smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(CCO)ccc1NCc1cc(Cl)c(F)cc1[O-] ZINC000294733061 455824620 /nfs/dbraw/zinc/82/46/20/455824620.db2.gz QDNCSZNDNNQVPA-UHFFFAOYSA-N -1 1 325.767 3.340 10 10 EGCEMM Cc1cc(Cl)cc(C[N@H+](C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)c1O ZINC000180434164 455168752 /nfs/dbraw/zinc/16/87/52/455168752.db2.gz RSMBGRDXLQDGFG-CABCVRRESA-N -1 1 345.892 3.142 10 10 EGCEMM CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](Cc3ccncc3)C2)c1[O-] ZINC000375154284 457814060 /nfs/dbraw/zinc/81/40/60/457814060.db2.gz SNDIBJDFEXAYOY-HNNXBMFYSA-N -1 1 328.387 3.194 10 10 EGCEMM C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1cnncc1[O-] ZINC001137816644 1377621462 /nfs/dbraw/zinc/62/14/62/1377621462.db2.gz NCCVBMLWBBGFFB-AWEZNQCLSA-N -1 1 349.390 3.291 10 10 EGCEMM CCCCN(Cc1ccccc1O)C(=O)c1cnc(SC)[n-]c1=O ZINC001139123775 1377833787 /nfs/dbraw/zinc/83/37/87/1377833787.db2.gz JLNZDEYDASVWPH-UHFFFAOYSA-N -1 1 347.440 3.052 10 10 EGCEMM CC(=O)c1cc(Cl)cc(CN2CCC[C@@H]2c2cnn(C)c2)c1[O-] ZINC000177118079 454825301 /nfs/dbraw/zinc/82/53/01/454825301.db2.gz KGXLZTHCOIGUKY-MRXNPFEDSA-N -1 1 333.819 3.319 10 10 EGCEMM CO[C@H]1c2ccccc2C[C@H]1NC(=O)NCc1cccc(Cl)c1[O-] ZINC000895343214 1309290669 /nfs/dbraw/zinc/29/06/69/1309290669.db2.gz JDZPADOLORNBFU-WBVHZDCISA-N -1 1 346.814 3.157 10 10 EGCEMM CC1(c2nccc(NC(=O)NCc3cccc(Cl)c3[O-])n2)CC1 ZINC000931089911 1329046934 /nfs/dbraw/zinc/04/69/34/1329046934.db2.gz APKKPEYYNQYBHZ-UHFFFAOYSA-N -1 1 332.791 3.209 10 10 EGCEMM COc1ccc(SCC(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC001159034567 1381529361 /nfs/dbraw/zinc/52/93/61/1381529361.db2.gz XNDNTROWADFICY-UHFFFAOYSA-N -1 1 337.828 3.463 10 10 EGCEMM O=C(N[C@H]1C[C@H](Sc2ccccc2)C1)c1c(F)ccc(O)c1[O-] ZINC001161706321 1382485805 /nfs/dbraw/zinc/48/58/05/1382485805.db2.gz MDIXPLFQTSESOU-UMSPYCQHSA-N -1 1 333.384 3.290 10 10 EGCEMM CCCOc1ccnc(NCc2cccc(Br)c2[O-])n1 ZINC001307108447 1383941672 /nfs/dbraw/zinc/94/16/72/1383941672.db2.gz HSEBHQHPMPJHMG-UHFFFAOYSA-N -1 1 338.205 3.346 10 10 EGCEMM CC(=O)c1cc(Cl)cc(CN(C)CC(=O)Nc2ccccc2)c1[O-] ZINC000072312053 454292438 /nfs/dbraw/zinc/29/24/38/454292438.db2.gz YRGGXXLXHJFZRL-UHFFFAOYSA-N -1 1 346.814 3.319 10 10 EGCEMM CSc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(F)cc1C ZINC000192155421 1295737529 /nfs/dbraw/zinc/73/75/29/1295737529.db2.gz VIYFQWVEBZHCGQ-UHFFFAOYSA-N -1 1 327.402 3.362 10 10 EGCEMM [O-]c1c(F)cc(Br)cc1CN1CCC[C@@]12CCOC2 ZINC000715738569 1298285276 /nfs/dbraw/zinc/28/52/76/1298285276.db2.gz VPMHCDVPELDHIQ-AWEZNQCLSA-N -1 1 330.197 3.049 10 10 EGCEMM CC(=O)c1cc(Cl)cc(CN2CCC[C@H]2c2ccnn2C)c1[O-] ZINC000932267897 1329801898 /nfs/dbraw/zinc/80/18/98/1329801898.db2.gz HGFUIVJFUMNCLP-INIZCTEOSA-N -1 1 333.819 3.319 10 10 EGCEMM CN(C)c1ncc(C(=O)NCc2cccc(Cl)c2[O-])cc1Cl ZINC001180419621 1386791232 /nfs/dbraw/zinc/79/12/32/1386791232.db2.gz BJMRJRBRAVOCQN-UHFFFAOYSA-N -1 1 340.210 3.090 10 10 EGCEMM CCCO[C@H]1CCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000715818178 1298287883 /nfs/dbraw/zinc/28/78/83/1298287883.db2.gz MTHOGWFMFCWMIF-LBPRGKRZSA-N -1 1 332.213 3.295 10 10 EGCEMM O=C(NCc1cccc(Cl)c1[O-])NC[C@@H]1CCC2(CCCC2)O1 ZINC000895620057 1309432029 /nfs/dbraw/zinc/43/20/29/1309432029.db2.gz PWDNPDBWEGSWII-ZDUSSCGKSA-N -1 1 338.835 3.337 10 10 EGCEMM O=C(NCc1cccc(Br)c1[O-])N[C@H]1CCCC12CC2 ZINC000868846537 1330359663 /nfs/dbraw/zinc/35/96/63/1330359663.db2.gz MTFHJTXNLAZHLW-LBPRGKRZSA-N -1 1 339.233 3.287 10 10 EGCEMM O=C(NCc1cccc(Cl)c1[O-])[C@H](c1ccccc1)n1cccn1 ZINC001159033622 1381527826 /nfs/dbraw/zinc/52/78/26/1381527826.db2.gz KWCSJYCKASFTLU-INIZCTEOSA-N -1 1 341.798 3.148 10 10 EGCEMM C[C@@H](NC(=O)NCc1cccc(Br)c1[O-])C1(C)CC1 ZINC001351603176 1391655860 /nfs/dbraw/zinc/65/58/60/1391655860.db2.gz YTCJAKRYSHHIQN-SECBINFHSA-N -1 1 327.222 3.143 10 10 EGCEMM O=C(NCc1cccc(Cl)c1[O-])NC[C@H]1CCC2(CCCC2)O1 ZINC000895620056 1309431864 /nfs/dbraw/zinc/43/18/64/1309431864.db2.gz PWDNPDBWEGSWII-CYBMUJFWSA-N -1 1 338.835 3.337 10 10 EGCEMM CN(CCOc1ccccc1Cl)C(=O)c1c([O-])c(O)ccc1F