HHOAGZZFLHHZJQ-UHFFFAOYSA-N -1 1 340.784 3.171 20 10 EGCDMM O=C(CCc1cc(Cl)cs1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783743947 1305138386 /nfs/dbraw/zinc/13/83/86/1305138386.db2.gz JQKAFBRQIBHEFX-UHFFFAOYSA-N -1 1 340.784 3.171 20 10 EGCDMM C[C@@]1(C(=O)OCC(=O)c2ccc([O-])c(O)c2)CCc2ccccc2C1 ZINC000783937206 1305165228 /nfs/dbraw/zinc/16/52/28/1305165228.db2.gz CTBLLIHLIYDJHK-HXUWFJFHSA-N -1 1 340.375 3.019 20 10 EGCDMM CC[C@H](C(=O)OCC(=O)c1ccc([O-])c(O)c1)c1ccc(F)cc1 ZINC000784735266 1305278444 /nfs/dbraw/zinc/27/84/44/1305278444.db2.gz PTCYNZXVUMKELV-AWEZNQCLSA-N -1 1 332.327 3.157 20 10 EGCDMM CCO[C@@H]1C[C@@H](NC(=O)c2c(F)ccc(O)c2[O-])C12CCCCC2 ZINC000789987233 1306242679 /nfs/dbraw/zinc/24/26/79/1306242679.db2.gz QDWAKQMYIWGWCM-ZIAGYGMSSA-N -1 1 337.391 3.095 20 10 EGCDMM O=C(NCc1cccc(C(F)(F)F)c1)c1c([O-])c(O)ccc1F ZINC000790069963 1306256058 /nfs/dbraw/zinc/25/60/58/1306256058.db2.gz HZPKRNDBMJTHNJ-UHFFFAOYSA-N -1 1 329.249 3.186 20 10 EGCDMM O=C(COC(=O)c1ccc(F)c2ccccc12)c1ccc([O-])c(O)c1 ZINC000796366610 1309980306 /nfs/dbraw/zinc/98/03/06/1309980306.db2.gz NFMNAEPXTBBSTA-UHFFFAOYSA-N -1 1 340.306 3.430 20 10 EGCDMM Cc1cc(N(C)C)ccc1CN[C@H](C(=O)[O-])c1cc(F)ccc1F ZINC000901638067 1317456026 /nfs/dbraw/zinc/45/60/26/1317456026.db2.gz ULWKDOCGTNXJES-KRWDZBQOSA-N -1 1 334.366 3.255 20 10 EGCDMM CC[C@@H](Nc1ccc(OCC(N)=O)cc1)c1cccc(Cl)c1[O-] ZINC000806151186 1317466337 /nfs/dbraw/zinc/46/63/37/1317466337.db2.gz CZQXZNPVIYTUQP-OAHLLOKOSA-N -1 1 334.803 3.473 20 10 EGCDMM O=C([O-])[C@H]1CCC[C@@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000911746503 1318764495 /nfs/dbraw/zinc/76/44/95/1318764495.db2.gz YHMMONXCNSUOBY-BDAKNGLRSA-N -1 1 346.210 3.206 20 10 EGCDMM O=C([O-])[C@@H]1CCC[C@@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000911746506 1318764896 /nfs/dbraw/zinc/76/48/96/1318764896.db2.gz YHMMONXCNSUOBY-RKDXNWHRSA-N -1 1 346.210 3.206 20 10 EGCDMM O=C(c1c([O-])c(O)ccc1F)N1CCC[C@@H](Cc2ccccc2)C1 ZINC000825756188 1320360110 /nfs/dbraw/zinc/36/01/10/1320360110.db2.gz LEXPCFMOLJXLHD-AWEZNQCLSA-N -1 1 329.371 3.332 20 10 EGCDMM CC(C)O[C@H]1CCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000846015475 1321762742 /nfs/dbraw/zinc/76/27/42/1321762742.db2.gz MWDZQNZZVWJYNM-ZDUSSCGKSA-N -1 1 328.796 3.343 20 10 EGCDMM CCn1cnc2c1CCN(Cc1cc(Cl)cc(C(C)=O)c1[O-])C2 ZINC000933261399 1329876133 /nfs/dbraw/zinc/87/61/33/1329876133.db2.gz RNYRWXDYBMZIAF-UHFFFAOYSA-N -1 1 333.819 3.023 20 10 EGCDMM [O-]c1cc(Br)cc(F)c1CN1CC[C@]2(C1)CCCCO2 ZINC001233028150 1376558063 /nfs/dbraw/zinc/55/80/63/1376558063.db2.gz JESDBWKRVINIFW-HNNXBMFYSA-N -1 1 344.224 3.439 20 10 EGCDMM CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc([O-])cc(F)c1F ZINC001192665585 1367845355 /nfs/dbraw/zinc/84/53/55/1367845355.db2.gz ONDAQYFNPVZHFP-UHFFFAOYSA-N -1 1 334.366 3.399 20 10 EGCDMM O=C(Nc1c(Cl)cnnc1Cl)c1ccc(O)c([O-])c1Cl ZINC001193220689 1367970283 /nfs/dbraw/zinc/97/02/83/1367970283.db2.gz VVPCIWRXIGRQNN-UHFFFAOYSA-N -1 1 334.546 3.100 20 10 EGCDMM Cc1cccnc1[C@@H](NC(=O)c1ccc(O)c([O-])c1Cl)C1CC1 ZINC001193236383 1367975447 /nfs/dbraw/zinc/97/54/47/1367975447.db2.gz AFZWRKICZBYKKM-HNNXBMFYSA-N -1 1 332.787 3.336 20 10 EGCDMM O=C1CCCC[C@H]1Oc1c([O-])ccc2c1C(=O)c1ccccc1C2=O ZINC001227578577 1375446343 /nfs/dbraw/zinc/44/63/43/1375446343.db2.gz UTWJFKGDYQSFQP-MRXNPFEDSA-N -1 1 336.343 3.058 20 10 EGCDMM COc1ccc(N2CCN(Cc3ccc(C(=O)[O-])s3)CC2)c(C)c1 ZINC001231465173 1376246924 /nfs/dbraw/zinc/24/69/24/1376246924.db2.gz FIMSOWKCFXUJSF-UHFFFAOYSA-N -1 1 346.452 3.086 20 10 EGCDMM O=C(Nc1ccccc1)[C@@H]1CCCN1Cc1cc(F)c(F)cc1[O-] ZINC001142530342 1378454108 /nfs/dbraw/zinc/45/41/08/1378454108.db2.gz FCFPTUCQXUSHMU-INIZCTEOSA-N -1 1 332.350 3.274 20 10 EGCDMM [O-]c1cc(F)c(F)cc1CN1CC[C@H](N2CCCCC2)C(F)(F)C1 ZINC001142534748 1378455385 /nfs/dbraw/zinc/45/53/85/1378455385.db2.gz VFTGAMBFDDSLLU-INIZCTEOSA-N -1 1 346.368 3.366 20 10 EGCDMM O=C(CNc1ccc2ccc3cccnc3c2n1)c1ccc([O-])c(O)c1 ZINC001159277746 1381749557 /nfs/dbraw/zinc/74/95/57/1381749557.db2.gz YABTXRDDORDDOT-UHFFFAOYSA-N -1 1 345.358 3.489 20 10 EGCDMM O=C(CNc1nc(Cl)nc2cccc(F)c21)c1ccc([O-])c(O)c1 ZINC001159277235 1381749751 /nfs/dbraw/zinc/74/97/51/1381749751.db2.gz QYKPBYZBSRCHEX-UHFFFAOYSA-N -1 1 347.733 3.128 20 10 EGCDMM O=c1cc2[nH]cc(NCc3cc(Cl)c4cccnc4c3[O-])cc-2[nH]1 ZINC001168522726 1383929611 /nfs/dbraw/zinc/92/96/11/1383929611.db2.gz IPMVSYPUVXHNSC-UHFFFAOYSA-N -1 1 340.770 3.096 20 10 EGCDMM CC(C)(C)c1cc(Cl)nnc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001170313850 1384288583 /nfs/dbraw/zinc/28/85/83/1384288583.db2.gz FDQBINYMGHITCW-UHFFFAOYSA-N -1 1 335.791 3.134 20 10 EGCDMM C[C@@H]1CCCCN1c1cccc(NCC(=O)c2ccc([O-])c(O)c2)n1 ZINC001170316442 1384289055 /nfs/dbraw/zinc/28/90/55/1384289055.db2.gz ROJHTSHITIDJLH-CYBMUJFWSA-N -1 1 341.411 3.166 20 10 EGCDMM Cc1ccnc(-c2cc(C)cc(NCC(=O)c3ccc([O-])c(O)c3)n2)c1 ZINC001170323038 1384290644 /nfs/dbraw/zinc/29/06/44/1384290644.db2.gz UVCQYASVYUBGML-UHFFFAOYSA-N -1 1 349.390 3.466 20 10 EGCDMM Nc1cc(F)ccc1S(=O)(=O)[N-]c1cccc(N2CCCCC2)c1 ZINC001174304987 1385095577 /nfs/dbraw/zinc/09/55/77/1385095577.db2.gz HRRBWAGFGLXESP-UHFFFAOYSA-N -1 1 349.431 3.199 20 10 EGCDMM CC(C)[N@@H+](CC(=O)[O-])Cc1cc(Cl)cc(Br)c1[O-] ZINC000708070473 954990716 /nfs/dbraw/zinc/99/07/16/954990716.db2.gz IXCSRTIFCHSHFR-UHFFFAOYSA-N -1 1 336.613 3.103 20 10 EGCDMM C[C@]1(C(=O)[O-])CCC[N@@H+]1Cc1cc(Cl)cc(Br)c1[O-] ZINC000708070448 969032235 /nfs/dbraw/zinc/03/22/35/969032235.db2.gz ILKCSFTZFLCQCX-CYBMUJFWSA-N -1 1 348.624 3.247 20 10 EGCDMM C[C@]1(C(=O)[O-])CCC[N@H+]1Cc1cc(Cl)cc(Br)c1[O-] ZINC000708070448 969032246 /nfs/dbraw/zinc/03/22/46/969032246.db2.gz ILKCSFTZFLCQCX-CYBMUJFWSA-N -1 1 348.624 3.247 20 10 EGCDMM CCOCc1cc(CNCc2cc(C)c(C(=O)[O-])o2)ccc1OC ZINC000901940742 980642100 /nfs/dbraw/zinc/64/21/00/980642100.db2.gz YTRSLIPDSIWCMR-UHFFFAOYSA-N -1 1 333.384 3.121 20 10 EGCDMM CN(C)c1cc(F)c(CN(C)[C@H](C(=O)[O-])c2ccccc2)cc1F ZINC001598305778 991261405 /nfs/dbraw/zinc/26/14/05/991261405.db2.gz NLIMMYYGZZDLQD-KRWDZBQOSA-N -1 1 334.366 3.289 20 10 EGCDMM CN(CC[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-])c1ccccc1 ZINC001598487151 992220754 /nfs/dbraw/zinc/22/07/54/992220754.db2.gz AYTLLOSXZCRCJT-UHFFFAOYSA-N -1 1 348.830 3.069 20 10 EGCDMM CN(CC[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-])c1ccccc1 ZINC001598487151 992220761 /nfs/dbraw/zinc/22/07/61/992220761.db2.gz AYTLLOSXZCRCJT-UHFFFAOYSA-N -1 1 348.830 3.069 20 10 EGCDMM C[N@@H+](Cc1ccc(OCC(=O)[O-])cc1)Cc1cccc(Cl)c1[O-] ZINC001598523653 992691494 /nfs/dbraw/zinc/69/14/94/992691494.db2.gz BDTOEONVYZRSGE-UHFFFAOYSA-N -1 1 335.787 3.141 20 10 EGCDMM CCOC(=O)C1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000158091744 455268119 /nfs/dbraw/zinc/26/81/19/455268119.db2.gz DDJSKMXJPFJBNE-UHFFFAOYSA-N -1 1 332.227 3.474 20 10 EGCDMM CN(Cc1ccccc1O)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000111234986 454858816 /nfs/dbraw/zinc/85/88/16/454858816.db2.gz DLPRJIKUSVITEF-INIZCTEOSA-N -1 1 330.815 3.283 20 10 EGCDMM CC1(c2ccccc2)CCN(C(=O)c2c([O-])c(O)ccc2F)CC1 ZINC000295589772 455854190 /nfs/dbraw/zinc/85/41/90/455854190.db2.gz XJFZZDCWHMVYLA-UHFFFAOYSA-N -1 1 329.371 3.431 20 10 EGCDMM CSCC(C)(C)C(=O)NCc1cccc(Br)c1[O-] ZINC000282355021 456487346 /nfs/dbraw/zinc/48/73/46/456487346.db2.gz XBPFNLZOTCLQHM-UHFFFAOYSA-N -1 1 332.263 3.160 20 10 EGCDMM CCc1cccc2c(/C=C3/C(=O)[N-]N(c4ccccc4)C3=O)c[nH]c21 ZINC000728697090 574767243 /nfs/dbraw/zinc/76/72/43/574767243.db2.gz CISXLICHEXJJCJ-BOPFTXTBSA-N -1 1 331.375 3.192 20 10 EGCDMM CCC(CC)(CC(=O)[O-])[NH2+]Cc1cc(Br)ccc1[O-] ZINC000828800350 601261425 /nfs/dbraw/zinc/26/14/25/601261425.db2.gz UCJHPBJCVAWAQC-UHFFFAOYSA-N -1 1 330.222 3.278 20 10 EGCDMM O=C(N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1)c1c([O-])c(O)ccc1F ZINC000830924173 1292786314 /nfs/dbraw/zinc/78/63/14/1292786314.db2.gz TXTGVBNAGRBVHG-DGCLKSJQSA-N -1 1 333.334 3.442 20 10 EGCDMM CC(C)CO[C@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000091964262 1292851250 /nfs/dbraw/zinc/85/12/50/1292851250.db2.gz XUZPDFQEHSDNNZ-ZDUSSCGKSA-N -1 1 328.796 3.201 20 10 EGCDMM CC(C)CO[C@@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000091964261 1292851504 /nfs/dbraw/zinc/85/15/04/1292851504.db2.gz XUZPDFQEHSDNNZ-CYBMUJFWSA-N -1 1 328.796 3.201 20 10 EGCDMM C[N@H+](Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-])[C@@H]1CCSC1 ZINC000755789047 1300396591 /nfs/dbraw/zinc/39/65/91/1300396591.db2.gz ICYLYNFNWMJJPM-CQSZACIVSA-N -1 1 343.448 3.266 20 10 EGCDMM C[N@@H+](Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-])[C@@H]1CCSC1 ZINC000755789047 1300396601 /nfs/dbraw/zinc/39/66/01/1300396601.db2.gz ICYLYNFNWMJJPM-CQSZACIVSA-N -1 1 343.448 3.266 20 10 EGCDMM CC[C@H](C)[C@H](C)NC(=O)NCc1cccc(Br)c1[O-] ZINC000764769943 1302131003 /nfs/dbraw/zinc/13/10/03/1302131003.db2.gz XDHPVBAUSYCMNS-UWVGGRQHSA-N -1 1 329.238 3.389 20 10 EGCDMM Cc1ccc(C[NH2+]Cc2cc(F)cc(F)c2O)c(O[C@@H]2CCOC2)c1 ZINC000883040301 1302216825 /nfs/dbraw/zinc/21/68/25/1302216825.db2.gz WZCAAOIFSGWZAI-MRXNPFEDSA-N -1 1 349.377 3.436 20 10 EGCDMM O=C(C=C1CCSCC1)NCc1cccc(Br)c1[O-] ZINC000765746004 1302316882 /nfs/dbraw/zinc/31/68/82/1302316882.db2.gz BQIJOKKWLGBVTP-UHFFFAOYSA-N -1 1 342.258 3.224 20 10 EGCDMM CC(C)[C@]1(C)C[C@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000765751989 1302318927 /nfs/dbraw/zinc/31/89/27/1302318927.db2.gz VMPWZJBARQNWKM-NHYWBVRUSA-N -1 1 326.234 3.453 20 10 EGCDMM O=C(NCc1ccc(N2CCSCC2)cc1)c1ccc([O-])c(F)c1 ZINC000767300517 1302632304 /nfs/dbraw/zinc/63/23/04/1302632304.db2.gz SMOUTAZUTCJORF-UHFFFAOYSA-N -1 1 346.427 3.015 20 10 EGCDMM CC(=O)c1cc(F)cc(C[N@H+](C)[C@H](CO)c2ccccc2C)c1O ZINC000886433290 1303466237 /nfs/dbraw/zinc/46/62/37/1303466237.db2.gz FWFUWUSDBUTOTM-GOSISDBHSA-N -1 1 331.387 3.208 20 10 EGCDMM COc1c([O-])c(CN(CC2CCC2)CC(F)(F)F)ccc1[N+](=O)[O-] ZINC000774911596 1303876521 /nfs/dbraw/zinc/87/65/21/1303876521.db2.gz FRVKRCQFAMILDM-UHFFFAOYSA-N -1 1 348.321 3.473 20 10 EGCDMM CC[C@@H]1CN(C(C)=O)[C@H](CC)CN1Cc1cc(Cl)cc(F)c1[O-] ZINC000775720565 1304020813 /nfs/dbraw/zinc/02/08/13/1304020813.db2.gz LVNKFXMYRWLUTH-HUUCEWRRSA-N -1 1 342.842 3.406 20 10 EGCDMM [O-]c1c(F)cc(Cl)cc1CN1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000775726303 1304021530 /nfs/dbraw/zinc/02/15/30/1304021530.db2.gz QMUPCDSYNNVYPL-CYBMUJFWSA-N -1 1 341.732 3.320 20 10 EGCDMM CC(=O)N[C@H]1Cc2ccccc2N(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000780778066 1304738030 /nfs/dbraw/zinc/73/80/30/1304738030.db2.gz ASZNLPZVSLWPDF-HNNXBMFYSA-N -1 1 348.805 3.252 20 10 EGCDMM CC(=CC(=O)OCC(=O)c1ccc([O-])c(O)c1)c1ccc(F)cc1 ZINC000783238538 1305069572 /nfs/dbraw/zinc/06/95/72/1305069572.db2.gz FMLAGEOIHURSCL-FLIBITNWSA-N -1 1 330.311 3.066 20 10 EGCDMM CC(C)[C@H](C(=O)OCC(=O)c1ccc([O-])c(O)c1)c1ccccc1 ZINC000783909495 1305161609 /nfs/dbraw/zinc/16/16/09/1305161609.db2.gz IXRRCSMYZUKGRR-SFHVURJKSA-N -1 1 328.364 3.264 20 10 EGCDMM Cc1cccc(CC(=O)OCC(=O)c2ccc([O-])c(O)c2)c1Cl ZINC000784953325 1305296301 /nfs/dbraw/zinc/29/63/01/1305296301.db2.gz FMKFGJAOVWKQJN-UHFFFAOYSA-N -1 1 334.755 3.028 20 10 EGCDMM CN(Cc1cnn(C)c1)Cc1cc(Cl)cc(Br)c1[O-] ZINC000893909018 1306124518 /nfs/dbraw/zinc/12/45/18/1306124518.db2.gz IKSPAWYETKBDPX-UHFFFAOYSA-N -1 1 344.640 3.174 20 10 EGCDMM O=C(NCC1(c2ccccc2)CCCC1)c1c(F)ccc(O)c1[O-] ZINC000789950119 1306235280 /nfs/dbraw/zinc/23/52/80/1306235280.db2.gz NYCNXUVTHBNSMT-UHFFFAOYSA-N -1 1 329.371 3.479 20 10 EGCDMM O=C(N[C@H]1CCSc2ccc(F)cc21)c1c(F)ccc(O)c1[O-] ZINC000789948799 1306236170 /nfs/dbraw/zinc/23/61/70/1306236170.db2.gz DTCSQQHJQDLUMH-NSHDSACASA-N -1 1 337.347 3.343 20 10 EGCDMM O=C(NCC1(c2ccc(Cl)cc2)CC1)c1c(F)ccc(O)c1[O-] ZINC000789971937 1306240067 /nfs/dbraw/zinc/24/00/67/1306240067.db2.gz URVQYVJWXMMDPB-UHFFFAOYSA-N -1 1 335.762 3.352 20 10 EGCDMM CCc1cccc2c(CCNC(=O)c3c(F)ccc(O)c3[O-])c[nH]c21 ZINC000789977120 1306241986 /nfs/dbraw/zinc/24/19/86/1306241986.db2.gz ONTNMSDNKMXXNN-UHFFFAOYSA-N -1 1 342.370 3.253 20 10 EGCDMM C[N@@H+](Cc1cc(F)cc(F)c1O)[C@H](CO)c1ccc(Cl)cc1 ZINC000894882493 1309113448 /nfs/dbraw/zinc/11/34/48/1309113448.db2.gz ADYTXEGHZQYEDD-OAHLLOKOSA-N -1 1 327.758 3.489 20 10 EGCDMM O=[N+]([O-])c1cnc(NCc2cccc(Br)c2[O-])s1 ZINC000799960629 1310644856 /nfs/dbraw/zinc/64/48/56/1310644856.db2.gz YKPZUKSKQODFRV-UHFFFAOYSA-N -1 1 330.163 3.132 20 10 EGCDMM CCN(CC)c1ccc(CN(C)C(=O)C(=O)c2ccc([O-])cc2)cc1 ZINC000806326648 1317480980 /nfs/dbraw/zinc/48/09/80/1317480980.db2.gz STJZAQHSUBPDJO-UHFFFAOYSA-N -1 1 340.423 3.080 20 10 EGCDMM CCN(CC)c1ccc(CN2CCSC[C@H]2CC(=O)[O-])cc1F ZINC000901983413 1317506382 /nfs/dbraw/zinc/50/63/82/1317506382.db2.gz RWDJHQTWEVIREC-CQSZACIVSA-N -1 1 340.464 3.064 20 10 EGCDMM CN(C)C(=O)OC[C@@H]1CCCCN1Cc1cc(Cl)cc(F)c1[O-] ZINC000809708921 1317871513 /nfs/dbraw/zinc/87/15/13/1317871513.db2.gz KUFHXHHPMXJTFC-ZDUSSCGKSA-N -1 1 344.814 3.237 20 10 EGCDMM NC(=O)c1ccc(CN(Cc2cccc(Cl)c2[O-])C2CC2)c(F)c1 ZINC000814170676 1318687264 /nfs/dbraw/zinc/68/72/64/1318687264.db2.gz BVXWCOLPPZEPRJ-UHFFFAOYSA-N -1 1 348.805 3.448 20 10 EGCDMM CC(C)(C)c1nnc(CNCc2cc(Cl)cc(Cl)c2[O-])[nH]1 ZINC000839170998 1320884398 /nfs/dbraw/zinc/88/43/98/1320884398.db2.gz SQBKXQRSUKWTBV-UHFFFAOYSA-N -1 1 329.231 3.404 20 10 EGCDMM COCC1CCN(Cc2c([O-])cc(Br)cc2F)CC1 ZINC001233027794 1376556737 /nfs/dbraw/zinc/55/67/37/1376556737.db2.gz ZNGSSQHHRZJMMN-UHFFFAOYSA-N -1 1 332.213 3.152 20 10 EGCDMM O=C(N[C@@H]1COc2ccc(Cl)cc21)c1ccc(O)c([O-])c1Cl ZINC001193247207 1367980063 /nfs/dbraw/zinc/98/00/63/1367980063.db2.gz OYCQQDSWRYUYID-SNVBAGLBSA-N -1 1 340.162 3.268 20 10 EGCDMM Cc1ccc([O-])c(C(=O)n2c(=N)ccc(/N=N/c3ccccc3)c2N)n1 ZINC001195317600 1368419859 /nfs/dbraw/zinc/41/98/59/1368419859.db2.gz BVLDWMXUDYZTIG-ZKOQEHJTSA-N -1 1 348.366 3.063 20 10 EGCDMM [O-]c1c(Cl)cc(Cl)cc1CN1C[C@@H]2COC[C@H](C1)C2(F)F ZINC001203582019 1370178172 /nfs/dbraw/zinc/17/81/72/1370178172.db2.gz MRWJOZRXCHJOPG-AOOOYVTPSA-N -1 1 338.181 3.413 20 10 EGCDMM O=C1c2ccccc2C(=O)c2c1ccc([O-])c2OC[C@H]1CCCCO1 ZINC001227580387 1375447297 /nfs/dbraw/zinc/44/72/97/1375447297.db2.gz OEPYZFGRJCDOCV-GFCCVEGCSA-N -1 1 338.359 3.116 20 10 EGCDMM O=C(NCC(=O)c1ccc([O-])c(O)c1)Nc1cccc2ccccc21 ZINC001188951508 1388418465 /nfs/dbraw/zinc/41/84/65/1388418465.db2.gz FTHBHFAAKOXXOC-UHFFFAOYSA-N -1 1 336.347 3.255 20 10 EGCDMM CC(C)(C)OC(=O)[C@H]1CCCN(Cc2c(F)ccc(F)c2[O-])C1 ZINC001139684229 1377933552 /nfs/dbraw/zinc/93/35/52/1377933552.db2.gz RYAXBNZCDXOYBT-NSHDSACASA-N -1 1 327.371 3.224 20 10 EGCDMM O=C(Nc1ccccc1)N1CCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142524907 1378453326 /nfs/dbraw/zinc/45/33/26/1378453326.db2.gz PGKMJLOYCDWFLM-UHFFFAOYSA-N -1 1 347.365 3.020 20 10 EGCDMM Cc1c2cc(C)ccc2oc1C(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001150785185 1379614284 /nfs/dbraw/zinc/61/42/84/1379614284.db2.gz RKQLNQILTYBLNH-UHFFFAOYSA-N -1 1 339.347 3.074 20 10 EGCDMM Cc1nc(C2CC2)nc(Cl)c1NCC(=O)c1ccc([O-])c(O)c1 ZINC001159280554 1381749587 /nfs/dbraw/zinc/74/95/87/1381749587.db2.gz XOOILHXTYBLZQW-UHFFFAOYSA-N -1 1 333.775 3.022 20 10 EGCDMM O=C(CNc1nc(C(F)F)nc2ccccc21)c1ccc([O-])c(O)c1 ZINC001159280313 1381749764 /nfs/dbraw/zinc/74/97/64/1381749764.db2.gz KKYOSKVOAZYTON-UHFFFAOYSA-N -1 1 345.305 3.273 20 10 EGCDMM CCCc1cc(NCC(=O)c2ccc([O-])c(O)c2)nc(CCC)n1 ZINC001170316626 1384289563 /nfs/dbraw/zinc/28/95/63/1384289563.db2.gz UUDJLXGSDBHWJS-UHFFFAOYSA-N -1 1 329.400 3.088 20 10 EGCDMM O=C(CCNc1ccccc1)NCc1cccc(Br)c1[O-] ZINC001321991384 1387025102 /nfs/dbraw/zinc/02/51/02/1387025102.db2.gz XCGKWPSMKASDHN-UHFFFAOYSA-N -1 1 349.228 3.273 20 10 EGCDMM Oc1c(Cl)cc(Cl)cc1CNc1ccc(-c2nnn[n-]2)cc1 ZINC000826510688 1424905318 /nfs/dbraw/zinc/90/53/18/1424905318.db2.gz FWBQDODYHASDNJ-UHFFFAOYSA-N -1 1 336.182 3.491 20 10 EGCDMM Oc1c(Cl)cc(Cl)cc1CNc1ccc(-c2nn[n-]n2)cc1 ZINC000826510688 1424905321 /nfs/dbraw/zinc/90/53/21/1424905321.db2.gz FWBQDODYHASDNJ-UHFFFAOYSA-N -1 1 336.182 3.491 20 10 EGCDMM CCN(Cc1cc(F)ccc1-c1nnn[n-]1)c1ccc(OC)cc1 ZINC000821222451 1446632985 /nfs/dbraw/zinc/63/29/85/1446632985.db2.gz SKXSPBVJADDHMD-UHFFFAOYSA-N -1 1 327.363 3.041 20 10 EGCDMM Cc1cc(Br)cc(C[N@@H+]2CC[C@H](C)[C@H](C(=O)[O-])C2)c1O ZINC000843039636 955619831 /nfs/dbraw/zinc/61/98/31/955619831.db2.gz DEKSYBLIVFITAW-TVQRCGJNSA-N -1 1 342.233 3.006 20 10 EGCDMM C[C@@]1(C(=O)[O-])CCC[N@@H+]1Cc1cc(Cl)cc(Br)c1[O-] ZINC000708070449 969033526 /nfs/dbraw/zinc/03/35/26/969033526.db2.gz ILKCSFTZFLCQCX-ZDUSSCGKSA-N -1 1 348.624 3.247 20 10 EGCDMM C[C@@]1(C(=O)[O-])CCC[N@H+]1Cc1cc(Cl)cc(Br)c1[O-] ZINC000708070449 969033535 /nfs/dbraw/zinc/03/35/35/969033535.db2.gz ILKCSFTZFLCQCX-ZDUSSCGKSA-N -1 1 348.624 3.247 20 10 EGCDMM CCC(CC)(C[NH2+]Cc1ccc(Br)cc1[O-])C(=O)[O-] ZINC001595079176 979361978 /nfs/dbraw/zinc/36/19/78/979361978.db2.gz DGCGJNSUENMXRN-UHFFFAOYSA-N -1 1 330.222 3.135 20 10 EGCDMM CC(=O)c1cc(F)cc(C[NH2+][C@H](C(=O)[O-])c2ccc(C)c(C)c2)c1[O-] ZINC000905379181 981101320 /nfs/dbraw/zinc/10/13/20/981101320.db2.gz SLKSUGMLCPOCNX-KRWDZBQOSA-N -1 1 345.370 3.266 20 10 EGCDMM COC1(C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])CCCCC1 ZINC001599089275 997159518 /nfs/dbraw/zinc/15/95/18/997159518.db2.gz OATIRYCKXZATJE-UHFFFAOYSA-N -1 1 341.835 3.282 20 10 EGCDMM COC1(C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])CCCCC1 ZINC001599089275 997159525 /nfs/dbraw/zinc/15/95/25/997159525.db2.gz OATIRYCKXZATJE-UHFFFAOYSA-N -1 1 341.835 3.282 20 10 EGCDMM COc1cc(Cl)cc(CN[C@H](C)c2ncc(C(=O)[O-])s2)c1O ZINC001599421048 997594369 /nfs/dbraw/zinc/59/43/69/997594369.db2.gz YQUOYTPMQLTVGO-SSDOTTSWSA-N -1 1 342.804 3.060 20 10 EGCDMM COc1cc(Cl)cc(CN[C@@H](C)c2ncc(C(=O)[O-])s2)c1O ZINC001599421049 997594750 /nfs/dbraw/zinc/59/47/50/997594750.db2.gz YQUOYTPMQLTVGO-ZETCQYMHSA-N -1 1 342.804 3.060 20 10 EGCDMM O=C(c1ccc([O-])cc1F)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000181213113 455303134 /nfs/dbraw/zinc/30/31/34/455303134.db2.gz XLYZNJMELAENLD-HNNXBMFYSA-N -1 1 345.370 3.058 20 10 EGCDMM CCCC[N@H+](Cc1ccccc1O)[C@@H](C)c1nc(N)nc(Cl)n1 ZINC000295374639 455848089 /nfs/dbraw/zinc/84/80/89/455848089.db2.gz POPKZBOJTIYYIH-NSHDSACASA-N -1 1 335.839 3.176 20 10 EGCDMM CC(=O)c1cc(Cl)cc(CN2CCC[C@H]2c2nc(C)no2)c1[O-] ZINC000285526486 455863935 /nfs/dbraw/zinc/86/39/35/455863935.db2.gz FDZNLEKSLYMOGV-AWEZNQCLSA-N -1 1 335.791 3.277 20 10 EGCDMM O=C([O-])N1CCN(Cc2cc3oc4ccccc4c3cc2O)CC1 ZINC000739927295 576520984 /nfs/dbraw/zinc/52/09/84/576520984.db2.gz MXXPMLHPPPIGRU-UHFFFAOYSA-N -1 1 326.352 3.087 20 10 EGCDMM CN(Cc1ccccc1O)C(=O)c1ccc(Br)cc1[O-] ZINC000049448441 1291628423 /nfs/dbraw/zinc/62/84/23/1291628423.db2.gz CPBXKGVLUDKTMU-UHFFFAOYSA-N -1 1 336.185 3.133 20 10 EGCDMM Cc1cc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)ccc1O ZINC000182475052 1295052277 /nfs/dbraw/zinc/05/22/77/1295052277.db2.gz MZGVOPQSOQFJSJ-UHFFFAOYSA-N -1 1 336.369 3.026 20 10 EGCDMM CCO[C@H]1CCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708075798 1298232862 /nfs/dbraw/zinc/23/28/62/1298232862.db2.gz PHLBPKJYQPUKNA-NSHDSACASA-N -1 1 334.641 3.419 20 10 EGCDMM O=C(NCc1ccc(N2CCSCC2)cc1)c1cc(F)ccc1[O-] ZINC000748024578 1298911041 /nfs/dbraw/zinc/91/10/41/1298911041.db2.gz RDSXGXOHUORQHD-UHFFFAOYSA-N -1 1 346.427 3.015 20 10 EGCDMM CCCN(CC(=O)OCC)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000750041979 1299329519 /nfs/dbraw/zinc/32/95/19/1299329519.db2.gz ROXDLKFHOXPJFI-UHFFFAOYSA-N -1 1 327.808 3.023 20 10 EGCDMM CC(C)C[C@@H](C)NC(=O)NCc1cccc(Br)c1[O-] ZINC000764799147 1302138220 /nfs/dbraw/zinc/13/82/20/1302138220.db2.gz HXTUOQPZRDSHRM-SNVBAGLBSA-N -1 1 329.238 3.389 20 10 EGCDMM Cc1cc(NC(=O)NCc2cccc(Br)c2[O-])sn1 ZINC000765296884 1302240819 /nfs/dbraw/zinc/24/08/19/1302240819.db2.gz IAKSQIYQMHDACY-UHFFFAOYSA-N -1 1 342.218 3.241 20 10 EGCDMM CSc1ccc(C(=O)NCc2cccc(Br)c2[O-])o1 ZINC000765751130 1302319484 /nfs/dbraw/zinc/31/94/84/1302319484.db2.gz PEJQGPXFOCVDFQ-UHFFFAOYSA-N -1 1 342.214 3.400 20 10 EGCDMM [O-]c1c(F)cc(Cl)cc1CN1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000775137339 1303915658 /nfs/dbraw/zinc/91/56/58/1303915658.db2.gz KVXLQNRAQSWSPW-OQPBUACISA-N -1 1 341.732 3.320 20 10 EGCDMM COC(=O)[C@H]1C[C@@H](C)CCN1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000775808433 1304043175 /nfs/dbraw/zinc/04/31/75/1304043175.db2.gz ZZZHHTKFTQFNFU-ZUZCIYMTSA-N -1 1 339.819 3.022 20 10 EGCDMM COC(=O)c1ccc2c(c1)CN(Cc1cccc(Cl)c1[O-])CC2 ZINC000779599229 1304585447 /nfs/dbraw/zinc/58/54/47/1304585447.db2.gz MHMFQQKLYHHWPS-UHFFFAOYSA-N -1 1 331.799 3.391 20 10 EGCDMM CCn1cc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c2ccccc21 ZINC000782575347 1304990345 /nfs/dbraw/zinc/99/03/45/1304990345.db2.gz QAHZCUPRDJICFP-UHFFFAOYSA-N -1 1 339.347 3.112 20 10 EGCDMM O=C(COC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccc([O-])c(O)c1 ZINC000783023223 1305037606 /nfs/dbraw/zinc/03/76/06/1305037606.db2.gz GPWXIUCQHNPOGZ-QWRGUYRKSA-N -1 1 346.301 3.192 20 10 EGCDMM C[C@H](CSc1ccccc1)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783623437 1305118134 /nfs/dbraw/zinc/11/81/34/1305118134.db2.gz DGNUOLHMSGSASO-GFCCVEGCSA-N -1 1 346.404 3.252 20 10 EGCDMM Cc1c(F)ccc(Cl)c1[N-]S(=O)(=O)c1cccc2nonc21 ZINC000788559342 1305971033 /nfs/dbraw/zinc/97/10/33/1305971033.db2.gz IWWLPMGYBDVWIQ-UHFFFAOYSA-N -1 1 341.751 3.125 20 10 EGCDMM O=C(NCCOc1cccc2ccccc21)c1c(F)ccc(O)c1[O-] ZINC000789958735 1306237693 /nfs/dbraw/zinc/23/76/93/1306237693.db2.gz JVQINKKKUJRXIS-UHFFFAOYSA-N -1 1 341.338 3.199 20 10 EGCDMM COc1ccc(C2CCN(C(=O)c3c(F)ccc(O)c3[O-])CC2)cc1 ZINC000826542652 1320386879 /nfs/dbraw/zinc/38/68/79/1320386879.db2.gz ALVBZUPHBJNAGN-UHFFFAOYSA-N -1 1 345.370 3.265 20 10 EGCDMM NC(=O)CCOc1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1 ZINC000816523230 1319175057 /nfs/dbraw/zinc/17/50/57/1319175057.db2.gz IOVWGGXYBMFOEG-UHFFFAOYSA-N -1 1 338.766 3.051 20 10 EGCDMM COc1cccc(OC)c1CN[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850505670 1322258435 /nfs/dbraw/zinc/25/84/35/1322258435.db2.gz VICXELZGHIHOOA-NSHDSACASA-N -1 1 332.356 3.168 20 10 EGCDMM Cc1cc(N(C)C)ccc1CNC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000865905074 1329750674 /nfs/dbraw/zinc/75/06/74/1329750674.db2.gz WPOFDKFMEAGAGO-UHFFFAOYSA-N -1 1 332.831 3.279 20 10 EGCDMM Nc1cc(Cl)nc(Cl)c1NC(=O)c1ccc(O)c([O-])c1Cl ZINC001193209928 1367966767 /nfs/dbraw/zinc/96/67/67/1367966767.db2.gz RDOWNPHNGNCUPS-UHFFFAOYSA-N -1 1 348.573 3.288 20 10 EGCDMM O=C(Nc1cccc(Cn2cccn2)c1)c1ccc(O)c([O-])c1Cl ZINC001193231888 1367972535 /nfs/dbraw/zinc/97/25/35/1367972535.db2.gz AKRSZRFDHOUZAU-UHFFFAOYSA-N -1 1 343.770 3.248 20 10 EGCDMM O=C(NCc1ccc(OC(F)F)cc1)c1ccc(O)c([O-])c1Cl ZINC001193236952 1367975205 /nfs/dbraw/zinc/97/52/05/1367975205.db2.gz UPQHKCHXZBPWEP-UHFFFAOYSA-N -1 1 343.713 3.283 20 10 EGCDMM CC(C)(NC(=O)c1ccc(O)c([O-])c1Cl)C(=O)c1ccccc1 ZINC001193236478 1367975793 /nfs/dbraw/zinc/97/57/93/1367975793.db2.gz DWTRGHIXMKIJGD-UHFFFAOYSA-N -1 1 333.771 3.143 20 10 EGCDMM O=C(N[C@H]1COc2ccc(Cl)cc21)c1ccc(O)c([O-])c1Cl ZINC001193247206 1367979203 /nfs/dbraw/zinc/97/92/03/1367979203.db2.gz OYCQQDSWRYUYID-JTQLQIEISA-N -1 1 340.162 3.268 20 10 EGCDMM Cc1ccc(NC(=O)NCC(=O)c2ccc([O-])c(O)c2)cc1Cl ZINC001202810212 1369899578 /nfs/dbraw/zinc/89/95/78/1369899578.db2.gz DFUFIGINVBKFAM-UHFFFAOYSA-N -1 1 334.759 3.064 20 10 EGCDMM O=C(NCC(=O)c1ccc([O-])c(O)c1)Nc1ccc2ccccc2c1 ZINC001188624597 1388347104 /nfs/dbraw/zinc/34/71/04/1388347104.db2.gz OGQWDJVZXHXBTJ-UHFFFAOYSA-N -1 1 336.347 3.255 20 10 EGCDMM O=C1c2ccccc2C(=O)c2c(O[C@@H]3C[C@H]4C[C@H]4C3)cc([O-])c(O)c21 ZINC001229197103 1375785010 /nfs/dbraw/zinc/78/50/10/1375785010.db2.gz NBSFYZAUQBQSOF-JGPRNRPPSA-N -1 1 336.343 3.051 20 10 EGCDMM COc1ccc(C(=O)c2ccccc2[N-]S(=O)(=O)CC2CC2)cc1 ZINC001188976330 1388424754 /nfs/dbraw/zinc/42/47/54/1388424754.db2.gz GNYLEIVWXYAJNP-UHFFFAOYSA-N -1 1 345.420 3.078 20 10 EGCDMM [O-]c1ccc(F)c(F)c1CN1CCN(Cc2cccc(F)c2)CC1 ZINC001233334598 1376617637 /nfs/dbraw/zinc/61/76/37/1376617637.db2.gz NANAIXNOTXSZQA-UHFFFAOYSA-N -1 1 336.357 3.127 20 10 EGCDMM O=C(CNc1cc2nc(Cl)cnc2cc1F)c1ccc([O-])c(O)c1 ZINC001159280371 1381749639 /nfs/dbraw/zinc/74/96/39/1381749639.db2.gz NNUGVVSGCFJBSE-UHFFFAOYSA-N -1 1 347.733 3.128 20 10 EGCDMM Cc1cc(C(F)(F)F)cc(NCC(=O)c2ccc([O-])c(O)c2)n1 ZINC001170313750 1384288472 /nfs/dbraw/zinc/28/84/72/1384288472.db2.gz DGEBUZZKEQWVQH-UHFFFAOYSA-N -1 1 326.274 3.115 20 10 EGCDMM CN(C)c1ccc(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000736780505 1428611613 /nfs/dbraw/zinc/61/16/13/1428611613.db2.gz QWNCSJPZNIVESL-UHFFFAOYSA-N -1 1 328.807 3.198 20 10 EGCDMM O=C([O-])[C@H]([NH2+]Cc1c([O-])cccc1Br)c1ccccc1 ZINC000706649076 977357578 /nfs/dbraw/zinc/35/75/78/977357578.db2.gz BCBKMVQIXWOBRX-CQSZACIVSA-N -1 1 336.185 3.070 20 10 EGCDMM CCCc1nc(C(=O)NCc2cccc(Br)c2[O-])co1 ZINC000277569086 455601724 /nfs/dbraw/zinc/60/17/24/455601724.db2.gz QGYZRYDCNSPRFK-UHFFFAOYSA-N -1 1 339.189 3.025 20 10 EGCDMM COc1ccccc1C(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278929772 455854159 /nfs/dbraw/zinc/85/41/59/455854159.db2.gz VYWJXCHYPJHJDD-UHFFFAOYSA-N -1 1 346.383 3.343 20 10 EGCDMM O=C(N[C@@H]1CC[C@H](c2cccc(F)c2)C1)c1c([O-])c(O)ccc1F ZINC000831010013 1292799156 /nfs/dbraw/zinc/79/91/56/1292799156.db2.gz NRGDGRZMTACFJM-WCQYABFASA-N -1 1 333.334 3.442 20 10 EGCDMM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc(O)c(Cl)c1 ZINC000126120129 1293525926 /nfs/dbraw/zinc/52/59/26/1293525926.db2.gz KYVUSOLIWCZPAP-UHFFFAOYSA-N -1 1 342.760 3.063 20 10 EGCDMM CN(Cc1ccccc1O)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000180410009 1294884646 /nfs/dbraw/zinc/88/46/46/1294884646.db2.gz GUANBVOMMCTIRA-UHFFFAOYSA-N -1 1 325.286 3.389 20 10 EGCDMM CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ncccc1[O-] ZINC000194647542 1295997899 /nfs/dbraw/zinc/99/78/99/1295997899.db2.gz YRSIIXQNFAAOBJ-UHFFFAOYSA-N -1 1 325.412 3.050 20 10 EGCDMM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cccc(-c2ccccn2)c1 ZINC000747691579 1298834940 /nfs/dbraw/zinc/83/49/40/1298834940.db2.gz CLOGLRVHTIBSNR-JXAWBTAJSA-N -1 1 341.370 3.210 20 10 EGCDMM C[C@@H]1C[NH+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C[C@H]1C ZINC000751929585 1299655258 /nfs/dbraw/zinc/65/52/58/1299655258.db2.gz QRDPNQPTTBBIOT-ZIAGYGMSSA-N -1 1 325.408 3.417 20 10 EGCDMM CC(=O)c1cc(Cl)cc(CN2CCC[C@H]2c2ncccn2)c1[O-] ZINC000878976234 1300297350 /nfs/dbraw/zinc/29/73/50/1300297350.db2.gz RBYXHKVKDTWCHG-HNNXBMFYSA-N -1 1 331.803 3.375 20 10 EGCDMM CC(C)Oc1cncc(NCc2cccc(Br)c2[O-])n1 ZINC000764934852 1302169824 /nfs/dbraw/zinc/16/98/24/1302169824.db2.gz OEPOERMKDBNDDV-UHFFFAOYSA-N -1 1 338.205 3.344 20 10 EGCDMM O=C(NCc1cccc(Br)c1[O-])C1Cc2ccccc2C1 ZINC000765755232 1302319245 /nfs/dbraw/zinc/31/92/45/1302319245.db2.gz HZULXRBSJKUUFC-UHFFFAOYSA-N -1 1 346.224 3.186 20 10 EGCDMM O=C1CCCCN1[C@@H]1CCCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775682389 1304014497 /nfs/dbraw/zinc/01/44/97/1304014497.db2.gz WRBDLOLVGIJGIL-CQSZACIVSA-N -1 1 340.826 3.162 20 10 EGCDMM CC(C)Cc1ccc(CC(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC000782548450 1304988116 /nfs/dbraw/zinc/98/81/16/1304988116.db2.gz KCVZPJYBLJJYLQ-UHFFFAOYSA-N -1 1 342.391 3.265 20 10 EGCDMM C[C@@H](CSc1ccccc1)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783623438 1305118328 /nfs/dbraw/zinc/11/83/28/1305118328.db2.gz DGNUOLHMSGSASO-LBPRGKRZSA-N -1 1 346.404 3.252 20 10 EGCDMM C[C@H](C(=O)OCC(=O)c1ccc([O-])c(O)c1)c1cccc(Cl)c1 ZINC000783875995 1305155993 /nfs/dbraw/zinc/15/59/93/1305155993.db2.gz HXTCZSIIJTVFAJ-JTQLQIEISA-N -1 1 334.755 3.281 20 10 EGCDMM O=C(COC(=O)c1ccc(F)c(Cl)c1F)c1ccc([O-])c(O)c1 ZINC000784515662 1305254385 /nfs/dbraw/zinc/25/43/85/1305254385.db2.gz DALYBMSJISSMTP-UHFFFAOYSA-N -1 1 342.681 3.069 20 10 EGCDMM O=C(N[C@H]1CCCOc2cc(F)ccc21)c1c(F)ccc(O)c1[O-] ZINC000790074184 1306258499 /nfs/dbraw/zinc/25/84/99/1306258499.db2.gz BSGYXPZKWVSILD-LBPRGKRZSA-N -1 1 335.306 3.020 20 10 EGCDMM COCc1cccc(S(=O)(=O)[N-]c2ccc(O)cc2SC)c1 ZINC000792703255 1309212064 /nfs/dbraw/zinc/21/20/64/1309212064.db2.gz RNGLYUCCWSVTHS-UHFFFAOYSA-N -1 1 339.438 3.061 20 10 EGCDMM Nc1ccc([N+](=O)[O-])c(NCc2cccc(Br)c2[O-])c1 ZINC000800869625 1310822988 /nfs/dbraw/zinc/82/29/88/1310822988.db2.gz AGIONQYQJDSROP-UHFFFAOYSA-N -1 1 338.161 3.257 20 10 EGCDMM [O-]c1cccc(Cl)c1CN1CCn2ncc(Br)c2C1 ZINC000827451987 1320454079 /nfs/dbraw/zinc/45/40/79/1320454079.db2.gz RICWDMJAVCXRMU-UHFFFAOYSA-N -1 1 342.624 3.020 20 10 EGCDMM [O-]c1c(Cl)cc(Cl)cc1CN1CCCN(CC(F)F)CC1 ZINC000809757642 1317894764 /nfs/dbraw/zinc/89/47/64/1317894764.db2.gz QKMCRTWXRZLDOB-UHFFFAOYSA-N -1 1 339.213 3.472 20 10 EGCDMM COCCCC[N@H+](C)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000841690123 1321296559 /nfs/dbraw/zinc/29/65/59/1321296559.db2.gz CAKUHGBGBYKHJY-UHFFFAOYSA-N -1 1 343.423 3.187 20 10 EGCDMM COCCCC[N@@H+](C)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000841690123 1321296564 /nfs/dbraw/zinc/29/65/64/1321296564.db2.gz CAKUHGBGBYKHJY-UHFFFAOYSA-N -1 1 343.423 3.187 20 10 EGCDMM CC(C)(F)CCNC(=O)NCc1cccc(Br)c1[O-] ZINC000852552527 1323208059 /nfs/dbraw/zinc/20/80/59/1323208059.db2.gz YAJQPAZZSBHYPX-UHFFFAOYSA-N -1 1 333.201 3.092 20 10 EGCDMM CC(=O)c1cc(Cl)cc(CN2CCn3nc(C4CC4)cc3C2)c1[O-] ZINC000932605597 1329826825 /nfs/dbraw/zinc/82/68/25/1329826825.db2.gz HOYPBGOYZZONBA-UHFFFAOYSA-N -1 1 345.830 3.338 20 10 EGCDMM CCc1cccc(CC)c1NC(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001189781478 1367107562 /nfs/dbraw/zinc/10/75/62/1367107562.db2.gz AQSMZRAXACVJEO-UHFFFAOYSA-N -1 1 342.395 3.227 20 10 EGCDMM Cn1c(CNC(=O)c2ccc(O)c([O-])c2Cl)cc2ccccc21 ZINC001193236782 1367974832 /nfs/dbraw/zinc/97/48/32/1367974832.db2.gz QWARGKKTYYZSQG-UHFFFAOYSA-N -1 1 330.771 3.173 20 10 EGCDMM O=C(N[C@H](c1ccnc(F)c1)C1CC1)c1ccc(O)c([O-])c1Cl ZINC001193247343 1367978819 /nfs/dbraw/zinc/97/88/19/1367978819.db2.gz VJOOUVFFYAIUDX-AWEZNQCLSA-N -1 1 336.750 3.166 20 10 EGCDMM COc1cc(C)c(S(=O)(=O)Nc2cc(F)c([O-])c(F)c2)c(C)c1 ZINC001196881519 1368705994 /nfs/dbraw/zinc/70/59/94/1368705994.db2.gz XPMVGMITQRQQRT-UHFFFAOYSA-N -1 1 343.351 3.097 20 10 EGCDMM Cn1ncc2cc(-c3noc(-c4ccc(O)c([O-])c4Cl)n3)ccc21 ZINC001216952113 1373370025 /nfs/dbraw/zinc/37/00/25/1373370025.db2.gz UIJWOVQYJGLDCR-UHFFFAOYSA-N -1 1 342.742 3.355 20 10 EGCDMM CCOC[C@H]1CN(Cc2cccc(Cl)c2[O-])Cc2c1cnn2CC ZINC001231909586 1376345886 /nfs/dbraw/zinc/34/58/86/1376345886.db2.gz DUTWYHNCFUHPJB-CQSZACIVSA-N -1 1 349.862 3.398 20 10 EGCDMM CCOC[C@H]1CN(Cc2cccc(Cl)c2[O-])Cc2cnn(CC)c21 ZINC001231909703 1376347112 /nfs/dbraw/zinc/34/71/12/1376347112.db2.gz FEGNYABSDVVHAG-OAHLLOKOSA-N -1 1 349.862 3.398 20 10 EGCDMM [O-]c1cccc(F)c1CN1CCc2ncc(Br)cc2C1 ZINC001137837806 1377626848 /nfs/dbraw/zinc/62/68/48/1377626848.db2.gz VLMBNXGAOPMWSX-UHFFFAOYSA-N -1 1 337.192 3.247 20 10 EGCDMM C[C@@](O)(C1CCN(Cc2c([O-])cc(F)cc2F)CC1)C(F)(F)F ZINC001140584182 1378090531 /nfs/dbraw/zinc/09/05/31/1378090531.db2.gz HJCOXOLGNCHRKO-CQSZACIVSA-N -1 1 339.304 3.196 20 10 EGCDMM [O-]c1cc(F)c(F)cc1CN1CCN(c2cc(Cl)ccn2)CC1 ZINC001142525113 1378453330 /nfs/dbraw/zinc/45/33/30/1378453330.db2.gz XXNLRVQQOCQLKV-UHFFFAOYSA-N -1 1 339.773 3.041 20 10 EGCDMM COc1cc(F)cc2ccc(NCC(=O)c3ccc([O-])c(O)c3)nc21 ZINC001170316163 1384289363 /nfs/dbraw/zinc/28/93/63/1384289363.db2.gz BAGMRWYJMPFHEX-UHFFFAOYSA-N -1 1 342.326 3.089 20 10 EGCDMM CCc1c(Cl)cc(Nc2ccnc(C(=O)NC)c2)c([O-])c1Cl ZINC001175413833 1385279742 /nfs/dbraw/zinc/27/97/42/1385279742.db2.gz QENQFGSKBMBSCA-UHFFFAOYSA-N -1 1 340.210 3.182 20 10 EGCDMM CCC(CC)(C(=O)NCC(=O)c1ccc([O-])c(O)c1)c1ccccc1 ZINC001181158412 1386949968 /nfs/dbraw/zinc/94/99/68/1386949968.db2.gz FRUSSVHKDVDPHR-UHFFFAOYSA-N -1 1 341.407 3.155 20 10 EGCDMM O=C1CCCN1Cc1ccccc1NCc1cc(F)cc(F)c1[O-] ZINC001333578280 1390343748 /nfs/dbraw/zinc/34/37/48/1390343748.db2.gz BYZLISOJTOHIJD-UHFFFAOYSA-N -1 1 332.350 3.405 20 10 EGCDMM COc1ccc(N(Cc2ccccc2-c2nnn[n-]2)C(C)C)cc1F ZINC000737098568 1427572009 /nfs/dbraw/zinc/57/20/09/1427572009.db2.gz GDGAELTZEQTMOK-UHFFFAOYSA-N -1 1 341.390 3.429 20 10 EGCDMM O=S(=O)([N-]c1ccc2c(c1)OCO2)c1ccc(F)c(Cl)c1 ZINC000005653016 452891403 /nfs/dbraw/zinc/89/14/03/452891403.db2.gz QFIXZGUKBFPDOY-UHFFFAOYSA-N -1 1 329.736 3.009 20 10 EGCDMM CCN(CC)c1ccc(CNCc2ccc(C(=O)[O-])c(C)n2)cc1 ZINC000277232279 456735601 /nfs/dbraw/zinc/73/56/01/456735601.db2.gz IOSAYYKQGRGEGZ-UHFFFAOYSA-N -1 1 327.428 3.224 20 10 EGCDMM O=C([O-])c1ccc(C[NH2+]Cc2cc(Br)ccc2[O-])cc1 ZINC000076275407 597136687 /nfs/dbraw/zinc/13/66/87/597136687.db2.gz CKSGIPXWRLRCKN-UHFFFAOYSA-N -1 1 336.185 3.143 20 10 EGCDMM C[C@]1(C(=O)[O-])CC[N@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C1 ZINC000828029365 601893921 /nfs/dbraw/zinc/89/39/21/601893921.db2.gz ZHUFTGZHJIHWAQ-IBGZPJMESA-N -1 1 329.396 3.314 20 10 EGCDMM C[C@]1(C(=O)[O-])CC[N@@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C1 ZINC000828029365 601893924 /nfs/dbraw/zinc/89/39/24/601893924.db2.gz ZHUFTGZHJIHWAQ-IBGZPJMESA-N -1 1 329.396 3.314 20 10 EGCDMM C[C@@H](CC(=O)OCC(=O)c1ccc([O-])c(O)c1)c1ccccc1F ZINC000783390603 1305085471 /nfs/dbraw/zinc/08/54/71/1305085471.db2.gz VITYAKSTJBATQI-NSHDSACASA-N -1 1 332.327 3.157 20 10 EGCDMM CN(C)c1ccc(C=C2SC(=S)[N-]C2=O)c(C(F)(F)F)c1 ZINC000794864813 1309611762 /nfs/dbraw/zinc/61/17/62/1309611762.db2.gz FLDQVWXZCVMOCK-YHYXMXQVSA-N -1 1 332.372 3.260 20 10 EGCDMM CN(Cc1ccccc1O)C(=O)c1ccc(Br)c([O-])c1 ZINC000133160047 1293737698 /nfs/dbraw/zinc/73/76/98/1293737698.db2.gz SHKPBDCXXFLKEO-UHFFFAOYSA-N -1 1 336.185 3.133 20 10 EGCDMM [O-]c1c(F)cc(Br)cc1CNc1cnn(CCF)c1 ZINC000883189109 1302294892 /nfs/dbraw/zinc/29/48/92/1302294892.db2.gz YJMCXLKWHXIEHC-UHFFFAOYSA-N -1 1 332.148 3.072 20 10 EGCDMM O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc([O-])cc1F ZINC000776128102 1304100566 /nfs/dbraw/zinc/10/05/66/1304100566.db2.gz INSCQYATRKCLJU-UHFFFAOYSA-N -1 1 328.387 3.452 20 10 EGCDMM O=C(COC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccc([O-])c(O)c1 ZINC000782659929 1304999525 /nfs/dbraw/zinc/99/95/25/1304999525.db2.gz KFUKCQASSDMPPG-UHFFFAOYSA-N -1 1 345.738 3.272 20 10 EGCDMM CC(=CC(=O)OCC(=O)c1ccc([O-])c(O)c1)c1ccc(F)cc1 ZINC000783238535 1305068992 /nfs/dbraw/zinc/06/89/92/1305068992.db2.gz FMLAGEOIHURSCL-DHZHZOJOSA-N -1 1 330.311 3.066 20 10 EGCDMM [O-]c1c(Br)cc(Cl)cc1CN1CC2(C1)CCOCC2 ZINC000894977028 1309140910 /nfs/dbraw/zinc/14/09/10/1309140910.db2.gz RFKHDWFVGFYZRM-UHFFFAOYSA-N -1 1 346.652 3.421 20 10 EGCDMM C[C@@H]1CC[C@H](O)CN1Cc1cc(Cl)cc(Br)c1[O-] ZINC000895034852 1309166382 /nfs/dbraw/zinc/16/63/82/1309166382.db2.gz WVEXZXCDUDBBKA-KCJUWKMLSA-N -1 1 334.641 3.153 20 10 EGCDMM O=C([O-])c1ccc(CNCc2ccc3c(c2)CCCO3)nc1C1CC1 ZINC000900042344 1317226361 /nfs/dbraw/zinc/22/63/61/1317226361.db2.gz WGHGNCCTGALMEF-UHFFFAOYSA-N -1 1 338.407 3.272 20 10 EGCDMM O=S(=O)(Nc1cc(Cl)c([O-])cc1F)c1cc(F)ccc1F ZINC000808113907 1317625145 /nfs/dbraw/zinc/62/51/45/1317625145.db2.gz LQDMEXZBKOSUIR-UHFFFAOYSA-N -1 1 337.706 3.264 20 10 EGCDMM COc1cc(CCO)ccc1NCc1cc(Cl)cc(F)c1[O-] ZINC000809654376 1317856754 /nfs/dbraw/zinc/85/67/54/1317856754.db2.gz BBUOQADKBJBLLU-UHFFFAOYSA-N -1 1 325.767 3.340 20 10 EGCDMM CCCCN(Cc1ccccc1O)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000908046325 1318294686 /nfs/dbraw/zinc/29/46/86/1318294686.db2.gz ZXWZIJMTRFAVEN-UHFFFAOYSA-N -1 1 341.411 3.208 20 10 EGCDMM Cc1ccc2snc(C(=O)OCC(=O)c3ccc([O-])c(O)c3)c2c1 ZINC000815506895 1319006730 /nfs/dbraw/zinc/00/67/30/1319006730.db2.gz NKODXNCZFQYEFO-UHFFFAOYSA-N -1 1 343.360 3.056 20 10 EGCDMM COc1ccc(-n2c(C)cc(C(=O)Nc3c(C)[n-][nH]c3=O)c2C)cc1 ZINC000820402909 1319883417 /nfs/dbraw/zinc/88/34/17/1319883417.db2.gz OTLYDQJFUYYNEM-UHFFFAOYSA-N -1 1 340.383 3.092 20 10 EGCDMM Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1ccc([O-])c(F)c1 ZINC000839920479 1320996162 /nfs/dbraw/zinc/99/61/62/1320996162.db2.gz PUXFCRSSFPIJRC-CYBMUJFWSA-N -1 1 330.403 3.267 20 10 EGCDMM Cc1cc(Br)c([O-])c(C[N@H+]2CCC[C@H](CC(=O)[O-])C2)c1 ZINC000840997232 1321196493 /nfs/dbraw/zinc/19/64/93/1321196493.db2.gz OPIWLJNYAVKSEX-LLVKDONJSA-N -1 1 342.233 3.150 20 10 EGCDMM CC(C)(C)C[N@@H+](CC(=O)[O-])Cc1cccc(Br)c1[O-] ZINC000854244147 1325234649 /nfs/dbraw/zinc/23/46/49/1325234649.db2.gz RSLGGOARYPECLF-UHFFFAOYSA-N -1 1 330.222 3.087 20 10 EGCDMM O=C1COC2(C1)CCN(Cc1cc(Cl)cc(Cl)c1[O-])CC2 ZINC001203573695 1370175025 /nfs/dbraw/zinc/17/50/25/1370175025.db2.gz FNFBZDNTEAVECH-UHFFFAOYSA-N -1 1 330.211 3.023 20 10 EGCDMM Cc1cccc2c1[C@H](NC(=O)c1ccc(O)c([O-])c1Cl)CCO2 ZINC001193237130 1367975178 /nfs/dbraw/zinc/97/51/78/1367975178.db2.gz XBOHFGKBXDQVGO-LLVKDONJSA-N -1 1 333.771 3.313 20 10 EGCDMM COc1cc(S(=O)(=O)[N-]c2ccc(O)c3ccccc23)ccc1F ZINC001200491591 1369379268 /nfs/dbraw/zinc/37/92/68/1369379268.db2.gz ICTBEFKBWVOMPI-UHFFFAOYSA-N -1 1 347.367 3.494 20 10 EGCDMM CCOC(=O)c1sc(-c2ccc([O-])c(CN3CCCO3)c2)nc1C ZINC001232452376 1376462266 /nfs/dbraw/zinc/46/22/66/1376462266.db2.gz VILJVZMOJYAKHR-UHFFFAOYSA-N -1 1 348.424 3.138 20 10 EGCDMM [O-]c1ccc(F)c(F)c1CN1CCN(c2ccc(F)cc2F)CC1 ZINC001233335215 1376620040 /nfs/dbraw/zinc/62/00/40/1376620040.db2.gz MEVQAUZYHSQPGU-UHFFFAOYSA-N -1 1 340.320 3.271 20 10 EGCDMM C[C@@]1(CO)CC(F)(F)CN1Cc1cccc(C(F)(F)F)c1[O-] ZINC001233416032 1376641701 /nfs/dbraw/zinc/64/17/01/1376641701.db2.gz SZMCDSKAXDCLKT-LBPRGKRZSA-N -1 1 325.277 3.003 20 10 EGCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@H]1CCCC2(C1)OCCO2 ZINC001233495442 1376656029 /nfs/dbraw/zinc/65/60/29/1376656029.db2.gz GJBPOWKEKSPOKT-LBPRGKRZSA-N -1 1 336.384 3.145 20 10 EGCDMM C[C@H]1c2ncc(COCC3CC3)n2CCN1Cc1cccc(F)c1[O-] ZINC001138126751 1377681720 /nfs/dbraw/zinc/68/17/20/1377681720.db2.gz JQEVCCFFYYDKIW-ZDUSSCGKSA-N -1 1 345.418 3.231 20 10 EGCDMM Cc1cc(=O)oc2c1ccc([O-])c2CN(C)Cc1cnc2ccccn12 ZINC001139126523 1377833850 /nfs/dbraw/zinc/83/38/50/1377833850.db2.gz IONIOIJWUIWKOL-UHFFFAOYSA-N -1 1 349.390 3.087 20 10 EGCDMM CC(C)(C)OC(=O)NC[C@@H]1CCCN1Cc1c([O-])cc(F)cc1F ZINC001140583882 1378090358 /nfs/dbraw/zinc/09/03/58/1378090358.db2.gz XLSDCVORYVDMAO-LBPRGKRZSA-N -1 1 342.386 3.160 20 10 EGCDMM Cc1cccnc1OC1CCN(Cc2c([O-])cc(F)cc2F)CC1 ZINC001140585732 1378090406 /nfs/dbraw/zinc/09/04/06/1378090406.db2.gz SJVLGGFHTWIJOC-UHFFFAOYSA-N -1 1 334.366 3.417 20 10 EGCDMM Cc1c(Cl)nc(C(C)(C)C)nc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001159279805 1381750343 /nfs/dbraw/zinc/75/03/43/1381750343.db2.gz ZNPUVMAFPFSODB-UHFFFAOYSA-N -1 1 349.818 3.442 20 10 EGCDMM Cc1c(Cl)nc(C2CC2)nc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001170315870 1384289342 /nfs/dbraw/zinc/28/93/42/1384289342.db2.gz ILJQXJSBMHCLOC-UHFFFAOYSA-N -1 1 333.775 3.022 20 10 EGCDMM COc1ccc(N(Cc2cccc(-c3nnn[n-]3)c2)C(C)C)cc1F ZINC000737100249 1428399152 /nfs/dbraw/zinc/39/91/52/1428399152.db2.gz UNZSJLUGUMIKBF-UHFFFAOYSA-N -1 1 341.390 3.429 20 10 EGCDMM CN(C)c1cc(F)c(CN[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1F ZINC001573991277 961829672 /nfs/dbraw/zinc/82/96/72/961829672.db2.gz FUUHHFJKFXTFAJ-RHSMWYFYSA-N -1 1 346.377 3.434 20 10 EGCDMM CC[C@H](C)c1nnc([C@@H](C)N[C@H](C)c2cc(C(=O)[O-])ccc2O)[nH]1 ZINC001595015303 982960779 /nfs/dbraw/zinc/96/07/79/982960779.db2.gz HWCRWQAGBWDWIC-HBNTYKKESA-N -1 1 332.404 3.134 20 10 EGCDMM CC(C)(C)SCC[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC001590429702 989985940 /nfs/dbraw/zinc/98/59/40/989985940.db2.gz HDRGQLAHAJHTAF-UHFFFAOYSA-N -1 1 331.865 3.464 20 10 EGCDMM CC(C)(C)SCC[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC001590429702 989985950 /nfs/dbraw/zinc/98/59/50/989985950.db2.gz HDRGQLAHAJHTAF-UHFFFAOYSA-N -1 1 331.865 3.464 20 10 EGCDMM C[C@H](NCc1ccc(Cl)c(C(=O)[O-])n1)c1ccc(N(C)C)cc1 ZINC001593299722 994724757 /nfs/dbraw/zinc/72/47/57/994724757.db2.gz UPOXYISZFWFTGP-NSHDSACASA-N -1 1 333.819 3.350 20 10 EGCDMM O=C(c1ccccc1)N1CCCN(Cc2cc(Cl)ccc2O)CC1 ZINC000121224859 454408012 /nfs/dbraw/zinc/40/80/12/454408012.db2.gz UJJONCBWWMYHBD-UHFFFAOYSA-N -1 1 344.842 3.394 20 10 EGCDMM COc1ccc(-c2noc(C[N@@H+](C)Cc3ccccc3O)n2)cc1 ZINC000111236121 454859185 /nfs/dbraw/zinc/85/91/85/454859185.db2.gz OIEOIYLOZLVFFT-UHFFFAOYSA-N -1 1 325.368 3.083 20 10 EGCDMM COc1cc(C)c([C@@H](C)NC(=O)c2c(F)ccc(O)c2[O-])cc1OC ZINC000294934165 455832639 /nfs/dbraw/zinc/83/26/39/455832639.db2.gz USFNMKDAQNERJL-SNVBAGLBSA-N -1 1 349.358 3.054 20 10 EGCDMM C[C@@H](NC(=O)c1c(F)ccc(O)c1[O-])c1nc(C2CCCCC2)no1 ZINC000295378707 455848035 /nfs/dbraw/zinc/84/80/35/455848035.db2.gz SDLPLEVWMFHFEU-SECBINFHSA-N -1 1 349.362 3.159 20 10 EGCDMM O=C(c1c([O-])c(O)ccc1F)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000295937331 455863548 /nfs/dbraw/zinc/86/35/48/455863548.db2.gz STPFFTGRVHEPBR-GFCCVEGCSA-N -1 1 333.334 3.081 20 10 EGCDMM CCOC(=O)Cc1cnc(NCc2c([O-])ccc(Cl)c2F)s1 ZINC000834482607 1293103524 /nfs/dbraw/zinc/10/35/24/1293103524.db2.gz KBQNWNOJJQWNML-UHFFFAOYSA-N -1 1 344.795 3.359 20 10 EGCDMM CC(=O)NC[C@@H]1CCCCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000877675493 1299471058 /nfs/dbraw/zinc/47/10/58/1299471058.db2.gz RPGYXJFGFFXPTC-ZDUSSCGKSA-N -1 1 331.243 3.190 20 10 EGCDMM O=C(NCc1cccc(Br)c1[O-])N1CCCCCC1 ZINC000883105865 1302251790 /nfs/dbraw/zinc/25/17/90/1302251790.db2.gz YNTWYXPUWNYBOG-UHFFFAOYSA-N -1 1 327.222 3.240 20 10 EGCDMM COCc1ccc(S(=O)(=O)[N-]c2cccc(N3CCCC3)c2)cc1 ZINC000774706732 1303851565 /nfs/dbraw/zinc/85/15/65/1303851565.db2.gz HJJDTBCZNFIBDJ-UHFFFAOYSA-N -1 1 346.452 3.234 20 10 EGCDMM CC(C)Cc1ccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC000782484518 1304981004 /nfs/dbraw/zinc/98/10/04/1304981004.db2.gz YQNVAHKKWUZRTI-UHFFFAOYSA-N -1 1 328.364 3.336 20 10 EGCDMM CC(C)(CC(=O)OCC(=O)c1ccc([O-])c(O)c1)c1ccccc1 ZINC000783240641 1305069548 /nfs/dbraw/zinc/06/95/48/1305069548.db2.gz RYDRGCVFRIQPDF-UHFFFAOYSA-N -1 1 328.364 3.192 20 10 EGCDMM CC(C)[C@@H](C(=O)OCC(=O)c1ccc([O-])c(O)c1)c1ccccc1 ZINC000783909493 1305161687 /nfs/dbraw/zinc/16/16/87/1305161687.db2.gz IXRRCSMYZUKGRR-GOSISDBHSA-N -1 1 328.364 3.264 20 10 EGCDMM Cc1ccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c(Cl)c1C ZINC000784657664 1305268307 /nfs/dbraw/zinc/26/83/07/1305268307.db2.gz HGURBTJXBJEMCP-UHFFFAOYSA-N -1 1 334.755 3.408 20 10 EGCDMM CCn1cc(CN(C)Cc2cc(Br)cc(F)c2[O-])cn1 ZINC000894027284 1306179880 /nfs/dbraw/zinc/17/98/80/1306179880.db2.gz MAETUTKYYVKUJP-UHFFFAOYSA-N -1 1 342.212 3.142 20 10 EGCDMM O=C(N[C@H]1CCSc2c(F)cccc21)c1c(F)ccc(O)c1[O-] ZINC000789956275 1306237786 /nfs/dbraw/zinc/23/77/86/1306237786.db2.gz DCRTVXCGNXGESG-NSHDSACASA-N -1 1 337.347 3.343 20 10 EGCDMM CC1(C)CC[C@H]1NC(=O)NCc1cccc(Br)c1[O-] ZINC000806022457 1317449075 /nfs/dbraw/zinc/44/90/75/1317449075.db2.gz WUMJQRIBVDXHFU-LLVKDONJSA-N -1 1 327.222 3.143 20 10 EGCDMM CC1(C)CC[C@@H]1NC(=O)NCc1cccc(Br)c1[O-] ZINC000806022458 1317449576 /nfs/dbraw/zinc/44/95/76/1317449576.db2.gz WUMJQRIBVDXHFU-NSHDSACASA-N -1 1 327.222 3.143 20 10 EGCDMM O=C1COc2c(NCc3cccc(Br)c3[O-])cccc2N1 ZINC000810161647 1317967078 /nfs/dbraw/zinc/96/70/78/1317967078.db2.gz QFUCQRCCKWNHSY-UHFFFAOYSA-N -1 1 349.184 3.098 20 10 EGCDMM CN(C)C(=O)Cc1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1 ZINC000816522481 1319174878 /nfs/dbraw/zinc/17/48/78/1319174878.db2.gz BGODVQKYWYQNJP-UHFFFAOYSA-N -1 1 336.794 3.428 20 10 EGCDMM COCCN1C(=O)c2ccccc2N[C@@H]1c1cccc(Cl)c1[O-] ZINC000917501342 1319823406 /nfs/dbraw/zinc/82/34/06/1319823406.db2.gz OSAPZLYBNJDTNW-INIZCTEOSA-N -1 1 332.787 3.259 20 10 EGCDMM O=C(c1c([O-])c(O)ccc1F)N1CCC(Cc2ccccc2F)CC1 ZINC000825810205 1320364113 /nfs/dbraw/zinc/36/41/13/1320364113.db2.gz JCFZHAOPTXWJHM-UHFFFAOYSA-N -1 1 347.361 3.471 20 10 EGCDMM CCOC(=O)C[C@@H](NCc1c([O-])cccc1Cl)C(F)(F)F ZINC000827006018 1320420117 /nfs/dbraw/zinc/42/01/17/1320420117.db2.gz KBJDFLRNUCLTBZ-LLVKDONJSA-N -1 1 325.714 3.019 20 10 EGCDMM O=C(NCc1cccc(Br)c1[O-])NC1CC2(CCC2)C1 ZINC000845726195 1321736146 /nfs/dbraw/zinc/73/61/46/1321736146.db2.gz NVUQTIFVPWOUGK-UHFFFAOYSA-N -1 1 339.233 3.287 20 10 EGCDMM CC(C)(C)[C@@H](C[NH2+]Cc1c([O-])cccc1Br)CC(=O)[O-] ZINC000864505784 1329619943 /nfs/dbraw/zinc/61/99/43/1329619943.db2.gz TVECTSCPIQQALL-SNVBAGLBSA-N -1 1 344.249 3.381 20 10 EGCDMM Cc1cc(NC(=O)NCC(=O)c2ccc([O-])c(O)c2)ccc1Cl ZINC001191782856 1367586511 /nfs/dbraw/zinc/58/65/11/1367586511.db2.gz DRQPPWOXSQRPKF-UHFFFAOYSA-N -1 1 334.759 3.064 20 10 EGCDMM COc1ccc2c(c1NC(=O)c1ccc(O)c([O-])c1Cl)C(=O)CC2 ZINC001193230053 1367972044 /nfs/dbraw/zinc/97/20/44/1367972044.db2.gz PINZPJMTXQGUIA-UHFFFAOYSA-N -1 1 347.754 3.141 20 10 EGCDMM O=C(Nc1cccc(-c2nnco2)c1)c1ccc(O)c([O-])c1Cl ZINC001193233147 1367972122 /nfs/dbraw/zinc/97/21/22/1367972122.db2.gz VPZLREWELPVKGI-UHFFFAOYSA-N -1 1 331.715 3.054 20 10 EGCDMM O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(O)c([O-])c1Cl ZINC001193236445 1367975192 /nfs/dbraw/zinc/97/51/92/1367975192.db2.gz CVJDMPLXDPZFAS-IUODEOHRSA-N -1 1 347.798 3.401 20 10 EGCDMM CC(=O)Nc1ccc([C@H](C)NC(=O)c2ccc(O)c([O-])c2Cl)cc1 ZINC001193254805 1367981369 /nfs/dbraw/zinc/98/13/69/1367981369.db2.gz KYHXINRMJKISRT-VIFPVBQESA-N -1 1 348.786 3.201 20 10 EGCDMM O=c1[nH]ccc2c1CCN(Cc1cc(Cl)cc(Cl)c1[O-])C2 ZINC001203581852 1370178301 /nfs/dbraw/zinc/17/83/01/1370178301.db2.gz ACLYJPGSMOOXRZ-UHFFFAOYSA-N -1 1 325.195 3.358 20 10 EGCDMM Nc1ccc(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)c(F)n1 ZINC001203620329 1370189998 /nfs/dbraw/zinc/18/99/98/1370189998.db2.gz UFCCGDMQYPGOIJ-UHFFFAOYSA-N -1 1 349.321 3.028 20 10 EGCDMM COc1ncc(-c2noc(-c3ccc(O)c([O-])c3Cl)n2)cc1C ZINC001216954077 1373369917 /nfs/dbraw/zinc/36/99/17/1373369917.db2.gz NYVBBKIPIZMWBZ-UHFFFAOYSA-N -1 1 333.731 3.180 20 10 EGCDMM CC(C)(C)c1ccc(C(=O)NCC(=O)c2ccc([O-])c(O)c2)s1 ZINC001188257096 1388276773 /nfs/dbraw/zinc/27/67/73/1388276773.db2.gz IAFHLVWXVJJIJB-UHFFFAOYSA-N -1 1 333.409 3.070 20 10 EGCDMM CN(C(=O)OC(C)(C)C)[C@H]1CCN1Cc1cc(Cl)c([O-])cc1O ZINC001232262315 1376426476 /nfs/dbraw/zinc/42/64/76/1376426476.db2.gz BQEJYERSEQUJBL-CQSZACIVSA-N -1 1 342.823 3.150 20 10 EGCDMM CN(Cc1cncc(Br)c1)Cc1ccc(F)c(F)c1[O-] ZINC001233075788 1376563825 /nfs/dbraw/zinc/56/38/25/1376563825.db2.gz DJIWNFXOLNGUMU-UHFFFAOYSA-N -1 1 343.171 3.460 20 10 EGCDMM C[C@@H]1c2ncc(COCC3CC3)n2CCN1Cc1cccc(F)c1[O-] ZINC001138126750 1377681811 /nfs/dbraw/zinc/68/18/11/1377681811.db2.gz JQEVCCFFYYDKIW-CYBMUJFWSA-N -1 1 345.418 3.231 20 10 EGCDMM [O-]c1cc(Cl)ccc1CN1CCn2c(Br)cnc2C1 ZINC001140466922 1378069104 /nfs/dbraw/zinc/06/91/04/1378069104.db2.gz MJHNRTCNFVHROF-UHFFFAOYSA-N -1 1 342.624 3.020 20 10 EGCDMM [O-]c1c(Br)cc(Cl)cc1CN1C[C@@H]2CCO[C@@H]2C1 ZINC001141373134 1378313400 /nfs/dbraw/zinc/31/34/00/1378313400.db2.gz OJAWQNCZQFTDJS-QPUJVOFHSA-N -1 1 332.625 3.029 20 10 EGCDMM O=C(CNC(=O)c1ccc2ccccc2c1F)c1ccc([O-])c(O)c1 ZINC001154301618 1380251016 /nfs/dbraw/zinc/25/10/16/1380251016.db2.gz XHDMGBOOJQPOAS-UHFFFAOYSA-N -1 1 339.322 3.003 20 10 EGCDMM CC(C)(C)C1CCN(C(=O)c2cc3cc(O)c([O-])cc3oc2=O)CC1 ZINC001155222644 1380426437 /nfs/dbraw/zinc/42/64/37/1380426437.db2.gz RGWZBBARJCXMTA-UHFFFAOYSA-N -1 1 345.395 3.103 20 10 EGCDMM CCOc1ccc(N(C)Cc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000736644325 1446878171 /nfs/dbraw/zinc/87/81/71/1446878171.db2.gz IGRMPHSRXBHNMX-UHFFFAOYSA-N -1 1 327.363 3.041 20 10 EGCDMM O=C([O-])[C@@H]1C[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C[C@H]1c1ccccc1 ZINC001606434997 973886246 /nfs/dbraw/zinc/88/62/46/973886246.db2.gz QWBLJOKIGNRTTJ-UONOGXRCSA-N -1 1 349.789 3.485 20 10 EGCDMM CC[C@H](C)[N@@H+](CC(=O)[O-])Cc1cc(C)cc(Br)c1[O-] ZINC001594979662 982771529 /nfs/dbraw/zinc/77/15/29/982771529.db2.gz XMZSAXQBVROLCY-JTQLQIEISA-N -1 1 330.222 3.148 20 10 EGCDMM COc1ccccc1[C@H](C)NC(=O)[C@H](C)N(C)Cc1ccccc1O ZINC000109769640 454836121 /nfs/dbraw/zinc/83/61/21/454836121.db2.gz NWVJVQJHWIHZLD-GJZGRUSLSA-N -1 1 342.439 3.099 20 10 EGCDMM COCCCn1c(C)cc(C(=O)C[N@@H+](C)Cc2ccccc2O)c1C ZINC000111235726 454859156 /nfs/dbraw/zinc/85/91/56/454859156.db2.gz HIYWPVRAJGTTKJ-UHFFFAOYSA-N -1 1 344.455 3.162 20 10 EGCDMM O=C(NCc1cccc(Br)c1[O-])N[C@H]1CC=CCC1 ZINC000277760801 455658369 /nfs/dbraw/zinc/65/83/69/455658369.db2.gz OKQGAPLAVCXHKD-NSHDSACASA-N -1 1 325.206 3.063 20 10 EGCDMM Cc1ccc(C)n1C1CCN(C(=O)c2c([O-])c(O)ccc2F)CC1 ZINC000295022745 455835657 /nfs/dbraw/zinc/83/56/57/455835657.db2.gz HPBXVZZYGMZZOU-UHFFFAOYSA-N -1 1 332.375 3.133 20 10 EGCDMM CN(C)c1ccc(CN[C@@H](CC(=O)[O-])c2ccc(F)cc2F)cc1 ZINC000277240260 456739383 /nfs/dbraw/zinc/73/93/83/456739383.db2.gz JDPHPVDYODVQTB-KRWDZBQOSA-N -1 1 334.366 3.336 20 10 EGCDMM C[C@@H]1CCC[C@H]1NC(=O)NCc1cccc(Br)c1[O-] ZINC000277428232 456820941 /nfs/dbraw/zinc/82/09/41/456820941.db2.gz LRJKAQBAHNNSOO-BXKDBHETSA-N -1 1 327.222 3.143 20 10 EGCDMM Cc1cc(C(=O)NCc2cccc(Br)c2[O-])c(C)n1C ZINC000277510913 456848552 /nfs/dbraw/zinc/84/85/52/456848552.db2.gz KWOLDTKPODFSGE-UHFFFAOYSA-N -1 1 337.217 3.040 20 10 EGCDMM CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](Cc3cnn(C)c3)C2)c1[O-] ZINC000370214901 457587846 /nfs/dbraw/zinc/58/78/46/457587846.db2.gz ISLKXKMCUWCRQX-ZDUSSCGKSA-N -1 1 347.846 3.046 20 10 EGCDMM O=C(NCc1cccc(Br)c1[O-])c1cc2c([nH]1)CCCC2 ZINC000830529285 1292729167 /nfs/dbraw/zinc/72/91/67/1292729167.db2.gz GTDLNGUUSFEKQQ-UHFFFAOYSA-N -1 1 349.228 3.292 20 10 EGCDMM COc1ccc(N(CCC[N-]C(=O)C(F)(F)F)C(C)C)cc1F ZINC000091617704 1292837667 /nfs/dbraw/zinc/83/76/67/1292837667.db2.gz RSLONVXKNLIDJC-UHFFFAOYSA-N -1 1 336.329 3.118 20 10 EGCDMM O=C(NCCc1csc2ccccc12)c1c(F)ccc(O)c1[O-] ZINC000764354614 1302049369 /nfs/dbraw/zinc/04/93/69/1302049369.db2.gz WKOPMVPMBAXUHC-UHFFFAOYSA-N -1 1 331.368 3.424 20 10 EGCDMM Cc1occc1CNC(=O)NCc1cccc(Br)c1[O-] ZINC000764764491 1302129793 /nfs/dbraw/zinc/12/97/93/1302129793.db2.gz PZOMGPVINNOGEI-UHFFFAOYSA-N -1 1 339.189 3.056 20 10 EGCDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H]1CCC(F)(F)C1 ZINC000764797059 1302138202 /nfs/dbraw/zinc/13/82/02/1302138202.db2.gz IUUMZWJNYLSRGN-SECBINFHSA-N -1 1 349.175 3.142 20 10 EGCDMM [O-]c1c(F)cc(F)cc1CNc1ccc(N2CCOCC2)c(F)c1 ZINC000883061778 1302228190 /nfs/dbraw/zinc/22/81/90/1302228190.db2.gz HGMHGDOYWOIBNO-UHFFFAOYSA-N -1 1 338.329 3.258 20 10 EGCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@@H]1CC=CCC1 ZINC000765481680 1302271245 /nfs/dbraw/zinc/27/12/45/1302271245.db2.gz RIUHIVUIRKTPPW-LLVKDONJSA-N -1 1 339.233 3.310 20 10 EGCDMM Cc1ccccc1CC(=O)NCc1cccc(Br)c1[O-] ZINC000765727910 1302314209 /nfs/dbraw/zinc/31/42/09/1302314209.db2.gz QYTXOCRKTVINPG-UHFFFAOYSA-N -1 1 334.213 3.322 20 10 EGCDMM CC(C)[C@@]1(C)C[C@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000765751993 1302319032 /nfs/dbraw/zinc/31/90/32/1302319032.db2.gz VMPWZJBARQNWKM-XHDPSFHLSA-N -1 1 326.234 3.453 20 10 EGCDMM CCC(C)(C)NC(=S)NCc1cccc(Br)c1[O-] ZINC000765992660 1302366034 /nfs/dbraw/zinc/36/60/34/1302366034.db2.gz MSPHJLRAOFJYTC-UHFFFAOYSA-N -1 1 331.279 3.307 20 10 EGCDMM O=C(c1ccc(Cl)cc1)N1CCN(Cc2cccc(F)c2[O-])CC1 ZINC000778994370 1304515129 /nfs/dbraw/zinc/51/51/29/1304515129.db2.gz DNQQDJSKXGDDIQ-UHFFFAOYSA-N -1 1 348.805 3.143 20 10 EGCDMM Cc1cc(C)c(C=CC(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1C ZINC000782859869 1305017653 /nfs/dbraw/zinc/01/76/53/1305017653.db2.gz DKZRQBBMEOZLHQ-FNORWQNLSA-N -1 1 340.375 3.462 20 10 EGCDMM COc1cccc([C@@H](C)CC(=O)OCC(=O)c2ccc([O-])c(O)c2)c1 ZINC000784065331 1305185038 /nfs/dbraw/zinc/18/50/38/1305185038.db2.gz IDXGUMRBHFVYEA-LBPRGKRZSA-N -1 1 344.363 3.026 20 10 EGCDMM CC(C)(C)SCCCC(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784360019 1305234798 /nfs/dbraw/zinc/23/47/98/1305234798.db2.gz GRDKWLRMSAPURI-UHFFFAOYSA-N -1 1 326.414 3.136 20 10 EGCDMM O=C(COC(=O)c1cccc2ccsc21)c1ccc([O-])c(O)c1 ZINC000784758332 1305280252 /nfs/dbraw/zinc/28/02/52/1305280252.db2.gz YXAVGVRWDJUHJI-UHFFFAOYSA-N -1 1 328.345 3.352 20 10 EGCDMM CC(C)(C)OCCCC(=O)NCc1cccc(Br)c1[O-] ZINC000803213983 1317091872 /nfs/dbraw/zinc/09/18/72/1317091872.db2.gz KDEDNEYMABTSFL-UHFFFAOYSA-N -1 1 344.249 3.366 20 10 EGCDMM CC[C@H](Nc1cccc(OCC(N)=O)c1)c1cccc(Cl)c1[O-] ZINC000806152133 1317466481 /nfs/dbraw/zinc/46/64/81/1317466481.db2.gz OSKXFIGHXJWZBS-HNNXBMFYSA-N -1 1 334.803 3.473 20 10 EGCDMM O=C([O-])C[C@H]([NH2+]Cc1c([O-])cccc1Br)C1CCCC1 ZINC000904044032 1317776061 /nfs/dbraw/zinc/77/60/61/1317776061.db2.gz YGHJDEGQUYLWSV-ZDUSSCGKSA-N -1 1 342.233 3.278 20 10 EGCDMM CC(C)(C)n1cnc(NCc2cc(Br)cc(F)c2[O-])n1 ZINC000905411763 1317955923 /nfs/dbraw/zinc/95/59/23/1317955923.db2.gz SMBRDJOXZXAPHK-UHFFFAOYSA-N -1 1 343.200 3.252 20 10 EGCDMM COCc1ccccc1/C=C(C)/C=C1/C(=O)[N-]N(c2ccccc2)C1=O ZINC000814187832 1318693831 /nfs/dbraw/zinc/69/38/31/1318693831.db2.gz BUHUOYPZKZWBRN-JGEPBQDUSA-N -1 1 348.402 3.241 20 10 EGCDMM Cc1nsc(C)c1C(=O)NCc1cccc(Br)c1[O-] ZINC000816496259 1319166728 /nfs/dbraw/zinc/16/67/28/1319166728.db2.gz CCBBJQNPOZYWRY-UHFFFAOYSA-N -1 1 341.230 3.158 20 10 EGCDMM CCOC(=O)c1ccc(C[NH2+]Cc2cc(Cl)c(F)cc2O)o1 ZINC000816610369 1319194027 /nfs/dbraw/zinc/19/40/27/1319194027.db2.gz ILJDPVUSEQNGNX-UHFFFAOYSA-N -1 1 327.739 3.244 20 10 EGCDMM O=S1(=O)C[C@@H]([NH2+]Cc2ccc3ccccc3c2O)c2ccccc21 ZINC000816611521 1319194096 /nfs/dbraw/zinc/19/40/96/1319194096.db2.gz RKWNSCYOTNSSLP-QGZVFWFLSA-N -1 1 339.416 3.164 20 10 EGCDMM CCN(CC)c1ccc(CN(C)C(=O)c2c([O-])c(O)ccc2F)cc1 ZINC000823771200 1320205651 /nfs/dbraw/zinc/20/56/51/1320205651.db2.gz WEOJGDYRLHGENI-UHFFFAOYSA-N -1 1 346.402 3.355 20 10 EGCDMM COc1ccc(C[C@H](C)CN(C)C(=O)c2c(F)ccc(O)c2[O-])cc1 ZINC000827501396 1320457827 /nfs/dbraw/zinc/45/78/27/1320457827.db2.gz OQNHIMHYRGDUSE-LBPRGKRZSA-N -1 1 347.386 3.196 20 10 EGCDMM O=[N+]([O-])c1cc(Cl)cc(CN2C[C@@H](O)C[C@H]2c2ccccc2)c1[O-] ZINC000840956383 1321185410 /nfs/dbraw/zinc/18/54/10/1321185410.db2.gz SSGQSNRQLIMALZ-GJZGRUSLSA-N -1 1 348.786 3.262 20 10 EGCDMM C[C@@]1(C(=O)[O-])CCCC[C@@H]1[NH2+]Cc1c([O-])cccc1Br ZINC000864510014 1329620275 /nfs/dbraw/zinc/62/02/75/1329620275.db2.gz UNYIJBAAULTWFY-DZGCQCFKSA-N -1 1 342.233 3.278 20 10 EGCDMM Cc1cc(Br)c([O-])c(CN2CCCC(=O)[C@@H](C)C2)c1 ZINC001236662797 1376959288 /nfs/dbraw/zinc/95/92/88/1376959288.db2.gz HPVJTTMDUUJNSP-NSHDSACASA-N -1 1 326.234 3.264 20 10 EGCDMM O=C(Nc1cc(-c2ccccc2)cnn1)c1ccc(O)c([O-])c1Cl ZINC001193219914 1367970034 /nfs/dbraw/zinc/97/00/34/1367970034.db2.gz NIQPGMDTPZVJAH-UHFFFAOYSA-N -1 1 341.754 3.461 20 10 EGCDMM COC(=O)c1cc(C)c(C)c(NC(=O)c2ccc(O)c([O-])c2Cl)c1 ZINC001193229749 1367972777 /nfs/dbraw/zinc/97/27/77/1367972777.db2.gz MBPPFOBWTXREDY-UHFFFAOYSA-N -1 1 349.770 3.407 20 10 EGCDMM O=C(Nc1ccc(-c2ccncn2)cc1)c1ccc(O)c([O-])c1Cl ZINC001193229012 1367972960 /nfs/dbraw/zinc/97/29/60/1367972960.db2.gz CFHPCVYSFSBFMO-UHFFFAOYSA-N -1 1 341.754 3.461 20 10 EGCDMM N=C(NC(=O)c1ccc(O)c([O-])c1Cl)c1ccc2ccccc2n1 ZINC001193246974 1367978874 /nfs/dbraw/zinc/97/88/74/1367978874.db2.gz GDSXUUHTRTZSOJ-UHFFFAOYSA-N -1 1 341.754 3.055 20 10 EGCDMM O=S(=O)([N-]c1ccc(O)cc1F)c1cnc(Cl)cc1Cl ZINC001325378664 1387954667 /nfs/dbraw/zinc/95/46/67/1387954667.db2.gz TXEBGGBQXRNJTB-UHFFFAOYSA-N -1 1 337.159 3.034 20 10 EGCDMM O=C1CC[C@]2(CCCN(Cc3cc(Cl)cc(Cl)c3[O-])C2)O1 ZINC001203581899 1370177926 /nfs/dbraw/zinc/17/79/26/1370177926.db2.gz DKQIVIAZOOKYKG-HNNXBMFYSA-N -1 1 330.211 3.371 20 10 EGCDMM CCOC(=O)NC1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC001203585481 1370178655 /nfs/dbraw/zinc/17/86/55/1370178655.db2.gz JIZJEUOZHBQMQD-UHFFFAOYSA-N -1 1 347.242 3.410 20 10 EGCDMM COc1cccc(-c2noc(-c3ccc(O)c([O-])c3Cl)n2)c1OC ZINC001216952152 1373370105 /nfs/dbraw/zinc/37/01/05/1373370105.db2.gz VHIGGQXBWDYHJB-UHFFFAOYSA-N -1 1 348.742 3.485 20 10 EGCDMM COc1ccccc1C[C@@H](C)[N@H+](C)Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231565304 1376265085 /nfs/dbraw/zinc/26/50/85/1376265085.db2.gz DPZPHFKIUYQGRL-CYBMUJFWSA-N -1 1 329.396 3.162 20 10 EGCDMM COc1ccccc1C[C@@H](C)[N@@H+](C)Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231565304 1376265093 /nfs/dbraw/zinc/26/50/93/1376265093.db2.gz DPZPHFKIUYQGRL-CYBMUJFWSA-N -1 1 329.396 3.162 20 10 EGCDMM CCOc1ccc(N2CCN(Cc3ccc(F)c(F)c3[O-])CC2)cc1 ZINC001233079634 1376564876 /nfs/dbraw/zinc/56/48/76/1376564876.db2.gz IFRIHGUMDXZIIG-UHFFFAOYSA-N -1 1 348.393 3.391 20 10 EGCDMM C[C@]1(CO)CC(F)(F)CN1Cc1cccc(C(F)(F)F)c1[O-] ZINC001233416031 1376641181 /nfs/dbraw/zinc/64/11/81/1376641181.db2.gz SZMCDSKAXDCLKT-GFCCVEGCSA-N -1 1 325.277 3.003 20 10 EGCDMM CC(=O)[C@H]1CCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001141374655 1378313180 /nfs/dbraw/zinc/31/31/80/1378313180.db2.gz LVYAUWCJILCRLC-VIFPVBQESA-N -1 1 332.625 3.219 20 10 EGCDMM C[C@@H]1C[C@H](NC(=O)c2cc3cc(O)c([O-])cc3oc2=O)CC(C)(C)C1 ZINC001155235010 1380427546 /nfs/dbraw/zinc/42/75/46/1380427546.db2.gz VOSIPEJYXDELMU-PWSUYJOCSA-N -1 1 345.395 3.149 20 10 EGCDMM O=C(CNc1nc(Cl)nc2c1CCCCC2)c1ccc([O-])c(O)c1 ZINC001159277756 1381750031 /nfs/dbraw/zinc/75/00/31/1381750031.db2.gz YPWYZIMGRKGKLZ-UHFFFAOYSA-N -1 1 347.802 3.105 20 10 EGCDMM O=C(CNc1cc(F)cc2ncnc(Cl)c21)c1ccc([O-])c(O)c1 ZINC001159278925 1381750320 /nfs/dbraw/zinc/75/03/20/1381750320.db2.gz FZJATMWHQOTZQR-UHFFFAOYSA-N -1 1 347.733 3.128 20 10 EGCDMM CCn1cc(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)cn1 ZINC001174569554 1385120545 /nfs/dbraw/zinc/12/05/45/1385120545.db2.gz CQLYBRTZICECTI-UHFFFAOYSA-N -1 1 333.347 3.128 20 10 EGCDMM CN(C)c1ccc(C=CC(=O)Nc2cc(=O)n(-c3ccccc3)[n-]2)cc1 ZINC001180122797 1386704067 /nfs/dbraw/zinc/70/40/67/1386704067.db2.gz GIWGIEKQZRVVHR-JLHYYAGUSA-N -1 1 348.406 3.296 20 10 EGCDMM CCN(CC)c1ccc(CNc2nc(C)ccc2-c2nnn[n-]2)cc1 ZINC000825416469 1424207182 /nfs/dbraw/zinc/20/71/82/1424207182.db2.gz JAKCUCOVOKFSML-UHFFFAOYSA-N -1 1 337.431 3.028 20 10 EGCDMM O=C([O-])CCCCCNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000840992150 955574131 /nfs/dbraw/zinc/57/41/31/955574131.db2.gz LWBHVYSFOFXQGA-UHFFFAOYSA-N -1 1 349.214 3.143 20 10 EGCDMM Cc1cc(Br)cc(C[N@@H+]2CC[C@@H](C)[C@H](C(=O)[O-])C2)c1O ZINC000843039634 955620253 /nfs/dbraw/zinc/62/02/53/955620253.db2.gz DEKSYBLIVFITAW-NOZJJQNGSA-N -1 1 342.233 3.006 20 10 EGCDMM O=C([O-])[C@]1(C(=O)NCc2cc(Cl)cc(Cl)c2O)CC=CCC1 ZINC001605930880 972859901 /nfs/dbraw/zinc/85/99/01/972859901.db2.gz NBDCJLYIZMTNPU-OAHLLOKOSA-N -1 1 344.194 3.126 20 10 EGCDMM CCN(C)c1ccc(CN2CCOc3cc(C(=O)[O-])ccc3C2)cc1 ZINC001596194304 983576896 /nfs/dbraw/zinc/57/68/96/983576896.db2.gz HTZIRVNEFSXETP-UHFFFAOYSA-N -1 1 340.423 3.236 20 10 EGCDMM C[C@@H](Oc1ccc(C[NH2+]Cc2cc(Cl)ccc2[O-])cc1)C(=O)[O-] ZINC001593618417 995858008 /nfs/dbraw/zinc/85/80/08/995858008.db2.gz XECUNMZEXGXSSS-LLVKDONJSA-N -1 1 335.787 3.187 20 10 EGCDMM CCN1C(=O)/C(=C/c2ccc([O-])c(Br)c2)SC1=S ZINC000006779622 452986919 /nfs/dbraw/zinc/98/69/19/452986919.db2.gz SAFMAIWKWKCBCB-POHAHGRESA-N -1 1 344.255 3.376 20 10 EGCDMM C[C@H](C(=O)N(C)Cc1cccc(F)c1)N(C)Cc1ccccc1O ZINC000109772397 454835225 /nfs/dbraw/zinc/83/52/25/454835225.db2.gz FOPYVQNCNONBSG-CQSZACIVSA-N -1 1 330.403 3.010 20 10 EGCDMM CC(=O)c1cccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2O)c1 ZINC000109770206 454835988 /nfs/dbraw/zinc/83/59/88/454835988.db2.gz KMHUKDBNJTXQQF-CYBMUJFWSA-N -1 1 