ZINC001306181790 1383883541 /nfs/dbraw/zinc/88/35/41/1383883541.db2.gz RBYPVODVNXTQGX-UHFFFAOYSA-N -1 1 339.750 3.041 10 10 EGCEMM CCc1cc(NCc2cccc(Cl)c2[O-])nc(-c2ccncc2)n1 ZINC001307230544 1383961976 /nfs/dbraw/zinc/96/19/76/1383961976.db2.gz WMAWZQOGKGWCPN-UHFFFAOYSA-N -1 1 340.814 3.494 10 10 EGCEMM CSCc1cc(F)ccc1CNC(=O)c1c(F)ccc(O)c1[O-] ZINC001182919359 1387246669 /nfs/dbraw/zinc/24/66/69/1387246669.db2.gz BLVTUHWVNMSTLG-UHFFFAOYSA-N -1 1 339.363 3.169 10 10 EGCEMM O=C1[N-]C(=S)S/C1=C\C(Cl)=C/c1ccc([N+](=O)[O-])cc1 ZINC000005633050 452889069 /nfs/dbraw/zinc/88/90/69/452889069.db2.gz BDSAFOVDXBFDHY-QYEKGNEQSA-N -1 1 326.786 3.206 10 10 EGCEMM O=[N+]([O-])c1cc(Cl)cc(CN2CC[C@H](Oc3cccnc3)C2)c1[O-] ZINC000093690936 454730773 /nfs/dbraw/zinc/73/07/73/454730773.db2.gz WYEVRMVYVBUBML-AWEZNQCLSA-N -1 1 349.774 3.002 10 10 EGCEMM COc1cccc([C@@H]2C[C@H]2NC(=O)NCc2cccc(Cl)c2[O-])c1 ZINC000895233031 1309250124 /nfs/dbraw/zinc/25/01/24/1309250124.db2.gz DDEBNUFYMGJURC-GOEBONIOSA-N -1 1 346.814 3.410 10 10 EGCEMM O=C(NCC(F)(F)c1ccc(F)cc1F)c1c([O-])c(O)ccc1F ZINC001184226325 1387416732 /nfs/dbraw/zinc/41/67/32/1387416732.db2.gz RBTVPDLDICIPFX-UHFFFAOYSA-N -1 1 347.239 3.037 10 10 EGCEMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(N3CCCC3)c2)c1 ZINC000055289975 453975024 /nfs/dbraw/zinc/97/50/24/453975024.db2.gz DXFGXORVEQPFOC-UHFFFAOYSA-N -1 1 339.395 3.203 10 10 EGCEMM Cc1nc(C2CC2)[nH]c(=S)c1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890760717 1304872539 /nfs/dbraw/zinc/87/25/39/1304872539.db2.gz XNVUBXYERQHXAG-UHFFFAOYSA-N -1 1 349.843 3.240 10 10 EGCEMM CC(C)[C@@H](C)NC(=O)C1CC[NH+](Cc2cc(F)cc(F)c2O)CC1 ZINC000893987283 1306165441 /nfs/dbraw/zinc/16/54/41/1306165441.db2.gz QJUHHSBNZPOKTP-GFCCVEGCSA-N -1 1 340.414 3.043 10 10 EGCEMM O=C(c1c([O-])c(O)ccc1F)N1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000863941397 1329590095 /nfs/dbraw/zinc/59/00/95/1329590095.db2.gz ZIYHBXTZGAFGQS-MELADBBJSA-N -1 1 327.355 3.113 10 10 EGCEMM CC(=O)c1cccc(CNC(=O)NCc2cccc(Cl)c2[O-])c1 ZINC001230561698 1376079611 /nfs/dbraw/zinc/07/96/11/1376079611.db2.gz APVDFXLKCLGQTB-UHFFFAOYSA-N -1 1 332.787 3.248 10 10 EGCEMM COC(=O)c1cc(C)cc(C(=O)NCc2cccc(Cl)c2[O-])c1 ZINC001159041714 1381537180 /nfs/dbraw/zinc/53/71/80/1381537180.db2.gz ZELTVDMPCDJJLU-UHFFFAOYSA-N -1 1 333.771 3.071 10 10 EGCEMM O=C(NCc1ccc(N2CCCCC2)cc1)c1cc(F)ccc1[O-] ZINC001299788517 1383628613 /nfs/dbraw/zinc/62/86/13/1383628613.db2.gz SCXMYIGWUPDVOW-UHFFFAOYSA-N -1 1 328.387 3.452 10 10 EGCEMM CCCOc1ccc(CNC(=O)c2c(F)ccc(O)c2[O-])c(C)c1 ZINC001183176524 1387272167 /nfs/dbraw/zinc/27/21/67/1387272167.db2.gz PNXPICNEASPPGU-UHFFFAOYSA-N -1 1 333.359 3.264 10 10 EGCEMM Cc1cc(C=O)c([O-])c(C(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC001141538613 1378341770 /nfs/dbraw/zinc/34/17/70/1378341770.db2.gz RZKZOJICHFFRQD-UHFFFAOYSA-N -1 1 338.407 3.043 10 10 EGCEMM O=C(N[C@@H]1C[C@H]1c1c(F)cccc1Cl)c1c([O-])c(O)ccc1F ZINC001161230105 1382349870 /nfs/dbraw/zinc/34/98/70/1382349870.db2.gz JYXGMLWJJDSGHH-RDDDGLTNSA-N -1 1 339.725 3.315 10 10 EGCEMM O=C(NCc1cccc(Cl)c1[O-])N[C@@H]1CCO[C@H]1c1ccccc1 ZINC000896071438 1309687253 /nfs/dbraw/zinc/68/72/53/1309687253.db2.gz NJYZKKLHZNHBBL-WBVHZDCISA-N -1 1 346.814 3.375 10 10 EGCEMM O=C(c1c([O-])c(O)ccc1F)N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000899420573 1317028121 /nfs/dbraw/zinc/02/81/21/1317028121.db2.gz LXTRZTBFBGHBRS-RTHLEPHNSA-N -1 1 333.281 3.042 10 10 EGCEMM Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1cccc([O-])c1F ZINC001142419993 1378441592 /nfs/dbraw/zinc/44/15/92/1378441592.db2.gz YGEDREBBSLVRMJ-ZDUSSCGKSA-N -1 1 330.403 3.267 10 10 EGCEMM C[C@]1(CNC(=O)c2c(F)ccc(O)c2[O-])CCCc2ccccc21 ZINC001161108285 1382299635 /nfs/dbraw/zinc/29/96/35/1382299635.db2.gz MVLQQOABOVHNKD-LJQANCHMSA-N -1 1 329.371 3.261 10 10 EGCEMM Cc1cc(C(=O)NCc2cccc(Br)c2[O-])cc(C)n1 ZINC001297439755 1383161908 /nfs/dbraw/zinc/16/19/08/1383161908.db2.gz JCNAHSSXMYOIGS-UHFFFAOYSA-N -1 1 335.201 3.097 10 10 EGCEMM Cn1cc(-c2cccc(C(=O)NCc3cccc(Cl)c3[O-])c2)cn1 ZINC001180409626 1386787900 /nfs/dbraw/zinc/78/79/00/1386787900.db2.gz FRXPWZOSEVTYKQ-UHFFFAOYSA-N -1 1 341.798 3.376 10 10 EGCEMM O=C(c1ccccc1)c1cccc(NC=C2SC(=S)[N-]C2=O)c1 ZINC000006529212 452950856 /nfs/dbraw/zinc/95/08/56/452950856.db2.gz PLIXJRSVSDXJGF-UVTDQMKNSA-N -1 1 340.429 3.319 10 10 EGCEMM [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000179467335 455049927 /nfs/dbraw/zinc/04/99/27/455049927.db2.gz UJNYBLVAMXYOLM-LBPRGKRZSA-N -1 1 327.215 3.128 10 10 EGCEMM Cc1noc(C)c1COc1ccc(C=C2SC(=S)[N-]C2=O)cc1 ZINC000012592365 1291133309 /nfs/dbraw/zinc/13/33/09/1291133309.db2.gz UISFZXJHDUFEGV-AUWJEWJLSA-N -1 1 346.433 3.359 10 10 EGCEMM CC(=O)c1cc(Cl)cc(CN2CCC[C@@H]2c2ccc(=O)[nH]n2)c1[O-] ZINC000528788799 459814288 /nfs/dbraw/zinc/81/42/88/459814288.db2.gz LOBGRSXKPQLVMS-OAHLLOKOSA-N -1 1 347.802 3.081 10 10 EGCEMM CC1(C(=O)OCC(=O)c2ccc([O-])c(O)c2)CCC(F)(F)CC1 ZINC000860192741 1329170809 /nfs/dbraw/zinc/17/08/09/1329170809.db2.gz UNDBJFPMZQPLFQ-UHFFFAOYSA-N -1 1 328.311 3.039 10 10 EGCEMM COc1ccc([C@H]2CCN(C(=O)c3c(F)ccc(O)c3[O-])C2)cc1F ZINC000863945448 1329590572 /nfs/dbraw/zinc/59/05/72/1329590572.db2.gz DYFOXCKNSQWIRS-NSHDSACASA-N -1 1 349.333 3.014 10 10 EGCEMM Cc1ccnn1-c1ccc(C(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC001180400786 1386785638 /nfs/dbraw/zinc/78/56/38/1386785638.db2.gz PBOFRLCFIIRVNB-UHFFFAOYSA-N -1 1 341.798 3.470 10 10 EGCEMM O=C(CSc1nccn1-c1ccccc1)c1ccc([O-])c(O)c1 ZINC000026127875 453792997 /nfs/dbraw/zinc/79/29/97/453792997.db2.gz BHRXMOUIOHEBSS-UHFFFAOYSA-N -1 1 326.377 3.259 10 10 EGCEMM CC1(C)[C@@H](O)CCN1Cc1cc(Cl)cc(Br)c1[O-] ZINC000894813658 1309083663 /nfs/dbraw/zinc/08/36/63/1309083663.db2.gz CCXAQSOAOVKTBV-NSHDSACASA-N -1 1 334.641 3.153 10 10 EGCEMM CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1ccc([O-])c(F)c1 ZINC001135800260 1377214406 /nfs/dbraw/zinc/21/44/06/1377214406.db2.gz BVMWCNUXUZYPQG-UHFFFAOYSA-N -1 1 328.387 3.404 10 10 EGCEMM Cc1cnc(C(=O)NCc2ccc(N3CCCCC3)cc2)c([O-])c1 ZINC001142844265 1378494916 /nfs/dbraw/zinc/49/49/16/1378494916.db2.gz MVWOZUXKWHOJKE-UHFFFAOYSA-N -1 1 325.412 3.016 10 10 EGCEMM Cc1sccc1C(=O)NCc1cccc(Br)c1[O-] ZINC001156790864 1380637259 /nfs/dbraw/zinc/63/72/59/1380637259.db2.gz HDXGFEUEYKYJAG-UHFFFAOYSA-N -1 1 326.215 3.455 10 10 EGCEMM CNc1cc(C(=O)NCc2cccc(Cl)c2[O-])cc(Cl)n1 ZINC001159034575 1381526447 /nfs/dbraw/zinc/52/64/47/1381526447.db2.gz XVAWAODMTFDOAA-UHFFFAOYSA-N -1 1 326.183 3.066 10 10 EGCEMM CC(=O)c1cc(Cl)cc(CN2CCC[C@H]2c2cnn(C)c2)c1[O-] ZINC000177118103 454825375 /nfs/dbraw/zinc/82/53/75/454825375.db2.gz KGXLZTHCOIGUKY-INIZCTEOSA-N -1 1 333.819 3.319 10 10 EGCEMM COc1c2ccccc2[nH]c1C(=O)NCc1cccc(Cl)c1[O-] ZINC001159041450 1381538533 /nfs/dbraw/zinc/53/85/33/1381538533.db2.gz NPCUYDTVCHJYHN-UHFFFAOYSA-N -1 1 330.771 3.466 10 10 EGCEMM C[C@@H](CNC(=O)c1c(F)ccc(O)c1[O-])c1nc2ccccc2s1 ZINC001160999030 1382267410 /nfs/dbraw/zinc/26/74/10/1382267410.db2.gz ZYIMNZKYFUNJHW-VIFPVBQESA-N -1 1 346.383 3.380 10 10 EGCEMM CCCCS(=O)(=O)[N-]c1cccc2c1C(=O)c1ccccc1C2=O ZINC000142284593 1293858078 /nfs/dbraw/zinc/85/80/78/1293858078.db2.gz UENNPDLVPAQDFV-UHFFFAOYSA-N -1 1 343.404 3.004 10 10 EGCEMM COC[C@@H]1CCCN1Cc1cc(Cl)cc(Br)c1[O-] ZINC000708076156 1298233132 /nfs/dbraw/zinc/23/31/32/1298233132.db2.gz SVUVDOKKCTVGMY-NSHDSACASA-N -1 1 334.641 3.419 10 10 EGCEMM O=C(C=Cc1ccccc1Cl)OCC(=O)c1ccc([O-])c(O)c1 ZINC000916617448 1319685289 /nfs/dbraw/zinc/68/52/89/1319685289.db2.gz RUUJKQZTIQTYPB-SOFGYWHQSA-N -1 1 332.739 3.191 10 10 EGCEMM O=C(COC(=O)[C@@H]1CC[C@@H]1c1ccc(F)cc1)c1ccc([O-])c(O)c1 ZINC000860150881 1329160525 /nfs/dbraw/zinc/16/05/25/1329160525.db2.gz IBDNNOWYTJOCGY-HUUCEWRRSA-N -1 1 344.338 3.157 10 10 EGCEMM O=C(c1ccc(F)c([O-])c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC001295406329 1382630494 /nfs/dbraw/zinc/63/04/94/1382630494.db2.gz RLFVGXBCKRRDDR-HNNXBMFYSA-N -1 1 345.370 3.058 10 10 EGCEMM CC(=O)c1cc(Cl)cc(CN2C[C@H](C)O[C@@](C)(C(F)F)C2)c1[O-] ZINC001174726110 1385140568 /nfs/dbraw/zinc/14/05/68/1385140568.db2.gz STUVSRLWDBWGOB-XXFAHNHDSA-N -1 1 347.789 3.493 10 10 EGCEMM