326.396 3.054 20 10 EGCDMM COc1cc(C)c([C@H](C)NC(=O)c2c(F)ccc(O)c2[O-])cc1OC ZINC000294934163 455832520 /nfs/dbraw/zinc/83/25/20/455832520.db2.gz USFNMKDAQNERJL-JTQLQIEISA-N -1 1 349.358 3.054 20 10 EGCDMM CC(=O)N[C@@H]1Cc2ccccc2N(Cc2cccc(Cl)c2[O-])C1 ZINC000367990919 458003146 /nfs/dbraw/zinc/00/31/46/458003146.db2.gz SDZAWLNQGVRPIH-OAHLLOKOSA-N -1 1 330.815 3.113 20 10 EGCDMM O=C([O-])[C@@H]1CCC[N@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C1 ZINC000739583875 576431882 /nfs/dbraw/zinc/43/18/82/576431882.db2.gz YRNSIUYARKSITD-GFCCVEGCSA-N -1 1 329.396 3.314 20 10 EGCDMM O=C([O-])[C@@H]1CCC[N@@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C1 ZINC000739583875 576431883 /nfs/dbraw/zinc/43/18/83/576431883.db2.gz YRNSIUYARKSITD-GFCCVEGCSA-N -1 1 329.396 3.314 20 10 EGCDMM CC(C)OC[C@@H](C(=O)[O-])N(C)Cc1cc(-c2ccccc2)ccc1O ZINC000833506029 604768215 /nfs/dbraw/zinc/76/82/15/604768215.db2.gz QORKLBSFLLLWRJ-SFHVURJKSA-N -1 1 343.423 3.369 20 10 EGCDMM COc1ccc(N(C)Cc2ccc(-c3nn[n-]n3)s2)cc1Cl ZINC000826209228 609173919 /nfs/dbraw/zinc/17/39/19/609173919.db2.gz SERLFELTSVRVMV-UHFFFAOYSA-N -1 1 335.820 3.227 20 10 EGCDMM O=C(CSc1nnc(Cc2cccs2)o1)c1ccc([O-])c(O)c1 ZINC000066262025 1292109034 /nfs/dbraw/zinc/10/90/34/1292109034.db2.gz CBNWEUUCGSXZMQ-UHFFFAOYSA-N -1 1 348.405 3.108 20 10 EGCDMM COC[C@H](NCc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccco1 ZINC000177577727 1294678006 /nfs/dbraw/zinc/67/80/06/1294678006.db2.gz NKZJNPUFLKLNCA-NSHDSACASA-N -1 1 326.736 3.024 20 10 EGCDMM O=C1[N-]C(=S)S/C1=C\c1ccc(OCc2ccccc2)cc1O ZINC000706504910 1298221727 /nfs/dbraw/zinc/22/17/27/1298221727.db2.gz KEYPJUZEAZRRHT-NVNXTCNLSA-N -1 1 343.429 3.460 20 10 EGCDMM CN(C)C(=O)NCCc1ccc(NCc2cccc(Cl)c2[O-])cc1 ZINC000877691580 1299484395 /nfs/dbraw/zinc/48/43/95/1299484395.db2.gz SBBQBSMMRRJVTN-UHFFFAOYSA-N -1 1 347.846 3.471 20 10 EGCDMM CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1c(C)cc(C)cc1C ZINC000758775156 1300953423 /nfs/dbraw/zinc/95/34/23/1300953423.db2.gz SFRYTOMCXLPRKF-UHFFFAOYSA-N -1 1 333.409 3.321 20 10 EGCDMM Cc1cnc(NCc2cccc(Br)c2[O-])c([N+](=O)[O-])c1 ZINC000764933059 1302169729 /nfs/dbraw/zinc/16/97/29/1302169729.db2.gz BVUXCNAKCZRXAS-UHFFFAOYSA-N -1 1 338.161 3.378 20 10 EGCDMM Cc1nc(NC(=O)NCc2cccc(Br)c2[O-])oc1C ZINC000765254804 1302231540 /nfs/dbraw/zinc/23/15/40/1302231540.db2.gz ZJSIENKAHPQBPE-UHFFFAOYSA-N -1 1 340.177 3.081 20 10 EGCDMM O=C(Cc1ccsc1)NCc1cccc(Br)c1[O-] ZINC000765752967 1302318217 /nfs/dbraw/zinc/31/82/17/1302318217.db2.gz KQUDOYQGVIIVMB-UHFFFAOYSA-N -1 1 326.215 3.075 20 10 EGCDMM CC(=O)c1ccc(C(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765751291 1302319180 /nfs/dbraw/zinc/31/91/80/1302319180.db2.gz DNWYRLMBPUNKBQ-UHFFFAOYSA-N -1 1 348.196 3.287 20 10 EGCDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1Cc2ccccc21 ZINC000765750827 1302319297 /nfs/dbraw/zinc/31/92/97/1302319297.db2.gz LQBZGNBCFXDZDT-CYBMUJFWSA-N -1 1 332.197 3.111 20 10 EGCDMM COCCOc1ccc(SCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC000769847850 1303183594 /nfs/dbraw/zinc/18/35/94/1303183594.db2.gz ZKQYCFOFWOGFDJ-UHFFFAOYSA-N -1 1 334.393 3.098 20 10 EGCDMM [O-]c1c(F)cc(Cl)cc1CN1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000775689268 1304015587 /nfs/dbraw/zinc/01/55/87/1304015587.db2.gz GGEXERRUXPUHJR-ZYHUDNBSSA-N -1 1 327.705 3.072 20 10 EGCDMM CC[C@H](Cc1ccccc1)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783628926 1305120114 /nfs/dbraw/zinc/12/01/14/1305120114.db2.gz HQTWFIWMVABQQW-CQSZACIVSA-N -1 1 328.364 3.093 20 10 EGCDMM C[C@@H](CCC(=O)OCC(=O)c1ccc([O-])c(O)c1)c1ccccc1 ZINC000784318722 1305228469 /nfs/dbraw/zinc/22/84/69/1305228469.db2.gz AVXJGMZEKORBKT-ZDUSSCGKSA-N -1 1 328.364 3.408 20 10 EGCDMM COc1ccc2c(c1)CCC[C@@H]2CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000790000311 1306246130 /nfs/dbraw/zinc/24/61/30/1306246130.db2.gz VNXOMZNTLYCLTK-GFCCVEGCSA-N -1 1 345.370 3.095 20 10 EGCDMM COCC(=O)Nc1ccc(NCc2c([O-])ccc(Cl)c2F)cc1 ZINC000790952834 1308894258 /nfs/dbraw/zinc/89/42/58/1308894258.db2.gz JIXBCWVJMYBINI-UHFFFAOYSA-N -1 1 338.766 3.382 20 10 EGCDMM CC1(C)CN(Cc2cc(Cl)cc(Br)c2[O-])C[C@H]1O ZINC000894595911 1308970333 /nfs/dbraw/zinc/97/03/33/1308970333.db2.gz LPWMHYJZZVTMQW-LLVKDONJSA-N -1 1 334.641 3.011 20 10 EGCDMM O=C1[N-]C(=S)S/C1=C/c1c(Cl)nc2cc(Cl)ccn21 ZINC000794692387 1309575930 /nfs/dbraw/zinc/57/59/30/1309575930.db2.gz WFYRCSZOTTWXGT-QPJJXVBHSA-N -1 1 330.221 3.130 20 10 EGCDMM O=C1[N-]C(=S)S/C1=C\c1c(Cl)nc2cc(Cl)ccn21 ZINC000794692384 1309576779 /nfs/dbraw/zinc/57/67/79/1309576779.db2.gz WFYRCSZOTTWXGT-DAXSKMNVSA-N -1 1 330.221 3.130 20 10 EGCDMM CCN(Cc1ccc(N(C)C)cc1)C(=O)c1c(F)ccc([O-])c1F ZINC000798285363 1310335539 /nfs/dbraw/zinc/33/55/39/1310335539.db2.gz SJNUMHKNTOXJGZ-UHFFFAOYSA-N -1 1 334.366 3.399 20 10 EGCDMM O=C(OCC(=O)c1ccc([O-])c(O)c1)c1ccc(C(F)(F)F)s1 ZINC000803864296 1317173984 /nfs/dbraw/zinc/17/39/84/1317173984.db2.gz RBLCLFPWFRUJGW-UHFFFAOYSA-N -1 1 346.282 3.218 20 10 EGCDMM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)c1 ZINC000811692134 1318228891 /nfs/dbraw/zinc/22/88/91/1318228891.db2.gz VKFIOXUEFDPHAQ-UHFFFAOYSA-N -1 1 341.816 3.301 20 10 EGCDMM COCc1ccccc1/C=C(C)/C=C1\C(=O)[N-]N(c2ccccc2)C1=O ZINC000814187830 1318693270 /nfs/dbraw/zinc/69/32/70/1318693270.db2.gz BUHUOYPZKZWBRN-CAOIWOLBSA-N -1 1 348.402 3.241 20 10 EGCDMM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1c([O-])c(O)ccc1F ZINC000825948343 1320373660 /nfs/dbraw/zinc/37/36/60/1320373660.db2.gz BYXQEJRCBONBSZ-CMPLNLGQSA-N -1 1 333.334 3.394 20 10 EGCDMM Cc1ccccc1C[C@@H](C)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000859785801 1329077033 /nfs/dbraw/zinc/07/70/33/1329077033.db2.gz URRCKWLDPCZXTF-CYBMUJFWSA-N -1 1 328.364 3.011 20 10 EGCDMM CC(C)(C)[C@@H](CC(=O)[O-])[NH2+]Cc1c([O-])cccc1Br ZINC000864510084 1329620115 /nfs/dbraw/zinc/62/01/15/1329620115.db2.gz RPEXDDCURQKXOT-GFCCVEGCSA-N -1 1 330.222 3.134 20 10 EGCDMM C[C@]1(C(=O)[O-])CCCC[C@@H]1[NH2+]Cc1c([O-])cccc1Br ZINC000864510019 1329620353 /nfs/dbraw/zinc/62/03/53/1329620353.db2.gz UNYIJBAAULTWFY-ZFWWWQNUSA-N -1 1 342.233 3.278 20 10 EGCDMM Cc1ccc(Cl)c(NC(=O)NCC(=O)c2ccc([O-])c(O)c2)c1 ZINC001191723459 1367570421 /nfs/dbraw/zinc/57/04/21/1367570421.db2.gz TWYDNQWKGUNLSD-UHFFFAOYSA-N -1 1 334.759 3.064 20 10 EGCDMM COc1cc2[nH]ccc2c(NC(=O)c2ccc(O)c([O-])c2Cl)c1 ZINC001193230606 1367972866 /nfs/dbraw/zinc/97/28/66/1367972866.db2.gz XPDVOTDBVKKQDJ-UHFFFAOYSA-N -1 1 332.743 3.493 20 10 EGCDMM Cc1ncc(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)cc1N ZINC001210289980 1372315494 /nfs/dbraw/zinc/31/54/94/1372315494.db2.gz CTAMNLBWRNGTBV-UHFFFAOYSA-N -1 1 345.358 3.197 20 10 EGCDMM O=C([O-])c1ccc(CN2CCn3cccc3[C@@H]2c2ccccc2)c(O)c1 ZINC001231447430 1376243046 /nfs/dbraw/zinc/24/30/46/1376243046.db2.gz TUOCAPIZTPOHTH-FQEVSTJZSA-N -1 1 348.402 3.497 20 10 EGCDMM CN(C(=O)OC(C)(C)C)[C@@H]1CCN1Cc1cc(Cl)c([O-])cc1O ZINC001232262312 1376426157 /nfs/dbraw/zinc/42/61/57/1376426157.db2.gz BQEJYERSEQUJBL-AWEZNQCLSA-N -1 1 342.823 3.150 20 10 EGCDMM CCOC(=O)c1coc2c1CN(Cc1cc(Cl)c([O-])cc1O)C2 ZINC001232262745 1376426368 /nfs/dbraw/zinc/42/63/68/1376426368.db2.gz OKGLDPNVTXOHAR-UHFFFAOYSA-N -1 1 337.759 3.037 20 10 EGCDMM CCc1ccc(-c2ccc(NCC(=O)c3ccc([O-])c(O)c3)nn2)cc1 ZINC001159280587 1381750298 /nfs/dbraw/zinc/75/02/98/1381750298.db2.gz YUPPLOMUTOOZGI-UHFFFAOYSA-N -1 1 349.390 3.412 20 10 EGCDMM Cc1cc(Cl)c(NCC(=O)c2ccc([O-])c(O)c2)c([N+](=O)[O-])c1 ZINC001170321164 1384290739 /nfs/dbraw/zinc/29/07/39/1384290739.db2.gz WDPRZTBCRJXMHT-UHFFFAOYSA-N -1 1 336.731 3.263 20 10 EGCDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(N3CCCCC3)c2)cc1N ZINC001174303699 1385095396 /nfs/dbraw/zinc/09/53/96/1385095396.db2.gz WSELLFIFIQILMZ-UHFFFAOYSA-N -1 1 345.468 3.368 20 10 EGCDMM O=C1c2ccccc2C(=O)c2cc(Nc3cccc(CO)c3)c([O-])cc21 ZINC001175513552 1385317302 /nfs/dbraw/zinc/31/73/02/1385317302.db2.gz WXDBMGIONGRKJQ-UHFFFAOYSA-N -1 1 345.354 3.404 20 10 EGCDMM Cc1nc2ccc(S(=O)(=O)[N-]c3ccc(O)c(Cl)c3)cc2o1 ZINC001338808889 1389774211 /nfs/dbraw/zinc/77/42/11/1389774211.db2.gz VKHVUDLREIFGOJ-UHFFFAOYSA-N -1 1 338.772 3.296 20 10 EGCDMM O=C([O-])c1cccc(C(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC001602433105 971194825 /nfs/dbraw/zinc/19/48/25/971194825.db2.gz IQOLLHDQGRYMJJ-UHFFFAOYSA-N -1 1 340.162 3.327 20 10 EGCDMM COc1nc(NCc2cc(Cl)cc(Cl)c2O)ccc1C(=O)[O-] ZINC001599731949 991721575 /nfs/dbraw/zinc/72/15/75/991721575.db2.gz NKBJRJDIIBQPNP-UHFFFAOYSA-N -1 1 343.166 3.413 20 10 EGCDMM CC[C@@H]1c2ccsc2CCN1C(=O)CN(C)Cc1ccccc1O ZINC000111235888 454859367 /nfs/dbraw/zinc/85/93/67/454859367.db2.gz JOHGAJHZDYQBLL-MRXNPFEDSA-N -1 1 344.480 3.422 20 10 EGCDMM [O-]c1c(Cl)cccc1CNc1ccccc1CN1CCOCC1 ZINC000271809059 455768630 /nfs/dbraw/zinc/76/86/30/455768630.db2.gz IYOSSRPMANBOKC-UHFFFAOYSA-N -1 1 332.831 3.490 20 10 EGCDMM CC(C)(C)c1cnc(SCc2ccnc(-c3nnn[n-]3)c2)s1 ZINC000824135421 607551197 /nfs/dbraw/zinc/55/11/97/607551197.db2.gz FEVLQYXUQFVLMI-UHFFFAOYSA-N -1 1 332.458 3.308 20 10 EGCDMM CC(C)(C)c1cnc(SCc2ccnc(-c3nn[n-]n3)c2)s1 ZINC000824135421 607551198 /nfs/dbraw/zinc/55/11/98/607551198.db2.gz FEVLQYXUQFVLMI-UHFFFAOYSA-N -1 1 332.458 3.308 20 10 EGCDMM Cc1ccc(C2(C(=O)OCC(=O)c3ccc([O-])c(O)c3)CCC2)cc1 ZINC000830333753 1292706925 /nfs/dbraw/zinc/70/69/25/1292706925.db2.gz IANCKBKCDAYAEW-UHFFFAOYSA-N -1 1 340.375 3.254 20 10 EGCDMM Cc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C)c(C)c1O ZINC000194663698 1295999028 /nfs/dbraw/zinc/99/90/28/1295999028.db2.gz YYJOVRGHPOKJKG-UHFFFAOYSA-N -1 1 336.369 3.026 20 10 EGCDMM Cc1nn(-c2ccc(F)cc2)c(C)c1C=C1SC(=S)[N-]C1=O ZINC000213474281 1296110754 /nfs/dbraw/zinc/11/07/54/1296110754.db2.gz AXGRMYSSQWOXNF-NTUHNPAUSA-N -1 1 333.413 3.117 20 10 EGCDMM CC1(C)C(C(=O)NCc2cccc(Br)c2[O-])C1(C)C ZINC000765735654 1302314236 /nfs/dbraw/zinc/31/42/36/1302314236.db2.gz IGMDZOZLRUEUSZ-UHFFFAOYSA-N -1 1 326.234 3.453 20 10 EGCDMM O=C(NCc1cccc(Br)c1[O-])c1ccnc(Cl)c1 ZINC000765753012 1302319343 /nfs/dbraw/zinc/31/93/43/1302319343.db2.gz LWYFSARMPUAHDM-UHFFFAOYSA-N -1 1 341.592 3.133 20 10 EGCDMM Cc1ccsc1C(=O)NCc1cccc(Br)c1[O-] ZINC000765730553 1302314911 /nfs/dbraw/zinc/31/49/11/1302314911.db2.gz CYRGVMPNNYXYJX-UHFFFAOYSA-N -1 1 326.215 3.455 20 10 EGCDMM Cc1cc(Br)c([O-])c(CN2CCO[C@H](C(C)C)C2)c1 ZINC000781920479 1304891439 /nfs/dbraw/zinc/89/14/39/1304891439.db2.gz KMHSWOSIMLKJBS-AWEZNQCLSA-N -1 1 328.250 3.320 20 10 EGCDMM CCc1ccc([C@H](C)C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC000783437860 1305092151 /nfs/dbraw/zinc/09/21/51/1305092151.db2.gz OXRMCTXHEGGGOT-LBPRGKRZSA-N -1 1 328.364 3.190 20 10 EGCDMM CC(C)(C(=O)OCC(=O)c1ccc([O-])c(O)c1)c1ccccc1Cl ZINC000783472800 1305096264 /nfs/dbraw/zinc/09/62/64/1305096264.db2.gz LIRVZCFOYIMPCV-UHFFFAOYSA-N -1 1 348.782 3.455 20 10 EGCDMM O=C(COC(=O)[C@@H]1CCSc2ccccc21)c1ccc([O-])c(O)c1 ZINC000783899547 1305159536 /nfs/dbraw/zinc/15/95/36/1305159536.db2.gz NBQPFRKTVHIHGK-CYBMUJFWSA-N -1 1 344.388 3.103 20 10 EGCDMM O=C(COC(=O)c1cncc(-c2ccccc2)c1)c1ccc([O-])c(O)c1 ZINC000784122508 1305193527 /nfs/dbraw/zinc/19/35/27/1305193527.db2.gz NYMQLPZOXYDTJD-UHFFFAOYSA-N -1 1 349.342 3.200 20 10 EGCDMM O=C(NCCCn1ccc2ccccc21)c1c(F)ccc(O)c1[O-] ZINC000789944186 1306234536 /nfs/dbraw/zinc/23/45/36/1306234536.db2.gz MULZPLAMJZGNNX-UHFFFAOYSA-N -1 1 328.343 3.012 20 10 EGCDMM CSc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2ncccc2c1 ZINC000792703247 1309212394 /nfs/dbraw/zinc/21/23/94/1309212394.db2.gz RHKRROJMMQMLDW-UHFFFAOYSA-N -1 1 346.433 3.463 20 10 EGCDMM [O-]c1ccc(Cl)c(F)c1CNc1cn(Cc2ccccc2)nn1 ZINC000795805498 1309839372 /nfs/dbraw/zinc/83/93/72/1309839372.db2.gz HJQWTNGWOQIULG-UHFFFAOYSA-N -1 1 332.766 3.437 20 10 EGCDMM O=C(NCc1cccc(Br)c1[O-])NCC1=CCCCC1 ZINC000836521122 1320499031 /nfs/dbraw/zinc/49/90/31/1320499031.db2.gz UATWCDRKCXZXFV-UHFFFAOYSA-N -1 1 339.233 3.454 20 10 EGCDMM CCC[C@@H](C(=O)OCC(=O)c1ccc([O-])c(O)c1)c1ccccc1 ZINC000916594059 1319681482 /nfs/dbraw/zinc/68/14/82/1319681482.db2.gz MHLGPXLIVFVHGR-OAHLLOKOSA-N -1 1 328.364 3.408 20 10 EGCDMM COC(=O)c1cnc([C@H](C)NCc2cccc(Cl)c2[O-])s1 ZINC000822497581 1320089930 /nfs/dbraw/zinc/08/99/30/1320089930.db2.gz GNUOHBBBTTZTRP-QMMMGPOBSA-N -1 1 326.805 3.140 20 10 EGCDMM COC[C@H]1CCCCN1Cc1c([O-])cc(Br)cc1F ZINC001233028939 1376557403 /nfs/dbraw/zinc/55/74/03/1376557403.db2.gz WGCSHMDDUOKMFI-LLVKDONJSA-N -1 1 332.213 3.295 20 10 EGCDMM O=C(Nc1cccc2c(=O)[nH]ccc12)c1ccc(O)c([O-])c1Cl ZINC001193230342 1367972583 /nfs/dbraw/zinc/97/25/83/1367972583.db2.gz SXWOVJGINOYNPW-UHFFFAOYSA-N -1 1 330.727 3.257 20 10 EGCDMM C[C@H](NC(=O)c1ccc(O)c([O-])c1Cl)c1nc2ccccc2[nH]1 ZINC001193237194 1367975288 /nfs/dbraw/zinc/97/52/88/1367975288.db2.gz ZXOPHTFRTIBRGX-QMMMGPOBSA-N -1 1 331.759 3.119 20 10 EGCDMM O=C(N[C@@H](c1cncc(F)c1)C1CC1)c1ccc(O)c([O-])c1Cl ZINC001193246807 1367980069 /nfs/dbraw/zinc/98/00/69/1367980069.db2.gz CAXPMHDABMHOCP-CQSZACIVSA-N -1 1 336.750 3.166 20 10 EGCDMM O=C([N-]c1c2nonc2ccc1Cl)c1ccoc1Br ZINC001325344400 1387942666 /nfs/dbraw/zinc/94/26/66/1387942666.db2.gz CMHDCBFKYWAYLZ-UHFFFAOYSA-N -1 1 342.536 3.484 20 10 EGCDMM O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc([O-])cc(OC3CCC3)c21 ZINC001228194364 1375526461 /nfs/dbraw/zinc/52/64/61/1375526461.db2.gz PZJFOVKQLHCOPC-INIZCTEOSA-N -1 1 342.347 3.441 20 10 EGCDMM CCOC[C@H]1CN(Cc2cccc(Cl)c2[O-])Cc2cn(CC)nc21 ZINC001231911123 1376346178 /nfs/dbraw/zinc/34/61/78/1376346178.db2.gz CDJZJUDTMVDJDA-OAHLLOKOSA-N -1 1 349.862 3.398 20 10 EGCDMM [O-]c1ccc(F)c(F)c1CN1CCN(Cc2ccccc2F)CC1 ZINC001233334674 1376619562 /nfs/dbraw/zinc/61/95/62/1376619562.db2.gz PLFFDQGTUOQZHJ-UHFFFAOYSA-N -1 1 336.357 3.127 20 10 EGCDMM CC(C)(C)OC(=O)NCCC1CN(Cc2c(F)ccc(F)c2[O-])C1 ZINC001139685946 1377935006 /nfs/dbraw/zinc/93/50/06/1377935006.db2.gz GZCLWQDCGVMSOU-UHFFFAOYSA-N -1 1 342.386 3.017 20 10 EGCDMM CCOc1ccc(N2CCN(Cc3ccc([O-])c(F)c3F)CC2)cc1 ZINC001140892735 1378173146 /nfs/dbraw/zinc/17/31/46/1378173146.db2.gz YPIKVGJLOKNIEN-UHFFFAOYSA-N -1 1 348.393 3.391 20 10 EGCDMM CN(C)c1ccc(CNc2c(Cl)cccc2-c2nnn[n-]2)cc1F ZINC000821589584 1443477329 /nfs/dbraw/zinc/47/73/29/1443477329.db2.gz UQTMKRLWBRLNII-UHFFFAOYSA-N -1 1 346.797 3.337 20 10 EGCDMM Cc1ccc(O)c(CNc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)c1 ZINC000826291640 1443901340 /nfs/dbraw/zinc/90/13/40/1443901340.db2.gz OQLRQCHGACDZAX-UHFFFAOYSA-N -1 1 339.399 3.280 20 10 EGCDMM Cc1cc(Br)cc(C[N@@H+]2CC[C@@H](C)[C@@H](C(=O)[O-])C2)c1O ZINC000843039635 955619921 /nfs/dbraw/zinc/61/99/21/955619921.db2.gz DEKSYBLIVFITAW-RNCFNFMXSA-N -1 1 342.233 3.006 20 10 EGCDMM O=C([O-])CCC1CC[NH+](Cc2cc(Br)ccc2[O-])CC1 ZINC000236418203 960568821 /nfs/dbraw/zinc/56/88/21/960568821.db2.gz JTSCGCHFXRSNGE-UHFFFAOYSA-N -1 1 342.233 3.232 20 10 EGCDMM CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@H]32)c1[O-] ZINC000849346390 979497742 /nfs/dbraw/zinc/49/77/42/979497742.db2.gz RJWUBUWYEKTWAF-HLLBOEOZSA-N -1 1 349.402 3.199 20 10 EGCDMM CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@H]32)c1[O-] ZINC000849346390 979497747 /nfs/dbraw/zinc/49/77/47/979497747.db2.gz RJWUBUWYEKTWAF-HLLBOEOZSA-N -1 1 349.402 3.199 20 10 EGCDMM CCCc1cc(C(=O)NCc2cccc(Br)c2[O-])no1 ZINC000296625638 455992982 /nfs/dbraw/zinc/99/29/82/455992982.db2.gz HLIZEXADKDQMQJ-UHFFFAOYSA-N -1 1 339.189 3.025 20 10 EGCDMM O=C(CSc1ncccc1Br)c1ccc([O-])c(O)c1 ZINC000079445926 1292560493 /nfs/dbraw/zinc/56/04/93/1292560493.db2.gz JIOXAEOFIHITKK-UHFFFAOYSA-N -1 1 340.198 3.230 20 10 EGCDMM O=C(N[C@H]1CC[C@@H](c2cccc(F)c2)C1)c1c([O-])c(O)ccc1F ZINC000831010014 1292798449 /nfs/dbraw/zinc/79/84/49/1292798449.db2.gz NRGDGRZMTACFJM-YPMHNXCESA-N -1 1 333.334 3.442 20 10 EGCDMM Cc1nc(-c2ccc(S(=O)(=O)[N-]c3ccc(O)c(C)c3)cc2)co1 ZINC000182477577 1295051453 /nfs/dbraw/zinc/05/14/53/1295051453.db2.gz XSMWCIBOQCLDID-UHFFFAOYSA-N -1 1 344.392 3.465 20 10 EGCDMM COC1CCN(Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000708139264 1298236989 /nfs/dbraw/zinc/23/69/89/1298236989.db2.gz GVMGJDPOKOMWTC-UHFFFAOYSA-N -1 1 334.641 3.419 20 10 EGCDMM C[C@@H]1CN(Cc2cc(Cl)cc(Br)c2[O-])CCCO1 ZINC000708139819 1298238146 /nfs/dbraw/zinc/23/81/46/1298238146.db2.gz IZMSZZWGVHGIEH-SECBINFHSA-N -1 1 334.641 3.419 20 10 EGCDMM Cc1nnc([C@@H](C)NCc2cc(Cl)cc(Br)c2[O-])[nH]1 ZINC000708197450 1298238245 /nfs/dbraw/zinc/23/82/45/1298238245.db2.gz RRZKFLZCSNCEDT-ZCFIWIBFSA-N -1 1 345.628 3.085 20 10 EGCDMM CC(=O)c1cc(Cl)cc(CN2CCO[C@@H](C(F)(F)F)C2)c1[O-] ZINC000750047202 1299330874 /nfs/dbraw/zinc/33/08/74/1299330874.db2.gz KBESLJCSYJLBMJ-GFCCVEGCSA-N -1 1 337.725 3.011 20 10 EGCDMM C[C@@H](Nc1ccc(OCCC(N)=O)cc1)c1cc(F)cc(F)c1[O-] ZINC000756816162 1300571105 /nfs/dbraw/zinc/57/11/05/1300571105.db2.gz ZQPSGUMDKBTCHZ-SNVBAGLBSA-N -1 1 336.338 3.098 20 10 EGCDMM C[C@@H](NC(=O)NCc1cccc(Br)c1[O-])C1CCC1 ZINC000764798251 1302138149 /nfs/dbraw/zinc/13/81/49/1302138149.db2.gz BTBSEGWNQIXUBF-SECBINFHSA-N -1 1 327.222 3.143 20 10 EGCDMM COC[C@@H](NCc1cc(Br)cc(F)c1[O-])c1ccco1 ZINC000883026949 1302211804 /nfs/dbraw/zinc/21/18/04/1302211804.db2.gz KPGWWIGKYFFILA-GFCCVEGCSA-N -1 1 344.180 3.364 20 10 EGCDMM Cc1ccc([C@H](C)C(=O)NCc2cccc(Br)c2[O-])o1 ZINC000765727256 1302315373 /nfs/dbraw/zinc/31/53/73/1302315373.db2.gz LCBOVOKZOXLJMJ-JTQLQIEISA-N -1 1 338.201 3.476 20 10 EGCDMM Cc1ccncc1/C=C\C(=O)NCc1cccc(Br)c1[O-] ZINC000765729277 1302315765 /nfs/dbraw/zinc/31/57/65/1302315765.db2.gz ZYAQSFRXECSEHR-WAYWQWQTSA-N -1 1 347.212 3.188 20 10 EGCDMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(C)=O)c(C)c1 ZINC000766046950 1302377440 /nfs/dbraw/zinc/37/74/40/1302377440.db2.gz GUAVOWKNFTVAAE-UHFFFAOYSA-N -1 1 349.408 3.103 20 10 EGCDMM COC(=O)[C@@H]1C[C@@H](C)CCN1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000775808431 1304043523 /nfs/dbraw/zinc/04/35/23/1304043523.db2.gz ZZZHHTKFTQFNFU-BONVTDFDSA-N -1 1 339.819 3.022 20 10 EGCDMM Cc1[nH]c2c(cccc2C(=O)OCC(=O)c2ccc([O-])c(O)c2)c1C ZINC000782676410 1305003080 /nfs/dbraw/zinc/00/30/80/1305003080.db2.gz JDVBUPNCLKIIJP-UHFFFAOYSA-N -1 1 339.347 3.236 20 10 EGCDMM COc1cccc([C@H](C)CC(=O)OCC(=O)c2ccc([O-])c(O)c2)c1 ZINC000784065329 1305184761 /nfs/dbraw/zinc/18/47/61/1305184761.db2.gz IDXGUMRBHFVYEA-GFCCVEGCSA-N -1 1 344.363 3.026 20 10 EGCDMM [O-]c1ccc(Cl)c(F)c1CNc1cnc(Br)cn1 ZINC000787788868 1305794024 /nfs/dbraw/zinc/79/40/24/1305794024.db2.gz VGSANJKAXBCRGO-UHFFFAOYSA-N -1 1 332.560 3.349 20 10 EGCDMM C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])CC[C@@H]1O ZINC000894498288 1308922905 /nfs/dbraw/zinc/92/29/05/1308922905.db2.gz VXUCMIUPKRYBGR-PELKAZGASA-N -1 1 334.641 3.011 20 10 EGCDMM [O-]c1c(Br)cc(Cl)cc1CN1CC([C@H]2CCOC2)C1 ZINC000894604245 1308975179 /nfs/dbraw/zinc/97/51/79/1308975179.db2.gz KULQXGQVJYLPKF-VIFPVBQESA-N -1 1 346.652 3.276 20 10 EGCDMM COc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2SC)c(C)c1 ZINC000792703472 1309212230 /nfs/dbraw/zinc/21/22/30/1309212230.db2.gz XTXFUZULGOGRPS-UHFFFAOYSA-N -1 1 339.438 3.232 20 10 EGCDMM CC(=O)c1cc(Cl)cc(C[N@H+]2CCCC[C@H]2CCC(=O)[O-])c1[O-] ZINC000818329102 1319527756 /nfs/dbraw/zinc/52/77/56/1319527756.db2.gz NOTWITHWPIQJSK-AWEZNQCLSA-N -1 1 339.819 3.468 20 10 EGCDMM CCn1nc(C)c(CN[C@@H](C)c2ccc(Cl)c(Cl)c2[O-])n1 ZINC000818347206 1319533234 /nfs/dbraw/zinc/53/32/34/1319533234.db2.gz YILPEJUXPDUQPF-QMMMGPOBSA-N -1 1 329.231 3.470 20 10 EGCDMM CC(C)COc1ccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC000916591598 1319679752 /nfs/dbraw/zinc/67/97/52/1319679752.db2.gz XIQYRMIJHXRIOW-UHFFFAOYSA-N -1 1 344.363 3.172 20 10 EGCDMM O=C(c1c([O-])c(O)ccc1F)N1CCC(c2ccc(F)cc2)CC1 ZINC000826746463 1320400996 /nfs/dbraw/zinc/40/09/96/1320400996.db2.gz BZQGTEXZNAFEDH-UHFFFAOYSA-N -1 1 333.334 3.396 20 10 EGCDMM O=S(=O)([N-]c1ccc(O)cc1)c1cc(F)cc(C(F)(F)F)c1 ZINC001189948696 1367137262 /nfs/dbraw/zinc/13/72/62/1367137262.db2.gz HTSRFECNEPRZLL-UHFFFAOYSA-N -1 1 335.278 3.351 20 10 EGCDMM Cc1nc2sccc2c(NC(=O)c2ccc(O)c([O-])c2Cl)n1 ZINC001193208909 1367966160 /nfs/dbraw/zinc/96/61/60/1367966160.db2.gz AZFGYBYXWUSWQY-UHFFFAOYSA-N -1 1 335.772 3.317 20 10 EGCDMM O=C(Nc1cncc(OC(F)(F)F)c1)c1ccc(O)c([O-])c1Cl ZINC001193219364 1367969577 /nfs/dbraw/zinc/96/95/77/1367969577.db2.gz GOHLTDVXPJLTNJ-UHFFFAOYSA-N -1 1 348.664 3.297 20 10 EGCDMM CC(C)(CNC(=O)c1ccc(O)c([O-])c1Cl)CC(F)(F)F ZINC001193246861 1367980053 /nfs/dbraw/zinc/98/00/53/1367980053.db2.gz DFDMGGDASZWPKK-UHFFFAOYSA-N -1 1 325.714 3.460 20 10 EGCDMM CC(C)(C)OC(=O)NCCC1CN(Cc2ccc(F)c(F)c2[O-])C1 ZINC001233078288 1376565181 /nfs/dbraw/zinc/56/51/81/1376565181.db2.gz PLNHSXHNGNKZFJ-UHFFFAOYSA-N -1 1 342.386 3.017 20 10 EGCDMM CCOC(=O)c1cc2c(s1)CCN(Cc1cccc(F)c1[O-])C2 ZINC001138127906 1377681931 /nfs/dbraw/zinc/68/19/31/1377681931.db2.gz VARBEEPRUVPVLV-UHFFFAOYSA-N -1 1 335.400 3.328 20 10 EGCDMM [O-]c1cc(Cl)ccc1CN1CCn2cc(C(F)(F)F)nc2C1 ZINC001140467299 1378068857 /nfs/dbraw/zinc/06/88/57/1378068857.db2.gz VGZARYVLPOXOLM-UHFFFAOYSA-N -1 1 331.725 3.277 20 10 EGCDMM C[C@@H]1CN(Cc2cc(Cl)cc(Br)c2[O-])CC[C@@]1(C)O ZINC001141367774 1378311524 /nfs/dbraw/zinc/31/15/24/1378311524.db2.gz PNKOTILHLBWJRS-YMTOWFKASA-N -1 1 348.668 3.401 20 10 EGCDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(F)(F)F)cc1N ZINC001176339250 1385556064 /nfs/dbraw/zinc/55/60/64/1385556064.db2.gz TXCZLQOULWWYOU-UHFFFAOYSA-N -1 1 346.330 3.102 20 10 EGCDMM CCN(CC)c1ccc(CNc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000736532445 1430170663 /nfs/dbraw/zinc/17/06/63/1430170663.db2.gz RZHWEUKPXRJIHE-UHFFFAOYSA-N -1 1 340.406 3.464 20 10 EGCDMM CCN(Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(OC)cc1 ZINC000821221012 1441866860 /nfs/dbraw/zinc/86/68/60/1441866860.db2.gz HLKDFTVNYDJORE-UHFFFAOYSA-N -1 1 327.363 3.041 20 10 EGCDMM C[C@@H](C[N@@H+](Cc1ccccc1)Cc1ccc(F)c(F)c1[O-])C(=O)[O-] ZINC001592604638 978545410 /nfs/dbraw/zinc/54/54/10/978545410.db2.gz JVFKOJKEEXFDAJ-LBPRGKRZSA-N -1 1 335.350 3.393 20 10 EGCDMM CCCCC[C@H]([NH2+]Cc1ccc(Br)cc1[O-])C(=O)[O-] ZINC001595683189 982169641 /nfs/dbraw/zinc/16/96/41/982169641.db2.gz MAMXLMKJPYUTQY-LBPRGKRZSA-N -1 1 330.222 3.278 20 10 EGCDMM C[C@@H](NCc1nc2c(s1)CCCC2)c1cc(C(=O)[O-])ccc1O ZINC001593312262 994797895 /nfs/dbraw/zinc/79/78/95/994797895.db2.gz RTPIFDAKEVRTTD-SNVBAGLBSA-N -1 1 332.425 3.277 20 10 EGCDMM C[C@H](Oc1ccc(C[NH2+]Cc2cc(Cl)ccc2[O-])cc1)C(=O)[O-] ZINC001593618419 995857902 /nfs/dbraw/zinc/85/79/02/995857902.db2.gz XECUNMZEXGXSSS-NSHDSACASA-N -1 1 335.787 3.187 20 10 EGCDMM CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cncc([O-])c1 ZINC000109042890 454820398 /nfs/dbraw/zinc/82/03/98/454820398.db2.gz VQHYUEIEWXUGMK-UHFFFAOYSA-N -1 1 325.412 3.050 20 10 EGCDMM C[C@@H](C(=O)NCc1ccccc1Cl)N(C)Cc1ccccc1O ZINC000111236488 454858946 /nfs/dbraw/zinc/85/89/46/454858946.db2.gz NXPCXEZFBRZNRD-ZDUSSCGKSA-N -1 1 332.831 3.182 20 10 EGCDMM COc1c([O-])c(C[N@H+](C)[C@@H](C)c2cccc(O)c2)ccc1[N+](=O)[O-] ZINC000278221191 455789852 /nfs/dbraw/zinc/78/98/52/455789852.db2.gz LNWNXQNIIMFDAJ-NSHDSACASA-N -1 1 332.356 3.208 20 10 EGCDMM COCCN(Cc1ccccn1)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000287558473 456072007 /nfs/dbraw/zinc/07/20/07/456072007.db2.gz WTTSNVWVUFSOJO-UHFFFAOYSA-N -1 1 348.830 3.292 20 10 EGCDMM O=C([O-])C[C@@H](NCc1ccc2c(c1)CCO2)c1ccc(F)cc1F ZINC000277363127 456796729 /nfs/dbraw/zinc/79/67/29/456796729.db2.gz PZERKIQWAOVQCQ-MRXNPFEDSA-N -1 1 333.334 3.205 20 10 EGCDMM COc1ccc2ccc(O)c(C[N@@H+](C[C@@H](C)C(=O)[O-])C3CC3)c2c1 ZINC000738079788 574666697 /nfs/dbraw/zinc/66/66/97/574666697.db2.gz SELQFTZASRNWEZ-GFCCVEGCSA-N -1 1 329.396 3.239 20 10 EGCDMM CC(=O)c1cc(Cl)cc(C[NH2+]C2(C(=O)[O-])CCCCC2)c1[O-] ZINC000825946721 601417735 /nfs/dbraw/zinc/41/77/35/601417735.db2.gz NNBXYELUDSKLST-UHFFFAOYSA-N -1 1 325.792 3.125 20 10 EGCDMM CCC1CCC([NH2+]Cc2cc(F)cc(C(C)=O)c2[O-])(C(=O)[O-])CC1 ZINC000829107458 601495413 /nfs/dbraw/zinc/49/54/13/601495413.db2.gz LFZVCMBSQYRMNA-UHFFFAOYSA-N -1 1 337.391 3.247 20 10 EGCDMM O=C([O-])[C@H]1CC[C@H](C[NH2+]Cc2c([O-])cccc2Br)CC1 ZINC000706649205 1298223477 /nfs/dbraw/zinc/22/34/77/1298223477.db2.gz GNVDXPALKBJBJF-XYPYZODXSA-N -1 1 342.233 3.135 20 10 EGCDMM CCc1nnc(NCc2cc(Br)cc(F)c2[O-])s1 ZINC000715762555 1298285382 /nfs/dbraw/zinc/28/53/82/1298285382.db2.gz YAQQLDKTACFWRW-UHFFFAOYSA-N -1 1 332.198 3.320 20 10 EGCDMM Cc1cccc(C)c1OC[C@@H](C)NC(=O)c1c(F)ccc(O)c1[O-] ZINC000764438025 1302062198 /nfs/dbraw/zinc/06/21/98/1302062198.db2.gz NJQRQWGAIRCWBC-GFCCVEGCSA-N -1 1 333.359 3.051 20 10 EGCDMM Cc1csc(NC(=O)NCc2cccc(Br)c2[O-])n1 ZINC000765211438 1302221132 /nfs/dbraw/zinc/22/11/32/1302221132.db2.gz PDPRPOLOQIGWNW-UHFFFAOYSA-N -1 1 342.218 3.241 20 10 EGCDMM O=C(/C=C\c1cccc(O)c1)NCc1cccc(Br)c1[O-] ZINC000765729643 1302315101 /nfs/dbraw/zinc/31/51/01/1302315101.db2.gz QZOYEYRUMYOVDV-FPLPWBNLSA-N -1 1 348.196 3.190 20 10 EGCDMM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cccc(-c2cccnc2)c1 ZINC000768489941 1302917919 /nfs/dbraw/zinc/91/79/19/1302917919.db2.gz KQMLSAGRSGJQAH-UYRXBGFRSA-N -1 1 341.370 3.210 20 10 EGCDMM O=C(NCc1ccccc1OC1CCCC1)c1c(F)ccc(O)c1[O-] ZINC000789960189 1306237252 /nfs/dbraw/zinc/23/72/52/1306237252.db2.gz OBPYSNZZURBEDO-UHFFFAOYSA-N -1 1 345.370 3.488 20 10 EGCDMM O=C(NCc1cccc(Br)c1[O-])c1occ2c1CCC2 ZINC000803213694 1317091140 /nfs/dbraw/zinc/09/11/40/1317091140.db2.gz WBXWXHGDNGLQEN-UHFFFAOYSA-N -1 1 336.185 3.166 20 10 EGCDMM Cc1nnnn1-c1cccc(NCc2cc(Cl)c(F)cc2[O-])c1 ZINC000816525199 1319174897 /nfs/dbraw/zinc/17/48/97/1319174897.db2.gz JPABPFMFZTYDLK-UHFFFAOYSA-N -1 1 333.754 3.081 20 10 EGCDMM NC(=O)N1CCc2ccc(NCc3cc(Cl)c(F)cc3[O-])cc21 ZINC000816594110 1319190439 /nfs/dbraw/zinc/19/04/39/1319190439.db2.gz PSCVPXYOJWLPCN-UHFFFAOYSA-N -1 1 335.766 3.238 20 10 EGCDMM Cc1ccc2c(CC(=O)OCC(=O)c3ccc([O-])c(O)c3)coc2c1 ZINC000916594044 1319681310 /nfs/dbraw/zinc/68/13/10/1319681310.db2.gz LKMUCAJEIGKYPO-UHFFFAOYSA-N -1 1 340.331 3.121 20 10 EGCDMM O=C(Cc1cccc2ccccc21)OCC(=O)c1ccc([O-])c(O)c1 ZINC000916621220 1319686774 /nfs/dbraw/zinc/68/67/74/1319686774.db2.gz KYVKXQXGVYNQLR-UHFFFAOYSA-N -1 1 336.343 3.220 20 10 EGCDMM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1c([O-])c(O)ccc1F ZINC000825948345 1320373482 /nfs/dbraw/zinc/37/34/82/1320373482.db2.gz BYXQEJRCBONBSZ-PWSUYJOCSA-N -1 1 333.334 3.394 20 10 EGCDMM O=C(COC(=O)[C@@H]1CCC[C@H]1c1ccccc1)c1ccc([O-])c(O)c1 ZINC000837866847 1320697469 /nfs/dbraw/zinc/69/74/69/1320697469.db2.gz XQXDRKMWTCCVBA-JKSUJKDBSA-N -1 1 340.375 3.408 20 10 EGCDMM CC[C@H](C)CCNC(=O)NCc1cccc(Br)c1[O-] ZINC000852489620 1323197612 /nfs/dbraw/zinc/19/76/12/1323197612.db2.gz GMLXEPWTTXHLDN-JTQLQIEISA-N -1 1 329.238 3.390 20 10 EGCDMM CC[C@@H](NC(=O)NCc1cccc(Br)c1[O-])C1CC1 ZINC000852593112 1323212576 /nfs/dbraw/zinc/21/25/76/1323212576.db2.gz CRHZPGJNJXNRAO-GFCCVEGCSA-N -1 1 327.222 3.143 20 10 EGCDMM C[C@H](CC(C)(C)[NH2+]Cc1c([O-])cccc1Br)C(=O)[O-] ZINC000864514380 1329620831 /nfs/dbraw/zinc/62/08/31/1329620831.db2.gz SPBBHICKFAQVSU-SECBINFHSA-N -1 1 330.222 3.134 20 10 EGCDMM O=C([O-])CCCCCC[NH2+]Cc1c([O-])cccc1Br ZINC000864503901 1329619465 /nfs/dbraw/zinc/61/94/65/1329619465.db2.gz JQGSSSSJTRCVKZ-UHFFFAOYSA-N -1 1 330.222 3.279 20 10 EGCDMM [O-]c1ccc(Cl)c(F)c1CNc1nnc([C@H]2CCCO2)s1 ZINC000865296025 1329684501 /nfs/dbraw/zinc/68/45/01/1329684501.db2.gz QGNUZEDCPNHTKE-SNVBAGLBSA-N -1 1 329.784 3.500 20 10 EGCDMM N[C@]1(C(F)(F)F)CCN(Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001206245254 1371002042 /nfs/dbraw/zinc/00/20/42/1371002042.db2.gz SACXKNSFCGHEJW-LLVKDONJSA-N -1 1 329.149 3.165 20 10 EGCDMM Cc1cc(NC(=O)c2ccc(O)c([O-])c2Cl)cc2snnc21 ZINC001193230041 1367972309 /nfs/dbraw/zinc/97/23/09/1367972309.db2.gz PHQOBTHEJLLZQN-UHFFFAOYSA-N -1 1 335.772 3.317 20 10 EGCDMM [O-]c1c(Cl)cc(Cl)cc1CN1C[C@H](CO)[C@@H](C(F)(F)F)C1 ZINC001203573577 1370175333 /nfs/dbraw/zinc/17/53/33/1370175333.db2.gz DZTRXRAJECWOTM-SCZZXKLOSA-N -1 1 344.160 3.302 20 10 EGCDMM COC(=O)C[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001203582180 1370178832 /nfs/dbraw/zinc/17/88/32/1370178832.db2.gz VFYWIUACVDUNAA-JTQLQIEISA-N -1 1 332.227 3.474 20 10 EGCDMM O=S(=O)(CCc1cccc2ccccc21)[N-]c1cccc(O)c1O ZINC001187642624 1388135644 /nfs/dbraw/zinc/13/56/44/1388135644.db2.gz VERRBEHYZSFTBW-UHFFFAOYSA-N -1 1 343.404 3.235 20 10 EGCDMM COc1cccc(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)n1 ZINC001211300595 1372524482 /nfs/dbraw/zinc/52/44/82/1372524482.db2.gz HMDAKVQBNUALNZ-UHFFFAOYSA-N -1 1 346.342 3.315 20 10 EGCDMM COc1nccc(-c2noc(-c3ccc(O)c([O-])c3Cl)n2)c1F ZINC001216954350 1373370157 /nfs/dbraw/zinc/37/01/57/1373370157.db2.gz XAHIYZGTMKMZKB-UHFFFAOYSA-N -1 1 337.694 3.011 20 10 EGCDMM C[C@@H](Oc1c([O-])ccc2c1C(=O)c1ccccc1C2=O)c1cnccn1 ZINC001227578818 1375446555 /nfs/dbraw/zinc/44/65/55/1375446555.db2.gz YFDNEPCOLFXYHB-LLVKDONJSA-N -1 1 346.342 3.098 20 10 EGCDMM CCC(=O)[C@@H](CC)Oc1c([O-])ccc2c1C(=O)c1ccccc1C2=O ZINC001227580198 1375447361 /nfs/dbraw/zinc/44/73/61/1375447361.db2.gz JJDZPIGCLLGCKY-MRXNPFEDSA-N -1 1 338.359 3.304 20 10 EGCDMM O=C1c2ccccc2C(=O)c2c(OC3CC(F)(F)C3)cc([O-])c(O)c21 ZINC001229196559 1375785185 /nfs/dbraw/zinc/78/51/85/1375785185.db2.gz FLDKZZDGEMCWMH-UHFFFAOYSA-N -1 1 346.285 3.050 20 10 EGCDMM O=C([O-])c1ccc(CN2CCn3cccc3[C@H]2c2ccccc2)c(O)c1 ZINC001231447431 1376244017 /nfs/dbraw/zinc/24/40/17/1376244017.db2.gz TUOCAPIZTPOHTH-HXUWFJFHSA-N -1 1 348.402 3.497 20 10 EGCDMM Cc1cc(Br)c([O-])c(CN2CCCC(=O)[C@H](C)C2)c1 ZINC001236662789 1376959832 /nfs/dbraw/zinc/95/98/32/1376959832.db2.gz HPVJTTMDUUJNSP-LLVKDONJSA-N -1 1 326.234 3.264 20 10 EGCDMM Cc1cccc(O[C@@H]2CCCN(Cc3c(F)ccc(F)c3[O-])C2)n1 ZINC001139690598 1377935165 /nfs/dbraw/zinc/93/51/65/1377935165.db2.gz YKAMKPRANWUYJI-CYBMUJFWSA-N -1 1 334.366 3.417 20 10 EGCDMM CCCc1noc(C2CCN(Cc3c([O-])cc(F)cc3F)CC2)n1 ZINC001140584585 1378090594 /nfs/dbraw/zinc/09/05/94/1378090594.db2.gz XSUCAFBXTJVMNJ-UHFFFAOYSA-N -1 1 337.370 3.386 20 10 EGCDMM CN(Cc1cnccn1)Cc1cc(Cl)cc(Br)c1[O-] ZINC001141372923 1378313196 /nfs/dbraw/zinc/31/31/96/1378313196.db2.gz DTVGMKGTIPMNCR-UHFFFAOYSA-N -1 1 342.624 3.230 20 10 EGCDMM CC(=O)[C@H]1CCCN(Cc2cc(Br)c(F)cc2[O-])C1 ZINC001144306572 1378714273 /nfs/dbraw/zinc/71/42/73/1378714273.db2.gz HLJRJUPUBHPYLA-JTQLQIEISA-N -1 1 330.197 3.095 20 10 EGCDMM COc1ccc(N2CCN(Cc3cc(F)c([O-])cc3F)CC2)c(C)c1 ZINC001144663979 1378757838 /nfs/dbraw/zinc/75/78/38/1378757838.db2.gz QJTLWPNJWULFRT-UHFFFAOYSA-N -1 1 348.393 3.310 20 10 EGCDMM CCC1(NC(=O)c2cc3cc(O)c([O-])cc3oc2=O)CCCCC1 ZINC001155234177 1380427676 /nfs/dbraw/zinc/42/76/76/1380427676.db2.gz LDPHACFRRSEOEZ-UHFFFAOYSA-N -1 1 331.368 3.047 20 10 EGCDMM O=C(CCCc1ccc(Cl)cc1)NCC(=O)c1ccc([O-])c(O)c1 ZINC001181878550 1387069603 /nfs/dbraw/zinc/06/96/03/1387069603.db2.gz VZYLAFCSAPVIGT-UHFFFAOYSA-N -1 1 347.798 3.073 20 10 EGCDMM CN(C)c1ccc(CNc2ccc(Cl)cc2-c2nnn[n-]2)cc1F ZINC000736780963 1441751493 /nfs/dbraw/zinc/75/14/93/1441751493.db2.gz SOSIDKFMXQRNMD-UHFFFAOYSA-N -1 1 346.797 3.337 20 10 EGCDMM COc1ccc(N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)cc1F ZINC000737098102 1446239427 /nfs/dbraw/zinc/23/94/27/1446239427.db2.gz BTCWIGDCVDVYKD-UHFFFAOYSA-N -1 1 341.390 3.429 20 10 EGCDMM C[C@@H](NC(=O)[C@H](C)N(C)Cc1ccccc1O)c1ccc(F)cc1 ZINC000109771293 454836075 /nfs/dbraw/zinc/83/60/75/454836075.db2.gz OHZUNJVENCOLDF-KGLIPLIRSA-N -1 1 330.403 3.229 20 10 EGCDMM C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1c(F)ccc(O)c1[O-] ZINC000295440837 455849780 /nfs/dbraw/zinc/84/97/80/455849780.db2.gz XFOGPDITEZJICM-JSGCOSHPSA-N -1 1 329.371 3.330 20 10 EGCDMM C[C@@H](OCCCNC(=O)c1c(F)ccc(O)c1[O-])c1ccccc1 ZINC000276574691 456519753 /nfs/dbraw/zinc/51/97/53/456519753.db2.gz LNSFYLGWTMPGBF-GFCCVEGCSA-N -1 1 333.359 3.135 20 10 EGCDMM O=C(NCc1cccc(Br)c1[O-])NCC1(C2CC2)CC1 ZINC000277502485 456846547 /nfs/dbraw/zinc/84/65/47/456846547.db2.gz RGJHYJODUXYHDH-UHFFFAOYSA-N -1 1 339.233 3.144 20 10 EGCDMM O=C([O-])C[N@H+](Cc1ccc(Cl)nc1)Cc1cc(Cl)ccc1[O-] ZINC000833249101 601007041 /nfs/dbraw/zinc/00/70/41/601007041.db2.gz BNTWHIWZRYGGSG-UHFFFAOYSA-N -1 1 341.194 3.181 20 10 EGCDMM O=C([O-])C[N@@H+](Cc1ccc(Cl)nc1)Cc1cc(Cl)ccc1[O-] ZINC000833249101 601007043 /nfs/dbraw/zinc/00/70/43/601007043.db2.gz BNTWHIWZRYGGSG-UHFFFAOYSA-N -1 1 341.194 3.181 20 10 EGCDMM C[C@@H]1C[N@H+](Cc2cc3oc4ccccc4c3cc2[O-])C[C@@H]1C(=O)[O-] ZINC000828455460 601818711 /nfs/dbraw/zinc/81/87/11/601818711.db2.gz CHVJQEFFPRLDHB-ABAIWWIYSA-N -1 1 325.364 3.444 20 10 EGCDMM C[C@@H]1C[N@@H+](Cc2cc3oc4ccccc4c3cc2[O-])C[C@@H]1C(=O)[O-] ZINC000828455460 601818713 /nfs/dbraw/zinc/81/87/13/601818713.db2.gz CHVJQEFFPRLDHB-ABAIWWIYSA-N -1 1 325.364 3.444 20 10 EGCDMM CCn1c2ccccc2nc1SCC(=O)c1ccc([O-])c(O)c1 ZINC000007153804 1291062288 /nfs/dbraw/zinc/06/22/88/1291062288.db2.gz WFRFREMQZZXAKC-UHFFFAOYSA-N -1 1 328.393 3.442 20 10 EGCDMM CC(C)n1ncc2cc(C=C3SC(=S)[N-]C3=O)c(Cl)nc21 ZINC000120785438 1293338650 /nfs/dbraw/zinc/33/86/50/1293338650.db2.gz NNQBQWUNNUYFCX-RUDMXATFSA-N -1 1 338.845 3.154 20 10 EGCDMM N#Cc1ccc(C(=O)N(Cc2ccco2)Cc2ccccc2O)cc1[O-] ZINC000188519148 1295464043 /nfs/dbraw/zinc/46/40/43/1295464043.db2.gz GDMFIGWAJJCOKZ-UHFFFAOYSA-N -1 1 348.358 3.405 20 10 EGCDMM CSc1cc(O)ccc1[N-]S(=O)(=O)c1cccc(F)c1C ZINC000192155739 1295737681 /nfs/dbraw/zinc/73/76/81/1295737681.db2.gz VRFWYMVZVCYYFG-UHFFFAOYSA-N -1 1 327.402 3.362 20 10 EGCDMM COc1cccc(-c2nc(C=C3SC(=S)[N-]C3=O)cs2)c1 ZINC000213142442 1296108661 /nfs/dbraw/zinc/10/86/61/1296108661.db2.gz RVXYRWWUXABDNN-IZZDOVSWSA-N -1 1 334.447 3.308 20 10 EGCDMM COC(C)(C)C[N@H+](C)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000758412701 1300876765 /nfs/dbraw/zinc/87/67/65/1300876765.db2.gz SUCHEQNDFGYNTP-UHFFFAOYSA-N -1 1 343.423 3.186 20 10 EGCDMM COC(C)(C)C[N@@H+](C)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000758412701 1300876786 /nfs/dbraw/zinc/87/67/86/1300876786.db2.gz SUCHEQNDFGYNTP-UHFFFAOYSA-N -1 1 343.423 3.186 20 10 EGCDMM Cc1ccnc(NCc2cccc(Br)c2[O-])c1[N+](=O)[O-] ZINC000764933099 1302169641 /nfs/dbraw/zinc/16/96/41/1302169641.db2.gz BWAUTFCESYEJDN-UHFFFAOYSA-N -1 1 338.161 3.378 20 10 EGCDMM Cc1cccnc1NC(=O)NCc1cccc(Br)c1[O-] ZINC000765341841 1302250342 /nfs/dbraw/zinc/25/03/42/1302250342.db2.gz IWIPMSRCMQRBIU-UHFFFAOYSA-N -1 1 336.189 3.180 20 10 EGCDMM COc1c([O-])c(C[NH2+]Cc2ccc([C@@H]3C[C@@H]3C)o2)ccc1[N+](=O)[O-] ZINC000774974975 1303884712 /nfs/dbraw/zinc/88/47/12/1303884712.db2.gz GPTQVDHYDYELKS-GXFFZTMASA-N -1 1 332.356 3.315 20 10 EGCDMM Cc1ccc(C[C@H](C)C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC000784586808 1305263155 /nfs/dbraw/zinc/26/31/55/1305263155.db2.gz RHUGFIXNPZZQEC-ZDUSSCGKSA-N -1 1 328.364 3.011 20 10 EGCDMM Cc1ccc(NCc2cccc(Cl)c2[O-])cc1N1CCNC1=O ZINC000787312641 1305731356 /nfs/dbraw/zinc/73/13/56/1305731356.db2.gz QDBHORWXICNTTI-UHFFFAOYSA-N -1 1 331.803 3.496 20 10 EGCDMM CSC1(C(=O)NCc2cccc(Br)c2[O-])CCC1 ZINC000787580982 1305760831 /nfs/dbraw/zinc/76/08/31/1305760831.db2.gz KLPCUAXZPHQINI-UHFFFAOYSA-N -1 1 330.247 3.057 20 10 EGCDMM [O-]c1c(Br)cccc1CN1C[C@@H](O)Cc2ccccc21 ZINC000789761942 1306212421 /nfs/dbraw/zinc/21/24/21/1306212421.db2.gz MYDSADFAHFODJK-ZDUSSCGKSA-N -1 1 334.213 3.078 20 10 EGCDMM C[C@@H](NC(=O)c1c(F)ccc(O)c1[O-])c1cccc(OC(F)F)c1 ZINC000789957267 1306237476 /nfs/dbraw/zinc/23/74/76/1306237476.db2.gz MMKHSBOVINDKCQ-MRVPVSSYSA-N -1 1 341.285 3.329 20 10 EGCDMM CCn1c2ccccc2nc1[C@H](C)NC(=O)c1c(F)ccc(O)c1[O-] ZINC000789972493 1306240646 /nfs/dbraw/zinc/24/06/46/1306240646.db2.gz HEHHKJQIYFADQC-JTQLQIEISA-N -1 1 343.358 3.098 20 10 EGCDMM O=C(Cc1cccc(C(F)F)c1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000790710545 1308854404 /nfs/dbraw/zinc/85/44/04/1308854404.db2.gz DWEKQAFXEDJXFS-UHFFFAOYSA-N -1 1 336.290 3.004 20 10 EGCDMM CCOC(=O)C(CC)(CC)NCc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000795733300 1309820966 /nfs/dbraw/zinc/82/09/66/1309820966.db2.gz LBSBKCDSZYYBLW-UHFFFAOYSA-N -1 1 341.835 3.460 20 10 EGCDMM O=C(COC(=O)c1cc(C2CC2)cnc1Cl)c1ccc([O-])c(O)c1 ZINC000796168813 1309926026 /nfs/dbraw/zinc/92/60/26/1309926026.db2.gz YDWUREKHYLTHGZ-UHFFFAOYSA-N -1 1 347.754 3.063 20 10 EGCDMM CC(F)(F)c1ccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC000796266610 1309947888 /nfs/dbraw/zinc/94/78/88/1309947888.db2.gz ITEKSFUUYCRJNJ-UHFFFAOYSA-N -1 1 336.290 3.249 20 10 EGCDMM COc1cc([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)ccc1O ZINC000797820099 1310252022 /nfs/dbraw/zinc/25/20/22/1310252022.db2.gz GIBFMSSVSVYKAG-UHFFFAOYSA-N -1 1 327.789 3.163 20 10 EGCDMM CC(=O)c1cc(F)cc(C[N@H+]2[C@H](C)C[C@H](C)[C@@H](C(=O)[O-])[C@@H]2C)c1[O-] ZINC000903949957 1317755044 /nfs/dbraw/zinc/75/50/44/1317755044.db2.gz OOBJUQVHRVHUJZ-QUIZZNFMSA-N -1 1 337.391 3.054 20 10 EGCDMM CC(=O)c1cc(F)cc(C[N@@H+]2[C@H](C)C[C@H](C)[C@@H](C(=O)[O-])[C@@H]2C)c1[O-] ZINC000903949957 1317755047 /nfs/dbraw/zinc/75/50/47/1317755047.db2.gz OOBJUQVHRVHUJZ-QUIZZNFMSA-N -1 1 337.391 3.054 20 10 EGCDMM C[C@H]1CN(Cc2cc(Cl)cc(F)c2[O-])c2ccccc2C(=O)N1 ZINC000811509673 1318188727 /nfs/dbraw/zinc/18/87/27/1318188727.db2.gz ZUBUCLZWEOBESX-JTQLQIEISA-N -1 1 334.778 3.323 20 10 EGCDMM COCC(=O)Nc1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1 ZINC000816524908 1319174927 /nfs/dbraw/zinc/17/49/27/1319174927.db2.gz WATGHWBEHFAWOG-UHFFFAOYSA-N -1 1 338.766 3.382 20 10 EGCDMM COc1cccc(OC)c1CN[C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850505669 1322258336 /nfs/dbraw/zinc/25/83/36/1322258336.db2.gz VICXELZGHIHOOA-LLVKDONJSA-N -1 1 332.356 3.168 20 10 EGCDMM [O-]c1cc(Br)cc(F)c1CN1CC[C@@]2(C1)CCCCO2 ZINC001233028152 1376557055 /nfs/dbraw/zinc/55/70/55/1376557055.db2.gz JESDBWKRVINIFW-OAHLLOKOSA-N -1 1 344.224 3.439 20 10 EGCDMM [O-]c1cc(Br)cc(F)c1CN1CCC[C@@]12CCOC2 ZINC001233029335 1376557444 /nfs/dbraw/zinc/55/74/44/1376557444.db2.gz CAXGNPJWGQRRQS-AWEZNQCLSA-N -1 1 330.197 3.049 20 10 EGCDMM O=C(N[C@H](c1ccccc1)C1(O)CCC1)c1ccc(O)c([O-])c1Cl ZINC001193246763 1367979332 /nfs/dbraw/zinc/97/93/32/1367979332.db2.gz AXRHHSYPMCAFGA-MRXNPFEDSA-N -1 1 347.798 3.137 20 10 EGCDMM Cc1cccc(Cl)c1S(=O)(=O)Nc1c(F)cc([O-])cc1F ZINC001195317300 1368420155 /nfs/dbraw/zinc/42/01/55/1368420155.db2.gz UAMPFBOMIZDYAA-UHFFFAOYSA-N -1 1 333.743 3.433 20 10 EGCDMM [O-]c1c(O)ccc(-c2nc(-c3ccc4c(c3)OCO4)no2)c1Cl ZINC001216952407 1373369876 /nfs/dbraw/zinc/36/98/76/1373369876.db2.gz YWLMGVQNVSEDRE-UHFFFAOYSA-N -1 1 332.699 3.197 20 10 EGCDMM C[C@H]1CC[C@@H](COc2c([O-])ccc3c2C(=O)c2ccccc2C3=O)O1 ZINC001227581165 1375447343 /nfs/dbraw/zinc/44/73/43/1375447343.db2.gz XXIPWEBAGJERRB-RYUDHWBXSA-N -1 1 338.359 3.114 20 10 EGCDMM O=C1c2ccccc2C(=O)c2c(O[C@H]3C=CCCC3)cc([O-])c(O)c21 ZINC001229196831 1375785257 /nfs/dbraw/zinc/78/52/57/1375785257.db2.gz IYEZCHWFNZXUEY-NSHDSACASA-N -1 1 336.343 3.361 20 10 EGCDMM COc1ccc(N2CCN(Cc3ccc(F)c(F)c3[O-])CC2)c(C)c1 ZINC001233079103 1376564964 /nfs/dbraw/zinc/56/49/64/1376564964.db2.gz VYPQMUAEWMSLDZ-UHFFFAOYSA-N -1 1 348.393 3.310 20 10 EGCDMM CN(C(=O)OC(C)(C)C)[C@H]1CCN1Cc1c([O-])ccc(F)c1F ZINC001233335814 1376619319 /nfs/dbraw/zinc/61/93/19/1376619319.db2.gz NAQANCAEJCABCU-CYBMUJFWSA-N -1 1 328.359 3.069 20 10 EGCDMM COCc1noc2c1CN(Cc1cccc(C(F)(F)F)c1[O-])CC2 ZINC001233416959 1376640927 /nfs/dbraw/zinc/64/09/27/1376640927.db2.gz CRUHVGIXDSEFER-UHFFFAOYSA-N -1 1 342.317 3.104 20 10 EGCDMM Cc1ccnc(O[C@@H]2CCCN(Cc3c(F)ccc(F)c3[O-])C2)c1 ZINC001139686543 1377934957 /nfs/dbraw/zinc/93/49/57/1377934957.db2.gz AHRHVBZDBAACAW-CYBMUJFWSA-N -1 1 334.366 3.417 20 10 EGCDMM CCN(CCN(C)C(=O)OC(C)(C)C)Cc1c([O-])cc(F)cc1F ZINC001140584294 1378090457 /nfs/dbraw/zinc/09/04/57/1378090457.db2.gz LYKKTVMIOQBVLW-UHFFFAOYSA-N -1 1 344.402 3.359 20 10 EGCDMM CN(C(=O)OC(C)(C)C)[C@H]1CCN1Cc1cc(F)c(F)cc1[O-] ZINC001142530453 1378454255 /nfs/dbraw/zinc/45/42/55/1378454255.db2.gz HMEMLHKFSHOZBX-CQSZACIVSA-N -1 1 328.359 3.069 20 10 EGCDMM O=C(CNc1ncc(F)c(-c2ccsc2)n1)c1ccc([O-])c(O)c1 ZINC001159280132 1381750264 /nfs/dbraw/zinc/75/02/64/1381750264.db2.gz BFXWXDVGGOFZGN-UHFFFAOYSA-N -1 1 345.355 3.050 20 10 EGCDMM Cc1cc(NCC(=O)c2ccc([O-])c(O)c2)ncc1C(F)(F)F ZINC001170316876 1384289536 /nfs/dbraw/zinc/28/95/36/1384289536.db2.gz SLJZGXIYUIJSEO-UHFFFAOYSA-N -1 1 326.274 3.115 20 10 EGCDMM COc1cc(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)ccn1 ZINC001174306599 1385095187 /nfs/dbraw/zinc/09/51/87/1385095187.db2.gz KVXQMSYESMSBCG-UHFFFAOYSA-N -1 1 346.342 3.315 20 10 EGCDMM Cc1nc([C@H](C)NCc2cc(C)cc(Br)c2[O-])no1 ZINC001329848068 1389236286 /nfs/dbraw/zinc/23/62/86/1389236286.db2.gz HBNNWXBEEPSBFF-QMMMGPOBSA-N -1 1 326.194 3.005 20 10 EGCDMM COc1ccc(N(C)Cc2cc(-c3nnn[n-]3)cs2)cc1Cl ZINC000826209230 1429118094 /nfs/dbraw/zinc/11/80/94/1429118094.db2.gz SGCYIUNUQGBTJI-UHFFFAOYSA-N -1 1 335.820 3.227 20 10 EGCDMM CCN(CC)c1ccc(C=Cc2ccc(-c3nnn[n-]3)cn2)cc1F ZINC000736533338 1423699925 /nfs/dbraw/zinc/69/99/25/1423699925.db2.gz ZMVRAQWWAYNZLP-VMPITWQZSA-N -1 1 338.390 3.417 20 10 EGCDMM CN(C)c1ccc(CN(c2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1 ZINC000736772267 1443213700 /nfs/dbraw/zinc/21/37/00/1443213700.db2.gz DEWIYBYNFMZODI-UHFFFAOYSA-N -1 1 334.427 3.102 20 10 EGCDMM CN(C)c1ccc(CNCc2cc(C(=O)[O-])co2)c(C(F)(F)F)c1 ZINC000901954216 980649055 /nfs/dbraw/zinc/64/90/55/980649055.db2.gz MIGUQINZAKHXCM-UHFFFAOYSA-N -1 1 342.317 3.352 20 10 EGCDMM CC(=O)c1cc(Cl)cc(CN2CCO[C@H](c3ccco3)C2)c1[O-] ZINC000121472527 454438891 /nfs/dbraw/zinc/43/88/91/454438891.db2.gz OCOZLIUCDFTDCI-INIZCTEOSA-N -1 1 335.787 3.415 20 10 EGCDMM COc1ccccc1[C@H](C)NC(=O)[C@@H](C)N(C)Cc1ccccc1O ZINC000109769636 454836028 /nfs/dbraw/zinc/83/60/28/454836028.db2.gz NWVJVQJHWIHZLD-LSDHHAIUSA-N -1 1 342.439 3.099 20 10 EGCDMM O=c1[n-]c(Sc2nccs2)nc2c1cnn2-c1ccccc1 ZINC000301284741 456081303 /nfs/dbraw/zinc/08/13/03/456081303.db2.gz MFFMVLGWMPXXDM-UHFFFAOYSA-N -1 1 327.394 3.129 20 10 EGCDMM O=C(c1c(F)ccc(O)c1[O-])N1CC[C@H](CSc2ccccc2)C1 ZINC000276617408 456532880 /nfs/dbraw/zinc/53/28/80/456532880.db2.gz QFNAHKRUOIKCLC-LBPRGKRZSA-N -1 1 347.411 3.491 20 10 EGCDMM CCSCCCNC(=O)NCc1cccc(Br)c1[O-] ZINC000282827942 456637516 /nfs/dbraw/zinc/63/75/16/456637516.db2.gz MDDMHELTPJFYNR-UHFFFAOYSA-N -1 1 347.278 3.097 20 10 EGCDMM CC1(C)[C@@H]2C[N@@H+](Cc3c([O-])ccc(C(=O)c4ccccc4)c3[O-])C[C@@H]21 ZINC000742164520 576753812 /nfs/dbraw/zinc/75/38/12/576753812.db2.gz LGVCACKFCNJQBN-CALCHBBNSA-N -1 1 337.419 3.417 20 10 EGCDMM CC1(C)[C@@H]2C[N@H+](Cc3c([O-])ccc(C(=O)c4ccccc4)c3[O-])C[C@@H]21 ZINC000742164520 576753814 /nfs/dbraw/zinc/75/38/14/576753814.db2.gz LGVCACKFCNJQBN-CALCHBBNSA-N -1 1 337.419 3.417 20 10 EGCDMM O=C([O-])[C@@]1(F)CC[N@H+](Cc2cc3oc4ccccc4c3cc2[O-])C1 ZINC000833175982 601372675 /nfs/dbraw/zinc/37/26/75/601372675.db2.gz VEJVTKPMABGWTR-GOSISDBHSA-N -1 1 329.327 3.290 20 10 EGCDMM O=C([O-])[C@@]1(F)CC[N@@H+](Cc2cc3oc4ccccc4c3cc2[O-])C1 ZINC000833175982 601372678 /nfs/dbraw/zinc/37/26/78/601372678.db2.gz VEJVTKPMABGWTR-GOSISDBHSA-N -1 1 329.327 3.290 20 10 EGCDMM C[C@H]1C[N@H+](Cc2cc3oc4ccccc4c3cc2[O-])C[C@H]1C(=O)[O-] ZINC000828455463 601818623 /nfs/dbraw/zinc/81/86/23/601818623.db2.gz CHVJQEFFPRLDHB-XHDPSFHLSA-N -1 1 325.364 3.444 20 10 EGCDMM C[C@H]1C[N@@H+](Cc2cc3oc4ccccc4c3cc2[O-])C[C@H]1C(=O)[O-] ZINC000828455463 601818624 /nfs/dbraw/zinc/81/86/24/601818624.db2.gz CHVJQEFFPRLDHB-XHDPSFHLSA-N -1 1 325.364 3.444 20 10 EGCDMM CCOc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OC2CC2)cc1 ZINC000829926704 1292641875 /nfs/dbraw/zinc/64/18/75/1292641875.db2.gz CQLXHVJOEARBPZ-UHFFFAOYSA-N -1 1 349.408 3.133 20 10 EGCDMM COC(=O)c1cccc2c1CCN(Cc1cccc(Cl)c1[O-])C2 ZINC000835068492 1293198589 /nfs/dbraw/zinc/19/85/89/1293198589.db2.gz HPWAGXBADFPFQH-UHFFFAOYSA-N -1 1 331.799 3.391 20 10 EGCDMM C[C@@H]1COCCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708075172 1298232914 /nfs/dbraw/zinc/23/29/14/1298232914.db2.gz JZVBXFBDMIRIOF-VIFPVBQESA-N -1 1 334.641 3.276 20 10 EGCDMM Cc1nnc([C@H](C)NCc2cc(Cl)cc(Br)c2[O-])[nH]1 ZINC000708197449 1298237606 /nfs/dbraw/zinc/23/76/06/1298237606.db2.gz RRZKFLZCSNCEDT-LURJTMIESA-N -1 1 345.628 3.085 20 10 EGCDMM CCC(CC)(NCc1cc(Cl)cc(C(C)=O)c1[O-])C(=O)OC ZINC000754919560 1300245757 /nfs/dbraw/zinc/24/57/57/1300245757.db2.gz DQSYWEKTRJSWDT-UHFFFAOYSA-N -1 1 327.808 3.070 20 10 EGCDMM CC(C)C[C@H](C)NC(=O)NCc1cccc(Br)c1[O-] ZINC000764799143 1302138119 /nfs/dbraw/zinc/13/81/19/1302138119.db2.gz HXTUOQPZRDSHRM-JTQLQIEISA-N -1 1 329.238 3.389 20 10 EGCDMM Cc1ccc(N2CCOCC2)cc1NCc1cc(F)cc(F)c1[O-] ZINC000883108975 1302253519 /nfs/dbraw/zinc/25/35/19/1302253519.db2.gz AHRJGNHCXKQVSP-UHFFFAOYSA-N -1 1 334.366 3.428 20 10 EGCDMM [O-]c1c(F)cc(Cl)cc1CN1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000775689266 1304015821 /nfs/dbraw/zinc/01/58/21/1304015821.db2.gz GGEXERRUXPUHJR-PWSUYJOCSA-N -1 1 327.705 3.072 20 10 EGCDMM CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1Cc1cc(Cl)cc(F)c1[O-] ZINC000775720563 1304020732 /nfs/dbraw/zinc/02/07/32/1304020732.db2.gz LVNKFXMYRWLUTH-CABCVRRESA-N -1 1 342.842 3.406 20 10 EGCDMM [O-]c1c(F)cc(Cl)cc1CN1CCC([C@H](O)C(F)(F)F)CC1 ZINC000775726304 1304022150 /nfs/dbraw/zinc/02/21/50/1304022150.db2.gz QMUPCDSYNNVYPL-ZDUSSCGKSA-N -1 1 341.732 3.320 20 10 EGCDMM Cc1cc(Br)c([O-])c(CN(C)CC(=O)OC(C)(C)C)c1 ZINC000781906304 1304890356 /nfs/dbraw/zinc/89/03/56/1304890356.db2.gz XFVXWTSEBDQOIV-UHFFFAOYSA-N -1 1 344.249 3.237 20 10 EGCDMM C[C@H](C(=O)OCC(=O)c1ccc([O-])c(O)c1)c1ccc(Cl)s1 ZINC000784035958 1305180577 /nfs/dbraw/zinc/18/05/77/1305180577.db2.gz ZXSLVMVQBPHNNU-QMMMGPOBSA-N -1 1 340.784 3.342 20 10 EGCDMM O=C(COC(=O)c1ccc(-c2ccco2)s1)c1ccc([O-])c(O)c1 ZINC000784202015 1305206335 /nfs/dbraw/zinc/20/63/35/1305206335.db2.gz URQZMLYNBWXFSD-UHFFFAOYSA-N -1 1 344.344 3.459 20 10 EGCDMM Cc1ccsc1CCCC(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784311632 1305227647 /nfs/dbraw/zinc/22/76/47/1305227647.db2.gz AXCDNSNYSHSFTP-UHFFFAOYSA-N -1 1 334.393 3.217 20 10 EGCDMM CCSc1ccc(CC(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC000784340905 1305232853 /nfs/dbraw/zinc/23/28/53/1305232853.db2.gz XZCMRQWUVZSXLZ-UHFFFAOYSA-N -1 1 346.404 3.178 20 10 EGCDMM C[C@H](CCCc1ccccc1)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784543656 1305256785 /nfs/dbraw/zinc/25/67/85/1305256785.db2.gz HSBSQMVKSKEZSB-CQSZACIVSA-N -1 1 342.391 3.483 20 10 EGCDMM O=C(COC(=O)[C@H]1CCc2c1cccc2Cl)c1ccc([O-])c(O)c1 ZINC000784545287 1305257328 /nfs/dbraw/zinc/25/73/28/1305257328.db2.gz PAAFRAOAVRCLMH-ZDUSSCGKSA-N -1 1 346.766 3.207 20 10 EGCDMM C[C@H]1CCC[C@H]1CNC(=O)NCc1cccc(Br)c1[O-] ZINC000798511103 1310375623 /nfs/dbraw/zinc/37/56/23/1310375623.db2.gz FXXRUMCJUKLWGG-QWRGUYRKSA-N -1 1 341.249 3.390 20 10 EGCDMM COCCO[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000802652842 1317023925 /nfs/dbraw/zinc/02/39/25/1317023925.db2.gz KSMUBNDJUGRQBB-ZDUSSCGKSA-N -1 1 334.243 3.326 20 10 EGCDMM C[C@@H]1C[C@@H]1c1nnc(NCc2cc(Br)cc(F)c2[O-])o1 ZINC000905418129 1317957292 /nfs/dbraw/zinc/95/72/92/1317957292.db2.gz FDCUYLFJBUZNGX-MUWHJKNJSA-N -1 1 342.168 3.412 20 10 EGCDMM [O-]c1cc(F)c(Cl)cc1CNc1ccccc1Cn1cncn1 ZINC000816525766 1319176027 /nfs/dbraw/zinc/17/60/27/1319176027.db2.gz HPGRAGHWRGINCU-UHFFFAOYSA-N -1 1 332.766 3.437 20 10 EGCDMM COC(=O)COc1ccc(N(C)Cc2cccc([O-])c2Cl)cc1 ZINC000816567602 1319184648 /nfs/dbraw/zinc/18/46/48/1319184648.db2.gz GXLLACMLESKYIS-UHFFFAOYSA-N -1 1 335.787 3.234 20 10 EGCDMM Cc1cc([N-]S(=O)(=O)c2ccc3onc(Cl)c3c2)ccc1O ZINC000821190910 1320002436 /nfs/dbraw/zinc/00/24/36/1320002436.db2.gz HXTYRHYQRSQRAB-UHFFFAOYSA-N -1 1 338.772 3.296 20 10 EGCDMM Cc1cc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2O)ccc1O ZINC000821191001 1320002592 /nfs/dbraw/zinc/00/25/92/1320002592.db2.gz JBILDUKZONWANI-UHFFFAOYSA-N -1 1 347.314 3.226 20 10 EGCDMM O=C(COC(=O)[C@H]1CCC[C@@H]1c1ccccc1)c1ccc([O-])c(O)c1 ZINC000837866844 1320697831 /nfs/dbraw/zinc/69/78/31/1320697831.db2.gz XQXDRKMWTCCVBA-CVEARBPZSA-N -1 1 340.375 3.408 20 10 EGCDMM Cc1cc(S(=O)(=O)Nc2cc(F)c([O-])c(F)c2)ccc1Cl ZINC001185524775 1387738509 /nfs/dbraw/zinc/73/85/09/1387738509.db2.gz KILMJYRNPUMZQZ-UHFFFAOYSA-N -1 1 333.743 3.433 20 10 EGCDMM COc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(F)c(O)c(F)c2)c1 ZINC001189610981 1367068395 /nfs/dbraw/zinc/06/83/95/1367068395.db2.gz SUTWKITVGFEXIU-UHFFFAOYSA-N -1 1 349.742 3.133 20 10 EGCDMM O=C(Nc1ccccc1-c1cc[nH]n1)c1ccc(O)c([O-])c1Cl ZINC001193229105 1367972626 /nfs/dbraw/zinc/97/26/26/1367972626.db2.gz DSWFAPOWVIICBM-UHFFFAOYSA-N -1 1 329.743 3.394 20 10 EGCDMM O=C(NCc1cc(Cl)nc(Cl)c1)c1ccc(O)c([O-])c1Cl ZINC001193236447 1367974980 /nfs/dbraw/zinc/97/49/80/1367974980.db2.gz CVVWRVHXAJOCJQ-UHFFFAOYSA-N -1 1 347.585 3.383 20 10 EGCDMM O=C(N[C@H]1CCc2c1c(F)ccc2F)c1ccc(O)c([O-])c1Cl ZINC001193253896 1367980553 /nfs/dbraw/zinc/98/05/53/1367980553.db2.gz CSPLGNSIXHYCNF-NSHDSACASA-N -1 1 339.725 3.447 20 10 EGCDMM CNc1ccc(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)cn1 ZINC001203459187 1370133766 /nfs/dbraw/zinc/13/37/66/1370133766.db2.gz ZKPXSALPZVFPOD-UHFFFAOYSA-N -1 1 345.358 3.348 20 10 EGCDMM COc1ccnc(-c2noc(-c3ccc(O)c([O-])c3Cl)n2)c1F ZINC001216954095 1373369900 /nfs/dbraw/zinc/36/99/00/1373369900.db2.gz OYQLAKGIFPKWDF-UHFFFAOYSA-N -1 1 337.694 3.011 20 10 EGCDMM COC(=O)c1ccc2c(c1)CCN(Cc1ccc(F)c(F)c1[O-])C2 ZINC001233076498 1376563238 /nfs/dbraw/zinc/56/32/38/1376563238.db2.gz PMLAJASMAVJZOK-UHFFFAOYSA-N -1 1 333.334 3.015 20 10 EGCDMM COc1cc2c(cc1OC)CN(Cc1c([O-])ccc(F)c1F)CC2 ZINC001233334845 1376619394 /nfs/dbraw/zinc/61/93/94/1376619394.db2.gz WEFNZFAIQNJYJD-UHFFFAOYSA-N -1 1 335.350 3.246 20 10 EGCDMM CC(C)(C)OC(=O)N1CCN(Cc2c([O-])cccc2F)C(C)(C)C1 ZINC001137837711 1377626989 /nfs/dbraw/zinc/62/69/89/1377626989.db2.gz ROKBUELBPLSMLG-UHFFFAOYSA-N -1 1 338.423 3.363 20 10 EGCDMM Cc1cccc(OC2CCN(Cc3c([O-])cc(F)cc3F)CC2)n1 ZINC001140585535 1378090241 /nfs/dbraw/zinc/09/02/41/1378090241.db2.gz MRFUXNCRVDAGCY-UHFFFAOYSA-N -1 1 334.366 3.417 20 10 EGCDMM CN(Cc1ccno1)Cc1cc(Cl)cc(Br)c1[O-] ZINC001141374949 1378313450 /nfs/dbraw/zinc/31/34/50/1378313450.db2.gz SREBMTAAFAMWSQ-UHFFFAOYSA-N -1 1 331.597 3.428 20 10 EGCDMM CCOc1ccc(N2CCN(Cc3cc(F)c([O-])cc3F)CC2)cc1 ZINC001144663928 1378758132 /nfs/dbraw/zinc/75/81/32/1378758132.db2.gz OJJBAHKWSJPGQK-UHFFFAOYSA-N -1 1 348.393 3.391 20 10 EGCDMM CC(C)CCC[C@@H](C)NC(=O)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155233477 1380427485 /nfs/dbraw/zinc/42/74/85/1380427485.db2.gz BJEVSLOMBYIMPX-LLVKDONJSA-N -1 1 333.384 3.149 20 10 EGCDMM O=C(CNc1ncnc2c3ccccc3oc21)c1ccc([O-])c(O)c1 ZINC001170314127 1384288263 /nfs/dbraw/zinc/28/82/63/1384288263.db2.gz ONRPLLLUPHUFHV-UHFFFAOYSA-N -1 1 335.319 3.082 20 10 EGCDMM Cc1ccc(N)cc1S(=O)(=O)[N-]c1ccc(O)cc1C(F)(F)F ZINC001176339327 1385556299 /nfs/dbraw/zinc/55/62/99/1385556299.db2.gz VXRPZRODHKXGIM-UHFFFAOYSA-N -1 1 346.330 3.102 20 10 EGCDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H]1C=CCCC1 ZINC001320789344 1386718794 /nfs/dbraw/zinc/71/87/94/1386718794.db2.gz CVZGEIHSMRNBLL-LLVKDONJSA-N -1 1 325.206 3.063 20 10 EGCDMM O=C([N-]c1c2nonc2ccc1Cl)c1ccc(Br)o1 ZINC001321103323 1386809881 /nfs/dbraw/zinc/80/98/81/1386809881.db2.gz JYSLFSBGDJCLLD-UHFFFAOYSA-N -1 1 342.536 3.484 20 10 EGCDMM CN(C)c1cc(F)c(CN2CCC[C@@H](CCC(=O)[O-])C2)cc1F ZINC001593710113 954179773 /nfs/dbraw/zinc/17/97/73/954179773.db2.gz ALZRDZLQFXNXOT-LBPRGKRZSA-N -1 1 326.387 3.108 20 10 EGCDMM Cc1cc(Br)c([O-])c(C[N@@H+]2C[C@H](C(=O)[O-])CC[C@H]2C)c1 ZINC000817880872 969184665 /nfs/dbraw/zinc/18/46/65/969184665.db2.gz LBMFMZVQYKKWPE-GHMZBOCLSA-N -1 1 342.233 3.148 20 10 EGCDMM C[C@H](NC/C=C/c1ccc(N(C)C)cc1)c1ncc(C(=O)[O-])s1 ZINC000901909445 980622527 /nfs/dbraw/zinc/62/25/27/980622527.db2.gz CDBPDLSNRFSKIO-ITKZLYELSA-N -1 1 331.441 3.271 20 10 EGCDMM CC(=O)c1cc(F)cc(C[NH2+][C@@H](C(=O)[O-])c2ccc(C)c(C)c2)c1[O-] ZINC000905379182 981101303 /nfs/dbraw/zinc/10/13/03/981101303.db2.gz SLKSUGMLCPOCNX-QGZVFWFLSA-N -1 1 345.370 3.266 20 10 EGCDMM O=C([O-])[C@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2[O-])Cc2ccccc21 ZINC001594951996 982662607 /nfs/dbraw/zinc/66/26/07/982662607.db2.gz ZKSPHYFTXRZSOC-AWEZNQCLSA-N -1 1 335.762 3.369 20 10 EGCDMM C[C@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1cc(C(=O)[O-])co1 ZINC001593198175 994168834 /nfs/dbraw/zinc/16/88/34/994168834.db2.gz OBCZWVRHJZRPCR-KBPBESRZSA-N -1 1 344.411 3.226 20 10 EGCDMM O=C1CCCN1C1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000093088038 454680701 /nfs/dbraw/zinc/68/07/01/454680701.db2.gz KSOZIXXZDUEMAM-UHFFFAOYSA-N -1 1 343.254 3.286 20 10 EGCDMM C[C@@H](NCc1nnc2n1CCCC2)c1ccc(Cl)c(Cl)c1[O-] ZINC000183842759 455332266 /nfs/dbraw/zinc/33/22/66/455332266.db2.gz YSQULJITRBFRAD-SECBINFHSA-N -1 1 341.242 3.478 20 10 EGCDMM CC(C)[C@H](NCc1cc(Cl)cc(Cl)c1[O-])c1nncn1C ZINC000285582203 455874488 /nfs/dbraw/zinc/87/44/88/455874488.db2.gz UAPVZNDJUYJHPA-LBPRGKRZSA-N -1 1 329.231 3.314 20 10 EGCDMM CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000271211929 456174792 /nfs/dbraw/zinc/17/47/92/456174792.db2.gz VQMGIZHTEGDHCF-GFCCVEGCSA-N -1 1 340.851 3.392 20 10 EGCDMM O=C(CSc1ccc(C(F)(F)F)cn1)c1ccc([O-])c(O)c1 ZINC000031743270 1291374421 /nfs/dbraw/zinc/37/44/21/1291374421.db2.gz JOLZTQOJQHSQOF-UHFFFAOYSA-N -1 1 329.299 3.487 20 10 EGCDMM CN1c2ccccc2C(=O)N[C@@H]1c1cccc(Br)c1[O-] ZINC000054680908 1291759882 /nfs/dbraw/zinc/75/98/82/1291759882.db2.gz DAINYNXKYKEUDH-AWEZNQCLSA-N -1 1 333.185 3.033 20 10 EGCDMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc2c(c1)OCO2 ZINC000055545917 1291785628 /nfs/dbraw/zinc/78/56/28/1291785628.db2.gz CIADASKSNSPENS-UHFFFAOYSA-N -1 1 325.773 3.178 20 10 EGCDMM Cc1cnc(C2CCN(C(=O)c3c(F)ccc(O)c3[O-])CC2)s1 ZINC000830504319 1292725719 /nfs/dbraw/zinc/72/57/19/1292725719.db2.gz OYJTXXQBADHHGU-UHFFFAOYSA-N -1 1 336.388 3.022 20 10 EGCDMM O=S(=O)([N-]c1ccc(O)cc1)c1ccc(Br)c(F)c1 ZINC000182418782 1295045067 /nfs/dbraw/zinc/04/50/67/1295045067.db2.gz YASBNWVGCIZPPI-UHFFFAOYSA-N -1 1 346.177 3.095 20 10 EGCDMM O=C(Nc1ccc(NCc2cc(F)cc(F)c2[O-])cc1)[C@@H]1CCCO1 ZINC000882908001 1302157965 /nfs/dbraw/zinc/15/79/65/1302157965.db2.gz YVXAVDZZOSGTGW-INIZCTEOSA-N -1 1 348.349 3.400 20 10 EGCDMM O=C1CCCN1Cc1cccc(NCc2cc(F)cc(F)c2[O-])c1 ZINC000882908434 1302159520 /nfs/dbraw/zinc/15/95/20/1302159520.db2.gz QXOUFXNETQYOIU-UHFFFAOYSA-N -1 1 332.350 3.405 20 10 EGCDMM Cc1cn2nc(NCc3cccc(Br)c3[O-])sc2n1 ZINC000764934112 1302170081 /nfs/dbraw/zinc/17/00/81/1302170081.db2.gz JNSDPEZAKMUEKN-UHFFFAOYSA-N -1 1 339.218 3.179 20 10 EGCDMM Cc1noc(C)c1NC(=O)NCc1cccc(Br)c1[O-] ZINC000765279213 1302236244 /nfs/dbraw/zinc/23/62/44/1302236244.db2.gz XQARTPFQXFGFJJ-UHFFFAOYSA-N -1 1 340.177 3.081 20 10 EGCDMM C[C@@H](NCc1cc(Cl)cc(Br)c1[O-])c1ccn(C)n1 ZINC000883144915 1302270073 /nfs/dbraw/zinc/27/00/73/1302270073.db2.gz GGZBKEHJPMGRDM-MRVPVSSYSA-N -1 1 344.640 3.392 20 10 EGCDMM O=C(CCc1ccccc1)NCc1cccc(Br)c1[O-] ZINC000765750746 1302319102 /nfs/dbraw/zinc/31/91/02/1302319102.db2.gz KYQSTYOWYXVUSL-UHFFFAOYSA-N -1 1 334.213 3.404 20 10 EGCDMM COc1c([O-])c(CNCC(F)(F)c2ccccc2)ccc1[N+](=O)[O-] ZINC000775099180 1303907491 /nfs/dbraw/zinc/90/74/91/1303907491.db2.gz CTVZXKHBRJZZJZ-UHFFFAOYSA-N -1 1 338.310 3.191 20 10 EGCDMM [O-]c1c(F)cc(Cl)cc1CN1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000775689264 1304015706 /nfs/dbraw/zinc/01/57/06/1304015706.db2.gz GGEXERRUXPUHJR-JQWIXIFHSA-N -1 1 327.705 3.072 20 10 EGCDMM CC(C)[C@@H](Cc1ccccc1)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783764285 1305141851 /nfs/dbraw/zinc/14/18/51/1305141851.db2.gz VYQGDWRVPDKDDO-MRXNPFEDSA-N -1 1 342.391 3.339 20 10 EGCDMM O=C(C=Cc1ccc2[nH]ccc2c1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784452713 1305245762 /nfs/dbraw/zinc/24/57/62/1305245762.db2.gz BXAROVNEOWUEMB-KXFIGUGUSA-N -1 1 337.331 3.018 20 10 EGCDMM CCC(CC)n1nc(C)cc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784565786 1305258662 /nfs/dbraw/zinc/25/86/62/1305258662.db2.gz ZYMAMSMHOBTWLC-UHFFFAOYSA-N -1 1 346.383 3.004 20 10 EGCDMM Cc1cc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c(C(F)(F)F)o1 ZINC000784769213 1305280799 /nfs/dbraw/zinc/28/07/99/1305280799.db2.gz MDTSUXGTZALCHZ-UHFFFAOYSA-N -1 1 344.241 3.058 20 10 EGCDMM [O-]c1c(Br)cc(Cl)cc1CN1CCC[C@H](CO)C1 ZINC000893864271 1306104203 /nfs/dbraw/zinc/10/42/03/1306104203.db2.gz WIHXPLNFUXPRKR-VIFPVBQESA-N -1 1 334.641 3.012 20 10 EGCDMM CCc1cncc(C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000790065745 1306255969 /nfs/dbraw/zinc/25/59/69/1306255969.db2.gz RYBANPCGJHXGFX-UHFFFAOYSA-N -1 1 335.201 3.042 20 10 EGCDMM O=C1NCCN1c1cccc(NCc2c([O-])ccc(Cl)c2F)c1 ZINC000790953374 1308894685 /nfs/dbraw/zinc/89/46/85/1308894685.db2.gz VKRHVPIENQMQTC-UHFFFAOYSA-N -1 1 335.766 3.326 20 10 EGCDMM [O-]c1ccc(Cl)c(F)c1CNc1cccc(Cn2cncn2)c1 ZINC000790963961 1308898431 /nfs/dbraw/zinc/89/84/31/1308898431.db2.gz FFZNMNPQLVVASS-UHFFFAOYSA-N -1 1 332.766 3.437 20 10 EGCDMM Cc1cccc(S(=O)(=O)Nc2cc(Cl)c([O-])cc2F)c1F ZINC000808115598 1317626697 /nfs/dbraw/zinc/62/66/97/1317626697.db2.gz KOMQXNVQCQZIFT-UHFFFAOYSA-N -1 1 333.743 3.433 20 10 EGCDMM C/C(=C(\F)C(=O)NCc1cccc(Br)c1[O-])C1CC1 ZINC000907759483 1318255516 /nfs/dbraw/zinc/25/55/16/1318255516.db2.gz ZCOSSIQROPLYQD-XYOKQWHBSA-N -1 1 328.181 3.424 20 10 EGCDMM Cc1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1-n1cnnn1 ZINC000816525300 1319176310 /nfs/dbraw/zinc/17/63/10/1319176310.db2.gz NHAHDBMKEFUCGA-UHFFFAOYSA-N -1 1 333.754 3.081 20 10 EGCDMM C[C@@H]1C[N@@H+](Cc2c(O)cccc2Br)CC2(CCC2)O1 ZINC000862399849 1329482898 /nfs/dbraw/zinc/48/28/98/1329482898.db2.gz FFHKUFHWLNTUBQ-LLVKDONJSA-N -1 1 326.234 3.298 20 10 EGCDMM CN(C)c1cccc([N-]S(=O)(=O)c2ccc(-c3cnco3)cc2)c1 ZINC001185227903 1387657127 /nfs/dbraw/zinc/65/71/27/1387657127.db2.gz UYFXDEMYMPUTPZ-UHFFFAOYSA-N -1 1 343.408 3.208 20 10 EGCDMM O=C(Nc1ncccc1OC(F)(F)F)c1ccc(O)c([O-])c1Cl ZINC001193220857 1367969410 /nfs/dbraw/zinc/96/94/10/1367969410.db2.gz YPXDZYSANUUXHZ-UHFFFAOYSA-N -1 1 348.664 3.297 20 10 EGCDMM Cn1c(CNC(=O)c2ccc(O)c([O-])c2Cl)ccc1C(F)(F)F ZINC001193236416 1367975541 /nfs/dbraw/zinc/97/55/41/1367975541.db2.gz BSJSQNQRYVSWQE-UHFFFAOYSA-N -1 1 348.708 3.039 20 10 EGCDMM O=C(NCc1cccc(-c2c[nH]cn2)c1)c1ccc(O)c([O-])c1Cl ZINC001193246817 1367979486 /nfs/dbraw/zinc/97/94/86/1367979486.db2.gz CLWFMFQKZVQYJL-UHFFFAOYSA-N -1 1 343.770 3.071 20 10 EGCDMM COCOc1ccccc1-c1noc(-c2ccc(O)c([O-])c2Cl)n1 ZINC001216951334 1373369932 /nfs/dbraw/zinc/36/99/32/1373369932.db2.gz GPJXFPVTXOXPJV-UHFFFAOYSA-N -1 1 348.742 3.451 20 10 EGCDMM O=C1c2ccccc2C(=O)c2c1ccc([O-])c2OC[C@@H]1CCCCO1 ZINC001227580388 1375447442 /nfs/dbraw/zinc/44/74/42/1375447442.db2.gz OEPYZFGRJCDOCV-LBPRGKRZSA-N -1 1 338.359 3.116 20 10 EGCDMM CCC1(NC(=O)OC(C)(C)C)CN(Cc2c([O-])ccc(F)c2F)C1 ZINC001233335587 1376619310 /nfs/dbraw/zinc/61/93/10/1376619310.db2.gz CFWLIJKSVSVZPI-UHFFFAOYSA-N -1 1 342.386 3.160 20 10 EGCDMM O=C(c1cccc(Cl)c1)N1CCN(Cc2c([O-])cccc2F)CC1 ZINC001137839501 1377626910 /nfs/dbraw/zinc/62/69/10/1377626910.db2.gz AMKUUOUAMLDULJ-UHFFFAOYSA-N -1 1 348.805 3.143 20 10 EGCDMM O=C1CN(Cc2c([O-])cccc2F)CCN1c1ccc(Cl)cc1 ZINC001137839713 1377628647 /nfs/dbraw/zinc/62/86/47/1377628647.db2.gz HRZBDZSDMDXSIH-UHFFFAOYSA-N -1 1 334.778 3.034 20 10 EGCDMM Cc1ccnc(O[C@H]2CCCN(Cc3c(F)ccc(F)c3[O-])C2)c1 ZINC001139686544 1377934922 /nfs/dbraw/zinc/93/49/22/1377934922.db2.gz AHRHVBZDBAACAW-ZDUSSCGKSA-N -1 1 334.366 3.417 20 10 EGCDMM [O-]c1cc(F)c(F)cc1CN1Cc2cc(Br)cnc2C1 ZINC001142525005 1378453660 /nfs/dbraw/zinc/45/36/60/1378453660.db2.gz SREFNAMEROOQKR-UHFFFAOYSA-N -1 1 341.155 3.344 20 10 EGCDMM O=c1ccc(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)c[nH]1 ZINC001176132120 1385492387 /nfs/dbraw/zinc/49/23/87/1385492387.db2.gz VQEGCWYZAKWAQJ-UHFFFAOYSA-N -1 1 332.315 3.012 20 10 EGCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2CC[C@H](CF)C2)c1[O-] ZINC001333314770 1390282363 /nfs/dbraw/zinc/28/23/63/1390282363.db2.gz WHFKECILGFECGU-CYBMUJFWSA-N -1 1 329.371 3.120 20 10 EGCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2CC[C@H](CF)C2)c1[O-] ZINC001333314770 1390282364 /nfs/dbraw/zinc/28/23/64/1390282364.db2.gz WHFKECILGFECGU-CYBMUJFWSA-N -1 1 329.371 3.120 20 10 EGCDMM Cc1cc(Br)c([O-])c(CNCc2nc(C(F)F)no2)c1 ZINC001343227294 1390700860 /nfs/dbraw/zinc/70/08/60/1390700860.db2.gz ZMSQXSZRCBTNGT-UHFFFAOYSA-N -1 1 348.147 3.074 20 10 EGCDMM O=C([O-])c1ccccc1C[NH2+]Cc1c([O-])cccc1Br ZINC001595255364 949594317 /nfs/dbraw/zinc/59/43/17/949594317.db2.gz QALYIEBOZBOXEN-UHFFFAOYSA-N -1 1 336.185 3.143 20 10 EGCDMM O=C([O-])CCC1CC[NH+](Cc2c([O-])cccc2Br)CC1 ZINC000706649096 954953702 /nfs/dbraw/zinc/95/37/02/954953702.db2.gz BOUUKTCKAMLGLZ-UHFFFAOYSA-N -1 1 342.233 3.232 20 10 EGCDMM C[C@H]([NH2+]C1CCC(C(=O)[O-])CC1)c1cc(Br)ccc1[O-] ZINC001589123609 956149153 /nfs/dbraw/zinc/14/91/53/956149153.db2.gz MWPSSFKOJVRRSU-BMQDGWLCSA-N -1 1 342.233 3.449 20 10 EGCDMM CN(C)c1cc(F)c(CN[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1F ZINC000905012214 956959109 /nfs/dbraw/zinc/95/91/09/956959109.db2.gz FUUHHFJKFXTFAJ-WMLDXEAASA-N -1 1 346.377 3.434 20 10 EGCDMM CC[C@]1(C(=O)[O-])CCC[N@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000700994266 968983457 /nfs/dbraw/zinc/98/34/57/968983457.db2.gz WVYYGSJTUPIWOR-HNNXBMFYSA-N -1 1 342.233 3.232 20 10 EGCDMM CC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000700994266 968983463 /nfs/dbraw/zinc/98/34/63/968983463.db2.gz WVYYGSJTUPIWOR-HNNXBMFYSA-N -1 1 342.233 3.232 20 10 EGCDMM C[C@@]1(C(=O)[O-])CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC001603306908 972587661 /nfs/dbraw/zinc/58/76/61/972587661.db2.gz NWAWVCFSAMBUAX-HXUWFJFHSA-N -1 1 341.407 3.268 20 10 EGCDMM Cc1cc([O-])c(C[NH2+]C[C@@](C)(C(=O)[O-])c2ccccc2)c(Cl)c1 ZINC001605216692 972962681 /nfs/dbraw/zinc/96/26/81/972962681.db2.gz MSXIIZJKSQKVDG-GOSISDBHSA-N -1 1 333.815 3.486 20 10 EGCDMM Cc1cc([O-])c(C[NH2+]C[C@](C)(C(=O)[O-])c2ccccc2)c(Cl)c1 ZINC001605216693 972962810 /nfs/dbraw/zinc/96/28/10/972962810.db2.gz MSXIIZJKSQKVDG-SFHVURJKSA-N -1 1 333.815 3.486 20 10 EGCDMM C[C@H](C(=O)NCc1ccccc1Cl)N(C)Cc1ccccc1O ZINC000111236489 454858880 /nfs/dbraw/zinc/85/88/80/454858880.db2.gz NXPCXEZFBRZNRD-CYBMUJFWSA-N -1 1 332.831 3.182 20 10 EGCDMM COc1c(O)c(C[N@H+](CCC(F)(F)F)CC2CC2)ccc1[N+](=O)[O-] ZINC000278558014 455839926 /nfs/dbraw/zinc/83/99/26/455839926.db2.gz AVBZZJSSQVIBDC-UHFFFAOYSA-N -1 1 348.321 3.473 20 10 EGCDMM CCCC[N@H+](Cc1ccccc1O)[C@H](C)c1nc(N)nc(Cl)n1 ZINC000295374636 455847585 /nfs/dbraw/zinc/84/75/85/455847585.db2.gz POPKZBOJTIYYIH-LLVKDONJSA-N -1 1 335.839 3.176 20 10 EGCDMM Cc1nc(-c2ccc(N(C)Cc3ccccc3O)nc2)[n-]c(=O)c1C ZINC000302605159 456364350 /nfs/dbraw/zinc/36/43/50/456364350.db2.gz CZFXFAZPRBZAMQ-UHFFFAOYSA-N -1 1 336.395 3.203 20 10 EGCDMM CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](C(=O)[O-])c2ccccc2)c1[O-] ZINC000825946604 601415505 /nfs/dbraw/zinc/41/55/05/601415505.db2.gz GWBLVVPHDABXDE-OAHLLOKOSA-N -1 1 333.771 3.164 20 10 EGCDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2)c(Br)c1 ZINC000040432274 1291409582 /nfs/dbraw/zinc/40/95/82/1291409582.db2.gz RJXCEHPOMWEXDI-UHFFFAOYSA-N -1 1 342.214 3.264 20 10 EGCDMM [O-]c1c(Br)cccc1CNc1ccc(-n2ccnc2)nc1 ZINC000048796136 1291619207 /nfs/dbraw/zinc/61/92/07/1291619207.db2.gz HFOAEGQCTXWDAT-UHFFFAOYSA-N -1 1 345.200 3.348 20 10 EGCDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(O)cc2C)c1C ZINC000078005174 1292492521 /nfs/dbraw/zinc/49/25/21/1292492521.db2.gz FBUVWAUXFPGOBF-UHFFFAOYSA-N -1 1 336.369 3.026 20 10 EGCDMM COCCC[C@@H](Cc1ccccc1)NC(=O)c1c(F)ccc(O)c1[O-] ZINC000830909290 1292783038 /nfs/dbraw/zinc/78/30/38/1292783038.db2.gz YUVCBDMLBROCSN-AWEZNQCLSA-N -1 1 347.386 3.005 20 10 EGCDMM Cc1cc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)ccc1O ZINC000136485488 1293817148 /nfs/dbraw/zinc/81/71/48/1293817148.db2.gz OOUAHLJXQQHGGM-UHFFFAOYSA-N -1 1 347.314 3.400 20 10 EGCDMM CSc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C)c(F)c1 ZINC000192155154 1295737506 /nfs/dbraw/zinc/73/75/06/1295737506.db2.gz LPONYRZCLAMDPZ-UHFFFAOYSA-N -1 1 327.402 3.362 20 10 EGCDMM C[C@@H]1CC[C@H](C(=O)[O-])C[C@@H]1[NH2+]Cc1c([O-])cccc1Br ZINC000871876925 1296585413 /nfs/dbraw/zinc/58/54/13/1296585413.db2.gz PZNTUIAJWFYAFE-NRUUGDAUSA-N -1 1 342.233 3.134 20 10 EGCDMM C[C@H]1CN(Cc2cc(Cl)cc(Br)c2[O-])CCCO1 ZINC000708139820 1298237214 /nfs/dbraw/zinc/23/72/14/1298237214.db2.gz IZMSZZWGVHGIEH-VIFPVBQESA-N -1 1 334.641 3.419 20 10 EGCDMM CC(=O)c1cc(Cl)cc(CN2CCO[C@H](C(F)(F)F)C2)c1[O-] ZINC000750047203 1299331349 /nfs/dbraw/zinc/33/13/49/1299331349.db2.gz KBESLJCSYJLBMJ-LBPRGKRZSA-N -1 1 337.725 3.011 20 10 EGCDMM CC(=O)NC[C@H]1CCCCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000877675492 1299470932 /nfs/dbraw/zinc/47/09/32/1299470932.db2.gz RPGYXJFGFFXPTC-CYBMUJFWSA-N -1 1 331.243 3.190 20 10 EGCDMM [O-]c1c(Br)cccc1CNc1ccnc2ccncc21 ZINC000764935382 1302171503 /nfs/dbraw/zinc/17/15/03/1302171503.db2.gz SKUUBGHJTUOXJY-UHFFFAOYSA-N -1 1 330.185 3.132 20 10 EGCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@H]1CC=CCC1 ZINC000765481681 1302271819 /nfs/dbraw/zinc/27/18/19/1302271819.db2.gz RIUHIVUIRKTPPW-NSHDSACASA-N -1 1 339.233 3.310 20 10 EGCDMM Cc1ccc([C@@H](C)C(=O)NCc2cccc(Br)c2[O-])o1 ZINC000765727259 1302314751 /nfs/dbraw/zinc/31/47/51/1302314751.db2.gz LCBOVOKZOXLJMJ-SNVBAGLBSA-N -1 1 338.201 3.476 20 10 EGCDMM COC1(C(=O)NCc2cccc(Br)c2[O-])CCCCC1 ZINC000765753609 1302317969 /nfs/dbraw/zinc/31/79/69/1302317969.db2.gz OOCFVQMJVTZVNU-UHFFFAOYSA-N -1 1 342.233 3.120 20 10 EGCDMM O=C(NCc1cccc(Br)c1[O-])c1cccc(Cl)n1 ZINC000765750254 1302318452 /nfs/dbraw/zinc/31/84/52/1302318452.db2.gz DNXRLBFYGWVHAX-UHFFFAOYSA-N -1 1 341.592 3.133 20 10 EGCDMM CC(C)OCCN1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000769467948 1303119284 /nfs/dbraw/zinc/11/92/84/1303119284.db2.gz ANFGNBFFRYTCCH-UHFFFAOYSA-N -1 1 347.286 3.242 20 10 EGCDMM COC(=O)[C@@H]1C[C@H](C)CCN1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000775808430 1304042772 /nfs/dbraw/zinc/04/27/72/1304042772.db2.gz ZZZHHTKFTQFNFU-BMIGLBTASA-N -1 1 339.819 3.022 20 10 EGCDMM Cc1cccc2cc(C(=O)OCC(=O)c3ccc([O-])c(O)c3)oc21 ZINC000783301557 1305078826 /nfs/dbraw/zinc/07/88/26/1305078826.db2.gz KYPKHTZVELDSAI-UHFFFAOYSA-N -1 1 326.304 3.192 20 10 EGCDMM C[C@H](CC(=O)OCC(=O)c1ccc([O-])c(O)c1)c1cccc(F)c1 ZINC000783690433 1305128784 /nfs/dbraw/zinc/12/87/84/1305128784.db2.gz LHOFTSMRCKSCNK-LLVKDONJSA-N -1 1 332.327 3.157 20 10 EGCDMM C[C@H](Cc1ccccc1Cl)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784366052 1305235536 /nfs/dbraw/zinc/23/55/36/1305235536.db2.gz HZKNVMZOGDDOMZ-LLVKDONJSA-N -1 1 348.782 3.356 20 10 EGCDMM O=C(COC(=O)c1cccc(-c2ccoc2)c1)c1ccc([O-])c(O)c1 ZINC000784418468 1305243132 /nfs/dbraw/zinc/24/31/32/1305243132.db2.gz IMEPSYMBWSSEIX-UHFFFAOYSA-N -1 1 338.315 3.398 20 10 EGCDMM Cc1ccc(C[C@@H](C)C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC000784586807 1305262662 /nfs/dbraw/zinc/26/26/62/1305262662.db2.gz RHUGFIXNPZZQEC-CYBMUJFWSA-N -1 1 328.364 3.011 20 10 EGCDMM O=C(NCc1ccc(F)cc1C(F)(F)F)c1c([O-])c(O)ccc1F ZINC000789956201 1306237221 /nfs/dbraw/zinc/23/72/21/1306237221.db2.gz CZXVEDKQBMOBGJ-UHFFFAOYSA-N -1 1 347.239 3.325 20 10 EGCDMM Cc1cc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c(C)cc1Cl ZINC000795925891 1309863607 /nfs/dbraw/zinc/86/36/07/1309863607.db2.gz BBFYJHHNHVYCNX-UHFFFAOYSA-N -1 1 334.755 3.408 20 10 EGCDMM CC(C)c1nnc(NCc2cc(Br)cc(F)c2[O-])o1 ZINC000905404772 1317956044 /nfs/dbraw/zinc/95/60/44/1317956044.db2.gz CYWKOVIPFYLDCB-UHFFFAOYSA-N -1 1 330.157 3.412 20 10 EGCDMM CC[C@H](NCc1ncn(-c2ccccc2)n1)c1ccc(F)cc1[O-] ZINC000815658322 1319039339 /nfs/dbraw/zinc/03/93/39/1319039339.db2.gz ZCCYUSSDJWWKFR-INIZCTEOSA-N -1 1 326.375 3.353 20 10 EGCDMM O=C1NCCN1c1cccc(NCc2cc(Cl)c(F)cc2[O-])c1 ZINC000816479410 1319161503 /nfs/dbraw/zinc/16/15/03/1319161503.db2.gz KOWOEPIJHBRHAN-UHFFFAOYSA-N -1 1 335.766 3.326 20 10 EGCDMM NC(=O)CCOc1ccccc1NCc1cc(Cl)c(F)cc1[O-] ZINC000816525231 1319174809 /nfs/dbraw/zinc/17/48/09/1319174809.db2.gz KZWFKVJWUYXGHP-UHFFFAOYSA-N -1 1 338.766 3.051 20 10 EGCDMM Cc1ccc(SCCC(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC000916591051 1319679450 /nfs/dbraw/zinc/67/94/50/1319679450.db2.gz WQEDPFIGHGQJAC-UHFFFAOYSA-N -1 1 346.404 3.315 20 10 EGCDMM O=C(COC(=O)c1ccccc1C(F)(F)F)c1ccc([O-])c(O)c1 ZINC000916589888 1319679521 /nfs/dbraw/zinc/67/95/21/1319679521.db2.gz CJRMWGPXBPQKGI-UHFFFAOYSA-N -1 1 340.253 3.156 20 10 EGCDMM CCOc1cccc(C[N@@H+](CCO)Cc2c(O)cccc2Cl)c1 ZINC000825300053 1320325536 /nfs/dbraw/zinc/32/55/36/1320325536.db2.gz USEPENGLFFRMEV-UHFFFAOYSA-N -1 1 335.831 3.439 20 10 EGCDMM CC(C)OCc1ccccc1CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000825420994 1320336914 /nfs/dbraw/zinc/33/69/14/1320336914.db2.gz AFFXYOUBNPHLKY-UHFFFAOYSA-N -1 1 333.359 3.092 20 10 EGCDMM CC[C@@H]1C[C@H]1CNC(=O)NCc1cccc(Br)c1[O-] ZINC000836590967 1320508651 /nfs/dbraw/zinc/50/86/51/1320508651.db2.gz SZQVITOTFXMPFL-KOLCDFICSA-N -1 1 327.222 3.000 20 10 EGCDMM Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1ccc([O-])c(F)c1 ZINC000839920481 1320996150 /nfs/dbraw/zinc/99/61/50/1320996150.db2.gz PUXFCRSSFPIJRC-ZDUSSCGKSA-N -1 1 330.403 3.267 20 10 EGCDMM COCCOc1cccc(NC(=O)c2ccc(O)c([O-])c2Cl)c1 ZINC001193228978 1367972447 /nfs/dbraw/zinc/97/24/47/1367972447.db2.gz BWCKWGSKUOLLQO-UHFFFAOYSA-N -1 1 337.759 3.029 20 10 EGCDMM O=C(N[C@@H](c1ccccc1)C1(O)CCC1)c1ccc(O)c([O-])c1Cl ZINC001193246762 1367979146 /nfs/dbraw/zinc/97/91/46/1367979146.db2.gz AXRHHSYPMCAFGA-INIZCTEOSA-N -1 1 347.798 3.137 20 10 EGCDMM CC(C)CC1(NC(=O)c2ccc(O)c([O-])c2Cl)CCOCC1 ZINC001193247251 1367979533 /nfs/dbraw/zinc/97/95/33/1367979533.db2.gz QSRLTULQQPOJHQ-UHFFFAOYSA-N -1 1 327.808 3.076 20 10 EGCDMM O=S(=O)([N-]c1ccc(O)cc1)c1cccc2c(Cl)nccc21 ZINC001194455914 1368265976 /nfs/dbraw/zinc/26/59/76/1368265976.db2.gz WCISMKKZWSGTBM-UHFFFAOYSA-N -1 1 334.784 3.395 20 10 EGCDMM O=C1CCC[C@@]2(CCCN(Cc3cc(Cl)cc(Cl)c3[O-])C2)N1 ZINC001203578469 1370177092 /nfs/dbraw/zinc/17/70/92/1370177092.db2.gz NASNLKLCKPSXJZ-INIZCTEOSA-N -1 1 343.254 3.334 20 10 EGCDMM COc1nc(C)ccc1-c1noc(-c2ccc(O)c([O-])c2Cl)n1 ZINC001216954135 1373370408 /nfs/dbraw/zinc/37/04/08/1373370408.db2.gz QLHFIRVNMIOKRB-UHFFFAOYSA-N -1 1 333.731 3.180 20 10 EGCDMM CCC(=O)[C@@H](CC)Oc1c(O)c(O)ccc1C(=O)c1ccc([O-])cc1 ZINC001228111157 1375517749 /nfs/dbraw/zinc/51/77/49/1375517749.db2.gz RWVRNQZJKAPNTM-MRXNPFEDSA-N -1 1 344.363 3.171 20 10 EGCDMM [O-]c1c(Cl)cccc1CN1CCN(c2cc(Cl)ccn2)CC1 ZINC001231912476 1376350149 /nfs/dbraw/zinc/35/01/49/1376350149.db2.gz IILGRUNTXWZSPF-UHFFFAOYSA-N -1 1 338.238 3.416 20 10 EGCDMM Cc1ccc(CN2CCN(Cc3ccc(F)c(F)c3[O-])CC2)cc1 ZINC001233077352 1376563178 /nfs/dbraw/zinc/56/31/78/1376563178.db2.gz KQLSCASMXWJMNC-UHFFFAOYSA-N -1 1 332.394 3.297 20 10 EGCDMM [O-]c1cccc(F)c1CN1CCc2nc(Br)sc2C1 ZINC001137837822 1377626975 /nfs/dbraw/zinc/62/69/75/1377626975.db2.gz VZYRXXNWHKKJAN-UHFFFAOYSA-N -1 1 343.221 3.309 20 10 EGCDMM CC(C)(C)OC(=O)C1CCN(Cc2c(F)ccc(F)c2[O-])CC1 ZINC001139684466 1377933555 /nfs/dbraw/zinc/93/35/55/1377933555.db2.gz VQHWDNHYGJDYDD-UHFFFAOYSA-N -1 1 327.371 3.224 20 10 EGCDMM [O-]c1c(F)ccc(F)c1C[N@@H+]1C[C@@H]2C[C@H]1CN2Cc1ccccc1 ZINC001139684510 1377933763 /nfs/dbraw/zinc/93/37/63/1377933763.db2.gz XOAJLIZXWDQYON-GJZGRUSLSA-N -1 1 330.378 3.129 20 10 EGCDMM CN(Cc1c([O-])cc(F)cc1F)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001140583643 1378090333 /nfs/dbraw/zinc/09/03/33/1378090333.db2.gz POHLHTVJDLAIBJ-GFCCVEGCSA-N -1 1 342.386 3.112 20 10 EGCDMM CC(C)(C)OC(=O)NCC1(C)CN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001142531451 1378454430 /nfs/dbraw/zinc/45/44/30/1378454430.db2.gz XXFBEDLXWNJBPO-UHFFFAOYSA-N -1 1 342.386 3.017 20 10 EGCDMM O=C(CNc1nc(Cl)nc2ccc(F)cc21)c1ccc([O-])c(O)c1 ZINC001159272026 1381748940 /nfs/dbraw/zinc/74/89/40/1381748940.db2.gz IMYRIVLYTLSFPO-UHFFFAOYSA-N -1 1 347.733 3.128 20 10 EGCDMM CSc1ccc2ncnc(NCC(=O)c3ccc([O-])c(O)c3)c2c1 ZINC001159280215 1381749758 /nfs/dbraw/zinc/74/97/58/1381749758.db2.gz GQSFXNRBDLRNFT-UHFFFAOYSA-N -1 1 341.392 3.058 20 10 EGCDMM O=c1occ2[nH]cc(NCc3cc(Cl)c4cccnc4c3[O-])cc1-2 ZINC001168525973 1383930607 /nfs/dbraw/zinc/93/06/07/1383930607.db2.gz NOMCWFVMSKRBEW-UHFFFAOYSA-N -1 1 341.754 3.271 20 10 EGCDMM O=C(CNc1cc2c3c(c1)CCCN3CCC2)c1ccc([O-])c(O)c1 ZINC001170322130 1384290682 /nfs/dbraw/zinc/29/06/82/1384290682.db2.gz FOFKXCCIKSPLDR-UHFFFAOYSA-N -1 1 338.407 3.091 20 10 EGCDMM O=C1N[C@@H](c2cccc(F)c2[O-])Nc2ccc(Br)cc21 ZINC001337382354 1389326608 /nfs/dbraw/zinc/32/66/08/1389326608.db2.gz TXJWSFBPCBJHIW-ZDUSSCGKSA-N -1 1 337.148 3.148 20 10 EGCDMM CCN(Cc1ccc(F)cc1-c1nnn[n-]1)c1ccc(OC)cc1 ZINC000736558457 1446159891 /nfs/dbraw/zinc/15/98/91/1446159891.db2.gz LEVHFAVUVOEVLR-UHFFFAOYSA-N -1 1 327.363 3.041 20 10 EGCDMM O=C([O-])C1CC2(C1)CC[C@@H](C[NH2+]Cc1ccc3ccccc3c1[O-])O2 ZINC001594904830 954664829 /nfs/dbraw/zinc/66/48/29/954664829.db2.gz HSEKELZLPADJKA-NGEICVOHSA-N -1 1 341.407 3.047 20 10 EGCDMM O=C([O-])[C@@H]([NH2+]Cc1ccc(Br)cc1[O-])c1ccccc1 ZINC000691424773 954683807 /nfs/dbraw/zinc/68/38/07/954683807.db2.gz WYLVDPQZKVUQHH-AWEZNQCLSA-N -1 1 336.185 3.070 20 10 EGCDMM CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cc(Cl)cc(Br)c1[O-] ZINC000708071525 954990943 /nfs/dbraw/zinc/99/09/43/954990943.db2.gz NFQSCKIWOQWDTG-JTQLQIEISA-N -1 1 336.613 3.103 20 10 EGCDMM CN1CCCc2cc(CNCc3ccc(/C=C/C(=O)[O-])o3)ccc21 ZINC001598603239 993598431 /nfs/dbraw/zinc/59/84/31/993598431.db2.gz DVCCLAKAKKWZII-VQHVLOKHSA-N -1 1 326.396 3.050 20 10 EGCDMM C[C@H]([NH2+]Cc1ccc(Cl)cc1[O-])[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593298278 994712315 /nfs/dbraw/zinc/71/23/15/994712315.db2.gz HHQWEBMBIHQXMG-LRDDRELGSA-N -1 1 333.815 3.467 20 10 EGCDMM C[C@@H](NC(=O)[C@@H](C)N(C)Cc1ccccc1O)c1ccc(F)cc1 ZINC000109771288 454835867 /nfs/dbraw/zinc/83/58/67/454835867.db2.gz OHZUNJVENCOLDF-ZIAGYGMSSA-N -1 1 330.403 3.229 20 10 EGCDMM C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1c(F)ccc(O)c1[O-] ZINC000295440842 455849850 /nfs/dbraw/zinc/84/98/50/455849850.db2.gz XFOGPDITEZJICM-TZMCWYRMSA-N -1 1 329.371 3.330 20 10 EGCDMM O=C([O-])C[C@H](NCc1ccc2c(c1)CCO2)c1ccc(F)cc1F ZINC000277363115 456796213 /nfs/dbraw/zinc/79/62/13/456796213.db2.gz PZERKIQWAOVQCQ-INIZCTEOSA-N -1 1 333.334 3.205 20 10 EGCDMM CCN(CC)c1ccc(CNCc2ccc(C(=O)[O-])c(C)n2)cc1F ZINC000277501030 456846172 /nfs/dbraw/zinc/84/61/72/456846172.db2.gz XOVMLBAYRJMPBA-UHFFFAOYSA-N -1 1 345.418 3.363 20 10 EGCDMM C[C@H]1C[N@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C[C@@H]1C(=O)[O-] ZINC000828456252 601818853 /nfs/dbraw/zinc/81/88/53/601818853.db2.gz JVTYSUJLNOQNNY-AAEUAGOBSA-N -1 1 329.396 3.170 20 10 EGCDMM C[C@H]1C[N@@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C[C@@H]1C(=O)[O-] ZINC000828456252 601818855 /nfs/dbraw/zinc/81/88/55/601818855.db2.gz JVTYSUJLNOQNNY-AAEUAGOBSA-N -1 1 329.396 3.170 20 10 EGCDMM CN(C)C(=O)c1ccc(NCc2cccc(Br)c2[O-])cc1 ZINC000048795966 1291619103 /nfs/dbraw/zinc/61/91/03/1291619103.db2.gz MTFJJQURIMJGLH-UHFFFAOYSA-N -1 1 349.228 3.469 20 10 EGCDMM CC1CCN(c2ccc(CNC(=O)c3ccc(C#N)c([O-])c3)cc2)CC1 ZINC000188349774 1295453385 /nfs/dbraw/zinc/45/33/85/1295453385.db2.gz SOBHQYQOSZPHTK-UHFFFAOYSA-N -1 1 349.434 3.430 20 10 EGCDMM CCS(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)c1ccccc1F ZINC000193338122 1295853696 /nfs/dbraw/zinc/85/36/96/1295853696.db2.gz ZIGOAFNICDPQLB-UHFFFAOYSA-N -1 1 341.791 3.472 20 10 EGCDMM C[C@H](NCC(F)(F)CNC(=O)OC(C)(C)C)c1ccc(F)cc1[O-] ZINC000310054229 1297086548 /nfs/dbraw/zinc/08/65/48/1297086548.db2.gz ZCCASUDGFUDIOY-JTQLQIEISA-N -1 1 348.365 3.342 20 10 EGCDMM C[C@@H](NCc1nccn1C)c1cc(Br)cc(Cl)c1[O-] ZINC000756539893 1300517916 /nfs/dbraw/zinc/51/79/16/1300517916.db2.gz VKHYSEPCISRWIQ-MRVPVSSYSA-N -1 1 344.640 3.392 20 10 EGCDMM C[C@H](NCc1nc2cc(F)ccc2n1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756733580 1300556930 /nfs/dbraw/zinc/55/69/30/1300556930.db2.gz QTIHOWFLVICFHM-JTQLQIEISA-N -1 1 344.346 3.177 20 10 EGCDMM CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000758773139 1300953770 /nfs/dbraw/zinc/95/37/70/1300953770.db2.gz IKVAMCLMZNBJGX-UHFFFAOYSA-N -1 1 343.763 3.188 20 10 EGCDMM CC[C@@H](C)[C@@H](C)NC(=O)NCc1cccc(Br)c1[O-] ZINC000764769941 1302130875 /nfs/dbraw/zinc/13/08/75/1302130875.db2.gz XDHPVBAUSYCMNS-NXEZZACHSA-N -1 1 329.238 3.389 20 10 EGCDMM C[C@@H]1CC[C@@H](NC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000764802951 1302138864 /nfs/dbraw/zinc/13/88/64/1302138864.db2.gz AVQODRQTIFGTIN-MWLCHTKSSA-N -1 1 327.222 3.143 20 10 EGCDMM [O-]c1c(F)cc(F)cc1CNc1ccccc1CN1CCOCC1 ZINC000883056902 1302224753 /nfs/dbraw/zinc/22/47/53/1302224753.db2.gz ZDZPFNSEWXHMJS-UHFFFAOYSA-N -1 1 334.366 3.115 20 10 EGCDMM CC(=O)c1cccc(C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765727863 1302314667 /nfs/dbraw/zinc/31/46/67/1302314667.db2.gz QBBRPYCRHIVVBO-UHFFFAOYSA-N -1 1 348.196 3.287 20 10 EGCDMM O=C(NCc1cccc(Br)c1[O-])c1ccoc1Cl ZINC000765727726 1302315225 /nfs/dbraw/zinc/31/52/25/1302315225.db2.gz OISUAGYOPSUHKR-UHFFFAOYSA-N -1 1 330.565 3.331 20 10 EGCDMM O=C(NCc1cccc(Br)c1[O-])c1cc(F)ccc1F ZINC000765736076 1302315436 /nfs/dbraw/zinc/31/54/36/1302315436.db2.gz KTGMJRGTBMTDGR-UHFFFAOYSA-N -1 1 342.139 3.363 20 10 EGCDMM C[C@H](N[C@H](CCO)C(F)(F)F)c1cccc(C(F)(F)F)c1[O-] ZINC000886803267 1303603278 /nfs/dbraw/zinc/60/32/78/1303603278.db2.gz GSQHTFCSNSPJHJ-OIBJUYFYSA-N -1 1 331.256 3.375 20 10 EGCDMM CC[C@H](NCc1nnc2n1CCC2)c1ccc(Cl)c(Cl)c1[O-] ZINC000775492783 1303972776 /nfs/dbraw/zinc/97/27/76/1303972776.db2.gz RGDVIOKCINUHHI-NSHDSACASA-N -1 1 341.242 3.478 20 10 EGCDMM Cc1ccc(C(C)(C)C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC000783456061 1305094202 /nfs/dbraw/zinc/09/42/02/1305094202.db2.gz CSXITUTVKTYMFN-UHFFFAOYSA-N -1 1 328.364 3.110 20 10 EGCDMM O=C(COC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1ccc([O-])c(O)c1 ZINC000784365241 1305235565 /nfs/dbraw/zinc/23/55/65/1305235565.db2.gz FFAFKYVOHRQWON-KCQAQPDRSA-N -1 1 332.396 3.430 20 10 EGCDMM C[C@H](NC(=O)c1c(F)ccc(O)c1[O-])c1ccc(OC(F)F)cc1 ZINC000789954165 1306236214 /nfs/dbraw/zinc/23/62/14/1306236214.db2.gz DXFIHBOHHOTBJT-QMMMGPOBSA-N -1 1 341.285 3.329 20 10 EGCDMM COc1ccc(Cl)cc1CN(C)C(=O)c1c([O-])c(O)ccc1F ZINC000790069097 1306256976 /nfs/dbraw/zinc/25/69/76/1306256976.db2.gz IYUULCAPSPFOFR-UHFFFAOYSA-N -1 1 339.750 3.171 20 10 EGCDMM O=C(COC(=O)c1cccc(C2CCC2)c1)c1ccc([O-])c(O)c1 ZINC000798738516 1310435542 /nfs/dbraw/zinc/43/55/42/1310435542.db2.gz MCVXOQHWARIXCD-UHFFFAOYSA-N -1 1 326.348 3.405 20 10 EGCDMM O=[N+]([O-])c1ccc([O-])c(CNCc2ccsc2Br)c1 ZINC000800889092 1310829164 /nfs/dbraw/zinc/82/91/64/1310829164.db2.gz OSWQKKZSOGXDPW-UHFFFAOYSA-N -1 1 343.202 3.414 20 10 EGCDMM CC(C)[C@@]1(C)C[C@@H]1NC(=O)NCc1cccc(Br)c1[O-] ZINC000838767957 1320814310 /nfs/dbraw/zinc/81/43/10/1320814310.db2.gz YPLOIGHQABLDHB-SWLSCSKDSA-N -1 1 341.249 3.389 20 10 EGCDMM Cn1ncc2c1nccc2NCc1cccc(Br)c1[O-] ZINC000804654519 1317270393 /nfs/dbraw/zinc/27/03/93/1317270393.db2.gz RMKAWDLZCHVORI-UHFFFAOYSA-N -1 1 333.189 3.049 20 10 EGCDMM C[C@H]1C[C@@H]1c1nnc(NCc2cc(Br)cc(F)c2[O-])o1 ZINC000905418132 1317957454 /nfs/dbraw/zinc/95/74/54/1317957454.db2.gz FDCUYLFJBUZNGX-RCOVLWMOSA-N -1 1 342.168 3.412 20 10 EGCDMM CC[N@@H+](Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-])C[C@@H](C)OC ZINC000812303165 1318362178 /nfs/dbraw/zinc/36/21/78/1318362178.db2.gz MMKSIXQAANTRFF-CQSZACIVSA-N -1 1 343.423 3.186 20 10 EGCDMM CC[N@H+](Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-])C[C@@H](C)OC ZINC000812303165 1318362184 /nfs/dbraw/zinc/36/21/84/1318362184.db2.gz MMKSIXQAANTRFF-CQSZACIVSA-N -1 1 343.423 3.186 20 10 EGCDMM COc1ccccc1N(CCO)Cc1cc(Cl)c(F)cc1[O-] ZINC000816614285 1319195421 /nfs/dbraw/zinc/19/54/21/1319195421.db2.gz SBWXIJGDXXMJIL-UHFFFAOYSA-N -1 1 325.767 3.192 20 10 EGCDMM O=C(COC(=O)c1cc2c(s1)CCCCC2)c1ccc([O-])c(O)c1 ZINC000916608784 1319683671 /nfs/dbraw/zinc/68/36/71/1319683671.db2.gz LGGNIENHMQEBLK-UHFFFAOYSA-N -1 1 346.404 3.468 20 10 EGCDMM Cc1cc(Br)c([O-])c(C[N@@H+](CC(=O)[O-])CC(C)(C)C)c1 ZINC000854243996 1325234007 /nfs/dbraw/zinc/23/40/07/1325234007.db2.gz KXZPHFAPLLSOFK-UHFFFAOYSA-N -1 1 344.249 3.396 20 10 EGCDMM COc1c([O-])c(C[NH+]2CC(C)(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000857057853 1325564112 /nfs/dbraw/zinc/56/41/12/1325564112.db2.gz FVDSGHYAEKMENB-UHFFFAOYSA-N -1 1 328.368 3.083 20 10 EGCDMM CC(C)=CC[C@H]([NH2+]Cc1c([O-])cccc1Br)C(=O)[O-] ZINC000864529320 1329623197 /nfs/dbraw/zinc/62/31/97/1329623197.db2.gz HDZFQYNJMRDZSV-LBPRGKRZSA-N -1 1 328.206 3.054 20 10 EGCDMM COC1(C)CCN(Cc2c([O-])cc(Br)cc2F)CC1 ZINC001233026661 1376558018 /nfs/dbraw/zinc/55/80/18/1376558018.db2.gz BSSCDIJXBJBGLC-UHFFFAOYSA-N -1 1 332.213 3.295 20 10 EGCDMM O=C(NCC(=O)c1ccc([O-])c(O)c1)Nc1ccc2sccc2c1 ZINC001192469187 1367791962 /nfs/dbraw/zinc/79/19/62/1367791962.db2.gz BMXVFWMRVDMRHA-UHFFFAOYSA-N -1 1 342.376 3.317 20 10 EGCDMM O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(O)c([O-])c1Cl ZINC001193232978 1367972100 /nfs/dbraw/zinc/97/21/00/1367972100.db2.gz SSPZXACGAXRXDK-UHFFFAOYSA-N -1 1 346.770 3.130 20 10 EGCDMM CCNC(=O)OC1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC001203581944 1370178091 /nfs/dbraw/zinc/17/80/91/1370178091.db2.gz HTXHTQWVLMVCPY-UHFFFAOYSA-N -1 1 347.242 3.410 20 10 EGCDMM O=S(=O)(Nc1c(F)cc([O-])cc1F)c1cc2c(s1)CCCC2 ZINC001187214693 1388073603 /nfs/dbraw/zinc/07/36/03/1388073603.db2.gz CFJRBRMZAFREOW-UHFFFAOYSA-N -1 1 345.392 3.412 20 10 EGCDMM CC(=O)c1ccc(N2CCN(Cc3c([O-])ccc(F)c3F)CC2)cc1 ZINC001233335399 1376619618 /nfs/dbraw/zinc/61/96/18/1376619618.db2.gz SWTUDKYKLKSZKU-UHFFFAOYSA-N -1 1 346.377 3.195 20 10 EGCDMM COC(=O)c1ccc2c(c1)CN(Cc1c([O-])ccc(F)c1F)CC2 ZINC001233335453 1376619905 /nfs/dbraw/zinc/61/99/05/1376619905.db2.gz VYKVCOZPZLPYQU-UHFFFAOYSA-N -1 1 333.334 3.015 20 10 EGCDMM CC(C)(C)OC(=O)N1C[C@@H]2[C@@H]1CCCN2Cc1c([O-])cccc1F ZINC001137833234 1377625329 /nfs/dbraw/zinc/62/53/29/1377625329.db2.gz XTTNVQBDZWZNOK-LSDHHAIUSA-N -1 1 336.407 3.115 20 10 EGCDMM C[C@](O)(C1CCN(Cc2c([O-])cc(F)cc2F)CC1)C(F)(F)F ZINC001140584181 1378090182 /nfs/dbraw/zinc/09/01/82/1378090182.db2.gz HJCOXOLGNCHRKO-AWEZNQCLSA-N -1 1 339.304 3.196 20 10 EGCDMM [O-]c1c(Br)cc(Cl)cc1CN1CCCC2(COC2)C1 ZINC001141367925 1378311418 /nfs/dbraw/zinc/31/14/18/1378311418.db2.gz XEOXVGQMIKDYNX-UHFFFAOYSA-N -1 1 346.652 3.421 20 10 EGCDMM C[C@H]1C[C@@H](O)CCN1Cc1cc(Cl)cc(Br)c1[O-] ZINC001141373331 1378313424 /nfs/dbraw/zinc/31/34/24/1378313424.db2.gz YYUNDLXWBNTAGO-KWQFWETISA-N -1 1 334.641 3.153 20 10 EGCDMM [O-]c1cc(F)c(F)cc1CN1CCN(c2nc3ccccc3o2)CC1 ZINC001142520654 1378452386 /nfs/dbraw/zinc/45/23/86/1378452386.db2.gz NKLRPKTUBWNULG-UHFFFAOYSA-N -1 1 345.349 3.134 20 10 EGCDMM Cc1ncc(CN(C)Cc2cc(Br)c(F)cc2[O-])cn1 ZINC001144307938 1378715444 /nfs/dbraw/zinc/71/54/44/1378715444.db2.gz MDLYPKYNQUDXJH-UHFFFAOYSA-N -1 1 340.196 3.024 20 10 EGCDMM COc1ccc(N(C)Cc2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC000821827717 1429907253 /nfs/dbraw/zinc/90/72/53/1429907253.db2.gz JJUWLRJLBYOPJN-UHFFFAOYSA-N -1 1 329.791 3.165 20 10 EGCDMM CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)c1[O-] ZINC000849346393 979497515 /nfs/dbraw/zinc/49/75/15/979497515.db2.gz RJWUBUWYEKTWAF-ZOBUZTSGSA-N -1 1 349.402 3.199 20 10 EGCDMM CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)c1[O-] ZINC000849346393 979497518 /nfs/dbraw/zinc/49/75/18/979497518.db2.gz RJWUBUWYEKTWAF-ZOBUZTSGSA-N -1 1 349.402 3.199 20 10 EGCDMM CCN(C)c1ccc(CN2CCOc3c(cccc3C(=O)[O-])C2)cc1 ZINC001596194320 983576945 /nfs/dbraw/zinc/57/69/45/983576945.db2.gz IJYCQQKKCWZTKN-UHFFFAOYSA-N -1 1 340.423 3.236 20 10 EGCDMM CN(C)c1cc(F)c(CN(C)[C@@H](C(=O)[O-])c2ccccc2)cc1F ZINC001598305779 991261266 /nfs/dbraw/zinc/26/12/66/991261266.db2.gz NLIMMYYGZZDLQD-QGZVFWFLSA-N -1 1 334.366 3.289 20 10 EGCDMM CN(C)c1ccc(CN(Cc2cncc(C(=O)[O-])c2)C2CC2)cc1 ZINC001598318408 991315521 /nfs/dbraw/zinc/31/55/21/991315521.db2.gz ZNLJLDLBDWEWTH-UHFFFAOYSA-N -1 1 325.412 3.010 20 10 EGCDMM C[C@@H](NCc1ccc(N2CCSCC2)cc1)c1cc(C(=O)[O-])co1 ZINC001593298801 994717004 /nfs/dbraw/zinc/71/70/04/994717004.db2.gz MURDANFDOURLRU-CYBMUJFWSA-N -1 1 346.452 3.382 20 10 EGCDMM [O-]c1c(Cl)cc(Cl)cc1CN1CCS[C@H]2COCC[C@@H]21 ZINC000091856110 454481622 /nfs/dbraw/zinc/48/16/22/454481622.db2.gz YQHRCTSMHBSJDX-STQMWFEESA-N -1 1 334.268 3.405 20 10 EGCDMM CCOc1cc(C(=O)NCc2ccc(N(C)C)cc2)cc(Cl)c1[O-] ZINC000171014469 455015658 /nfs/dbraw/zinc/01/56/58/455015658.db2.gz SJTZPLYEEGWWIE-UHFFFAOYSA-N -1 1 348.830 3.440 20 10 EGCDMM O=C([O-])C1CC[NH+](Cc2c3c(ccc2[O-])oc2c3CCCC2)CC1 ZINC000740482307 576587036 /nfs/dbraw/zinc/58/70/36/576587036.db2.gz SZLJZHNGAKBBOP-UHFFFAOYSA-N -1 1 329.396 3.314 20 10 EGCDMM CC(=O)c1cc(Cl)cc(C[N@@H+](C)C2(C(=O)[O-])CCCC2)c1[O-] ZINC000825946606 604468828 /nfs/dbraw/zinc/46/88/28/604468828.db2.gz HBDGNPVGORBJCC-UHFFFAOYSA-N -1 1 325.792 3.077 20 10 EGCDMM CC(=O)c1cc(Cl)cc(C[N@H+](C)C2(C(=O)[O-])CCCC2)c1[O-] ZINC000825946606 604468831 /nfs/dbraw/zinc/46/88/31/604468831.db2.gz HBDGNPVGORBJCC-UHFFFAOYSA-N -1 1 325.792 3.077 20 10 EGCDMM Cc1nn(-c2ccc(F)cc2)c(C)c1C=C1SC(=S)[N-]C1=O ZINC000007905014 1291094361 /nfs/dbraw/zinc/09/43/61/1291094361.db2.gz AXGRMYSSQWOXNF-QPEQYQDCSA-N -1 1 333.413 3.117 20 10 EGCDMM O=C(COc1nc(-c2ccccc2Cl)no1)c1ccc([O-])c(O)c1 ZINC000132601403 1293723545 /nfs/dbraw/zinc/72/35/45/1293723545.db2.gz WDDKNFBWJGTUFB-UHFFFAOYSA-N -1 1 346.726 3.063 20 10 EGCDMM O=C(NCc1ccc(N2CCSCC2)cc1)c1ccc([O-])cc1F ZINC000181152492 1294943247 /nfs/dbraw/zinc/94/32/47/1294943247.db2.gz XCKUJRIDNCKILT-UHFFFAOYSA-N -1 1 346.427 3.015 20 10 EGCDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2)cc1C(F)(F)F ZINC000182420150 1295044993 /nfs/dbraw/zinc/04/49/93/1295044993.db2.gz YLJWPICFOKVBRC-UHFFFAOYSA-N -1 1 342.298 3.083 20 10 EGCDMM Cc1ccc(CC(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765750833 1302317746 /nfs/dbraw/zinc/31/77/46/1302317746.db2.gz LVCIFKONZIWSGX-UHFFFAOYSA-N -1 1 334.213 3.322 20 10 EGCDMM O=C(NCc1cccc(Br)c1[O-])c1cccnc1C1CC1 ZINC000765769329 1302321701 /nfs/dbraw/zinc/32/17/01/1302321701.db2.gz LNMKNXFSYQYYIS-UHFFFAOYSA-N -1 1 347.212 3.357 20 10 EGCDMM O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc([O-])c(F)c1 ZINC000767873139 1302775359 /nfs/dbraw/zinc/77/53/59/1302775359.db2.gz AIPXINVSDJIINK-UHFFFAOYSA-N -1 1 328.387 3.452 20 10 EGCDMM COc1c([O-])c(C[NH2+]Cc2ccc([C@@H]3C[C@H]3C)o2)ccc1[N+](=O)[O-] ZINC000774974979 1303884868 /nfs/dbraw/zinc/88/48/68/1303884868.db2.gz GPTQVDHYDYELKS-ZWNOBZJWSA-N -1 1 332.356 3.315 20 10 EGCDMM [O-]c1c(Cl)cc(Cl)cc1CN1CCC(O)(C(F)F)CC1 ZINC000779207342 1304542390 /nfs/dbraw/zinc/54/23/90/1304542390.db2.gz SJTZRWQDFRHAOM-UHFFFAOYSA-N -1 1 326.170 3.291 20 10 EGCDMM NC(=O)N1CCCc2ccc(NCc3cccc(Cl)c3[O-])cc21 ZINC000787316492 1305730611 /nfs/dbraw/zinc/73/06/11/1305730611.db2.gz TZWAUEOZQMAFCM-UHFFFAOYSA-N -1 1 331.803 3.489 20 10 EGCDMM CCO[C@H]1C[C@H](NC(=O)c2c(F)ccc(O)c2[O-])C12CCCCC2 ZINC000789987230 1306242667 /nfs/dbraw/zinc/24/26/67/1306242667.db2.gz QDWAKQMYIWGWCM-KBPBESRZSA-N -1 1 337.391 3.095 20 10 EGCDMM CC1(C)CN(Cc2cc(Cl)cc(Br)c2[O-])C[C@@H]1O ZINC000894595913 1308970834 /nfs/dbraw/zinc/97/08/34/1308970834.db2.gz LPWMHYJZZVTMQW-NSHDSACASA-N -1 1 334.641 3.011 20 10 EGCDMM C[C@H]1CC[C@H](CNC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000793276336 1309337169 /nfs/dbraw/zinc/33/71/69/1309337169.db2.gz WPCAEYPJSHMUMO-QWRGUYRKSA-N -1 1 341.249 3.390 20 10 EGCDMM COc1cc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)ccc1O ZINC000808111303 1317625748 /nfs/dbraw/zinc/62/57/48/1317625748.db2.gz KSKWMYFQZLPBPJ-UHFFFAOYSA-N -1 1 329.324 3.139 20 10 EGCDMM Cc1cc(C)c(C(=O)NCc2cccc(Br)c2[O-])c(C)n1 ZINC000907757789 1318255661 /nfs/dbraw/zinc/25/56/61/1318255661.db2.gz KJPAVOBBVFCGEG-UHFFFAOYSA-N -1 1 349.228 3.405 20 10 EGCDMM CC(=O)N[C@H]1Cc2ccccc2N(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816566184 1319184356 /nfs/dbraw/zinc/18/43/56/1319184356.db2.gz NOOHNXVZSHLADI-AWEZNQCLSA-N -1 1 348.805 3.252 20 10 EGCDMM Cc1ccc(C)c(SCC(=O)OCC(=O)c2ccc([O-])c(O)c2)c1 ZINC000916589932 1319680566 /nfs/dbraw/zinc/68/05/66/1319680566.db2.gz JTZABFVTAVZNBT-UHFFFAOYSA-N -1 1 346.404 3.233 20 10 EGCDMM O=C(NCC1=CCCC1)NCc1cccc(Br)c1[O-] ZINC000852632974 1323221198 /nfs/dbraw/zinc/22/11/98/1323221198.db2.gz MHFGWTGNDRCCOA-UHFFFAOYSA-N -1 1 325.206 3.064 20 10 EGCDMM C[N@H+](Cc1c(O)cccc1Br)[C@H](CO)c1ccccc1 ZINC000862384312 1329480834 /nfs/dbraw/zinc/48/08/34/1329480834.db2.gz UZIHWRHPODMIPT-OAHLLOKOSA-N -1 1 336.229 3.320 20 10 EGCDMM [O-]c1cc(Br)cc(F)c1CN1CC[C@]2(CCCO2)C1 ZINC001233029005 1376557935 /nfs/dbraw/zinc/55/79/35/1376557935.db2.gz XSCAZWHMWLXVJQ-CQSZACIVSA-N -1 1 330.197 3.049 20 10 EGCDMM [O-]c1cc(Br)cc(F)c1CN1C[C@H]2[C@H](CC2(F)F)C1 ZINC001233028209 1376557970 /nfs/dbraw/zinc/55/79/70/1376557970.db2.gz KLNNRSWWAOLGMM-XCBNKYQSSA-N -1 1 336.151 3.381 20 10 EGCDMM O=C(NCc1ccccc1O)c1ccccc1C(=O)c1ccc([O-])cc1 ZINC001191510093 1367517006 /nfs/dbraw/zinc/51/70/06/1367517006.db2.gz NRMYKUOQDJAVJU-UHFFFAOYSA-N -1 1 347.370 3.259 20 10 EGCDMM CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc([O-])cnc1Cl ZINC001195308921 1368418071 /nfs/dbraw/zinc/41/80/71/1368418071.db2.gz MFEWUSLUJIAYLJ-UHFFFAOYSA-N -1 1 333.819 3.169 20 10 EGCDMM [O-]c1c(Cl)cc(Cl)cc1CN1CC[C@H](Oc2cnccn2)C1 ZINC001203585335 1370179031 /nfs/dbraw/zinc/17/90/31/1370179031.db2.gz HDJJFFVULRBNFI-LBPRGKRZSA-N -1 1 340.210 3.142 20 10 EGCDMM C[C@H]1CN(Cc2cc(C(=O)[O-])ccc2O)[C@@H](c2ccccc2)CO1 ZINC001231568650 1376266808 /nfs/dbraw/zinc/26/68/08/1376266808.db2.gz PGHCAGFUTGRGIG-SUMWQHHRSA-N -1 1 327.380 3.052 20 10 EGCDMM COc1ccc(N2CCN(Cc3ccc(Cl)c([O-])c3)CC2)cc1 ZINC001231732945 1376307651 /nfs/dbraw/zinc/30/76/51/1376307651.db2.gz KIVZSUPGBLTUFH-UHFFFAOYSA-N -1 1 332.831 3.376 20 10 EGCDMM O=C(Nc1ccccc1)[C@@H]1CCCN1Cc1c([O-])ccc(F)c1F ZINC001233336333 1376618391 /nfs/dbraw/zinc/61/83/91/1376618391.db2.gz IHJNIJMYPULQBH-HNNXBMFYSA-N -1 1 332.350 3.274 20 10 EGCDMM O=C(c1ccccc1)c1cc(Cl)ccc1[N-]S(=O)(=O)C1CC1 ZINC001259269594 1377122718 /nfs/dbraw/zinc/12/27/18/1377122718.db2.gz HWCVWWFLJCDVBO-UHFFFAOYSA-N -1 1 335.812 3.475 20 10 EGCDMM Cc1cc(=O)oc2c1ccc([O-])c2CN1CCC(=O)[C@@H]2CCCC[C@H]21 ZINC001139126253 1377833857 /nfs/dbraw/zinc/83/38/57/1377833857.db2.gz CTSXJAVQWOADHI-GDBMZVCRSA-N -1 1 341.407 3.141 20 10 EGCDMM [O-]c1c(Br)cc(Cl)cc1CN1CCCC[C@H]1CO ZINC001141366343 1378311268 /nfs/dbraw/zinc/31/12/68/1378311268.db2.gz NXHVBMABMYDRCJ-NSHDSACASA-N -1 1 334.641 3.155 20 10 EGCDMM COc1ccc2c(C)cc(NCC(=O)c3ccc([O-])c(O)c3)nc2c1 ZINC001159279016 1381749667 /nfs/dbraw/zinc/74/96/67/1381749667.db2.gz IQRUMBQPKOQYEK-UHFFFAOYSA-N -1 1 338.363 3.258 20 10 EGCDMM Cc1cccc2c(Cl)nnc(NCC(=O)c3ccc([O-])c(O)c3)c12 ZINC001159277725 1381750370 /nfs/dbraw/zinc/75/03/70/1381750370.db2.gz WYQFAUWVJDTTOZ-UHFFFAOYSA-N -1 1 343.770 3.298 20 10 EGCDMM CCOc1ccc2cc(NCC(=O)c3ccc([O-])c(O)c3)cnc2c1 ZINC001170323029 1384290574 /nfs/dbraw/zinc/29/05/74/1384290574.db2.gz UIDJDLALJMQBPW-UHFFFAOYSA-N -1 1 338.363 3.340 20 10 EGCDMM O=C([O-])C1CC2(C1)CC[C@H](C[NH2+]Cc1ccc3ccccc3c1[O-])O2 ZINC001594904829 954665208 /nfs/dbraw/zinc/66/52/08/954665208.db2.gz HSEKELZLPADJKA-LFDOHDQPSA-N -1 1 341.407 3.047 20 10 EGCDMM C[C@H](C(=O)[O-])[N@@H+](Cc1cc(Br)cc(F)c1[O-])C1CCC1 ZINC001589487242 987045432 /nfs/dbraw/zinc/04/54/32/987045432.db2.gz WATSBLQUTAEVSU-MRVPVSSYSA-N -1 1 346.196 3.121 20 10 EGCDMM C[C@H](NC(=O)[C@H](C)N(C)Cc1ccccc1O)c1ccc(F)cc1 ZINC000109771290 454835570 /nfs/dbraw/zinc/83/55/70/454835570.db2.gz OHZUNJVENCOLDF-KBPBESRZSA-N -1 1 330.403 3.229 20 10 EGCDMM COC[C@@H](C)n1c(C)cc(C(=O)C[N@@H+](C)Cc2ccccc2O)c1C ZINC000111235724 454858756 /nfs/dbraw/zinc/85/87/56/454858756.db2.gz ZMPHALXMNMOTST-OAHLLOKOSA-N -1 1 344.455 3.333 20 10 EGCDMM Cc1ncsc1CN(C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000179426708 455047268 /nfs/dbraw/zinc/04/72/68/455047268.db2.gz YDAFFRNZYUFIQD-UHFFFAOYSA-N -1 1 327.793 3.351 20 10 EGCDMM Oc1ccc(Cl)c(F)c1C[NH2+]Cc1cccnc1-n1cccn1 ZINC000190750309 455377784 /nfs/dbraw/zinc/37/77/84/455377784.db2.gz MLPLQJRVYPWIAA-UHFFFAOYSA-N -1 1 332.766 3.055 20 10 EGCDMM O=C(NCc1cccc(Br)c1[O-])NC1CCCCC1 ZINC000277349067 456789562 /nfs/dbraw/zinc/78/95/62/456789562.db2.gz AKSVMKQDGJLDEP-UHFFFAOYSA-N -1 1 327.222 3.287 20 10 EGCDMM COc1ccc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)c2ccccc12 ZINC000728697214 574767265 /nfs/dbraw/zinc/76/72/65/574767265.db2.gz KYFJYZMPPCVWQS-QGOAFFKASA-N -1 1 344.370 3.310 20 10 EGCDMM C[C@@H]1[C@@H](C)[S@@](=O)CC[N@@H+]1Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000736591823 575988019 /nfs/dbraw/zinc/98/80/19/575988019.db2.gz BAKNQDHKOXVYBC-FPJCUDJDSA-N -1 1 347.480 3.359 20 10 EGCDMM O=C([O-])CC1([NH2+]Cc2cc(Br)ccc2[O-])CCCCC1 ZINC000833206362 601562331 /nfs/dbraw/zinc/56/23/31/601562331.db2.gz RTBNEHRRJXYZMW-UHFFFAOYSA-N -1 1 342.233 3.422 20 10 EGCDMM Cc1c(NCc2cc(Cl)cc(F)c2[O-])cccc1-c1nn[nH]n1 ZINC000826242275 609486210 /nfs/dbraw/zinc/48/62/10/609486210.db2.gz IDIYIUMGWVPNOD-UHFFFAOYSA-N -1 1 333.754 3.285 20 10 EGCDMM O=C1COc2ccc(NCc3cccc(Br)c3[O-])cc2N1 ZINC000048795087 1291619365 /nfs/dbraw/zinc/61/93/65/1291619365.db2.gz ZZKPOOSKNAKKJH-UHFFFAOYSA-N -1 1 349.184 3.098 20 10 EGCDMM CC(=O)c1cc(Cl)cc(C[N@@H+](CCO)Cc2ccccc2)c1O ZINC000122142490 1293402227 /nfs/dbraw/zinc/40/22/27/1293402227.db2.gz KQRHMQTXPGFNRH-UHFFFAOYSA-N -1 1 333.815 3.243 20 10 EGCDMM [O-]c1c(Br)cccc1CNc1cccc(-n2ccnn2)c1 ZINC000136820392 1293824140 /nfs/dbraw/zinc/82/41/40/1293824140.db2.gz JWILGIKVCGZOAU-UHFFFAOYSA-N -1 1 345.200 3.348 20 10 EGCDMM O=C1[N-]C(=S)S/C1=C/c1ccc(OCC(F)(F)F)c(F)c1 ZINC000183936774 1295159655 /nfs/dbraw/zinc/15/96/55/1295159655.db2.gz NMAIEPNBBMQNKJ-RUDMXATFSA-N -1 1 337.319 3.256 20 10 EGCDMM O=C(NCc1cccc(Br)c1[O-])c1cc(Cl)c[nH]1 ZINC000765752907 1302317922 /nfs/dbraw/zinc/31/79/22/1302317922.db2.gz JTGHFCBDPCAAAA-UHFFFAOYSA-N -1 1 329.581 3.066 20 10 EGCDMM O=C(OCC(=O)c1ccc([O-])c(O)c1)c1cc2cc(F)ccc2s1 ZINC000782086410 1304914081 /nfs/dbraw/zinc/91/40/81/1304914081.db2.gz KWCSZDZFUNHUJA-UHFFFAOYSA-N -1 1 346.335 3.491 20 10 EGCDMM C[C@@H](CCc1ccccc1F)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783927602 1305163542 /nfs/dbraw/zinc/16/35/42/1305163542.db2.gz MSAYOCLZBUZJKN-LBPRGKRZSA-N -1 1 346.354 3.232 20 10 EGCDMM CCO[C@H]1C[C@@H](NC(=O)c2c(F)ccc(O)c2[O-])C12CCCCC2 ZINC000789987231 1306243330 /nfs/dbraw/zinc/24/33/30/1306243330.db2.gz QDWAKQMYIWGWCM-KGLIPLIRSA-N -1 1 337.391 3.095 20 10 EGCDMM O=S(=O)([N-]c1ccc(O)cc1)c1ccc(C(F)(F)F)c(F)c1 ZINC000790337524 1306304778 /nfs/dbraw/zinc/30/47/78/1306304778.db2.gz AGKPRDNAEVPDQK-UHFFFAOYSA-N -1 1 335.278 3.351 20 10 EGCDMM [O-]c1c(Br)cc(Cl)cc1CN1CC([C@@H]2CCOC2)C1 ZINC000894604244 1308975132 /nfs/dbraw/zinc/97/51/32/1308975132.db2.gz KULQXGQVJYLPKF-SECBINFHSA-N -1 1 346.652 3.276 20 10 EGCDMM O=C(NCc1cccc(Br)c1[O-])Nc1cncc(F)c1 ZINC000799233456 1310516037 /nfs/dbraw/zinc/51/60/37/1310516037.db2.gz CQUSDVBCFCSYFK-UHFFFAOYSA-N -1 1 340.152 3.011 20 10 EGCDMM O=[N+]([O-])c1cc(Cl)cc(CNc2cnccc2-n2cccn2)c1[O-] ZINC000809631376 1317852181 /nfs/dbraw/zinc/85/21/81/1317852181.db2.gz FAZNTBJKDASOGD-UHFFFAOYSA-N -1 1 345.746 3.147 20 10 EGCDMM CC(=O)c1cc(F)cc(C[NH2+][C@H](C(=O)[O-])c2cccc(C)c2C)c1[O-] ZINC000905395959 1317954145 /nfs/dbraw/zinc/95/41/45/1317954145.db2.gz RAOIEBSZVJTALU-KRWDZBQOSA-N -1 1 345.370 3.266 20 10 EGCDMM C[C@@H]1C[C@H]1c1nnc(NCc2cc(Br)cc(F)c2[O-])o1 ZINC000905418124 1317957636 /nfs/dbraw/zinc/95/76/36/1317957636.db2.gz FDCUYLFJBUZNGX-HZGVNTEJSA-N -1 1 342.168 3.412 20 10 EGCDMM CCc1nc(C(C)C)ccc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000815353834 1318971004 /nfs/dbraw/zinc/97/10/04/1318971004.db2.gz RKVYQMNXOZUFLI-UHFFFAOYSA-N -1 1 343.379 3.218 20 10 EGCDMM Cc1cc(Br)cc(C[N@H+]2C[C@@H](C)C[C@H](C(=O)[O-])C2)c1O ZINC000817881702 1319452374 /nfs/dbraw/zinc/45/23/74/1319452374.db2.gz MTNLIZCQRVIYIE-CABZTGNLSA-N -1 1 342.233 3.006 20 10 EGCDMM O=C(NCc1cccc(Br)c1[O-])N[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000838777677 1320815640 /nfs/dbraw/zinc/81/56/40/1320815640.db2.gz TXPFLEXGBYYESA-CDMKHQONSA-N -1 1 339.233 3.143 20 10 EGCDMM CC1(C)C[C@@H](NC(=O)c2c(F)ccc(O)c2[O-])c2cc(F)ccc2O1 ZINC000846658564 1321799396 /nfs/dbraw/zinc/79/93/96/1321799396.db2.gz KCWWMADBOFRRTO-GFCCVEGCSA-N -1 1 349.333 3.408 20 10 EGCDMM C[C@H](NCc1nnn(C(C)(C)C)n1)c1cc(Cl)c(Cl)cc1[O-] ZINC000848561266 1321976660 /nfs/dbraw/zinc/97/66/60/1321976660.db2.gz TWJBGDACDKSMHX-QMMMGPOBSA-N -1 1 344.246 3.291 20 10 EGCDMM CN(C)c1cc(F)c(CN[C@@H](C(=O)[O-])c2ccsc2)cc1F ZINC000864510542 1329620280 /nfs/dbraw/zinc/62/02/80/1329620280.db2.gz XACNUIBHMGGZLY-CQSZACIVSA-N -1 1 326.368 3.008 20 10 EGCDMM COC[C@@H]1CCCCN1Cc1c([O-])cc(Br)cc1F ZINC001233028940 1376556943 /nfs/dbraw/zinc/55/69/43/1376556943.db2.gz WGCSHMDDUOKMFI-NSHDSACASA-N -1 1 332.213 3.295 20 10 EGCDMM O=C(Nc1ccc(-n2ccnc2)cc1)c1ccc(O)c([O-])c1Cl ZINC001193209366 1367967174 /nfs/dbraw/zinc/96/71/74/1367967174.db2.gz JAUYUGJEEPRZKF-UHFFFAOYSA-N -1 1 329.743 3.189 20 10 EGCDMM O=C(Nc1c[nH]c(=O)c(C(F)(F)F)c1)c1ccc(O)c([O-])c1Cl ZINC001193219333 1367969461 /nfs/dbraw/zinc/96/94/61/1367969461.db2.gz FZLJNOMLSVRMAJ-UHFFFAOYSA-N -1 1 348.664 3.123 20 10 EGCDMM O=C(Nc1cn2c(cccc2Cl)n1)c1ccc(O)c([O-])c1Cl ZINC001193219408 1367969936 /nfs/dbraw/zinc/96/99/36/1367969936.db2.gz HFEGVJAUYGLBBV-UHFFFAOYSA-N -1 1 338.150 3.305 20 10 EGCDMM CN(CCC(=O)c1ccccc1)C(=O)c1ccc(O)c([O-])c1Cl ZINC001193225816 1367971035 /nfs/dbraw/zinc/97/10/35/1367971035.db2.gz SNXINJXGYHGCTJ-UHFFFAOYSA-N -1 1 333.771 3.096 20 10 EGCDMM C[C@H]1CN(C(=O)c2ccc(O)c([O-])c2Cl)[C@@H](c2ccccc2)CO1 ZINC001193233427 1367972857 /nfs/dbraw/zinc/97/28/57/1367972857.db2.gz YKWIEJYITQDZJY-SMDDNHRTSA-N -1 1 347.798 3.353 20 10 EGCDMM [O-]c1c(Cl)cc(Cl)cc1CN1CC[C@H](Oc2ncccn2)C1 ZINC001203586977 1370179527 /nfs/dbraw/zinc/17/95/27/1370179527.db2.gz XQFFVDDSJXBGAN-LBPRGKRZSA-N -1 1 340.210 3.142 20 10 EGCDMM COc1ccc(N2CCN(Cc3ccc(F)c([O-])c3F)CC2)cc1 ZINC001232933286 1376538202 /nfs/dbraw/zinc/53/82/02/1376538202.db2.gz GQRFHKQXXBRVCO-UHFFFAOYSA-N -1 1 334.366 3.001 20 10 EGCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@@H]1CCCC2(C1)OCCO2 ZINC001233495441 1376655680 /nfs/dbraw/zinc/65/56/80/1376655680.db2.gz GJBPOWKEKSPOKT-GFCCVEGCSA-N -1 1 336.384 3.145 20 10 EGCDMM [O-]c1cccc(F)c1CN1CC[C@H](N2CCCCC2)C(F)(F)C1 ZINC001137841856 1377628461 /nfs/dbraw/zinc/62/84/61/1377628461.db2.gz XTSHCQOEGVQLTC-INIZCTEOSA-N -1 1 328.378 3.227 20 10 EGCDMM Cc1cccnc1O[C@H]1CCCN(Cc2c(F)ccc(F)c2[O-])C1 ZINC001139688781 1377935162 /nfs/dbraw/zinc/93/51/62/1377935162.db2.gz ADVJETXVEWIZFJ-ZDUSSCGKSA-N -1 1 334.366 3.417 20 10 EGCDMM Cc1cccnc1O[C@@H]1CCC[N@@H+](Cc2c([O-])cc(F)cc2F)C1 ZINC001140585588 1378090367 /nfs/dbraw/zinc/09/03/67/1378090367.db2.gz PBBZQXPFYHBRNJ-CQSZACIVSA-N -1 1 334.366 3.417 20 10 EGCDMM C[C@@H]1CN(Cc2cc(F)c(F)cc2[O-])CCN1C(=O)OC(C)(C)C ZINC001142508802 1378451128 /nfs/dbraw/zinc/45/11/28/1378451128.db2.gz LXUPFVLVRZDPKH-LLVKDONJSA-N -1 1 342.386 3.112 20 10 EGCDMM O=C(Nc1ccc2ccncc2c1)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155228373 1380426821 /nfs/dbraw/zinc/42/68/21/1380426821.db2.gz MXQFDEHBZLLDKX-UHFFFAOYSA-N -1 1 348.314 3.005 20 10 EGCDMM C[C@H]1C[C@H](NC(=O)c2cc3cc(O)c([O-])cc3oc2=O)CC(C)(C)C1 ZINC001155235009 1380427512 /nfs/dbraw/zinc/42/75/12/1380427512.db2.gz VOSIPEJYXDELMU-JQWIXIFHSA-N -1 1 345.395 3.149 20 10 EGCDMM COc1ccc2nc(NCC(=O)c3ccc([O-])c(O)c3)cc(C)c2c1 ZINC001159277759 1381750040 /nfs/dbraw/zinc/75/00/40/1381750040.db2.gz YRCTZKUNMMDPDT-UHFFFAOYSA-N -1 1 338.363 3.258 20 10 EGCDMM CC(C)(C)c1nc(Cl)cc(NCC(=O)c2ccc([O-])c(O)c2)n1 ZINC001170316224 1384289260 /nfs/dbraw/zinc/28/92/60/1384289260.db2.gz OJEOICBOIRCQJS-UHFFFAOYSA-N -1 1 335.791 3.134 20 10 EGCDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H]1CCC[C@@H](F)C1 ZINC001332094461 1389979765 /nfs/dbraw/zinc/97/97/65/1389979765.db2.gz RVJAONMHGBUVDM-GHMZBOCLSA-N -1 1 345.212 3.235 20 10 EGCDMM CC[C@@]1(C(=O)[O-])CCC[N@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000700994269 968983232 /nfs/dbraw/zinc/98/32/32/968983232.db2.gz WVYYGSJTUPIWOR-OAHLLOKOSA-N -1 1 342.233 3.232 20 10 EGCDMM CC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000700994269 968983242 /nfs/dbraw/zinc/98/32/42/968983242.db2.gz WVYYGSJTUPIWOR-OAHLLOKOSA-N -1 1 342.233 3.232 20 10 EGCDMM CCc1nocc1CN(C)Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC001597756583 989174182 /nfs/dbraw/zinc/17/41/82/989174182.db2.gz NJLIGRBBQBGRHM-UHFFFAOYSA-N -1 1 340.379 3.426 20 10 EGCDMM CN(C)c1ccc(-c2nc(-c3ccc([O-])c(C(N)=O)c3)cs2)cc1 ZINC000008042127 453153433 /nfs/dbraw/zinc/15/34/33/453153433.db2.gz GVSNFIBDXYQAKV-UHFFFAOYSA-N -1 1 339.420 3.348 20 10 EGCDMM CCN(Cc1cccc(F)c1)C(=O)CN(C)Cc1ccccc1O ZINC000109772428 454835712 /nfs/dbraw/zinc/83/57/12/454835712.db2.gz WNNGDDBDPMBXAK-UHFFFAOYSA-N -1 1 330.403 3.012 20 10 EGCDMM C[C@H](NCc1nnc2n1CCCC2)c1ccc(Cl)c(Cl)c1[O-] ZINC000183842745 455332505 /nfs/dbraw/zinc/33/25/05/455332505.db2.gz YSQULJITRBFRAD-VIFPVBQESA-N -1 1 341.242 3.478 20 10 EGCDMM O=C(c1c(F)ccc(O)c1[O-])N1CCC(OCc2ccccc2)CC1 ZINC000295846063 455861496 /nfs/dbraw/zinc/86/14/96/455861496.db2.gz WCRQWQQYQBBPMB-UHFFFAOYSA-N -1 1 345.370 3.058 20 10 EGCDMM O=C(c1c(F)ccc(O)c1[O-])N1CC[C@@H](CSc2ccccc2)C1 ZINC000276617398 456532799 /nfs/dbraw/zinc/53/27/99/456532799.db2.gz QFNAHKRUOIKCLC-GFCCVEGCSA-N -1 1 347.411 3.491 20 10 EGCDMM CC(=O)c1cc(F)cc(CN(C)Cc2ccc(C(=O)[O-])cc2)c1O ZINC000825946714 601149561 /nfs/dbraw/zinc/14/95/61/601149561.db2.gz NDCZESCDYDWWKX-UHFFFAOYSA-N -1 1 331.343 3.064 20 10 EGCDMM CC[C@]([NH2+]Cc1cc(F)cc(C(C)=O)c1[O-])(C(=O)[O-])c1ccccc1 ZINC000828988833 601151198 /nfs/dbraw/zinc/15/11/98/601151198.db2.gz GNCQZRUJBUOSDR-LJQANCHMSA-N -1 1 345.370 3.214 20 10 EGCDMM CC(=O)c1cc(F)cc(C[NH2+][C@H](c2ccccc2)[C@@H](C)C(=O)[O-])c1[O-] ZINC000825946845 601654106 /nfs/dbraw/zinc/65/41/06/601654106.db2.gz STNWPLZLIIKCAR-DIFFPNOSSA-N -1 1 345.370 3.286 20 10 EGCDMM CC(=O)c1cc(Cl)cc(C[NH+]2CCC(CCC(=O)[O-])CC2)c1[O-] ZINC000825946749 601841883 /nfs/dbraw/zinc/84/18/83/601841883.db2.gz OLSJFPHWPBZKKA-UHFFFAOYSA-N -1 1 339.819 3.325 20 10 EGCDMM CS(=O)(=O)Nc1ccc(NCc2cccc(Cl)c2[O-])cc1 ZINC000158056449 1294194985 /nfs/dbraw/zinc/19/49/85/1294194985.db2.gz RVAYRDINYVGFBJ-UHFFFAOYSA-N -1 1 326.805 3.029 20 10 EGCDMM O=C1[N-]C(=S)S/C1=C/c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000171880212 1294421467 /nfs/dbraw/zinc/42/14/67/1294421467.db2.gz BKPYIENJUNLTQL-BJMVGYQFSA-N -1 1 349.418 3.207 20 10 EGCDMM COC[C@@H](NCc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccco1 ZINC000177577742 1294677725 /nfs/dbraw/zinc/67/77/25/1294677725.db2.gz NKZJNPUFLKLNCA-LLVKDONJSA-N -1 1 326.736 3.024 20 10 EGCDMM C[C@@H](Nc1ccc(CS(C)(=O)=O)cc1)c1cc(F)cc(F)c1[O-] ZINC000756831953 1300573613 /nfs/dbraw/zinc/57/36/13/1300573613.db2.gz QEDAZOWKWOTWRY-SNVBAGLBSA-N -1 1 341.379 3.388 20 10 EGCDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc(O)c(C)c2)c1 ZINC000758165275 1300797810 /nfs/dbraw/zinc/79/78/10/1300797810.db2.gz XBGIRKCBLATBFM-UHFFFAOYSA-N -1 1 336.369 3.026 20 10 EGCDMM Cc1ccc(CNC(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000764745401 1302126295 /nfs/dbraw/zinc/12/62/95/1302126295.db2.gz KHRZJMCVIPJAQJ-UHFFFAOYSA-N -1 1 349.228 3.463 20 10 EGCDMM Cc1cccc(NC(=O)NCc2cccc(Br)c2[O-])n1 ZINC000765341192 1302249533 /nfs/dbraw/zinc/24/95/33/1302249533.db2.gz ABAAAHCVXSUCPK-UHFFFAOYSA-N -1 1 336.189 3.180 20 10 EGCDMM CCS(=O)(=O)Cc1ccc(NCc2cc(F)cc(F)c2[O-])cc1 ZINC000883140305 1302268078 /nfs/dbraw/zinc/26/80/78/1302268078.db2.gz PICZIXRCWWWMTQ-UHFFFAOYSA-N -1 1 341.379 3.217 20 10 EGCDMM C[C@H](CC(=O)NCc1cccc(Br)c1[O-])c1ccncc1 ZINC000765752540 1302318846 /nfs/dbraw/zinc/31/88/46/1302318846.db2.gz XFASIJIXMNCGPJ-LLVKDONJSA-N -1 1 349.228 3.360 20 10 EGCDMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(C)=O)cc1C ZINC000766048934 1302378200 /nfs/dbraw/zinc/37/82/00/1302378200.db2.gz XQNZWMFURNSJGT-UHFFFAOYSA-N -1 1 349.408 3.103 20 10 EGCDMM COc1ccc2c(c1)C(=O)N(C1CC1)[C@H](c1cc(F)cc(F)c1[O-])N2 ZINC000887328435 1303745590 /nfs/dbraw/zinc/74/55/90/1303745590.db2.gz XRMPVTICXKMYCQ-QGZVFWFLSA-N -1 1 346.333 3.408 20 10 EGCDMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775410278 1303959215 /nfs/dbraw/zinc/95/92/15/1303959215.db2.gz KMQGYJQCZFZGPH-LBPRGKRZSA-N -1 1 342.443 3.171 20 10 EGCDMM Cc1cc(Br)c([O-])c(CN2CCOC[C@H]2C2CC2)c1 ZINC000781908625 1304889829 /nfs/dbraw/zinc/88/98/29/1304889829.db2.gz KPTANTUORIJYPY-AWEZNQCLSA-N -1 1 326.234 3.074 20 10 EGCDMM O=C(COC(=O)C1(c2cccc(Cl)c2)CC1)c1ccc([O-])c(O)c1 ZINC000783002134 1305035979 /nfs/dbraw/zinc/03/59/79/1305035979.db2.gz ULIGSKFLCFFFIN-UHFFFAOYSA-N -1 1 346.766 3.209 20 10 EGCDMM CC(C)(C(=O)OCC(=O)c1ccc([O-])c(O)c1)c1cccc(Cl)c1 ZINC000783732146 1305134543 /nfs/dbraw/zinc/13/45/43/1305134543.db2.gz GWSCRMFQHGKCRY-UHFFFAOYSA-N -1 1 348.782 3.455 20 10 EGCDMM O=C(COC(=O)[C@H]1CCCc2sccc21)c1ccc([O-])c(O)c1 ZINC000784282587 1305220991 /nfs/dbraw/zinc/22/09/91/1305220991.db2.gz YPRIACKUYJIELJ-LBPRGKRZSA-N -1 1 332.377 3.005 20 10 EGCDMM C[C@H]1CCC[C@@H]1CNC(=O)NCc1cccc(Br)c1[O-] ZINC000798511104 1310375376 /nfs/dbraw/zinc/37/53/76/1310375376.db2.gz FXXRUMCJUKLWGG-WDEREUQCSA-N -1 1 341.249 3.390 20 10 EGCDMM Cc1nnc(NCc2cc(Br)cc(F)c2[O-])n1C1CC1 ZINC000905413371 1317956855 /nfs/dbraw/zinc/95/68/55/1317956855.db2.gz PTTDAQQZHOAWAH-UHFFFAOYSA-N -1 1 341.184 3.141 20 10 EGCDMM CC(C)c1ccccc1OCC(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000916594120 1319681097 /nfs/dbraw/zinc/68/10/97/1319681097.db2.gz ROHKPRFJFCRWBD-UHFFFAOYSA-N -1 1 344.363 3.026 20 10 EGCDMM CC(C)(C)Oc1ccc(CNC(=O)c2c(F)ccc(O)c2[O-])cc1 ZINC000825550007 1320346998 /nfs/dbraw/zinc/34/69/98/1320346998.db2.gz XGBDSJGSNDNUSZ-UHFFFAOYSA-N -1 1 333.359 3.344 20 10 EGCDMM CC1(C)C[C@H](NC(=O)c2c(F)ccc(O)c2[O-])c2ccc(F)cc2O1 ZINC000827035287 1320422212 /nfs/dbraw/zinc/42/22/12/1320422212.db2.gz NSYFGLDOZBKEOJ-LBPRGKRZSA-N -1 1 349.333 3.408 20 10 EGCDMM O=C(COC(=O)[C@H]1CCC[C@H]1c1ccccc1)c1ccc([O-])c(O)c1 ZINC000837866845 1320697524 /nfs/dbraw/zinc/69/75/24/1320697524.db2.gz XQXDRKMWTCCVBA-HOTGVXAUSA-N -1 1 340.375 3.408 20 10 EGCDMM CCOC(=O)c1cnc(C(C)=Cc2ccc(N(C)C)cc2C)[n-]c1=O ZINC000840719942 1321134500 /nfs/dbraw/zinc/13/45/00/1321134500.db2.gz KDZGJAATPJHCDS-UKTHLTGXSA-N -1 1 341.411 3.294 20 10 EGCDMM CC(=O)c1cc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2)ccc1O ZINC001185524219 1387738044 /nfs/dbraw/zinc/73/80/44/1387738044.db2.gz DZDOVUSXZWJFSK-UHFFFAOYSA-N -1 1 339.800 3.357 20 10 EGCDMM CCc1oc2ccccc2c1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC001324788408 1387772681 /nfs/dbraw/zinc/77/26/81/1387772681.db2.gz AIWFRCOMCKRZFO-UHFFFAOYSA-N -1 1 340.331 3.446 20 10 EGCDMM O=S(=O)([N-]c1ccc(O)cc1)c1cc(F)cc(Br)c1 ZINC001193756067 1368109053 /nfs/dbraw/zinc/10/90/53/1368109053.db2.gz FYGVNFUWMDRNRW-UHFFFAOYSA-N -1 1 346.177 3.095 20 10 EGCDMM CN1C[C@]2(CC1=O)CCCCN2Cc1cc(Cl)cc(Cl)c1[O-] ZINC001203575543 1370175934 /nfs/dbraw/zinc/17/59/34/1370175934.db2.gz QYVNCSSBVCINDQ-MRXNPFEDSA-N -1 1 343.254 3.286 20 10 EGCDMM CC(C)N(CC(=O)c1ccccc1)Cc1cc(C(=O)[O-])ccc1O ZINC001231566323 1376267686 /nfs/dbraw/zinc/26/76/86/1376267686.db2.gz XPHXBSHKHCKIPS-UHFFFAOYSA-N -1 1 327.380 3.184 20 10 EGCDMM CN(Cc1ccncc1)Cc1c([O-])cc(Br)cc1F ZINC001233028179 1376556260 /nfs/dbraw/zinc/55/62/60/1376556260.db2.gz JSSUYBRVBIGLAD-UHFFFAOYSA-N -1 1 325.181 3.321 20 10 EGCDMM O=C(c1ccccc1Cl)N1CCN(Cc2c([O-])cccc2F)CC1 ZINC001137838667 1377626764 /nfs/dbraw/zinc/62/67/64/1377626764.db2.gz GLWIWOCJHRKKGT-UHFFFAOYSA-N -1 1 348.805 3.143 20 10 EGCDMM [O-]c1c(F)cccc1CN1CCc2ncc(Br)cc2C1 ZINC001138127883 1377681747 /nfs/dbraw/zinc/68/17/47/1377681747.db2.gz ULJSMUVJKVGNNA-UHFFFAOYSA-N -1 1 337.192 3.247 20 10 EGCDMM [O-]c1c(F)ccc(F)c1CN1CCC(O)(c2ccccc2F)CC1 ZINC001139685005 1377933830 /nfs/dbraw/zinc/93/38/30/1377933830.db2.gz SUQVIASVXOSDNQ-UHFFFAOYSA-N -1 1 337.341 3.293 20 10 EGCDMM COc1ccccc1N1CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001140461011 1378066197 /nfs/dbraw/zinc/06/61/97/1378066197.db2.gz AYZMUMCFRNCOFD-UHFFFAOYSA-N -1 1 332.831 3.376 20 10 EGCDMM C[C@@H]1CN(Cc2c([O-])cc(F)cc2F)C[C@@H]1NC(=O)OC(C)(C)C ZINC001140584340 1378090303 /nfs/dbraw/zinc/09/03/03/1378090303.db2.gz NUBHFEXUZFOASM-YGRLFVJLSA-N -1 1 342.386 3.015 20 10 EGCDMM CC(C)(C)OC(=O)[C@H]1CCCCN1Cc1cc(F)c(F)cc1[O-] ZINC001142524708 1378453597 /nfs/dbraw/zinc/45/35/97/1378453597.db2.gz HSBJVRJFMGLJBO-CQSZACIVSA-N -1 1 327.371 3.367 20 10 EGCDMM O=C(CNc1ccc2[nH]c3cccnc3c2c1)c1ccc([O-])c(O)c1 ZINC001170321293 1384290582 /nfs/dbraw/zinc/29/05/82/1384290582.db2.gz ZNQMQOZBKZBHPN-UHFFFAOYSA-N -1 1 333.347 3.422 20 10 EGCDMM COC(=O)[N-]C(=S)N(c1cc(C)c(N)c(C)c1)c1ccccc1N ZINC001175938081 1385441934 /nfs/dbraw/zinc/44/19/34/1385441934.db2.gz QFCDSMCIJLLIHR-UHFFFAOYSA-N -1 1 344.440 3.247 20 10 EGCDMM C[C@]1(CO)CCCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001350310279 1391444835 /nfs/dbraw/zinc/44/48/35/1391444835.db2.gz SFSGGOPJAASJCL-AWEZNQCLSA-N -1 1 348.668 3.403 20 10 EGCDMM CCN(CC)c1ccc(C=Cc2ccc(-c3nnn[n-]3)cn2)cc1F ZINC000736533339 1425130407 /nfs/dbraw/zinc/13/04/07/1425130407.db2.gz ZMVRAQWWAYNZLP-YVMONPNESA-N -1 1 338.390 3.417 20 10 EGCDMM CC(C)C[C@H](C[NH2+]Cc1c([O-])cccc1Br)CC(=O)[O-] ZINC000864504203 955989957 /nfs/dbraw/zinc/98/99/57/955989957.db2.gz CEWRLVFZRXOUHI-NSHDSACASA-N -1 1 344.249 3.381 20 10 EGCDMM O=C([O-])[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708071619 969033028 /nfs/dbraw/zinc/03/30/28/969033028.db2.gz OZRNKVZPVDCNFD-QMMMGPOBSA-N -1 1 348.624 3.105 20 10 EGCDMM C[N@H+](Cc1ccc(Br)cc1[O-])C1(C(=O)[O-])CCCCC1 ZINC000691423431 976356038 /nfs/dbraw/zinc/35/60/38/976356038.db2.gz NQLPQMNOIQUTMU-UHFFFAOYSA-N -1 1 342.233 3.374 20 10 EGCDMM C[N@@H+](Cc1ccc(Br)cc1[O-])C1(C(=O)[O-])CCCCC1 ZINC000691423431 976356050 /nfs/dbraw/zinc/35/60/50/976356050.db2.gz NQLPQMNOIQUTMU-UHFFFAOYSA-N -1 1 342.233 3.374 20 10 EGCDMM CC(=O)c1cc(F)cc(C[N@H+](CC(C)C)CC(C)(C)C(=O)[O-])c1[O-] ZINC000903620961 980997616 /nfs/dbraw/zinc/99/76/16/980997616.db2.gz KJICKAWPOQUWCC-UHFFFAOYSA-N -1 1 339.407 3.303 20 10 EGCDMM CC[C@H](CO)NC(=O)c1ccc(NCc2cccc(Cl)c2[O-])cc1 ZINC000280851687 456065425 /nfs/dbraw/zinc/06/54/25/456065425.db2.gz ZPVXLTRVEAJFCH-CQSZACIVSA-N -1 1 348.830 3.158 20 10 EGCDMM COc1ccc2cc(/C=C3\C(=O)[N-]N(c4ccccc4)C3=O)ccc2c1 ZINC000726876464 574574985 /nfs/dbraw/zinc/57/49/85/574574985.db2.gz SHFXYECNBJVEFM-XDHOZWIPSA-N -1 1 344.370 3.310 20 10 EGCDMM CNC(=O)Cc1ccccc1NCc1cccc(Br)c1[O-] ZINC000048796078 1291618397 /nfs/dbraw/zinc/61/83/97/1291618397.db2.gz LVQVCBQLPHNVDO-UHFFFAOYSA-N -1 1 349.228 3.055 20 10 EGCDMM O=C(N[C@@H]1CC[C@H](c2ccc(F)cc2)C1)c1c([O-])c(O)ccc1F ZINC000830924174 1292786132 /nfs/dbraw/zinc/78/61/32/1292786132.db2.gz TXTGVBNAGRBVHG-WCQYABFASA-N -1 1 333.334 3.442 20 10 EGCDMM CCc1ccc([C@@H]2CCN(C(=O)c3c(F)ccc(O)c3[O-])C2)cc1 ZINC000832826074 1293049844 /nfs/dbraw/zinc/04/98/44/1293049844.db2.gz ADYVQIUYXRGXBC-CQSZACIVSA-N -1 1 329.371 3.429 20 10 EGCDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(F)c2ncccc12 ZINC000189428801 1295521141 /nfs/dbraw/zinc/52/11/41/1295521141.db2.gz PPGPBVWDIHCTBF-UHFFFAOYSA-N -1 1 346.383 3.443 20 10 EGCDMM COc1cc(C)[n-]c(=NNC(=S)Nc2cccc(C(C)C)c2)n1 ZINC000747654023 1298816707 /nfs/dbraw/zinc/81/67/07/1298816707.db2.gz HOTPVNRMMVJGGY-UHFFFAOYSA-N -1 1 331.445 3.231 20 10 EGCDMM CC[C@@H](C)[C@H](C)NC(=O)NCc1cccc(Br)c1[O-] ZINC000764769946 1302130934 /nfs/dbraw/zinc/13/09/34/1302130934.db2.gz XDHPVBAUSYCMNS-ZJUUUORDSA-N -1 1 329.238 3.389 20 10 EGCDMM O=C(NCc1cccc(Br)c1[O-])NOC1CCCCC1 ZINC000764804302 1302138890 /nfs/dbraw/zinc/13/88/90/1302138890.db2.gz HYUTVZWBKWFBBL-UHFFFAOYSA-N -1 1 343.221 3.218 20 10 EGCDMM [O-]c1c(Br)cccc1CNc1nc(C2CC2)ns1 ZINC000764935567 1302171543 /nfs/dbraw/zinc/17/15/43/1302171543.db2.gz XJSRZSRRWSOXMZ-UHFFFAOYSA-N -1 1 326.219 3.496 20 10 EGCDMM Cc1cccc(C(=O)NCc2cccc(Br)c2[O-])c1O ZINC000765753168 1302318899 /nfs/dbraw/zinc/31/88/99/1302318899.db2.gz NSVCVTLUBNBFSU-UHFFFAOYSA-N -1 1 336.185 3.099 20 10 EGCDMM COc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(C)=O)c(C)c1C ZINC000766047094 1302378013 /nfs/dbraw/zinc/37/80/13/1302378013.db2.gz FWQWPGXOLHTREX-UHFFFAOYSA-N -1 1 349.408 3.021 20 10 EGCDMM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(C)=O)cc1 ZINC000766047656 1302378142 /nfs/dbraw/zinc/37/81/42/1302378142.db2.gz PHJSVUATBBKCML-UHFFFAOYSA-N -1 1 349.408 3.184 20 10 EGCDMM COc1c([O-])c(C[N@H+]2Cc3ccccc3C[C@H]2C)ccc1[N+](=O)[O-] ZINC000774909444 1303876103 /nfs/dbraw/zinc/87/61/03/1303876103.db2.gz QCBRHBHVPJGSLI-GFCCVEGCSA-N -1 1 328.368 3.256 20 10 EGCDMM CC(C)(C)OC(=O)N[C@H]1CCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775661737 1304008097 /nfs/dbraw/zinc/00/80/97/1304008097.db2.gz QWVMXJDIXKLXQB-LBPRGKRZSA-N -1 1 344.814 3.284 20 10 EGCDMM O=[N+]([O-])c1cc(Cl)cc(CN2CCC[C@@H](OCC3CC3)C2)c1[O-] ZINC000779187860 1304540147 /nfs/dbraw/zinc/54/01/47/1304540147.db2.gz AFCXTJWRVWRWPM-CQSZACIVSA-N -1 1 340.807 3.345 20 10 EGCDMM O=C(COC(=O)C1CC(c2ccc(F)cc2)C1)c1ccc([O-])c(O)c1 ZINC000796109787 1309909162 /nfs/dbraw/zinc/90/91/62/1309909162.db2.gz JGVGTJSTJYJLDY-UHFFFAOYSA-N -1 1 344.338 3.157 20 10 EGCDMM O=C([O-])c1c(F)cc(CNCc2ccc3c(c2)CCCO3)cc1F ZINC000900041832 1317226059 /nfs/dbraw/zinc/22/60/59/1317226059.db2.gz OIAVERMTKLMLPB-UHFFFAOYSA-N -1 1 333.334 3.278 20 10 EGCDMM [O-]c1c(F)cc(F)cc1CNc1nnc(C2CCOCC2)s1 ZINC000905412525 1317955806 /nfs/dbraw/zinc/95/58/06/1317955806.db2.gz GAZKFLOWLHZIHC-UHFFFAOYSA-N -1 1 327.356 3.028 20 10 EGCDMM CC(C)c1noc(NCc2cc(Br)cc(F)c2[O-])n1 ZINC000905411667 1317955821 /nfs/dbraw/zinc/95/58/21/1317955821.db2.gz NYROXELGGNRDBS-UHFFFAOYSA-N -1 1 330.157 3.412 20 10 EGCDMM [O-]c1c(Br)cccc1CN1C[C@@H](CO)Cc2ccccc21 ZINC000814169904 1318687839 /nfs/dbraw/zinc/68/78/39/1318687839.db2.gz OZZDKLLPWZKCOQ-LBPRGKRZSA-N -1 1 348.240 3.326 20 10 EGCDMM Cc1c(NCc2cc(Cl)c(F)cc2[O-])cccc1-n1cnnn1 ZINC000816524907 1319174534 /nfs/dbraw/zinc/17/45/34/1319174534.db2.gz VYOAXNSLIRCDPV-UHFFFAOYSA-N -1 1 333.754 3.081 20 10 EGCDMM CS(=O)(=O)Cc1ccccc1NCc1cc(Cl)c(F)cc1[O-] ZINC000816525964 1319176048 /nfs/dbraw/zinc/17/60/48/1319176048.db2.gz OXPMTTNPQLMSEL-UHFFFAOYSA-N -1 1 343.807 3.341 20 10 EGCDMM O=C(COC(=O)c1cc(Cl)ccc1Cl)c1ccc([O-])c(O)c1 ZINC000916589890 1319680346 /nfs/dbraw/zinc/68/03/46/1319680346.db2.gz DJQIYRXGIYXUMK-UHFFFAOYSA-N -1 1 341.146 3.444 20 10 EGCDMM CCCc1cc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)sc1C ZINC000916611581 1319685125 /nfs/dbraw/zinc/68/51/25/1319685125.db2.gz RIYSJAZFEMLZJY-UHFFFAOYSA-N -1 1 334.393 3.460 20 10 EGCDMM CCC(C)(C)[C@H]([NH2+]Cc1c([O-])cccc1Br)C(=O)[O-] ZINC000864516844 1329621157 /nfs/dbraw/zinc/62/11/57/1329621157.db2.gz RMAXYHKRBWACRX-GFCCVEGCSA-N -1 1 330.222 3.134 20 10 EGCDMM Cc1ccc([N-]S(=O)(=O)CCCF)c(C(=O)c2ccccc2)c1 ZINC001189919618 1367131496 /nfs/dbraw/zinc/13/14/96/1367131496.db2.gz IVHRBHSDVGEBNR-UHFFFAOYSA-N -1 1 335.400 3.327 20 10 EGCDMM O=C(Nc1ccc(Cn2ccnc2)cc1)c1ccc(O)c([O-])c1Cl ZINC001193232358 1367972718 /nfs/dbraw/zinc/97/27/18/1367972718.db2.gz IPFAAESYJGNSIN-UHFFFAOYSA-N -1 1 343.770 3.248 20 10 EGCDMM COc1cccnc1[C@@H](NC(=O)c1ccc(O)c([O-])c1Cl)C1CC1 ZINC001193246775 1367979353 /nfs/dbraw/zinc/97/93/53/1367979353.db2.gz BAOUAOSEDLKQBR-AWEZNQCLSA-N -1 1 348.786 3.036 20 10 EGCDMM [O-]c1c(O)ccc(-c2nc(-c3cccc4ccnn43)no2)c1Cl ZINC001216954167 1373370511 /nfs/dbraw/zinc/37/05/11/1373370511.db2.gz RKBZMNYFKPASRA-UHFFFAOYSA-N -1 1 328.715 3.116 20 10 EGCDMM CCCOC[C@H](C)Oc1c([O-])ccc2c1C(=O)c1ccccc1C2=O ZINC001227581265 1375447284 /nfs/dbraw/zinc/44/72/84/1375447284.db2.gz YOQMGAJWAQDMKD-LBPRGKRZSA-N -1 1 340.375 3.362 20 10 EGCDMM COc1cc(O)c(C[N@@H+]2C[C@@H](C)C[C@H]2CF)c(Br)c1 ZINC001237058952 1376973227 /nfs/dbraw/zinc/97/32/27/1376973227.db2.gz CVTLAKHUNYHHKH-UWVGGRQHSA-N -1 1 332.213 3.343 20 10 EGCDMM CC(C)(C)OC(=O)N1CCN(Cc2c([O-])cccc2F)CC12CC2 ZINC001137839111 1377626775 /nfs/dbraw/zinc/62/67/75/1377626775.db2.gz RLEZAXHKWOMYMW-UHFFFAOYSA-N -1 1 336.407 3.117 20 10 EGCDMM [O-]c1cc(F)cc(F)c1CN1CCN2CCc3ccccc3[C@H]2C1 ZINC001140584202 1378090308 /nfs/dbraw/zinc/09/03/08/1378090308.db2.gz IVBFUEJBPCRAFE-GOSISDBHSA-N -1 1 330.378 3.085 20 10 EGCDMM [O-]c1cc(F)cc(F)c1CN1CCN2CCc3ccccc3[C@@H]2C1 ZINC001140584203 1378090572 /nfs/dbraw/zinc/09/05/72/1378090572.db2.gz IVBFUEJBPCRAFE-SFHVURJKSA-N -1 1 330.378 3.085 20 10 EGCDMM [O-]c1cc(F)c(F)cc1CN1CCN(c2ncccc2Cl)CC1 ZINC001142527128 1378453271 /nfs/dbraw/zinc/45/32/71/1378453271.db2.gz LQHUJWCBGFHALU-UHFFFAOYSA-N -1 1 339.773 3.041 20 10 EGCDMM COc1ccc(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)cn1 ZINC001173959977 1385036364 /nfs/dbraw/zinc/03/63/64/1385036364.db2.gz YCHFXABLGUENPR-UHFFFAOYSA-N -1 1 346.342 3.315 20 10 EGCDMM CCOC(=O)C1(NCc2cc(Cl)cc(C(C)=O)c2[O-])CCCC1 ZINC001335058822 1390636558 /nfs/dbraw/zinc/63/65/58/1390636558.db2.gz CSNMKLNBXVQZMG-UHFFFAOYSA-N -1 1 339.819 3.214 20 10 EGCDMM COc1cc(Cl)cc(CN2Cc3ccccc3[C@@H](C(=O)[O-])C2)c1O ZINC000325603870 951089135 /nfs/dbraw/zinc/08/91/35/951089135.db2.gz PEDHFXNSENKHDT-HNNXBMFYSA-N -1 1 347.798 3.238 20 10 EGCDMM CC(=O)c1cc(Cl)cc(C[NH2+][C@H](C(=O)[O-])c2cccc(C)c2)c1[O-] ZINC001588528014 958878934 /nfs/dbraw/zinc/87/89/34/958878934.db2.gz LIRIUJIJEAFASQ-INIZCTEOSA-N -1 1 347.798 3.472 20 10 EGCDMM CO[C@@H](C[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-])c1ccccc1 ZINC001599046169 999151992 /nfs/dbraw/zinc/15/19/92/999151992.db2.gz CCQWMSVSBXXQIE-KRWDZBQOSA-N -1 1 349.814 3.320 20 10 EGCDMM CO[C@@H](C[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-])c1ccccc1 ZINC001599046169 999151995 /nfs/dbraw/zinc/15/19/95/999151995.db2.gz CCQWMSVSBXXQIE-KRWDZBQOSA-N -1 1 349.814 3.320 20 10 EGCDMM O=C(CSc1nccn1Cc1ccccc1)c1ccc([O-])c(O)c1 ZINC000026042844 202137310 /nfs/dbraw/zinc/13/73/10/202137310.db2.gz OBRAOSGJSQKITO-UHFFFAOYSA-N -1 1 340.404 3.318 20 10 EGCDMM CC(=O)N(C)C1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000092538504 