CCn1ncc2cc(C(=O)NCc3cccc(Cl)c3[O-])c(C)nc21 ZINC001180409838 1386787537 /nfs/dbraw/zinc/78/75/37/1386787537.db2.gz GFCWVTNTKYUFPL-UHFFFAOYSA-N -1 1 344.802 3.049 10 10 EGCEMM O=Cc1c[nH]c2cc(C(=O)NCc3cccc(Cl)c3[O-])ccc12 ZINC001180419910 1386791006 /nfs/dbraw/zinc/79/10/06/1386791006.db2.gz FNHONMOQGQFBCN-UHFFFAOYSA-N -1 1 328.755 3.269 10 10 EGCEMM CC(C)(C)c1ccc(NC(=O)NCc2cccc(Cl)c2[O-])nn1 ZINC001341442566 1390487531 /nfs/dbraw/zinc/48/75/31/1390487531.db2.gz CVOFTQQNWZZQCV-UHFFFAOYSA-N -1 1 334.807 3.455 10 10 EGCEMM CC(C)(C(=O)NCc1cccc(Br)c1[O-])C(F)(F)F ZINC001349719596 1391358670 /nfs/dbraw/zinc/35/86/70/1391358670.db2.gz NQRRSLCTYGXBOO-UHFFFAOYSA-N -1 1 340.139 3.359 10 10 EGCEMM C[C@@H](N[C@H]1CCCn2ncnc21)c1ccc(Cl)c(Cl)c1[O-] ZINC000185663496 455591574 /nfs/dbraw/zinc/59/15/74/455591574.db2.gz AFJVTCRSFSBTPI-KCJUWKMLSA-N -1 1 327.215 3.476 10 10 EGCEMM CC(=O)c1cc(Cl)cc(CN2CCC[C@H]2c2ccc(=O)[nH]n2)c1[O-] ZINC000528788797 459814326 /nfs/dbraw/zinc/81/43/26/459814326.db2.gz LOBGRSXKPQLVMS-HNNXBMFYSA-N -1 1 347.802 3.081 10 10 EGCEMM CC(=O)c1cc(Cl)cc(CNC2(c3ncccn3)CCC2)c1[O-] ZINC000880365413 1301083342 /nfs/dbraw/zinc/08/33/42/1301083342.db2.gz KACGUHRZPGJHFM-UHFFFAOYSA-N -1 1 331.803 3.207 10 10 EGCEMM O=C(CC1CCC(F)(F)CC1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000860334104 1329305816 /nfs/dbraw/zinc/30/58/16/1329305816.db2.gz IEIAIUTZMXRMHO-UHFFFAOYSA-N -1 1 328.311 3.039 10 10 EGCEMM O=C(NCc1cccc(Br)c1[O-])NC[C@]12C[C@H]1CCC2 ZINC000927706997 1328114384 /nfs/dbraw/zinc/11/43/84/1328114384.db2.gz CLCBAPUCIREAKK-ABAIWWIYSA-N -1 1 339.233 3.144 10 10 EGCEMM C[C@H](CC(=O)NCc1cccc(Br)c1[O-])C(F)(F)F ZINC000861332765 1329409421 /nfs/dbraw/zinc/40/94/21/1329409421.db2.gz VUNNCWRWVUYVRQ-SSDOTTSWSA-N -1 1 340.139 3.359 10 10 EGCEMM O=C(Nc1c(-c2ccccn2)nc2ccccn21)c1ccc(F)c([O-])c1 ZINC001160563742 1382143573 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215034614 /nfs/dbraw/zinc/03/46/14/215034614.db2.gz FESVWPFJUBUQAT-QHHAFSJGSA-N -1 1 337.331 3.343 10 10 EGCEMM CN(C)c1ccc(CN2Cc3cc(Cl)ccc3C[C@H]2C(=O)[O-])cc1 ZINC000008699749 453222500 /nfs/dbraw/zinc/22/25/00/453222500.db2.gz DMZAGJQVRLTDMY-SFHVURJKSA-N -1 1 344.842 3.418 10 10 EGCEMM Cc1ncc2c(n1)CCC[C@H]2NC(=O)NCc1cccc(Cl)c1[O-] ZINC000893064671 1305686718 /nfs/dbraw/zinc/68/67/18/1305686718.db2.gz FGKRIHQLWHLGTG-OAHLLOKOSA-N -1 1 346.818 3.021 10 10 EGCEMM C[C@@]1(CNC(=O)c2c(F)ccc(O)c2[O-])CCCc2ccccc21 ZINC001161108282 1382299788 /nfs/dbraw/zinc/29/97/88/1382299788.db2.gz MVLQQOABOVHNKD-IBGZPJMESA-N -1 1 329.371 3.261 10 10 EGCEMM CCO[C@@H]1CCCC[C@H]1NC(=O)NCc1cccc(Cl)c1[O-] ZINC000895264370 1309263584 /nfs/dbraw/zinc/26/35/84/1309263584.db2.gz IYCNGZDHUUYDPO-ZIAGYGMSSA-N -1 1 326.824 3.193 10 10 EGCEMM CC(=O)Nc1cc(C(=O)NCc2cccc(Cl)c2[O-])ccc1F ZINC001159033173 1381524271 /nfs/dbraw/zinc/52/42/71/1381524271.db2.gz CRTUXXMCFCIHKY-UHFFFAOYSA-N -1 1 336.750 3.073 10 10 EGCEMM 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O=C(NCc1cccc(Cl)c1[O-])c1scnc1C(F)(F)F ZINC001180410222 1386787960 /nfs/dbraw/zinc/78/79/60/1386787960.db2.gz MYBDOQPYRSOFHY-UHFFFAOYSA-N -1 1 336.722 3.451 10 10 EGCEMM COc1ccc(C(=O)NCc2cccc(Cl)c2[O-])c(Cl)n1 ZINC001180420762 1386792045 /nfs/dbraw/zinc/79/20/45/1386792045.db2.gz OKHGICIQCKOCQQ-UHFFFAOYSA-N -1 1 327.167 3.033 10 10 EGCEMM CC(=O)c1cc(Cl)cc(CN2CCC[C@H]2C(=O)OC(C)C)c1[O-] ZINC000177202899 1294659000 /nfs/dbraw/zinc/65/90/00/1294659000.db2.gz UWRZPUOLBVHXDQ-HNNXBMFYSA-N -1 1 339.819 3.164 10 10 EGCEMM CNc1nc(SCC(=O)c2ccc([O-])c(O)c2)nc2ccccc21 ZINC000024599146 453739745 /nfs/dbraw/zinc/73/97/45/453739745.db2.gz TUWSDHSHGJRTSJ-UHFFFAOYSA-N -1 1 341.392 3.058 10 10 EGCEMM CC(C)(C)OC(=O)[C@@H]1CC[C@@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890762523 1304873896 /nfs/dbraw/zinc/87/38/96/1304873896.db2.gz GABLUIMQVXFCKS-NWDGAFQWSA-N -1 1 339.819 3.030 10 10 EGCEMM O=C(COC(=O)[C@@H]1CC[C@H]1c1ccc(F)cc1)c1ccc([O-])c(O)c1 ZINC000860150882 1329160584 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Cc1cc(Cl)cc(C[N@H+](C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)c1O ZINC000180434186 455169182 /nfs/dbraw/zinc/16/91/82/455169182.db2.gz RSMBGRDXLQDGFG-GJZGRUSLSA-N -1 1 345.892 3.142 10 10 EGCEMM [O-]c1c(F)cc(Br)cc1CN1CCC[C@]12CCOC2 ZINC000715738573 1298285954 /nfs/dbraw/zinc/28/59/54/1298285954.db2.gz VPMHCDVPELDHIQ-CQSZACIVSA-N -1 1 330.197 3.049 10 10 EGCEMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1COCC[C@@H]1c1ccccc1 ZINC000890760933 1304872753 /nfs/dbraw/zinc/87/27/53/1304872753.db2.gz FGAXHHYEBUBAJN-HZPDHXFCSA-N -1 1 345.826 3.482 10 10 EGCEMM O=C(C=Cc1ccccc1Cl)OCC(=O)c1ccc([O-])c(O)c1 ZINC000916617449 1319685071 /nfs/dbraw/zinc/68/50/71/1319685071.db2.gz RUUJKQZTIQTYPB-VURMDHGXSA-N -1 1 332.739 3.191 10 10 EGCEMM O=[N+]([O-])c1cnc(NCc2cccc(Br)c2[O-])c(F)c1 ZINC001186359526 1387928726 /nfs/dbraw/zinc/92/87/26/1387928726.db2.gz NMCOLLXVLLJACS-UHFFFAOYSA-N -1 1 342.124 3.209 10 10 EGCEMM Cc1ccc(OC(F)F)c(CNC(=O)c2c(F)ccc(O)c2[O-])c1 ZINC001160987361 1382262396 /nfs/dbraw/zinc/26/23/96/1382262396.db2.gz 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/nfs/dbraw/zinc/35/51/33/455355133.db2.gz FZQXWQQIGWJSBU-UHFFFAOYSA-N -1 1 346.814 3.193 10 10 EGCEMM [O-]c1c(Cl)cc(Cl)cc1CN1CCS[C@H]2COCC[C@H]21 ZINC000247282068 455583120 /nfs/dbraw/zinc/58/31/20/455583120.db2.gz YQHRCTSMHBSJDX-OLZOCXBDSA-N -1 1 334.268 3.405 10 10 EGCEMM O=S(=O)([N-]c1ccc(O)c(F)c1)c1cccc(Br)c1 ZINC000085200952 1292719099 /nfs/dbraw/zinc/71/90/99/1292719099.db2.gz AZIMOYRZKKKIKI-UHFFFAOYSA-N -1 1 346.177 3.095 10 10 EGCEMM CC(C)CCO[C@H]1CC[C@H](NC(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000863939367 1329590233 /nfs/dbraw/zinc/59/02/33/1329590233.db2.gz WIWXBAKXZHNMGW-JOCQHMNTSA-N -1 1 339.407 3.341 10 10 EGCEMM Cc1csc(C(=O)NCc2cccc(Br)c2[O-])c1 ZINC001297442253 1383162281 /nfs/dbraw/zinc/16/22/81/1383162281.db2.gz YTAYFPGXGJUYSR-UHFFFAOYSA-N -1 1 326.215 3.455 10 10 EGCEMM Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1C=Nc1ccccc1C(=O)[O-] ZINC000100148573 219092342 /nfs/dbraw/zinc/09/23/42/219092342.db2.gz FKRRHOOTCPNQDI-XNTDXEJSSA-N -1 1 339.326 3.242 10 10 EGCEMM O=C1N[C@@H](c2cccc(Br)c2[O-])Nc2cc(F)ccc21 ZINC000917502120 1319823112 /nfs/dbraw/zinc/82/31/12/1319823112.db2.gz NFVMCSQFRDTVRE-ZDUSSCGKSA-N -1 1 337.148 3.148 10 10 EGCEMM O=C(COC(=O)c1cc(C2CC2)[nH]c1C1CC1)c1ccc([O-])c(O)c1 ZINC000860406294 1329313973 /nfs/dbraw/zinc/31/39/73/1329313973.db2.gz DIYMIPKHYKGAGW-UHFFFAOYSA-N -1 1 341.363 3.220 10 10 EGCEMM CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc([O-])ccc1Cl ZINC001157103235 1380776351 /nfs/dbraw/zinc/77/63/51/1380776351.db2.gz YADCGLWLNUCKGM-UHFFFAOYSA-N -1 1 326.776 3.167 10 10 EGCEMM CCCOC1(CNC(=O)c2c(F)ccc(O)c2[O-])CCCCC1 ZINC001306679528 1383901112 /nfs/dbraw/zinc/90/11/12/1383901112.db2.gz QABNBEQNKOTOFA-UHFFFAOYSA-N -1 1 325.380 3.096 10 10 EGCEMM COc1cccc(SCC(=O)NCc2cccc(Cl)c2[O-])c1 ZINC001180410452 1386787415 /nfs/dbraw/zinc/78/74/15/1386787415.db2.gz QEXYRMLBQBVOIF-UHFFFAOYSA-N -1 1 337.828 3.463 10 10 EGCEMM CSc1cccc(F)c1CNC(=O)c1c(F)ccc(O)c1[O-] ZINC001183433064 1387308283 /nfs/dbraw/zinc/30/82/83/1387308283.db2.gz REKXBKRGJJYUAB-UHFFFAOYSA-N -1 1 325.336 3.028 10 10 EGCEMM C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1cnncc1[O-] ZINC001137816645 1377621717 /nfs/dbraw/zinc/62/17/17/1377621717.db2.gz NCCVBMLWBBGFFB-CQSZACIVSA-N -1 1 349.390 3.291 10 10 EGCEMM Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1cccc([O-])c1F ZINC001142419991 1378441311 /nfs/dbraw/zinc/44/13/11/1378441311.db2.gz YGEDREBBSLVRMJ-CYBMUJFWSA-N -1 1 330.403 3.267 10 10 EGCEMM COc1ccc(O)c([C@@H](C)NC(=O)c2ncc3ccccc3c2[O-])c1 ZINC001150542854 1379565138 /nfs/dbraw/zinc/56/51/38/1379565138.db2.gz FTWDXRCMFXTRKO-LLVKDONJSA-N -1 1 338.363 3.146 10 10 EGCEMM COc1cc(Cl)cc(C[N@@H+]2CCC3(C2)Oc2ccccc2O3)c1O ZINC000290222450 456270021 /nfs/dbraw/zinc/27/00/21/456270021.db2.gz RTOOFCVOZSIMMS-UHFFFAOYSA-N -1 1 347.798 3.428 10 10 EGCEMM O=C(Cc1ccc([O-])c(Cl)c1)NCc1ccc2cccnc2c1O ZINC001162613164 1382809656 /nfs/dbraw/zinc/80/96/56/1382809656.db2.gz XUQXDAVEIRALBI-UHFFFAOYSA-N -1 1 342.782 3.158 10 10 EGCEMM O=C(NCc1cccc(Cl)c1[O-])c1c[nH]c2cc(=O)ccc-2c1 