454582623 /nfs/dbraw/zinc/58/26/23/454582623.db2.gz LBRQNMCHHOAWSF-UHFFFAOYSA-N -1 1 331.243 3.142 20 10 EGCDMM CC(C)(NCc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1nccs1 ZINC000116380575 455054134 /nfs/dbraw/zinc/05/41/34/455054134.db2.gz NQSJMHDNBGOXNC-UHFFFAOYSA-N -1 1 327.793 3.435 20 10 EGCDMM CC[C@@H](Nc1cnn(CC(=O)NC2CC2)c1)c1cccc(Cl)c1[O-] ZINC000287768732 456077840 /nfs/dbraw/zinc/07/78/40/456077840.db2.gz RLALXFXJJBPHSX-OAHLLOKOSA-N -1 1 348.834 3.084 20 10 EGCDMM CC(C)C(=O)NC1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000271059533 456115824 /nfs/dbraw/zinc/11/58/24/456115824.db2.gz VTVUGGYTMNPZKN-UHFFFAOYSA-N -1 1 345.270 3.436 20 10 EGCDMM C[C@H](NC(=O)c1c(F)ccc(O)c1[O-])c1cccc(N2CCCC2)c1 ZINC000276533267 456508170 /nfs/dbraw/zinc/50/81/70/456508170.db2.gz FBZKEHXJCXTSAD-LBPRGKRZSA-N -1 1 344.386 3.328 20 10 EGCDMM CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000374785685 457706695 /nfs/dbraw/zinc/70/66/95/457706695.db2.gz WQNJPFXWWDSGSX-LBPRGKRZSA-N -1 1 348.834 3.107 20 10 EGCDMM O=C([O-])C[N@H+](Cc1ccnc(Cl)c1)Cc1cc(Cl)ccc1[O-] ZINC000739799471 576506623 /nfs/dbraw/zinc/50/66/23/576506623.db2.gz PDERVWAVWIMADO-UHFFFAOYSA-N -1 1 341.194 3.181 20 10 EGCDMM O=C([O-])C[N@@H+](Cc1ccnc(Cl)c1)Cc1cc(Cl)ccc1[O-] ZINC000739799471 576506625 /nfs/dbraw/zinc/50/66/25/576506625.db2.gz PDERVWAVWIMADO-UHFFFAOYSA-N -1 1 341.194 3.181 20 10 EGCDMM COc1ccc(C2(CNC(=O)c3c(F)ccc(O)c3[O-])CCC2)cc1 ZINC000828328918 1292456051 /nfs/dbraw/zinc/45/60/51/1292456051.db2.gz VROMVWOWSDMHEF-UHFFFAOYSA-N -1 1 345.370 3.097 20 10 EGCDMM Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(F)c2ncccc12 ZINC000151872509 1293942621 /nfs/dbraw/zinc/94/26/21/1293942621.db2.gz WQHSNQOBASGBKC-UHFFFAOYSA-N -1 1 332.356 3.189 20 10 EGCDMM COc1sc(C=C2SC(=S)[N-]C2=O)cc1Br ZINC000160186804 1294261039 /nfs/dbraw/zinc/26/10/39/1294261039.db2.gz ALDMUDTUIAFLFU-ZZXKWVIFSA-N -1 1 336.257 3.008 20 10 EGCDMM O=C(Nc1c(-c2ccccn2)nc2ccccn21)c1ccc(O)cc1[O-] ZINC000751301991 1299534388 /nfs/dbraw/zinc/53/43/88/1299534388.db2.gz HBHRBBVKIGMDCF-UHFFFAOYSA-N -1 1 346.346 3.060 20 10 EGCDMM Cc1ccc2c(c1)C(=O)N[C@H](c1cccc(Br)c1[O-])N2 ZINC000877861010 1299613993 /nfs/dbraw/zinc/61/39/93/1299613993.db2.gz DYPBZMPGAPWEME-CQSZACIVSA-N -1 1 333.185 3.317 20 10 EGCDMM C[C@H](Nc1ccc2c(c1)n(C)c(=O)n2C)c1cc(F)cc(F)c1[O-] ZINC000756830964 1300572554 /nfs/dbraw/zinc/57/25/54/1300572554.db2.gz JDBDXLOOCFBOGG-VIFPVBQESA-N -1 1 333.338 3.034 20 10 EGCDMM O=C(NCc1ccccc1)NCc1cccc(Br)c1[O-] ZINC000764743160 1302126038 /nfs/dbraw/zinc/12/60/38/1302126038.db2.gz BIAMZZOFFDZEBU-UHFFFAOYSA-N -1 1 335.201 3.154 20 10 EGCDMM O=C(NCc1cccc(Br)c1[O-])c1ccc(Cl)o1 ZINC000765731694 1302315197 /nfs/dbraw/zinc/31/51/97/1302315197.db2.gz KGXYRGQCUQEZEI-UHFFFAOYSA-N -1 1 330.565 3.331 20 10 EGCDMM CCC1=C(C(=O)NCc2cccc(Br)c2[O-])CCCO1 ZINC000765747151 1302317112 /nfs/dbraw/zinc/31/71/12/1302317112.db2.gz MNKQSCZTLSORQO-UHFFFAOYSA-N -1 1 340.217 3.245 20 10 EGCDMM C[C@@H](N[C@H](CCO)C(F)(F)F)c1cccc(C(F)(F)F)c1[O-] ZINC000886803266 1303603424 /nfs/dbraw/zinc/60/34/24/1303603424.db2.gz GSQHTFCSNSPJHJ-GMSGAONNSA-N -1 1 331.256 3.375 20 10 EGCDMM O=C(COC(=O)C1(c2ccc(F)cc2)CCC1)c1ccc([O-])c(O)c1 ZINC000782253638 1304940707 /nfs/dbraw/zinc/94/07/07/1304940707.db2.gz SZDHZWANQDSRLB-UHFFFAOYSA-N -1 1 344.338 3.085 20 10 EGCDMM O=C(COC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1)c1ccc([O-])c(O)c1 ZINC000783300379 1305079100 /nfs/dbraw/zinc/07/91/00/1305079100.db2.gz CDZVOFNXTRZKIW-UONOGXRCSA-N -1 1 346.766 3.281 20 10 EGCDMM C[C@@H](CC(=O)OCC(=O)c1ccc([O-])c(O)c1)c1cccc(F)c1 ZINC000783690434 1305128793 /nfs/dbraw/zinc/12/87/93/1305128793.db2.gz LHOFTSMRCKSCNK-NSHDSACASA-N -1 1 332.327 3.157 20 10 EGCDMM C[C@@H](C(=O)OCC(=O)c1ccc([O-])c(O)c1)c1cccc(Cl)c1 ZINC000783875996 1305156056 /nfs/dbraw/zinc/15/60/56/1305156056.db2.gz HXTCZSIIJTVFAJ-SNVBAGLBSA-N -1 1 334.755 3.281 20 10 EGCDMM COc1ccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1C1CC1 ZINC000785011024 1305303572 /nfs/dbraw/zinc/30/35/72/1305303572.db2.gz QIQYGHOQIPUVKG-UHFFFAOYSA-N -1 1 342.347 3.024 20 10 EGCDMM CO[C@H](CNC(=O)c1c([O-])c(O)ccc1F)c1cccc(Cl)c1 ZINC000789987084 1306243292 /nfs/dbraw/zinc/24/32/92/1306243292.db2.gz QDZOMUHTPCENFD-CYBMUJFWSA-N -1 1 339.750 3.008 20 10 EGCDMM Cc1cc(NCc2cccc(Br)c2[O-])ccc1C(N)=O ZINC000798085466 1310293842 /nfs/dbraw/zinc/29/38/42/1310293842.db2.gz UCTPRZWJDRJZGQ-UHFFFAOYSA-N -1 1 335.201 3.174 20 10 EGCDMM CNC(=O)OC[C@H]1CCCCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000809779072 1317897750 /nfs/dbraw/zinc/89/77/50/1317897750.db2.gz CPCYVOTZFKALTB-GFCCVEGCSA-N -1 1 347.242 3.410 20 10 EGCDMM COc1cnc(C=Cc2ccc(N(C)C)cc2C(F)(F)F)[n-]c1=O ZINC000905076417 1317919592 /nfs/dbraw/zinc/91/95/92/1317919592.db2.gz GOCYVGMWILYCKT-ALCCZGGFSA-N -1 1 339.317 3.446 20 10 EGCDMM CCOC(=O)c1cc(NCc2cc(Cl)c(F)cc2[O-])cn1C ZINC000816610836 1319194085 /nfs/dbraw/zinc/19/40/85/1319194085.db2.gz APPCSAZRFAXNHC-UHFFFAOYSA-N -1 1 326.755 3.312 20 10 EGCDMM CCC(CC)(C[NH2+]Cc1cc(Br)ccc1[O-])C(=O)[O-] ZINC000818631543 1319572858 /nfs/dbraw/zinc/57/28/58/1319572858.db2.gz IVCWEGVMPNCXBW-UHFFFAOYSA-N -1 1 330.222 3.135 20 10 EGCDMM O=C(C=Cc1ccc2ccccc2n1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000916594055 1319681586 /nfs/dbraw/zinc/68/15/86/1319681586.db2.gz MEFWFCRGGYVSGQ-CSKARUKUSA-N -1 1 349.342 3.085 20 10 EGCDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H]1C[C@H]1C1CCC1 ZINC000823886610 1320213907 /nfs/dbraw/zinc/21/39/07/1320213907.db2.gz VJUULPNLPKHKLN-WCQYABFASA-N -1 1 339.233 3.143 20 10 EGCDMM CCc1cccc2c1OCC[C@@H]2NC(=O)c1c(F)ccc(O)c1[O-] ZINC000825683776 1320354800 /nfs/dbraw/zinc/35/48/00/1320354800.db2.gz UCFIDHFBCNJIQJ-ZDUSSCGKSA-N -1 1 331.343 3.053 20 10 EGCDMM CC(C)C[C@@H]1C[C@H]1NC(=O)NCc1cccc(Br)c1[O-] ZINC000838758895 1320813569 /nfs/dbraw/zinc/81/35/69/1320813569.db2.gz ZACWTSKLQYFMEC-DGCLKSJQSA-N -1 1 341.249 3.389 20 10 EGCDMM CS(=O)(=O)c1cccc(NCc2c([O-])ccc(Cl)c2F)c1 ZINC000863994443 1329593326 /nfs/dbraw/zinc/59/33/26/1329593326.db2.gz ZNACEPGWUAIUJC-UHFFFAOYSA-N -1 1 329.780 3.200 20 10 EGCDMM Cc1noc(-c2ccc(NC(=O)c3ccc(O)c([O-])c3Cl)cc2)n1 ZINC001193228920 1367972908 /nfs/dbraw/zinc/97/29/08/1367972908.db2.gz AKPPHXOQYUJAMD-UHFFFAOYSA-N -1 1 345.742 3.362 20 10 EGCDMM O=C(NCc1nccc2ccccc21)c1ccc(O)c([O-])c1Cl ZINC001193237047 1367975433 /nfs/dbraw/zinc/97/54/33/1367975433.db2.gz VLTQRYFMKISZKN-UHFFFAOYSA-N -1 1 328.755 3.229 20 10 EGCDMM Nc1ccccc1Nc1cc2c(cc1[O-])C(=O)c1ccccc1C2=O ZINC001206354023 1371030407 /nfs/dbraw/zinc/03/04/07/1371030407.db2.gz PEEBIZVTFZDGBS-UHFFFAOYSA-N -1 1 330.343 3.493 20 10 EGCDMM O=C1CCCC[C@@H]1Oc1c([O-])ccc2c1C(=O)c1ccccc1C2=O ZINC001227578576 1375446753 /nfs/dbraw/zinc/44/67/53/1375446753.db2.gz UTWJFKGDYQSFQP-INIZCTEOSA-N -1 1 336.343 3.058 20 10 EGCDMM CN(Cc1ccc(N2CCOCC2)cc1)Cc1ccc(F)c([O-])c1F ZINC001232935801 1376540972 /nfs/dbraw/zinc/54/09/72/1376540972.db2.gz YAYNEYOXRQGHGF-UHFFFAOYSA-N -1 1 348.393 3.139 20 10 EGCDMM CCOc1cccc(N2CCN(Cc3c([O-])ccc(F)c3F)CC2)c1 ZINC001233335609 1376619682 /nfs/dbraw/zinc/61/96/82/1376619682.db2.gz DCCJMMPISHXUFU-UHFFFAOYSA-N -1 1 348.393 3.391 20 10 EGCDMM Cc1ccnc(O[C@H]2CCC[N@@H+](Cc3c([O-])cc(F)cc3F)C2)c1 ZINC001140585512 1378090409 /nfs/dbraw/zinc/09/04/09/1378090409.db2.gz LVMHJSLMMXMOCC-AWEZNQCLSA-N -1 1 334.366 3.417 20 10 EGCDMM Nc1ccc(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)cc1 ZINC001159648931 1381858908 /nfs/dbraw/zinc/85/89/08/1381858908.db2.gz GGTMCIJLWIEQMG-UHFFFAOYSA-N -1 1 330.343 3.493 20 10 EGCDMM Cn1cc(NCc2cc(Cl)c3cccnc3c2[O-])cc(F)c1=O ZINC001168525602 1383930084 /nfs/dbraw/zinc/93/00/84/1383930084.db2.gz HGYMGRKFKDAPFC-UHFFFAOYSA-N -1 1 333.750 3.044 20 10 EGCDMM O=C(CNc1nc(Cl)nc2ccsc21)c1ccc([O-])c(O)c1 ZINC001170314205 1384288767 /nfs/dbraw/zinc/28/87/67/1384288767.db2.gz SJWNYLWGQXILLI-UHFFFAOYSA-N -1 1 335.772 3.051 20 10 EGCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2CC[C@@H](CF)C2)c1[O-] ZINC001333314772 1390282380 /nfs/dbraw/zinc/28/23/80/1390282380.db2.gz WHFKECILGFECGU-ZDUSSCGKSA-N -1 1 329.371 3.120 20 10 EGCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2CC[C@@H](CF)C2)c1[O-] ZINC001333314772 1390282382 /nfs/dbraw/zinc/28/23/82/1390282382.db2.gz WHFKECILGFECGU-ZDUSSCGKSA-N -1 1 329.371 3.120 20 10 EGCDMM Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c1 ZINC000863738822 979675318 /nfs/dbraw/zinc/67/53/18/979675318.db2.gz FHSSYYCRZJFLOV-CMPLNLGQSA-N -1 1 342.233 3.006 20 10 EGCDMM C[C@H](NC/C=C\c1ccc(N(C)C)cc1)c1ncc(C(=O)[O-])s1 ZINC000901909447 980622395 /nfs/dbraw/zinc/62/23/95/980622395.db2.gz CDBPDLSNRFSKIO-RXNFCKPNSA-N -1 1 331.441 3.271 20 10 EGCDMM COC1CCC(C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])CC1 ZINC001599101239 997387364 /nfs/dbraw/zinc/38/73/64/997387364.db2.gz LIOOBIJMWIGBDS-UHFFFAOYSA-N -1 1 341.835 3.137 20 10 EGCDMM COC1CCC(C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])CC1 ZINC001599101239 997387377 /nfs/dbraw/zinc/38/73/77/997387377.db2.gz LIOOBIJMWIGBDS-UHFFFAOYSA-N -1 1 341.835 3.137 20 10 EGCDMM COc1cc(Cl)c(C)cc1NC(=O)C[N@@H+](C)Cc1ccccc1O ZINC000109770288 454835816 /nfs/dbraw/zinc/83/58/16/454835816.db2.gz JYMFGBYYYRYTFD-UHFFFAOYSA-N -1 1 348.830 3.433 20 10 EGCDMM CCN(CC)c1ccc(CNC(=O)c2c(F)ccc([O-])c2F)cc1 ZINC000289056143 456112782 /nfs/dbraw/zinc/11/27/82/456112782.db2.gz BRBKOTPRDKBSGS-UHFFFAOYSA-N -1 1 334.366 3.447 20 10 EGCDMM Cc1nc(CNCc2ccc(N3CCCCC3)cc2)ccc1C(=O)[O-] ZINC000277369342 456798462 /nfs/dbraw/zinc/79/84/62/456798462.db2.gz QFHZPGKALUTCJJ-UHFFFAOYSA-N -1 1 339.439 3.368 20 10 EGCDMM COc1ccc(O)c(C[NH+]2CCC(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000371480243 457954653 /nfs/dbraw/zinc/95/46/53/457954653.db2.gz NCYZWBNYDXBALI-UHFFFAOYSA-N -1 1 341.407 3.201 20 10 EGCDMM O=C(NCCCSc1nccs1)c1cc(Cl)ccc1[O-] ZINC000734358201 575478624 /nfs/dbraw/zinc/47/86/24/575478624.db2.gz DCPKIWYTEMLVBX-UHFFFAOYSA-N -1 1 328.846 3.414 20 10 EGCDMM Cc1sc(Br)cc1S(=O)(=O)[N-]c1ccc(O)cc1 ZINC000094870733 1292944062 /nfs/dbraw/zinc/94/40/62/1292944062.db2.gz TTWFVNATYHLHOK-UHFFFAOYSA-N -1 1 348.243 3.325 20 10 EGCDMM COc1cc(C)[n-]c(=NNC(=S)Nc2ccc3ccccc3c2)n1 ZINC000747655391 1298818769 /nfs/dbraw/zinc/81/87/69/1298818769.db2.gz XOLQHQDEEQTVTQ-UHFFFAOYSA-N -1 1 339.424 3.260 20 10 EGCDMM COc1ccc2c(c1)C(=O)N(C)[C@H](c1cc(Cl)c(F)cc1[O-])N2 ZINC000877851825 1299610075 /nfs/dbraw/zinc/61/00/75/1299610075.db2.gz NOFSQQYRGJOKKW-OAHLLOKOSA-N -1 1 336.750 3.390 20 10 EGCDMM Cc1cc([N+](=O)[O-])cnc1NCc1cccc(Br)c1[O-] ZINC000764934782 1302170616 /nfs/dbraw/zinc/17/06/16/1302170616.db2.gz LLDGUDONHIVFET-UHFFFAOYSA-N -1 1 338.161 3.378 20 10 EGCDMM Cc1ccc(O)c(C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765767951 1302322706 /nfs/dbraw/zinc/32/27/06/1302322706.db2.gz GQRINDSFAZOLLM-UHFFFAOYSA-N -1 1 336.185 3.099 20 10 EGCDMM C[C@H](N[C@@H](CCO)C(F)(F)F)c1cccc(C(F)(F)F)c1[O-] ZINC000886803269 1303603608 /nfs/dbraw/zinc/60/36/08/1303603608.db2.gz GSQHTFCSNSPJHJ-XVKPBYJWSA-N -1 1 331.256 3.375 20 10 EGCDMM O=C(COC(=O)c1ccc2c(c1)CCCC2)c1ccc([O-])c(O)c1 ZINC000782132289 1304919235 /nfs/dbraw/zinc/91/92/35/1304919235.db2.gz AABYMNMVBQVDBB-UHFFFAOYSA-N -1 1 326.348 3.016 20 10 EGCDMM Cc1cc(C)c(C=CC(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1C ZINC000782859865 1305017587 /nfs/dbraw/zinc/01/75/87/1305017587.db2.gz DKZRQBBMEOZLHQ-ALCCZGGFSA-N -1 1 340.375 3.462 20 10 EGCDMM C[C@@H](C(=O)OCC(=O)c1ccc([O-])c(O)c1)c1ccc(Cl)s1 ZINC000784035957 1305181010 /nfs/dbraw/zinc/18/10/10/1305181010.db2.gz ZXSLVMVQBPHNNU-MRVPVSSYSA-N -1 1 340.784 3.342 20 10 EGCDMM CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000893985268 1306164174 /nfs/dbraw/zinc/16/41/74/1306164174.db2.gz ZWFLTPKAUQMOKV-NSHDSACASA-N -1 1 342.386 3.017 20 10 EGCDMM O=C(NCC1(Cc2ccccc2)CCC1)c1c(F)ccc(O)c1[O-] ZINC000789988222 1306244089 /nfs/dbraw/zinc/24/40/89/1306244089.db2.gz DAOMNLHTCLRHCH-UHFFFAOYSA-N -1 1 329.371 3.380 20 10 EGCDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1CCC(F)(F)C1 ZINC000795357083 1309733099 /nfs/dbraw/zinc/73/30/99/1309733099.db2.gz UTPDMOLYNSAZPJ-MRVPVSSYSA-N -1 1 334.160 3.206 20 10 EGCDMM Cc1cc(Br)c([O-])c(CN2CC(O)(c3ccccc3)C2)c1 ZINC000811509291 1318188155 /nfs/dbraw/zinc/18/81/55/1318188155.db2.gz UOFUQNKHDPKVIY-UHFFFAOYSA-N -1 1 348.240 3.167 20 10 EGCDMM C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000813683219 1318619041 /nfs/dbraw/zinc/61/90/41/1318619041.db2.gz XRSVQZMTOKGFLV-AOOOYVTPSA-N -1 1 331.243 3.188 20 10 EGCDMM Cc1cc(Br)cc(C[N@@H+]2C[C@H](C(=O)[O-])C[C@H](C)C2)c1O ZINC000817881703 1319450773 /nfs/dbraw/zinc/45/07/73/1319450773.db2.gz MTNLIZCQRVIYIE-JOYOIKCWSA-N -1 1 342.233 3.006 20 10 EGCDMM O=C(COC(=O)c1ccc(C(F)(F)F)cc1)c1ccc([O-])c(O)c1 ZINC000916590007 1319680456 /nfs/dbraw/zinc/68/04/56/1319680456.db2.gz WTXAVSMFTPEWLB-UHFFFAOYSA-N -1 1 340.253 3.156 20 10 EGCDMM O=C(N[C@H]1CC2(CCC2)Oc2ccccc21)c1c(F)ccc(O)c1[O-] ZINC000826876386 1320411037 /nfs/dbraw/zinc/41/10/37/1320411037.db2.gz FPZASPNEKMLTPY-ZDUSSCGKSA-N -1 1 343.354 3.413 20 10 EGCDMM Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1ccc([O-])cc1F ZINC000839920223 1320996512 /nfs/dbraw/zinc/99/65/12/1320996512.db2.gz NMJUGSPILOWKSK-ZDUSSCGKSA-N -1 1 330.403 3.267 20 10 EGCDMM C[C@@H](NCc1nnn(C(C)(C)C)n1)c1cccc(C(F)(F)F)c1[O-] ZINC000848561527 1321975870 /nfs/dbraw/zinc/97/58/70/1321975870.db2.gz XSKCKTBNKNEFQW-SECBINFHSA-N -1 1 343.353 3.003 20 10 EGCDMM Oc1cccc(Br)c1C[N@H+]1CCOC[C@H]1C1CCC1 ZINC000862400286 1329482737 /nfs/dbraw/zinc/48/27/37/1329482737.db2.gz SFSNUHFGJXPCSE-AWEZNQCLSA-N -1 1 326.234 3.156 20 10 EGCDMM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1c2nonc2ccc1Cl ZINC001324141886 1387547371 /nfs/dbraw/zinc/54/73/71/1387547371.db2.gz PSMOPWATGXEWER-UHFFFAOYSA-N -1 1 348.702 3.045 20 10 EGCDMM O=S(=O)(Cc1ccc(F)c(F)c1)Nc1ccc([O-])c(Cl)c1 ZINC001189308456 1366984013 /nfs/dbraw/zinc/98/40/13/1366984013.db2.gz BONRWGFPTYWKDN-UHFFFAOYSA-N -1 1 333.743 3.266 20 10 EGCDMM CN(Cc1ccc(F)cc1F)C(=O)c1ccc(O)c([O-])c1Cl ZINC001193233164 1367972130 /nfs/dbraw/zinc/97/21/30/1367972130.db2.gz VTKVBQFXTAMLOO-UHFFFAOYSA-N -1 1 327.714 3.302 20 10 EGCDMM Cn1cc(CCNC(=O)c2ccc(O)c([O-])c2Cl)c2ccccc21 ZINC001193236678 1367975053 /nfs/dbraw/zinc/97/50/53/1367975053.db2.gz MQFYRUSHARTGQK-UHFFFAOYSA-N -1 1 344.798 3.215 20 10 EGCDMM CC[N@H+](CCc1ccc(OC)cc1)Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231566856 1376266369 /nfs/dbraw/zinc/26/63/69/1376266369.db2.gz RWNMCWNPZNTGKL-UHFFFAOYSA-N -1 1 329.396 3.164 20 10 EGCDMM CC[N@@H+](CCc1ccc(OC)cc1)Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231566856 1376266374 /nfs/dbraw/zinc/26/63/74/1376266374.db2.gz RWNMCWNPZNTGKL-UHFFFAOYSA-N -1 1 329.396 3.164 20 10 EGCDMM O=C([O-])c1ccc(O)c(CN2CCN(c3ccccc3Cl)CC2)c1 ZINC001231565348 1376266845 /nfs/dbraw/zinc/26/68/45/1376266845.db2.gz TXNTWGJLHBKKNN-UHFFFAOYSA-N -1 1 346.814 3.066 20 10 EGCDMM CC(C)(C)OC(=O)O[C@H]1CCN(Cc2ccc(F)c(F)c2[O-])C1 ZINC001233074416 1376563351 /nfs/dbraw/zinc/56/33/51/1376563351.db2.gz PPUUFWBIFPGUMP-NSHDSACASA-N -1 1 329.343 3.196 20 10 EGCDMM [O-]c1c(CN2CCN(c3nccs3)CC2)cccc1C(F)(F)F ZINC001233416080 1376640787 /nfs/dbraw/zinc/64/07/87/1376640787.db2.gz VXJYQZJTURSYGG-UHFFFAOYSA-N -1 1 343.374 3.190 20 10 EGCDMM CCOc1ccc(N2CCN(Cc3c(F)cc([O-])cc3F)CC2)cc1 ZINC001144561618 1378743874 /nfs/dbraw/zinc/74/38/74/1378743874.db2.gz KECJCFSZTYNSKY-UHFFFAOYSA-N -1 1 348.393 3.391 20 10 EGCDMM O=C(CNc1csc2c1ncnc2Cl)c1ccc([O-])c(O)c1 ZINC001170316569 1384289559 /nfs/dbraw/zinc/28/95/59/1384289559.db2.gz JMLVQRWPTOMIJT-UHFFFAOYSA-N -1 1 335.772 3.051 20 10 EGCDMM Nc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(N2CCCCC2)c1 ZINC001174305288 1385095472 /nfs/dbraw/zinc/09/54/72/1385095472.db2.gz XJVUTHMYBZXWKN-UHFFFAOYSA-N -1 1 349.431 3.199 20 10 EGCDMM Cc1cc(S(=O)(=O)[N-]c2ccc(O)cc2C(F)(F)F)ccc1N ZINC001176340790 1385556517 /nfs/dbraw/zinc/55/65/17/1385556517.db2.gz XGVZQMFWBVPIBL-UHFFFAOYSA-N -1 1 346.330 3.102 20 10 EGCDMM C[C@@H](Nc1cnn(Cc2cccnc2)c1)c1cc(F)cc(F)c1[O-] ZINC001321036802 1386790573 /nfs/dbraw/zinc/79/05/73/1386790573.db2.gz FOUCQPFWQNBGJA-LLVKDONJSA-N -1 1 330.338 3.483 20 10 EGCDMM CN(C)c1cc(F)c(CN[C@H](C(=O)[O-])c2ccc(F)cc2)cc1F ZINC001573991143 961828040 /nfs/dbraw/zinc/82/80/40/961828040.db2.gz BCBZCTXAFBNVDD-INIZCTEOSA-N -1 1 338.329 3.085 20 10 EGCDMM CC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000923467638 969650606 /nfs/dbraw/zinc/65/06/06/969650606.db2.gz KHWSWJDNXRGUAN-QGZVFWFLSA-N -1 1 339.819 3.325 20 10 EGCDMM CCOCc1cc(CN[C@@H](C(=O)[O-])c2ccccc2F)ccc1OC ZINC000841795911 979311551 /nfs/dbraw/zinc/31/15/51/979311551.db2.gz MGNZTMBOMVZCHQ-GOSISDBHSA-N -1 1 347.386 3.286 20 10 EGCDMM CC1(C)CCC[C@@H](C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])O1 ZINC001593887037 996725110 /nfs/dbraw/zinc/72/51/10/996725110.db2.gz WHXVYURZLNVIHI-AWEZNQCLSA-N -1 1 341.835 3.280 20 10 EGCDMM CC1(C)CCC[C@@H](C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])O1 ZINC001593887037 996725113 /nfs/dbraw/zinc/72/51/13/996725113.db2.gz WHXVYURZLNVIHI-AWEZNQCLSA-N -1 1 341.835 3.280 20 10 EGCDMM O=[N+]([O-])c1cc(Cl)cc(CN2CC[C@@H](Oc3ccncc3)C2)c1[O-] ZINC000093865872 454741102 /nfs/dbraw/zinc/74/11/02/454741102.db2.gz YLGSLDNCNKBCJE-CQSZACIVSA-N -1 1 349.774 3.002 20 10 EGCDMM CC(=O)CC(C)(C)CC(=O)NCc1cccc(Br)c1[O-] ZINC000277466199 456835061 /nfs/dbraw/zinc/83/50/61/456835061.db2.gz HMQSKCCOWWKSDA-UHFFFAOYSA-N -1 1 342.233 3.166 20 10 EGCDMM O=C([O-])C[N@H+](Cc1ccc(F)c(F)c1)Cc1cc(Cl)ccc1[O-] ZINC000739795607 576505855 /nfs/dbraw/zinc/50/58/55/576505855.db2.gz OOHWADVVEXLGEO-UHFFFAOYSA-N -1 1 341.741 3.411 20 10 EGCDMM O=C([O-])C[N@@H+](Cc1ccc(F)c(F)c1)Cc1cc(Cl)ccc1[O-] ZINC000739795607 576505859 /nfs/dbraw/zinc/50/58/59/576505859.db2.gz OOHWADVVEXLGEO-UHFFFAOYSA-N -1 1 341.741 3.411 20 10 EGCDMM CNC(=O)c1ccc(NCc2cccc(Br)c2[O-])c(C)c1 ZINC000048796871 1291619313 /nfs/dbraw/zinc/61/93/13/1291619313.db2.gz HPHPXAZPHOBGJH-UHFFFAOYSA-N -1 1 349.228 3.435 20 10 EGCDMM CC(=O)c1cc(Cl)cc(CN(C)[C@@H](C)C(=O)OC(C)C)c1[O-] ZINC000129612806 1293629516 /nfs/dbraw/zinc/62/95/16/1293629516.db2.gz PUDLFNSLMHVCFS-JTQLQIEISA-N -1 1 327.808 3.020 20 10 EGCDMM CC[N@@H+](Cc1ncc(C)o1)Cc1cc(Br)ccc1O ZINC000174423219 1294499774 /nfs/dbraw/zinc/49/97/74/1294499774.db2.gz NGNKKJKIOYNFSD-UHFFFAOYSA-N -1 1 325.206 3.473 20 10 EGCDMM CCC[C@](C)(NCc1cc(Cl)cc(C(C)=O)c1[O-])C(=O)OC ZINC000177157911 1294656672 /nfs/dbraw/zinc/65/66/72/1294656672.db2.gz CPAWLNXSVDHUMA-INIZCTEOSA-N -1 1 327.808 3.070 20 10 EGCDMM CCC[C@@](C)(NCc1cc(Cl)cc(C(C)=O)c1[O-])C(=O)OC ZINC000177157928 1294657036 /nfs/dbraw/zinc/65/70/36/1294657036.db2.gz CPAWLNXSVDHUMA-MRXNPFEDSA-N -1 1 327.808 3.070 20 10 EGCDMM C[C@H](Nc1ccc(N2CCOCC2)cn1)c1cc(F)cc(F)c1[O-] ZINC000756801440 1300568281 /nfs/dbraw/zinc/56/82/81/1300568281.db2.gz LNNVZQCCXHJZAL-NSHDSACASA-N -1 1 335.354 3.075 20 10 EGCDMM Cc1nnc(CN[C@@H](C)c2cc(Br)c(F)cc2[O-])s1 ZINC000757636582 1300700215 /nfs/dbraw/zinc/70/02/15/1300700215.db2.gz CSNQVNYGZBKEHP-LURJTMIESA-N -1 1 346.225 3.305 20 10 EGCDMM O=C(NCc1ccsc1)NCc1cccc(Br)c1[O-] ZINC000764764022 1302129300 /nfs/dbraw/zinc/12/93/00/1302129300.db2.gz XEODTGMQTFCWQM-UHFFFAOYSA-N -1 1 341.230 3.216 20 10 EGCDMM CCC1(CNC(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000764792649 1302136486 /nfs/dbraw/zinc/13/64/86/1302136486.db2.gz XDVXQHZVOPMZNN-UHFFFAOYSA-N -1 1 327.222 3.144 20 10 EGCDMM Cc1cc(NCc2cccc(Br)c2[O-])ncc1[N+](=O)[O-] ZINC000764933429 1302170241 /nfs/dbraw/zinc/17/02/41/1302170241.db2.gz CXKYXMVFVAMQBG-UHFFFAOYSA-N -1 1 338.161 3.378 20 10 EGCDMM O=C(Cc1cccs1)NCc1cccc(Br)c1[O-] ZINC000765755171 1302318970 /nfs/dbraw/zinc/31/89/70/1302318970.db2.gz HSIGFBZUDHYKBH-UHFFFAOYSA-N -1 1 326.215 3.075 20 10 EGCDMM CC(=O)c1ccccc1C(=O)NCc1cccc(Br)c1[O-] ZINC000765758554 1302320825 /nfs/dbraw/zinc/32/08/25/1302320825.db2.gz YVUQYLAWYIUHEX-UHFFFAOYSA-N -1 1 348.196 3.287 20 10 EGCDMM O=C(C[C@H]1CCc2ccccc2C1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783633582 1305120998 /nfs/dbraw/zinc/12/09/98/1305120998.db2.gz QSMUCFCLDSAVOQ-ZDUSSCGKSA-N -1 1 340.375 3.019 20 10 EGCDMM CC(C)(Cc1ccccc1)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783715395 1305131429 /nfs/dbraw/zinc/13/14/29/1305131429.db2.gz DUXNIIUKLLFMHE-UHFFFAOYSA-N -1 1 328.364 3.093 20 10 EGCDMM Cc1ccc(OCCCCNC(=O)c2c(F)ccc(O)c2[O-])cc1 ZINC000789959780 1306237308 /nfs/dbraw/zinc/23/73/08/1306237308.db2.gz JSOUVTSCLXIEGK-UHFFFAOYSA-N -1 1 333.359 3.134 20 10 EGCDMM O=[N+]([O-])c1ccc([O-])c(CNCc2c(F)cc(F)c(F)c2F)c1 ZINC000797468024 1310194724 /nfs/dbraw/zinc/19/47/24/1310194724.db2.gz GOQHNCMEQPRLSD-UHFFFAOYSA-N -1 1 330.237 3.147 20 10 EGCDMM CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C(F)F)cc1 ZINC000808107725 1317625966 /nfs/dbraw/zinc/62/59/66/1317625966.db2.gz JIMXEUSOFARHEK-UHFFFAOYSA-N -1 1 341.335 3.333 20 10 EGCDMM O=C(C=Cc1ccc(Cl)cc1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000916590038 1319679788 /nfs/dbraw/zinc/67/97/88/1319679788.db2.gz ATMOKCKUNBYPMZ-FPYGCLRLSA-N -1 1 332.739 3.191 20 10 EGCDMM O=C(COC(=O)C1(c2ccccc2)CCCC1)c1ccc([O-])c(O)c1 ZINC000916590963 1319680369 /nfs/dbraw/zinc/68/03/69/1319680369.db2.gz QNLPVYSUWCVDHE-UHFFFAOYSA-N -1 1 340.375 3.336 20 10 EGCDMM [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000822504559 1320090550 /nfs/dbraw/zinc/09/05/50/1320090550.db2.gz VIVCGTARDIORAI-LBPRGKRZSA-N -1 1 327.215 3.128 20 10 EGCDMM [O-]c1c(Cl)cc(Cl)cc1CN1CCC[C@H](n2ccnn2)C1 ZINC000822504559 1320090553 /nfs/dbraw/zinc/09/05/53/1320090553.db2.gz VIVCGTARDIORAI-LBPRGKRZSA-N -1 1 327.215 3.128 20 10 EGCDMM O=C(c1c([O-])c(O)ccc1F)N1CCC(Cc2ccc(F)cc2)CC1 ZINC000825679240 1320354433 /nfs/dbraw/zinc/35/44/33/1320354433.db2.gz ODUDYJSAJNLGHD-UHFFFAOYSA-N -1 1 347.361 3.471 20 10 EGCDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000846016060 1321762649 /nfs/dbraw/zinc/76/26/49/1321762649.db2.gz QBCSJEHXAMVMCC-NTZNESFSSA-N -1 1 336.229 3.373 20 10 EGCDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1C[C@H]1c1ccco1 ZINC000863909755 1329588051 /nfs/dbraw/zinc/58/80/51/1329588051.db2.gz FMNYEYHRZLGUOO-GHMZBOCLSA-N -1 1 336.185 3.168 20 10 EGCDMM C[C@]1(C(=O)[O-])CCCC[C@H]1[NH2+]Cc1c([O-])cccc1Br ZINC000864510016 1329620205 /nfs/dbraw/zinc/62/02/05/1329620205.db2.gz UNYIJBAAULTWFY-HIFRSBDPSA-N -1 1 342.233 3.278 20 10 EGCDMM Cc1cccc(Cl)c1NC(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001184558340 1387492844 /nfs/dbraw/zinc/49/28/44/1387492844.db2.gz OOARNAVJRLWIFH-UHFFFAOYSA-N -1 1 334.759 3.064 20 10 EGCDMM COCc1nc(C)c(C(=O)[N-]c2c3nonc3ccc2Cl)s1 ZINC001324140685 1387547362 /nfs/dbraw/zinc/54/73/62/1387547362.db2.gz HWWIRGGALCWYTM-UHFFFAOYSA-N -1 1 338.776 3.040 20 10 EGCDMM Cc1nc(Cl)c(NC(=O)c2ccc(O)c([O-])c2Cl)c(Cl)n1 ZINC001193208674 1367966210 /nfs/dbraw/zinc/96/62/10/1367966210.db2.gz AMKJGOVAJPFUDH-UHFFFAOYSA-N -1 1 348.573 3.409 20 10 EGCDMM O=C(c1ccc(O)c([O-])c1Cl)N1C[C@@H]2C[C@H](C1)c1ccccc12 ZINC001193232486 1367972875 /nfs/dbraw/zinc/97/28/75/1367972875.db2.gz LFHHBOJWVQGXME-PHIMTYICSA-N -1 1 329.783 3.478 20 10 EGCDMM COc1ncccc1[C@H](NC(=O)c1ccc(O)c([O-])c1Cl)C1CC1 ZINC001193247385 1367978844 /nfs/dbraw/zinc/97/88/44/1367978844.db2.gz WVYJPIMRHCWPIV-CQSZACIVSA-N -1 1 348.786 3.036 20 10 EGCDMM [O-]c1cc(O)c(CN2Cc3cnn(-c4ccccc4)c3C2)cc1Cl ZINC001232263084 1376426275 /nfs/dbraw/zinc/42/62/75/1376426275.db2.gz FXQAZXJOWZUJFN-UHFFFAOYSA-N -1 1 341.798 3.453 20 10 EGCDMM [O-]c1c(CN2CCC(O)(c3ccccc3F)CC2)ccc(F)c1F ZINC001233076973 1376563054 /nfs/dbraw/zinc/56/30/54/1376563054.db2.gz ANFXTFPNXOECDK-UHFFFAOYSA-N -1 1 337.341 3.293 20 10 EGCDMM C[C@H]1CN(Cc2c(F)ccc(F)c2[O-])CCN1Cc1ccccc1 ZINC001139686084 1377934118 /nfs/dbraw/zinc/93/41/18/1377934118.db2.gz NBKBUTPLNCJWFB-AWEZNQCLSA-N -1 1 332.394 3.377 20 10 EGCDMM [O-]c1c(F)ccc(F)c1CN1CCC(Oc2ccc(F)cn2)CC1 ZINC001139689252 1377935387 /nfs/dbraw/zinc/93/53/87/1377935387.db2.gz GWLYEFHFUWXQJJ-UHFFFAOYSA-N -1 1 338.329 3.248 20 10 EGCDMM C[C@@H]1CN(Cc2ccccc2)CCN1Cc1c([O-])cc(F)cc1F ZINC001140585954 1378091387 /nfs/dbraw/zinc/09/13/87/1378091387.db2.gz XFNUPPSHNGKWSI-CQSZACIVSA-N -1 1 332.394 3.377 20 10 EGCDMM Cc1c(Cl)nc(C(C)C)nc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001159280368 1381749833 /nfs/dbraw/zinc/74/98/33/1381749833.db2.gz NILNNMUMNRQYTN-UHFFFAOYSA-N -1 1 335.791 3.268 20 10 EGCDMM Cc1cc(NCc2cc(Cl)c3cccnc3c2[O-])cn(C)c1=O ZINC001168525980 1383930527 /nfs/dbraw/zinc/93/05/27/1383930527.db2.gz OAQBPWAHWLRMTN-UHFFFAOYSA-N -1 1 329.787 3.213 20 10 EGCDMM CC(C)n1cc(NCc2cc(Cl)c3cccnc3c2[O-])ncc1=O ZINC001168526063 1383930636 /nfs/dbraw/zinc/93/06/36/1383930636.db2.gz RGBIKAGUZHHYIK-UHFFFAOYSA-N -1 1 344.802 3.344 20 10 EGCDMM CSc1nc2ccnc(NCC(=O)c3ccc([O-])c(O)c3)c2s1 ZINC001170314687 1384289240 /nfs/dbraw/zinc/28/92/40/1384289240.db2.gz YMNMJZULNUZRJL-UHFFFAOYSA-N -1 1 347.421 3.119 20 10 EGCDMM COc1cc(NCC(=O)c2ccc([O-])c(O)c2)cc(C(F)(F)F)c1 ZINC001170314988 1384289542 /nfs/dbraw/zinc/28/95/42/1384289542.db2.gz NXRVFHJRXBAGLW-UHFFFAOYSA-N -1 1 341.285 3.420 20 10 EGCDMM CC1CCN(c2ccc(CNc3ncccc3-c3nnn[n-]3)cc2)CC1 ZINC000736280219 1443459651 /nfs/dbraw/zinc/45/96/51/1443459651.db2.gz ORTFYDROUGKTLL-UHFFFAOYSA-N -1 1 349.442 3.110 20 10 EGCDMM CC(C)Oc1ccc(NCc2cc(F)ccc2O)cc1-c1nnn[n-]1 ZINC000824329207 1447315663 /nfs/dbraw/zinc/31/56/63/1447315663.db2.gz LIAFAEVVEVDHGS-UHFFFAOYSA-N -1 1 343.362 3.111 20 10 EGCDMM O=C([O-])c1ccc(C(=O)NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC001574796732 957824849 /nfs/dbraw/zinc/82/48/49/957824849.db2.gz VYUIHOOMCMDJDQ-UHFFFAOYSA-N -1 1 340.162 3.327 20 10 EGCDMM C[C@@H]([NH2+]Cc1ccc(Cl)cc1[O-])[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593298279 994712774 /nfs/dbraw/zinc/71/27/74/994712774.db2.gz HHQWEBMBIHQXMG-MLGOLLRUSA-N -1 1 333.815 3.467 20 10 EGCDMM C[C@@H](NC(=O)CN(C)Cc1ccccc1O)c1ccc(Cl)cc1 ZINC000109770536 454835092 /nfs/dbraw/zinc/83/50/92/454835092.db2.gz IVVCFTFSAMBUHG-CYBMUJFWSA-N -1 1 332.831 3.355 20 10 EGCDMM CC(=O)c1cc(Cl)cc(CN(C)Cc2nncn2C(C)C)c1[O-] ZINC000292400665 455651940 /nfs/dbraw/zinc/65/19/40/455651940.db2.gz LHLSZYVQMACCLU-UHFFFAOYSA-N -1 1 336.823 3.053 20 10 EGCDMM COc1ccc(S(=O)(=O)[N-]c2cc(C(C)C)c(O)cc2C)cn1 ZINC000284944542 455765121 /nfs/dbraw/zinc/76/51/21/455765121.db2.gz BKUBLXOCKNZBJL-UHFFFAOYSA-N -1 1 336.413 3.028 20 10 EGCDMM C[C@H](NC(=O)c1c(F)ccc(O)c1[O-])c1nc(C2CCCCC2)no1 ZINC000295378711 455847763 /nfs/dbraw/zinc/84/77/63/455847763.db2.gz SDLPLEVWMFHFEU-VIFPVBQESA-N -1 1 349.362 3.159 20 10 EGCDMM C[C@H]1CCC[C@H]1NC(=O)NCc1cccc(Br)c1[O-] ZINC000277428241 456821515 /nfs/dbraw/zinc/82/15/15/456821515.db2.gz LRJKAQBAHNNSOO-JOYOIKCWSA-N -1 1 327.222 3.143 20 10 EGCDMM CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](Cc3cnn(C)c3)C2)c1[O-] ZINC000370214900 457588208 /nfs/dbraw/zinc/58/82/08/457588208.db2.gz ISLKXKMCUWCRQX-CYBMUJFWSA-N -1 1 347.846 3.046 20 10 EGCDMM CC(=O)c1cc(Cl)cc(C[NH2+][C@H](C(=O)[O-])c2ccccc2)c1[O-] ZINC000819796676 601415383 /nfs/dbraw/zinc/41/53/83/601415383.db2.gz GWBLVVPHDABXDE-HNNXBMFYSA-N -1 1 333.771 3.164 20 10 EGCDMM CNC(=O)c1cccc(NCc2cccc(Br)c2[O-])c1C ZINC000048796628 1291618363 /nfs/dbraw/zinc/61/83/63/1291618363.db2.gz CASXNKHVGBCROV-UHFFFAOYSA-N -1 1 349.228 3.435 20 10 EGCDMM COCc1ccccc1S(=O)(=O)[N-]c1ccc(O)c(C(C)C)c1 ZINC000882798920 1302108558 /nfs/dbraw/zinc/10/85/58/1302108558.db2.gz JCFRUQNFMVRAFZ-UHFFFAOYSA-N -1 1 335.425 3.463 20 10 EGCDMM CCc1cc(NCc2cc(Br)cc(F)c2[O-])n(C)n1 ZINC000883035063 1302215301 /nfs/dbraw/zinc/21/53/01/1302215301.db2.gz PNRNVDZVWFSVMR-UHFFFAOYSA-N -1 1 328.185 3.202 20 10 EGCDMM [O-]c1c(F)cc(F)cc1CNc1cc(F)cc(N2CCOCC2)c1 ZINC000883060298 1302227540 /nfs/dbraw/zinc/22/75/40/1302227540.db2.gz GIBMVJXVWBCWDA-UHFFFAOYSA-N -1 1 338.329 3.258 20 10 EGCDMM CC[C@H](NCc1nnnn1C1CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775527547 1303979515 /nfs/dbraw/zinc/97/95/15/1303979515.db2.gz RAKPQEPRGPCMIH-NSHDSACASA-N -1 1 342.230 3.261 20 10 EGCDMM O=C(COC(=O)c1[nH]c2ccccc2c1Cl)c1ccc([O-])c(O)c1 ZINC000782793442 1305013009 /nfs/dbraw/zinc/01/30/09/1305013009.db2.gz QWTIINRVSZWJAL-UHFFFAOYSA-N -1 1 345.738 3.272 20 10 EGCDMM Cc1cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)cc2cccnc12 ZINC000783705764 1305130740 /nfs/dbraw/zinc/13/07/40/1305130740.db2.gz CQODPXFSHUKPLP-SFQUDFHCSA-N -1 1 329.359 3.005 20 10 EGCDMM C[C@H](CCc1ccccc1F)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783927601 1305163515 /nfs/dbraw/zinc/16/35/15/1305163515.db2.gz MSAYOCLZBUZJKN-GFCCVEGCSA-N -1 1 346.354 3.232 20 10 EGCDMM C[C@@H](Cc1cccc(Cl)c1)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784365092 1305235397 /nfs/dbraw/zinc/23/53/97/1305235397.db2.gz CXDCGRUDNIMXJS-NSHDSACASA-N -1 1 348.782 3.356 20 10 EGCDMM CC[C@@H](C(=O)OCC(=O)c1ccc([O-])c(O)c1)c1ccc(OC)cc1 ZINC000784564092 1305258590 /nfs/dbraw/zinc/25/85/90/1305258590.db2.gz UMAMGFWMIWVNOT-OAHLLOKOSA-N -1 1 344.363 3.026 20 10 EGCDMM Cc1oc2ccccc2c1CC(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784753290 1305280391 /nfs/dbraw/zinc/28/03/91/1305280391.db2.gz WGHCTADXPOVEOG-UHFFFAOYSA-N -1 1 340.331 3.121 20 10 EGCDMM CN(CCOc1cccc(Cl)c1)C(=O)c1c([O-])c(O)ccc1F ZINC000789951066 1306236252 /nfs/dbraw/zinc/23/62/52/1306236252.db2.gz WZQJGFVMYASMJY-UHFFFAOYSA-N -1 1 339.750 3.041 20 10 EGCDMM O=C(N[C@@H]1CCSc2ccc(F)cc21)c1c(F)ccc(O)c1[O-] ZINC000789948793 1306236284 /nfs/dbraw/zinc/23/62/84/1306236284.db2.gz DTCSQQHJQDLUMH-LLVKDONJSA-N -1 1 337.347 3.343 20 10 EGCDMM CCO[C@@H]1C[C@H](NC(=O)c2c(F)ccc(O)c2[O-])C12CCCCC2 ZINC000789987232 1306242825 /nfs/dbraw/zinc/24/28/25/1306242825.db2.gz QDWAKQMYIWGWCM-UONOGXRCSA-N -1 1 337.391 3.095 20 10 EGCDMM CC(C)[C@@H](CNC(=O)c1c(F)ccc(O)c1[O-])Nc1ccccc1 ZINC000790070184 1306257025 /nfs/dbraw/zinc/25/70/25/1306257025.db2.gz JQAVZEHFWXUXFL-CQSZACIVSA-N -1 1 332.375 3.103 20 10 EGCDMM CN(c1ccccc1)c1ccc(C=C2SC(=S)[N-]C2=O)cn1 ZINC000797785664 1310246638 /nfs/dbraw/zinc/24/66/38/1310246638.db2.gz ONAJCHAFZUETDV-UKTHLTGXSA-N -1 1 327.434 3.338 20 10 EGCDMM O=C1[N-]C(=S)S/C1=C\c1c(F)ccc(Br)c1F ZINC000799890089 1310634123 /nfs/dbraw/zinc/63/41/23/1310634123.db2.gz XQIFQWBSXBTSAG-CLTKARDFSA-N -1 1 336.182 3.216 20 10 EGCDMM O=C([O-])C[C@@H](NCc1ccc2c(c1)CCCO2)c1ccccc1F ZINC000900044858 1317226147 /nfs/dbraw/zinc/22/61/47/1317226147.db2.gz ARMRGLZFFJBNNO-QGZVFWFLSA-N -1 1 329.371 3.456 20 10 EGCDMM O=C(NCCCSc1nccs1)c1c(F)ccc([O-])c1F ZINC000809680212 1317861969 /nfs/dbraw/zinc/86/19/69/1317861969.db2.gz LRMYHBXVOAJWJM-UHFFFAOYSA-N -1 1 330.381 3.039 20 10 EGCDMM COCCNC(=O)c1cccc(NCc2cccc(Cl)c2[O-])c1 ZINC000809694175 1317867069 /nfs/dbraw/zinc/86/70/69/1317867069.db2.gz JIZSEXBHBROJID-UHFFFAOYSA-N -1 1 334.803 3.034 20 10 EGCDMM O=C1[N-]C(=S)S/C1=C\c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811627837 1318215716 /nfs/dbraw/zinc/21/57/16/1318215716.db2.gz YDICNYIDHYYYJA-UQCOIBPSSA-N -1 1 335.193 3.390 20 10 EGCDMM O=C(COC(=O)c1c(Cl)cccc1Cl)c1ccc([O-])c(O)c1 ZINC000916590040 1319679885 /nfs/dbraw/zinc/67/98/85/1319679885.db2.gz AWLXDUJXKGFNEN-UHFFFAOYSA-N -1 1 341.146 3.444 20 10 EGCDMM COCCN1C(=O)c2ccccc2N[C@H]1c1cccc(Cl)c1[O-] ZINC000917501343 1319823726 /nfs/dbraw/zinc/82/37/26/1319823726.db2.gz OSAPZLYBNJDTNW-MRXNPFEDSA-N -1 1 332.787 3.259 20 10 EGCDMM O=C(NC[C@H]1CCC[C@H](C(F)(F)F)C1)c1c(F)ccc(O)c1[O-] ZINC000826763167 1320402215 /nfs/dbraw/zinc/40/22/15/1320402215.db2.gz CUYIDVYOBFGYCL-IUCAKERBSA-N -1 1 335.297 3.335 20 10 EGCDMM Cc1cc(S(=O)(=O)Nc2c(F)cc([O-])cc2F)ccc1Cl ZINC001185529359 1387740736 /nfs/dbraw/zinc/74/07/36/1387740736.db2.gz BEPZLXKGCMAVBS-UHFFFAOYSA-N -1 1 333.743 3.433 20 10 EGCDMM Cc1cc([N-]S(=O)(=O)c2cnc(Cl)cc2C)c(C)cc1O ZINC001192351773 1367760531 /nfs/dbraw/zinc/76/05/31/1367760531.db2.gz RHESBXIKFNULJI-UHFFFAOYSA-N -1 1 326.805 3.167 20 10 EGCDMM CC(=O)Nc1ccc([C@@H](C)NC(=O)c2ccc(O)c([O-])c2Cl)cc1 ZINC001193254804 1367980713 /nfs/dbraw/zinc/98/07/13/1367980713.db2.gz KYHXINRMJKISRT-SECBINFHSA-N -1 1 348.786 3.201 20 10 EGCDMM O=C(c1ccccc1)c1ccccc1[N-]S(=O)(=O)CC1CCC1 ZINC001193506519 1368048004 /nfs/dbraw/zinc/04/80/04/1368048004.db2.gz MDHPJGUZHDFQJW-UHFFFAOYSA-N -1 1 329.421 3.459 20 10 EGCDMM O=C(COC(=O)C1(C(F)(F)F)CCCCC1)c1ccc([O-])c(O)c1 ZINC001327175494 1388424400 /nfs/dbraw/zinc/42/44/00/1388424400.db2.gz HOHRQOPKFGVOMH-UHFFFAOYSA-N -1 1 346.301 3.337 20 10 EGCDMM CCOc1ccc(N2CCN(Cc3ccc(C(=O)[O-])s3)CC2)cc1 ZINC001231466417 1376246753 /nfs/dbraw/zinc/24/67/53/1376246753.db2.gz YQMXHGGTBYUZTA-UHFFFAOYSA-N -1 1 346.452 3.167 20 10 EGCDMM [O-]c1cc(O)c(CN2[C@@H](C(F)(F)F)CCC[C@H]2CO)cc1Cl ZINC001232259887 1376425451 /nfs/dbraw/zinc/42/54/51/1376425451.db2.gz MSXAIEQUFIFFMY-TVQRCGJNSA-N -1 1 339.741 3.029 20 10 EGCDMM CC(C)O[C@H]1CCN(Cc2c([O-])cc(Br)cc2F)C1 ZINC001233029416 1376556391 /nfs/dbraw/zinc/55/63/91/1376556391.db2.gz DNHXIKOKNGAYRC-NSHDSACASA-N -1 1 332.213 3.293 20 10 EGCDMM CCOc1cccc(N2CCN(Cc3ccc(F)c(F)c3[O-])CC2)c1 ZINC001233078183 1376565146 /nfs/dbraw/zinc/56/51/46/1376565146.db2.gz KPVHQYYEOBRRGM-UHFFFAOYSA-N -1 1 348.393 3.391 20 10 EGCDMM CCCCCc1ccc(C(=O)NCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC001189205112 1388484385 /nfs/dbraw/zinc/48/43/85/1388484385.db2.gz MZZWVKUMFHCKPY-UHFFFAOYSA-N -1 1 341.407 3.443 20 10 EGCDMM Cc1cc(=O)oc2c1ccc([O-])c2CN1CCOc2ccccc2C1 ZINC001139129017 1377834694 /nfs/dbraw/zinc/83/46/94/1377834694.db2.gz KUWCINPLKMYOCG-UHFFFAOYSA-N -1 1 337.375 3.202 20 10 EGCDMM C[C@H]1CN(Cc2ccccc2)CCN1Cc1c(F)ccc(F)c1[O-] ZINC001139683065 1377933564 /nfs/dbraw/zinc/93/35/64/1377933564.db2.gz HKTNZBKXMLIOLX-AWEZNQCLSA-N -1 1 332.394 3.377 20 10 EGCDMM CC(C)(C)OC(=O)NC[C@@H]1CCCN1Cc1c(F)ccc(F)c1[O-] ZINC001139683363 1377933826 /nfs/dbraw/zinc/93/38/26/1377933826.db2.gz LZCLVZLXGCTKMC-NSHDSACASA-N -1 1 342.386 3.160 20 10 EGCDMM C[C@@H]1CN(Cc2ccc(Cl)cc2[O-])Cc2nnc(C(F)(F)F)n21 ZINC001140464253 1378067288 /nfs/dbraw/zinc/06/72/88/1378067288.db2.gz IPGPSAZJQQFYEB-MRVPVSSYSA-N -1 1 346.740 3.233 20 10 EGCDMM Cc1nc(C(F)(F)F)ccc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001170315326 1384289129 /nfs/dbraw/zinc/28/91/29/1384289129.db2.gz UWCJJOUGMAXHIP-UHFFFAOYSA-N -1 1 326.274 3.115 20 10 EGCDMM CCc1cc(NCC(=O)c2ccc([O-])c(O)c2)nnc1-c1ccccc1 ZINC001170315607 1384289323 /nfs/dbraw/zinc/28/93/23/1384289323.db2.gz BPVDKJCAGXMZKL-UHFFFAOYSA-N -1 1 349.390 3.412 20 10 EGCDMM CC1(C)CCNc2cc(NCC(=O)c3ccc([O-])c(O)c3)ccc21 ZINC001170320982 1384290476 /nfs/dbraw/zinc/29/04/76/1384290476.db2.gz SZDTWPZFPYKFFI-UHFFFAOYSA-N -1 1 326.396 3.486 20 10 EGCDMM O=C(CNc1cc(Cl)cnc1C(F)(F)F)c1ccc([O-])c(O)c1 ZINC001170323321 1384290851 /nfs/dbraw/zinc/29/08/51/1384290851.db2.gz WPDHVMABTFLMLG-UHFFFAOYSA-N -1 1 346.692 3.460 20 10 EGCDMM COc1ccc(N(C)Cc2ccccc2-c2nnn[n-]2)cc1Cl ZINC000821827663 1425907064 /nfs/dbraw/zinc/90/70/64/1425907064.db2.gz HKOTZAPHEVMDIW-UHFFFAOYSA-N -1 1 329.791 3.165 20 10 EGCDMM CC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000923467636 969650372 /nfs/dbraw/zinc/65/03/72/969650372.db2.gz KHWSWJDNXRGUAN-KRWDZBQOSA-N -1 1 339.819 3.325 20 10 EGCDMM C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1Cc1cc(Cl)cc(Br)c1[O-] ZINC000708069923 977413730 /nfs/dbraw/zinc/41/37/30/977413730.db2.gz DMXBFPIMKIHVOK-XCBNKYQSSA-N -1 1 348.624 3.103 20 10 EGCDMM C[C@H](NCc1ccn(-c2ccccc2)n1)c1cc(C(=O)[O-])ccc1O ZINC001593304036 994741062 /nfs/dbraw/zinc/74/10/62/994741062.db2.gz KUWXBTCRLXCCRA-ZDUSSCGKSA-N -1 1 337.379 3.127 20 10 EGCDMM [O-]c1c(Cl)cc(Cl)cc1CN(CCO)Cc1cccnc1 ZINC000093086056 454680573 /nfs/dbraw/zinc/68/05/73/454680573.db2.gz XWNWKUBFFSSKKQ-UHFFFAOYSA-N -1 1 327.211 3.089 20 10 EGCDMM COc1ccccc1[C@@H](C)NC(=O)[C@H](C)N(C)Cc1ccccc1O ZINC000109769643 454835191 /nfs/dbraw/zinc/83/51/91/454835191.db2.gz NWVJVQJHWIHZLD-CABCVRRESA-N -1 1 342.439 3.099 20 10 EGCDMM C[C@@H](c1ccc(F)cc1)N(C)C(=O)CN(C)Cc1ccccc1O ZINC000109770569 454835455 /nfs/dbraw/zinc/83/54/55/454835455.db2.gz VNTPKWONUGBOFC-AWEZNQCLSA-N -1 1 330.403 3.183 20 10 EGCDMM COc1ncccc1C[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000184985069 455481479 /nfs/dbraw/zinc/48/14/79/455481479.db2.gz ZTRBNSWQVGBHKR-SNVBAGLBSA-N -1 1 337.217 3.409 20 10 EGCDMM CCOC1(C(=O)NCc2cccc(Br)c2[O-])CCCC1 ZINC000286903738 456056811 /nfs/dbraw/zinc/05/68/11/456056811.db2.gz BUCKFLIYLFZMHJ-UHFFFAOYSA-N -1 1 342.233 3.120 20 10 EGCDMM CC(=O)c1cc(Cl)cc(C[NH+]2CCC([C@H]3CCOC3)CC2)c1[O-] ZINC000365037778 457725279 /nfs/dbraw/zinc/72/52/79/457725279.db2.gz PTZPNWIEIKCAFY-AWEZNQCLSA-N -1 1 337.847 3.497 20 10 EGCDMM Cc1cccc([N-]S(=O)(=O)c2cccc3nsnc32)c1Cl ZINC000525310153 459446674 /nfs/dbraw/zinc/44/66/74/459446674.db2.gz YFCYCGPTAJPQRA-UHFFFAOYSA-N -1 1 339.829 3.454 20 10 EGCDMM CC(=O)c1cc(F)cc(C[N@H+](CCC(=O)[O-])Cc2ccccc2)c1[O-] ZINC000825946543 601149349 /nfs/dbraw/zinc/14/93/49/601149349.db2.gz DGLZGVBZDPCKIP-UHFFFAOYSA-N -1 1 345.370 3.211 20 10 EGCDMM CC(=O)c1cc(F)cc(C[N@@H+](CCC(=O)[O-])Cc2ccccc2)c1[O-] ZINC000825946543 601149350 /nfs/dbraw/zinc/14/93/50/601149350.db2.gz DGLZGVBZDPCKIP-UHFFFAOYSA-N -1 1 345.370 3.211 20 10 EGCDMM CC(C)(C(=O)[O-])[C@@H]1CCC[N@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000833419994 604864217 /nfs/dbraw/zinc/86/42/17/604864217.db2.gz MXKAJGZGUPJBOR-CQSZACIVSA-N -1 1 328.412 3.263 20 10 EGCDMM CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000833419994 604864221 /nfs/dbraw/zinc/86/42/21/604864221.db2.gz MXKAJGZGUPJBOR-CQSZACIVSA-N -1 1 328.412 3.263 20 10 EGCDMM CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c1[O-] ZINC000833400392 604928153 /nfs/dbraw/zinc/92/81/53/604928153.db2.gz FVDPFGBJSLGKQM-CYBMUJFWSA-N -1 1 337.391 3.057 20 10 EGCDMM CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c1[O-] ZINC000833400392 604928158 /nfs/dbraw/zinc/92/81/58/604928158.db2.gz FVDPFGBJSLGKQM-CYBMUJFWSA-N -1 1 337.391 3.057 20 10 EGCDMM C[C@@H](NCc1cc(Cl)cc(Cl)c1[O-])c1nnc2n1CCC2 ZINC000037149476 1291399426 /nfs/dbraw/zinc/39/94/26/1291399426.db2.gz QEESFVRCAHSNCO-MRVPVSSYSA-N -1 1 327.215 3.088 20 10 EGCDMM O=C1OCCN1C1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000827741187 1292363686 /nfs/dbraw/zinc/36/36/86/1292363686.db2.gz ODLPBOINRJZCFZ-UHFFFAOYSA-N -1 1 345.226 3.116 20 10 EGCDMM O=C(N[C@H]1CC[C@@H](c2ccc(F)cc2)C1)c1c([O-])c(O)ccc1F ZINC000830924175 1292786179 /nfs/dbraw/zinc/78/61/79/1292786179.db2.gz TXTGVBNAGRBVHG-YPMHNXCESA-N -1 1 333.334 3.442 20 10 EGCDMM CC(=O)c1cc(Cl)cc(CN2CCOC[C@@H]2CC(C)C)c1[O-] ZINC000750046940 1299329182 /nfs/dbraw/zinc/32/91/82/1299329182.db2.gz JLBLWEAFNAHEES-HNNXBMFYSA-N -1 1 325.836 3.495 20 10 EGCDMM Cc1ccc2c(c1)C(=O)N[C@@H](c1cccc(Br)c1[O-])N2 ZINC000877861008 1299613934 /nfs/dbraw/zinc/61/39/34/1299613934.db2.gz DYPBZMPGAPWEME-AWEZNQCLSA-N -1 1 333.185 3.317 20 10 EGCDMM Cc1ccc2nc(CN[C@@H](C)c3cc([N+](=O)[O-])ccc3[O-])cn2c1 ZINC000756536287 1300516388 /nfs/dbraw/zinc/51/63/88/1300516388.db2.gz UCMFDPWXNAFWNL-LBPRGKRZSA-N -1 1 326.356 3.107 20 10 EGCDMM Cc1ccc(C[NH2+]Cc2cc(F)cc(F)c2O)c(O[C@H]2CCOC2)c1 ZINC000883040300 1302217719 /nfs/dbraw/zinc/21/77/19/1302217719.db2.gz WZCAAOIFSGWZAI-INIZCTEOSA-N -1 1 349.377 3.436 20 10 EGCDMM CC(C)CCO[C@H](C)C(=O)NCc1cccc(Br)c1[O-] ZINC000765769194 1302321904 /nfs/dbraw/zinc/32/19/04/1302321904.db2.gz JUKIFJHMXXNEJH-LLVKDONJSA-N -1 1 344.249 3.222 20 10 EGCDMM O=C1c2ccccc2N[C@@H](c2cccc(F)c2[O-])N1C[C@@H]1CCCO1 ZINC000778520269 1304458110 /nfs/dbraw/zinc/45/81/10/1304458110.db2.gz RJSRWFHKAHALLH-KPZWWZAWSA-N -1 1 342.370 3.277 20 10 EGCDMM Cc1ccc(CCCC(=O)OCC(=O)c2ccc([O-])c(O)c2)s1 ZINC000784045613 1305181587 /nfs/dbraw/zinc/18/15/87/1305181587.db2.gz RCBSFVOZFFSCMB-UHFFFAOYSA-N -1 1 334.393 3.217 20 10 EGCDMM O=C(COC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1ccc([O-])c(O)c1 ZINC000784365235 1305235793 /nfs/dbraw/zinc/23/57/93/1305235793.db2.gz FFAFKYVOHRQWON-GZBFAFLISA-N -1 1 332.396 3.430 20 10 EGCDMM O=C(COC(=O)c1scnc1C1CCCC1)c1ccc([O-])c(O)c1 ZINC000784710236 1305274868 /nfs/dbraw/zinc/27/48/68/1305274868.db2.gz OZYLKGQUXWBETL-UHFFFAOYSA-N -1 1 347.392 3.252 20 10 EGCDMM O=C(N[C@@H]1CCCOc2cc(F)ccc21)c1c(F)ccc(O)c1[O-] ZINC000790074178 1306258021 /nfs/dbraw/zinc/25/80/21/1306258021.db2.gz BSGYXPZKWVSILD-GFCCVEGCSA-N -1 1 335.306 3.020 20 10 EGCDMM CS(=O)(=O)Cc1cccc(NCc2c([O-])ccc(Cl)c2F)c1 ZINC000790984621 1308904667 /nfs/dbraw/zinc/90/46/67/1308904667.db2.gz WFABQISDPGZYCI-UHFFFAOYSA-N -1 1 343.807 3.341 20 10 EGCDMM C[N@@H+](Cc1cc(F)cc(F)c1O)[C@@H](CO)c1ccc(Cl)cc1 ZINC000894882492 1309113511 /nfs/dbraw/zinc/11/35/11/1309113511.db2.gz ADYTXEGHZQYEDD-HNNXBMFYSA-N -1 1 327.758 3.489 20 10 EGCDMM CCCc1nnc(NCc2cc(Br)cc(F)c2[O-])o1 ZINC000905408387 1317955705 /nfs/dbraw/zinc/95/57/05/1317955705.db2.gz RXQCYVCXZHSRKU-UHFFFAOYSA-N -1 1 330.157 3.241 20 10 EGCDMM [O-]c1c(Br)cccc1CN1C[C@@H](CO)c2ccccc21 ZINC000816637027 1319198859 /nfs/dbraw/zinc/19/88/59/1319198859.db2.gz PARKJDBQEVDLMJ-LBPRGKRZSA-N -1 1 334.213 3.251 20 10 EGCDMM CCN(CCOc1ccccc1C)C(=O)c1c(F)ccc(O)c1[O-] ZINC000817769465 1319441814 /nfs/dbraw/zinc/44/18/14/1319441814.db2.gz QIVHIEVAJHRFHQ-UHFFFAOYSA-N -1 1 333.359 3.086 20 10 EGCDMM O=C(c1ccc(O)c([O-])c1Cl)N1CC[C@@](CF)(C(F)(F)F)C1 ZINC001193219458 1367969734 /nfs/dbraw/zinc/96/97/34/1367969734.db2.gz ICNKDVLNSVYDDD-LBPRGKRZSA-N -1 1 341.688 3.115 20 10 EGCDMM COc1cccc2c1CC[C@H](NC(=O)c1ccc(O)c([O-])c1Cl)C2 ZINC001193236710 1367974797 /nfs/dbraw/zinc/97/47/97/1367974797.db2.gz ODBQSNGOGDDZFA-NSHDSACASA-N -1 1 347.798 3.047 20 10 EGCDMM [O-]c1c(Cl)cc(F)cc1CN1CCCC[C@](O)(C(F)(F)F)C1 ZINC001237804373 1376988432 /nfs/dbraw/zinc/98/84/32/1376988432.db2.gz COCVRZZIRRBTQC-CYBMUJFWSA-N -1 1 341.732 3.464 20 10 EGCDMM C[C@H]1CN(Cc2cc(Cl)cc(Br)c2[O-])CC[C@@]1(C)O ZINC001141367771 1378312027 /nfs/dbraw/zinc/31/20/27/1378312027.db2.gz PNKOTILHLBWJRS-LKFCYVNXSA-N -1 1 348.668 3.401 20 10 EGCDMM [O-]c1cc(F)c(F)cc1CN1CCN(c2ccc(F)c(F)c2)CC1 ZINC001142509066 1378451545 /nfs/dbraw/zinc/45/15/45/1378451545.db2.gz WCDRSMWPEOWCES-UHFFFAOYSA-N -1 1 340.320 3.271 20 10 EGCDMM CN(Cc1cncs1)Cc1cc(Br)c(F)cc1[O-] ZINC001144308275 1378714846 /nfs/dbraw/zinc/71/48/46/1378714846.db2.gz USWCGJXNZJUGFZ-UHFFFAOYSA-N -1 1 331.210 3.382 20 10 EGCDMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCc2cccc(O)c2C1 ZINC001148798031 1379269997 /nfs/dbraw/zinc/26/99/97/1379269997.db2.gz KDFMTEATKAFMIH-UHFFFAOYSA-N -1 1 337.297 3.315 20 10 EGCDMM Cc1nc2ccc(Cl)cc2c(NCC(=O)c2ccc([O-])c(O)c2)n1 ZINC001170316871 1384289117 /nfs/dbraw/zinc/28/91/17/1384289117.db2.gz SHQZSQCGWCSBEH-UHFFFAOYSA-N -1 1 343.770 3.298 20 10 EGCDMM COc1ccc(NCC(=O)c2ccc([O-])c(O)c2)cc1C(F)(F)F ZINC001170315329 1384289391 /nfs/dbraw/zinc/28/93/91/1384289391.db2.gz UZZONKQZVJFKPH-UHFFFAOYSA-N -1 1 341.285 3.420 20 10 EGCDMM O=C(CNc1cc(F)c(OC(F)F)c(F)c1)c1ccc([O-])c(O)c1 ZINC001170315208 1384289485 /nfs/dbraw/zinc/28/94/85/1384289485.db2.gz ULUCKNLWTKDCMI-UHFFFAOYSA-N -1 1 345.248 3.272 20 10 EGCDMM CC[N@@H+](CCC(=O)[O-])Cc1cc(Cl)cc(Br)c1[O-] ZINC000708070410 977414058 /nfs/dbraw/zinc/41/40/58/977414058.db2.gz HQLYYUODQPIBOC-UHFFFAOYSA-N -1 1 336.613 3.105 20 10 EGCDMM CCCN(Cc1nc2cc(C(=O)[O-])ccc2[nH]1)Cc1ccccc1O ZINC001595890777 982922051 /nfs/dbraw/zinc/92/20/51/982922051.db2.gz DGYSBVIEWCZXDL-UHFFFAOYSA-N -1 1 339.395 3.379 20 10 EGCDMM COC[C@@H](NCc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccc(C)o1 ZINC000177570758 454878557 /nfs/dbraw/zinc/87/85/57/454878557.db2.gz AIEGDMHXMLAYRD-GFCCVEGCSA-N -1 1 340.763 3.333 20 10 EGCDMM Cc1ccc(OC2CCN(C(=O)c3c(F)ccc(O)c3[O-])CC2)cc1 ZINC000294778370 455827846 /nfs/dbraw/zinc/82/78/46/455827846.db2.gz CMAPURZCOLBBJS-UHFFFAOYSA-N -1 1 345.370 3.229 20 10 EGCDMM CC(C)SCCNC(=O)NCc1cccc(Br)c1[O-] ZINC000287437176 456069407 /nfs/dbraw/zinc/06/94/07/456069407.db2.gz RTYLIUWSSGYRTB-UHFFFAOYSA-N -1 1 347.278 3.096 20 10 EGCDMM CC[C@H](Nc1cnn(CC(=O)NC2CC2)c1)c1cccc(Cl)c1[O-] ZINC000287768728 456077179 /nfs/dbraw/zinc/07/71/79/456077179.db2.gz RLALXFXJJBPHSX-HNNXBMFYSA-N -1 1 348.834 3.084 20 10 EGCDMM CCc1ccc([C@@H](COC)N[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])o1 ZINC000273557782 456239724 /nfs/dbraw/zinc/23/97/24/456239724.db2.gz HHRMDFQHBOYHHN-IAQYHMDHSA-N -1 1 334.372 3.494 20 10 EGCDMM CC[C@H](C)c1nnc([C@@H](C)N[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])[nH]1 ZINC000277231098 456734939 /nfs/dbraw/zinc/73/49/39/456734939.db2.gz MFEWRFDVBTYKLU-HBNTYKKESA-N -1 1 333.392 3.344 20 10 EGCDMM CC(=O)c1cc(Cl)cc(CN2CCOC[C@H]2c2ccco2)c1[O-] ZINC000364229985 457537355 /nfs/dbraw/zinc/53/73/55/457537355.db2.gz JGGWQIADIRWPMS-HNNXBMFYSA-N -1 1 335.787 3.415 20 10 EGCDMM [O-]c1ccc(Br)cc1C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000372434026 458302613 /nfs/dbraw/zinc/30/26/13/458302613.db2.gz UQIDHCXZYQINME-UHFFFAOYSA-N -1 1 336.233 3.257 20 10 EGCDMM C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000736591825 575988196 /nfs/dbraw/zinc/98/81/96/575988196.db2.gz BAKNQDHKOXVYBC-VXMWWYGOSA-N -1 1 347.480 3.359 20 10 EGCDMM Cc1cc(O)c(C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cc1C ZINC000833746935 604637167 /nfs/dbraw/zinc/63/71/67/604637167.db2.gz LZSPUDAPPHKAKC-UHFFFAOYSA-N -1 1 349.814 3.455 20 10 EGCDMM Cc1cc(O)c(C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cc1C ZINC000833746935 604637170 /nfs/dbraw/zinc/63/71/70/604637170.db2.gz LZSPUDAPPHKAKC-UHFFFAOYSA-N -1 1 349.814 3.455 20 10 EGCDMM C[N@@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1(C(=O)[O-])CCCCC1 ZINC000833695095 604642910 /nfs/dbraw/zinc/64/29/10/604642910.db2.gz ZLUMXOGTKOMIQX-UHFFFAOYSA-N -1 1 342.779 3.173 20 10 EGCDMM CC(C)OC[C@H](C(=O)[O-])N(C)Cc1cc(-c2ccccc2)ccc1O ZINC000833506028 604768248 /nfs/dbraw/zinc/76/82/48/604768248.db2.gz QORKLBSFLLLWRJ-GOSISDBHSA-N -1 1 343.423 3.369 20 10 EGCDMM COc1cccc(C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])c1 ZINC000833735563 604950979 /nfs/dbraw/zinc/95/09/79/604950979.db2.gz NYNJOOVUUKPNNR-UHFFFAOYSA-N -1 1 335.787 3.141 20 10 EGCDMM COc1cccc(C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])c1 ZINC000833735563 604950981 /nfs/dbraw/zinc/95/09/81/604950981.db2.gz NYNJOOVUUKPNNR-UHFFFAOYSA-N -1 1 335.787 3.141 20 10 EGCDMM CC(=O)c1cc(F)cc(C[N@H+](C)Cc2ccc3c(c2)OCO3)c1O ZINC000177235243 1294661012 /nfs/dbraw/zinc/66/10/12/1294661012.db2.gz MWQIBLGCEIKBJG-UHFFFAOYSA-N -1 1 331.343 3.095 20 10 EGCDMM O=C(c1cc(F)ccc1[O-])N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000179941504 1294844629 /nfs/dbraw/zinc/84/46/29/1294844629.db2.gz VZCNXAOGSKNEES-HNNXBMFYSA-N -1 1 345.370 3.058 20 10 EGCDMM C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc2ccccc2c1[O-] ZINC000186400042 1295323948 /nfs/dbraw/zinc/32/39/48/1295323948.db2.gz KCYDFECEWNZMNH-GFCCVEGCSA-N -1 1 337.375 3.318 20 10 EGCDMM CSc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(F)c(C)c1 ZINC000192155046 1295737278 /nfs/dbraw/zinc/73/72/78/1295737278.db2.gz MAUPPSPYBNGAFY-UHFFFAOYSA-N -1 1 327.402 3.362 20 10 EGCDMM CCCOc1ccc(CNCc2ccc(C(=O)[O-])c(C)n2)cc1C ZINC000871877751 1296586609 /nfs/dbraw/zinc/58/66/09/1296586609.db2.gz SVOFFMMDBUJVNQ-UHFFFAOYSA-N -1 1 328.412 3.475 20 10 EGCDMM CC[C@H]1CN(Cc2cc(Br)cc(F)c2[O-])CCCO1 ZINC000715738757 1298286635 /nfs/dbraw/zinc/28/66/35/1298286635.db2.gz QAVUYIKMPNALOL-LBPRGKRZSA-N -1 1 332.213 3.295 20 10 EGCDMM O=C(COC(=O)c1cc2ccccc2s1)c1ccc([O-])c(O)c1 ZINC000755145100 1300291808 /nfs/dbraw/zinc/29/18/08/1300291808.db2.gz LNQIPFRWCSGMCV-UHFFFAOYSA-N -1 1 328.345 3.352 20 10 EGCDMM C[C@H](NC(=O)NCc1cccc(Br)c1[O-])c1ccc[nH]1 ZINC000764798530 1302137906 /nfs/dbraw/zinc/13/79/06/1302137906.db2.gz DOLUCZJOPSIKSA-VIFPVBQESA-N -1 1 338.205 3.043 20 10 EGCDMM C[C@@H]1CC[C@H](NC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000764802950 1302139311 /nfs/dbraw/zinc/13/93/11/1302139311.db2.gz AVQODRQTIFGTIN-KOLCDFICSA-N -1 1 327.222 3.143 20 10 EGCDMM Cc1cnc(NC(=O)NCc2cccc(Br)c2[O-])s1 ZINC000765219442 1302222609 /nfs/dbraw/zinc/22/26/09/1302222609.db2.gz YUVNQNCHSLWHHG-UHFFFAOYSA-N -1 1 342.218 3.241 20 10 EGCDMM CS[C@H](C)CCC(=O)NCc1cccc(Br)c1[O-] ZINC000765734925 1302314088 /nfs/dbraw/zinc/31/40/88/1302314088.db2.gz ABIMMZRQVXBXSZ-SECBINFHSA-N -1 1 332.263 3.303 20 10 EGCDMM COc1ccc(O)c(CNC(=O)c2ccc(C(F)(F)F)cc2[O-])c1 ZINC000776477273 1304164199 /nfs/dbraw/zinc/16/41/99/1304164199.db2.gz RGYQGRNSIMPEMJ-UHFFFAOYSA-N -1 1 341.285 3.055 20 10 EGCDMM O=[N+]([O-])c1cc(Cl)cc(CN2CCC[C@H](OCC3CC3)C2)c1[O-] ZINC000779187854 1304540262 /nfs/dbraw/zinc/54/02/62/1304540262.db2.gz AFCXTJWRVWRWPM-AWEZNQCLSA-N -1 1 340.807 3.345 20 10 EGCDMM Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccccc1-c1ccno1 ZINC000782257381 1304941188 /nfs/dbraw/zinc/94/11/88/1304941188.db2.gz IGBWDGHTHCGQGN-UHFFFAOYSA-N -1 1 330.365 3.156 20 10 EGCDMM Cc1ccc(CCC(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1Cl ZINC000782617343 1304993948 /nfs/dbraw/zinc/99/39/48/1304993948.db2.gz BPXIPRBODSIMPK-UHFFFAOYSA-N -1 1 348.782 3.418 20 10 EGCDMM O=C(COC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1)c1ccc([O-])c(O)c1 ZINC000783300376 1305079258 /nfs/dbraw/zinc/07/92/58/1305079258.db2.gz CDZVOFNXTRZKIW-KBPBESRZSA-N -1 1 346.766 3.281 20 10 EGCDMM O=C(COC(=O)[C@@H](c1ccccc1)C1CC1)c1ccc([O-])c(O)c1 ZINC000784456514 1305246766 /nfs/dbraw/zinc/24/67/66/1305246766.db2.gz RAMAZCREAJBIES-SFHVURJKSA-N -1 1 326.348 3.018 20 10 EGCDMM CNC(=O)c1ccc(C[N@H+](Cc2cc(F)cc(F)c2O)C2CC2)cc1 ZINC000893946179 1306140377 /nfs/dbraw/zinc/14/03/77/1306140377.db2.gz MCYYIPXBFWAXHZ-UHFFFAOYSA-N -1 1 346.377 3.195 20 10 EGCDMM C[C@@H](NC(=O)c1c(F)ccc(O)c1[O-])c1ccc(OC(F)F)cc1 ZINC000789954163 1306235649 /nfs/dbraw/zinc/23/56/49/1306235649.db2.gz DXFIHBOHHOTBJT-MRVPVSSYSA-N -1 1 341.285 3.329 20 10 EGCDMM CCCCOc1ccc(CCNC(=O)c2c(F)ccc(O)c2[O-])cc1 ZINC000790069822 1306257154 /nfs/dbraw/zinc/25/71/54/1306257154.db2.gz VZOCKHDFUNNOLS-UHFFFAOYSA-N -1 1 347.386 3.388 20 10 EGCDMM C[C@H]1CC[C@@H](CNC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000793276338 1309338193 /nfs/dbraw/zinc/33/81/93/1309338193.db2.gz WPCAEYPJSHMUMO-WDEREUQCSA-N -1 1 341.249 3.390 20 10 EGCDMM Cc1noc2ncnc(NCc3cccc(Br)c3[O-])c12 ZINC000799960639 1310645018 /nfs/dbraw/zinc/64/50/18/1310645018.db2.gz YWJLYPLUSAUOTK-UHFFFAOYSA-N -1 1 335.161 3.006 20 10 EGCDMM COCCCn1cc(C)c(NCc2cc(Cl)cc(F)c2[O-])n1 ZINC000826685266 1320398318 /nfs/dbraw/zinc/39/83/18/1320398318.db2.gz BHIIDSNKHADYTM-UHFFFAOYSA-N -1 1 327.787 3.338 20 10 EGCDMM CCS(=O)(=O)[N-]c1cc(Cl)ccc1C(=O)c1ccc(F)cc1 ZINC000808575130 1317701032 /nfs/dbraw/zinc/70/10/32/1317701032.db2.gz HZJJOXFLQPNOMU-UHFFFAOYSA-N -1 1 341.791 3.472 20 10 EGCDMM O=C1[N-]C(=S)S/C1=C/c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811627836 1318215771 /nfs/dbraw/zinc/21/57/71/1318215771.db2.gz YDICNYIDHYYYJA-FARCUNLSSA-N -1 1 335.193 3.390 20 10 EGCDMM CCn1nc(C)c(CN[C@H](C)c2ccc(Cl)c(Cl)c2[O-])n1 ZINC000818347204 1319533294 /nfs/dbraw/zinc/53/32/94/1319533294.db2.gz YILPEJUXPDUQPF-MRVPVSSYSA-N -1 1 329.231 3.470 20 10 EGCDMM O=C(COC(=O)c1ccc(Cl)c(Cl)c1)c1ccc([O-])c(O)c1 ZINC000916590085 1319679696 /nfs/dbraw/zinc/67/96/96/1319679696.db2.gz GWEHDBZETYAGHL-UHFFFAOYSA-N -1 1 341.146 3.444 20 10 EGCDMM O=C(COC(=O)c1cccc(Cl)c1Cl)c1ccc([O-])c(O)c1 ZINC000916589967 1319680223 /nfs/dbraw/zinc/68/02/23/1319680223.db2.gz PLAJHNPYIIXQRE-UHFFFAOYSA-N -1 1 341.146 3.444 20 10 EGCDMM CC[N@@H+](Cc1snnc1C)Cc1cc(Br)ccc1O ZINC000844300950 1321587530 /nfs/dbraw/zinc/58/75/30/1321587530.db2.gz NSXOJBFLRXXELG-UHFFFAOYSA-N -1 1 342.262 3.337 20 10 EGCDMM CSCC1(CC(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000846013350 1321762445 /nfs/dbraw/zinc/76/24/45/1321762445.db2.gz AQCGHEBOCQYMFU-UHFFFAOYSA-N -1 1 344.274 3.304 20 10 EGCDMM O=[N+]([O-])c1cc(Cl)cc(CN2CCC[C@H](OC3CCC3)C2)c1[O-] ZINC000848925172 1322047179 /nfs/dbraw/zinc/04/71/79/1322047179.db2.gz PPBJCOTWJMXYDV-AWEZNQCLSA-N -1 1 340.807 3.487 20 10 EGCDMM CC(C)(C)C[C@H]([NH2+]Cc1c([O-])cccc1Br)C(=O)[O-] ZINC000864506856 1329619876 /nfs/dbraw/zinc/61/98/76/1329619876.db2.gz CRLBALJSGBRTHG-NSHDSACASA-N -1 1 330.222 3.134 20 10 EGCDMM O=C([O-])[C@@H]1CCCCC[C@@H]1[NH2+]Cc1c([O-])cccc1Br ZINC000864516527 1329621101 /nfs/dbraw/zinc/62/11/01/1329621101.db2.gz JRWHDXWSYPQIFW-MFKMUULPSA-N -1 1 342.233 3.278 20 10 EGCDMM CCC(C)(C)[C@@H]([NH2+]Cc1c([O-])cccc1Br)C(=O)[O-] ZINC000864516845 1329621131 /nfs/dbraw/zinc/62/11/31/1329621131.db2.gz RMAXYHKRBWACRX-LBPRGKRZSA-N -1 1 330.222 3.134 20 10 EGCDMM CC[C@@H](NCc1nnc(C)n1C)c1cc(Cl)cc(Cl)c1[O-] ZINC001322975257 1387258407 /nfs/dbraw/zinc/25/84/07/1387258407.db2.gz OZMIMRDRCNVXCP-GFCCVEGCSA-N -1 1 329.231 3.377 20 10 EGCDMM COc1ccc(Cl)c(S(=O)(=O)Nc2c(F)cc([O-])cc2F)c1 ZINC001189609152 1367066852 /nfs/dbraw/zinc/06/68/52/1367066852.db2.gz JZBZENPFPVVZKH-UHFFFAOYSA-N -1 1 349.742 3.133 20 10 EGCDMM O=C(Nc1cnc(-c2ccccc2)cn1)c1ccc(O)c([O-])c1Cl ZINC001193208988 1367965982 /nfs/dbraw/zinc/96/59/82/1367965982.db2.gz DMDUYNLNQGTSCH-UHFFFAOYSA-N -1 1 341.754 3.461 20 10 EGCDMM O=C(Nc1cc(-c2ccncc2)no1)c1ccc(O)c([O-])c1Cl ZINC001193220012 1367970261 /nfs/dbraw/zinc/97/02/61/1367970261.db2.gz OZGGXXSSKWXMTA-UHFFFAOYSA-N -1 1 331.715 3.054 20 10 EGCDMM C[C@H](Oc1c(O)c(O)ccc1C(=O)c1ccc([O-])cc1)C(F)(F)F ZINC001228110922 1375518265 /nfs/dbraw/zinc/51/82/65/1375518265.db2.gz OMLRGCBSUHONRW-QMMMGPOBSA-N -1 1 342.269 3.364 20 10 EGCDMM [O-]c1ccc(F)c(F)c1CN1CC[C@@H](N2CCCCC2)C(F)(F)C1 ZINC001233336319 1376619470 /nfs/dbraw/zinc/61/94/70/1376619470.db2.gz HQEIYEIIHQCQHS-OAHLLOKOSA-N -1 1 346.368 3.366 20 10 EGCDMM O=S(=O)(CCc1ccc(Cl)cc1)Nc1cc(F)c([O-])cc1F ZINC001189109271 1388460649 /nfs/dbraw/zinc/46/06/49/1388460649.db2.gz XLJFIFWKQRCCOS-UHFFFAOYSA-N -1 1 347.770 3.308 20 10 EGCDMM CC(C)COC[C@@H]1CN(Cc2c([O-])cccc2F)Cc2ncn(C)c21 ZINC001137834589 1377625389 /nfs/dbraw/zinc/62/53/89/1377625389.db2.gz MAAPEIVCTXZQPG-AWEZNQCLSA-N -1 1 347.434 3.037 20 10 EGCDMM C[C@@H]1CN(Cc2c([O-])cccc2Cl)Cc2nnc(C(F)(F)F)n21 ZINC001140341783 1378050147 /nfs/dbraw/zinc/05/01/47/1378050147.db2.gz HOWWIPMYCQYBFX-MRVPVSSYSA-N -1 1 346.740 3.233 20 10 EGCDMM CCOC(=O)C1(CC)CCN(Cc2c([O-])cc(F)cc2F)CC1 ZINC001140585416 1378090204 /nfs/dbraw/zinc/09/02/04/1378090204.db2.gz ISQGOYKJAXAGQC-UHFFFAOYSA-N -1 1 327.371 3.226 20 10 EGCDMM O=C1c2ccccc2C(=O)c2cc(Nc3ccc(CO)cc3)c([O-])cc21 ZINC001175567864 1385334953 /nfs/dbraw/zinc/33/49/53/1385334953.db2.gz UZAKWBMWKKJYMP-UHFFFAOYSA-N -1 1 345.354 3.404 20 10 EGCDMM C[C@H](C(=O)[O-])[N@@H+](Cc1cc(Cl)cc(Br)c1[O-])C1CC1 ZINC001573381814 958666210 /nfs/dbraw/zinc/66/62/10/958666210.db2.gz NYYXLVCYKBZLFP-SSDOTTSWSA-N -1 1 348.624 3.246 20 10 EGCDMM Cc1cc(Br)c([O-])c(C[N@@H+]2C[C@H](C(=O)[O-])CC[C@@H]2C)c1 ZINC000817880877 969184960 /nfs/dbraw/zinc/18/49/60/969184960.db2.gz LBMFMZVQYKKWPE-WDEREUQCSA-N -1 1 342.233 3.148 20 10 EGCDMM C[C@@H](NC/C=C\c1ccc(N(C)C)cc1)c1ncc(C(=O)[O-])s1 ZINC000901909446 980622571 /nfs/dbraw/zinc/62/25/71/980622571.db2.gz CDBPDLSNRFSKIO-QMAVJUDZSA-N -1 1 331.441 3.271 20 10 EGCDMM [O-]c1ccc(Br)cc1C[NH+]1CCC([C@H]2CCOC2)CC1 ZINC000373253682 458443652 /nfs/dbraw/zinc/44/36/52/458443652.db2.gz VVMGLDQOYKNZLD-ZDUSSCGKSA-N -1 1 340.261 3.403 20 10 EGCDMM CC(=O)c1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2O)cc1 ZINC000109769971 454836202 /nfs/dbraw/zinc/83/62/02/454836202.db2.gz CYLLBEOBHVQFQU-CYBMUJFWSA-N -1 1 326.396 3.054 20 10 EGCDMM C[N@@H+](Cc1ccc(S(=O)(=O)C(F)F)cc1)Cc1ccccc1O ZINC000111235112 454859289 /nfs/dbraw/zinc/85/92/89/454859289.db2.gz AOJXWEYIKKQNRH-UHFFFAOYSA-N -1 1 341.379 3.021 20 10 EGCDMM O=C(N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1c(F)ccc(O)c1[O-] ZINC000294872904 455831187 /nfs/dbraw/zinc/83/11/87/455831187.db2.gz FFEKWAQZJHRDTO-SWLSCSKDSA-N -1 1 349.333 3.026 20 10 EGCDMM O=C(c1c([O-])c(O)ccc1F)N1CCSC2(CCCCC2)C1 ZINC000276664230 456545519 /nfs/dbraw/zinc/54/55/19/456545519.db2.gz YKHUQMXOWFQHRM-UHFFFAOYSA-N -1 1 325.405 3.129 20 10 EGCDMM COc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C)c2cccnc12 ZINC000743259809 576804402 /nfs/dbraw/zinc/80/44/02/576804402.db2.gz NMBKOVJCZWEJOA-UHFFFAOYSA-N -1 1 344.392 3.058 20 10 EGCDMM C[C@@]1(C(=O)[O-])CC[N@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C1 ZINC000828029368 601893901 /nfs/dbraw/zinc/89/39/01/601893901.db2.gz ZHUFTGZHJIHWAQ-LJQANCHMSA-N -1 1 329.396 3.314 20 10 EGCDMM C[C@@]1(C(=O)[O-])CC[N@@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C1 ZINC000828029368 601893903 /nfs/dbraw/zinc/89/39/03/601893903.db2.gz ZHUFTGZHJIHWAQ-LJQANCHMSA-N -1 1 329.396 3.314 20 10 EGCDMM C[C@@H](NCc1nc2cc(F)ccc2n1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756733581 1300557216 /nfs/dbraw/zinc/55/72/16/1300557216.db2.gz QTIHOWFLVICFHM-SNVBAGLBSA-N -1 1 344.346 3.177 20 10 EGCDMM Cc1nnc(CN[C@H](C)c2cc(Br)c(F)cc2[O-])s1 ZINC000757636604 1300700376 /nfs/dbraw/zinc/70/03/76/1300700376.db2.gz CSNQVNYGZBKEHP-ZCFIWIBFSA-N -1 1 346.225 3.305 20 10 EGCDMM CC(=O)c1cc(Cl)cc(CN2CCc3ccccc3[C@H]2CO)c1[O-] ZINC000761907147 1301563909 /nfs/dbraw/zinc/56/39/09/1301563909.db2.gz HTCKYVQHEFSDHV-GOSISDBHSA-N -1 1 345.826 3.340 20 10 EGCDMM COc1cc(NCc2cc(F)cc(F)c2[O-])cc(OC)c1OC ZINC000882906447 1302158007 /nfs/dbraw/zinc/15/80/07/1302158007.db2.gz GKQRRMQFPQIGTA-UHFFFAOYSA-N -1 1 325.311 3.308 20 10 EGCDMM Cc1c(CS(C)(=O)=O)cccc1NCc1cc(F)cc(F)c1[O-] ZINC000883007633 1302203122 /nfs/dbraw/zinc/20/31/22/1302203122.db2.gz BQQSZPDSTZAXLZ-UHFFFAOYSA-N -1 1 341.379 3.136 20 10 EGCDMM Cc1cccc(CC(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765733608 1302315415 /nfs/dbraw/zinc/31/54/15/1302315415.db2.gz YYMLIGKUYZBZPQ-UHFFFAOYSA-N -1 1 334.213 3.322 20 10 EGCDMM O=C(/C=C\c1ccc(O)cc1)NCc1cccc(Br)c1[O-] ZINC000765728488 1302315476 /nfs/dbraw/zinc/31/54/76/1302315476.db2.gz UCEBIZTUVQDRQO-TWGQIWQCSA-N -1 1 348.196 3.190 20 10 EGCDMM CN(C)c1cccc(C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765943320 1302355711 /nfs/dbraw/zinc/35/57/11/1302355711.db2.gz ILKHTFZKHONQRY-UHFFFAOYSA-N -1 1 349.228 3.151 20 10 EGCDMM CCOc1cccc(N2CCN(Cc3cccc(Cl)c3[O-])CC2)n1 ZINC000775659464 1304008184 /nfs/dbraw/zinc/00/81/84/1304008184.db2.gz XKOHPKSAPSWMMM-UHFFFAOYSA-N -1 1 347.846 3.162 20 10 EGCDMM Cc1cc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c(C)n1C(C)C ZINC000781966092 1304896979 /nfs/dbraw/zinc/89/69/79/1304896979.db2.gz HEYAIKINPNSBSV-UHFFFAOYSA-N -1 1 331.368 3.137 20 10 EGCDMM CC(C)(C(=O)OCC(=O)c1ccc([O-])c(O)c1)c1ccc(Cl)cc1 ZINC000783083756 1305046036 /nfs/dbraw/zinc/04/60/36/1305046036.db2.gz DHFZMJUAXPTGCB-UHFFFAOYSA-N -1 1 348.782 3.455 20 10 EGCDMM COc1ccc(NCc2c([O-])ccc(Cl)c2F)cc1NC(N)=O ZINC000785562690 1305379482 /nfs/dbraw/zinc/37/94/82/1305379482.db2.gz JCWPBHDMDZEYKS-UHFFFAOYSA-N -1 1 339.754 3.296 20 10 EGCDMM COc1ccc(NCc2cc(Cl)cc(F)c2[O-])cc1NC(N)=O ZINC000787316207 1305730419 /nfs/dbraw/zinc/73/04/19/1305730419.db2.gz OHXPWZFRRQZMKB-UHFFFAOYSA-N -1 1 339.754 3.296 20 10 EGCDMM COC(=O)c1cccc2[nH]c(NCc3c([O-])ccc(Cl)c3F)nc21 ZINC000787796093 1305796465 /nfs/dbraw/zinc/79/64/65/1305796465.db2.gz OLJMGRKNUNUJAU-UHFFFAOYSA-N -1 1 349.749 3.460 20 10 EGCDMM CCn1nnnc1-c1cccc(NCc2c([O-])ccc(Cl)c2F)c1 