ZINC001180419628 1386791208 /nfs/dbraw/zinc/79/12/08/1386791208.db2.gz BMHUVNSQSRNJEG-UHFFFAOYSA-N -1 1 328.755 3.229 10 10 EGCEMM CN(C)c1ccc(CN2Cc3cc(Cl)ccc3C[C@@H]2C(=O)[O-])cc1 ZINC000008698965 282289888 /nfs/dbraw/zinc/28/98/88/282289888.db2.gz DMZAGJQVRLTDMY-GOSISDBHSA-N -1 1 344.842 3.418 10 10 EGCEMM CC1(CNC(=O)NCc2cccc(Br)c2[O-])CCC1 ZINC000277409903 456814971 /nfs/dbraw/zinc/81/49/71/456814971.db2.gz KJPOQJADTJWPGB-UHFFFAOYSA-N -1 1 327.222 3.144 10 10 EGCEMM O=C1N[C@H](c2cccc(Br)c2[O-])Nc2cc(F)ccc21 ZINC000917502119 1319823240 /nfs/dbraw/zinc/82/32/40/1319823240.db2.gz NFVMCSQFRDTVRE-CYBMUJFWSA-N -1 1 337.148 3.148 10 10 EGCEMM COc1ccc(O)c([C@@H](C)NC(=O)Cc2ccc([O-])c(Cl)c2)c1 ZINC001137473291 1377553976 /nfs/dbraw/zinc/55/39/76/1377553976.db2.gz FBOADEMTKIPPJN-SNVBAGLBSA-N -1 1 335.787 3.180 10 10 EGCEMM CC(=O)N1CCN(Cc2ccc(F)c(F)c2[O-])CC12CCCCC2 ZINC000876803293 1298995854 /nfs/dbraw/zinc/99/58/54/1298995854.db2.gz DGVLPCTUGISOBK-UHFFFAOYSA-N -1 1 338.398 3.037 10 10 EGCEMM O=C(Nc1c(-c2ccccn2)nc2ccccn21)c1ccc([O-])c(F)c1 ZINC001160562872 1382142635 /nfs/dbraw/zinc/14/26/35/1382142635.db2.gz IAELNABQFZFITJ-UHFFFAOYSA-N -1 1 348.337 3.493 10 10 EGCEMM C[C@H](CNC(=O)c1c(F)ccc(O)c1[O-])c1nc2ccccc2s1 ZINC001160999029 1382267695 /nfs/dbraw/zinc/26/76/95/1382267695.db2.gz ZYIMNZKYFUNJHW-SECBINFHSA-N -1 1 346.383 3.380 10 10 EGCEMM O=C(c1ccc(F)c([O-])c1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC001295406331 1382630642 /nfs/dbraw/zinc/63/06/42/1382630642.db2.gz RLFVGXBCKRRDDR-OAHLLOKOSA-N -1 1 345.370 3.058 10 10 EGCEMM CCc1ccc2c(c1)[C@@H](NC(=O)c1c(F)ccc(O)c1[O-])CCO2 ZINC001306823998 1383907366 /nfs/dbraw/zinc/90/73/66/1383907366.db2.gz GFYWLEDMQFSBMH-ZDUSSCGKSA-N -1 1 331.343 3.053 10 10 EGCEMM CC1(C)[C@H](O)CCN1Cc1cc(Cl)cc(Br)c1[O-] ZINC000894813656 1309085094 /nfs/dbraw/zinc/08/50/94/1309085094.db2.gz CCXAQSOAOVKTBV-LLVKDONJSA-N -1 1 334.641 3.153 10 10 EGCEMM O=C(NCc1cccc(Cl)c1[O-])c1ccccc1-n1cccn1 ZINC001159033743 1381526627 /nfs/dbraw/zinc/52/66/27/1381526627.db2.gz NHLQVFLGWJWTED-UHFFFAOYSA-N -1 1 327.771 3.161 10 10 EGCEMM O=C(NCc1cccc(Cl)c1[O-])c1cc(-c2cccnc2)on1 ZINC001180409583 1386787402 /nfs/dbraw/zinc/78/74/02/1386787402.db2.gz DDMNBPRUVQXVKU-UHFFFAOYSA-N -1 1 329.743 3.026 10 10 EGCEMM CCOCCCCCC(=O)NCc1cccc(Br)c1[O-] ZINC000867830689 1330222755 /nfs/dbraw/zinc/22/27/55/1330222755.db2.gz FXTPENJQXUECEM-UHFFFAOYSA-N -1 1 344.249 3.368 10 10 EGCEMM COc1cc(C(F)(F)F)nc(NCc2cccc(Cl)c2[O-])n1 ZINC001307230596 1383961906 /nfs/dbraw/zinc/96/19/06/1383961906.db2.gz YPPLQZUMFWLKLM-UHFFFAOYSA-N -1 1 333.697 3.475 10 10 EGCEMM Cc1nc(C[C@@H]2CCC[N@@H+](Cc3c(O)ccc(Cl)c3F)C2)no1 ZINC000191305168 455476025 /nfs/dbraw/zinc/47/60/25/455476025.db2.gz YTQIOBOBDZCXTR-NSHDSACASA-N -1 1 339.798 3.331 10 10 EGCEMM COc1cccc(N=Nc2c(=O)[n-]n3c2[nH]c2c(c3=O)CCCC2)c1 ZINC000334159049 456308859 /nfs/dbraw/zinc/30/88/59/456308859.db2.gz JCVAGZLMOZTQMN-UHFFFAOYSA-N -1 1 339.355 3.031 10 10 EGCEMM CCCO[C@@H]1CCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000715818176 1298289177 /nfs/dbraw/zinc/28/91/77/1298289177.db2.gz MTHOGWFMFCWMIF-GFCCVEGCSA-N -1 1 332.213 3.295 10 10 EGCEMM O=C(NCc1cccc(Cl)c1[O-])Nc1ccc(N2CCCC2)nc1 ZINC000929675974 1328665438 /nfs/dbraw/zinc/66/54/38/1328665438.db2.gz LNKBEZADZIEVCU-UHFFFAOYSA-N -1 1 346.818 3.363 10 10 EGCEMM CC(=O)c1cc(Cl)cc(CN2CCC[C@@H]2c2ccnn2C)c1[O-] ZINC000932267898 1329801807 /nfs/dbraw/zinc/80/18/07/1329801807.db2.gz HGFUIVJFUMNCLP-MRXNPFEDSA-N -1 1 333.819 3.319 10 10 EGCEMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1CCOc2c(F)cccc21 ZINC001159041625 1381537520 /nfs/dbraw/zinc/53/75/20/1381537520.db2.gz VDFXOZPTWIKIJB-GFCCVEGCSA-N -1 1 335.762 3.367 10 10 EGCEMM O=C(NCc1cccc(Br)c1[O-])N[C@@H]1CCCC[C@@H]1F ZINC000868921546 1330374363 /nfs/dbraw/zinc/37/43/63/1330374363.db2.gz SPHYXJVXUZFOLZ-NWDGAFQWSA-N -1 1 345.212 3.235 10 10 EGCEMM O=C(NCc1cccc(Cl)c1[O-])c1cc2ccccc2[nH]c1=O ZINC001180409889 1386787560 /nfs/dbraw/zinc/78/75/60/1386787560.db2.gz HTRFHCRJAVRMFY-UHFFFAOYSA-N -1 1 328.755 3.229 10 10 EGCEMM