ZINC000790980988 1308903347 /nfs/dbraw/zinc/90/33/47/1308903347.db2.gz KMNWXOKUXZJNRY-UHFFFAOYSA-N -1 1 347.781 3.470 20 10 EGCDMM CC1(C)CN(Cc2cc(Cl)cc(Br)c2[O-])CC[C@@H]1O ZINC000894535906 1308944698 /nfs/dbraw/zinc/94/46/98/1308944698.db2.gz YLOGMWQDAJOIIQ-LBPRGKRZSA-N -1 1 348.668 3.401 20 10 EGCDMM O=S(=O)([N-]c1cccc(F)c1Cl)c1cccc2nsnc21 ZINC000808567998 1317700462 /nfs/dbraw/zinc/70/04/62/1317700462.db2.gz BALBFJIKDDRPQB-UHFFFAOYSA-N -1 1 343.792 3.285 20 10 EGCDMM O=S(=O)([N-]c1ccc(O)cc1F)c1ccc(C(F)(F)F)s1 ZINC000812270339 1318355449 /nfs/dbraw/zinc/35/54/49/1318355449.db2.gz DICYOQFWSOOXPV-UHFFFAOYSA-N -1 1 341.307 3.412 20 10 EGCDMM CC[C@@H](NCc1ncn(-c2ccccc2)n1)c1ccc(F)cc1[O-] ZINC000815658323 1319039146 /nfs/dbraw/zinc/03/91/46/1319039146.db2.gz ZCCYUSSDJWWKFR-MRXNPFEDSA-N -1 1 326.375 3.353 20 10 EGCDMM [O-]c1cc(F)c(Cl)cc1CNc1ccc(N2CCOCC2)cn1 ZINC000816536784 1319177121 /nfs/dbraw/zinc/17/71/21/1319177121.db2.gz JZQUUAQXTVLCPD-UHFFFAOYSA-N -1 1 337.782 3.028 20 10 EGCDMM COCCOc1ccc(NCc2cc(Cl)c(F)cc2[O-])cn1 ZINC000816558288 1319183146 /nfs/dbraw/zinc/18/31/46/1319183146.db2.gz SQGHFDPEIBGBDT-UHFFFAOYSA-N -1 1 326.755 3.217 20 10 EGCDMM Cc1cc(Br)cc(C[N@H+]2C[C@H](C)C[C@@H](C(=O)[O-])C2)c1O ZINC000817881701 1319451854 /nfs/dbraw/zinc/45/18/54/1319451854.db2.gz MTNLIZCQRVIYIE-BXKDBHETSA-N -1 1 342.233 3.006 20 10 EGCDMM CCC[C@H](C(=O)OCC(=O)c1ccc([O-])c(O)c1)c1ccccc1 ZINC000916594058 1319681532 /nfs/dbraw/zinc/68/15/32/1319681532.db2.gz MHLGPXLIVFVHGR-HNNXBMFYSA-N -1 1 328.364 3.408 20 10 EGCDMM Cc1ccc(SCC(=O)OCC(=O)c2ccc([O-])c(O)c2)c(C)c1 ZINC000916603260 1319682145 /nfs/dbraw/zinc/68/21/45/1319682145.db2.gz RQLHEHUZSMSNMO-UHFFFAOYSA-N -1 1 346.404 3.233 20 10 EGCDMM COc1ccc(N(C)CCN(C)C(=O)c2ccc(Cl)cc2[O-])cc1 ZINC000844851902 1321650705 /nfs/dbraw/zinc/65/07/05/1321650705.db2.gz KURFHMUITROCPF-UHFFFAOYSA-N -1 1 348.830 3.263 20 10 EGCDMM Cc1ccc([C@@H]2C[C@H]2C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1C ZINC000850272641 1322221733 /nfs/dbraw/zinc/22/17/33/1322221733.db2.gz YHMQYKKVPPAVOB-JKSUJKDBSA-N -1 1 340.375 3.244 20 10 EGCDMM CC(C)C[C@H](C[NH2+]Cc1cc(Br)ccc1[O-])CC(=O)[O-] ZINC000854244221 1325234433 /nfs/dbraw/zinc/23/44/33/1325234433.db2.gz VJXFIIBUDZYISL-NSHDSACASA-N -1 1 344.249 3.381 20 10 EGCDMM CN(C)c1cc(F)c(CN[C@H](CC(=O)[O-])c2ccsc2)cc1F ZINC000864503483 1329619438 /nfs/dbraw/zinc/61/94/38/1329619438.db2.gz CNFDOUPLCLUPOZ-CQSZACIVSA-N -1 1 340.395 3.398 20 10 EGCDMM N[C@@]1(C(F)(F)F)CCN(Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001206245256 1371002185 /nfs/dbraw/zinc/00/21/85/1371002185.db2.gz SACXKNSFCGHEJW-NSHDSACASA-N -1 1 329.149 3.165 20 10 EGCDMM CC[C@H](NCc1nnc(C)n1C)c1ccc(Cl)c(Cl)c1[O-] ZINC001324137070 1387546907 /nfs/dbraw/zinc/54/69/07/1387546907.db2.gz UHNXOUIYVVKHKB-NSHDSACASA-N -1 1 329.231 3.377 20 10 EGCDMM Cc1cc(S(=O)(=O)[N-]c2c(C)cc(O)cc2C)cnc1Cl ZINC001192571860 1367821765 /nfs/dbraw/zinc/82/17/65/1367821765.db2.gz NQISIZWOMWEKFB-UHFFFAOYSA-N -1 1 326.805 3.167 20 10 EGCDMM O=C(NCc1cc(Cl)c2cccnc2c1O)c1ccc([O-])c(F)c1 ZINC001186236596 1387902561 /nfs/dbraw/zinc/90/25/61/1387902561.db2.gz HEHBYAWRDZFLAB-UHFFFAOYSA-N -1 1 346.745 3.369 20 10 EGCDMM Cn1ccc2cc(CNC(=O)c3ccc(O)c([O-])c3Cl)ccc21 ZINC001193209899 1367967070 /nfs/dbraw/zinc/96/70/70/1367967070.db2.gz PTELFLICDRNNOI-UHFFFAOYSA-N -1 1 330.771 3.173 20 10 EGCDMM COc1cc(Cl)ncc1NC(=O)c1ccc(O)c([O-])c1Cl ZINC001193219388 1367970062 /nfs/dbraw/zinc/97/00/62/1367970062.db2.gz GTLSEBVSOFWIOZ-UHFFFAOYSA-N -1 1 329.139 3.061 20 10 EGCDMM O=C(c1ccc(O)c([O-])c1Cl)N1CC[C@@H]1COCc1ccccc1 ZINC001193226014 1367971522 /nfs/dbraw/zinc/97/15/22/1367971522.db2.gz WGHSQYYOAOWTCF-CYBMUJFWSA-N -1 1 347.798 3.183 20 10 EGCDMM CN(CC/C=C/c1cccnc1)C(=O)c1ccc(O)c([O-])c1Cl ZINC001193231970 1367972605 /nfs/dbraw/zinc/97/26/05/1367972605.db2.gz CUROZCCGCWHVBH-GORDUTHDSA-N -1 1 332.787 3.322 20 10 EGCDMM O=C(Nc1cccc(Cl)c1CO)c1ccc(O)c([O-])c1Cl ZINC001193229223 1367972714 /nfs/dbraw/zinc/97/27/14/1367972714.db2.gz FTMLDULNVVIVRJ-UHFFFAOYSA-N -1 1 328.151 3.149 20 10 EGCDMM Cc1ccc(CCCNC(=O)c2ccc(O)c([O-])c2Cl)s1 ZINC001193236874 1367975514 /nfs/dbraw/zinc/97/55/14/1367975514.db2.gz SEORXNFRUMNIIT-UHFFFAOYSA-N -1 1 325.817 3.484 20 10 EGCDMM COc1ncccc1[C@@H](NC(=O)c1ccc(O)c([O-])c1Cl)C1CC1 ZINC001193247384 1367979239 /nfs/dbraw/zinc/97/92/39/1367979239.db2.gz WVYJPIMRHCWPIV-AWEZNQCLSA-N -1 1 348.786 3.036 20 10 EGCDMM Cc1cccc(C(C)(C)CNC(=O)c2ccc(O)c([O-])c2Cl)n1 ZINC001193247018 1367980055 /nfs/dbraw/zinc/98/00/55/1367980055.db2.gz IBQCZGHDKQYMGF-UHFFFAOYSA-N -1 1 334.803 3.162 20 10 EGCDMM COc1cc(C)c(S(=O)(=O)Nc2cc(F)c([O-])cc2F)c(C)c1 ZINC001196887403 1368707207 /nfs/dbraw/zinc/70/72/07/1368707207.db2.gz DZZNMFFUKREZGT-UHFFFAOYSA-N -1 1 343.351 3.097 20 10 EGCDMM O=C1c2ccccc2C(=O)c2cc(Nc3ncccc3F)c([O-])cc21 ZINC001209811605 1372205453 /nfs/dbraw/zinc/20/54/53/1372205453.db2.gz UJSXHTLUJDQBHJ-UHFFFAOYSA-N -1 1 334.306 3.445 20 10 EGCDMM COc1ccc(-c2noc(-c3ccc(O)c([O-])c3Cl)n2)c(OC)c1 ZINC001216951859 1373369823 /nfs/dbraw/zinc/36/98/23/1373369823.db2.gz MPDJFYFDDSERKN-UHFFFAOYSA-N -1 1 348.742 3.485 20 10 EGCDMM COc1nccc(C)c1-c1noc(-c2ccc(O)c([O-])c2Cl)n1 ZINC001216954387 1373370931 /nfs/dbraw/zinc/37/09/31/1373370931.db2.gz YABQMXDSOPBDPE-UHFFFAOYSA-N -1 1 333.731 3.180 20 10 EGCDMM [O-]c1ccc(F)c(F)c1CN1CCc2c(cnn2-c2ccccc2)C1 ZINC001233335256 1376619895 /nfs/dbraw/zinc/61/98/95/1376619895.db2.gz NRYSRCNDVGKJFR-UHFFFAOYSA-N -1 1 341.361 3.414 20 10 EGCDMM O=S(=O)(CCc1ccc(Cl)cc1)Nc1c(F)cc([O-])cc1F ZINC001189110132 1388459867 /nfs/dbraw/zinc/45/98/67/1388459867.db2.gz IZSKYZVYUJAUFH-UHFFFAOYSA-N -1 1 347.770 3.308 20 10 EGCDMM [O-]c1c(Br)cc(F)cc1CN1CCC[C@@]12CCOC2 ZINC001235305560 1376866665 /nfs/dbraw/zinc/86/66/65/1376866665.db2.gz NUARZBHMTWZHNJ-AWEZNQCLSA-N -1 1 330.197 3.049 20 10 EGCDMM [O-]c1c(F)cccc1CN1CC[C@H](N2CCCCC2)C(F)(F)C1 ZINC001138130561 1377682840 /nfs/dbraw/zinc/68/28/40/1377682840.db2.gz CRLRDTVYVREFAR-HNNXBMFYSA-N -1 1 328.378 3.227 20 10 EGCDMM Cc1cccc(OC2CCN(Cc3c(F)ccc(F)c3[O-])CC2)n1 ZINC001139690688 1377935366 /nfs/dbraw/zinc/93/53/66/1377935366.db2.gz ZOHJBFCVTXLUMY-UHFFFAOYSA-N -1 1 334.366 3.417 20 10 EGCDMM COC(=O)c1ccc2c(c1)CN(Cc1cc(F)c(F)cc1[O-])CC2 ZINC001142524569 1378453427 /nfs/dbraw/zinc/45/34/27/1378453427.db2.gz BIPLOQSYQZJPOV-UHFFFAOYSA-N -1 1 333.334 3.015 20 10 EGCDMM COc1ccc(N2CCN(Cc3sccc3C(=O)[O-])CC2)c(C)c1 ZINC001144685077 1378760478 /nfs/dbraw/zinc/76/04/78/1378760478.db2.gz VTOLKHHJKACLIE-UHFFFAOYSA-N -1 1 346.452 3.086 20 10 EGCDMM O=C(CNc1ncc(Cl)cc1C(F)F)c1ccc([O-])c(O)c1 ZINC001170314094 1384288300 /nfs/dbraw/zinc/28/83/00/1384288300.db2.gz MYRHCYJNDMSBAG-UHFFFAOYSA-N -1 1 328.702 3.379 20 10 EGCDMM Cc1cc(NCC(=O)c2ccc([O-])c(O)c2)nc(-c2ccccc2)n1 ZINC001170313914 1384288842 /nfs/dbraw/zinc/28/88/42/1384288842.db2.gz IPVOKFDSWBHRNJ-UHFFFAOYSA-N -1 1 335.363 3.158 20 10 EGCDMM CN(Cc1c(O)ccc2ccccc21)c1ccccc1-c1nnn[n-]1 ZINC000825953190 1425634694 /nfs/dbraw/zinc/63/46/94/1425634694.db2.gz ACBOCGPZLFMPAV-UHFFFAOYSA-N -1 1 331.379 3.362 20 10 EGCDMM O=C([O-])CC[C@@H]1CCCC[N@@H+]1Cc1ccc(Br)cc1[O-] ZINC000691422858 954684072 /nfs/dbraw/zinc/68/40/72/954684072.db2.gz KCDVHEWQMPNPSE-ZDUSSCGKSA-N -1 1 342.233 3.374 20 10 EGCDMM O=C([O-])CC[C@@H]1CCCC[N@H+]1Cc1ccc(Br)cc1[O-] ZINC000691422858 954684079 /nfs/dbraw/zinc/68/40/79/954684079.db2.gz KCDVHEWQMPNPSE-ZDUSSCGKSA-N -1 1 342.233 3.374 20 10 EGCDMM O=C([O-])[C@@H]1CCC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC001574753067 957726197 /nfs/dbraw/zinc/72/61/97/957726197.db2.gz QJVNBXRHCUBZIM-KRWDZBQOSA-N -1 1 327.380 3.020 20 10 EGCDMM CN(C)c1cc(F)c(CN[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1F ZINC001573991150 961828945 /nfs/dbraw/zinc/82/89/45/961828945.db2.gz BCBZCTXAFBNVDD-MRXNPFEDSA-N -1 1 338.329 3.085 20 10 EGCDMM Cc1cccc([C@H](NCc2cc(F)c(N(C)C)cc2F)C(=O)[O-])c1 ZINC001605331456 973209858 /nfs/dbraw/zinc/20/98/58/973209858.db2.gz VNLHPDIOXBHLPZ-KRWDZBQOSA-N -1 1 334.366 3.255 20 10 EGCDMM C[C@H]1[C@H](C(=O)[O-])CC[N@H+]1Cc1cc(Cl)cc(Br)c1[O-] ZINC000708069921 977413947 /nfs/dbraw/zinc/41/39/47/977413947.db2.gz DMXBFPIMKIHVOK-OIBJUYFYSA-N -1 1 348.624 3.103 20 10 EGCDMM COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)N(C)Cc1ccccc1O ZINC000109769638 454835414 /nfs/dbraw/zinc/83/54/14/454835414.db2.gz NWVJVQJHWIHZLD-HUUCEWRRSA-N -1 1 342.439 3.099 20 10 EGCDMM C[C@H](NC(=O)CN(C)Cc1ccccc1O)c1ccccc1Cl ZINC000109769342 454836168 /nfs/dbraw/zinc/83/61/68/454836168.db2.gz CHNDSGHTKHGIOJ-ZDUSSCGKSA-N -1 1 332.831 3.355 20 10 EGCDMM Cc1ccc([C@H]2CCN(C(=O)c3c([O-])c(O)ccc3F)C2)c(C)c1 ZINC000296042450 455867253 /nfs/dbraw/zinc/86/72/53/455867253.db2.gz ANTKSOWFVWDEAP-ZDUSSCGKSA-N -1 1 329.371 3.483 20 10 EGCDMM CC(C)OCc1cc([N-]S(=O)(=O)c2ccsc2)ccc1O ZINC000290561369 456364365 /nfs/dbraw/zinc/36/43/65/456364365.db2.gz SAGQTUJMONDHFF-UHFFFAOYSA-N -1 1 327.427 3.180 20 10 EGCDMM COc1cc(C=C2SC(=S)[N-]C2=O)ccc1OCC(F)(F)F ZINC000750901085 574718974 /nfs/dbraw/zinc/71/89/74/574718974.db2.gz SXCPZJGMLUSRRF-BJMVGYQFSA-N -1 1 349.355 3.125 20 10 EGCDMM COc1ccc(N2CCN(Cc3cc(C(=O)[O-])sc3C)CC2)cc1 ZINC000325343587 601613949 /nfs/dbraw/zinc/61/39/49/601613949.db2.gz KWGLQSLPBYZDQE-UHFFFAOYSA-N -1 1 346.452 3.086 20 10 EGCDMM CSc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000192155308 1295737622 /nfs/dbraw/zinc/73/76/22/1295737622.db2.gz BKOVRBWKRYVMCI-UHFFFAOYSA-N -1 1 335.450 3.404 20 10 EGCDMM Cc1cnc(CNCc2cc(Br)cc(F)c2[O-])s1 ZINC000715760820 1298287194 /nfs/dbraw/zinc/28/71/94/1298287194.db2.gz RIAKPKJRFYASME-UHFFFAOYSA-N -1 1 331.210 3.349 20 10 EGCDMM CC(C)c1cc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)CC3)ccc1O ZINC000882799524 1302110701 /nfs/dbraw/zinc/11/07/01/1302110701.db2.gz GPIFANQKGCGZHB-UHFFFAOYSA-N -1 1 345.420 3.445 20 10 EGCDMM O=C(NCc1cccc(Br)c1[O-])N[C@H]1CCC(F)(F)C1 ZINC000764797060 1302137717 /nfs/dbraw/zinc/13/77/17/1302137717.db2.gz IUUMZWJNYLSRGN-VIFPVBQESA-N -1 1 349.175 3.142 20 10 EGCDMM COc1ncc(Cl)c(NCc2cccc(Br)c2[O-])n1 ZINC000764933478 1302170216 /nfs/dbraw/zinc/17/02/16/1302170216.db2.gz DHGYJSDHLANUIR-UHFFFAOYSA-N -1 1 344.596 3.219 20 10 EGCDMM Cc1nc(NCc2cccc(Br)c2[O-])ccc1[N+](=O)[O-] ZINC000764935431 1302171553 /nfs/dbraw/zinc/17/15/53/1302171553.db2.gz UAHVSQGTDZDTPQ-UHFFFAOYSA-N -1 1 338.161 3.378 20 10 EGCDMM O=C(NCc1cccc(Br)c1[O-])Nc1ccc(F)cn1 ZINC000765341922 1302250008 /nfs/dbraw/zinc/25/00/08/1302250008.db2.gz KTZGIECIDMTWLF-UHFFFAOYSA-N -1 1 340.152 3.011 20 10 EGCDMM CCn1ccc(CNCc2cc(Cl)cc(Br)c2[O-])n1 ZINC000883145502 1302269900 /nfs/dbraw/zinc/26/99/00/1302269900.db2.gz CUSHMMVPZYCGQN-UHFFFAOYSA-N -1 1 344.640 3.314 20 10 EGCDMM Cc1nc(C)c(C(=O)NCc2cccc(Br)c2[O-])s1 ZINC000765747153 1302317320 /nfs/dbraw/zinc/31/73/20/1302317320.db2.gz MRMATSJGEHSJGT-UHFFFAOYSA-N -1 1 341.230 3.158 20 10 EGCDMM [O-]c1c(Br)cccc1CNc1ncnc2ncccc21 ZINC000765983679 1302363693 /nfs/dbraw/zinc/36/36/93/1302363693.db2.gz VWUJEIOOFISGNM-UHFFFAOYSA-N -1 1 331.173 3.105 20 10 EGCDMM O=C(COC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1)c1ccc([O-])c(O)c1 ZINC000783300377 1305079315 /nfs/dbraw/zinc/07/93/15/1305079315.db2.gz CDZVOFNXTRZKIW-KGLIPLIRSA-N -1 1 346.766 3.281 20 10 EGCDMM CC(C)COc1ccccc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783588859 1305112503 /nfs/dbraw/zinc/11/25/03/1305112503.db2.gz LBDVHPWOQRCGGF-UHFFFAOYSA-N -1 1 344.363 3.172 20 10 EGCDMM Cc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc2cccnc12 ZINC000783705763 1305130252 /nfs/dbraw/zinc/13/02/52/1305130252.db2.gz CQODPXFSHUKPLP-ATVHPVEESA-N -1 1 329.359 3.005 20 10 EGCDMM O=C(COC(=O)[C@H](c1ccccc1)C1CC1)c1ccc([O-])c(O)c1 ZINC000784456513 1305246786 /nfs/dbraw/zinc/24/67/86/1305246786.db2.gz RAMAZCREAJBIES-GOSISDBHSA-N -1 1 326.348 3.018 20 10 EGCDMM [O-]c1c(Br)cccc1CN1C[C@H](O)Cc2ccccc21 ZINC000789761941 1306211839 /nfs/dbraw/zinc/21/18/39/1306211839.db2.gz MYDSADFAHFODJK-CYBMUJFWSA-N -1 1 334.213 3.078 20 10 EGCDMM O=C(NCCc1ccccc1C(F)(F)F)c1c([O-])c(O)ccc1F ZINC000789969769 1306239594 /nfs/dbraw/zinc/23/95/94/1306239594.db2.gz ZOWXGNIUAVPGOB-UHFFFAOYSA-N -1 1 343.276 3.228 20 10 EGCDMM CCN(CC)c1ccc(CN2CCSC[C@@H]2CC(=O)[O-])cc1F ZINC000901983411 1317507035 /nfs/dbraw/zinc/50/70/35/1317507035.db2.gz RWDJHQTWEVIREC-AWEZNQCLSA-N -1 1 340.464 3.064 20 10 EGCDMM CCn1cccc(NCc2cc(C)cc(Br)c2[O-])c1=O ZINC000902120982 1317525829 /nfs/dbraw/zinc/52/58/29/1317525829.db2.gz CVGUJHONASAKHV-UHFFFAOYSA-N -1 1 337.217 3.257 20 10 EGCDMM C[C@H](Nc1ccc(F)c(NC(N)=O)c1)c1cc(F)cc(F)c1[O-] ZINC000815632077 1319031734 /nfs/dbraw/zinc/03/17/34/1319031734.db2.gz CGFIKBIZZQNBRB-ZETCQYMHSA-N -1 1 325.290 3.473 20 10 EGCDMM C[C@H]1CN(Cc2cc(Cl)c(F)cc2[O-])c2ccccc2C(=O)N1 ZINC000816613879 1319195464 /nfs/dbraw/zinc/19/54/64/1319195464.db2.gz HXKLRZFUMDHUHH-JTQLQIEISA-N -1 1 334.778 3.323 20 10 EGCDMM C[C@H]1CCc2c(C(=O)OCC(=O)c3ccc([O-])c(O)c3)csc2C1 ZINC000916617581 1319686560 /nfs/dbraw/zinc/68/65/60/1319686560.db2.gz JUEVMIHBOURKOS-JTQLQIEISA-N -1 1 346.404 3.324 20 10 EGCDMM CC(C)(CCC[NH2+]Cc1c([O-])cccc1Br)C(=O)[O-] ZINC000864505738 1329619830 /nfs/dbraw/zinc/61/98/30/1329619830.db2.gz RXQBPXAVMAYINV-UHFFFAOYSA-N -1 1 330.222 3.135 20 10 EGCDMM O=S(=O)(Nc1cc(F)c([O-])c(F)c1)c1ccc(C2CC2)cc1 ZINC001190501086 1367278066 /nfs/dbraw/zinc/27/80/66/1367278066.db2.gz WCFMGOMXZMGCOA-UHFFFAOYSA-N -1 1 325.336 3.349 20 10 EGCDMM O=C(Nc1ccc2c(c1)CCCC(=O)N2)c1ccc(O)c([O-])c1Cl ZINC001193230605 1367972074 /nfs/dbraw/zinc/97/20/74/1367972074.db2.gz XOUXDPYVLGCCQQ-UHFFFAOYSA-N -1 1 346.770 3.278 20 10 EGCDMM COc1cccnc1[C@H](NC(=O)c1ccc(O)c([O-])c1Cl)C1CC1 ZINC001193246776 1367979568 /nfs/dbraw/zinc/97/95/68/1367979568.db2.gz BAOUAOSEDLKQBR-CQSZACIVSA-N -1 1 348.786 3.036 20 10 EGCDMM [O-]c1cc(O)c(CN2[C@@H](CO)CCC[C@H]2C(F)(F)F)cc1Cl ZINC001232259886 1376426031 /nfs/dbraw/zinc/42/60/31/1376426031.db2.gz MSXAIEQUFIFFMY-RNCFNFMXSA-N -1 1 339.741 3.029 20 10 EGCDMM [O-]c1ccc(F)c(F)c1CN1CCN(c2ccc(Cl)cn2)CC1 ZINC001233335525 1376618705 /nfs/dbraw/zinc/61/87/05/1376618705.db2.gz ZGBJRUSIWROSRP-UHFFFAOYSA-N -1 1 339.773 3.041 20 10 EGCDMM CN(C(=O)OC(C)(C)C)[C@@H]1CCN1Cc1c([O-])ccc(F)c1F ZINC001233335815 1376619006 /nfs/dbraw/zinc/61/90/06/1376619006.db2.gz NAQANCAEJCABCU-ZDUSSCGKSA-N -1 1 328.359 3.069 20 10 EGCDMM C[C@@H]1CN(Cc2ccccc2)CCN1Cc1c(F)ccc(F)c1[O-] ZINC001139683067 1377933871 /nfs/dbraw/zinc/93/38/71/1377933871.db2.gz HKTNZBKXMLIOLX-CQSZACIVSA-N -1 1 332.394 3.377 20 10 EGCDMM [O-]c1cc(F)c(F)cc1CN1CCc2c(cnn2-c2ccccc2)C1 ZINC001142524657 1378453385 /nfs/dbraw/zinc/45/33/85/1378453385.db2.gz FYGITJPFZQQHIN-UHFFFAOYSA-N -1 1 341.361 3.414 20 10 EGCDMM O=C(CNc1ccc(CC(F)(F)F)cc1)c1ccc([O-])c(O)c1 ZINC001170315210 1384289203 /nfs/dbraw/zinc/28/92/03/1384289203.db2.gz UMOIHEGCPMDHGX-UHFFFAOYSA-N -1 1 325.286 3.497 20 10 EGCDMM Cc1nn(C)c(C)c1Nc1cc2c(cc1[O-])C(=O)c1ccccc1C2=O ZINC001174227844 1385080706 /nfs/dbraw/zinc/08/07/06/1385080706.db2.gz KCEBAVOCGSTREZ-UHFFFAOYSA-N -1 1 347.374 3.262 20 10 EGCDMM O=C(NCc1cccc(Br)c1[O-])N[C@H]1CCC[C@H](F)C1 ZINC001332094463 1389979677 /nfs/dbraw/zinc/97/96/77/1389979677.db2.gz RVJAONMHGBUVDM-QWRGUYRKSA-N -1 1 345.212 3.235 20 10 EGCDMM CC[N@@H+](Cc1cccc(F)c1[O-])[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825435289 1426491709 /nfs/dbraw/zinc/49/17/09/1426491709.db2.gz SINCQPIROCSAHF-GFCCVEGCSA-N -1 1 341.390 3.295 20 10 EGCDMM O=C([O-])c1sc2ccccc2c1S(=O)(=O)Nc1ccc(O)cc1 ZINC000320415870 970661124 /nfs/dbraw/zinc/66/11/24/970661124.db2.gz OQKUCLILJRPKFC-UHFFFAOYSA-N -1 1 349.389 3.106 20 10 EGCDMM C[C@H](c1ccc(F)cc1)N(C)C(=O)CN(C)Cc1ccccc1O ZINC000109770572 454835966 /nfs/dbraw/zinc/83/59/66/454835966.db2.gz VNTPKWONUGBOFC-CQSZACIVSA-N -1 1 330.403 3.183 20 10 EGCDMM C[C@@H]1CC[C@@H](CCC(=O)NCc2cccc(Br)c2[O-])O1 ZINC000277576188 455602918 /nfs/dbraw/zinc/60/29/18/455602918.db2.gz RCFRPYHHSUBYHI-PWSUYJOCSA-N -1 1 342.233 3.119 20 10 EGCDMM CCC[N@@H+](Cc1ccccc1O)Cc1c(Cl)ncnc1N(C)C ZINC000283023599 456692365 /nfs/dbraw/zinc/69/23/65/456692365.db2.gz HBSVFFOASBMFSQ-UHFFFAOYSA-N -1 1 334.851 3.314 20 10 EGCDMM CC[N@H+](C/C=C(\C)C(=O)[O-])Cc1cc(Br)ccc1[O-] ZINC000829692252 601179477 /nfs/dbraw/zinc/17/94/77/601179477.db2.gz DKPYWJSNPSXJGS-UXBLZVDNSA-N -1 1 328.206 3.008 20 10 EGCDMM CC[N@@H+](C/C=C(\C)C(=O)[O-])Cc1cc(Br)ccc1[O-] ZINC000829692252 601179478 /nfs/dbraw/zinc/17/94/78/601179478.db2.gz DKPYWJSNPSXJGS-UXBLZVDNSA-N -1 1 328.206 3.008 20 10 EGCDMM CC(=O)c1cc(F)cc(C[NH2+][C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])c1[O-] ZINC000825946847 601654035 /nfs/dbraw/zinc/65/40/35/601654035.db2.gz STNWPLZLIIKCAR-PIGZYNQJSA-N -1 1 345.370 3.286 20 10 EGCDMM C[C@H]1C[N@H+](Cc2cc3oc4ccccc4c3cc2[O-])C[C@@H]1C(=O)[O-] ZINC000828455462 601818485 /nfs/dbraw/zinc/81/84/85/601818485.db2.gz CHVJQEFFPRLDHB-NHYWBVRUSA-N -1 1 325.364 3.444 20 10 EGCDMM C[C@H]1C[N@@H+](Cc2cc3oc4ccccc4c3cc2[O-])C[C@@H]1C(=O)[O-] ZINC000828455462 601818487 /nfs/dbraw/zinc/81/84/87/601818487.db2.gz CHVJQEFFPRLDHB-NHYWBVRUSA-N -1 1 325.364 3.444 20 10 EGCDMM O=C([O-])CC[C@H]1CCCC[N@@H+]1Cc1cc(Br)ccc1[O-] ZINC000236416885 1296189767 /nfs/dbraw/zinc/18/97/67/1296189767.db2.gz YMKBGEHOMYBBTC-CYBMUJFWSA-N -1 1 342.233 3.374 20 10 EGCDMM O=C([O-])CC[C@H]1CCCC[N@H+]1Cc1cc(Br)ccc1[O-] ZINC000236416885 1296189770 /nfs/dbraw/zinc/18/97/70/1296189770.db2.gz YMKBGEHOMYBBTC-CYBMUJFWSA-N -1 1 342.233 3.374 20 10 EGCDMM Cc1occc1-c1cc(NCc2cccc(Cl)c2[O-])n(CCO)n1 ZINC000305831207 1297059288 /nfs/dbraw/zinc/05/92/88/1297059288.db2.gz OQSRVPNRFNYGDO-UHFFFAOYSA-N -1 1 347.802 3.415 20 10 EGCDMM C[C@H]1COCCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708075170 1298234060 /nfs/dbraw/zinc/23/40/60/1298234060.db2.gz JZVBXFBDMIRIOF-SECBINFHSA-N -1 1 334.641 3.276 20 10 EGCDMM Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C(=O)C(C)C)cc1 ZINC000743259622 1298411322 /nfs/dbraw/zinc/41/13/22/1298411322.db2.gz HEGFILUSKSPUSU-UHFFFAOYSA-N -1 1 333.409 3.340 20 10 EGCDMM CCOC(=O)[C@@H]1CCCCN1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000748050568 1298917153 /nfs/dbraw/zinc/91/71/53/1298917153.db2.gz HCHCTTLSOVLJMO-HNNXBMFYSA-N -1 1 339.819 3.166 20 10 EGCDMM C[C@](O)(C1CCN(Cc2ccc(F)c(F)c2[O-])CC1)C(F)(F)F ZINC000877389194 1299272140 /nfs/dbraw/zinc/27/21/40/1299272140.db2.gz ARUXLCYUXRUYTB-AWEZNQCLSA-N -1 1 339.304 3.196 20 10 EGCDMM CC1(C)C[C@@H]1CNC(=O)NCc1cccc(Br)c1[O-] ZINC000764782388 1302134657 /nfs/dbraw/zinc/13/46/57/1302134657.db2.gz YIKIGPPOJDQHJL-SNVBAGLBSA-N -1 1 327.222 3.000 20 10 EGCDMM C[C@H](NC(=O)NCc1cccc(Br)c1[O-])C1CCC1 ZINC000764798254 1302137834 /nfs/dbraw/zinc/13/78/34/1302137834.db2.gz BTBSEGWNQIXUBF-VIFPVBQESA-N -1 1 327.222 3.143 20 10 EGCDMM COCN1C(=O)CCc2cc(NCc3cc(F)cc(F)c3[O-])ccc21 ZINC000883108345 1302253784 /nfs/dbraw/zinc/25/37/84/1302253784.db2.gz DRMNFYXBAJDQEN-UHFFFAOYSA-N -1 1 348.349 3.166 20 10 EGCDMM CC(C)(C(=O)NCc1cccc(Br)c1[O-])c1cccnc1 ZINC000765747473 1302317448 /nfs/dbraw/zinc/31/74/48/1302317448.db2.gz OEXXGRZDQZNYCZ-UHFFFAOYSA-N -1 1 349.228 3.144 20 10 EGCDMM CCO[C@@H](CC(=O)NCc1cccc(Br)c1[O-])C(C)C ZINC000765770989 1302321624 /nfs/dbraw/zinc/32/16/24/1302321624.db2.gz UTNZEKRNOLGRSJ-ZDUSSCGKSA-N -1 1 344.249 3.222 20 10 EGCDMM Cc1ccc(C(=O)NCc2cccc(Br)c2[O-])cc1O ZINC000765768253 1302321676 /nfs/dbraw/zinc/32/16/76/1302321676.db2.gz IJJBGJYIQGHGRT-UHFFFAOYSA-N -1 1 336.185 3.099 20 10 EGCDMM CSc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(C)=O)cc1 ZINC000766047109 1302378595 /nfs/dbraw/zinc/37/85/95/1302378595.db2.gz FYTVIVIVNASHPF-UHFFFAOYSA-N -1 1 337.422 3.118 20 10 EGCDMM CN(CC(=O)NCc1ccco1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000768194011 1302850566 /nfs/dbraw/zinc/85/05/66/1302850566.db2.gz NQWQNHPCHALVNE-UHFFFAOYSA-N -1 1 343.210 3.040 20 10 EGCDMM CCOC(=O)[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000769078623 1303043960 /nfs/dbraw/zinc/04/39/60/1303043960.db2.gz RSCWSXAZWJDYSL-JTQLQIEISA-N -1 1 332.227 3.474 20 10 EGCDMM O=C(C=Cc1ccc(Cl)s1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000782251382 1304939352 /nfs/dbraw/zinc/93/93/52/1304939352.db2.gz DNMARQNEYXMFOK-UTCJRWHESA-N -1 1 338.768 3.252 20 10 EGCDMM C[C@H](CCC(=O)OCC(=O)c1ccc([O-])c(O)c1)c1ccccc1 ZINC000784318721 1305228062 /nfs/dbraw/zinc/22/80/62/1305228062.db2.gz AVXJGMZEKORBKT-CYBMUJFWSA-N -1 1 328.364 3.408 20 10 EGCDMM Cc1csc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c1Cl ZINC000784931469 1305295745 /nfs/dbraw/zinc/29/57/45/1305295745.db2.gz OZWGEILNVVHYJX-UHFFFAOYSA-N -1 1 326.757 3.161 20 10 EGCDMM Cc1ccc(NCc2ccc(N3CCN(C)CC3)cc2)cc1C(=O)[O-] ZINC000789902374 1306230602 /nfs/dbraw/zinc/23/06/02/1306230602.db2.gz NGRRCMZDLIMNJA-UHFFFAOYSA-N -1 1 339.439 3.057 20 10 EGCDMM CN(c1ccccc1)c1ccc(C=C2SC(=S)[N-]C2=O)cn1 ZINC000797785663 1310246553 /nfs/dbraw/zinc/24/65/53/1310246553.db2.gz ONAJCHAFZUETDV-LCYFTJDESA-N -1 1 327.434 3.338 20 10 EGCDMM CC(C)[C@@]1(C)C[C@H]1NC(=O)NCc1cccc(Br)c1[O-] ZINC000838767956 1320814243 /nfs/dbraw/zinc/81/42/43/1320814243.db2.gz YPLOIGHQABLDHB-IUODEOHRSA-N -1 1 341.249 3.389 20 10 EGCDMM [O-]c1c(F)cc(Cl)cc1CNc1ccc(N2CCOCC2)cn1 ZINC000802643640 1317020981 /nfs/dbraw/zinc/02/09/81/1317020981.db2.gz SPMZOIGYRZDCET-UHFFFAOYSA-N -1 1 337.782 3.028 20 10 EGCDMM CC[C@H](NCc1nnnn1C1CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806148432 1317466277 /nfs/dbraw/zinc/46/62/77/1317466277.db2.gz UJJKAZROTBEMFK-LBPRGKRZSA-N -1 1 342.230 3.261 20 10 EGCDMM C[C@H]1C[C@H]1c1nnc(NCc2cc(Br)cc(F)c2[O-])o1 ZINC000905418126 1317957412 /nfs/dbraw/zinc/95/74/12/1317957412.db2.gz FDCUYLFJBUZNGX-IMTBSYHQSA-N -1 1 342.168 3.412 20 10 EGCDMM O=C([O-])[C@H]1CCC[C@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000911746505 1318764873 /nfs/dbraw/zinc/76/48/73/1318764873.db2.gz YHMMONXCNSUOBY-IUCAKERBSA-N -1 1 346.210 3.206 20 10 EGCDMM C[C@@H](CCCCC(=O)[O-])[NH2+]Cc1c([O-])cccc1Br ZINC000864504837 1329619672 /nfs/dbraw/zinc/61/96/72/1329619672.db2.gz QDQPCJBRFMLMBQ-JTQLQIEISA-N -1 1 330.222 3.278 20 10 EGCDMM CC(C)(C)C[C@@H]([NH2+]Cc1c([O-])cccc1Br)C(=O)[O-] ZINC000864506855 1329619974 /nfs/dbraw/zinc/61/99/74/1329619974.db2.gz CRLBALJSGBRTHG-LLVKDONJSA-N -1 1 330.222 3.134 20 10 EGCDMM O=S(=O)(Cc1cc(F)cc(F)c1)Nc1ccc([O-])c(Cl)c1 ZINC001185134111 1387624850 /nfs/dbraw/zinc/62/48/50/1387624850.db2.gz LPZULMCCIMQNBO-UHFFFAOYSA-N -1 1 333.743 3.266 20 10 EGCDMM O=C(Nc1ccc2oc(=O)ccc2c1)c1ccc(O)c([O-])c1Cl ZINC001193229009 1367971965 /nfs/dbraw/zinc/97/19/65/1367971965.db2.gz CEVWPOHLXBAUHU-UHFFFAOYSA-N -1 1 331.711 3.110 20 10 EGCDMM Cc1c(NC(=O)c2ccc(O)c([O-])c2Cl)ccc2c1OCCO2 ZINC001193229746 1367972645 /nfs/dbraw/zinc/97/26/45/1367972645.db2.gz LUGUUYDQJVNKHX-UHFFFAOYSA-N -1 1 335.743 3.083 20 10 EGCDMM Cn1ncc2ccc(-c3noc(-c4ccc(O)c([O-])c4Cl)n3)cc21 ZINC001216951271 1373370368 /nfs/dbraw/zinc/37/03/68/1373370368.db2.gz BXZCWFQUPZULRW-UHFFFAOYSA-N -1 1 342.742 3.355 20 10 EGCDMM COc1cnc(-c2noc(-c3ccc(O)c([O-])c3Cl)n2)c(C)c1 ZINC001216953060 1373370456 /nfs/dbraw/zinc/37/04/56/1373370456.db2.gz AKVGUBTYJVDUOR-UHFFFAOYSA-N -1 1 333.731 3.180 20 10 EGCDMM CCC(=O)[C@H](CC)Oc1c(O)c(O)ccc1C(=O)c1ccc([O-])cc1 ZINC001228111156 1375517885 /nfs/dbraw/zinc/51/78/85/1375517885.db2.gz RWVRNQZJKAPNTM-INIZCTEOSA-N -1 1 344.363 3.171 20 10 EGCDMM Cc1cc([C@@H]2CCCN2Cc2c([O-])ccc3c(C)cc(=O)oc32)no1 ZINC001139126413 1377833926 /nfs/dbraw/zinc/83/39/26/1377833926.db2.gz GHOPVSRICPOPIY-INIZCTEOSA-N -1 1 340.379 3.441 20 10 EGCDMM Cc1cc(=O)oc2c1ccc([O-])c2CN1CCCC(F)(F)[C@@H](F)C1 ZINC001139127620 1377835103 /nfs/dbraw/zinc/83/51/03/1377835103.db2.gz ZFQWYWQQGJKOOG-AWEZNQCLSA-N -1 1 341.329 3.376 20 10 EGCDMM Oc1ccc2c(c1)CC[N@@H+](Cc1c(O)cccc1Br)C2 ZINC001140100314 1378007746 /nfs/dbraw/zinc/00/77/46/1378007746.db2.gz KQCHARCSBSMBKJ-UHFFFAOYSA-N -1 1 334.213 3.419 20 10 EGCDMM COc1ccc2cc([O-])c(C(=O)N3CCc4cccc(O)c4C3)cc2c1 ZINC001154754613 1380346092 /nfs/dbraw/zinc/34/60/92/1380346092.db2.gz VTAIWCKKEKLRAF-UHFFFAOYSA-N -1 1 349.386 3.458 20 10 EGCDMM O=C(CNc1nnc(Cl)c2ccc(F)cc21)c1ccc([O-])c(O)c1 ZINC001159280504 1381750202 /nfs/dbraw/zinc/75/02/02/1381750202.db2.gz UYDBITOTTHMPQT-UHFFFAOYSA-N -1 1 347.733 3.128 20 10 EGCDMM Cc1cc(C(F)(F)F)ncc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001170323379 1384290570 /nfs/dbraw/zinc/29/05/70/1384290570.db2.gz ZASFSXKPCQZQNL-UHFFFAOYSA-N -1 1 326.274 3.115 20 10 EGCDMM Cc1n[nH]c(C)c1Nc1cc2c(cc1[O-])C(=O)c1ccccc1C2=O ZINC001174215892 1385078663 /nfs/dbraw/zinc/07/86/63/1385078663.db2.gz BEDFISPUTJRLOA-UHFFFAOYSA-N -1 1 333.347 3.251 20 10 EGCDMM Oc1ccccc1CNc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000826511091 1427316196 /nfs/dbraw/zinc/31/61/96/1427316196.db2.gz BNMIXWJADPCXJA-UHFFFAOYSA-N -1 1 335.289 3.203 20 10 EGCDMM CCCN(Cc1ccccc1O)c1cccc(F)c1-c1nnn[n-]1 ZINC000821109292 1441436306 /nfs/dbraw/zinc/43/63/06/1441436306.db2.gz GEIUZCSQUQRXPC-UHFFFAOYSA-N -1 1 327.363 3.128 20 10 EGCDMM Cc1cc(Br)c([O-])c(C[N@@H+]2C[C@@H](C(=O)[O-])CC[C@H]2C)c1 ZINC000817880874 969184806 /nfs/dbraw/zinc/18/48/06/969184806.db2.gz LBMFMZVQYKKWPE-MNOVXSKESA-N -1 1 342.233 3.148 20 10 EGCDMM O=C([O-])[C@@]1(C(=O)NCc2cc(Cl)cc(Cl)c2O)CC=CCC1 ZINC001605930879 972857759 /nfs/dbraw/zinc/85/77/59/972857759.db2.gz NBDCJLYIZMTNPU-HNNXBMFYSA-N -1 1 344.194 3.126 20 10 EGCDMM CCOCc1cc(CN[C@H](C(=O)[O-])c2ccccc2F)ccc1OC ZINC000841795912 979310963 /nfs/dbraw/zinc/31/09/63/979310963.db2.gz MGNZTMBOMVZCHQ-SFHVURJKSA-N -1 1 347.386 3.286 20 10 EGCDMM CN(C)c1ccc(/C=C/C[N@@H+]2Cc3ccccc3[C@@H](C(=O)[O-])C2)cc1 ZINC000901628613 980411468 /nfs/dbraw/zinc/41/14/68/980411468.db2.gz RNQCEUXBBLHGGD-XJDXJNMNSA-N -1 1 336.435 3.450 20 10 EGCDMM CN(C)c1ccc(/C=C/CN2Cc3ccccc3[C@@H](C(=O)[O-])C2)cc1 ZINC000901628613 980411472 /nfs/dbraw/zinc/41/14/72/980411472.db2.gz RNQCEUXBBLHGGD-XJDXJNMNSA-N -1 1 336.435 3.450 20 10 EGCDMM CC(=O)c1cc(F)cc(C[NH2+][C@@H](C(=O)[O-])c2cc(C)cc(C)c2)c1[O-] ZINC000905392092 981112000 /nfs/dbraw/zinc/11/20/00/981112000.db2.gz QIWPMXCNHNRGMF-QGZVFWFLSA-N -1 1 345.370 3.266 20 10 EGCDMM C[C@@H]([NH2+]Cc1cccc(OCC(=O)[O-])c1)c1cc(Cl)ccc1[O-] ZINC001593303148 994731910 /nfs/dbraw/zinc/73/19/10/994731910.db2.gz DAKSHASDVNKYIQ-LLVKDONJSA-N -1 1 335.787 3.360 20 10 EGCDMM C[C@@]1([NH2+]Cc2ccc(Br)cc2[O-])CCCC[C@H]1C(=O)[O-] ZINC001594059929 997825793 /nfs/dbraw/zinc/82/57/93/997825793.db2.gz GTUTZNCXFRRSOZ-SWLSCSKDSA-N -1 1 342.233 3.278 20 10 EGCDMM CC(C)n1cc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)cn1 ZINC000179570628 455059783 /nfs/dbraw/zinc/05/97/83/455059783.db2.gz OEQLHCASNRMUCN-GOSISDBHSA-N -1 1 329.444 3.351 20 10 EGCDMM COCc1cccc(S(=O)(=O)[N-]c2cccc(N3CCCC3)c2)c1 ZINC000264768648 455279397 /nfs/dbraw/zinc/27/93/97/455279397.db2.gz DHFBLKDHHCZJFH-UHFFFAOYSA-N -1 1 346.452 3.234 20 10 EGCDMM CC[N@H+](CCCCC(=O)[O-])Cc1cc(Br)ccc1[O-] ZINC000181574325 455356864 /nfs/dbraw/zinc/35/68/64/455356864.db2.gz VKWRDATYQUVHCP-UHFFFAOYSA-N -1 1 330.222 3.232 20 10 EGCDMM CC[N@@H+](CCCCC(=O)[O-])Cc1cc(Br)ccc1[O-] ZINC000181574325 455356868 /nfs/dbraw/zinc/35/68/68/455356868.db2.gz VKWRDATYQUVHCP-UHFFFAOYSA-N -1 1 330.222 3.232 20 10 EGCDMM CC(=O)c1cc(F)cc(C[NH2+][C@H](c2ccccc2)[C@H](C)C(=O)[O-])c1[O-] ZINC000825946846 601654119 /nfs/dbraw/zinc/65/41/19/601654119.db2.gz STNWPLZLIIKCAR-GTNSWQLSSA-N -1 1 345.370 3.286 20 10 EGCDMM C[C@H](NCc1cc(Cl)cc(Cl)c1[O-])c1nnc2n1CCC2 ZINC000037149473 1291398730 /nfs/dbraw/zinc/39/87/30/1291398730.db2.gz QEESFVRCAHSNCO-QMMMGPOBSA-N -1 1 327.215 3.088 20 10 EGCDMM O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2)C1)c1c([O-])c(O)ccc1F ZINC000831010012 1292798857 /nfs/dbraw/zinc/79/88/57/1292798857.db2.gz NRGDGRZMTACFJM-DGCLKSJQSA-N -1 1 333.334 3.442 20 10 EGCDMM Cc1cccn2cc(CNCc3cc(Cl)cc([N+](=O)[O-])c3[O-])nc12 ZINC000124020814 1293464109 /nfs/dbraw/zinc/46/41/09/1293464109.db2.gz IHHLCQVJOMFCIA-UHFFFAOYSA-N -1 1 346.774 3.200 20 10 EGCDMM Cc1ccc([N+](=O)[O-])c(NCc2cccc(Br)c2[O-])n1 ZINC000764933097 1302170296 /nfs/dbraw/zinc/17/02/96/1302170296.db2.gz BWAPWJVXBUHLCF-UHFFFAOYSA-N -1 1 338.161 3.378 20 10 EGCDMM CC(C)(C)c1nc(NCc2cccc(Br)c2[O-])no1 ZINC000764935589 1302172009 /nfs/dbraw/zinc/17/20/09/1302172009.db2.gz YVKFWLJDDAKDCF-UHFFFAOYSA-N -1 1 326.194 3.447 20 10 EGCDMM O=C(NCc1cccc(Br)c1[O-])Nc1cccc(F)n1 ZINC000765349076 1302251351 /nfs/dbraw/zinc/25/13/51/1302251351.db2.gz RSSJOJXRECVWKO-UHFFFAOYSA-N -1 1 340.152 3.011 20 10 EGCDMM O=C(NCc1cccc(Br)c1[O-])[C@H](F)c1ccccc1 ZINC000765732162 1302314414 /nfs/dbraw/zinc/31/44/14/1302314414.db2.gz QFYBOJSLEKZBNS-CYBMUJFWSA-N -1 1 338.176 3.482 20 10 EGCDMM O=C(NCc1cccc(Br)c1[O-])c1ccc(F)cc1F ZINC000765730579 1302315298 /nfs/dbraw/zinc/31/52/98/1302315298.db2.gz DISLHYQVAYEQCS-UHFFFAOYSA-N -1 1 342.139 3.363 20 10 EGCDMM COc1c(C)cc(S(=O)(=O)[N-]c2ccc(O)cc2C(C)=O)cc1C ZINC000766050636 1302378533 /nfs/dbraw/zinc/37/85/33/1302378533.db2.gz NXSGVKDMGXDOTK-UHFFFAOYSA-N -1 1 349.408 3.021 20 10 EGCDMM O=S(=O)([N-]c1ccc(O)c(Cl)c1)c1ccc2ncsc2c1 ZINC000775288597 1303934348 /nfs/dbraw/zinc/93/43/48/1303934348.db2.gz YJGHKTWQIXFOEG-UHFFFAOYSA-N -1 1 340.813 3.456 20 10 EGCDMM CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775648187 1304004187 /nfs/dbraw/zinc/00/41/87/1304004187.db2.gz QWVMXJDIXKLXQB-GFCCVEGCSA-N -1 1 344.814 3.284 20 10 EGCDMM Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)C(C)C)cc2)ccc1O ZINC000776747698 1304192236 /nfs/dbraw/zinc/19/22/36/1304192236.db2.gz LOUARBWEXIRMTN-UHFFFAOYSA-N -1 1 333.409 3.340 20 10 EGCDMM CSc1ccc(C)c(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c1 ZINC000782659551 1304999554 /nfs/dbraw/zinc/99/95/54/1304999554.db2.gz JEABLILAIZNONF-UHFFFAOYSA-N -1 1 332.377 3.168 20 10 EGCDMM CC[C@@H](CC(=O)OCC(=O)c1ccc([O-])c(O)c1)c1ccccc1 ZINC000783481027 1305096882 /nfs/dbraw/zinc/09/68/82/1305096882.db2.gz WWKUPSUUBUFVBL-ZDUSSCGKSA-N -1 1 328.364 3.408 20 10 EGCDMM CC[C@@H](Cc1ccccc1)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783628924 1305120320 /nfs/dbraw/zinc/12/03/20/1305120320.db2.gz HQTWFIWMVABQQW-AWEZNQCLSA-N -1 1 328.364 3.093 20 10 EGCDMM O=C(COC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1)c1ccc([O-])c(O)c1 ZINC000784365252 1305235296 /nfs/dbraw/zinc/23/52/96/1305235296.db2.gz FFAFKYVOHRQWON-VNHYZAJKSA-N -1 1 332.396 3.430 20 10 EGCDMM Cc1nc2ccc(C(=O)OCC(=O)c3ccc([O-])c(O)c3)cc2s1 ZINC000784993674 1305301068 /nfs/dbraw/zinc/30/10/68/1305301068.db2.gz RVICMHOHYDDYRT-UHFFFAOYSA-N -1 1 343.360 3.056 20 10 EGCDMM CN(Cc1ccc(OC(F)F)cc1)C(=O)c1c(F)ccc(O)c1[O-] ZINC000789938915 1306234028 /nfs/dbraw/zinc/23/40/28/1306234028.db2.gz JBPVPCRVABUVCI-UHFFFAOYSA-N -1 1 341.285 3.111 20 10 EGCDMM C[C@@H](CNC(=O)c1c([O-])c(O)ccc1F)Oc1ccccc1Cl ZINC000789986745 1306242454 /nfs/dbraw/zinc/24/24/54/1306242454.db2.gz LWIDOVWLKIURGB-VIFPVBQESA-N -1 1 339.750 3.088 20 10 EGCDMM CO[C@@H](CNC(=O)c1c([O-])c(O)ccc1F)c1cccc(Cl)c1 ZINC000789987085 1306242577 /nfs/dbraw/zinc/24/25/77/1306242577.db2.gz QDZOMUHTPCENFD-ZDUSSCGKSA-N -1 1 339.750 3.008 20 10 EGCDMM C[C@@H]1CC[C@@H](O)CN1Cc1cc(Cl)cc(Br)c1[O-] ZINC000895034854 1309166350 /nfs/dbraw/zinc/16/63/50/1309166350.db2.gz WVEXZXCDUDBBKA-LDYMZIIASA-N -1 1 334.641 3.153 20 10 EGCDMM COc1ccccc1N(CCO)Cc1c([O-])ccc(Cl)c1F ZINC000809792978 1317903256 /nfs/dbraw/zinc/90/32/56/1317903256.db2.gz MLVIPXQTSBFQQJ-UHFFFAOYSA-N -1 1 325.767 3.192 20 10 EGCDMM NC(=O)c1ccc(NCc2cccc(Br)c2[O-])cc1F ZINC000812346185 1318372888 /nfs/dbraw/zinc/37/28/88/1318372888.db2.gz IGKLHPNRIDUCQK-UHFFFAOYSA-N -1 1 339.164 3.005 20 10 EGCDMM CC(C)(CC(=O)[O-])CC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000911746152 1318764703 /nfs/dbraw/zinc/76/47/03/1318764703.db2.gz WHHOHZAUUJRZBG-UHFFFAOYSA-N -1 1 334.199 3.206 20 10 EGCDMM O=C(NCc1cccc(Br)c1[O-])c1ncccc1Cl ZINC000816495887 1319166083 /nfs/dbraw/zinc/16/60/83/1319166083.db2.gz NJCDNOSSUXGZFJ-UHFFFAOYSA-N -1 1 341.592 3.133 20 10 EGCDMM Cc1cc(NCc2cc(Cl)c(F)cc2[O-])ccc1-n1cnnn1 ZINC000816525066 1319174486 /nfs/dbraw/zinc/17/44/86/1319174486.db2.gz COLYHSHOUIDLTI-UHFFFAOYSA-N -1 1 333.754 3.081 20 10 EGCDMM [O-]c1cc(F)c(Cl)cc1CNc1ccc(Cn2cncn2)cc1 ZINC000816525048 1319174987 /nfs/dbraw/zinc/17/49/87/1319174987.db2.gz CABHVOCRIYHZRR-UHFFFAOYSA-N -1 1 332.766 3.437 20 10 EGCDMM C[C@@H]1CCc2sc(C(=O)OCC(=O)c3ccc([O-])c(O)c3)cc2C1 ZINC000916607043 1319682986 /nfs/dbraw/zinc/68/29/86/1319682986.db2.gz OCASJKTWMWTQFG-SNVBAGLBSA-N -1 1 346.404 3.324 20 10 EGCDMM O=C(COC(=O)c1csc2c1CCCC2)c1ccc([O-])c(O)c1 ZINC000916614340 1319685513 /nfs/dbraw/zinc/68/55/13/1319685513.db2.gz GFIAMQKMFUZFGI-UHFFFAOYSA-N -1 1 332.377 3.078 20 10 EGCDMM Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1c(F)ccc([O-])c1F ZINC000839922490 1320997215 /nfs/dbraw/zinc/99/72/15/1320997215.db2.gz WBTCIVZVKGPJRB-GFCCVEGCSA-N -1 1 348.393 3.406 20 10 EGCDMM CC(C)O[C@@H]1CCN(Cc2c([O-])cc(Br)cc2F)C1 ZINC001233029414 1376556852 /nfs/dbraw/zinc/55/68/52/1376556852.db2.gz DNHXIKOKNGAYRC-LLVKDONJSA-N -1 1 332.213 3.293 20 10 EGCDMM Cc1c(Cl)cccc1NC(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001184694552 1387511272 /nfs/dbraw/zinc/51/12/72/1387511272.db2.gz CBPYMGRNNUURGU-UHFFFAOYSA-N -1 1 334.759 3.064 20 10 EGCDMM CC(=O)c1ccc2c(c1)CN(C(=O)c1ccc(O)c([O-])c1Cl)CC2 ZINC001193232670 1367972335 /nfs/dbraw/zinc/97/23/35/1367972335.db2.gz MVRWUKAPEVZVNR-UHFFFAOYSA-N -1 1 345.782 3.152 20 10 EGCDMM [O-]c1c(Br)cc(F)cc1CN1CCC[C@]12CCOC2 ZINC001235305561 1376867314 /nfs/dbraw/zinc/86/73/14/1376867314.db2.gz NUARZBHMTWZHNJ-CQSZACIVSA-N -1 1 330.197 3.049 20 10 EGCDMM CC(C)(C)OC(=O)N1C[C@H]2[C@@H]1CCCN2Cc1c([O-])cccc1F ZINC001137833232 1377626232 /nfs/dbraw/zinc/62/62/32/1377626232.db2.gz XTTNVQBDZWZNOK-GJZGRUSLSA-N -1 1 336.407 3.115 20 10 EGCDMM Cc1cc(=O)oc2c1ccc([O-])c2CN1CCC(=O)[C@@H]2CCCC[C@@H]21 ZINC001139126256 1377833869 /nfs/dbraw/zinc/83/38/69/1377833869.db2.gz CTSXJAVQWOADHI-ZBFHGGJFSA-N -1 1 341.407 3.141 20 10 EGCDMM Cc1cc([C@H]2CCCN2Cc2c([O-])ccc3c(C)cc(=O)oc32)no1 ZINC001139126414 1377833948 /nfs/dbraw/zinc/83/39/48/1377833948.db2.gz GHOPVSRICPOPIY-MRXNPFEDSA-N -1 1 340.379 3.441 20 10 EGCDMM CC(C)(C)OC(=O)[C@@H]1CCCCN1Cc1cc(F)c(F)cc1[O-] ZINC001142524707 1378453602 /nfs/dbraw/zinc/45/36/02/1378453602.db2.gz HSBJVRJFMGLJBO-AWEZNQCLSA-N -1 1 327.371 3.367 20 10 EGCDMM CC[C@@H](C)c1nc2[nH]ccc2c(NCC(=O)c2ccc([O-])c(O)c2)n1 ZINC001159280207 1381749602 /nfs/dbraw/zinc/74/96/02/1381749602.db2.gz GBXHUUBNFVYCOS-SNVBAGLBSA-N -1 1 340.383 3.177 20 10 EGCDMM Cc1ccc(Br)cc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001170314930 1384289016 /nfs/dbraw/zinc/28/90/16/1384289016.db2.gz LMVMDGRORWBELD-UHFFFAOYSA-N -1 1 336.185 3.464 20 10 EGCDMM O=C(CNc1ccc(F)c(OC(F)(F)F)c1)c1ccc([O-])c(O)c1 ZINC001170315158 1384289219 /nfs/dbraw/zinc/28/92/19/1384289219.db2.gz QWCVEVWKVQNQSC-UHFFFAOYSA-N -1 1 345.248 3.430 20 10 EGCDMM O=C(CNc1ccc(OC(F)F)cc1F)c1ccc([O-])c(O)c1 ZINC001170314954 1384289509 /nfs/dbraw/zinc/28/95/09/1384289509.db2.gz MSBMTGIHZNWZKP-UHFFFAOYSA-N -1 1 327.258 3.133 20 10 EGCDMM C[C@@H]([NH2+]C1CCC(C(=O)[O-])CC1)c1cc(Br)ccc1[O-] ZINC001589123610 956148684 /nfs/dbraw/zinc/14/86/84/956148684.db2.gz MWPSSFKOJVRRSU-GRZMOONWSA-N -1 1 342.233 3.449 20 10 EGCDMM CCC[N@@H+](CC(=O)[O-])Cc1cc(Cl)cc(Br)c1[O-] ZINC000708073088 977413867 /nfs/dbraw/zinc/41/38/67/977413867.db2.gz XFHGGCWRNQSHAF-UHFFFAOYSA-N -1 1 336.613 3.105 20 10 EGCDMM CN1CCCc2cc(CNCc3ccc(/C=C\C(=O)[O-])o3)ccc21 ZINC001598603237 993598353 /nfs/dbraw/zinc/59/83/53/993598353.db2.gz DVCCLAKAKKWZII-CLFYSBASSA-N -1 1 326.396 3.050 20 10 EGCDMM C[C@@H](NCc1ccc(Cl)c(C(=O)[O-])n1)c1ccc(N(C)C)cc1 ZINC001593299721 994724034 /nfs/dbraw/zinc/72/40/34/994724034.db2.gz UPOXYISZFWFTGP-LLVKDONJSA-N -1 1 333.819 3.350 20 10 EGCDMM O=C(NCc1ccc(N2CCCC2)cc1)c1c(F)ccc([O-])c1F ZINC000280779964 456051232 /nfs/dbraw/zinc/05/12/32/456051232.db2.gz NFKMFKSIHGRKOT-UHFFFAOYSA-N -1 1 332.350 3.201 20 10 EGCDMM C[C@@H](NC(=O)c1c(F)ccc(O)c1[O-])c1cccc(N2CCCC2)c1 ZINC000276533264 456507513 /nfs/dbraw/zinc/50/75/13/456507513.db2.gz FBZKEHXJCXTSAD-GFCCVEGCSA-N -1 1 344.386 3.328 20 10 EGCDMM CC(=O)c1cc(Cl)cc(C[N@H+](CCC(=O)[O-])CC(C)C)c1[O-] ZINC000825946689 601389459 /nfs/dbraw/zinc/38/94/59/601389459.db2.gz LHGQWQRTHOXMRQ-UHFFFAOYSA-N -1 1 327.808 3.181 20 10 EGCDMM O=C(NCc1cccc(Br)c1[O-])c1ccncc1Cl ZINC000765751893 1302317708 /nfs/dbraw/zinc/31/77/08/1302317708.db2.gz TYLMEGCKQYSUAD-UHFFFAOYSA-N -1 1 341.592 3.133 20 10 EGCDMM COc1cccc(-c2nc(C=C3SC(=S)[N-]C3=O)cs2)c1 ZINC000072117926 1292275523 /nfs/dbraw/zinc/27/55/23/1292275523.db2.gz RVXYRWWUXABDNN-WDZFZDKYSA-N -1 1 334.447 3.308 20 10 EGCDMM COc1ccccc1C1(CNC(=O)c2c(F)ccc(O)c2[O-])CCC1 ZINC000828461215 1292465117 /nfs/dbraw/zinc/46/51/17/1292465117.db2.gz NYXLXXZPIZYRLQ-UHFFFAOYSA-N -1 1 345.370 3.097 20 10 EGCDMM COc1ccc([C@@H](C)NC(=O)c2c(F)ccc(O)c2[O-])c(C)c1OC ZINC000832071658 1292952975 /nfs/dbraw/zinc/95/29/75/1292952975.db2.gz JSELWUBKIICYLA-SNVBAGLBSA-N -1 1 349.358 3.054 20 10 EGCDMM COc1cc(C)[n-]c(=NNC(=S)Nc2ccc(C(C)C)cc2)n1 ZINC000747654900 1298818400 /nfs/dbraw/zinc/81/84/00/1298818400.db2.gz SMEAXRBOEYTAAF-UHFFFAOYSA-N -1 1 331.445 3.231 20 10 EGCDMM O=C(NCc1cccc(Br)c1[O-])c1ccc(Cl)cn1 ZINC000765728326 1302314326 /nfs/dbraw/zinc/31/43/26/1302314326.db2.gz HQCPICXVVRLOKV-UHFFFAOYSA-N -1 1 341.592 3.133 20 10 EGCDMM O=C(CCc1ccsc1)NCc1cccc(Br)c1[O-] ZINC000765750509 1302318823 /nfs/dbraw/zinc/31/88/23/1302318823.db2.gz HMXYBNAPAAQYLH-UHFFFAOYSA-N -1 1 340.242 3.465 20 10 EGCDMM N=C1Nc2nc3ccccc3n2[C@@H](c2cc(Cl)cc(F)c2[O-])N1 ZINC000768266399 1302870166 /nfs/dbraw/zinc/87/01/66/1302870166.db2.gz QKRVPMIJNPCWRO-ZDUSSCGKSA-N -1 1 331.738 3.031 20 10 EGCDMM O=C1NCCc2ccc(NCc3cccc(Br)c3[O-])cc21 ZINC000770578876 1303287938 /nfs/dbraw/zinc/28/79/38/1303287938.db2.gz LWGIJEXIXPWTNJ-UHFFFAOYSA-N -1 1 347.212 3.053 20 10 EGCDMM O=C1CCCCN1[C@H]1CCCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775682388 1304014009 /nfs/dbraw/zinc/01/40/09/1304014009.db2.gz WRBDLOLVGIJGIL-AWEZNQCLSA-N -1 1 340.826 3.162 20 10 EGCDMM CC[C@H]1CN(C(C)=O)[C@@H](CC)CN1Cc1cc(Cl)cc(F)c1[O-] ZINC000775720564 1304020279 /nfs/dbraw/zinc/02/02/79/1304020279.db2.gz LVNKFXMYRWLUTH-GJZGRUSLSA-N -1 1 342.842 3.406 20 10 EGCDMM O=C(OCC(=O)c1ccc([O-])c(O)c1)c1cc2c(cccc2F)s1 ZINC000781952480 1304895244 /nfs/dbraw/zinc/89/52/44/1304895244.db2.gz WTJCIASZYOPUBD-UHFFFAOYSA-N -1 1 346.335 3.491 20 10 EGCDMM CC(C)c1cccc(OCC(=O)OCC(=O)c2ccc([O-])c(O)c2)c1 ZINC000782993493 1305034865 /nfs/dbraw/zinc/03/48/65/1305034865.db2.gz KFNRLBNKVBQRAD-UHFFFAOYSA-N -1 1 344.363 3.026 20 10 EGCDMM O=C(COC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccc([O-])c(O)c1 ZINC000783023222 1305037753 /nfs/dbraw/zinc/03/77/53/1305037753.db2.gz GPWXIUCQHNPOGZ-MNOVXSKESA-N -1 1 346.301 3.192 20 10 EGCDMM O=C(COC(=O)c1ccc2sccc2c1)c1ccc([O-])c(O)c1 ZINC000784144983 1305196356 /nfs/dbraw/zinc/19/63/56/1305196356.db2.gz UOMVJBAKBCFWEK-UHFFFAOYSA-N -1 1 328.345 3.352 20 10 EGCDMM O=C1[N-]C(=S)S/C1=C\c1cnn(Cc2ccccc2)c1Cl ZINC000789128349 1306095889 /nfs/dbraw/zinc/09/58/89/1306095889.db2.gz SCTFCYISTIZDMD-WDZFZDKYSA-N -1 1 335.841 3.074 20 10 EGCDMM CN(Cc1nc2ccccc2s1)C(=O)c1c(F)ccc(O)c1[O-] ZINC000789943616 1306234829 /nfs/dbraw/zinc/23/48/29/1306234829.db2.gz AEFVOHALQREGSO-UHFFFAOYSA-N -1 1 332.356 3.119 20 10 EGCDMM O=C(N[C@H]1CCOc2c(Cl)cccc21)c1c(F)ccc(O)c1[O-] ZINC000789964169 1306238454 /nfs/dbraw/zinc/23/84/54/1306238454.db2.gz ZZOMTIQMBFWXTP-NSHDSACASA-N -1 1 337.734 3.144 20 10 EGCDMM C[C@H](CNC(=O)c1c([O-])c(O)ccc1F)Oc1ccccc1Cl ZINC000789986743 1306243089 /nfs/dbraw/zinc/24/30/89/1306243089.db2.gz LWIDOVWLKIURGB-SECBINFHSA-N -1 1 339.750 3.088 20 10 EGCDMM CC[C@@]1(O)CCC[N@@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000895444849 1309339599 /nfs/dbraw/zinc/33/95/99/1309339599.db2.gz UTZBFSUWMFFJID-CQSZACIVSA-N -1 1 332.213 3.031 20 10 EGCDMM Cc1cc([N-]S(=O)(=O)c2cccc3nonc32)c(Cl)cc1F ZINC000795366650 1309735252 /nfs/dbraw/zinc/73/52/52/1309735252.db2.gz BBIBHWVLTULOJQ-UHFFFAOYSA-N -1 1 341.751 3.125 20 10 EGCDMM COC(=O)c1occc1CNCc1cc(Cl)cc(Cl)c1[O-] ZINC000809774556 1317896512 /nfs/dbraw/zinc/89/65/12/1317896512.db2.gz OLGXKDIWCFJFOZ-UHFFFAOYSA-N -1 1 330.167 3.368 20 10 EGCDMM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000911745314 1318764158 /nfs/dbraw/zinc/76/41/58/1318764158.db2.gz SGVNCUJRMUUWIP-WDEREUQCSA-N -1 1 346.210 3.206 20 10 EGCDMM O=C1NCCN1Cc1ccccc1NCc1cc(Cl)c(F)cc1[O-] ZINC000816565311 1319184429 /nfs/dbraw/zinc/18/44/29/1319184429.db2.gz KNBOEAJIXSPHDI-UHFFFAOYSA-N -1 1 349.793 3.322 20 10 EGCDMM NC(=O)Nc1cc(NCc2cc(Cl)c(F)cc2[O-])ccc1F ZINC000816623416 1319197528 /nfs/dbraw/zinc/19/75/28/1319197528.db2.gz BLIITHAJIVEYNG-UHFFFAOYSA-N -1 1 327.718 3.427 20 10 EGCDMM C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1c([O-])c(O)ccc1F ZINC000825948344 1320373849 /nfs/dbraw/zinc/37/38/49/1320373849.db2.gz BYXQEJRCBONBSZ-JQWIXIFHSA-N -1 1 333.334 3.394 20 10 EGCDMM CCOC(=O)c1cnc(C(C)=Cc2ccc(N(C)C)cc2C)[n-]c1=O ZINC000840719937 1321134287 /nfs/dbraw/zinc/13/42/87/1321134287.db2.gz KDZGJAATPJHCDS-LCYFTJDESA-N -1 1 341.411 3.294 20 10 EGCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)c1[O-] ZINC000844753239 1321643694 /nfs/dbraw/zinc/64/36/94/1321643694.db2.gz GSJXTAMPDFEZKH-GASCZTMLSA-N -1 1 345.345 3.026 20 10 EGCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)c1[O-] ZINC000844753239 1321643695 /nfs/dbraw/zinc/64/36/95/1321643695.db2.gz GSJXTAMPDFEZKH-GASCZTMLSA-N -1 1 345.345 3.026 20 10 EGCDMM C[C@H]1C[N@@H+](Cc2c(O)cccc2Br)CC2(CCC2)O1 ZINC000862399850 1329482885 /nfs/dbraw/zinc/48/28/85/1329482885.db2.gz FFHKUFHWLNTUBQ-NSHDSACASA-N -1 1 326.234 3.298 20 10 EGCDMM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001183915235 1387370350 /nfs/dbraw/zinc/37/03/50/1387370350.db2.gz OVHKAGWJPIEVDY-VHDGCEQUSA-N -1 1 333.428 3.105 20 10 EGCDMM Cc1cc([N-]S(=O)(=O)c2ccc(-c3cnco3)cc2)ccc1O ZINC001185222900 1387656024 /nfs/dbraw/zinc/65/60/24/1387656024.db2.gz ZMXMGDWEOTVJCR-UHFFFAOYSA-N -1 1 330.365 3.156 20 10 EGCDMM COc1cc([N-]S(=O)(=O)c2ccc(F)c3ccccc32)ccc1O ZINC001189389497 1367009708 /nfs/dbraw/zinc/00/97/08/1367009708.db2.gz KNAHFKWRPTWGOA-UHFFFAOYSA-N -1 1 347.367 3.494 20 10 EGCDMM CCc1ccc(OC)c(S(=O)(=O)Nc2c(F)cc([O-])cc2F)c1 ZINC001192816267 1367881113 /nfs/dbraw/zinc/88/11/13/1367881113.db2.gz LGTUOFJTAVUZBO-UHFFFAOYSA-N -1 1 343.351 3.042 20 10 EGCDMM CN(Cc1nc2ccccc2o1)C(=O)c1ccc(O)c([O-])c1Cl ZINC001193233245 1367972686 /nfs/dbraw/zinc/97/26/86/1367972686.db2.gz WUJXOHHQKZDODS-UHFFFAOYSA-N -1 1 332.743 3.165 20 10 EGCDMM CC1(C)OCCC12CCN(C(=O)c1ccc(O)c([O-])c1Cl)CC2 ZINC001193233459 1367972798 /nfs/dbraw/zinc/97/27/98/1367972798.db2.gz ZINMKQGJMJINFU-UHFFFAOYSA-N -1 1 339.819 3.173 20 10 EGCDMM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(O)cc2O)c(C)c1C ZINC001201791894 1369624504 /nfs/dbraw/zinc/62/45/04/1369624504.db2.gz CSWDCEURTIIWSF-UHFFFAOYSA-N -1 1 335.425 3.441 20 10 EGCDMM CCCOC[C@@H](C)Oc1c([O-])ccc2c1C(=O)c1ccccc1C2=O ZINC001227581264 1375447245 /nfs/dbraw/zinc/44/72/45/1375447245.db2.gz YOQMGAJWAQDMKD-GFCCVEGCSA-N -1 1 340.375 3.362 20 10 EGCDMM COc1cccc(CCC[N@H+](C)Cc2cc(C(=O)[O-])ccc2[O-])c1 ZINC001231565570 1376267389 /nfs/dbraw/zinc/26/73/89/1376267389.db2.gz GRWWJYZJGHYFAC-UHFFFAOYSA-N -1 1 329.396 3.164 20 10 EGCDMM COc1cccc(CCC[N@@H+](C)Cc2cc(C(=O)[O-])ccc2[O-])c1 ZINC001231565570 1376267396 /nfs/dbraw/zinc/26/73/96/1376267396.db2.gz GRWWJYZJGHYFAC-UHFFFAOYSA-N -1 1 329.396 3.164 20 10 EGCDMM CN(C(=O)OC(C)(C)C)[C@@H]1CCN(Cc2ccc(F)c(F)c2[O-])C1 ZINC001233077318 1376563544 /nfs/dbraw/zinc/56/35/44/1376563544.db2.gz INSKORXLJYZMDH-GFCCVEGCSA-N -1 1 342.386 3.112 20 10 EGCDMM CC[C@@H](C)N1CC[C@]2(CCCN2Cc2c([O-])cc(F)cc2F)C1=O ZINC001272617290 1378076656 /nfs/dbraw/zinc/07/66/56/1378076656.db2.gz WKWNVHJQZHYMBO-KZULUSFZSA-N -1 1 338.398 3.036 20 10 EGCDMM CCOc1ccc(N2CCN(Cc3cc(F)c([O-])c(F)c3)CC2)cc1 ZINC001140992145 1378201434 /nfs/dbraw/zinc/20/14/34/1378201434.db2.gz PLLLZXHFAYELFF-UHFFFAOYSA-N -1 1 348.393 3.391 20 10 EGCDMM [O-]c1c(Br)cc(Cl)cc1CN1CC[C@@H]2CCO[C@H]2C1 ZINC001141367643 1378311842 /nfs/dbraw/zinc/31/18/42/1378311842.db2.gz JIDRGPPJEVPNOQ-RNCFNFMXSA-N -1 1 346.652 3.419 20 10 EGCDMM C[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1cc(F)c(F)cc1[O-] ZINC001142512506 1378451045 /nfs/dbraw/zinc/45/10/45/1378451045.db2.gz BGZPLGJRTCYWQR-NSHDSACASA-N -1 1 342.386 3.112 20 10 EGCDMM COC(=O)c1cccc2c1CCN(Cc1cc(F)c(F)cc1[O-])C2 ZINC001142530495 1378454411 /nfs/dbraw/zinc/45/44/11/1378454411.db2.gz IFJRLQNJVIQRID-UHFFFAOYSA-N -1 1 333.334 3.015 20 10 EGCDMM Cc1cc2c(nc(Cl)nc2NCC(=O)c2ccc([O-])c(O)c2)s1 ZINC001159276777 1381749745 /nfs/dbraw/zinc/74/97/45/1381749745.db2.gz LOWRFEUFMJDYEB-UHFFFAOYSA-N -1 1 349.799 3.359 20 10 EGCDMM Cc1nc(NCC(=O)c2ccc([O-])c(O)c2)cc(-c2ccccc2)n1 ZINC001170316588 1384289436 /nfs/dbraw/zinc/28/94/36/1384289436.db2.gz KTDNEBKTWDNAOW-UHFFFAOYSA-N -1 1 335.363 3.158 20 10 EGCDMM Cc1nc([C@@H](C)NCc2cc(C)cc(Br)c2[O-])no1 ZINC001329848067 1389236239 /nfs/dbraw/zinc/23/62/39/1389236239.db2.gz HBNNWXBEEPSBFF-MRVPVSSYSA-N -1 1 326.194 3.005 20 10 EGCDMM O=C1N[C@H](c2cccc(F)c2[O-])Nc2ccc(Br)cc21 ZINC001337382353 1389326592 /nfs/dbraw/zinc/32/65/92/1389326592.db2.gz TXJWSFBPCBJHIW-CYBMUJFWSA-N -1 1 337.148 3.148 20 10 EGCDMM CN(C)c1ccc(CNc2ccc(Cl)c(-c3nnn[n-]3)c2)cc1F ZINC000825878717 1426769218 /nfs/dbraw/zinc/76/92/18/1426769218.db2.gz COUKFWXRHBNYBC-UHFFFAOYSA-N -1 1 346.797 3.337 20 10 EGCDMM CCCOc1ccc(CN[C@@H]2CCCn3nc(C(=O)[O-])cc32)cc1C ZINC000900074644 980246850 /nfs/dbraw/zinc/24/68/50/980246850.db2.gz WZTSVVMPQDDGPV-OAHLLOKOSA-N -1 1 343.427 3.303 20 10 EGCDMM C[C@@H]([NH2+]Cc1ccc(Cl)cc1[O-])[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593298280 994712219 /nfs/dbraw/zinc/71/22/19/994712219.db2.gz HHQWEBMBIHQXMG-WBMJQRKESA-N -1 1 333.815 3.467 20 10 EGCDMM C[C@]1([NH2+]Cc2ccc(Br)cc2[O-])CCCC[C@H]1C(=O)[O-] ZINC001594059930 997825615 /nfs/dbraw/zinc/82/56/15/997825615.db2.gz GTUTZNCXFRRSOZ-WFASDCNBSA-N -1 1 342.233 3.278 20 10 EGCDMM O=S(=O)([N-]c1cc(Cl)ccc1F)c1cccc2nsnc21 ZINC000019108592 453654498 /nfs/dbraw/zinc/65/44/98/453654498.db2.gz GXNGGNHZKJTARY-UHFFFAOYSA-N -1 1 343.792 3.285 20 10 EGCDMM C[C@H]1CC[C@@H](CCC(=O)NCc2cccc(Br)c2[O-])O1 ZINC000277576185 455602828 /nfs/dbraw/zinc/60/28/28/455602828.db2.gz RCFRPYHHSUBYHI-JQWIXIFHSA-N -1 1 342.233 3.119 20 10 EGCDMM C[C@H]1CC[C@H](CCC(=O)NCc2cccc(Br)c2[O-])O1 ZINC000277576183 455602901 /nfs/dbraw/zinc/60/29/01/455602901.db2.gz RCFRPYHHSUBYHI-CMPLNLGQSA-N -1 1 342.233 3.119 20 10 EGCDMM Cc1cc(CN(C)Cc2nc(=O)c3sccc3[n-]2)ccc1N(C)C ZINC000294624020 455821686 /nfs/dbraw/zinc/82/16/86/455821686.db2.gz OXDIUMWCDQMYCY-UHFFFAOYSA-N -1 1 342.468 3.403 20 10 EGCDMM O=C(c1c([O-])c(O)ccc1F)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000295937338 455863687 /nfs/dbraw/zinc/86/36/87/455863687.db2.gz STPFFTGRVHEPBR-LBPRGKRZSA-N -1 1 333.334 3.081 20 10 EGCDMM COc1ccc(CC[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cc1 ZINC000737992191 576278661 /nfs/dbraw/zinc/27/86/61/576278661.db2.gz JRALHXLMEWASRX-UHFFFAOYSA-N -1 1 349.814 3.184 20 10 EGCDMM COc1ccc(CC[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cc1 ZINC000737992191 576278665 /nfs/dbraw/zinc/27/86/65/576278665.db2.gz JRALHXLMEWASRX-UHFFFAOYSA-N -1 1 349.814 3.184 20 10 EGCDMM O=C(CSc1nnc(-c2ccccc2)o1)c1ccc([O-])c(O)c1 ZINC000008234150 1291100013 /nfs/dbraw/zinc/10/00/13/1291100013.db2.gz TZQWMGCQHMOHLK-UHFFFAOYSA-N -1 1 328.349 3.123 20 10 EGCDMM CNC(=O)c1ccc(NCc2cccc(Br)c2[O-])cc1 ZINC000048795984 1291618572 /nfs/dbraw/zinc/61/85/72/1291618572.db2.gz UWNRUHRRODJPAO-UHFFFAOYSA-N -1 1 335.201 3.126 20 10 EGCDMM C[C@H](NCc1ccn(-c2ccccc2)n1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756491719 1300506349 /nfs/dbraw/zinc/50/63/49/1300506349.db2.gz YDWVMAYRUBGBKZ-ZDUSSCGKSA-N -1 1 338.367 3.337 20 10 EGCDMM C[C@H](Nc1ccc(CS(C)(=O)=O)cc1)c1cc(F)cc(F)c1[O-] ZINC000756831951 1300574158 /nfs/dbraw/zinc/57/41/58/1300574158.db2.gz QEDAZOWKWOTWRY-JTQLQIEISA-N -1 1 341.379 3.388 20 10 EGCDMM CC(=O)c1cc(Cl)cc(CN2CCc3ccccc3[C@@H]2CO)c1[O-] ZINC000761907150 1301563452 /nfs/dbraw/zinc/56/34/52/1301563452.db2.gz HTCKYVQHEFSDHV-SFHVURJKSA-N -1 1 345.826 3.340 20 10 EGCDMM CCC(C)(C)CNC(=O)NCc1cccc(Br)c1[O-] ZINC000764807473 1302141095 /nfs/dbraw/zinc/14/10/95/1302141095.db2.gz NBMDJCVUPXTAJV-UHFFFAOYSA-N -1 1 329.238 3.390 20 10 EGCDMM [O-]c1c(F)cc(F)cc1CNc1ccc(N2CCC(O)CC2)cc1 ZINC000882908031 1302157594 /nfs/dbraw/zinc/15/75/94/1302157594.db2.gz AHWKJHKJAHAEOB-UHFFFAOYSA-N -1 1 334.366 3.244 20 10 EGCDMM O=C(COC1CCCCC1)NCc1cccc(Br)c1[O-] ZINC000765727845 1302314625 /nfs/dbraw/zinc/31/46/25/1302314625.db2.gz PSJQZFIZRNFLPX-UHFFFAOYSA-N -1 1 342.233 3.120 20 10 EGCDMM O=C(CCC(F)(F)F)NCc1cccc(Br)c1[O-] ZINC000765747022 1302316954 /nfs/dbraw/zinc/31/69/54/1302316954.db2.gz JUVWOZRDQGPYKJ-UHFFFAOYSA-N -1 1 326.112 3.113 20 10 EGCDMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000775410275 1303959451 /nfs/dbraw/zinc/95/94/51/1303959451.db2.gz KMQGYJQCZFZGPH-GFCCVEGCSA-N -1 1 342.443 3.171 20 10 EGCDMM C[C@@H](C(=O)NC(C)(C)C)N(C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000777218550 1304270049 /nfs/dbraw/zinc/27/00/49/1304270049.db2.gz ASXJDILZNWEDPW-VIFPVBQESA-N -1 1 333.259 3.434 20 10 EGCDMM Cc1cc(C)cc(C2(C(=O)OCC(=O)c3ccc([O-])c(O)c3)CC2)c1 ZINC000783064712 1305044442 /nfs/dbraw/zinc/04/44/42/1305044442.db2.gz UXZZNVIBWHSEPZ-UHFFFAOYSA-N -1 1 340.375 3.172 20 10 EGCDMM CCc1ccc([C@@H](C)C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC000783437857 1305092230 /nfs/dbraw/zinc/09/22/30/1305092230.db2.gz OXRMCTXHEGGGOT-GFCCVEGCSA-N -1 1 328.364 3.190 20 10 EGCDMM C[C@H](CCc1cccc(F)c1)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783928127 1305164591 /nfs/dbraw/zinc/16/45/91/1305164591.db2.gz QAZBGAHMMHYTHC-GFCCVEGCSA-N -1 1 346.354 3.232 20 10 EGCDMM CC(C)(C)c1ccccc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784278021 1305220442 /nfs/dbraw/zinc/22/04/42/1305220442.db2.gz GFSPMFLUPZDOGZ-UHFFFAOYSA-N -1 1 328.364 3.435 20 10 EGCDMM O=C(COC(=O)[C@@H]1CCc2c1cccc2Cl)c1ccc([O-])c(O)c1 ZINC000784545284 1305256767 /nfs/dbraw/zinc/25/67/67/1305256767.db2.gz PAAFRAOAVRCLMH-CYBMUJFWSA-N -1 1 346.766 3.207 20 10 EGCDMM CCSCc1ccccc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000789099415 1306090495 /nfs/dbraw/zinc/09/04/95/1306090495.db2.gz BOGDBDCDFVAJKS-UHFFFAOYSA-N -1 1 346.404 3.391 20 10 EGCDMM C[C@H](Cc1nc2ccccc2s1)NC(=O)c1c(F)ccc(O)c1[O-] ZINC000789991338 1306244070 /nfs/dbraw/zinc/24/40/70/1306244070.db2.gz RYLXXPLZIAQRJV-SECBINFHSA-N -1 1 346.383 3.208 20 10 EGCDMM Cn1nc([C@@H]2CCCOC2)cc1NCc1c([O-])ccc(Cl)c1F ZINC000790486522 1306336892 /nfs/dbraw/zinc/33/68/92/1306336892.db2.gz BNCZGXDRRDTICC-SNVBAGLBSA-N -1 1 339.798 3.424 20 10 EGCDMM O=C(NCc1cccc(Br)c1[O-])[C@H]1CCC(F)(F)C1 ZINC000795357086 1309732644 /nfs/dbraw/zinc/73/26/44/1309732644.db2.gz UTPDMOLYNSAZPJ-QMMMGPOBSA-N -1 1 334.160 3.206 20 10 EGCDMM COc1cc([N-]S(=O)(=O)c2cccc3ccccc32)ccc1O ZINC000797820133 1310252314 /nfs/dbraw/zinc/25/23/14/1310252314.db2.gz HUCDPUXMBCLIOO-UHFFFAOYSA-N -1 1 329.377 3.355 20 10 EGCDMM O=C1[N-]C(=S)S/C1=C/c1c(F)ccc(Br)c1F ZINC000799890090 1310634188 /nfs/dbraw/zinc/63/41/88/1310634188.db2.gz XQIFQWBSXBTSAG-XVNBXDOJSA-N -1 1 336.182 3.216 20 10 EGCDMM CCS(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)c1ccc(F)cc1 ZINC000800048231 1310662730 /nfs/dbraw/zinc/66/27/30/1310662730.db2.gz WTHCXVCFDIOKGW-UHFFFAOYSA-N -1 1 341.791 3.472 20 10 EGCDMM CC(C)(C)n1cc(CNCc2cc(Cl)cc(Cl)c2[O-])nn1 ZINC000809775581 1317898181 /nfs/dbraw/zinc/89/81/81/1317898181.db2.gz DWYDECVUHOIBRV-UHFFFAOYSA-N -1 1 329.231 3.335 20 10 EGCDMM CC1(C)C[C@@H](NC(=O)c2c(F)ccc(O)c2[O-])c2ccc(F)cc2O1 ZINC000827035286 1320422251 /nfs/dbraw/zinc/42/22/51/1320422251.db2.gz NSYFGLDOZBKEOJ-GFCCVEGCSA-N -1 1 349.333 3.408 20 10 EGCDMM CCn1ccc(CN[C@@H](C)c2cc(Br)cc(F)c2[O-])n1 ZINC000840839889 1321160738 /nfs/dbraw/zinc/16/07/38/1321160738.db2.gz APNSDSUUTZWOEC-VIFPVBQESA-N -1 1 342.212 3.361 20 10 EGCDMM Cc1cc(Br)c([O-])c(CN[C@H](C)c2csnn2)c1 ZINC000840970265 1321190621 /nfs/dbraw/zinc/19/06/21/1321190621.db2.gz QLCYAUZHILDIFP-MRVPVSSYSA-N -1 1 328.235 3.165 20 10 EGCDMM O=S(=O)([N-]c1ccc(O)c(Br)c1)c1ccsc1 ZINC001185382918 1387699334 /nfs/dbraw/zinc/69/93/34/1387699334.db2.gz QIVCRMVKCVHGKI-UHFFFAOYSA-N -1 1 334.216 3.017 20 10 EGCDMM CC(C)(C)c1ccc(NC(=O)NCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC001191161462 1367435987 /nfs/dbraw/zinc/43/59/87/1367435987.db2.gz ARYRTFKIGFADFU-UHFFFAOYSA-N -1 1 342.395 3.400 20 10 EGCDMM Cc1cc([N-]S(=O)(=O)c2cnc(Cl)c(C)c2)c(C)cc1O ZINC001192568520 1367818263 /nfs/dbraw/zinc/81/82/63/1367818263.db2.gz VKZCVTYNSNDMRI-UHFFFAOYSA-N -1 1 326.805 3.167 20 10 EGCDMM COc1ccccc1[C@@H]1CCN(C(=O)c2ccc(O)c([O-])c2Cl)C1 ZINC001193210186 1367967364 /nfs/dbraw/zinc/96/73/64/1367967364.db2.gz VOEAYWAZSKDVHM-LLVKDONJSA-N -1 1 347.798 3.390 20 10 EGCDMM O=C(c1ccc(O)c([O-])c1Cl)N1CC[C@](CF)(C(F)(F)F)C1 ZINC001193219457 1367970170 /nfs/dbraw/zinc/97/01/70/1367970170.db2.gz ICNKDVLNSVYDDD-GFCCVEGCSA-N -1 1 341.688 3.115 20 10 EGCDMM COC(=O)c1c(C)scc1NC(=O)c1ccc(O)c([O-])c1Cl ZINC001193220801 1367970265 /nfs/dbraw/zinc/97/02/65/1367970265.db2.gz XMWPZMNVCNWZTL-UHFFFAOYSA-N -1 1 341.772 3.160 20 10 EGCDMM COc1ccnc(C(=O)N(Cc2ccccc2)c2ccc(N)cc2)c1[O-] ZINC001193531156 1368054462 /nfs/dbraw/zinc/05/44/62/1368054462.db2.gz GOODECJKDYGSGJ-UHFFFAOYSA-N -1 1 349.390 3.225 20 10 EGCDMM O=S(=O)([N-]c1cc(F)c(O)c(F)c1)c1ccc2occc2c1 ZINC001198862447 1369133034 /nfs/dbraw/zinc/13/30/34/1369133034.db2.gz UKRIGBUWIXRSJV-UHFFFAOYSA-N -1 1 325.292 3.217 20 10 EGCDMM Cn1cc2cccc(-c3noc(-c4ccc(O)c([O-])c4Cl)n3)c2n1 ZINC001216951317 1373370381 /nfs/dbraw/zinc/37/03/81/1373370381.db2.gz FOKMTOCEDPVECT-UHFFFAOYSA-N -1 1 342.742 3.355 20 10 EGCDMM CCOC[C@@H]1CN(Cc2cccc(Cl)c2[O-])Cc2c1cnn2CC ZINC001231909585 1376345921 /nfs/dbraw/zinc/34/59/21/1376345921.db2.gz DUTWYHNCFUHPJB-AWEZNQCLSA-N -1 1 349.862 3.398 20 10 EGCDMM [O-]c1ccc(F)c(F)c1CN1CCN(c2cc(Cl)ccn2)CC1 ZINC001233335448 1376619574 /nfs/dbraw/zinc/61/95/74/1376619574.db2.gz VSYNOQSJERJUIF-UHFFFAOYSA-N -1 1 339.773 3.041 20 10 EGCDMM [O-]c1cccc(F)c1CN1CC[C@@H](N2CCCCC2)C(F)(F)C1 ZINC001137841857 1377628664 /nfs/dbraw/zinc/62/86/64/1377628664.db2.gz XTSHCQOEGVQLTC-MRXNPFEDSA-N -1 1 328.378 3.227 20 10 EGCDMM [O-]c1cc(Cl)ccc1CN1CCn2ncc(Br)c2C1 ZINC001140468771 1378069195 /nfs/dbraw/zinc/06/91/95/1378069195.db2.gz XDUXJFRABOEXLS-UHFFFAOYSA-N -1 1 342.624 3.020 20 10 EGCDMM Cc1nc2cc(Cl)ccc2c(NCC(=O)c2ccc([O-])c(O)c2)n1 ZINC001159277704 1381749692 /nfs/dbraw/zinc/74/96/92/1381749692.db2.gz VSCLBVGPKXFKMO-UHFFFAOYSA-N -1 1 343.770 3.298 20 10 EGCDMM Cc1c(Cl)cnc(Cl)c1NCC(=O)c1ccc([O-])c(O)c1 ZINC001159279541 1381749718 /nfs/dbraw/zinc/74/97/18/1381749718.db2.gz STDUJBLWGQWNOY-UHFFFAOYSA-N -1 1 327.167 3.403 20 10 EGCDMM Cc1sc2nc(C)nc(NCC(=O)c3ccc([O-])c(O)c3)c2c1C ZINC001159276104 1381750046 /nfs/dbraw/zinc/75/00/46/1381750046.db2.gz FEMYQCHEMNQLQL-UHFFFAOYSA-N -1 1 343.408 3.323 20 10 EGCDMM O=C(CNc1cc(Cl)ncc1C(F)(F)F)c1ccc([O-])c(O)c1 ZINC001170313683 1384288351 /nfs/dbraw/zinc/28/83/51/1384288351.db2.gz BQKINWNHYONARX-UHFFFAOYSA-N -1 1 346.692 3.460 20 10 EGCDMM CC[C@H](C)c1nnc([C@@H](C)N[C@@H](C)c2cc(C(=O)[O-])ccc2O)[nH]1 ZINC001595015302 982960846 /nfs/dbraw/zinc/96/08/46/982960846.db2.gz HWCRWQAGBWDWIC-GARJFASQSA-N -1 1 332.404 3.134 20 10 EGCDMM CN(C)c1ccc(CNc2[nH]c3cccc(C(=O)[O-])c3[nH+]2)cc1F ZINC001598320770 991319680 /nfs/dbraw/zinc/31/96/80/991319680.db2.gz RPKNMNNGEPDTTL-UHFFFAOYSA-N -1 1 328.347 3.078 20 10 EGCDMM CC(=O)c1cc(Cl)cc(CN2CCOC[C@@H]2c2cccn2C)c1[O-] ZINC000131740780 454280649 /nfs/dbraw/zinc/28/06/49/454280649.db2.gz JTLBWDGQBUYDNB-QGZVFWFLSA-N -1 1 348.830 3.160 20 10 EGCDMM Cc1ccccc1CN(C)C(=O)[C@H](C)N(C)Cc1ccccc1O ZINC000111236041 454859099 /nfs/dbraw/zinc/85/90/99/454859099.db2.gz WWUWDMGMOSVGES-INIZCTEOSA-N -1 1 326.440 3.180 20 10 EGCDMM CC(C)=CCCNC(=O)NCc1cccc(Br)c1[O-] ZINC000277356944 456793634 /nfs/dbraw/zinc/79/36/34/456793634.db2.gz GSTYODQPPFZWAE-UHFFFAOYSA-N -1 1 327.222 3.310 20 10 EGCDMM CC(C)c1cc(C(=O)NCc2cccc(Br)c2[O-])on1 ZINC000277389658 456804496 /nfs/dbraw/zinc/80/44/96/456804496.db2.gz AKMGLQHOEGGQRB-UHFFFAOYSA-N -1 1 339.189 3.196 20 10 EGCDMM O=C([O-])CN(CCOc1ccccc1)Cc1cc(Cl)ccc1O ZINC000739794403 574544913 /nfs/dbraw/zinc/54/49/13/574544913.db2.gz YAVLBQPBHQWYCC-UHFFFAOYSA-N -1 1 335.787 3.011 20 10 EGCDMM O=C([O-])c1cccc(C[NH2+]Cc2cc(Br)ccc2[O-])c1 ZINC000821552810 598194506 /nfs/dbraw/zinc/19/45/06/598194506.db2.gz SXJLKEFIGREMPS-UHFFFAOYSA-N -1 1 336.185 3.143 20 10 EGCDMM O=C1[N-]C(=S)S/C1=C\c1cnn(Cc2ccccc2Cl)c1 ZINC000017699951 1291183586 /nfs/dbraw/zinc/18/35/86/1291183586.db2.gz UNTSBXIMCLPLLO-XGICHPGQSA-N -1 1 335.841 3.074 20 10 EGCDMM CN(Cc1ccccc1O)C(=O)c1cc(Br)ccc1[O-] ZINC000048606739 1291613109 /nfs/dbraw/zinc/61/31/09/1291613109.db2.gz RQGJLCDEFVLTPD-UHFFFAOYSA-N -1 1 336.185 3.133 20 10 EGCDMM O=C(N[C@H]1CC[C@H](c2ccc(F)cc2)C1)c1c([O-])c(O)ccc1F ZINC000830924172 1292786299 /nfs/dbraw/zinc/78/62/99/1292786299.db2.gz TXTGVBNAGRBVHG-AAEUAGOBSA-N -1 1 333.334 3.442 20 10 EGCDMM CCN(CC)c1ccc(CNC(=O)c2ccc([O-])cc2F)cc1F ZINC000154877387 1294075106 /nfs/dbraw/zinc/07/51/06/1294075106.db2.gz WDIQQYVZLGXRMU-UHFFFAOYSA-N -1 1 334.366 3.447 20 10 EGCDMM COc1sc(C=C2SC(=S)[N-]C2=O)cc1Br ZINC000255142347 1296504537 /nfs/dbraw/zinc/50/45/37/1296504537.db2.gz ALDMUDTUIAFLFU-UTCJRWHESA-N -1 1 336.257 3.008 20 10 EGCDMM O=C1[N-]C(=S)S/C1=C/c1ccc(OCc2ccccc2)cc1O ZINC000575327268 1298000063 /nfs/dbraw/zinc/00/00/63/1298000063.db2.gz KEYPJUZEAZRRHT-OVCLIPMQSA-N -1 1 343.429 3.460 20 10 EGCDMM CC[C@@H]1CN(Cc2cc(Br)cc(F)c2[O-])CCCO1 ZINC000715738755 1298286065 /nfs/dbraw/zinc/28/60/65/1298286065.db2.gz QAVUYIKMPNALOL-GFCCVEGCSA-N -1 1 332.213 3.295 20 10 EGCDMM CC(=O)c1cc(Cl)cc(CNC(C)(C)C(=O)OC(C)C)c1[O-] ZINC000934818094 1330009114 /nfs/dbraw/zinc/00/91/14/1330009114.db2.gz RCGJOYVXBVXZTG-UHFFFAOYSA-N -1 1 327.808 3.068 20 10 EGCDMM C[C@H](Nc1ccc2c(c1)N(C)C(=O)CO2)c1cc(F)cc(F)c1[O-] ZINC000756839676 1300574088 /nfs/dbraw/zinc/57/40/88/1300574088.db2.gz HICDAORJADKZEK-VIFPVBQESA-N -1 1 334.322 3.199 20 10 EGCDMM CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000758774349 1300953447 /nfs/dbraw/zinc/95/34/47/1300953447.db2.gz PVZQNYAIZHPWRJ-UHFFFAOYSA-N -1 1 345.420 3.274 20 10 EGCDMM Cn1nc(CNCc2cc(Cl)cc([N+](=O)[O-])c2[O-])c2ccccc21 ZINC000759190442 1301036507 /nfs/dbraw/zinc/03/65/07/1301036507.db2.gz LAHQMFQMMQQEFP-UHFFFAOYSA-N -1 1 346.774 3.130 20 10 EGCDMM Cc1cc(C(=O)NCc2cccc(Br)c2[O-])ccc1O ZINC000765751870 1302318072 /nfs/dbraw/zinc/31/80/72/1302318072.db2.gz SRBIASWROICYPW-UHFFFAOYSA-N -1 1 336.185 3.099 20 10 EGCDMM Cc1cnc(C(=O)NCc2cccc(Br)c2[O-])c(C)c1 ZINC000765764074 1302320487 /nfs/dbraw/zinc/32/04/87/1302320487.db2.gz HDOOHPKMTMCKDV-UHFFFAOYSA-N -1 1 335.201 3.097 20 10 EGCDMM CC(C)CCO[C@@H](C)C(=O)NCc1cccc(Br)c1[O-] ZINC000765769196 1302322604 /nfs/dbraw/zinc/32/26/04/1302322604.db2.gz JUKIFJHMXXNEJH-NSHDSACASA-N -1 1 344.249 3.222 20 10 EGCDMM