O=C(NCc1noc2ccc(F)cc12)NCc1cccc(Cl)c1[O-] ZINC001687368577 1396354250 /nfs/dbraw/zinc/35/42/50/1396354250.db2.gz ULEGZFKWWFWHSI-UHFFFAOYSA-N -1 1 349.749 3.325 10 10 EGCEMM Cc1cc(Cl)cc(C[N@H+]2CCSC[C@@H]2c2cnn(C)c2)c1O ZINC000191734977 455515733 /nfs/dbraw/zinc/51/57/33/455515733.db2.gz MSZGEUNJNQAABE-OAHLLOKOSA-N -1 1 337.876 3.378 10 10 EGCEMM O=C(c1c([O-])c(O)ccc1F)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000296116088 455869402 /nfs/dbraw/zinc/86/94/02/455869402.db2.gz RQZOYSQOCSJZCC-LLVKDONJSA-N -1 1 347.308 3.432 10 10 EGCEMM C[C@@H]1CC=CC[C@H]1NC(=O)NCc1cccc(Br)c1[O-] ZINC000898883882 1310861813 /nfs/dbraw/zinc/86/18/13/1310861813.db2.gz AMKCJKZSNKHJDL-ZWNOBZJWSA-N -1 1 339.233 3.309 10 10 EGCEMM O=C([O-])[C@H](CC1CCCC1)[NH2+]Cc1c([O-])cccc1Br ZINC000864509596 1329620212 /nfs/dbraw/zinc/62/02/12/1329620212.db2.gz ODKWWGCRDUPDNJ-ZDUSSCGKSA-N -1 1 342.233 3.278 10 10 EGCEMM C[C@H](NC(=O)c1ccc(Br)cc1[O-])c1ccccc1O ZINC001151891868 1379811729 /nfs/dbraw/zinc/81/17/29/1379811729.db2.gz CDJIGAVXNJZRHF-VIFPVBQESA-N -1 1 336.185 3.351 10 10 EGCEMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001159041386 1381536342 /nfs/dbraw/zinc/53/63/42/1381536342.db2.gz KXWCHPPROOSILO-UONOGXRCSA-N -1 1 346.770 3.374 10 10 EGCEMM O=C(NCc1cccc(Cl)c1[O-])c1cncnc1-c1ccccc1 ZINC001180410496 1386787776 /nfs/dbraw/zinc/78/77/76/1386787776.db2.gz QPOLZYLXYLBDOO-UHFFFAOYSA-N -1 1 339.782 3.433 10 10 EGCEMM CC1(C)C(=O)Nc2ccc(C(=O)NCc3cccc(Cl)c3[O-])cc21 ZINC001180411342 1386788534 /nfs/dbraw/zinc/78/85/34/1386788534.db2.gz WSSFVZJYTNWSQG-UHFFFAOYSA-N -1 1 344.798 3.205 10 10 EGCEMM Cc1cnn(CC2CC2)c1NC(=O)NCc1cccc(Cl)c1[O-] ZINC001334640840 1390563259 /nfs/dbraw/zinc/56/32/59/1390563259.db2.gz POTXSQNESOJPFP-UHFFFAOYSA-N -1 1 334.807 3.282 10 10 EGCEMM C[C@H](O)C1CCN(Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000893995595 1306169270 /nfs/dbraw/zinc/16/92/70/1306169270.db2.gz XCHADAPWFKLALO-VIFPVBQESA-N -1 1 348.668 3.401 10 10 EGCEMM O=C(NCc1cccc(Br)c1[O-])C1(C(F)F)CCC1 ZINC000867831230 1330222616 /nfs/dbraw/zinc/22/26/16/1330222616.db2.gz SPPHYHCPQXSGRK-UHFFFAOYSA-N -1 1 334.160 3.206 10 10 EGCEMM O=C(NCc1cccc(Cl)c1[O-])c1cc(-c2ccccn2)no1 ZINC001159033932 1381528172 /nfs/dbraw/zinc/52/81/72/1381528172.db2.gz OJUSGNMOQVVWOD-UHFFFAOYSA-N -1 1 329.743 3.026 10 10 EGCEMM CN(C)c1ccc(CN(C(=O)c2ccc([O-])cc2F)C2CC2)cc1 ZINC001290740444 1382106501 /nfs/dbraw/zinc/10/65/01/1382106501.db2.gz VWZIDBVFNDSKDG-UHFFFAOYSA-N -1 1 328.387 3.402 10 10 EGCEMM CC(=O)c1cc(Cl)cc(CN2C[C@H](C)O[C@](C)(C(F)F)C2)c1[O-] ZINC001174726106 1385140510 /nfs/dbraw/zinc/14/05/10/1385140510.db2.gz STUVSRLWDBWGOB-FVMDXXJSSA-N -1 1 347.789 3.493 10 10 EGCEMM O=C(NCc1cccc(Cl)c1[O-])c1csc(Br)n1 ZINC001180421126 1386792174 /nfs/dbraw/zinc/79/21/74/1386792174.db2.gz WWTLSKHGJTYJCX-UHFFFAOYSA-N -1 1 347.621 3.195 10 10 EGCEMM COCCOc1ccc(C[NH2+]Cc2cc(Cl)c(F)cc2O)cc1 ZINC000294477537 455817289 /nfs/dbraw/zinc/81/72/89/455817289.db2.gz ZTEZDAJPCOFOOR-UHFFFAOYSA-N -1 1 339.794 3.500 10 10 EGCEMM COC[C@H]1CCCN1Cc1cc(Cl)cc(Br)c1[O-] ZINC000708076153 1298233970 /nfs/dbraw/zinc/23/39/70/1298233970.db2.gz SVUVDOKKCTVGMY-LLVKDONJSA-N -1 1 334.641 3.419 10 10 EGCEMM [O-]c1ccc(Br)cc1C[N@H+]1CCC[C@H](c2ccncn2)C1 ZINC000371411994 457916015 /nfs/dbraw/zinc/91/60/15/457916015.db2.gz RHGOZRAMFNDLGP-LBPRGKRZSA-N -1 1 348.244 3.324 10 10 EGCEMM CCO[C@H]1CCCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000715737416 1298286725 /nfs/dbraw/zinc/28/67/25/1298286725.db2.gz IZOIPSGKAFZZLB-LBPRGKRZSA-N -1 1 332.213 3.295 10 10 EGCEMM O=C(NCc1cccc(Br)c1[O-])[C@H]1CCC[C@@H](F)C1 ZINC001118093115 1371130989 /nfs/dbraw/zinc/13/09/89/1371130989.db2.gz MUAJGMOABAUQLQ-GXSJLCMTSA-N -1 1 330.197 3.299 10 10 EGCEMM CN(c1ccc(CNC(=O)c2ncccc2[O-])cc1)C1CCCCC1 ZINC001142528326 1378454438 /nfs/dbraw/zinc/45/44/38/1378454438.db2.gz RYMGXCGXBCWWSA-UHFFFAOYSA-N -1 1 339.439 3.486 10 10 EGCEMM COc1ccccc1[C@@H]1C[C@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890761389 1304872658 /nfs/dbraw/zinc/87/26/58/1304872658.db2.gz QEIJYDAGPYFZHT-UONOGXRCSA-N -1 1 331.799 3.474 10 10 EGCEMM C[C@@H](CC(=O)NCc1cccc(Br)c1[O-])C(F)(F)F ZINC000861332766 1329409550 /nfs/dbraw/zinc/40/95/50/1329409550.db2.gz VUNNCWRWVUYVRQ-ZETCQYMHSA-N -1 1 340.139 3.359 10 10 EGCEMM O=C(NCc1cccc(Br)c1[O-])N[C@@H]1CCCC12CC2 ZINC000868846536 1330359798 /nfs/dbraw/zinc/35/97/98/1330359798.db2.gz MTFHJTXNLAZHLW-GFCCVEGCSA-N -1 1 339.233 3.287 10 10 EGCEMM O=C(Cc1ccc2cnccc2c1)NCc1cccc(Cl)c1[O-] ZINC001159041421 1381536031 /nfs/dbraw/zinc/53/60/31/1381536031.db2.gz MBMNOAQMLNBYSP-UHFFFAOYSA-N -1 1 326.783 3.453 10 10 EGCEMM O=C(NCc1cccc(Cl)c1[O-])[C@H]1CCOc2c(F)cccc21 ZINC001159041626 1381536710 /nfs/dbraw/zinc/53/67/10/1381536710.db2.gz VDFXOZPTWIKIJB-LBPRGKRZSA-N -1 1 335.762 3.367 10 10 EGCEMM O=C(NCc1cccc(Cl)c1[O-])[C@H](CCCO)c1ccccc1 ZINC001349587832 1391343376 /nfs/dbraw/zinc/34/33/76/1391343376.db2.gz NAECUHILGBOUMU-OAHLLOKOSA-N -1 1 333.815 3.218 10 10 EGCEMM [O-]c1cc(F)c(Cl)cc1CNc1cc(CSCCO)ccn1 ZINC000293615059 455792699 /nfs/dbraw/zinc/79/26/99/455792699.db2.gz MCVAMIOEEWKJOU-UHFFFAOYSA-N -1 1 342.823 3.417 10 10 EGCEMM COc1c([O-])c(CN2CCC[C@@H]2c2csc(C)n2)ccc1[N+](=O)[O-] ZINC000278435431 455836400 /nfs/dbraw/zinc/83/64/00/455836400.db2.gz USGKDTNDYJTKBL-CYBMUJFWSA-N -1 1 349.412 3.411 10 10 EGCEMM CO[C@]1(C(F)(F)F)CCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000895577047 1309409594 /nfs/dbraw/zinc/40/95/94/1309409594.db2.gz GFEOKKIVQAYDRU-GFCCVEGCSA-N -1 1 327.705 3.338 10 10 EGCEMM Cn1cc(C(=O)NCc2cccc(Cl)c2[O-])c(-c2ccccc2)n1 ZINC001159034392 1381529093 /nfs/dbraw/zinc/52/90/93/1381529093.db2.gz UJWMWYBIKCLUNI-UHFFFAOYSA-N -1 1 341.798 3.376 10 10 EGCEMM CC(C)C(=O)N1CCN(Cc2cc(Cl)c3ccccc3c2[O-])CC1 ZINC000012941390 453429175 /nfs/dbraw/zinc/42/91/75/453429175.db2.gz DZYKVVCDTKKWJK-UHFFFAOYSA-N -1 1 346.858 3.499 10 10 EGCEMM CCCc1nnc(NC(=O)NCc2cccc(Cl)c2[O-])s1 ZINC000929339283 1328572543 /nfs/dbraw/zinc/57/25/43/1328572543.db2.gz FVUUISIXWFRPQZ-UHFFFAOYSA-N -1 1 326.809 3.171 10 10 EGCEMM O=C(CCNc1ccccc1[N+](=O)[O-])NCc1cccc(Cl)c1[O-] ZINC001159034191 1381527127 /nfs/dbraw/zinc/52/71/27/1381527127.db2.gz SBLFFBGUGAVWGB-UHFFFAOYSA-N -1 1 349.774 3.072 10 10 EGCEMM O=C(NCc1cccc(Cl)c1[O-])c1ccn(-c2ccccc2)n1 ZINC001180409551 1386787359 /nfs/dbraw/zinc/78/73/59/1386787359.db2.gz BIWPTUAYJUSTMP-UHFFFAOYSA-N -1 1 327.771 3.161 10 10 EGCEMM O=C(Nc1cc(=O)n(-c2ccccc2)[n-]1)Nc1ccccc1Cl ZINC000028225647 283914379 /nfs/dbraw/zinc/91/43/79/283914379.db2.gz GQCMWSDMMYFHGL-UHFFFAOYSA-N -1 1 328.759 3.212 10 10 EGCEMM COc1ccc([C@@H]2C[C@H]2C(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC000890760852 1304872631 /nfs/dbraw/zinc/87/26/31/1304872631.db2.gz BCMQBJBMYZPCPK-LSDHHAIUSA-N -1 1 331.799 3.474 10 10 EGCEMM O=C(NCc1cccc(Br)c1[O-])[C@H]1CCC[C@H](F)C1 ZINC001118093125 1371131107 /nfs/dbraw/zinc/13/11/07/1371131107.db2.gz MUAJGMOABAUQLQ-ONGXEEELSA-N -1 1 330.197 3.299 10 10 EGCEMM O=C(NCCc1ccc(F)cc1Cl)c1c([O-])c(O)ccc1F ZINC001306539451 1383895432 /nfs/dbraw/zinc/89/54/32/1383895432.db2.gz OZYDWNMZZJWFOW-UHFFFAOYSA-N -1 1 327.714 3.002 10 10 EGCEMM CC(C)(CNC(=O)NCc1cccc(Br)c1[O-])C1CC1 ZINC001687729573 1396473514 /nfs/dbraw/zinc/47/35/14/1396473514.db2.gz JTNFYSYCFKTLAR-UHFFFAOYSA-N -1 1 341.249 3.390 10 10 EGCEMM CCOc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(F)cc1C ZINC000189421600 1295520672 /nfs/dbraw/zinc/52/06/72/1295520672.db2.gz DMKZILIXRVXFEW-UHFFFAOYSA-N -1 1 325.361 3.039 10 10 EGCEMM CC(=O)c1cc(Cl)cc(CN2CCO[C@H](C(F)F)CC2)c1[O-] ZINC000872269955 1296873855 /nfs/dbraw/zinc/87/38/55/1296873855.db2.gz UVQRGUKZEBTAJR-ZDUSSCGKSA-N -1 1 333.762 3.104 10 10 EGCEMM CC(C)[C@H](C)NC(=O)C1CC[NH+](Cc2cc(F)cc(F)c2O)CC1 ZINC000893987284 1306165150 /nfs/dbraw/zinc/16/51/50/1306165150.db2.gz QJUHHSBNZPOKTP-LBPRGKRZSA-N -1 1 340.414 3.043 10 10 EGCEMM O=C(COC(=O)C1CCc2ccccc2CC1)c1ccc([O-])c(O)c1 ZINC000859823486 1329087908 /nfs/dbraw/zinc/08/79/08/1329087908.db2.gz HFRVLNDOOVNNLL-UHFFFAOYSA-N -1 1 340.375 3.019 10 10 EGCEMM [O-]c1c(Br)cccc1CNc1ccc(N2CCCC2)nn1 ZINC000865728895 1329733367 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