COc1ccc2c(c1)C(=O)N(C)[C@H](c1cc(Cl)cc(F)c1[O-])N2 ZINC000768275027 1302870310 /nfs/dbraw/zinc/87/03/10/1302870310.db2.gz ZGWMZYZMQHKBJO-OAHLLOKOSA-N -1 1 336.750 3.390 20 10 EGCDMM O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1cccc(-c2cccnc2)c1 ZINC000768489940 1302918328 /nfs/dbraw/zinc/91/83/28/1302918328.db2.gz KQMLSAGRSGJQAH-CPNJWEJPSA-N -1 1 341.370 3.210 20 10 EGCDMM CC(C)n1ncc2cc(S(=O)(=O)[N-]c3ccc(O)cc3)ccc21 ZINC000776745131 1304192441 /nfs/dbraw/zinc/19/24/41/1304192441.db2.gz SESBZGIHXHRKIK-UHFFFAOYSA-N -1 1 331.397 3.124 20 10 EGCDMM COCc1ccccc1S(=O)(=O)[N-]c1cccc(N2CCCC2)c1 ZINC000778662374 1304477384 /nfs/dbraw/zinc/47/73/84/1304477384.db2.gz XNNBGQRSCGUSHL-UHFFFAOYSA-N -1 1 346.452 3.234 20 10 EGCDMM C[C@H](CC(=O)OCC(=O)c1ccc([O-])c(O)c1)c1ccc(F)cc1 ZINC000783653530 1305123535 /nfs/dbraw/zinc/12/35/35/1305123535.db2.gz CYFAGQMMTZICCI-LLVKDONJSA-N -1 1 332.327 3.157 20 10 EGCDMM CC[C@H](Sc1ccccc1)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000785928254 1305473075 /nfs/dbraw/zinc/47/30/75/1305473075.db2.gz XHZYMTKFFFKOLW-KRWDZBQOSA-N -1 1 346.404 3.395 20 10 EGCDMM Cc1ccc(S(=O)(=O)Nc2cc(Cl)c([O-])c(Cl)c2)cn1 ZINC000788140544 1305877868 /nfs/dbraw/zinc/87/78/68/1305877868.db2.gz ZOJQEYXKSNTBQU-UHFFFAOYSA-N -1 1 333.196 3.203 20 10 EGCDMM COc1ccc([C@H](C)CCNC(=O)c2c(F)ccc(O)c2[O-])cc1 ZINC000789981939 1306242519 /nfs/dbraw/zinc/24/25/19/1306242519.db2.gz ZLOQOIONBVTKDU-LLVKDONJSA-N -1 1 333.359 3.169 20 10 EGCDMM C[C@@H]1CCC[C@H]1CNC(=O)NCc1cccc(Br)c1[O-] ZINC000798511102 1310376027 /nfs/dbraw/zinc/37/60/27/1310376027.db2.gz FXXRUMCJUKLWGG-MNOVXSKESA-N -1 1 341.249 3.390 20 10 EGCDMM [O-]c1c(F)cc(Br)cc1CNc1nnc(C2CC2)o1 ZINC000905407036 1317956373 /nfs/dbraw/zinc/95/63/73/1317956373.db2.gz SNJGBLDWIFPXGL-UHFFFAOYSA-N -1 1 328.141 3.166 20 10 EGCDMM [O-]c1c(F)cc(Cl)cc1CN1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000811519841 1318194411 /nfs/dbraw/zinc/19/44/11/1318194411.db2.gz FIQZEEUCCYSSIO-GFCCVEGCSA-N -1 1 330.190 3.482 20 10 EGCDMM CCn1nnnc1-c1cccc(NCc2cc(Cl)c(F)cc2[O-])c1 ZINC000816527281 1319176073 /nfs/dbraw/zinc/17/60/73/1319176073.db2.gz DBCDDFWQZWWWRN-UHFFFAOYSA-N -1 1 347.781 3.470 20 10 EGCDMM CC1(C)C[C@H](NC(=O)c2c(F)ccc(O)c2[O-])c2cc(F)ccc2O1 ZINC000846658568 1321799514 /nfs/dbraw/zinc/79/95/14/1321799514.db2.gz KCWWMADBOFRRTO-LBPRGKRZSA-N -1 1 349.333 3.408 20 10 EGCDMM CC(C)CN1C(=O)C(=CNc2ccc(C(C)C)cc2)C(=O)[N-]C1=S ZINC000920976618 1322240120 /nfs/dbraw/zinc/24/01/20/1322240120.db2.gz ZISWFFLAPLDPDN-OQLLNIDSSA-N -1 1 345.468 3.005 20 10 EGCDMM COC[C@](C)(NCc1cc(Cl)cc(C(C)=O)c1[O-])C(F)(F)F ZINC000852718380 1323231112 /nfs/dbraw/zinc/23/11/12/1323231112.db2.gz ZVLIPDFSBPLFKE-ZDUSSCGKSA-N -1 1 339.741 3.305 20 10 EGCDMM O=C(Nc1ccccc1-n1cccn1)c1ccc(O)c([O-])c1Cl ZINC001193232475 1367972425 /nfs/dbraw/zinc/97/24/25/1367972425.db2.gz LCZYAIOJKIKZST-UHFFFAOYSA-N -1 1 329.743 3.189 20 10 EGCDMM COc1cccc2[nH]cc(CNC(=O)c3ccc(O)c([O-])c3Cl)c21 ZINC001193247187 1367979090 /nfs/dbraw/zinc/97/90/90/1367979090.db2.gz OGRKPGCOSVBYOV-UHFFFAOYSA-N -1 1 346.770 3.171 20 10 EGCDMM C[C@H](Oc1c([O-])ccc2c1C(=O)c1ccccc1C2=O)c1cncnc1 ZINC001227580079 1375446827 /nfs/dbraw/zinc/44/68/27/1375446827.db2.gz GGVCZXRPDVDWPI-NSHDSACASA-N -1 1 346.342 3.098 20 10 EGCDMM COc1ccc(N2CCN(Cc3ccc(F)c(F)c3[O-])CC2)cc1 ZINC001233074399 1376563202 /nfs/dbraw/zinc/56/32/02/1376563202.db2.gz PECXPFRCFVOGHZ-UHFFFAOYSA-N -1 1 334.366 3.001 20 10 EGCDMM [O-]c1c(Cl)cc(F)cc1CN1CCC[C@H](Oc2ncccn2)C1 ZINC001237802633 1376988240 /nfs/dbraw/zinc/98/82/40/1376988240.db2.gz NBWZQNAZSUGOKK-ZDUSSCGKSA-N -1 1 337.782 3.018 20 10 EGCDMM Cc1ncccc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001251383778 1377085521 /nfs/dbraw/zinc/08/55/21/1377085521.db2.gz GSVJKODVYCXLCV-UHFFFAOYSA-N -1 1 333.196 3.203 20 10 EGCDMM CC(C)(C)OC(=O)N1C[C@@H]2[C@H]1CCCN2Cc1c([O-])cccc1F ZINC001137833233 1377625978 /nfs/dbraw/zinc/62/59/78/1377625978.db2.gz XTTNVQBDZWZNOK-HUUCEWRRSA-N -1 1 336.407 3.115 20 10 EGCDMM Cc1ccnc(OC2CCN(Cc3c(F)ccc(F)c3[O-])CC2)c1 ZINC001139690229 1377935113 /nfs/dbraw/zinc/93/51/13/1377935113.db2.gz TUSHRQIKVGKPRD-UHFFFAOYSA-N -1 1 334.366 3.417 20 10 EGCDMM C[C@H]1C[C@H](O)CCN1Cc1cc(Cl)cc(Br)c1[O-] ZINC001141373329 1378313373 /nfs/dbraw/zinc/31/33/73/1378313373.db2.gz YYUNDLXWBNTAGO-GZMMTYOYSA-N -1 1 334.641 3.153 20 10 EGCDMM [O-]c1cc(F)c(F)cc1CN1CCN(Cc2ccccc2F)CC1 ZINC001142520956 1378452082 /nfs/dbraw/zinc/45/20/82/1378452082.db2.gz RZJXWSFVNQYUEU-UHFFFAOYSA-N -1 1 336.357 3.127 20 10 EGCDMM O=C(Nc1ccccc1C(F)F)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155228609 1380426833 /nfs/dbraw/zinc/42/68/33/1380426833.db2.gz UDZBDKXICZOYKK-UHFFFAOYSA-N -1 1 347.273 3.394 20 10 EGCDMM COc1cc2ccnc(NCC(=O)c3ccc([O-])c(O)c3)c2cc1F ZINC001159280162 1381749875 /nfs/dbraw/zinc/74/98/75/1381749875.db2.gz CXRYHLKNMVODIE-UHFFFAOYSA-N -1 1 342.326 3.089 20 10 EGCDMM Cc1ccc2nc(Cl)nc(NCC(=O)c3ccc([O-])c(O)c3)c2c1 ZINC001170314124 1384288622 /nfs/dbraw/zinc/28/86/22/1384288622.db2.gz OIMKSGKFOHMTNI-UHFFFAOYSA-N -1 1 343.770 3.298 20 10 EGCDMM O=C(CNc1nccc2c3c([nH]c21)CCCC3)c1ccc([O-])c(O)c1 ZINC001170316675 1384289283 /nfs/dbraw/zinc/28/92/83/1384289283.db2.gz XMWWYIMOFBHQKJ-UHFFFAOYSA-N -1 1 337.379 3.148 20 10 EGCDMM COc1cc(C(F)(F)F)ccc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001170314818 1384289449 /nfs/dbraw/zinc/28/94/49/1384289449.db2.gz IVZVRBKYTKXQKJ-UHFFFAOYSA-N -1 1 341.285 3.420 20 10 EGCDMM Cc1cc(C)c([N+](=O)[O-])c(C)c1NCC(=O)c1ccc([O-])c(O)c1 ZINC001170315439 1384289489 /nfs/dbraw/zinc/28/94/89/1384289489.db2.gz YPAJQXVTBTVHGX-UHFFFAOYSA-N -1 1 330.340 3.226 20 10 EGCDMM Cc1ccc(N)cc1S(=O)(=O)[N-]c1cccc(N2CCCCC2)c1 ZINC001174302074 1385094819 /nfs/dbraw/zinc/09/48/19/1385094819.db2.gz BXKCMKVJLLOVCI-UHFFFAOYSA-N -1 1 345.468 3.368 20 10 EGCDMM C[C@H](Nc1cnn(Cc2cccnc2)c1)c1cc(F)cc(F)c1[O-] ZINC001321036803 1386790140 /nfs/dbraw/zinc/79/01/40/1386790140.db2.gz FOUCQPFWQNBGJA-NSHDSACASA-N -1 1 330.338 3.483 20 10 EGCDMM CCN(CC)c1ccc(CNc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000821197096 1427145370 /nfs/dbraw/zinc/14/53/70/1427145370.db2.gz GCFXCSJOUFOUDH-UHFFFAOYSA-N -1 1 340.406 3.464 20 10 EGCDMM O=C([O-])C[N@@H+](Cc1cc(Cl)cc(Br)c1[O-])C1CCC1 ZINC001595072788 951612556 /nfs/dbraw/zinc/61/25/56/951612556.db2.gz OHNPUPKXRNGVKY-UHFFFAOYSA-N -1 1 348.624 3.247 20 10 EGCDMM CC(=O)c1cc(Cl)cc(C[N@H+](CC(=O)[O-])C2CCCCC2)c1[O-] ZINC001589268723 985957711 /nfs/dbraw/zinc/95/77/11/985957711.db2.gz XUUYKMXVKZASKK-UHFFFAOYSA-N -1 1 339.819 3.468 20 10 EGCDMM CC(=O)c1cc(Cl)cc(C[N@@H+](CC(=O)[O-])C2CCCCC2)c1[O-] ZINC001589268723 985957733 /nfs/dbraw/zinc/95/77/33/985957733.db2.gz XUUYKMXVKZASKK-UHFFFAOYSA-N -1 1 339.819 3.468 20 10 EGCDMM CN(Cc1ccc(N2CCCC2)cc1)Cc1ccc(C(=O)[O-])cn1 ZINC001598519451 992660859 /nfs/dbraw/zinc/66/08/59/992660859.db2.gz QZFZCXLIKLZAQA-UHFFFAOYSA-N -1 1 325.412 3.012 20 10 EGCDMM CC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2O)cc1 ZINC000109769968 454835383 /nfs/dbraw/zinc/83/53/83/454835383.db2.gz CYLLBEOBHVQFQU-ZDUSSCGKSA-N -1 1 326.396 3.054 20 10 EGCDMM CC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2O)c1 ZINC000109770204 454836193 /nfs/dbraw/zinc/83/61/93/454836193.db2.gz KMHUKDBNJTXQQF-ZDUSSCGKSA-N -1 1 326.396 3.054 20 10 EGCDMM COc1ccc2c(c1)C(=O)N(C1CC1)[C@H](c1cccc(F)c1[O-])N2 ZINC000272219438 455881007 /nfs/dbraw/zinc/88/10/07/455881007.db2.gz PIITUWQWFNBUKK-QGZVFWFLSA-N -1 1 328.343 3.269 20 10 EGCDMM CCc1ccc([C@H](COC)N[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])o1 ZINC000273557784 456239293 /nfs/dbraw/zinc/23/92/93/456239293.db2.gz HHRMDFQHBOYHHN-NHYWBVRUSA-N -1 1 334.372 3.494 20 10 EGCDMM Cc1c2ccccc2n(C)c1CN=c1[n-]ncn1Cc1ccccc1 ZINC000568613582 459317124 /nfs/dbraw/zinc/31/71/24/459317124.db2.gz GZVMSDFEXMVBPF-UHFFFAOYSA-N -1 1 331.423 3.161 20 10 EGCDMM CC(=O)c1cc(Cl)cc(C[N@@H+]2CCCC[C@H]2CC(=O)[O-])c1[O-] ZINC000825946630 601389792 /nfs/dbraw/zinc/38/97/92/601389792.db2.gz ICGBZQYXFXXAGH-ZDUSSCGKSA-N -1 1 325.792 3.077 20 10 EGCDMM CC(=O)c1cc(Cl)cc(C[N@H+]2CCCC[C@H]2CC(=O)[O-])c1[O-] ZINC000825946630 601389793 /nfs/dbraw/zinc/38/97/93/601389793.db2.gz ICGBZQYXFXXAGH-ZDUSSCGKSA-N -1 1 325.792 3.077 20 10 EGCDMM Cc1occc1-c1nnc(SCC(=O)c2ccc([O-])c(O)c2)o1 ZINC000007194612 1291065033 /nfs/dbraw/zinc/06/50/33/1291065033.db2.gz QZLMCUAPDRKDOK-UHFFFAOYSA-N -1 1 332.337 3.024 20 10 EGCDMM CN1C(=O)c2ccccc2N[C@@H]1c1cccc(Br)c1[O-] ZINC000048622124 1291614340 /nfs/dbraw/zinc/61/43/40/1291614340.db2.gz KCGPFYXSEVGAEB-AWEZNQCLSA-N -1 1 333.185 3.351 20 10 EGCDMM COc1ccc(-c2ccncc2)cc1C=C1SC(=S)[N-]C1=O ZINC000588507185 1298075249 /nfs/dbraw/zinc/07/52/49/1298075249.db2.gz WABSOVHBXWDDSA-NTEUORMPSA-N -1 1 328.418 3.246 20 10 EGCDMM Cc1ccc2c(c1)N[C@H](c1cccc(Br)c1[O-])NC2=O ZINC000877865066 1299616460 /nfs/dbraw/zinc/61/64/60/1299616460.db2.gz WYNHGRCDNKXTHN-AWEZNQCLSA-N -1 1 333.185 3.317 20 10 EGCDMM CSCC[C@@H](C)NC(=O)NCc1cccc(Br)c1[O-] ZINC000764782652 1302135213 /nfs/dbraw/zinc/13/52/13/1302135213.db2.gz GUVSDNFIYKBKKF-SECBINFHSA-N -1 1 347.278 3.096 20 10 EGCDMM CCC(CC)CNC(=O)NCc1cccc(Br)c1[O-] ZINC000764780469 1302135563 /nfs/dbraw/zinc/13/55/63/1302135563.db2.gz QUZMTPFUBKYWCD-UHFFFAOYSA-N -1 1 329.238 3.390 20 10 EGCDMM CC(C)n1cccc1C(=O)NCc1cccc(Br)c1[O-] ZINC000765750403 1302318490 /nfs/dbraw/zinc/31/84/90/1302318490.db2.gz FUXZGXVQRWUXIW-UHFFFAOYSA-N -1 1 337.217 3.467 20 10 EGCDMM COc1ccccc1CN(CCO)Cc1cc(Cl)cc(F)c1[O-] ZINC000775656821 1304006751 /nfs/dbraw/zinc/00/67/51/1304006751.db2.gz NNFKLHPVLYBRRU-UHFFFAOYSA-N -1 1 339.794 3.188 20 10 EGCDMM O=C1c2ccccc2N[C@H](c2cccc(F)c2[O-])N1C[C@H]1CCCO1 ZINC000778520272 1304458094 /nfs/dbraw/zinc/45/80/94/1304458094.db2.gz RJSRWFHKAHALLH-XIKOKIGWSA-N -1 1 342.370 3.277 20 10 EGCDMM Cc1c2cccc(F)c2oc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000782525220 1304986005 /nfs/dbraw/zinc/98/60/05/1304986005.db2.gz AAADFYPISBCTSQ-UHFFFAOYSA-N -1 1 344.294 3.331 20 10 EGCDMM O=C(COC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1)c1ccc([O-])c(O)c1 ZINC000783300380 1305078699 /nfs/dbraw/zinc/07/86/99/1305078699.db2.gz CDZVOFNXTRZKIW-ZIAGYGMSSA-N -1 1 346.766 3.281 20 10 EGCDMM Cc1cc2c(ncnc2SCC(=O)c2ccc([O-])c(O)c2)s1 ZINC000783409035 1305089237 /nfs/dbraw/zinc/08/92/37/1305089237.db2.gz JGMBZKSOZUARMM-UHFFFAOYSA-N -1 1 332.406 3.386 20 10 EGCDMM O=C(COC(=O)c1ccc(OC2CCC2)cc1)c1ccc([O-])c(O)c1 ZINC000783938381 1305165578 /nfs/dbraw/zinc/16/55/78/1305165578.db2.gz LKGPPNNWZFVZOK-UHFFFAOYSA-N -1 1 342.347 3.069 20 10 EGCDMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2SC)cc1 ZINC000792703000 1309212084 /nfs/dbraw/zinc/21/20/84/1309212084.db2.gz MTLLNAZLVGAFCH-UHFFFAOYSA-N -1 1 339.438 3.314 20 10 EGCDMM CCOC(=O)c1cccc(SCC(=O)c2ccc([O-])c(O)c2)c1 ZINC000794449724 1309528031 /nfs/dbraw/zinc/52/80/31/1309528031.db2.gz ZDTWUEDQSBXTQH-UHFFFAOYSA-N -1 1 332.377 3.250 20 10 EGCDMM COc1cc([N-]S(=O)(=O)c2cccc(Cl)c2C)ccc1O ZINC000797820048 1310251626 /nfs/dbraw/zinc/25/16/26/1310251626.db2.gz DAWCNRUTTSXLDT-UHFFFAOYSA-N -1 1 327.789 3.163 20 10 EGCDMM CCc1ccc2occ(C(=O)OCC(=O)c3ccc([O-])c(O)c3)c2c1 ZINC000803820057 1317169518 /nfs/dbraw/zinc/16/95/18/1317169518.db2.gz GJPUWCCQFCGMGV-UHFFFAOYSA-N -1 1 340.331 3.446 20 10 EGCDMM O=C([O-])[C@@H]1CCC[C@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000911746504 1318764931 /nfs/dbraw/zinc/76/49/31/1318764931.db2.gz YHMMONXCNSUOBY-DTWKUNHWSA-N -1 1 346.210 3.206 20 10 EGCDMM O=C(COC(=O)C1(c2ccc(Cl)cc2)CC1)c1ccc([O-])c(O)c1 ZINC000916590715 1319679642 /nfs/dbraw/zinc/67/96/42/1319679642.db2.gz IWIKMCBEVFQUOE-UHFFFAOYSA-N -1 1 346.766 3.209 20 10 EGCDMM O=C(c1c([O-])c(O)ccc1F)N1CCC(c2cccc(F)c2)CC1 ZINC000826671147 1320396742 /nfs/dbraw/zinc/39/67/42/1320396742.db2.gz GTMWZUFPIHYRKZ-UHFFFAOYSA-N -1 1 333.334 3.396 20 10 EGCDMM O=S(=O)(Nc1cc(F)c([O-])cc1F)c1ccc(C2CC2)cc1 ZINC001190507808 1367281287 /nfs/dbraw/zinc/28/12/87/1367281287.db2.gz YRBCKDGJWPMFQN-UHFFFAOYSA-N -1 1 325.336 3.349 20 10 EGCDMM Cc1cc(Cl)ncc1S(=O)(=O)[N-]c1ccc(O)c(C)c1C ZINC001192357620 1367762314 /nfs/dbraw/zinc/76/23/14/1367762314.db2.gz DHWPXKNYXDIYET-UHFFFAOYSA-N -1 1 326.805 3.167 20 10 EGCDMM O=C(Nc1cc(Cl)nnc1Cl)c1ccc(O)c([O-])c1Cl ZINC001193209943 1367967014 /nfs/dbraw/zinc/96/70/14/1367967014.db2.gz RMHNQEUJMYEJNQ-UHFFFAOYSA-N -1 1 334.546 3.100 20 10 EGCDMM O=C(Nc1nc(C(F)(F)F)cs1)c1ccc(O)c([O-])c1Cl ZINC001193209401 1367967393 /nfs/dbraw/zinc/96/73/93/1367967393.db2.gz JULIZABWMGGABJ-UHFFFAOYSA-N -1 1 338.694 3.479 20 10 EGCDMM O=C(NCc1cccc2ncccc12)c1ccc(O)c([O-])c1Cl ZINC001193237191 1367975644 /nfs/dbraw/zinc/97/56/44/1367975644.db2.gz ZXIQJQGRZGRJKX-UHFFFAOYSA-N -1 1 328.755 3.229 20 10 EGCDMM O=S(=O)(Nc1ccc([O-])c(F)c1F)c1ccc2occc2c1 ZINC001198854510 1369129972 /nfs/dbraw/zinc/12/99/72/1369129972.db2.gz DQTIVZIGAVFMKP-UHFFFAOYSA-N -1 1 325.292 3.217 20 10 EGCDMM O=C1c2ccccc2C(=O)c2c1ccc([O-])c2OC[C@H]1CCC=CO1 ZINC001227580118 1375446465 /nfs/dbraw/zinc/44/64/65/1375446465.db2.gz GVZYWOBIFULNKS-GFCCVEGCSA-N -1 1 336.343 3.239 20 10 EGCDMM [O-]c1cc(O)c(CN2[C@H](CO)CCC[C@H]2C(F)(F)F)cc1Cl ZINC001232259888 1376425901 /nfs/dbraw/zinc/42/59/01/1376425901.db2.gz MSXAIEQUFIFFMY-ZANVPECISA-N -1 1 339.741 3.029 20 10 EGCDMM COC(=O)c1ccc(C2CN(Cc3ccc(F)c(F)c3[O-])C2)cc1 ZINC001233078995 1376565623 /nfs/dbraw/zinc/56/56/23/1376565623.db2.gz RNGLHTFZQAPMDX-UHFFFAOYSA-N -1 1 333.334 3.056 20 10 EGCDMM COC(=O)c1cccc2c1CN(Cc1c([O-])ccc(F)c1F)CC2 ZINC001233335910 1376618166 /nfs/dbraw/zinc/61/81/66/1376618166.db2.gz QSIMZOFJYBIHKE-UHFFFAOYSA-N -1 1 333.334 3.015 20 10 EGCDMM [O-]c1c(CN2CC(F)(F)CC[C@@H]2CO)cccc1C(F)(F)F ZINC001233416059 1376641714 /nfs/dbraw/zinc/64/17/14/1376641714.db2.gz UYRRIVBCFNDDMO-SNVBAGLBSA-N -1 1 325.277 3.003 20 10 EGCDMM Cc1ccc(CN2CCN(Cc3c(F)ccc(F)c3[O-])CC2)cc1 ZINC001139684497 1377933823 /nfs/dbraw/zinc/93/38/23/1377933823.db2.gz XALMGUSACNTUIK-UHFFFAOYSA-N -1 1 332.394 3.297 20 10 EGCDMM [O-]c1c(F)ccc(F)c1CN1CCN(C2(c3ccccc3)CC2)CC1 ZINC001139687535 1377934475 /nfs/dbraw/zinc/93/44/75/1377934475.db2.gz ONHUWIRAEUOYHB-UHFFFAOYSA-N -1 1 344.405 3.477 20 10 EGCDMM CC(C)(C)CC(=O)NC1CCN(Cc2c([O-])cc(F)cc2F)CC1 ZINC001140585234 1378090310 /nfs/dbraw/zinc/09/03/10/1378090310.db2.gz AMGMUYRESFSNMG-UHFFFAOYSA-N -1 1 340.414 3.187 20 10 EGCDMM COc1ccc(N2CCN(Cc3ccc([O-])c(F)c3F)CC2)cc1 ZINC001140890239 1378170467 /nfs/dbraw/zinc/17/04/67/1378170467.db2.gz ZTFKWYKDRRKLQK-UHFFFAOYSA-N -1 1 334.366 3.001 20 10 EGCDMM COc1ccc(N2CCN(Cc3c(F)cc([O-])cc3F)CC2)c(C)c1 ZINC001144560924 1378744143 /nfs/dbraw/zinc/74/41/43/1378744143.db2.gz CICGRZAKZYFQEU-UHFFFAOYSA-N -1 1 348.393 3.310 20 10 EGCDMM Cc1ccc(C)c(-c2ccc(NCC(=O)c3ccc([O-])c(O)c3)nn2)c1 ZINC001159280146 1381749705 /nfs/dbraw/zinc/74/97/05/1381749705.db2.gz BXEBRFOACJAYLD-UHFFFAOYSA-N -1 1 349.390 3.466 20 10 EGCDMM Cc1csc2nc(C)nc(NCC(=O)c3ccc([O-])c(O)c3)c12 ZINC001159280246 1381749886 /nfs/dbraw/zinc/74/98/86/1381749886.db2.gz HWHDNVSFXLWGJN-UHFFFAOYSA-N -1 1 329.381 3.014 20 10 EGCDMM Nc1ccccc1S(=O)(=O)[N-]c1cccc(N2CCCCC2)c1 ZINC001174304727 1385095542 /nfs/dbraw/zinc/09/55/42/1385095542.db2.gz ORIAGGWKYHKILR-UHFFFAOYSA-N -1 1 331.441 3.060 20 10 EGCDMM O=C(NCc1cccc(Br)c1[O-])N[C@H]1C=CCCC1 ZINC001320789345 1386718848 /nfs/dbraw/zinc/71/88/48/1386718848.db2.gz CVZGEIHSMRNBLL-NSHDSACASA-N -1 1 325.206 3.063 20 10 EGCDMM CN(C)c1ccc(CNCc2ccc(C(=O)[O-])c(C3CC3)n2)cc1 ZINC000841818277 979313867 /nfs/dbraw/zinc/31/38/67/979313867.db2.gz VFVZQYORMPRWOM-UHFFFAOYSA-N -1 1 325.412 3.013 20 10 EGCDMM O=C([O-])CC[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])C1CCOCC1 ZINC000843040627 979330990 /nfs/dbraw/zinc/33/09/90/979330990.db2.gz KUDODUNZKNEEAE-UHFFFAOYSA-N -1 1 348.226 3.155 20 10 EGCDMM CCOCCC[N@H+](Cc1cc(Cl)c(F)cc1[O-])C[C@@H](C)C(=O)[O-] ZINC001596914823 985935539 /nfs/dbraw/zinc/93/55/39/985935539.db2.gz LEKQKOIQIHDQFC-LLVKDONJSA-N -1 1 347.814 3.134 20 10 EGCDMM CN(C)c1ccc(CN2CCc3ccc(C(=O)[O-])cc3C2)cc1F ZINC001598317360 991302791 /nfs/dbraw/zinc/30/27/91/991302791.db2.gz DDULALYGJXLQSD-UHFFFAOYSA-N -1 1 328.387 3.148 20 10 EGCDMM O=S(=O)([N-]c1cccc(Cl)c1F)c1cccc2nsnc21 ZINC000019110010 211999509 /nfs/dbraw/zinc/99/95/09/211999509.db2.gz WMUJDIGUOVZMCL-UHFFFAOYSA-N -1 1 343.792 3.285 20 10 EGCDMM C[C@@H](C(=O)NCc1ccc(Cl)cc1)N(C)Cc1ccccc1O ZINC000109772122 454835113 /nfs/dbraw/zinc/83/51/13/454835113.db2.gz UEZAYZBAKJSCCL-ZDUSSCGKSA-N -1 1 332.831 3.182 20 10 EGCDMM CC(C)n1cc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cn1 ZINC000179570616 455060100 /nfs/dbraw/zinc/06/01/00/455060100.db2.gz OEQLHCASNRMUCN-SFHVURJKSA-N -1 1 329.444 3.351 20 10 EGCDMM O=C(c1c(F)ccc(O)c1[O-])N1CCC(COc2ccccc2)CC1 ZINC000276612328 456531701 /nfs/dbraw/zinc/53/17/01/456531701.db2.gz PRRQXOOFESOVKP-UHFFFAOYSA-N -1 1 345.370 3.168 20 10 EGCDMM CC[C@H](C)c1nnc([C@H](C)N[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])[nH]1 ZINC000277231088 456735784 /nfs/dbraw/zinc/73/57/84/456735784.db2.gz MFEWRFDVBTYKLU-DCAQKATOSA-N -1 1 333.392 3.344 20 10 EGCDMM COC(=O)c1cc2ccccc2c(C[N@H+](CCC(=O)[O-])C(C)C)c1[O-] ZINC000737676996 574534272 /nfs/dbraw/zinc/53/42/72/574534272.db2.gz GPJVUYMDAZCBHP-UHFFFAOYSA-N -1 1 345.395 3.017 20 10 EGCDMM COC(=O)c1cc2ccccc2c(C[N@@H+](CCC(=O)[O-])C(C)C)c1[O-] ZINC000737676996 574534273 /nfs/dbraw/zinc/53/42/73/574534273.db2.gz GPJVUYMDAZCBHP-UHFFFAOYSA-N -1 1 345.395 3.017 20 10 EGCDMM CN(C)c1cccc(C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])c1 ZINC000830643062 601006267 /nfs/dbraw/zinc/00/62/67/601006267.db2.gz BKQFKPFEPAFCQP-UHFFFAOYSA-N -1 1 348.830 3.198 20 10 EGCDMM CN(C)c1cccc(C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])c1 ZINC000830643062 601006271 /nfs/dbraw/zinc/00/62/71/601006271.db2.gz BKQFKPFEPAFCQP-UHFFFAOYSA-N -1 1 348.830 3.198 20 10 EGCDMM CC(=O)c1cc(Cl)cc(C[N@@H+](CC(=O)[O-])Cc2ccccc2)c1O ZINC000825946824 601413028 /nfs/dbraw/zinc/41/30/28/601413028.db2.gz RUPWPLCJVAOVFT-UHFFFAOYSA-N -1 1 347.798 3.335 20 10 EGCDMM CC(=O)c1cc(Cl)cc(C[N@H+](CC(=O)[O-])Cc2ccccc2)c1[O-] ZINC000825946824 601413029 /nfs/dbraw/zinc/41/30/29/601413029.db2.gz RUPWPLCJVAOVFT-UHFFFAOYSA-N -1 1 347.798 3.335 20 10 EGCDMM CC(=O)c1cc(Cl)cc(C[N@@H+](CC(=O)[O-])Cc2ccccc2)c1[O-] ZINC000825946824 601413030 /nfs/dbraw/zinc/41/30/30/601413030.db2.gz RUPWPLCJVAOVFT-UHFFFAOYSA-N -1 1 347.798 3.335 20 10 EGCDMM CC(C)OC[C@H](C(=O)[O-])[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000833505755 604768353 /nfs/dbraw/zinc/76/83/53/604768353.db2.gz NJEPTEDMFHWMIH-GFCCVEGCSA-N -1 1 336.215 3.009 20 10 EGCDMM CN(C)c1ccc(C=C2SC(=S)[N-]C2=O)c(C(F)(F)F)c1 ZINC000794864812 1309611553 /nfs/dbraw/zinc/61/15/53/1309611553.db2.gz FLDQVWXZCVMOCK-BJMVGYQFSA-N -1 1 332.372 3.260 20 10 EGCDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000189431002 1295522658 /nfs/dbraw/zinc/52/26/58/1295522658.db2.gz PAYAVSCRFOAATP-UHFFFAOYSA-N -1 1 331.315 3.173 20 10 EGCDMM Cc1ccc2c(c1)N[C@@H](c1cccc(Br)c1[O-])NC2=O ZINC000877865067 1299616271 /nfs/dbraw/zinc/61/62/71/1299616271.db2.gz WYNHGRCDNKXTHN-CQSZACIVSA-N -1 1 333.185 3.317 20 10 EGCDMM O=C(NCCC1CCC1)NCc1cccc(Br)c1[O-] ZINC000764797816 1302137584 /nfs/dbraw/zinc/13/75/84/1302137584.db2.gz NHSLRBIJBOYLKT-UHFFFAOYSA-N -1 1 327.222 3.144 20 10 EGCDMM O=C(NCc1cccc(Br)c1[O-])c1ccc2c(c1)COC2 ZINC000765747027 1302316994 /nfs/dbraw/zinc/31/69/94/1302316994.db2.gz JZVPFIPKQOIPCJ-UHFFFAOYSA-N -1 1 348.196 3.115 20 10 EGCDMM O=C(NCc1cccc(Br)c1[O-])[C@H]1Cc2ccccc21 ZINC000765750828 1302318411 /nfs/dbraw/zinc/31/84/11/1302318411.db2.gz LQBZGNBCFXDZDT-ZDUSSCGKSA-N -1 1 332.197 3.111 20 10 EGCDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1CCCCS1 ZINC000765765239 1302320606 /nfs/dbraw/zinc/32/06/06/1302320606.db2.gz QFNCWLDVBFFHFW-NSHDSACASA-N -1 1 330.247 3.057 20 10 EGCDMM CC[C@H](C)Oc1ccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC000784017163 1305177215 /nfs/dbraw/zinc/17/72/15/1305177215.db2.gz JFYMKNHJYPWKHO-LBPRGKRZSA-N -1 1 344.363 3.315 20 10 EGCDMM CC(C)(C)c1ccc(CC(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC000784213308 1305208669 /nfs/dbraw/zinc/20/86/69/1305208669.db2.gz FHWIMWKZFFGSSO-UHFFFAOYSA-N -1 1 342.391 3.364 20 10 EGCDMM CC[C@H](C(=O)OCC(=O)c1ccc([O-])c(O)c1)c1ccc(OC)cc1 ZINC000784564091 1305258773 /nfs/dbraw/zinc/25/87/73/1305258773.db2.gz UMAMGFWMIWVNOT-HNNXBMFYSA-N -1 1 344.363 3.026 20 10 EGCDMM C[C@@H](CNC(=O)c1c([O-])c(O)ccc1F)Oc1ccc(Cl)cc1 ZINC000789985304 1306242638 /nfs/dbraw/zinc/24/26/38/1306242638.db2.gz DITLTNZCPHNRSA-VIFPVBQESA-N -1 1 339.750 3.088 20 10 EGCDMM CN1C(=O)COc2cc(NCc3c([O-])ccc(Cl)c3F)ccc21 ZINC000798503071 1310373576 /nfs/dbraw/zinc/37/35/76/1310373576.db2.gz BNDZKOZWWMIJLV-UHFFFAOYSA-N -1 1 336.750 3.152 20 10 EGCDMM O=C(NC[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1c(F)ccc(O)c1[O-] ZINC000826763168 1320402409 /nfs/dbraw/zinc/40/24/09/1320402409.db2.gz CUYIDVYOBFGYCL-RKDXNWHRSA-N -1 1 335.297 3.335 20 10 EGCDMM CC(=O)c1cc(Cl)cc(CN(C)Cc2noc(C3CC3)n2)c1[O-] ZINC000839670139 1320957101 /nfs/dbraw/zinc/95/71/01/1320957101.db2.gz FMRICONGGAYKQM-UHFFFAOYSA-N -1 1 335.791 3.141 20 10 EGCDMM CC1CC(CNC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000856905130 1325539855 /nfs/dbraw/zinc/53/98/55/1325539855.db2.gz XOOPVZIKMDWIPG-UHFFFAOYSA-N -1 1 327.222 3.000 20 10 EGCDMM COc1nc(Cl)ccc1NC(=O)c1ccc(O)c([O-])c1Cl ZINC001193219352 1367970174 /nfs/dbraw/zinc/97/01/74/1367970174.db2.gz GIIABRIPFGTFPA-UHFFFAOYSA-N -1 1 329.139 3.061 20 10 EGCDMM O=C(NCc1cc(C(F)(F)F)ccn1)c1ccc(O)c([O-])c1Cl ZINC001193236836 1367975588 /nfs/dbraw/zinc/97/55/88/1367975588.db2.gz RMRSTYNXRKYLLZ-UHFFFAOYSA-N -1 1 346.692 3.095 20 10 EGCDMM COc1cccc(N2CCN(Cc3ccc(F)c(F)c3[O-])CC2)c1 ZINC001233074116 1376562607 /nfs/dbraw/zinc/56/26/07/1376562607.db2.gz HRPPUAXAUUWTSO-UHFFFAOYSA-N -1 1 334.366 3.001 20 10 EGCDMM C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN1Cc1ccc(F)c(F)c1[O-] ZINC001233080253 1376566477 /nfs/dbraw/zinc/56/64/77/1376566477.db2.gz UEEPDHKQRBCYAS-PWSUYJOCSA-N -1 1 342.386 3.158 20 10 EGCDMM [O-]c1ccc(F)c(F)c1CN1CCN(c2ncccc2Cl)CC1 ZINC001233335116 1376618529 /nfs/dbraw/zinc/61/85/29/1376618529.db2.gz HRRYSKDFCQXFBB-UHFFFAOYSA-N -1 1 339.773 3.041 20 10 EGCDMM CC(=O)c1ccc(N2CCN(Cc3c([O-])cccc3F)CC2)cc1 ZINC001137839004 1377626770 /nfs/dbraw/zinc/62/67/70/1377626770.db2.gz NNUTWUNKKPNJLA-UHFFFAOYSA-N -1 1 328.387 3.056 20 10 EGCDMM O=C(c1ccccc1Cl)N1CCN(Cc2cccc(F)c2[O-])CC1 ZINC001138128478 1377681553 /nfs/dbraw/zinc/68/15/53/1377681553.db2.gz MPNKRJVQYMPNOY-UHFFFAOYSA-N -1 1 348.805 3.143 20 10 EGCDMM C[C@](O)(C1CCN(Cc2c([O-])c(F)ccc2F)CC1)C(F)(F)F ZINC001139686123 1377934312 /nfs/dbraw/zinc/93/43/12/1377934312.db2.gz NZYALQZKBZIXGY-AWEZNQCLSA-N -1 1 339.304 3.196 20 10 EGCDMM CC(=O)c1ccc(N2CCN(Cc3cc(F)c(F)cc3[O-])CC2)cc1 ZINC001142524818 1378453632 /nfs/dbraw/zinc/45/36/32/1378453632.db2.gz LYXVCRRJXARTEG-UHFFFAOYSA-N -1 1 346.377 3.195 20 10 EGCDMM CCC1(NC(=O)OC(C)(C)C)CN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001142530540 1378454635 /nfs/dbraw/zinc/45/46/35/1378454635.db2.gz IQPAGAOMCSZZKT-UHFFFAOYSA-N -1 1 342.386 3.160 20 10 EGCDMM [O-]c1cc(F)c(Br)cc1CN1CCC[C@]2(CCO2)C1 ZINC001144306500 1378713792 /nfs/dbraw/zinc/71/37/92/1378713792.db2.gz DQXQNGVHYZMLFH-AWEZNQCLSA-N -1 1 330.197 3.049 20 10 EGCDMM CCOC(OCC)c1cccc(NCC(=O)c2ccc([O-])c(O)c2)c1 ZINC001170314585 1384289178 /nfs/dbraw/zinc/28/91/78/1384289178.db2.gz FWECKALIPREXQC-UHFFFAOYSA-N -1 1 345.395 3.464 20 10 EGCDMM Cc1ccccc1-c1ccc(NCC(=O)c2ccc([O-])c(O)c2)nn1 ZINC001170315929 1384289310 /nfs/dbraw/zinc/28/93/10/1384289310.db2.gz KALBXVMISLALES-UHFFFAOYSA-N -1 1 335.363 3.158 20 10 EGCDMM Cc1ccccc1N=Nc1ccc(NC(=O)Cc2nn[n-]n2)c(C)c1 ZINC001176845367 1385722098 /nfs/dbraw/zinc/72/20/98/1385722098.db2.gz SUQCAUDXVFVAMJ-FMQUCBEESA-N -1 1 335.371 3.413 20 10 EGCDMM C[C@]1(C(=O)[O-])CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC001603306907 972587325 /nfs/dbraw/zinc/58/73/25/972587325.db2.gz NWAWVCFSAMBUAX-FQEVSTJZSA-N -1 1 341.407 3.268 20 10 EGCDMM CN(C)c1ccc(/C=C\C[N@@H+]2Cc3ccccc3[C@@H](C(=O)[O-])C2)cc1 ZINC000901628611 980411797 /nfs/dbraw/zinc/41/17/97/980411797.db2.gz RNQCEUXBBLHGGD-PRPIBZDOSA-N -1 1 336.435 3.450 20 10 EGCDMM CN(C)c1ccc(/C=C\CN2Cc3ccccc3[C@@H](C(=O)[O-])C2)cc1 ZINC000901628611 980411802 /nfs/dbraw/zinc/41/18/02/980411802.db2.gz RNQCEUXBBLHGGD-PRPIBZDOSA-N -1 1 336.435 3.450 20 10 EGCDMM CC(=O)c1cc(Cl)cc(CN2CCOC[C@H]2c2cccn2C)c1[O-] ZINC000131741007 454282513 /nfs/dbraw/zinc/28/25/13/454282513.db2.gz JTLBWDGQBUYDNB-KRWDZBQOSA-N -1 1 348.830 3.160 20 10 EGCDMM CC[C@]1(CO)CCC[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000190215367 455288760 /nfs/dbraw/zinc/28/87/60/455288760.db2.gz NYZCGEASEDOEIN-HNNXBMFYSA-N -1 1 328.250 3.139 20 10 EGCDMM COc1ccc(-c2ccncc2)cc1C=C1SC(=S)[N-]C1=O ZINC000186853375 455844439 /nfs/dbraw/zinc/84/44/39/455844439.db2.gz WABSOVHBXWDDSA-ZROIWOOFSA-N -1 1 328.418 3.246 20 10 EGCDMM O=C(NC[C@H]1CCCC[C@H]1C(F)(F)F)c1c(F)ccc(O)c1[O-] ZINC000295544846 455852418 /nfs/dbraw/zinc/85/24/18/455852418.db2.gz RQCLHRYPGSNVIT-RKDXNWHRSA-N -1 1 335.297 3.335 20 10 EGCDMM CC(C)[C@@H](NCc1cc(Cl)cc(Cl)c1[O-])c1nncn1C ZINC000285582199 455874633 /nfs/dbraw/zinc/87/46/33/455874633.db2.gz UAPVZNDJUYJHPA-GFCCVEGCSA-N -1 1 329.231 3.314 20 10 EGCDMM CC(=O)c1cc(Cl)cc(CN2CC3CC2(c2nc(C)no2)C3)c1[O-] ZINC000528632491 459811265 /nfs/dbraw/zinc/81/12/65/459811265.db2.gz ZDSFQUMDDXVKAD-UHFFFAOYSA-N -1 1 347.802 3.061 20 10 EGCDMM CCC[N@@H+](CCOc1cccc(C(=O)[O-])c1)Cc1ccccc1O ZINC000737019290 576082212 /nfs/dbraw/zinc/08/22/12/576082212.db2.gz CCQSOPOIDLRZTA-UHFFFAOYSA-N -1 1 329.396 3.381 20 10 EGCDMM O=C([O-])[C@]1(F)CC[N@H+](Cc2cc3oc4ccccc4c3cc2[O-])C1 ZINC000833175983 601372880 /nfs/dbraw/zinc/37/28/80/601372880.db2.gz VEJVTKPMABGWTR-SFHVURJKSA-N -1 1 329.327 3.290 20 10 EGCDMM O=C([O-])[C@]1(F)CC[N@@H+](Cc2cc3oc4ccccc4c3cc2[O-])C1 ZINC000833175983 601372882 /nfs/dbraw/zinc/37/28/82/601372882.db2.gz VEJVTKPMABGWTR-SFHVURJKSA-N -1 1 329.327 3.290 20 10 EGCDMM O=S(=O)([N-]Cc1ccccc1O)c1cc(Cl)sc1Cl ZINC000158578528 1294208135 /nfs/dbraw/zinc/20/81/35/1294208135.db2.gz LQBWVECDQQISPS-UHFFFAOYSA-N -1 1 338.237 3.239 20 10 EGCDMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(O)cc2CC)c1 ZINC000189433756 1295523093 /nfs/dbraw/zinc/52/30/93/1295523093.db2.gz YVCRUYZVBCMECX-UHFFFAOYSA-N -1 1 333.409 3.348 20 10 EGCDMM Cc1nnc(CNCc2cc(Cl)cc(Br)c2[O-])s1 ZINC000708172331 1298237339 /nfs/dbraw/zinc/23/73/39/1298237339.db2.gz PPICPEYOJGBGDU-UHFFFAOYSA-N -1 1 348.653 3.258 20 10 EGCDMM CCc1cccc(CC)c1NC(=S)NN=c1nc(OC)cc(C)[n-]1 ZINC000747653510 1298816472 /nfs/dbraw/zinc/81/64/72/1298816472.db2.gz CRBNQDYRNMJHGS-UHFFFAOYSA-N -1 1 345.472 3.232 20 10 EGCDMM O=C1N[C@@H](c2cc(Cl)cc(F)c2[O-])Nc2cc(F)c(F)cc21 ZINC000877857836 1299611767 /nfs/dbraw/zinc/61/17/67/1299611767.db2.gz BCOWUAADJXKFNE-ZDUSSCGKSA-N -1 1 328.677 3.317 20 10 EGCDMM C[C@@H](NCc1ccn(-c2ccccc2)n1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756491718 1300506157 /nfs/dbraw/zinc/50/61/57/1300506157.db2.gz YDWVMAYRUBGBKZ-CYBMUJFWSA-N -1 1 338.367 3.337 20 10 EGCDMM CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C)c(Cl)c1 ZINC000758782793 1300955153 /nfs/dbraw/zinc/95/51/53/1300955153.db2.gz YQQFQWCIKNBXAS-UHFFFAOYSA-N -1 1 339.800 3.357 20 10 EGCDMM Cc1cccc(CNC(=O)NCc2cccc(Br)c2[O-])c1 ZINC000764762336 1302129644 /nfs/dbraw/zinc/12/96/44/1302129644.db2.gz QKKYPOBEAWCIHY-UHFFFAOYSA-N -1 1 349.228 3.463 20 10 EGCDMM Cc1ccc(NC(=O)NCc2cccc(Br)c2[O-])cn1 ZINC000765317714 1302245879 /nfs/dbraw/zinc/24/58/79/1302245879.db2.gz ZGCLKYBSMPKRPT-UHFFFAOYSA-N -1 1 336.189 3.180 20 10 EGCDMM O=C(CC1CCSCC1)NCc1cccc(Br)c1[O-] ZINC000765746259 1302317472 /nfs/dbraw/zinc/31/74/72/1302317472.db2.gz FDOSVGSRZGAECF-UHFFFAOYSA-N -1 1 344.274 3.304 20 10 EGCDMM CC[C@@H](NCc1nnc2n1CCC2)c1ccc(Cl)c(Cl)c1[O-] ZINC000775492782 1303972953 /nfs/dbraw/zinc/97/29/53/1303972953.db2.gz RGDVIOKCINUHHI-LLVKDONJSA-N -1 1 341.242 3.478 20 10 EGCDMM COC(=O)[C@H]1CCCCCN1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000781343594 1304815095 /nfs/dbraw/zinc/81/50/95/1304815095.db2.gz COKCOHDHUJBYCF-OAHLLOKOSA-N -1 1 339.819 3.166 20 10 EGCDMM Cc1ccccc1C(C)(C)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783295839 1305077830 /nfs/dbraw/zinc/07/78/30/1305077830.db2.gz BROZCBLOIAQMMX-UHFFFAOYSA-N -1 1 328.364 3.110 20 10 EGCDMM [O-]c1c(F)cc(Cl)cc1CNCc1ncnn1-c1ccccc1 ZINC000787293581 1305728193 /nfs/dbraw/zinc/72/81/93/1305728193.db2.gz BYFGUGKTXIZEDF-UHFFFAOYSA-N -1 1 332.766 3.055 20 10 EGCDMM COc1ccc2cc(CNC(=O)c3c(F)ccc(O)c3[O-])ccc2c1 ZINC000789948719 1306236341 /nfs/dbraw/zinc/23/63/41/1306236341.db2.gz DCWXQKWAOIAAHC-UHFFFAOYSA-N -1 1 341.338 3.329 20 10 EGCDMM O=C(NCC1(c2cccc(Cl)c2)CC1)c1c(F)ccc(O)c1[O-] ZINC000789983870 1306242474 /nfs/dbraw/zinc/24/24/74/1306242474.db2.gz LRIOSEYUUCFMMV-UHFFFAOYSA-N -1 1 335.762 3.352 20 10 EGCDMM C[C@@H](Cc1nc2ccccc2s1)NC(=O)c1c(F)ccc(O)c1[O-] ZINC000789991340 1306244501 /nfs/dbraw/zinc/24/45/01/1306244501.db2.gz RYLXXPLZIAQRJV-VIFPVBQESA-N -1 1 346.383 3.208 20 10 EGCDMM CC(C)[C@H](CNC(=O)c1c(F)ccc(O)c1[O-])Nc1ccccc1 ZINC000790070183 1306257095 /nfs/dbraw/zinc/25/70/95/1306257095.db2.gz JQAVZEHFWXUXFL-AWEZNQCLSA-N -1 1 332.375 3.103 20 10 EGCDMM COc1c(NCc2cccc(Cl)c2[O-])cc(Cl)cc1C(N)=O ZINC000793653289 1309423245 /nfs/dbraw/zinc/42/32/45/1309423245.db2.gz ZKXWRIHCMPDCAA-UHFFFAOYSA-N -1 1 341.194 3.419 20 10 EGCDMM CS(=O)(=O)Cc1cccc(NCc2cc(Cl)c(F)cc2[O-])c1 ZINC000816525886 1319176467 /nfs/dbraw/zinc/17/64/67/1319176467.db2.gz MAQNBFUNIZXTPT-UHFFFAOYSA-N -1 1 343.807 3.341 20 10 EGCDMM Cc1c(C)n(C)c2ccc(OS(=O)(=O)c3cnc(C(C)C)[n-]3)cc12 ZINC000817152331 1319286116 /nfs/dbraw/zinc/28/61/16/1319286116.db2.gz ZFGNOXKKHKJMBJ-UHFFFAOYSA-N -1 1 347.440 3.409 20 10 EGCDMM Cc1c(C)n(C)c2ccc(OS(=O)(=O)c3c[n-]c(C(C)C)n3)cc12 ZINC000817152331 1319286122 /nfs/dbraw/zinc/28/61/22/1319286122.db2.gz ZFGNOXKKHKJMBJ-UHFFFAOYSA-N -1 1 347.440 3.409 20 10 EGCDMM CSc1ccc([O-])c(C(=O)Nc2cccc(N3CCOCC3)c2)c1 ZINC000822942053 1320139218 /nfs/dbraw/zinc/13/92/18/1320139218.db2.gz DJEDVFBWBJPFPW-UHFFFAOYSA-N -1 1 344.436 3.203 20 10 EGCDMM CC(C)(C)OC(=O)Cn1cc(NCc2cccc(Cl)c2[O-])cn1 ZINC000843412453 1321513753 /nfs/dbraw/zinc/51/37/53/1321513753.db2.gz PRJVTNFVSXFWQB-UHFFFAOYSA-N -1 1 337.807 3.196 20 10 EGCDMM COc1ccc(N(C)CCN(C)C(=O)c2c([O-])cccc2Cl)cc1 ZINC000846441653 1321786369 /nfs/dbraw/zinc/78/63/69/1321786369.db2.gz BYPKRNLMSBFBPQ-UHFFFAOYSA-N -1 1 348.830 3.263 20 10 EGCDMM CN(C)c1cc(F)c(CN[C@H](CC(=O)[O-])c2cccs2)cc1F ZINC000864508919 1329620103 /nfs/dbraw/zinc/62/01/03/1329620103.db2.gz DZBXPQFCPNRPKX-CYBMUJFWSA-N -1 1 340.395 3.398 20 10 EGCDMM [O-]c1c(Br)cc(Cl)cc1CN1CCCC[C@H](O)C1 ZINC001141367453 1378311146 /nfs/dbraw/zinc/31/11/46/1378311146.db2.gz ANHYESSTMYHJNE-NSHDSACASA-N -1 1 334.641 3.155 20 10 EGCDMM CCOc1ccc(C)cc1S(=O)(=O)Nc1cc(F)c([O-])cc1F ZINC001191829262 1367605952 /nfs/dbraw/zinc/60/59/52/1367605952.db2.gz ZMYRRFWFKPCYFX-UHFFFAOYSA-N -1 1 343.351 3.178 20 10 EGCDMM CCNc1ccnc(Cl)c1NC(=O)c1ccc(O)c([O-])c1Cl ZINC001193210440 1367966880 /nfs/dbraw/zinc/96/68/80/1367966880.db2.gz ZSOQDUZHKDSTON-UHFFFAOYSA-N -1 1 342.182 3.484 20 10 EGCDMM Cc1cc(NC(=O)c2ccc(O)c([O-])c2Cl)cnc1OC(C)C ZINC001193219967 1367970361 /nfs/dbraw/zinc/97/03/61/1367970361.db2.gz OIDAIQGHOVKWPF-UHFFFAOYSA-N -1 1 336.775 3.494 20 10 EGCDMM COc1ccc([C@H](C)NC(=O)c2ccc(O)c([O-])c2Cl)c(F)c1 ZINC001193236691 1367974867 /nfs/dbraw/zinc/97/48/67/1367974867.db2.gz NEDLCPLBXKJGSC-QMMMGPOBSA-N -1 1 339.750 3.390 20 10 EGCDMM CC(C)c1ccc(NC(=S)NCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC001198636593 1369078751 /nfs/dbraw/zinc/07/87/51/1369078751.db2.gz XSCLAPFLVAFAGW-UHFFFAOYSA-N -1 1 344.436 3.391 20 10 EGCDMM [O-]c1c(Cl)cc(Cl)cc1CN1CC(N2CCC(F)CC2)C1 ZINC001203580819 1370177874 /nfs/dbraw/zinc/17/78/74/1370177874.db2.gz VAXSYMYDMARCKC-UHFFFAOYSA-N -1 1 333.234 3.317 20 10 EGCDMM COc1ccc(C(=O)c2ccccc2[N-]S(=O)(=O)C2CCC2)cc1 ZINC001188138497 1388248458 /nfs/dbraw/zinc/24/84/58/1388248458.db2.gz CIDBUENSCNZOQQ-UHFFFAOYSA-N -1 1 345.420 3.220 20 10 EGCDMM COc1ccc(-c2noc(-c3ccc(O)c([O-])c3Cl)n2)cc1OC ZINC001216951295 1373370474 /nfs/dbraw/zinc/37/04/74/1373370474.db2.gz DGMSBINVYGEMMK-UHFFFAOYSA-N -1 1 348.742 3.485 20 10 EGCDMM C[C@H]1C[C@H](Oc2c([O-])ccc3c2C(=O)c2ccccc2C3=O)CCO1 ZINC001227576782 1375446399 /nfs/dbraw/zinc/44/63/99/1375446399.db2.gz FAFAVWYPZXTFLG-NWDGAFQWSA-N -1 1 338.359 3.114 20 10 EGCDMM Cc1ccnc(OC2CCN(Cc3ccc(F)c(F)c3[O-])CC2)c1 ZINC001233080106 1376566004 /nfs/dbraw/zinc/56/60/04/1376566004.db2.gz PTIWDVUQEKVQJO-UHFFFAOYSA-N -1 1 334.366 3.417 20 10 EGCDMM [O-]c1c(Cl)cc(F)cc1CN1CCC(Oc2cnccn2)CC1 ZINC001237804590 1376988464 /nfs/dbraw/zinc/98/84/64/1376988464.db2.gz FEPSKASUJOYWLG-UHFFFAOYSA-N -1 1 337.782 3.018 20 10 EGCDMM Cc1cc(=O)oc2c1ccc([O-])c2CN(C)Cc1ccc(Cl)nc1 ZINC001139132562 1377836093 /nfs/dbraw/zinc/83/60/93/1377836093.db2.gz WWFPPGQYHLBCSN-UHFFFAOYSA-N -1 1 344.798 3.487 20 10 EGCDMM CC(C)OCCN(CCOC(C)C)Cc1c(F)ccc(F)c1[O-] ZINC001139684471 1377933594 /nfs/dbraw/zinc/93/35/94/1377933594.db2.gz WBPWXJFEILEAMC-UHFFFAOYSA-N -1 1 331.403 3.322 20 10 EGCDMM C[C@@H]1C[C@@H](O)CCN1Cc1cc(Cl)cc(Br)c1[O-] ZINC001141373330 1378313593 /nfs/dbraw/zinc/31/35/93/1378313593.db2.gz YYUNDLXWBNTAGO-KCJUWKMLSA-N -1 1 334.641 3.153 20 10 EGCDMM COc1ccc(N2CCN(Cc3c(F)cc([O-])cc3F)CC2)cc1 ZINC001144542011 1378741768 /nfs/dbraw/zinc/74/17/68/1378741768.db2.gz OXYJHOJELKNHSW-UHFFFAOYSA-N -1 1 334.366 3.001 20 10 EGCDMM Cc1ccc(-c2ccc(NCC(=O)c3ccc([O-])c(O)c3)nn2)s1 ZINC001170315669 1384289440 /nfs/dbraw/zinc/28/94/40/1384289440.db2.gz FVZMRJFAOYOZCI-UHFFFAOYSA-N -1 1 341.392 3.220 20 10 EGCDMM COC(=O)c1cc(NCC(=O)c2ccc([O-])c(O)c2)cc(C(C)C)c1 ZINC001170320756 1384289807 /nfs/dbraw/zinc/28/98/07/1384289807.db2.gz MHKKNPPGZPWURY-UHFFFAOYSA-N -1 1 343.379 3.303 20 10 EGCDMM COc1cccc(C(F)(F)F)c1NCC(=O)c1ccc([O-])c(O)c1 ZINC001170322151 1384290450 /nfs/dbraw/zinc/29/04/50/1384290450.db2.gz FVSRMXUFNVCUOI-UHFFFAOYSA-N -1 1 341.285 3.420 20 10 EGCDMM Fc1ccc(NCc2ccc(N3CCCC3)cc2)c(-c2nnn[n-]2)c1 ZINC000822782820 1442187858 /nfs/dbraw/zinc/18/78/58/1442187858.db2.gz IDZDASFPUJNPOK-UHFFFAOYSA-N -1 1 338.390 3.218 20 10 EGCDMM COc1ccc(N(C)Cc2cccc(-c3nnn[n-]3)c2F)cc1Cl ZINC000826209089 1443752081 /nfs/dbraw/zinc/75/20/81/1443752081.db2.gz MDGCPUBTYIXCBV-UHFFFAOYSA-N -1 1 347.781 3.304 20 10 EGCDMM CN(C)c1ccc(CNc2cc(-c3nnn[n-]3)nc3ccccc32)cc1 ZINC000736779543 1446926592 /nfs/dbraw/zinc/92/65/92/1446926592.db2.gz JODIBUCCERYPOW-UHFFFAOYSA-N -1 1 345.410 3.093 20 10 EGCDMM CC(=O)c1cc(Cl)cc(C[NH2+][C@H](Cc2ccccc2)C(=O)[O-])c1[O-] ZINC001588527945 958877090 /nfs/dbraw/zinc/87/70/90/958877090.db2.gz HAPBRUBCWIIYLD-MRXNPFEDSA-N -1 1 347.798 3.034 20 10 EGCDMM C[C@@H](NCc1ccn(-c2ccccc2)n1)c1cc(C(=O)[O-])ccc1O ZINC001593304035 994740784 /nfs/dbraw/zinc/74/07/84/994740784.db2.gz KUWXBTCRLXCCRA-CYBMUJFWSA-N -1 1 337.379 3.127 20 10 EGCDMM COC[C@H](NCc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccc(C)o1 ZINC000177570778 454878496 /nfs/dbraw/zinc/87/84/96/454878496.db2.gz AIEGDMHXMLAYRD-LBPRGKRZSA-N -1 1 340.763 3.333 20 10 EGCDMM O=C(N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1)c1c(F)ccc(O)c1[O-] ZINC000294872892 455831138 /nfs/dbraw/zinc/83/11/38/455831138.db2.gz FFEKWAQZJHRDTO-DOMZBBRYSA-N -1 1 349.333 3.026 20 10 EGCDMM C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1c(F)ccc(O)c1[O-] ZINC000295440835 455849988 /nfs/dbraw/zinc/84/99/88/455849988.db2.gz XFOGPDITEZJICM-GXTWGEPZSA-N -1 1 329.371 3.330 20 10 EGCDMM CO[C@H]1CC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1(C)C ZINC000296014397 455866473 /nfs/dbraw/zinc/86/64/73/455866473.db2.gz MTCRWLBIPAZNAI-HNNXBMFYSA-N -1 1 325.836 3.495 20 10 EGCDMM O=C(NCc1c(O)ccc2c1CCCC2)c1c(F)ccc([O-])c1F ZINC000280752162 456045969 /nfs/dbraw/zinc/04/59/69/456045969.db2.gz KPSZZBGCHYLJFH-UHFFFAOYSA-N -1 1 333.334 3.185 20 10 EGCDMM CCCCN(Cc1ccccc1O)C(=O)C(=O)c1ccc([O-])cc1 ZINC000287891764 456081853 /nfs/dbraw/zinc/08/18/53/456081853.db2.gz OWNJWSFYJHZXJM-UHFFFAOYSA-N -1 1 327.380 3.109 20 10 EGCDMM CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000271211930 456174884 /nfs/dbraw/zinc/17/48/84/456174884.db2.gz VQMGIZHTEGDHCF-LBPRGKRZSA-N -1 1 340.851 3.392 20 10 EGCDMM C[C@H](NCc1nnc2n1CCC2)c1ccc(Cl)c(Cl)c1[O-] ZINC000273411095 456228152 /nfs/dbraw/zinc/22/81/52/456228152.db2.gz PPZMPTSMMXJRST-QMMMGPOBSA-N -1 1 327.215 3.088 20 10 EGCDMM CN(C)c1ccc2c(c1)OCCN2C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000631560259 460443532 /nfs/dbraw/zinc/44/35/32/460443532.db2.gz VUQFENLYVHCNNZ-UHFFFAOYSA-N -1 1 346.814 3.080 20 10 EGCDMM Cc1ccc2nc(CNCc3cc(Cl)cc([N+](=O)[O-])c3[O-])cn2c1 ZINC000729680952 574878070 /nfs/dbraw/zinc/87/80/70/574878070.db2.gz IVUMIFPBMOHDTC-UHFFFAOYSA-N -1 1 346.774 3.200 20 10 EGCDMM O=C([O-])C[N@H+](Cc1ccc2c(c1)CCO2)Cc1cc(Cl)ccc1[O-] ZINC000739796542 576506219 /nfs/dbraw/zinc/50/62/19/576506219.db2.gz UDISAEJXPOMIRI-UHFFFAOYSA-N -1 1 347.798 3.067 20 10 EGCDMM O=C([O-])C[N@@H+](Cc1ccc2c(c1)CCO2)Cc1cc(Cl)ccc1[O-] ZINC000739796542 576506220 /nfs/dbraw/zinc/50/62/20/576506220.db2.gz UDISAEJXPOMIRI-UHFFFAOYSA-N -1 1 347.798 3.067 20 10 EGCDMM O=C(CSc1nnc(-c2ccccc2F)o1)c1ccc([O-])c(O)c1 ZINC000007192260 1291065585 /nfs/dbraw/zinc/06/55/85/1291065585.db2.gz NOGHDGUNKFXQCW-UHFFFAOYSA-N -1 1 346.339 3.262 20 10 EGCDMM CS(=O)(=O)Nc1cccc(NCc2cccc(Cl)c2[O-])c1 ZINC000158058032 1294195609 /nfs/dbraw/zinc/19/56/09/1294195609.db2.gz RQHDHGWJIBEFIJ-UHFFFAOYSA-N -1 1 326.805 3.029 20 10 EGCDMM C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc2ccccc2cc1[O-] ZINC000185388496 1295261208 /nfs/dbraw/zinc/26/12/08/1295261208.db2.gz CSLFPNMFAMAMNC-LBPRGKRZSA-N -1 1 337.375 3.318 20 10 EGCDMM O=C(c1ccccc1)N1CCCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC000876595421 1298857033 /nfs/dbraw/zinc/85/70/33/1298857033.db2.gz GXCBYDWZDYWXHB-UHFFFAOYSA-N -1 1 346.377 3.019 20 10 EGCDMM COc1ccc2c(c1)C(=O)N(C)[C@@H](c1cc(Cl)c(F)cc1[O-])N2 ZINC000877851824 1299610783 /nfs/dbraw/zinc/61/07/83/1299610783.db2.gz NOFSQQYRGJOKKW-HNNXBMFYSA-N -1 1 336.750 3.390 20 10 EGCDMM CC(C)n1ccc(CNCc2cc(Br)cc(F)c2[O-])n1 ZINC000883016054 1302205258 /nfs/dbraw/zinc/20/52/58/1302205258.db2.gz MAXGXMYGGAXGRC-UHFFFAOYSA-N -1 1 342.212 3.361 20 10 EGCDMM COC[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)c1ccc(F)c(F)c1 ZINC000883082794 1302238671 /nfs/dbraw/zinc/23/86/71/1302238671.db2.gz QPGKCPZHEQTWEO-OAHLLOKOSA-N -1 1 329.293 3.426 20 10 EGCDMM COc1ccsc1C(=O)NCc1cccc(Br)c1[O-] ZINC000765755132 1302319010 /nfs/dbraw/zinc/31/90/10/1302319010.db2.gz GFRAZMZZAIFCMA-UHFFFAOYSA-N -1 1 342.214 3.155 20 10 EGCDMM CCc1cccnc1C(=O)NCc1cccc(Br)c1[O-] ZINC000765757689 1302317946 /nfs/dbraw/zinc/31/79/46/1302317946.db2.gz SYIDKVULLQUVDN-UHFFFAOYSA-N -1 1 335.201 3.042 20 10 EGCDMM O=C(Cc1cccc(F)c1)NCc1cccc(Br)c1[O-] ZINC000765751728 1302319222 /nfs/dbraw/zinc/31/92/22/1302319222.db2.gz JKSTWOUPLIYZNF-UHFFFAOYSA-N -1 1 338.176 3.153 20 10 EGCDMM O=C(COC(=O)c1c[nH]cc1-c1ccccc1)c1ccc([O-])c(O)c1 ZINC000782894720 1305021373 /nfs/dbraw/zinc/02/13/73/1305021373.db2.gz JMCCPJCJGWGXDM-UHFFFAOYSA-N -1 1 337.331 3.133 20 10 EGCDMM O=C(OCC(=O)c1ccc([O-])c(O)c1)c1cc2cc(F)ccc2o1 ZINC000783717571 1305131821 /nfs/dbraw/zinc/13/18/21/1305131821.db2.gz TUHORFWCDNGCKT-UHFFFAOYSA-N -1 1 330.267 3.023 20 10 EGCDMM C[C@H](Cc1cccc(Cl)c1)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784365091 1305235385 /nfs/dbraw/zinc/23/53/85/1305235385.db2.gz CXDCGRUDNIMXJS-LLVKDONJSA-N -1 1 348.782 3.356 20 10 EGCDMM Cc1cc(Cl)c(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1C ZINC000784632200 1305266668 /nfs/dbraw/zinc/26/66/68/1305266668.db2.gz RZMMTKQUPHZOQJ-UHFFFAOYSA-N -1 1 334.755 3.408 20 10 EGCDMM Cc1ccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c(F)c1Cl ZINC000789071476 1306082029 /nfs/dbraw/zinc/08/20/29/1306082029.db2.gz XEUOCBLGPZGBDL-UHFFFAOYSA-N -1 1 338.718 3.238 20 10 EGCDMM C[C@@H]1CC[C@H](CNC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000793276334 1309337746 /nfs/dbraw/zinc/33/77/46/1309337746.db2.gz WPCAEYPJSHMUMO-MNOVXSKESA-N -1 1 341.249 3.390 20 10 EGCDMM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)nc2C)c(C)c(C)c1O ZINC000808110079 1317625763 /nfs/dbraw/zinc/62/57/63/1317625763.db2.gz UIXNIFVADVLUOX-UHFFFAOYSA-N -1 1 340.832 3.475 20 10 EGCDMM C/C(=C(/F)C(=O)NCc1cccc(Br)c1[O-])C1CC1 ZINC000907759482 1318255097 /nfs/dbraw/zinc/25/50/97/1318255097.db2.gz ZCOSSIQROPLYQD-WQLSENKSSA-N -1 1 328.181 3.424 20 10 EGCDMM [O-]c1cc(F)c(Cl)cc1CNc1cnn(Cc2ccncc2)c1 ZINC000816563323 1319182189 /nfs/dbraw/zinc/18/21/89/1319182189.db2.gz TXCJMYQQRZRFSV-UHFFFAOYSA-N -1 1 332.766 3.437 20 10 EGCDMM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1c([O-])c(O)ccc1F ZINC000825948346 1320373934 /nfs/dbraw/zinc/37/39/34/1320373934.db2.gz BYXQEJRCBONBSZ-ZYHUDNBSSA-N -1 1 333.334 3.394 20 10 EGCDMM CC(C)O[C@@H]1CCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000846015471 1321762826 /nfs/dbraw/zinc/76/28/26/1321762826.db2.gz MWDZQNZZVWJYNM-CYBMUJFWSA-N -1 1 328.796 3.343 20 10 EGCDMM CN(C)c1cc(F)c(CNCc2cccc(CCC(=O)[O-])c2)cc1F ZINC000864518295 1329621547 /nfs/dbraw/zinc/62/15/47/1329621547.db2.gz GMCRFABCFFSOMA-UHFFFAOYSA-N -1 1 348.393 3.338 20 10 EGCDMM CCOc1ccc(C)cc1S(=O)(=O)Nc1ccc([O-])c(F)c1F ZINC001191821945 1367602265 /nfs/dbraw/zinc/60/22/65/1367602265.db2.gz XGFADNZUHDOPDW-UHFFFAOYSA-N -1 1 343.351 3.178 20 10 EGCDMM CC(C)c1ccccc1NC(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001192271881 1367736294 /nfs/dbraw/zinc/73/62/94/1367736294.db2.gz LNVRPGAGOVMPNP-UHFFFAOYSA-N -1 1 328.368 3.226 20 10 EGCDMM CCc1ccc(OC)c(S(=O)(=O)Nc2ccc([O-])c(F)c2F)c1 ZINC001192805515 1367878283 /nfs/dbraw/zinc/87/82/83/1367878283.db2.gz JJAHELCQUIWHJR-UHFFFAOYSA-N -1 1 343.351 3.042 20 10 EGCDMM Cc1cc2c(ncnc2NC(=O)c2ccc(O)c([O-])c2Cl)s1 ZINC001193209451 1367967029 /nfs/dbraw/zinc/96/70/29/1367967029.db2.gz KLLOCGGCAJKREC-UHFFFAOYSA-N -1 1 335.772 3.317 20 10 EGCDMM O=C(Nc1cc(-c2ccccc2O)no1)c1ccc(O)c([O-])c1Cl ZINC001193219626 1367970301 /nfs/dbraw/zinc/97/03/01/1367970301.db2.gz LJUORTZAEYSHOZ-UHFFFAOYSA-N -1 1 346.726 3.364 20 10 EGCDMM O=C(c1ccc(O)c([O-])c1Cl)N1CCc2cc(F)c(F)cc2C1 ZINC001193233137 1367972201 /nfs/dbraw/zinc/97/22/01/1367972201.db2.gz VFUMTUANHGWDAD-UHFFFAOYSA-N -1 1 339.725 3.228 20 10 EGCDMM COC1CCC(CCNC(=O)c2ccc(O)c([O-])c2Cl)CC1 ZINC001193247092 1367979640 /nfs/dbraw/zinc/97/96/40/1367979640.db2.gz KSSRGZDEGJRESL-UHFFFAOYSA-N -1 1 327.808 3.076 20 10 EGCDMM COC(=O)C1(C)CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC001203579967 1370178010 /nfs/dbraw/zinc/17/80/10/1370178010.db2.gz HTSKBLRSMXOBBU-UHFFFAOYSA-N -1 1 332.227 3.474 20 10 EGCDMM [O-]c1c(Cl)cc(Cl)cc1CN1CC[C@@H](Oc2cnccn2)C1 ZINC001203585334 1370178930 /nfs/dbraw/zinc/17/89/30/1370178930.db2.gz HDJJFFVULRBNFI-GFCCVEGCSA-N -1 1 340.210 3.142 20 10 EGCDMM O=C1c2ccccc2C(=O)c2c1ccc([O-])c2OC1CC(F)(F)C1 ZINC001227580085 1375446421 /nfs/dbraw/zinc/44/64/21/1375446421.db2.gz GNCGCJSYJDCRKP-UHFFFAOYSA-N -1 1 330.286 3.344 20 10 EGCDMM CN(Cc1nnc2ccccn21)Cc1cccc(C(F)(F)F)c1[O-] ZINC001233416724 1376641850 /nfs/dbraw/zinc/64/18/50/1376641850.db2.gz TUWMGSQXJCFSBD-UHFFFAOYSA-N -1 1 336.317 3.086 20 10 EGCDMM O=C1CN(Cc2cccc(F)c2[O-])CCN1c1ccccc1Cl ZINC001138130648 1377682915 /nfs/dbraw/zinc/68/29/15/1377682915.db2.gz DVSIYQKIEVWCDX-UHFFFAOYSA-N -1 1 334.778 3.034 20 10 EGCDMM C[C@@H]1CN(Cc2c(F)ccc(F)c2[O-])C[C@@H]1NC(=O)OC(C)(C)C ZINC001139688018 1377934156 /nfs/dbraw/zinc/93/41/56/1377934156.db2.gz WAWBKJDTEJGPGI-YGRLFVJLSA-N -1 1 342.386 3.015 20 10 EGCDMM Cc1cccc(O[C@H]2CCC[N@@H+](Cc3c([O-])cc(F)cc3F)C2)n1 ZINC001140585770 1378090372 /nfs/dbraw/zinc/09/03/72/1378090372.db2.gz UHYKRXYTMOAAIB-AWEZNQCLSA-N -1 1 334.366 3.417 20 10 EGCDMM [O-]c1c(Br)cc(Cl)cc1CN1CCCC[C@@H]1CO ZINC001141366342 1378312018 /nfs/dbraw/zinc/31/20/18/1378312018.db2.gz NXHVBMABMYDRCJ-LLVKDONJSA-N -1 1 334.641 3.155 20 10 EGCDMM O=C(CNC(=O)c1cccc2c(F)cccc12)c1ccc([O-])c(O)c1 ZINC001156103869 1380525685 /nfs/dbraw/zinc/52/56/85/1380525685.db2.gz GPGXFNXOFAFVOK-UHFFFAOYSA-N -1 1 339.322 3.003 20 10 EGCDMM CCc1nc(Cl)nc(Cl)c1NCC(=O)c1ccc([O-])c(O)c1 ZINC001159280571 1381749458 /nfs/dbraw/zinc/74/94/58/1381749458.db2.gz YBJULRJOPFMCMG-UHFFFAOYSA-N -1 1 342.182 3.052 20 10 EGCDMM Cc1ccc2c(c1)nc(Cl)nc2NCC(=O)c1ccc([O-])c(O)c1 ZINC001159276872 1381749989 /nfs/dbraw/zinc/74/99/89/1381749989.db2.gz NZNDOZZECNYHDP-UHFFFAOYSA-N -1 1 343.770 3.298 20 10 EGCDMM O=C(CNc1nnc(Cl)c2cccc(F)c21)c1ccc([O-])c(O)c1 ZINC001170316752 1384289549 /nfs/dbraw/zinc/28/95/49/1384289549.db2.gz MTHULFBYBOWCOH-UHFFFAOYSA-N -1 1 347.733 3.128 20 10 EGCDMM C[C@@H](C(=O)[O-])[N@@H+](Cc1cc(Cl)cc(Br)c1[O-])C1CC1 ZINC001573381818 958666180 /nfs/dbraw/zinc/66/61/80/958666180.db2.gz NYYXLVCYKBZLFP-ZETCQYMHSA-N -1 1 348.624 3.246 20 10 EGCDMM CC[C@H](C)c1nnc([C@H](C)N[C@H](C)c2cc(C(=O)[O-])ccc2O)[nH]1 ZINC001595015299 982960692 /nfs/dbraw/zinc/96/06/92/982960692.db2.gz HWCRWQAGBWDWIC-AXFHLTTASA-N -1 1 332.404 3.134 20 10 EGCDMM CC(=O)c1cc(Cl)cc(CN(C)Cc2ncc(Cl)n2C)c1[O-] ZINC000183281332 455270033 /nfs/dbraw/zinc/27/00/33/455270033.db2.gz LTYVSKLKHKYKQS-UHFFFAOYSA-N -1 1 342.226 3.267 20 10 EGCDMM O=C(c1c([O-])c(O)ccc1F)N1CCC(OC2CCCCC2)CC1 ZINC000295029260 455835624 /nfs/dbraw/zinc/83/56/24/455835624.db2.gz IEQAWVFNSUFAOS-UHFFFAOYSA-N -1 1 337.391 3.191 20 10 EGCDMM CC(C)(NCC(=O)Nc1ccc(N=Nc2ccccc2)cc1)C(=O)[O-] ZINC000736340047 575939870 /nfs/dbraw/zinc/93/98/70/575939870.db2.gz XEVISGOLPVYJAQ-UHFFFAOYSA-N -1 1 340.383 3.493 20 10 EGCDMM C[C@@H]1C[N@H+](Cc2cc3oc4ccccc4c3cc2[O-])C[C@H]1C(=O)[O-] ZINC000828455461 601818597 /nfs/dbraw/zinc/81/85/97/601818597.db2.gz CHVJQEFFPRLDHB-IAQYHMDHSA-N -1 1 325.364 3.444 20 10 EGCDMM C[C@@H]1C[N@@H+](Cc2cc3oc4ccccc4c3cc2[O-])C[C@H]1C(=O)[O-] ZINC000828455461 601818598 /nfs/dbraw/zinc/81/85/98/601818598.db2.gz CHVJQEFFPRLDHB-IAQYHMDHSA-N -1 1 325.364 3.444 20 10 EGCDMM C[C@H]1C[N@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C[C@H]1C(=O)[O-] ZINC000828456258 601818916 /nfs/dbraw/zinc/81/89/16/601818916.db2.gz JVTYSUJLNOQNNY-WCQYABFASA-N -1 1 329.396 3.170 20 10 EGCDMM C[C@H]1C[N@@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C[C@H]1C(=O)[O-] ZINC000828456258 601818918 /nfs/dbraw/zinc/81/89/18/601818918.db2.gz JVTYSUJLNOQNNY-WCQYABFASA-N -1 1 329.396 3.170 20 10 EGCDMM O=[N+]([O-])c1ccc([O-])c(CNCc2cc(-c3ccccc3)on2)c1 ZINC000057592185 1291860459 /nfs/dbraw/zinc/86/04/59/1291860459.db2.gz POXJVOQKTDGZJB-UHFFFAOYSA-N -1 1 325.324 3.245 20 10 EGCDMM CCC(F)(F)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000830543833 1292730955 /nfs/dbraw/zinc/73/09/55/1292730955.db2.gz GABIQOCUUKOAEU-ZDUSSCGKSA-N -1 1 346.805 3.172 20 10 EGCDMM CCC(F)(F)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000830543832 1292731733 /nfs/dbraw/zinc/73/17/33/1292731733.db2.gz GABIQOCUUKOAEU-CYBMUJFWSA-N -1 1 346.805 3.172 20 10 EGCDMM Cc1cc([N-]S(=O)(=O)c2cccc(Br)c2)ccc1O ZINC000148619206 1293884288 /nfs/dbraw/zinc/88/42/88/1293884288.db2.gz ZWXYFLGFKSMHIZ-UHFFFAOYSA-N -1 1 342.214 3.264 20 10 EGCDMM CSc1cc(O)ccc1[N-]S(=O)(=O)c1cc(F)ccc1C ZINC000192155021 1295736973 /nfs/dbraw/zinc/73/69/73/1295736973.db2.gz GTLBRKNWZXRFNT-UHFFFAOYSA-N -1 1 327.402 3.362 20 10 EGCDMM O=C(Nc1c(-c2ccccn2)nc2ccccn21)c1ccccc1[O-] ZINC000751305117 1299534112 /nfs/dbraw/zinc/53/41/12/1299534112.db2.gz BESFFJDFTIEYRU-UHFFFAOYSA-N -1 1 330.347 3.354 20 10 EGCDMM C[C@@H](NCc1cc[nH]n1)c1cc(Br)cc(Cl)c1[O-] ZINC000756554111 1300520270 /nfs/dbraw/zinc/52/02/70/1300520270.db2.gz MTMWFWRZSHRPHS-SSDOTTSWSA-N -1 1 330.613 3.382 20 10 EGCDMM C[C@@H](Nc1ccc2c(c1)N(C)C(=O)CO2)c1cc(F)cc(F)c1[O-] ZINC000756839675 1300573323 /nfs/dbraw/zinc/57/33/23/1300573323.db2.gz HICDAORJADKZEK-SECBINFHSA-N -1 1 334.322 3.199 20 10 EGCDMM Cc1ccc(NC(=O)NCc2cccc(Br)c2[O-])nc1 ZINC000765342879 1302250023 /nfs/dbraw/zinc/25/00/23/1302250023.db2.gz PADPOOYUUVSLMU-UHFFFAOYSA-N -1 1 336.189 3.180 20 10 EGCDMM CN(C)C(=O)NCCc1ccc(NCc2cc(F)cc(F)c2[O-])cc1 ZINC000883195518 1302298819 /nfs/dbraw/zinc/29/88/19/1302298819.db2.gz WEYCOPPVBINUOY-UHFFFAOYSA-N -1 1 349.381 3.096 20 10 EGCDMM O=C(NCc1cccc(Br)c1[O-])c1ccc(Cl)nc1 ZINC000765730540 1302314877 /nfs/dbraw/zinc/31/48/77/1302314877.db2.gz CTQMHFJAJAEWGH-UHFFFAOYSA-N -1 1 341.592 3.133 20 10 EGCDMM O=C(/C=C/c1cccc(O)c1)NCc1cccc(Br)c1[O-] ZINC000765729641 1302315572 /nfs/dbraw/zinc/31/55/72/1302315572.db2.gz QZOYEYRUMYOVDV-BQYQJAHWSA-N -1 1 348.196 3.190 20 10 EGCDMM CCCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)cc1 ZINC000776748726 1304191963 /nfs/dbraw/zinc/19/19/63/1304191963.db2.gz YNFPPUBIDMJKFZ-UHFFFAOYSA-N -1 1 349.408 3.068 20 10 EGCDMM C[C@@H](CC(=O)OCC(=O)c1ccc([O-])c(O)c1)c1ccc(F)cc1 ZINC000783653531 1305123510 /nfs/dbraw/zinc/12/35/10/1305123510.db2.gz CYFAGQMMTZICCI-NSHDSACASA-N -1 1 332.327 3.157 20 10 EGCDMM CC[C@H](C)N(CC(=O)OC)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000799169324 1310498435 /nfs/dbraw/zinc/49/84/35/1310498435.db2.gz GEWQRWVCSXUNPY-JTQLQIEISA-N -1 1 327.808 3.022 20 10 EGCDMM CCOc1cccc(S(=O)(=O)[N-]c2ccc(O)cc2SC)c1 ZINC000799925635 1310639480 /nfs/dbraw/zinc/63/94/80/1310639480.db2.gz AVLBPYXNFYUWPX-UHFFFAOYSA-N -1 1 339.438 3.314 20 10 EGCDMM CCNC(=O)OC[C@H]1CCCCN1Cc1cc(Cl)cc(F)c1[O-] ZINC000809690887 1317864334 /nfs/dbraw/zinc/86/43/34/1317864334.db2.gz DYIQXVVRGBSCOX-CYBMUJFWSA-N -1 1 344.814 3.285 20 10 EGCDMM Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1ccc([O-])cc1F ZINC000839920222 1320996440 /nfs/dbraw/zinc/99/64/40/1320996440.db2.gz NMJUGSPILOWKSK-CYBMUJFWSA-N -1 1 330.403 3.267 20 10 EGCDMM C[C@@H](NCc1nnn(C(C)(C)C)n1)c1cc(Cl)c(Cl)cc1[O-] ZINC000848561265 1321975887 /nfs/dbraw/zinc/97/58/87/1321975887.db2.gz TWJBGDACDKSMHX-MRVPVSSYSA-N -1 1 344.246 3.291 20 10 EGCDMM Cc1noc([C@H](C)N(C)Cc2cc(C)cc(Br)c2[O-])n1 ZINC000848926219 1322047766 /nfs/dbraw/zinc/04/77/66/1322047766.db2.gz SCZGEVWWAHKJDN-VIFPVBQESA-N -1 1 340.221 3.348 20 10 EGCDMM CC(C)(C)[C@H](C[NH2+]Cc1c([O-])cccc1Br)CC(=O)[O-] ZINC000864505783 1329619795 /nfs/dbraw/zinc/61/97/95/1329619795.db2.gz TVECTSCPIQQALL-JTQLQIEISA-N -1 1 344.249 3.381 20 10 EGCDMM O=C(c1ccc(O)c([O-])c1Cl)N1CC[C@H]1COCc1ccccc1 ZINC001193226015 1367971496 /nfs/dbraw/zinc/97/14/96/1367971496.db2.gz WGHSQYYOAOWTCF-ZDUSSCGKSA-N -1 1 347.798 3.183 20 10 EGCDMM COc1cnccc1[C@H](NC(=O)c1ccc(O)c([O-])c1Cl)C1CC1 ZINC001193255348 1367980520 /nfs/dbraw/zinc/98/05/20/1367980520.db2.gz VKRIQENNWPFSRS-OAHLLOKOSA-N -1 1 348.786 3.036 20 10 EGCDMM CC(C)Nc1ccc(Nc2cc(S(=O)(=O)C(N)=O)ccc2[O-])cc1 ZINC001201504839 1369558407 /nfs/dbraw/zinc/55/84/07/1369558407.db2.gz JTMUYAXEDFEOHF-UHFFFAOYSA-N -1 1 349.412 3.223 20 10 EGCDMM COC(=O)c1cccc2c1CN(Cc1cc(Cl)c([O-])cc1O)C2 ZINC001232269187 1376428338 /nfs/dbraw/zinc/42/83/38/1376428338.db2.gz XPLVXEQATDRTTC-UHFFFAOYSA-N -1 1 333.771 3.054 20 10 EGCDMM [O-]c1cc(F)cc(F)c1CN1CCC(Oc2ccc(F)cn2)CC1 ZINC001140585402 1378090286 /nfs/dbraw/zinc/09/02/86/1378090286.db2.gz IEIQXFKVVHYQLR-UHFFFAOYSA-N -1 1 338.329 3.248 20 10 EGCDMM C[C@H]1C[C@@H](NC(=O)c2cc3cc(O)c([O-])cc3oc2=O)CC(C)(C)C1 ZINC001155235008 1380427679 /nfs/dbraw/zinc/42/76/79/1380427679.db2.gz VOSIPEJYXDELMU-CMPLNLGQSA-N -1 1 345.395 3.149 20 10 EGCDMM CC(C)c1oncc1C(=O)NCc1cccc(Br)c1[O-] ZINC001349719479 1391358499 /nfs/dbraw/zinc/35/84/99/1391358499.db2.gz JQRKYWSZXRDBIR-UHFFFAOYSA-N -1 1 339.189 3.196 20 10 EGCDMM CCCN(Cc1ccccc1O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000821109492 1446143628 /nfs/dbraw/zinc/14/36/28/1446143628.db2.gz KRHMBIZOBCMRDP-UHFFFAOYSA-N -1 1 344.806 3.037 20 10 EGCDMM O=C([O-])[C@@H]([NH2+]Cc1cc(Br)ccc1[O-])c1ccccc1 ZINC000236451827 949907552 /nfs/dbraw/zinc/90/75/52/949907552.db2.gz UGGNAFSTUBPVQN-AWEZNQCLSA-N -1 1 336.185 3.070 20 10 EGCDMM CC(=O)c1cc(Cl)cc(C[N@H+](CC(=O)[O-])CC(C)(C)C)c1[O-] ZINC000852739870 955853587 /nfs/dbraw/zinc/85/35/87/955853587.db2.gz IHASWSFAESIRLH-UHFFFAOYSA-N -1 1 327.808 3.181 20 10 EGCDMM CC(=O)c1cc(Cl)cc(C[N@@H+](CC(=O)[O-])CC(C)(C)C)c1[O-] ZINC000852739870 955853597 /nfs/dbraw/zinc/85/35/97/955853597.db2.gz IHASWSFAESIRLH-UHFFFAOYSA-N -1 1 327.808 3.181 20 10 EGCDMM C[C@@H](C(=O)[O-])[N@@H+](Cc1cc(Br)cc(F)c1[O-])C1CCC1 ZINC001589487243 987045587 /nfs/dbraw/zinc/04/55/87/987045587.db2.gz WATSBLQUTAEVSU-QMMMGPOBSA-N -1 1 346.196 3.121 20 10 EGCDMM C[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1cc(C(=O)[O-])co1 ZINC001593198177 994169362 /nfs/dbraw/zinc/16/93/62/994169362.db2.gz OBCZWVRHJZRPCR-UONOGXRCSA-N -1 1 344.411 3.226 20 10 EGCDMM COc1cc(Cl)cc(CN2CCc3cccc(C(=O)[O-])c3C2)c1O ZINC001599420950 997594014 /nfs/dbraw/zinc/59/40/14/997594014.db2.gz RWPFOUSMOSJBBR-UHFFFAOYSA-N -1 1 347.798 3.311 20 10 EGCDMM O=C(NCCCCOCCc1ccccc1)c1c(F)ccc(O)c1[O-] ZINC000294806480 455828556 /nfs/dbraw/zinc/82/85/56/455828556.db2.gz IWMVJJJADFSTGV-UHFFFAOYSA-N -1 1 347.386 3.006 20 10 EGCDMM O=C(NC[C@H]1CCCO[C@@H]1c1ccccc1)c1c(F)ccc(O)c1[O-] ZINC000294896077 455830892 /nfs/dbraw/zinc/83/08/92/455830892.db2.gz RFSCWRYFKKDHGR-FZKQIMNGSA-N -1 1 345.370 3.135 20 10 EGCDMM CCOC(=O)c1cnc(C(C)=Cc2ccc(N(C)C)c(F)c2)[n-]c1=O ZINC000278646382 455843397 /nfs/dbraw/zinc/84/33/97/455843397.db2.gz GKWMSRLWCKDOTG-DHZHZOJOSA-N -1 1 345.374 3.125 20 10 EGCDMM CC(C)Oc1cccc(CN(C)C(=O)c2c(F)ccc(O)c2[O-])c1 ZINC000296537435 455966748 /nfs/dbraw/zinc/96/67/48/455966748.db2.gz NPPOEJYKTAXJSD-UHFFFAOYSA-N -1 1 333.359 3.296 20 10 EGCDMM CC[N@H+](C/C=C(/C)C(=O)[O-])Cc1cc(Br)ccc1[O-] ZINC000829692251 601179521 /nfs/dbraw/zinc/17/95/21/601179521.db2.gz DKPYWJSNPSXJGS-POHAHGRESA-N -1 1 328.206 3.008 20 10 EGCDMM CC[N@@H+](C/C=C(/C)C(=O)[O-])Cc1cc(Br)ccc1[O-] ZINC000829692251 601179522 /nfs/dbraw/zinc/17/95/22/601179522.db2.gz DKPYWJSNPSXJGS-POHAHGRESA-N -1 1 328.206 3.008 20 10 EGCDMM O=C([O-])[C@]1(F)CC[N@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C1 ZINC000833175061 601371764 /nfs/dbraw/zinc/37/17/64/601371764.db2.gz MVJSYDWSRLNGMP-SFHVURJKSA-N -1 1 333.359 3.016 20 10 EGCDMM O=C([O-])[C@]1(F)CC[N@@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C1 ZINC000833175061 601371767 /nfs/dbraw/zinc/37/17/67/601371767.db2.gz MVJSYDWSRLNGMP-SFHVURJKSA-N -1 1 333.359 3.016 20 10 EGCDMM O=C([O-])c1cc(CN(Cc2ccco2)Cc2ccccc2O)c[nH]1 ZINC000833296700 604468164 /nfs/dbraw/zinc/46/81/64/604468164.db2.gz QTCIXRYEWGMQEE-UHFFFAOYSA-N -1 1 326.352 3.214 20 10 EGCDMM NC(=O)Nc1cccc(NCc2cccc(Br)c2[O-])c1 ZINC000048797042 1291618455 /nfs/dbraw/zinc/61/84/55/1291618455.db2.gz TWZMFXOIBXXQEG-UHFFFAOYSA-N -1 1 336.189 3.257 20 10 EGCDMM CC(C)n1ncc2cc(C=C3SC(=S)[N-]C3=O)c(Cl)nc21 ZINC000120785277 1293338465 /nfs/dbraw/zinc/33/84/65/1293338465.db2.gz NNQBQWUNNUYFCX-WTKPLQERSA-N -1 1 338.845 3.154 20 10 EGCDMM O=C1N[C@@H](c2cc(Cl)c(F)cc2[O-])Nc2cc(F)c(F)cc21 ZINC000877859095 1299612856 /nfs/dbraw/zinc/61/28/56/1299612856.db2.gz DXOLHEGHRXYJJQ-ZDUSSCGKSA-N -1 1 328.677 3.317 20 10 EGCDMM CC1(C)C[C@H]1CNC(=O)NCc1cccc(Br)c1[O-] ZINC000764782386 1302135077 /nfs/dbraw/zinc/13/50/77/1302135077.db2.gz YIKIGPPOJDQHJL-JTQLQIEISA-N -1 1 327.222 3.000 20 10 EGCDMM C[C@@H](NC(=O)NCc1cccc(Br)c1[O-])c1ccc[nH]1 ZINC000764798529 1302137683 /nfs/dbraw/zinc/13/76/83/1302137683.db2.gz DOLUCZJOPSIKSA-SECBINFHSA-N -1 1 338.205 3.043 20 10 EGCDMM COc1cc(NCc2cc(F)cc(F)c2[O-])ccc1N1CCCC1=O ZINC000882907771 1302158095 /nfs/dbraw/zinc/15/80/95/1302158095.db2.gz PBQOAXISKUZSMR-UHFFFAOYSA-N -1 1 348.349 3.418 20 10 EGCDMM CSc1cncc(NCc2cccc(Br)c2[O-])n1 ZINC000764934868 1302170258 /nfs/dbraw/zinc/17/02/58/1302170258.db2.gz PHXHZTKORFPQIH-UHFFFAOYSA-N -1 1 326.219 3.279 20 10 EGCDMM O=C(NCc1cccc(Br)c1[O-])c1cccc(F)c1F ZINC000765736092 1302314943 /nfs/dbraw/zinc/31/49/43/1302314943.db2.gz LDHCCVQXJNMCJC-UHFFFAOYSA-N -1 1 342.139 3.363 20 10 EGCDMM O=C(/C=C/c1ccc(O)cc1)NCc1cccc(Br)c1[O-] ZINC000765728486 1302315396 /nfs/dbraw/zinc/31/53/96/1302315396.db2.gz UCEBIZTUVQDRQO-RMKNXTFCSA-N -1 1 348.196 3.190 20 10 EGCDMM COc1ccc2c(c1)C(=O)N(C1CC1)[C@@H](c1cc(F)cc(F)c1[O-])N2 ZINC000887328434 1303746091 /nfs/dbraw/zinc/74/60/91/1303746091.db2.gz XRMPVTICXKMYCQ-KRWDZBQOSA-N -1 1 346.333 3.408 20 10 EGCDMM O=C(OCC(=O)c1ccc([O-])c(O)c1)c1cc2ccc(F)cc2s1 ZINC000782540390 1304987247 /nfs/dbraw/zinc/98/72/47/1304987247.db2.gz JUXYMUINEWLKOY-UHFFFAOYSA-N -1 1 346.335 3.491 20 10 EGCDMM O=C(COC(=O)[C@H]1CCSc2ccccc21)c1ccc([O-])c(O)c1 ZINC000783899548 1305159638 /nfs/dbraw/zinc/15/96/38/1305159638.db2.gz NBQPFRKTVHIHGK-ZDUSSCGKSA-N -1 1 344.388 3.103 20 10 EGCDMM [O-]c1c(F)cc(Cl)cc1CN1CCC(Oc2cnccn2)CC1 ZINC000787292741 1305727591 /nfs/dbraw/zinc/72/75/91/1305727591.db2.gz KGIOVPLPQOLBPV-UHFFFAOYSA-N -1 1 337.782 3.018 20 10 EGCDMM CCOc1cccc(S(=O)(=O)[N-]c2ccc(O)c(Cl)c2)c1 ZINC000799925016 1310639525 /nfs/dbraw/zinc/63/95/25/1310639525.db2.gz LADDMVQSHPSIQZ-UHFFFAOYSA-N -1 1 327.789 3.245 20 10 EGCDMM CC(C)[C@]1(C)C[C@@H]1NC(=O)NCc1cccc(Br)c1[O-] ZINC000838767966 1320814166 /nfs/dbraw/zinc/81/41/66/1320814166.db2.gz YPLOIGHQABLDHB-WFASDCNBSA-N -1 1 341.249 3.389 20 10 EGCDMM O=C1CCc2nc(NCc3cccc(Br)c3[O-])ccc21 ZINC000808049855 1317616418 /nfs/dbraw/zinc/61/64/18/1317616418.db2.gz HAHYFEMUXNVDMG-UHFFFAOYSA-N -1 1 333.185 3.291 20 10 EGCDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(Cl)nc1C ZINC000808110730 1317625123 /nfs/dbraw/zinc/62/51/23/1317625123.db2.gz YNCWUWKLYBYLGF-UHFFFAOYSA-N -1 1 326.805 3.112 20 10 EGCDMM CCNC(=O)OC[C@@H]1CCCCN1Cc1cc(Cl)cc(F)c1[O-] ZINC000809690888 1317864080 /nfs/dbraw/zinc/86/40/80/1317864080.db2.gz DYIQXVVRGBSCOX-ZDUSSCGKSA-N -1 1 344.814 3.285 20 10 EGCDMM CCOC(=O)c1cc(NCc2c([O-])ccc(Cl)c2F)cn1C ZINC000809756445 1317891927 /nfs/dbraw/zinc/89/19/27/1317891927.db2.gz QTTFPJDNUPVODC-UHFFFAOYSA-N -1 1 326.755 3.312 20 10 EGCDMM CON(C)C(=O)c1ccc(NCc2c([O-])ccc(Cl)c2F)cc1 ZINC000811838949 1318276662 /nfs/dbraw/zinc/27/66/62/1318276662.db2.gz FYANWZPSMAHUBY-UHFFFAOYSA-N -1 1 338.766 3.430 20 10 EGCDMM Cc1ccoc1CNC(=O)NCc1cccc(Br)c1[O-] ZINC000813842852 1318641476 /nfs/dbraw/zinc/64/14/76/1318641476.db2.gz XULHIQAIFVNHFG-UHFFFAOYSA-N -1 1 339.189 3.056 20 10 EGCDMM CS(=O)(=O)Nc1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1 ZINC000816525200 1319174998 /nfs/dbraw/zinc/17/49/98/1319174998.db2.gz JQAFCTRNNISWML-UHFFFAOYSA-N -1 1 344.795 3.168 20 10 EGCDMM O=S1(=O)C[C@H]([NH2+]Cc2ccc3ccccc3c2O)c2ccccc21 ZINC000816611520 1319192630 /nfs/dbraw/zinc/19/26/30/1319192630.db2.gz RKWNSCYOTNSSLP-KRWDZBQOSA-N -1 1 339.416 3.164 20 10 EGCDMM O=C1[N-]C(=S)S/C1=C\c1ccc(OCc2ccncc2)cc1 ZINC000915043897 1319413419 /nfs/dbraw/zinc/41/34/19/1319413419.db2.gz DGDPMWPOKZLDDQ-ZROIWOOFSA-N -1 1 328.418 3.149 20 10 EGCDMM O=[N+]([O-])c1cc(Cl)cc(CNCc2nc3c(s2)CCC3)c1[O-] ZINC000922470862 1322535402 /nfs/dbraw/zinc/53/54/02/1322535402.db2.gz TYNPKIGEKSVIEY-UHFFFAOYSA-N -1 1 339.804 3.189 20 10 EGCDMM O=C(Nc1cccc2[nH]c(=O)ccc12)c1ccc(O)c([O-])c1Cl ZINC001193230224 1367972574 /nfs/dbraw/zinc/97/25/74/1367972574.db2.gz RNHSUKRGNWGOFQ-UHFFFAOYSA-N -1 1 330.727 3.257 20 10 EGCDMM CCO[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2[O-])[C@@H]2CCCO[C@H]12 ZINC001203575684 1370176135 /nfs/dbraw/zinc/17/61/35/1370176135.db2.gz XGBNKMHEEASARQ-FMKPAKJESA-N -1 1 346.254 3.467 20 10 EGCDMM CC(C)(C)OC(=O)O[C@@H]1CCN(Cc2ccc(F)c(F)c2[O-])C1 ZINC001233074415 1376563475 /nfs/dbraw/zinc/56/34/75/1376563475.db2.gz PPUUFWBIFPGUMP-LLVKDONJSA-N -1 1 329.343 3.196 20 10 EGCDMM CC(C)(C)OC(=O)NCC1(C)CN(Cc2c([O-])ccc(F)c2F)C1 ZINC001233336323 1376619457 /nfs/dbraw/zinc/61/94/57/1376619457.db2.gz HRRHHIFFTPLLRU-UHFFFAOYSA-N -1 1 342.386 3.017 20 10 EGCDMM CC(C)(C)OC(=O)N1CCCC12CN(Cc1c([O-])cccc1F)C2 ZINC001137833210 1377623906 /nfs/dbraw/zinc/62/39/06/1377623906.db2.gz WYAHWHADHMFNIX-UHFFFAOYSA-N -1 1 336.407 3.117 20 10 EGCDMM CC(C)(C)OC(=O)N1CC(N(Cc2c([O-])cccc2F)C2CC2)C1 ZINC001137839491 1377626948 /nfs/dbraw/zinc/62/69/48/1377626948.db2.gz ACOSZCCTOFPRFG-UHFFFAOYSA-N -1 1 336.407 3.115 20 10 EGCDMM CCCc1noc(C2CCN(Cc3c(F)ccc(F)c3[O-])CC2)n1 ZINC001139686171 1377934322 /nfs/dbraw/zinc/93/43/22/1377934322.db2.gz PVMPDLDNVKBBRG-UHFFFAOYSA-N -1 1 337.370 3.386 20 10 EGCDMM Cc1cccc(O[C@H]2CCCN(Cc3c(F)ccc(F)c3[O-])C2)n1 ZINC001139690600 1377935184 /nfs/dbraw/zinc/93/51/84/1377935184.db2.gz YKAMKPRANWUYJI-ZDUSSCGKSA-N -1 1 334.366 3.417 20 10 EGCDMM CN(C(=O)OC(C)(C)C)[C@@H]1CCN(Cc2c([O-])cc(F)cc2F)C1 ZINC001140583435 1378090275 /nfs/dbraw/zinc/09/02/75/1378090275.db2.gz GRQJAQBMXABSIY-GFCCVEGCSA-N -1 1 342.386 3.112 20 10 EGCDMM [O-]c1c(Br)cc(Cl)cc1CN1CCN(C2CC2)CC1 ZINC001141367888 1378311195 /nfs/dbraw/zinc/31/11/95/1378311195.db2.gz VVUMCXNONDBNNB-UHFFFAOYSA-N -1 1 345.668 3.088 20 10 EGCDMM CN(Cc1cncnc1)Cc1cc(Cl)cc(Br)c1[O-] ZINC001141377229 1378314082 /nfs/dbraw/zinc/31/40/82/1378314082.db2.gz KBWWLKKTLFUNII-UHFFFAOYSA-N -1 1 342.624 3.230 20 10 EGCDMM O=C(CNc1nc(Cl)nc2cc(F)ccc21)c1ccc([O-])c(O)c1 ZINC001170313911 1384288452 /nfs/dbraw/zinc/28/84/52/1384288452.db2.gz IKKGWQDOZYQXPI-UHFFFAOYSA-N -1 1 347.733 3.128 20 10 EGCDMM Cc1nc2ccc(NCC(=O)c3ccc([O-])c(O)c3)nc2n1C(C)C ZINC001170316846 1384289384 /nfs/dbraw/zinc/28/93/84/1384289384.db2.gz QYXNCPQNIKFTDK-UHFFFAOYSA-N -1 1 340.383 3.027 20 10 EGCDMM COc1ncccc1Nc1cc2c(cc1[O-])C(=O)c1ccccc1C2=O ZINC001174042146 1385049315 /nfs/dbraw/zinc/04/93/15/1385049315.db2.gz DTINUKAPVBEGNE-UHFFFAOYSA-N -1 1 346.342 3.315 20 10 EGCDMM Fc1ccc(NCCCSc2nccs2)c(-c2nn[n-]n2)c1 ZINC000826375549 1429514689 /nfs/dbraw/zinc/51/46/89/1429514689.db2.gz SFGDUUUVNGSFQD-UHFFFAOYSA-N -1 1 336.421 3.057 20 10 EGCDMM CN(C)c1ccc(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1F ZINC000736778865 1441981436 /nfs/dbraw/zinc/98/14/36/1441981436.db2.gz HESNBOOPBLGIGX-UHFFFAOYSA-N -1 1 346.797 3.337 20 10 EGCDMM O=C([O-])CC[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000691424779 954683450 /nfs/dbraw/zinc/68/34/50/954683450.db2.gz WZCXQYDAVZXQJC-NSHDSACASA-N -1 1 342.233 3.232 20 10 EGCDMM O=C([O-])CC[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000691424779 954683455 /nfs/dbraw/zinc/68/34/55/954683455.db2.gz WZCXQYDAVZXQJC-NSHDSACASA-N -1 1 342.233 3.232 20 10 EGCDMM Cc1cc(Br)c([O-])c(C[N@@H+]2CCC[C@H](C)[C@H]2C(=O)[O-])c1 ZINC000818631701 955420759 /nfs/dbraw/zinc/42/07/59/955420759.db2.gz NJFWMYPBDQHDJD-GWCFXTLKSA-N -1 1 342.233 3.148 20 10 EGCDMM Cc1cc(Br)c([O-])c(C[N@@H+]2CCC[C@@H](C)[C@@H]2C(=O)[O-])c1 ZINC000818631704 955421497 /nfs/dbraw/zinc/42/14/97/955421497.db2.gz NJFWMYPBDQHDJD-ZWNOBZJWSA-N -1 1 342.233 3.148 20 10 EGCDMM CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](C(=O)[O-])c2cccc(C)c2)c1[O-] ZINC001588528015 958879218 /nfs/dbraw/zinc/87/92/18/958879218.db2.gz LIRIUJIJEAFASQ-MRXNPFEDSA-N -1 1 347.798 3.472 20 10 EGCDMM CCOc1ccc(N2CCN(Cc3ccsc3C(=O)[O-])CC2)cc1 ZINC001597111293 986764145 /nfs/dbraw/zinc/76/41/45/986764145.db2.gz LEKHGORKPXOTNT-UHFFFAOYSA-N -1 1 346.452 3.167 20 10 EGCDMM COc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3[O-])CC2)cc1 ZINC000078225425 454211763 /nfs/dbraw/zinc/21/17/63/454211763.db2.gz ZNHZENTWESFJDF-UHFFFAOYSA-N -1 1 346.814 3.017 20 10 EGCDMM O=S(=O)([N-]c1cccc(N2CCCC2)c1)c1ccc(F)c(F)c1 ZINC000096744375 454380632 /nfs/dbraw/zinc/38/06/32/454380632.db2.gz SPHSFYOFWKWFMI-UHFFFAOYSA-N -1 1 338.379 3.366 20 10 EGCDMM CC[C@H]1c2ccsc2CCN1C(=O)CN(C)Cc1ccccc1O ZINC000111235890 454859430 /nfs/dbraw/zinc/85/94/30/454859430.db2.gz JOHGAJHZDYQBLL-INIZCTEOSA-N -1 1 344.480 3.422 20 10 EGCDMM CC[C@@]1(CO)CCC[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000190215388 455288608 /nfs/dbraw/zinc/28/86/08/455288608.db2.gz NYZCGEASEDOEIN-OAHLLOKOSA-N -1 1 328.250 3.139 20 10 EGCDMM C[C@@H]1CC[C@H](CCC(=O)NCc2cccc(Br)c2[O-])O1 ZINC000277576192 455602801 /nfs/dbraw/zinc/60/28/01/455602801.db2.gz RCFRPYHHSUBYHI-ZYHUDNBSSA-N -1 1 342.233 3.119 20 10 EGCDMM O=S(=O)([N-]c1cccc(N2CCCC2)c1)c1ccc2c(c1)COC2 ZINC000732525734 575274085 /nfs/dbraw/zinc/27/40/85/575274085.db2.gz DZQXTMZXVFENEA-UHFFFAOYSA-N -1 1 344.436 3.118 20 10 EGCDMM CC(C)C[N@@H+](CCC(=O)[O-])Cc1cc(Br)ccc1[O-] ZINC000833486276 604577360 /nfs/dbraw/zinc/57/73/60/604577360.db2.gz HJTQCJPYDDFEMC-UHFFFAOYSA-N -1 1 330.222 3.087 20 10 EGCDMM CC(C)C[N@H+](CCC(=O)[O-])Cc1cc(Br)ccc1[O-] ZINC000833486276 604577358 /nfs/dbraw/zinc/57/73/58/604577358.db2.gz HJTQCJPYDDFEMC-UHFFFAOYSA-N -1 1 330.222 3.087 20 10 EGCDMM COCCCn1cc(C)c(NCc2c([O-])ccc(Cl)c2F)n1 ZINC000830492779 1292725879 /nfs/dbraw/zinc/72/58/79/1292725879.db2.gz SWUPIAGYAHTJAV-UHFFFAOYSA-N -1 1 327.787 3.338 20 10 EGCDMM O=C1[N-]C(=S)S/C1=C/c1csc(COc2ccccc2)n1 ZINC000098055177 1292962818 /nfs/dbraw/zinc/96/28/18/1292962818.db2.gz CIIAQYPYMYQREE-IZZDOVSWSA-N -1 1 334.447 3.211 20 10 EGCDMM Cc1cccc2c1N[C@@H](c1cccc(Br)c1[O-])NC2=O ZINC000124711089 1293483642 /nfs/dbraw/zinc/48/36/42/1293483642.db2.gz RPXARAINNSZFDE-CQSZACIVSA-N -1 1 333.185 3.317 20 10 EGCDMM O=C(NCc1ccc(N2CCSCC2)cc1)c1c([O-])cccc1F ZINC000131694345 1293697913 /nfs/dbraw/zinc/69/79/13/1293697913.db2.gz DUKWMSKUFNXHQS-UHFFFAOYSA-N -1 1 346.427 3.015 20 10 EGCDMM Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(O)cc2)cc1[N+](=O)[O-] ZINC000194663470 1295998773 /nfs/dbraw/zinc/99/87/73/1295998773.db2.gz GPBGGGBARBKWTN-UHFFFAOYSA-N -1 1 342.760 3.063 20 10 EGCDMM CCCCc1ccc(NC(=S)NN=c2nc(OC)cc(C)[n-]2)cc1 ZINC000747653786 1298816615 /nfs/dbraw/zinc/81/66/15/1298816615.db2.gz GNCSIVODFPOWKA-UHFFFAOYSA-N -1 1 345.472 3.450 20 10 EGCDMM CCCc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(C)=O)cc1 ZINC000758774282 1300953123 /nfs/dbraw/zinc/95/31/23/1300953123.db2.gz OELLOJBDKFGDKA-UHFFFAOYSA-N -1 1 333.409 3.348 20 10 EGCDMM CC(C)c1ocnc1C(=O)NCc1cccc(Br)c1[O-] ZINC000765737120 1302315991 /nfs/dbraw/zinc/31/59/91/1302315991.db2.gz QIKQQIXBTQEZKF-UHFFFAOYSA-N -1 1 339.189 3.196 20 10 EGCDMM COc1cccc(C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765731703 1302315612 /nfs/dbraw/zinc/31/56/12/1302315612.db2.gz KNXXQTJNQDEMIB-UHFFFAOYSA-N -1 1 336.185 3.093 20 10 EGCDMM O=C(NCc1cccc(Br)c1[O-])c1ccc(F)c(F)c1 ZINC000765750871 1302318668 /nfs/dbraw/zinc/31/86/68/1302318668.db2.gz MVUJFPRWQNQNAH-UHFFFAOYSA-N -1 1 342.139 3.363 20 10 EGCDMM O=C(/C=C/c1ccccc1)NCc1cccc(Br)c1[O-] ZINC000765758240 1302319995 /nfs/dbraw/zinc/31/99/95/1302319995.db2.gz UNIJCIGGVAZAMG-MDZDMXLPSA-N -1 1 332.197 3.484 20 10 EGCDMM O=S(=O)([N-]c1ccc(O)cc1)c1ccc2nc(Cl)sc2c1 ZINC000776744731 1304191358 /nfs/dbraw/zinc/19/13/58/1304191358.db2.gz OWJLZZMMUWMPCB-UHFFFAOYSA-N -1 1 340.813 3.456 20 10 EGCDMM O=C(COC(=O)c1occc1-c1ccccc1)c1ccc([O-])c(O)c1 ZINC000782152315 1304922917 /nfs/dbraw/zinc/92/29/17/1304922917.db2.gz SMUBGOILEQFTFF-UHFFFAOYSA-N -1 1 338.315 3.398 20 10 EGCDMM CC(C)Cc1ccccc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784943377 1305296408 /nfs/dbraw/zinc/29/64/08/1305296408.db2.gz NNMSPUALSMUGHH-UHFFFAOYSA-N -1 1 328.364 3.336 20 10 EGCDMM O=C(COC(=O)c1cc2sccc2c(O)c1)c1ccc([O-])c(O)c1 ZINC000786132316 1305521111 /nfs/dbraw/zinc/52/11/11/1305521111.db2.gz SYCRYKMCOCDNRM-UHFFFAOYSA-N -1 1 344.344 3.058 20 10 EGCDMM O=C(NCCSc1ccc(Cl)cc1)c1c(F)ccc(O)c1[O-] ZINC000789944378 1306234640 /nfs/dbraw/zinc/23/46/40/1306234640.db2.gz RKELMQPWHTUAIH-UHFFFAOYSA-N -1 1 341.791 3.412 20 10 EGCDMM O=C(NCc1ccc(C(F)(F)F)cc1)c1c([O-])c(O)ccc1F ZINC000789950081 1306235453 /nfs/dbraw/zinc/23/54/53/1306235453.db2.gz MDJKDHKFOCPPFU-UHFFFAOYSA-N -1 1 329.249 3.186 20 10 EGCDMM CC1(C)CN(Cc2cc(Cl)cc(Br)c2[O-])CC[C@H]1O ZINC000894535905 1308944418 /nfs/dbraw/zinc/94/44/18/1308944418.db2.gz YLOGMWQDAJOIIQ-GFCCVEGCSA-N -1 1 348.668 3.401 20 10 EGCDMM O=C([O-])CC[C@H]1CCCC[N@H+]1Cc1cccc(Br)c1[O-] ZINC000903694766 1317722707 /nfs/dbraw/zinc/72/27/07/1317722707.db2.gz FYTBIXWYZQVOAR-GFCCVEGCSA-N -1 1 342.233 3.374 20 10 EGCDMM NC(=O)Nc1cc(NCc2c([O-])ccc(Cl)c2F)ccc1F ZINC000814299637 1318719639 /nfs/dbraw/zinc/71/96/39/1318719639.db2.gz AUSWSHCRDQKFES-UHFFFAOYSA-N -1 1 327.718 3.427 20 10 EGCDMM O=C(CCSc1ccccc1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000916590809 1319680234 /nfs/dbraw/zinc/68/02/34/1319680234.db2.gz QYKGJNBXIRWEGR-UHFFFAOYSA-N -1 1 332.377 3.006 20 10 EGCDMM C[C@H]1CCc2sc(C(=O)OCC(=O)c3ccc([O-])c(O)c3)cc2C1 ZINC000916607042 1319682540 /nfs/dbraw/zinc/68/25/40/1319682540.db2.gz OCASJKTWMWTQFG-JTQLQIEISA-N -1 1 346.404 3.324 20 10 EGCDMM [O-]c1cc(F)c(Cl)cc1CNc1ccc(COCCO)cc1 ZINC000822521013 1320093687 /nfs/dbraw/zinc/09/36/87/1320093687.db2.gz VMLNJGBUDBJLBL-UHFFFAOYSA-N -1 1 325.767 3.306 20 10 EGCDMM C[C@H](NCc1nnn(C(C)(C)C)n1)c1cccc(C(F)(F)F)c1[O-] ZINC000848561528 1321976260 /nfs/dbraw/zinc/97/62/60/1321976260.db2.gz XSKCKTBNKNEFQW-VIFPVBQESA-N -1 1 343.353 3.003 20 10 EGCDMM C[C@@]1(C(=O)[O-])CCCC[C@H]1[NH2+]Cc1c([O-])cccc1Br ZINC000864510018 1329620288 /nfs/dbraw/zinc/62/02/88/1329620288.db2.gz UNYIJBAAULTWFY-UKRRQHHQSA-N -1 1 342.233 3.278 20 10 EGCDMM CN(C)c1ccc(CN(C)C(=O)Cc2ccc([O-])c(Cl)c2)cc1 ZINC000864634949 1329632704 /nfs/dbraw/zinc/63/27/04/1329632704.db2.gz UIQCOAHRLJOQFF-UHFFFAOYSA-N -1 1 332.831 3.313 20 10 EGCDMM C[C@@H]1C(=O)CCN(C(=O)c2ccc(O)c([O-])c2Cl)C12CCCC2 ZINC001193231990 1367972263 /nfs/dbraw/zinc/97/22/63/1367972263.db2.gz DNSFTBJGXQWXIQ-SNVBAGLBSA-N -1 1 337.803 3.115 20 10 EGCDMM Cc1cc2c(cccc2NC(=O)c2ccc(O)c([O-])c2Cl)nn1 ZINC001193233282 1367972328 /nfs/dbraw/zinc/97/23/28/1367972328.db2.gz XGSMVXJHVJHRII-UHFFFAOYSA-N -1 1 329.743 3.255 20 10 EGCDMM COc1ccc2c(c1)[C@@H](NC(=O)c1ccc(O)c([O-])c1Cl)CC2 ZINC001193247037 1367980065 /nfs/dbraw/zinc/98/00/65/1367980065.db2.gz ISMUYQNICTYARW-ZDUSSCGKSA-N -1 1 333.771 3.177 20 10 EGCDMM [O-]c1cc(F)c(Cl)cc1CNc1cnn(Cc2cccnc2)c1 ZINC001117722151 1371069445 /nfs/dbraw/zinc/06/94/45/1371069445.db2.gz LZTYEEFKWBKSHV-UHFFFAOYSA-N -1 1 332.766 3.437 20 10 EGCDMM Cc1nc2c(s1)CN(Cc1c([O-])ccc3c(C)cc(=O)oc31)CC2 ZINC001139129396 1377834833 /nfs/dbraw/zinc/83/48/33/1377834833.db2.gz XZMACZWFFALDJF-UHFFFAOYSA-N -1 1 342.420 3.130 20 10 EGCDMM CCN(CCNC(=O)OC(C)(C)C)Cc1c(F)ccc(F)c1[O-] ZINC001139687342 1377934355 /nfs/dbraw/zinc/93/43/55/1377934355.db2.gz MKVVRSLOMVCLHE-UHFFFAOYSA-N -1 1 330.375 3.017 20 10 EGCDMM [O-]c1cc(F)c(F)cc1CN1CCN(c2noc3ccccc32)CC1 ZINC001142508630 1378450390 /nfs/dbraw/zinc/45/03/90/1378450390.db2.gz FUZSRKNTGNLQAF-UHFFFAOYSA-N -1 1 345.349 3.134 20 10 EGCDMM [O-]c1cc(F)c(F)cc1CN1Cc2cnn(-c3ccccc3)c2C1 ZINC001142527569 1378454013 /nfs/dbraw/zinc/45/40/13/1378454013.db2.gz ZNLTXBCGFRXBSL-UHFFFAOYSA-N -1 1 327.334 3.372 20 10 EGCDMM Cc1c(Cl)nc(C2CCC2)nc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001159280459 1381749491 /nfs/dbraw/zinc/74/94/91/1381749491.db2.gz RVVYTZSASPKMPQ-UHFFFAOYSA-N -1 1 347.802 3.412 20 10 EGCDMM Cc1sc2ncnc(NCC(=O)c3ccc([O-])c(O)c3)c2c1C ZINC001159277702 1381749857 /nfs/dbraw/zinc/74/98/57/1381749857.db2.gz VOWWKQYPOYRUID-UHFFFAOYSA-N -1 1 329.381 3.014 20 10 EGCDMM O=C(CNc1cccc(OC(F)(F)F)c1F)c1ccc([O-])c(O)c1 ZINC001170314519 1384289354 /nfs/dbraw/zinc/28/93/54/1384289354.db2.gz BXWNBUJSILISGJ-UHFFFAOYSA-N -1 1 345.248 3.430 20 10 EGCDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H]1CCC[C@H](F)C1 ZINC001332094464 1389979409 /nfs/dbraw/zinc/97/94/09/1389979409.db2.gz RVJAONMHGBUVDM-WDEREUQCSA-N -1 1 345.212 3.235 20 10 EGCDMM Fc1ccc(COc2ccc(N3CCCC3)cc2)c(-c2nnn[n-]2)c1 ZINC000822772211 1424317801 /nfs/dbraw/zinc/31/78/01/1424317801.db2.gz UGQSBXHQGZGPKW-UHFFFAOYSA-N -1 1 339.374 3.185 20 10 EGCDMM CCN(CC)c1ccc(CNc2nccc(C)c2-c2nnn[n-]2)cc1 ZINC000825415961 1446526861 /nfs/dbraw/zinc/52/68/61/1446526861.db2.gz GEDCKHBACKHFND-UHFFFAOYSA-N -1 1 337.431 3.028 20 10 EGCDMM COc1cc(Cl)cc(CN2Cc3ccccc3[C@H](C(=O)[O-])C2)c1O ZINC000325603872 951089262 /nfs/dbraw/zinc/08/92/62/951089262.db2.gz PEDHFXNSENKHDT-OAHLLOKOSA-N -1 1 347.798 3.238 20 10 EGCDMM CCOc1ccc(N2CCN(Cc3ccc(C(=O)[O-])cc3)CC2)cc1 ZINC001204158027 960602770 /nfs/dbraw/zinc/60/27/70/960602770.db2.gz GKGUZLVSMPAXNF-UHFFFAOYSA-N -1 1 340.423 3.106 20 10 EGCDMM CN(Cc1cccs1)c1ccc(CN2CC[C@](F)(C(=O)[O-])C2)cc1 ZINC000901516893 980334451 /nfs/dbraw/zinc/33/44/51/980334451.db2.gz GWYUCCMYQOORMF-GOSISDBHSA-N -1 1 348.443 3.383 20 10 EGCDMM CCOCc1cc(CNCc2ccc(C(=O)[O-])cc2F)ccc1OC ZINC000901754720 980485771 /nfs/dbraw/zinc/48/57/71/980485771.db2.gz BVMXEKHCPVFLFS-UHFFFAOYSA-N -1 1 347.386 3.359 20 10 EGCDMM C[N@@H+](Cc1cccc(F)c1[O-])[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001598526132 992723026 /nfs/dbraw/zinc/72/30/26/992723026.db2.gz MVJAWBCFJPCMOG-AWEZNQCLSA-N -1 1 343.276 3.206 20 10 EGCDMM C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N(C)Cc1ccccc1O ZINC000109769497 454836063 /nfs/dbraw/zinc/83/60/63/454836063.db2.gz VGKYNEAYFOEBBL-LFPRZYRFSA-N -1 1 342.483 3.298 20 10 EGCDMM Cc1ccccc1CN(C)C(=O)[C@@H](C)N(C)Cc1ccccc1O ZINC000111236039 454859321 /nfs/dbraw/zinc/85/93/21/454859321.db2.gz WWUWDMGMOSVGES-MRXNPFEDSA-N -1 1 326.440 3.180 20 10 EGCDMM CC[C@H](NCc1nnc2n1CCC2)c1cc(Cl)cc(Cl)c1[O-] ZINC000287868647 456080924 /nfs/dbraw/zinc/08/09/24/456080924.db2.gz XUIQTMCMDFEMEB-LBPRGKRZSA-N -1 1 341.242 3.478 20 10 EGCDMM CN(C)c1ccc(CNC(=O)c2cc(Br)ccc2[O-])cc1 ZINC000016498078 1291174212 /nfs/dbraw/zinc/17/42/12/1291174212.db2.gz VKAZPJHTBFBZGW-UHFFFAOYSA-N -1 1 349.228 3.151 20 10 EGCDMM CN(C)C(=O)c1cccc(NCc2cccc(Br)c2[O-])c1 ZINC000048796434 1291618956 /nfs/dbraw/zinc/61/89/56/1291618956.db2.gz DTFABRLEANOSAE-UHFFFAOYSA-N -1 1 349.228 3.469 20 10 EGCDMM [O-]c1c(Br)cccc1CNc1cccnc1-n1cccn1 ZINC000048796696 1291619088 /nfs/dbraw/zinc/61/90/88/1291619088.db2.gz YAFSODAFFDVLEY-UHFFFAOYSA-N -1 1 345.200 3.348 20 10 EGCDMM O=C(CSc1ccc(Br)cn1)c1ccc([O-])c(O)c1 ZINC000052914788 1291714950 /nfs/dbraw/zinc/71/49/50/1291714950.db2.gz ASEAENWJAQEBDB-UHFFFAOYSA-N -1 1 340.198 3.230 20 10 EGCDMM CC(C)C[C@@H]1C[C@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000830529313 1292729187 /nfs/dbraw/zinc/72/91/87/1292729187.db2.gz HHQCMNZGXXQUJH-VXGBXAGGSA-N -1 1 326.234 3.453 20 10 EGCDMM COC(=O)C1(N(C)Cc2cc(Cl)cc(C(C)=O)c2[O-])CCCC1 ZINC000159497237 1294237780 /nfs/dbraw/zinc/23/77/80/1294237780.db2.gz SNUULLFZXMNXTA-UHFFFAOYSA-N -1 1 339.819 3.166 20 10 EGCDMM CC(=O)c1cc(Cl)cc(CN(C)CC(=O)OC(C)(C)C)c1[O-] ZINC000177095786 1294652999 /nfs/dbraw/zinc/65/29/99/1294652999.db2.gz IYKUSNZHOCAYKL-UHFFFAOYSA-N -1 1 327.808 3.022 20 10 EGCDMM O=C(c1cc(F)ccc1[O-])N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000179941521 1294844141 /nfs/dbraw/zinc/84/41/41/1294844141.db2.gz VZCNXAOGSKNEES-OAHLLOKOSA-N -1 1 345.370 3.058 20 10 EGCDMM CC(C)(C)OC(=O)N[C@H]1CCCN(Cc2ccc(F)c(F)c2[O-])C1 ZINC000876585131 1298849498 /nfs/dbraw/zinc/84/94/98/1298849498.db2.gz ZKVBYRMUNMXMRM-LBPRGKRZSA-N -1 1 342.386 3.160 20 10 EGCDMM CC(=O)c1cc(Cl)cc(CN2CCN(Cc3ccco3)CC2)c1[O-] ZINC000750037218 1299327182 /nfs/dbraw/zinc/32/71/82/1299327182.db2.gz PLUHYFPZCRRECL-UHFFFAOYSA-N -1 1 348.830 3.159 20 10 EGCDMM O=C(NCc1cccc(Br)c1[O-])c1c[nH]cc1C1CC1 ZINC000879774166 1300730149 /nfs/dbraw/zinc/73/01/49/1300730149.db2.gz FCOILPVBPMONRN-UHFFFAOYSA-N -1 1 335.201 3.290 20 10 EGCDMM O=C(NCc1cccc(Br)c1[O-])Nc1ccc(F)nc1 ZINC000765316948 1302244972 /nfs/dbraw/zinc/24/49/72/1302244972.db2.gz RYQSXCJKSQNYNS-UHFFFAOYSA-N -1 1 340.152 3.011 20 10 EGCDMM COc1c([O-])c(C[NH2+]Cc2ccc([C@H]3C[C@H]3C)o2)ccc1[N+](=O)[O-] ZINC000774974977 1303885393 /nfs/dbraw/zinc/88/53/93/1303885393.db2.gz GPTQVDHYDYELKS-MFKMUULPSA-N -1 1 332.356 3.315 20 10 EGCDMM COCc1ccccc1S(=O)(=O)[N-]c1cc(C)c(O)c(C)c1C ZINC000775291194 1303934910 /nfs/dbraw/zinc/93/49/10/1303934910.db2.gz FCBQJMOWZXTKFS-UHFFFAOYSA-N -1 1 335.425 3.265 20 10 EGCDMM Cc1ccc(NCc2cccc(Cl)c2[O-])c(OCC(=O)N(C)C)c1 ZINC000775748648 1304028047 /nfs/dbraw/zinc/02/80/47/1304028047.db2.gz KGKHWZOKPVJBIN-UHFFFAOYSA-N -1 1 348.830 3.433 20 10 EGCDMM O=C(OCc1ccccc1)[C@@H]1CCCN1Cc1cccc(F)c1[O-] ZINC000778995800 1304516545 /nfs/dbraw/zinc/51/65/45/1304516545.db2.gz JMRXPGOXPDPCDC-KRWDZBQOSA-N -1 1 329.371 3.239 20 10 EGCDMM CCSc1ccccc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000782601770 1304992696 /nfs/dbraw/zinc/99/26/96/1304992696.db2.gz TUONJCCVLWSGST-UHFFFAOYSA-N -1 1 332.377 3.250 20 10 EGCDMM O=C(COC(=O)c1ccccc1OC1CCC1)c1ccc([O-])c(O)c1 ZINC000783724814 1305133759 /nfs/dbraw/zinc/13/37/59/1305133759.db2.gz IULJMELZODETKB-UHFFFAOYSA-N -1 1 342.347 3.069 20 10 EGCDMM CC[C@@H](Sc1ccccc1)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000785928256 1305473113 /nfs/dbraw/zinc/47/31/13/1305473113.db2.gz XHZYMTKFFFKOLW-QGZVFWFLSA-N -1 1 346.404 3.395 20 10 EGCDMM O=C(CCSCc1ccccc1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000795842929 1309846900 /nfs/dbraw/zinc/84/69/00/1309846900.db2.gz DBYAIVJPABKXMF-UHFFFAOYSA-N -1 1 346.404 3.147 20 10 EGCDMM Cc1ccc(F)c(S(=O)(=O)Nc2cc(Cl)c([O-])cc2F)c1 ZINC000808115220 1317627074 /nfs/dbraw/zinc/62/70/74/1317627074.db2.gz TUZOPZBJZJTMAU-UHFFFAOYSA-N -1 1 333.743 3.433 20 10 EGCDMM NC(=O)CSc1ccccc1NCc1cc(Cl)c(F)cc1[O-] ZINC000816525533 1319175777 /nfs/dbraw/zinc/17/57/77/1319175777.db2.gz XNBZEGZJHHFGOA-UHFFFAOYSA-N -1 1 340.807 3.374 20 10 EGCDMM O=C(COC(=O)c1cccc(C(F)(F)F)c1)c1ccc([O-])c(O)c1 ZINC000916617591 1319686109 /nfs/dbraw/zinc/68/61/09/1319686109.db2.gz LXGXDGNZKXCENS-UHFFFAOYSA-N -1 1 340.253 3.156 20 10 EGCDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000827601060 1320461396 /nfs/dbraw/zinc/46/13/96/1320461396.db2.gz TXPFLEXGBYYESA-SUZMYJTESA-N -1 1 339.233 3.143 20 10 EGCDMM Cc1cc(S(=O)(=O)Nc2cc(F)c([O-])cc2F)ccc1Cl ZINC001185529553 1387740649 /nfs/dbraw/zinc/74/06/49/1387740649.db2.gz GXRDKXUPTBJXNA-UHFFFAOYSA-N -1 1 333.743 3.433 20 10 EGCDMM CCc1ccc(OC)c(S(=O)(=O)Nc2cc(F)c([O-])cc2F)c1 ZINC001192816676 1367881156 /nfs/dbraw/zinc/88/11/56/1367881156.db2.gz UNJAAYBZZMMYCV-UHFFFAOYSA-N -1 1 343.351 3.042 20 10 EGCDMM O=C(Nc1cnc2ccc(O)cc2c1)c1ccc(O)c([O-])c1Cl ZINC001193220335 1367969630 /nfs/dbraw/zinc/96/96/30/1367969630.db2.gz SJGXAOGHNOGTHX-UHFFFAOYSA-N -1 1 330.727 3.257 20 10 EGCDMM CC(C)(NC(=O)c1ccc(O)c([O-])c1Cl)c1cc(Cl)ccn1 ZINC001193255486 1367980664 /nfs/dbraw/zinc/98/06/64/1367980664.db2.gz YVNZFSVPGAEZHE-UHFFFAOYSA-N -1 1 341.194 3.465 20 10 EGCDMM COc1cc(OC)cc(-c2noc(-c3ccc(O)c([O-])c3Cl)n2)c1 ZINC001216952401 1373369985 /nfs/dbraw/zinc/36/99/85/1373369985.db2.gz YPQABERDDSCLFE-UHFFFAOYSA-N -1 1 348.742 3.485 20 10 EGCDMM [O-]c1c(O)ccc(-c2nc(-c3ccc4c(c3)OCCO4)no2)c1Cl ZINC001216952393 1373370498 /nfs/dbraw/zinc/37/04/98/1373370498.db2.gz YIWQTMYCDMGPOF-UHFFFAOYSA-N -1 1 346.726 3.239 20 10 EGCDMM C[C@@H](Oc1c([O-])ccc2c1C(=O)c1ccccc1C2=O)c1cncnc1 ZINC001227580078 1375446508 /nfs/dbraw/zinc/44/65/08/1375446508.db2.gz GGVCZXRPDVDWPI-LLVKDONJSA-N -1 1 346.342 3.098 20 10 EGCDMM CC(C)(C)OC(=O)N1CCCC12CN(Cc1cccc(F)c1[O-])C2 ZINC001138123686 1377680973 /nfs/dbraw/zinc/68/09/73/1377680973.db2.gz HBRUTHAHWXEYMJ-UHFFFAOYSA-N -1 1 336.407 3.117 20 10 EGCDMM C[C@@H]1C[C@H](O)CCN1Cc1cc(Cl)cc(Br)c1[O-] ZINC001141373332 1378313538 /nfs/dbraw/zinc/31/35/38/1378313538.db2.gz YYUNDLXWBNTAGO-LDYMZIIASA-N -1 1 334.641 3.153 20 10 EGCDMM CC[C@H](C)c1nc2[nH]ccc2c(NCC(=O)c2ccc([O-])c(O)c2)n1 ZINC001159280206 1381749545 /nfs/dbraw/zinc/74/95/45/1381749545.db2.gz GBXHUUBNFVYCOS-JTQLQIEISA-N -1 1 340.383 3.177 20 10 EGCDMM CC(C)c1ccc2ncnc(NCC(=O)c3ccc([O-])c(O)c3)c2c1 ZINC001159280190 1381749631 /nfs/dbraw/zinc/74/96/31/1381749631.db2.gz FMTFFJIYVFOQKF-UHFFFAOYSA-N -1 1 337.379 3.459 20 10 EGCDMM O=C(CNc1ccc(OCC(F)(F)F)cc1)c1ccc([O-])c(O)c1 ZINC001170322185 1384290758 /nfs/dbraw/zinc/29/07/58/1384290758.db2.gz GMXBXQSDXRXFEO-UHFFFAOYSA-N -1 1 341.285 3.334 20 10 EGCDMM [O-]c1ccc(Cl)c(F)c1CNc1cnn(Cc2cccnc2)c1 ZINC001321863056 1386999538 /nfs/dbraw/zinc/99/95/38/1386999538.db2.gz IMURNBDWALWHLF-UHFFFAOYSA-N -1 1 332.766 3.437 20 10 EGCDMM CC(C)(C)C[N@H+](CC(=O)[O-])Cc1c([O-])cccc1Br ZINC000706626875 954953278 /nfs/dbraw/zinc/95/32/78/954953278.db2.gz ITSUHKMDDXKFEY-UHFFFAOYSA-N -1 1 330.222 3.087 20 10 EGCDMM CC(C)(C)C[N@@H+](CC(=O)[O-])Cc1c([O-])cccc1Br ZINC000706626875 954953283 /nfs/dbraw/zinc/95/32/83/954953283.db2.gz ITSUHKMDDXKFEY-UHFFFAOYSA-N -1 1 330.222 3.087 20 10 EGCDMM C[C@@H](CNC(=O)[C@H](C)N(C)Cc1ccccc1O)c1ccccc1 ZINC000109769539 454836103 /nfs/dbraw/zinc/83/61/03/454836103.db2.gz QKZYWSIVJULJKG-HOTGVXAUSA-N -1 1 326.440 3.132 20 10 EGCDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H]1CC=CCC1 ZINC000277760793 455658314 /nfs/dbraw/zinc/65/83/14/455658314.db2.gz OKQGAPLAVCXHKD-LLVKDONJSA-N -1 1 325.206 3.063 20 10 EGCDMM O=C(NC[C@@H]1CCCO[C@H]1c1ccccc1)c1c(F)ccc(O)c1[O-] ZINC000294896085 455831180 /nfs/dbraw/zinc/83/11/80/455831180.db2.gz RFSCWRYFKKDHGR-UGSOOPFHSA-N -1 1 345.370 3.135 20 10 EGCDMM COc1cccc(C2CCN(C(=O)c3c(F)ccc(O)c3[O-])CC2)c1 ZINC000295330905 455846172 /nfs/dbraw/zinc/84/61/72/455846172.db2.gz UBIIUKBEMWDWKD-UHFFFAOYSA-N -1 1 345.370 3.265 20 10 EGCDMM C[C@H](NCc1cc([N+](=O)[O-])ccc1[O-])c1nccn1-c1ccccc1 ZINC000377403533 458499770 /nfs/dbraw/zinc/49/97/70/458499770.db2.gz XCRDBCTYLKOHEL-ZDUSSCGKSA-N -1 1 338.367 3.337 20 10 EGCDMM COc1cc(C=C2SC(=S)[N-]C2=O)ccc1OCC(F)(F)F ZINC000750901104 574718933 /nfs/dbraw/zinc/71/89/33/574718933.db2.gz SXCPZJGMLUSRRF-YHYXMXQVSA-N -1 1 349.355 3.125 20 10 EGCDMM C[C@@H]1C[N@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C[C@H]1C(=O)[O-] ZINC000828456255 601818907 /nfs/dbraw/zinc/81/89/07/601818907.db2.gz JVTYSUJLNOQNNY-DGCLKSJQSA-N -1 1 329.396 3.170 20 10 EGCDMM C[C@@H]1C[N@@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C[C@H]1C(=O)[O-] ZINC000828456255 601818909 /nfs/dbraw/zinc/81/89/09/601818909.db2.gz JVTYSUJLNOQNNY-DGCLKSJQSA-N -1 1 329.396 3.170 20 10 EGCDMM O=C([O-])C[C@H]1CCC[N@@H+]1Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000833211475 604983239 /nfs/dbraw/zinc/98/32/39/604983239.db2.gz ZKVHDFOTRXSMSN-GFCCVEGCSA-N -1 1 329.396 3.456 20 10 EGCDMM O=C([O-])C[C@H]1CCC[N@H+]1Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000833211475 604983241 /nfs/dbraw/zinc/98/32/41/604983241.db2.gz ZKVHDFOTRXSMSN-GFCCVEGCSA-N -1 1 329.396 3.456 20 10 EGCDMM Cc1c(NCc2cccc(Br)c2[O-])cccc1C(N)=O ZINC000048796099 1291618439 /nfs/dbraw/zinc/61/84/39/1291618439.db2.gz MAVPNCFFMKRNFB-UHFFFAOYSA-N -1 1 335.201 3.174 20 10 EGCDMM COCCN(Cc1ccco1)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000177251888 1294661919 /nfs/dbraw/zinc/66/19/19/1294661919.db2.gz MBBDHVIGZKLQOI-UHFFFAOYSA-N -1 1 337.803 3.490 20 10 EGCDMM CC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)c1 ZINC000187060975 1295365017 /nfs/dbraw/zinc/36/50/17/1295365017.db2.gz SNQSGKPNFNXDFV-UHFFFAOYSA-N -1 1 333.409 3.321 20 10 EGCDMM Cc1nn(Cc2ccc(C)cc2)c(C)c1C=C1SC(=S)[N-]C1=O ZINC000208018274 1296096699 /nfs/dbraw/zinc/09/66/99/1296096699.db2.gz OJHGDYXIBFBLJJ-OVCLIPMQSA-N -1 1 343.477 3.345 20 10 EGCDMM C[C@H](CCCCC(=O)[O-])[NH2+]Cc1c([O-])cccc1Br ZINC000864504838 1329619428 /nfs/dbraw/zinc/61/94/28/1329619428.db2.gz QDQPCJBRFMLMBQ-SNVBAGLBSA-N -1 1 330.222 3.278 20 10 EGCDMM C[C@@H](Nc1ccc2c(c1)n(C)c(=O)n2C)c1cc(F)cc(F)c1[O-] ZINC000756830963 1300572008 /nfs/dbraw/zinc/57/20/08/1300572008.db2.gz JDBDXLOOCFBOGG-SECBINFHSA-N -1 1 333.338 3.034 20 10 EGCDMM COCCOc1ccc(NCc2cc(F)cc(F)c2[O-])cc1F ZINC000882919618 1302168490 /nfs/dbraw/zinc/16/84/90/1302168490.db2.gz NOMRFKOXRMODLO-UHFFFAOYSA-N -1 1 327.302 3.447 20 10 EGCDMM Cc1ccnc(NC(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765343479 1302250105 /nfs/dbraw/zinc/25/01/05/1302250105.db2.gz SUXLBLCNLKGVMB-UHFFFAOYSA-N -1 1 336.189 3.180 20 10 EGCDMM CCOC(=O)[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000769078624 1303043618 /nfs/dbraw/zinc/04/36/18/1303043618.db2.gz RSCWSXAZWJDYSL-SNVBAGLBSA-N -1 1 332.227 3.474 20 10 EGCDMM O=C(NCC1(Sc2ccccc2)CC1)c1c(F)ccc(O)c1[O-] ZINC000789977542 1306241835 /nfs/dbraw/zinc/24/18/35/1306241835.db2.gz VYVOQTHHFPWYRX-UHFFFAOYSA-N -1 1 333.384 3.292 20 10 EGCDMM Cc1ccc(NCc2cccc(Cl)c2[O-])cc1N1C(=O)CNC1=O ZINC000793357003 1309353177 /nfs/dbraw/zinc/35/31/77/1309353177.db2.gz KGJJLKNXBYDMEF-UHFFFAOYSA-N -1 1 345.786 3.022 20 10 EGCDMM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(O)cc2C)c1 ZINC000811684467 1318227259 /nfs/dbraw/zinc/22/72/59/1318227259.db2.gz KZOTWOYHWLVEFW-UHFFFAOYSA-N -1 1 341.816 3.301 20 10 EGCDMM CC(=O)c1cc(Cl)cc(C[N@H+]2CCCC[C@@H]2CCC(=O)[O-])c1[O-] ZINC000818329103 1319527539 /nfs/dbraw/zinc/52/75/39/1319527539.db2.gz NOTWITHWPIQJSK-CQSZACIVSA-N -1 1 339.819 3.468 20 10 EGCDMM Cc1noc([C@@H](C)N(C)Cc2cc(C)cc(Br)c2[O-])n1 ZINC000848926218 1322048123 /nfs/dbraw/zinc/04/81/23/1322048123.db2.gz SCZGEVWWAHKJDN-SECBINFHSA-N -1 1 340.221 3.348 20 10 EGCDMM CC(C)CN1C(=O)C(=CNc2ccccc2C(C)C)C(=O)[N-]C1=S ZINC000920976545 1322239997 /nfs/dbraw/zinc/23/99/97/1322239997.db2.gz XCDQPECHTNNUSN-NTEUORMPSA-N -1 1 345.468 3.005 20 10 EGCDMM CC(=O)c1cc(Cl)cc(CNC(C)(C)C(=O)OC(C)(C)C)c1[O-] ZINC000859964265 1329119285 /nfs/dbraw/zinc/11/92/85/1329119285.db2.gz FGBPUXWOJNPNGK-UHFFFAOYSA-N -1 1 341.835 3.458 20 10 EGCDMM CCOc1ccc(C)cc1S(=O)(=O)Nc1c(F)cc([O-])cc1F ZINC001191829005 1367605739 /nfs/dbraw/zinc/60/57/39/1367605739.db2.gz OMHOSLJQWTUPRT-UHFFFAOYSA-N -1 1 343.351 3.178 20 10 EGCDMM O=C(NCCc1cc(F)cc(F)c1)c1ccc(O)c([O-])c1Cl ZINC001193247363 1367980033 /nfs/dbraw/zinc/98/00/33/1367980033.db2.gz VZFGQILOJCQNOZ-UHFFFAOYSA-N -1 1 327.714 3.002 20 10 EGCDMM Cc1cccc(Cl)c1S(=O)(=O)Nc1cc(F)c([O-])cc1F ZINC001195317293 1368419776 /nfs/dbraw/zinc/41/97/76/1368419776.db2.gz TVBKSVONFAGAPC-UHFFFAOYSA-N -1 1 333.743 3.433 20 10 EGCDMM [O-]c1c(O)ccc(-c2nc(-c3ccc4nccnc4c3)no2)c1Cl ZINC001216951290 1373370281 /nfs/dbraw/zinc/37/02/81/1373370281.db2.gz CXMIKBAXYCCQAR-UHFFFAOYSA-N -1 1 340.726 3.411 20 10 EGCDMM O=C(c1ccc(F)cc1)c1ccccc1[N-]S(=O)(=O)CC1CC1 ZINC001188926777 1388412120 /nfs/dbraw/zinc/41/21/20/1388412120.db2.gz JAKMYWWZJBTHCM-UHFFFAOYSA-N -1 1 333.384 3.208 20 10 EGCDMM [O-]c1cc(O)c(CN2CC(Oc3ccc(F)c(F)c3)C2)cc1Cl ZINC001232268719 1376427599 /nfs/dbraw/zinc/42/75/99/1376427599.db2.gz QELAWZBOSOJQBL-UHFFFAOYSA-N -1 1 341.741 3.293 20 10 EGCDMM [O-]c1c(F)cccc1CN1CC[C@@H](N2CCCCC2)C(F)(F)C1 ZINC001138130563 1377682491 /nfs/dbraw/zinc/68/24/91/1377682491.db2.gz CRLRDTVYVREFAR-OAHLLOKOSA-N -1 1 328.378 3.227 20 10 EGCDMM O=C(OCc1ccccc1)[C@@H]1CCCN1Cc1cc(F)c(F)cc1[O-] ZINC001142508842 1378451258 /nfs/dbraw/zinc/45/12/58/1378451258.db2.gz NQKWRHHJFJGOQU-KRWDZBQOSA-N -1 1 347.361 3.378 20 10 EGCDMM Cc1nc(OCC(C)C)ccc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001170320944 1384290619 /nfs/dbraw/zinc/29/06/19/1384290619.db2.gz QRWURBCCMAZFTJ-UHFFFAOYSA-N -1 1 330.384 3.131 20 10 EGCDMM COc1ccc(N(C)Cc2ccc(-c3nnn[n-]3)cc2F)cc1Cl ZINC000821828367 1426708432 /nfs/dbraw/zinc/70/84/32/1426708432.db2.gz UFTBTUMSKHWWOW-UHFFFAOYSA-N -1 1 347.781 3.304 20 10 EGCDMM CN(C)c1cc(F)c(CN2CCC(CCC(=O)[O-])CC2)cc1F ZINC001573991229 961829808 /nfs/dbraw/zinc/82/98/08/961829808.db2.gz DBVLTPIZARQNAO-UHFFFAOYSA-N -1 1 326.387 3.108 20 10 EGCDMM CN(Cc1ccc(N2CCCCC2)cc1)Cc1cccc(C(=O)[O-])n1 ZINC001598519413 992660998 /nfs/dbraw/zinc/66/09/98/992660998.db2.gz ZQLPOFLDAITUQL-UHFFFAOYSA-N -1 1 339.439 3.402 20 10 EGCDMM C[C@H](C(=O)NC[C@@H](C)c1ccccc1)N(C)Cc1ccccc1O ZINC000109769536 454835325 /nfs/dbraw/zinc/83/53/25/454835325.db2.gz QKZYWSIVJULJKG-HZPDHXFCSA-N -1 1 326.440 3.132 20 10 EGCDMM C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1c(F)ccc(O)c1[O-] ZINC000295440839 455850079 /nfs/dbraw/zinc/85/00/79/455850079.db2.gz XFOGPDITEZJICM-OCCSQVGLSA-N -1 1 329.371 3.330 20 10 EGCDMM CC1(C)CN(C(=O)c2c(F)ccc(O)c2[O-])C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000296326628 455909690 /nfs/dbraw/zinc/90/96/90/455909690.db2.gz QMHRSXZVWWLFQF-UFYHVXEKSA-N -1 1 349.402 3.047 20 10 EGCDMM COc1c([O-])c(C[N@H+]2C[C@@H](C)C[C@H]2c2cccnc2)ccc1[N+](=O)[O-] ZINC000364755941 457686932 /nfs/dbraw/zinc/68/69/32/457686932.db2.gz CUAQKAKWORQERM-LRDDRELGSA-N -1 1 343.383 3.287 20 10 EGCDMM C[C@@H](NCc1cc([N+](=O)[O-])ccc1[O-])c1nccn1-c1ccccc1 ZINC000377403532 458499586 /nfs/dbraw/zinc/49/95/86/458499586.db2.gz XCRDBCTYLKOHEL-CYBMUJFWSA-N -1 1 338.367 3.337 20 10 EGCDMM CSc1ccc([O-])c(C(=O)N2CCOc3cc(N(C)C)ccc32)c1 ZINC000611657094 460423443 /nfs/dbraw/zinc/42/34/43/460423443.db2.gz IRJXMABJTIFDLW-UHFFFAOYSA-N -1 1 344.436 3.219 20 10 EGCDMM COc1ccc2cc(/C=C3/C(=O)[N-]N(c4ccccc4)C3=O)ccc2c1 ZINC000726876460 574574963 /nfs/dbraw/zinc/57/49/63/574574963.db2.gz SHFXYECNBJVEFM-UNOMPAQXSA-N -1 1 344.370 3.310 20 10 EGCDMM COCCC[C@H](Cc1ccccc1)NC(=O)c1c(F)ccc(O)c1[O-] ZINC000830909291 1292782927 /nfs/dbraw/zinc/78/29/27/1292782927.db2.gz YUVCBDMLBROCSN-CQSZACIVSA-N -1 1 347.386 3.005 20 10 EGCDMM C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc2ccccc2cc1[O-] ZINC000185388515 1295260988 /nfs/dbraw/zinc/26/09/88/1295260988.db2.gz CSLFPNMFAMAMNC-GFCCVEGCSA-N -1 1 337.375 3.318 20 10 EGCDMM COc1cc(C)[n-]c(=NNC(=S)Nc2cccc(Cl)c2C)n1 ZINC000747655001 1298818270 /nfs/dbraw/zinc/81/82/70/1298818270.db2.gz UVVWFFCHSQLPAP-UHFFFAOYSA-N -1 1 337.836 3.069 20 10 EGCDMM C[C@H](NCc1nccn1C)c1cc(Br)cc(Cl)c1[O-] ZINC000756539894 1300516795 /nfs/dbraw/zinc/51/67/95/1300516795.db2.gz VKHYSEPCISRWIQ-QMMMGPOBSA-N -1 1 344.640 3.392 20 10 EGCDMM COc1ccccc1C(=O)NCc1cccc(Br)c1[O-] ZINC000765732085 1302314850 /nfs/dbraw/zinc/31/48/50/1302314850.db2.gz PCOLYIJUXVAPSF-UHFFFAOYSA-N -1 1 336.185 3.093 20 10 EGCDMM CS[C@@H](C)CCC(=O)NCc1cccc(Br)c1[O-] ZINC000765734936 1302315634 /nfs/dbraw/zinc/31/56/34/1302315634.db2.gz ABIMMZRQVXBXSZ-VIFPVBQESA-N -1 1 332.263 3.303 20 10 EGCDMM O=C(Cc1ccccc1F)NCc1cccc(Br)c1[O-] ZINC000765754233 1302318306 /nfs/dbraw/zinc/31/83/06/1302318306.db2.gz SXQGWSTYGPZVMO-UHFFFAOYSA-N -1 1 338.176 3.153 20 10 EGCDMM CC(=O)c1cc(F)cc(C[N@H+](C)[C@@H](CO)c2ccccc2C)c1O ZINC000886433291 1303466258 /nfs/dbraw/zinc/46/62/58/1303466258.db2.gz FWFUWUSDBUTOTM-SFHVURJKSA-N -1 1 331.387 3.208 20 10 EGCDMM Cn1c(CNCc2cc([N+](=O)[O-])ccc2[O-])nc2cccc(Cl)c21 ZINC000775319174 1303938463 /nfs/dbraw/zinc/93/84/63/1303938463.db2.gz RGNGZKAFTGQTDY-UHFFFAOYSA-N -1 1 346.774 3.130 20 10 EGCDMM Cc1cc(Br)c([O-])c(CN2CCO[C@@H](C(C)C)C2)c1 ZINC000781920480 1304891297 /nfs/dbraw/zinc/89/12/97/1304891297.db2.gz KMHSWOSIMLKJBS-CQSZACIVSA-N -1 1 328.250 3.320 20 10 EGCDMM Cc1nc(C(C)(C)C)sc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783302866 1305079684 /nfs/dbraw/zinc/07/96/84/1305079684.db2.gz ZXOBCJXNDZQNAL-UHFFFAOYSA-N -1 1 349.408 3.200 20 10 EGCDMM Cc1ccccc1[C@@H](C)CC(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783691435 1305129031 /nfs/dbraw/zinc/12/90/31/1305129031.db2.gz UTBSJBRPVPXWKL-ZDUSSCGKSA-N -1 1 328.364 3.326 20 10 EGCDMM CC[C@@H](C(=O)OCC(=O)c1ccc([O-])c(O)c1)c1ccc(F)cc1 ZINC000784735268 1305278411 /nfs/dbraw/zinc/27/84/11/1305278411.db2.gz PTCYNZXVUMKELV-CQSZACIVSA-N -1 1 332.327 3.157 20 10 EGCDMM CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000893985265 1306163501 /nfs/dbraw/zinc/16/35/01/1306163501.db2.gz ZWFLTPKAUQMOKV-LLVKDONJSA-N -1 1 342.386 3.017 20 10 EGCDMM CC1(O)CCN(Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000894031075 1306183283 /nfs/dbraw/zinc/18/32/83/1306183283.db2.gz NUTIMPQUNLPIDV-UHFFFAOYSA-N -1 1 334.641 3.155 20 10 EGCDMM O=C(NCCSCc1ccccc1F)c1c(F)ccc(O)c1[O-] ZINC000789943819 1306234443 /nfs/dbraw/zinc/23/44/43/1306234443.db2.gz HHRSZWJGWYJYCJ-UHFFFAOYSA-N -1 1 339.363 3.039 20 10 EGCDMM C[C@H](NC(=O)c1c(F)ccc(O)c1[O-])c1cccc(OC(F)F)c1 ZINC000789957268 1306237493 /nfs/dbraw/zinc/23/74/93/1306237493.db2.gz MMKHSBOVINDKCQ-QMMMGPOBSA-N -1 1 341.285 3.329 20 10 EGCDMM COCc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2SC)cc1 ZINC000792702868 1309212193 /nfs/dbraw/zinc/21/21/93/1309212193.db2.gz GOGFEZCUUQRZPU-UHFFFAOYSA-N -1 1 339.438 3.061 20 10 EGCDMM C[C@H]1CN(Cc2c([O-])ccc(Cl)c2F)c2ccccc2C(=O)N1 ZINC000811509314 1318188455 /nfs/dbraw/zinc/18/84/55/1318188455.db2.gz OXUDLLJWVNNOFO-JTQLQIEISA-N -1 1 334.778 3.323 20 10 EGCDMM [O-]c1cc(F)c(Cl)cc1CNc1cnn(Cc2ccccn2)c1 ZINC000816562869 1319182911 /nfs/dbraw/zinc/18/29/11/1319182911.db2.gz BYHYUYITCCKXHH-UHFFFAOYSA-N -1 1 332.766 3.437 20 10 EGCDMM Cc1[nH]c2ccc(C(=O)OCC(=O)c3ccc([O-])c(O)c3)cc2c1C ZINC000916608672 1319684178 /nfs/dbraw/zinc/68/41/78/1319684178.db2.gz CHDFPSGLODZOKL-UHFFFAOYSA-N -1 1 339.347 3.236 20 10 EGCDMM CC(C)(C)OCc1cccc(CNC(=O)c2c(F)ccc(O)c2[O-])c1 ZINC000825688327 1320355257 /nfs/dbraw/zinc/35/52/57/1320355257.db2.gz JURPASZHOBRHPW-UHFFFAOYSA-N -1 1 347.386 3.482 20 10 EGCDMM CCC1(C(=O)NCC(=O)c2ccc([O-])c(O)c2)CCC(F)(F)CC1 ZINC001184653591 1387503774 /nfs/dbraw/zinc/50/37/74/1387503774.db2.gz NFQOYWINQXPZGS-UHFFFAOYSA-N -1 1 341.354 3.002 20 10 EGCDMM O=C(c1ccncc1)c1ccccc1[N-]S(=O)(=O)CC1CCCC1 ZINC001191535682 1367523287 /nfs/dbraw/zinc/52/32/87/1367523287.db2.gz RPPKVRYXWRNQGO-UHFFFAOYSA-N -1 1 344.436 3.245 20 10 EGCDMM O=C(N[C@H](c1cncc(F)c1)C1CC1)c1ccc(O)c([O-])c1Cl ZINC001193246805 1367980039 /nfs/dbraw/zinc/98/00/39/1367980039.db2.gz CAXPMHDABMHOCP-AWEZNQCLSA-N -1 1 336.750 3.166 20 10 EGCDMM O=C(NCc1ccc(-c2c[nH]cn2)cc1)c1ccc(O)c([O-])c1Cl ZINC001193255291 1367980865 /nfs/dbraw/zinc/98/08/65/1367980865.db2.gz SXDUSOQRFLIHKO-UHFFFAOYSA-N -1 1 343.770 3.071 20 10 EGCDMM O=C1CC[C@@]2(CCCN(Cc3cc(Cl)cc(Cl)c3[O-])C2)O1 ZINC001203581900 1370178030 /nfs/dbraw/zinc/17/80/30/1370178030.db2.gz DKQIVIAZOOKYKG-OAHLLOKOSA-N -1 1 330.211 3.371 20 10 EGCDMM CC(C)N(CC(=O)c1ccccc1)Cc1ccc(C(=O)[O-])cc1O ZINC001231455654 1376245638 /nfs/dbraw/zinc/24/56/38/1376245638.db2.gz STMHZPMBKXUVNG-UHFFFAOYSA-N -1 1 327.380 3.184 20 10 EGCDMM [O-]c1ccc(F)c(F)c1CN1CCN(c2nc3ccccc3o2)CC1 ZINC001233334595 1376619024 /nfs/dbraw/zinc/61/90/24/1376619024.db2.gz MWZRMLXIDKGGEO-UHFFFAOYSA-N -1 1 345.349 3.134 20 10 EGCDMM C[C@@H]1CN(C(=O)c2ccccc2)CCN1Cc1c([O-])ccc(F)c1F ZINC001233336412 1376621662 /nfs/dbraw/zinc/62/16/62/1376621662.db2.gz KPZVWJLTXBQGMZ-CYBMUJFWSA-N -1 1 346.377 3.017 20 10 EGCDMM Cc1cc(=O)oc2c1ccc([O-])c2CN1CCC(=O)[C@H]2CCCC[C@@H]21 ZINC001139126255 1377833813 /nfs/dbraw/zinc/83/38/13/1377833813.db2.gz CTSXJAVQWOADHI-HOCLYGCPSA-N -1 1 341.407 3.141 20 10 EGCDMM Cc1c(Cl)nc(CC(C)C)nc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001159280203 1381750074 /nfs/dbraw/zinc/75/00/74/1381750074.db2.gz FXVNQTMDSZHZLQ-UHFFFAOYSA-N -1 1 349.818 3.343 20 10 EGCDMM CC(C)n1ncc(NCc2cc(Cl)c3cccnc3c2[O-])cc1=O ZINC001168525351 1383930005 /nfs/dbraw/zinc/93/00/05/1383930005.db2.gz BHIOHFXINLDYMP-UHFFFAOYSA-N -1 1 344.802 3.344 20 10 EGCDMM O=C(CNc1ccc(O[C@@H]2CCCCO2)cc1)c1ccc([O-])c(O)c1 ZINC001170322122 1384290526 /nfs/dbraw/zinc/29/05/26/1384290526.db2.gz FLDCDHGDMQRKCS-LJQANCHMSA-N -1 1 343.379 3.298 20 10 EGCDMM C[C@@]1(CO)CCCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001350310280 1391444935 /nfs/dbraw/zinc/44/49/35/1391444935.db2.gz SFSGGOPJAASJCL-CQSZACIVSA-N -1 1 348.668 3.403 20 10 EGCDMM CN(C)c1ccc(CNc2ccc(Cl)cc2-c2nnn[n-]2)cc1 ZINC000736781027 1441494748 /nfs/dbraw/zinc/49/47/48/1441494748.db2.gz VAJAZKDLKOISLS-UHFFFAOYSA-N -1 1 328.807 3.198 20 10 EGCDMM CCOCCC[N@@H+](Cc1c([O-])cc(C)cc1Cl)C[C@@H](C)C(=O)[O-] ZINC001596914766 985933069 /nfs/dbraw/zinc/93/30/69/985933069.db2.gz IYRBCTUIGIWHMJ-CYBMUJFWSA-N -1 1 343.851 3.303 20 10 EGCDMM CCOCCC[N@H+](Cc1c([O-])cc(C)cc1Cl)C[C@@H](C)C(=O)[O-] ZINC001596914766 985933086 /nfs/dbraw/zinc/93/30/86/985933086.db2.gz IYRBCTUIGIWHMJ-CYBMUJFWSA-N -1 1 343.851 3.303 20 10 EGCDMM COc1c([O-])c(CN(C)Cc2c(F)cccc2F)ccc1[N+](=O)[O-] ZINC000293729693 455795591 /nfs/dbraw/zinc/79/55/91/455795591.db2.gz UTCCWZCPUJVNEN-UHFFFAOYSA-N -1 1 338.310 3.219 20 10 EGCDMM CCc1ccc([C@H](COC)N[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])o1 ZINC000273557779 456239602 /nfs/dbraw/zinc/23/96/02/456239602.db2.gz HHRMDFQHBOYHHN-ABAIWWIYSA-N -1 1 334.372 3.494 20 10 EGCDMM COC(=O)c1[n-]c(=NCc2c(C)c3ccccc3n2C)sc1C ZINC000359841799 457134683 /nfs/dbraw/zinc/13/46/83/457134683.db2.gz VMDOFOWWPUSCFB-UHFFFAOYSA-N -1 1 329.425 3.072 20 10 EGCDMM Cc1c2ccccc2n(C)c1CNC(=O)c1c(F)ccc([O-])c1F ZINC000582328938 459346876 /nfs/dbraw/zinc/34/68/76/459346876.db2.gz SZDJJIXKJMOOQH-UHFFFAOYSA-N -1 1 330.334 3.401 20 10 EGCDMM CCOCC[N@H+](CC)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000730801991 575022023 /nfs/dbraw/zinc/02/20/23/575022023.db2.gz BJMDIDKRZIFIHQ-UHFFFAOYSA-N -1 1 343.423 3.187 20 10 EGCDMM CCOCC[N@@H+](CC)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000730801991 575022026 /nfs/dbraw/zinc/02/20/26/575022026.db2.gz BJMDIDKRZIFIHQ-UHFFFAOYSA-N -1 1 343.423 3.187 20 10 EGCDMM CC(=O)c1cc(F)cc(C[NH2+][C@@H](c2ccccc2)[C@H](C)C(=O)[O-])c1[O-] ZINC000825946844 601654176 /nfs/dbraw/zinc/65/41/76/601654176.db2.gz STNWPLZLIIKCAR-APPDUMDISA-N -1 1 345.370 3.286 20 10 EGCDMM CC(C)C[N@@H+](CCC(=O)[O-])Cc1cccc(Br)c1[O-] ZINC000833486272 604577431 /nfs/dbraw/zinc/57/74/31/604577431.db2.gz GZPADHWWHBBXJU-UHFFFAOYSA-N -1 1 330.222 3.087 20 10 EGCDMM CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H](C(C)(C)C(=O)[O-])C2)c1[O-] ZINC000833400393 604928329 /nfs/dbraw/zinc/92/83/29/604928329.db2.gz FVDPFGBJSLGKQM-ZDUSSCGKSA-N -1 1 337.391 3.057 20 10 EGCDMM CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H](C(C)(C)C(=O)[O-])C2)c1[O-] ZINC000833400393 604928330 /nfs/dbraw/zinc/92/83/30/604928330.db2.gz FVDPFGBJSLGKQM-ZDUSSCGKSA-N -1 1 337.391 3.057 20 10 EGCDMM Cc1nn(C)c2ncc(NCc3cccc(Br)c3[O-])cc12 ZINC000048796438 1291618547 /nfs/dbraw/zinc/61/85/47/1291618547.db2.gz CWLTWXKMDOUQRD-UHFFFAOYSA-N -1 1 347.216 3.357 20 10 EGCDMM C[C@H]1CSCC[N@@H+]1Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000172515615 1294438726 /nfs/dbraw/zinc/43/87/26/1294438726.db2.gz IWSAKIJYUHYNMP-ZDUSSCGKSA-N -1 1 343.448 3.266 20 10 EGCDMM C[C@H]1CSCC[N@H+]1Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000172515615 1294438730 /nfs/dbraw/zinc/43/87/30/1294438730.db2.gz IWSAKIJYUHYNMP-ZDUSSCGKSA-N -1 1 343.448 3.266 20 10 EGCDMM Cc1cc([N-]S(=O)(=O)c2cc(F)cc(F)c2)c(C)c(C)c1O ZINC000187061270 1295365804 /nfs/dbraw/zinc/36/58/04/1295365804.db2.gz IGPOULLTNOMNTA-UHFFFAOYSA-N -1 1 327.352 3.396 20 10 EGCDMM CC(C)CCCNC(=O)NCc1cccc(Br)c1[O-] ZINC000764762469 1302129287 /nfs/dbraw/zinc/12/92/87/1302129287.db2.gz SDNYHZGGVBMHCI-UHFFFAOYSA-N -1 1 329.238 3.390 20 10 EGCDMM Nc1nc(NCc2cccc(Br)c2[O-])nc2ccccc12 ZINC000764932904 1302170108 /nfs/dbraw/zinc/17/01/08/1302170108.db2.gz AIVOJMUDQDEDOC-UHFFFAOYSA-N -1 1 345.200 3.292 20 10 EGCDMM COc1cc(OC)c(OC)cc1NCc1cc(F)cc(F)c1[O-] ZINC000883068796 1302228853 /nfs/dbraw/zinc/22/88/53/1302228853.db2.gz ILHPXEYXYAJYAA-UHFFFAOYSA-N -1 1 325.311 3.308 20 10 EGCDMM Cc1c(C[S@@](C)=O)cccc1NCc1cc(F)cc(F)c1[O-] ZINC000883065306 1302229289 /nfs/dbraw/zinc/22/92/89/1302229289.db2.gz HNMNHZYZVIPDMN-JOCHJYFZSA-N -1 1 325.380 3.469 20 10 EGCDMM O=C(NCc1cccc(Br)c1[O-])c1cc(Cl)ccn1 ZINC000765753663 1302319068 /nfs/dbraw/zinc/31/90/68/1302319068.db2.gz PAZHVFRGZUBHKM-UHFFFAOYSA-N -1 1 341.592 3.133 20 10 EGCDMM CCc1ccnc(C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765736555 1302315130 /nfs/dbraw/zinc/31/51/30/1302315130.db2.gz OJPHSEOISMVWKD-UHFFFAOYSA-N -1 1 335.201 3.042 20 10 EGCDMM O=C(NCc1cccc(Br)c1[O-])c1c(F)cccc1F ZINC000765747980 1302316788 /nfs/dbraw/zinc/31/67/88/1302316788.db2.gz SELFRYNILXGFOY-UHFFFAOYSA-N -1 1 342.139 3.363 20 10 EGCDMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(O)cc2C(C)=O)c(C)c1 ZINC000766047712 1302378567 /nfs/dbraw/zinc/37/85/67/1302378567.db2.gz RJLCXZRVKFGRPQ-UHFFFAOYSA-N -1 1 349.408 3.021 20 10 EGCDMM CN(C)c1ccc(CN(C(=O)c2ccc([O-])c(F)c2)C2CC2)cc1 ZINC000767300788 1302632544 /nfs/dbraw/zinc/63/25/44/1302632544.db2.gz NLWKJOVSWVCHFD-UHFFFAOYSA-N -1 1 328.387 3.402 20 10 EGCDMM O=C(COC(=O)C1(c2cccc(F)c2)CCC1)c1ccc([O-])c(O)c1 ZINC000782254629 1304940212 /nfs/dbraw/zinc/94/02/12/1304940212.db2.gz ZWSUDBAPNFXIGB-UHFFFAOYSA-N -1 1 344.338 3.085 20 10 EGCDMM Cc1cc2[nH]c(C(=O)OCC(=O)c3ccc([O-])c(O)c3)cc2c(C)c1 ZINC000782610567 1304994260 /nfs/dbraw/zinc/99/42/60/1304994260.db2.gz FBPDGRKOXWSZKI-UHFFFAOYSA-N -1 1 339.347 3.236 20 10 EGCDMM O=C(COC(=O)[C@@H]1CCCc2sccc21)c1ccc([O-])c(O)c1 ZINC000784282585 1305220797 /nfs/dbraw/zinc/22/07/97/1305220797.db2.gz YPRIACKUYJIELJ-GFCCVEGCSA-N -1 1 332.377 3.005 20 10 EGCDMM O=C(NCc1ccccc1N1CCCCC1)c1c(F)ccc(O)c1[O-] ZINC000789997241 1306245281 /nfs/dbraw/zinc/24/52/81/1306245281.db2.gz DXVKXRGWKBICTQ-UHFFFAOYSA-N -1 1 344.386 3.157 20 10 EGCDMM C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])CC[C@H]1O ZINC000894498289 1308922628 /nfs/dbraw/zinc/92/26/28/1308922628.db2.gz VXUCMIUPKRYBGR-PRHODGIISA-N -1 1 334.641 3.011 20 10 EGCDMM O=C([O-])CC[C@@H]1CCCC[N@H+]1Cc1cccc(Br)c1[O-] ZINC000903694767 1317722786 /nfs/dbraw/zinc/72/27/86/1317722786.db2.gz FYTBIXWYZQVOAR-LBPRGKRZSA-N -1 1 342.233 3.374 20 10 EGCDMM O=C(CCc1ccccc1Cl)OCC(=O)c1ccc([O-])c(O)c1 ZINC000916595706 1319681412 /nfs/dbraw/zinc/68/14/12/1319681412.db2.gz YYCPUTMOIHFUOC-UHFFFAOYSA-N -1 1 334.755 3.110 20 10 EGCDMM O=C(N[C@@H]1CC2(CCC2)Oc2ccccc21)c1c(F)ccc(O)c1[O-] ZINC000826876385 1320411111 /nfs/dbraw/zinc/41/11/11/1320411111.db2.gz FPZASPNEKMLTPY-CYBMUJFWSA-N -1 1 343.354 3.413 20 10 EGCDMM O=[N+]([O-])c1cc(Cl)cc(CN2C[C@H](O)C[C@H]2c2ccccc2)c1[O-] ZINC000840956382 1321185950 /nfs/dbraw/zinc/18/59/50/1321185950.db2.gz SSGQSNRQLIMALZ-CABCVRRESA-N -1 1 348.786 3.262 20 10 EGCDMM Cc1cc(Br)c([O-])c(CN[C@@H](C)c2csnn2)c1 ZINC000840970268 1321190528 /nfs/dbraw/zinc/19/05/28/1321190528.db2.gz QLCYAUZHILDIFP-QMMMGPOBSA-N -1 1 328.235 3.165 20 10 EGCDMM Oc1ccc(Br)cc1C[N@@H+]1CCc2c(O)cccc2C1 ZINC000862529335 1329492733 /nfs/dbraw/zinc/49/27/33/1329492733.db2.gz KZULJDLYRBFVAG-UHFFFAOYSA-N -1 1 334.213 3.419 20 10 EGCDMM O=C([O-])C[C@@H]1CCCC[C@@H]1[NH2+]Cc1c([O-])cccc1Br ZINC000864514699 1329620848 /nfs/dbraw/zinc/62/08/48/1329620848.db2.gz ZMOKXOGYNQBQMX-GWCFXTLKSA-N -1 1 342.233 3.278 20 10 EGCDMM C[C@@H](CC(C)(C)[NH2+]Cc1c([O-])cccc1Br)C(=O)[O-] ZINC000864514381 1329620942 /nfs/dbraw/zinc/62/09/42/1329620942.db2.gz SPBBHICKFAQVSU-VIFPVBQESA-N -1 1 330.222 3.134 20 10 EGCDMM CCc1ccc(OC)c(S(=O)(=O)[N-]c2cc(F)c(O)c(F)c2)c1 ZINC001192821669 1367882353 /nfs/dbraw/zinc/88/23/53/1367882353.db2.gz UHDXGZQDKLCFBM-UHFFFAOYSA-N -1 1 343.351 3.042 20 10 EGCDMM O=C(Nc1cnc(Cl)nc1Cl)c1ccc(O)c([O-])c1Cl ZINC001193209664 1367967485 /nfs/dbraw/zinc/96/74/85/1367967485.db2.gz NDLMPOSHWDEWCV-UHFFFAOYSA-N -1 1 334.546 3.100 20 10 EGCDMM Cc1ccc(CCCO)c(NC(=O)c2ccc(O)c([O-])c2Cl)c1 ZINC001193230544 1367972066 /nfs/dbraw/zinc/97/20/66/1367972066.db2.gz ULZNCFXUCIRYPA-UHFFFAOYSA-N -1 1 335.787 3.237 20 10 EGCDMM O=C(NCc1cc(F)c(F)c(F)c1)c1ccc(O)c([O-])c1Cl ZINC001193236401 1367975736 /nfs/dbraw/zinc/97/57/36/1367975736.db2.gz BHGRQLHYVVIBPS-UHFFFAOYSA-N -1 1 331.677 3.099 20 10 EGCDMM C[C@@H](NC(=O)c1c(F)ccc(O)c1[O-])c1nc(C(C)(C)C)cs1 ZINC001326242775 1388133067 /nfs/dbraw/zinc/13/30/67/1388133067.db2.gz WXWXDHGTRCSEDK-MRVPVSSYSA-N -1 1 338.404 3.482 20 10 EGCDMM O=C1c2ccccc2C(=O)c2c1ccc([O-])c2OC[C@@H]1CCC=CO1 ZINC001227580119 1375446258 /nfs/dbraw/zinc/44/62/58/1375446258.db2.gz GVZYWOBIFULNKS-LBPRGKRZSA-N -1 1 336.343 3.239 20 10 EGCDMM C[C@H]1C[C@@H](Oc2c([O-])ccc3c2C(=O)c2ccccc2C3=O)CCO1 ZINC001227576783 1375446352 /nfs/dbraw/zinc/44/63/52/1375446352.db2.gz FAFAVWYPZXTFLG-RYUDHWBXSA-N -1 1 338.359 3.114 20 10 EGCDMM C[C@@H](Oc1c([O-])ccc2c1C(=O)c1ccccc1C2=O)c1ncccn1 ZINC001227579947 1375446500 /nfs/dbraw/zinc/44/65/00/1375446500.db2.gz BZTNAUHCCIYIDC-LLVKDONJSA-N -1 1 346.342 3.098 20 10 EGCDMM [O-]c1c(CN2CC(F)(F)CC[C@H]2CO)cccc1C(F)(F)F ZINC001233416058 1376641197 /nfs/dbraw/zinc/64/11/97/1376641197.db2.gz UYRRIVBCFNDDMO-JTQLQIEISA-N -1 1 325.277 3.003 20 10 EGCDMM C[C@@H]1c2ncc(COCC3CC3)n2CCN1Cc1c([O-])cccc1F ZINC001137835821 1377626138 /nfs/dbraw/zinc/62/61/38/1377626138.db2.gz PAHVVBRHKPPXHF-CYBMUJFWSA-N -1 1 345.418 3.231 20 10 EGCDMM [O-]c1c(F)cccc1CN1CCc2nc(Br)sc2C1 ZINC001138127694 1377681889 /nfs/dbraw/zinc/68/18/89/1377681889.db2.gz MSGLUZUFCIQESQ-UHFFFAOYSA-N -1 1 343.221 3.309 20 10 EGCDMM C[C@@H]1CCN(Cc2cc(Cl)cc(Br)c2[O-])C[C@H]1O ZINC001141367614 1378312261 /nfs/dbraw/zinc/31/22/61/1378312261.db2.gz IIONKLAUSOMHDM-PRHODGIISA-N -1 1 334.641 3.011 20 10 EGCDMM CCOC(=O)CN(Cc1ccsc1)Cc1cc(F)c(F)cc1[O-] ZINC001142526979 1378452949 /nfs/dbraw/zinc/45/29/49/1378452949.db2.gz DWADFRQOMDOGGM-UHFFFAOYSA-N -1 1 341.379 3.297 20 10 EGCDMM Cc1cc2nc(Cl)nc(NCC(=O)c3ccc([O-])c(O)c3)c2s1 ZINC001170314197 1384288573 /nfs/dbraw/zinc/28/85/73/1384288573.db2.gz RVNLCXJSTISTKG-UHFFFAOYSA-N -1 1 349.799 3.359 20 10 EGCDMM O=C(CNc1cc(C(F)(F)F)cc(Cl)n1)c1ccc([O-])c(O)c1 ZINC001170314620 1384289213 /nfs/dbraw/zinc/28/92/13/1384289213.db2.gz VKINDLWPFHWRPI-UHFFFAOYSA-N -1 1 346.692 3.460 20 10 EGCDMM O=C(CNc1c(F)cc2ncccc2c1F)c1ccc([O-])c(O)c1 ZINC001170315107 1384289528 /nfs/dbraw/zinc/28/95/28/1384289528.db2.gz PNZDBQIEKGHSMY-UHFFFAOYSA-N -1 1 330.290 3.219 20 10 EGCDMM Cc1csc2c1nc(Cl)nc2NCC(=O)c1ccc([O-])c(O)c1 ZINC001170314680 1384289554 /nfs/dbraw/zinc/28/95/54/1384289554.db2.gz YBPNMEKRJPGQAN-UHFFFAOYSA-N -1 1 349.799 3.359 20 10 EGCDMM O=C1c2ccccc2C(=O)c2cc(Nc3ccc(F)cn3)c([O-])cc21 ZINC001175851940 1385421858 /nfs/dbraw/zinc/42/18/58/1385421858.db2.gz ZADGIWPIUKDZMA-UHFFFAOYSA-N -1 1 334.306 3.445 20 10 EGCDMM Cc1ncc(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)cn1 ZINC001176396224 1385575855 /nfs/dbraw/zinc/57/58/55/1385575855.db2.gz NKLMJADRILSNOT-UHFFFAOYSA-N -1 1 331.331 3.010 20 10 EGCDMM O=C(NCc1cccc(Br)c1[O-])N[C@H]1CCC[C@@H](F)C1 ZINC001332094462 1389979595 /nfs/dbraw/zinc/97/95/95/1389979595.db2.gz RVJAONMHGBUVDM-MNOVXSKESA-N -1 1 345.212 3.235 20 10 EGCDMM CCOc1ccc(N(C)Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000821422180 1429017198 /nfs/dbraw/zinc/01/71/98/1429017198.db2.gz RHFXGEDORDPIHZ-UHFFFAOYSA-N -1 1 327.363 3.041 20 10 EGCDMM Cc1cc(Br)cc(C[N@@H+]2CC[C@H](C)[C@@H](C(=O)[O-])C2)c1O ZINC000843039637 955620212 /nfs/dbraw/zinc/62/02/12/955620212.db2.gz DEKSYBLIVFITAW-ZANVPECISA-N -1 1 342.233 3.006 20 10 EGCDMM CN(C)c1cc(F)c(CN[C@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1F ZINC001573991278 961830836 /nfs/dbraw/zinc/83/08/36/961830836.db2.gz FUUHHFJKFXTFAJ-YOEHRIQHSA-N -1 1 346.377 3.434 20 10 EGCDMM COc1ccc(CNCc2ccc(C(=O)[O-])c(C3CC3)n2)cc1C ZINC000841815770 979314377 /nfs/dbraw/zinc/31/43/77/979314377.db2.gz GCKCPEUEMQFCCP-UHFFFAOYSA-N -1 1 326.396 3.264 20 10 EGCDMM CCCOc1ccc(CN[C@H]2CCCn3nc(C(=O)[O-])cc32)cc1C ZINC000900074643 980246889 /nfs/dbraw/zinc/24/68/89/980246889.db2.gz WZTSVVMPQDDGPV-HNNXBMFYSA-N -1 1 343.427 3.303 20 10 EGCDMM CN(C)c1ccc(/C=C/C[N@@H+]2Cc3ccccc3[C@H](C(=O)[O-])C2)cc1 ZINC000901628612 980411442 /nfs/dbraw/zinc/41/14/42/980411442.db2.gz RNQCEUXBBLHGGD-RRFGBZISSA-N -1 1 336.435 3.450 20 10 EGCDMM CN(C)c1ccc(/C=C/CN2Cc3ccccc3[C@H](C(=O)[O-])C2)cc1 ZINC000901628612 980411445 /nfs/dbraw/zinc/41/14/45/980411445.db2.gz RNQCEUXBBLHGGD-RRFGBZISSA-N -1 1 336.435 3.450 20 10 EGCDMM CN(Cc1ccc(N2CCCCC2)cc1)Cc1ccc(C(=O)[O-])cn1 ZINC001598518859 992654029 /nfs/dbraw/zinc/65/40/29/992654029.db2.gz CVNNOKVYHAUUSV-UHFFFAOYSA-N -1 1 339.439 3.402 20 10 EGCDMM C[C@H](NCc1ccc(N2CCSCC2)cc1)c1cc(C(=O)[O-])co1 ZINC001593298802 994717271 /nfs/dbraw/zinc/71/72/71/994717271.db2.gz MURDANFDOURLRU-ZDUSSCGKSA-N -1 1 346.452 3.382 20 10 EGCDMM COC[C@H](C)n1c(C)cc(C(=O)C[N@@H+](C)Cc2ccccc2O)c1C ZINC000111235721 454859046 /nfs/dbraw/zinc/85/90/46/454859046.db2.gz ZMPHALXMNMOTST-HNNXBMFYSA-N -1 1 344.455 3.333 20 10 EGCDMM CC(C)OCc1cc([N-]S(=O)(=O)c2cccc(F)c2)ccc1O ZINC000290440578 456328102 /nfs/dbraw/zinc/32/81/02/456328102.db2.gz BZFDBPOYQGFYHR-UHFFFAOYSA-N -1 1 339.388 3.257 20 10 EGCDMM CC(C)c1nocc1C(=O)NCc1cccc(Br)c1[O-] ZINC000529167538 459823866 /nfs/dbraw/zinc/82/38/66/459823866.db2.gz CUSCBSCWKHEVKK-UHFFFAOYSA-N -1 1 339.189 3.196 20 10 EGCDMM [O-]c1ccc2ccncc2c1C[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000738069748 574633034 /nfs/dbraw/zinc/63/30/34/574633034.db2.gz KUCFQAPLJJKXLL-UHFFFAOYSA-N -1 1 339.361 3.010 20 10 EGCDMM O=C(NCCCSc1nccs1)c1c([O-])cccc1Cl ZINC000736681973 576004489 /nfs/dbraw/zinc/00/44/89/576004489.db2.gz ILUJMOLTVCFLCA-UHFFFAOYSA-N -1 1 328.846 3.414 20 10 EGCDMM O=C([O-])C[C@@H]1CCC[N@@H+]1Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000833211477 604983487 /nfs/dbraw/zinc/98/34/87/604983487.db2.gz ZKVHDFOTRXSMSN-LBPRGKRZSA-N -1 1 329.396 3.456 20 10 EGCDMM O=C([O-])C[C@@H]1CCC[N@H+]1Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000833211477 604983489 /nfs/dbraw/zinc/98/34/89/604983489.db2.gz ZKVHDFOTRXSMSN-LBPRGKRZSA-N -1 1 329.396 3.456 20 10 EGCDMM O=C(NCC1(Cc2ccc(F)cc2)CC1)c1c(F)ccc(O)c1[O-] ZINC000827724935 1292360390 /nfs/dbraw/zinc/36/03/90/1292360390.db2.gz AGAUMCYZCPJJPA-UHFFFAOYSA-N -1 1 333.334 3.129 20 10 EGCDMM CCc1ccc([C@H]2CN(C(=O)c3c(F)ccc(O)c3[O-])CCO2)cc1 ZINC000830286890 1292701638 /nfs/dbraw/zinc/70/16/38/1292701638.db2.gz QYJCWUQTGWRPQN-MRXNPFEDSA-N -1 1 345.370 3.013 20 10 EGCDMM CSc1cc(O)ccc1[N-]S(=O)(=O)c1cc(C#N)ccc1C ZINC000192155636 1295737792 /nfs/dbraw/zinc/73/77/92/1295737792.db2.gz XTDXHUOMXDTCJC-UHFFFAOYSA-N -1 1 334.422 3.095 20 10 EGCDMM [O-]c1c(Br)cccc1CNc1ncn(-c2ccccc2)n1 ZINC000195046816 1296030765 /nfs/dbraw/zinc/03/07/65/1296030765.db2.gz CBRJHCGMBGTALT-UHFFFAOYSA-N -1 1 345.200 3.348 20 10 EGCDMM Cn1nc(-c2ccccc2)c(C=C2SC(=S)[N-]C2=O)c1Cl ZINC000255029361 1296489666 /nfs/dbraw/zinc/48/96/66/1296489666.db2.gz NVZDHFMRTVNUNQ-JXMROGBWSA-N -1 1 335.841 3.229 20 10 EGCDMM O=C1N[C@H](c2cc(Cl)cc(F)c2[O-])Nc2cc(F)c(F)cc21 ZINC000877857835 1299611197 /nfs/dbraw/zinc/61/11/97/1299611197.db2.gz BCOWUAADJXKFNE-CYBMUJFWSA-N -1 1 328.677 3.317 20 10 EGCDMM C[C@H]1C[NH+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C[C@@H]1C ZINC000751929564 1299655428 /nfs/dbraw/zinc/65/54/28/1299655428.db2.gz QRDPNQPTTBBIOT-KBPBESRZSA-N -1 1 325.408 3.417 20 10 EGCDMM C[C@H]1C[N@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C[C@H]1C ZINC000751929583 1299655486 /nfs/dbraw/zinc/65/54/86/1299655486.db2.gz QRDPNQPTTBBIOT-OKILXGFUSA-N -1 1 325.408 3.417 20 10 EGCDMM C[C@H]1C[N@@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C[C@H]1C ZINC000751929583 1299655493 /nfs/dbraw/zinc/65/54/93/1299655493.db2.gz QRDPNQPTTBBIOT-OKILXGFUSA-N -1 1 325.408 3.417 20 10 EGCDMM COc1ccc(CN(C)Cc2cc(Cl)cc(C(C)=O)c2[O-])cn1 ZINC000764372452 1302053319 /nfs/dbraw/zinc/05/33/19/1302053319.db2.gz MBSNQJHZASNHHN-UHFFFAOYSA-N -1 1 334.803 3.284 20 10 EGCDMM C[C@H](NCc1cc(Cl)cc(Br)c1[O-])c1ccn(C)n1 ZINC000883144916 1302270708 /nfs/dbraw/zinc/27/07/08/1302270708.db2.gz GGZBKEHJPMGRDM-QMMMGPOBSA-N -1 1 344.640 3.392 20 10 EGCDMM CCc1ncsc1C(=O)NCc1cccc(Br)c1[O-] ZINC000765730466 1302315043 /nfs/dbraw/zinc/31/50/43/1302315043.db2.gz VWEAQFFGPSPTNI-UHFFFAOYSA-N -1 1 341.230 3.104 20 10 EGCDMM O=C(NCc1cccc(Br)c1[O-])c1cc2occc2[nH]1 ZINC000765748551 1302316460 /nfs/dbraw/zinc/31/64/60/1302316460.db2.gz WMGNFWCXODGEQF-UHFFFAOYSA-N -1 1 335.157 3.159 20 10 EGCDMM O=C(NCc1cccc(Br)c1[O-])c1cccnc1Cl ZINC000765751748 1302318263 /nfs/dbraw/zinc/31/82/63/1302318263.db2.gz JSWJVQYHVAGTAZ-UHFFFAOYSA-N -1 1 341.592 3.133 20 10 EGCDMM CCO[C@H](CC(=O)NCc1cccc(Br)c1[O-])C(C)C ZINC000765770988 1302322864 /nfs/dbraw/zinc/32/28/64/1302322864.db2.gz UTNZEKRNOLGRSJ-CYBMUJFWSA-N -1 1 344.249 3.222 20 10 EGCDMM O=C1c2ccccc2N[C@@H](c2cccc(F)c2[O-])N1C[C@H]1CCCO1 ZINC000778520270 1304458033 /nfs/dbraw/zinc/45/80/33/1304458033.db2.gz RJSRWFHKAHALLH-KZULUSFZSA-N -1 1 342.370 3.277 20 10 EGCDMM C[C@@H](Cc1ccccc1Cl)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784366056 1305235520 /nfs/dbraw/zinc/23/55/20/1305235520.db2.gz HZKNVMZOGDDOMZ-NSHDSACASA-N -1 1 348.782 3.356 20 10 EGCDMM Cc1ccc(CNC(=O)c2c(F)ccc(O)c2[O-])c(OCC2CC2)c1 ZINC000789988996 1306244647 /nfs/dbraw/zinc/24/46/47/1306244647.db2.gz IFLIBXRLURTARF-UHFFFAOYSA-N -1 1 345.370 3.264 20 10 EGCDMM O=C([O-])C[C@H](NCc1ccc2c(c1)CCCO2)c1ccccc1F ZINC000900044857 1317225717 /nfs/dbraw/zinc/22/57/17/1317225717.db2.gz ARMRGLZFFJBNNO-KRWDZBQOSA-N -1 1 329.371 3.456 20 10 EGCDMM Nc1ccc(NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000841301815 1321249754 /nfs/dbraw/zinc/24/97/54/1321249754.db2.gz DNEBZOJQTGKYNW-UHFFFAOYSA-N -1 1 339.395 3.101 20 10 EGCDMM O=S(=O)([N-]c1ccc(O)c2ccccc12)c1ccc2n[nH]cc2c1 ZINC001185989961 1387842730 /nfs/dbraw/zinc/84/27/30/1387842730.db2.gz HSIZMQLLOREZKR-UHFFFAOYSA-N -1 1 339.376 3.223 20 10 EGCDMM C[C@H](NC(=O)c1ccc(O)c([O-])c1Cl)c1cccc(N(C)C)c1 ZINC001193247083 1367978858 /nfs/dbraw/zinc/97/88/58/1367978858.db2.gz KKTDHVRJFPKWKP-JTQLQIEISA-N -1 1 334.803 3.308 20 10 EGCDMM O=C(N[C@H](c1ncccc1F)C1CC1)c1ccc(O)c([O-])c1Cl ZINC001193246723 1367979737 /nfs/dbraw/zinc/97/97/37/1367979737.db2.gz AQBDSDMXKYAKKP-ZDUSSCGKSA-N -1 1 336.750 3.166 20 10 EGCDMM O=C(NCC(=O)c1ccc([O-])c(O)c1)c1cc(Cl)c(Cl)s1 ZINC001195180155 1368394952 /nfs/dbraw/zinc/39/49/52/1368394952.db2.gz SFZHQXUJPJILPN-UHFFFAOYSA-N -1 1 346.191 3.079 20 10 EGCDMM C[C@H](Oc1c([O-])ccc2c1C(=O)c1ccccc1C2=O)c1ncccn1 ZINC001227579948 1375446456 /nfs/dbraw/zinc/44/64/56/1375446456.db2.gz BZTNAUHCCIYIDC-NSHDSACASA-N -1 1 346.342 3.098 20 10 EGCDMM COc1ccc(N2CCN(Cc3cc(Cl)ncc3[O-])CC2)c(C)c1 ZINC001233038313 1376559211 /nfs/dbraw/zinc/55/92/11/1376559211.db2.gz RKTKXTCZGXQDQE-UHFFFAOYSA-N -1 1 347.846 3.080 20 10 EGCDMM O=C(OCc1ccccc1)[C@@H]1CCCN1Cc1c([O-])cccc1F ZINC001137831990 1377623835 /nfs/dbraw/zinc/62/38/35/1377623835.db2.gz VVCUMFWTBYMYPS-KRWDZBQOSA-N -1 1 329.371 3.239 20 10 EGCDMM Cc1cccnc1O[C@@H]1CCCN(Cc2c(F)ccc(F)c2[O-])C1 ZINC001139688780 1377935218 /nfs/dbraw/zinc/93/52/18/1377935218.db2.gz ADVJETXVEWIZFJ-CYBMUJFWSA-N -1 1 334.366 3.417 20 10 EGCDMM [O-]c1cccc(Cl)c1CN1CCn2cc(C(F)(F)F)nc2C1 ZINC001140345821 1378051015 /nfs/dbraw/zinc/05/10/15/1378051015.db2.gz ZMGAJVJVJKFNHU-UHFFFAOYSA-N -1 1 331.725 3.277 20 10 EGCDMM O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)c1ccc([O-])c(O)c1 ZINC001144930887 1378782587 /nfs/dbraw/zinc/78/25/87/1378782587.db2.gz JRFBPCLZPCVZAJ-UHFFFAOYSA-N -1 1 343.423 3.003 20 10 EGCDMM CSc1nc2sccc2c(NCC(=O)c2ccc([O-])c(O)c2)n1 ZINC001159273500 1381749019 /nfs/dbraw/zinc/74/90/19/1381749019.db2.gz XEBXGPKCNFULGK-UHFFFAOYSA-N -1 1 347.421 3.119 20 10 EGCDMM Cc1ccc2c(Cl)nnc(NCC(=O)c3ccc([O-])c(O)c3)c2c1 ZINC001170317075 1384289170 /nfs/dbraw/zinc/28/91/70/1384289170.db2.gz XSELRQZMHMSICT-UHFFFAOYSA-N -1 1 343.770 3.298 20 10 EGCDMM Cc1nc(Cl)nc(NCC(=O)c2ccc([O-])c(O)c2)c1C1CC1 ZINC001170315854 1384289498 /nfs/dbraw/zinc/28/94/98/1384289498.db2.gz IBFIKPJZGFUNNU-UHFFFAOYSA-N -1 1 333.775 3.022 20 10 EGCDMM O=C([O-])[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708071617 969033685 /nfs/dbraw/zinc/03/36/85/969033685.db2.gz OZRNKVZPVDCNFD-MRVPVSSYSA-N -1 1 348.624 3.105 20 10 EGCDMM CC[N@H+](Cc1cc(Br)ccc1[O-])[C@H](CC(C)C)C(=O)[O-] ZINC000863529151 979674132 /nfs/dbraw/zinc/67/41/32/979674132.db2.gz HGOHFDQSHXHYFQ-CYBMUJFWSA-N -1 1 344.249 3.476 20 10 EGCDMM CC[N@@H+](Cc1cc(Br)ccc1[O-])[C@H](CC(C)C)C(=O)[O-] ZINC000863529151 979674136 /nfs/dbraw/zinc/67/41/36/979674136.db2.gz HGOHFDQSHXHYFQ-CYBMUJFWSA-N -1 1 344.249 3.476 20 10 EGCDMM CC(C)C[C@@H](C(=O)[O-])[N@H+](C)Cc1cc(Br)ccc1[O-] ZINC001591428549 992517208 /nfs/dbraw/zinc/51/72/08/992517208.db2.gz JKNPBIFLNPMVOW-LBPRGKRZSA-N -1 1 330.222 3.086 20 10 EGCDMM CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)Cc1cc(Br)ccc1[O-] ZINC001591428549 992517217 /nfs/dbraw/zinc/51/72/17/992517217.db2.gz JKNPBIFLNPMVOW-LBPRGKRZSA-N -1 1 330.222 3.086 20 10 EGCDMM O=C(NC1CC1)c1cccc(C[NH2+]Cc2c([O-])cccc2Cl)c1 ZINC000264954509 455298532 /nfs/dbraw/zinc/29/85/32/455298532.db2.gz LWEKEQXEMYMESG-UHFFFAOYSA-N -1 1 330.815 3.228 20 10 EGCDMM O=C(NC[C@H]1CCCO[C@H]1c1ccccc1)c1c(F)ccc(O)c1[O-] ZINC000294896073 455831088 /nfs/dbraw/zinc/83/10/88/455831088.db2.gz RFSCWRYFKKDHGR-ACJLOTCBSA-N -1 1 345.370 3.135 20 10 EGCDMM O=C(c1ccc(NCc2cccc(Cl)c2[O-])cc1)N1CCOCC1 ZINC000280611294 456012978 /nfs/dbraw/zinc/01/29/78/456012978.db2.gz DOGCSBGDAPOEFX-UHFFFAOYSA-N -1 1 346.814 3.130 20 10 EGCDMM Cc1ccc(CC[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cc1 ZINC000738589813 576339614 /nfs/dbraw/zinc/33/96/14/576339614.db2.gz XBLXFICCNNPDHA-UHFFFAOYSA-N -1 1 333.815 3.483 20 10 EGCDMM Cc1ccc(CC[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cc1 ZINC000738589813 576339615 /nfs/dbraw/zinc/33/96/15/576339615.db2.gz XBLXFICCNNPDHA-UHFFFAOYSA-N -1 1 333.815 3.483 20 10 EGCDMM O=C([O-])[C@@]1(F)CC[N@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C1 ZINC000833175060 601371923 /nfs/dbraw/zinc/37/19/23/601371923.db2.gz MVJSYDWSRLNGMP-GOSISDBHSA-N -1 1 333.359 3.016 20 10 EGCDMM O=C([O-])[C@@]1(F)CC[N@@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C1 ZINC000833175060 601371925 /nfs/dbraw/zinc/37/19/25/601371925.db2.gz MVJSYDWSRLNGMP-GOSISDBHSA-N -1 1 333.359 3.016 20 10 EGCDMM CCc1ccc([C@H]2CCN(C(=O)c3c(F)ccc(O)c3[O-])C2)cc1 ZINC000832826073 1293049152 /nfs/dbraw/zinc/04/91/52/1293049152.db2.gz ADYVQIUYXRGXBC-AWEZNQCLSA-N -1 1 329.371 3.429 20 10 EGCDMM Cc1nc(-c2ccc(S(=O)(=O)[N-]c3ccc(O)cc3C)cc2)co1 ZINC000151875839 1293944055 /nfs/dbraw/zinc/94/40/55/1293944055.db2.gz YXNIEZQHRDDPKK-UHFFFAOYSA-N -1 1 344.392 3.465 20 10 EGCDMM CC(=O)c1cc(F)cc(C[N@H+](CCO)Cc2ccc(C)cc2)c1O ZINC000181977993 1295011239 /nfs/dbraw/zinc/01/12/39/1295011239.db2.gz XZOSQNLVMRVHTO-UHFFFAOYSA-N -1 1 331.387 3.037 20 10 EGCDMM O=C1[N-]C(=S)S/C1=C\c1ccc(OCC(F)(F)F)c(F)c1 ZINC000588449930 1298065761 /nfs/dbraw/zinc/06/57/61/1298065761.db2.gz NMAIEPNBBMQNKJ-WTKPLQERSA-N -1 1 337.319 3.256 20 10 EGCDMM CC(C)C1(CNC(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000764792435 1302136263 /nfs/dbraw/zinc/13/62/63/1302136263.db2.gz UCDWRZHQNKVRBT-UHFFFAOYSA-N -1 1 341.249 3.390 20 10 EGCDMM C[C@H]1CC[C@H](NC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000764802952 1302139223 /nfs/dbraw/zinc/13/92/23/1302139223.db2.gz AVQODRQTIFGTIN-ONGXEEELSA-N -1 1 327.222 3.143 20 10 EGCDMM [O-]c1c(Br)cccc1CNc1ncnc2c1CCCC2 ZINC000764934315 1302169626 /nfs/dbraw/zinc/16/96/26/1302169626.db2.gz LBWXBWMJVNVJFC-UHFFFAOYSA-N -1 1 334.217 3.436 20 10 EGCDMM [O-]c1c(Br)cccc1CNC(=S)NC1CCCCC1 ZINC000765993509 1302364569 /nfs/dbraw/zinc/36/45/69/1302364569.db2.gz XCHSZXIZHIZCGG-UHFFFAOYSA-N -1 1 343.290 3.452 20 10 EGCDMM CCCCc1ccc(CC(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC000782504255 1304983152 /nfs/dbraw/zinc/98/31/52/1304983152.db2.gz VQCCGDJJLHAMNR-UHFFFAOYSA-N -1 1 342.391 3.409 20 10 EGCDMM C[C@]1(C(=O)OCC(=O)c2ccc([O-])c(O)c2)CCc2ccccc2C1 ZINC000783937205 1305165446 /nfs/dbraw/zinc/16/54/46/1305165446.db2.gz CTBLLIHLIYDJHK-FQEVSTJZSA-N -1 1 340.375 3.019 20 10 EGCDMM CC[C@@H](C)Oc1ccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC000784017160 1305177202 /nfs/dbraw/zinc/17/72/02/1305177202.db2.gz JFYMKNHJYPWKHO-GFCCVEGCSA-N -1 1 344.363 3.315 20 10 EGCDMM O=C(COC(=O)c1ccc(C2CCC2)cc1)c1ccc([O-])c(O)c1 ZINC000784932314 1305295598 /nfs/dbraw/zinc/29/55/98/1305295598.db2.gz VIUGWGOAKVIEPI-UHFFFAOYSA-N -1 1 326.348 3.405 20 10 EGCDMM O=C(N[C@@H]1CCSc2c(F)cccc21)c1c(F)ccc(O)c1[O-] ZINC000789956272 1306237936 /nfs/dbraw/zinc/23/79/36/1306237936.db2.gz DCRTVXCGNXGESG-LLVKDONJSA-N -1 1 337.347 3.343 20 10 EGCDMM O=C(NCCc1ccc2ccccc2c1)c1c([O-])c(O)ccc1F ZINC000790070016 1306257172 /nfs/dbraw/zinc/25/71/72/1306257172.db2.gz XWNKBLCIXJHXQZ-UHFFFAOYSA-N -1 1 325.339 3.363 20 10 EGCDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccccc1-c1ccno1 ZINC000790417831 1306322866 /nfs/dbraw/zinc/32/28/66/1306322866.db2.gz QGXWIMDCTJUGNQ-UHFFFAOYSA-N -1 1 344.392 3.410 20 10 EGCDMM [O-]c1ccc(Cl)c(F)c1CNc1ccccc1Cn1cncn1 ZINC000790984315 1308902792 /nfs/dbraw/zinc/90/27/92/1308902792.db2.gz SWKPFSIEGNZQSS-UHFFFAOYSA-N -1 1 332.766 3.437 20 10 EGCDMM COc1cc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)ccc1O ZINC000797820310 1310252632 /nfs/dbraw/zinc/25/26/32/1310252632.db2.gz QPBHEIPAERSZGX-UHFFFAOYSA-N -1 1 347.314 3.220 20 10 EGCDMM O=C(COC(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21)c1ccc([O-])c(O)c1 ZINC000803752620 1317151439 /nfs/dbraw/zinc/15/14/39/1317151439.db2.gz RTFUOHZBEHUGID-VHDGCEQUSA-N -1 1 332.396 3.430 20 10 EGCDMM CC[C@H](Nc1ccc(N(C)CCO)cn1)c1cccc(Cl)c1[O-] ZINC000806154996 1317467520 /nfs/dbraw/zinc/46/75/20/1317467520.db2.gz LFPOIFMHHOKFLT-HNNXBMFYSA-N -1 1 335.835 3.432 20 10 EGCDMM O=S(=O)(Nc1cc(Cl)c([O-])cc1F)c1cccc(F)c1F ZINC000808114691 1317627235 /nfs/dbraw/zinc/62/72/35/1317627235.db2.gz FFJCMSMNVVTCAM-UHFFFAOYSA-N -1 1 337.706 3.264 20 10 EGCDMM COc1cc(CCO)ccc1NCc1c([O-])ccc(Cl)c1F ZINC000809654990 1317857097 /nfs/dbraw/zinc/85/70/97/1317857097.db2.gz WTGQFUAMLDZYHJ-UHFFFAOYSA-N -1 1 325.767 3.340 20 10 EGCDMM CC(=O)c1cc(F)cc(C[NH2+][C@@H](C(=O)[O-])c2cccc(C)c2C)c1[O-] ZINC000905395960 1317953904 /nfs/dbraw/zinc/95/39/04/1317953904.db2.gz RAOIEBSZVJTALU-QGZVFWFLSA-N -1 1 345.370 3.266 20 10 EGCDMM [O-]c1c(F)cc(Cl)cc1CN1CC[C@H](n2cc(Cl)cn2)C1 ZINC000811519843 1318193938 /nfs/dbraw/zinc/19/39/38/1318193938.db2.gz FIQZEEUCCYSSIO-LBPRGKRZSA-N -1 1 330.190 3.482 20 10 EGCDMM O=C(C=Cc1ccc(Cl)cc1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000916590037 1319679546 /nfs/dbraw/zinc/67/95/46/1319679546.db2.gz ATMOKCKUNBYPMZ-BAQGIRSFSA-N -1 1 332.739 3.191 20 10 EGCDMM O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc([O-])c(O)c1 ZINC000916617636 1319686993 /nfs/dbraw/zinc/68/69/93/1319686993.db2.gz QNDJYQUZNIAEPX-UHFFFAOYSA-N -1 1 330.380 3.040 20 10 EGCDMM CCOC(=O)CN(Cc1ccccc1O)Cc1cccc([O-])c1Cl ZINC000822511631 1320091690 /nfs/dbraw/zinc/09/16/90/1320091690.db2.gz KNSSFBWQWYPMIM-UHFFFAOYSA-N -1 1 349.814 3.317 20 10 EGCDMM CCOC(=O)C[N@@H+](Cc1ccc(Br)cc1O)C1CCC1 ZINC000825530052 1320345475 /nfs/dbraw/zinc/34/54/75/1320345475.db2.gz JFAWRPZHWNBUMQ-UHFFFAOYSA-N -1 1 342.233 3.072 20 10 EGCDMM COCCCn1cc(C)c(NCc2cc(Cl)c(F)cc2[O-])n1 ZINC000826686177 1320397995 /nfs/dbraw/zinc/39/79/95/1320397995.db2.gz KKKWGALMGYNKIH-UHFFFAOYSA-N -1 1 327.787 3.338 20 10 EGCDMM COc1ccc(N(C)CCN(C)C(=O)c2cc(Cl)ccc2[O-])cc1 ZINC000844852585 1321650280 /nfs/dbraw/zinc/65/02/80/1321650280.db2.gz RMHJRPSZTWPSDU-UHFFFAOYSA-N -1 1 348.830 3.263 20 10 EGCDMM O=C(Nc1cccc(C(F)(F)F)n1)c1ccc(O)c([O-])c1Cl ZINC001193210197 1367967115 /nfs/dbraw/zinc/96/71/15/1367967115.db2.gz WCMLSWPTSZLAPN-UHFFFAOYSA-N -1 1 332.665 3.417 20 10 EGCDMM C[C@@H](NC(=O)c1ccc(O)c([O-])c1Cl)c1nc2ccccc2[nH]1 ZINC001193237193 1367974783 /nfs/dbraw/zinc/97/47/83/1367974783.db2.gz ZXOPHTFRTIBRGX-MRVPVSSYSA-N -1 1 331.759 3.119 20 10 EGCDMM O=C(NCCc1ccc2[nH]ccc2c1)c1ccc(O)c([O-])c1Cl ZINC001193247062 1367978938 /nfs/dbraw/zinc/97/89/38/1367978938.db2.gz JLMVVUCGJMDOGL-UHFFFAOYSA-N -1 1 330.771 3.205 20 10 EGCDMM CCC(=O)NC1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC001203580254 1370178109 /nfs/dbraw/zinc/17/81/09/1370178109.db2.gz MDPXCROJDZZZKP-UHFFFAOYSA-N -1 1 331.243 3.190 20 10 EGCDMM CN1C[C@@]2(CC1=O)CCCCN2Cc1cc(Cl)cc(Cl)c1[O-] ZINC001203575542 1370175859 /nfs/dbraw/zinc/17/58/59/1370175859.db2.gz QYVNCSSBVCINDQ-INIZCTEOSA-N -1 1 343.254 3.286 20 10 EGCDMM N[C@@]1(C(F)(F)F)CCN(Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001206245677 1371003248 /nfs/dbraw/zinc/00/32/48/1371003248.db2.gz XMCVRVLSPBWHTO-NSHDSACASA-N -1 1 329.149 3.165 20 10 EGCDMM C[C@H](Oc1c([O-])ccc2c1C(=O)c1ccccc1C2=O)c1cnccn1 ZINC001227578822 1375446760 /nfs/dbraw/zinc/44/67/60/1375446760.db2.gz YFDNEPCOLFXYHB-NSHDSACASA-N -1 1 346.342 3.098 20 10 EGCDMM CCOC[C@@H]1CN(Cc2cccc(Cl)c2[O-])Cc2cn(CC)nc21 ZINC001231911122 1376347371 /nfs/dbraw/zinc/34/73/71/1376347371.db2.gz CDJZJUDTMVDJDA-HNNXBMFYSA-N -1 1 349.862 3.398 20 10 EGCDMM COc1ccc(N2CCN(Cc3ccc(F)c([O-])c3F)CC2)c(C)c1 ZINC001232941023 1376542012 /nfs/dbraw/zinc/54/20/12/1376542012.db2.gz SEABQIAZDWHVCD-UHFFFAOYSA-N -1 1 348.393 3.310 20 10 EGCDMM CC(C)COC[C@H]1CN(Cc2c([O-])cccc2F)Cc2ncn(C)c21 ZINC001137834590 1377625540 /nfs/dbraw/zinc/62/55/40/1377625540.db2.gz MAAPEIVCTXZQPG-CQSZACIVSA-N -1 1 347.434 3.037 20 10 EGCDMM Cc1cc(=O)oc2c1ccc([O-])c2CN1CCC(=O)[C@H]2CCCC[C@H]21 ZINC001139126254 1377833988 /nfs/dbraw/zinc/83/39/88/1377833988.db2.gz CTSXJAVQWOADHI-GOEBONIOSA-N -1 1 341.407 3.141 20 10 EGCDMM Cc1cnc2c(c1)CN(Cc1c([O-])ccc3c(C)cc(=O)oc31)CC2 ZINC001139133596 1377835375 /nfs/dbraw/zinc/83/53/75/1377835375.db2.gz ISEBRFSCWFZFNP-UHFFFAOYSA-N -1 1 336.391 3.069 20 10 EGCDMM C[C@@H]1CN(Cc2cc(Cl)cc(Br)c2[O-])CC[C@]1(C)O ZINC001141367772 1378311382 /nfs/dbraw/zinc/31/13/82/1378311382.db2.gz PNKOTILHLBWJRS-OTYXRUKQSA-N -1 1 348.668 3.401 20 10 EGCDMM CO[C@@H](C)C1CN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001141375197 1378313080 /nfs/dbraw/zinc/31/30/80/1378313080.db2.gz YRQYTWRUIIDUFF-QMMMGPOBSA-N -1 1 334.641 3.275 20 10 EGCDMM [O-]c1cc(F)c(F)cc1CN1CCN(Cc2cccc(F)c2)CC1 ZINC001142520375 1378452256 /nfs/dbraw/zinc/45/22/56/1378452256.db2.gz HNEJDDLCXQQHOH-UHFFFAOYSA-N -1 1 336.357 3.127 20 10 EGCDMM C[C@@H]1CN(C(=O)c2ccccc2)CCN1Cc1cc(F)c(F)cc1[O-] ZINC001142530305 1378454404 /nfs/dbraw/zinc/45/44/04/1378454404.db2.gz CFUKEODBDLHBTM-CYBMUJFWSA-N -1 1 346.377 3.017 20 10 EGCDMM Cc1nc(NCC(=O)c2ccc([O-])c(O)c2)c(Cl)cc1Cl ZINC001159279043 1381750327 /nfs/dbraw/zinc/75/03/27/1381750327.db2.gz JEPPDYMPUSKHCR-UHFFFAOYSA-N -1 1 327.167 3.403 20 10 EGCDMM O=C(CNc1cc2cccnc2c2ncccc12)c1ccc([O-])c(O)c1 ZINC001170321632 1384290595 /nfs/dbraw/zinc/29/05/95/1384290595.db2.gz AQRJIQMGELWFDG-UHFFFAOYSA-N -1 1 345.358 3.489 20 10 EGCDMM O=C(CNc1ccc([N+](=O)[O-])c2ccccc12)c1ccc([O-])c(O)c1 ZINC001170323289 1384290597 /nfs/dbraw/zinc/29/05/97/1384290597.db2.gz VQTYTUYRBDMQIB-UHFFFAOYSA-N -1 1 338.319 3.454 20 10 EGCDMM COc1c(C(=O)[N-]c2c3nonc3ccc2Cl)cccc1[N+](=O)[O-] ZINC001329520319 1389140755 /nfs/dbraw/zinc/14/07/55/1389140755.db2.gz VWYDBGMCLCWPNL-UHFFFAOYSA-N -1 1 348.702 3.045 20 10 EGCDMM CN(C)c1cc(F)c(CN2CCC[C@H](CCC(=O)[O-])C2)cc1F ZINC001593710112 954180218 /nfs/dbraw/zinc/18/02/18/954180218.db2.gz ALZRDZLQFXNXOT-GFCCVEGCSA-N -1 1 326.387 3.108 20 10 EGCDMM C[C@H]([NH2+]Cc1ccc(Cl)cc1[O-])[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593298277 994712589 /nfs/dbraw/zinc/71/25/89/994712589.db2.gz HHQWEBMBIHQXMG-BLLLJJGKSA-N -1 1 333.815 3.467 20 10 EGCDMM CCCc1n[n-]c(=S)n1CC(=O)N(CCC)Cc1ccccc1O ZINC000069416884 454103397 /nfs/dbraw/zinc/10/33/97/454103397.db2.gz ZMCFVEVLMVCSRY-UHFFFAOYSA-N -1 1 348.472 3.038 20 10 EGCDMM CC(=O)c1cc(Cl)cc(CN2CCC[C@@H]2c2nc(C)no2)c1[O-] ZINC000285526488 455863502 /nfs/dbraw/zinc/86/35/02/455863502.db2.gz FDZNLEKSLYMOGV-CQSZACIVSA-N -1 1 335.791 3.277 20 10 EGCDMM CC(=O)c1cc(Cl)cc(CN2CCOC[C@@H]2c2ccco2)c1[O-] ZINC000364229986 457537509 /nfs/dbraw/zinc/53/75/09/457537509.db2.gz JGGWQIADIRWPMS-OAHLLOKOSA-N -1 1 335.787 3.415 20 10 EGCDMM [O-]c1ccc(Br)cc1C[NH+]1CCC([C@@H]2CCOC2)CC1 ZINC000373253680 458444209 /nfs/dbraw/zinc/44/42/09/458444209.db2.gz VVMGLDQOYKNZLD-CYBMUJFWSA-N -1 1 340.261 3.403 20 10 EGCDMM O=C1[N-]C(=S)S/C1=C/c1csc(-c2ccc3c(c2)OCO3)n1 ZINC000728437654 574749361 /nfs/dbraw/zinc/74/93/61/574749361.db2.gz GFWXPAQGBYNNEA-NYYWCZLTSA-N -1 1 348.430 3.028 20 10 EGCDMM CNc1c(Cl)ncnc1NCc1cccc(Br)c1[O-] ZINC000764935595 575231085 /nfs/dbraw/zinc/23/10/85/575231085.db2.gz ZCMKAUIDAXYNBY-UHFFFAOYSA-N -1 1 343.612 3.252 20 10 EGCDMM CNC(=O)c1cccc(NCc2cccc(Br)c2[O-])c1 ZINC000048795083 1291619183 /nfs/dbraw/zinc/61/91/83/1291619183.db2.gz IXSLWZZOLOWLFF-UHFFFAOYSA-N -1 1 335.201 3.126 20 10 EGCDMM CN(C)c1cccc2c1cccc2S(=O)(=O)[N-]c1ccc(O)cc1 ZINC000096583124 1292951661 /nfs/dbraw/zinc/95/16/61/1292951661.db2.gz ZDLFVZIICPPJKZ-UHFFFAOYSA-N -1 1 342.420 3.412 20 10 EGCDMM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(O)cc1 ZINC000125459566 1293507581 /nfs/dbraw/zinc/50/75/81/1293507581.db2.gz IEMHYUVCGYBFHA-UHFFFAOYSA-N -1 1 342.760 3.063 20 10 EGCDMM C[N@H+](Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-])[C@H]1CCSC1 ZINC000755789044 1300396679 /nfs/dbraw/zinc/39/66/79/1300396679.db2.gz ICYLYNFNWMJJPM-AWEZNQCLSA-N -1 1 343.448 3.266 20 10 EGCDMM C[N@@H+](Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-])[C@H]1CCSC1 ZINC000755789044 1300396690 /nfs/dbraw/zinc/39/66/90/1300396690.db2.gz ICYLYNFNWMJJPM-AWEZNQCLSA-N -1 1 343.448 3.266 20 10 EGCDMM CC(C)(C)CCNC(=O)NCc1cccc(Br)c1[O-] ZINC000764760503 1302129757 /nfs/dbraw/zinc/12/97/57/1302129757.db2.gz HMUZWMJPEFMSHG-UHFFFAOYSA-N -1 1 329.238 3.390 20 10 EGCDMM Cc1ccc(C(=O)NCc2cccc(Br)c2[O-])c(O)c1 ZINC000765728783 1302314288 /nfs/dbraw/zinc/31/42/88/1302314288.db2.gz NRPHUYMVJHFKEI-UHFFFAOYSA-N -1 1 336.185 3.099 20 10 EGCDMM CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OC(C)C)cc1 ZINC000766047390 1302377352 /nfs/dbraw/zinc/37/73/52/1302377352.db2.gz HDRDFQZMGQDSAI-UHFFFAOYSA-N -1 1 349.408 3.183 20 10 EGCDMM COc1c([O-])c(C[N@H+]2Cc3ccccc3C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000774909447 1303876029 /nfs/dbraw/zinc/87/60/29/1303876029.db2.gz QCBRHBHVPJGSLI-LBPRGKRZSA-N -1 1 328.368 3.256 20 10 EGCDMM COc1c([O-])c(C[NH2+]Cc2ccc([C@H]3C[C@@H]3C)o2)ccc1[N+](=O)[O-] ZINC000774974972 1303884950 /nfs/dbraw/zinc/88/49/50/1303884950.db2.gz GPTQVDHYDYELKS-GWCFXTLKSA-N -1 1 332.356 3.315 20 10 EGCDMM COC(=O)C1(N(C)Cc2cc(Cl)cc(F)c2[O-])CCCCC1 ZINC000775694112 1304016829 /nfs/dbraw/zinc/01/68/29/1304016829.db2.gz GAXFBSRJGRVYFB-UHFFFAOYSA-N -1 1 329.799 3.492 20 10 EGCDMM CC(C)(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2)cc1 ZINC000776745956 1304192493 /nfs/dbraw/zinc/19/24/93/1304192493.db2.gz RNRVAXSHJJTDSR-UHFFFAOYSA-N -1 1 333.409 3.422 20 10 EGCDMM O=C(C=Cc1ccc(Cl)s1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000782251383 1304939594 /nfs/dbraw/zinc/93/95/94/1304939594.db2.gz DNMARQNEYXMFOK-ZZXKWVIFSA-N -1 1 338.768 3.252 20 10 EGCDMM CC(C)c1ccc(OCC(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC000782523128 1304984872 /nfs/dbraw/zinc/98/48/72/1304984872.db2.gz MRERTGYCNZCBBZ-UHFFFAOYSA-N -1 1 344.363 3.026 20 10 EGCDMM O=C(CCc1cccc(Cl)c1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000782620396 1304993777 /nfs/dbraw/zinc/99/37/77/1304993777.db2.gz QUEGBIFQJMYHCX-UHFFFAOYSA-N -1 1 334.755 3.110 20 10 EGCDMM CC[C@H](CC(=O)OCC(=O)c1ccc([O-])c(O)c1)c1ccccc1 ZINC000783481026 1305097197 /nfs/dbraw/zinc/09/71/97/1305097197.db2.gz WWKUPSUUBUFVBL-CYBMUJFWSA-N -1 1 328.364 3.408 20 10 EGCDMM NC(=O)N1CCc2ccc(NCc3c([O-])ccc(Cl)c3F)cc21 ZINC000785570603 1305380798 /nfs/dbraw/zinc/38/07/98/1305380798.db2.gz BOZDPKXNWXSMPY-UHFFFAOYSA-N -1 1 335.766 3.238 20 10 EGCDMM NC(=O)N1CCc2ccc(NCc3cc(Cl)cc(F)c3[O-])cc21 ZINC000787315499 1305731302 /nfs/dbraw/zinc/73/13/02/1305731302.db2.gz YIINKGRCMVYMHO-UHFFFAOYSA-N -1 1 335.766 3.238 20 10 EGCDMM Cc1ccc(C(=O)[O-])cc1NCc1ccc(N2CCN(C)CC2)cc1 ZINC000789898671 1306229276 /nfs/dbraw/zinc/22/92/76/1306229276.db2.gz YADWMIBTOJTBCE-UHFFFAOYSA-N -1 1 339.439 3.057 20 10 EGCDMM CSc1cc(O)ccc1[N-]S(=O)(=O)c1cccc(C(C)=O)c1 ZINC000792702663 1309212144 /nfs/dbraw/zinc/21/21/44/1309212144.db2.gz CLPABGUFWNPPEX-UHFFFAOYSA-N -1 1 337.422 3.118 20 10 EGCDMM Cc1cc(N(C)C)ccc1CN[C@@H](C(=O)[O-])c1cc(F)ccc1F ZINC000901638068 1317456130 /nfs/dbraw/zinc/45/61/30/1317456130.db2.gz ULWKDOCGTNXJES-QGZVFWFLSA-N -1 1 334.366 3.255 20 10 EGCDMM CC[C@H](NCc1nnnn1-c1ccccc1)c1cccc(Cl)c1[O-] ZINC000806134718 1317464473 /nfs/dbraw/zinc/46/44/73/1317464473.db2.gz NLBCPWDOWFKDNA-HNNXBMFYSA-N -1 1 343.818 3.262 20 10 EGCDMM CC(C)Cc1nnc(NCc2cc(Br)cc(F)c2[O-])o1 ZINC000905408408 1317956175 /nfs/dbraw/zinc/95/61/75/1317956175.db2.gz SZDUGTGMXFRBDG-UHFFFAOYSA-N -1 1 344.184 3.487 20 10 EGCDMM COc1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1NC(N)=O ZINC000816593712 1319190126 /nfs/dbraw/zinc/19/01/26/1319190126.db2.gz BENGMIDEWLVKRL-UHFFFAOYSA-N -1 1 339.754 3.296 20 10 EGCDMM CC(C)n1cc(C(C)(C)NCc2cc(Cl)cc(F)c2[O-])nn1 ZINC000817420488 1319356414 /nfs/dbraw/zinc/35/64/14/1319356414.db2.gz UAQQUPZDVHDESC-UHFFFAOYSA-N -1 1 326.803 3.382 20 10 EGCDMM CC1(C(=O)NCc2cccc(Br)c2[O-])CC(F)(F)C1 ZINC000822459655 1320083798 /nfs/dbraw/zinc/08/37/98/1320083798.db2.gz XTWQMOIRJGCDOQ-UHFFFAOYSA-N -1 1 334.160 3.206 20 10 EGCDMM CC[C@H](NC(=O)NCc1cccc(Br)c1[O-])C1CC1 ZINC000852593113 1323212383 /nfs/dbraw/zinc/21/23/83/1323212383.db2.gz CRHZPGJNJXNRAO-LBPRGKRZSA-N -1 1 327.222 3.143 20 10 EGCDMM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1cc(F)c(O)c(F)c1 ZINC001191821271 1367601887 /nfs/dbraw/zinc/60/18/87/1367601887.db2.gz GSZANBWSJIPGOV-UHFFFAOYSA-N -1 1 343.351 3.178 20 10 EGCDMM Cn1cncc1Nc1c(CC(=O)[O-])cccc1C(=O)c1ccccc1 ZINC001211251238 1372512487 /nfs/dbraw/zinc/51/24/87/1372512487.db2.gz WSJRRMZGKAOBLM-UHFFFAOYSA-N -1 1 335.363 3.022 20 10 EGCDMM Cc1cccnc1OC1CCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC001233079429 1376564653 /nfs/dbraw/zinc/56/46/53/1376564653.db2.gz BWZFCTKZJYRZPO-UHFFFAOYSA-N -1 1 334.366 3.417 20 10 EGCDMM [O-]c1c(Cl)cc(F)cc1CN1CCCC[C@@](O)(C(F)(F)F)C1 ZINC001237804376 1376987897 /nfs/dbraw/zinc/98/78/97/1376987897.db2.gz COCVRZZIRRBTQC-ZDUSSCGKSA-N -1 1 341.732 3.464 20 10 EGCDMM C[C@H]1CN(Cc2c([O-])cccc2Cl)Cc2nnc(C(F)(F)F)n21 ZINC001140341784 1378050335 /nfs/dbraw/zinc/05/03/35/1378050335.db2.gz HOWWIPMYCQYBFX-QMMMGPOBSA-N -1 1 346.740 3.233 20 10 EGCDMM [O-]c1cc(F)cc(F)c1CN1CCN(C2(c3ccccc3)CC2)CC1 ZINC001140585974 1378091267 /nfs/dbraw/zinc/09/12/67/1378091267.db2.gz XYSPDBVLEJWGGZ-UHFFFAOYSA-N -1 1 344.405 3.477 20 10 EGCDMM C[C@@H]1CCN(Cc2cc(Cl)cc(Br)c2[O-])C[C@@H]1O ZINC001141367613 1378311821 /nfs/dbraw/zinc/31/18/21/1378311821.db2.gz IIONKLAUSOMHDM-PELKAZGASA-N -1 1 334.641 3.011 20 10 EGCDMM Cc1nc([C@@H]2COCCN2Cc2cc(F)c(F)cc2[O-])cs1 ZINC001142513156 1378451054 /nfs/dbraw/zinc/45/10/54/1378451054.db2.gz ZOUROESNKJWQEP-AWEZNQCLSA-N -1 1 326.368 3.009 20 10 EGCDMM CCOC(=O)CN(Cc1ccccc1)Cc1cc(F)c(F)cc1[O-] ZINC001142509165 1378451622 /nfs/dbraw/zinc/45/16/22/1378451622.db2.gz ZGCVNTSPUZGIBJ-UHFFFAOYSA-N -1 1 335.350 3.236 20 10 EGCDMM O=C(c1cc2cccc(O)c2cc1[O-])N1CCc2cccc(O)c2C1 ZINC001149647232 1379418657 /nfs/dbraw/zinc/41/86/57/1379418657.db2.gz VGROMGXWKZZSOQ-UHFFFAOYSA-N -1 1 335.359 3.155 20 10 EGCDMM CCOC(=O)c1ccc(Cl)c(NCC(=O)c2ccc([O-])c(O)c2)c1 ZINC001170316416 1384289410 /nfs/dbraw/zinc/28/94/10/1384289410.db2.gz QDZLPQIFUOWDKM-UHFFFAOYSA-N -1 1 349.770 3.223 20 10 EGCDMM O=C1c2ccccc2C(=O)c2cc(Nc3cnn(C4CC4)c3)c([O-])cc21 ZINC001175961708 1385446534 /nfs/dbraw/zinc/44/65/34/1385446534.db2.gz MLMIKDQTTNJMQN-UHFFFAOYSA-N -1 1 345.358 3.443 20 10 EGCDMM O=C(COC(=O)C1(Sc2ccccc2)CC1)c1ccc([O-])c(O)c1 ZINC001320882872 1386747066 /nfs/dbraw/zinc/74/70/66/1386747066.db2.gz BELLLBDWAOHHHW-UHFFFAOYSA-N -1 1 344.388 3.149 20 10 EGCDMM Cc1cc(NCc2ccc(N3CCN(C)CC3)cc2)ccc1C(=O)[O-] ZINC000840996626 979297816 /nfs/dbraw/zinc/29/78/16/979297816.db2.gz DTTZFIBUTMKTKT-UHFFFAOYSA-N -1 1 339.439 3.057 20 10 EGCDMM CCOc1ccc(N2CCN(Cc3cccc(C(=O)[O-])c3)CC2)cc1 ZINC001597112033 986774605 /nfs/dbraw/zinc/77/46/05/986774605.db2.gz QGAHLNLCSZAVNB-UHFFFAOYSA-N -1 1 340.423 3.106 20 10 EGCDMM C[N@H+](Cc1ccc(OCC(=O)[O-])cc1)Cc1cc(Cl)ccc1[O-] ZINC001598523607 992690412 /nfs/dbraw/zinc/69/04/12/992690412.db2.gz KDOHWWQJGSXDDF-UHFFFAOYSA-N -1 1 335.787 3.141 20 10 EGCDMM C[N@@H+](Cc1ccc(OCC(=O)[O-])cc1)Cc1cc(Cl)ccc1[O-] ZINC001598523607 992690415 /nfs/dbraw/zinc/69/04/15/992690415.db2.gz KDOHWWQJGSXDDF-UHFFFAOYSA-N -1 1 335.787 3.141 20 10 EGCDMM CC(=O)c1cc(Cl)cc(CN2CCCN(CC(F)F)CC2)c1[O-] ZINC000091083963 454380869 /nfs/dbraw/zinc/38/08/69/454380869.db2.gz XEZLJPOHWMJHSN-UHFFFAOYSA-N -1 1 346.805 3.021 20 10 EGCDMM CCc1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)c([O-])c1 ZINC000188035353 455984122 /nfs/dbraw/zinc/98/41/22/455984122.db2.gz XFYFSGFQLQQFAI-UHFFFAOYSA-N -1 1 326.396 3.060 20 10 EGCDMM CON(Cc1cc(Cl)cc(C(C)=O)c1[O-])CC1CCOCC1 ZINC000282343873 456484199 /nfs/dbraw/zinc/48/41/99/456484199.db2.gz AEJHMYGEORVUIA-UHFFFAOYSA-N -1 1 327.808 3.038 20 10 EGCDMM CSC(C)(C)CNC(=O)NCc1cccc(Br)c1[O-] ZINC000277334546 456783265 /nfs/dbraw/zinc/78/32/65/456783265.db2.gz FHMSNDGMBLZZSI-UHFFFAOYSA-N -1 1 347.278 3.096 20 10 EGCDMM CC(=O)N[C@H]1Cc2ccccc2N(Cc2cccc(Cl)c2[O-])C1 ZINC000367990918 458003758 /nfs/dbraw/zinc/00/37/58/458003758.db2.gz SDZAWLNQGVRPIH-HNNXBMFYSA-N -1 1 330.815 3.113 20 10 EGCDMM COc1ccc2ccc(O)c(C[N@@H+](C[C@H](C)C(=O)[O-])C3CC3)c2c1 ZINC000738079790 574666780 /nfs/dbraw/zinc/66/67/80/574666780.db2.gz SELQFTZASRNWEZ-LBPRGKRZSA-N -1 1 329.396 3.239 20 10 EGCDMM CCCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C)cc1 ZINC000740705003 576618076 /nfs/dbraw/zinc/61/80/76/576618076.db2.gz DJLWYWQVDAPAMS-UHFFFAOYSA-N -1 1 349.408 3.068 20 10 EGCDMM CN1C(=O)c2ccccc2N[C@H]1c1cccc(Br)c1[O-] ZINC000048622122 1291614818 /nfs/dbraw/zinc/61/48/18/1291614818.db2.gz KCGPFYXSEVGAEB-CQSZACIVSA-N -1 1 333.185 3.351 20 10 EGCDMM O=C(CCCc1cccnc1)NCc1cccc(Br)c1[O-] ZINC000834475789 1293102821 /nfs/dbraw/zinc/10/28/21/1293102821.db2.gz DDFDZJXZRPKWFF-UHFFFAOYSA-N -1 1 349.228 3.189 20 10 EGCDMM O=C(c1c([O-])c(O)ccc1F)N1CCC(Oc2cccc(F)c2)CC1 ZINC000530265611 1297993591 /nfs/dbraw/zinc/99/35/91/1297993591.db2.gz PEWOWIMACOACHK-UHFFFAOYSA-N -1 1 349.333 3.060 20 10 EGCDMM COC[C@H]([NH2+]Cc1cc(F)cc(F)c1O)c1ccc(F)c(F)c1 ZINC000883082793 1302238350 /nfs/dbraw/zinc/23/83/50/1302238350.db2.gz QPGKCPZHEQTWEO-HNNXBMFYSA-N -1 1 329.293 3.426 20 10 EGCDMM O=C(NCc1cccc(Br)c1[O-])c1cc2ccccn2c1 ZINC000765729552 1302314182 /nfs/dbraw/zinc/31/41/82/1302314182.db2.gz OMOHZTRVCXOHLA-UHFFFAOYSA-N -1 1 345.196 3.337 20 10 EGCDMM O=C(NCc1cccc(Br)c1[O-])[C@@H](F)c1ccccc1 ZINC000765732164 1302315007 /nfs/dbraw/zinc/31/50/07/1302315007.db2.gz QFYBOJSLEKZBNS-ZDUSSCGKSA-N -1 1 338.176 3.482 20 10 EGCDMM Cn1cc(Cl)cc1C(=O)NCc1cccc(Br)c1[O-] ZINC000765750826 1302318703 /nfs/dbraw/zinc/31/87/03/1302318703.db2.gz LPLLXECYNAYYNR-UHFFFAOYSA-N -1 1 343.608 3.077 20 10 EGCDMM O=C(NCc1cccc(Br)c1[O-])[C@H]1CCCCS1 ZINC000765765237 1302320225 /nfs/dbraw/zinc/32/02/25/1302320225.db2.gz QFNCWLDVBFFHFW-LLVKDONJSA-N -1 1 330.247 3.057 20 10 EGCDMM Cc1ccc2ncccc2c1S(=O)(=O)[N-]c1ccc(O)c(C)c1 ZINC000776747374 1304192037 /nfs/dbraw/zinc/19/20/37/1304192037.db2.gz CMXQYOMOTFTGSN-UHFFFAOYSA-N -1 1 328.393 3.358 20 10 EGCDMM Cc1ccc(N2CCNC2=O)cc1NCc1cccc(Cl)c1[O-] ZINC000787310420 1305729010 /nfs/dbraw/zinc/72/90/10/1305729010.db2.gz MMGUTJFPAPBUAL-UHFFFAOYSA-N -1 1 331.803 3.496 20 10 EGCDMM Cc1ccc(C)n1-c1ccc(C(=O)N=c2ccnc3n(C)[n-]cc2-3)cc1 ZINC000791168002 1308930728 /nfs/dbraw/zinc/93/07/28/1308930728.db2.gz SRRRJBHFFYSACL-UHFFFAOYSA-N -1 1 345.406 3.002 20 10 EGCDMM C[C@@H]1CC[C@@H](CNC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000793276332 1309337564 /nfs/dbraw/zinc/33/75/64/1309337564.db2.gz WPCAEYPJSHMUMO-GHMZBOCLSA-N -1 1 341.249 3.390 20 10 EGCDMM Cc1c(NCc2cccc(Cl)c2[O-])cccc1N1C(=O)CNC1=O ZINC000793350620 1309352090 /nfs/dbraw/zinc/35/20/90/1309352090.db2.gz CQVGLNSKONCPNM-UHFFFAOYSA-N -1 1 345.786 3.022 20 10 EGCDMM [O-]c1c(Cl)cc(Cl)cc1CN1CC[C@](CO)(C(F)(F)F)C1 ZINC000895848200 1309558269 /nfs/dbraw/zinc/55/82/69/1309558269.db2.gz YCTONDMGAAZAKO-LBPRGKRZSA-N -1 1 344.160 3.446 20 10 EGCDMM [O-]c1c(F)cc(Br)cc1CNc1nc(C2CC2)no1 ZINC000905412397 1317956110 /nfs/dbraw/zinc/95/61/10/1317956110.db2.gz UXZGLXCUVPJPJV-UHFFFAOYSA-N -1 1 328.141 3.166 20 10 EGCDMM [O-]c1ccc(Cl)c(F)c1CNc1ccc(COCCO)cc1 ZINC000818233797 1319523933 /nfs/dbraw/zinc/52/39/33/1319523933.db2.gz OITPUTXFOKFRGM-UHFFFAOYSA-N -1 1 325.767 3.306 20 10 EGCDMM O=C(C=Cc1ccc2ccccc2n1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000916594056 1319681714 /nfs/dbraw/zinc/68/17/14/1319681714.db2.gz MEFWFCRGGYVSGQ-NTMALXAHSA-N -1 1 349.342 3.085 20 10 EGCDMM O=C(COC(=O)c1cc(Cl)cc(Cl)c1)c1ccc([O-])c(O)c1 ZINC000916621155 1319687117 /nfs/dbraw/zinc/68/71/17/1319687117.db2.gz GZSPZQNNEHZYHZ-UHFFFAOYSA-N -1 1 341.146 3.444 20 10 EGCDMM CCN(CC)c1ccc(CNC(=O)c2c(F)ccc(O)c2[O-])cc1 ZINC000825493541 1320342524 /nfs/dbraw/zinc/34/25/24/1320342524.db2.gz RUXBXXOOFVLDMH-UHFFFAOYSA-N -1 1 332.375 3.013 20 10 EGCDMM O=[N+]([O-])c1cc(Cl)cc(CN2C[C@H](O)C[C@@H]2c2ccccc2)c1[O-] ZINC000840956384 1321185349 /nfs/dbraw/zinc/18/53/49/1321185349.db2.gz SSGQSNRQLIMALZ-HUUCEWRRSA-N -1 1 348.786 3.262 20 10 EGCDMM Cc1cc(Br)c([O-])c(C[N@H+]2CCC[C@@H](CC(=O)[O-])C2)c1 ZINC000840997233 1321196116 /nfs/dbraw/zinc/19/61/16/1321196116.db2.gz OPIWLJNYAVKSEX-NSHDSACASA-N -1 1 342.233 3.150 20 10 EGCDMM COC[C@@](C)(NCc1cc(Cl)cc(C(C)=O)c1[O-])C(F)(F)F ZINC000852718379 1323231687 /nfs/dbraw/zinc/23/16/87/1323231687.db2.gz ZVLIPDFSBPLFKE-CYBMUJFWSA-N -1 1 339.741 3.305 20 10 EGCDMM CC[C@H](NCc1nnc(C)n1C)c1cc(Cl)cc(Cl)c1[O-] ZINC001322975259 1387258394 /nfs/dbraw/zinc/25/83/94/1387258394.db2.gz OZMIMRDRCNVXCP-LBPRGKRZSA-N -1 1 329.231 3.377 20 10 EGCDMM Cc1cc([N-]S(=O)(=O)c2ccc(-c3cnco3)cc2)c(C)cc1O ZINC001185222286 1387655559 /nfs/dbraw/zinc/65/55/59/1387655559.db2.gz PMZOGFDKNOYHHC-UHFFFAOYSA-N -1 1 344.392 3.465 20 10 EGCDMM O=C(NCC(=O)c1ccc([O-])c(O)c1)Oc1ccc2ccccc2c1 ZINC001194670811 1368305881 /nfs/dbraw/zinc/30/58/81/1368305881.db2.gz KJKSRXINJFXSIS-UHFFFAOYSA-N -1 1 337.331 3.222 20 10 EGCDMM COc1cc(C)c(S(=O)(=O)Nc2ccc([O-])c(F)c2F)c(C)c1 ZINC001196877600 1368704880 /nfs/dbraw/zinc/70/48/80/1368704880.db2.gz HNDPEDGGYVYRDB-UHFFFAOYSA-N -1 1 343.351 3.097 20 10 EGCDMM COC(=O)C[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001203582181 1370178789 /nfs/dbraw/zinc/17/87/89/1370178789.db2.gz VFYWIUACVDUNAA-SNVBAGLBSA-N -1 1 332.227 3.474 20 10 EGCDMM O=c1[nH]cccc1Nc1cc2c(cc1[O-])C(=O)c1ccccc1C2=O ZINC001206464799 1371061805 /nfs/dbraw/zinc/06/18/05/1371061805.db2.gz RTAWYWPBPBKABG-UHFFFAOYSA-N -1 1 332.315 3.012 20 10 EGCDMM C[C@H](NC(=O)c1c(F)ccc(O)c1[O-])c1nc(C(C)(C)C)cs1 ZINC001326242779 1388133042 /nfs/dbraw/zinc/13/30/42/1388133042.db2.gz WXWXDHGTRCSEDK-QMMMGPOBSA-N -1 1 338.404 3.482 20 10 EGCDMM O=c1cccc(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)[nH]1 ZINC001212791484 1372772767 /nfs/dbraw/zinc/77/27/67/1372772767.db2.gz OIVKNWLACCIHKY-UHFFFAOYSA-N -1 1 332.315 3.012 20 10 EGCDMM O=C1C[C@H](c2ccc(O)c(O)c2)Oc2cc([O-])cc(OC3CCC3)c21 ZINC001228194365 1375526546 /nfs/dbraw/zinc/52/65/46/1375526546.db2.gz PZJFOVKQLHCOPC-MRXNPFEDSA-N -1 1 342.347 3.441 20 10 EGCDMM O=C([O-])c1ccc(O)c(CN2CCn3cccc3[C@H]2c2ccccc2)c1 ZINC001231559698 1376265786 /nfs/dbraw/zinc/26/57/86/1376265786.db2.gz ITKZQCFXKNZLQX-HXUWFJFHSA-N -1 1 348.402 3.497 20 10 EGCDMM Cc1cncc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2[O-])c1 ZINC001251387693 1377085464 /nfs/dbraw/zinc/08/54/64/1377085464.db2.gz FUILAGSSDDZHOQ-UHFFFAOYSA-N -1 1 333.196 3.203 20 10 EGCDMM O=C1CN(Cc2c([O-])cccc2F)CCN1c1ccccc1Cl ZINC001137841388 1377628320 /nfs/dbraw/zinc/62/83/20/1377628320.db2.gz CLVBFCLZAWCUOW-UHFFFAOYSA-N -1 1 334.778 3.034 20 10 EGCDMM C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N1Cc1c([O-])cccc1F ZINC001137840156 1377628808 /nfs/dbraw/zinc/62/88/08/1377628808.db2.gz RZQMPSHTMZJFKP-CHWSQXEVSA-N -1 1 338.423 3.361 20 10 EGCDMM CC(C)COC[C@@H]1CN(Cc2cccc(F)c2[O-])Cc2ncn(C)c21 ZINC001138125728 1377680736 /nfs/dbraw/zinc/68/07/36/1377680736.db2.gz WJPWKYRGPGUFGL-HNNXBMFYSA-N -1 1 347.434 3.037 20 10 EGCDMM COC(=O)c1ccc(C2CN(Cc3c([O-])cc(F)cc3F)C2)cc1 ZINC001140585933 1378091218 /nfs/dbraw/zinc/09/12/18/1378091218.db2.gz WNTMYRWPVCPHPA-UHFFFAOYSA-N -1 1 333.334 3.056 20 10 EGCDMM [O-]c1cc(F)c(F)cc1CN1CC(Oc2ccc(F)c(F)c2)C1 ZINC001142524788 1378453531 /nfs/dbraw/zinc/45/35/31/1378453531.db2.gz KTGAVHPPBLOHEY-UHFFFAOYSA-N -1 1 327.277 3.212 20 10 EGCDMM O=C(CNc1nc(Cl)nc2c(F)cccc12)c1ccc([O-])c(O)c1 ZINC001159276446 1381749728 /nfs/dbraw/zinc/74/97/28/1381749728.db2.gz INSJHIQIDMMYIL-UHFFFAOYSA-N -1 1 347.733 3.128 20 10 EGCDMM Cc1cc(NCC(=O)c2ccc([O-])c(O)c2)nc(-c2ccsc2)n1 ZINC001159280418 1381749957 /nfs/dbraw/zinc/74/99/57/1381749957.db2.gz PTJYYDNGRPZKOO-UHFFFAOYSA-N -1 1 341.392 3.220 20 10 EGCDMM CN1CCN(c2ccc(CNc3cc(F)ccc3[S-])cc2)CC1 ZINC001167437377 1383633998 /nfs/dbraw/zinc/63/39/98/1383633998.db2.gz SUUYGEHGQJPXMS-UHFFFAOYSA-N -1 1 331.460 3.478 20 10 EGCDMM CC(C)n1cc(NCc2cc(Cl)c3cccnc3c2[O-])cnc1=O ZINC001168525959 1383930597 /nfs/dbraw/zinc/93/05/97/1383930597.db2.gz NEIWMYOTQWVZTE-UHFFFAOYSA-N -1 1 344.802 3.344 20 10 EGCDMM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]c1c2nonc2ccc1Cl ZINC001346941104 1390987854 /nfs/dbraw/zinc/98/78/54/1390987854.db2.gz NOOSCBAPHCJMCB-UHFFFAOYSA-N -1 1 348.702 3.045 20 10 EGCDMM O=C([O-])c1cccc(C[NH2+]Cc2ccc(Br)cc2[O-])c1 ZINC001595244992 949510946 /nfs/dbraw/zinc/51/09/46/949510946.db2.gz LMDROAIFJYIWAS-UHFFFAOYSA-N -1 1 336.185 3.143 20 10 EGCDMM O=C([O-])CC[C@H]1CCC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000706658223 954955147 /nfs/dbraw/zinc/95/51/47/954955147.db2.gz SIVIWLDYKCUPJT-LLVKDONJSA-N -1 1 342.233 3.232 20 10 EGCDMM O=C([O-])CC[C@H]1CCC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000706658223 954955155 /nfs/dbraw/zinc/95/51/55/954955155.db2.gz SIVIWLDYKCUPJT-LLVKDONJSA-N -1 1 342.233 3.232 20 10 EGCDMM O=C([O-])CCC1CC[NH+](Cc2ccc(Br)cc2[O-])CC1 ZINC000691424604 976355113 /nfs/dbraw/zinc/35/51/13/976355113.db2.gz UBLRPYPSRDRSJD-UHFFFAOYSA-N -1 1 342.233 3.232 20 10 EGCDMM C[C@H](C[N@@H+](Cc1ccccc1)Cc1ccc(F)c(F)c1[O-])C(=O)[O-] ZINC001592604637 978545491 /nfs/dbraw/zinc/54/54/91/978545491.db2.gz JVFKOJKEEXFDAJ-GFCCVEGCSA-N -1 1 335.350 3.393 20 10 EGCDMM C[C@@H]1C[C@H](C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])C[C@H](C)O1 ZINC001599933310 985352472 /nfs/dbraw/zinc/35/24/72/985352472.db2.gz BQQNRJVCJHEGDM-ITGUQSILSA-N -1 1 341.835 3.136 20 10 EGCDMM C[C@@H]1C[C@H](C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])C[C@H](C)O1 ZINC001599933310 985352483 /nfs/dbraw/zinc/35/24/83/985352483.db2.gz BQQNRJVCJHEGDM-ITGUQSILSA-N -1 1 341.835 3.136 20 10 EGCDMM CCOCCC[N@@H+](Cc1c([O-])cc(C)cc1Cl)C[C@H](C)C(=O)[O-] ZINC001596914767 985932538 /nfs/dbraw/zinc/93/25/38/985932538.db2.gz IYRBCTUIGIWHMJ-ZDUSSCGKSA-N -1 1 343.851 3.303 20 10 EGCDMM CCOCCC[N@H+](Cc1c([O-])cc(C)cc1Cl)C[C@H](C)C(=O)[O-] ZINC001596914767 985932557 /nfs/dbraw/zinc/93/25/57/985932557.db2.gz IYRBCTUIGIWHMJ-ZDUSSCGKSA-N -1 1 343.851 3.303 20 10 EGCDMM COc1cccc(CN2CCC[C@@H]2c2nc(C(=O)[O-])c(C)s2)c1O ZINC001599673796 994861909 /nfs/dbraw/zinc/86/19/09/994861909.db2.gz VNICVIAHSAFIMD-GFCCVEGCSA-N -1 1 348.424 3.201 20 10 EGCDMM COc1ccc(C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cc1C ZINC001599558814 998148344 /nfs/dbraw/zinc/14/83/44/998148344.db2.gz MNBQZUBBIXEAHA-UHFFFAOYSA-N -1 1 349.814 3.449 20 10 EGCDMM COc1ccc(C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cc1C ZINC001599558814 998148347 /nfs/dbraw/zinc/14/83/47/998148347.db2.gz MNBQZUBBIXEAHA-UHFFFAOYSA-N -1 1 349.814 3.449 20 10 EGCDMM CCOc1ccc(-c2noc(C[N@@H+](C)Cc3ccccc3O)n2)cc1 ZINC000109769704 454835846 /nfs/dbraw/zinc/83/58/46/454835846.db2.gz KYQLRJOLENGESZ-UHFFFAOYSA-N -1 1 339.395 3.473 20 10 EGCDMM C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)N(C)Cc1ccccc1O ZINC000109771284 454836213 /nfs/dbraw/zinc/83/62/13/454836213.db2.gz OHZUNJVENCOLDF-UONOGXRCSA-N -1 1 330.403 3.229 20 10 EGCDMM O=C(CSC(F)(F)F)NCc1cccc(Br)c1[O-] ZINC000277560114 455598624 /nfs/dbraw/zinc/59/86/24/455598624.db2.gz PHTCWZMDCJNLNE-UHFFFAOYSA-N -1 1 344.152 3.024 20 10 EGCDMM CC(=O)NCC[N@@H+](Cc1ccsc1)Cc1cccc(Cl)c1[O-] ZINC000282924851 456666384 /nfs/dbraw/zinc/66/63/84/456666384.db2.gz FKSMEVZDTRTOFZ-UHFFFAOYSA-N -1 1 338.860 3.245 20 10 EGCDMM CC[C@@]([NH2+]Cc1cc(F)cc(C(C)=O)c1[O-])(C(=O)[O-])c1ccccc1 ZINC000828988832 601151239 /nfs/dbraw/zinc/15/12/39/601151239.db2.gz GNCQZRUJBUOSDR-IBGZPJMESA-N -1 1 345.370 3.214 20 10 EGCDMM O=C(COC(=O)C1(Cc2ccccc2)CCC1)c1ccc([O-])c(O)c1 ZINC000784124034 1305194396 /nfs/dbraw/zinc/19/43/96/1305194396.db2.gz WITAAFNBEUSXEU-UHFFFAOYSA-N -1 1 340.375 3.237 20 10 EGCDMM COc1ccc(-c2nc(C=C3SC(=S)[N-]C3=O)cs2)cc1 ZINC000009154020 1291107597 /nfs/dbraw/zinc/10/75/97/1291107597.db2.gz UUJYNHUSJXGYJL-WDZFZDKYSA-N -1 1 334.447 3.308 20 10 EGCDMM CC(C)c1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1 ZINC000055112675 1291775186 /nfs/dbraw/zinc/77/51/86/1291775186.db2.gz RULQBKQJAUXHTJ-UHFFFAOYSA-N -1 1 348.424 3.139 20 10 EGCDMM COC(=O)NC1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000827934637 1292407022 /nfs/dbraw/zinc/40/70/22/1292407022.db2.gz MDRXLNMWKCEZDA-UHFFFAOYSA-N -1 1 333.215 3.019 20 10 EGCDMM O=C(N[C@H]1CC[C@H](c2cccc(F)c2)C1)c1c([O-])c(O)ccc1F ZINC000831010011 1292798877 /nfs/dbraw/zinc/79/88/77/1292798877.db2.gz NRGDGRZMTACFJM-AAEUAGOBSA-N -1 1 333.334 3.442 20 10 EGCDMM Cc1cc(C)c([N-]S(=O)(=O)c2cccc3nonc32)c(Cl)c1 ZINC000763510114 1301916090 /nfs/dbraw/zinc/91/60/90/1301916090.db2.gz YZFLJAIAOOGLQX-UHFFFAOYSA-N -1 1 337.788 3.294 20 10 EGCDMM COC[C@H](NCc1cc(Br)cc(F)c1[O-])c1ccco1 ZINC000883026950 1302211041 /nfs/dbraw/zinc/21/10/41/1302211041.db2.gz KPGWWIGKYFFILA-LBPRGKRZSA-N -1 1 344.180 3.364 20 10 EGCDMM Cc1ccc(C(=O)NC2CC2)cc1NCc1cc(F)cc(F)c1[O-] ZINC000883053741 1302222645 /nfs/dbraw/zinc/22/26/45/1302222645.db2.gz JXOITXBZUGKVKW-UHFFFAOYSA-N -1 1 332.350 3.483 20 10 EGCDMM O=C(CCCc1ccccn1)NCc1cccc(Br)c1[O-] ZINC000765730434 1302315162 /nfs/dbraw/zinc/31/51/62/1302315162.db2.gz VHPSMFGQOJFCJZ-UHFFFAOYSA-N -1 1 349.228 3.189 20 10 EGCDMM COc1csc(C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765736521 1302315258 /nfs/dbraw/zinc/31/52/58/1302315258.db2.gz NBLOZBBXWDRHJC-UHFFFAOYSA-N -1 1 342.214 3.155 20 10 EGCDMM [O-]c1c(F)cc(Cl)cc1CN1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000775137338 1303915223 /nfs/dbraw/zinc/91/52/23/1303915223.db2.gz KVXLQNRAQSWSPW-ISVAXAHUSA-N -1 1 341.732 3.320 20 10 EGCDMM CC(C)COc1cccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c1 ZINC000782369790 1304963076 /nfs/dbraw/zinc/96/30/76/1304963076.db2.gz PJWMOBHKCQZYES-UHFFFAOYSA-N -1 1 344.363 3.172 20 10 EGCDMM C[C@@H](SCc1ccccc1)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783024276 1305038044 /nfs/dbraw/zinc/03/80/44/1305038044.db2.gz LLBTVZFACHROSL-GFCCVEGCSA-N -1 1 346.404 3.146 20 10 EGCDMM O=C(COC(=O)c1ccc(-c2ccccc2)[nH]1)c1ccc([O-])c(O)c1 ZINC000783625315 1305119286 /nfs/dbraw/zinc/11/92/86/1305119286.db2.gz SVWDZXFAMXNUQL-UHFFFAOYSA-N -1 1 337.331 3.133 20 10 EGCDMM Cc1ccccc1C1(C(=O)OCC(=O)c2ccc([O-])c(O)c2)CCC1 ZINC000784896138 1305291281 /nfs/dbraw/zinc/29/12/81/1305291281.db2.gz PRJTWDNKBGCAPD-UHFFFAOYSA-N -1 1 340.375 3.254 20 10 EGCDMM [O-]c1c(Br)cc(Cl)cc1CN1CCC(CO)CC1 ZINC000893921220 1306131262 /nfs/dbraw/zinc/13/12/62/1306131262.db2.gz ILLLPWOXJIFWRG-UHFFFAOYSA-N -1 1 334.641 3.012 20 10 EGCDMM Cn1nc([C@H]2CCCOC2)cc1NCc1c([O-])ccc(Cl)c1F ZINC000790486519 1306336103 /nfs/dbraw/zinc/33/61/03/1306336103.db2.gz BNCZGXDRRDTICC-JTQLQIEISA-N -1 1 339.798 3.424 20 10 EGCDMM CS(=O)(=O)Cc1ccc(NCc2c([O-])ccc(Cl)c2F)cc1 ZINC000790964267 1308898047 /nfs/dbraw/zinc/89/80/47/1308898047.db2.gz XSYKTZPEXJCUTC-UHFFFAOYSA-N -1 1 343.807 3.341 20 10 EGCDMM C[C@H]1C[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])CC[C@@H]1O ZINC000894498291 1308923148 /nfs/dbraw/zinc/92/31/48/1308923148.db2.gz VXUCMIUPKRYBGR-UFBFGSQYSA-N -1 1 334.641 3.011 20 10 EGCDMM C[C@]1(c2ccccc2)CCCN(C(=O)c2c([O-])c(O)ccc2F)C1 ZINC000825827620 1320365040 /nfs/dbraw/zinc/36/50/40/1320365040.db2.gz WGYFSCKAFSZLQV-IBGZPJMESA-N -1 1 329.371 3.431 20 10 EGCDMM CC[C@@H](NCc1nnnn1-c1ccccc1)c1cccc(Cl)c1[O-] ZINC000806134722 1317464462 /nfs/dbraw/zinc/46/44/62/1317464462.db2.gz NLBCPWDOWFKDNA-OAHLLOKOSA-N -1 1 343.818 3.262 20 10 EGCDMM O=C(COC(=O)c1cc(F)c(F)cc1Cl)c1ccc([O-])c(O)c1 ZINC000916617489 1319686491 /nfs/dbraw/zinc/68/64/91/1319686491.db2.gz XDGRZEILOQTJPJ-UHFFFAOYSA-N -1 1 342.681 3.069 20 10 EGCDMM O=C(c1c([O-])c(O)ccc1F)N1CCC(c2ccccc2F)CC1 ZINC000825931709 1320372059 /nfs/dbraw/zinc/37/20/59/1320372059.db2.gz KFBOSUFWMVHEJA-UHFFFAOYSA-N -1 1 333.334 3.396 20 10 EGCDMM CS[C@H]1CC[N@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000840113398 1321031026 /nfs/dbraw/zinc/03/10/26/1321031026.db2.gz MCXXFBFCCOYHJF-AWEZNQCLSA-N -1 1 343.448 3.266 20 10 EGCDMM CS[C@H]1CC[N@@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000840113398 1321031028 /nfs/dbraw/zinc/03/10/28/1321031028.db2.gz MCXXFBFCCOYHJF-AWEZNQCLSA-N -1 1 343.448 3.266 20 10 EGCDMM CN(C)c1ccc(-c2nc(CC[N-]C(=O)C(F)(F)F)cs2)cc1 ZINC000864367365 1329610660 /nfs/dbraw/zinc/61/06/60/1329610660.db2.gz VDGHVNSVALGFEZ-UHFFFAOYSA-N -1 1 343.374 3.097 20 10 EGCDMM CCOC(=O)CC(C)(C)CC(=O)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000935944073 1330097680 /nfs/dbraw/zinc/09/76/80/1330097680.db2.gz MGOINBPJOVANRR-UHFFFAOYSA-N -1 1 340.803 3.096 20 10 EGCDMM O=S(=O)(Nc1c(F)cc([O-])cc1F)c1ccc2occc2c1 ZINC001198867778 1369134850 /nfs/dbraw/zinc/13/48/50/1369134850.db2.gz AJHHMTHIZLQJJM-UHFFFAOYSA-N -1 1 325.292 3.217 20 10 EGCDMM CCn1c(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc2ccccc21 ZINC001116816107 1370980257 /nfs/dbraw/zinc/98/02/57/1370980257.db2.gz PRHFNYORDSETIA-UHFFFAOYSA-N -1 1 339.347 3.112 20 10 EGCDMM O=C1CCCc2ccc(-c3noc(-c4cc(O)c([O-])c(O)c4)n3)cc21 ZINC001215328699 1373198642 /nfs/dbraw/zinc/19/86/42/1373198642.db2.gz NGSXUTFZEACXBM-UHFFFAOYSA-N -1 1 338.319 3.039 20 10 EGCDMM COc1ccc(OC)c(-c2noc(-c3ccc(O)c([O-])c3Cl)n2)c1 ZINC001216952346 1373370293 /nfs/dbraw/zinc/37/02/93/1373370293.db2.gz WPLQYEGOGVMBJX-UHFFFAOYSA-N -1 1 348.742 3.485 20 10 EGCDMM O=C1c2ccccc2C(=O)c2c1ccc([O-])c2OC1CCSCC1 ZINC001227581296 1375447162 /nfs/dbraw/zinc/44/71/62/1375447162.db2.gz ZDJBMKNNHIRTAO-UHFFFAOYSA-N -1 1 340.400 3.442 20 10 EGCDMM CCOC[C@@H]1Cn2nccc2C[N@@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC001231869603 1376331057 /nfs/dbraw/zinc/33/10/57/1376331057.db2.gz SASOWHLTEOGBQM-AWEZNQCLSA-N -1 1 349.862 3.219 20 10 EGCDMM CCOC[C@@H]1CN(Cc2cccc(Cl)c2[O-])Cc2cnn(CC)c21 ZINC001231909699 1376346323 /nfs/dbraw/zinc/34/63/23/1376346323.db2.gz FEGNYABSDVVHAG-HNNXBMFYSA-N -1 1 349.862 3.398 20 10 EGCDMM O=S(=O)(CCc1ccc(Cl)cc1)Nc1cc(F)c([O-])c(F)c1 ZINC001189103050 1388458857 /nfs/dbraw/zinc/45/88/57/1388458857.db2.gz CQOMZWJYNQIOGE-UHFFFAOYSA-N -1 1 347.770 3.308 20 10 EGCDMM C[C@H]1CN(Cc2ccc(Cl)cc2[O-])Cc2nnc(C(F)(F)F)n21 ZINC001140464254 1378067378 /nfs/dbraw/zinc/06/73/78/1378067378.db2.gz IPGPSAZJQQFYEB-QMMMGPOBSA-N -1 1 346.740 3.233 20 10 EGCDMM CC[C@@H](C)N1CC[C@@]2(CCCN2Cc2c([O-])cc(F)cc2F)C1=O ZINC001272617292 1378076608 /nfs/dbraw/zinc/07/66/08/1378076608.db2.gz WKWNVHJQZHYMBO-XIKOKIGWSA-N -1 1 338.398 3.036 20 10 EGCDMM CCN(CCNC(=O)OC(C)(C)C)Cc1c([O-])cc(F)cc1F ZINC001140584040 1378090391 /nfs/dbraw/zinc/09/03/91/1378090391.db2.gz DOXBUUGLLWFFGY-UHFFFAOYSA-N -1 1 330.375 3.017 20 10 EGCDMM Cc1ccnc(O[C@@H]2CCC[N@@H+](Cc3c([O-])cc(F)cc3F)C2)c1 ZINC001140585513 1378090605 /nfs/dbraw/zinc/09/06/05/1378090605.db2.gz LVMHJSLMMXMOCC-CQSZACIVSA-N -1 1 334.366 3.417 20 10 EGCDMM COc1ccc(N2CCN(Cc3cc(F)c([O-])cc3F)CC2)cc1 ZINC001144646831 1378754874 /nfs/dbraw/zinc/75/48/74/1378754874.db2.gz MHFLTMYFRWFVEB-UHFFFAOYSA-N -1 1 334.366 3.001 20 10 EGCDMM Cc1cccc2c(NCC(=O)c3ccc([O-])c(O)c3)nc(Cl)nc12 ZINC001159277285 1381749788 /nfs/dbraw/zinc/74/97/88/1381749788.db2.gz STUVCPMKDYRDIP-UHFFFAOYSA-N -1 1 343.770 3.298 20 10 EGCDMM Cc1cccc2nc(Cl)nc(NCC(=O)c3ccc([O-])c(O)c3)c12 ZINC001159278832 1381749801 /nfs/dbraw/zinc/74/98/01/1381749801.db2.gz DAFQFQAJZIXSIR-UHFFFAOYSA-N -1 1 343.770 3.298 20 10 EGCDMM O=C(CNc1ccc(C2=CCOCC2)cc1)c1ccc([O-])c(O)c1 ZINC001170315390 1384289400 /nfs/dbraw/zinc/28/94/00/1384289400.db2.gz WWRDXPYYXJUZGS-UHFFFAOYSA-N -1 1 325.364 3.196 20 10 EGCDMM O=C(CNc1ccc(O[C@H]2CCCCO2)cc1)c1ccc([O-])c(O)c1 ZINC001170321747 1384290776 /nfs/dbraw/zinc/29/07/76/1384290776.db2.gz FLDCDHGDMQRKCS-IBGZPJMESA-N -1 1 343.379 3.298 20 10 EGCDMM Nc1cccc(S(=O)(=O)[N-]c2cccc(N3CCCCC3)c2)c1 ZINC001174304382 1385095433 /nfs/dbraw/zinc/09/54/33/1385095433.db2.gz CCGAIFXXGNIKKX-UHFFFAOYSA-N -1 1 331.441 3.060 20 10 EGCDMM Cc1cc([N-]S(=O)(=O)c2c[nH]c(C(F)(F)F)c2)c(C)c(C)c1O ZINC001347396940 1391068702 /nfs/dbraw/zinc/06/87/02/1391068702.db2.gz URZNTKYDZYILPO-UHFFFAOYSA-N -1 1 348.346 3.465 20 10 EGCDMM CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)c1[O-] ZINC000849346392 979497799 /nfs/dbraw/zinc/49/77/99/979497799.db2.gz RJWUBUWYEKTWAF-YQQAZPJKSA-N -1 1 349.402 3.199 20 10 EGCDMM CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)c1[O-] ZINC000849346392 979497801 /nfs/dbraw/zinc/49/78/01/979497801.db2.gz RJWUBUWYEKTWAF-YQQAZPJKSA-N -1 1 349.402 3.199 20 10 EGCDMM CC[C@H](C)c1nnc([C@H](C)N[C@@H](C)c2cc(C(=O)[O-])ccc2O)[nH]1 ZINC001595015301 982960587 /nfs/dbraw/zinc/96/05/87/982960587.db2.gz HWCRWQAGBWDWIC-DCAQKATOSA-N -1 1 332.404 3.134 20 10 EGCDMM CCOCCC[N@H+](Cc1cc(Cl)c(F)cc1[O-])C[C@H](C)C(=O)[O-] ZINC001596914824 985934997 /nfs/dbraw/zinc/93/49/97/985934997.db2.gz LEKQKOIQIHDQFC-NSHDSACASA-N -1 1 347.814 3.134 20 10 EGCDMM CN(C)c1ccc(C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cc1 ZINC001598317897 991309358 /nfs/dbraw/zinc/30/93/58/991309358.db2.gz QVRGIERSOBTDAQ-UHFFFAOYSA-N -1 1 348.830 3.198 20 10 EGCDMM CN(C)c1ccc(C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cc1 ZINC001598317897 991309366 /nfs/dbraw/zinc/30/93/66/991309366.db2.gz QVRGIERSOBTDAQ-UHFFFAOYSA-N -1 1 348.830 3.198 20 10 EGCDMM C[C@H]([NH2+]Cc1cccc(OCC(=O)[O-])c1)c1cc(Cl)ccc1[O-] ZINC001593303149 994731892 /nfs/dbraw/zinc/73/18/92/994731892.db2.gz DAKSHASDVNKYIQ-NSHDSACASA-N -1 1 335.787 3.360 20 10 EGCDMM COc1c([O-])c(CN(CC(C)C)CC(F)(F)F)ccc1[N+](=O)[O-] ZINC000278265429 455801704 /nfs/dbraw/zinc/80/17/04/455801704.db2.gz QYZXXLSUSLENMB-UHFFFAOYSA-N -1 1 336.310 3.329 20 10 EGCDMM CC1(CCNC(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000280281408 455935906 /nfs/dbraw/zinc/93/59/06/455935906.db2.gz FYBQFUFWGHCULV-UHFFFAOYSA-N -1 1 327.222 3.144 20 10 EGCDMM CC(C)(C(=O)[O-])[C@H]1CCC[N@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000833419992 604863898 /nfs/dbraw/zinc/86/38/98/604863898.db2.gz MXKAJGZGUPJBOR-AWEZNQCLSA-N -1 1 328.412 3.263 20 10 EGCDMM CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000833419992 604863902 /nfs/dbraw/zinc/86/39/02/604863902.db2.gz MXKAJGZGUPJBOR-AWEZNQCLSA-N -1 1 328.412 3.263 20 10 EGCDMM C[C@@H]1CC[C@@H](C(=O)[O-])C[C@H]1[NH2+]Cc1c([O-])cccc1Br ZINC000871876924 1296585603 /nfs/dbraw/zinc/58/56/03/1296585603.db2.gz PZNTUIAJWFYAFE-GIPNMCIBSA-N -1 1 342.233 3.134 20 10 EGCDMM O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1cccc(-c2ccccn2)c1 ZINC000747691583 1298833687 /nfs/dbraw/zinc/83/36/87/1298833687.db2.gz CLOGLRVHTIBSNR-NBVRZTHBSA-N -1 1 341.370 3.210 20 10 EGCDMM C[C@@H](Nc1ccc(N2CCOCC2)cn1)c1cc(F)cc(F)c1[O-] ZINC000756801436 1300568372 /nfs/dbraw/zinc/56/83/72/1300568372.db2.gz LNNVZQCCXHJZAL-LLVKDONJSA-N -1 1 335.354 3.075 20 10 EGCDMM C[C@H](CNC(=O)NCc1cccc(Br)c1[O-])C1CC1 ZINC000764790244 1302136792 /nfs/dbraw/zinc/13/67/92/1302136792.db2.gz IRXJGIQEKRHDBA-SECBINFHSA-N -1 1 327.222 3.000 20 10 EGCDMM COCCOc1ccc(F)cc1NCc1cc(F)cc(F)c1[O-] ZINC000883058631 1302225503 /nfs/dbraw/zinc/22/55/03/1302225503.db2.gz WUGVKEJNZNETGE-UHFFFAOYSA-N -1 1 327.302 3.447 20 10 EGCDMM CC(C)c1cc(C(=O)NCc2cccc(Br)c2[O-])no1 ZINC000765751147 1302318006 /nfs/dbraw/zinc/31/80/06/1302318006.db2.gz PRKRIGBDZYRKAF-UHFFFAOYSA-N -1 1 339.189 3.196 20 10 EGCDMM O=C(NCc1ccc(N2CCCCC2)cc1)c1c([O-])cccc1F ZINC000772512365 1303541230 /nfs/dbraw/zinc/54/12/30/1303541230.db2.gz DYDMPKUHQDQUDF-UHFFFAOYSA-N -1 1 328.387 3.452 20 10 EGCDMM COc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)c2cccnc12 ZINC000776748047 1304192266 /nfs/dbraw/zinc/19/22/66/1304192266.db2.gz TWYZJLAFDFXGSN-UHFFFAOYSA-N -1 1 344.392 3.058 20 10 EGCDMM O=C(/C=C\Sc1ccccc1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000782152780 1304922554 /nfs/dbraw/zinc/92/25/54/1304922554.db2.gz RSOSXCUEKFIUMA-HJWRWDBZSA-N -1 1 330.361 3.130 20 10 EGCDMM Cc1ccccc1[C@H](C)CC(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783691434 1305129209 /nfs/dbraw/zinc/12/92/09/1305129209.db2.gz UTBSJBRPVPXWKL-CYBMUJFWSA-N -1 1 328.364 3.326 20 10 EGCDMM COc1ccc([C@@H](C)CC(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC000784031952 1305180863 /nfs/dbraw/zinc/18/08/63/1305180863.db2.gz BPOHBCQWJNZKJS-LBPRGKRZSA-N -1 1 344.363 3.026 20 10 EGCDMM CCCCCC(=O)NC1CC[NH+](Cc2cc(F)cc(F)c2O)CC1 ZINC000893987273 1306165204 /nfs/dbraw/zinc/16/52/04/1306165204.db2.gz QGHNXRLHPLTQNY-UHFFFAOYSA-N -1 1 340.414 3.331 20 10 EGCDMM O=C(c1c([O-])c(O)ccc1F)N1CCC(Cc2ccccc2)CC1 ZINC000789940354 1306234342 /nfs/dbraw/zinc/23/43/42/1306234342.db2.gz XHSDWRUDDJIGLY-UHFFFAOYSA-N -1 1 329.371 3.332 20 10 EGCDMM Cc1c(NCc2c([O-])ccc(Cl)c2F)cccc1-n1cnnn1 ZINC000790977710 1308901676 /nfs/dbraw/zinc/90/16/76/1308901676.db2.gz QEXMWZGIAXQJNP-UHFFFAOYSA-N -1 1 333.754 3.081 20 10 EGCDMM CC(=O)N[C@H]1Cc2ccccc2N(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792173374 1309136061 /nfs/dbraw/zinc/13/60/61/1309136061.db2.gz DUXCHGSVDLQPHH-ZDUSSCGKSA-N -1 1 348.805 3.252 20 10 EGCDMM CC(C)OC(=O)C1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000895827766 1309540589 /nfs/dbraw/zinc/54/05/89/1309540589.db2.gz GTGCPQWRDZTTPM-UHFFFAOYSA-N -1 1 329.799 3.348 20 10 EGCDMM C[C@@H]1CCC[C@@H]1CNC(=O)NCc1cccc(Br)c1[O-] ZINC000798511101 1310375578 /nfs/dbraw/zinc/37/55/78/1310375578.db2.gz FXXRUMCJUKLWGG-GHMZBOCLSA-N -1 1 341.249 3.390 20 10 EGCDMM CCOc1cccc(S(=O)(=O)[N-]c2cccc(N3CCCC3)c2)c1 ZINC000800034744 1310660361 /nfs/dbraw/zinc/66/03/61/1310660361.db2.gz BVLHTOUZKCOIEX-UHFFFAOYSA-N -1 1 346.452 3.486 20 10 EGCDMM Cc1cc(C)nc(C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000801253246 1310892706 /nfs/dbraw/zinc/89/27/06/1310892706.db2.gz SUBDQZFOTJQOMG-UHFFFAOYSA-N -1 1 335.201 3.097 20 10 EGCDMM CC(C)[C@@H]1C[C@H]1CNC(=O)NCc1cccc(Br)c1[O-] ZINC000836619841 1320513009 /nfs/dbraw/zinc/51/30/09/1320513009.db2.gz QOSHVUUXRJEXJC-RYUDHWBXSA-N -1 1 341.249 3.246 20 10 EGCDMM CC[C@H](Nc1ccc(OCC(N)=O)cc1)c1cccc(Cl)c1[O-] ZINC000806151185 1317465952 /nfs/dbraw/zinc/46/59/52/1317465952.db2.gz CZQXZNPVIYTUQP-HNNXBMFYSA-N -1 1 334.803 3.473 20 10 EGCDMM CC(=O)c1cc(F)cc(C[N@H+]2[C@H](C)C[C@H](C)[C@@H](C(=O)[O-])[C@H]2C)c1[O-] ZINC000903949955 1317755726 /nfs/dbraw/zinc/75/57/26/1317755726.db2.gz OOBJUQVHRVHUJZ-CVXDLRIPSA-N -1 1 337.391 3.054 20 10 EGCDMM CC(=O)c1cc(F)cc(C[N@@H+]2[C@H](C)C[C@H](C)[C@@H](C(=O)[O-])[C@H]2C)c1[O-] ZINC000903949955 1317755734 /nfs/dbraw/zinc/75/57/34/1317755734.db2.gz OOBJUQVHRVHUJZ-CVXDLRIPSA-N -1 1 337.391 3.054 20 10 EGCDMM CC(C)Oc1cc(NCc2cccc(Br)c2[O-])ncn1 ZINC000840292923 1321068087 /nfs/dbraw/zinc/06/80/87/1321068087.db2.gz AUMFUUWMSBTVBX-UHFFFAOYSA-N -1 1 338.205 3.344 20 10 EGCDMM O=C(NCc1cccc(Br)c1[O-])[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000935663663 1330069095 /nfs/dbraw/zinc/06/90/95/1330069095.db2.gz VPGPLTKSTHHOHD-JWSAXSAHSA-N -1 1 336.229 3.063 20 10 EGCDMM [O-]c1cc(Br)cc(F)c1CN1CCC[C@]12CCOC2 ZINC001233029336 1376557017 /nfs/dbraw/zinc/55/70/17/1376557017.db2.gz CAXGNPJWGQRRQS-CQSZACIVSA-N -1 1 330.197 3.049 20 10 EGCDMM O=C([N-]c1c2nonc2ccc1Cl)c1noc2c1CCCCC2 ZINC001324142182 1387547586 /nfs/dbraw/zinc/54/75/86/1387547586.db2.gz YGHSLLQGHVWZIJ-UHFFFAOYSA-N -1 1 332.747 3.385 20 10 EGCDMM CC1(C)C(=O)Nc2cc(NC(=O)c3ccc(O)c([O-])c3Cl)ccc21 ZINC001193230580 1367972140 /nfs/dbraw/zinc/97/21/40/1367972140.db2.gz WHIDLOTYHVJWHO-UHFFFAOYSA-N -1 1 346.770 3.233 20 10 EGCDMM O=C1c2ccccc2C(=O)c2cc(Nc3cncc(O)c3)c([O-])cc21 ZINC001201641149 1369595381 /nfs/dbraw/zinc/59/53/81/1369595381.db2.gz KSIGNJHJKUVJSE-UHFFFAOYSA-N -1 1 332.315 3.012 20 10 EGCDMM N[C@]1(C(F)(F)F)CCN(Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001206245675 1371003296 /nfs/dbraw/zinc/00/32/96/1371003296.db2.gz XMCVRVLSPBWHTO-LLVKDONJSA-N -1 1 329.149 3.165 20 10 EGCDMM CC(C)(C)c1cccc(C(=O)NCC(=O)c2ccc([O-])c(O)c2)c1 ZINC001188985299 1388427741 /nfs/dbraw/zinc/42/77/41/1388427741.db2.gz YEBFENVXDSAQPR-UHFFFAOYSA-N -1 1 327.380 3.008 20 10 EGCDMM O=C([O-])c1ccc(O)c(CN2CCn3cccc3[C@@H]2c2ccccc2)c1 ZINC001231559697 1376263403 /nfs/dbraw/zinc/26/34/03/1376263403.db2.gz ITKZQCFXKNZLQX-FQEVSTJZSA-N -1 1 348.402 3.497 20 10 EGCDMM [O-]c1ccc(F)c(F)c1CN1CC[C@H](N2CCCCC2)C(F)(F)C1 ZINC001233336318 1376618106 /nfs/dbraw/zinc/61/81/06/1376618106.db2.gz HQEIYEIIHQCQHS-HNNXBMFYSA-N -1 1 346.368 3.366 20 10 EGCDMM [O-]c1ccc(F)c(F)c1CN1Cc2cnn(-c3ccccc3)c2C1 ZINC001233335782 1376618929 /nfs/dbraw/zinc/61/89/29/1376618929.db2.gz LFSDZVBZZMGQJH-UHFFFAOYSA-N -1 1 327.334 3.372 20 10 EGCDMM C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N1Cc1c([O-])cccc1F ZINC001137833086 1377624453 /nfs/dbraw/zinc/62/44/53/1377624453.db2.gz RZQMPSHTMZJFKP-BETUJISGSA-N -1 1 338.423 3.361 20 10 EGCDMM CCOC(=O)CN(Cc1ccc(OC)cc1)Cc1cccc(F)c1[O-] ZINC001138127778 1377681055 /nfs/dbraw/zinc/68/10/55/1377681055.db2.gz PPWYSTSIJRYZEE-UHFFFAOYSA-N -1 1 347.386 3.105 20 10 EGCDMM Cc1ccnc(OC2CCN(Cc3c([O-])cc(F)cc3F)CC2)c1 ZINC001140585339 1378090256 /nfs/dbraw/zinc/09/02/56/1378090256.db2.gz FXLXYEKTWCMUQJ-UHFFFAOYSA-N -1 1 334.366 3.417 20 10 EGCDMM [O-]c1cc(F)c(F)cc1CN1CC[C@@H](N2CCCCC2)C(F)(F)C1 ZINC001142534749 1378455649 /nfs/dbraw/zinc/45/56/49/1378455649.db2.gz VFTGAMBFDDSLLU-MRXNPFEDSA-N -1 1 346.368 3.366 20 10 EGCDMM COc1ccc2nc(NCC(=O)c3ccc([O-])c(O)c3)c(C)cc2c1 ZINC001159271960 1381748978 /nfs/dbraw/zinc/74/89/78/1381748978.db2.gz HMCOFSKVVZOOGG-UHFFFAOYSA-N -1 1 338.363 3.258 20 10 EGCDMM O=C(CNc1c(Cl)nnc(Cl)c1Cl)c1ccc([O-])c(O)c1 ZINC001170316160 1384289232 /nfs/dbraw/zinc/28/92/32/1384289232.db2.gz NDSJCGXAQRJBEX-UHFFFAOYSA-N -1 1 348.573 3.143 20 10 EGCDMM Cc1cc(-c2ccccc2)nc(NCC(=O)c2ccc([O-])c(O)c2)n1 ZINC001170316265 1384289377 /nfs/dbraw/zinc/28/93/77/1384289377.db2.gz FDMVJAMJXDBCQR-UHFFFAOYSA-N -1 1 335.363 3.158 20 10 EGCDMM O=C(CNc1cc(Cl)ccc1C=C[N+](=O)[O-])c1ccc([O-])c(O)c1 ZINC001170321623 1384290917 /nfs/dbraw/zinc/29/09/17/1384290917.db2.gz ACWXKCFFLXOQGB-AATRIKPKSA-N -1 1 348.742 3.293 20 10 EGCDMM O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc(C(F)(F)F)c1[O-] ZINC001179687364 1386553781 /nfs/dbraw/zinc/55/37/81/1386553781.db2.gz JUHFIHXPISMUJI-FNORWQNLSA-N -1 1 339.269 3.474 20 10 EGCDMM COc1ccc(N(C)Cc2cc(-c3nnn[n-]3)ccc2F)cc1Cl ZINC000821827558 1428971601 /nfs/dbraw/zinc/97/16/01/1428971601.db2.gz FLGHTTROWLDCED-UHFFFAOYSA-N -1 1 347.781 3.304 20 10 EGCDMM CCCN(Cc1ccccc1O)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821109298 1426559754 /nfs/dbraw/zinc/55/97/54/1426559754.db2.gz GMHZBRLSVGKPBG-UHFFFAOYSA-N -1 1 344.806 3.037 20 10 EGCDMM CCC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1[O-] ZINC000825318281 1442120716 /nfs/dbraw/zinc/12/07/16/1442120716.db2.gz KUZMZPIFKAKRHG-UHFFFAOYSA-N -1 1 341.390 3.124 20 10 EGCDMM C[C@H]1[C@@H](C(=O)[O-])CC[N@H+]1Cc1cc(Cl)cc(Br)c1[O-] ZINC000708069925 977413720 /nfs/dbraw/zinc/41/37/20/977413720.db2.gz DMXBFPIMKIHVOK-XVKPBYJWSA-N -1 1 348.624 3.103 20 10 EGCDMM O=C([O-])[C@H](NCc1ccc2c(c1)CCCO2)c1cc(F)ccc1F ZINC000900028441 980237048 /nfs/dbraw/zinc/23/70/48/980237048.db2.gz HBYCWDZHHJBQNU-QGZVFWFLSA-N -1 1 333.334 3.205 20 10 EGCDMM C[C@@H](NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC001593288341 994653274 /nfs/dbraw/zinc/65/32/74/994653274.db2.gz GZLATOYBCBQFNY-GFCCVEGCSA-N -1 1 343.383 3.210 20 10 EGCDMM CC1(C)CCC[C@H](C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])O1 ZINC001593887038 996724844 /nfs/dbraw/zinc/72/48/44/996724844.db2.gz WHXVYURZLNVIHI-CQSZACIVSA-N -1 1 341.835 3.280 20 10 EGCDMM CC1(C)CCC[C@H](C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])O1 ZINC001593887038 996724847 /nfs/dbraw/zinc/72/48/47/996724847.db2.gz WHXVYURZLNVIHI-CQSZACIVSA-N -1 1 341.835 3.280 20 10 EGCDMM C[C@]1([NH2+]Cc2ccc(Br)cc2[O-])CCCC[C@@H]1C(=O)[O-] ZINC001594059925 997825727 /nfs/dbraw/zinc/82/57/27/997825727.db2.gz GTUTZNCXFRRSOZ-DOMZBBRYSA-N -1 1 342.233 3.278 20 10 EGCDMM CC[C@@H](CSC)NC(=O)NCc1cccc(Br)c1[O-] ZINC000277604808 455611849 /nfs/dbraw/zinc/61/18/49/455611849.db2.gz VLHMMNFJXJEJRP-JTQLQIEISA-N -1 1 347.278 3.096 20 10 EGCDMM CC(C)(C)n1ncnc1CNCc1cc(Cl)cc(Cl)c1[O-] ZINC000282800598 456630863 /nfs/dbraw/zinc/63/08/63/456630863.db2.gz XCJPTRDPIUABQB-UHFFFAOYSA-N -1 1 329.231 3.335 20 10 EGCDMM C[C@@H]1CCC[C@@H]1NC(=O)NCc1cccc(Br)c1[O-] ZINC000277428245 456821389 /nfs/dbraw/zinc/82/13/89/456821389.db2.gz LRJKAQBAHNNSOO-SKDRFNHKSA-N -1 1 327.222 3.143 20 10 EGCDMM COc1c([O-])c(C[N@H+]2C[C@H](C)C[C@H]2c2cccnc2)ccc1[N+](=O)[O-] ZINC000364755943 457686897 /nfs/dbraw/zinc/68/68/97/457686897.db2.gz CUAQKAKWORQERM-WBMJQRKESA-N -1 1 343.383 3.287 20 10 EGCDMM COC(=O)C[N@H+](CCc1cccs1)Cc1cc(Cl)ccc1O ZINC000731844813 575211943 /nfs/dbraw/zinc/21/19/43/575211943.db2.gz JNJOITHWIURDMT-UHFFFAOYSA-N -1 1 339.844 3.325 20 10 EGCDMM CCOC(=O)C1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1 ZINC000177226932 1294660600 /nfs/dbraw/zinc/66/06/00/1294660600.db2.gz ZJNFXSLMOAOOAA-UHFFFAOYSA-N -1 1 339.819 3.023 20 10 EGCDMM COCCN(Cc1cc(Cl)cc(C(C)=O)c1[O-])CC(F)(F)F ZINC000177284129 1294664321 /nfs/dbraw/zinc/66/43/21/1294664321.db2.gz JIJVYZGOJWUANQ-UHFFFAOYSA-N -1 1 339.741 3.259 20 10 EGCDMM CSCC[C@H](C)NC(=O)NCc1cccc(Br)c1[O-] ZINC000764782654 1302135344 /nfs/dbraw/zinc/13/53/44/1302135344.db2.gz GUVSDNFIYKBKKF-VIFPVBQESA-N -1 1 347.278 3.096 20 10 EGCDMM Cc1cscc1C(=O)NCc1cccc(Br)c1[O-] ZINC000765736608 1302315078 /nfs/dbraw/zinc/31/50/78/1302315078.db2.gz PNKMHXZOJQBBDZ-UHFFFAOYSA-N -1 1 326.215 3.455 20 10 EGCDMM CCc1ncc(C(=O)NCc2cccc(Br)c2[O-])s1 ZINC000765770891 1302321443 /nfs/dbraw/zinc/32/14/43/1302321443.db2.gz RWBKKNBXWSIMSD-UHFFFAOYSA-N -1 1 341.230 3.104 20 10 EGCDMM O=C(c1ccc([O-])c(F)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000768325922 1302880474 /nfs/dbraw/zinc/88/04/74/1302880474.db2.gz WMLDXUYXBFUMIE-OAHLLOKOSA-N -1 1 345.370 3.058 20 10 EGCDMM COC(=O)[C@H]1C[C@H](C)CCN1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000775808432 1304043576 /nfs/dbraw/zinc/04/35/76/1304043576.db2.gz ZZZHHTKFTQFNFU-MEBBXXQBSA-N -1 1 339.819 3.022 20 10 EGCDMM COC(=O)[C@@H]1CCCCCN1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000781343592 1304815192 /nfs/dbraw/zinc/81/51/92/1304815192.db2.gz COKCOHDHUJBYCF-HNNXBMFYSA-N -1 1 339.819 3.166 20 10 EGCDMM Cc1cc([N-]S(=O)(=O)c2ccccc2-c2ccno2)ccc1O ZINC000782259436 1304942577 /nfs/dbraw/zinc/94/25/77/1304942577.db2.gz RLNUDYVKYIGAAY-UHFFFAOYSA-N -1 1 330.365 3.156 20 10 EGCDMM O=C(COC(=O)c1csc2ccccc12)c1ccc([O-])c(O)c1 ZINC000782629968 1304995889 /nfs/dbraw/zinc/99/58/89/1304995889.db2.gz WLVVBFJMQQEVQV-UHFFFAOYSA-N -1 1 328.345 3.352 20 10 EGCDMM Cc1ccc2oc(C(=O)OCC(=O)c3ccc([O-])c(O)c3)cc2c1 ZINC000783108116 1305049395 /nfs/dbraw/zinc/04/93/95/1305049395.db2.gz AGUXSZZEEQUWFM-UHFFFAOYSA-N -1 1 326.304 3.192 20 10 EGCDMM CC(C)(C)c1ccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)s1 ZINC000784168730 1305201389 /nfs/dbraw/zinc/20/13/89/1305201389.db2.gz ZPSHKBYRHOEAON-UHFFFAOYSA-N -1 1 334.393 3.497 20 10 EGCDMM COc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2SC)cc1C ZINC000792703320 1309211846 /nfs/dbraw/zinc/21/18/46/1309211846.db2.gz UCFXEFADDQTOLG-UHFFFAOYSA-N -1 1 339.438 3.232 20 10 EGCDMM CC(=O)c1cc(Cl)cc(CN2CCOc3cc(O)ccc3C2)c1[O-] ZINC000796466157 1310007764 /nfs/dbraw/zinc/00/77/64/1310007764.db2.gz MWZNFWSTVQRUHE-UHFFFAOYSA-N -1 1 347.798 3.348 20 10 EGCDMM CN1C(=O)COc2cc(NCc3cc(Cl)cc(F)c3[O-])ccc21 ZINC000798962342 1310465683 /nfs/dbraw/zinc/46/56/83/1310465683.db2.gz PNUNWPPMCLIVMR-UHFFFAOYSA-N -1 1 336.750 3.152 20 10 EGCDMM CC[C@@H](Nc1ccc(N(C)CCO)cn1)c1cccc(Cl)c1[O-] ZINC000806154997 1317467401 /nfs/dbraw/zinc/46/74/01/1317467401.db2.gz LFPOIFMHHOKFLT-OAHLLOKOSA-N -1 1 335.835 3.432 20 10 EGCDMM CN(C)C(=O)OC[C@H]1CCCCN1Cc1cc(Cl)cc(F)c1[O-] ZINC000809708920 1317871852 /nfs/dbraw/zinc/87/18/52/1317871852.db2.gz KUFHXHHPMXJTFC-CYBMUJFWSA-N -1 1 344.814 3.237 20 10 EGCDMM CC[N@@H+](Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-])C[C@H](C)OC ZINC000812303164 1318361709 /nfs/dbraw/zinc/36/17/09/1318361709.db2.gz MMKSIXQAANTRFF-AWEZNQCLSA-N -1 1 343.423 3.186 20 10 EGCDMM CC[N@H+](Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-])C[C@H](C)OC ZINC000812303164 1318361713 /nfs/dbraw/zinc/36/17/13/1318361713.db2.gz MMKSIXQAANTRFF-AWEZNQCLSA-N -1 1 343.423 3.186 20 10 EGCDMM CCOc1c(Cl)cc(C=C2SC(=S)[N-]C2=O)cc1OC ZINC000915840898 1319546886 /nfs/dbraw/zinc/54/68/86/1319546886.db2.gz UZFMUUGKFMEXFI-UXBLZVDNSA-N -1 1 329.830 3.236 20 10 EGCDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H]1CCCC[C@H]1F ZINC000840443205 1321093361 /nfs/dbraw/zinc/09/33/61/1321093361.db2.gz SPHYXJVXUZFOLZ-VXGBXAGGSA-N -1 1 345.212 3.235 20 10 EGCDMM CC(C)CN1C(=O)C(=CNc2cccc(C(C)C)c2)C(=O)[N-]C1=S ZINC000920979291 1322240210 /nfs/dbraw/zinc/24/02/10/1322240210.db2.gz GCSIQMOYSYJQEY-OQLLNIDSSA-N -1 1 345.468 3.005 20 10 EGCDMM CC(C)=CC[C@@H]([NH2+]Cc1c([O-])cccc1Br)C(=O)[O-] ZINC000864529318 1329623125 /nfs/dbraw/zinc/62/31/25/1329623125.db2.gz HDZFQYNJMRDZSV-GFCCVEGCSA-N -1 1 328.206 3.054 20 10 EGCDMM Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(-c2cnco2)cc1 ZINC001185221048 1387655335 /nfs/dbraw/zinc/65/53/35/1387655335.db2.gz GCGNRYAHQYUZSY-UHFFFAOYSA-N -1 1 330.365 3.156 20 10 EGCDMM Cc1cc(S(=O)(=O)Nc2ccc([O-])c(F)c2F)ccc1Cl ZINC001185521520 1387737426 /nfs/dbraw/zinc/73/74/26/1387737426.db2.gz UXXNPCXKFNJYRI-UHFFFAOYSA-N -1 1 333.743 3.433 20 10 EGCDMM CC(C)(C)c1ccccc1NC(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001189606644 1367065936 /nfs/dbraw/zinc/06/59/36/1367065936.db2.gz UWZJLBKUOVUVFF-UHFFFAOYSA-N -1 1 342.395 3.400 20 10 EGCDMM O=C(Nc1ccc(Br)nc1)c1ccc(O)c([O-])c1Cl ZINC001193210009 1367967374 /nfs/dbraw/zinc/96/73/74/1367967374.db2.gz SPNBSTZUSGVQJL-UHFFFAOYSA-N -1 1 343.564 3.161 20 10 EGCDMM O=C(Nc1cc2ccccc2oc1=O)c1ccc(O)c([O-])c1Cl ZINC001193209577 1367967637 /nfs/dbraw/zinc/96/76/37/1367967637.db2.gz MKXWZWYGSMDZFD-UHFFFAOYSA-N -1 1 331.711 3.110 20 10 EGCDMM O=C(Nc1csc(Br)n1)c1ccc(O)c([O-])c1Cl ZINC001193220090 1367969978 /nfs/dbraw/zinc/96/99/78/1367969978.db2.gz QJQJUKLITLXLJG-UHFFFAOYSA-N -1 1 349.593 3.223 20 10 EGCDMM O=C(NCCCOc1cccc(F)c1)c1ccc(O)c([O-])c1Cl ZINC001193247393 1367980044 /nfs/dbraw/zinc/98/00/44/1367980044.db2.gz XEDNUWBSJQIPEF-UHFFFAOYSA-N -1 1 339.750 3.089 20 10 EGCDMM C=CS(=O)(=O)[N-]c1cccc2c1C(=O)c1cccc(Cl)c1C2=O ZINC001198610915 1369073129 /nfs/dbraw/zinc/07/31/29/1369073129.db2.gz QYRPZOAOXKXZBJ-UHFFFAOYSA-N -1 1 347.779 3.001 20 10 EGCDMM CC(=O)c1cc([N-]S(=O)(=O)c2ccc3occc3c2)ccc1O ZINC001198858980 1369132539 /nfs/dbraw/zinc/13/25/39/1369132539.db2.gz OTNMBIUTLUJDQE-UHFFFAOYSA-N -1 1 331.349 3.142 20 10 EGCDMM CC(C)c1ccc(NC(=O)NCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC001202930763 1369929267 /nfs/dbraw/zinc/92/92/67/1369929267.db2.gz YWAZKEWHTBPABM-UHFFFAOYSA-N -1 1 328.368 3.226 20 10 EGCDMM CN(C)c1ccc(CN(C)Cc2nc(=O)c3sccc3[n-]2)cc1F ZINC001116613305 1370946264 /nfs/dbraw/zinc/94/62/64/1370946264.db2.gz AEWGNMSSJMSJPN-UHFFFAOYSA-N -1 1 346.431 3.234 20 10 EGCDMM O=C(NCc1cccc(Br)c1[O-])c1ncc(Cl)s1 ZINC001116860827 1370988598 /nfs/dbraw/zinc/98/85/98/1370988598.db2.gz KQPOUBLVKRJGBN-UHFFFAOYSA-N -1 1 347.621 3.195 20 10 EGCDMM CCOC(=O)CN(Cc1ccsc1)Cc1c([O-])ccc(F)c1F ZINC001233336015 1376619266 /nfs/dbraw/zinc/61/92/66/1376619266.db2.gz VIMIXPWNWRUNCO-UHFFFAOYSA-N -1 1 341.379 3.297 20 10 EGCDMM COc1ccc(N2CCN(Cc3ccc([O-])c(F)c3F)CC2)c(C)c1 ZINC001140892700 1378172894 /nfs/dbraw/zinc/17/28/94/1378172894.db2.gz XIANJFHERHJVPJ-UHFFFAOYSA-N -1 1 348.393 3.310 20 10 EGCDMM CN(Cc1ccncn1)Cc1cc(Cl)cc(Br)c1[O-] ZINC001141377421 1378314446 /nfs/dbraw/zinc/31/44/46/1378314446.db2.gz NILAZXBVMKVCEC-UHFFFAOYSA-N -1 1 342.624 3.230 20 10 EGCDMM O=C(CNc1c(F)ccc2c(Cl)ncnc21)c1ccc([O-])c(O)c1 ZINC001159280491 1381749578 /nfs/dbraw/zinc/74/95/78/1381749578.db2.gz TZQVXGXBSKHEOS-UHFFFAOYSA-N -1 1 347.733 3.128 20 10 EGCDMM Cc1nc(C(C)(C)C)nc(NCC(=O)c2ccc([O-])c(O)c2)c1C ZINC001170315843 1384289108 /nfs/dbraw/zinc/28/91/08/1384289108.db2.gz HSFIFDBSSIFLPF-UHFFFAOYSA-N -1 1 329.400 3.097 20 10 EGCDMM CC1CCN(c2ccc(CNc3ccc(-c4nnn[n-]4)nc3)cc2)CC1 ZINC000820727914 1425272335 /nfs/dbraw/zinc/27/23/35/1425272335.db2.gz QSDICRMMWIPGQU-UHFFFAOYSA-N -1 1 349.442 3.110 20 10 EGCDMM O=C([O-])[C@@H]1C[N@@H+](Cc2c([O-])ccc(Cl)c2F)C[C@H]1c1ccccc1 ZINC001602189141 971170877 /nfs/dbraw/zinc/17/08/77/971170877.db2.gz OZUIASVLXKFZSC-QWHCGFSZSA-N -1 1 349.789 3.485 20 10 EGCDMM O=C([O-])CC[C@H]1CCCC[N@@H+]1Cc1ccc(Br)cc1[O-] ZINC000691422856 954684149 /nfs/dbraw/zinc/68/41/49/954684149.db2.gz KCDVHEWQMPNPSE-CYBMUJFWSA-N -1 1 342.233 3.374 20 10 EGCDMM O=C([O-])CC[C@H]1CCCC[N@H+]1Cc1ccc(Br)cc1[O-] ZINC000691422856 954684153 /nfs/dbraw/zinc/68/41/53/954684153.db2.gz KCDVHEWQMPNPSE-CYBMUJFWSA-N -1 1 342.233 3.374 20 10 EGCDMM O=C([O-])CC[C@@H]1CCC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000706658224 954954736 /nfs/dbraw/zinc/95/47/36/954954736.db2.gz SIVIWLDYKCUPJT-NSHDSACASA-N -1 1 342.233 3.232 20 10 EGCDMM O=C([O-])CC[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000706658224 954954741 /nfs/dbraw/zinc/95/47/41/954954741.db2.gz SIVIWLDYKCUPJT-NSHDSACASA-N -1 1 342.233 3.232 20 10 EGCDMM O=C([O-])[C@@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2[O-])Cc2ccccc21 ZINC001594951998 954965404 /nfs/dbraw/zinc/96/54/04/954965404.db2.gz ZKSPHYFTXRZSOC-CQSZACIVSA-N -1 1 335.762 3.369 20 10 EGCDMM Cc1cc(Br)c([O-])c(C[N@@H+]2CCC[C@@H](C)[C@H]2C(=O)[O-])c1 ZINC000818631703 955421905 /nfs/dbraw/zinc/42/19/05/955421905.db2.gz NJFWMYPBDQHDJD-MFKMUULPSA-N -1 1 342.233 3.148 20 10 EGCDMM